data_18210 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18210 _Entry.PDB_ID 2LOE save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18210 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.367 -0.198 18210 2 1 1 . 1 1 2 2 LYS C C 2 176.160 176.160 175.988 0.172 18210 3 1 1 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.837 0.128 18210 4 1 1 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.286 -0.021 18210 5 1 1 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.192 -0.279 18210 6 1 1 . 1 1 3 3 VAL C C 3 175.820 175.820 175.432 0.388 18210 7 1 1 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.121 1.367 18210 8 1 1 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.699 0.081 18210 9 1 1 . 1 1 4 4 LYS N N 4 129.029 129.029 128.098 0.931 18210 10 1 1 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.547 -0.040 18210 11 1 1 . 1 1 4 4 LYS C C 4 174.923 174.923 175.809 -0.886 18210 12 1 1 . 1 1 4 4 LYS CA C 4 57.303 57.303 55.958 1.345 18210 13 1 1 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.099 0.152 18210 14 1 1 . 1 1 4 4 LYS H H 4 8.507 8.507 8.404 0.103 18210 15 1 1 . 1 1 5 5 GLY N N 5 110.242 110.242 109.765 0.477 18210 16 1 1 . 1 1 5 5 GLY C C 5 173.333 173.333 171.864 1.469 18210 17 1 1 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.523 0.741 18210 18 1 1 . 1 1 5 5 GLY H H 5 8.138 8.138 8.101 0.037 18210 19 1 1 . 1 1 6 6 CYS N N 6 114.306 114.306 120.298 -5.992 18210 20 1 1 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.267 -0.016 18210 21 1 1 . 1 1 6 6 CYS C C 6 170.891 170.891 173.085 -2.194 18210 22 1 1 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.099 -2.249 18210 23 1 1 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.245 21.905 18210 24 1 1 . 1 1 6 6 CYS H H 6 6.750 6.750 8.363 -1.613 18210 25 1 1 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.951 -0.203 18210 26 1 1 . 1 1 7 7 ASP C C 7 175.607 175.607 175.577 0.030 18210 27 1 1 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.354 -0.116 18210 28 1 1 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.259 -0.642 18210 29 1 1 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.543 0.334 18210 30 1 1 . 1 1 8 8 PHE C C 8 173.972 173.972 175.686 -1.714 18210 31 1 1 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.542 0.913 18210 32 1 1 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.605 0.614 18210 33 1 1 . 1 1 9 9 THR N N 9 105.421 105.421 112.518 -7.097 18210 34 1 1 . 1 1 9 9 THR HA H 9 4.611 4.611 4.512 0.099 18210 35 1 1 . 1 1 9 9 THR C C 9 174.505 174.505 174.389 0.116 18210 36 1 1 . 1 1 9 9 THR CA C 9 61.988 61.988 62.549 -0.561 18210 37 1 1 . 1 1 9 9 THR CB C 9 70.385 70.385 70.324 0.061 18210 38 1 1 . 1 1 9 9 THR H H 9 8.996 8.996 8.458 0.538 18210 39 1 1 . 1 1 10 10 THR N N 10 118.757 118.757 117.306 1.451 18210 40 1 1 . 1 1 10 10 THR HA H 10 4.526 4.526 4.623 -0.097 18210 41 1 1 . 1 1 10 10 THR C C 10 171.202 171.202 174.241 -3.039 18210 42 1 1 . 1 1 10 10 THR CA C 10 60.774 60.774 61.737 -0.964 18210 43 1 1 . 1 1 10 10 THR CB C 10 68.040 68.040 71.602 -3.562 18210 44 1 1 . 1 1 10 10 THR H H 10 7.199 7.199 7.596 -0.397 18210 45 1 1 . 1 1 11 11 SER N N 11 117.117 117.117 119.977 -2.860 18210 46 1 1 . 1 1 11 11 SER HA H 11 3.907 3.907 4.334 -0.427 18210 47 1 1 . 1 1 11 11 SER C C 11 174.988 174.988 174.739 0.249 18210 48 1 1 . 1 1 11 11 SER CA C 11 59.563 59.563 61.475 -1.912 18210 49 1 1 . 1 1 11 11 SER CB C 11 63.599 63.599 63.593 0.006 18210 50 1 1 . 1 1 11 11 SER H H 11 7.997 7.997 8.701 -0.704 18210 51 1 1 . 1 1 12 12 GLU N N 12 125.013 125.013 119.154 5.859 18210 52 1 1 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.452 0.113 18210 53 1 1 . 1 1 12 12 GLU C C 12 175.108 175.108 174.961 0.147 18210 54 1 1 . 1 1 12 12 GLU CA C 12 54.259 54.259 54.798 -0.539 18210 55 1 1 . 1 1 12 12 GLU CB C 12 28.928 28.928 29.372 -0.444 18210 56 1 1 . 1 1 12 12 GLU H H 12 8.375 8.375 8.262 0.113 18210 57 1 1 . 1 1 13 13 SER N N 13 114.959 114.959 118.293 -3.334 18210 58 1 1 . 1 1 13 13 SER HA H 13 4.130 4.130 4.486 -0.356 18210 59 1 1 . 1 1 13 13 SER C C 13 176.833 176.833 175.056 1.777 18210 60 1 1 . 1 1 13 13 SER CA C 13 58.707 58.707 58.525 0.182 18210 61 1 1 . 1 1 13 13 SER CB C 13 63.598 63.598 63.462 0.136 18210 62 1 1 . 1 1 13 13 SER H H 13 7.879 7.879 8.169 -0.290 18210 63 1 1 . 1 1 14 14 THR N N 14 117.688 117.688 118.579 -0.891 18210 64 1 1 . 1 1 14 14 THR HA H 14 4.348 4.348 4.247 0.101 18210 65 1 1 . 1 1 14 14 THR C C 14 174.550 174.550 174.485 0.065 18210 66 1 1 . 1 1 14 14 THR CA C 14 62.435 62.435 63.949 -1.514 18210 67 1 1 . 1 1 14 14 THR CB C 14 69.114 69.114 68.891 0.223 18210 68 1 1 . 1 1 14 14 THR H H 14 8.978 8.978 8.637 0.341 18210 69 1 1 . 1 1 15 15 ILE N N 15 118.851 118.851 111.105 7.746 18210 70 1 1 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.161 -0.123 18210 71 1 1 . 1 1 15 15 ILE C C 15 175.389 175.389 174.069 1.320 18210 72 1 1 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.953 1.747 18210 73 1 1 . 1 1 15 15 ILE CB C 15 41.447 41.447 38.974 2.473 18210 74 1 1 . 1 1 15 15 ILE H H 15 7.947 7.947 7.529 0.418 18210 75 1 1 . 1 1 16 16 PHE N N 16 116.409 116.409 118.469 -2.060 18210 76 1 1 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.504 0.014 18210 77 1 1 . 1 1 16 16 PHE C C 16 176.700 176.700 176.039 0.661 18210 78 1 1 . 1 1 16 16 PHE CA C 16 57.462 57.462 57.259 0.203 18210 79 1 1 . 1 1 16 16 PHE CB C 16 42.712 42.712 40.719 1.993 18210 80 1 1 . 1 1 16 16 PHE H H 16 7.792 7.792 7.455 0.337 18210 81 1 1 . 1 1 17 17 SER N N 17 114.126 114.126 115.674 -1.548 18210 82 1 1 . 1 1 17 17 SER HA H 17 3.984 3.984 4.394 -0.410 18210 83 1 1 . 1 1 17 17 SER C C 17 174.203 174.203 174.714 -0.511 18210 84 1 1 . 1 1 17 17 SER CA C 17 61.176 61.176 60.073 1.103 18210 85 1 1 . 1 1 17 17 SER CB C 17 63.438 63.438 64.025 -0.587 18210 86 1 1 . 1 1 17 17 SER H H 17 8.666 8.666 8.923 -0.257 18210 87 1 1 . 1 1 18 18 LYS N N 18 122.828 122.828 120.956 1.872 18210 88 1 1 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.551 0.207 18210 89 1 1 . 1 1 18 18 LYS C C 18 174.029 174.029 175.024 -0.995 18210 90 1 1 . 1 1 18 18 LYS CA C 18 55.661 55.661 54.687 0.974 18210 91 1 1 . 1 1 18 18 LYS CB C 18 35.049 35.049 34.514 0.535 18210 92 1 1 . 1 1 18 18 LYS H H 18 8.031 8.031 7.665 0.366 18210 93 1 1 . 1 1 19 19 GLY N N 19 112.051 112.051 109.490 2.561 18210 94 1 1 . 1 1 19 19 GLY C C 19 172.307 172.307 172.647 -0.340 18210 95 1 1 . 1 1 19 19 GLY CA C 19 44.946 44.946 44.730 0.216 18210 96 1 1 . 1 1 19 19 GLY H H 19 8.092 8.092 8.137 -0.045 18210 97 1 1 . 1 1 20 20 TYR N N 20 120.060 120.060 119.991 0.069 18210 98 1 1 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.674 -0.104 18210 99 1 1 . 1 1 20 20 TYR C C 20 173.557 173.557 174.685 -1.128 18210 100 1 1 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.093 0.419 18210 101 1 1 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.784 0.307 18210 102 1 1 . 1 1 20 20 TYR H H 20 7.968 7.968 8.695 -0.727 18210 103 1 1 . 1 1 21 21 SER N N 21 115.201 115.201 114.845 0.356 18210 104 1 1 . 1 1 21 21 SER HA H 21 4.562 4.562 4.829 -0.267 18210 105 1 1 . 1 1 21 21 SER C C 21 176.172 176.172 176.349 -0.177 18210 106 1 1 . 1 1 21 21 SER CA C 21 56.537 56.537 55.581 0.956 18210 107 1 1 . 1 1 21 21 SER CB C 21 65.257 65.257 65.408 -0.151 18210 108 1 1 . 1 1 21 21 SER H H 21 8.761 8.761 8.304 0.457 18210 109 1 1 . 1 1 22 22 ILE N N 22 122.867 122.867 120.669 2.198 18210 110 1 1 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.987 0.172 18210 111 1 1 . 1 1 22 22 ILE C C 22 177.561 177.561 176.241 1.320 18210 112 1 1 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.470 -0.757 18210 113 1 1 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.785 0.070 18210 114 1 1 . 1 1 22 22 ILE H H 22 8.646 8.646 8.650 -0.004 18210 115 1 1 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.518 0.027 18210 116 1 1 . 1 1 23 23 ASN C C 23 176.647 176.647 177.734 -1.087 18210 117 1 1 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.504 0.002 18210 118 1 1 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.684 -0.231 18210 119 1 1 . 1 1 24 24 GLU N N 24 118.601 118.601 120.762 -2.161 18210 120 1 1 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.027 0.259 18210 121 1 1 . 1 1 24 24 GLU C C 24 177.998 177.998 178.576 -0.578 18210 122 1 1 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.355 -1.049 18210 123 1 1 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.458 1.200 18210 124 1 1 . 1 1 24 24 GLU H H 24 7.837 7.837 8.439 -0.602 18210 125 1 1 . 1 1 25 25 ILE HA H 25 4.173 4.173 3.978 0.195 18210 126 1 1 . 1 1 25 25 ILE C C 25 176.641 176.641 176.581 0.060 18210 127 1 1 . 1 1 25 25 ILE CA C 25 62.612 62.612 63.488 -0.876 18210 128 1 1 . 1 1 25 25 ILE CB C 25 38.360 38.360 37.685 0.675 18210 129 1 1 . 1 1 26 26 SER N N 26 116.293 116.293 114.205 2.088 18210 130 1 1 . 1 1 26 26 SER HA H 26 4.663 4.663 4.416 0.247 18210 131 1 1 . 1 1 26 26 SER C C 26 174.462 174.462 175.000 -0.538 18210 132 1 1 . 1 1 26 26 SER CA C 26 58.392 58.392 59.835 -1.443 18210 133 1 1 . 1 1 26 26 SER CB C 26 64.380 64.380 64.833 -0.453 18210 134 1 1 . 1 1 26 26 SER H H 26 7.813 7.813 8.290 -0.477 18210 135 1 1 . 1 1 27 27 ASN N N 27 121.919 121.919 120.981 0.938 18210 136 1 1 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.901 -0.180 18210 137 1 1 . 1 1 27 27 ASN C C 27 175.869 175.869 174.893 0.976 18210 138 1 1 . 1 1 27 27 ASN CA C 27 54.010 54.010 54.085 -0.075 18210 139 1 1 . 1 1 27 27 ASN CB C 27 38.640 38.640 40.465 -1.825 18210 140 1 1 . 1 1 27 27 ASN H H 27 8.521 8.521 8.127 0.394 18210 141 1 1 . 1 1 28 28 LYS N N 28 121.697 121.697 122.846 -1.149 18210 142 1 1 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.196 0.164 18210 143 1 1 . 1 1 28 28 LYS C C 28 176.952 176.952 176.171 0.781 18210 144 1 1 . 1 1 28 28 LYS CA C 28 56.967 56.967 56.672 0.295 18210 145 1 1 . 1 1 28 28 LYS CB C 28 32.730 32.730 30.750 1.980 18210 146 1 1 . 1 1 28 28 LYS H H 28 8.367 8.367 8.416 -0.049 18210 147 1 1 . 1 1 29 29 SER HA H 29 4.498 4.498 4.400 0.098 18210 148 1 1 . 1 1 29 29 SER C C 29 174.741 174.741 175.121 -0.380 18210 149 1 1 . 1 1 29 29 SER CA C 29 58.557 58.557 59.575 -1.018 18210 150 1 1 . 1 1 29 29 SER CB C 29 63.945 63.945 64.030 -0.085 18210 151 1 1 . 1 1 30 30 SER N N 30 116.470 116.470 117.085 -0.615 18210 152 1 1 . 1 1 30 30 SER HA H 30 4.429 4.429 4.375 0.054 18210 153 1 1 . 1 1 30 30 SER C C 30 174.467 174.467 174.965 -0.498 18210 154 1 1 . 1 1 30 30 SER CA C 30 58.616 58.616 61.035 -2.419 18210 155 1 1 . 1 1 30 30 SER CB C 30 63.834 63.834 63.521 0.313 18210 156 1 1 . 1 1 30 30 SER H H 30 8.140 8.140 8.681 -0.541 18210 157 1 1 . 1 1 31 31 ASN N N 31 119.457 119.457 118.221 1.236 18210 158 1 1 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.761 -0.064 18210 159 1 1 . 1 1 31 31 ASN C C 31 174.930 174.930 176.021 -1.091 18210 160 1 1 . 1 1 31 31 ASN CA C 31 53.583 53.583 53.444 0.139 18210 161 1 1 . 1 1 31 31 ASN CB C 31 38.733 38.733 39.609 -0.876 18210 162 1 1 . 1 1 31 31 ASN H H 31 8.354 8.354 8.529 -0.175 18210 163 1 1 . 1 1 32 32 ASN N N 32 118.038 118.038 119.653 -1.615 18210 164 1 1 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.668 0.030 18210 165 1 1 . 1 1 32 32 ASN C C 32 174.979 174.979 175.735 -0.756 18210 166 1 1 . 1 1 32 32 ASN CA C 32 53.580 53.580 53.566 0.014 18210 167 1 1 . 1 1 32 32 ASN CB C 32 38.810 38.810 38.609 0.201 18210 168 1 1 . 1 1 32 32 ASN H H 32 8.218 8.218 8.423 -0.205 18210 169 1 1 . 1 1 33 33 GLN N N 33 119.603 119.603 117.948 1.655 18210 170 1 1 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.291 0.062 18210 171 1 1 . 1 1 33 33 GLN C C 33 175.735 175.735 176.417 -0.682 18210 172 1 1 . 1 1 33 33 GLN CA C 33 55.883 55.883 57.379 -1.496 18210 173 1 1 . 1 1 33 33 GLN CB C 33 29.131 29.131 29.452 -0.321 18210 174 1 1 . 1 1 33 33 GLN H H 33 8.337 8.337 8.453 -0.116 18210 175 1 1 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.290 -0.012 18210 176 1 1 . 1 1 34 34 GLN C C 34 175.170 175.170 174.856 0.314 18210 177 1 1 . 1 1 34 34 GLN CA C 34 56.102 56.102 56.311 -0.209 18210 178 1 1 . 1 1 34 34 GLN CB C 34 29.870 29.870 29.165 0.705 18210 179 1 1 . 1 1 34 34 GLN H H 34 8.087 8.087 8.093 -0.006 18210 180 1 1 . 1 1 35 35 ASP HA H 35 4.720 4.720 4.552 0.168 18210 181 1 1 . 1 1 35 35 ASP C C 35 175.810 175.810 176.085 -0.275 18210 182 1 1 . 1 1 35 35 ASP CA C 35 54.292 54.292 54.586 -0.294 18210 183 1 1 . 1 1 35 35 ASP CB C 35 41.462 41.462 40.147 1.315 18210 184 1 1 . 1 1 35 35 ASP H H 35 8.033 8.033 8.163 -0.130 18210 185 1 1 . 1 1 36 36 ILE N N 36 122.378 122.378 125.831 -3.453 18210 186 1 1 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.143 -0.079 18210 187 1 1 . 1 1 36 36 ILE C C 36 173.823 173.823 174.613 -0.790 18210 188 1 1 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.165 1.341 18210 189 1 1 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.705 0.007 18210 190 1 1 . 1 1 36 36 ILE H H 36 8.421 8.421 7.908 0.513 18210 191 1 1 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.771 -0.264 18210 192 1 1 . 1 1 37 37 VAL C C 37 174.956 174.956 175.786 -0.830 18210 193 1 1 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.854 0.681 18210 194 1 1 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.544 -1.612 18210 195 1 1 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.764 0.017 18210 196 1 1 . 1 1 38 38 CYS C C 38 172.106 172.106 174.347 -2.241 18210 197 1 1 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.220 -3.002 18210 198 1 1 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.603 23.354 18210 199 1 1 . 1 1 39 39 THR N N 39 123.385 123.385 123.060 0.325 18210 200 1 1 . 1 1 39 39 THR HA H 39 4.998 4.998 4.834 0.164 18210 201 1 1 . 1 1 39 39 THR C C 39 174.687 174.687 174.322 0.365 18210 202 1 1 . 1 1 39 39 THR CA C 39 61.514 61.514 62.524 -1.010 18210 203 1 1 . 1 1 39 39 THR CB C 39 69.880 69.880 69.399 0.481 18210 204 1 1 . 1 1 39 39 THR H H 39 8.229 8.229 8.539 -0.310 18210 205 1 1 . 1 1 40 40 VAL N N 40 125.782 125.782 122.491 3.291 18210 206 1 1 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.625 -0.345 18210 207 1 1 . 1 1 40 40 VAL C C 40 173.622 173.622 173.829 -0.207 18210 208 1 1 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.831 0.576 18210 209 1 1 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.494 -0.694 18210 210 1 1 . 1 1 40 40 VAL H H 40 8.892 8.892 8.017 0.875 18210 211 1 1 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.674 0.231 18210 212 1 1 . 1 1 41 41 LYS C C 41 175.624 175.624 176.010 -0.386 18210 213 1 1 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.244 -0.997 18210 214 1 1 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.287 -1.385 18210 215 1 1 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.553 -0.246 18210 216 1 1 . 1 1 42 42 ALA C C 42 175.028 175.028 175.222 -0.194 18210 217 1 1 . 1 1 42 42 ALA CA C 42 51.544 51.544 50.653 0.891 18210 218 1 1 . 1 1 42 42 ALA CB C 42 22.233 22.233 20.873 1.360 18210 219 1 1 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.767 0.012 18210 220 1 1 . 1 1 43 43 HIS C C 43 172.767 172.767 174.907 -2.140 18210 221 1 1 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.626 -2.025 18210 222 1 1 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.758 -2.458 18210 223 1 1 . 1 1 43 43 HIS H H 43 8.722 8.722 8.610 0.112 18210 224 1 1 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.110 -0.070 18210 225 1 1 . 1 1 44 44 ALA C C 44 178.087 178.087 178.136 -0.049 18210 226 1 1 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.404 -0.542 18210 227 1 1 . 1 1 44 44 ALA CB C 44 19.024 19.024 18.939 0.085 18210 228 1 1 . 1 1 44 44 ALA H H 44 8.468 8.468 8.101 0.367 18210 229 1 1 . 1 1 45 45 ASN N N 45 113.483 113.483 113.546 -0.063 18210 230 1 1 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.843 -0.501 18210 231 1 1 . 1 1 45 45 ASN C C 45 174.441 174.441 174.564 -0.123 18210 232 1 1 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.240 2.088 18210 233 1 1 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.412 -0.733 18210 234 1 1 . 1 1 45 45 ASN H H 45 7.356 7.356 8.618 -1.262 18210 235 1 1 . 1 1 46 46 ASP N N 46 120.941 120.941 120.300 0.641 18210 236 1 1 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.702 -0.111 18210 237 1 1 . 1 1 46 46 ASP C C 46 175.724 175.724 176.212 -0.488 18210 238 1 1 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.815 1.355 18210 239 1 1 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.399 0.120 18210 240 1 1 . 1 1 46 46 ASP H H 46 7.959 7.959 8.253 -0.294 18210 241 1 1 . 1 1 47 47 LEU N N 47 123.735 123.735 121.401 2.334 18210 242 1 1 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.445 0.531 18210 243 1 1 . 1 1 47 47 LEU C C 47 175.735 175.735 176.917 -1.182 18210 244 1 1 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.863 -0.172 18210 245 1 1 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.778 0.788 18210 246 1 1 . 1 1 47 47 LEU H H 47 8.156 8.156 8.472 -0.316 18210 247 1 1 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.645 0.626 18210 248 1 1 . 1 1 48 48 ILE C C 48 175.979 175.979 175.346 0.633 18210 249 1 1 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.961 -0.008 18210 250 1 1 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.375 2.763 18210 251 1 1 . 1 1 49 49 GLY N N 49 102.726 102.726 110.723 -7.997 18210 252 1 1 . 1 1 49 49 GLY C C 49 169.506 169.506 171.729 -2.223 18210 253 1 1 . 1 1 49 49 GLY CA C 49 48.190 48.190 45.904 2.286 18210 254 1 1 . 1 1 49 49 GLY H H 49 7.900 7.900 8.424 -0.524 18210 255 1 1 . 1 1 50 50 PHE N N 50 111.884 111.884 113.267 -1.383 18210 256 1 1 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.866 0.047 18210 257 1 1 . 1 1 50 50 PHE C C 50 171.823 171.823 171.887 -0.064 18210 258 1 1 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.362 -0.635 18210 259 1 1 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.790 0.239 18210 260 1 1 . 1 1 50 50 PHE H H 50 8.248 8.248 7.893 0.355 18210 261 1 1 . 1 1 51 51 LYS N N 51 117.924 117.924 118.919 -0.995 18210 262 1 1 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.229 0.155 18210 263 1 1 . 1 1 51 51 LYS C C 51 176.140 176.140 174.405 1.735 18210 264 1 1 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.992 -0.571 18210 265 1 1 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.222 0.698 18210 266 1 1 . 1 1 51 51 LYS H H 51 7.857 7.857 7.804 0.053 18210 267 1 1 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.120 -0.099 18210 268 1 1 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.696 -4.505 18210 269 1 1 . 1 1 52 52 CYS CB C 52 41.187 41.187 29.878 11.309 18210 270 1 1 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.476 -0.099 18210 271 1 1 . 1 1 53 53 PRO C C 53 177.624 177.624 177.302 0.322 18210 272 1 1 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.327 -0.757 18210 273 1 1 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.363 -1.107 18210 274 1 1 . 1 1 54 54 SER HA H 54 4.106 4.106 4.204 -0.098 18210 275 1 1 . 1 1 54 54 SER C C 54 174.271 174.271 174.733 -0.462 18210 276 1 1 . 1 1 54 54 SER CA C 54 61.221 61.221 60.245 0.976 18210 277 1 1 . 1 1 54 54 SER CB C 54 63.243 63.243 63.358 -0.115 18210 278 1 1 . 1 1 55 55 ASN N N 55 115.116 115.116 117.534 -2.418 18210 279 1 1 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.798 -0.125 18210 280 1 1 . 1 1 55 55 ASN C C 55 174.556 174.556 174.790 -0.234 18210 281 1 1 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.570 0.294 18210 282 1 1 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.830 -1.906 18210 283 1 1 . 1 1 55 55 ASN H H 55 8.712 8.712 8.232 0.479 18210 284 1 1 . 1 1 56 56 TYR N N 56 120.489 120.489 119.147 1.342 18210 285 1 1 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.607 0.085 18210 286 1 1 . 1 1 56 56 TYR C C 56 176.019 176.019 175.031 0.988 18210 287 1 1 . 1 1 56 56 TYR CA C 56 57.469 57.469 57.493 -0.024 18210 288 1 1 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.183 -2.485 18210 289 1 1 . 1 1 56 56 TYR H H 56 7.637 7.637 7.600 0.037 18210 290 1 1 . 1 1 57 57 SER N N 57 117.381 117.381 116.748 0.633 18210 291 1 1 . 1 1 57 57 SER HA H 57 4.915 4.915 4.774 0.141 18210 292 1 1 . 1 1 57 57 SER C C 57 173.649 173.649 173.470 0.179 18210 293 1 1 . 1 1 57 57 SER CA C 57 57.586 57.586 57.541 0.045 18210 294 1 1 . 1 1 57 57 SER CB C 57 64.766 64.766 64.777 -0.011 18210 295 1 1 . 1 1 57 57 SER H H 57 9.323 9.323 8.406 0.917 18210 296 1 1 . 1 1 58 58 VAL N N 58 125.696 125.696 122.351 3.345 18210 297 1 1 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.525 0.287 18210 298 1 1 . 1 1 58 58 VAL C C 58 174.911 174.911 175.258 -0.347 18210 299 1 1 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.066 0.823 18210 300 1 1 . 1 1 58 58 VAL CB C 58 33.185 33.185 31.985 1.200 18210 301 1 1 . 1 1 58 58 VAL H H 58 8.474 8.474 8.811 -0.337 18210 302 1 1 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.929 -0.269 18210 303 1 1 . 1 1 59 59 GLU CA C 59 52.599 52.599 53.199 -0.600 18210 304 1 1 . 1 1 59 59 GLU CB C 59 32.910 32.910 32.573 0.337 18210 305 1 1 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.668 0.032 18210 306 1 1 . 1 1 60 60 PRO C C 60 176.708 176.708 176.232 0.476 18210 307 1 1 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.128 -0.397 18210 308 1 1 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.214 1.792 18210 309 1 1 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.533 -0.170 18210 310 1 1 . 1 1 61 61 HIS C C 61 174.320 174.320 174.671 -0.351 18210 311 1 1 . 1 1 61 61 HIS CA C 61 58.473 58.473 58.014 0.459 18210 312 1 1 . 1 1 61 61 HIS CB C 61 28.515 28.515 30.936 -2.421 18210 313 1 1 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.747 0.296 18210 314 1 1 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.038 -1.700 18210 315 1 1 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.645 -1.135 18210 316 1 1 . 1 1 63 63 CYS N N 63 120.346 120.346 118.078 2.268 18210 317 1 1 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.748 -0.525 18210 318 1 1 . 1 1 63 63 CYS C C 63 171.976 171.976 175.356 -3.380 18210 319 1 1 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.062 -0.558 18210 320 1 1 . 1 1 63 63 CYS CB C 63 41.081 41.081 28.077 13.004 18210 321 1 1 . 1 1 63 63 CYS H H 63 6.446 6.446 8.211 -1.765 18210 322 1 1 . 1 1 64 64 PHE N N 64 116.155 116.155 116.943 -0.788 18210 323 1 1 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.475 -0.255 18210 324 1 1 . 1 1 64 64 PHE C C 64 177.110 177.110 177.231 -0.121 18210 325 1 1 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.388 0.203 18210 326 1 1 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.848 3.301 18210 327 1 1 . 1 1 64 64 PHE H H 64 7.697 7.697 7.640 0.057 18210 328 1 1 . 1 1 65 65 VAL N N 65 119.794 119.794 120.077 -0.283 18210 329 1 1 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.797 0.168 18210 330 1 1 . 1 1 65 65 VAL C C 65 176.948 176.948 175.628 1.320 18210 331 1 1 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.761 1.202 18210 332 1 1 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.639 -0.555 18210 333 1 1 . 1 1 65 65 VAL H H 65 8.449 8.449 7.173 1.276 18210 334 1 1 . 1 1 66 66 SER N N 66 113.648 113.648 109.636 4.012 18210 335 1 1 . 1 1 66 66 SER HA H 66 5.041 5.041 4.388 0.653 18210 336 1 1 . 1 1 66 66 SER C C 66 173.905 173.905 172.255 1.650 18210 337 1 1 . 1 1 66 66 SER CA C 66 56.701 56.701 57.764 -1.063 18210 338 1 1 . 1 1 66 66 SER CB C 66 65.738 65.738 63.661 2.077 18210 339 1 1 . 1 1 66 66 SER H H 66 7.706 7.706 7.461 0.245 18210 340 1 1 . 1 1 67 67 ALA N N 67 115.370 115.370 127.048 -11.678 18210 341 1 1 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.283 -0.239 18210 342 1 1 . 1 1 67 67 ALA C C 67 175.316 175.316 174.447 0.869 18210 343 1 1 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.715 0.407 18210 344 1 1 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.553 3.274 18210 345 1 1 . 1 1 67 67 ALA H H 67 9.280 9.280 7.628 1.652 18210 346 1 1 . 1 1 68 68 PHE N N 68 116.820 116.820 117.059 -0.239 18210 347 1 1 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.128 -0.129 18210 348 1 1 . 1 1 68 68 PHE C C 68 176.533 176.533 176.483 0.050 18210 349 1 1 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.837 0.701 18210 350 1 1 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.759 -0.795 18210 351 1 1 . 1 1 68 68 PHE H H 68 8.520 8.520 7.940 0.580 18210 352 1 1 . 1 1 69 69 ASN N N 69 118.203 118.203 121.102 -2.899 18210 353 1 1 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.783 0.259 18210 354 1 1 . 1 1 69 69 ASN C C 69 176.820 176.820 177.519 -0.699 18210 355 1 1 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.650 -1.614 18210 356 1 1 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.261 0.233 18210 357 1 1 . 1 1 69 69 ASN H H 69 8.498 8.498 8.920 -0.422 18210 358 1 1 . 1 1 70 70 LEU N N 70 118.189 118.189 120.498 -2.309 18210 359 1 1 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.346 -0.067 18210 360 1 1 . 1 1 70 70 LEU C C 70 178.484 178.484 177.807 0.677 18210 361 1 1 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.904 -0.140 18210 362 1 1 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.567 0.071 18210 363 1 1 . 1 1 70 70 LEU H H 70 8.514 8.514 8.846 -0.332 18210 364 1 1 . 1 1 71 71 SER N N 71 113.939 113.939 112.310 1.629 18210 365 1 1 . 1 1 71 71 SER HA H 71 4.572 4.572 4.487 0.085 18210 366 1 1 . 1 1 71 71 SER C C 71 174.682 174.682 175.721 -1.039 18210 367 1 1 . 1 1 71 71 SER CA C 71 58.758 58.758 58.696 0.062 18210 368 1 1 . 1 1 71 71 SER CB C 71 63.762 63.762 63.384 0.378 18210 369 1 1 . 1 1 71 71 SER H H 71 8.049 8.049 8.056 -0.007 18210 370 1 1 . 1 1 72 72 GLY N N 72 109.936 109.936 109.015 0.921 18210 371 1 1 . 1 1 72 72 GLY C C 72 173.549 173.549 173.457 0.092 18210 372 1 1 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.612 0.026 18210 373 1 1 . 1 1 72 72 GLY H H 72 8.641 8.641 8.107 0.534 18210 374 1 1 . 1 1 73 73 LYS N N 73 119.884 119.884 119.122 0.762 18210 375 1 1 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.479 0.074 18210 376 1 1 . 1 1 73 73 LYS C C 73 175.750 175.750 175.354 0.396 18210 377 1 1 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.960 -0.302 18210 378 1 1 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.712 0.029 18210 379 1 1 . 1 1 73 73 LYS H H 73 7.738 7.738 7.809 -0.071 18210 380 1 1 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.951 -0.431 18210 381 1 1 . 1 1 74 74 ASN C C 74 174.680 174.680 174.931 -0.251 18210 382 1 1 . 1 1 74 74 ASN CA C 74 54.232 54.232 52.944 1.288 18210 383 1 1 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.381 0.946 18210 384 1 1 . 1 1 75 75 GLU N N 75 124.834 124.834 126.182 -1.348 18210 385 1 1 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.412 0.186 18210 386 1 1 . 1 1 75 75 GLU C C 75 174.547 174.547 175.505 -0.958 18210 387 1 1 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.277 -0.390 18210 388 1 1 . 1 1 75 75 GLU CB C 75 32.908 32.908 34.157 -1.249 18210 389 1 1 . 1 1 75 75 GLU H H 75 8.835 8.835 8.053 0.782 18210 390 1 1 . 1 1 76 76 ASN N N 76 121.549 121.549 120.829 0.720 18210 391 1 1 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.649 0.026 18210 392 1 1 . 1 1 76 76 ASN C C 76 175.670 175.670 175.998 -0.328 18210 393 1 1 . 1 1 76 76 ASN CA C 76 54.120 54.120 53.963 0.157 18210 394 1 1 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.764 0.278 18210 395 1 1 . 1 1 76 76 ASN H H 76 8.580 8.580 8.697 -0.117 18210 396 1 1 . 1 1 77 77 LEU N N 77 125.808 125.808 123.202 2.606 18210 397 1 1 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.481 -0.374 18210 398 1 1 . 1 1 77 77 LEU C C 77 178.104 178.104 177.348 0.756 18210 399 1 1 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.612 1.379 18210 400 1 1 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.231 0.153 18210 401 1 1 . 1 1 77 77 LEU H H 77 8.610 8.610 8.319 0.291 18210 402 1 1 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.234 -0.218 18210 403 1 1 . 1 1 78 78 GLU C C 78 176.833 176.833 177.445 -0.612 18210 404 1 1 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.532 1.117 18210 405 1 1 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.443 1.241 18210 406 1 1 . 1 1 79 79 ASN N N 79 114.719 114.719 116.964 -2.245 18210 407 1 1 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.445 0.119 18210 408 1 1 . 1 1 79 79 ASN C C 79 175.510 175.510 176.463 -0.953 18210 409 1 1 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.273 -0.881 18210 410 1 1 . 1 1 79 79 ASN CB C 79 38.718 38.718 38.264 0.454 18210 411 1 1 . 1 1 79 79 ASN H H 79 8.257 8.257 8.445 -0.188 18210 412 1 1 . 1 1 80 80 LYS N N 80 118.906 118.906 118.348 0.558 18210 413 1 1 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.178 0.115 18210 414 1 1 . 1 1 80 80 LYS C C 80 175.748 175.748 176.506 -0.758 18210 415 1 1 . 1 1 80 80 LYS CA C 80 57.765 57.765 56.927 0.838 18210 416 1 1 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.135 1.210 18210 417 1 1 . 1 1 80 80 LYS H H 80 7.818 7.818 7.821 -0.003 18210 418 1 1 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.418 -0.268 18210 419 1 1 . 1 1 81 81 LEU C C 81 174.688 174.688 174.256 0.432 18210 420 1 1 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.672 0.850 18210 421 1 1 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.914 -1.851 18210 422 1 1 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.277 -0.108 18210 423 1 1 . 1 1 82 82 LYS C C 82 175.701 175.701 175.848 -0.147 18210 424 1 1 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.592 0.576 18210 425 1 1 . 1 1 82 82 LYS CB C 82 30.017 30.017 30.543 -0.526 18210 426 1 1 . 1 1 83 83 LEU N N 83 120.762 120.762 124.600 -3.838 18210 427 1 1 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.299 0.121 18210 428 1 1 . 1 1 83 83 LEU C C 83 177.184 177.184 177.723 -0.539 18210 429 1 1 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.939 0.280 18210 430 1 1 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.592 -0.281 18210 431 1 1 . 1 1 83 83 LEU H H 83 7.485 7.485 7.702 -0.217 18210 432 1 1 . 1 1 84 84 THR N N 84 110.955 110.955 114.105 -3.150 18210 433 1 1 . 1 1 84 84 THR HA H 84 4.712 4.712 4.566 0.146 18210 434 1 1 . 1 1 84 84 THR C C 84 173.001 173.001 173.642 -0.641 18210 435 1 1 . 1 1 84 84 THR CA C 84 59.883 59.883 60.699 -0.816 18210 436 1 1 . 1 1 84 84 THR CB C 84 71.825 71.825 72.341 -0.516 18210 437 1 1 . 1 1 84 84 THR H H 84 8.519 8.519 8.202 0.317 18210 438 1 1 . 1 1 85 85 ASN N N 85 117.589 117.589 117.152 0.437 18210 439 1 1 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.376 -0.230 18210 440 1 1 . 1 1 85 85 ASN C C 85 173.572 173.572 174.286 -0.714 18210 441 1 1 . 1 1 85 85 ASN CA C 85 54.319 54.319 54.126 0.193 18210 442 1 1 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.114 1.794 18210 443 1 1 . 1 1 85 85 ASN H H 85 8.850 8.850 8.780 0.070 18210 444 1 1 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.403 -0.111 18210 445 1 1 . 1 1 86 86 ILE C C 86 177.346 177.346 176.111 1.235 18210 446 1 1 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.548 1.259 18210 447 1 1 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.914 -0.215 18210 448 1 1 . 1 1 87 87 ILE N N 87 131.807 131.807 128.906 2.901 18210 449 1 1 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.523 -0.268 18210 450 1 1 . 1 1 87 87 ILE C C 87 174.493 174.493 174.374 0.119 18210 451 1 1 . 1 1 87 87 ILE CA C 87 60.152 60.152 60.041 0.111 18210 452 1 1 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.319 1.791 18210 453 1 1 . 1 1 87 87 ILE H H 87 9.166 9.166 8.669 0.497 18210 454 1 1 . 1 1 88 88 MET HA H 88 4.017 4.017 4.582 -0.565 18210 455 1 1 . 1 1 88 88 MET C C 88 173.613 173.613 174.476 -0.863 18210 456 1 1 . 1 1 88 88 MET CA C 88 53.287 53.287 54.838 -1.551 18210 457 1 1 . 1 1 88 88 MET CB C 88 33.478 33.478 34.767 -1.289 18210 458 1 1 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.911 -0.214 18210 459 1 1 . 1 1 89 89 ASP C C 89 176.750 176.750 175.935 0.815 18210 460 1 1 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.860 -0.759 18210 461 1 1 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.402 -1.211 18210 462 1 1 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.323 0.118 18210 463 1 1 . 1 1 90 90 HIS C C 90 175.625 175.625 175.876 -0.251 18210 464 1 1 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.925 -0.671 18210 465 1 1 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.410 -1.831 18210 466 1 1 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.303 0.137 18210 467 1 1 . 1 1 91 91 TYR C C 91 177.915 177.915 175.609 2.306 18210 468 1 1 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.021 -0.261 18210 469 1 1 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.470 -0.403 18210 470 1 1 . 1 1 92 92 ASN N N 92 113.661 113.661 113.612 0.049 18210 471 1 1 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.518 0.256 18210 472 1 1 . 1 1 92 92 ASN C C 92 174.762 174.762 174.744 0.018 18210 473 1 1 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.710 -0.095 18210 474 1 1 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.301 0.981 18210 475 1 1 . 1 1 92 92 ASN H H 92 7.713 7.713 8.394 -0.681 18210 476 1 1 . 1 1 93 93 ASN N N 93 125.176 125.176 114.873 10.303 18210 477 1 1 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.325 0.384 18210 478 1 1 . 1 1 93 93 ASN C C 93 172.729 172.729 172.944 -0.215 18210 479 1 1 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.591 -1.856 18210 480 1 1 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.830 1.131 18210 481 1 1 . 1 1 93 93 ASN H H 93 7.804 7.804 7.833 -0.029 18210 482 1 1 . 1 1 94 94 THR N N 94 109.900 109.900 111.678 -1.778 18210 483 1 1 . 1 1 94 94 THR HA H 94 4.852 4.852 4.916 -0.064 18210 484 1 1 . 1 1 94 94 THR C C 94 170.824 170.824 171.652 -0.828 18210 485 1 1 . 1 1 94 94 THR CA C 94 61.817 61.817 60.134 1.683 18210 486 1 1 . 1 1 94 94 THR CB C 94 71.074 71.074 70.901 0.173 18210 487 1 1 . 1 1 94 94 THR H H 94 7.654 7.654 7.372 0.282 18210 488 1 1 . 1 1 95 95 PHE N N 95 126.721 126.721 124.675 2.046 18210 489 1 1 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.305 -0.197 18210 490 1 1 . 1 1 95 95 PHE C C 95 174.143 174.143 174.173 -0.030 18210 491 1 1 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.417 0.152 18210 492 1 1 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.459 0.334 18210 493 1 1 . 1 1 95 95 PHE H H 95 8.166 8.166 7.851 0.315 18210 494 1 1 . 1 1 96 96 TYR N N 96 115.709 115.709 120.233 -4.524 18210 495 1 1 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.408 0.659 18210 496 1 1 . 1 1 96 96 TYR C C 96 175.734 175.734 174.702 1.032 18210 497 1 1 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.752 -0.320 18210 498 1 1 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.812 1.355 18210 499 1 1 . 1 1 96 96 TYR H H 96 9.149 9.149 8.760 0.389 18210 500 1 1 . 1 1 97 97 SER N N 97 109.503 109.503 114.847 -5.344 18210 501 1 1 . 1 1 97 97 SER HA H 97 4.430 4.430 4.928 -0.498 18210 502 1 1 . 1 1 97 97 SER C C 97 170.684 170.684 173.098 -2.414 18210 503 1 1 . 1 1 97 97 SER CA C 97 59.324 59.324 57.043 2.281 18210 504 1 1 . 1 1 97 97 SER CB C 97 66.341 66.341 65.481 0.860 18210 505 1 1 . 1 1 97 97 SER H H 97 8.921 8.921 9.311 -0.390 18210 506 1 1 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.769 0.625 18210 507 1 1 . 1 1 98 98 ARG C C 98 175.850 175.850 175.512 0.338 18210 508 1 1 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.307 -0.132 18210 509 1 1 . 1 1 98 98 ARG CB C 98 33.127 33.127 31.748 1.379 18210 510 1 1 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.661 -0.331 18210 511 1 1 . 1 1 99 99 LEU CA C 99 53.806 53.806 53.092 0.714 18210 512 1 1 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.143 -1.240 18210 513 1 1 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.354 0.322 18210 514 1 1 . 1 1 100 100 PRO C C 100 175.744 175.744 176.388 -0.644 18210 515 1 1 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.039 -0.750 18210 516 1 1 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.503 0.283 18210 517 1 1 . 1 1 101 101 SER HA H 101 4.126 4.126 4.380 -0.254 18210 518 1 1 . 1 1 101 101 SER C C 101 173.214 173.214 174.066 -0.852 18210 519 1 1 . 1 1 101 101 SER CA C 101 60.265 60.265 59.348 0.917 18210 520 1 1 . 1 1 101 101 SER CB C 101 63.660 63.660 64.033 -0.373 18210 521 1 1 . 1 1 102 102 LEU N N 102 121.389 121.389 121.983 -0.594 18210 522 1 1 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.587 -0.055 18210 523 1 1 . 1 1 102 102 LEU C C 102 175.187 175.187 175.175 0.012 18210 524 1 1 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.878 -0.192 18210 525 1 1 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.443 -0.063 18210 526 1 1 . 1 1 102 102 LEU H H 102 7.179 7.179 7.420 -0.240 18210 527 1 1 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.466 -0.023 18210 528 1 1 . 1 1 103 103 ILE C C 103 175.490 175.490 175.869 -0.379 18210 529 1 1 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.542 -1.633 18210 530 1 1 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.470 0.208 18210 531 1 1 . 1 1 104 104 SER N N 104 120.807 120.807 120.842 -0.035 18210 532 1 1 . 1 1 104 104 SER HA H 104 4.581 4.581 4.586 -0.005 18210 533 1 1 . 1 1 104 104 SER C C 104 173.234 173.234 174.026 -0.792 18210 534 1 1 . 1 1 104 104 SER CA C 104 58.166 58.166 57.861 0.305 18210 535 1 1 . 1 1 104 104 SER CB C 104 64.341 64.341 63.870 0.471 18210 536 1 1 . 1 1 104 104 SER H H 104 8.471 8.471 8.372 0.099 18210 537 1 1 . 1 1 105 105 ASP N N 105 119.103 119.103 123.334 -4.231 18210 538 1 1 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.802 -0.153 18210 539 1 1 . 1 1 105 105 ASP C C 105 174.991 174.991 175.886 -0.895 18210 540 1 1 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.359 -0.625 18210 541 1 1 . 1 1 105 105 ASP CB C 105 42.477 42.477 41.866 0.611 18210 542 1 1 . 1 1 105 105 ASP H H 105 8.060 8.060 8.018 0.042 18210 543 1 1 . 1 1 106 106 ASN N N 106 116.036 116.036 118.583 -2.547 18210 544 1 1 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.876 -0.141 18210 545 1 1 . 1 1 106 106 ASN C C 106 174.308 174.308 175.374 -1.066 18210 546 1 1 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.845 0.935 18210 547 1 1 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.548 0.474 18210 548 1 1 . 1 1 106 106 ASN H H 106 8.389 8.389 8.432 -0.043 18210 549 1 1 . 1 1 107 107 TRP N N 107 119.645 119.645 121.346 -1.701 18210 550 1 1 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.806 0.023 18210 551 1 1 . 1 1 107 107 TRP C C 107 174.949 174.949 175.347 -0.398 18210 552 1 1 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.960 -0.768 18210 553 1 1 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.568 2.645 18210 554 1 1 . 1 1 107 107 TRP H H 107 7.846 7.846 8.216 -0.369 18210 555 1 1 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.695 0.767 18210 556 1 1 . 1 1 108 108 LYS C C 108 174.986 174.986 175.127 -0.141 18210 557 1 1 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.185 1.011 18210 558 1 1 . 1 1 108 108 LYS CB C 108 36.215 36.215 36.209 0.006 18210 559 1 1 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.400 0.145 18210 560 1 1 . 1 1 109 109 PHE C C 109 172.950 172.950 172.623 0.327 18210 561 1 1 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.494 -0.074 18210 562 1 1 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.125 -0.234 18210 563 1 1 . 1 1 110 110 PHE N N 110 115.390 115.390 115.176 0.214 18210 564 1 1 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.159 0.873 18210 565 1 1 . 1 1 110 110 PHE C C 110 173.892 173.892 173.527 0.365 18210 566 1 1 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.438 0.794 18210 567 1 1 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.859 2.507 18210 568 1 1 . 1 1 110 110 PHE H H 110 9.267 9.267 7.748 1.519 18210 569 1 1 . 1 1 111 111 CYS N N 111 116.463 116.463 117.749 -1.286 18210 570 1 1 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.889 0.172 18210 571 1 1 . 1 1 111 111 CYS C C 111 171.900 171.900 173.095 -1.195 18210 572 1 1 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.474 -3.622 18210 573 1 1 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.122 16.707 18210 574 1 1 . 1 1 111 111 CYS H H 111 9.274 9.274 8.711 0.563 18210 575 1 1 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.244 -0.042 18210 576 1 1 . 1 1 112 112 VAL C C 112 175.041 175.041 174.491 0.550 18210 577 1 1 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.127 0.316 18210 578 1 1 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.445 0.132 18210 579 1 1 . 1 1 112 112 VAL H H 112 9.605 9.605 8.303 1.302 18210 580 1 1 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.686 0.074 18210 581 1 1 . 1 1 113 113 CYS C C 113 173.601 173.601 174.042 -0.441 18210 582 1 1 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.523 -4.702 18210 583 1 1 . 1 1 113 113 CYS CB C 113 43.946 43.946 30.478 13.468 18210 584 1 1 . 1 1 114 114 SER N N 114 117.968 117.968 117.621 0.347 18210 585 1 1 . 1 1 114 114 SER HA H 114 5.093 5.093 5.040 0.053 18210 586 1 1 . 1 1 114 114 SER C C 114 172.267 172.267 172.746 -0.479 18210 587 1 1 . 1 1 114 114 SER CA C 114 56.677 56.677 58.004 -1.327 18210 588 1 1 . 1 1 114 114 SER CB C 114 66.795 66.795 65.732 1.063 18210 589 1 1 . 1 1 114 114 SER H H 114 9.250 9.250 9.241 0.009 18210 590 1 1 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.492 -0.386 18210 591 1 1 . 1 1 115 115 LYS C C 115 174.527 174.527 174.452 0.075 18210 592 1 1 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.547 0.375 18210 593 1 1 . 1 1 115 115 LYS CB C 115 34.009 34.009 35.805 -1.796 18210 594 1 1 . 1 1 115 115 LYS H H 115 8.705 8.705 8.395 0.310 18210 595 1 1 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.485 -0.294 18210 596 1 1 . 1 1 116 116 ASP C C 116 176.002 176.002 176.743 -0.741 18210 597 1 1 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.556 0.758 18210 598 1 1 . 1 1 116 116 ASP CB C 116 40.447 40.447 41.050 -0.603 18210 599 1 1 . 1 1 117 117 ASN N N 117 116.913 116.913 118.511 -1.598 18210 600 1 1 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.274 0.165 18210 601 1 1 . 1 1 117 117 ASN C C 117 174.246 174.246 173.713 0.533 18210 602 1 1 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.262 0.171 18210 603 1 1 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.229 -0.047 18210 604 1 1 . 1 1 117 117 ASN H H 117 8.752 8.752 8.654 0.098 18210 605 1 1 . 1 1 118 118 GLU N N 118 116.615 116.615 118.030 -1.415 18210 606 1 1 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.483 0.277 18210 607 1 1 . 1 1 118 118 GLU C C 118 177.397 177.397 175.719 1.678 18210 608 1 1 . 1 1 118 118 GLU CA C 118 54.309 54.309 54.817 -0.508 18210 609 1 1 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.074 -1.983 18210 610 1 1 . 1 1 118 118 GLU H H 118 7.819 7.819 8.191 -0.372 18210 611 1 1 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.159 0.006 18210 612 1 1 . 1 1 119 119 LYS C C 119 177.626 177.626 176.646 0.980 18210 613 1 1 . 1 1 119 119 LYS CA C 119 57.540 57.540 57.184 0.356 18210 614 1 1 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.548 0.297 18210 615 1 1 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.614 -0.309 18210 616 1 1 . 1 1 120 120 LYS C C 120 174.312 174.312 175.593 -1.281 18210 617 1 1 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.654 1.452 18210 618 1 1 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.865 -0.678 18210 619 1 1 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.279 0.280 18210 620 1 1 . 1 1 121 121 LEU C C 121 174.893 174.893 175.302 -0.409 18210 621 1 1 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.487 -0.883 18210 622 1 1 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.921 -3.315 18210 623 1 1 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.621 -0.260 18210 624 1 1 . 1 1 122 122 VAL C C 122 173.909 173.909 174.431 -0.522 18210 625 1 1 . 1 1 122 122 VAL CA C 122 62.028 62.028 60.998 1.030 18210 626 1 1 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.911 -0.317 18210 627 1 1 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.913 0.262 18210 628 1 1 . 1 1 123 123 PHE C C 123 173.230 173.230 173.030 0.200 18210 629 1 1 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.109 0.205 18210 630 1 1 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.253 -0.421 18210 631 1 1 . 1 1 124 124 THR N N 124 121.688 121.688 123.667 -1.979 18210 632 1 1 . 1 1 124 124 THR HA H 124 4.885 4.885 4.650 0.235 18210 633 1 1 . 1 1 124 124 THR C C 124 170.874 170.874 172.098 -1.224 18210 634 1 1 . 1 1 124 124 THR CA C 124 60.087 60.087 59.508 0.579 18210 635 1 1 . 1 1 124 124 THR CB C 124 70.942 70.942 70.912 0.030 18210 636 1 1 . 1 1 124 124 THR H H 124 8.493 8.493 8.072 0.421 18210 637 1 1 . 1 1 125 125 VAL N N 125 125.781 125.781 120.149 5.632 18210 638 1 1 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.029 -0.513 18210 639 1 1 . 1 1 125 125 VAL C C 125 173.796 173.796 172.890 0.906 18210 640 1 1 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.286 1.506 18210 641 1 1 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.388 -2.154 18210 642 1 1 . 1 1 125 125 VAL H H 125 8.275 8.275 7.809 0.466 18210 643 1 1 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.771 0.118 18210 644 1 1 . 1 1 126 126 GLU C C 126 173.519 173.519 174.294 -0.775 18210 645 1 1 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.157 -0.191 18210 646 1 1 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.596 -0.634 18210 647 1 1 . 1 1 126 126 GLU H H 126 8.262 8.262 7.951 0.311 18210 648 1 2 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.559 -0.390 18210 649 1 2 . 1 1 2 2 LYS C C 2 176.160 176.160 174.794 1.366 18210 650 1 2 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.832 0.133 18210 651 1 2 . 1 1 2 2 LYS CB C 2 33.265 33.265 35.217 -1.952 18210 652 1 2 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.139 -0.226 18210 653 1 2 . 1 1 3 3 VAL C C 3 175.820 175.820 175.861 -0.041 18210 654 1 2 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.226 1.262 18210 655 1 2 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.491 0.289 18210 656 1 2 . 1 1 4 4 LYS N N 4 129.029 129.029 127.475 1.554 18210 657 1 2 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.545 -0.038 18210 658 1 2 . 1 1 4 4 LYS C C 4 174.923 174.923 176.159 -1.236 18210 659 1 2 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.426 0.877 18210 660 1 2 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.188 0.063 18210 661 1 2 . 1 1 4 4 LYS H H 4 8.507 8.507 8.367 0.140 18210 662 1 2 . 1 1 5 5 GLY N N 5 110.242 110.242 109.893 0.349 18210 663 1 2 . 1 1 5 5 GLY C C 5 173.333 173.333 171.838 1.495 18210 664 1 2 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.497 0.767 18210 665 1 2 . 1 1 5 5 GLY H H 5 8.138 8.138 8.220 -0.082 18210 666 1 2 . 1 1 6 6 CYS N N 6 114.306 114.306 120.045 -5.739 18210 667 1 2 . 1 1 6 6 CYS HA H 6 5.251 5.251 4.984 0.267 18210 668 1 2 . 1 1 6 6 CYS C C 6 170.891 170.891 172.875 -1.984 18210 669 1 2 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.445 -2.595 18210 670 1 2 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.477 21.673 18210 671 1 2 . 1 1 6 6 CYS H H 6 6.750 6.750 8.230 -1.480 18210 672 1 2 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.012 -0.264 18210 673 1 2 . 1 1 7 7 ASP C C 7 175.607 175.607 175.512 0.095 18210 674 1 2 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.416 -0.178 18210 675 1 2 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.078 -0.461 18210 676 1 2 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.565 0.312 18210 677 1 2 . 1 1 8 8 PHE C C 8 173.972 173.972 175.865 -1.893 18210 678 1 2 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.608 0.848 18210 679 1 2 . 1 1 8 8 PHE CB C 8 39.219 39.219 39.004 0.215 18210 680 1 2 . 1 1 9 9 THR N N 9 105.421 105.421 112.584 -7.163 18210 681 1 2 . 1 1 9 9 THR HA H 9 4.611 4.611 4.454 0.157 18210 682 1 2 . 1 1 9 9 THR C C 9 174.505 174.505 174.851 -0.346 18210 683 1 2 . 1 1 9 9 THR CA C 9 61.988 61.988 63.760 -1.772 18210 684 1 2 . 1 1 9 9 THR CB C 9 70.385 70.385 70.234 0.151 18210 685 1 2 . 1 1 9 9 THR H H 9 8.996 8.996 8.501 0.495 18210 686 1 2 . 1 1 10 10 THR N N 10 118.757 118.757 116.519 2.238 18210 687 1 2 . 1 1 10 10 THR HA H 10 4.526 4.526 4.584 -0.058 18210 688 1 2 . 1 1 10 10 THR C C 10 171.202 171.202 174.041 -2.839 18210 689 1 2 . 1 1 10 10 THR CA C 10 60.774 60.774 61.699 -0.925 18210 690 1 2 . 1 1 10 10 THR CB C 10 68.040 68.040 72.495 -4.455 18210 691 1 2 . 1 1 10 10 THR H H 10 7.199 7.199 7.439 -0.240 18210 692 1 2 . 1 1 11 11 SER N N 11 117.117 117.117 118.666 -1.549 18210 693 1 2 . 1 1 11 11 SER HA H 11 3.907 3.907 4.299 -0.392 18210 694 1 2 . 1 1 11 11 SER C C 11 174.988 174.988 174.741 0.247 18210 695 1 2 . 1 1 11 11 SER CA C 11 59.563 59.563 60.755 -1.192 18210 696 1 2 . 1 1 11 11 SER CB C 11 63.599 63.599 63.382 0.217 18210 697 1 2 . 1 1 11 11 SER H H 11 7.997 7.997 8.730 -0.733 18210 698 1 2 . 1 1 12 12 GLU N N 12 125.013 125.013 120.726 4.287 18210 699 1 2 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.512 0.053 18210 700 1 2 . 1 1 12 12 GLU C C 12 175.108 175.108 175.596 -0.488 18210 701 1 2 . 1 1 12 12 GLU CA C 12 54.259 54.259 54.786 -0.527 18210 702 1 2 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.457 0.471 18210 703 1 2 . 1 1 12 12 GLU H H 12 8.375 8.375 8.279 0.096 18210 704 1 2 . 1 1 13 13 SER N N 13 114.959 114.959 116.449 -1.490 18210 705 1 2 . 1 1 13 13 SER HA H 13 4.130 4.130 4.456 -0.326 18210 706 1 2 . 1 1 13 13 SER C C 13 176.833 176.833 174.791 2.042 18210 707 1 2 . 1 1 13 13 SER CA C 13 58.707 58.707 58.638 0.069 18210 708 1 2 . 1 1 13 13 SER CB C 13 63.598 63.598 64.841 -1.242 18210 709 1 2 . 1 1 13 13 SER H H 13 7.879 7.879 7.984 -0.105 18210 710 1 2 . 1 1 14 14 THR N N 14 117.688 117.688 116.339 1.349 18210 711 1 2 . 1 1 14 14 THR HA H 14 4.348 4.348 4.483 -0.135 18210 712 1 2 . 1 1 14 14 THR C C 14 174.550 174.550 175.395 -0.845 18210 713 1 2 . 1 1 14 14 THR CA C 14 62.435 62.435 63.064 -0.629 18210 714 1 2 . 1 1 14 14 THR CB C 14 69.114 69.114 68.457 0.658 18210 715 1 2 . 1 1 14 14 THR H H 14 8.978 8.978 9.006 -0.028 18210 716 1 2 . 1 1 15 15 ILE N N 15 118.851 118.851 114.343 4.508 18210 717 1 2 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.386 -0.348 18210 718 1 2 . 1 1 15 15 ILE C C 15 175.389 175.389 173.429 1.960 18210 719 1 2 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.719 1.981 18210 720 1 2 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.432 2.015 18210 721 1 2 . 1 1 15 15 ILE H H 15 7.947 7.947 7.978 -0.031 18210 722 1 2 . 1 1 16 16 PHE N N 16 116.409 116.409 119.680 -3.271 18210 723 1 2 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.471 0.047 18210 724 1 2 . 1 1 16 16 PHE C C 16 176.700 176.700 175.755 0.945 18210 725 1 2 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.451 1.011 18210 726 1 2 . 1 1 16 16 PHE CB C 16 42.712 42.712 42.355 0.357 18210 727 1 2 . 1 1 16 16 PHE H H 16 7.792 7.792 7.490 0.302 18210 728 1 2 . 1 1 17 17 SER N N 17 114.126 114.126 116.099 -1.973 18210 729 1 2 . 1 1 17 17 SER HA H 17 3.984 3.984 4.353 -0.369 18210 730 1 2 . 1 1 17 17 SER C C 17 174.203 174.203 174.539 -0.336 18210 731 1 2 . 1 1 17 17 SER CA C 17 61.176 61.176 61.069 0.106 18210 732 1 2 . 1 1 17 17 SER CB C 17 63.438 63.438 64.012 -0.574 18210 733 1 2 . 1 1 17 17 SER H H 17 8.666 8.666 8.588 0.078 18210 734 1 2 . 1 1 18 18 LYS N N 18 122.828 122.828 120.269 2.559 18210 735 1 2 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.458 0.300 18210 736 1 2 . 1 1 18 18 LYS C C 18 174.029 174.029 174.600 -0.571 18210 737 1 2 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.384 0.277 18210 738 1 2 . 1 1 18 18 LYS CB C 18 35.049 35.049 35.155 -0.106 18210 739 1 2 . 1 1 18 18 LYS H H 18 8.031 8.031 7.289 0.742 18210 740 1 2 . 1 1 19 19 GLY N N 19 112.051 112.051 110.135 1.916 18210 741 1 2 . 1 1 19 19 GLY C C 19 172.307 172.307 172.546 -0.239 18210 742 1 2 . 1 1 19 19 GLY CA C 19 44.946 44.946 45.239 -0.293 18210 743 1 2 . 1 1 19 19 GLY H H 19 8.092 8.092 7.826 0.266 18210 744 1 2 . 1 1 20 20 TYR N N 20 120.060 120.060 118.120 1.940 18210 745 1 2 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.760 -0.190 18210 746 1 2 . 1 1 20 20 TYR C C 20 173.557 173.557 174.755 -1.198 18210 747 1 2 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.158 0.354 18210 748 1 2 . 1 1 20 20 TYR CB C 20 43.091 43.091 43.543 -0.452 18210 749 1 2 . 1 1 20 20 TYR H H 20 7.968 7.968 8.932 -0.964 18210 750 1 2 . 1 1 21 21 SER N N 21 115.201 115.201 115.845 -0.644 18210 751 1 2 . 1 1 21 21 SER HA H 21 4.562 4.562 4.865 -0.303 18210 752 1 2 . 1 1 21 21 SER C C 21 176.172 176.172 176.216 -0.044 18210 753 1 2 . 1 1 21 21 SER CA C 21 56.537 56.537 55.279 1.258 18210 754 1 2 . 1 1 21 21 SER CB C 21 65.257 65.257 65.016 0.241 18210 755 1 2 . 1 1 21 21 SER H H 21 8.761 8.761 8.515 0.246 18210 756 1 2 . 1 1 22 22 ILE N N 22 122.867 122.867 122.205 0.662 18210 757 1 2 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.892 0.267 18210 758 1 2 . 1 1 22 22 ILE C C 22 177.561 177.561 177.032 0.529 18210 759 1 2 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.680 -0.967 18210 760 1 2 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.764 0.091 18210 761 1 2 . 1 1 22 22 ILE H H 22 8.646 8.646 8.738 -0.092 18210 762 1 2 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.465 0.080 18210 763 1 2 . 1 1 23 23 ASN C C 23 176.647 176.647 177.821 -1.174 18210 764 1 2 . 1 1 23 23 ASN CA C 23 55.506 55.506 56.240 -0.734 18210 765 1 2 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.008 0.445 18210 766 1 2 . 1 1 24 24 GLU N N 24 118.601 118.601 119.007 -0.406 18210 767 1 2 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.128 0.158 18210 768 1 2 . 1 1 24 24 GLU C C 24 177.998 177.998 178.186 -0.188 18210 769 1 2 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.060 -0.754 18210 770 1 2 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.803 0.855 18210 771 1 2 . 1 1 24 24 GLU H H 24 7.837 7.837 7.622 0.215 18210 772 1 2 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.168 0.005 18210 773 1 2 . 1 1 25 25 ILE C C 25 176.641 176.641 177.139 -0.498 18210 774 1 2 . 1 1 25 25 ILE CA C 25 62.612 62.612 62.876 -0.264 18210 775 1 2 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.358 0.001 18210 776 1 2 . 1 1 26 26 SER N N 26 116.293 116.293 117.642 -1.349 18210 777 1 2 . 1 1 26 26 SER HA H 26 4.663 4.663 4.332 0.331 18210 778 1 2 . 1 1 26 26 SER C C 26 174.462 174.462 175.097 -0.635 18210 779 1 2 . 1 1 26 26 SER CA C 26 58.392 58.392 60.069 -1.677 18210 780 1 2 . 1 1 26 26 SER CB C 26 64.380 64.380 64.176 0.204 18210 781 1 2 . 1 1 26 26 SER H H 26 7.813 7.813 8.189 -0.376 18210 782 1 2 . 1 1 27 27 ASN N N 27 121.919 121.919 122.012 -0.093 18210 783 1 2 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.512 0.209 18210 784 1 2 . 1 1 27 27 ASN C C 27 175.869 175.869 175.753 0.116 18210 785 1 2 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.776 0.234 18210 786 1 2 . 1 1 27 27 ASN CB C 27 38.640 38.640 38.107 0.533 18210 787 1 2 . 1 1 27 27 ASN H H 27 8.521 8.521 8.045 0.476 18210 788 1 2 . 1 1 28 28 LYS N N 28 121.697 121.697 126.007 -4.310 18210 789 1 2 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.134 0.226 18210 790 1 2 . 1 1 28 28 LYS C C 28 176.952 176.952 176.956 -0.004 18210 791 1 2 . 1 1 28 28 LYS CA C 28 56.967 56.967 55.647 1.320 18210 792 1 2 . 1 1 28 28 LYS CB C 28 32.730 32.730 30.199 2.531 18210 793 1 2 . 1 1 28 28 LYS H H 28 8.367 8.367 8.643 -0.276 18210 794 1 2 . 1 1 29 29 SER HA H 29 4.498 4.498 4.337 0.161 18210 795 1 2 . 1 1 29 29 SER C C 29 174.741 174.741 175.210 -0.469 18210 796 1 2 . 1 1 29 29 SER CA C 29 58.557 58.557 58.465 0.092 18210 797 1 2 . 1 1 29 29 SER CB C 29 63.945 63.945 62.295 1.650 18210 798 1 2 . 1 1 30 30 SER N N 30 116.470 116.470 120.018 -3.548 18210 799 1 2 . 1 1 30 30 SER HA H 30 4.429 4.429 4.135 0.294 18210 800 1 2 . 1 1 30 30 SER C C 30 174.467 174.467 175.893 -1.426 18210 801 1 2 . 1 1 30 30 SER CA C 30 58.616 58.616 61.281 -2.665 18210 802 1 2 . 1 1 30 30 SER CB C 30 63.834 63.834 63.087 0.747 18210 803 1 2 . 1 1 30 30 SER H H 30 8.140 8.140 8.957 -0.817 18210 804 1 2 . 1 1 31 31 ASN N N 31 119.457 119.457 119.072 0.385 18210 805 1 2 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.658 0.039 18210 806 1 2 . 1 1 31 31 ASN C C 31 174.930 174.930 173.982 0.948 18210 807 1 2 . 1 1 31 31 ASN CA C 31 53.583 53.583 53.313 0.270 18210 808 1 2 . 1 1 31 31 ASN CB C 31 38.733 38.733 37.143 1.590 18210 809 1 2 . 1 1 31 31 ASN H H 31 8.354 8.354 8.489 -0.135 18210 810 1 2 . 1 1 32 32 ASN N N 32 118.038 118.038 118.013 0.025 18210 811 1 2 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.776 -0.078 18210 812 1 2 . 1 1 32 32 ASN C C 32 174.979 174.979 173.440 1.539 18210 813 1 2 . 1 1 32 32 ASN CA C 32 53.580 53.580 52.639 0.941 18210 814 1 2 . 1 1 32 32 ASN CB C 32 38.810 38.810 40.728 -1.918 18210 815 1 2 . 1 1 32 32 ASN H H 32 8.218 8.218 7.904 0.314 18210 816 1 2 . 1 1 33 33 GLN N N 33 119.603 119.603 123.237 -3.634 18210 817 1 2 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.081 0.272 18210 818 1 2 . 1 1 33 33 GLN C C 33 175.735 175.735 176.691 -0.956 18210 819 1 2 . 1 1 33 33 GLN CA C 33 55.883 55.883 56.861 -0.978 18210 820 1 2 . 1 1 33 33 GLN CB C 33 29.131 29.131 28.557 0.574 18210 821 1 2 . 1 1 33 33 GLN H H 33 8.337 8.337 8.610 -0.273 18210 822 1 2 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.224 0.054 18210 823 1 2 . 1 1 34 34 GLN C C 34 175.170 175.170 174.362 0.808 18210 824 1 2 . 1 1 34 34 GLN CA C 34 56.102 56.102 55.218 0.884 18210 825 1 2 . 1 1 34 34 GLN CB C 34 29.870 29.870 27.359 2.511 18210 826 1 2 . 1 1 34 34 GLN H H 34 8.087 8.087 8.627 -0.540 18210 827 1 2 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.143 -0.423 18210 828 1 2 . 1 1 35 35 ASP C C 35 175.810 175.810 174.788 1.022 18210 829 1 2 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.032 1.260 18210 830 1 2 . 1 1 35 35 ASP CB C 35 41.462 41.462 43.094 -1.633 18210 831 1 2 . 1 1 35 35 ASP H H 35 8.033 8.033 8.077 -0.044 18210 832 1 2 . 1 1 36 36 ILE N N 36 122.378 122.378 125.777 -3.399 18210 833 1 2 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.249 -0.185 18210 834 1 2 . 1 1 36 36 ILE C C 36 173.823 173.823 174.122 -0.299 18210 835 1 2 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.002 1.504 18210 836 1 2 . 1 1 36 36 ILE CB C 36 37.712 37.712 38.225 -0.513 18210 837 1 2 . 1 1 36 36 ILE H H 36 8.421 8.421 8.544 -0.123 18210 838 1 2 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.811 -0.304 18210 839 1 2 . 1 1 37 37 VAL C C 37 174.956 174.956 175.664 -0.708 18210 840 1 2 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.769 0.766 18210 841 1 2 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.353 -1.421 18210 842 1 2 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.690 0.091 18210 843 1 2 . 1 1 38 38 CYS C C 38 172.106 172.106 174.429 -2.323 18210 844 1 2 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.341 -3.123 18210 845 1 2 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.287 23.671 18210 846 1 2 . 1 1 39 39 THR N N 39 123.385 123.385 123.398 -0.013 18210 847 1 2 . 1 1 39 39 THR HA H 39 4.998 4.998 4.965 0.033 18210 848 1 2 . 1 1 39 39 THR C C 39 174.687 174.687 173.724 0.963 18210 849 1 2 . 1 1 39 39 THR CA C 39 61.514 61.514 62.281 -0.767 18210 850 1 2 . 1 1 39 39 THR CB C 39 69.880 69.880 69.302 0.578 18210 851 1 2 . 1 1 39 39 THR H H 39 8.229 8.229 8.566 -0.337 18210 852 1 2 . 1 1 40 40 VAL N N 40 125.782 125.782 121.047 4.735 18210 853 1 2 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.628 -0.348 18210 854 1 2 . 1 1 40 40 VAL C C 40 173.622 173.622 173.655 -0.033 18210 855 1 2 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.412 0.995 18210 856 1 2 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.336 -0.536 18210 857 1 2 . 1 1 40 40 VAL H H 40 8.892 8.892 7.905 0.987 18210 858 1 2 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.856 0.049 18210 859 1 2 . 1 1 41 41 LYS C C 41 175.624 175.624 175.682 -0.058 18210 860 1 2 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.097 -0.850 18210 861 1 2 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.393 -1.491 18210 862 1 2 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.689 -0.382 18210 863 1 2 . 1 1 42 42 ALA C C 42 175.028 175.028 175.589 -0.561 18210 864 1 2 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.146 0.398 18210 865 1 2 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.750 0.483 18210 866 1 2 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.794 -0.015 18210 867 1 2 . 1 1 43 43 HIS C C 43 172.767 172.767 174.948 -2.181 18210 868 1 2 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.316 -1.715 18210 869 1 2 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.731 -2.432 18210 870 1 2 . 1 1 43 43 HIS H H 43 8.722 8.722 8.652 0.070 18210 871 1 2 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.121 -0.081 18210 872 1 2 . 1 1 44 44 ALA C C 44 178.087 178.087 178.192 -0.105 18210 873 1 2 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.235 -0.373 18210 874 1 2 . 1 1 44 44 ALA CB C 44 19.024 19.024 19.217 -0.193 18210 875 1 2 . 1 1 44 44 ALA H H 44 8.468 8.468 8.212 0.256 18210 876 1 2 . 1 1 45 45 ASN N N 45 113.483 113.483 113.837 -0.354 18210 877 1 2 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.798 -0.456 18210 878 1 2 . 1 1 45 45 ASN C C 45 174.441 174.441 175.468 -1.027 18210 879 1 2 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.136 2.192 18210 880 1 2 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.531 -0.852 18210 881 1 2 . 1 1 45 45 ASN H H 45 7.356 7.356 8.120 -0.764 18210 882 1 2 . 1 1 46 46 ASP N N 46 120.941 120.941 121.686 -0.745 18210 883 1 2 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.849 -0.258 18210 884 1 2 . 1 1 46 46 ASP C C 46 175.724 175.724 175.861 -0.137 18210 885 1 2 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.422 1.746 18210 886 1 2 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.542 -0.023 18210 887 1 2 . 1 1 46 46 ASP H H 46 7.959 7.959 8.079 -0.119 18210 888 1 2 . 1 1 47 47 LEU N N 47 123.735 123.735 121.695 2.040 18210 889 1 2 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.425 0.551 18210 890 1 2 . 1 1 47 47 LEU C C 47 175.735 175.735 176.868 -1.133 18210 891 1 2 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.970 -0.279 18210 892 1 2 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.754 0.812 18210 893 1 2 . 1 1 47 47 LEU H H 47 8.156 8.156 8.565 -0.409 18210 894 1 2 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.633 0.638 18210 895 1 2 . 1 1 48 48 ILE C C 48 175.979 175.979 175.305 0.674 18210 896 1 2 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.950 0.003 18210 897 1 2 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.223 2.915 18210 898 1 2 . 1 1 49 49 GLY N N 49 102.726 102.726 111.342 -8.616 18210 899 1 2 . 1 1 49 49 GLY C C 49 169.506 169.506 171.868 -2.362 18210 900 1 2 . 1 1 49 49 GLY CA C 49 48.190 48.190 46.025 2.165 18210 901 1 2 . 1 1 49 49 GLY H H 49 7.900 7.900 8.530 -0.630 18210 902 1 2 . 1 1 50 50 PHE N N 50 111.884 111.884 113.679 -1.795 18210 903 1 2 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.571 0.342 18210 904 1 2 . 1 1 50 50 PHE C C 50 171.823 171.823 171.968 -0.145 18210 905 1 2 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.538 -0.811 18210 906 1 2 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.492 0.537 18210 907 1 2 . 1 1 50 50 PHE H H 50 8.248 8.248 7.937 0.311 18210 908 1 2 . 1 1 51 51 LYS N N 51 117.924 117.924 119.305 -1.381 18210 909 1 2 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.273 0.111 18210 910 1 2 . 1 1 51 51 LYS C C 51 176.140 176.140 174.526 1.614 18210 911 1 2 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.916 -0.495 18210 912 1 2 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.255 0.665 18210 913 1 2 . 1 1 51 51 LYS H H 51 7.857 7.857 7.829 0.028 18210 914 1 2 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.137 -0.116 18210 915 1 2 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.817 -4.626 18210 916 1 2 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.090 11.097 18210 917 1 2 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.392 -0.015 18210 918 1 2 . 1 1 53 53 PRO C C 53 177.624 177.624 176.892 0.732 18210 919 1 2 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.093 -0.523 18210 920 1 2 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.410 -1.154 18210 921 1 2 . 1 1 54 54 SER HA H 54 4.106 4.106 4.299 -0.193 18210 922 1 2 . 1 1 54 54 SER C C 54 174.271 174.271 174.758 -0.487 18210 923 1 2 . 1 1 54 54 SER CA C 54 61.221 61.221 60.176 1.044 18210 924 1 2 . 1 1 54 54 SER CB C 54 63.243 63.243 63.228 0.015 18210 925 1 2 . 1 1 55 55 ASN N N 55 115.116 115.116 117.138 -2.022 18210 926 1 2 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.811 -0.138 18210 927 1 2 . 1 1 55 55 ASN C C 55 174.556 174.556 173.980 0.576 18210 928 1 2 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.610 0.254 18210 929 1 2 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.856 -1.932 18210 930 1 2 . 1 1 55 55 ASN H H 55 8.712 8.712 8.316 0.396 18210 931 1 2 . 1 1 56 56 TYR N N 56 120.489 120.489 118.219 2.270 18210 932 1 2 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.548 0.144 18210 933 1 2 . 1 1 56 56 TYR C C 56 176.019 176.019 175.046 0.973 18210 934 1 2 . 1 1 56 56 TYR CA C 56 57.469 57.469 58.301 -0.832 18210 935 1 2 . 1 1 56 56 TYR CB C 56 38.698 38.698 40.682 -1.984 18210 936 1 2 . 1 1 56 56 TYR H H 56 7.637 7.637 7.693 -0.056 18210 937 1 2 . 1 1 57 57 SER N N 57 117.381 117.381 115.747 1.634 18210 938 1 2 . 1 1 57 57 SER HA H 57 4.915 4.915 4.774 0.141 18210 939 1 2 . 1 1 57 57 SER C C 57 173.649 173.649 173.913 -0.264 18210 940 1 2 . 1 1 57 57 SER CA C 57 57.586 57.586 56.344 1.242 18210 941 1 2 . 1 1 57 57 SER CB C 57 64.766 64.766 64.103 0.663 18210 942 1 2 . 1 1 57 57 SER H H 57 9.323 9.323 8.395 0.928 18210 943 1 2 . 1 1 58 58 VAL N N 58 125.696 125.696 124.808 0.888 18210 944 1 2 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.490 0.322 18210 945 1 2 . 1 1 58 58 VAL C C 58 174.911 174.911 175.445 -0.534 18210 946 1 2 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.889 -0.000 18210 947 1 2 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.680 0.505 18210 948 1 2 . 1 1 58 58 VAL H H 58 8.474 8.474 8.790 -0.316 18210 949 1 2 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.878 -0.218 18210 950 1 2 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.991 -0.392 18210 951 1 2 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.033 -0.123 18210 952 1 2 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.630 0.070 18210 953 1 2 . 1 1 60 60 PRO C C 60 176.708 176.708 176.403 0.305 18210 954 1 2 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.080 -0.349 18210 955 1 2 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.515 1.491 18210 956 1 2 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.665 -0.302 18210 957 1 2 . 1 1 61 61 HIS C C 61 174.320 174.320 174.730 -0.410 18210 958 1 2 . 1 1 61 61 HIS CA C 61 58.473 58.473 58.037 0.436 18210 959 1 2 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.157 -2.642 18210 960 1 2 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.709 0.334 18210 961 1 2 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.238 -1.900 18210 962 1 2 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.481 -0.971 18210 963 1 2 . 1 1 63 63 CYS N N 63 120.346 120.346 118.039 2.307 18210 964 1 2 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.752 -0.529 18210 965 1 2 . 1 1 63 63 CYS C C 63 171.976 171.976 175.509 -3.533 18210 966 1 2 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.282 -0.778 18210 967 1 2 . 1 1 63 63 CYS CB C 63 41.081 41.081 28.017 13.064 18210 968 1 2 . 1 1 63 63 CYS H H 63 6.446 6.446 8.271 -1.825 18210 969 1 2 . 1 1 64 64 PHE N N 64 116.155 116.155 117.027 -0.872 18210 970 1 2 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.458 -0.238 18210 971 1 2 . 1 1 64 64 PHE C C 64 177.110 177.110 177.140 -0.030 18210 972 1 2 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.181 0.410 18210 973 1 2 . 1 1 64 64 PHE CB C 64 41.149 41.149 38.094 3.055 18210 974 1 2 . 1 1 64 64 PHE H H 64 7.697 7.697 7.808 -0.111 18210 975 1 2 . 1 1 65 65 VAL N N 65 119.794 119.794 119.175 0.619 18210 976 1 2 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.749 0.216 18210 977 1 2 . 1 1 65 65 VAL C C 65 176.948 176.948 176.379 0.569 18210 978 1 2 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.884 1.079 18210 979 1 2 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.878 -0.794 18210 980 1 2 . 1 1 65 65 VAL H H 65 8.449 8.449 7.074 1.375 18210 981 1 2 . 1 1 66 66 SER N N 66 113.648 113.648 112.337 1.311 18210 982 1 2 . 1 1 66 66 SER HA H 66 5.041 5.041 4.696 0.345 18210 983 1 2 . 1 1 66 66 SER C C 66 173.905 173.905 172.654 1.251 18210 984 1 2 . 1 1 66 66 SER CA C 66 56.701 56.701 56.916 -0.214 18210 985 1 2 . 1 1 66 66 SER CB C 66 65.738 65.738 63.904 1.834 18210 986 1 2 . 1 1 66 66 SER H H 66 7.706 7.706 7.589 0.117 18210 987 1 2 . 1 1 67 67 ALA N N 67 115.370 115.370 127.095 -11.725 18210 988 1 2 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.301 -0.257 18210 989 1 2 . 1 1 67 67 ALA C C 67 175.316 175.316 174.475 0.841 18210 990 1 2 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.683 0.439 18210 991 1 2 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.849 2.978 18210 992 1 2 . 1 1 67 67 ALA H H 67 9.280 9.280 8.249 1.031 18210 993 1 2 . 1 1 68 68 PHE N N 68 116.820 116.820 117.002 -0.182 18210 994 1 2 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.261 -0.262 18210 995 1 2 . 1 1 68 68 PHE C C 68 176.533 176.533 176.449 0.084 18210 996 1 2 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.956 0.581 18210 997 1 2 . 1 1 68 68 PHE CB C 68 38.964 38.964 40.042 -1.078 18210 998 1 2 . 1 1 68 68 PHE H H 68 8.520 8.520 8.533 -0.013 18210 999 1 2 . 1 1 69 69 ASN N N 69 118.203 118.203 119.252 -1.049 18210 1000 1 2 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.857 0.185 18210 1001 1 2 . 1 1 69 69 ASN C C 69 176.820 176.820 177.388 -0.568 18210 1002 1 2 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.038 -1.002 18210 1003 1 2 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.514 -0.020 18210 1004 1 2 . 1 1 69 69 ASN H H 69 8.498 8.498 8.681 -0.183 18210 1005 1 2 . 1 1 70 70 LEU N N 70 118.189 118.189 121.185 -2.996 18210 1006 1 2 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.466 -0.187 18210 1007 1 2 . 1 1 70 70 LEU C C 70 178.484 178.484 177.771 0.713 18210 1008 1 2 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.805 -0.041 18210 1009 1 2 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.807 -0.169 18210 1010 1 2 . 1 1 70 70 LEU H H 70 8.514 8.514 8.888 -0.374 18210 1011 1 2 . 1 1 71 71 SER N N 71 113.939 113.939 113.239 0.700 18210 1012 1 2 . 1 1 71 71 SER HA H 71 4.572 4.572 4.512 0.060 18210 1013 1 2 . 1 1 71 71 SER C C 71 174.682 174.682 175.196 -0.514 18210 1014 1 2 . 1 1 71 71 SER CA C 71 58.758 58.758 58.532 0.226 18210 1015 1 2 . 1 1 71 71 SER CB C 71 63.762 63.762 63.289 0.473 18210 1016 1 2 . 1 1 71 71 SER H H 71 8.049 8.049 8.053 -0.004 18210 1017 1 2 . 1 1 72 72 GLY N N 72 109.936 109.936 108.456 1.480 18210 1018 1 2 . 1 1 72 72 GLY C C 72 173.549 173.549 173.602 -0.053 18210 1019 1 2 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.602 0.035 18210 1020 1 2 . 1 1 72 72 GLY H H 72 8.641 8.641 7.902 0.739 18210 1021 1 2 . 1 1 73 73 LYS N N 73 119.884 119.884 118.985 0.899 18210 1022 1 2 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.559 -0.006 18210 1023 1 2 . 1 1 73 73 LYS C C 73 175.750 175.750 175.683 0.067 18210 1024 1 2 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.180 0.478 18210 1025 1 2 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.663 0.077 18210 1026 1 2 . 1 1 73 73 LYS H H 73 7.738 7.738 7.853 -0.115 18210 1027 1 2 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.400 0.120 18210 1028 1 2 . 1 1 74 74 ASN C C 74 174.680 174.680 174.866 -0.186 18210 1029 1 2 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.966 0.266 18210 1030 1 2 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.803 0.524 18210 1031 1 2 . 1 1 75 75 GLU N N 75 124.834 124.834 124.283 0.551 18210 1032 1 2 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.475 0.123 18210 1033 1 2 . 1 1 75 75 GLU C C 75 174.547 174.547 174.249 0.298 18210 1034 1 2 . 1 1 75 75 GLU CA C 75 54.887 54.887 54.845 0.042 18210 1035 1 2 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.844 -0.936 18210 1036 1 2 . 1 1 75 75 GLU H H 75 8.835 8.835 8.963 -0.128 18210 1037 1 2 . 1 1 76 76 ASN N N 76 121.549 121.549 118.469 3.080 18210 1038 1 2 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.980 -0.305 18210 1039 1 2 . 1 1 76 76 ASN C C 76 175.670 175.670 175.632 0.038 18210 1040 1 2 . 1 1 76 76 ASN CA C 76 54.120 54.120 52.579 1.541 18210 1041 1 2 . 1 1 76 76 ASN CB C 76 39.042 39.042 39.788 -0.746 18210 1042 1 2 . 1 1 76 76 ASN H H 76 8.580 8.580 8.551 0.029 18210 1043 1 2 . 1 1 77 77 LEU N N 77 125.808 125.808 125.701 0.107 18210 1044 1 2 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.485 -0.378 18210 1045 1 2 . 1 1 77 77 LEU C C 77 178.104 178.104 177.331 0.773 18210 1046 1 2 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.630 1.361 18210 1047 1 2 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.941 -0.557 18210 1048 1 2 . 1 1 77 77 LEU H H 77 8.610 8.610 8.316 0.294 18210 1049 1 2 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.075 -0.059 18210 1050 1 2 . 1 1 78 78 GLU C C 78 176.833 176.833 177.940 -1.107 18210 1051 1 2 . 1 1 78 78 GLU CA C 78 59.650 59.650 59.444 0.206 18210 1052 1 2 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.875 0.809 18210 1053 1 2 . 1 1 79 79 ASN N N 79 114.719 114.719 117.074 -2.355 18210 1054 1 2 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.494 0.070 18210 1055 1 2 . 1 1 79 79 ASN C C 79 175.510 175.510 177.649 -2.139 18210 1056 1 2 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.446 -1.054 18210 1057 1 2 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.763 0.955 18210 1058 1 2 . 1 1 79 79 ASN H H 79 8.257 8.257 8.463 -0.206 18210 1059 1 2 . 1 1 80 80 LYS N N 80 118.906 118.906 120.710 -1.804 18210 1060 1 2 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.159 0.134 18210 1061 1 2 . 1 1 80 80 LYS C C 80 175.748 175.748 177.094 -1.346 18210 1062 1 2 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.544 0.221 18210 1063 1 2 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.069 1.276 18210 1064 1 2 . 1 1 80 80 LYS H H 80 7.818 7.818 7.778 0.040 18210 1065 1 2 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.282 -0.132 18210 1066 1 2 . 1 1 81 81 LEU C C 81 174.688 174.688 174.727 -0.039 18210 1067 1 2 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.700 0.821 18210 1068 1 2 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.333 -1.270 18210 1069 1 2 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.250 -0.081 18210 1070 1 2 . 1 1 82 82 LYS C C 82 175.701 175.701 175.719 -0.018 18210 1071 1 2 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.411 0.757 18210 1072 1 2 . 1 1 82 82 LYS CB C 82 30.017 30.017 31.063 -1.046 18210 1073 1 2 . 1 1 83 83 LEU N N 83 120.762 120.762 125.839 -5.077 18210 1074 1 2 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.526 -0.106 18210 1075 1 2 . 1 1 83 83 LEU C C 83 177.184 177.184 177.479 -0.295 18210 1076 1 2 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.013 1.206 18210 1077 1 2 . 1 1 83 83 LEU CB C 83 42.311 42.311 43.545 -1.234 18210 1078 1 2 . 1 1 83 83 LEU H H 83 7.485 7.485 8.176 -0.691 18210 1079 1 2 . 1 1 84 84 THR N N 84 110.955 110.955 114.018 -3.063 18210 1080 1 2 . 1 1 84 84 THR HA H 84 4.712 4.712 4.605 0.107 18210 1081 1 2 . 1 1 84 84 THR C C 84 173.001 173.001 174.265 -1.264 18210 1082 1 2 . 1 1 84 84 THR CA C 84 59.883 59.883 60.703 -0.820 18210 1083 1 2 . 1 1 84 84 THR CB C 84 71.825 71.825 71.558 0.267 18210 1084 1 2 . 1 1 84 84 THR H H 84 8.519 8.519 8.611 -0.092 18210 1085 1 2 . 1 1 85 85 ASN N N 85 117.589 117.589 117.526 0.063 18210 1086 1 2 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.425 -0.279 18210 1087 1 2 . 1 1 85 85 ASN C C 85 173.572 173.572 173.784 -0.212 18210 1088 1 2 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.839 0.480 18210 1089 1 2 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.056 1.852 18210 1090 1 2 . 1 1 85 85 ASN H H 85 8.850 8.850 8.786 0.064 18210 1091 1 2 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.117 0.175 18210 1092 1 2 . 1 1 86 86 ILE C C 86 177.346 177.346 176.031 1.315 18210 1093 1 2 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.600 1.207 18210 1094 1 2 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.854 -0.155 18210 1095 1 2 . 1 1 87 87 ILE N N 87 131.807 131.807 129.104 2.703 18210 1096 1 2 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.498 -0.243 18210 1097 1 2 . 1 1 87 87 ILE C C 87 174.493 174.493 174.305 0.188 18210 1098 1 2 . 1 1 87 87 ILE CA C 87 60.152 60.152 59.984 0.168 18210 1099 1 2 . 1 1 87 87 ILE CB C 87 41.110 41.110 38.619 2.491 18210 1100 1 2 . 1 1 87 87 ILE H H 87 9.166 9.166 8.500 0.666 18210 1101 1 2 . 1 1 88 88 MET HA H 88 4.017 4.017 4.476 -0.459 18210 1102 1 2 . 1 1 88 88 MET C C 88 173.613 173.613 174.431 -0.818 18210 1103 1 2 . 1 1 88 88 MET CA C 88 53.287 53.287 54.734 -1.447 18210 1104 1 2 . 1 1 88 88 MET CB C 88 33.478 33.478 34.851 -1.373 18210 1105 1 2 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.867 -0.170 18210 1106 1 2 . 1 1 89 89 ASP C C 89 176.750 176.750 175.996 0.754 18210 1107 1 2 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.808 -0.707 18210 1108 1 2 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.253 -1.062 18210 1109 1 2 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.319 0.122 18210 1110 1 2 . 1 1 90 90 HIS C C 90 175.625 175.625 175.913 -0.288 18210 1111 1 2 . 1 1 90 90 HIS CA C 90 58.254 58.254 59.013 -0.759 18210 1112 1 2 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.345 -1.766 18210 1113 1 2 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.305 0.135 18210 1114 1 2 . 1 1 91 91 TYR C C 91 177.915 177.915 175.627 2.288 18210 1115 1 2 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.066 -0.306 18210 1116 1 2 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.478 -0.411 18210 1117 1 2 . 1 1 92 92 ASN N N 92 113.661 113.661 112.971 0.690 18210 1118 1 2 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.463 0.310 18210 1119 1 2 . 1 1 92 92 ASN C C 92 174.762 174.762 174.784 -0.022 18210 1120 1 2 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.721 -0.106 18210 1121 1 2 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.307 0.975 18210 1122 1 2 . 1 1 92 92 ASN H H 92 7.713 7.713 8.416 -0.703 18210 1123 1 2 . 1 1 93 93 ASN N N 93 125.176 125.176 114.375 10.801 18210 1124 1 2 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.384 0.325 18210 1125 1 2 . 1 1 93 93 ASN C C 93 172.729 172.729 173.270 -0.541 18210 1126 1 2 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.441 -1.706 18210 1127 1 2 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.700 1.261 18210 1128 1 2 . 1 1 93 93 ASN H H 93 7.804 7.804 7.880 -0.076 18210 1129 1 2 . 1 1 94 94 THR N N 94 109.900 109.900 112.220 -2.320 18210 1130 1 2 . 1 1 94 94 THR HA H 94 4.852 4.852 5.044 -0.192 18210 1131 1 2 . 1 1 94 94 THR C C 94 170.824 170.824 171.860 -1.036 18210 1132 1 2 . 1 1 94 94 THR CA C 94 61.817 61.817 60.398 1.419 18210 1133 1 2 . 1 1 94 94 THR CB C 94 71.074 71.074 71.348 -0.274 18210 1134 1 2 . 1 1 94 94 THR H H 94 7.654 7.654 7.373 0.281 18210 1135 1 2 . 1 1 95 95 PHE N N 95 126.721 126.721 124.720 2.001 18210 1136 1 2 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.262 -0.154 18210 1137 1 2 . 1 1 95 95 PHE C C 95 174.143 174.143 174.074 0.069 18210 1138 1 2 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.572 -0.003 18210 1139 1 2 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.717 0.076 18210 1140 1 2 . 1 1 95 95 PHE H H 95 8.166 8.166 7.787 0.379 18210 1141 1 2 . 1 1 96 96 TYR N N 96 115.709 115.709 119.567 -3.858 18210 1142 1 2 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.548 0.519 18210 1143 1 2 . 1 1 96 96 TYR C C 96 175.734 175.734 175.080 0.654 18210 1144 1 2 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.586 -0.154 18210 1145 1 2 . 1 1 96 96 TYR CB C 96 44.167 44.167 43.016 1.151 18210 1146 1 2 . 1 1 96 96 TYR H H 96 9.149 9.149 8.546 0.603 18210 1147 1 2 . 1 1 97 97 SER N N 97 109.503 109.503 113.976 -4.473 18210 1148 1 2 . 1 1 97 97 SER HA H 97 4.430 4.430 4.939 -0.509 18210 1149 1 2 . 1 1 97 97 SER C C 97 170.684 170.684 173.069 -2.385 18210 1150 1 2 . 1 1 97 97 SER CA C 97 59.324 59.324 57.586 1.738 18210 1151 1 2 . 1 1 97 97 SER CB C 97 66.341 66.341 66.877 -0.536 18210 1152 1 2 . 1 1 97 97 SER H H 97 8.921 8.921 9.110 -0.189 18210 1153 1 2 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.773 0.621 18210 1154 1 2 . 1 1 98 98 ARG C C 98 175.850 175.850 175.125 0.725 18210 1155 1 2 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.606 -0.430 18210 1156 1 2 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.001 1.126 18210 1157 1 2 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.643 -0.313 18210 1158 1 2 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.594 1.212 18210 1159 1 2 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.663 -1.760 18210 1160 1 2 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.370 0.306 18210 1161 1 2 . 1 1 100 100 PRO C C 100 175.744 175.744 176.880 -1.136 18210 1162 1 2 . 1 1 100 100 PRO CA C 100 62.289 62.289 62.989 -0.700 18210 1163 1 2 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.796 -0.010 18210 1164 1 2 . 1 1 101 101 SER HA H 101 4.126 4.126 4.234 -0.108 18210 1165 1 2 . 1 1 101 101 SER C C 101 173.214 173.214 174.121 -0.907 18210 1166 1 2 . 1 1 101 101 SER CA C 101 60.265 60.265 59.993 0.272 18210 1167 1 2 . 1 1 101 101 SER CB C 101 63.660 63.660 63.410 0.250 18210 1168 1 2 . 1 1 102 102 LEU N N 102 121.389 121.389 121.487 -0.098 18210 1169 1 2 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.531 0.001 18210 1170 1 2 . 1 1 102 102 LEU C C 102 175.187 175.187 175.188 -0.001 18210 1171 1 2 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.708 -0.022 18210 1172 1 2 . 1 1 102 102 LEU CB C 102 44.380 44.380 43.518 0.862 18210 1173 1 2 . 1 1 102 102 LEU H H 102 7.179 7.179 7.455 -0.276 18210 1174 1 2 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.386 0.057 18210 1175 1 2 . 1 1 103 103 ILE C C 103 175.490 175.490 175.751 -0.261 18210 1176 1 2 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.623 -1.714 18210 1177 1 2 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.286 0.392 18210 1178 1 2 . 1 1 104 104 SER N N 104 120.807 120.807 119.638 1.169 18210 1179 1 2 . 1 1 104 104 SER HA H 104 4.581 4.581 4.700 -0.119 18210 1180 1 2 . 1 1 104 104 SER C C 104 173.234 173.234 173.887 -0.653 18210 1181 1 2 . 1 1 104 104 SER CA C 104 58.166 58.166 58.151 0.015 18210 1182 1 2 . 1 1 104 104 SER CB C 104 64.341 64.341 64.065 0.276 18210 1183 1 2 . 1 1 104 104 SER H H 104 8.471 8.471 8.370 0.101 18210 1184 1 2 . 1 1 105 105 ASP N N 105 119.103 119.103 121.538 -2.435 18210 1185 1 2 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.759 -0.110 18210 1186 1 2 . 1 1 105 105 ASP C C 105 174.991 174.991 175.626 -0.635 18210 1187 1 2 . 1 1 105 105 ASP CA C 105 53.734 53.734 53.752 -0.018 18210 1188 1 2 . 1 1 105 105 ASP CB C 105 42.477 42.477 42.317 0.160 18210 1189 1 2 . 1 1 105 105 ASP H H 105 8.060 8.060 7.875 0.185 18210 1190 1 2 . 1 1 106 106 ASN N N 106 116.036 116.036 118.999 -2.963 18210 1191 1 2 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.822 -0.087 18210 1192 1 2 . 1 1 106 106 ASN C C 106 174.308 174.308 175.424 -1.116 18210 1193 1 2 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.726 1.054 18210 1194 1 2 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.210 0.812 18210 1195 1 2 . 1 1 106 106 ASN H H 106 8.389 8.389 8.456 -0.067 18210 1196 1 2 . 1 1 107 107 TRP N N 107 119.645 119.645 120.255 -0.610 18210 1197 1 2 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.612 0.217 18210 1198 1 2 . 1 1 107 107 TRP C C 107 174.949 174.949 174.412 0.537 18210 1199 1 2 . 1 1 107 107 TRP CA C 107 56.192 56.192 55.895 0.297 18210 1200 1 2 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.786 2.427 18210 1201 1 2 . 1 1 107 107 TRP H H 107 7.846 7.846 7.709 0.137 18210 1202 1 2 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.555 0.907 18210 1203 1 2 . 1 1 108 108 LYS C C 108 174.986 174.986 174.814 0.172 18210 1204 1 2 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.550 0.646 18210 1205 1 2 . 1 1 108 108 LYS CB C 108 36.215 36.215 35.649 0.566 18210 1206 1 2 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.325 0.220 18210 1207 1 2 . 1 1 109 109 PHE C C 109 172.950 172.950 172.447 0.503 18210 1208 1 2 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.281 0.139 18210 1209 1 2 . 1 1 109 109 PHE CB C 109 41.891 41.891 41.779 0.112 18210 1210 1 2 . 1 1 110 110 PHE N N 110 115.390 115.390 114.422 0.968 18210 1211 1 2 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.105 0.927 18210 1212 1 2 . 1 1 110 110 PHE C C 110 173.892 173.892 173.559 0.333 18210 1213 1 2 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.620 0.612 18210 1214 1 2 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.841 2.525 18210 1215 1 2 . 1 1 110 110 PHE H H 110 9.267 9.267 7.628 1.639 18210 1216 1 2 . 1 1 111 111 CYS N N 111 116.463 116.463 117.845 -1.382 18210 1217 1 2 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.950 0.111 18210 1218 1 2 . 1 1 111 111 CYS C C 111 171.900 171.900 173.105 -1.205 18210 1219 1 2 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.821 -3.969 18210 1220 1 2 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.007 16.823 18210 1221 1 2 . 1 1 111 111 CYS H H 111 9.274 9.274 8.986 0.288 18210 1222 1 2 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.125 0.077 18210 1223 1 2 . 1 1 112 112 VAL C C 112 175.041 175.041 174.390 0.651 18210 1224 1 2 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.671 -0.228 18210 1225 1 2 . 1 1 112 112 VAL CB C 112 36.577 36.577 35.962 0.615 18210 1226 1 2 . 1 1 112 112 VAL H H 112 9.605 9.605 8.288 1.317 18210 1227 1 2 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.528 0.232 18210 1228 1 2 . 1 1 113 113 CYS C C 113 173.601 173.601 173.576 0.025 18210 1229 1 2 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.421 -4.600 18210 1230 1 2 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.519 14.427 18210 1231 1 2 . 1 1 114 114 SER N N 114 117.968 117.968 118.430 -0.462 18210 1232 1 2 . 1 1 114 114 SER HA H 114 5.093 5.093 5.041 0.052 18210 1233 1 2 . 1 1 114 114 SER C C 114 172.267 172.267 172.710 -0.443 18210 1234 1 2 . 1 1 114 114 SER CA C 114 56.677 56.677 57.730 -1.053 18210 1235 1 2 . 1 1 114 114 SER CB C 114 66.795 66.795 65.618 1.177 18210 1236 1 2 . 1 1 114 114 SER H H 114 9.250 9.250 9.318 -0.068 18210 1237 1 2 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.549 -0.443 18210 1238 1 2 . 1 1 115 115 LYS C C 115 174.527 174.527 174.227 0.300 18210 1239 1 2 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.231 0.691 18210 1240 1 2 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.517 -2.508 18210 1241 1 2 . 1 1 115 115 LYS H H 115 8.705 8.705 8.466 0.239 18210 1242 1 2 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.456 -0.265 18210 1243 1 2 . 1 1 116 116 ASP C C 116 176.002 176.002 176.291 -0.289 18210 1244 1 2 . 1 1 116 116 ASP CA C 116 56.314 56.314 54.592 1.722 18210 1245 1 2 . 1 1 116 116 ASP CB C 116 40.447 40.447 41.110 -0.663 18210 1246 1 2 . 1 1 117 117 ASN N N 117 116.913 116.913 118.453 -1.540 18210 1247 1 2 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.171 0.268 18210 1248 1 2 . 1 1 117 117 ASN C C 117 174.246 174.246 173.555 0.691 18210 1249 1 2 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.564 -0.131 18210 1250 1 2 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.009 0.173 18210 1251 1 2 . 1 1 117 117 ASN H H 117 8.752 8.752 8.579 0.173 18210 1252 1 2 . 1 1 118 118 GLU N N 118 116.615 116.615 117.825 -1.210 18210 1253 1 2 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.486 0.274 18210 1254 1 2 . 1 1 118 118 GLU C C 118 177.397 177.397 175.755 1.642 18210 1255 1 2 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.239 -0.930 18210 1256 1 2 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.418 -2.327 18210 1257 1 2 . 1 1 118 118 GLU H H 118 7.819 7.819 8.181 -0.362 18210 1258 1 2 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.092 0.073 18210 1259 1 2 . 1 1 119 119 LYS C C 119 177.626 177.626 176.660 0.966 18210 1260 1 2 . 1 1 119 119 LYS CA C 119 57.540 57.540 57.141 0.399 18210 1261 1 2 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.847 -0.002 18210 1262 1 2 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.367 -0.062 18210 1263 1 2 . 1 1 120 120 LYS C C 120 174.312 174.312 175.425 -1.113 18210 1264 1 2 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.825 1.281 18210 1265 1 2 . 1 1 120 120 LYS CB C 120 33.188 33.188 34.004 -0.816 18210 1266 1 2 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.443 0.116 18210 1267 1 2 . 1 1 121 121 LEU C C 121 174.893 174.893 175.061 -0.168 18210 1268 1 2 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.533 -0.929 18210 1269 1 2 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.776 -3.170 18210 1270 1 2 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.577 -0.216 18210 1271 1 2 . 1 1 122 122 VAL C C 122 173.909 173.909 174.219 -0.310 18210 1272 1 2 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.323 0.705 18210 1273 1 2 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.817 -0.223 18210 1274 1 2 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.888 0.287 18210 1275 1 2 . 1 1 123 123 PHE C C 123 173.230 173.230 173.163 0.067 18210 1276 1 2 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.212 0.102 18210 1277 1 2 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.433 -0.601 18210 1278 1 2 . 1 1 124 124 THR N N 124 121.688 121.688 124.000 -2.312 18210 1279 1 2 . 1 1 124 124 THR HA H 124 4.885 4.885 4.708 0.177 18210 1280 1 2 . 1 1 124 124 THR C C 124 170.874 170.874 172.167 -1.293 18210 1281 1 2 . 1 1 124 124 THR CA C 124 60.087 60.087 59.623 0.464 18210 1282 1 2 . 1 1 124 124 THR CB C 124 70.942 70.942 70.846 0.096 18210 1283 1 2 . 1 1 124 124 THR H H 124 8.493 8.493 8.053 0.440 18210 1284 1 2 . 1 1 125 125 VAL N N 125 125.781 125.781 120.277 5.504 18210 1285 1 2 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.009 -0.493 18210 1286 1 2 . 1 1 125 125 VAL C C 125 173.796 173.796 173.026 0.770 18210 1287 1 2 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.412 1.380 18210 1288 1 2 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.169 -1.935 18210 1289 1 2 . 1 1 125 125 VAL H H 125 8.275 8.275 7.791 0.484 18210 1290 1 2 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.765 0.124 18210 1291 1 2 . 1 1 126 126 GLU C C 126 173.519 173.519 174.585 -1.066 18210 1292 1 2 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.511 -0.545 18210 1293 1 2 . 1 1 126 126 GLU CB C 126 32.962 32.962 34.356 -1.394 18210 1294 1 2 . 1 1 126 126 GLU H H 126 8.262 8.262 7.796 0.466 18210 1295 1 3 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.321 -0.152 18210 1296 1 3 . 1 1 2 2 LYS C C 2 176.160 176.160 176.248 -0.088 18210 1297 1 3 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.862 0.103 18210 1298 1 3 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.084 0.181 18210 1299 1 3 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.129 -0.216 18210 1300 1 3 . 1 1 3 3 VAL C C 3 175.820 175.820 175.705 0.115 18210 1301 1 3 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.629 0.859 18210 1302 1 3 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.553 0.227 18210 1303 1 3 . 1 1 4 4 LYS N N 4 129.029 129.029 128.028 1.001 18210 1304 1 3 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.595 -0.088 18210 1305 1 3 . 1 1 4 4 LYS C C 4 174.923 174.923 176.040 -1.117 18210 1306 1 3 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.285 1.018 18210 1307 1 3 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.032 0.219 18210 1308 1 3 . 1 1 4 4 LYS H H 4 8.507 8.507 8.435 0.072 18210 1309 1 3 . 1 1 5 5 GLY N N 5 110.242 110.242 109.767 0.475 18210 1310 1 3 . 1 1 5 5 GLY C C 5 173.333 173.333 171.786 1.547 18210 1311 1 3 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.427 0.837 18210 1312 1 3 . 1 1 5 5 GLY H H 5 8.138 8.138 8.162 -0.024 18210 1313 1 3 . 1 1 6 6 CYS N N 6 114.306 114.306 120.060 -5.754 18210 1314 1 3 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.040 0.211 18210 1315 1 3 . 1 1 6 6 CYS C C 6 170.891 170.891 173.109 -2.218 18210 1316 1 3 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.484 -2.635 18210 1317 1 3 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.211 21.939 18210 1318 1 3 . 1 1 6 6 CYS H H 6 6.750 6.750 8.154 -1.404 18210 1319 1 3 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.907 -0.159 18210 1320 1 3 . 1 1 7 7 ASP C C 7 175.607 175.607 175.514 0.093 18210 1321 1 3 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.590 -0.352 18210 1322 1 3 . 1 1 7 7 ASP CB C 7 41.617 41.617 41.896 -0.279 18210 1323 1 3 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.664 0.213 18210 1324 1 3 . 1 1 8 8 PHE C C 8 173.972 173.972 176.040 -2.068 18210 1325 1 3 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.686 0.769 18210 1326 1 3 . 1 1 8 8 PHE CB C 8 39.219 39.219 39.336 -0.117 18210 1327 1 3 . 1 1 9 9 THR N N 9 105.421 105.421 112.857 -7.436 18210 1328 1 3 . 1 1 9 9 THR HA H 9 4.611 4.611 4.481 0.130 18210 1329 1 3 . 1 1 9 9 THR C C 9 174.505 174.505 174.189 0.316 18210 1330 1 3 . 1 1 9 9 THR CA C 9 61.988 61.988 62.924 -0.936 18210 1331 1 3 . 1 1 9 9 THR CB C 9 70.385 70.385 70.070 0.315 18210 1332 1 3 . 1 1 9 9 THR H H 9 8.996 8.996 8.376 0.620 18210 1333 1 3 . 1 1 10 10 THR N N 10 118.757 118.757 115.688 3.069 18210 1334 1 3 . 1 1 10 10 THR HA H 10 4.526 4.526 4.608 -0.082 18210 1335 1 3 . 1 1 10 10 THR C C 10 171.202 171.202 174.072 -2.870 18210 1336 1 3 . 1 1 10 10 THR CA C 10 60.774 60.774 61.666 -0.892 18210 1337 1 3 . 1 1 10 10 THR CB C 10 68.040 68.040 71.889 -3.849 18210 1338 1 3 . 1 1 10 10 THR H H 10 7.199 7.199 7.478 -0.279 18210 1339 1 3 . 1 1 11 11 SER N N 11 117.117 117.117 119.112 -1.995 18210 1340 1 3 . 1 1 11 11 SER HA H 11 3.907 3.907 4.244 -0.337 18210 1341 1 3 . 1 1 11 11 SER C C 11 174.988 174.988 174.313 0.675 18210 1342 1 3 . 1 1 11 11 SER CA C 11 59.563 59.563 60.445 -0.882 18210 1343 1 3 . 1 1 11 11 SER CB C 11 63.599 63.599 63.701 -0.102 18210 1344 1 3 . 1 1 11 11 SER H H 11 7.997 7.997 8.585 -0.588 18210 1345 1 3 . 1 1 12 12 GLU N N 12 125.013 125.013 120.079 4.934 18210 1346 1 3 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.445 0.120 18210 1347 1 3 . 1 1 12 12 GLU C C 12 175.108 175.108 175.421 -0.313 18210 1348 1 3 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.453 -1.194 18210 1349 1 3 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.563 0.365 18210 1350 1 3 . 1 1 12 12 GLU H H 12 8.375 8.375 8.125 0.250 18210 1351 1 3 . 1 1 13 13 SER N N 13 114.959 114.959 117.283 -2.324 18210 1352 1 3 . 1 1 13 13 SER HA H 13 4.130 4.130 4.414 -0.284 18210 1353 1 3 . 1 1 13 13 SER C C 13 176.833 176.833 174.802 2.031 18210 1354 1 3 . 1 1 13 13 SER CA C 13 58.707 58.707 58.855 -0.148 18210 1355 1 3 . 1 1 13 13 SER CB C 13 63.598 63.598 64.110 -0.512 18210 1356 1 3 . 1 1 13 13 SER H H 13 7.879 7.879 8.281 -0.402 18210 1357 1 3 . 1 1 14 14 THR N N 14 117.688 117.688 118.749 -1.061 18210 1358 1 3 . 1 1 14 14 THR HA H 14 4.348 4.348 4.507 -0.159 18210 1359 1 3 . 1 1 14 14 THR C C 14 174.550 174.550 175.071 -0.521 18210 1360 1 3 . 1 1 14 14 THR CA C 14 62.435 62.435 62.368 0.067 18210 1361 1 3 . 1 1 14 14 THR CB C 14 69.114 69.114 69.077 0.037 18210 1362 1 3 . 1 1 14 14 THR H H 14 8.978 8.978 8.755 0.223 18210 1363 1 3 . 1 1 15 15 ILE N N 15 118.851 118.851 114.022 4.829 18210 1364 1 3 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.356 -0.318 18210 1365 1 3 . 1 1 15 15 ILE C C 15 175.389 175.389 173.685 1.704 18210 1366 1 3 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.770 1.930 18210 1367 1 3 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.710 1.737 18210 1368 1 3 . 1 1 15 15 ILE H H 15 7.947 7.947 7.393 0.554 18210 1369 1 3 . 1 1 16 16 PHE N N 16 116.409 116.409 120.119 -3.710 18210 1370 1 3 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.382 0.136 18210 1371 1 3 . 1 1 16 16 PHE C C 16 176.700 176.700 175.632 1.068 18210 1372 1 3 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.860 0.602 18210 1373 1 3 . 1 1 16 16 PHE CB C 16 42.712 42.712 41.408 1.304 18210 1374 1 3 . 1 1 16 16 PHE H H 16 7.792 7.792 7.698 0.094 18210 1375 1 3 . 1 1 17 17 SER N N 17 114.126 114.126 116.737 -2.611 18210 1376 1 3 . 1 1 17 17 SER HA H 17 3.984 3.984 4.331 -0.347 18210 1377 1 3 . 1 1 17 17 SER C C 17 174.203 174.203 174.716 -0.513 18210 1378 1 3 . 1 1 17 17 SER CA C 17 61.176 61.176 60.846 0.330 18210 1379 1 3 . 1 1 17 17 SER CB C 17 63.438 63.438 63.635 -0.197 18210 1380 1 3 . 1 1 17 17 SER H H 17 8.666 8.666 8.649 0.017 18210 1381 1 3 . 1 1 18 18 LYS N N 18 122.828 122.828 120.120 2.708 18210 1382 1 3 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.587 0.171 18210 1383 1 3 . 1 1 18 18 LYS C C 18 174.029 174.029 175.035 -1.006 18210 1384 1 3 . 1 1 18 18 LYS CA C 18 55.661 55.661 54.604 1.057 18210 1385 1 3 . 1 1 18 18 LYS CB C 18 35.049 35.049 35.017 0.032 18210 1386 1 3 . 1 1 18 18 LYS H H 18 8.031 8.031 7.398 0.633 18210 1387 1 3 . 1 1 19 19 GLY N N 19 112.051 112.051 108.704 3.347 18210 1388 1 3 . 1 1 19 19 GLY C C 19 172.307 172.307 172.656 -0.349 18210 1389 1 3 . 1 1 19 19 GLY CA C 19 44.946 44.946 44.928 0.018 18210 1390 1 3 . 1 1 19 19 GLY H H 19 8.092 8.092 8.101 -0.009 18210 1391 1 3 . 1 1 20 20 TYR N N 20 120.060 120.060 120.145 -0.085 18210 1392 1 3 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.699 -0.129 18210 1393 1 3 . 1 1 20 20 TYR C C 20 173.557 173.557 174.621 -1.064 18210 1394 1 3 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.559 -0.046 18210 1395 1 3 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.053 1.038 18210 1396 1 3 . 1 1 20 20 TYR H H 20 7.968 7.968 8.667 -0.699 18210 1397 1 3 . 1 1 21 21 SER N N 21 115.201 115.201 115.271 -0.070 18210 1398 1 3 . 1 1 21 21 SER HA H 21 4.562 4.562 4.708 -0.146 18210 1399 1 3 . 1 1 21 21 SER C C 21 176.172 176.172 176.390 -0.218 18210 1400 1 3 . 1 1 21 21 SER CA C 21 56.537 56.537 55.788 0.749 18210 1401 1 3 . 1 1 21 21 SER CB C 21 65.257 65.257 64.958 0.299 18210 1402 1 3 . 1 1 21 21 SER H H 21 8.761 8.761 8.361 0.400 18210 1403 1 3 . 1 1 22 22 ILE N N 22 122.867 122.867 120.518 2.349 18210 1404 1 3 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.878 0.281 18210 1405 1 3 . 1 1 22 22 ILE C C 22 177.561 177.561 176.720 0.841 18210 1406 1 3 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.285 -0.572 18210 1407 1 3 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.701 0.154 18210 1408 1 3 . 1 1 22 22 ILE H H 22 8.646 8.646 8.716 -0.070 18210 1409 1 3 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.463 0.082 18210 1410 1 3 . 1 1 23 23 ASN C C 23 176.647 176.647 177.170 -0.523 18210 1411 1 3 . 1 1 23 23 ASN CA C 23 55.506 55.506 56.388 -0.882 18210 1412 1 3 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.256 0.197 18210 1413 1 3 . 1 1 24 24 GLU N N 24 118.601 118.601 119.892 -1.291 18210 1414 1 3 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.035 0.251 18210 1415 1 3 . 1 1 24 24 GLU C C 24 177.998 177.998 179.153 -1.155 18210 1416 1 3 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.445 -1.139 18210 1417 1 3 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.313 1.345 18210 1418 1 3 . 1 1 24 24 GLU H H 24 7.837 7.837 7.824 0.013 18210 1419 1 3 . 1 1 25 25 ILE HA H 25 4.173 4.173 3.638 0.535 18210 1420 1 3 . 1 1 25 25 ILE C C 25 176.641 176.641 178.137 -1.496 18210 1421 1 3 . 1 1 25 25 ILE CA C 25 62.612 62.612 64.937 -2.325 18210 1422 1 3 . 1 1 25 25 ILE CB C 25 38.360 38.360 37.225 1.135 18210 1423 1 3 . 1 1 26 26 SER N N 26 116.293 116.293 117.009 -0.716 18210 1424 1 3 . 1 1 26 26 SER HA H 26 4.663 4.663 4.111 0.552 18210 1425 1 3 . 1 1 26 26 SER C C 26 174.462 174.462 176.985 -2.523 18210 1426 1 3 . 1 1 26 26 SER CA C 26 58.392 58.392 62.001 -3.609 18210 1427 1 3 . 1 1 26 26 SER CB C 26 64.380 64.380 63.048 1.332 18210 1428 1 3 . 1 1 26 26 SER H H 26 7.813 7.813 7.907 -0.094 18210 1429 1 3 . 1 1 27 27 ASN N N 27 121.919 121.919 120.379 1.540 18210 1430 1 3 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.642 0.079 18210 1431 1 3 . 1 1 27 27 ASN C C 27 175.869 175.869 177.269 -1.400 18210 1432 1 3 . 1 1 27 27 ASN CA C 27 54.010 54.010 55.626 -1.616 18210 1433 1 3 . 1 1 27 27 ASN CB C 27 38.640 38.640 38.555 0.085 18210 1434 1 3 . 1 1 27 27 ASN H H 27 8.521 8.521 8.579 -0.058 18210 1435 1 3 . 1 1 28 28 LYS N N 28 121.697 121.697 119.027 2.670 18210 1436 1 3 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.107 0.253 18210 1437 1 3 . 1 1 28 28 LYS C C 28 176.952 176.952 177.746 -0.794 18210 1438 1 3 . 1 1 28 28 LYS CA C 28 56.967 56.967 58.735 -1.768 18210 1439 1 3 . 1 1 28 28 LYS CB C 28 32.730 32.730 32.233 0.496 18210 1440 1 3 . 1 1 28 28 LYS H H 28 8.367 8.367 8.707 -0.340 18210 1441 1 3 . 1 1 29 29 SER HA H 29 4.498 4.498 4.839 -0.341 18210 1442 1 3 . 1 1 29 29 SER C C 29 174.741 174.741 175.505 -0.764 18210 1443 1 3 . 1 1 29 29 SER CA C 29 58.557 58.557 59.477 -0.921 18210 1444 1 3 . 1 1 29 29 SER CB C 29 63.945 63.945 64.117 -0.172 18210 1445 1 3 . 1 1 30 30 SER N N 30 116.470 116.470 117.838 -1.368 18210 1446 1 3 . 1 1 30 30 SER HA H 30 4.429 4.429 4.279 0.150 18210 1447 1 3 . 1 1 30 30 SER C C 30 174.467 174.467 175.319 -0.852 18210 1448 1 3 . 1 1 30 30 SER CA C 30 58.616 58.616 60.799 -2.183 18210 1449 1 3 . 1 1 30 30 SER CB C 30 63.834 63.834 63.450 0.384 18210 1450 1 3 . 1 1 30 30 SER H H 30 8.140 8.140 8.077 0.063 18210 1451 1 3 . 1 1 31 31 ASN N N 31 119.457 119.457 118.834 0.623 18210 1452 1 3 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.708 -0.011 18210 1453 1 3 . 1 1 31 31 ASN C C 31 174.930 174.930 175.001 -0.071 18210 1454 1 3 . 1 1 31 31 ASN CA C 31 53.583 53.583 54.566 -0.983 18210 1455 1 3 . 1 1 31 31 ASN CB C 31 38.733 38.733 39.616 -0.883 18210 1456 1 3 . 1 1 31 31 ASN H H 31 8.354 8.354 8.153 0.201 18210 1457 1 3 . 1 1 32 32 ASN N N 32 118.038 118.038 119.707 -1.669 18210 1458 1 3 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.843 -0.145 18210 1459 1 3 . 1 1 32 32 ASN C C 32 174.979 174.979 174.066 0.913 18210 1460 1 3 . 1 1 32 32 ASN CA C 32 53.580 53.580 51.223 2.357 18210 1461 1 3 . 1 1 32 32 ASN CB C 32 38.810 38.810 37.540 1.270 18210 1462 1 3 . 1 1 32 32 ASN H H 32 8.218 8.218 7.968 0.250 18210 1463 1 3 . 1 1 33 33 GLN N N 33 119.603 119.603 120.910 -1.307 18210 1464 1 3 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.338 0.015 18210 1465 1 3 . 1 1 33 33 GLN C C 33 175.735 175.735 175.367 0.368 18210 1466 1 3 . 1 1 33 33 GLN CA C 33 55.883 55.883 55.955 -0.072 18210 1467 1 3 . 1 1 33 33 GLN CB C 33 29.131 29.131 27.290 1.841 18210 1468 1 3 . 1 1 33 33 GLN H H 33 8.337 8.337 8.659 -0.322 18210 1469 1 3 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.563 -0.285 18210 1470 1 3 . 1 1 34 34 GLN C C 34 175.170 175.170 173.970 1.200 18210 1471 1 3 . 1 1 34 34 GLN CA C 34 56.102 56.102 54.109 1.993 18210 1472 1 3 . 1 1 34 34 GLN CB C 34 29.870 29.870 30.410 -0.539 18210 1473 1 3 . 1 1 34 34 GLN H H 34 8.087 8.087 7.954 0.133 18210 1474 1 3 . 1 1 35 35 ASP HA H 35 4.720 4.720 4.825 -0.105 18210 1475 1 3 . 1 1 35 35 ASP C C 35 175.810 175.810 176.152 -0.342 18210 1476 1 3 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.361 0.930 18210 1477 1 3 . 1 1 35 35 ASP CB C 35 41.462 41.462 41.415 0.047 18210 1478 1 3 . 1 1 35 35 ASP H H 35 8.033 8.033 8.336 -0.303 18210 1479 1 3 . 1 1 36 36 ILE N N 36 122.378 122.378 123.564 -1.186 18210 1480 1 3 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.145 -0.081 18210 1481 1 3 . 1 1 36 36 ILE C C 36 173.823 173.823 175.034 -1.211 18210 1482 1 3 . 1 1 36 36 ILE CA C 36 60.506 60.506 60.425 0.081 18210 1483 1 3 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.213 0.499 18210 1484 1 3 . 1 1 36 36 ILE H H 36 8.421 8.421 8.125 0.296 18210 1485 1 3 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.693 -0.186 18210 1486 1 3 . 1 1 37 37 VAL C C 37 174.956 174.956 175.627 -0.671 18210 1487 1 3 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.616 0.919 18210 1488 1 3 . 1 1 37 37 VAL CB C 37 32.932 32.932 33.506 -0.574 18210 1489 1 3 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.685 0.096 18210 1490 1 3 . 1 1 38 38 CYS C C 38 172.106 172.106 174.748 -2.642 18210 1491 1 3 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.305 -3.087 18210 1492 1 3 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.635 23.322 18210 1493 1 3 . 1 1 39 39 THR N N 39 123.385 123.385 123.709 -0.324 18210 1494 1 3 . 1 1 39 39 THR HA H 39 4.998 4.998 4.762 0.236 18210 1495 1 3 . 1 1 39 39 THR C C 39 174.687 174.687 173.943 0.744 18210 1496 1 3 . 1 1 39 39 THR CA C 39 61.514 61.514 62.546 -1.032 18210 1497 1 3 . 1 1 39 39 THR CB C 39 69.880 69.880 69.472 0.408 18210 1498 1 3 . 1 1 39 39 THR H H 39 8.229 8.229 8.607 -0.378 18210 1499 1 3 . 1 1 40 40 VAL N N 40 125.782 125.782 123.150 2.632 18210 1500 1 3 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.538 -0.258 18210 1501 1 3 . 1 1 40 40 VAL C C 40 173.622 173.622 174.144 -0.522 18210 1502 1 3 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.577 0.830 18210 1503 1 3 . 1 1 40 40 VAL CB C 40 34.800 34.800 34.693 0.107 18210 1504 1 3 . 1 1 40 40 VAL H H 40 8.892 8.892 7.965 0.927 18210 1505 1 3 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.691 0.214 18210 1506 1 3 . 1 1 41 41 LYS C C 41 175.624 175.624 175.958 -0.334 18210 1507 1 3 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.211 -0.964 18210 1508 1 3 . 1 1 41 41 LYS CB C 41 31.902 31.902 32.893 -0.991 18210 1509 1 3 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.572 -0.265 18210 1510 1 3 . 1 1 42 42 ALA C C 42 175.028 175.028 175.360 -0.332 18210 1511 1 3 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.057 0.487 18210 1512 1 3 . 1 1 42 42 ALA CB C 42 22.233 22.233 20.774 1.459 18210 1513 1 3 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.775 0.004 18210 1514 1 3 . 1 1 43 43 HIS C C 43 172.767 172.767 174.898 -2.131 18210 1515 1 3 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.621 -2.020 18210 1516 1 3 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.642 -2.343 18210 1517 1 3 . 1 1 43 43 HIS H H 43 8.722 8.722 8.529 0.193 18210 1518 1 3 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.075 -0.035 18210 1519 1 3 . 1 1 44 44 ALA C C 44 178.087 178.087 178.014 0.073 18210 1520 1 3 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.281 -0.419 18210 1521 1 3 . 1 1 44 44 ALA CB C 44 19.024 19.024 18.921 0.103 18210 1522 1 3 . 1 1 44 44 ALA H H 44 8.468 8.468 8.076 0.392 18210 1523 1 3 . 1 1 45 45 ASN N N 45 113.483 113.483 112.796 0.687 18210 1524 1 3 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.816 -0.474 18210 1525 1 3 . 1 1 45 45 ASN C C 45 174.441 174.441 174.459 -0.018 18210 1526 1 3 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.012 2.316 18210 1527 1 3 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.499 -0.820 18210 1528 1 3 . 1 1 45 45 ASN H H 45 7.356 7.356 8.452 -1.096 18210 1529 1 3 . 1 1 46 46 ASP N N 46 120.941 120.941 120.166 0.775 18210 1530 1 3 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.769 -0.178 18210 1531 1 3 . 1 1 46 46 ASP C C 46 175.724 175.724 175.850 -0.126 18210 1532 1 3 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.677 1.492 18210 1533 1 3 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.390 0.129 18210 1534 1 3 . 1 1 46 46 ASP H H 46 7.959 7.959 8.247 -0.288 18210 1535 1 3 . 1 1 47 47 LEU N N 47 123.735 123.735 121.586 2.149 18210 1536 1 3 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.485 0.491 18210 1537 1 3 . 1 1 47 47 LEU C C 47 175.735 175.735 176.858 -1.123 18210 1538 1 3 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.774 -0.083 18210 1539 1 3 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.883 0.684 18210 1540 1 3 . 1 1 47 47 LEU H H 47 8.156 8.156 8.535 -0.379 18210 1541 1 3 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.700 0.571 18210 1542 1 3 . 1 1 48 48 ILE C C 48 175.979 175.979 175.336 0.643 18210 1543 1 3 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.914 0.039 18210 1544 1 3 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.461 2.677 18210 1545 1 3 . 1 1 49 49 GLY N N 49 102.726 102.726 110.896 -8.170 18210 1546 1 3 . 1 1 49 49 GLY C C 49 169.506 169.506 171.838 -2.332 18210 1547 1 3 . 1 1 49 49 GLY CA C 49 48.190 48.190 46.042 2.148 18210 1548 1 3 . 1 1 49 49 GLY H H 49 7.900 7.900 8.570 -0.670 18210 1549 1 3 . 1 1 50 50 PHE N N 50 111.884 111.884 113.468 -1.584 18210 1550 1 3 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.596 0.317 18210 1551 1 3 . 1 1 50 50 PHE C C 50 171.823 171.823 171.869 -0.046 18210 1552 1 3 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.633 -0.906 18210 1553 1 3 . 1 1 50 50 PHE CB C 50 41.029 41.029 39.985 1.044 18210 1554 1 3 . 1 1 50 50 PHE H H 50 8.248 8.248 7.868 0.380 18210 1555 1 3 . 1 1 51 51 LYS N N 51 117.924 117.924 119.462 -1.538 18210 1556 1 3 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.299 0.085 18210 1557 1 3 . 1 1 51 51 LYS C C 51 176.140 176.140 174.603 1.537 18210 1558 1 3 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.930 -0.509 18210 1559 1 3 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.235 0.685 18210 1560 1 3 . 1 1 51 51 LYS H H 51 7.857 7.857 7.917 -0.060 18210 1561 1 3 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.075 -0.054 18210 1562 1 3 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.797 -4.606 18210 1563 1 3 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.172 11.015 18210 1564 1 3 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.420 -0.043 18210 1565 1 3 . 1 1 53 53 PRO C C 53 177.624 177.624 177.342 0.282 18210 1566 1 3 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.376 -0.806 18210 1567 1 3 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.302 -1.046 18210 1568 1 3 . 1 1 54 54 SER HA H 54 4.106 4.106 4.236 -0.130 18210 1569 1 3 . 1 1 54 54 SER C C 54 174.271 174.271 174.635 -0.364 18210 1570 1 3 . 1 1 54 54 SER CA C 54 61.221 61.221 60.682 0.539 18210 1571 1 3 . 1 1 54 54 SER CB C 54 63.243 63.243 63.002 0.241 18210 1572 1 3 . 1 1 55 55 ASN N N 55 115.116 115.116 116.371 -1.255 18210 1573 1 3 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.869 -0.196 18210 1574 1 3 . 1 1 55 55 ASN C C 55 174.556 174.556 174.530 0.026 18210 1575 1 3 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.508 0.355 18210 1576 1 3 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.875 -1.951 18210 1577 1 3 . 1 1 55 55 ASN H H 55 8.712 8.712 8.403 0.309 18210 1578 1 3 . 1 1 56 56 TYR N N 56 120.489 120.489 119.246 1.243 18210 1579 1 3 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.717 -0.025 18210 1580 1 3 . 1 1 56 56 TYR C C 56 176.019 176.019 174.924 1.095 18210 1581 1 3 . 1 1 56 56 TYR CA C 56 57.469 57.469 57.657 -0.188 18210 1582 1 3 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.209 -2.511 18210 1583 1 3 . 1 1 56 56 TYR H H 56 7.637 7.637 7.660 -0.023 18210 1584 1 3 . 1 1 57 57 SER N N 57 117.381 117.381 115.200 2.181 18210 1585 1 3 . 1 1 57 57 SER HA H 57 4.915 4.915 4.792 0.123 18210 1586 1 3 . 1 1 57 57 SER C C 57 173.649 173.649 173.704 -0.055 18210 1587 1 3 . 1 1 57 57 SER CA C 57 57.586 57.586 56.705 0.881 18210 1588 1 3 . 1 1 57 57 SER CB C 57 64.766 64.766 64.429 0.337 18210 1589 1 3 . 1 1 57 57 SER H H 57 9.323 9.323 8.269 1.054 18210 1590 1 3 . 1 1 58 58 VAL N N 58 125.696 125.696 124.147 1.549 18210 1591 1 3 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.518 0.294 18210 1592 1 3 . 1 1 58 58 VAL C C 58 174.911 174.911 175.472 -0.561 18210 1593 1 3 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.797 0.091 18210 1594 1 3 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.694 0.491 18210 1595 1 3 . 1 1 58 58 VAL H H 58 8.474 8.474 8.737 -0.263 18210 1596 1 3 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.908 -0.248 18210 1597 1 3 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.869 -0.270 18210 1598 1 3 . 1 1 59 59 GLU CB C 59 32.910 32.910 32.482 0.428 18210 1599 1 3 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.683 0.017 18210 1600 1 3 . 1 1 60 60 PRO C C 60 176.708 176.708 176.507 0.201 18210 1601 1 3 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.144 -0.413 18210 1602 1 3 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.424 1.582 18210 1603 1 3 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.630 -0.267 18210 1604 1 3 . 1 1 61 61 HIS C C 61 174.320 174.320 174.797 -0.477 18210 1605 1 3 . 1 1 61 61 HIS CA C 61 58.473 58.473 57.949 0.524 18210 1606 1 3 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.185 -2.670 18210 1607 1 3 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.750 0.293 18210 1608 1 3 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.129 -1.791 18210 1609 1 3 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.529 -1.019 18210 1610 1 3 . 1 1 63 63 CYS N N 63 120.346 120.346 117.995 2.351 18210 1611 1 3 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.652 -0.429 18210 1612 1 3 . 1 1 63 63 CYS C C 63 171.976 171.976 175.356 -3.380 18210 1613 1 3 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.114 -0.610 18210 1614 1 3 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.959 13.122 18210 1615 1 3 . 1 1 63 63 CYS H H 63 6.446 6.446 8.232 -1.786 18210 1616 1 3 . 1 1 64 64 PHE N N 64 116.155 116.155 117.162 -1.007 18210 1617 1 3 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.432 -0.212 18210 1618 1 3 . 1 1 64 64 PHE C C 64 177.110 177.110 176.996 0.114 18210 1619 1 3 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.191 0.400 18210 1620 1 3 . 1 1 64 64 PHE CB C 64 41.149 41.149 38.043 3.106 18210 1621 1 3 . 1 1 64 64 PHE H H 64 7.697 7.697 7.529 0.168 18210 1622 1 3 . 1 1 65 65 VAL N N 65 119.794 119.794 120.317 -0.523 18210 1623 1 3 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.691 0.274 18210 1624 1 3 . 1 1 65 65 VAL C C 65 176.948 176.948 175.832 1.116 18210 1625 1 3 . 1 1 65 65 VAL CA C 65 66.963 66.963 66.372 0.591 18210 1626 1 3 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.791 -0.707 18210 1627 1 3 . 1 1 65 65 VAL H H 65 8.449 8.449 7.203 1.246 18210 1628 1 3 . 1 1 66 66 SER N N 66 113.648 113.648 110.182 3.466 18210 1629 1 3 . 1 1 66 66 SER HA H 66 5.041 5.041 4.606 0.435 18210 1630 1 3 . 1 1 66 66 SER C C 66 173.905 173.905 172.504 1.401 18210 1631 1 3 . 1 1 66 66 SER CA C 66 56.701 56.701 57.256 -0.555 18210 1632 1 3 . 1 1 66 66 SER CB C 66 65.738 65.738 64.176 1.562 18210 1633 1 3 . 1 1 66 66 SER H H 66 7.706 7.706 7.620 0.086 18210 1634 1 3 . 1 1 67 67 ALA N N 67 115.370 115.370 126.991 -11.621 18210 1635 1 3 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.315 -0.271 18210 1636 1 3 . 1 1 67 67 ALA C C 67 175.316 175.316 174.539 0.777 18210 1637 1 3 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.676 0.446 18210 1638 1 3 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.620 3.207 18210 1639 1 3 . 1 1 67 67 ALA H H 67 9.280 9.280 7.599 1.681 18210 1640 1 3 . 1 1 68 68 PHE N N 68 116.820 116.820 117.584 -0.764 18210 1641 1 3 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.132 -0.133 18210 1642 1 3 . 1 1 68 68 PHE C C 68 176.533 176.533 176.503 0.030 18210 1643 1 3 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.948 0.590 18210 1644 1 3 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.337 -0.373 18210 1645 1 3 . 1 1 68 68 PHE H H 68 8.520 8.520 8.618 -0.098 18210 1646 1 3 . 1 1 69 69 ASN N N 69 118.203 118.203 121.210 -3.007 18210 1647 1 3 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.743 0.299 18210 1648 1 3 . 1 1 69 69 ASN C C 69 176.820 176.820 177.492 -0.672 18210 1649 1 3 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.652 -1.616 18210 1650 1 3 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.241 0.253 18210 1651 1 3 . 1 1 69 69 ASN H H 69 8.498 8.498 8.744 -0.246 18210 1652 1 3 . 1 1 70 70 LEU N N 70 118.189 118.189 119.792 -1.603 18210 1653 1 3 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.350 -0.071 18210 1654 1 3 . 1 1 70 70 LEU C C 70 178.484 178.484 177.826 0.658 18210 1655 1 3 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.850 -0.086 18210 1656 1 3 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.333 0.305 18210 1657 1 3 . 1 1 70 70 LEU H H 70 8.514 8.514 8.877 -0.363 18210 1658 1 3 . 1 1 71 71 SER N N 71 113.939 113.939 112.633 1.306 18210 1659 1 3 . 1 1 71 71 SER HA H 71 4.572 4.572 4.401 0.171 18210 1660 1 3 . 1 1 71 71 SER C C 71 174.682 174.682 175.861 -1.179 18210 1661 1 3 . 1 1 71 71 SER CA C 71 58.758 58.758 58.386 0.372 18210 1662 1 3 . 1 1 71 71 SER CB C 71 63.762 63.762 63.621 0.141 18210 1663 1 3 . 1 1 71 71 SER H H 71 8.049 8.049 7.946 0.103 18210 1664 1 3 . 1 1 72 72 GLY N N 72 109.936 109.936 110.752 -0.816 18210 1665 1 3 . 1 1 72 72 GLY C C 72 173.549 173.549 174.389 -0.840 18210 1666 1 3 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.540 0.098 18210 1667 1 3 . 1 1 72 72 GLY H H 72 8.641 8.641 8.249 0.392 18210 1668 1 3 . 1 1 73 73 LYS N N 73 119.884 119.884 120.744 -0.860 18210 1669 1 3 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.481 0.072 18210 1670 1 3 . 1 1 73 73 LYS C C 73 175.750 175.750 175.471 0.279 18210 1671 1 3 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.521 0.137 18210 1672 1 3 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.547 0.194 18210 1673 1 3 . 1 1 73 73 LYS H H 73 7.738 7.738 7.536 0.202 18210 1674 1 3 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.858 -0.338 18210 1675 1 3 . 1 1 74 74 ASN C C 74 174.680 174.680 174.919 -0.239 18210 1676 1 3 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.042 1.190 18210 1677 1 3 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.359 0.968 18210 1678 1 3 . 1 1 75 75 GLU N N 75 124.834 124.834 125.937 -1.103 18210 1679 1 3 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.438 0.160 18210 1680 1 3 . 1 1 75 75 GLU C C 75 174.547 174.547 175.732 -1.185 18210 1681 1 3 . 1 1 75 75 GLU CA C 75 54.887 54.887 54.662 0.225 18210 1682 1 3 . 1 1 75 75 GLU CB C 75 32.908 32.908 34.250 -1.342 18210 1683 1 3 . 1 1 75 75 GLU H H 75 8.835 8.835 8.316 0.519 18210 1684 1 3 . 1 1 76 76 ASN N N 76 121.549 121.549 120.183 1.366 18210 1685 1 3 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.884 -0.209 18210 1686 1 3 . 1 1 76 76 ASN C C 76 175.670 175.670 176.068 -0.398 18210 1687 1 3 . 1 1 76 76 ASN CA C 76 54.120 54.120 53.810 0.309 18210 1688 1 3 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.780 0.262 18210 1689 1 3 . 1 1 76 76 ASN H H 76 8.580 8.580 8.669 -0.089 18210 1690 1 3 . 1 1 77 77 LEU N N 77 125.808 125.808 122.858 2.950 18210 1691 1 3 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.586 -0.479 18210 1692 1 3 . 1 1 77 77 LEU C C 77 178.104 178.104 177.298 0.806 18210 1693 1 3 . 1 1 77 77 LEU CA C 77 55.991 55.991 53.743 2.248 18210 1694 1 3 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.436 -0.052 18210 1695 1 3 . 1 1 77 77 LEU H H 77 8.610 8.610 8.434 0.176 18210 1696 1 3 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.220 -0.204 18210 1697 1 3 . 1 1 78 78 GLU C C 78 176.833 176.833 177.036 -0.203 18210 1698 1 3 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.886 0.764 18210 1699 1 3 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.809 0.875 18210 1700 1 3 . 1 1 79 79 ASN N N 79 114.719 114.719 116.546 -1.827 18210 1701 1 3 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.431 0.133 18210 1702 1 3 . 1 1 79 79 ASN C C 79 175.510 175.510 176.327 -0.817 18210 1703 1 3 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.115 -0.724 18210 1704 1 3 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.486 1.232 18210 1705 1 3 . 1 1 79 79 ASN H H 79 8.257 8.257 8.612 -0.355 18210 1706 1 3 . 1 1 80 80 LYS N N 80 118.906 118.906 120.148 -1.242 18210 1707 1 3 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.241 0.052 18210 1708 1 3 . 1 1 80 80 LYS C C 80 175.748 175.748 176.508 -0.760 18210 1709 1 3 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.418 0.347 18210 1710 1 3 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.196 1.149 18210 1711 1 3 . 1 1 80 80 LYS H H 80 7.818 7.818 7.678 0.140 18210 1712 1 3 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.400 -0.250 18210 1713 1 3 . 1 1 81 81 LEU C C 81 174.688 174.688 174.966 -0.278 18210 1714 1 3 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.993 0.529 18210 1715 1 3 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.281 -1.218 18210 1716 1 3 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.269 -0.100 18210 1717 1 3 . 1 1 82 82 LYS C C 82 175.701 175.701 175.835 -0.134 18210 1718 1 3 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.900 0.268 18210 1719 1 3 . 1 1 82 82 LYS CB C 82 30.017 30.017 30.743 -0.726 18210 1720 1 3 . 1 1 83 83 LEU N N 83 120.762 120.762 123.980 -3.218 18210 1721 1 3 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.296 0.124 18210 1722 1 3 . 1 1 83 83 LEU C C 83 177.184 177.184 177.741 -0.557 18210 1723 1 3 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.878 0.341 18210 1724 1 3 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.708 -0.397 18210 1725 1 3 . 1 1 83 83 LEU H H 83 7.485 7.485 7.693 -0.208 18210 1726 1 3 . 1 1 84 84 THR N N 84 110.955 110.955 114.448 -3.493 18210 1727 1 3 . 1 1 84 84 THR HA H 84 4.712 4.712 4.517 0.195 18210 1728 1 3 . 1 1 84 84 THR C C 84 173.001 173.001 173.827 -0.826 18210 1729 1 3 . 1 1 84 84 THR CA C 84 59.883 59.883 60.688 -0.805 18210 1730 1 3 . 1 1 84 84 THR CB C 84 71.825 71.825 72.124 -0.299 18210 1731 1 3 . 1 1 84 84 THR H H 84 8.519 8.519 8.287 0.232 18210 1732 1 3 . 1 1 85 85 ASN N N 85 117.589 117.589 117.346 0.243 18210 1733 1 3 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.386 -0.240 18210 1734 1 3 . 1 1 85 85 ASN C C 85 173.572 173.572 174.432 -0.860 18210 1735 1 3 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.888 0.431 18210 1736 1 3 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.052 1.856 18210 1737 1 3 . 1 1 85 85 ASN H H 85 8.850 8.850 8.774 0.076 18210 1738 1 3 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.326 -0.034 18210 1739 1 3 . 1 1 86 86 ILE C C 86 177.346 177.346 176.107 1.239 18210 1740 1 3 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.601 1.206 18210 1741 1 3 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.767 -0.068 18210 1742 1 3 . 1 1 87 87 ILE N N 87 131.807 131.807 129.342 2.465 18210 1743 1 3 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.500 -0.245 18210 1744 1 3 . 1 1 87 87 ILE C C 87 174.493 174.493 174.346 0.147 18210 1745 1 3 . 1 1 87 87 ILE CA C 87 60.152 60.152 60.008 0.144 18210 1746 1 3 . 1 1 87 87 ILE CB C 87 41.110 41.110 38.569 2.541 18210 1747 1 3 . 1 1 87 87 ILE H H 87 9.166 9.166 8.517 0.649 18210 1748 1 3 . 1 1 88 88 MET HA H 88 4.017 4.017 4.536 -0.519 18210 1749 1 3 . 1 1 88 88 MET C C 88 173.613 173.613 174.512 -0.899 18210 1750 1 3 . 1 1 88 88 MET CA C 88 53.287 53.287 54.778 -1.491 18210 1751 1 3 . 1 1 88 88 MET CB C 88 33.478 33.478 34.753 -1.275 18210 1752 1 3 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.900 -0.203 18210 1753 1 3 . 1 1 89 89 ASP C C 89 176.750 176.750 175.971 0.779 18210 1754 1 3 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.840 -0.739 18210 1755 1 3 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.401 -1.210 18210 1756 1 3 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.312 0.129 18210 1757 1 3 . 1 1 90 90 HIS C C 90 175.625 175.625 175.915 -0.290 18210 1758 1 3 . 1 1 90 90 HIS CA C 90 58.254 58.254 59.015 -0.761 18210 1759 1 3 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.377 -1.798 18210 1760 1 3 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.220 0.220 18210 1761 1 3 . 1 1 91 91 TYR C C 91 177.915 177.915 176.155 1.760 18210 1762 1 3 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.302 -0.542 18210 1763 1 3 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.681 -0.614 18210 1764 1 3 . 1 1 92 92 ASN N N 92 113.661 113.661 112.871 0.790 18210 1765 1 3 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.428 0.345 18210 1766 1 3 . 1 1 92 92 ASN C C 92 174.762 174.762 174.725 0.037 18210 1767 1 3 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.822 -0.207 18210 1768 1 3 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.224 1.058 18210 1769 1 3 . 1 1 92 92 ASN H H 92 7.713 7.713 8.468 -0.755 18210 1770 1 3 . 1 1 93 93 ASN N N 93 125.176 125.176 114.386 10.790 18210 1771 1 3 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.304 0.405 18210 1772 1 3 . 1 1 93 93 ASN C C 93 172.729 172.729 173.100 -0.371 18210 1773 1 3 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.456 -1.721 18210 1774 1 3 . 1 1 93 93 ASN CB C 93 37.961 37.961 37.124 0.837 18210 1775 1 3 . 1 1 93 93 ASN H H 93 7.804 7.804 7.887 -0.083 18210 1776 1 3 . 1 1 94 94 THR N N 94 109.900 109.900 112.350 -2.450 18210 1777 1 3 . 1 1 94 94 THR HA H 94 4.852 4.852 4.987 -0.135 18210 1778 1 3 . 1 1 94 94 THR C C 94 170.824 170.824 171.829 -1.005 18210 1779 1 3 . 1 1 94 94 THR CA C 94 61.817 61.817 60.358 1.459 18210 1780 1 3 . 1 1 94 94 THR CB C 94 71.074 71.074 71.212 -0.138 18210 1781 1 3 . 1 1 94 94 THR H H 94 7.654 7.654 7.295 0.359 18210 1782 1 3 . 1 1 95 95 PHE N N 95 126.721 126.721 125.279 1.442 18210 1783 1 3 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.305 -0.197 18210 1784 1 3 . 1 1 95 95 PHE C C 95 174.143 174.143 174.166 -0.023 18210 1785 1 3 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.515 0.054 18210 1786 1 3 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.608 0.185 18210 1787 1 3 . 1 1 95 95 PHE H H 95 8.166 8.166 7.854 0.312 18210 1788 1 3 . 1 1 96 96 TYR N N 96 115.709 115.709 120.139 -4.430 18210 1789 1 3 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.447 0.620 18210 1790 1 3 . 1 1 96 96 TYR C C 96 175.734 175.734 174.833 0.901 18210 1791 1 3 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.742 -0.310 18210 1792 1 3 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.626 1.541 18210 1793 1 3 . 1 1 96 96 TYR H H 96 9.149 9.149 8.647 0.502 18210 1794 1 3 . 1 1 97 97 SER N N 97 109.503 109.503 114.840 -5.337 18210 1795 1 3 . 1 1 97 97 SER HA H 97 4.430 4.430 4.927 -0.497 18210 1796 1 3 . 1 1 97 97 SER C C 97 170.684 170.684 173.156 -2.472 18210 1797 1 3 . 1 1 97 97 SER CA C 97 59.324 59.324 56.632 2.692 18210 1798 1 3 . 1 1 97 97 SER CB C 97 66.341 66.341 65.356 0.985 18210 1799 1 3 . 1 1 97 97 SER H H 97 8.921 8.921 9.071 -0.150 18210 1800 1 3 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.721 0.673 18210 1801 1 3 . 1 1 98 98 ARG C C 98 175.850 175.850 175.176 0.674 18210 1802 1 3 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.795 -0.619 18210 1803 1 3 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.085 1.042 18210 1804 1 3 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.665 -0.335 18210 1805 1 3 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.720 1.086 18210 1806 1 3 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.349 -1.446 18210 1807 1 3 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.381 0.295 18210 1808 1 3 . 1 1 100 100 PRO C C 100 175.744 175.744 176.432 -0.688 18210 1809 1 3 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.079 -0.790 18210 1810 1 3 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.641 0.145 18210 1811 1 3 . 1 1 101 101 SER HA H 101 4.126 4.126 4.352 -0.226 18210 1812 1 3 . 1 1 101 101 SER C C 101 173.214 173.214 174.196 -0.982 18210 1813 1 3 . 1 1 101 101 SER CA C 101 60.265 60.265 59.415 0.850 18210 1814 1 3 . 1 1 101 101 SER CB C 101 63.660 63.660 63.892 -0.232 18210 1815 1 3 . 1 1 102 102 LEU N N 102 121.389 121.389 122.078 -0.689 18210 1816 1 3 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.571 -0.039 18210 1817 1 3 . 1 1 102 102 LEU C C 102 175.187 175.187 175.206 -0.019 18210 1818 1 3 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.837 -0.151 18210 1819 1 3 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.374 0.006 18210 1820 1 3 . 1 1 102 102 LEU H H 102 7.179 7.179 7.415 -0.236 18210 1821 1 3 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.476 -0.033 18210 1822 1 3 . 1 1 103 103 ILE C C 103 175.490 175.490 175.814 -0.324 18210 1823 1 3 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.483 -1.574 18210 1824 1 3 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.485 0.193 18210 1825 1 3 . 1 1 104 104 SER N N 104 120.807 120.807 120.819 -0.012 18210 1826 1 3 . 1 1 104 104 SER HA H 104 4.581 4.581 4.580 0.001 18210 1827 1 3 . 1 1 104 104 SER C C 104 173.234 173.234 174.329 -1.095 18210 1828 1 3 . 1 1 104 104 SER CA C 104 58.166 58.166 57.991 0.175 18210 1829 1 3 . 1 1 104 104 SER CB C 104 64.341 64.341 63.831 0.510 18210 1830 1 3 . 1 1 104 104 SER H H 104 8.471 8.471 8.378 0.093 18210 1831 1 3 . 1 1 105 105 ASP N N 105 119.103 119.103 122.799 -3.696 18210 1832 1 3 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.805 -0.156 18210 1833 1 3 . 1 1 105 105 ASP C C 105 174.991 174.991 175.904 -0.913 18210 1834 1 3 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.256 -0.522 18210 1835 1 3 . 1 1 105 105 ASP CB C 105 42.477 42.477 41.990 0.487 18210 1836 1 3 . 1 1 105 105 ASP H H 105 8.060 8.060 8.048 0.012 18210 1837 1 3 . 1 1 106 106 ASN N N 106 116.036 116.036 118.639 -2.603 18210 1838 1 3 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.910 -0.175 18210 1839 1 3 . 1 1 106 106 ASN C C 106 174.308 174.308 175.129 -0.821 18210 1840 1 3 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.267 1.513 18210 1841 1 3 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.603 0.419 18210 1842 1 3 . 1 1 106 106 ASN H H 106 8.389 8.389 8.543 -0.154 18210 1843 1 3 . 1 1 107 107 TRP N N 107 119.645 119.645 119.446 0.199 18210 1844 1 3 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.686 0.143 18210 1845 1 3 . 1 1 107 107 TRP C C 107 174.949 174.949 174.968 -0.019 18210 1846 1 3 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.338 -0.146 18210 1847 1 3 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.596 2.616 18210 1848 1 3 . 1 1 107 107 TRP H H 107 7.846 7.846 8.036 -0.190 18210 1849 1 3 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.735 0.727 18210 1850 1 3 . 1 1 108 108 LYS C C 108 174.986 174.986 174.750 0.236 18210 1851 1 3 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.022 1.174 18210 1852 1 3 . 1 1 108 108 LYS CB C 108 36.215 36.215 36.501 -0.286 18210 1853 1 3 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.260 0.285 18210 1854 1 3 . 1 1 109 109 PHE C C 109 172.950 172.950 172.534 0.416 18210 1855 1 3 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.604 -0.184 18210 1856 1 3 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.267 -0.376 18210 1857 1 3 . 1 1 110 110 PHE N N 110 115.390 115.390 114.509 0.881 18210 1858 1 3 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.171 0.861 18210 1859 1 3 . 1 1 110 110 PHE C C 110 173.892 173.892 173.677 0.215 18210 1860 1 3 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.602 0.630 18210 1861 1 3 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.952 2.414 18210 1862 1 3 . 1 1 110 110 PHE H H 110 9.267 9.267 7.611 1.656 18210 1863 1 3 . 1 1 111 111 CYS N N 111 116.463 116.463 117.703 -1.240 18210 1864 1 3 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.961 0.100 18210 1865 1 3 . 1 1 111 111 CYS C C 111 171.900 171.900 173.069 -1.169 18210 1866 1 3 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.807 -3.955 18210 1867 1 3 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.128 16.703 18210 1868 1 3 . 1 1 111 111 CYS H H 111 9.274 9.274 8.723 0.551 18210 1869 1 3 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.103 0.099 18210 1870 1 3 . 1 1 112 112 VAL C C 112 175.041 175.041 174.435 0.606 18210 1871 1 3 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.536 -0.093 18210 1872 1 3 . 1 1 112 112 VAL CB C 112 36.577 36.577 35.947 0.630 18210 1873 1 3 . 1 1 112 112 VAL H H 112 9.605 9.605 8.532 1.073 18210 1874 1 3 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.690 0.070 18210 1875 1 3 . 1 1 113 113 CYS C C 113 173.601 173.601 173.809 -0.208 18210 1876 1 3 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.199 -4.378 18210 1877 1 3 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.499 14.447 18210 1878 1 3 . 1 1 114 114 SER N N 114 117.968 117.968 118.251 -0.283 18210 1879 1 3 . 1 1 114 114 SER HA H 114 5.093 5.093 5.025 0.068 18210 1880 1 3 . 1 1 114 114 SER C C 114 172.267 172.267 172.646 -0.379 18210 1881 1 3 . 1 1 114 114 SER CA C 114 56.677 56.677 58.075 -1.398 18210 1882 1 3 . 1 1 114 114 SER CB C 114 66.795 66.795 65.584 1.211 18210 1883 1 3 . 1 1 114 114 SER H H 114 9.250 9.250 9.276 -0.026 18210 1884 1 3 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.411 -0.305 18210 1885 1 3 . 1 1 115 115 LYS C C 115 174.527 174.527 174.342 0.185 18210 1886 1 3 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.425 0.497 18210 1887 1 3 . 1 1 115 115 LYS CB C 115 34.009 34.009 35.947 -1.938 18210 1888 1 3 . 1 1 115 115 LYS H H 115 8.705 8.705 8.455 0.250 18210 1889 1 3 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.526 -0.335 18210 1890 1 3 . 1 1 116 116 ASP C C 116 176.002 176.002 176.663 -0.661 18210 1891 1 3 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.355 0.959 18210 1892 1 3 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.951 -0.504 18210 1893 1 3 . 1 1 117 117 ASN N N 117 116.913 116.913 119.889 -2.976 18210 1894 1 3 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.220 0.219 18210 1895 1 3 . 1 1 117 117 ASN C C 117 174.246 174.246 173.734 0.512 18210 1896 1 3 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.556 -0.123 18210 1897 1 3 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.200 -0.018 18210 1898 1 3 . 1 1 117 117 ASN H H 117 8.752 8.752 8.566 0.186 18210 1899 1 3 . 1 1 118 118 GLU N N 118 116.615 116.615 118.385 -1.770 18210 1900 1 3 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.462 0.298 18210 1901 1 3 . 1 1 118 118 GLU C C 118 177.397 177.397 175.665 1.732 18210 1902 1 3 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.312 -1.003 18210 1903 1 3 . 1 1 118 118 GLU CB C 118 31.091 31.091 32.805 -1.714 18210 1904 1 3 . 1 1 118 118 GLU H H 118 7.819 7.819 8.237 -0.418 18210 1905 1 3 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.222 -0.057 18210 1906 1 3 . 1 1 119 119 LYS C C 119 177.626 177.626 176.441 1.185 18210 1907 1 3 . 1 1 119 119 LYS CA C 119 57.540 57.540 56.562 0.979 18210 1908 1 3 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.627 0.218 18210 1909 1 3 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.285 0.020 18210 1910 1 3 . 1 1 120 120 LYS C C 120 174.312 174.312 175.593 -1.281 18210 1911 1 3 . 1 1 120 120 LYS CA C 120 57.106 57.106 56.008 1.098 18210 1912 1 3 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.459 -0.271 18210 1913 1 3 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.326 0.233 18210 1914 1 3 . 1 1 121 121 LEU C C 121 174.893 174.893 175.006 -0.113 18210 1915 1 3 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.602 -0.998 18210 1916 1 3 . 1 1 121 121 LEU CB C 121 39.606 39.606 43.258 -3.652 18210 1917 1 3 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.620 -0.259 18210 1918 1 3 . 1 1 122 122 VAL C C 122 173.909 173.909 174.393 -0.484 18210 1919 1 3 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.104 0.924 18210 1920 1 3 . 1 1 122 122 VAL CB C 122 33.594 33.594 34.123 -0.529 18210 1921 1 3 . 1 1 123 123 PHE HA H 123 5.175 5.175 5.103 0.072 18210 1922 1 3 . 1 1 123 123 PHE C C 123 173.230 173.230 173.275 -0.045 18210 1923 1 3 . 1 1 123 123 PHE CA C 123 56.314 56.314 55.610 0.704 18210 1924 1 3 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.209 -0.377 18210 1925 1 3 . 1 1 124 124 THR N N 124 121.688 121.688 123.546 -1.858 18210 1926 1 3 . 1 1 124 124 THR HA H 124 4.885 4.885 4.725 0.160 18210 1927 1 3 . 1 1 124 124 THR C C 124 170.874 170.874 172.099 -1.225 18210 1928 1 3 . 1 1 124 124 THR CA C 124 60.087 60.087 59.473 0.614 18210 1929 1 3 . 1 1 124 124 THR CB C 124 70.942 70.942 70.921 0.021 18210 1930 1 3 . 1 1 124 124 THR H H 124 8.493 8.493 7.901 0.592 18210 1931 1 3 . 1 1 125 125 VAL N N 125 125.781 125.781 119.471 6.310 18210 1932 1 3 . 1 1 125 125 VAL HA H 125 4.516 4.516 4.912 -0.396 18210 1933 1 3 . 1 1 125 125 VAL C C 125 173.796 173.796 172.681 1.115 18210 1934 1 3 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.386 1.407 18210 1935 1 3 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.441 -2.207 18210 1936 1 3 . 1 1 125 125 VAL H H 125 8.275 8.275 7.893 0.382 18210 1937 1 3 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.850 0.039 18210 1938 1 3 . 1 1 126 126 GLU C C 126 173.519 173.519 174.155 -0.636 18210 1939 1 3 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.196 -0.230 18210 1940 1 3 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.985 -1.023 18210 1941 1 3 . 1 1 126 126 GLU H H 126 8.262 8.262 7.912 0.350 18210 1942 1 18 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.368 -0.199 18210 1943 1 18 . 1 1 2 2 LYS C C 2 176.160 176.160 175.811 0.349 18210 1944 1 18 . 1 1 2 2 LYS CA C 2 55.965 55.965 56.205 -0.240 18210 1945 1 18 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.602 -0.337 18210 1946 1 18 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.173 -0.260 18210 1947 1 18 . 1 1 3 3 VAL C C 3 175.820 175.820 175.401 0.419 18210 1948 1 18 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.720 0.768 18210 1949 1 18 . 1 1 3 3 VAL CB C 3 32.780 32.780 33.428 -0.648 18210 1950 1 18 . 1 1 4 4 LYS N N 4 129.029 129.029 127.316 1.713 18210 1951 1 18 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.512 -0.005 18210 1952 1 18 . 1 1 4 4 LYS C C 4 174.923 174.923 175.941 -1.018 18210 1953 1 18 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.482 0.821 18210 1954 1 18 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.205 0.047 18210 1955 1 18 . 1 1 4 4 LYS H H 4 8.507 8.507 8.361 0.146 18210 1956 1 18 . 1 1 5 5 GLY N N 5 110.242 110.242 109.863 0.379 18210 1957 1 18 . 1 1 5 5 GLY C C 5 173.333 173.333 171.785 1.548 18210 1958 1 18 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.437 0.827 18210 1959 1 18 . 1 1 5 5 GLY H H 5 8.138 8.138 8.213 -0.075 18210 1960 1 18 . 1 1 6 6 CYS N N 6 114.306 114.306 119.931 -5.625 18210 1961 1 18 . 1 1 6 6 CYS HA H 6 5.251 5.251 4.971 0.280 18210 1962 1 18 . 1 1 6 6 CYS C C 6 170.891 170.891 172.951 -2.060 18210 1963 1 18 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.438 -2.588 18210 1964 1 18 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.407 21.743 18210 1965 1 18 . 1 1 6 6 CYS H H 6 6.750 6.750 8.137 -1.387 18210 1966 1 18 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.059 -0.311 18210 1967 1 18 . 1 1 7 7 ASP C C 7 175.607 175.607 175.562 0.045 18210 1968 1 18 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.438 -0.200 18210 1969 1 18 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.076 -0.459 18210 1970 1 18 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.527 0.350 18210 1971 1 18 . 1 1 8 8 PHE C C 8 173.972 173.972 175.750 -1.778 18210 1972 1 18 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.864 0.591 18210 1973 1 18 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.910 0.309 18210 1974 1 18 . 1 1 9 9 THR N N 9 105.421 105.421 111.922 -6.501 18210 1975 1 18 . 1 1 9 9 THR HA H 9 4.611 4.611 4.475 0.136 18210 1976 1 18 . 1 1 9 9 THR C C 9 174.505 174.505 174.479 0.026 18210 1977 1 18 . 1 1 9 9 THR CA C 9 61.988 61.988 63.046 -1.058 18210 1978 1 18 . 1 1 9 9 THR CB C 9 70.385 70.385 70.183 0.202 18210 1979 1 18 . 1 1 9 9 THR H H 9 8.996 8.996 8.406 0.590 18210 1980 1 18 . 1 1 10 10 THR N N 10 118.757 118.757 115.955 2.802 18210 1981 1 18 . 1 1 10 10 THR HA H 10 4.526 4.526 4.586 -0.060 18210 1982 1 18 . 1 1 10 10 THR C C 10 171.202 171.202 173.648 -2.446 18210 1983 1 18 . 1 1 10 10 THR CA C 10 60.774 60.774 61.422 -0.648 18210 1984 1 18 . 1 1 10 10 THR CB C 10 68.040 68.040 71.676 -3.636 18210 1985 1 18 . 1 1 10 10 THR H H 10 7.199 7.199 7.521 -0.322 18210 1986 1 18 . 1 1 11 11 SER N N 11 117.117 117.117 118.692 -1.575 18210 1987 1 18 . 1 1 11 11 SER HA H 11 3.907 3.907 4.278 -0.371 18210 1988 1 18 . 1 1 11 11 SER C C 11 174.988 174.988 174.845 0.143 18210 1989 1 18 . 1 1 11 11 SER CA C 11 59.563 59.563 60.892 -1.329 18210 1990 1 18 . 1 1 11 11 SER CB C 11 63.599 63.599 63.537 0.062 18210 1991 1 18 . 1 1 11 11 SER H H 11 7.997 7.997 8.792 -0.795 18210 1992 1 18 . 1 1 12 12 GLU N N 12 125.013 125.013 120.424 4.589 18210 1993 1 18 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.472 0.093 18210 1994 1 18 . 1 1 12 12 GLU C C 12 175.108 175.108 175.286 -0.178 18210 1995 1 18 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.380 -1.121 18210 1996 1 18 . 1 1 12 12 GLU CB C 12 28.928 28.928 29.098 -0.170 18210 1997 1 18 . 1 1 12 12 GLU H H 12 8.375 8.375 8.313 0.062 18210 1998 1 18 . 1 1 13 13 SER N N 13 114.959 114.959 117.022 -2.063 18210 1999 1 18 . 1 1 13 13 SER HA H 13 4.130 4.130 4.502 -0.372 18210 2000 1 18 . 1 1 13 13 SER C C 13 176.833 176.833 174.741 2.092 18210 2001 1 18 . 1 1 13 13 SER CA C 13 58.707 58.707 58.995 -0.287 18210 2002 1 18 . 1 1 13 13 SER CB C 13 63.598 63.598 64.354 -0.756 18210 2003 1 18 . 1 1 13 13 SER H H 13 7.879 7.879 8.175 -0.296 18210 2004 1 18 . 1 1 14 14 THR N N 14 117.688 117.688 114.790 2.898 18210 2005 1 18 . 1 1 14 14 THR HA H 14 4.348 4.348 4.461 -0.113 18210 2006 1 18 . 1 1 14 14 THR C C 14 174.550 174.550 175.049 -0.499 18210 2007 1 18 . 1 1 14 14 THR CA C 14 62.435 62.435 62.476 -0.041 18210 2008 1 18 . 1 1 14 14 THR CB C 14 69.114 69.114 68.836 0.278 18210 2009 1 18 . 1 1 14 14 THR H H 14 8.978 8.978 8.789 0.189 18210 2010 1 18 . 1 1 15 15 ILE N N 15 118.851 118.851 113.299 5.552 18210 2011 1 18 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.339 -0.301 18210 2012 1 18 . 1 1 15 15 ILE C C 15 175.389 175.389 173.619 1.770 18210 2013 1 18 . 1 1 15 15 ILE CA C 15 62.700 62.700 61.010 1.690 18210 2014 1 18 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.121 2.326 18210 2015 1 18 . 1 1 15 15 ILE H H 15 7.947 7.947 7.828 0.119 18210 2016 1 18 . 1 1 16 16 PHE N N 16 116.409 116.409 119.009 -2.600 18210 2017 1 18 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.557 -0.039 18210 2018 1 18 . 1 1 16 16 PHE C C 16 176.700 176.700 175.771 0.929 18210 2019 1 18 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.665 0.797 18210 2020 1 18 . 1 1 16 16 PHE CB C 16 42.712 42.712 41.976 0.736 18210 2021 1 18 . 1 1 16 16 PHE H H 16 7.792 7.792 7.604 0.188 18210 2022 1 18 . 1 1 17 17 SER N N 17 114.126 114.126 116.591 -2.465 18210 2023 1 18 . 1 1 17 17 SER HA H 17 3.984 3.984 4.401 -0.417 18210 2024 1 18 . 1 1 17 17 SER C C 17 174.203 174.203 174.497 -0.294 18210 2025 1 18 . 1 1 17 17 SER CA C 17 61.176 61.176 60.871 0.305 18210 2026 1 18 . 1 1 17 17 SER CB C 17 63.438 63.438 63.949 -0.511 18210 2027 1 18 . 1 1 17 17 SER H H 17 8.666 8.666 8.614 0.052 18210 2028 1 18 . 1 1 18 18 LYS N N 18 122.828 122.828 119.542 3.286 18210 2029 1 18 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.582 0.176 18210 2030 1 18 . 1 1 18 18 LYS C C 18 174.029 174.029 174.992 -0.963 18210 2031 1 18 . 1 1 18 18 LYS CA C 18 55.661 55.661 54.682 0.979 18210 2032 1 18 . 1 1 18 18 LYS CB C 18 35.049 35.049 35.545 -0.497 18210 2033 1 18 . 1 1 18 18 LYS H H 18 8.031 8.031 7.340 0.691 18210 2034 1 18 . 1 1 19 19 GLY N N 19 112.051 112.051 107.941 4.110 18210 2035 1 18 . 1 1 19 19 GLY C C 19 172.307 172.307 172.319 -0.012 18210 2036 1 18 . 1 1 19 19 GLY CA C 19 44.946 44.946 45.368 -0.422 18210 2037 1 18 . 1 1 19 19 GLY H H 19 8.092 8.092 7.942 0.150 18210 2038 1 18 . 1 1 20 20 TYR N N 20 120.060 120.060 117.725 2.335 18210 2039 1 18 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.797 -0.227 18210 2040 1 18 . 1 1 20 20 TYR C C 20 173.557 173.557 174.854 -1.297 18210 2041 1 18 . 1 1 20 20 TYR CA C 20 57.512 57.512 56.947 0.565 18210 2042 1 18 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.858 0.233 18210 2043 1 18 . 1 1 20 20 TYR H H 20 7.968 7.968 8.732 -0.764 18210 2044 1 18 . 1 1 21 21 SER N N 21 115.201 115.201 114.534 0.667 18210 2045 1 18 . 1 1 21 21 SER HA H 21 4.562 4.562 4.769 -0.207 18210 2046 1 18 . 1 1 21 21 SER C C 21 176.172 176.172 176.437 -0.265 18210 2047 1 18 . 1 1 21 21 SER CA C 21 56.537 56.537 55.724 0.813 18210 2048 1 18 . 1 1 21 21 SER CB C 21 65.257 65.257 65.047 0.210 18210 2049 1 18 . 1 1 21 21 SER H H 21 8.761 8.761 8.405 0.356 18210 2050 1 18 . 1 1 22 22 ILE N N 22 122.867 122.867 122.310 0.557 18210 2051 1 18 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.829 0.330 18210 2052 1 18 . 1 1 22 22 ILE C C 22 177.561 177.561 176.810 0.751 18210 2053 1 18 . 1 1 22 22 ILE CA C 22 62.713 62.713 64.087 -1.374 18210 2054 1 18 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.786 0.069 18210 2055 1 18 . 1 1 22 22 ILE H H 22 8.646 8.646 8.726 -0.080 18210 2056 1 18 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.474 0.071 18210 2057 1 18 . 1 1 23 23 ASN C C 23 176.647 176.647 177.632 -0.985 18210 2058 1 18 . 1 1 23 23 ASN CA C 23 55.506 55.506 56.024 -0.518 18210 2059 1 18 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.043 0.410 18210 2060 1 18 . 1 1 24 24 GLU N N 24 118.601 118.601 119.196 -0.595 18210 2061 1 18 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.136 0.150 18210 2062 1 18 . 1 1 24 24 GLU C C 24 177.998 177.998 178.687 -0.689 18210 2063 1 18 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.107 -0.801 18210 2064 1 18 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.934 0.724 18210 2065 1 18 . 1 1 24 24 GLU H H 24 7.837 7.837 7.807 0.030 18210 2066 1 18 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.123 0.050 18210 2067 1 18 . 1 1 25 25 ILE C C 25 176.641 176.641 177.049 -0.408 18210 2068 1 18 . 1 1 25 25 ILE CA C 25 62.612 62.612 63.049 -0.437 18210 2069 1 18 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.279 0.081 18210 2070 1 18 . 1 1 26 26 SER N N 26 116.293 116.293 118.050 -1.757 18210 2071 1 18 . 1 1 26 26 SER HA H 26 4.663 4.663 4.386 0.277 18210 2072 1 18 . 1 1 26 26 SER C C 26 174.462 174.462 174.789 -0.327 18210 2073 1 18 . 1 1 26 26 SER CA C 26 58.392 58.392 60.163 -1.771 18210 2074 1 18 . 1 1 26 26 SER CB C 26 64.380 64.380 63.985 0.395 18210 2075 1 18 . 1 1 26 26 SER H H 26 7.813 7.813 8.277 -0.464 18210 2076 1 18 . 1 1 27 27 ASN N N 27 121.919 121.919 121.845 0.074 18210 2077 1 18 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.419 0.302 18210 2078 1 18 . 1 1 27 27 ASN C C 27 175.869 175.869 174.829 1.040 18210 2079 1 18 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.542 0.468 18210 2080 1 18 . 1 1 27 27 ASN CB C 27 38.640 38.640 36.717 1.923 18210 2081 1 18 . 1 1 27 27 ASN H H 27 8.521 8.521 8.138 0.383 18210 2082 1 18 . 1 1 28 28 LYS N N 28 121.697 121.697 120.730 0.967 18210 2083 1 18 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.475 -0.115 18210 2084 1 18 . 1 1 28 28 LYS C C 28 176.952 176.952 176.477 0.475 18210 2085 1 18 . 1 1 28 28 LYS CA C 28 56.967 56.967 57.382 -0.415 18210 2086 1 18 . 1 1 28 28 LYS CB C 28 32.730 32.730 31.672 1.058 18210 2087 1 18 . 1 1 28 28 LYS H H 28 8.367 8.367 8.500 -0.133 18210 2088 1 18 . 1 1 29 29 SER HA H 29 4.498 4.498 4.314 0.184 18210 2089 1 18 . 1 1 29 29 SER C C 29 174.741 174.741 174.559 0.182 18210 2090 1 18 . 1 1 29 29 SER CA C 29 58.557 58.557 58.661 -0.104 18210 2091 1 18 . 1 1 29 29 SER CB C 29 63.945 63.945 63.598 0.347 18210 2092 1 18 . 1 1 30 30 SER N N 30 116.470 116.470 118.875 -2.405 18210 2093 1 18 . 1 1 30 30 SER HA H 30 4.429 4.429 4.374 0.055 18210 2094 1 18 . 1 1 30 30 SER C C 30 174.467 174.467 173.884 0.583 18210 2095 1 18 . 1 1 30 30 SER CA C 30 58.616 58.616 59.874 -1.258 18210 2096 1 18 . 1 1 30 30 SER CB C 30 63.834 63.834 63.844 -0.010 18210 2097 1 18 . 1 1 30 30 SER H H 30 8.140 8.140 8.368 -0.228 18210 2098 1 18 . 1 1 31 31 ASN N N 31 119.457 119.457 121.067 -1.610 18210 2099 1 18 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.891 -0.194 18210 2100 1 18 . 1 1 31 31 ASN C C 31 174.930 174.930 174.549 0.381 18210 2101 1 18 . 1 1 31 31 ASN CA C 31 53.583 53.583 53.486 0.097 18210 2102 1 18 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.225 0.508 18210 2103 1 18 . 1 1 31 31 ASN H H 31 8.354 8.354 8.572 -0.218 18210 2104 1 18 . 1 1 32 32 ASN N N 32 118.038 118.038 117.667 0.371 18210 2105 1 18 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.811 -0.113 18210 2106 1 18 . 1 1 32 32 ASN C C 32 174.979 174.979 176.356 -1.377 18210 2107 1 18 . 1 1 32 32 ASN CA C 32 53.580 53.580 54.149 -0.569 18210 2108 1 18 . 1 1 32 32 ASN CB C 32 38.810 38.810 38.943 -0.133 18210 2109 1 18 . 1 1 32 32 ASN H H 32 8.218 8.218 8.037 0.181 18210 2110 1 18 . 1 1 33 33 GLN N N 33 119.603 119.603 119.031 0.572 18210 2111 1 18 . 1 1 33 33 GLN HA H 33 4.353 4.353 3.965 0.388 18210 2112 1 18 . 1 1 33 33 GLN C C 33 175.735 175.735 176.667 -0.932 18210 2113 1 18 . 1 1 33 33 GLN CA C 33 55.883 55.883 58.280 -2.397 18210 2114 1 18 . 1 1 33 33 GLN CB C 33 29.131 29.131 28.026 1.105 18210 2115 1 18 . 1 1 33 33 GLN H H 33 8.337 8.337 8.485 -0.148 18210 2116 1 18 . 1 1 34 34 GLN HA H 34 4.278 4.278 3.957 0.321 18210 2117 1 18 . 1 1 34 34 GLN C C 34 175.170 175.170 175.090 0.080 18210 2118 1 18 . 1 1 34 34 GLN CA C 34 56.102 56.102 57.710 -1.608 18210 2119 1 18 . 1 1 34 34 GLN CB C 34 29.870 29.870 28.580 1.290 18210 2120 1 18 . 1 1 34 34 GLN H H 34 8.087 8.087 8.445 -0.358 18210 2121 1 18 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.184 -0.464 18210 2122 1 18 . 1 1 35 35 ASP C C 35 175.810 175.810 175.026 0.784 18210 2123 1 18 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.013 1.279 18210 2124 1 18 . 1 1 35 35 ASP CB C 35 41.462 41.462 42.355 -0.893 18210 2125 1 18 . 1 1 35 35 ASP H H 35 8.033 8.033 7.546 0.487 18210 2126 1 18 . 1 1 36 36 ILE N N 36 122.378 122.378 125.265 -2.887 18210 2127 1 18 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.312 -0.248 18210 2128 1 18 . 1 1 36 36 ILE C C 36 173.823 173.823 174.320 -0.497 18210 2129 1 18 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.103 1.403 18210 2130 1 18 . 1 1 36 36 ILE CB C 36 37.712 37.712 38.527 -0.815 18210 2131 1 18 . 1 1 36 36 ILE H H 36 8.421 8.421 8.064 0.357 18210 2132 1 18 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.892 -0.385 18210 2133 1 18 . 1 1 37 37 VAL C C 37 174.956 174.956 175.706 -0.750 18210 2134 1 18 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.813 0.722 18210 2135 1 18 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.190 -1.258 18210 2136 1 18 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.770 0.011 18210 2137 1 18 . 1 1 38 38 CYS C C 38 172.106 172.106 174.577 -2.471 18210 2138 1 18 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.293 -3.075 18210 2139 1 18 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.639 23.318 18210 2140 1 18 . 1 1 39 39 THR N N 39 123.385 123.385 122.643 0.742 18210 2141 1 18 . 1 1 39 39 THR HA H 39 4.998 4.998 5.137 -0.139 18210 2142 1 18 . 1 1 39 39 THR C C 39 174.687 174.687 174.000 0.687 18210 2143 1 18 . 1 1 39 39 THR CA C 39 61.514 61.514 62.445 -0.931 18210 2144 1 18 . 1 1 39 39 THR CB C 39 69.880 69.880 69.639 0.241 18210 2145 1 18 . 1 1 39 39 THR H H 39 8.229 8.229 8.610 -0.381 18210 2146 1 18 . 1 1 40 40 VAL N N 40 125.782 125.782 122.866 2.916 18210 2147 1 18 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.621 -0.341 18210 2148 1 18 . 1 1 40 40 VAL C C 40 173.622 173.622 174.022 -0.400 18210 2149 1 18 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.573 0.834 18210 2150 1 18 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.658 -0.858 18210 2151 1 18 . 1 1 40 40 VAL H H 40 8.892 8.892 8.233 0.659 18210 2152 1 18 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.758 0.147 18210 2153 1 18 . 1 1 41 41 LYS C C 41 175.624 175.624 176.032 -0.408 18210 2154 1 18 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.232 -0.985 18210 2155 1 18 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.455 -1.553 18210 2156 1 18 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.611 -0.304 18210 2157 1 18 . 1 1 42 42 ALA C C 42 175.028 175.028 175.246 -0.218 18210 2158 1 18 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.044 0.500 18210 2159 1 18 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.562 0.671 18210 2160 1 18 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.780 -0.001 18210 2161 1 18 . 1 1 43 43 HIS C C 43 172.767 172.767 174.940 -2.173 18210 2162 1 18 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.253 -1.652 18210 2163 1 18 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.450 -2.151 18210 2164 1 18 . 1 1 43 43 HIS H H 43 8.722 8.722 8.507 0.215 18210 2165 1 18 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.061 -0.021 18210 2166 1 18 . 1 1 44 44 ALA C C 44 178.087 178.087 177.957 0.130 18210 2167 1 18 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.340 -0.478 18210 2168 1 18 . 1 1 44 44 ALA CB C 44 19.024 19.024 18.978 0.046 18210 2169 1 18 . 1 1 44 44 ALA H H 44 8.468 8.468 8.008 0.460 18210 2170 1 18 . 1 1 45 45 ASN N N 45 113.483 113.483 112.786 0.697 18210 2171 1 18 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.781 -0.439 18210 2172 1 18 . 1 1 45 45 ASN C C 45 174.441 174.441 174.555 -0.114 18210 2173 1 18 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.148 2.180 18210 2174 1 18 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.360 -0.681 18210 2175 1 18 . 1 1 45 45 ASN H H 45 7.356 7.356 8.381 -1.025 18210 2176 1 18 . 1 1 46 46 ASP N N 46 120.941 120.941 120.524 0.417 18210 2177 1 18 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.746 -0.155 18210 2178 1 18 . 1 1 46 46 ASP C C 46 175.724 175.724 176.042 -0.318 18210 2179 1 18 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.877 1.292 18210 2180 1 18 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.259 0.260 18210 2181 1 18 . 1 1 46 46 ASP H H 46 7.959 7.959 8.261 -0.302 18210 2182 1 18 . 1 1 47 47 LEU N N 47 123.735 123.735 121.906 1.829 18210 2183 1 18 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.403 0.573 18210 2184 1 18 . 1 1 47 47 LEU C C 47 175.735 175.735 176.820 -1.085 18210 2185 1 18 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.980 -0.289 18210 2186 1 18 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.497 1.069 18210 2187 1 18 . 1 1 47 47 LEU H H 47 8.156 8.156 8.481 -0.325 18210 2188 1 18 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.684 0.587 18210 2189 1 18 . 1 1 48 48 ILE C C 48 175.979 175.979 175.430 0.549 18210 2190 1 18 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.874 0.079 18210 2191 1 18 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.669 2.469 18210 2192 1 18 . 1 1 49 49 GLY N N 49 102.726 102.726 110.600 -7.874 18210 2193 1 18 . 1 1 49 49 GLY C C 49 169.506 169.506 171.823 -2.317 18210 2194 1 18 . 1 1 49 49 GLY CA C 49 48.190 48.190 46.057 2.133 18210 2195 1 18 . 1 1 49 49 GLY H H 49 7.900 7.900 8.508 -0.608 18210 2196 1 18 . 1 1 50 50 PHE N N 50 111.884 111.884 113.609 -1.725 18210 2197 1 18 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.686 0.227 18210 2198 1 18 . 1 1 50 50 PHE C C 50 171.823 171.823 171.979 -0.156 18210 2199 1 18 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.583 -0.856 18210 2200 1 18 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.832 0.197 18210 2201 1 18 . 1 1 50 50 PHE H H 50 8.248 8.248 8.246 0.002 18210 2202 1 18 . 1 1 51 51 LYS N N 51 117.924 117.924 119.198 -1.274 18210 2203 1 18 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.102 0.282 18210 2204 1 18 . 1 1 51 51 LYS C C 51 176.140 176.140 174.416 1.724 18210 2205 1 18 . 1 1 51 51 LYS CA C 51 54.421 54.421 55.132 -0.711 18210 2206 1 18 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.275 0.645 18210 2207 1 18 . 1 1 51 51 LYS H H 51 7.857 7.857 7.922 -0.065 18210 2208 1 18 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.126 -0.105 18210 2209 1 18 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.830 -4.639 18210 2210 1 18 . 1 1 52 52 CYS CB C 52 41.187 41.187 29.850 11.337 18210 2211 1 18 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.404 -0.027 18210 2212 1 18 . 1 1 53 53 PRO C C 53 177.624 177.624 177.148 0.476 18210 2213 1 18 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.009 -0.439 18210 2214 1 18 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.246 -0.990 18210 2215 1 18 . 1 1 54 54 SER HA H 54 4.106 4.106 4.282 -0.176 18210 2216 1 18 . 1 1 54 54 SER C C 54 174.271 174.271 174.810 -0.539 18210 2217 1 18 . 1 1 54 54 SER CA C 54 61.221 61.221 60.193 1.028 18210 2218 1 18 . 1 1 54 54 SER CB C 54 63.243 63.243 62.997 0.246 18210 2219 1 18 . 1 1 55 55 ASN N N 55 115.116 115.116 117.148 -2.032 18210 2220 1 18 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.812 -0.139 18210 2221 1 18 . 1 1 55 55 ASN C C 55 174.556 174.556 174.609 -0.053 18210 2222 1 18 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.611 0.253 18210 2223 1 18 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.866 -1.942 18210 2224 1 18 . 1 1 55 55 ASN H H 55 8.712 8.712 8.358 0.354 18210 2225 1 18 . 1 1 56 56 TYR N N 56 120.489 120.489 119.777 0.712 18210 2226 1 18 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.626 0.066 18210 2227 1 18 . 1 1 56 56 TYR C C 56 176.019 176.019 174.984 1.035 18210 2228 1 18 . 1 1 56 56 TYR CA C 56 57.469 57.469 58.202 -0.733 18210 2229 1 18 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.170 -2.473 18210 2230 1 18 . 1 1 56 56 TYR H H 56 7.637 7.637 7.749 -0.112 18210 2231 1 18 . 1 1 57 57 SER N N 57 117.381 117.381 115.606 1.775 18210 2232 1 18 . 1 1 57 57 SER HA H 57 4.915 4.915 4.891 0.024 18210 2233 1 18 . 1 1 57 57 SER C C 57 173.649 173.649 173.877 -0.228 18210 2234 1 18 . 1 1 57 57 SER CA C 57 57.586 57.586 56.499 1.087 18210 2235 1 18 . 1 1 57 57 SER CB C 57 64.766 64.766 64.205 0.561 18210 2236 1 18 . 1 1 57 57 SER H H 57 9.323 9.323 8.358 0.965 18210 2237 1 18 . 1 1 58 58 VAL N N 58 125.696 125.696 123.128 2.568 18210 2238 1 18 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.400 0.412 18210 2239 1 18 . 1 1 58 58 VAL C C 58 174.911 174.911 175.130 -0.219 18210 2240 1 18 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.607 0.282 18210 2241 1 18 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.499 0.686 18210 2242 1 18 . 1 1 58 58 VAL H H 58 8.474 8.474 8.784 -0.310 18210 2243 1 18 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.879 -0.219 18210 2244 1 18 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.968 -0.369 18210 2245 1 18 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.034 -0.124 18210 2246 1 18 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.678 0.022 18210 2247 1 18 . 1 1 60 60 PRO C C 60 176.708 176.708 176.395 0.313 18210 2248 1 18 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.113 -0.382 18210 2249 1 18 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.434 1.572 18210 2250 1 18 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.711 -0.348 18210 2251 1 18 . 1 1 61 61 HIS C C 61 174.320 174.320 174.742 -0.422 18210 2252 1 18 . 1 1 61 61 HIS CA C 61 58.473 58.473 57.259 1.214 18210 2253 1 18 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.053 -2.538 18210 2254 1 18 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.648 0.395 18210 2255 1 18 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.159 -1.821 18210 2256 1 18 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.262 -0.752 18210 2257 1 18 . 1 1 63 63 CYS N N 63 120.346 120.346 118.038 2.308 18210 2258 1 18 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.772 -0.549 18210 2259 1 18 . 1 1 63 63 CYS C C 63 171.976 171.976 175.423 -3.447 18210 2260 1 18 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.013 -0.509 18210 2261 1 18 . 1 1 63 63 CYS CB C 63 41.081 41.081 28.120 12.961 18210 2262 1 18 . 1 1 63 63 CYS H H 63 6.446 6.446 8.245 -1.799 18210 2263 1 18 . 1 1 64 64 PHE N N 64 116.155 116.155 117.641 -1.486 18210 2264 1 18 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.421 -0.201 18210 2265 1 18 . 1 1 64 64 PHE C C 64 177.110 177.110 177.131 -0.021 18210 2266 1 18 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.398 0.193 18210 2267 1 18 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.795 3.354 18210 2268 1 18 . 1 1 64 64 PHE H H 64 7.697 7.697 7.659 0.038 18210 2269 1 18 . 1 1 65 65 VAL N N 65 119.794 119.794 119.335 0.459 18210 2270 1 18 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.727 0.238 18210 2271 1 18 . 1 1 65 65 VAL C C 65 176.948 176.948 176.172 0.776 18210 2272 1 18 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.618 1.345 18210 2273 1 18 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.911 -0.827 18210 2274 1 18 . 1 1 65 65 VAL H H 65 8.449 8.449 7.214 1.235 18210 2275 1 18 . 1 1 66 66 SER N N 66 113.648 113.648 111.790 1.858 18210 2276 1 18 . 1 1 66 66 SER HA H 66 5.041 5.041 4.644 0.397 18210 2277 1 18 . 1 1 66 66 SER C C 66 173.905 173.905 172.728 1.177 18210 2278 1 18 . 1 1 66 66 SER CA C 66 56.701 56.701 57.025 -0.324 18210 2279 1 18 . 1 1 66 66 SER CB C 66 65.738 65.738 64.163 1.575 18210 2280 1 18 . 1 1 66 66 SER H H 66 7.706 7.706 7.549 0.157 18210 2281 1 18 . 1 1 67 67 ALA N N 67 115.370 115.370 127.431 -12.061 18210 2282 1 18 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.348 -0.304 18210 2283 1 18 . 1 1 67 67 ALA C C 67 175.316 175.316 174.514 0.802 18210 2284 1 18 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.663 0.459 18210 2285 1 18 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.998 2.829 18210 2286 1 18 . 1 1 67 67 ALA H H 67 9.280 9.280 8.255 1.025 18210 2287 1 18 . 1 1 68 68 PHE N N 68 116.820 116.820 117.095 -0.275 18210 2288 1 18 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.295 -0.296 18210 2289 1 18 . 1 1 68 68 PHE C C 68 176.533 176.533 176.431 0.102 18210 2290 1 18 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.909 0.629 18210 2291 1 18 . 1 1 68 68 PHE CB C 68 38.964 38.964 40.149 -1.185 18210 2292 1 18 . 1 1 68 68 PHE H H 68 8.520 8.520 8.668 -0.148 18210 2293 1 18 . 1 1 69 69 ASN N N 69 118.203 118.203 119.410 -1.207 18210 2294 1 18 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.785 0.257 18210 2295 1 18 . 1 1 69 69 ASN C C 69 176.820 176.820 177.312 -0.492 18210 2296 1 18 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.063 -1.027 18210 2297 1 18 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.442 0.052 18210 2298 1 18 . 1 1 69 69 ASN H H 69 8.498 8.498 8.598 -0.100 18210 2299 1 18 . 1 1 70 70 LEU N N 70 118.189 118.189 121.154 -2.965 18210 2300 1 18 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.341 -0.062 18210 2301 1 18 . 1 1 70 70 LEU C C 70 178.484 178.484 177.908 0.576 18210 2302 1 18 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.712 0.053 18210 2303 1 18 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.828 -0.190 18210 2304 1 18 . 1 1 70 70 LEU H H 70 8.514 8.514 8.846 -0.332 18210 2305 1 18 . 1 1 71 71 SER N N 71 113.939 113.939 113.671 0.268 18210 2306 1 18 . 1 1 71 71 SER HA H 71 4.572 4.572 4.497 0.075 18210 2307 1 18 . 1 1 71 71 SER C C 71 174.682 174.682 175.108 -0.426 18210 2308 1 18 . 1 1 71 71 SER CA C 71 58.758 58.758 58.667 0.091 18210 2309 1 18 . 1 1 71 71 SER CB C 71 63.762 63.762 63.410 0.353 18210 2310 1 18 . 1 1 71 71 SER H H 71 8.049 8.049 7.934 0.115 18210 2311 1 18 . 1 1 72 72 GLY N N 72 109.936 109.936 108.584 1.352 18210 2312 1 18 . 1 1 72 72 GLY C C 72 173.549 173.549 173.464 0.085 18210 2313 1 18 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.559 0.079 18210 2314 1 18 . 1 1 72 72 GLY H H 72 8.641 8.641 7.848 0.793 18210 2315 1 18 . 1 1 73 73 LYS N N 73 119.884 119.884 119.026 0.858 18210 2316 1 18 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.576 -0.023 18210 2317 1 18 . 1 1 73 73 LYS C C 73 175.750 175.750 175.704 0.046 18210 2318 1 18 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.318 0.340 18210 2319 1 18 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.677 0.064 18210 2320 1 18 . 1 1 73 73 LYS H H 73 7.738 7.738 7.844 -0.106 18210 2321 1 18 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.394 0.126 18210 2322 1 18 . 1 1 74 74 ASN C C 74 174.680 174.680 174.853 -0.173 18210 2323 1 18 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.874 0.358 18210 2324 1 18 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.568 0.759 18210 2325 1 18 . 1 1 75 75 GLU N N 75 124.834 124.834 125.097 -0.263 18210 2326 1 18 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.566 0.032 18210 2327 1 18 . 1 1 75 75 GLU C C 75 174.547 174.547 174.490 0.057 18210 2328 1 18 . 1 1 75 75 GLU CA C 75 54.887 54.887 54.596 0.291 18210 2329 1 18 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.523 -0.615 18210 2330 1 18 . 1 1 75 75 GLU H H 75 8.835 8.835 8.872 -0.037 18210 2331 1 18 . 1 1 76 76 ASN N N 76 121.549 121.549 118.126 3.423 18210 2332 1 18 . 1 1 76 76 ASN HA H 76 4.675 4.675 5.060 -0.385 18210 2333 1 18 . 1 1 76 76 ASN C C 76 175.670 175.670 175.131 0.539 18210 2334 1 18 . 1 1 76 76 ASN CA C 76 54.120 54.120 52.961 1.159 18210 2335 1 18 . 1 1 76 76 ASN CB C 76 39.042 39.042 39.404 -0.362 18210 2336 1 18 . 1 1 76 76 ASN H H 76 8.580 8.580 8.652 -0.072 18210 2337 1 18 . 1 1 77 77 LEU N N 77 125.808 125.808 123.779 2.029 18210 2338 1 18 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.578 -0.471 18210 2339 1 18 . 1 1 77 77 LEU C C 77 178.104 178.104 177.358 0.746 18210 2340 1 18 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.509 1.482 18210 2341 1 18 . 1 1 77 77 LEU CB C 77 42.384 42.384 43.109 -0.725 18210 2342 1 18 . 1 1 77 77 LEU H H 77 8.610 8.610 8.097 0.513 18210 2343 1 18 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.136 -0.120 18210 2344 1 18 . 1 1 78 78 GLU C C 78 176.833 176.833 177.558 -0.725 18210 2345 1 18 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.924 0.726 18210 2346 1 18 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.496 1.188 18210 2347 1 18 . 1 1 79 79 ASN N N 79 114.719 114.719 115.955 -1.236 18210 2348 1 18 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.441 0.123 18210 2349 1 18 . 1 1 79 79 ASN C C 79 175.510 175.510 176.055 -0.545 18210 2350 1 18 . 1 1 79 79 ASN CA C 79 54.392 54.392 54.877 -0.485 18210 2351 1 18 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.575 1.143 18210 2352 1 18 . 1 1 79 79 ASN H H 79 8.257 8.257 8.204 0.053 18210 2353 1 18 . 1 1 80 80 LYS N N 80 118.906 118.906 119.442 -0.536 18210 2354 1 18 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.179 0.114 18210 2355 1 18 . 1 1 80 80 LYS C C 80 175.748 175.748 176.150 -0.402 18210 2356 1 18 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.344 0.421 18210 2357 1 18 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.658 0.687 18210 2358 1 18 . 1 1 80 80 LYS H H 80 7.818 7.818 7.383 0.435 18210 2359 1 18 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.344 -0.194 18210 2360 1 18 . 1 1 81 81 LEU C C 81 174.688 174.688 174.841 -0.153 18210 2361 1 18 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.849 0.673 18210 2362 1 18 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.079 -1.016 18210 2363 1 18 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.213 -0.044 18210 2364 1 18 . 1 1 82 82 LYS C C 82 175.701 175.701 175.827 -0.126 18210 2365 1 18 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.919 0.249 18210 2366 1 18 . 1 1 82 82 LYS CB C 82 30.017 30.017 30.978 -0.961 18210 2367 1 18 . 1 1 83 83 LEU N N 83 120.762 120.762 125.624 -4.862 18210 2368 1 18 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.293 0.127 18210 2369 1 18 . 1 1 83 83 LEU C C 83 177.184 177.184 177.607 -0.423 18210 2370 1 18 . 1 1 83 83 LEU CA C 83 55.219 55.219 55.141 0.079 18210 2371 1 18 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.645 -0.334 18210 2372 1 18 . 1 1 83 83 LEU H H 83 7.485 7.485 7.801 -0.316 18210 2373 1 18 . 1 1 84 84 THR N N 84 110.955 110.955 114.417 -3.462 18210 2374 1 18 . 1 1 84 84 THR HA H 84 4.712 4.712 4.484 0.228 18210 2375 1 18 . 1 1 84 84 THR C C 84 173.001 173.001 173.999 -0.998 18210 2376 1 18 . 1 1 84 84 THR CA C 84 59.883 59.883 60.500 -0.617 18210 2377 1 18 . 1 1 84 84 THR CB C 84 71.825 71.825 72.010 -0.185 18210 2378 1 18 . 1 1 84 84 THR H H 84 8.519 8.519 8.190 0.329 18210 2379 1 18 . 1 1 85 85 ASN N N 85 117.589 117.589 117.587 0.002 18210 2380 1 18 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.365 -0.219 18210 2381 1 18 . 1 1 85 85 ASN C C 85 173.572 173.572 174.346 -0.774 18210 2382 1 18 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.968 0.351 18210 2383 1 18 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.043 1.865 18210 2384 1 18 . 1 1 85 85 ASN H H 85 8.850 8.850 8.756 0.094 18210 2385 1 18 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.167 0.125 18210 2386 1 18 . 1 1 86 86 ILE C C 86 177.346 177.346 176.129 1.217 18210 2387 1 18 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.550 1.257 18210 2388 1 18 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.821 -0.122 18210 2389 1 18 . 1 1 87 87 ILE N N 87 131.807 131.807 129.135 2.672 18210 2390 1 18 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.511 -0.256 18210 2391 1 18 . 1 1 87 87 ILE C C 87 174.493 174.493 174.399 0.094 18210 2392 1 18 . 1 1 87 87 ILE CA C 87 60.152 60.152 60.032 0.120 18210 2393 1 18 . 1 1 87 87 ILE CB C 87 41.110 41.110 38.561 2.549 18210 2394 1 18 . 1 1 87 87 ILE H H 87 9.166 9.166 8.487 0.679 18210 2395 1 18 . 1 1 88 88 MET HA H 88 4.017 4.017 4.716 -0.699 18210 2396 1 18 . 1 1 88 88 MET C C 88 173.613 173.613 174.446 -0.833 18210 2397 1 18 . 1 1 88 88 MET CA C 88 53.287 53.287 54.973 -1.686 18210 2398 1 18 . 1 1 88 88 MET CB C 88 33.478 33.478 34.559 -1.081 18210 2399 1 18 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.907 -0.210 18210 2400 1 18 . 1 1 89 89 ASP C C 89 176.750 176.750 175.803 0.947 18210 2401 1 18 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.853 -0.752 18210 2402 1 18 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.378 -1.187 18210 2403 1 18 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.389 0.051 18210 2404 1 18 . 1 1 90 90 HIS C C 90 175.625 175.625 176.946 -1.321 18210 2405 1 18 . 1 1 90 90 HIS CA C 90 58.254 58.254 59.212 -0.958 18210 2406 1 18 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.545 -1.966 18210 2407 1 18 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.231 0.209 18210 2408 1 18 . 1 1 91 91 TYR C C 91 177.915 177.915 175.823 2.092 18210 2409 1 18 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.317 -0.557 18210 2410 1 18 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.541 -0.474 18210 2411 1 18 . 1 1 92 92 ASN N N 92 113.661 113.661 113.157 0.504 18210 2412 1 18 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.489 0.284 18210 2413 1 18 . 1 1 92 92 ASN C C 92 174.762 174.762 174.507 0.255 18210 2414 1 18 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.793 -0.178 18210 2415 1 18 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.230 1.052 18210 2416 1 18 . 1 1 92 92 ASN H H 92 7.713 7.713 8.506 -0.793 18210 2417 1 18 . 1 1 93 93 ASN N N 93 125.176 125.176 115.252 9.924 18210 2418 1 18 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.260 0.449 18210 2419 1 18 . 1 1 93 93 ASN C C 93 172.729 172.729 173.303 -0.574 18210 2420 1 18 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.497 -1.762 18210 2421 1 18 . 1 1 93 93 ASN CB C 93 37.961 37.961 37.157 0.804 18210 2422 1 18 . 1 1 93 93 ASN H H 93 7.804 7.804 7.784 0.020 18210 2423 1 18 . 1 1 94 94 THR N N 94 109.900 109.900 112.136 -2.236 18210 2424 1 18 . 1 1 94 94 THR HA H 94 4.852 4.852 4.767 0.085 18210 2425 1 18 . 1 1 94 94 THR C C 94 170.824 170.824 171.637 -0.813 18210 2426 1 18 . 1 1 94 94 THR CA C 94 61.817 61.817 60.603 1.214 18210 2427 1 18 . 1 1 94 94 THR CB C 94 71.074 71.074 70.743 0.331 18210 2428 1 18 . 1 1 94 94 THR H H 94 7.654 7.654 7.410 0.244 18210 2429 1 18 . 1 1 95 95 PHE N N 95 126.721 126.721 125.507 1.214 18210 2430 1 18 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.095 0.013 18210 2431 1 18 . 1 1 95 95 PHE C C 95 174.143 174.143 173.909 0.234 18210 2432 1 18 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.821 -0.252 18210 2433 1 18 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.704 0.089 18210 2434 1 18 . 1 1 95 95 PHE H H 95 8.166 8.166 7.819 0.347 18210 2435 1 18 . 1 1 96 96 TYR N N 96 115.709 115.709 120.069 -4.360 18210 2436 1 18 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.305 0.762 18210 2437 1 18 . 1 1 96 96 TYR C C 96 175.734 175.734 174.544 1.190 18210 2438 1 18 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.760 -0.328 18210 2439 1 18 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.900 1.267 18210 2440 1 18 . 1 1 96 96 TYR H H 96 9.149 9.149 8.676 0.473 18210 2441 1 18 . 1 1 97 97 SER N N 97 109.503 109.503 115.178 -5.675 18210 2442 1 18 . 1 1 97 97 SER HA H 97 4.430 4.430 4.872 -0.442 18210 2443 1 18 . 1 1 97 97 SER C C 97 170.684 170.684 172.934 -2.250 18210 2444 1 18 . 1 1 97 97 SER CA C 97 59.324 59.324 56.884 2.440 18210 2445 1 18 . 1 1 97 97 SER CB C 97 66.341 66.341 64.720 1.621 18210 2446 1 18 . 1 1 97 97 SER H H 97 8.921 8.921 9.345 -0.424 18210 2447 1 18 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.763 0.631 18210 2448 1 18 . 1 1 98 98 ARG C C 98 175.850 175.850 175.327 0.523 18210 2449 1 18 . 1 1 98 98 ARG CA C 98 54.176 54.176 53.501 0.675 18210 2450 1 18 . 1 1 98 98 ARG CB C 98 33.127 33.127 31.532 1.595 18210 2451 1 18 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.677 -0.347 18210 2452 1 18 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.736 1.070 18210 2453 1 18 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.189 -1.286 18210 2454 1 18 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.327 0.349 18210 2455 1 18 . 1 1 100 100 PRO C C 100 175.744 175.744 176.504 -0.760 18210 2456 1 18 . 1 1 100 100 PRO CA C 100 62.289 62.289 62.920 -0.631 18210 2457 1 18 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.551 0.235 18210 2458 1 18 . 1 1 101 101 SER HA H 101 4.126 4.126 4.418 -0.292 18210 2459 1 18 . 1 1 101 101 SER C C 101 173.214 173.214 174.291 -1.077 18210 2460 1 18 . 1 1 101 101 SER CA C 101 60.265 60.265 59.491 0.774 18210 2461 1 18 . 1 1 101 101 SER CB C 101 63.660 63.660 63.862 -0.202 18210 2462 1 18 . 1 1 102 102 LEU N N 102 121.389 121.389 121.869 -0.480 18210 2463 1 18 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.552 -0.020 18210 2464 1 18 . 1 1 102 102 LEU C C 102 175.187 175.187 175.079 0.108 18210 2465 1 18 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.738 -0.052 18210 2466 1 18 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.356 0.024 18210 2467 1 18 . 1 1 102 102 LEU H H 102 7.179 7.179 7.395 -0.216 18210 2468 1 18 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.471 -0.028 18210 2469 1 18 . 1 1 103 103 ILE C C 103 175.490 175.490 175.129 0.361 18210 2470 1 18 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.144 -1.235 18210 2471 1 18 . 1 1 103 103 ILE CB C 103 39.678 39.678 40.240 -0.562 18210 2472 1 18 . 1 1 104 104 SER N N 104 120.807 120.807 121.375 -0.568 18210 2473 1 18 . 1 1 104 104 SER HA H 104 4.581 4.581 4.687 -0.106 18210 2474 1 18 . 1 1 104 104 SER C C 104 173.234 173.234 173.233 0.001 18210 2475 1 18 . 1 1 104 104 SER CA C 104 58.166 58.166 58.298 -0.132 18210 2476 1 18 . 1 1 104 104 SER CB C 104 64.341 64.341 63.919 0.422 18210 2477 1 18 . 1 1 104 104 SER H H 104 8.471 8.471 8.511 -0.040 18210 2478 1 18 . 1 1 105 105 ASP N N 105 119.103 119.103 121.733 -2.630 18210 2479 1 18 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.857 -0.208 18210 2480 1 18 . 1 1 105 105 ASP C C 105 174.991 174.991 174.855 0.136 18210 2481 1 18 . 1 1 105 105 ASP CA C 105 53.734 53.734 53.455 0.279 18210 2482 1 18 . 1 1 105 105 ASP CB C 105 42.477 42.477 43.731 -1.254 18210 2483 1 18 . 1 1 105 105 ASP H H 105 8.060 8.060 7.890 0.170 18210 2484 1 18 . 1 1 106 106 ASN N N 106 116.036 116.036 118.811 -2.775 18210 2485 1 18 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.917 -0.182 18210 2486 1 18 . 1 1 106 106 ASN C C 106 174.308 174.308 175.441 -1.133 18210 2487 1 18 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.417 1.363 18210 2488 1 18 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.931 0.091 18210 2489 1 18 . 1 1 106 106 ASN H H 106 8.389 8.389 8.523 -0.134 18210 2490 1 18 . 1 1 107 107 TRP N N 107 119.645 119.645 120.962 -1.317 18210 2491 1 18 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.821 0.008 18210 2492 1 18 . 1 1 107 107 TRP C C 107 174.949 174.949 175.438 -0.489 18210 2493 1 18 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.461 -0.269 18210 2494 1 18 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.608 2.605 18210 2495 1 18 . 1 1 107 107 TRP H H 107 7.846 7.846 8.187 -0.341 18210 2496 1 18 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.802 0.660 18210 2497 1 18 . 1 1 108 108 LYS C C 108 174.986 174.986 174.982 0.004 18210 2498 1 18 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.410 0.786 18210 2499 1 18 . 1 1 108 108 LYS CB C 108 36.215 36.215 35.969 0.246 18210 2500 1 18 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.321 0.224 18210 2501 1 18 . 1 1 109 109 PHE C C 109 172.950 172.950 172.533 0.417 18210 2502 1 18 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.345 0.075 18210 2503 1 18 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.022 -0.131 18210 2504 1 18 . 1 1 110 110 PHE N N 110 115.390 115.390 114.260 1.130 18210 2505 1 18 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.098 0.934 18210 2506 1 18 . 1 1 110 110 PHE C C 110 173.892 173.892 173.548 0.344 18210 2507 1 18 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.619 0.613 18210 2508 1 18 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.865 2.501 18210 2509 1 18 . 1 1 110 110 PHE H H 110 9.267 9.267 7.666 1.601 18210 2510 1 18 . 1 1 111 111 CYS N N 111 116.463 116.463 117.617 -1.154 18210 2511 1 18 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.931 0.130 18210 2512 1 18 . 1 1 111 111 CYS C C 111 171.900 171.900 173.050 -1.150 18210 2513 1 18 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.865 -4.013 18210 2514 1 18 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.215 16.615 18210 2515 1 18 . 1 1 111 111 CYS H H 111 9.274 9.274 8.908 0.366 18210 2516 1 18 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.164 0.038 18210 2517 1 18 . 1 1 112 112 VAL C C 112 175.041 175.041 174.377 0.664 18210 2518 1 18 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.560 -0.117 18210 2519 1 18 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.063 0.514 18210 2520 1 18 . 1 1 112 112 VAL H H 112 9.605 9.605 8.379 1.226 18210 2521 1 18 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.548 0.212 18210 2522 1 18 . 1 1 113 113 CYS C C 113 173.601 173.601 173.656 -0.055 18210 2523 1 18 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.465 -4.644 18210 2524 1 18 . 1 1 113 113 CYS CB C 113 43.946 43.946 28.977 14.969 18210 2525 1 18 . 1 1 114 114 SER N N 114 117.968 117.968 118.874 -0.906 18210 2526 1 18 . 1 1 114 114 SER HA H 114 5.093 5.093 5.026 0.067 18210 2527 1 18 . 1 1 114 114 SER C C 114 172.267 172.267 172.512 -0.245 18210 2528 1 18 . 1 1 114 114 SER CA C 114 56.677 56.677 58.120 -1.443 18210 2529 1 18 . 1 1 114 114 SER CB C 114 66.795 66.795 65.686 1.109 18210 2530 1 18 . 1 1 114 114 SER H H 114 9.250 9.250 9.339 -0.089 18210 2531 1 18 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.488 -0.382 18210 2532 1 18 . 1 1 115 115 LYS C C 115 174.527 174.527 174.200 0.327 18210 2533 1 18 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.317 0.605 18210 2534 1 18 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.535 -2.526 18210 2535 1 18 . 1 1 115 115 LYS H H 115 8.705 8.705 8.428 0.277 18210 2536 1 18 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.433 -0.242 18210 2537 1 18 . 1 1 116 116 ASP C C 116 176.002 176.002 176.240 -0.238 18210 2538 1 18 . 1 1 116 116 ASP CA C 116 56.314 56.314 54.602 1.712 18210 2539 1 18 . 1 1 116 116 ASP CB C 116 40.447 40.447 41.029 -0.582 18210 2540 1 18 . 1 1 117 117 ASN N N 117 116.913 116.913 119.158 -2.245 18210 2541 1 18 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.172 0.267 18210 2542 1 18 . 1 1 117 117 ASN C C 117 174.246 174.246 173.739 0.507 18210 2543 1 18 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.533 -0.100 18210 2544 1 18 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.020 0.161 18210 2545 1 18 . 1 1 117 117 ASN H H 117 8.752 8.752 8.588 0.164 18210 2546 1 18 . 1 1 118 118 GLU N N 118 116.615 116.615 118.127 -1.512 18210 2547 1 18 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.451 0.309 18210 2548 1 18 . 1 1 118 118 GLU C C 118 177.397 177.397 175.658 1.739 18210 2549 1 18 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.372 -1.063 18210 2550 1 18 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.359 -2.268 18210 2551 1 18 . 1 1 118 118 GLU H H 118 7.819 7.819 8.185 -0.366 18210 2552 1 18 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.192 -0.027 18210 2553 1 18 . 1 1 119 119 LYS C C 119 177.626 177.626 176.709 0.917 18210 2554 1 18 . 1 1 119 119 LYS CA C 119 57.540 57.540 56.932 0.608 18210 2555 1 18 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.636 0.209 18210 2556 1 18 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.454 -0.149 18210 2557 1 18 . 1 1 120 120 LYS C C 120 174.312 174.312 175.128 -0.816 18210 2558 1 18 . 1 1 120 120 LYS CA C 120 57.106 57.106 54.976 2.130 18210 2559 1 18 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.650 -0.462 18210 2560 1 18 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.319 0.240 18210 2561 1 18 . 1 1 121 121 LEU C C 121 174.893 174.893 175.162 -0.269 18210 2562 1 18 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.672 -1.068 18210 2563 1 18 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.892 -3.286 18210 2564 1 18 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.648 -0.287 18210 2565 1 18 . 1 1 122 122 VAL C C 122 173.909 173.909 174.332 -0.423 18210 2566 1 18 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.205 0.823 18210 2567 1 18 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.680 -0.086 18210 2568 1 18 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.889 0.286 18210 2569 1 18 . 1 1 123 123 PHE C C 123 173.230 173.230 173.141 0.089 18210 2570 1 18 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.020 0.294 18210 2571 1 18 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.861 -1.029 18210 2572 1 18 . 1 1 124 124 THR N N 124 121.688 121.688 123.425 -1.737 18210 2573 1 18 . 1 1 124 124 THR HA H 124 4.885 4.885 4.673 0.212 18210 2574 1 18 . 1 1 124 124 THR C C 124 170.874 170.874 172.206 -1.332 18210 2575 1 18 . 1 1 124 124 THR CA C 124 60.087 60.087 60.050 0.037 18210 2576 1 18 . 1 1 124 124 THR CB C 124 70.942 70.942 71.299 -0.357 18210 2577 1 18 . 1 1 124 124 THR H H 124 8.493 8.493 8.334 0.159 18210 2578 1 18 . 1 1 125 125 VAL N N 125 125.781 125.781 121.104 4.677 18210 2579 1 18 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.096 -0.580 18210 2580 1 18 . 1 1 125 125 VAL C C 125 173.796 173.796 172.833 0.963 18210 2581 1 18 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.690 1.103 18210 2582 1 18 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.857 -2.623 18210 2583 1 18 . 1 1 125 125 VAL H H 125 8.275 8.275 7.782 0.493 18210 2584 1 18 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.943 -0.054 18210 2585 1 18 . 1 1 126 126 GLU C C 126 173.519 173.519 174.473 -0.954 18210 2586 1 18 . 1 1 126 126 GLU CA C 126 53.966 53.966 53.723 0.243 18210 2587 1 18 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.734 -0.772 18210 2588 1 18 . 1 1 126 126 GLU H H 126 8.262 8.262 8.018 0.244 18210 2589 1 19 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.451 -0.282 18210 2590 1 19 . 1 1 2 2 LYS C C 2 176.160 176.160 176.271 -0.111 18210 2591 1 19 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.247 0.718 18210 2592 1 19 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.230 0.035 18210 2593 1 19 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.214 -0.301 18210 2594 1 19 . 1 1 3 3 VAL C C 3 175.820 175.820 175.677 0.143 18210 2595 1 19 . 1 1 3 3 VAL CA C 3 62.488 62.488 60.974 1.514 18210 2596 1 19 . 1 1 3 3 VAL CB C 3 32.780 32.780 33.099 -0.319 18210 2597 1 19 . 1 1 4 4 LYS N N 4 129.029 129.029 126.959 2.070 18210 2598 1 19 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.541 -0.034 18210 2599 1 19 . 1 1 4 4 LYS C C 4 174.923 174.923 176.693 -1.770 18210 2600 1 19 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.036 1.267 18210 2601 1 19 . 1 1 4 4 LYS CB C 4 32.251 32.251 31.816 0.435 18210 2602 1 19 . 1 1 4 4 LYS H H 4 8.507 8.507 8.362 0.145 18210 2603 1 19 . 1 1 5 5 GLY N N 5 110.242 110.242 109.733 0.509 18210 2604 1 19 . 1 1 5 5 GLY C C 5 173.333 173.333 171.659 1.674 18210 2605 1 19 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.436 0.828 18210 2606 1 19 . 1 1 5 5 GLY H H 5 8.138 8.138 8.337 -0.199 18210 2607 1 19 . 1 1 6 6 CYS N N 6 114.306 114.306 119.883 -5.577 18210 2608 1 19 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.109 0.142 18210 2609 1 19 . 1 1 6 6 CYS C C 6 170.891 170.891 173.032 -2.141 18210 2610 1 19 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.395 -2.545 18210 2611 1 19 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.700 21.450 18210 2612 1 19 . 1 1 6 6 CYS H H 6 6.750 6.750 8.071 -1.321 18210 2613 1 19 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.129 -0.381 18210 2614 1 19 . 1 1 7 7 ASP C C 7 175.607 175.607 175.738 -0.131 18210 2615 1 19 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.524 -0.286 18210 2616 1 19 . 1 1 7 7 ASP CB C 7 41.617 41.617 41.972 -0.355 18210 2617 1 19 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.520 0.357 18210 2618 1 19 . 1 1 8 8 PHE C C 8 173.972 173.972 175.811 -1.839 18210 2619 1 19 . 1 1 8 8 PHE CA C 8 59.455 59.455 59.204 0.251 18210 2620 1 19 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.946 0.273 18210 2621 1 19 . 1 1 9 9 THR N N 9 105.421 105.421 112.286 -6.865 18210 2622 1 19 . 1 1 9 9 THR HA H 9 4.611 4.611 4.465 0.146 18210 2623 1 19 . 1 1 9 9 THR C C 9 174.505 174.505 174.761 -0.256 18210 2624 1 19 . 1 1 9 9 THR CA C 9 61.988 61.988 62.971 -0.983 18210 2625 1 19 . 1 1 9 9 THR CB C 9 70.385 70.385 70.227 0.158 18210 2626 1 19 . 1 1 9 9 THR H H 9 8.996 8.996 8.610 0.386 18210 2627 1 19 . 1 1 10 10 THR N N 10 118.757 118.757 115.839 2.918 18210 2628 1 19 . 1 1 10 10 THR HA H 10 4.526 4.526 4.675 -0.149 18210 2629 1 19 . 1 1 10 10 THR C C 10 171.202 171.202 173.530 -2.328 18210 2630 1 19 . 1 1 10 10 THR CA C 10 60.774 60.774 61.158 -0.384 18210 2631 1 19 . 1 1 10 10 THR CB C 10 68.040 68.040 72.071 -4.031 18210 2632 1 19 . 1 1 10 10 THR H H 10 7.199 7.199 7.573 -0.374 18210 2633 1 19 . 1 1 11 11 SER N N 11 117.117 117.117 117.980 -0.863 18210 2634 1 19 . 1 1 11 11 SER HA H 11 3.907 3.907 4.258 -0.351 18210 2635 1 19 . 1 1 11 11 SER C C 11 174.988 174.988 174.846 0.142 18210 2636 1 19 . 1 1 11 11 SER CA C 11 59.563 59.563 60.158 -0.595 18210 2637 1 19 . 1 1 11 11 SER CB C 11 63.599 63.599 63.426 0.173 18210 2638 1 19 . 1 1 11 11 SER H H 11 7.997 7.997 8.713 -0.716 18210 2639 1 19 . 1 1 12 12 GLU N N 12 125.013 125.013 120.084 4.929 18210 2640 1 19 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.462 0.103 18210 2641 1 19 . 1 1 12 12 GLU C C 12 175.108 175.108 175.601 -0.493 18210 2642 1 19 . 1 1 12 12 GLU CA C 12 54.259 54.259 54.992 -0.734 18210 2643 1 19 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.945 -0.017 18210 2644 1 19 . 1 1 12 12 GLU H H 12 8.375 8.375 8.188 0.187 18210 2645 1 19 . 1 1 13 13 SER N N 13 114.959 114.959 116.607 -1.648 18210 2646 1 19 . 1 1 13 13 SER HA H 13 4.130 4.130 4.474 -0.344 18210 2647 1 19 . 1 1 13 13 SER C C 13 176.833 176.833 174.864 1.969 18210 2648 1 19 . 1 1 13 13 SER CA C 13 58.707 58.707 58.647 0.060 18210 2649 1 19 . 1 1 13 13 SER CB C 13 63.598 63.598 64.813 -1.215 18210 2650 1 19 . 1 1 13 13 SER H H 13 7.879 7.879 8.049 -0.170 18210 2651 1 19 . 1 1 14 14 THR N N 14 117.688 117.688 114.649 3.039 18210 2652 1 19 . 1 1 14 14 THR HA H 14 4.348 4.348 4.470 -0.122 18210 2653 1 19 . 1 1 14 14 THR C C 14 174.550 174.550 175.090 -0.540 18210 2654 1 19 . 1 1 14 14 THR CA C 14 62.435 62.435 62.851 -0.416 18210 2655 1 19 . 1 1 14 14 THR CB C 14 69.114 69.114 68.657 0.457 18210 2656 1 19 . 1 1 14 14 THR H H 14 8.978 8.978 8.896 0.082 18210 2657 1 19 . 1 1 15 15 ILE N N 15 118.851 118.851 114.244 4.607 18210 2658 1 19 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.276 -0.238 18210 2659 1 19 . 1 1 15 15 ILE C C 15 175.389 175.389 173.726 1.663 18210 2660 1 19 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.855 1.845 18210 2661 1 19 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.375 2.072 18210 2662 1 19 . 1 1 15 15 ILE H H 15 7.947 7.947 7.777 0.170 18210 2663 1 19 . 1 1 16 16 PHE N N 16 116.409 116.409 119.099 -2.690 18210 2664 1 19 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.616 -0.098 18210 2665 1 19 . 1 1 16 16 PHE C C 16 176.700 176.700 177.311 -0.611 18210 2666 1 19 . 1 1 16 16 PHE CA C 16 57.462 57.462 55.888 1.574 18210 2667 1 19 . 1 1 16 16 PHE CB C 16 42.712 42.712 41.856 0.856 18210 2668 1 19 . 1 1 16 16 PHE H H 16 7.792 7.792 7.627 0.165 18210 2669 1 19 . 1 1 17 17 SER N N 17 114.126 114.126 117.697 -3.571 18210 2670 1 19 . 1 1 17 17 SER HA H 17 3.984 3.984 4.353 -0.369 18210 2671 1 19 . 1 1 17 17 SER C C 17 174.203 174.203 174.979 -0.776 18210 2672 1 19 . 1 1 17 17 SER CA C 17 61.176 61.176 60.700 0.476 18210 2673 1 19 . 1 1 17 17 SER CB C 17 63.438 63.438 63.713 -0.275 18210 2674 1 19 . 1 1 17 17 SER H H 17 8.666 8.666 8.607 0.059 18210 2675 1 19 . 1 1 18 18 LYS N N 18 122.828 122.828 120.988 1.840 18210 2676 1 19 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.498 0.260 18210 2677 1 19 . 1 1 18 18 LYS C C 18 174.029 174.029 174.902 -0.873 18210 2678 1 19 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.631 0.030 18210 2679 1 19 . 1 1 18 18 LYS CB C 18 35.049 35.049 36.238 -1.189 18210 2680 1 19 . 1 1 18 18 LYS H H 18 8.031 8.031 7.309 0.722 18210 2681 1 19 . 1 1 19 19 GLY N N 19 112.051 112.051 108.479 3.572 18210 2682 1 19 . 1 1 19 19 GLY C C 19 172.307 172.307 172.478 -0.171 18210 2683 1 19 . 1 1 19 19 GLY CA C 19 44.946 44.946 45.337 -0.391 18210 2684 1 19 . 1 1 19 19 GLY H H 19 8.092 8.092 7.785 0.307 18210 2685 1 19 . 1 1 20 20 TYR N N 20 120.060 120.060 118.829 1.231 18210 2686 1 19 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.600 -0.030 18210 2687 1 19 . 1 1 20 20 TYR C C 20 173.557 173.557 174.289 -0.732 18210 2688 1 19 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.057 0.455 18210 2689 1 19 . 1 1 20 20 TYR CB C 20 43.091 43.091 43.093 -0.002 18210 2690 1 19 . 1 1 20 20 TYR H H 20 7.968 7.968 8.840 -0.872 18210 2691 1 19 . 1 1 21 21 SER N N 21 115.201 115.201 114.858 0.343 18210 2692 1 19 . 1 1 21 21 SER HA H 21 4.562 4.562 4.701 -0.139 18210 2693 1 19 . 1 1 21 21 SER C C 21 176.172 176.172 176.362 -0.190 18210 2694 1 19 . 1 1 21 21 SER CA C 21 56.537 56.537 55.918 0.619 18210 2695 1 19 . 1 1 21 21 SER CB C 21 65.257 65.257 64.749 0.508 18210 2696 1 19 . 1 1 21 21 SER H H 21 8.761 8.761 8.484 0.277 18210 2697 1 19 . 1 1 22 22 ILE N N 22 122.867 122.867 121.892 0.975 18210 2698 1 19 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.832 0.327 18210 2699 1 19 . 1 1 22 22 ILE C C 22 177.561 177.561 177.143 0.418 18210 2700 1 19 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.843 -1.129 18210 2701 1 19 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.803 0.052 18210 2702 1 19 . 1 1 22 22 ILE H H 22 8.646 8.646 8.627 0.019 18210 2703 1 19 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.454 0.091 18210 2704 1 19 . 1 1 23 23 ASN C C 23 176.647 176.647 177.778 -1.131 18210 2705 1 19 . 1 1 23 23 ASN CA C 23 55.506 55.506 56.038 -0.532 18210 2706 1 19 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.345 0.108 18210 2707 1 19 . 1 1 24 24 GLU N N 24 118.601 118.601 119.342 -0.741 18210 2708 1 19 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.124 0.162 18210 2709 1 19 . 1 1 24 24 GLU C C 24 177.998 177.998 178.366 -0.368 18210 2710 1 19 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.240 -0.934 18210 2711 1 19 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.408 1.250 18210 2712 1 19 . 1 1 24 24 GLU H H 24 7.837 7.837 7.629 0.208 18210 2713 1 19 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.025 0.148 18210 2714 1 19 . 1 1 25 25 ILE C C 25 176.641 176.641 177.187 -0.546 18210 2715 1 19 . 1 1 25 25 ILE CA C 25 62.612 62.612 63.175 -0.563 18210 2716 1 19 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.277 0.083 18210 2717 1 19 . 1 1 26 26 SER N N 26 116.293 116.293 117.328 -1.035 18210 2718 1 19 . 1 1 26 26 SER HA H 26 4.663 4.663 4.298 0.365 18210 2719 1 19 . 1 1 26 26 SER C C 26 174.462 174.462 174.867 -0.405 18210 2720 1 19 . 1 1 26 26 SER CA C 26 58.392 58.392 59.639 -1.248 18210 2721 1 19 . 1 1 26 26 SER CB C 26 64.380 64.380 64.130 0.250 18210 2722 1 19 . 1 1 26 26 SER H H 26 7.813 7.813 7.730 0.083 18210 2723 1 19 . 1 1 27 27 ASN N N 27 121.919 121.919 122.864 -0.945 18210 2724 1 19 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.405 0.316 18210 2725 1 19 . 1 1 27 27 ASN C C 27 175.869 175.869 176.280 -0.411 18210 2726 1 19 . 1 1 27 27 ASN CA C 27 54.010 54.010 54.136 -0.126 18210 2727 1 19 . 1 1 27 27 ASN CB C 27 38.640 38.640 37.186 1.454 18210 2728 1 19 . 1 1 27 27 ASN H H 27 8.521 8.521 8.597 -0.076 18210 2729 1 19 . 1 1 28 28 LYS N N 28 121.697 121.697 122.127 -0.430 18210 2730 1 19 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.179 0.181 18210 2731 1 19 . 1 1 28 28 LYS C C 28 176.952 176.952 175.997 0.955 18210 2732 1 19 . 1 1 28 28 LYS CA C 28 56.967 56.967 57.516 -0.549 18210 2733 1 19 . 1 1 28 28 LYS CB C 28 32.730 32.730 30.817 1.913 18210 2734 1 19 . 1 1 28 28 LYS H H 28 8.367 8.367 8.576 -0.209 18210 2735 1 19 . 1 1 29 29 SER HA H 29 4.498 4.498 4.423 0.075 18210 2736 1 19 . 1 1 29 29 SER C C 29 174.741 174.741 174.794 -0.053 18210 2737 1 19 . 1 1 29 29 SER CA C 29 58.557 58.557 59.186 -0.629 18210 2738 1 19 . 1 1 29 29 SER CB C 29 63.945 63.945 64.463 -0.518 18210 2739 1 19 . 1 1 30 30 SER N N 30 116.470 116.470 118.940 -2.470 18210 2740 1 19 . 1 1 30 30 SER HA H 30 4.429 4.429 4.394 0.035 18210 2741 1 19 . 1 1 30 30 SER C C 30 174.467 174.467 175.785 -1.318 18210 2742 1 19 . 1 1 30 30 SER CA C 30 58.616 58.616 58.639 -0.023 18210 2743 1 19 . 1 1 30 30 SER CB C 30 63.834 63.834 63.149 0.685 18210 2744 1 19 . 1 1 30 30 SER H H 30 8.140 8.140 8.219 -0.079 18210 2745 1 19 . 1 1 31 31 ASN N N 31 119.457 119.457 126.188 -6.731 18210 2746 1 19 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.406 0.291 18210 2747 1 19 . 1 1 31 31 ASN C C 31 174.930 174.930 177.207 -2.277 18210 2748 1 19 . 1 1 31 31 ASN CA C 31 53.583 53.583 55.760 -2.176 18210 2749 1 19 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.234 0.499 18210 2750 1 19 . 1 1 31 31 ASN H H 31 8.354 8.354 8.792 -0.438 18210 2751 1 19 . 1 1 32 32 ASN N N 32 118.038 118.038 117.697 0.341 18210 2752 1 19 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.449 0.249 18210 2753 1 19 . 1 1 32 32 ASN C C 32 174.979 174.979 176.940 -1.961 18210 2754 1 19 . 1 1 32 32 ASN CA C 32 53.580 53.580 55.070 -1.490 18210 2755 1 19 . 1 1 32 32 ASN CB C 32 38.810 38.810 37.860 0.950 18210 2756 1 19 . 1 1 32 32 ASN H H 32 8.218 8.218 8.683 -0.465 18210 2757 1 19 . 1 1 33 33 GLN N N 33 119.603 119.603 118.736 0.867 18210 2758 1 19 . 1 1 33 33 GLN HA H 33 4.353 4.353 3.931 0.422 18210 2759 1 19 . 1 1 33 33 GLN C C 33 175.735 175.735 176.893 -1.158 18210 2760 1 19 . 1 1 33 33 GLN CA C 33 55.883 55.883 58.314 -2.431 18210 2761 1 19 . 1 1 33 33 GLN CB C 33 29.131 29.131 28.092 1.039 18210 2762 1 19 . 1 1 33 33 GLN H H 33 8.337 8.337 7.644 0.693 18210 2763 1 19 . 1 1 34 34 GLN HA H 34 4.278 4.278 3.964 0.314 18210 2764 1 19 . 1 1 34 34 GLN C C 34 175.170 175.170 175.913 -0.743 18210 2765 1 19 . 1 1 34 34 GLN CA C 34 56.102 56.102 57.932 -1.830 18210 2766 1 19 . 1 1 34 34 GLN CB C 34 29.870 29.870 28.642 1.228 18210 2767 1 19 . 1 1 34 34 GLN H H 34 8.087 8.087 7.635 0.452 18210 2768 1 19 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.077 -0.357 18210 2769 1 19 . 1 1 35 35 ASP C C 35 175.810 175.810 174.787 1.023 18210 2770 1 19 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.284 1.008 18210 2771 1 19 . 1 1 35 35 ASP CB C 35 41.462 41.462 42.328 -0.866 18210 2772 1 19 . 1 1 35 35 ASP H H 35 8.033 8.033 7.612 0.421 18210 2773 1 19 . 1 1 36 36 ILE N N 36 122.378 122.378 125.557 -3.179 18210 2774 1 19 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.256 -0.192 18210 2775 1 19 . 1 1 36 36 ILE C C 36 173.823 173.823 174.243 -0.420 18210 2776 1 19 . 1 1 36 36 ILE CA C 36 60.506 60.506 58.944 1.562 18210 2777 1 19 . 1 1 36 36 ILE CB C 36 37.712 37.712 38.027 -0.315 18210 2778 1 19 . 1 1 36 36 ILE H H 36 8.421 8.421 8.258 0.163 18210 2779 1 19 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.825 -0.318 18210 2780 1 19 . 1 1 37 37 VAL C C 37 174.956 174.956 175.738 -0.782 18210 2781 1 19 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.660 0.875 18210 2782 1 19 . 1 1 37 37 VAL CB C 37 32.932 32.932 33.624 -0.692 18210 2783 1 19 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.732 0.049 18210 2784 1 19 . 1 1 38 38 CYS C C 38 172.106 172.106 174.648 -2.542 18210 2785 1 19 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.395 -3.177 18210 2786 1 19 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.583 23.374 18210 2787 1 19 . 1 1 39 39 THR N N 39 123.385 123.385 123.369 0.016 18210 2788 1 19 . 1 1 39 39 THR HA H 39 4.998 4.998 4.883 0.115 18210 2789 1 19 . 1 1 39 39 THR C C 39 174.687 174.687 173.710 0.977 18210 2790 1 19 . 1 1 39 39 THR CA C 39 61.514 61.514 62.316 -0.802 18210 2791 1 19 . 1 1 39 39 THR CB C 39 69.880 69.880 69.553 0.327 18210 2792 1 19 . 1 1 39 39 THR H H 39 8.229 8.229 8.563 -0.334 18210 2793 1 19 . 1 1 40 40 VAL N N 40 125.782 125.782 122.933 2.849 18210 2794 1 19 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.473 -0.193 18210 2795 1 19 . 1 1 40 40 VAL C C 40 173.622 173.622 173.973 -0.351 18210 2796 1 19 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.563 0.844 18210 2797 1 19 . 1 1 40 40 VAL CB C 40 34.800 34.800 34.681 0.119 18210 2798 1 19 . 1 1 40 40 VAL H H 40 8.892 8.892 8.079 0.813 18210 2799 1 19 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.255 0.650 18210 2800 1 19 . 1 1 41 41 LYS C C 41 175.624 175.624 175.820 -0.196 18210 2801 1 19 . 1 1 41 41 LYS CA C 41 54.247 54.247 56.172 -1.925 18210 2802 1 19 . 1 1 41 41 LYS CB C 41 31.902 31.902 32.764 -0.862 18210 2803 1 19 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.618 -0.311 18210 2804 1 19 . 1 1 42 42 ALA C C 42 175.028 175.028 175.293 -0.265 18210 2805 1 19 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.029 0.515 18210 2806 1 19 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.520 0.713 18210 2807 1 19 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.800 -0.021 18210 2808 1 19 . 1 1 43 43 HIS C C 43 172.767 172.767 174.541 -1.774 18210 2809 1 19 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.612 -2.011 18210 2810 1 19 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.910 -2.611 18210 2811 1 19 . 1 1 43 43 HIS H H 43 8.722 8.722 8.682 0.040 18210 2812 1 19 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.166 -0.126 18210 2813 1 19 . 1 1 44 44 ALA C C 44 178.087 178.087 178.364 -0.277 18210 2814 1 19 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.360 -0.498 18210 2815 1 19 . 1 1 44 44 ALA CB C 44 19.024 19.024 19.155 -0.131 18210 2816 1 19 . 1 1 44 44 ALA H H 44 8.468 8.468 8.234 0.234 18210 2817 1 19 . 1 1 45 45 ASN N N 45 113.483 113.483 114.088 -0.605 18210 2818 1 19 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.883 -0.541 18210 2819 1 19 . 1 1 45 45 ASN C C 45 174.441 174.441 175.179 -0.738 18210 2820 1 19 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.631 1.697 18210 2821 1 19 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.686 -1.007 18210 2822 1 19 . 1 1 45 45 ASN H H 45 7.356 7.356 8.324 -0.968 18210 2823 1 19 . 1 1 46 46 ASP N N 46 120.941 120.941 120.739 0.202 18210 2824 1 19 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.787 -0.196 18210 2825 1 19 . 1 1 46 46 ASP C C 46 175.724 175.724 175.916 -0.192 18210 2826 1 19 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.467 1.702 18210 2827 1 19 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.514 0.005 18210 2828 1 19 . 1 1 46 46 ASP H H 46 7.959 7.959 8.040 -0.081 18210 2829 1 19 . 1 1 47 47 LEU N N 47 123.735 123.735 121.573 2.162 18210 2830 1 19 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.465 0.511 18210 2831 1 19 . 1 1 47 47 LEU C C 47 175.735 175.735 176.821 -1.086 18210 2832 1 19 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.842 -0.151 18210 2833 1 19 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.914 0.652 18210 2834 1 19 . 1 1 47 47 LEU H H 47 8.156 8.156 8.561 -0.405 18210 2835 1 19 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.711 0.560 18210 2836 1 19 . 1 1 48 48 ILE C C 48 175.979 175.979 175.496 0.483 18210 2837 1 19 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.954 -0.001 18210 2838 1 19 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.200 2.938 18210 2839 1 19 . 1 1 49 49 GLY N N 49 102.726 102.726 111.096 -8.370 18210 2840 1 19 . 1 1 49 49 GLY C C 49 169.506 169.506 171.790 -2.284 18210 2841 1 19 . 1 1 49 49 GLY CA C 49 48.190 48.190 45.961 2.229 18210 2842 1 19 . 1 1 49 49 GLY H H 49 7.900 7.900 8.529 -0.629 18210 2843 1 19 . 1 1 50 50 PHE N N 50 111.884 111.884 113.230 -1.346 18210 2844 1 19 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.472 0.441 18210 2845 1 19 . 1 1 50 50 PHE C C 50 171.823 171.823 171.906 -0.083 18210 2846 1 19 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.703 -0.976 18210 2847 1 19 . 1 1 50 50 PHE CB C 50 41.029 41.029 39.783 1.246 18210 2848 1 19 . 1 1 50 50 PHE H H 50 8.248 8.248 7.689 0.559 18210 2849 1 19 . 1 1 51 51 LYS N N 51 117.924 117.924 119.164 -1.240 18210 2850 1 19 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.327 0.057 18210 2851 1 19 . 1 1 51 51 LYS C C 51 176.140 176.140 174.503 1.637 18210 2852 1 19 . 1 1 51 51 LYS CA C 51 54.421 54.421 55.094 -0.673 18210 2853 1 19 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.331 0.589 18210 2854 1 19 . 1 1 51 51 LYS H H 51 7.857 7.857 7.996 -0.139 18210 2855 1 19 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.108 -0.087 18210 2856 1 19 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.829 -4.638 18210 2857 1 19 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.253 10.934 18210 2858 1 19 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.395 -0.018 18210 2859 1 19 . 1 1 53 53 PRO C C 53 177.624 177.624 177.464 0.160 18210 2860 1 19 . 1 1 53 53 PRO CA C 53 62.570 62.570 62.980 -0.410 18210 2861 1 19 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.406 -1.150 18210 2862 1 19 . 1 1 54 54 SER HA H 54 4.106 4.106 4.227 -0.121 18210 2863 1 19 . 1 1 54 54 SER C C 54 174.271 174.271 174.746 -0.475 18210 2864 1 19 . 1 1 54 54 SER CA C 54 61.221 61.221 60.449 0.772 18210 2865 1 19 . 1 1 54 54 SER CB C 54 63.243 63.243 63.017 0.226 18210 2866 1 19 . 1 1 55 55 ASN N N 55 115.116 115.116 116.985 -1.869 18210 2867 1 19 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.762 -0.089 18210 2868 1 19 . 1 1 55 55 ASN C C 55 174.556 174.556 174.661 -0.105 18210 2869 1 19 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.439 0.425 18210 2870 1 19 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.814 -1.890 18210 2871 1 19 . 1 1 55 55 ASN H H 55 8.712 8.712 8.367 0.345 18210 2872 1 19 . 1 1 56 56 TYR N N 56 120.489 120.489 119.778 0.711 18210 2873 1 19 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.652 0.040 18210 2874 1 19 . 1 1 56 56 TYR C C 56 176.019 176.019 175.078 0.941 18210 2875 1 19 . 1 1 56 56 TYR CA C 56 57.469 57.469 57.901 -0.432 18210 2876 1 19 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.672 -2.974 18210 2877 1 19 . 1 1 56 56 TYR H H 56 7.637 7.637 7.735 -0.098 18210 2878 1 19 . 1 1 57 57 SER N N 57 117.381 117.381 115.359 2.022 18210 2879 1 19 . 1 1 57 57 SER HA H 57 4.915 4.915 4.829 0.086 18210 2880 1 19 . 1 1 57 57 SER C C 57 173.649 173.649 174.135 -0.486 18210 2881 1 19 . 1 1 57 57 SER CA C 57 57.586 57.586 56.747 0.839 18210 2882 1 19 . 1 1 57 57 SER CB C 57 64.766 64.766 64.105 0.661 18210 2883 1 19 . 1 1 57 57 SER H H 57 9.323 9.323 8.325 0.998 18210 2884 1 19 . 1 1 58 58 VAL N N 58 125.696 125.696 121.804 3.892 18210 2885 1 19 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.532 0.280 18210 2886 1 19 . 1 1 58 58 VAL C C 58 174.911 174.911 175.262 -0.351 18210 2887 1 19 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.381 0.508 18210 2888 1 19 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.420 0.765 18210 2889 1 19 . 1 1 58 58 VAL H H 58 8.474 8.474 8.718 -0.244 18210 2890 1 19 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.870 -0.210 18210 2891 1 19 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.510 0.089 18210 2892 1 19 . 1 1 59 59 GLU CB C 59 32.910 32.910 32.425 0.485 18210 2893 1 19 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.738 -0.038 18210 2894 1 19 . 1 1 60 60 PRO C C 60 176.708 176.708 176.592 0.116 18210 2895 1 19 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.118 -0.388 18210 2896 1 19 . 1 1 60 60 PRO CB C 60 34.006 34.006 31.923 2.083 18210 2897 1 19 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.470 -0.107 18210 2898 1 19 . 1 1 61 61 HIS C C 61 174.320 174.320 174.710 -0.390 18210 2899 1 19 . 1 1 61 61 HIS CA C 61 58.473 58.473 58.109 0.364 18210 2900 1 19 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.199 -2.684 18210 2901 1 19 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.715 0.328 18210 2902 1 19 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.129 -1.791 18210 2903 1 19 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.497 -0.987 18210 2904 1 19 . 1 1 63 63 CYS N N 63 120.346 120.346 118.011 2.335 18210 2905 1 19 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.691 -0.468 18210 2906 1 19 . 1 1 63 63 CYS C C 63 171.976 171.976 175.492 -3.516 18210 2907 1 19 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.437 -0.932 18210 2908 1 19 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.834 13.247 18210 2909 1 19 . 1 1 63 63 CYS H H 63 6.446 6.446 8.247 -1.801 18210 2910 1 19 . 1 1 64 64 PHE N N 64 116.155 116.155 117.182 -1.027 18210 2911 1 19 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.499 -0.279 18210 2912 1 19 . 1 1 64 64 PHE C C 64 177.110 177.110 176.935 0.175 18210 2913 1 19 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.426 0.165 18210 2914 1 19 . 1 1 64 64 PHE CB C 64 41.149 41.149 38.003 3.146 18210 2915 1 19 . 1 1 64 64 PHE H H 64 7.697 7.697 7.553 0.144 18210 2916 1 19 . 1 1 65 65 VAL N N 65 119.794 119.794 118.823 0.971 18210 2917 1 19 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.732 0.233 18210 2918 1 19 . 1 1 65 65 VAL C C 65 176.948 176.948 176.161 0.787 18210 2919 1 19 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.571 1.392 18210 2920 1 19 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.750 -0.666 18210 2921 1 19 . 1 1 65 65 VAL H H 65 8.449 8.449 7.380 1.069 18210 2922 1 19 . 1 1 66 66 SER N N 66 113.648 113.648 112.504 1.144 18210 2923 1 19 . 1 1 66 66 SER HA H 66 5.041 5.041 4.503 0.538 18210 2924 1 19 . 1 1 66 66 SER C C 66 173.905 173.905 172.494 1.411 18210 2925 1 19 . 1 1 66 66 SER CA C 66 56.701 56.701 56.564 0.137 18210 2926 1 19 . 1 1 66 66 SER CB C 66 65.738 65.738 63.779 1.959 18210 2927 1 19 . 1 1 66 66 SER H H 66 7.706 7.706 7.666 0.040 18210 2928 1 19 . 1 1 67 67 ALA N N 67 115.370 115.370 126.429 -11.059 18210 2929 1 19 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.268 -0.224 18210 2930 1 19 . 1 1 67 67 ALA C C 67 175.316 175.316 174.553 0.763 18210 2931 1 19 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.663 0.459 18210 2932 1 19 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.535 3.292 18210 2933 1 19 . 1 1 67 67 ALA H H 67 9.280 9.280 7.563 1.717 18210 2934 1 19 . 1 1 68 68 PHE N N 68 116.820 116.820 117.547 -0.727 18210 2935 1 19 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.149 -0.150 18210 2936 1 19 . 1 1 68 68 PHE C C 68 176.533 176.533 176.499 0.034 18210 2937 1 19 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.928 0.610 18210 2938 1 19 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.487 -0.523 18210 2939 1 19 . 1 1 68 68 PHE H H 68 8.520 8.520 8.547 -0.027 18210 2940 1 19 . 1 1 69 69 ASN N N 69 118.203 118.203 121.079 -2.876 18210 2941 1 19 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.770 0.272 18210 2942 1 19 . 1 1 69 69 ASN C C 69 176.820 176.820 177.416 -0.596 18210 2943 1 19 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.571 -1.535 18210 2944 1 19 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.299 0.195 18210 2945 1 19 . 1 1 69 69 ASN H H 69 8.498 8.498 8.739 -0.241 18210 2946 1 19 . 1 1 70 70 LEU N N 70 118.189 118.189 120.178 -1.989 18210 2947 1 19 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.376 -0.097 18210 2948 1 19 . 1 1 70 70 LEU C C 70 178.484 178.484 177.690 0.794 18210 2949 1 19 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.761 0.003 18210 2950 1 19 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.587 0.051 18210 2951 1 19 . 1 1 70 70 LEU H H 70 8.514 8.514 8.869 -0.355 18210 2952 1 19 . 1 1 71 71 SER N N 71 113.939 113.939 112.601 1.338 18210 2953 1 19 . 1 1 71 71 SER HA H 71 4.572 4.572 4.445 0.127 18210 2954 1 19 . 1 1 71 71 SER C C 71 174.682 174.682 175.606 -0.924 18210 2955 1 19 . 1 1 71 71 SER CA C 71 58.758 58.758 58.663 0.095 18210 2956 1 19 . 1 1 71 71 SER CB C 71 63.762 63.762 63.399 0.363 18210 2957 1 19 . 1 1 71 71 SER H H 71 8.049 8.049 7.859 0.190 18210 2958 1 19 . 1 1 72 72 GLY N N 72 109.936 109.936 111.302 -1.366 18210 2959 1 19 . 1 1 72 72 GLY C C 72 173.549 173.549 173.617 -0.068 18210 2960 1 19 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.340 0.298 18210 2961 1 19 . 1 1 72 72 GLY H H 72 8.641 8.641 8.234 0.407 18210 2962 1 19 . 1 1 73 73 LYS N N 73 119.884 119.884 120.564 -0.680 18210 2963 1 19 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.512 0.041 18210 2964 1 19 . 1 1 73 73 LYS C C 73 175.750 175.750 175.370 0.380 18210 2965 1 19 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.967 -0.309 18210 2966 1 19 . 1 1 73 73 LYS CB C 73 33.741 33.741 34.178 -0.437 18210 2967 1 19 . 1 1 73 73 LYS H H 73 7.738 7.738 7.528 0.210 18210 2968 1 19 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.712 -0.192 18210 2969 1 19 . 1 1 74 74 ASN C C 74 174.680 174.680 174.921 -0.241 18210 2970 1 19 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.658 0.574 18210 2971 1 19 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.861 0.466 18210 2972 1 19 . 1 1 75 75 GLU N N 75 124.834 124.834 126.319 -1.485 18210 2973 1 19 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.455 0.143 18210 2974 1 19 . 1 1 75 75 GLU C C 75 174.547 174.547 174.992 -0.445 18210 2975 1 19 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.128 -0.241 18210 2976 1 19 . 1 1 75 75 GLU CB C 75 32.908 32.908 32.237 0.671 18210 2977 1 19 . 1 1 75 75 GLU H H 75 8.835 8.835 8.591 0.244 18210 2978 1 19 . 1 1 76 76 ASN N N 76 121.549 121.549 123.756 -2.207 18210 2979 1 19 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.880 -0.205 18210 2980 1 19 . 1 1 76 76 ASN C C 76 175.670 175.670 175.590 0.080 18210 2981 1 19 . 1 1 76 76 ASN CA C 76 54.120 54.120 54.023 0.097 18210 2982 1 19 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.750 0.292 18210 2983 1 19 . 1 1 76 76 ASN H H 76 8.580 8.580 8.752 -0.172 18210 2984 1 19 . 1 1 77 77 LEU N N 77 125.808 125.808 124.033 1.775 18210 2985 1 19 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.538 -0.431 18210 2986 1 19 . 1 1 77 77 LEU C C 77 178.104 178.104 176.831 1.273 18210 2987 1 19 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.471 1.520 18210 2988 1 19 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.570 -0.186 18210 2989 1 19 . 1 1 77 77 LEU H H 77 8.610 8.610 8.462 0.148 18210 2990 1 19 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.339 -0.323 18210 2991 1 19 . 1 1 78 78 GLU C C 78 176.833 176.833 177.276 -0.443 18210 2992 1 19 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.322 1.328 18210 2993 1 19 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.565 1.119 18210 2994 1 19 . 1 1 79 79 ASN N N 79 114.719 114.719 116.420 -1.701 18210 2995 1 19 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.480 0.084 18210 2996 1 19 . 1 1 79 79 ASN C C 79 175.510 175.510 175.938 -0.428 18210 2997 1 19 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.105 -0.713 18210 2998 1 19 . 1 1 79 79 ASN CB C 79 38.718 38.718 38.107 0.611 18210 2999 1 19 . 1 1 79 79 ASN H H 79 8.257 8.257 8.573 -0.316 18210 3000 1 19 . 1 1 80 80 LYS N N 80 118.906 118.906 118.648 0.258 18210 3001 1 19 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.252 0.041 18210 3002 1 19 . 1 1 80 80 LYS C C 80 175.748 175.748 176.121 -0.373 18210 3003 1 19 . 1 1 80 80 LYS CA C 80 57.765 57.765 56.806 0.959 18210 3004 1 19 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.902 0.443 18210 3005 1 19 . 1 1 80 80 LYS H H 80 7.818 7.818 7.247 0.571 18210 3006 1 19 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.381 -0.231 18210 3007 1 19 . 1 1 81 81 LEU C C 81 174.688 174.688 174.383 0.305 18210 3008 1 19 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.550 0.972 18210 3009 1 19 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.760 -1.697 18210 3010 1 19 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.261 -0.092 18210 3011 1 19 . 1 1 82 82 LYS C C 82 175.701 175.701 175.540 0.161 18210 3012 1 19 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.756 0.412 18210 3013 1 19 . 1 1 82 82 LYS CB C 82 30.017 30.017 30.609 -0.592 18210 3014 1 19 . 1 1 83 83 LEU N N 83 120.762 120.762 125.693 -4.931 18210 3015 1 19 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.327 0.093 18210 3016 1 19 . 1 1 83 83 LEU C C 83 177.184 177.184 177.616 -0.432 18210 3017 1 19 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.938 0.282 18210 3018 1 19 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.790 -0.479 18210 3019 1 19 . 1 1 83 83 LEU H H 83 7.485 7.485 7.742 -0.257 18210 3020 1 19 . 1 1 84 84 THR N N 84 110.955 110.955 114.815 -3.860 18210 3021 1 19 . 1 1 84 84 THR HA H 84 4.712 4.712 4.532 0.180 18210 3022 1 19 . 1 1 84 84 THR C C 84 173.001 173.001 173.946 -0.945 18210 3023 1 19 . 1 1 84 84 THR CA C 84 59.883 59.883 60.997 -1.114 18210 3024 1 19 . 1 1 84 84 THR CB C 84 71.825 71.825 72.083 -0.258 18210 3025 1 19 . 1 1 84 84 THR H H 84 8.519 8.519 8.522 -0.003 18210 3026 1 19 . 1 1 85 85 ASN N N 85 117.589 117.589 117.580 0.009 18210 3027 1 19 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.417 -0.271 18210 3028 1 19 . 1 1 85 85 ASN C C 85 173.572 173.572 174.446 -0.874 18210 3029 1 19 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.849 0.470 18210 3030 1 19 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.196 1.712 18210 3031 1 19 . 1 1 85 85 ASN H H 85 8.850 8.850 8.753 0.097 18210 3032 1 19 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.209 0.083 18210 3033 1 19 . 1 1 86 86 ILE C C 86 177.346 177.346 176.303 1.043 18210 3034 1 19 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.462 1.345 18210 3035 1 19 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.873 -0.174 18210 3036 1 19 . 1 1 87 87 ILE N N 87 131.807 131.807 128.831 2.976 18210 3037 1 19 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.529 -0.274 18210 3038 1 19 . 1 1 87 87 ILE C C 87 174.493 174.493 174.497 -0.004 18210 3039 1 19 . 1 1 87 87 ILE CA C 87 60.152 60.152 59.996 0.156 18210 3040 1 19 . 1 1 87 87 ILE CB C 87 41.110 41.110 38.385 2.725 18210 3041 1 19 . 1 1 87 87 ILE H H 87 9.166 9.166 8.389 0.777 18210 3042 1 19 . 1 1 88 88 MET HA H 88 4.017 4.017 4.686 -0.669 18210 3043 1 19 . 1 1 88 88 MET C C 88 173.613 173.613 174.773 -1.160 18210 3044 1 19 . 1 1 88 88 MET CA C 88 53.287 53.287 54.781 -1.494 18210 3045 1 19 . 1 1 88 88 MET CB C 88 33.478 33.478 34.746 -1.268 18210 3046 1 19 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.941 -0.244 18210 3047 1 19 . 1 1 89 89 ASP C C 89 176.750 176.750 175.933 0.817 18210 3048 1 19 . 1 1 89 89 ASP CA C 89 52.101 52.101 53.358 -1.257 18210 3049 1 19 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.293 -1.102 18210 3050 1 19 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.311 0.130 18210 3051 1 19 . 1 1 90 90 HIS C C 90 175.625 175.625 175.952 -0.327 18210 3052 1 19 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.017 0.236 18210 3053 1 19 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.341 -1.762 18210 3054 1 19 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.248 0.192 18210 3055 1 19 . 1 1 91 91 TYR C C 91 177.915 177.915 176.014 1.901 18210 3056 1 19 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.273 -0.513 18210 3057 1 19 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.621 -0.554 18210 3058 1 19 . 1 1 92 92 ASN N N 92 113.661 113.661 113.730 -0.069 18210 3059 1 19 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.528 0.245 18210 3060 1 19 . 1 1 92 92 ASN C C 92 174.762 174.762 174.820 -0.058 18210 3061 1 19 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.886 -0.271 18210 3062 1 19 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.224 1.058 18210 3063 1 19 . 1 1 92 92 ASN H H 92 7.713 7.713 8.414 -0.701 18210 3064 1 19 . 1 1 93 93 ASN N N 93 125.176 125.176 114.508 10.668 18210 3065 1 19 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.385 0.324 18210 3066 1 19 . 1 1 93 93 ASN C C 93 172.729 172.729 173.299 -0.570 18210 3067 1 19 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.441 -1.706 18210 3068 1 19 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.765 1.196 18210 3069 1 19 . 1 1 93 93 ASN H H 93 7.804 7.804 7.951 -0.147 18210 3070 1 19 . 1 1 94 94 THR N N 94 109.900 109.900 112.241 -2.341 18210 3071 1 19 . 1 1 94 94 THR HA H 94 4.852 4.852 5.031 -0.179 18210 3072 1 19 . 1 1 94 94 THR C C 94 170.824 170.824 171.913 -1.089 18210 3073 1 19 . 1 1 94 94 THR CA C 94 61.817 61.817 60.439 1.378 18210 3074 1 19 . 1 1 94 94 THR CB C 94 71.074 71.074 71.423 -0.349 18210 3075 1 19 . 1 1 94 94 THR H H 94 7.654 7.654 7.429 0.225 18210 3076 1 19 . 1 1 95 95 PHE N N 95 126.721 126.721 124.839 1.882 18210 3077 1 19 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.376 -0.268 18210 3078 1 19 . 1 1 95 95 PHE C C 95 174.143 174.143 174.098 0.045 18210 3079 1 19 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.723 -0.154 18210 3080 1 19 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.895 -0.102 18210 3081 1 19 . 1 1 95 95 PHE H H 95 8.166 8.166 7.549 0.617 18210 3082 1 19 . 1 1 96 96 TYR N N 96 115.709 115.709 119.951 -4.242 18210 3083 1 19 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.557 0.510 18210 3084 1 19 . 1 1 96 96 TYR C C 96 175.734 175.734 175.235 0.499 18210 3085 1 19 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.612 -0.180 18210 3086 1 19 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.964 1.203 18210 3087 1 19 . 1 1 96 96 TYR H H 96 9.149 9.149 8.806 0.343 18210 3088 1 19 . 1 1 97 97 SER N N 97 109.503 109.503 114.795 -5.292 18210 3089 1 19 . 1 1 97 97 SER HA H 97 4.430 4.430 4.905 -0.475 18210 3090 1 19 . 1 1 97 97 SER C C 97 170.684 170.684 173.002 -2.318 18210 3091 1 19 . 1 1 97 97 SER CA C 97 59.324 59.324 57.725 1.599 18210 3092 1 19 . 1 1 97 97 SER CB C 97 66.341 66.341 66.553 -0.212 18210 3093 1 19 . 1 1 97 97 SER H H 97 8.921 8.921 9.283 -0.362 18210 3094 1 19 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.715 0.679 18210 3095 1 19 . 1 1 98 98 ARG C C 98 175.850 175.850 174.881 0.969 18210 3096 1 19 . 1 1 98 98 ARG CA C 98 54.176 54.176 55.118 -0.942 18210 3097 1 19 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.116 1.011 18210 3098 1 19 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.664 -0.334 18210 3099 1 19 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.235 1.571 18210 3100 1 19 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.011 -1.107 18210 3101 1 19 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.412 0.264 18210 3102 1 19 . 1 1 100 100 PRO C C 100 175.744 175.744 176.835 -1.091 18210 3103 1 19 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.007 -0.718 18210 3104 1 19 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.698 0.088 18210 3105 1 19 . 1 1 101 101 SER HA H 101 4.126 4.126 4.302 -0.176 18210 3106 1 19 . 1 1 101 101 SER C C 101 173.214 173.214 174.462 -1.248 18210 3107 1 19 . 1 1 101 101 SER CA C 101 60.265 60.265 60.236 0.029 18210 3108 1 19 . 1 1 101 101 SER CB C 101 63.660 63.660 63.704 -0.044 18210 3109 1 19 . 1 1 102 102 LEU N N 102 121.389 121.389 121.662 -0.273 18210 3110 1 19 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.604 -0.072 18210 3111 1 19 . 1 1 102 102 LEU C C 102 175.187 175.187 175.097 0.090 18210 3112 1 19 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.999 -0.313 18210 3113 1 19 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.455 -0.075 18210 3114 1 19 . 1 1 102 102 LEU H H 102 7.179 7.179 7.444 -0.265 18210 3115 1 19 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.449 -0.006 18210 3116 1 19 . 1 1 103 103 ILE C C 103 175.490 175.490 175.956 -0.466 18210 3117 1 19 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.472 -1.563 18210 3118 1 19 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.366 0.312 18210 3119 1 19 . 1 1 104 104 SER N N 104 120.807 120.807 120.365 0.442 18210 3120 1 19 . 1 1 104 104 SER HA H 104 4.581 4.581 4.601 -0.020 18210 3121 1 19 . 1 1 104 104 SER C C 104 173.234 173.234 174.133 -0.899 18210 3122 1 19 . 1 1 104 104 SER CA C 104 58.166 58.166 58.396 -0.230 18210 3123 1 19 . 1 1 104 104 SER CB C 104 64.341 64.341 63.750 0.591 18210 3124 1 19 . 1 1 104 104 SER H H 104 8.471 8.471 8.485 -0.014 18210 3125 1 19 . 1 1 105 105 ASP N N 105 119.103 119.103 121.997 -2.894 18210 3126 1 19 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.818 -0.169 18210 3127 1 19 . 1 1 105 105 ASP C C 105 174.991 174.991 175.868 -0.877 18210 3128 1 19 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.211 -0.477 18210 3129 1 19 . 1 1 105 105 ASP CB C 105 42.477 42.477 41.774 0.703 18210 3130 1 19 . 1 1 105 105 ASP H H 105 8.060 8.060 7.975 0.085 18210 3131 1 19 . 1 1 106 106 ASN N N 106 116.036 116.036 118.891 -2.855 18210 3132 1 19 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.929 -0.194 18210 3133 1 19 . 1 1 106 106 ASN C C 106 174.308 174.308 175.397 -1.089 18210 3134 1 19 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.587 1.193 18210 3135 1 19 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.672 0.350 18210 3136 1 19 . 1 1 106 106 ASN H H 106 8.389 8.389 8.601 -0.211 18210 3137 1 19 . 1 1 107 107 TRP N N 107 119.645 119.645 121.353 -1.708 18210 3138 1 19 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.793 0.036 18210 3139 1 19 . 1 1 107 107 TRP C C 107 174.949 174.949 175.442 -0.493 18210 3140 1 19 . 1 1 107 107 TRP CA C 107 56.192 56.192 57.005 -0.813 18210 3141 1 19 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.488 2.724 18210 3142 1 19 . 1 1 107 107 TRP H H 107 7.846 7.846 8.287 -0.441 18210 3143 1 19 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.855 0.607 18210 3144 1 19 . 1 1 108 108 LYS C C 108 174.986 174.986 175.444 -0.458 18210 3145 1 19 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.253 0.943 18210 3146 1 19 . 1 1 108 108 LYS CB C 108 36.215 36.215 35.747 0.468 18210 3147 1 19 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.258 0.287 18210 3148 1 19 . 1 1 109 109 PHE C C 109 172.950 172.950 172.608 0.342 18210 3149 1 19 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.613 -0.193 18210 3150 1 19 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.434 -0.543 18210 3151 1 19 . 1 1 110 110 PHE N N 110 115.390 115.390 114.943 0.447 18210 3152 1 19 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.168 0.864 18210 3153 1 19 . 1 1 110 110 PHE C C 110 173.892 173.892 173.725 0.167 18210 3154 1 19 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.374 0.858 18210 3155 1 19 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.928 2.438 18210 3156 1 19 . 1 1 110 110 PHE H H 110 9.267 9.267 7.588 1.679 18210 3157 1 19 . 1 1 111 111 CYS N N 111 116.463 116.463 117.701 -1.238 18210 3158 1 19 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.998 0.063 18210 3159 1 19 . 1 1 111 111 CYS C C 111 171.900 171.900 173.156 -1.256 18210 3160 1 19 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.518 -3.666 18210 3161 1 19 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.282 16.549 18210 3162 1 19 . 1 1 111 111 CYS H H 111 9.274 9.274 8.774 0.500 18210 3163 1 19 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.164 0.038 18210 3164 1 19 . 1 1 112 112 VAL C C 112 175.041 175.041 174.433 0.608 18210 3165 1 19 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.379 0.064 18210 3166 1 19 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.162 0.415 18210 3167 1 19 . 1 1 112 112 VAL H H 112 9.605 9.605 8.349 1.256 18210 3168 1 19 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.588 0.172 18210 3169 1 19 . 1 1 113 113 CYS C C 113 173.601 173.601 174.027 -0.426 18210 3170 1 19 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.394 -4.573 18210 3171 1 19 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.738 14.208 18210 3172 1 19 . 1 1 114 114 SER N N 114 117.968 117.968 118.258 -0.290 18210 3173 1 19 . 1 1 114 114 SER HA H 114 5.093 5.093 5.045 0.048 18210 3174 1 19 . 1 1 114 114 SER C C 114 172.267 172.267 172.695 -0.428 18210 3175 1 19 . 1 1 114 114 SER CA C 114 56.677 56.677 58.077 -1.400 18210 3176 1 19 . 1 1 114 114 SER CB C 114 66.795 66.795 65.646 1.149 18210 3177 1 19 . 1 1 114 114 SER H H 114 9.250 9.250 9.244 0.006 18210 3178 1 19 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.497 -0.391 18210 3179 1 19 . 1 1 115 115 LYS C C 115 174.527 174.527 174.318 0.209 18210 3180 1 19 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.133 0.789 18210 3181 1 19 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.523 -2.514 18210 3182 1 19 . 1 1 115 115 LYS H H 115 8.705 8.705 8.502 0.203 18210 3183 1 19 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.449 -0.258 18210 3184 1 19 . 1 1 116 116 ASP C C 116 176.002 176.002 176.227 -0.225 18210 3185 1 19 . 1 1 116 116 ASP CA C 116 56.314 56.314 54.690 1.624 18210 3186 1 19 . 1 1 116 116 ASP CB C 116 40.447 40.447 41.059 -0.612 18210 3187 1 19 . 1 1 117 117 ASN N N 117 116.913 116.913 117.586 -0.673 18210 3188 1 19 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.291 0.148 18210 3189 1 19 . 1 1 117 117 ASN C C 117 174.246 174.246 173.553 0.693 18210 3190 1 19 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.096 0.337 18210 3191 1 19 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.280 -0.098 18210 3192 1 19 . 1 1 117 117 ASN H H 117 8.752 8.752 8.673 0.079 18210 3193 1 19 . 1 1 118 118 GLU N N 118 116.615 116.615 117.671 -1.056 18210 3194 1 19 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.437 0.323 18210 3195 1 19 . 1 1 118 118 GLU C C 118 177.397 177.397 175.614 1.783 18210 3196 1 19 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.283 -0.974 18210 3197 1 19 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.261 -2.170 18210 3198 1 19 . 1 1 118 118 GLU H H 118 7.819 7.819 8.187 -0.368 18210 3199 1 19 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.130 0.035 18210 3200 1 19 . 1 1 119 119 LYS C C 119 177.626 177.626 176.489 1.137 18210 3201 1 19 . 1 1 119 119 LYS CA C 119 57.540 57.540 57.279 0.261 18210 3202 1 19 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.761 0.084 18210 3203 1 19 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.651 -0.346 18210 3204 1 19 . 1 1 120 120 LYS C C 120 174.312 174.312 175.628 -1.316 18210 3205 1 19 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.220 1.886 18210 3206 1 19 . 1 1 120 120 LYS CB C 120 33.188 33.188 34.379 -1.191 18210 3207 1 19 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.352 0.207 18210 3208 1 19 . 1 1 121 121 LEU C C 121 174.893 174.893 175.018 -0.125 18210 3209 1 19 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.541 -0.937 18210 3210 1 19 . 1 1 121 121 LEU CB C 121 39.606 39.606 43.094 -3.489 18210 3211 1 19 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.605 -0.244 18210 3212 1 19 . 1 1 122 122 VAL C C 122 173.909 173.909 174.343 -0.434 18210 3213 1 19 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.145 0.883 18210 3214 1 19 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.973 -0.379 18210 3215 1 19 . 1 1 123 123 PHE HA H 123 5.175 5.175 5.148 0.027 18210 3216 1 19 . 1 1 123 123 PHE C C 123 173.230 173.230 173.280 -0.050 18210 3217 1 19 . 1 1 123 123 PHE CA C 123 56.314 56.314 55.751 0.563 18210 3218 1 19 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.233 -0.401 18210 3219 1 19 . 1 1 124 124 THR N N 124 121.688 121.688 123.284 -1.596 18210 3220 1 19 . 1 1 124 124 THR HA H 124 4.885 4.885 4.647 0.238 18210 3221 1 19 . 1 1 124 124 THR C C 124 170.874 170.874 172.218 -1.344 18210 3222 1 19 . 1 1 124 124 THR CA C 124 60.087 60.087 59.885 0.202 18210 3223 1 19 . 1 1 124 124 THR CB C 124 70.942 70.942 71.140 -0.198 18210 3224 1 19 . 1 1 124 124 THR H H 124 8.493 8.493 8.060 0.433 18210 3225 1 19 . 1 1 125 125 VAL N N 125 125.781 125.781 120.223 5.558 18210 3226 1 19 . 1 1 125 125 VAL HA H 125 4.516 4.516 4.938 -0.422 18210 3227 1 19 . 1 1 125 125 VAL C C 125 173.796 173.796 172.760 1.036 18210 3228 1 19 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.712 1.080 18210 3229 1 19 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.538 -2.304 18210 3230 1 19 . 1 1 125 125 VAL H H 125 8.275 8.275 7.766 0.509 18210 3231 1 19 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.588 0.301 18210 3232 1 19 . 1 1 126 126 GLU C C 126 173.519 173.519 174.446 -0.927 18210 3233 1 19 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.088 -0.122 18210 3234 1 19 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.586 -0.623 18210 3235 1 19 . 1 1 126 126 GLU H H 126 8.262 8.262 7.878 0.384 18210 3236 1 20 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.297 -0.128 18210 3237 1 20 . 1 1 2 2 LYS C C 2 176.160 176.160 176.054 0.106 18210 3238 1 20 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.618 0.347 18210 3239 1 20 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.490 -0.226 18210 3240 1 20 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.124 -0.211 18210 3241 1 20 . 1 1 3 3 VAL C C 3 175.820 175.820 175.997 -0.177 18210 3242 1 20 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.564 0.924 18210 3243 1 20 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.286 0.494 18210 3244 1 20 . 1 1 4 4 LYS N N 4 129.029 129.029 127.570 1.459 18210 3245 1 20 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.519 -0.012 18210 3246 1 20 . 1 1 4 4 LYS C C 4 174.923 174.923 176.195 -1.272 18210 3247 1 20 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.362 0.941 18210 3248 1 20 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.438 -0.187 18210 3249 1 20 . 1 1 4 4 LYS H H 4 8.507 8.507 8.381 0.126 18210 3250 1 20 . 1 1 5 5 GLY N N 5 110.242 110.242 109.937 0.305 18210 3251 1 20 . 1 1 5 5 GLY C C 5 173.333 173.333 172.106 1.227 18210 3252 1 20 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.561 0.703 18210 3253 1 20 . 1 1 5 5 GLY H H 5 8.138 8.138 8.321 -0.183 18210 3254 1 20 . 1 1 6 6 CYS N N 6 114.306 114.306 121.090 -6.784 18210 3255 1 20 . 1 1 6 6 CYS HA H 6 5.251 5.251 4.952 0.299 18210 3256 1 20 . 1 1 6 6 CYS C C 6 170.891 170.891 172.826 -1.935 18210 3257 1 20 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.933 -3.083 18210 3258 1 20 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.917 21.233 18210 3259 1 20 . 1 1 6 6 CYS H H 6 6.750 6.750 8.398 -1.648 18210 3260 1 20 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.098 -0.350 18210 3261 1 20 . 1 1 7 7 ASP C C 7 175.607 175.607 175.474 0.133 18210 3262 1 20 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.512 -0.274 18210 3263 1 20 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.328 -0.711 18210 3264 1 20 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.590 0.287 18210 3265 1 20 . 1 1 8 8 PHE C C 8 173.972 173.972 175.757 -1.785 18210 3266 1 20 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.621 0.834 18210 3267 1 20 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.668 0.551 18210 3268 1 20 . 1 1 9 9 THR N N 9 105.421 105.421 113.083 -7.662 18210 3269 1 20 . 1 1 9 9 THR HA H 9 4.611 4.611 4.442 0.169 18210 3270 1 20 . 1 1 9 9 THR C C 9 174.505 174.505 174.838 -0.333 18210 3271 1 20 . 1 1 9 9 THR CA C 9 61.988 61.988 63.473 -1.485 18210 3272 1 20 . 1 1 9 9 THR CB C 9 70.385 70.385 70.138 0.248 18210 3273 1 20 . 1 1 9 9 THR H H 9 8.996 8.996 8.590 0.406 18210 3274 1 20 . 1 1 10 10 THR N N 10 118.757 118.757 115.731 3.026 18210 3275 1 20 . 1 1 10 10 THR HA H 10 4.526 4.526 4.558 -0.032 18210 3276 1 20 . 1 1 10 10 THR C C 10 171.202 171.202 173.734 -2.532 18210 3277 1 20 . 1 1 10 10 THR CA C 10 60.774 60.774 61.124 -0.350 18210 3278 1 20 . 1 1 10 10 THR CB C 10 68.040 68.040 71.623 -3.583 18210 3279 1 20 . 1 1 10 10 THR H H 10 7.199 7.199 7.492 -0.293 18210 3280 1 20 . 1 1 11 11 SER N N 11 117.117 117.117 117.671 -0.554 18210 3281 1 20 . 1 1 11 11 SER HA H 11 3.907 3.907 4.254 -0.347 18210 3282 1 20 . 1 1 11 11 SER C C 11 174.988 174.988 174.984 0.004 18210 3283 1 20 . 1 1 11 11 SER CA C 11 59.563 59.563 60.437 -0.874 18210 3284 1 20 . 1 1 11 11 SER CB C 11 63.599 63.599 63.442 0.157 18210 3285 1 20 . 1 1 11 11 SER H H 11 7.997 7.997 8.790 -0.793 18210 3286 1 20 . 1 1 12 12 GLU N N 12 125.013 125.013 119.831 5.182 18210 3287 1 20 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.453 0.112 18210 3288 1 20 . 1 1 12 12 GLU C C 12 175.108 175.108 175.229 -0.121 18210 3289 1 20 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.394 -1.135 18210 3290 1 20 . 1 1 12 12 GLU CB C 12 28.928 28.928 29.104 -0.176 18210 3291 1 20 . 1 1 12 12 GLU H H 12 8.375 8.375 8.355 0.020 18210 3292 1 20 . 1 1 13 13 SER N N 13 114.959 114.959 117.490 -2.531 18210 3293 1 20 . 1 1 13 13 SER HA H 13 4.130 4.130 4.418 -0.288 18210 3294 1 20 . 1 1 13 13 SER C C 13 176.833 176.833 174.876 1.957 18210 3295 1 20 . 1 1 13 13 SER CA C 13 58.707 58.707 59.008 -0.301 18210 3296 1 20 . 1 1 13 13 SER CB C 13 63.598 63.598 64.076 -0.478 18210 3297 1 20 . 1 1 13 13 SER H H 13 7.879 7.879 8.299 -0.420 18210 3298 1 20 . 1 1 14 14 THR N N 14 117.688 117.688 118.272 -0.584 18210 3299 1 20 . 1 1 14 14 THR HA H 14 4.348 4.348 4.518 -0.170 18210 3300 1 20 . 1 1 14 14 THR C C 14 174.550 174.550 175.052 -0.502 18210 3301 1 20 . 1 1 14 14 THR CA C 14 62.435 62.435 62.044 0.391 18210 3302 1 20 . 1 1 14 14 THR CB C 14 69.114 69.114 68.665 0.449 18210 3303 1 20 . 1 1 14 14 THR H H 14 8.978 8.978 8.765 0.213 18210 3304 1 20 . 1 1 15 15 ILE N N 15 118.851 118.851 114.279 4.572 18210 3305 1 20 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.362 -0.324 18210 3306 1 20 . 1 1 15 15 ILE C C 15 175.389 175.389 173.583 1.806 18210 3307 1 20 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.744 1.956 18210 3308 1 20 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.639 1.808 18210 3309 1 20 . 1 1 15 15 ILE H H 15 7.947 7.947 7.531 0.416 18210 3310 1 20 . 1 1 16 16 PHE N N 16 116.409 116.409 119.658 -3.249 18210 3311 1 20 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.456 0.062 18210 3312 1 20 . 1 1 16 16 PHE C C 16 176.700 176.700 175.553 1.147 18210 3313 1 20 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.583 0.879 18210 3314 1 20 . 1 1 16 16 PHE CB C 16 42.712 42.712 42.224 0.488 18210 3315 1 20 . 1 1 16 16 PHE H H 16 7.792 7.792 7.743 0.049 18210 3316 1 20 . 1 1 17 17 SER N N 17 114.126 114.126 116.398 -2.272 18210 3317 1 20 . 1 1 17 17 SER HA H 17 3.984 3.984 4.300 -0.316 18210 3318 1 20 . 1 1 17 17 SER C C 17 174.203 174.203 174.465 -0.262 18210 3319 1 20 . 1 1 17 17 SER CA C 17 61.176 61.176 60.653 0.523 18210 3320 1 20 . 1 1 17 17 SER CB C 17 63.438 63.438 63.550 -0.112 18210 3321 1 20 . 1 1 17 17 SER H H 17 8.666 8.666 8.556 0.110 18210 3322 1 20 . 1 1 18 18 LYS N N 18 122.828 122.828 118.837 3.991 18210 3323 1 20 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.546 0.212 18210 3324 1 20 . 1 1 18 18 LYS C C 18 174.029 174.029 175.003 -0.974 18210 3325 1 20 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.007 0.654 18210 3326 1 20 . 1 1 18 18 LYS CB C 18 35.049 35.049 35.642 -0.594 18210 3327 1 20 . 1 1 18 18 LYS H H 18 8.031 8.031 7.507 0.524 18210 3328 1 20 . 1 1 19 19 GLY N N 19 112.051 112.051 108.763 3.288 18210 3329 1 20 . 1 1 19 19 GLY C C 19 172.307 172.307 172.368 -0.061 18210 3330 1 20 . 1 1 19 19 GLY CA C 19 44.946 44.946 45.352 -0.406 18210 3331 1 20 . 1 1 19 19 GLY H H 19 8.092 8.092 8.093 -0.001 18210 3332 1 20 . 1 1 20 20 TYR N N 20 120.060 120.060 119.140 0.920 18210 3333 1 20 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.747 -0.177 18210 3334 1 20 . 1 1 20 20 TYR C C 20 173.557 173.557 174.203 -0.646 18210 3335 1 20 . 1 1 20 20 TYR CA C 20 57.512 57.512 56.952 0.560 18210 3336 1 20 . 1 1 20 20 TYR CB C 20 43.091 43.091 43.497 -0.406 18210 3337 1 20 . 1 1 20 20 TYR H H 20 7.968 7.968 8.963 -0.995 18210 3338 1 20 . 1 1 21 21 SER N N 21 115.201 115.201 116.218 -1.017 18210 3339 1 20 . 1 1 21 21 SER HA H 21 4.562 4.562 4.800 -0.238 18210 3340 1 20 . 1 1 21 21 SER C C 21 176.172 176.172 176.124 0.048 18210 3341 1 20 . 1 1 21 21 SER CA C 21 56.537 56.537 56.569 -0.032 18210 3342 1 20 . 1 1 21 21 SER CB C 21 65.257 65.257 64.455 0.802 18210 3343 1 20 . 1 1 21 21 SER H H 21 8.761 8.761 8.599 0.162 18210 3344 1 20 . 1 1 22 22 ILE N N 22 122.867 122.867 121.406 1.461 18210 3345 1 20 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.872 0.287 18210 3346 1 20 . 1 1 22 22 ILE C C 22 177.561 177.561 177.214 0.347 18210 3347 1 20 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.748 -1.035 18210 3348 1 20 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.731 0.124 18210 3349 1 20 . 1 1 22 22 ILE H H 22 8.646 8.646 8.706 -0.060 18210 3350 1 20 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.402 0.143 18210 3351 1 20 . 1 1 23 23 ASN C C 23 176.647 176.647 177.225 -0.578 18210 3352 1 20 . 1 1 23 23 ASN CA C 23 55.506 55.506 56.373 -0.868 18210 3353 1 20 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.367 0.086 18210 3354 1 20 . 1 1 24 24 GLU N N 24 118.601 118.601 118.547 0.054 18210 3355 1 20 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.189 0.097 18210 3356 1 20 . 1 1 24 24 GLU C C 24 177.998 177.998 178.970 -0.972 18210 3357 1 20 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.115 -0.809 18210 3358 1 20 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.797 0.861 18210 3359 1 20 . 1 1 24 24 GLU H H 24 7.837 7.837 7.634 0.203 18210 3360 1 20 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.200 -0.027 18210 3361 1 20 . 1 1 25 25 ILE C C 25 176.641 176.641 176.652 -0.011 18210 3362 1 20 . 1 1 25 25 ILE CA C 25 62.612 62.612 62.081 0.531 18210 3363 1 20 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.065 0.295 18210 3364 1 20 . 1 1 26 26 SER N N 26 116.293 116.293 117.608 -1.315 18210 3365 1 20 . 1 1 26 26 SER HA H 26 4.663 4.663 4.289 0.374 18210 3366 1 20 . 1 1 26 26 SER C C 26 174.462 174.462 175.031 -0.569 18210 3367 1 20 . 1 1 26 26 SER CA C 26 58.392 58.392 58.777 -0.385 18210 3368 1 20 . 1 1 26 26 SER CB C 26 64.380 64.380 64.201 0.179 18210 3369 1 20 . 1 1 26 26 SER H H 26 7.813 7.813 7.827 -0.014 18210 3370 1 20 . 1 1 27 27 ASN N N 27 121.919 121.919 117.340 4.579 18210 3371 1 20 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.853 -0.132 18210 3372 1 20 . 1 1 27 27 ASN C C 27 175.869 175.869 174.764 1.105 18210 3373 1 20 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.270 0.740 18210 3374 1 20 . 1 1 27 27 ASN CB C 27 38.640 38.640 38.087 0.553 18210 3375 1 20 . 1 1 27 27 ASN H H 27 8.521 8.521 8.653 -0.132 18210 3376 1 20 . 1 1 28 28 LYS N N 28 121.697 121.697 118.818 2.879 18210 3377 1 20 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.551 -0.191 18210 3378 1 20 . 1 1 28 28 LYS C C 28 176.952 176.952 175.201 1.751 18210 3379 1 20 . 1 1 28 28 LYS CA C 28 56.967 56.967 54.747 2.220 18210 3380 1 20 . 1 1 28 28 LYS CB C 28 32.730 32.730 32.669 0.062 18210 3381 1 20 . 1 1 28 28 LYS H H 28 8.367 8.367 7.581 0.786 18210 3382 1 20 . 1 1 29 29 SER HA H 29 4.498 4.498 4.312 0.186 18210 3383 1 20 . 1 1 29 29 SER C C 29 174.741 174.741 175.357 -0.616 18210 3384 1 20 . 1 1 29 29 SER CA C 29 58.557 58.557 59.504 -0.947 18210 3385 1 20 . 1 1 29 29 SER CB C 29 63.945 63.945 63.770 0.175 18210 3386 1 20 . 1 1 30 30 SER N N 30 116.470 116.470 120.474 -4.004 18210 3387 1 20 . 1 1 30 30 SER HA H 30 4.429 4.429 4.101 0.328 18210 3388 1 20 . 1 1 30 30 SER C C 30 174.467 174.467 174.510 -0.043 18210 3389 1 20 . 1 1 30 30 SER CA C 30 58.616 58.616 61.002 -2.386 18210 3390 1 20 . 1 1 30 30 SER CB C 30 63.834 63.834 63.550 0.284 18210 3391 1 20 . 1 1 30 30 SER H H 30 8.140 8.140 8.741 -0.601 18210 3392 1 20 . 1 1 31 31 ASN N N 31 119.457 119.457 114.344 5.113 18210 3393 1 20 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.716 -0.019 18210 3394 1 20 . 1 1 31 31 ASN C C 31 174.930 174.930 174.431 0.499 18210 3395 1 20 . 1 1 31 31 ASN CA C 31 53.583 53.583 52.225 1.358 18210 3396 1 20 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.256 0.477 18210 3397 1 20 . 1 1 31 31 ASN H H 31 8.354 8.354 7.958 0.396 18210 3398 1 20 . 1 1 32 32 ASN N N 32 118.038 118.038 119.893 -1.855 18210 3399 1 20 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.688 0.010 18210 3400 1 20 . 1 1 32 32 ASN C C 32 174.979 174.979 176.543 -1.564 18210 3401 1 20 . 1 1 32 32 ASN CA C 32 53.580 53.580 53.540 0.040 18210 3402 1 20 . 1 1 32 32 ASN CB C 32 38.810 38.810 38.370 0.440 18210 3403 1 20 . 1 1 32 32 ASN H H 32 8.218 8.218 7.879 0.339 18210 3404 1 20 . 1 1 33 33 GLN N N 33 119.603 119.603 124.134 -4.531 18210 3405 1 20 . 1 1 33 33 GLN HA H 33 4.353 4.353 3.910 0.443 18210 3406 1 20 . 1 1 33 33 GLN C C 33 175.735 175.735 176.290 -0.555 18210 3407 1 20 . 1 1 33 33 GLN CA C 33 55.883 55.883 58.139 -2.256 18210 3408 1 20 . 1 1 33 33 GLN CB C 33 29.131 29.131 28.621 0.510 18210 3409 1 20 . 1 1 33 33 GLN H H 33 8.337 8.337 8.650 -0.313 18210 3410 1 20 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.498 -0.220 18210 3411 1 20 . 1 1 34 34 GLN C C 34 175.170 175.170 173.565 1.605 18210 3412 1 20 . 1 1 34 34 GLN CA C 34 56.102 56.102 54.956 1.146 18210 3413 1 20 . 1 1 34 34 GLN CB C 34 29.870 29.870 29.984 -0.114 18210 3414 1 20 . 1 1 34 34 GLN H H 34 8.087 8.087 8.247 -0.160 18210 3415 1 20 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.197 -0.477 18210 3416 1 20 . 1 1 35 35 ASP C C 35 175.810 175.810 174.967 0.843 18210 3417 1 20 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.092 1.200 18210 3418 1 20 . 1 1 35 35 ASP CB C 35 41.462 41.462 42.812 -1.350 18210 3419 1 20 . 1 1 35 35 ASP H H 35 8.033 8.033 7.940 0.093 18210 3420 1 20 . 1 1 36 36 ILE N N 36 122.378 122.378 126.001 -3.623 18210 3421 1 20 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.242 -0.178 18210 3422 1 20 . 1 1 36 36 ILE C C 36 173.823 173.823 174.585 -0.762 18210 3423 1 20 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.576 0.930 18210 3424 1 20 . 1 1 36 36 ILE CB C 36 37.712 37.712 38.013 -0.301 18210 3425 1 20 . 1 1 36 36 ILE H H 36 8.421 8.421 8.219 0.202 18210 3426 1 20 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.816 -0.309 18210 3427 1 20 . 1 1 37 37 VAL C C 37 174.956 174.956 175.731 -0.775 18210 3428 1 20 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.758 0.777 18210 3429 1 20 . 1 1 37 37 VAL CB C 37 32.932 32.932 33.959 -1.027 18210 3430 1 20 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.666 0.115 18210 3431 1 20 . 1 1 38 38 CYS C C 38 172.106 172.106 174.261 -2.155 18210 3432 1 20 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.255 -3.037 18210 3433 1 20 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.211 23.746 18210 3434 1 20 . 1 1 39 39 THR N N 39 123.385 123.385 123.484 -0.099 18210 3435 1 20 . 1 1 39 39 THR HA H 39 4.998 4.998 4.826 0.172 18210 3436 1 20 . 1 1 39 39 THR C C 39 174.687 174.687 174.024 0.663 18210 3437 1 20 . 1 1 39 39 THR CA C 39 61.514 61.514 62.150 -0.636 18210 3438 1 20 . 1 1 39 39 THR CB C 39 69.880 69.880 69.391 0.489 18210 3439 1 20 . 1 1 39 39 THR H H 39 8.229 8.229 8.565 -0.336 18210 3440 1 20 . 1 1 40 40 VAL N N 40 125.782 125.782 122.210 3.572 18210 3441 1 20 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.571 -0.291 18210 3442 1 20 . 1 1 40 40 VAL C C 40 173.622 173.622 174.023 -0.401 18210 3443 1 20 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.704 0.703 18210 3444 1 20 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.038 -0.238 18210 3445 1 20 . 1 1 40 40 VAL H H 40 8.892 8.892 7.863 1.029 18210 3446 1 20 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.937 -0.032 18210 3447 1 20 . 1 1 41 41 LYS C C 41 175.624 175.624 176.048 -0.424 18210 3448 1 20 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.057 -0.810 18210 3449 1 20 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.791 -1.889 18210 3450 1 20 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.584 -0.277 18210 3451 1 20 . 1 1 42 42 ALA C C 42 175.028 175.028 175.419 -0.391 18210 3452 1 20 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.253 0.291 18210 3453 1 20 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.686 0.547 18210 3454 1 20 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.813 -0.034 18210 3455 1 20 . 1 1 43 43 HIS C C 43 172.767 172.767 174.969 -2.202 18210 3456 1 20 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.629 -2.028 18210 3457 1 20 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.662 -2.363 18210 3458 1 20 . 1 1 43 43 HIS H H 43 8.722 8.722 8.610 0.112 18210 3459 1 20 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.168 -0.128 18210 3460 1 20 . 1 1 44 44 ALA C C 44 178.087 178.087 178.223 -0.136 18210 3461 1 20 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.335 -0.473 18210 3462 1 20 . 1 1 44 44 ALA CB C 44 19.024 19.024 19.094 -0.070 18210 3463 1 20 . 1 1 44 44 ALA H H 44 8.468 8.468 8.219 0.249 18210 3464 1 20 . 1 1 45 45 ASN N N 45 113.483 113.483 113.977 -0.494 18210 3465 1 20 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.909 -0.567 18210 3466 1 20 . 1 1 45 45 ASN C C 45 174.441 174.441 175.162 -0.721 18210 3467 1 20 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.428 1.900 18210 3468 1 20 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.862 -1.183 18210 3469 1 20 . 1 1 45 45 ASN H H 45 7.356 7.356 8.012 -0.656 18210 3470 1 20 . 1 1 46 46 ASP N N 46 120.941 120.941 121.305 -0.364 18210 3471 1 20 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.785 -0.194 18210 3472 1 20 . 1 1 46 46 ASP C C 46 175.724 175.724 175.684 0.040 18210 3473 1 20 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.576 1.593 18210 3474 1 20 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.448 0.071 18210 3475 1 20 . 1 1 46 46 ASP H H 46 7.959 7.959 8.155 -0.196 18210 3476 1 20 . 1 1 47 47 LEU N N 47 123.735 123.735 121.889 1.846 18210 3477 1 20 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.444 0.532 18210 3478 1 20 . 1 1 47 47 LEU C C 47 175.735 175.735 176.804 -1.069 18210 3479 1 20 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.799 -0.108 18210 3480 1 20 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.983 0.583 18210 3481 1 20 . 1 1 47 47 LEU H H 47 8.156 8.156 8.508 -0.352 18210 3482 1 20 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.754 0.517 18210 3483 1 20 . 1 1 48 48 ILE C C 48 175.979 175.979 175.436 0.543 18210 3484 1 20 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.881 0.072 18210 3485 1 20 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.371 2.767 18210 3486 1 20 . 1 1 49 49 GLY N N 49 102.726 102.726 111.346 -8.620 18210 3487 1 20 . 1 1 49 49 GLY C C 49 169.506 169.506 171.713 -2.207 18210 3488 1 20 . 1 1 49 49 GLY CA C 49 48.190 48.190 46.019 2.171 18210 3489 1 20 . 1 1 49 49 GLY H H 49 7.900 7.900 8.397 -0.497 18210 3490 1 20 . 1 1 50 50 PHE N N 50 111.884 111.884 113.427 -1.543 18210 3491 1 20 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.608 0.304 18210 3492 1 20 . 1 1 50 50 PHE C C 50 171.823 171.823 172.036 -0.213 18210 3493 1 20 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.541 -0.814 18210 3494 1 20 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.965 0.064 18210 3495 1 20 . 1 1 50 50 PHE H H 50 8.248 8.248 7.936 0.312 18210 3496 1 20 . 1 1 51 51 LYS N N 51 117.924 117.924 119.193 -1.269 18210 3497 1 20 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.268 0.116 18210 3498 1 20 . 1 1 51 51 LYS C C 51 176.140 176.140 174.544 1.596 18210 3499 1 20 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.949 -0.527 18210 3500 1 20 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.345 0.575 18210 3501 1 20 . 1 1 51 51 LYS H H 51 7.857 7.857 8.003 -0.146 18210 3502 1 20 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.163 -0.142 18210 3503 1 20 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.806 -4.614 18210 3504 1 20 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.056 11.131 18210 3505 1 20 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.400 -0.023 18210 3506 1 20 . 1 1 53 53 PRO C C 53 177.624 177.624 177.392 0.232 18210 3507 1 20 . 1 1 53 53 PRO CA C 53 62.570 62.570 62.840 -0.270 18210 3508 1 20 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.450 -1.194 18210 3509 1 20 . 1 1 54 54 SER HA H 54 4.106 4.106 4.258 -0.152 18210 3510 1 20 . 1 1 54 54 SER C C 54 174.271 174.271 174.878 -0.607 18210 3511 1 20 . 1 1 54 54 SER CA C 54 61.221 61.221 60.043 1.178 18210 3512 1 20 . 1 1 54 54 SER CB C 54 63.243 63.243 62.939 0.304 18210 3513 1 20 . 1 1 55 55 ASN N N 55 115.116 115.116 116.895 -1.779 18210 3514 1 20 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.763 -0.090 18210 3515 1 20 . 1 1 55 55 ASN C C 55 174.556 174.556 174.773 -0.217 18210 3516 1 20 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.462 0.402 18210 3517 1 20 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.801 -1.877 18210 3518 1 20 . 1 1 55 55 ASN H H 55 8.712 8.712 8.405 0.307 18210 3519 1 20 . 1 1 56 56 TYR N N 56 120.489 120.489 118.998 1.491 18210 3520 1 20 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.726 -0.034 18210 3521 1 20 . 1 1 56 56 TYR C C 56 176.019 176.019 174.972 1.047 18210 3522 1 20 . 1 1 56 56 TYR CA C 56 57.469 57.469 57.391 0.078 18210 3523 1 20 . 1 1 56 56 TYR CB C 56 38.698 38.698 40.939 -2.241 18210 3524 1 20 . 1 1 56 56 TYR H H 56 7.637 7.637 7.762 -0.125 18210 3525 1 20 . 1 1 57 57 SER N N 57 117.381 117.381 115.631 1.750 18210 3526 1 20 . 1 1 57 57 SER HA H 57 4.915 4.915 4.811 0.104 18210 3527 1 20 . 1 1 57 57 SER C C 57 173.649 173.649 173.819 -0.170 18210 3528 1 20 . 1 1 57 57 SER CA C 57 57.586 57.586 56.434 1.152 18210 3529 1 20 . 1 1 57 57 SER CB C 57 64.766 64.766 64.244 0.522 18210 3530 1 20 . 1 1 57 57 SER H H 57 9.323 9.323 8.367 0.956 18210 3531 1 20 . 1 1 58 58 VAL N N 58 125.696 125.696 120.593 5.103 18210 3532 1 20 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.447 0.365 18210 3533 1 20 . 1 1 58 58 VAL C C 58 174.911 174.911 175.260 -0.349 18210 3534 1 20 . 1 1 58 58 VAL CA C 58 61.889 61.889 60.905 0.984 18210 3535 1 20 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.556 0.629 18210 3536 1 20 . 1 1 58 58 VAL H H 58 8.474 8.474 8.783 -0.309 18210 3537 1 20 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.946 -0.286 18210 3538 1 20 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.626 -0.027 18210 3539 1 20 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.468 -0.558 18210 3540 1 20 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.600 0.100 18210 3541 1 20 . 1 1 60 60 PRO C C 60 176.708 176.708 176.507 0.201 18210 3542 1 20 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.127 -0.396 18210 3543 1 20 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.345 1.661 18210 3544 1 20 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.588 -0.225 18210 3545 1 20 . 1 1 61 61 HIS C C 61 174.320 174.320 174.670 -0.350 18210 3546 1 20 . 1 1 61 61 HIS CA C 61 58.473 58.473 57.193 1.280 18210 3547 1 20 . 1 1 61 61 HIS CB C 61 28.515 28.515 30.988 -2.473 18210 3548 1 20 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.699 0.344 18210 3549 1 20 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.110 -1.772 18210 3550 1 20 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.550 -1.040 18210 3551 1 20 . 1 1 63 63 CYS N N 63 120.346 120.346 117.966 2.380 18210 3552 1 20 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.625 -0.402 18210 3553 1 20 . 1 1 63 63 CYS C C 63 171.976 171.976 175.379 -3.403 18210 3554 1 20 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.206 -0.702 18210 3555 1 20 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.856 13.225 18210 3556 1 20 . 1 1 63 63 CYS H H 63 6.446 6.446 8.211 -1.765 18210 3557 1 20 . 1 1 64 64 PHE N N 64 116.155 116.155 117.286 -1.131 18210 3558 1 20 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.443 -0.223 18210 3559 1 20 . 1 1 64 64 PHE C C 64 177.110 177.110 177.147 -0.037 18210 3560 1 20 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.545 0.046 18210 3561 1 20 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.841 3.308 18210 3562 1 20 . 1 1 64 64 PHE H H 64 7.697 7.697 7.389 0.308 18210 3563 1 20 . 1 1 65 65 VAL N N 65 119.794 119.794 120.715 -0.921 18210 3564 1 20 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.784 0.181 18210 3565 1 20 . 1 1 65 65 VAL C C 65 176.948 176.948 176.026 0.922 18210 3566 1 20 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.882 1.081 18210 3567 1 20 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.808 -0.724 18210 3568 1 20 . 1 1 65 65 VAL H H 65 8.449 8.449 7.326 1.123 18210 3569 1 20 . 1 1 66 66 SER N N 66 113.648 113.648 111.862 1.786 18210 3570 1 20 . 1 1 66 66 SER HA H 66 5.041 5.041 4.566 0.475 18210 3571 1 20 . 1 1 66 66 SER C C 66 173.905 173.905 172.675 1.230 18210 3572 1 20 . 1 1 66 66 SER CA C 66 56.701 56.701 56.931 -0.230 18210 3573 1 20 . 1 1 66 66 SER CB C 66 65.738 65.738 63.958 1.780 18210 3574 1 20 . 1 1 66 66 SER H H 66 7.706 7.706 7.641 0.065 18210 3575 1 20 . 1 1 67 67 ALA N N 67 115.370 115.370 126.878 -11.508 18210 3576 1 20 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.293 -0.249 18210 3577 1 20 . 1 1 67 67 ALA C C 67 175.316 175.316 174.550 0.766 18210 3578 1 20 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.676 0.446 18210 3579 1 20 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.628 3.199 18210 3580 1 20 . 1 1 67 67 ALA H H 67 9.280 9.280 7.617 1.663 18210 3581 1 20 . 1 1 68 68 PHE N N 68 116.820 116.820 117.564 -0.744 18210 3582 1 20 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.194 -0.195 18210 3583 1 20 . 1 1 68 68 PHE C C 68 176.533 176.533 176.470 0.063 18210 3584 1 20 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.995 0.543 18210 3585 1 20 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.645 -0.681 18210 3586 1 20 . 1 1 68 68 PHE H H 68 8.520 8.520 8.614 -0.094 18210 3587 1 20 . 1 1 69 69 ASN N N 69 118.203 118.203 121.270 -3.067 18210 3588 1 20 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.766 0.276 18210 3589 1 20 . 1 1 69 69 ASN C C 69 176.820 176.820 177.411 -0.591 18210 3590 1 20 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.473 -1.437 18210 3591 1 20 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.304 0.190 18210 3592 1 20 . 1 1 69 69 ASN H H 69 8.498 8.498 8.665 -0.167 18210 3593 1 20 . 1 1 70 70 LEU N N 70 118.189 118.189 120.060 -1.871 18210 3594 1 20 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.286 -0.007 18210 3595 1 20 . 1 1 70 70 LEU C C 70 178.484 178.484 177.950 0.534 18210 3596 1 20 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.790 -0.026 18210 3597 1 20 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.578 0.060 18210 3598 1 20 . 1 1 70 70 LEU H H 70 8.514 8.514 8.869 -0.355 18210 3599 1 20 . 1 1 71 71 SER N N 71 113.939 113.939 112.131 1.808 18210 3600 1 20 . 1 1 71 71 SER HA H 71 4.572 4.572 4.395 0.177 18210 3601 1 20 . 1 1 71 71 SER C C 71 174.682 174.682 175.759 -1.077 18210 3602 1 20 . 1 1 71 71 SER CA C 71 58.758 58.758 58.231 0.527 18210 3603 1 20 . 1 1 71 71 SER CB C 71 63.762 63.762 63.634 0.128 18210 3604 1 20 . 1 1 71 71 SER H H 71 8.049 8.049 7.935 0.114 18210 3605 1 20 . 1 1 72 72 GLY N N 72 109.936 109.936 110.626 -0.690 18210 3606 1 20 . 1 1 72 72 GLY C C 72 173.549 173.549 174.393 -0.844 18210 3607 1 20 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.573 0.065 18210 3608 1 20 . 1 1 72 72 GLY H H 72 8.641 8.641 8.193 0.448 18210 3609 1 20 . 1 1 73 73 LYS N N 73 119.884 119.884 120.638 -0.754 18210 3610 1 20 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.548 0.005 18210 3611 1 20 . 1 1 73 73 LYS C C 73 175.750 175.750 175.436 0.314 18210 3612 1 20 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.431 0.227 18210 3613 1 20 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.878 -0.137 18210 3614 1 20 . 1 1 73 73 LYS H H 73 7.738 7.738 7.555 0.183 18210 3615 1 20 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.931 -0.411 18210 3616 1 20 . 1 1 74 74 ASN C C 74 174.680 174.680 174.768 -0.088 18210 3617 1 20 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.211 1.021 18210 3618 1 20 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.868 0.459 18210 3619 1 20 . 1 1 75 75 GLU N N 75 124.834 124.834 126.995 -2.161 18210 3620 1 20 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.453 0.145 18210 3621 1 20 . 1 1 75 75 GLU C C 75 174.547 174.547 174.678 -0.131 18210 3622 1 20 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.146 -0.259 18210 3623 1 20 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.111 -0.203 18210 3624 1 20 . 1 1 75 75 GLU H H 75 8.835 8.835 8.256 0.579 18210 3625 1 20 . 1 1 76 76 ASN N N 76 121.549 121.549 122.524 -0.975 18210 3626 1 20 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.904 -0.229 18210 3627 1 20 . 1 1 76 76 ASN C C 76 175.670 175.670 176.068 -0.398 18210 3628 1 20 . 1 1 76 76 ASN CA C 76 54.120 54.120 53.946 0.174 18210 3629 1 20 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.734 0.308 18210 3630 1 20 . 1 1 76 76 ASN H H 76 8.580 8.580 8.668 -0.088 18210 3631 1 20 . 1 1 77 77 LEU N N 77 125.808 125.808 123.682 2.126 18210 3632 1 20 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.560 -0.453 18210 3633 1 20 . 1 1 77 77 LEU C C 77 178.104 178.104 177.224 0.880 18210 3634 1 20 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.222 1.769 18210 3635 1 20 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.425 -0.042 18210 3636 1 20 . 1 1 77 77 LEU H H 77 8.610 8.610 8.628 -0.018 18210 3637 1 20 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.201 -0.185 18210 3638 1 20 . 1 1 78 78 GLU C C 78 176.833 176.833 177.294 -0.461 18210 3639 1 20 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.739 0.911 18210 3640 1 20 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.619 1.065 18210 3641 1 20 . 1 1 79 79 ASN N N 79 114.719 114.719 118.119 -3.400 18210 3642 1 20 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.483 0.081 18210 3643 1 20 . 1 1 79 79 ASN C C 79 175.510 175.510 176.369 -0.859 18210 3644 1 20 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.196 -0.804 18210 3645 1 20 . 1 1 79 79 ASN CB C 79 38.718 38.718 38.119 0.599 18210 3646 1 20 . 1 1 79 79 ASN H H 79 8.257 8.257 8.563 -0.306 18210 3647 1 20 . 1 1 80 80 LYS N N 80 118.906 118.906 119.174 -0.268 18210 3648 1 20 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.163 0.130 18210 3649 1 20 . 1 1 80 80 LYS C C 80 175.748 175.748 176.939 -1.191 18210 3650 1 20 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.274 0.491 18210 3651 1 20 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.128 1.217 18210 3652 1 20 . 1 1 80 80 LYS H H 80 7.818 7.818 7.941 -0.123 18210 3653 1 20 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.327 -0.177 18210 3654 1 20 . 1 1 81 81 LEU C C 81 174.688 174.688 174.841 -0.153 18210 3655 1 20 . 1 1 81 81 LEU CA C 81 54.522 54.522 54.064 0.458 18210 3656 1 20 . 1 1 81 81 LEU CB C 81 43.063 43.063 43.862 -0.799 18210 3657 1 20 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.221 -0.052 18210 3658 1 20 . 1 1 82 82 LYS C C 82 175.701 175.701 175.775 -0.074 18210 3659 1 20 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.876 0.292 18210 3660 1 20 . 1 1 82 82 LYS CB C 82 30.017 30.017 31.226 -1.209 18210 3661 1 20 . 1 1 83 83 LEU N N 83 120.762 120.762 125.082 -4.320 18210 3662 1 20 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.438 -0.018 18210 3663 1 20 . 1 1 83 83 LEU C C 83 177.184 177.184 177.508 -0.324 18210 3664 1 20 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.737 0.482 18210 3665 1 20 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.682 -0.371 18210 3666 1 20 . 1 1 83 83 LEU H H 83 7.485 7.485 7.726 -0.241 18210 3667 1 20 . 1 1 84 84 THR N N 84 110.955 110.955 112.904 -1.949 18210 3668 1 20 . 1 1 84 84 THR HA H 84 4.712 4.712 4.567 0.145 18210 3669 1 20 . 1 1 84 84 THR C C 84 173.001 173.001 173.901 -0.900 18210 3670 1 20 . 1 1 84 84 THR CA C 84 59.883 59.883 60.550 -0.667 18210 3671 1 20 . 1 1 84 84 THR CB C 84 71.825 71.825 71.834 -0.009 18210 3672 1 20 . 1 1 84 84 THR H H 84 8.519 8.519 8.266 0.253 18210 3673 1 20 . 1 1 85 85 ASN N N 85 117.589 117.589 117.775 -0.186 18210 3674 1 20 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.400 -0.254 18210 3675 1 20 . 1 1 85 85 ASN C C 85 173.572 173.572 174.321 -0.749 18210 3676 1 20 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.884 0.435 18210 3677 1 20 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.091 1.817 18210 3678 1 20 . 1 1 85 85 ASN H H 85 8.850 8.850 8.795 0.055 18210 3679 1 20 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.432 -0.140 18210 3680 1 20 . 1 1 86 86 ILE C C 86 177.346 177.346 176.060 1.286 18210 3681 1 20 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.436 1.371 18210 3682 1 20 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.996 -0.297 18210 3683 1 20 . 1 1 87 87 ILE N N 87 131.807 131.807 128.704 3.103 18210 3684 1 20 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.524 -0.269 18210 3685 1 20 . 1 1 87 87 ILE C C 87 174.493 174.493 174.527 -0.034 18210 3686 1 20 . 1 1 87 87 ILE CA C 87 60.152 60.152 59.931 0.221 18210 3687 1 20 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.582 1.528 18210 3688 1 20 . 1 1 87 87 ILE H H 87 9.166 9.166 8.910 0.256 18210 3689 1 20 . 1 1 88 88 MET HA H 88 4.017 4.017 4.553 -0.536 18210 3690 1 20 . 1 1 88 88 MET C C 88 173.613 173.613 174.325 -0.712 18210 3691 1 20 . 1 1 88 88 MET CA C 88 53.287 53.287 54.789 -1.502 18210 3692 1 20 . 1 1 88 88 MET CB C 88 33.478 33.478 34.400 -0.922 18210 3693 1 20 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.877 -0.180 18210 3694 1 20 . 1 1 89 89 ASP C C 89 176.750 176.750 175.586 1.164 18210 3695 1 20 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.379 -0.278 18210 3696 1 20 . 1 1 89 89 ASP CB C 89 40.191 40.191 42.095 -1.904 18210 3697 1 20 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.329 0.112 18210 3698 1 20 . 1 1 90 90 HIS C C 90 175.625 175.625 176.077 -0.452 18210 3699 1 20 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.889 -0.635 18210 3700 1 20 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.216 -1.637 18210 3701 1 20 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.243 0.197 18210 3702 1 20 . 1 1 91 91 TYR C C 91 177.915 177.915 175.700 2.215 18210 3703 1 20 . 1 1 91 91 TYR CA C 91 60.760 60.760 60.877 -0.117 18210 3704 1 20 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.949 -0.882 18210 3705 1 20 . 1 1 92 92 ASN N N 92 113.661 113.661 114.596 -0.935 18210 3706 1 20 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.569 0.204 18210 3707 1 20 . 1 1 92 92 ASN C C 92 174.762 174.762 174.693 0.069 18210 3708 1 20 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.974 -0.359 18210 3709 1 20 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.925 0.357 18210 3710 1 20 . 1 1 92 92 ASN H H 92 7.713 7.713 7.955 -0.242 18210 3711 1 20 . 1 1 93 93 ASN N N 93 125.176 125.176 114.316 10.860 18210 3712 1 20 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.330 0.379 18210 3713 1 20 . 1 1 93 93 ASN C C 93 172.729 172.729 173.271 -0.542 18210 3714 1 20 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.508 -1.773 18210 3715 1 20 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.803 1.158 18210 3716 1 20 . 1 1 93 93 ASN H H 93 7.804 7.804 7.848 -0.044 18210 3717 1 20 . 1 1 94 94 THR N N 94 109.900 109.900 111.943 -2.043 18210 3718 1 20 . 1 1 94 94 THR HA H 94 4.852 4.852 4.915 -0.063 18210 3719 1 20 . 1 1 94 94 THR C C 94 170.824 170.824 171.681 -0.857 18210 3720 1 20 . 1 1 94 94 THR CA C 94 61.817 61.817 60.489 1.328 18210 3721 1 20 . 1 1 94 94 THR CB C 94 71.074 71.074 70.954 0.120 18210 3722 1 20 . 1 1 94 94 THR H H 94 7.654 7.654 7.313 0.341 18210 3723 1 20 . 1 1 95 95 PHE N N 95 126.721 126.721 125.061 1.660 18210 3724 1 20 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.259 -0.151 18210 3725 1 20 . 1 1 95 95 PHE C C 95 174.143 174.143 174.169 -0.026 18210 3726 1 20 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.627 -0.058 18210 3727 1 20 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.677 0.116 18210 3728 1 20 . 1 1 95 95 PHE H H 95 8.166 8.166 7.612 0.554 18210 3729 1 20 . 1 1 96 96 TYR N N 96 115.709 115.709 120.155 -4.446 18210 3730 1 20 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.632 0.435 18210 3731 1 20 . 1 1 96 96 TYR C C 96 175.734 175.734 174.697 1.037 18210 3732 1 20 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.566 -0.134 18210 3733 1 20 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.920 1.247 18210 3734 1 20 . 1 1 96 96 TYR H H 96 9.149 9.149 8.707 0.442 18210 3735 1 20 . 1 1 97 97 SER N N 97 109.503 109.503 114.629 -5.126 18210 3736 1 20 . 1 1 97 97 SER HA H 97 4.430 4.430 5.028 -0.598 18210 3737 1 20 . 1 1 97 97 SER C C 97 170.684 170.684 172.994 -2.310 18210 3738 1 20 . 1 1 97 97 SER CA C 97 59.324 59.324 57.114 2.210 18210 3739 1 20 . 1 1 97 97 SER CB C 97 66.341 66.341 65.140 1.201 18210 3740 1 20 . 1 1 97 97 SER H H 97 8.921 8.921 9.346 -0.425 18210 3741 1 20 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.791 0.603 18210 3742 1 20 . 1 1 98 98 ARG C C 98 175.850 175.850 175.117 0.733 18210 3743 1 20 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.598 -0.422 18210 3744 1 20 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.944 0.183 18210 3745 1 20 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.673 -0.343 18210 3746 1 20 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.573 1.233 18210 3747 1 20 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.030 -1.127 18210 3748 1 20 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.377 0.299 18210 3749 1 20 . 1 1 100 100 PRO C C 100 175.744 175.744 176.984 -1.240 18210 3750 1 20 . 1 1 100 100 PRO CA C 100 62.289 62.289 62.938 -0.649 18210 3751 1 20 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.566 0.220 18210 3752 1 20 . 1 1 101 101 SER HA H 101 4.126 4.126 4.235 -0.109 18210 3753 1 20 . 1 1 101 101 SER C C 101 173.214 173.214 174.297 -1.083 18210 3754 1 20 . 1 1 101 101 SER CA C 101 60.265 60.265 60.213 0.052 18210 3755 1 20 . 1 1 101 101 SER CB C 101 63.660 63.660 63.383 0.277 18210 3756 1 20 . 1 1 102 102 LEU N N 102 121.389 121.389 121.732 -0.343 18210 3757 1 20 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.576 -0.044 18210 3758 1 20 . 1 1 102 102 LEU C C 102 175.187 175.187 175.166 0.021 18210 3759 1 20 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.520 0.166 18210 3760 1 20 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.176 0.204 18210 3761 1 20 . 1 1 102 102 LEU H H 102 7.179 7.179 7.388 -0.209 18210 3762 1 20 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.412 0.031 18210 3763 1 20 . 1 1 103 103 ILE C C 103 175.490 175.490 175.681 -0.191 18210 3764 1 20 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.287 -1.378 18210 3765 1 20 . 1 1 103 103 ILE CB C 103 39.678 39.678 40.043 -0.365 18210 3766 1 20 . 1 1 104 104 SER N N 104 120.807 120.807 120.852 -0.045 18210 3767 1 20 . 1 1 104 104 SER HA H 104 4.581 4.581 4.791 -0.210 18210 3768 1 20 . 1 1 104 104 SER C C 104 173.234 173.234 173.114 0.120 18210 3769 1 20 . 1 1 104 104 SER CA C 104 58.166 58.166 58.127 0.039 18210 3770 1 20 . 1 1 104 104 SER CB C 104 64.341 64.341 64.107 0.234 18210 3771 1 20 . 1 1 104 104 SER H H 104 8.471 8.471 8.467 0.004 18210 3772 1 20 . 1 1 105 105 ASP N N 105 119.103 119.103 121.376 -2.273 18210 3773 1 20 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.888 -0.239 18210 3774 1 20 . 1 1 105 105 ASP C C 105 174.991 174.991 174.906 0.085 18210 3775 1 20 . 1 1 105 105 ASP CA C 105 53.734 53.734 53.231 0.503 18210 3776 1 20 . 1 1 105 105 ASP CB C 105 42.477 42.477 43.647 -1.170 18210 3777 1 20 . 1 1 105 105 ASP H H 105 8.060 8.060 8.089 -0.029 18210 3778 1 20 . 1 1 106 106 ASN N N 106 116.036 116.036 119.310 -3.274 18210 3779 1 20 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.849 -0.114 18210 3780 1 20 . 1 1 106 106 ASN C C 106 174.308 174.308 174.954 -0.646 18210 3781 1 20 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.615 1.165 18210 3782 1 20 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.680 0.342 18210 3783 1 20 . 1 1 106 106 ASN H H 106 8.389 8.389 8.446 -0.057 18210 3784 1 20 . 1 1 107 107 TRP N N 107 119.645 119.645 120.120 -0.475 18210 3785 1 20 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.587 0.242 18210 3786 1 20 . 1 1 107 107 TRP C C 107 174.949 174.949 175.057 -0.108 18210 3787 1 20 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.332 -0.140 18210 3788 1 20 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.912 2.301 18210 3789 1 20 . 1 1 107 107 TRP H H 107 7.846 7.846 8.088 -0.242 18210 3790 1 20 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.467 0.995 18210 3791 1 20 . 1 1 108 108 LYS C C 108 174.986 174.986 174.657 0.329 18210 3792 1 20 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.455 0.741 18210 3793 1 20 . 1 1 108 108 LYS CB C 108 36.215 36.215 35.601 0.614 18210 3794 1 20 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.334 0.211 18210 3795 1 20 . 1 1 109 109 PHE C C 109 172.950 172.950 172.515 0.435 18210 3796 1 20 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.357 0.063 18210 3797 1 20 . 1 1 109 109 PHE CB C 109 41.891 41.891 41.770 0.121 18210 3798 1 20 . 1 1 110 110 PHE N N 110 115.390 115.390 114.479 0.911 18210 3799 1 20 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.266 0.766 18210 3800 1 20 . 1 1 110 110 PHE C C 110 173.892 173.892 173.610 0.282 18210 3801 1 20 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.631 0.601 18210 3802 1 20 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.806 2.560 18210 3803 1 20 . 1 1 110 110 PHE H H 110 9.267 9.267 7.715 1.552 18210 3804 1 20 . 1 1 111 111 CYS N N 111 116.463 116.463 117.980 -1.517 18210 3805 1 20 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.908 0.153 18210 3806 1 20 . 1 1 111 111 CYS C C 111 171.900 171.900 173.078 -1.178 18210 3807 1 20 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.830 -3.978 18210 3808 1 20 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.062 16.768 18210 3809 1 20 . 1 1 111 111 CYS H H 111 9.274 9.274 9.170 0.104 18210 3810 1 20 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.088 0.114 18210 3811 1 20 . 1 1 112 112 VAL C C 112 175.041 175.041 174.334 0.707 18210 3812 1 20 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.595 -0.152 18210 3813 1 20 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.028 0.549 18210 3814 1 20 . 1 1 112 112 VAL H H 112 9.605 9.605 8.291 1.314 18210 3815 1 20 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.480 0.280 18210 3816 1 20 . 1 1 113 113 CYS C C 113 173.601 173.601 173.580 0.021 18210 3817 1 20 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.538 -4.717 18210 3818 1 20 . 1 1 113 113 CYS CB C 113 43.946 43.946 28.907 15.039 18210 3819 1 20 . 1 1 114 114 SER N N 114 117.968 117.968 118.779 -0.811 18210 3820 1 20 . 1 1 114 114 SER HA H 114 5.093 5.093 5.038 0.055 18210 3821 1 20 . 1 1 114 114 SER C C 114 172.267 172.267 172.640 -0.373 18210 3822 1 20 . 1 1 114 114 SER CA C 114 56.677 56.677 58.181 -1.504 18210 3823 1 20 . 1 1 114 114 SER CB C 114 66.795 66.795 65.840 0.955 18210 3824 1 20 . 1 1 114 114 SER H H 114 9.250 9.250 9.310 -0.060 18210 3825 1 20 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.488 -0.382 18210 3826 1 20 . 1 1 115 115 LYS C C 115 174.527 174.527 174.509 0.018 18210 3827 1 20 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.245 0.677 18210 3828 1 20 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.344 -2.335 18210 3829 1 20 . 1 1 115 115 LYS H H 115 8.705 8.705 8.420 0.285 18210 3830 1 20 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.504 -0.313 18210 3831 1 20 . 1 1 116 116 ASP C C 116 176.002 176.002 176.621 -0.619 18210 3832 1 20 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.299 1.015 18210 3833 1 20 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.941 -0.494 18210 3834 1 20 . 1 1 117 117 ASN N N 117 116.913 116.913 119.644 -2.731 18210 3835 1 20 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.185 0.254 18210 3836 1 20 . 1 1 117 117 ASN C C 117 174.246 174.246 173.759 0.487 18210 3837 1 20 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.540 -0.107 18210 3838 1 20 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.100 0.082 18210 3839 1 20 . 1 1 117 117 ASN H H 117 8.752 8.752 8.556 0.196 18210 3840 1 20 . 1 1 118 118 GLU N N 118 116.615 116.615 118.043 -1.428 18210 3841 1 20 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.454 0.306 18210 3842 1 20 . 1 1 118 118 GLU C C 118 177.397 177.397 176.092 1.305 18210 3843 1 20 . 1 1 118 118 GLU CA C 118 54.309 54.309 54.943 -0.634 18210 3844 1 20 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.111 -2.020 18210 3845 1 20 . 1 1 118 118 GLU H H 118 7.819 7.819 8.125 -0.306 18210 3846 1 20 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.141 0.024 18210 3847 1 20 . 1 1 119 119 LYS C C 119 177.626 177.626 176.765 0.861 18210 3848 1 20 . 1 1 119 119 LYS CA C 119 57.540 57.540 56.546 0.994 18210 3849 1 20 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.261 0.584 18210 3850 1 20 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.566 -0.261 18210 3851 1 20 . 1 1 120 120 LYS C C 120 174.312 174.312 175.722 -1.410 18210 3852 1 20 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.468 1.638 18210 3853 1 20 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.842 -0.654 18210 3854 1 20 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.317 0.242 18210 3855 1 20 . 1 1 121 121 LEU C C 121 174.893 174.893 175.020 -0.127 18210 3856 1 20 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.548 -0.944 18210 3857 1 20 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.927 -3.321 18210 3858 1 20 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.555 -0.194 18210 3859 1 20 . 1 1 122 122 VAL C C 122 173.909 173.909 174.289 -0.380 18210 3860 1 20 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.196 0.832 18210 3861 1 20 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.619 -0.025 18210 3862 1 20 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.855 0.320 18210 3863 1 20 . 1 1 123 123 PHE C C 123 173.230 173.230 173.124 0.106 18210 3864 1 20 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.294 0.020 18210 3865 1 20 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.599 -0.767 18210 3866 1 20 . 1 1 124 124 THR N N 124 121.688 121.688 123.719 -2.031 18210 3867 1 20 . 1 1 124 124 THR HA H 124 4.885 4.885 4.705 0.180 18210 3868 1 20 . 1 1 124 124 THR C C 124 170.874 170.874 172.200 -1.326 18210 3869 1 20 . 1 1 124 124 THR CA C 124 60.087 60.087 59.863 0.224 18210 3870 1 20 . 1 1 124 124 THR CB C 124 70.942 70.942 71.198 -0.256 18210 3871 1 20 . 1 1 124 124 THR H H 124 8.493 8.493 7.852 0.641 18210 3872 1 20 . 1 1 125 125 VAL N N 125 125.781 125.781 121.682 4.099 18210 3873 1 20 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.005 -0.489 18210 3874 1 20 . 1 1 125 125 VAL C C 125 173.796 173.796 172.700 1.096 18210 3875 1 20 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.465 1.327 18210 3876 1 20 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.366 -2.132 18210 3877 1 20 . 1 1 125 125 VAL H H 125 8.275 8.275 7.884 0.391 18210 3878 1 20 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.725 0.164 18210 3879 1 20 . 1 1 126 126 GLU C C 126 173.519 173.519 174.219 -0.700 18210 3880 1 20 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.138 -0.172 18210 3881 1 20 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.712 -0.750 18210 3882 1 20 . 1 1 126 126 GLU H H 126 8.262 8.262 7.913 0.349 18210 3883 1 4 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.515 -0.346 18210 3884 1 4 . 1 1 2 2 LYS C C 2 176.160 176.160 175.185 0.975 18210 3885 1 4 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.579 0.386 18210 3886 1 4 . 1 1 2 2 LYS CB C 2 33.265 33.265 35.226 -1.961 18210 3887 1 4 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.209 -0.296 18210 3888 1 4 . 1 1 3 3 VAL C C 3 175.820 175.820 175.630 0.190 18210 3889 1 4 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.347 1.141 18210 3890 1 4 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.776 0.003 18210 3891 1 4 . 1 1 4 4 LYS N N 4 129.029 129.029 127.573 1.456 18210 3892 1 4 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.512 -0.005 18210 3893 1 4 . 1 1 4 4 LYS C C 4 174.923 174.923 175.933 -1.010 18210 3894 1 4 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.309 0.994 18210 3895 1 4 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.164 0.087 18210 3896 1 4 . 1 1 4 4 LYS H H 4 8.507 8.507 8.403 0.104 18210 3897 1 4 . 1 1 5 5 GLY N N 5 110.242 110.242 109.833 0.409 18210 3898 1 4 . 1 1 5 5 GLY C C 5 173.333 173.333 171.769 1.564 18210 3899 1 4 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.454 0.810 18210 3900 1 4 . 1 1 5 5 GLY H H 5 8.138 8.138 8.168 -0.030 18210 3901 1 4 . 1 1 6 6 CYS N N 6 114.306 114.306 120.097 -5.791 18210 3902 1 4 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.110 0.141 18210 3903 1 4 . 1 1 6 6 CYS C C 6 170.891 170.891 172.994 -2.103 18210 3904 1 4 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.312 -2.462 18210 3905 1 4 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.423 21.727 18210 3906 1 4 . 1 1 6 6 CYS H H 6 6.750 6.750 8.072 -1.322 18210 3907 1 4 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.910 -0.162 18210 3908 1 4 . 1 1 7 7 ASP C C 7 175.607 175.607 175.526 0.081 18210 3909 1 4 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.596 -0.358 18210 3910 1 4 . 1 1 7 7 ASP CB C 7 41.617 41.617 41.995 -0.378 18210 3911 1 4 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.584 0.293 18210 3912 1 4 . 1 1 8 8 PHE C C 8 173.972 173.972 175.900 -1.928 18210 3913 1 4 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.713 0.742 18210 3914 1 4 . 1 1 8 8 PHE CB C 8 39.219 39.219 39.154 0.066 18210 3915 1 4 . 1 1 9 9 THR N N 9 105.421 105.421 112.399 -6.978 18210 3916 1 4 . 1 1 9 9 THR HA H 9 4.611 4.611 4.513 0.098 18210 3917 1 4 . 1 1 9 9 THR C C 9 174.505 174.505 175.009 -0.504 18210 3918 1 4 . 1 1 9 9 THR CA C 9 61.988 61.988 63.193 -1.205 18210 3919 1 4 . 1 1 9 9 THR CB C 9 70.385 70.385 70.603 -0.218 18210 3920 1 4 . 1 1 9 9 THR H H 9 8.996 8.996 8.734 0.262 18210 3921 1 4 . 1 1 10 10 THR N N 10 118.757 118.757 116.738 2.019 18210 3922 1 4 . 1 1 10 10 THR HA H 10 4.526 4.526 4.623 -0.097 18210 3923 1 4 . 1 1 10 10 THR C C 10 171.202 171.202 173.816 -2.614 18210 3924 1 4 . 1 1 10 10 THR CA C 10 60.774 60.774 61.620 -0.846 18210 3925 1 4 . 1 1 10 10 THR CB C 10 68.040 68.040 72.022 -3.982 18210 3926 1 4 . 1 1 10 10 THR H H 10 7.199 7.199 7.662 -0.463 18210 3927 1 4 . 1 1 11 11 SER N N 11 117.117 117.117 118.564 -1.447 18210 3928 1 4 . 1 1 11 11 SER HA H 11 3.907 3.907 4.144 -0.237 18210 3929 1 4 . 1 1 11 11 SER C C 11 174.988 174.988 174.603 0.385 18210 3930 1 4 . 1 1 11 11 SER CA C 11 59.563 59.563 60.701 -1.138 18210 3931 1 4 . 1 1 11 11 SER CB C 11 63.599 63.599 63.538 0.061 18210 3932 1 4 . 1 1 11 11 SER H H 11 7.997 7.997 8.752 -0.755 18210 3933 1 4 . 1 1 12 12 GLU N N 12 125.013 125.013 118.965 6.048 18210 3934 1 4 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.476 0.089 18210 3935 1 4 . 1 1 12 12 GLU C C 12 175.108 175.108 175.425 -0.317 18210 3936 1 4 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.156 -0.897 18210 3937 1 4 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.364 0.564 18210 3938 1 4 . 1 1 12 12 GLU H H 12 8.375 8.375 8.235 0.140 18210 3939 1 4 . 1 1 13 13 SER N N 13 114.959 114.959 117.004 -2.045 18210 3940 1 4 . 1 1 13 13 SER HA H 13 4.130 4.130 4.417 -0.287 18210 3941 1 4 . 1 1 13 13 SER C C 13 176.833 176.833 174.970 1.863 18210 3942 1 4 . 1 1 13 13 SER CA C 13 58.707 58.707 59.036 -0.329 18210 3943 1 4 . 1 1 13 13 SER CB C 13 63.598 63.598 64.401 -0.803 18210 3944 1 4 . 1 1 13 13 SER H H 13 7.879 7.879 8.244 -0.365 18210 3945 1 4 . 1 1 14 14 THR N N 14 117.688 117.688 117.802 -0.114 18210 3946 1 4 . 1 1 14 14 THR HA H 14 4.348 4.348 4.494 -0.146 18210 3947 1 4 . 1 1 14 14 THR C C 14 174.550 174.550 174.848 -0.298 18210 3948 1 4 . 1 1 14 14 THR CA C 14 62.435 62.435 62.167 0.268 18210 3949 1 4 . 1 1 14 14 THR CB C 14 69.114 69.114 68.812 0.302 18210 3950 1 4 . 1 1 14 14 THR H H 14 8.978 8.978 8.764 0.214 18210 3951 1 4 . 1 1 15 15 ILE N N 15 118.851 118.851 114.400 4.451 18210 3952 1 4 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.388 -0.350 18210 3953 1 4 . 1 1 15 15 ILE C C 15 175.389 175.389 173.480 1.909 18210 3954 1 4 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.734 1.966 18210 3955 1 4 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.699 1.748 18210 3956 1 4 . 1 1 15 15 ILE H H 15 7.947 7.947 7.482 0.465 18210 3957 1 4 . 1 1 16 16 PHE N N 16 116.409 116.409 120.043 -3.634 18210 3958 1 4 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.501 0.017 18210 3959 1 4 . 1 1 16 16 PHE C C 16 176.700 176.700 175.876 0.824 18210 3960 1 4 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.738 0.724 18210 3961 1 4 . 1 1 16 16 PHE CB C 16 42.712 42.712 42.052 0.660 18210 3962 1 4 . 1 1 16 16 PHE H H 16 7.792 7.792 7.734 0.058 18210 3963 1 4 . 1 1 17 17 SER N N 17 114.126 114.126 116.242 -2.116 18210 3964 1 4 . 1 1 17 17 SER HA H 17 3.984 3.984 4.430 -0.446 18210 3965 1 4 . 1 1 17 17 SER C C 17 174.203 174.203 174.572 -0.369 18210 3966 1 4 . 1 1 17 17 SER CA C 17 61.176 61.176 60.285 0.891 18210 3967 1 4 . 1 1 17 17 SER CB C 17 63.438 63.438 64.045 -0.607 18210 3968 1 4 . 1 1 17 17 SER H H 17 8.666 8.666 8.574 0.092 18210 3969 1 4 . 1 1 18 18 LYS N N 18 122.828 122.828 120.869 1.959 18210 3970 1 4 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.461 0.297 18210 3971 1 4 . 1 1 18 18 LYS C C 18 174.029 174.029 174.543 -0.514 18210 3972 1 4 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.424 0.237 18210 3973 1 4 . 1 1 18 18 LYS CB C 18 35.049 35.049 34.836 0.213 18210 3974 1 4 . 1 1 18 18 LYS H H 18 8.031 8.031 7.296 0.735 18210 3975 1 4 . 1 1 19 19 GLY N N 19 112.051 112.051 110.490 1.561 18210 3976 1 4 . 1 1 19 19 GLY C C 19 172.307 172.307 172.586 -0.279 18210 3977 1 4 . 1 1 19 19 GLY CA C 19 44.946 44.946 44.945 0.001 18210 3978 1 4 . 1 1 19 19 GLY H H 19 8.092 8.092 8.000 0.092 18210 3979 1 4 . 1 1 20 20 TYR N N 20 120.060 120.060 118.925 1.135 18210 3980 1 4 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.703 -0.133 18210 3981 1 4 . 1 1 20 20 TYR C C 20 173.557 173.557 174.765 -1.208 18210 3982 1 4 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.187 0.325 18210 3983 1 4 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.454 0.637 18210 3984 1 4 . 1 1 20 20 TYR H H 20 7.968 7.968 8.528 -0.560 18210 3985 1 4 . 1 1 21 21 SER N N 21 115.201 115.201 116.199 -0.998 18210 3986 1 4 . 1 1 21 21 SER HA H 21 4.562 4.562 4.762 -0.200 18210 3987 1 4 . 1 1 21 21 SER C C 21 176.172 176.172 176.147 0.025 18210 3988 1 4 . 1 1 21 21 SER CA C 21 56.537 56.537 55.527 1.010 18210 3989 1 4 . 1 1 21 21 SER CB C 21 65.257 65.257 64.893 0.364 18210 3990 1 4 . 1 1 21 21 SER H H 21 8.761 8.761 8.534 0.227 18210 3991 1 4 . 1 1 22 22 ILE N N 22 122.867 122.867 121.338 1.529 18210 3992 1 4 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.906 0.253 18210 3993 1 4 . 1 1 22 22 ILE C C 22 177.561 177.561 176.510 1.051 18210 3994 1 4 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.593 -0.880 18210 3995 1 4 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.840 0.015 18210 3996 1 4 . 1 1 22 22 ILE H H 22 8.646 8.646 8.639 0.007 18210 3997 1 4 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.528 0.017 18210 3998 1 4 . 1 1 23 23 ASN C C 23 176.647 176.647 177.536 -0.889 18210 3999 1 4 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.601 -0.095 18210 4000 1 4 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.643 -0.190 18210 4001 1 4 . 1 1 24 24 GLU N N 24 118.601 118.601 119.071 -0.470 18210 4002 1 4 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.078 0.208 18210 4003 1 4 . 1 1 24 24 GLU C C 24 177.998 177.998 178.352 -0.354 18210 4004 1 4 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.264 -0.958 18210 4005 1 4 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.649 1.009 18210 4006 1 4 . 1 1 24 24 GLU H H 24 7.837 7.837 7.634 0.203 18210 4007 1 4 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.072 0.101 18210 4008 1 4 . 1 1 25 25 ILE C C 25 176.641 176.641 176.479 0.162 18210 4009 1 4 . 1 1 25 25 ILE CA C 25 62.612 62.612 62.937 -0.325 18210 4010 1 4 . 1 1 25 25 ILE CB C 25 38.360 38.360 37.923 0.437 18210 4011 1 4 . 1 1 26 26 SER N N 26 116.293 116.293 114.583 1.710 18210 4012 1 4 . 1 1 26 26 SER HA H 26 4.663 4.663 4.507 0.156 18210 4013 1 4 . 1 1 26 26 SER C C 26 174.462 174.462 175.360 -0.898 18210 4014 1 4 . 1 1 26 26 SER CA C 26 58.392 58.392 58.522 -0.130 18210 4015 1 4 . 1 1 26 26 SER CB C 26 64.380 64.380 64.748 -0.368 18210 4016 1 4 . 1 1 26 26 SER H H 26 7.813 7.813 7.711 0.102 18210 4017 1 4 . 1 1 27 27 ASN N N 27 121.919 121.919 122.824 -0.905 18210 4018 1 4 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.535 0.186 18210 4019 1 4 . 1 1 27 27 ASN C C 27 175.869 175.869 174.564 1.305 18210 4020 1 4 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.584 0.426 18210 4021 1 4 . 1 1 27 27 ASN CB C 27 38.640 38.640 36.808 1.832 18210 4022 1 4 . 1 1 27 27 ASN H H 27 8.521 8.521 8.607 -0.086 18210 4023 1 4 . 1 1 28 28 LYS N N 28 121.697 121.697 123.342 -1.645 18210 4024 1 4 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.029 0.331 18210 4025 1 4 . 1 1 28 28 LYS C C 28 176.952 176.952 175.959 0.993 18210 4026 1 4 . 1 1 28 28 LYS CA C 28 56.967 56.967 57.969 -1.002 18210 4027 1 4 . 1 1 28 28 LYS CB C 28 32.730 32.730 31.596 1.134 18210 4028 1 4 . 1 1 28 28 LYS H H 28 8.367 8.367 8.775 -0.408 18210 4029 1 4 . 1 1 29 29 SER HA H 29 4.498 4.498 4.476 0.022 18210 4030 1 4 . 1 1 29 29 SER C C 29 174.741 174.741 174.184 0.557 18210 4031 1 4 . 1 1 29 29 SER CA C 29 58.557 58.557 57.752 0.805 18210 4032 1 4 . 1 1 29 29 SER CB C 29 63.945 63.945 64.551 -0.606 18210 4033 1 4 . 1 1 30 30 SER N N 30 116.470 116.470 119.043 -2.573 18210 4034 1 4 . 1 1 30 30 SER HA H 30 4.429 4.429 4.447 -0.018 18210 4035 1 4 . 1 1 30 30 SER C C 30 174.467 174.467 176.045 -1.578 18210 4036 1 4 . 1 1 30 30 SER CA C 30 58.616 58.616 58.366 0.250 18210 4037 1 4 . 1 1 30 30 SER CB C 30 63.834 63.834 65.234 -1.400 18210 4038 1 4 . 1 1 30 30 SER H H 30 8.140 8.140 8.507 -0.367 18210 4039 1 4 . 1 1 31 31 ASN N N 31 119.457 119.457 119.135 0.322 18210 4040 1 4 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.421 0.276 18210 4041 1 4 . 1 1 31 31 ASN C C 31 174.930 174.930 176.075 -1.145 18210 4042 1 4 . 1 1 31 31 ASN CA C 31 53.583 53.583 55.016 -1.433 18210 4043 1 4 . 1 1 31 31 ASN CB C 31 38.733 38.733 37.420 1.313 18210 4044 1 4 . 1 1 31 31 ASN H H 31 8.354 8.354 8.806 -0.452 18210 4045 1 4 . 1 1 32 32 ASN N N 32 118.038 118.038 119.572 -1.534 18210 4046 1 4 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.720 -0.022 18210 4047 1 4 . 1 1 32 32 ASN C C 32 174.979 174.979 175.503 -0.524 18210 4048 1 4 . 1 1 32 32 ASN CA C 32 53.580 53.580 54.081 -0.501 18210 4049 1 4 . 1 1 32 32 ASN CB C 32 38.810 38.810 37.822 0.989 18210 4050 1 4 . 1 1 32 32 ASN H H 32 8.218 8.218 8.078 0.140 18210 4051 1 4 . 1 1 33 33 GLN N N 33 119.603 119.603 115.531 4.072 18210 4052 1 4 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.313 0.040 18210 4053 1 4 . 1 1 33 33 GLN C C 33 175.735 175.735 175.869 -0.134 18210 4054 1 4 . 1 1 33 33 GLN CA C 33 55.883 55.883 57.322 -1.439 18210 4055 1 4 . 1 1 33 33 GLN CB C 33 29.131 29.131 29.095 0.036 18210 4056 1 4 . 1 1 33 33 GLN H H 33 8.337 8.337 7.944 0.393 18210 4057 1 4 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.437 -0.159 18210 4058 1 4 . 1 1 34 34 GLN C C 34 175.170 175.170 174.631 0.539 18210 4059 1 4 . 1 1 34 34 GLN CA C 34 56.102 56.102 56.276 -0.174 18210 4060 1 4 . 1 1 34 34 GLN CB C 34 29.870 29.870 31.220 -1.349 18210 4061 1 4 . 1 1 34 34 GLN H H 34 8.087 8.087 7.848 0.239 18210 4062 1 4 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.422 -0.702 18210 4063 1 4 . 1 1 35 35 ASP C C 35 175.810 175.810 175.134 0.676 18210 4064 1 4 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.115 1.177 18210 4065 1 4 . 1 1 35 35 ASP CB C 35 41.462 41.462 43.786 -2.324 18210 4066 1 4 . 1 1 35 35 ASP H H 35 8.033 8.033 7.790 0.243 18210 4067 1 4 . 1 1 36 36 ILE N N 36 122.378 122.378 125.499 -3.121 18210 4068 1 4 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.409 -0.345 18210 4069 1 4 . 1 1 36 36 ILE C C 36 173.823 173.823 174.652 -0.829 18210 4070 1 4 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.029 1.477 18210 4071 1 4 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.687 0.025 18210 4072 1 4 . 1 1 36 36 ILE H H 36 8.421 8.421 8.619 -0.198 18210 4073 1 4 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.771 -0.264 18210 4074 1 4 . 1 1 37 37 VAL C C 37 174.956 174.956 175.600 -0.644 18210 4075 1 4 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.839 0.696 18210 4076 1 4 . 1 1 37 37 VAL CB C 37 32.932 32.932 33.538 -0.606 18210 4077 1 4 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.764 0.017 18210 4078 1 4 . 1 1 38 38 CYS C C 38 172.106 172.106 174.470 -2.364 18210 4079 1 4 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.173 -2.955 18210 4080 1 4 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.619 23.337 18210 4081 1 4 . 1 1 39 39 THR N N 39 123.385 123.385 123.271 0.114 18210 4082 1 4 . 1 1 39 39 THR HA H 39 4.998 4.998 4.955 0.043 18210 4083 1 4 . 1 1 39 39 THR C C 39 174.687 174.687 174.135 0.552 18210 4084 1 4 . 1 1 39 39 THR CA C 39 61.514 61.514 62.241 -0.727 18210 4085 1 4 . 1 1 39 39 THR CB C 39 69.880 69.880 69.510 0.370 18210 4086 1 4 . 1 1 39 39 THR H H 39 8.229 8.229 8.595 -0.366 18210 4087 1 4 . 1 1 40 40 VAL N N 40 125.782 125.782 123.089 2.693 18210 4088 1 4 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.658 -0.378 18210 4089 1 4 . 1 1 40 40 VAL C C 40 173.622 173.622 174.002 -0.380 18210 4090 1 4 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.473 0.934 18210 4091 1 4 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.766 -0.966 18210 4092 1 4 . 1 1 40 40 VAL H H 40 8.892 8.892 8.127 0.765 18210 4093 1 4 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.890 0.015 18210 4094 1 4 . 1 1 41 41 LYS C C 41 175.624 175.624 176.163 -0.539 18210 4095 1 4 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.177 -0.930 18210 4096 1 4 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.280 -1.378 18210 4097 1 4 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.578 -0.271 18210 4098 1 4 . 1 1 42 42 ALA C C 42 175.028 175.028 175.498 -0.470 18210 4099 1 4 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.236 0.307 18210 4100 1 4 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.230 1.003 18210 4101 1 4 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.796 -0.017 18210 4102 1 4 . 1 1 43 43 HIS C C 43 172.767 172.767 175.550 -2.783 18210 4103 1 4 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.626 -2.025 18210 4104 1 4 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.847 -2.548 18210 4105 1 4 . 1 1 43 43 HIS H H 43 8.722 8.722 8.613 0.109 18210 4106 1 4 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.129 -0.089 18210 4107 1 4 . 1 1 44 44 ALA C C 44 178.087 178.087 177.798 0.289 18210 4108 1 4 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.350 -0.488 18210 4109 1 4 . 1 1 44 44 ALA CB C 44 19.024 19.024 18.789 0.235 18210 4110 1 4 . 1 1 44 44 ALA H H 44 8.468 8.468 8.095 0.373 18210 4111 1 4 . 1 1 45 45 ASN N N 45 113.483 113.483 114.580 -1.097 18210 4112 1 4 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.793 -0.451 18210 4113 1 4 . 1 1 45 45 ASN C C 45 174.441 174.441 174.426 0.015 18210 4114 1 4 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.127 2.201 18210 4115 1 4 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.695 -1.016 18210 4116 1 4 . 1 1 45 45 ASN H H 45 7.356 7.356 8.594 -1.238 18210 4117 1 4 . 1 1 46 46 ASP N N 46 120.941 120.941 120.058 0.883 18210 4118 1 4 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.764 -0.173 18210 4119 1 4 . 1 1 46 46 ASP C C 46 175.724 175.724 175.900 -0.176 18210 4120 1 4 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.840 1.329 18210 4121 1 4 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.299 0.220 18210 4122 1 4 . 1 1 46 46 ASP H H 46 7.959 7.959 8.343 -0.384 18210 4123 1 4 . 1 1 47 47 LEU N N 47 123.735 123.735 121.683 2.052 18210 4124 1 4 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.431 0.545 18210 4125 1 4 . 1 1 47 47 LEU C C 47 175.735 175.735 176.857 -1.122 18210 4126 1 4 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.800 -0.109 18210 4127 1 4 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.871 0.695 18210 4128 1 4 . 1 1 47 47 LEU H H 47 8.156 8.156 8.505 -0.349 18210 4129 1 4 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.651 0.620 18210 4130 1 4 . 1 1 48 48 ILE C C 48 175.979 175.979 175.509 0.470 18210 4131 1 4 . 1 1 48 48 ILE CA C 48 58.953 58.953 59.092 -0.139 18210 4132 1 4 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.084 3.054 18210 4133 1 4 . 1 1 49 49 GLY N N 49 102.726 102.726 111.236 -8.510 18210 4134 1 4 . 1 1 49 49 GLY C C 49 169.506 169.506 171.844 -2.338 18210 4135 1 4 . 1 1 49 49 GLY CA C 49 48.190 48.190 46.020 2.170 18210 4136 1 4 . 1 1 49 49 GLY H H 49 7.900 7.900 8.501 -0.601 18210 4137 1 4 . 1 1 50 50 PHE N N 50 111.884 111.884 113.585 -1.701 18210 4138 1 4 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.550 0.363 18210 4139 1 4 . 1 1 50 50 PHE C C 50 171.823 171.823 171.887 -0.064 18210 4140 1 4 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.754 -1.027 18210 4141 1 4 . 1 1 50 50 PHE CB C 50 41.029 41.029 39.962 1.067 18210 4142 1 4 . 1 1 50 50 PHE H H 50 8.248 8.248 7.819 0.429 18210 4143 1 4 . 1 1 51 51 LYS N N 51 117.924 117.924 119.105 -1.181 18210 4144 1 4 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.320 0.064 18210 4145 1 4 . 1 1 51 51 LYS C C 51 176.140 176.140 174.569 1.571 18210 4146 1 4 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.963 -0.542 18210 4147 1 4 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.301 0.619 18210 4148 1 4 . 1 1 51 51 LYS H H 51 7.857 7.857 7.958 -0.101 18210 4149 1 4 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.097 -0.076 18210 4150 1 4 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.816 -4.625 18210 4151 1 4 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.108 11.079 18210 4152 1 4 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.379 -0.002 18210 4153 1 4 . 1 1 53 53 PRO C C 53 177.624 177.624 177.239 0.385 18210 4154 1 4 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.087 -0.517 18210 4155 1 4 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.351 -1.095 18210 4156 1 4 . 1 1 54 54 SER HA H 54 4.106 4.106 4.291 -0.185 18210 4157 1 4 . 1 1 54 54 SER C C 54 174.271 174.271 174.792 -0.521 18210 4158 1 4 . 1 1 54 54 SER CA C 54 61.221 61.221 60.380 0.841 18210 4159 1 4 . 1 1 54 54 SER CB C 54 63.243 63.243 63.068 0.175 18210 4160 1 4 . 1 1 55 55 ASN N N 55 115.116 115.116 116.902 -1.786 18210 4161 1 4 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.804 -0.131 18210 4162 1 4 . 1 1 55 55 ASN C C 55 174.556 174.556 174.602 -0.046 18210 4163 1 4 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.413 0.451 18210 4164 1 4 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.808 -1.884 18210 4165 1 4 . 1 1 55 55 ASN H H 55 8.712 8.712 8.385 0.327 18210 4166 1 4 . 1 1 56 56 TYR N N 56 120.489 120.489 119.952 0.537 18210 4167 1 4 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.594 0.098 18210 4168 1 4 . 1 1 56 56 TYR C C 56 176.019 176.019 175.053 0.966 18210 4169 1 4 . 1 1 56 56 TYR CA C 56 57.469 57.469 58.068 -0.599 18210 4170 1 4 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.395 -2.697 18210 4171 1 4 . 1 1 56 56 TYR H H 56 7.637 7.637 7.641 -0.004 18210 4172 1 4 . 1 1 57 57 SER N N 57 117.381 117.381 114.964 2.417 18210 4173 1 4 . 1 1 57 57 SER HA H 57 4.915 4.915 4.831 0.084 18210 4174 1 4 . 1 1 57 57 SER C C 57 173.649 173.649 173.823 -0.174 18210 4175 1 4 . 1 1 57 57 SER CA C 57 57.586 57.586 56.664 0.922 18210 4176 1 4 . 1 1 57 57 SER CB C 57 64.766 64.766 64.334 0.432 18210 4177 1 4 . 1 1 57 57 SER H H 57 9.323 9.323 8.367 0.956 18210 4178 1 4 . 1 1 58 58 VAL N N 58 125.696 125.696 121.192 4.504 18210 4179 1 4 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.662 0.150 18210 4180 1 4 . 1 1 58 58 VAL C C 58 174.911 174.911 175.348 -0.437 18210 4181 1 4 . 1 1 58 58 VAL CA C 58 61.889 61.889 60.859 1.030 18210 4182 1 4 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.970 0.215 18210 4183 1 4 . 1 1 58 58 VAL H H 58 8.474 8.474 8.699 -0.225 18210 4184 1 4 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.956 -0.296 18210 4185 1 4 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.732 -0.133 18210 4186 1 4 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.725 -0.815 18210 4187 1 4 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.654 0.046 18210 4188 1 4 . 1 1 60 60 PRO C C 60 176.708 176.708 176.344 0.364 18210 4189 1 4 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.051 -0.320 18210 4190 1 4 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.409 1.597 18210 4191 1 4 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.648 -0.285 18210 4192 1 4 . 1 1 61 61 HIS C C 61 174.320 174.320 174.819 -0.499 18210 4193 1 4 . 1 1 61 61 HIS CA C 61 58.473 58.473 58.225 0.248 18210 4194 1 4 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.232 -2.717 18210 4195 1 4 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.725 0.318 18210 4196 1 4 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.164 -1.826 18210 4197 1 4 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.526 -1.016 18210 4198 1 4 . 1 1 63 63 CYS N N 63 120.346 120.346 117.955 2.391 18210 4199 1 4 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.662 -0.439 18210 4200 1 4 . 1 1 63 63 CYS C C 63 171.976 171.976 175.452 -3.476 18210 4201 1 4 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.296 -0.792 18210 4202 1 4 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.895 13.186 18210 4203 1 4 . 1 1 63 63 CYS H H 63 6.446 6.446 8.256 -1.810 18210 4204 1 4 . 1 1 64 64 PHE N N 64 116.155 116.155 117.077 -0.922 18210 4205 1 4 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.461 -0.241 18210 4206 1 4 . 1 1 64 64 PHE C C 64 177.110 177.110 176.980 0.130 18210 4207 1 4 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.602 -0.011 18210 4208 1 4 . 1 1 64 64 PHE CB C 64 41.149 41.149 38.004 3.145 18210 4209 1 4 . 1 1 64 64 PHE H H 64 7.697 7.697 7.557 0.140 18210 4210 1 4 . 1 1 65 65 VAL N N 65 119.794 119.794 119.682 0.112 18210 4211 1 4 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.816 0.149 18210 4212 1 4 . 1 1 65 65 VAL C C 65 176.948 176.948 175.745 1.203 18210 4213 1 4 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.798 1.165 18210 4214 1 4 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.569 -0.485 18210 4215 1 4 . 1 1 65 65 VAL H H 65 8.449 8.449 7.199 1.250 18210 4216 1 4 . 1 1 66 66 SER N N 66 113.648 113.648 109.562 4.086 18210 4217 1 4 . 1 1 66 66 SER HA H 66 5.041 5.041 4.398 0.643 18210 4218 1 4 . 1 1 66 66 SER C C 66 173.905 173.905 172.224 1.681 18210 4219 1 4 . 1 1 66 66 SER CA C 66 56.701 56.701 57.787 -1.086 18210 4220 1 4 . 1 1 66 66 SER CB C 66 65.738 65.738 63.842 1.896 18210 4221 1 4 . 1 1 66 66 SER H H 66 7.706 7.706 7.444 0.262 18210 4222 1 4 . 1 1 67 67 ALA N N 67 115.370 115.370 126.394 -11.024 18210 4223 1 4 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.306 -0.262 18210 4224 1 4 . 1 1 67 67 ALA C C 67 175.316 175.316 174.466 0.850 18210 4225 1 4 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.766 0.356 18210 4226 1 4 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.545 3.282 18210 4227 1 4 . 1 1 67 67 ALA H H 67 9.280 9.280 7.644 1.636 18210 4228 1 4 . 1 1 68 68 PHE N N 68 116.820 116.820 117.552 -0.732 18210 4229 1 4 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.105 -0.106 18210 4230 1 4 . 1 1 68 68 PHE C C 68 176.533 176.533 176.558 -0.025 18210 4231 1 4 . 1 1 68 68 PHE CA C 68 57.538 57.538 57.023 0.515 18210 4232 1 4 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.425 -0.461 18210 4233 1 4 . 1 1 68 68 PHE H H 68 8.520 8.520 8.647 -0.127 18210 4234 1 4 . 1 1 69 69 ASN N N 69 118.203 118.203 120.799 -2.596 18210 4235 1 4 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.907 0.135 18210 4236 1 4 . 1 1 69 69 ASN C C 69 176.820 176.820 177.515 -0.695 18210 4237 1 4 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.641 -1.605 18210 4238 1 4 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.259 0.235 18210 4239 1 4 . 1 1 69 69 ASN H H 69 8.498 8.498 8.765 -0.267 18210 4240 1 4 . 1 1 70 70 LEU N N 70 118.189 118.189 120.349 -2.160 18210 4241 1 4 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.352 -0.073 18210 4242 1 4 . 1 1 70 70 LEU C C 70 178.484 178.484 177.687 0.797 18210 4243 1 4 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.865 -0.101 18210 4244 1 4 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.520 0.118 18210 4245 1 4 . 1 1 70 70 LEU H H 70 8.514 8.514 8.827 -0.313 18210 4246 1 4 . 1 1 71 71 SER N N 71 113.939 113.939 113.311 0.628 18210 4247 1 4 . 1 1 71 71 SER HA H 71 4.572 4.572 4.476 0.096 18210 4248 1 4 . 1 1 71 71 SER C C 71 174.682 174.682 175.433 -0.751 18210 4249 1 4 . 1 1 71 71 SER CA C 71 58.758 58.758 58.794 -0.035 18210 4250 1 4 . 1 1 71 71 SER CB C 71 63.762 63.762 63.184 0.578 18210 4251 1 4 . 1 1 71 71 SER H H 71 8.049 8.049 7.899 0.150 18210 4252 1 4 . 1 1 72 72 GLY N N 72 109.936 109.936 109.673 0.263 18210 4253 1 4 . 1 1 72 72 GLY C C 72 173.549 173.549 173.217 0.332 18210 4254 1 4 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.672 -0.034 18210 4255 1 4 . 1 1 72 72 GLY H H 72 8.641 8.641 8.000 0.641 18210 4256 1 4 . 1 1 73 73 LYS N N 73 119.884 119.884 119.115 0.769 18210 4257 1 4 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.479 0.074 18210 4258 1 4 . 1 1 73 73 LYS C C 73 175.750 175.750 175.279 0.471 18210 4259 1 4 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.980 -0.322 18210 4260 1 4 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.743 -0.002 18210 4261 1 4 . 1 1 73 73 LYS H H 73 7.738 7.738 7.830 -0.092 18210 4262 1 4 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.921 -0.401 18210 4263 1 4 . 1 1 74 74 ASN C C 74 174.680 174.680 174.890 -0.210 18210 4264 1 4 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.053 1.179 18210 4265 1 4 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.625 0.702 18210 4266 1 4 . 1 1 75 75 GLU N N 75 124.834 124.834 126.308 -1.474 18210 4267 1 4 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.426 0.172 18210 4268 1 4 . 1 1 75 75 GLU C C 75 174.547 174.547 175.538 -0.991 18210 4269 1 4 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.244 -0.357 18210 4270 1 4 . 1 1 75 75 GLU CB C 75 32.908 32.908 34.346 -1.438 18210 4271 1 4 . 1 1 75 75 GLU H H 75 8.835 8.835 8.044 0.791 18210 4272 1 4 . 1 1 76 76 ASN N N 76 121.549 121.549 120.842 0.707 18210 4273 1 4 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.664 0.011 18210 4274 1 4 . 1 1 76 76 ASN C C 76 175.670 175.670 176.034 -0.364 18210 4275 1 4 . 1 1 76 76 ASN CA C 76 54.120 54.120 54.208 -0.088 18210 4276 1 4 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.767 0.275 18210 4277 1 4 . 1 1 76 76 ASN H H 76 8.580 8.580 8.715 -0.135 18210 4278 1 4 . 1 1 77 77 LEU N N 77 125.808 125.808 123.024 2.784 18210 4279 1 4 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.586 -0.479 18210 4280 1 4 . 1 1 77 77 LEU C C 77 178.104 178.104 177.151 0.953 18210 4281 1 4 . 1 1 77 77 LEU CA C 77 55.991 55.991 53.905 2.086 18210 4282 1 4 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.059 0.325 18210 4283 1 4 . 1 1 77 77 LEU H H 77 8.610 8.610 8.122 0.488 18210 4284 1 4 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.178 -0.162 18210 4285 1 4 . 1 1 78 78 GLU C C 78 176.833 176.833 176.936 -0.103 18210 4286 1 4 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.795 0.855 18210 4287 1 4 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.808 0.876 18210 4288 1 4 . 1 1 79 79 ASN N N 79 114.719 114.719 117.189 -2.470 18210 4289 1 4 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.439 0.125 18210 4290 1 4 . 1 1 79 79 ASN C C 79 175.510 175.510 176.322 -0.812 18210 4291 1 4 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.064 -0.672 18210 4292 1 4 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.679 1.039 18210 4293 1 4 . 1 1 79 79 ASN H H 79 8.257 8.257 8.484 -0.227 18210 4294 1 4 . 1 1 80 80 LYS N N 80 118.906 118.906 120.657 -1.751 18210 4295 1 4 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.124 0.169 18210 4296 1 4 . 1 1 80 80 LYS C C 80 175.748 175.748 176.605 -0.857 18210 4297 1 4 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.873 -0.108 18210 4298 1 4 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.069 1.276 18210 4299 1 4 . 1 1 80 80 LYS H H 80 7.818 7.818 7.750 0.068 18210 4300 1 4 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.300 -0.150 18210 4301 1 4 . 1 1 81 81 LEU C C 81 174.688 174.688 174.778 -0.090 18210 4302 1 4 . 1 1 81 81 LEU CA C 81 54.522 54.522 54.065 0.457 18210 4303 1 4 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.148 -1.085 18210 4304 1 4 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.240 -0.071 18210 4305 1 4 . 1 1 82 82 LYS C C 82 175.701 175.701 175.931 -0.230 18210 4306 1 4 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.941 0.227 18210 4307 1 4 . 1 1 82 82 LYS CB C 82 30.017 30.017 31.272 -1.255 18210 4308 1 4 . 1 1 83 83 LEU N N 83 120.762 120.762 125.599 -4.837 18210 4309 1 4 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.425 -0.005 18210 4310 1 4 . 1 1 83 83 LEU C C 83 177.184 177.184 177.498 -0.314 18210 4311 1 4 . 1 1 83 83 LEU CA C 83 55.219 55.219 55.169 0.050 18210 4312 1 4 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.629 -0.318 18210 4313 1 4 . 1 1 83 83 LEU H H 83 7.485 7.485 7.734 -0.249 18210 4314 1 4 . 1 1 84 84 THR N N 84 110.955 110.955 113.228 -2.273 18210 4315 1 4 . 1 1 84 84 THR HA H 84 4.712 4.712 4.550 0.162 18210 4316 1 4 . 1 1 84 84 THR C C 84 173.001 173.001 173.415 -0.414 18210 4317 1 4 . 1 1 84 84 THR CA C 84 59.883 59.883 60.632 -0.749 18210 4318 1 4 . 1 1 84 84 THR CB C 84 71.825 71.825 72.374 -0.549 18210 4319 1 4 . 1 1 84 84 THR H H 84 8.519 8.519 8.383 0.136 18210 4320 1 4 . 1 1 85 85 ASN N N 85 117.589 117.589 116.760 0.829 18210 4321 1 4 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.397 -0.251 18210 4322 1 4 . 1 1 85 85 ASN C C 85 173.572 173.572 174.356 -0.784 18210 4323 1 4 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.990 0.329 18210 4324 1 4 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.027 1.881 18210 4325 1 4 . 1 1 85 85 ASN H H 85 8.850 8.850 8.832 0.018 18210 4326 1 4 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.454 -0.162 18210 4327 1 4 . 1 1 86 86 ILE C C 86 177.346 177.346 175.908 1.438 18210 4328 1 4 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.598 1.209 18210 4329 1 4 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.849 -0.150 18210 4330 1 4 . 1 1 87 87 ILE N N 87 131.807 131.807 128.947 2.860 18210 4331 1 4 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.517 -0.262 18210 4332 1 4 . 1 1 87 87 ILE C C 87 174.493 174.493 174.409 0.084 18210 4333 1 4 . 1 1 87 87 ILE CA C 87 60.152 60.152 59.992 0.161 18210 4334 1 4 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.366 1.744 18210 4335 1 4 . 1 1 87 87 ILE H H 87 9.166 9.166 8.985 0.181 18210 4336 1 4 . 1 1 88 88 MET HA H 88 4.017 4.017 4.541 -0.524 18210 4337 1 4 . 1 1 88 88 MET C C 88 173.613 173.613 174.322 -0.709 18210 4338 1 4 . 1 1 88 88 MET CA C 88 53.287 53.287 54.793 -1.506 18210 4339 1 4 . 1 1 88 88 MET CB C 88 33.478 33.478 34.541 -1.063 18210 4340 1 4 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.834 -0.137 18210 4341 1 4 . 1 1 89 89 ASP C C 89 176.750 176.750 175.936 0.814 18210 4342 1 4 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.780 -0.679 18210 4343 1 4 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.408 -1.217 18210 4344 1 4 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.364 0.077 18210 4345 1 4 . 1 1 90 90 HIS C C 90 175.625 175.625 176.023 -0.398 18210 4346 1 4 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.714 -0.460 18210 4347 1 4 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.241 -1.662 18210 4348 1 4 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.301 0.139 18210 4349 1 4 . 1 1 91 91 TYR C C 91 177.915 177.915 175.993 1.922 18210 4350 1 4 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.294 -0.534 18210 4351 1 4 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.664 -0.597 18210 4352 1 4 . 1 1 92 92 ASN N N 92 113.661 113.661 113.203 0.458 18210 4353 1 4 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.408 0.365 18210 4354 1 4 . 1 1 92 92 ASN C C 92 174.762 174.762 174.727 0.035 18210 4355 1 4 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.577 0.038 18210 4356 1 4 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.109 1.173 18210 4357 1 4 . 1 1 92 92 ASN H H 92 7.713 7.713 8.469 -0.756 18210 4358 1 4 . 1 1 93 93 ASN N N 93 125.176 125.176 114.450 10.726 18210 4359 1 4 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.347 0.362 18210 4360 1 4 . 1 1 93 93 ASN C C 93 172.729 172.729 173.229 -0.500 18210 4361 1 4 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.384 -1.649 18210 4362 1 4 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.611 1.350 18210 4363 1 4 . 1 1 93 93 ASN H H 93 7.804 7.804 7.879 -0.075 18210 4364 1 4 . 1 1 94 94 THR N N 94 109.900 109.900 112.299 -2.399 18210 4365 1 4 . 1 1 94 94 THR HA H 94 4.852 4.852 4.980 -0.128 18210 4366 1 4 . 1 1 94 94 THR C C 94 170.824 170.824 171.883 -1.059 18210 4367 1 4 . 1 1 94 94 THR CA C 94 61.817 61.817 60.281 1.536 18210 4368 1 4 . 1 1 94 94 THR CB C 94 71.074 71.074 71.241 -0.167 18210 4369 1 4 . 1 1 94 94 THR H H 94 7.654 7.654 7.301 0.353 18210 4370 1 4 . 1 1 95 95 PHE N N 95 126.721 126.721 125.434 1.287 18210 4371 1 4 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.356 -0.248 18210 4372 1 4 . 1 1 95 95 PHE C C 95 174.143 174.143 174.170 -0.027 18210 4373 1 4 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.508 0.061 18210 4374 1 4 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.704 0.089 18210 4375 1 4 . 1 1 95 95 PHE H H 95 8.166 8.166 7.590 0.576 18210 4376 1 4 . 1 1 96 96 TYR N N 96 115.709 115.709 120.229 -4.520 18210 4377 1 4 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.679 0.388 18210 4378 1 4 . 1 1 96 96 TYR C C 96 175.734 175.734 174.734 1.000 18210 4379 1 4 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.592 -0.160 18210 4380 1 4 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.864 1.303 18210 4381 1 4 . 1 1 96 96 TYR H H 96 9.149 9.149 8.651 0.498 18210 4382 1 4 . 1 1 97 97 SER N N 97 109.503 109.503 114.673 -5.170 18210 4383 1 4 . 1 1 97 97 SER HA H 97 4.430 4.430 5.315 -0.885 18210 4384 1 4 . 1 1 97 97 SER C C 97 170.684 170.684 173.010 -2.326 18210 4385 1 4 . 1 1 97 97 SER CA C 97 59.324 59.324 57.096 2.228 18210 4386 1 4 . 1 1 97 97 SER CB C 97 66.341 66.341 65.439 0.902 18210 4387 1 4 . 1 1 97 97 SER H H 97 8.921 8.921 9.375 -0.454 18210 4388 1 4 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.804 0.590 18210 4389 1 4 . 1 1 98 98 ARG C C 98 175.850 175.850 175.064 0.786 18210 4390 1 4 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.615 -0.439 18210 4391 1 4 . 1 1 98 98 ARG CB C 98 33.127 33.127 33.211 -0.084 18210 4392 1 4 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.708 -0.378 18210 4393 1 4 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.748 1.058 18210 4394 1 4 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.004 -1.101 18210 4395 1 4 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.365 0.311 18210 4396 1 4 . 1 1 100 100 PRO C C 100 175.744 175.744 176.988 -1.244 18210 4397 1 4 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.162 -0.873 18210 4398 1 4 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.667 0.118 18210 4399 1 4 . 1 1 101 101 SER HA H 101 4.126 4.126 4.331 -0.205 18210 4400 1 4 . 1 1 101 101 SER C C 101 173.214 173.214 173.799 -0.585 18210 4401 1 4 . 1 1 101 101 SER CA C 101 60.265 60.265 59.852 0.413 18210 4402 1 4 . 1 1 101 101 SER CB C 101 63.660 63.660 63.501 0.160 18210 4403 1 4 . 1 1 102 102 LEU N N 102 121.389 121.389 122.384 -0.995 18210 4404 1 4 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.542 -0.010 18210 4405 1 4 . 1 1 102 102 LEU C C 102 175.187 175.187 175.306 -0.119 18210 4406 1 4 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.501 0.186 18210 4407 1 4 . 1 1 102 102 LEU CB C 102 44.380 44.380 43.876 0.504 18210 4408 1 4 . 1 1 102 102 LEU H H 102 7.179 7.179 7.389 -0.210 18210 4409 1 4 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.472 -0.029 18210 4410 1 4 . 1 1 103 103 ILE C C 103 175.490 175.490 175.647 -0.157 18210 4411 1 4 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.363 -1.454 18210 4412 1 4 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.056 0.622 18210 4413 1 4 . 1 1 104 104 SER N N 104 120.807 120.807 119.646 1.161 18210 4414 1 4 . 1 1 104 104 SER HA H 104 4.581 4.581 4.602 -0.021 18210 4415 1 4 . 1 1 104 104 SER C C 104 173.234 173.234 174.148 -0.914 18210 4416 1 4 . 1 1 104 104 SER CA C 104 58.166 58.166 57.900 0.266 18210 4417 1 4 . 1 1 104 104 SER CB C 104 64.341 64.341 64.057 0.284 18210 4418 1 4 . 1 1 104 104 SER H H 104 8.471 8.471 8.319 0.152 18210 4419 1 4 . 1 1 105 105 ASP N N 105 119.103 119.103 122.470 -3.367 18210 4420 1 4 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.743 -0.094 18210 4421 1 4 . 1 1 105 105 ASP C C 105 174.991 174.991 175.688 -0.697 18210 4422 1 4 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.143 -0.409 18210 4423 1 4 . 1 1 105 105 ASP CB C 105 42.477 42.477 42.447 0.031 18210 4424 1 4 . 1 1 105 105 ASP H H 105 8.060 8.060 7.908 0.152 18210 4425 1 4 . 1 1 106 106 ASN N N 106 116.036 116.036 119.164 -3.128 18210 4426 1 4 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.765 -0.030 18210 4427 1 4 . 1 1 106 106 ASN C C 106 174.308 174.308 175.246 -0.938 18210 4428 1 4 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.872 0.908 18210 4429 1 4 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.511 0.511 18210 4430 1 4 . 1 1 106 106 ASN H H 106 8.389 8.389 8.426 -0.037 18210 4431 1 4 . 1 1 107 107 TRP N N 107 119.645 119.645 120.998 -1.353 18210 4432 1 4 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.681 0.148 18210 4433 1 4 . 1 1 107 107 TRP C C 107 174.949 174.949 175.034 -0.085 18210 4434 1 4 . 1 1 107 107 TRP CA C 107 56.192 56.192 57.052 -0.860 18210 4435 1 4 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.972 2.241 18210 4436 1 4 . 1 1 107 107 TRP H H 107 7.846 7.846 8.250 -0.404 18210 4437 1 4 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.686 0.776 18210 4438 1 4 . 1 1 108 108 LYS C C 108 174.986 174.986 174.650 0.336 18210 4439 1 4 . 1 1 108 108 LYS CA C 108 56.196 56.196 54.852 1.344 18210 4440 1 4 . 1 1 108 108 LYS CB C 108 36.215 36.215 36.420 -0.205 18210 4441 1 4 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.463 0.082 18210 4442 1 4 . 1 1 109 109 PHE C C 109 172.950 172.950 172.606 0.344 18210 4443 1 4 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.455 -0.035 18210 4444 1 4 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.386 -0.495 18210 4445 1 4 . 1 1 110 110 PHE N N 110 115.390 115.390 114.241 1.149 18210 4446 1 4 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.176 0.856 18210 4447 1 4 . 1 1 110 110 PHE C C 110 173.892 173.892 173.660 0.232 18210 4448 1 4 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.648 0.584 18210 4449 1 4 . 1 1 110 110 PHE CB C 110 43.366 43.366 41.027 2.339 18210 4450 1 4 . 1 1 110 110 PHE H H 110 9.267 9.267 7.670 1.597 18210 4451 1 4 . 1 1 111 111 CYS N N 111 116.463 116.463 117.231 -0.768 18210 4452 1 4 . 1 1 111 111 CYS HA H 111 5.061 5.061 5.005 0.056 18210 4453 1 4 . 1 1 111 111 CYS C C 111 171.900 171.900 173.089 -1.189 18210 4454 1 4 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.586 -3.734 18210 4455 1 4 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.562 16.268 18210 4456 1 4 . 1 1 111 111 CYS H H 111 9.274 9.274 8.736 0.538 18210 4457 1 4 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.218 -0.016 18210 4458 1 4 . 1 1 112 112 VAL C C 112 175.041 175.041 174.426 0.615 18210 4459 1 4 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.350 0.093 18210 4460 1 4 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.208 0.369 18210 4461 1 4 . 1 1 112 112 VAL H H 112 9.605 9.605 8.317 1.288 18210 4462 1 4 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.539 0.221 18210 4463 1 4 . 1 1 113 113 CYS C C 113 173.601 173.601 173.893 -0.292 18210 4464 1 4 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.581 -4.760 18210 4465 1 4 . 1 1 113 113 CYS CB C 113 43.946 43.946 30.113 13.833 18210 4466 1 4 . 1 1 114 114 SER N N 114 117.968 117.968 118.249 -0.281 18210 4467 1 4 . 1 1 114 114 SER HA H 114 5.093 5.093 5.033 0.060 18210 4468 1 4 . 1 1 114 114 SER C C 114 172.267 172.267 172.515 -0.248 18210 4469 1 4 . 1 1 114 114 SER CA C 114 56.677 56.677 58.133 -1.456 18210 4470 1 4 . 1 1 114 114 SER CB C 114 66.795 66.795 65.415 1.380 18210 4471 1 4 . 1 1 114 114 SER H H 114 9.250 9.250 9.307 -0.057 18210 4472 1 4 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.421 -0.315 18210 4473 1 4 . 1 1 115 115 LYS C C 115 174.527 174.527 174.285 0.242 18210 4474 1 4 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.377 0.545 18210 4475 1 4 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.023 -2.014 18210 4476 1 4 . 1 1 115 115 LYS H H 115 8.705 8.705 8.486 0.219 18210 4477 1 4 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.526 -0.335 18210 4478 1 4 . 1 1 116 116 ASP C C 116 176.002 176.002 176.698 -0.696 18210 4479 1 4 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.311 1.003 18210 4480 1 4 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.978 -0.531 18210 4481 1 4 . 1 1 117 117 ASN N N 117 116.913 116.913 119.138 -2.225 18210 4482 1 4 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.193 0.246 18210 4483 1 4 . 1 1 117 117 ASN C C 117 174.246 174.246 173.517 0.729 18210 4484 1 4 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.563 -0.130 18210 4485 1 4 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.056 0.126 18210 4486 1 4 . 1 1 117 117 ASN H H 117 8.752 8.752 8.600 0.152 18210 4487 1 4 . 1 1 118 118 GLU N N 118 116.615 116.615 118.131 -1.516 18210 4488 1 4 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.482 0.278 18210 4489 1 4 . 1 1 118 118 GLU C C 118 177.397 177.397 175.846 1.551 18210 4490 1 4 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.402 -1.093 18210 4491 1 4 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.290 -2.199 18210 4492 1 4 . 1 1 118 118 GLU H H 118 7.819 7.819 8.219 -0.400 18210 4493 1 4 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.164 0.001 18210 4494 1 4 . 1 1 119 119 LYS C C 119 177.626 177.626 176.492 1.134 18210 4495 1 4 . 1 1 119 119 LYS CA C 119 57.540 57.540 57.089 0.451 18210 4496 1 4 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.899 -0.054 18210 4497 1 4 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.543 -0.238 18210 4498 1 4 . 1 1 120 120 LYS C C 120 174.312 174.312 175.446 -1.134 18210 4499 1 4 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.368 1.738 18210 4500 1 4 . 1 1 120 120 LYS CB C 120 33.188 33.188 34.275 -1.087 18210 4501 1 4 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.322 0.237 18210 4502 1 4 . 1 1 121 121 LEU C C 121 174.893 174.893 175.063 -0.170 18210 4503 1 4 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.556 -0.952 18210 4504 1 4 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.726 -3.120 18210 4505 1 4 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.646 -0.285 18210 4506 1 4 . 1 1 122 122 VAL C C 122 173.909 173.909 174.405 -0.496 18210 4507 1 4 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.047 0.981 18210 4508 1 4 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.841 -0.247 18210 4509 1 4 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.859 0.316 18210 4510 1 4 . 1 1 123 123 PHE C C 123 173.230 173.230 172.971 0.259 18210 4511 1 4 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.100 0.214 18210 4512 1 4 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.269 -0.437 18210 4513 1 4 . 1 1 124 124 THR N N 124 121.688 121.688 123.437 -1.749 18210 4514 1 4 . 1 1 124 124 THR HA H 124 4.885 4.885 4.682 0.203 18210 4515 1 4 . 1 1 124 124 THR C C 124 170.874 170.874 172.072 -1.198 18210 4516 1 4 . 1 1 124 124 THR CA C 124 60.087 60.087 59.434 0.653 18210 4517 1 4 . 1 1 124 124 THR CB C 124 70.942 70.942 71.085 -0.143 18210 4518 1 4 . 1 1 124 124 THR H H 124 8.493 8.493 8.232 0.261 18210 4519 1 4 . 1 1 125 125 VAL N N 125 125.781 125.781 121.273 4.508 18210 4520 1 4 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.095 -0.579 18210 4521 1 4 . 1 1 125 125 VAL C C 125 173.796 173.796 172.957 0.839 18210 4522 1 4 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.205 1.587 18210 4523 1 4 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.178 -1.944 18210 4524 1 4 . 1 1 125 125 VAL H H 125 8.275 8.275 7.841 0.434 18210 4525 1 4 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.892 -0.003 18210 4526 1 4 . 1 1 126 126 GLU C C 126 173.519 173.519 174.370 -0.851 18210 4527 1 4 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.174 -0.208 18210 4528 1 4 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.538 -0.576 18210 4529 1 4 . 1 1 126 126 GLU H H 126 8.262 8.262 7.957 0.305 18210 4530 1 5 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.350 -0.181 18210 4531 1 5 . 1 1 2 2 LYS C C 2 176.160 176.160 175.641 0.519 18210 4532 1 5 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.656 0.309 18210 4533 1 5 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.598 -0.333 18210 4534 1 5 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.210 -0.297 18210 4535 1 5 . 1 1 3 3 VAL C C 3 175.820 175.820 175.624 0.196 18210 4536 1 5 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.001 1.487 18210 4537 1 5 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.257 0.523 18210 4538 1 5 . 1 1 4 4 LYS N N 4 129.029 129.029 128.718 0.311 18210 4539 1 5 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.538 -0.031 18210 4540 1 5 . 1 1 4 4 LYS C C 4 174.923 174.923 175.744 -0.821 18210 4541 1 5 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.657 0.646 18210 4542 1 5 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.554 -0.304 18210 4543 1 5 . 1 1 4 4 LYS H H 4 8.507 8.507 8.358 0.149 18210 4544 1 5 . 1 1 5 5 GLY N N 5 110.242 110.242 109.601 0.641 18210 4545 1 5 . 1 1 5 5 GLY C C 5 173.333 173.333 171.857 1.476 18210 4546 1 5 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.370 0.894 18210 4547 1 5 . 1 1 5 5 GLY H H 5 8.138 8.138 8.052 0.086 18210 4548 1 5 . 1 1 6 6 CYS N N 6 114.306 114.306 120.019 -5.713 18210 4549 1 5 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.049 0.202 18210 4550 1 5 . 1 1 6 6 CYS C C 6 170.891 170.891 172.903 -2.012 18210 4551 1 5 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.396 -2.546 18210 4552 1 5 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.612 21.538 18210 4553 1 5 . 1 1 6 6 CYS H H 6 6.750 6.750 8.170 -1.420 18210 4554 1 5 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.089 -0.341 18210 4555 1 5 . 1 1 7 7 ASP C C 7 175.607 175.607 175.555 0.052 18210 4556 1 5 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.242 -0.004 18210 4557 1 5 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.263 -0.646 18210 4558 1 5 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.583 0.294 18210 4559 1 5 . 1 1 8 8 PHE C C 8 173.972 173.972 175.782 -1.810 18210 4560 1 5 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.785 0.670 18210 4561 1 5 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.980 0.240 18210 4562 1 5 . 1 1 9 9 THR N N 9 105.421 105.421 113.025 -7.604 18210 4563 1 5 . 1 1 9 9 THR HA H 9 4.611 4.611 4.492 0.119 18210 4564 1 5 . 1 1 9 9 THR C C 9 174.505 174.505 174.532 -0.027 18210 4565 1 5 . 1 1 9 9 THR CA C 9 61.988 61.988 63.672 -1.685 18210 4566 1 5 . 1 1 9 9 THR CB C 9 70.385 70.385 70.522 -0.136 18210 4567 1 5 . 1 1 9 9 THR H H 9 8.996 8.996 9.012 -0.016 18210 4568 1 5 . 1 1 10 10 THR N N 10 118.757 118.757 115.557 3.200 18210 4569 1 5 . 1 1 10 10 THR HA H 10 4.526 4.526 4.663 -0.137 18210 4570 1 5 . 1 1 10 10 THR C C 10 171.202 171.202 173.826 -2.624 18210 4571 1 5 . 1 1 10 10 THR CA C 10 60.774 60.774 61.388 -0.614 18210 4572 1 5 . 1 1 10 10 THR CB C 10 68.040 68.040 72.463 -4.423 18210 4573 1 5 . 1 1 10 10 THR H H 10 7.199 7.199 7.494 -0.295 18210 4574 1 5 . 1 1 11 11 SER N N 11 117.117 117.117 117.892 -0.775 18210 4575 1 5 . 1 1 11 11 SER HA H 11 3.907 3.907 4.301 -0.394 18210 4576 1 5 . 1 1 11 11 SER C C 11 174.988 174.988 174.985 0.003 18210 4577 1 5 . 1 1 11 11 SER CA C 11 59.563 59.563 61.133 -1.570 18210 4578 1 5 . 1 1 11 11 SER CB C 11 63.599 63.599 63.501 0.098 18210 4579 1 5 . 1 1 11 11 SER H H 11 7.997 7.997 8.637 -0.640 18210 4580 1 5 . 1 1 12 12 GLU N N 12 125.013 125.013 120.367 4.646 18210 4581 1 5 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.443 0.122 18210 4582 1 5 . 1 1 12 12 GLU C C 12 175.108 175.108 174.751 0.357 18210 4583 1 5 . 1 1 12 12 GLU CA C 12 54.259 54.259 54.861 -0.602 18210 4584 1 5 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.773 0.155 18210 4585 1 5 . 1 1 12 12 GLU H H 12 8.375 8.375 8.238 0.137 18210 4586 1 5 . 1 1 13 13 SER N N 13 114.959 114.959 118.548 -3.589 18210 4587 1 5 . 1 1 13 13 SER HA H 13 4.130 4.130 4.488 -0.358 18210 4588 1 5 . 1 1 13 13 SER C C 13 176.833 176.833 174.746 2.087 18210 4589 1 5 . 1 1 13 13 SER CA C 13 58.707 58.707 59.010 -0.303 18210 4590 1 5 . 1 1 13 13 SER CB C 13 63.598 63.598 63.958 -0.360 18210 4591 1 5 . 1 1 13 13 SER H H 13 7.879 7.879 8.225 -0.346 18210 4592 1 5 . 1 1 14 14 THR N N 14 117.688 117.688 118.819 -1.131 18210 4593 1 5 . 1 1 14 14 THR HA H 14 4.348 4.348 4.247 0.101 18210 4594 1 5 . 1 1 14 14 THR C C 14 174.550 174.550 174.960 -0.410 18210 4595 1 5 . 1 1 14 14 THR CA C 14 62.435 62.435 63.902 -1.467 18210 4596 1 5 . 1 1 14 14 THR CB C 14 69.114 69.114 68.913 0.201 18210 4597 1 5 . 1 1 14 14 THR H H 14 8.978 8.978 8.713 0.265 18210 4598 1 5 . 1 1 15 15 ILE N N 15 118.851 118.851 111.958 6.893 18210 4599 1 5 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.260 -0.222 18210 4600 1 5 . 1 1 15 15 ILE C C 15 175.389 175.389 173.859 1.530 18210 4601 1 5 . 1 1 15 15 ILE CA C 15 62.700 62.700 61.087 1.613 18210 4602 1 5 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.332 2.115 18210 4603 1 5 . 1 1 15 15 ILE H H 15 7.947 7.947 7.666 0.281 18210 4604 1 5 . 1 1 16 16 PHE N N 16 116.409 116.409 118.960 -2.551 18210 4605 1 5 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.482 0.036 18210 4606 1 5 . 1 1 16 16 PHE C C 16 176.700 176.700 175.998 0.702 18210 4607 1 5 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.643 0.819 18210 4608 1 5 . 1 1 16 16 PHE CB C 16 42.712 42.712 41.154 1.558 18210 4609 1 5 . 1 1 16 16 PHE H H 16 7.792 7.792 7.476 0.316 18210 4610 1 5 . 1 1 17 17 SER N N 17 114.126 114.126 116.705 -2.579 18210 4611 1 5 . 1 1 17 17 SER HA H 17 3.984 3.984 4.324 -0.340 18210 4612 1 5 . 1 1 17 17 SER C C 17 174.203 174.203 174.696 -0.493 18210 4613 1 5 . 1 1 17 17 SER CA C 17 61.176 61.176 60.749 0.427 18210 4614 1 5 . 1 1 17 17 SER CB C 17 63.438 63.438 63.550 -0.112 18210 4615 1 5 . 1 1 17 17 SER H H 17 8.666 8.666 8.602 0.064 18210 4616 1 5 . 1 1 18 18 LYS N N 18 122.828 122.828 119.904 2.924 18210 4617 1 5 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.545 0.213 18210 4618 1 5 . 1 1 18 18 LYS C C 18 174.029 174.029 175.096 -1.067 18210 4619 1 5 . 1 1 18 18 LYS CA C 18 55.661 55.661 54.855 0.805 18210 4620 1 5 . 1 1 18 18 LYS CB C 18 35.049 35.049 35.468 -0.419 18210 4621 1 5 . 1 1 18 18 LYS H H 18 8.031 8.031 7.321 0.710 18210 4622 1 5 . 1 1 19 19 GLY N N 19 112.051 112.051 108.485 3.566 18210 4623 1 5 . 1 1 19 19 GLY C C 19 172.307 172.307 172.516 -0.209 18210 4624 1 5 . 1 1 19 19 GLY CA C 19 44.946 44.946 45.289 -0.343 18210 4625 1 5 . 1 1 19 19 GLY H H 19 8.092 8.092 8.005 0.087 18210 4626 1 5 . 1 1 20 20 TYR N N 20 120.060 120.060 118.870 1.190 18210 4627 1 5 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.665 -0.095 18210 4628 1 5 . 1 1 20 20 TYR C C 20 173.557 173.557 174.107 -0.550 18210 4629 1 5 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.236 0.276 18210 4630 1 5 . 1 1 20 20 TYR CB C 20 43.091 43.091 43.111 -0.020 18210 4631 1 5 . 1 1 20 20 TYR H H 20 7.968 7.968 8.912 -0.944 18210 4632 1 5 . 1 1 21 21 SER N N 21 115.201 115.201 114.867 0.334 18210 4633 1 5 . 1 1 21 21 SER HA H 21 4.562 4.562 4.698 -0.136 18210 4634 1 5 . 1 1 21 21 SER C C 21 176.172 176.172 176.344 -0.172 18210 4635 1 5 . 1 1 21 21 SER CA C 21 56.537 56.537 55.880 0.656 18210 4636 1 5 . 1 1 21 21 SER CB C 21 65.257 65.257 64.814 0.443 18210 4637 1 5 . 1 1 21 21 SER H H 21 8.761 8.761 8.511 0.250 18210 4638 1 5 . 1 1 22 22 ILE N N 22 122.867 122.867 121.550 1.317 18210 4639 1 5 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.834 0.325 18210 4640 1 5 . 1 1 22 22 ILE C C 22 177.561 177.561 177.164 0.397 18210 4641 1 5 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.784 -1.071 18210 4642 1 5 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.790 0.065 18210 4643 1 5 . 1 1 22 22 ILE H H 22 8.646 8.646 8.645 0.001 18210 4644 1 5 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.465 0.080 18210 4645 1 5 . 1 1 23 23 ASN C C 23 176.647 176.647 177.846 -1.199 18210 4646 1 5 . 1 1 23 23 ASN CA C 23 55.506 55.506 56.433 -0.927 18210 4647 1 5 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.274 0.179 18210 4648 1 5 . 1 1 24 24 GLU N N 24 118.601 118.601 119.115 -0.514 18210 4649 1 5 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.151 0.135 18210 4650 1 5 . 1 1 24 24 GLU C C 24 177.998 177.998 178.863 -0.865 18210 4651 1 5 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.145 -0.839 18210 4652 1 5 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.722 0.936 18210 4653 1 5 . 1 1 24 24 GLU H H 24 7.837 7.837 7.678 0.159 18210 4654 1 5 . 1 1 25 25 ILE HA H 25 4.173 4.173 3.991 0.182 18210 4655 1 5 . 1 1 25 25 ILE C C 25 176.641 176.641 177.285 -0.644 18210 4656 1 5 . 1 1 25 25 ILE CA C 25 62.612 62.612 63.287 -0.675 18210 4657 1 5 . 1 1 25 25 ILE CB C 25 38.360 38.360 37.849 0.511 18210 4658 1 5 . 1 1 26 26 SER N N 26 116.293 116.293 116.766 -0.473 18210 4659 1 5 . 1 1 26 26 SER HA H 26 4.663 4.663 4.399 0.264 18210 4660 1 5 . 1 1 26 26 SER C C 26 174.462 174.462 174.922 -0.460 18210 4661 1 5 . 1 1 26 26 SER CA C 26 58.392 58.392 60.477 -2.085 18210 4662 1 5 . 1 1 26 26 SER CB C 26 64.380 64.380 63.725 0.655 18210 4663 1 5 . 1 1 26 26 SER H H 26 7.813 7.813 8.342 -0.529 18210 4664 1 5 . 1 1 27 27 ASN N N 27 121.919 121.919 122.166 -0.247 18210 4665 1 5 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.521 0.200 18210 4666 1 5 . 1 1 27 27 ASN C C 27 175.869 175.869 174.620 1.249 18210 4667 1 5 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.223 0.787 18210 4668 1 5 . 1 1 27 27 ASN CB C 27 38.640 38.640 38.119 0.521 18210 4669 1 5 . 1 1 27 27 ASN H H 27 8.521 8.521 7.805 0.716 18210 4670 1 5 . 1 1 28 28 LYS N N 28 121.697 121.697 124.046 -2.349 18210 4671 1 5 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.089 0.271 18210 4672 1 5 . 1 1 28 28 LYS C C 28 176.952 176.952 175.996 0.956 18210 4673 1 5 . 1 1 28 28 LYS CA C 28 56.967 56.967 57.592 -0.625 18210 4674 1 5 . 1 1 28 28 LYS CB C 28 32.730 32.730 31.408 1.322 18210 4675 1 5 . 1 1 28 28 LYS H H 28 8.367 8.367 8.436 -0.069 18210 4676 1 5 . 1 1 29 29 SER HA H 29 4.498 4.498 4.531 -0.033 18210 4677 1 5 . 1 1 29 29 SER C C 29 174.741 174.741 173.602 1.139 18210 4678 1 5 . 1 1 29 29 SER CA C 29 58.557 58.557 58.071 0.486 18210 4679 1 5 . 1 1 29 29 SER CB C 29 63.945 63.945 63.753 0.192 18210 4680 1 5 . 1 1 30 30 SER N N 30 116.470 116.470 117.323 -0.853 18210 4681 1 5 . 1 1 30 30 SER HA H 30 4.429 4.429 4.474 -0.045 18210 4682 1 5 . 1 1 30 30 SER C C 30 174.467 174.467 175.830 -1.363 18210 4683 1 5 . 1 1 30 30 SER CA C 30 58.616 58.616 57.467 1.149 18210 4684 1 5 . 1 1 30 30 SER CB C 30 63.834 63.834 64.459 -0.625 18210 4685 1 5 . 1 1 30 30 SER H H 30 8.140 8.140 7.919 0.221 18210 4686 1 5 . 1 1 31 31 ASN N N 31 119.457 119.457 121.560 -2.103 18210 4687 1 5 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.502 0.195 18210 4688 1 5 . 1 1 31 31 ASN C C 31 174.930 174.930 175.747 -0.817 18210 4689 1 5 . 1 1 31 31 ASN CA C 31 53.583 53.583 54.919 -1.336 18210 4690 1 5 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.289 0.444 18210 4691 1 5 . 1 1 31 31 ASN H H 31 8.354 8.354 8.846 -0.492 18210 4692 1 5 . 1 1 32 32 ASN N N 32 118.038 118.038 119.919 -1.881 18210 4693 1 5 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.695 0.003 18210 4694 1 5 . 1 1 32 32 ASN C C 32 174.979 174.979 175.009 -0.030 18210 4695 1 5 . 1 1 32 32 ASN CA C 32 53.580 53.580 52.583 0.997 18210 4696 1 5 . 1 1 32 32 ASN CB C 32 38.810 38.810 38.746 0.064 18210 4697 1 5 . 1 1 32 32 ASN H H 32 8.218 8.218 7.976 0.242 18210 4698 1 5 . 1 1 33 33 GLN N N 33 119.603 119.603 117.892 1.711 18210 4699 1 5 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.238 0.115 18210 4700 1 5 . 1 1 33 33 GLN C C 33 175.735 175.735 176.940 -1.205 18210 4701 1 5 . 1 1 33 33 GLN CA C 33 55.883 55.883 56.291 -0.408 18210 4702 1 5 . 1 1 33 33 GLN CB C 33 29.131 29.131 29.012 0.119 18210 4703 1 5 . 1 1 33 33 GLN H H 33 8.337 8.337 8.302 0.035 18210 4704 1 5 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.161 0.117 18210 4705 1 5 . 1 1 34 34 GLN C C 34 175.170 175.170 174.167 1.003 18210 4706 1 5 . 1 1 34 34 GLN CA C 34 56.102 56.102 56.051 0.051 18210 4707 1 5 . 1 1 34 34 GLN CB C 34 29.870 29.870 26.665 3.205 18210 4708 1 5 . 1 1 34 34 GLN H H 34 8.087 8.087 8.649 -0.562 18210 4709 1 5 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.170 -0.450 18210 4710 1 5 . 1 1 35 35 ASP C C 35 175.810 175.810 174.834 0.976 18210 4711 1 5 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.154 1.138 18210 4712 1 5 . 1 1 35 35 ASP CB C 35 41.462 41.462 43.203 -1.741 18210 4713 1 5 . 1 1 35 35 ASP H H 35 8.033 8.033 8.207 -0.174 18210 4714 1 5 . 1 1 36 36 ILE N N 36 122.378 122.378 125.705 -3.327 18210 4715 1 5 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.161 -0.097 18210 4716 1 5 . 1 1 36 36 ILE C C 36 173.823 173.823 174.301 -0.478 18210 4717 1 5 . 1 1 36 36 ILE CA C 36 60.506 60.506 58.900 1.606 18210 4718 1 5 . 1 1 36 36 ILE CB C 36 37.712 37.712 38.293 -0.581 18210 4719 1 5 . 1 1 36 36 ILE H H 36 8.421 8.421 8.671 -0.250 18210 4720 1 5 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.844 -0.337 18210 4721 1 5 . 1 1 37 37 VAL C C 37 174.956 174.956 175.690 -0.734 18210 4722 1 5 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.769 0.766 18210 4723 1 5 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.419 -1.487 18210 4724 1 5 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.708 0.073 18210 4725 1 5 . 1 1 38 38 CYS C C 38 172.106 172.106 174.316 -2.210 18210 4726 1 5 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.310 -3.092 18210 4727 1 5 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.259 23.698 18210 4728 1 5 . 1 1 39 39 THR N N 39 123.385 123.385 122.704 0.681 18210 4729 1 5 . 1 1 39 39 THR HA H 39 4.998 4.998 4.962 0.036 18210 4730 1 5 . 1 1 39 39 THR C C 39 174.687 174.687 174.203 0.484 18210 4731 1 5 . 1 1 39 39 THR CA C 39 61.514 61.514 62.469 -0.955 18210 4732 1 5 . 1 1 39 39 THR CB C 39 69.880 69.880 69.299 0.581 18210 4733 1 5 . 1 1 39 39 THR H H 39 8.229 8.229 8.537 -0.308 18210 4734 1 5 . 1 1 40 40 VAL N N 40 125.782 125.782 121.583 4.199 18210 4735 1 5 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.718 -0.438 18210 4736 1 5 . 1 1 40 40 VAL C C 40 173.622 173.622 173.536 0.086 18210 4737 1 5 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.239 1.168 18210 4738 1 5 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.462 -0.662 18210 4739 1 5 . 1 1 40 40 VAL H H 40 8.892 8.892 8.120 0.772 18210 4740 1 5 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.536 0.369 18210 4741 1 5 . 1 1 41 41 LYS C C 41 175.624 175.624 175.814 -0.190 18210 4742 1 5 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.371 -1.125 18210 4743 1 5 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.446 -1.544 18210 4744 1 5 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.573 -0.266 18210 4745 1 5 . 1 1 42 42 ALA C C 42 175.028 175.028 175.345 -0.317 18210 4746 1 5 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.330 0.214 18210 4747 1 5 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.277 0.956 18210 4748 1 5 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.821 -0.042 18210 4749 1 5 . 1 1 43 43 HIS C C 43 172.767 172.767 174.388 -1.621 18210 4750 1 5 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.692 -2.091 18210 4751 1 5 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.871 -2.572 18210 4752 1 5 . 1 1 43 43 HIS H H 43 8.722 8.722 8.711 0.011 18210 4753 1 5 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.114 -0.074 18210 4754 1 5 . 1 1 44 44 ALA C C 44 178.087 178.087 177.858 0.229 18210 4755 1 5 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.562 -0.700 18210 4756 1 5 . 1 1 44 44 ALA CB C 44 19.024 19.024 19.191 -0.167 18210 4757 1 5 . 1 1 44 44 ALA H H 44 8.468 8.468 8.138 0.330 18210 4758 1 5 . 1 1 45 45 ASN N N 45 113.483 113.483 114.938 -1.455 18210 4759 1 5 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.847 -0.505 18210 4760 1 5 . 1 1 45 45 ASN C C 45 174.441 174.441 175.076 -0.635 18210 4761 1 5 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.854 1.474 18210 4762 1 5 . 1 1 45 45 ASN CB C 45 38.679 38.679 40.108 -1.429 18210 4763 1 5 . 1 1 45 45 ASN H H 45 7.356 7.356 8.292 -0.936 18210 4764 1 5 . 1 1 46 46 ASP N N 46 120.941 120.941 120.672 0.269 18210 4765 1 5 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.793 -0.202 18210 4766 1 5 . 1 1 46 46 ASP C C 46 175.724 175.724 175.816 -0.092 18210 4767 1 5 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.377 1.792 18210 4768 1 5 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.381 0.138 18210 4769 1 5 . 1 1 46 46 ASP H H 46 7.959 7.959 7.950 0.009 18210 4770 1 5 . 1 1 47 47 LEU N N 47 123.735 123.735 121.550 2.185 18210 4771 1 5 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.434 0.542 18210 4772 1 5 . 1 1 47 47 LEU C C 47 175.735 175.735 176.869 -1.134 18210 4773 1 5 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.856 -0.165 18210 4774 1 5 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.791 0.775 18210 4775 1 5 . 1 1 47 47 LEU H H 47 8.156 8.156 8.560 -0.404 18210 4776 1 5 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.726 0.545 18210 4777 1 5 . 1 1 48 48 ILE C C 48 175.979 175.979 175.334 0.645 18210 4778 1 5 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.887 0.066 18210 4779 1 5 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.593 2.545 18210 4780 1 5 . 1 1 49 49 GLY N N 49 102.726 102.726 110.890 -8.164 18210 4781 1 5 . 1 1 49 49 GLY C C 49 169.506 169.506 171.745 -2.239 18210 4782 1 5 . 1 1 49 49 GLY CA C 49 48.190 48.190 46.004 2.187 18210 4783 1 5 . 1 1 49 49 GLY H H 49 7.900 7.900 8.444 -0.544 18210 4784 1 5 . 1 1 50 50 PHE N N 50 111.884 111.884 113.562 -1.678 18210 4785 1 5 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.507 0.406 18210 4786 1 5 . 1 1 50 50 PHE C C 50 171.823 171.823 171.936 -0.113 18210 4787 1 5 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.572 -0.845 18210 4788 1 5 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.585 0.444 18210 4789 1 5 . 1 1 50 50 PHE H H 50 8.248 8.248 7.848 0.400 18210 4790 1 5 . 1 1 51 51 LYS N N 51 117.924 117.924 119.169 -1.245 18210 4791 1 5 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.230 0.154 18210 4792 1 5 . 1 1 51 51 LYS C C 51 176.140 176.140 174.492 1.648 18210 4793 1 5 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.976 -0.555 18210 4794 1 5 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.306 0.614 18210 4795 1 5 . 1 1 51 51 LYS H H 51 7.857 7.857 7.931 -0.074 18210 4796 1 5 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.134 -0.113 18210 4797 1 5 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.846 -4.655 18210 4798 1 5 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.045 11.142 18210 4799 1 5 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.408 -0.031 18210 4800 1 5 . 1 1 53 53 PRO C C 53 177.624 177.624 177.363 0.261 18210 4801 1 5 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.388 -0.818 18210 4802 1 5 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.325 -1.069 18210 4803 1 5 . 1 1 54 54 SER HA H 54 4.106 4.106 4.232 -0.126 18210 4804 1 5 . 1 1 54 54 SER C C 54 174.271 174.271 174.541 -0.270 18210 4805 1 5 . 1 1 54 54 SER CA C 54 61.221 61.221 60.550 0.671 18210 4806 1 5 . 1 1 54 54 SER CB C 54 63.243 63.243 63.035 0.208 18210 4807 1 5 . 1 1 55 55 ASN N N 55 115.116 115.116 116.678 -1.562 18210 4808 1 5 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.911 -0.238 18210 4809 1 5 . 1 1 55 55 ASN C C 55 174.556 174.556 174.512 0.044 18210 4810 1 5 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.526 0.338 18210 4811 1 5 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.998 -2.074 18210 4812 1 5 . 1 1 55 55 ASN H H 55 8.712 8.712 8.435 0.277 18210 4813 1 5 . 1 1 56 56 TYR N N 56 120.489 120.489 119.873 0.616 18210 4814 1 5 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.526 0.166 18210 4815 1 5 . 1 1 56 56 TYR C C 56 176.019 176.019 175.036 0.983 18210 4816 1 5 . 1 1 56 56 TYR CA C 56 57.469 57.469 58.362 -0.893 18210 4817 1 5 . 1 1 56 56 TYR CB C 56 38.698 38.698 40.833 -2.135 18210 4818 1 5 . 1 1 56 56 TYR H H 56 7.637 7.637 7.700 -0.063 18210 4819 1 5 . 1 1 57 57 SER N N 57 117.381 117.381 116.529 0.852 18210 4820 1 5 . 1 1 57 57 SER HA H 57 4.915 4.915 4.848 0.067 18210 4821 1 5 . 1 1 57 57 SER C C 57 173.649 173.649 173.612 0.037 18210 4822 1 5 . 1 1 57 57 SER CA C 57 57.586 57.586 57.681 -0.095 18210 4823 1 5 . 1 1 57 57 SER CB C 57 64.766 64.766 64.640 0.126 18210 4824 1 5 . 1 1 57 57 SER H H 57 9.323 9.323 8.362 0.961 18210 4825 1 5 . 1 1 58 58 VAL N N 58 125.696 125.696 120.887 4.809 18210 4826 1 5 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.394 0.418 18210 4827 1 5 . 1 1 58 58 VAL C C 58 174.911 174.911 175.450 -0.539 18210 4828 1 5 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.364 0.525 18210 4829 1 5 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.196 0.989 18210 4830 1 5 . 1 1 58 58 VAL H H 58 8.474 8.474 8.911 -0.437 18210 4831 1 5 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.969 -0.309 18210 4832 1 5 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.474 0.125 18210 4833 1 5 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.343 -0.433 18210 4834 1 5 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.630 0.070 18210 4835 1 5 . 1 1 60 60 PRO C C 60 176.708 176.708 176.351 0.357 18210 4836 1 5 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.067 -0.336 18210 4837 1 5 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.441 1.565 18210 4838 1 5 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.626 -0.263 18210 4839 1 5 . 1 1 61 61 HIS C C 61 174.320 174.320 174.560 -0.240 18210 4840 1 5 . 1 1 61 61 HIS CA C 61 58.473 58.473 57.503 0.970 18210 4841 1 5 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.099 -2.584 18210 4842 1 5 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.691 0.352 18210 4843 1 5 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.285 -1.947 18210 4844 1 5 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.319 -0.810 18210 4845 1 5 . 1 1 63 63 CYS N N 63 120.346 120.346 118.019 2.327 18210 4846 1 5 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.874 -0.651 18210 4847 1 5 . 1 1 63 63 CYS C C 63 171.976 171.976 175.336 -3.360 18210 4848 1 5 . 1 1 63 63 CYS CA C 63 59.504 59.504 59.505 -0.001 18210 4849 1 5 . 1 1 63 63 CYS CB C 63 41.081 41.081 28.504 12.577 18210 4850 1 5 . 1 1 63 63 CYS H H 63 6.446 6.446 8.226 -1.780 18210 4851 1 5 . 1 1 64 64 PHE N N 64 116.155 116.155 117.742 -1.587 18210 4852 1 5 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.434 -0.214 18210 4853 1 5 . 1 1 64 64 PHE C C 64 177.110 177.110 176.974 0.136 18210 4854 1 5 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.069 0.521 18210 4855 1 5 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.908 3.241 18210 4856 1 5 . 1 1 64 64 PHE H H 64 7.697 7.697 7.754 -0.057 18210 4857 1 5 . 1 1 65 65 VAL N N 65 119.794 119.794 119.325 0.469 18210 4858 1 5 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.713 0.252 18210 4859 1 5 . 1 1 65 65 VAL C C 65 176.948 176.948 176.048 0.900 18210 4860 1 5 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.833 1.130 18210 4861 1 5 . 1 1 65 65 VAL CB C 65 31.084 31.084 32.046 -0.962 18210 4862 1 5 . 1 1 65 65 VAL H H 65 8.449 8.449 6.952 1.497 18210 4863 1 5 . 1 1 66 66 SER N N 66 113.648 113.648 112.273 1.375 18210 4864 1 5 . 1 1 66 66 SER HA H 66 5.041 5.041 4.917 0.124 18210 4865 1 5 . 1 1 66 66 SER C C 66 173.905 173.905 172.681 1.224 18210 4866 1 5 . 1 1 66 66 SER CA C 66 56.701 56.701 56.797 -0.096 18210 4867 1 5 . 1 1 66 66 SER CB C 66 65.738 65.738 63.880 1.858 18210 4868 1 5 . 1 1 66 66 SER H H 66 7.706 7.706 7.577 0.129 18210 4869 1 5 . 1 1 67 67 ALA N N 67 115.370 115.370 127.529 -12.159 18210 4870 1 5 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.340 -0.296 18210 4871 1 5 . 1 1 67 67 ALA C C 67 175.316 175.316 174.501 0.815 18210 4872 1 5 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.652 0.470 18210 4873 1 5 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.980 2.847 18210 4874 1 5 . 1 1 67 67 ALA H H 67 9.280 9.280 8.255 1.025 18210 4875 1 5 . 1 1 68 68 PHE N N 68 116.820 116.820 117.147 -0.327 18210 4876 1 5 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.209 -0.210 18210 4877 1 5 . 1 1 68 68 PHE C C 68 176.533 176.533 176.472 0.061 18210 4878 1 5 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.769 0.769 18210 4879 1 5 . 1 1 68 68 PHE CB C 68 38.964 38.964 40.230 -1.266 18210 4880 1 5 . 1 1 68 68 PHE H H 68 8.520 8.520 8.579 -0.059 18210 4881 1 5 . 1 1 69 69 ASN N N 69 118.203 118.203 119.729 -1.526 18210 4882 1 5 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.838 0.204 18210 4883 1 5 . 1 1 69 69 ASN C C 69 176.820 176.820 177.325 -0.505 18210 4884 1 5 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.428 -1.392 18210 4885 1 5 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.509 -0.015 18210 4886 1 5 . 1 1 69 69 ASN H H 69 8.498 8.498 8.666 -0.168 18210 4887 1 5 . 1 1 70 70 LEU N N 70 118.189 118.189 120.381 -2.192 18210 4888 1 5 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.475 -0.196 18210 4889 1 5 . 1 1 70 70 LEU C C 70 178.484 178.484 178.068 0.416 18210 4890 1 5 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.646 0.118 18210 4891 1 5 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.750 -0.112 18210 4892 1 5 . 1 1 70 70 LEU H H 70 8.514 8.514 8.744 -0.230 18210 4893 1 5 . 1 1 71 71 SER N N 71 113.939 113.939 114.063 -0.124 18210 4894 1 5 . 1 1 71 71 SER HA H 71 4.572 4.572 4.521 0.051 18210 4895 1 5 . 1 1 71 71 SER C C 71 174.682 174.682 175.369 -0.687 18210 4896 1 5 . 1 1 71 71 SER CA C 71 58.758 58.758 58.004 0.754 18210 4897 1 5 . 1 1 71 71 SER CB C 71 63.762 63.762 63.367 0.395 18210 4898 1 5 . 1 1 71 71 SER H H 71 8.049 8.049 7.810 0.239 18210 4899 1 5 . 1 1 72 72 GLY N N 72 109.936 109.936 109.305 0.631 18210 4900 1 5 . 1 1 72 72 GLY C C 72 173.549 173.549 173.343 0.206 18210 4901 1 5 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.562 0.076 18210 4902 1 5 . 1 1 72 72 GLY H H 72 8.641 8.641 7.924 0.717 18210 4903 1 5 . 1 1 73 73 LYS N N 73 119.884 119.884 119.707 0.177 18210 4904 1 5 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.543 0.010 18210 4905 1 5 . 1 1 73 73 LYS C C 73 175.750 175.750 175.554 0.196 18210 4906 1 5 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.644 0.014 18210 4907 1 5 . 1 1 73 73 LYS CB C 73 33.741 33.741 34.504 -0.763 18210 4908 1 5 . 1 1 73 73 LYS H H 73 7.738 7.738 7.932 -0.194 18210 4909 1 5 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.500 0.020 18210 4910 1 5 . 1 1 74 74 ASN C C 74 174.680 174.680 174.843 -0.163 18210 4911 1 5 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.874 0.358 18210 4912 1 5 . 1 1 74 74 ASN CB C 74 39.327 39.327 39.086 0.241 18210 4913 1 5 . 1 1 75 75 GLU N N 75 124.834 124.834 124.395 0.439 18210 4914 1 5 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.492 0.106 18210 4915 1 5 . 1 1 75 75 GLU C C 75 174.547 174.547 174.170 0.377 18210 4916 1 5 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.245 -0.358 18210 4917 1 5 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.340 -0.432 18210 4918 1 5 . 1 1 75 75 GLU H H 75 8.835 8.835 8.761 0.074 18210 4919 1 5 . 1 1 76 76 ASN N N 76 121.549 121.549 119.019 2.530 18210 4920 1 5 . 1 1 76 76 ASN HA H 76 4.675 4.675 5.193 -0.518 18210 4921 1 5 . 1 1 76 76 ASN C C 76 175.670 175.670 174.938 0.732 18210 4922 1 5 . 1 1 76 76 ASN CA C 76 54.120 54.120 52.959 1.161 18210 4923 1 5 . 1 1 76 76 ASN CB C 76 39.042 39.042 39.414 -0.372 18210 4924 1 5 . 1 1 76 76 ASN H H 76 8.580 8.580 8.627 -0.047 18210 4925 1 5 . 1 1 77 77 LEU N N 77 125.808 125.808 123.446 2.362 18210 4926 1 5 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.528 -0.421 18210 4927 1 5 . 1 1 77 77 LEU C C 77 178.104 178.104 177.450 0.654 18210 4928 1 5 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.459 1.532 18210 4929 1 5 . 1 1 77 77 LEU CB C 77 42.384 42.384 43.046 -0.662 18210 4930 1 5 . 1 1 77 77 LEU H H 77 8.610 8.610 8.156 0.454 18210 4931 1 5 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.082 -0.066 18210 4932 1 5 . 1 1 78 78 GLU C C 78 176.833 176.833 177.627 -0.794 18210 4933 1 5 . 1 1 78 78 GLU CA C 78 59.650 59.650 59.242 0.409 18210 4934 1 5 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.855 0.830 18210 4935 1 5 . 1 1 79 79 ASN N N 79 114.719 114.719 116.205 -1.486 18210 4936 1 5 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.445 0.119 18210 4937 1 5 . 1 1 79 79 ASN C C 79 175.510 175.510 176.141 -0.631 18210 4938 1 5 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.233 -0.841 18210 4939 1 5 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.516 1.202 18210 4940 1 5 . 1 1 79 79 ASN H H 79 8.257 8.257 8.243 0.014 18210 4941 1 5 . 1 1 80 80 LYS N N 80 118.906 118.906 119.699 -0.793 18210 4942 1 5 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.209 0.084 18210 4943 1 5 . 1 1 80 80 LYS C C 80 175.748 175.748 176.396 -0.648 18210 4944 1 5 . 1 1 80 80 LYS CA C 80 57.765 57.765 56.827 0.938 18210 4945 1 5 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.190 1.155 18210 4946 1 5 . 1 1 80 80 LYS H H 80 7.818 7.818 7.642 0.176 18210 4947 1 5 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.380 -0.230 18210 4948 1 5 . 1 1 81 81 LEU C C 81 174.688 174.688 175.231 -0.543 18210 4949 1 5 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.579 0.943 18210 4950 1 5 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.002 -0.939 18210 4951 1 5 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.214 -0.045 18210 4952 1 5 . 1 1 82 82 LYS C C 82 175.701 175.701 175.577 0.124 18210 4953 1 5 . 1 1 82 82 LYS CA C 82 56.168 56.168 56.161 0.007 18210 4954 1 5 . 1 1 82 82 LYS CB C 82 30.017 30.017 30.737 -0.720 18210 4955 1 5 . 1 1 83 83 LEU N N 83 120.762 120.762 125.247 -4.485 18210 4956 1 5 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.329 0.091 18210 4957 1 5 . 1 1 83 83 LEU C C 83 177.184 177.184 177.592 -0.408 18210 4958 1 5 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.736 0.483 18210 4959 1 5 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.812 -0.501 18210 4960 1 5 . 1 1 83 83 LEU H H 83 7.485 7.485 7.892 -0.407 18210 4961 1 5 . 1 1 84 84 THR N N 84 110.955 110.955 114.897 -3.942 18210 4962 1 5 . 1 1 84 84 THR HA H 84 4.712 4.712 4.512 0.200 18210 4963 1 5 . 1 1 84 84 THR C C 84 173.001 173.001 174.069 -1.068 18210 4964 1 5 . 1 1 84 84 THR CA C 84 59.883 59.883 60.700 -0.817 18210 4965 1 5 . 1 1 84 84 THR CB C 84 71.825 71.825 71.947 -0.122 18210 4966 1 5 . 1 1 84 84 THR H H 84 8.519 8.519 8.329 0.190 18210 4967 1 5 . 1 1 85 85 ASN N N 85 117.589 117.589 117.612 -0.023 18210 4968 1 5 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.384 -0.238 18210 4969 1 5 . 1 1 85 85 ASN C C 85 173.572 173.572 174.415 -0.843 18210 4970 1 5 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.906 0.413 18210 4971 1 5 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.057 1.851 18210 4972 1 5 . 1 1 85 85 ASN H H 85 8.850 8.850 8.765 0.085 18210 4973 1 5 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.376 -0.084 18210 4974 1 5 . 1 1 86 86 ILE C C 86 177.346 177.346 176.064 1.282 18210 4975 1 5 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.520 1.287 18210 4976 1 5 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.918 -0.219 18210 4977 1 5 . 1 1 87 87 ILE N N 87 131.807 131.807 129.030 2.777 18210 4978 1 5 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.535 -0.280 18210 4979 1 5 . 1 1 87 87 ILE C C 87 174.493 174.493 174.449 0.044 18210 4980 1 5 . 1 1 87 87 ILE CA C 87 60.152 60.152 60.011 0.141 18210 4981 1 5 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.318 1.792 18210 4982 1 5 . 1 1 87 87 ILE H H 87 9.166 9.166 8.507 0.659 18210 4983 1 5 . 1 1 88 88 MET HA H 88 4.017 4.017 4.567 -0.550 18210 4984 1 5 . 1 1 88 88 MET C C 88 173.613 173.613 174.449 -0.836 18210 4985 1 5 . 1 1 88 88 MET CA C 88 53.287 53.287 54.752 -1.465 18210 4986 1 5 . 1 1 88 88 MET CB C 88 33.478 33.478 34.677 -1.199 18210 4987 1 5 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.923 -0.226 18210 4988 1 5 . 1 1 89 89 ASP C C 89 176.750 176.750 175.693 1.057 18210 4989 1 5 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.461 -0.359 18210 4990 1 5 . 1 1 89 89 ASP CB C 89 40.191 40.191 42.212 -2.021 18210 4991 1 5 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.327 0.114 18210 4992 1 5 . 1 1 90 90 HIS C C 90 175.625 175.625 176.085 -0.460 18210 4993 1 5 . 1 1 90 90 HIS CA C 90 58.254 58.254 59.019 -0.765 18210 4994 1 5 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.175 -1.596 18210 4995 1 5 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.226 0.214 18210 4996 1 5 . 1 1 91 91 TYR C C 91 177.915 177.915 175.684 2.231 18210 4997 1 5 . 1 1 91 91 TYR CA C 91 60.760 60.760 60.826 -0.066 18210 4998 1 5 . 1 1 91 91 TYR CB C 91 38.067 38.067 39.016 -0.948 18210 4999 1 5 . 1 1 92 92 ASN N N 92 113.661 113.661 113.480 0.181 18210 5000 1 5 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.509 0.264 18210 5001 1 5 . 1 1 92 92 ASN C C 92 174.762 174.762 174.697 0.065 18210 5002 1 5 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.772 -0.156 18210 5003 1 5 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.996 0.286 18210 5004 1 5 . 1 1 92 92 ASN H H 92 7.713 7.713 7.898 -0.185 18210 5005 1 5 . 1 1 93 93 ASN N N 93 125.176 125.176 114.542 10.634 18210 5006 1 5 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.326 0.383 18210 5007 1 5 . 1 1 93 93 ASN C C 93 172.729 172.729 173.259 -0.530 18210 5008 1 5 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.517 -1.782 18210 5009 1 5 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.827 1.134 18210 5010 1 5 . 1 1 93 93 ASN H H 93 7.804 7.804 7.861 -0.057 18210 5011 1 5 . 1 1 94 94 THR N N 94 109.900 109.900 111.944 -2.044 18210 5012 1 5 . 1 1 94 94 THR HA H 94 4.852 4.852 4.894 -0.042 18210 5013 1 5 . 1 1 94 94 THR C C 94 170.824 170.824 171.721 -0.897 18210 5014 1 5 . 1 1 94 94 THR CA C 94 61.817 61.817 60.558 1.259 18210 5015 1 5 . 1 1 94 94 THR CB C 94 71.074 71.074 70.947 0.127 18210 5016 1 5 . 1 1 94 94 THR H H 94 7.654 7.654 7.292 0.362 18210 5017 1 5 . 1 1 95 95 PHE N N 95 126.721 126.721 125.158 1.563 18210 5018 1 5 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.252 -0.144 18210 5019 1 5 . 1 1 95 95 PHE C C 95 174.143 174.143 174.203 -0.060 18210 5020 1 5 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.735 -0.166 18210 5021 1 5 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.651 0.142 18210 5022 1 5 . 1 1 95 95 PHE H H 95 8.166 8.166 7.682 0.484 18210 5023 1 5 . 1 1 96 96 TYR N N 96 115.709 115.709 120.372 -4.663 18210 5024 1 5 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.521 0.546 18210 5025 1 5 . 1 1 96 96 TYR C C 96 175.734 175.734 174.874 0.860 18210 5026 1 5 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.503 -0.071 18210 5027 1 5 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.824 1.343 18210 5028 1 5 . 1 1 96 96 TYR H H 96 9.149 9.149 8.598 0.551 18210 5029 1 5 . 1 1 97 97 SER N N 97 109.503 109.503 114.318 -4.815 18210 5030 1 5 . 1 1 97 97 SER HA H 97 4.430 4.430 5.001 -0.571 18210 5031 1 5 . 1 1 97 97 SER C C 97 170.684 170.684 173.432 -2.748 18210 5032 1 5 . 1 1 97 97 SER CA C 97 59.324 59.324 57.325 1.999 18210 5033 1 5 . 1 1 97 97 SER CB C 97 66.341 66.341 66.298 0.043 18210 5034 1 5 . 1 1 97 97 SER H H 97 8.921 8.921 9.161 -0.240 18210 5035 1 5 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.785 0.609 18210 5036 1 5 . 1 1 98 98 ARG C C 98 175.850 175.850 175.051 0.799 18210 5037 1 5 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.822 -0.646 18210 5038 1 5 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.660 0.467 18210 5039 1 5 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.677 -0.347 18210 5040 1 5 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.282 1.524 18210 5041 1 5 . 1 1 99 99 LEU CB C 99 40.903 40.903 41.973 -1.070 18210 5042 1 5 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.374 0.302 18210 5043 1 5 . 1 1 100 100 PRO C C 100 175.744 175.744 176.680 -0.936 18210 5044 1 5 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.017 -0.728 18210 5045 1 5 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.612 0.174 18210 5046 1 5 . 1 1 101 101 SER HA H 101 4.126 4.126 4.415 -0.289 18210 5047 1 5 . 1 1 101 101 SER C C 101 173.214 173.214 174.093 -0.879 18210 5048 1 5 . 1 1 101 101 SER CA C 101 60.265 60.265 59.690 0.575 18210 5049 1 5 . 1 1 101 101 SER CB C 101 63.660 63.660 63.601 0.059 18210 5050 1 5 . 1 1 102 102 LEU N N 102 121.389 121.389 121.892 -0.503 18210 5051 1 5 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.608 -0.076 18210 5052 1 5 . 1 1 102 102 LEU C C 102 175.187 175.187 175.218 -0.031 18210 5053 1 5 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.793 -0.107 18210 5054 1 5 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.208 0.172 18210 5055 1 5 . 1 1 102 102 LEU H H 102 7.179 7.179 7.439 -0.260 18210 5056 1 5 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.435 0.008 18210 5057 1 5 . 1 1 103 103 ILE C C 103 175.490 175.490 175.871 -0.381 18210 5058 1 5 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.629 -1.720 18210 5059 1 5 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.352 0.326 18210 5060 1 5 . 1 1 104 104 SER N N 104 120.807 120.807 120.083 0.724 18210 5061 1 5 . 1 1 104 104 SER HA H 104 4.581 4.581 4.638 -0.057 18210 5062 1 5 . 1 1 104 104 SER C C 104 173.234 173.234 174.090 -0.856 18210 5063 1 5 . 1 1 104 104 SER CA C 104 58.166 58.166 58.306 -0.140 18210 5064 1 5 . 1 1 104 104 SER CB C 104 64.341 64.341 63.953 0.388 18210 5065 1 5 . 1 1 104 104 SER H H 104 8.471 8.471 8.463 0.008 18210 5066 1 5 . 1 1 105 105 ASP N N 105 119.103 119.103 122.059 -2.956 18210 5067 1 5 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.812 -0.163 18210 5068 1 5 . 1 1 105 105 ASP C C 105 174.991 174.991 175.922 -0.931 18210 5069 1 5 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.375 -0.641 18210 5070 1 5 . 1 1 105 105 ASP CB C 105 42.477 42.477 41.706 0.771 18210 5071 1 5 . 1 1 105 105 ASP H H 105 8.060 8.060 7.966 0.094 18210 5072 1 5 . 1 1 106 106 ASN N N 106 116.036 116.036 118.334 -2.298 18210 5073 1 5 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.833 -0.098 18210 5074 1 5 . 1 1 106 106 ASN C C 106 174.308 174.308 175.341 -1.033 18210 5075 1 5 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.630 1.151 18210 5076 1 5 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.077 0.945 18210 5077 1 5 . 1 1 106 106 ASN H H 106 8.389 8.389 8.449 -0.060 18210 5078 1 5 . 1 1 107 107 TRP N N 107 119.645 119.645 121.853 -2.208 18210 5079 1 5 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.853 -0.024 18210 5080 1 5 . 1 1 107 107 TRP C C 107 174.949 174.949 174.948 0.001 18210 5081 1 5 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.335 -0.143 18210 5082 1 5 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.660 2.553 18210 5083 1 5 . 1 1 107 107 TRP H H 107 7.846 7.846 8.011 -0.165 18210 5084 1 5 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.641 0.821 18210 5085 1 5 . 1 1 108 108 LYS C C 108 174.986 174.986 174.702 0.284 18210 5086 1 5 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.369 0.827 18210 5087 1 5 . 1 1 108 108 LYS CB C 108 36.215 36.215 36.119 0.096 18210 5088 1 5 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.352 0.193 18210 5089 1 5 . 1 1 109 109 PHE C C 109 172.950 172.950 172.484 0.466 18210 5090 1 5 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.579 -0.159 18210 5091 1 5 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.091 -0.200 18210 5092 1 5 . 1 1 110 110 PHE N N 110 115.390 115.390 115.127 0.263 18210 5093 1 5 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.159 0.873 18210 5094 1 5 . 1 1 110 110 PHE C C 110 173.892 173.892 173.502 0.390 18210 5095 1 5 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.426 0.806 18210 5096 1 5 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.913 2.453 18210 5097 1 5 . 1 1 110 110 PHE H H 110 9.267 9.267 7.962 1.305 18210 5098 1 5 . 1 1 111 111 CYS N N 111 116.463 116.463 118.086 -1.623 18210 5099 1 5 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.921 0.140 18210 5100 1 5 . 1 1 111 111 CYS C C 111 171.900 171.900 173.202 -1.302 18210 5101 1 5 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.537 -3.685 18210 5102 1 5 . 1 1 111 111 CYS CB C 111 47.830 47.830 30.811 17.019 18210 5103 1 5 . 1 1 111 111 CYS H H 111 9.274 9.274 8.929 0.345 18210 5104 1 5 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.022 0.180 18210 5105 1 5 . 1 1 112 112 VAL C C 112 175.041 175.041 174.303 0.738 18210 5106 1 5 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.604 -0.161 18210 5107 1 5 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.087 0.490 18210 5108 1 5 . 1 1 112 112 VAL H H 112 9.605 9.605 8.287 1.318 18210 5109 1 5 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.561 0.199 18210 5110 1 5 . 1 1 113 113 CYS C C 113 173.601 173.601 173.713 -0.112 18210 5111 1 5 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.344 -4.523 18210 5112 1 5 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.489 14.457 18210 5113 1 5 . 1 1 114 114 SER N N 114 117.968 117.968 118.555 -0.587 18210 5114 1 5 . 1 1 114 114 SER HA H 114 5.093 5.093 5.072 0.021 18210 5115 1 5 . 1 1 114 114 SER C C 114 172.267 172.267 172.576 -0.309 18210 5116 1 5 . 1 1 114 114 SER CA C 114 56.677 56.677 58.064 -1.387 18210 5117 1 5 . 1 1 114 114 SER CB C 114 66.795 66.795 65.677 1.118 18210 5118 1 5 . 1 1 114 114 SER H H 114 9.250 9.250 8.870 0.380 18210 5119 1 5 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.497 -0.391 18210 5120 1 5 . 1 1 115 115 LYS C C 115 174.527 174.527 174.620 -0.093 18210 5121 1 5 . 1 1 115 115 LYS CA C 115 55.922 55.922 54.978 0.944 18210 5122 1 5 . 1 1 115 115 LYS CB C 115 34.009 34.009 35.486 -1.477 18210 5123 1 5 . 1 1 115 115 LYS H H 115 8.705 8.705 8.477 0.228 18210 5124 1 5 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.474 -0.283 18210 5125 1 5 . 1 1 116 116 ASP C C 116 176.002 176.002 176.791 -0.789 18210 5126 1 5 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.499 0.815 18210 5127 1 5 . 1 1 116 116 ASP CB C 116 40.447 40.447 41.016 -0.569 18210 5128 1 5 . 1 1 117 117 ASN N N 117 116.913 116.913 119.377 -2.464 18210 5129 1 5 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.287 0.152 18210 5130 1 5 . 1 1 117 117 ASN C C 117 174.246 174.246 173.728 0.518 18210 5131 1 5 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.202 0.231 18210 5132 1 5 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.098 0.084 18210 5133 1 5 . 1 1 117 117 ASN H H 117 8.752 8.752 8.666 0.086 18210 5134 1 5 . 1 1 118 118 GLU N N 118 116.615 116.615 118.805 -2.190 18210 5135 1 5 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.452 0.308 18210 5136 1 5 . 1 1 118 118 GLU C C 118 177.397 177.397 175.658 1.739 18210 5137 1 5 . 1 1 118 118 GLU CA C 118 54.309 54.309 54.782 -0.473 18210 5138 1 5 . 1 1 118 118 GLU CB C 118 31.091 31.091 32.637 -1.546 18210 5139 1 5 . 1 1 118 118 GLU H H 118 7.819 7.819 8.224 -0.405 18210 5140 1 5 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.085 0.080 18210 5141 1 5 . 1 1 119 119 LYS C C 119 177.626 177.626 176.684 0.942 18210 5142 1 5 . 1 1 119 119 LYS CA C 119 57.540 57.540 57.288 0.252 18210 5143 1 5 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.731 0.114 18210 5144 1 5 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.367 -0.062 18210 5145 1 5 . 1 1 120 120 LYS C C 120 174.312 174.312 175.440 -1.128 18210 5146 1 5 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.850 1.256 18210 5147 1 5 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.974 -0.786 18210 5148 1 5 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.447 0.112 18210 5149 1 5 . 1 1 121 121 LEU C C 121 174.893 174.893 174.983 -0.090 18210 5150 1 5 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.536 -0.932 18210 5151 1 5 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.743 -3.137 18210 5152 1 5 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.606 -0.245 18210 5153 1 5 . 1 1 122 122 VAL C C 122 173.909 173.909 174.272 -0.363 18210 5154 1 5 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.136 0.892 18210 5155 1 5 . 1 1 122 122 VAL CB C 122 33.594 33.594 34.000 -0.406 18210 5156 1 5 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.863 0.312 18210 5157 1 5 . 1 1 123 123 PHE C C 123 173.230 173.230 173.042 0.188 18210 5158 1 5 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.179 0.135 18210 5159 1 5 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.684 -0.852 18210 5160 1 5 . 1 1 124 124 THR N N 124 121.688 121.688 123.495 -1.807 18210 5161 1 5 . 1 1 124 124 THR HA H 124 4.885 4.885 4.623 0.262 18210 5162 1 5 . 1 1 124 124 THR C C 124 170.874 170.874 172.289 -1.415 18210 5163 1 5 . 1 1 124 124 THR CA C 124 60.087 60.087 59.899 0.188 18210 5164 1 5 . 1 1 124 124 THR CB C 124 70.942 70.942 71.085 -0.143 18210 5165 1 5 . 1 1 124 124 THR H H 124 8.493 8.493 8.082 0.411 18210 5166 1 5 . 1 1 125 125 VAL N N 125 125.781 125.781 120.823 4.958 18210 5167 1 5 . 1 1 125 125 VAL HA H 125 4.516 4.516 4.915 -0.399 18210 5168 1 5 . 1 1 125 125 VAL C C 125 173.796 173.796 173.044 0.752 18210 5169 1 5 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.881 0.911 18210 5170 1 5 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.303 -2.068 18210 5171 1 5 . 1 1 125 125 VAL H H 125 8.275 8.275 7.924 0.351 18210 5172 1 5 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.648 0.241 18210 5173 1 5 . 1 1 126 126 GLU C C 126 173.519 173.519 174.651 -1.132 18210 5174 1 5 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.619 -0.653 18210 5175 1 5 . 1 1 126 126 GLU CB C 126 32.962 32.962 34.117 -1.155 18210 5176 1 5 . 1 1 126 126 GLU H H 126 8.262 8.262 7.863 0.399 18210 5177 1 6 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.416 -0.247 18210 5178 1 6 . 1 1 2 2 LYS C C 2 176.160 176.160 176.363 -0.203 18210 5179 1 6 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.513 0.452 18210 5180 1 6 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.223 0.042 18210 5181 1 6 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.138 -0.225 18210 5182 1 6 . 1 1 3 3 VAL C C 3 175.820 175.820 175.655 0.165 18210 5183 1 6 . 1 1 3 3 VAL CA C 3 62.488 62.488 62.038 0.449 18210 5184 1 6 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.992 -0.212 18210 5185 1 6 . 1 1 4 4 LYS N N 4 129.029 129.029 127.054 1.975 18210 5186 1 6 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.535 -0.028 18210 5187 1 6 . 1 1 4 4 LYS C C 4 174.923 174.923 176.622 -1.699 18210 5188 1 6 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.355 0.949 18210 5189 1 6 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.090 0.161 18210 5190 1 6 . 1 1 4 4 LYS H H 4 8.507 8.507 8.288 0.219 18210 5191 1 6 . 1 1 5 5 GLY N N 5 110.242 110.242 109.862 0.380 18210 5192 1 6 . 1 1 5 5 GLY C C 5 173.333 173.333 171.586 1.747 18210 5193 1 6 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.354 0.910 18210 5194 1 6 . 1 1 5 5 GLY H H 5 8.138 8.138 8.259 -0.121 18210 5195 1 6 . 1 1 6 6 CYS N N 6 114.306 114.306 119.706 -5.400 18210 5196 1 6 . 1 1 6 6 CYS HA H 6 5.251 5.251 4.945 0.306 18210 5197 1 6 . 1 1 6 6 CYS C C 6 170.891 170.891 172.933 -2.042 18210 5198 1 6 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.442 -2.592 18210 5199 1 6 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.182 21.968 18210 5200 1 6 . 1 1 6 6 CYS H H 6 6.750 6.750 8.076 -1.326 18210 5201 1 6 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.003 -0.255 18210 5202 1 6 . 1 1 7 7 ASP C C 7 175.607 175.607 175.578 0.029 18210 5203 1 6 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.428 -0.190 18210 5204 1 6 . 1 1 7 7 ASP CB C 7 41.617 41.617 41.865 -0.248 18210 5205 1 6 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.597 0.280 18210 5206 1 6 . 1 1 8 8 PHE C C 8 173.972 173.972 175.611 -1.639 18210 5207 1 6 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.472 0.983 18210 5208 1 6 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.968 0.251 18210 5209 1 6 . 1 1 9 9 THR N N 9 105.421 105.421 112.927 -7.506 18210 5210 1 6 . 1 1 9 9 THR HA H 9 4.611 4.611 4.449 0.162 18210 5211 1 6 . 1 1 9 9 THR C C 9 174.505 174.505 174.547 -0.042 18210 5212 1 6 . 1 1 9 9 THR CA C 9 61.988 61.988 63.267 -1.279 18210 5213 1 6 . 1 1 9 9 THR CB C 9 70.385 70.385 70.461 -0.076 18210 5214 1 6 . 1 1 9 9 THR H H 9 8.996 8.996 7.798 1.198 18210 5215 1 6 . 1 1 10 10 THR N N 10 118.757 118.757 115.760 2.997 18210 5216 1 6 . 1 1 10 10 THR HA H 10 4.526 4.526 4.576 -0.050 18210 5217 1 6 . 1 1 10 10 THR C C 10 171.202 171.202 173.992 -2.790 18210 5218 1 6 . 1 1 10 10 THR CA C 10 60.774 60.774 61.412 -0.638 18210 5219 1 6 . 1 1 10 10 THR CB C 10 68.040 68.040 72.399 -4.359 18210 5220 1 6 . 1 1 10 10 THR H H 10 7.199 7.199 7.274 -0.075 18210 5221 1 6 . 1 1 11 11 SER N N 11 117.117 117.117 118.895 -1.778 18210 5222 1 6 . 1 1 11 11 SER HA H 11 3.907 3.907 4.268 -0.361 18210 5223 1 6 . 1 1 11 11 SER C C 11 174.988 174.988 174.870 0.118 18210 5224 1 6 . 1 1 11 11 SER CA C 11 59.563 59.563 60.748 -1.185 18210 5225 1 6 . 1 1 11 11 SER CB C 11 63.599 63.599 63.481 0.118 18210 5226 1 6 . 1 1 11 11 SER H H 11 7.997 7.997 8.711 -0.714 18210 5227 1 6 . 1 1 12 12 GLU N N 12 125.013 125.013 120.657 4.356 18210 5228 1 6 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.448 0.117 18210 5229 1 6 . 1 1 12 12 GLU C C 12 175.108 175.108 175.425 -0.317 18210 5230 1 6 . 1 1 12 12 GLU CA C 12 54.259 54.259 54.913 -0.653 18210 5231 1 6 . 1 1 12 12 GLU CB C 12 28.928 28.928 29.559 -0.631 18210 5232 1 6 . 1 1 12 12 GLU H H 12 8.375 8.375 8.233 0.142 18210 5233 1 6 . 1 1 13 13 SER N N 13 114.959 114.959 118.074 -3.115 18210 5234 1 6 . 1 1 13 13 SER HA H 13 4.130 4.130 4.485 -0.355 18210 5235 1 6 . 1 1 13 13 SER C C 13 176.833 176.833 174.880 1.953 18210 5236 1 6 . 1 1 13 13 SER CA C 13 58.707 58.707 58.591 0.116 18210 5237 1 6 . 1 1 13 13 SER CB C 13 63.598 63.598 64.908 -1.310 18210 5238 1 6 . 1 1 13 13 SER H H 13 7.879 7.879 8.086 -0.207 18210 5239 1 6 . 1 1 14 14 THR N N 14 117.688 117.688 114.081 3.607 18210 5240 1 6 . 1 1 14 14 THR HA H 14 4.348 4.348 4.379 -0.031 18210 5241 1 6 . 1 1 14 14 THR C C 14 174.550 174.550 174.759 -0.209 18210 5242 1 6 . 1 1 14 14 THR CA C 14 62.435 62.435 62.396 0.039 18210 5243 1 6 . 1 1 14 14 THR CB C 14 69.114 69.114 68.774 0.340 18210 5244 1 6 . 1 1 14 14 THR H H 14 8.978 8.978 8.645 0.333 18210 5245 1 6 . 1 1 15 15 ILE N N 15 118.851 118.851 113.529 5.322 18210 5246 1 6 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.245 -0.207 18210 5247 1 6 . 1 1 15 15 ILE C C 15 175.389 175.389 173.463 1.926 18210 5248 1 6 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.960 1.740 18210 5249 1 6 . 1 1 15 15 ILE CB C 15 41.447 41.447 38.783 2.664 18210 5250 1 6 . 1 1 15 15 ILE H H 15 7.947 7.947 7.552 0.395 18210 5251 1 6 . 1 1 16 16 PHE N N 16 116.409 116.409 120.560 -4.151 18210 5252 1 6 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.512 0.006 18210 5253 1 6 . 1 1 16 16 PHE C C 16 176.700 176.700 176.330 0.370 18210 5254 1 6 . 1 1 16 16 PHE CA C 16 57.462 57.462 55.827 1.635 18210 5255 1 6 . 1 1 16 16 PHE CB C 16 42.712 42.712 42.664 0.048 18210 5256 1 6 . 1 1 16 16 PHE H H 16 7.792 7.792 7.473 0.319 18210 5257 1 6 . 1 1 17 17 SER N N 17 114.126 114.126 116.798 -2.672 18210 5258 1 6 . 1 1 17 17 SER HA H 17 3.984 3.984 4.291 -0.307 18210 5259 1 6 . 1 1 17 17 SER C C 17 174.203 174.203 175.001 -0.798 18210 5260 1 6 . 1 1 17 17 SER CA C 17 61.176 61.176 60.746 0.430 18210 5261 1 6 . 1 1 17 17 SER CB C 17 63.438 63.438 63.771 -0.333 18210 5262 1 6 . 1 1 17 17 SER H H 17 8.666 8.666 8.754 -0.088 18210 5263 1 6 . 1 1 18 18 LYS N N 18 122.828 122.828 121.817 1.011 18210 5264 1 6 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.462 0.296 18210 5265 1 6 . 1 1 18 18 LYS C C 18 174.029 174.029 174.783 -0.754 18210 5266 1 6 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.673 -0.012 18210 5267 1 6 . 1 1 18 18 LYS CB C 18 35.049 35.049 34.906 0.143 18210 5268 1 6 . 1 1 18 18 LYS H H 18 8.031 8.031 7.311 0.720 18210 5269 1 6 . 1 1 19 19 GLY N N 19 112.051 112.051 110.978 1.073 18210 5270 1 6 . 1 1 19 19 GLY C C 19 172.307 172.307 172.631 -0.324 18210 5271 1 6 . 1 1 19 19 GLY CA C 19 44.946 44.946 45.054 -0.108 18210 5272 1 6 . 1 1 19 19 GLY H H 19 8.092 8.092 7.909 0.183 18210 5273 1 6 . 1 1 20 20 TYR N N 20 120.060 120.060 118.931 1.129 18210 5274 1 6 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.698 -0.128 18210 5275 1 6 . 1 1 20 20 TYR C C 20 173.557 173.557 174.821 -1.264 18210 5276 1 6 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.109 0.403 18210 5277 1 6 . 1 1 20 20 TYR CB C 20 43.091 43.091 43.377 -0.286 18210 5278 1 6 . 1 1 20 20 TYR H H 20 7.968 7.968 8.975 -1.007 18210 5279 1 6 . 1 1 21 21 SER N N 21 115.201 115.201 115.874 -0.673 18210 5280 1 6 . 1 1 21 21 SER HA H 21 4.562 4.562 4.770 -0.208 18210 5281 1 6 . 1 1 21 21 SER C C 21 176.172 176.172 176.251 -0.079 18210 5282 1 6 . 1 1 21 21 SER CA C 21 56.537 56.537 55.512 1.025 18210 5283 1 6 . 1 1 21 21 SER CB C 21 65.257 65.257 64.798 0.459 18210 5284 1 6 . 1 1 21 21 SER H H 21 8.761 8.761 8.519 0.242 18210 5285 1 6 . 1 1 22 22 ILE N N 22 122.867 122.867 122.992 -0.125 18210 5286 1 6 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.959 0.200 18210 5287 1 6 . 1 1 22 22 ILE C C 22 177.561 177.561 177.076 0.485 18210 5288 1 6 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.779 -1.066 18210 5289 1 6 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.829 0.026 18210 5290 1 6 . 1 1 22 22 ILE H H 22 8.646 8.646 8.680 -0.034 18210 5291 1 6 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.515 0.030 18210 5292 1 6 . 1 1 23 23 ASN C C 23 176.647 176.647 177.214 -0.567 18210 5293 1 6 . 1 1 23 23 ASN CA C 23 55.506 55.506 56.313 -0.807 18210 5294 1 6 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.134 0.319 18210 5295 1 6 . 1 1 24 24 GLU N N 24 118.601 118.601 118.800 -0.199 18210 5296 1 6 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.099 0.187 18210 5297 1 6 . 1 1 24 24 GLU C C 24 177.998 177.998 178.326 -0.328 18210 5298 1 6 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.383 -1.077 18210 5299 1 6 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.596 1.062 18210 5300 1 6 . 1 1 24 24 GLU H H 24 7.837 7.837 8.415 -0.578 18210 5301 1 6 . 1 1 25 25 ILE HA H 25 4.173 4.173 3.884 0.289 18210 5302 1 6 . 1 1 25 25 ILE C C 25 176.641 176.641 177.185 -0.544 18210 5303 1 6 . 1 1 25 25 ILE CA C 25 62.612 62.612 63.845 -1.233 18210 5304 1 6 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.266 0.094 18210 5305 1 6 . 1 1 26 26 SER N N 26 116.293 116.293 115.743 0.550 18210 5306 1 6 . 1 1 26 26 SER HA H 26 4.663 4.663 4.196 0.467 18210 5307 1 6 . 1 1 26 26 SER C C 26 174.462 174.462 175.280 -0.818 18210 5308 1 6 . 1 1 26 26 SER CA C 26 58.392 58.392 60.786 -2.394 18210 5309 1 6 . 1 1 26 26 SER CB C 26 64.380 64.380 63.894 0.486 18210 5310 1 6 . 1 1 26 26 SER H H 26 7.813 7.813 8.084 -0.271 18210 5311 1 6 . 1 1 27 27 ASN N N 27 121.919 121.919 121.295 0.624 18210 5312 1 6 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.443 0.278 18210 5313 1 6 . 1 1 27 27 ASN C C 27 175.869 175.869 174.804 1.065 18210 5314 1 6 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.523 0.487 18210 5315 1 6 . 1 1 27 27 ASN CB C 27 38.640 38.640 37.766 0.874 18210 5316 1 6 . 1 1 27 27 ASN H H 27 8.521 8.521 8.257 0.264 18210 5317 1 6 . 1 1 28 28 LYS N N 28 121.697 121.697 123.853 -2.156 18210 5318 1 6 . 1 1 28 28 LYS HA H 28 4.360 4.360 3.967 0.393 18210 5319 1 6 . 1 1 28 28 LYS C C 28 176.952 176.952 176.421 0.531 18210 5320 1 6 . 1 1 28 28 LYS CA C 28 56.967 56.967 57.297 -0.330 18210 5321 1 6 . 1 1 28 28 LYS CB C 28 32.730 32.730 32.366 0.364 18210 5322 1 6 . 1 1 28 28 LYS H H 28 8.367 8.367 8.150 0.217 18210 5323 1 6 . 1 1 29 29 SER HA H 29 4.498 4.498 4.284 0.214 18210 5324 1 6 . 1 1 29 29 SER C C 29 174.741 174.741 175.017 -0.276 18210 5325 1 6 . 1 1 29 29 SER CA C 29 58.557 58.557 60.418 -1.861 18210 5326 1 6 . 1 1 29 29 SER CB C 29 63.945 63.945 63.403 0.542 18210 5327 1 6 . 1 1 30 30 SER N N 30 116.470 116.470 120.292 -3.822 18210 5328 1 6 . 1 1 30 30 SER HA H 30 4.429 4.429 4.458 -0.029 18210 5329 1 6 . 1 1 30 30 SER C C 30 174.467 174.467 174.875 -0.408 18210 5330 1 6 . 1 1 30 30 SER CA C 30 58.616 58.616 59.753 -1.137 18210 5331 1 6 . 1 1 30 30 SER CB C 30 63.834 63.834 63.697 0.138 18210 5332 1 6 . 1 1 30 30 SER H H 30 8.140 8.140 8.866 -0.726 18210 5333 1 6 . 1 1 31 31 ASN N N 31 119.457 119.457 116.554 2.903 18210 5334 1 6 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.816 -0.119 18210 5335 1 6 . 1 1 31 31 ASN C C 31 174.930 174.930 174.460 0.470 18210 5336 1 6 . 1 1 31 31 ASN CA C 31 53.583 53.583 52.835 0.748 18210 5337 1 6 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.830 -0.097 18210 5338 1 6 . 1 1 31 31 ASN H H 31 8.354 8.354 8.264 0.090 18210 5339 1 6 . 1 1 32 32 ASN N N 32 118.038 118.038 117.505 0.533 18210 5340 1 6 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.724 -0.026 18210 5341 1 6 . 1 1 32 32 ASN C C 32 174.979 174.979 173.325 1.654 18210 5342 1 6 . 1 1 32 32 ASN CA C 32 53.580 53.580 52.629 0.951 18210 5343 1 6 . 1 1 32 32 ASN CB C 32 38.810 38.810 39.213 -0.403 18210 5344 1 6 . 1 1 32 32 ASN H H 32 8.218 8.218 7.624 0.594 18210 5345 1 6 . 1 1 33 33 GLN N N 33 119.603 119.603 118.828 0.775 18210 5346 1 6 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.414 -0.061 18210 5347 1 6 . 1 1 33 33 GLN C C 33 175.735 175.735 176.448 -0.713 18210 5348 1 6 . 1 1 33 33 GLN CA C 33 55.883 55.883 56.065 -0.182 18210 5349 1 6 . 1 1 33 33 GLN CB C 33 29.131 29.131 29.200 -0.069 18210 5350 1 6 . 1 1 33 33 GLN H H 33 8.337 8.337 8.369 -0.032 18210 5351 1 6 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.191 0.087 18210 5352 1 6 . 1 1 34 34 GLN C C 34 175.170 175.170 174.327 0.843 18210 5353 1 6 . 1 1 34 34 GLN CA C 34 56.102 56.102 55.811 0.291 18210 5354 1 6 . 1 1 34 34 GLN CB C 34 29.870 29.870 27.424 2.446 18210 5355 1 6 . 1 1 34 34 GLN H H 34 8.087 8.087 8.753 -0.666 18210 5356 1 6 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.151 -0.431 18210 5357 1 6 . 1 1 35 35 ASP C C 35 175.810 175.810 174.800 1.010 18210 5358 1 6 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.189 1.103 18210 5359 1 6 . 1 1 35 35 ASP CB C 35 41.462 41.462 43.892 -2.429 18210 5360 1 6 . 1 1 35 35 ASP H H 35 8.033 8.033 8.161 -0.128 18210 5361 1 6 . 1 1 36 36 ILE N N 36 122.378 122.378 125.120 -2.742 18210 5362 1 6 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.260 -0.196 18210 5363 1 6 . 1 1 36 36 ILE C C 36 173.823 173.823 174.318 -0.495 18210 5364 1 6 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.091 1.415 18210 5365 1 6 . 1 1 36 36 ILE CB C 36 37.712 37.712 38.358 -0.646 18210 5366 1 6 . 1 1 36 36 ILE H H 36 8.421 8.421 8.353 0.068 18210 5367 1 6 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.869 -0.362 18210 5368 1 6 . 1 1 37 37 VAL C C 37 174.956 174.956 175.606 -0.650 18210 5369 1 6 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.666 0.869 18210 5370 1 6 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.447 -1.515 18210 5371 1 6 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.679 0.102 18210 5372 1 6 . 1 1 38 38 CYS C C 38 172.106 172.106 174.473 -2.367 18210 5373 1 6 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.211 -2.993 18210 5374 1 6 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.657 23.300 18210 5375 1 6 . 1 1 39 39 THR N N 39 123.385 123.385 123.683 -0.298 18210 5376 1 6 . 1 1 39 39 THR HA H 39 4.998 4.998 5.127 -0.129 18210 5377 1 6 . 1 1 39 39 THR C C 39 174.687 174.687 173.767 0.920 18210 5378 1 6 . 1 1 39 39 THR CA C 39 61.514 61.514 62.572 -1.058 18210 5379 1 6 . 1 1 39 39 THR CB C 39 69.880 69.880 69.397 0.483 18210 5380 1 6 . 1 1 39 39 THR H H 39 8.229 8.229 8.688 -0.459 18210 5381 1 6 . 1 1 40 40 VAL N N 40 125.782 125.782 122.267 3.515 18210 5382 1 6 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.671 -0.391 18210 5383 1 6 . 1 1 40 40 VAL C C 40 173.622 173.622 173.706 -0.084 18210 5384 1 6 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.515 0.892 18210 5385 1 6 . 1 1 40 40 VAL CB C 40 34.800 34.800 34.641 0.159 18210 5386 1 6 . 1 1 40 40 VAL H H 40 8.892 8.892 8.149 0.743 18210 5387 1 6 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.552 0.353 18210 5388 1 6 . 1 1 41 41 LYS C C 41 175.624 175.624 175.531 0.093 18210 5389 1 6 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.321 -1.074 18210 5390 1 6 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.656 -1.754 18210 5391 1 6 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.549 -0.242 18210 5392 1 6 . 1 1 42 42 ALA C C 42 175.028 175.028 175.375 -0.347 18210 5393 1 6 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.312 0.232 18210 5394 1 6 . 1 1 42 42 ALA CB C 42 22.233 22.233 20.756 1.477 18210 5395 1 6 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.754 0.025 18210 5396 1 6 . 1 1 43 43 HIS C C 43 172.767 172.767 175.032 -2.265 18210 5397 1 6 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.503 -1.902 18210 5398 1 6 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.881 -2.582 18210 5399 1 6 . 1 1 43 43 HIS H H 43 8.722 8.722 8.649 0.073 18210 5400 1 6 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.065 -0.025 18210 5401 1 6 . 1 1 44 44 ALA C C 44 178.087 178.087 177.882 0.205 18210 5402 1 6 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.437 -0.575 18210 5403 1 6 . 1 1 44 44 ALA CB C 44 19.024 19.024 18.899 0.124 18210 5404 1 6 . 1 1 44 44 ALA H H 44 8.468 8.468 8.019 0.449 18210 5405 1 6 . 1 1 45 45 ASN N N 45 113.483 113.483 113.769 -0.286 18210 5406 1 6 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.794 -0.452 18210 5407 1 6 . 1 1 45 45 ASN C C 45 174.441 174.441 174.293 0.148 18210 5408 1 6 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.082 2.246 18210 5409 1 6 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.700 -1.021 18210 5410 1 6 . 1 1 45 45 ASN H H 45 7.356 7.356 8.445 -1.089 18210 5411 1 6 . 1 1 46 46 ASP N N 46 120.941 120.941 120.018 0.923 18210 5412 1 6 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.760 -0.169 18210 5413 1 6 . 1 1 46 46 ASP C C 46 175.724 175.724 175.807 -0.083 18210 5414 1 6 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.672 1.496 18210 5415 1 6 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.308 0.211 18210 5416 1 6 . 1 1 46 46 ASP H H 46 7.959 7.959 8.309 -0.350 18210 5417 1 6 . 1 1 47 47 LEU N N 47 123.735 123.735 121.527 2.208 18210 5418 1 6 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.433 0.543 18210 5419 1 6 . 1 1 47 47 LEU C C 47 175.735 175.735 176.859 -1.124 18210 5420 1 6 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.842 -0.151 18210 5421 1 6 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.704 0.862 18210 5422 1 6 . 1 1 47 47 LEU H H 47 8.156 8.156 8.519 -0.363 18210 5423 1 6 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.655 0.616 18210 5424 1 6 . 1 1 48 48 ILE C C 48 175.979 175.979 175.331 0.648 18210 5425 1 6 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.916 0.037 18210 5426 1 6 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.444 2.694 18210 5427 1 6 . 1 1 49 49 GLY N N 49 102.726 102.726 110.850 -8.124 18210 5428 1 6 . 1 1 49 49 GLY C C 49 169.506 169.506 171.775 -2.269 18210 5429 1 6 . 1 1 49 49 GLY CA C 49 48.190 48.190 46.020 2.170 18210 5430 1 6 . 1 1 49 49 GLY H H 49 7.900 7.900 8.543 -0.643 18210 5431 1 6 . 1 1 50 50 PHE N N 50 111.884 111.884 113.373 -1.489 18210 5432 1 6 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.512 0.401 18210 5433 1 6 . 1 1 50 50 PHE C C 50 171.823 171.823 171.846 -0.023 18210 5434 1 6 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.670 -0.943 18210 5435 1 6 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.041 0.988 18210 5436 1 6 . 1 1 50 50 PHE H H 50 8.248 8.248 7.877 0.371 18210 5437 1 6 . 1 1 51 51 LYS N N 51 117.924 117.924 119.088 -1.164 18210 5438 1 6 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.283 0.101 18210 5439 1 6 . 1 1 51 51 LYS C C 51 176.140 176.140 174.503 1.637 18210 5440 1 6 . 1 1 51 51 LYS CA C 51 54.421 54.421 55.007 -0.586 18210 5441 1 6 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.289 0.631 18210 5442 1 6 . 1 1 51 51 LYS H H 51 7.857 7.857 7.853 0.004 18210 5443 1 6 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.293 -0.272 18210 5444 1 6 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.441 -4.250 18210 5445 1 6 . 1 1 52 52 CYS CB C 52 41.187 41.187 29.478 11.709 18210 5446 1 6 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.399 -0.022 18210 5447 1 6 . 1 1 53 53 PRO C C 53 177.624 177.624 177.013 0.611 18210 5448 1 6 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.030 -0.460 18210 5449 1 6 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.258 -1.002 18210 5450 1 6 . 1 1 54 54 SER HA H 54 4.106 4.106 4.275 -0.169 18210 5451 1 6 . 1 1 54 54 SER C C 54 174.271 174.271 174.530 -0.259 18210 5452 1 6 . 1 1 54 54 SER CA C 54 61.221 61.221 60.367 0.854 18210 5453 1 6 . 1 1 54 54 SER CB C 54 63.243 63.243 63.284 -0.041 18210 5454 1 6 . 1 1 55 55 ASN N N 55 115.116 115.116 116.628 -1.512 18210 5455 1 6 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.771 -0.098 18210 5456 1 6 . 1 1 55 55 ASN C C 55 174.556 174.556 174.857 -0.301 18210 5457 1 6 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.481 0.383 18210 5458 1 6 . 1 1 55 55 ASN CB C 55 36.924 36.924 39.013 -2.088 18210 5459 1 6 . 1 1 55 55 ASN H H 55 8.712 8.712 8.152 0.560 18210 5460 1 6 . 1 1 56 56 TYR N N 56 120.489 120.489 118.716 1.773 18210 5461 1 6 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.548 0.144 18210 5462 1 6 . 1 1 56 56 TYR C C 56 176.019 176.019 175.174 0.845 18210 5463 1 6 . 1 1 56 56 TYR CA C 56 57.469 57.469 58.094 -0.625 18210 5464 1 6 . 1 1 56 56 TYR CB C 56 38.698 38.698 40.523 -1.825 18210 5465 1 6 . 1 1 56 56 TYR H H 56 7.637 7.637 7.630 0.007 18210 5466 1 6 . 1 1 57 57 SER N N 57 117.381 117.381 115.559 1.822 18210 5467 1 6 . 1 1 57 57 SER HA H 57 4.915 4.915 4.803 0.112 18210 5468 1 6 . 1 1 57 57 SER C C 57 173.649 173.649 173.833 -0.184 18210 5469 1 6 . 1 1 57 57 SER CA C 57 57.586 57.586 56.449 1.137 18210 5470 1 6 . 1 1 57 57 SER CB C 57 64.766 64.766 64.126 0.639 18210 5471 1 6 . 1 1 57 57 SER H H 57 9.323 9.323 8.342 0.981 18210 5472 1 6 . 1 1 58 58 VAL N N 58 125.696 125.696 123.287 2.409 18210 5473 1 6 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.400 0.412 18210 5474 1 6 . 1 1 58 58 VAL C C 58 174.911 174.911 175.249 -0.338 18210 5475 1 6 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.563 0.326 18210 5476 1 6 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.388 0.797 18210 5477 1 6 . 1 1 58 58 VAL H H 58 8.474 8.474 8.800 -0.326 18210 5478 1 6 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.895 -0.235 18210 5479 1 6 . 1 1 59 59 GLU CA C 59 52.599 52.599 53.095 -0.496 18210 5480 1 6 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.176 -0.266 18210 5481 1 6 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.656 0.044 18210 5482 1 6 . 1 1 60 60 PRO C C 60 176.708 176.708 176.572 0.136 18210 5483 1 6 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.167 -0.436 18210 5484 1 6 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.334 1.671 18210 5485 1 6 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.599 -0.236 18210 5486 1 6 . 1 1 61 61 HIS C C 61 174.320 174.320 174.716 -0.396 18210 5487 1 6 . 1 1 61 61 HIS CA C 61 58.473 58.473 57.318 1.155 18210 5488 1 6 . 1 1 61 61 HIS CB C 61 28.515 28.515 30.958 -2.443 18210 5489 1 6 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.682 0.361 18210 5490 1 6 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.103 -1.765 18210 5491 1 6 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.503 -0.993 18210 5492 1 6 . 1 1 63 63 CYS N N 63 120.346 120.346 117.996 2.350 18210 5493 1 6 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.706 -0.483 18210 5494 1 6 . 1 1 63 63 CYS C C 63 171.976 171.976 175.460 -3.484 18210 5495 1 6 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.274 -0.770 18210 5496 1 6 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.953 13.128 18210 5497 1 6 . 1 1 63 63 CYS H H 63 6.446 6.446 8.222 -1.776 18210 5498 1 6 . 1 1 64 64 PHE N N 64 116.155 116.155 117.401 -1.246 18210 5499 1 6 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.448 -0.228 18210 5500 1 6 . 1 1 64 64 PHE C C 64 177.110 177.110 176.956 0.154 18210 5501 1 6 . 1 1 64 64 PHE CA C 64 59.591 59.591 58.995 0.596 18210 5502 1 6 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.920 3.229 18210 5503 1 6 . 1 1 64 64 PHE H H 64 7.697 7.697 7.663 0.034 18210 5504 1 6 . 1 1 65 65 VAL N N 65 119.794 119.794 119.192 0.602 18210 5505 1 6 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.670 0.295 18210 5506 1 6 . 1 1 65 65 VAL C C 65 176.948 176.948 176.004 0.944 18210 5507 1 6 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.930 1.033 18210 5508 1 6 . 1 1 65 65 VAL CB C 65 31.084 31.084 32.117 -1.033 18210 5509 1 6 . 1 1 65 65 VAL H H 65 8.449 8.449 7.149 1.300 18210 5510 1 6 . 1 1 66 66 SER N N 66 113.648 113.648 112.821 0.827 18210 5511 1 6 . 1 1 66 66 SER HA H 66 5.041 5.041 4.707 0.334 18210 5512 1 6 . 1 1 66 66 SER C C 66 173.905 173.905 172.658 1.247 18210 5513 1 6 . 1 1 66 66 SER CA C 66 56.701 56.701 56.969 -0.268 18210 5514 1 6 . 1 1 66 66 SER CB C 66 65.738 65.738 63.902 1.836 18210 5515 1 6 . 1 1 66 66 SER H H 66 7.706 7.706 7.670 0.036 18210 5516 1 6 . 1 1 67 67 ALA N N 67 115.370 115.370 126.791 -11.421 18210 5517 1 6 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.262 -0.218 18210 5518 1 6 . 1 1 67 67 ALA C C 67 175.316 175.316 174.527 0.789 18210 5519 1 6 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.641 0.481 18210 5520 1 6 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.628 3.199 18210 5521 1 6 . 1 1 67 67 ALA H H 67 9.280 9.280 7.586 1.694 18210 5522 1 6 . 1 1 68 68 PHE N N 68 116.820 116.820 117.586 -0.766 18210 5523 1 6 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.171 -0.172 18210 5524 1 6 . 1 1 68 68 PHE C C 68 176.533 176.533 176.493 0.040 18210 5525 1 6 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.954 0.584 18210 5526 1 6 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.588 -0.624 18210 5527 1 6 . 1 1 68 68 PHE H H 68 8.520 8.520 8.584 -0.064 18210 5528 1 6 . 1 1 69 69 ASN N N 69 118.203 118.203 121.303 -3.100 18210 5529 1 6 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.686 0.356 18210 5530 1 6 . 1 1 69 69 ASN C C 69 176.820 176.820 177.450 -0.630 18210 5531 1 6 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.776 -1.740 18210 5532 1 6 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.096 0.398 18210 5533 1 6 . 1 1 69 69 ASN H H 69 8.498 8.498 8.646 -0.148 18210 5534 1 6 . 1 1 70 70 LEU N N 70 118.189 118.189 120.866 -2.677 18210 5535 1 6 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.345 -0.066 18210 5536 1 6 . 1 1 70 70 LEU C C 70 178.484 178.484 177.891 0.593 18210 5537 1 6 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.868 -0.104 18210 5538 1 6 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.840 -0.202 18210 5539 1 6 . 1 1 70 70 LEU H H 70 8.514 8.514 8.843 -0.329 18210 5540 1 6 . 1 1 71 71 SER N N 71 113.939 113.939 112.647 1.292 18210 5541 1 6 . 1 1 71 71 SER HA H 71 4.572 4.572 4.493 0.079 18210 5542 1 6 . 1 1 71 71 SER C C 71 174.682 174.682 175.288 -0.606 18210 5543 1 6 . 1 1 71 71 SER CA C 71 58.758 58.758 58.501 0.257 18210 5544 1 6 . 1 1 71 71 SER CB C 71 63.762 63.762 63.269 0.493 18210 5545 1 6 . 1 1 71 71 SER H H 71 8.049 8.049 8.055 -0.006 18210 5546 1 6 . 1 1 72 72 GLY N N 72 109.936 109.936 108.211 1.725 18210 5547 1 6 . 1 1 72 72 GLY C C 72 173.549 173.549 173.740 -0.191 18210 5548 1 6 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.518 0.120 18210 5549 1 6 . 1 1 72 72 GLY H H 72 8.641 8.641 7.968 0.673 18210 5550 1 6 . 1 1 73 73 LYS N N 73 119.884 119.884 119.329 0.555 18210 5551 1 6 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.527 0.026 18210 5552 1 6 . 1 1 73 73 LYS C C 73 175.750 175.750 175.392 0.358 18210 5553 1 6 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.920 -0.262 18210 5554 1 6 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.749 -0.008 18210 5555 1 6 . 1 1 73 73 LYS H H 73 7.738 7.738 7.829 -0.091 18210 5556 1 6 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.783 -0.263 18210 5557 1 6 . 1 1 74 74 ASN C C 74 174.680 174.680 174.999 -0.319 18210 5558 1 6 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.345 0.887 18210 5559 1 6 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.480 0.847 18210 5560 1 6 . 1 1 75 75 GLU N N 75 124.834 124.834 126.291 -1.457 18210 5561 1 6 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.429 0.169 18210 5562 1 6 . 1 1 75 75 GLU C C 75 174.547 174.547 175.785 -1.238 18210 5563 1 6 . 1 1 75 75 GLU CA C 75 54.887 54.887 54.848 0.039 18210 5564 1 6 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.840 -0.932 18210 5565 1 6 . 1 1 75 75 GLU H H 75 8.835 8.835 8.374 0.461 18210 5566 1 6 . 1 1 76 76 ASN N N 76 121.549 121.549 121.487 0.062 18210 5567 1 6 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.747 -0.072 18210 5568 1 6 . 1 1 76 76 ASN C C 76 175.670 175.670 175.964 -0.294 18210 5569 1 6 . 1 1 76 76 ASN CA C 76 54.120 54.120 53.987 0.133 18210 5570 1 6 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.772 0.270 18210 5571 1 6 . 1 1 76 76 ASN H H 76 8.580 8.580 8.693 -0.113 18210 5572 1 6 . 1 1 77 77 LEU N N 77 125.808 125.808 124.335 1.473 18210 5573 1 6 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.542 -0.435 18210 5574 1 6 . 1 1 77 77 LEU C C 77 178.104 178.104 177.225 0.879 18210 5575 1 6 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.401 1.590 18210 5576 1 6 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.874 -0.490 18210 5577 1 6 . 1 1 77 77 LEU H H 77 8.610 8.610 8.326 0.284 18210 5578 1 6 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.141 -0.125 18210 5579 1 6 . 1 1 78 78 GLU C C 78 176.833 176.833 178.028 -1.195 18210 5580 1 6 . 1 1 78 78 GLU CA C 78 59.650 59.650 59.010 0.640 18210 5581 1 6 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.590 1.094 18210 5582 1 6 . 1 1 79 79 ASN N N 79 114.719 114.719 116.645 -1.926 18210 5583 1 6 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.430 0.134 18210 5584 1 6 . 1 1 79 79 ASN C C 79 175.510 175.510 176.297 -0.787 18210 5585 1 6 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.139 -0.747 18210 5586 1 6 . 1 1 79 79 ASN CB C 79 38.718 38.718 38.071 0.647 18210 5587 1 6 . 1 1 79 79 ASN H H 79 8.257 8.257 8.182 0.075 18210 5588 1 6 . 1 1 80 80 LYS N N 80 118.906 118.906 118.363 0.543 18210 5589 1 6 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.203 0.090 18210 5590 1 6 . 1 1 80 80 LYS C C 80 175.748 175.748 176.353 -0.605 18210 5591 1 6 . 1 1 80 80 LYS CA C 80 57.765 57.765 56.954 0.811 18210 5592 1 6 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.090 1.255 18210 5593 1 6 . 1 1 80 80 LYS H H 80 7.818 7.818 7.197 0.621 18210 5594 1 6 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.384 -0.234 18210 5595 1 6 . 1 1 81 81 LEU C C 81 174.688 174.688 175.124 -0.436 18210 5596 1 6 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.747 0.775 18210 5597 1 6 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.493 -1.430 18210 5598 1 6 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.216 -0.047 18210 5599 1 6 . 1 1 82 82 LYS C C 82 175.701 175.701 175.608 0.093 18210 5600 1 6 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.427 0.741 18210 5601 1 6 . 1 1 82 82 LYS CB C 82 30.017 30.017 29.998 0.019 18210 5602 1 6 . 1 1 83 83 LEU N N 83 120.762 120.762 124.700 -3.938 18210 5603 1 6 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.324 0.096 18210 5604 1 6 . 1 1 83 83 LEU C C 83 177.184 177.184 177.663 -0.479 18210 5605 1 6 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.813 0.406 18210 5606 1 6 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.819 -0.508 18210 5607 1 6 . 1 1 83 83 LEU H H 83 7.485 7.485 7.862 -0.377 18210 5608 1 6 . 1 1 84 84 THR N N 84 110.955 110.955 114.329 -3.374 18210 5609 1 6 . 1 1 84 84 THR HA H 84 4.712 4.712 4.588 0.124 18210 5610 1 6 . 1 1 84 84 THR C C 84 173.001 173.001 174.045 -1.044 18210 5611 1 6 . 1 1 84 84 THR CA C 84 59.883 59.883 60.675 -0.791 18210 5612 1 6 . 1 1 84 84 THR CB C 84 71.825 71.825 71.751 0.074 18210 5613 1 6 . 1 1 84 84 THR H H 84 8.519 8.519 8.453 0.066 18210 5614 1 6 . 1 1 85 85 ASN N N 85 117.589 117.589 117.452 0.137 18210 5615 1 6 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.423 -0.277 18210 5616 1 6 . 1 1 85 85 ASN C C 85 173.572 173.572 174.441 -0.869 18210 5617 1 6 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.806 0.513 18210 5618 1 6 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.145 1.763 18210 5619 1 6 . 1 1 85 85 ASN H H 85 8.850 8.850 8.754 0.096 18210 5620 1 6 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.183 0.109 18210 5621 1 6 . 1 1 86 86 ILE C C 86 177.346 177.346 176.095 1.251 18210 5622 1 6 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.574 1.233 18210 5623 1 6 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.852 -0.153 18210 5624 1 6 . 1 1 87 87 ILE N N 87 131.807 131.807 129.040 2.767 18210 5625 1 6 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.515 -0.260 18210 5626 1 6 . 1 1 87 87 ILE C C 87 174.493 174.493 174.372 0.121 18210 5627 1 6 . 1 1 87 87 ILE CA C 87 60.152 60.152 60.047 0.105 18210 5628 1 6 . 1 1 87 87 ILE CB C 87 41.110 41.110 38.671 2.439 18210 5629 1 6 . 1 1 87 87 ILE H H 87 9.166 9.166 8.472 0.694 18210 5630 1 6 . 1 1 88 88 MET HA H 88 4.017 4.017 4.688 -0.671 18210 5631 1 6 . 1 1 88 88 MET C C 88 173.613 173.613 174.437 -0.824 18210 5632 1 6 . 1 1 88 88 MET CA C 88 53.287 53.287 54.942 -1.655 18210 5633 1 6 . 1 1 88 88 MET CB C 88 33.478 33.478 34.628 -1.150 18210 5634 1 6 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.891 -0.194 18210 5635 1 6 . 1 1 89 89 ASP C C 89 176.750 176.750 175.816 0.934 18210 5636 1 6 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.838 -0.737 18210 5637 1 6 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.329 -1.138 18210 5638 1 6 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.378 0.063 18210 5639 1 6 . 1 1 90 90 HIS C C 90 175.625 175.625 176.860 -1.235 18210 5640 1 6 . 1 1 90 90 HIS CA C 90 58.254 58.254 59.107 -0.853 18210 5641 1 6 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.475 -1.896 18210 5642 1 6 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.236 0.204 18210 5643 1 6 . 1 1 91 91 TYR C C 91 177.915 177.915 175.773 2.142 18210 5644 1 6 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.186 -0.426 18210 5645 1 6 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.564 -0.497 18210 5646 1 6 . 1 1 92 92 ASN N N 92 113.661 113.661 112.791 0.870 18210 5647 1 6 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.423 0.350 18210 5648 1 6 . 1 1 92 92 ASN C C 92 174.762 174.762 174.493 0.269 18210 5649 1 6 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.798 -0.183 18210 5650 1 6 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.138 1.144 18210 5651 1 6 . 1 1 92 92 ASN H H 92 7.713 7.713 8.466 -0.753 18210 5652 1 6 . 1 1 93 93 ASN N N 93 125.176 125.176 114.872 10.304 18210 5653 1 6 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.287 0.422 18210 5654 1 6 . 1 1 93 93 ASN C C 93 172.729 172.729 173.380 -0.651 18210 5655 1 6 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.436 -1.701 18210 5656 1 6 . 1 1 93 93 ASN CB C 93 37.961 37.961 37.340 0.621 18210 5657 1 6 . 1 1 93 93 ASN H H 93 7.804 7.804 7.588 0.216 18210 5658 1 6 . 1 1 94 94 THR N N 94 109.900 109.900 112.085 -2.185 18210 5659 1 6 . 1 1 94 94 THR HA H 94 4.852 4.852 4.911 -0.059 18210 5660 1 6 . 1 1 94 94 THR C C 94 170.824 170.824 171.633 -0.809 18210 5661 1 6 . 1 1 94 94 THR CA C 94 61.817 61.817 60.464 1.353 18210 5662 1 6 . 1 1 94 94 THR CB C 94 71.074 71.074 70.870 0.204 18210 5663 1 6 . 1 1 94 94 THR H H 94 7.654 7.654 7.407 0.247 18210 5664 1 6 . 1 1 95 95 PHE N N 95 126.721 126.721 125.065 1.656 18210 5665 1 6 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.027 0.081 18210 5666 1 6 . 1 1 95 95 PHE C C 95 174.143 174.143 173.972 0.171 18210 5667 1 6 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.883 -0.314 18210 5668 1 6 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.722 0.071 18210 5669 1 6 . 1 1 95 95 PHE H H 95 8.166 8.166 7.704 0.462 18210 5670 1 6 . 1 1 96 96 TYR N N 96 115.709 115.709 120.291 -4.582 18210 5671 1 6 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.481 0.586 18210 5672 1 6 . 1 1 96 96 TYR C C 96 175.734 175.734 174.643 1.091 18210 5673 1 6 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.661 -0.229 18210 5674 1 6 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.912 1.255 18210 5675 1 6 . 1 1 96 96 TYR H H 96 9.149 9.149 8.665 0.484 18210 5676 1 6 . 1 1 97 97 SER N N 97 109.503 109.503 114.487 -4.984 18210 5677 1 6 . 1 1 97 97 SER HA H 97 4.430 4.430 4.938 -0.508 18210 5678 1 6 . 1 1 97 97 SER C C 97 170.684 170.684 172.983 -2.299 18210 5679 1 6 . 1 1 97 97 SER CA C 97 59.324 59.324 57.249 2.075 18210 5680 1 6 . 1 1 97 97 SER CB C 97 66.341 66.341 64.957 1.384 18210 5681 1 6 . 1 1 97 97 SER H H 97 8.921 8.921 9.288 -0.367 18210 5682 1 6 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.717 0.677 18210 5683 1 6 . 1 1 98 98 ARG C C 98 175.850 175.850 174.766 1.084 18210 5684 1 6 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.950 -0.774 18210 5685 1 6 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.392 0.735 18210 5686 1 6 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.665 -0.335 18210 5687 1 6 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.613 1.193 18210 5688 1 6 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.286 -1.383 18210 5689 1 6 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.365 0.311 18210 5690 1 6 . 1 1 100 100 PRO C C 100 175.744 175.744 176.580 -0.836 18210 5691 1 6 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.029 -0.740 18210 5692 1 6 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.616 0.170 18210 5693 1 6 . 1 1 101 101 SER HA H 101 4.126 4.126 4.350 -0.224 18210 5694 1 6 . 1 1 101 101 SER C C 101 173.214 173.214 174.016 -0.802 18210 5695 1 6 . 1 1 101 101 SER CA C 101 60.265 60.265 59.902 0.363 18210 5696 1 6 . 1 1 101 101 SER CB C 101 63.660 63.660 63.616 0.044 18210 5697 1 6 . 1 1 102 102 LEU N N 102 121.389 121.389 121.544 -0.155 18210 5698 1 6 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.580 -0.048 18210 5699 1 6 . 1 1 102 102 LEU C C 102 175.187 175.187 175.195 -0.008 18210 5700 1 6 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.762 -0.076 18210 5701 1 6 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.267 0.113 18210 5702 1 6 . 1 1 102 102 LEU H H 102 7.179 7.179 7.416 -0.237 18210 5703 1 6 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.441 0.002 18210 5704 1 6 . 1 1 103 103 ILE C C 103 175.490 175.490 175.645 -0.155 18210 5705 1 6 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.349 -1.440 18210 5706 1 6 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.272 0.406 18210 5707 1 6 . 1 1 104 104 SER N N 104 120.807 120.807 121.153 -0.346 18210 5708 1 6 . 1 1 104 104 SER HA H 104 4.581 4.581 4.559 0.022 18210 5709 1 6 . 1 1 104 104 SER C C 104 173.234 173.234 174.381 -1.147 18210 5710 1 6 . 1 1 104 104 SER CA C 104 58.166 58.166 58.309 -0.143 18210 5711 1 6 . 1 1 104 104 SER CB C 104 64.341 64.341 63.741 0.600 18210 5712 1 6 . 1 1 104 104 SER H H 104 8.471 8.471 8.430 0.041 18210 5713 1 6 . 1 1 105 105 ASP N N 105 119.103 119.103 122.046 -2.943 18210 5714 1 6 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.824 -0.175 18210 5715 1 6 . 1 1 105 105 ASP C C 105 174.991 174.991 175.857 -0.866 18210 5716 1 6 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.242 -0.507 18210 5717 1 6 . 1 1 105 105 ASP CB C 105 42.477 42.477 41.825 0.652 18210 5718 1 6 . 1 1 105 105 ASP H H 105 8.060 8.060 8.072 -0.012 18210 5719 1 6 . 1 1 106 106 ASN N N 106 116.036 116.036 118.230 -2.194 18210 5720 1 6 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.876 -0.141 18210 5721 1 6 . 1 1 106 106 ASN C C 106 174.308 174.308 175.292 -0.984 18210 5722 1 6 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.524 1.256 18210 5723 1 6 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.146 0.876 18210 5724 1 6 . 1 1 106 106 ASN H H 106 8.389 8.389 8.462 -0.073 18210 5725 1 6 . 1 1 107 107 TRP N N 107 119.645 119.645 120.100 -0.455 18210 5726 1 6 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.667 0.162 18210 5727 1 6 . 1 1 107 107 TRP C C 107 174.949 174.949 174.521 0.428 18210 5728 1 6 . 1 1 107 107 TRP CA C 107 56.192 56.192 55.924 0.268 18210 5729 1 6 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.800 2.413 18210 5730 1 6 . 1 1 107 107 TRP H H 107 7.846 7.846 7.740 0.106 18210 5731 1 6 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.719 0.743 18210 5732 1 6 . 1 1 108 108 LYS C C 108 174.986 174.986 174.899 0.087 18210 5733 1 6 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.379 0.817 18210 5734 1 6 . 1 1 108 108 LYS CB C 108 36.215 36.215 35.608 0.607 18210 5735 1 6 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.339 0.206 18210 5736 1 6 . 1 1 109 109 PHE C C 109 172.950 172.950 172.561 0.389 18210 5737 1 6 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.114 0.306 18210 5738 1 6 . 1 1 109 109 PHE CB C 109 41.891 41.891 41.959 -0.068 18210 5739 1 6 . 1 1 110 110 PHE N N 110 115.390 115.390 114.837 0.553 18210 5740 1 6 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.126 0.906 18210 5741 1 6 . 1 1 110 110 PHE C C 110 173.892 173.892 173.647 0.245 18210 5742 1 6 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.407 0.825 18210 5743 1 6 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.861 2.505 18210 5744 1 6 . 1 1 110 110 PHE H H 110 9.267 9.267 7.621 1.646 18210 5745 1 6 . 1 1 111 111 CYS N N 111 116.463 116.463 117.676 -1.213 18210 5746 1 6 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.981 0.080 18210 5747 1 6 . 1 1 111 111 CYS C C 111 171.900 171.900 173.178 -1.278 18210 5748 1 6 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.560 -3.708 18210 5749 1 6 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.314 16.516 18210 5750 1 6 . 1 1 111 111 CYS H H 111 9.274 9.274 8.713 0.561 18210 5751 1 6 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.209 -0.007 18210 5752 1 6 . 1 1 112 112 VAL C C 112 175.041 175.041 174.450 0.591 18210 5753 1 6 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.399 0.044 18210 5754 1 6 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.026 0.551 18210 5755 1 6 . 1 1 112 112 VAL H H 112 9.605 9.605 8.494 1.111 18210 5756 1 6 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.649 0.111 18210 5757 1 6 . 1 1 113 113 CYS C C 113 173.601 173.601 173.979 -0.378 18210 5758 1 6 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.518 -4.697 18210 5759 1 6 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.475 14.471 18210 5760 1 6 . 1 1 114 114 SER N N 114 117.968 117.968 118.630 -0.662 18210 5761 1 6 . 1 1 114 114 SER HA H 114 5.093 5.093 5.017 0.076 18210 5762 1 6 . 1 1 114 114 SER C C 114 172.267 172.267 172.643 -0.376 18210 5763 1 6 . 1 1 114 114 SER CA C 114 56.677 56.677 58.182 -1.505 18210 5764 1 6 . 1 1 114 114 SER CB C 114 66.795 66.795 65.983 0.812 18210 5765 1 6 . 1 1 114 114 SER H H 114 9.250 9.250 9.311 -0.061 18210 5766 1 6 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.460 -0.354 18210 5767 1 6 . 1 1 115 115 LYS C C 115 174.527 174.527 174.448 0.079 18210 5768 1 6 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.135 0.787 18210 5769 1 6 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.337 -2.328 18210 5770 1 6 . 1 1 115 115 LYS H H 115 8.705 8.705 8.334 0.371 18210 5771 1 6 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.503 -0.312 18210 5772 1 6 . 1 1 116 116 ASP C C 116 176.002 176.002 176.660 -0.658 18210 5773 1 6 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.331 0.983 18210 5774 1 6 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.953 -0.506 18210 5775 1 6 . 1 1 117 117 ASN N N 117 116.913 116.913 119.683 -2.770 18210 5776 1 6 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.186 0.253 18210 5777 1 6 . 1 1 117 117 ASN C C 117 174.246 174.246 173.722 0.524 18210 5778 1 6 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.587 -0.155 18210 5779 1 6 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.091 0.091 18210 5780 1 6 . 1 1 117 117 ASN H H 117 8.752 8.752 8.618 0.134 18210 5781 1 6 . 1 1 118 118 GLU N N 118 116.615 116.615 118.008 -1.393 18210 5782 1 6 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.450 0.310 18210 5783 1 6 . 1 1 118 118 GLU C C 118 177.397 177.397 175.421 1.976 18210 5784 1 6 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.319 -1.010 18210 5785 1 6 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.224 -2.133 18210 5786 1 6 . 1 1 118 118 GLU H H 118 7.819 7.819 8.211 -0.392 18210 5787 1 6 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.110 0.055 18210 5788 1 6 . 1 1 119 119 LYS C C 119 177.626 177.626 176.941 0.685 18210 5789 1 6 . 1 1 119 119 LYS CA C 119 57.540 57.540 56.782 0.758 18210 5790 1 6 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.871 -0.026 18210 5791 1 6 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.382 -0.077 18210 5792 1 6 . 1 1 120 120 LYS C C 120 174.312 174.312 175.589 -1.277 18210 5793 1 6 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.919 1.187 18210 5794 1 6 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.753 -0.565 18210 5795 1 6 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.357 0.202 18210 5796 1 6 . 1 1 121 121 LEU C C 121 174.893 174.893 175.110 -0.217 18210 5797 1 6 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.541 -0.937 18210 5798 1 6 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.780 -3.174 18210 5799 1 6 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.685 -0.324 18210 5800 1 6 . 1 1 122 122 VAL C C 122 173.909 173.909 174.317 -0.408 18210 5801 1 6 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.282 0.746 18210 5802 1 6 . 1 1 122 122 VAL CB C 122 33.594 33.594 34.115 -0.521 18210 5803 1 6 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.894 0.281 18210 5804 1 6 . 1 1 123 123 PHE C C 123 173.230 173.230 173.084 0.146 18210 5805 1 6 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.063 0.251 18210 5806 1 6 . 1 1 123 123 PHE CB C 123 40.832 40.832 42.029 -1.197 18210 5807 1 6 . 1 1 124 124 THR N N 124 121.688 121.688 123.180 -1.492 18210 5808 1 6 . 1 1 124 124 THR HA H 124 4.885 4.885 4.625 0.260 18210 5809 1 6 . 1 1 124 124 THR C C 124 170.874 170.874 172.143 -1.269 18210 5810 1 6 . 1 1 124 124 THR CA C 124 60.087 60.087 59.850 0.237 18210 5811 1 6 . 1 1 124 124 THR CB C 124 70.942 70.942 71.220 -0.278 18210 5812 1 6 . 1 1 124 124 THR H H 124 8.493 8.493 8.403 0.090 18210 5813 1 6 . 1 1 125 125 VAL N N 125 125.781 125.781 120.161 5.620 18210 5814 1 6 . 1 1 125 125 VAL HA H 125 4.516 4.516 4.990 -0.474 18210 5815 1 6 . 1 1 125 125 VAL C C 125 173.796 173.796 172.695 1.101 18210 5816 1 6 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.819 0.973 18210 5817 1 6 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.527 -2.293 18210 5818 1 6 . 1 1 125 125 VAL H H 125 8.275 8.275 7.700 0.575 18210 5819 1 6 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.648 0.241 18210 5820 1 6 . 1 1 126 126 GLU C C 126 173.519 173.519 174.465 -0.946 18210 5821 1 6 . 1 1 126 126 GLU CA C 126 53.966 53.966 53.800 0.166 18210 5822 1 6 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.757 -0.795 18210 5823 1 6 . 1 1 126 126 GLU H H 126 8.262 8.262 7.856 0.406 18210 5824 1 7 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.693 -0.524 18210 5825 1 7 . 1 1 2 2 LYS C C 2 176.160 176.160 175.555 0.605 18210 5826 1 7 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.354 0.611 18210 5827 1 7 . 1 1 2 2 LYS CB C 2 33.265 33.265 34.996 -1.731 18210 5828 1 7 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.178 -0.265 18210 5829 1 7 . 1 1 3 3 VAL C C 3 175.820 175.820 175.320 0.500 18210 5830 1 7 . 1 1 3 3 VAL CA C 3 62.488 62.488 62.075 0.413 18210 5831 1 7 . 1 1 3 3 VAL CB C 3 32.780 32.780 33.200 -0.420 18210 5832 1 7 . 1 1 4 4 LYS N N 4 129.029 129.029 127.861 1.168 18210 5833 1 7 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.496 0.011 18210 5834 1 7 . 1 1 4 4 LYS C C 4 174.923 174.923 175.907 -0.984 18210 5835 1 7 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.375 0.928 18210 5836 1 7 . 1 1 4 4 LYS CB C 4 32.251 32.251 31.946 0.305 18210 5837 1 7 . 1 1 4 4 LYS H H 4 8.507 8.507 8.407 0.100 18210 5838 1 7 . 1 1 5 5 GLY N N 5 110.242 110.242 110.004 0.238 18210 5839 1 7 . 1 1 5 5 GLY C C 5 173.333 173.333 171.890 1.443 18210 5840 1 7 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.545 0.719 18210 5841 1 7 . 1 1 5 5 GLY H H 5 8.138 8.138 8.131 0.007 18210 5842 1 7 . 1 1 6 6 CYS N N 6 114.306 114.306 120.226 -5.920 18210 5843 1 7 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.015 0.236 18210 5844 1 7 . 1 1 6 6 CYS C C 6 170.891 170.891 173.085 -2.194 18210 5845 1 7 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.428 -2.578 18210 5846 1 7 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.279 21.871 18210 5847 1 7 . 1 1 6 6 CYS H H 6 6.750 6.750 8.361 -1.611 18210 5848 1 7 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.766 -0.018 18210 5849 1 7 . 1 1 7 7 ASP C C 7 175.607 175.607 175.558 0.049 18210 5850 1 7 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.681 -0.443 18210 5851 1 7 . 1 1 7 7 ASP CB C 7 41.617 41.617 41.708 -0.091 18210 5852 1 7 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.628 0.249 18210 5853 1 7 . 1 1 8 8 PHE C C 8 173.972 173.972 176.098 -2.126 18210 5854 1 7 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.692 0.763 18210 5855 1 7 . 1 1 8 8 PHE CB C 8 39.219 39.219 39.087 0.132 18210 5856 1 7 . 1 1 9 9 THR N N 9 105.421 105.421 112.864 -7.443 18210 5857 1 7 . 1 1 9 9 THR HA H 9 4.611 4.611 4.526 0.085 18210 5858 1 7 . 1 1 9 9 THR C C 9 174.505 174.505 174.401 0.104 18210 5859 1 7 . 1 1 9 9 THR CA C 9 61.988 61.988 62.972 -0.984 18210 5860 1 7 . 1 1 9 9 THR CB C 9 70.385 70.385 69.948 0.437 18210 5861 1 7 . 1 1 9 9 THR H H 9 8.996 8.996 8.560 0.436 18210 5862 1 7 . 1 1 10 10 THR N N 10 118.757 118.757 115.754 3.003 18210 5863 1 7 . 1 1 10 10 THR HA H 10 4.526 4.526 4.685 -0.159 18210 5864 1 7 . 1 1 10 10 THR C C 10 171.202 171.202 174.071 -2.869 18210 5865 1 7 . 1 1 10 10 THR CA C 10 60.774 60.774 61.695 -0.921 18210 5866 1 7 . 1 1 10 10 THR CB C 10 68.040 68.040 71.630 -3.590 18210 5867 1 7 . 1 1 10 10 THR H H 10 7.199 7.199 7.655 -0.457 18210 5868 1 7 . 1 1 11 11 SER N N 11 117.117 117.117 119.777 -2.660 18210 5869 1 7 . 1 1 11 11 SER HA H 11 3.907 3.907 4.176 -0.269 18210 5870 1 7 . 1 1 11 11 SER C C 11 174.988 174.988 174.799 0.189 18210 5871 1 7 . 1 1 11 11 SER CA C 11 59.563 59.563 60.295 -0.732 18210 5872 1 7 . 1 1 11 11 SER CB C 11 63.599 63.599 63.623 -0.024 18210 5873 1 7 . 1 1 11 11 SER H H 11 7.997 7.997 8.761 -0.764 18210 5874 1 7 . 1 1 12 12 GLU N N 12 125.013 125.013 119.491 5.522 18210 5875 1 7 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.522 0.043 18210 5876 1 7 . 1 1 12 12 GLU C C 12 175.108 175.108 175.538 -0.430 18210 5877 1 7 . 1 1 12 12 GLU CA C 12 54.259 54.259 54.933 -0.674 18210 5878 1 7 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.634 0.294 18210 5879 1 7 . 1 1 12 12 GLU H H 12 8.375 8.375 8.272 0.103 18210 5880 1 7 . 1 1 13 13 SER N N 13 114.959 114.959 116.473 -1.514 18210 5881 1 7 . 1 1 13 13 SER HA H 13 4.130 4.130 4.496 -0.366 18210 5882 1 7 . 1 1 13 13 SER C C 13 176.833 176.833 175.018 1.815 18210 5883 1 7 . 1 1 13 13 SER CA C 13 58.707 58.707 58.282 0.425 18210 5884 1 7 . 1 1 13 13 SER CB C 13 63.598 63.598 65.160 -1.562 18210 5885 1 7 . 1 1 13 13 SER H H 13 7.879 7.879 8.062 -0.183 18210 5886 1 7 . 1 1 14 14 THR N N 14 117.688 117.688 116.627 1.061 18210 5887 1 7 . 1 1 14 14 THR HA H 14 4.348 4.348 4.466 -0.118 18210 5888 1 7 . 1 1 14 14 THR C C 14 174.550 174.550 174.749 -0.199 18210 5889 1 7 . 1 1 14 14 THR CA C 14 62.435 62.435 62.707 -0.272 18210 5890 1 7 . 1 1 14 14 THR CB C 14 69.114 69.114 68.401 0.713 18210 5891 1 7 . 1 1 14 14 THR H H 14 8.978 8.978 8.888 0.090 18210 5892 1 7 . 1 1 15 15 ILE N N 15 118.851 118.851 113.601 5.250 18210 5893 1 7 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.320 -0.282 18210 5894 1 7 . 1 1 15 15 ILE C C 15 175.389 175.389 173.605 1.784 18210 5895 1 7 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.631 2.069 18210 5896 1 7 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.290 2.157 18210 5897 1 7 . 1 1 15 15 ILE H H 15 7.947 7.947 7.766 0.181 18210 5898 1 7 . 1 1 16 16 PHE N N 16 116.409 116.409 120.055 -3.646 18210 5899 1 7 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.492 0.026 18210 5900 1 7 . 1 1 16 16 PHE C C 16 176.700 176.700 176.447 0.253 18210 5901 1 7 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.331 1.131 18210 5902 1 7 . 1 1 16 16 PHE CB C 16 42.712 42.712 41.091 1.621 18210 5903 1 7 . 1 1 16 16 PHE H H 16 7.792 7.792 7.828 -0.036 18210 5904 1 7 . 1 1 17 17 SER N N 17 114.126 114.126 116.064 -1.938 18210 5905 1 7 . 1 1 17 17 SER HA H 17 3.984 3.984 4.375 -0.391 18210 5906 1 7 . 1 1 17 17 SER C C 17 174.203 174.203 174.706 -0.503 18210 5907 1 7 . 1 1 17 17 SER CA C 17 61.176 61.176 60.372 0.804 18210 5908 1 7 . 1 1 17 17 SER CB C 17 63.438 63.438 63.925 -0.487 18210 5909 1 7 . 1 1 17 17 SER H H 17 8.666 8.666 8.715 -0.049 18210 5910 1 7 . 1 1 18 18 LYS N N 18 122.828 122.828 119.030 3.798 18210 5911 1 7 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.526 0.232 18210 5912 1 7 . 1 1 18 18 LYS C C 18 174.029 174.029 174.726 -0.697 18210 5913 1 7 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.434 0.227 18210 5914 1 7 . 1 1 18 18 LYS CB C 18 35.049 35.049 36.562 -1.513 18210 5915 1 7 . 1 1 18 18 LYS H H 18 8.031 8.031 7.346 0.685 18210 5916 1 7 . 1 1 19 19 GLY N N 19 112.051 112.051 107.403 4.648 18210 5917 1 7 . 1 1 19 19 GLY C C 19 172.307 172.307 172.646 -0.339 18210 5918 1 7 . 1 1 19 19 GLY CA C 19 44.946 44.946 44.995 -0.049 18210 5919 1 7 . 1 1 19 19 GLY H H 19 8.092 8.092 8.036 0.056 18210 5920 1 7 . 1 1 20 20 TYR N N 20 120.060 120.060 119.336 0.724 18210 5921 1 7 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.670 -0.100 18210 5922 1 7 . 1 1 20 20 TYR C C 20 173.557 173.557 174.438 -0.881 18210 5923 1 7 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.498 0.014 18210 5924 1 7 . 1 1 20 20 TYR CB C 20 43.091 43.091 41.822 1.269 18210 5925 1 7 . 1 1 20 20 TYR H H 20 7.968 7.968 8.646 -0.678 18210 5926 1 7 . 1 1 21 21 SER N N 21 115.201 115.201 115.736 -0.535 18210 5927 1 7 . 1 1 21 21 SER HA H 21 4.562 4.562 4.676 -0.114 18210 5928 1 7 . 1 1 21 21 SER C C 21 176.172 176.172 176.050 0.122 18210 5929 1 7 . 1 1 21 21 SER CA C 21 56.537 56.537 55.718 0.819 18210 5930 1 7 . 1 1 21 21 SER CB C 21 65.257 65.257 64.696 0.561 18210 5931 1 7 . 1 1 21 21 SER H H 21 8.761 8.761 8.417 0.344 18210 5932 1 7 . 1 1 22 22 ILE N N 22 122.867 122.867 120.007 2.860 18210 5933 1 7 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.936 0.223 18210 5934 1 7 . 1 1 22 22 ILE C C 22 177.561 177.561 175.745 1.816 18210 5935 1 7 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.287 -0.574 18210 5936 1 7 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.933 -0.078 18210 5937 1 7 . 1 1 22 22 ILE H H 22 8.646 8.646 8.534 0.112 18210 5938 1 7 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.615 -0.070 18210 5939 1 7 . 1 1 23 23 ASN C C 23 176.647 176.647 177.244 -0.597 18210 5940 1 7 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.696 -0.189 18210 5941 1 7 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.798 -0.345 18210 5942 1 7 . 1 1 24 24 GLU N N 24 118.601 118.601 118.970 -0.369 18210 5943 1 7 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.196 0.090 18210 5944 1 7 . 1 1 24 24 GLU C C 24 177.998 177.998 178.641 -0.643 18210 5945 1 7 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.355 -1.049 18210 5946 1 7 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.145 1.513 18210 5947 1 7 . 1 1 24 24 GLU H H 24 7.837 7.837 8.578 -0.741 18210 5948 1 7 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.224 -0.051 18210 5949 1 7 . 1 1 25 25 ILE C C 25 176.641 176.641 177.308 -0.667 18210 5950 1 7 . 1 1 25 25 ILE CA C 25 62.612 62.612 62.859 -0.247 18210 5951 1 7 . 1 1 25 25 ILE CB C 25 38.360 38.360 37.646 0.714 18210 5952 1 7 . 1 1 26 26 SER N N 26 116.293 116.293 117.188 -0.895 18210 5953 1 7 . 1 1 26 26 SER HA H 26 4.663 4.663 4.485 0.178 18210 5954 1 7 . 1 1 26 26 SER C C 26 174.462 174.462 176.048 -1.586 18210 5955 1 7 . 1 1 26 26 SER CA C 26 58.392 58.392 61.449 -3.057 18210 5956 1 7 . 1 1 26 26 SER CB C 26 64.380 64.380 63.995 0.385 18210 5957 1 7 . 1 1 26 26 SER H H 26 7.813 7.813 8.401 -0.588 18210 5958 1 7 . 1 1 27 27 ASN N N 27 121.919 121.919 119.370 2.549 18210 5959 1 7 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.829 -0.108 18210 5960 1 7 . 1 1 27 27 ASN C C 27 175.869 175.869 176.189 -0.320 18210 5961 1 7 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.985 0.025 18210 5962 1 7 . 1 1 27 27 ASN CB C 27 38.640 38.640 39.531 -0.891 18210 5963 1 7 . 1 1 27 27 ASN H H 27 8.521 8.521 8.298 0.223 18210 5964 1 7 . 1 1 28 28 LYS N N 28 121.697 121.697 122.549 -0.852 18210 5965 1 7 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.168 0.192 18210 5966 1 7 . 1 1 28 28 LYS C C 28 176.952 176.952 175.726 1.226 18210 5967 1 7 . 1 1 28 28 LYS CA C 28 56.967 56.967 56.967 0.000 18210 5968 1 7 . 1 1 28 28 LYS CB C 28 32.730 32.730 30.424 2.306 18210 5969 1 7 . 1 1 28 28 LYS H H 28 8.367 8.367 8.476 -0.109 18210 5970 1 7 . 1 1 29 29 SER HA H 29 4.498 4.498 4.790 -0.292 18210 5971 1 7 . 1 1 29 29 SER C C 29 174.741 174.741 173.850 0.891 18210 5972 1 7 . 1 1 29 29 SER CA C 29 58.557 58.557 57.627 0.930 18210 5973 1 7 . 1 1 29 29 SER CB C 29 63.945 63.945 64.079 -0.134 18210 5974 1 7 . 1 1 30 30 SER N N 30 116.470 116.470 123.838 -7.368 18210 5975 1 7 . 1 1 30 30 SER HA H 30 4.429 4.429 4.512 -0.083 18210 5976 1 7 . 1 1 30 30 SER C C 30 174.467 174.467 174.061 0.406 18210 5977 1 7 . 1 1 30 30 SER CA C 30 58.616 58.616 58.513 0.103 18210 5978 1 7 . 1 1 30 30 SER CB C 30 63.834 63.834 61.938 1.896 18210 5979 1 7 . 1 1 30 30 SER H H 30 8.140 8.140 8.952 -0.812 18210 5980 1 7 . 1 1 31 31 ASN N N 31 119.457 119.457 119.447 0.010 18210 5981 1 7 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.762 -0.065 18210 5982 1 7 . 1 1 31 31 ASN C C 31 174.930 174.930 174.916 0.014 18210 5983 1 7 . 1 1 31 31 ASN CA C 31 53.583 53.583 53.684 -0.101 18210 5984 1 7 . 1 1 31 31 ASN CB C 31 38.733 38.733 39.835 -1.102 18210 5985 1 7 . 1 1 31 31 ASN H H 31 8.354 8.354 8.383 -0.029 18210 5986 1 7 . 1 1 32 32 ASN N N 32 118.038 118.038 117.514 0.524 18210 5987 1 7 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.876 -0.178 18210 5988 1 7 . 1 1 32 32 ASN C C 32 174.979 174.979 174.826 0.153 18210 5989 1 7 . 1 1 32 32 ASN CA C 32 53.580 53.580 52.601 0.979 18210 5990 1 7 . 1 1 32 32 ASN CB C 32 38.810 38.810 39.682 -0.872 18210 5991 1 7 . 1 1 32 32 ASN H H 32 8.218 8.218 8.033 0.185 18210 5992 1 7 . 1 1 33 33 GLN N N 33 119.603 119.603 120.732 -1.129 18210 5993 1 7 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.128 0.225 18210 5994 1 7 . 1 1 33 33 GLN C C 33 175.735 175.735 176.433 -0.698 18210 5995 1 7 . 1 1 33 33 GLN CA C 33 55.883 55.883 57.387 -1.504 18210 5996 1 7 . 1 1 33 33 GLN CB C 33 29.131 29.131 28.395 0.737 18210 5997 1 7 . 1 1 33 33 GLN H H 33 8.337 8.337 8.478 -0.141 18210 5998 1 7 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.173 0.105 18210 5999 1 7 . 1 1 34 34 GLN C C 34 175.170 175.170 174.197 0.973 18210 6000 1 7 . 1 1 34 34 GLN CA C 34 56.102 56.102 55.957 0.145 18210 6001 1 7 . 1 1 34 34 GLN CB C 34 29.870 29.870 27.331 2.539 18210 6002 1 7 . 1 1 34 34 GLN H H 34 8.087 8.087 8.629 -0.542 18210 6003 1 7 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.264 -0.544 18210 6004 1 7 . 1 1 35 35 ASP C C 35 175.810 175.810 174.852 0.958 18210 6005 1 7 . 1 1 35 35 ASP CA C 35 54.292 54.292 52.927 1.365 18210 6006 1 7 . 1 1 35 35 ASP CB C 35 41.462 41.462 43.916 -2.454 18210 6007 1 7 . 1 1 35 35 ASP H H 35 8.033 8.033 8.245 -0.212 18210 6008 1 7 . 1 1 36 36 ILE N N 36 122.378 122.378 125.073 -2.695 18210 6009 1 7 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.269 -0.205 18210 6010 1 7 . 1 1 36 36 ILE C C 36 173.823 173.823 174.187 -0.364 18210 6011 1 7 . 1 1 36 36 ILE CA C 36 60.506 60.506 58.918 1.588 18210 6012 1 7 . 1 1 36 36 ILE CB C 36 37.712 37.712 38.275 -0.563 18210 6013 1 7 . 1 1 36 36 ILE H H 36 8.421 8.421 8.834 -0.413 18210 6014 1 7 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.775 -0.268 18210 6015 1 7 . 1 1 37 37 VAL C C 37 174.956 174.956 175.614 -0.658 18210 6016 1 7 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.630 0.905 18210 6017 1 7 . 1 1 37 37 VAL CB C 37 32.932 32.932 33.972 -1.040 18210 6018 1 7 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.715 0.066 18210 6019 1 7 . 1 1 38 38 CYS C C 38 172.106 172.106 174.635 -2.529 18210 6020 1 7 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.228 -3.010 18210 6021 1 7 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.656 23.301 18210 6022 1 7 . 1 1 39 39 THR N N 39 123.385 123.385 123.347 0.038 18210 6023 1 7 . 1 1 39 39 THR HA H 39 4.998 4.998 4.869 0.129 18210 6024 1 7 . 1 1 39 39 THR C C 39 174.687 174.687 173.597 1.090 18210 6025 1 7 . 1 1 39 39 THR CA C 39 61.514 61.514 62.468 -0.954 18210 6026 1 7 . 1 1 39 39 THR CB C 39 69.880 69.880 69.250 0.630 18210 6027 1 7 . 1 1 39 39 THR H H 39 8.229 8.229 8.569 -0.340 18210 6028 1 7 . 1 1 40 40 VAL N N 40 125.782 125.782 121.380 4.402 18210 6029 1 7 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.592 -0.312 18210 6030 1 7 . 1 1 40 40 VAL C C 40 173.622 173.622 174.035 -0.413 18210 6031 1 7 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.554 0.853 18210 6032 1 7 . 1 1 40 40 VAL CB C 40 34.800 34.800 34.949 -0.149 18210 6033 1 7 . 1 1 40 40 VAL H H 40 8.892 8.892 7.855 1.037 18210 6034 1 7 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.829 0.076 18210 6035 1 7 . 1 1 41 41 LYS C C 41 175.624 175.624 175.889 -0.265 18210 6036 1 7 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.330 -1.083 18210 6037 1 7 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.699 -1.797 18210 6038 1 7 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.633 -0.326 18210 6039 1 7 . 1 1 42 42 ALA C C 42 175.028 175.028 175.611 -0.583 18210 6040 1 7 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.250 0.294 18210 6041 1 7 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.381 0.852 18210 6042 1 7 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.765 0.014 18210 6043 1 7 . 1 1 43 43 HIS C C 43 172.767 172.767 175.454 -2.687 18210 6044 1 7 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.137 -1.536 18210 6045 1 7 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.745 -2.446 18210 6046 1 7 . 1 1 43 43 HIS H H 43 8.722 8.722 8.572 0.150 18210 6047 1 7 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.104 -0.064 18210 6048 1 7 . 1 1 44 44 ALA C C 44 178.087 178.087 177.805 0.282 18210 6049 1 7 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.262 -0.400 18210 6050 1 7 . 1 1 44 44 ALA CB C 44 19.024 19.024 18.901 0.123 18210 6051 1 7 . 1 1 44 44 ALA H H 44 8.468 8.468 8.037 0.431 18210 6052 1 7 . 1 1 45 45 ASN N N 45 113.483 113.483 112.873 0.610 18210 6053 1 7 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.782 -0.440 18210 6054 1 7 . 1 1 45 45 ASN C C 45 174.441 174.441 174.491 -0.050 18210 6055 1 7 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.054 2.274 18210 6056 1 7 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.334 -0.655 18210 6057 1 7 . 1 1 45 45 ASN H H 45 7.356 7.356 8.392 -1.036 18210 6058 1 7 . 1 1 46 46 ASP N N 46 120.941 120.941 120.128 0.813 18210 6059 1 7 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.777 -0.186 18210 6060 1 7 . 1 1 46 46 ASP C C 46 175.724 175.724 176.058 -0.334 18210 6061 1 7 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.585 1.584 18210 6062 1 7 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.485 0.034 18210 6063 1 7 . 1 1 46 46 ASP H H 46 7.959 7.959 8.185 -0.226 18210 6064 1 7 . 1 1 47 47 LEU N N 47 123.735 123.735 121.473 2.262 18210 6065 1 7 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.479 0.497 18210 6066 1 7 . 1 1 47 47 LEU C C 47 175.735 175.735 176.875 -1.140 18210 6067 1 7 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.825 -0.134 18210 6068 1 7 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.928 0.638 18210 6069 1 7 . 1 1 47 47 LEU H H 47 8.156 8.156 8.570 -0.414 18210 6070 1 7 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.624 0.647 18210 6071 1 7 . 1 1 48 48 ILE C C 48 175.979 175.979 175.331 0.648 18210 6072 1 7 . 1 1 48 48 ILE CA C 48 58.953 58.953 59.004 -0.051 18210 6073 1 7 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.181 2.957 18210 6074 1 7 . 1 1 49 49 GLY N N 49 102.726 102.726 111.146 -8.420 18210 6075 1 7 . 1 1 49 49 GLY C C 49 169.506 169.506 171.818 -2.312 18210 6076 1 7 . 1 1 49 49 GLY CA C 49 48.190 48.190 46.004 2.186 18210 6077 1 7 . 1 1 49 49 GLY H H 49 7.900 7.900 8.479 -0.579 18210 6078 1 7 . 1 1 50 50 PHE N N 50 111.884 111.884 113.597 -1.713 18210 6079 1 7 . 1 1 50 50 PHE HA H 50 3.913 3.913 4.039 -0.126 18210 6080 1 7 . 1 1 50 50 PHE C C 50 171.823 171.823 172.061 -0.238 18210 6081 1 7 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.310 -0.583 18210 6082 1 7 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.704 0.325 18210 6083 1 7 . 1 1 50 50 PHE H H 50 8.248 8.248 7.747 0.501 18210 6084 1 7 . 1 1 51 51 LYS N N 51 117.924 117.924 119.223 -1.299 18210 6085 1 7 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.229 0.155 18210 6086 1 7 . 1 1 51 51 LYS C C 51 176.140 176.140 174.593 1.547 18210 6087 1 7 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.942 -0.521 18210 6088 1 7 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.216 0.704 18210 6089 1 7 . 1 1 51 51 LYS H H 51 7.857 7.857 7.772 0.085 18210 6090 1 7 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.067 -0.046 18210 6091 1 7 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.728 -4.537 18210 6092 1 7 . 1 1 52 52 CYS CB C 52 41.187 41.187 29.977 11.210 18210 6093 1 7 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.390 -0.013 18210 6094 1 7 . 1 1 53 53 PRO C C 53 177.624 177.624 177.529 0.095 18210 6095 1 7 . 1 1 53 53 PRO CA C 53 62.570 62.570 62.947 -0.377 18210 6096 1 7 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.401 -1.145 18210 6097 1 7 . 1 1 54 54 SER HA H 54 4.106 4.106 4.226 -0.120 18210 6098 1 7 . 1 1 54 54 SER C C 54 174.271 174.271 174.758 -0.487 18210 6099 1 7 . 1 1 54 54 SER CA C 54 61.221 61.221 60.474 0.747 18210 6100 1 7 . 1 1 54 54 SER CB C 54 63.243 63.243 63.017 0.226 18210 6101 1 7 . 1 1 55 55 ASN N N 55 115.116 115.116 117.526 -2.410 18210 6102 1 7 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.793 -0.120 18210 6103 1 7 . 1 1 55 55 ASN C C 55 174.556 174.556 174.124 0.432 18210 6104 1 7 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.522 0.342 18210 6105 1 7 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.843 -1.919 18210 6106 1 7 . 1 1 55 55 ASN H H 55 8.712 8.712 8.293 0.419 18210 6107 1 7 . 1 1 56 56 TYR N N 56 120.489 120.489 118.427 2.062 18210 6108 1 7 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.543 0.149 18210 6109 1 7 . 1 1 56 56 TYR C C 56 176.019 176.019 175.207 0.812 18210 6110 1 7 . 1 1 56 56 TYR CA C 56 57.469 57.469 58.161 -0.692 18210 6111 1 7 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.052 -2.354 18210 6112 1 7 . 1 1 56 56 TYR H H 56 7.637 7.637 7.733 -0.096 18210 6113 1 7 . 1 1 57 57 SER N N 57 117.381 117.381 115.914 1.467 18210 6114 1 7 . 1 1 57 57 SER HA H 57 4.915 4.915 4.841 0.074 18210 6115 1 7 . 1 1 57 57 SER C C 57 173.649 173.649 173.392 0.257 18210 6116 1 7 . 1 1 57 57 SER CA C 57 57.586 57.586 57.669 -0.083 18210 6117 1 7 . 1 1 57 57 SER CB C 57 64.766 64.766 65.237 -0.471 18210 6118 1 7 . 1 1 57 57 SER H H 57 9.323 9.323 8.395 0.928 18210 6119 1 7 . 1 1 58 58 VAL N N 58 125.696 125.696 120.349 5.347 18210 6120 1 7 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.356 0.456 18210 6121 1 7 . 1 1 58 58 VAL C C 58 174.911 174.911 175.070 -0.159 18210 6122 1 7 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.084 0.805 18210 6123 1 7 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.554 0.631 18210 6124 1 7 . 1 1 58 58 VAL H H 58 8.474 8.474 8.704 -0.230 18210 6125 1 7 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.941 -0.281 18210 6126 1 7 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.862 -0.263 18210 6127 1 7 . 1 1 59 59 GLU CB C 59 32.910 32.910 32.374 0.536 18210 6128 1 7 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.679 0.021 18210 6129 1 7 . 1 1 60 60 PRO C C 60 176.708 176.708 176.540 0.168 18210 6130 1 7 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.138 -0.407 18210 6131 1 7 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.441 1.565 18210 6132 1 7 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.632 -0.269 18210 6133 1 7 . 1 1 61 61 HIS C C 61 174.320 174.320 174.787 -0.467 18210 6134 1 7 . 1 1 61 61 HIS CA C 61 58.473 58.473 57.991 0.482 18210 6135 1 7 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.073 -2.558 18210 6136 1 7 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.721 0.322 18210 6137 1 7 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.138 -1.800 18210 6138 1 7 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.546 -1.036 18210 6139 1 7 . 1 1 63 63 CYS N N 63 120.346 120.346 117.944 2.402 18210 6140 1 7 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.660 -0.437 18210 6141 1 7 . 1 1 63 63 CYS C C 63 171.976 171.976 175.522 -3.546 18210 6142 1 7 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.430 -0.926 18210 6143 1 7 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.843 13.238 18210 6144 1 7 . 1 1 63 63 CYS H H 63 6.446 6.446 8.220 -1.774 18210 6145 1 7 . 1 1 64 64 PHE N N 64 116.155 116.155 117.681 -1.526 18210 6146 1 7 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.483 -0.263 18210 6147 1 7 . 1 1 64 64 PHE C C 64 177.110 177.110 176.769 0.341 18210 6148 1 7 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.393 0.198 18210 6149 1 7 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.897 3.252 18210 6150 1 7 . 1 1 64 64 PHE H H 64 7.697 7.697 7.594 0.103 18210 6151 1 7 . 1 1 65 65 VAL N N 65 119.794 119.794 119.262 0.532 18210 6152 1 7 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.735 0.230 18210 6153 1 7 . 1 1 65 65 VAL C C 65 176.948 176.948 175.802 1.146 18210 6154 1 7 . 1 1 65 65 VAL CA C 65 66.963 66.963 66.320 0.643 18210 6155 1 7 . 1 1 65 65 VAL CB C 65 31.084 31.084 32.339 -1.255 18210 6156 1 7 . 1 1 65 65 VAL H H 65 8.449 8.449 7.159 1.290 18210 6157 1 7 . 1 1 66 66 SER N N 66 113.648 113.648 111.432 2.216 18210 6158 1 7 . 1 1 66 66 SER HA H 66 5.041 5.041 4.540 0.501 18210 6159 1 7 . 1 1 66 66 SER C C 66 173.905 173.905 172.552 1.353 18210 6160 1 7 . 1 1 66 66 SER CA C 66 56.701 56.701 56.708 -0.007 18210 6161 1 7 . 1 1 66 66 SER CB C 66 65.738 65.738 63.818 1.920 18210 6162 1 7 . 1 1 66 66 SER H H 66 7.706 7.706 7.678 0.028 18210 6163 1 7 . 1 1 67 67 ALA N N 67 115.370 115.370 126.695 -11.325 18210 6164 1 7 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.227 -0.183 18210 6165 1 7 . 1 1 67 67 ALA C C 67 175.316 175.316 174.489 0.827 18210 6166 1 7 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.618 0.504 18210 6167 1 7 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.473 3.354 18210 6168 1 7 . 1 1 67 67 ALA H H 67 9.280 9.280 7.562 1.718 18210 6169 1 7 . 1 1 68 68 PHE N N 68 116.820 116.820 117.533 -0.713 18210 6170 1 7 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.127 -0.128 18210 6171 1 7 . 1 1 68 68 PHE C C 68 176.533 176.533 176.491 0.042 18210 6172 1 7 . 1 1 68 68 PHE CA C 68 57.538 57.538 57.041 0.497 18210 6173 1 7 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.395 -0.431 18210 6174 1 7 . 1 1 68 68 PHE H H 68 8.520 8.520 8.652 -0.132 18210 6175 1 7 . 1 1 69 69 ASN N N 69 118.203 118.203 121.374 -3.171 18210 6176 1 7 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.761 0.281 18210 6177 1 7 . 1 1 69 69 ASN C C 69 176.820 176.820 177.320 -0.500 18210 6178 1 7 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.528 -1.492 18210 6179 1 7 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.301 0.193 18210 6180 1 7 . 1 1 69 69 ASN H H 69 8.498 8.498 8.692 -0.194 18210 6181 1 7 . 1 1 70 70 LEU N N 70 118.189 118.189 119.963 -1.774 18210 6182 1 7 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.416 -0.137 18210 6183 1 7 . 1 1 70 70 LEU C C 70 178.484 178.484 178.073 0.411 18210 6184 1 7 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.723 0.041 18210 6185 1 7 . 1 1 70 70 LEU CB C 70 41.638 41.638 40.782 0.856 18210 6186 1 7 . 1 1 70 70 LEU H H 70 8.514 8.514 8.934 -0.420 18210 6187 1 7 . 1 1 71 71 SER N N 71 113.939 113.939 111.411 2.528 18210 6188 1 7 . 1 1 71 71 SER HA H 71 4.572 4.572 4.474 0.098 18210 6189 1 7 . 1 1 71 71 SER C C 71 174.682 174.682 175.526 -0.844 18210 6190 1 7 . 1 1 71 71 SER CA C 71 58.758 58.758 58.361 0.397 18210 6191 1 7 . 1 1 71 71 SER CB C 71 63.762 63.762 63.642 0.120 18210 6192 1 7 . 1 1 71 71 SER H H 71 8.049 8.049 7.869 0.180 18210 6193 1 7 . 1 1 72 72 GLY N N 72 109.936 109.936 110.474 -0.538 18210 6194 1 7 . 1 1 72 72 GLY C C 72 173.549 173.549 173.901 -0.352 18210 6195 1 7 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.301 0.337 18210 6196 1 7 . 1 1 72 72 GLY H H 72 8.641 8.641 8.148 0.493 18210 6197 1 7 . 1 1 73 73 LYS N N 73 119.884 119.884 120.634 -0.750 18210 6198 1 7 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.482 0.071 18210 6199 1 7 . 1 1 73 73 LYS C C 73 175.750 175.750 175.343 0.407 18210 6200 1 7 . 1 1 73 73 LYS CA C 73 54.658 54.658 55.077 -0.418 18210 6201 1 7 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.927 -0.186 18210 6202 1 7 . 1 1 73 73 LYS H H 73 7.738 7.738 7.519 0.219 18210 6203 1 7 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.906 -0.386 18210 6204 1 7 . 1 1 74 74 ASN C C 74 174.680 174.680 174.930 -0.250 18210 6205 1 7 . 1 1 74 74 ASN CA C 74 54.232 54.232 52.983 1.249 18210 6206 1 7 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.378 0.949 18210 6207 1 7 . 1 1 75 75 GLU N N 75 124.834 124.834 125.847 -1.013 18210 6208 1 7 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.404 0.194 18210 6209 1 7 . 1 1 75 75 GLU C C 75 174.547 174.547 175.430 -0.883 18210 6210 1 7 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.160 -0.273 18210 6211 1 7 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.882 -0.974 18210 6212 1 7 . 1 1 75 75 GLU H H 75 8.835 8.835 8.208 0.627 18210 6213 1 7 . 1 1 76 76 ASN N N 76 121.549 121.549 121.712 -0.163 18210 6214 1 7 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.733 -0.058 18210 6215 1 7 . 1 1 76 76 ASN C C 76 175.670 175.670 175.926 -0.256 18210 6216 1 7 . 1 1 76 76 ASN CA C 76 54.120 54.120 53.965 0.155 18210 6217 1 7 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.784 0.258 18210 6218 1 7 . 1 1 76 76 ASN H H 76 8.580 8.580 8.711 -0.131 18210 6219 1 7 . 1 1 77 77 LEU N N 77 125.808 125.808 124.052 1.756 18210 6220 1 7 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.603 -0.496 18210 6221 1 7 . 1 1 77 77 LEU C C 77 178.104 178.104 177.026 1.078 18210 6222 1 7 . 1 1 77 77 LEU CA C 77 55.991 55.991 53.751 2.240 18210 6223 1 7 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.347 0.036 18210 6224 1 7 . 1 1 77 77 LEU H H 77 8.610 8.610 8.506 0.104 18210 6225 1 7 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.246 -0.230 18210 6226 1 7 . 1 1 78 78 GLU C C 78 176.833 176.833 177.634 -0.801 18210 6227 1 7 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.979 0.671 18210 6228 1 7 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.850 0.834 18210 6229 1 7 . 1 1 79 79 ASN N N 79 114.719 114.719 116.378 -1.659 18210 6230 1 7 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.422 0.142 18210 6231 1 7 . 1 1 79 79 ASN C C 79 175.510 175.510 176.526 -1.016 18210 6232 1 7 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.423 -1.031 18210 6233 1 7 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.573 1.145 18210 6234 1 7 . 1 1 79 79 ASN H H 79 8.257 8.257 8.498 -0.241 18210 6235 1 7 . 1 1 80 80 LYS N N 80 118.906 118.906 119.904 -0.998 18210 6236 1 7 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.188 0.105 18210 6237 1 7 . 1 1 80 80 LYS C C 80 175.748 175.748 176.513 -0.765 18210 6238 1 7 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.009 0.756 18210 6239 1 7 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.127 1.218 18210 6240 1 7 . 1 1 80 80 LYS H H 80 7.818 7.818 7.780 0.038 18210 6241 1 7 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.344 -0.194 18210 6242 1 7 . 1 1 81 81 LEU C C 81 174.688 174.688 175.124 -0.436 18210 6243 1 7 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.647 0.875 18210 6244 1 7 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.039 -0.976 18210 6245 1 7 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.215 -0.046 18210 6246 1 7 . 1 1 82 82 LYS C C 82 175.701 175.701 175.595 0.106 18210 6247 1 7 . 1 1 82 82 LYS CA C 82 56.168 56.168 56.049 0.119 18210 6248 1 7 . 1 1 82 82 LYS CB C 82 30.017 30.017 30.838 -0.821 18210 6249 1 7 . 1 1 83 83 LEU N N 83 120.762 120.762 124.400 -3.638 18210 6250 1 7 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.234 0.186 18210 6251 1 7 . 1 1 83 83 LEU C C 83 177.184 177.184 177.581 -0.397 18210 6252 1 7 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.861 0.358 18210 6253 1 7 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.727 -0.416 18210 6254 1 7 . 1 1 83 83 LEU H H 83 7.485 7.485 7.711 -0.226 18210 6255 1 7 . 1 1 84 84 THR N N 84 110.955 110.955 114.686 -3.731 18210 6256 1 7 . 1 1 84 84 THR HA H 84 4.712 4.712 4.533 0.179 18210 6257 1 7 . 1 1 84 84 THR C C 84 173.001 173.001 173.664 -0.663 18210 6258 1 7 . 1 1 84 84 THR CA C 84 59.883 59.883 60.686 -0.803 18210 6259 1 7 . 1 1 84 84 THR CB C 84 71.825 71.825 72.241 -0.416 18210 6260 1 7 . 1 1 84 84 THR H H 84 8.519 8.519 8.171 0.348 18210 6261 1 7 . 1 1 85 85 ASN N N 85 117.589 117.589 117.167 0.422 18210 6262 1 7 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.407 -0.261 18210 6263 1 7 . 1 1 85 85 ASN C C 85 173.572 173.572 174.362 -0.790 18210 6264 1 7 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.888 0.431 18210 6265 1 7 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.162 1.746 18210 6266 1 7 . 1 1 85 85 ASN H H 85 8.850 8.850 8.810 0.040 18210 6267 1 7 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.449 -0.157 18210 6268 1 7 . 1 1 86 86 ILE C C 86 177.346 177.346 176.024 1.322 18210 6269 1 7 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.540 1.267 18210 6270 1 7 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.910 -0.211 18210 6271 1 7 . 1 1 87 87 ILE N N 87 131.807 131.807 129.073 2.734 18210 6272 1 7 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.515 -0.260 18210 6273 1 7 . 1 1 87 87 ILE C C 87 174.493 174.493 174.551 -0.058 18210 6274 1 7 . 1 1 87 87 ILE CA C 87 60.152 60.152 59.900 0.252 18210 6275 1 7 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.092 2.018 18210 6276 1 7 . 1 1 87 87 ILE H H 87 9.166 9.166 8.913 0.253 18210 6277 1 7 . 1 1 88 88 MET HA H 88 4.017 4.017 4.648 -0.631 18210 6278 1 7 . 1 1 88 88 MET C C 88 173.613 173.613 174.381 -0.768 18210 6279 1 7 . 1 1 88 88 MET CA C 88 53.287 53.287 54.818 -1.531 18210 6280 1 7 . 1 1 88 88 MET CB C 88 33.478 33.478 34.254 -0.776 18210 6281 1 7 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.825 -0.128 18210 6282 1 7 . 1 1 89 89 ASP C C 89 176.750 176.750 175.891 0.859 18210 6283 1 7 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.155 -0.054 18210 6284 1 7 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.829 -1.638 18210 6285 1 7 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.331 0.110 18210 6286 1 7 . 1 1 90 90 HIS C C 90 175.625 175.625 176.185 -0.560 18210 6287 1 7 . 1 1 90 90 HIS CA C 90 58.254 58.254 59.053 -0.799 18210 6288 1 7 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.196 -1.617 18210 6289 1 7 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.256 0.184 18210 6290 1 7 . 1 1 91 91 TYR C C 91 177.915 177.915 175.842 2.073 18210 6291 1 7 . 1 1 91 91 TYR CA C 91 60.760 60.760 60.879 -0.119 18210 6292 1 7 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.855 -0.788 18210 6293 1 7 . 1 1 92 92 ASN N N 92 113.661 113.661 114.552 -0.891 18210 6294 1 7 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.517 0.256 18210 6295 1 7 . 1 1 92 92 ASN C C 92 174.762 174.762 174.734 0.028 18210 6296 1 7 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.923 -0.308 18210 6297 1 7 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.935 0.347 18210 6298 1 7 . 1 1 92 92 ASN H H 92 7.713 7.713 7.925 -0.212 18210 6299 1 7 . 1 1 93 93 ASN N N 93 125.176 125.176 114.844 10.332 18210 6300 1 7 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.278 0.431 18210 6301 1 7 . 1 1 93 93 ASN C C 93 172.729 172.729 172.967 -0.238 18210 6302 1 7 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.494 -1.759 18210 6303 1 7 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.376 1.585 18210 6304 1 7 . 1 1 93 93 ASN H H 93 7.804 7.804 7.829 -0.025 18210 6305 1 7 . 1 1 94 94 THR N N 94 109.900 109.900 111.258 -1.358 18210 6306 1 7 . 1 1 94 94 THR HA H 94 4.852 4.852 4.917 -0.065 18210 6307 1 7 . 1 1 94 94 THR C C 94 170.824 170.824 171.543 -0.719 18210 6308 1 7 . 1 1 94 94 THR CA C 94 61.817 61.817 59.964 1.853 18210 6309 1 7 . 1 1 94 94 THR CB C 94 71.074 71.074 70.973 0.101 18210 6310 1 7 . 1 1 94 94 THR H H 94 7.654 7.654 7.273 0.381 18210 6311 1 7 . 1 1 95 95 PHE N N 95 126.721 126.721 124.087 2.634 18210 6312 1 7 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.391 -0.283 18210 6313 1 7 . 1 1 95 95 PHE C C 95 174.143 174.143 174.216 -0.073 18210 6314 1 7 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.300 0.269 18210 6315 1 7 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.568 0.225 18210 6316 1 7 . 1 1 95 95 PHE H H 95 8.166 8.166 7.726 0.440 18210 6317 1 7 . 1 1 96 96 TYR N N 96 115.709 115.709 119.985 -4.276 18210 6318 1 7 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.513 0.554 18210 6319 1 7 . 1 1 96 96 TYR C C 96 175.734 175.734 174.782 0.952 18210 6320 1 7 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.651 -0.219 18210 6321 1 7 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.929 1.238 18210 6322 1 7 . 1 1 96 96 TYR H H 96 9.149 9.149 8.547 0.602 18210 6323 1 7 . 1 1 97 97 SER N N 97 109.503 109.503 114.393 -4.890 18210 6324 1 7 . 1 1 97 97 SER HA H 97 4.430 4.430 5.320 -0.890 18210 6325 1 7 . 1 1 97 97 SER C C 97 170.684 170.684 173.497 -2.813 18210 6326 1 7 . 1 1 97 97 SER CA C 97 59.324 59.324 57.041 2.283 18210 6327 1 7 . 1 1 97 97 SER CB C 97 66.341 66.341 66.249 0.092 18210 6328 1 7 . 1 1 97 97 SER H H 97 8.921 8.921 9.160 -0.239 18210 6329 1 7 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.792 0.602 18210 6330 1 7 . 1 1 98 98 ARG C C 98 175.850 175.850 175.361 0.489 18210 6331 1 7 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.773 -0.597 18210 6332 1 7 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.579 0.548 18210 6333 1 7 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.621 -0.291 18210 6334 1 7 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.698 1.108 18210 6335 1 7 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.327 -1.424 18210 6336 1 7 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.358 0.318 18210 6337 1 7 . 1 1 100 100 PRO C C 100 175.744 175.744 176.543 -0.799 18210 6338 1 7 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.036 -0.747 18210 6339 1 7 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.573 0.213 18210 6340 1 7 . 1 1 101 101 SER HA H 101 4.126 4.126 4.302 -0.176 18210 6341 1 7 . 1 1 101 101 SER C C 101 173.214 173.214 174.421 -1.207 18210 6342 1 7 . 1 1 101 101 SER CA C 101 60.265 60.265 59.618 0.647 18210 6343 1 7 . 1 1 101 101 SER CB C 101 63.660 63.660 63.696 -0.036 18210 6344 1 7 . 1 1 102 102 LEU N N 102 121.389 121.389 122.152 -0.763 18210 6345 1 7 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.581 -0.049 18210 6346 1 7 . 1 1 102 102 LEU C C 102 175.187 175.187 175.242 -0.055 18210 6347 1 7 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.746 -0.060 18210 6348 1 7 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.193 0.187 18210 6349 1 7 . 1 1 102 102 LEU H H 102 7.179 7.179 7.417 -0.238 18210 6350 1 7 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.459 -0.016 18210 6351 1 7 . 1 1 103 103 ILE C C 103 175.490 175.490 175.614 -0.124 18210 6352 1 7 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.687 -1.778 18210 6353 1 7 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.381 0.297 18210 6354 1 7 . 1 1 104 104 SER N N 104 120.807 120.807 120.732 0.075 18210 6355 1 7 . 1 1 104 104 SER HA H 104 4.581 4.581 4.640 -0.059 18210 6356 1 7 . 1 1 104 104 SER C C 104 173.234 173.234 174.176 -0.942 18210 6357 1 7 . 1 1 104 104 SER CA C 104 58.166 58.166 57.573 0.593 18210 6358 1 7 . 1 1 104 104 SER CB C 104 64.341 64.341 64.303 0.038 18210 6359 1 7 . 1 1 104 104 SER H H 104 8.471 8.471 8.407 0.064 18210 6360 1 7 . 1 1 105 105 ASP N N 105 119.103 119.103 121.860 -2.757 18210 6361 1 7 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.743 -0.094 18210 6362 1 7 . 1 1 105 105 ASP C C 105 174.991 174.991 175.626 -0.635 18210 6363 1 7 . 1 1 105 105 ASP CA C 105 53.734 53.734 53.804 -0.070 18210 6364 1 7 . 1 1 105 105 ASP CB C 105 42.477 42.477 41.475 1.002 18210 6365 1 7 . 1 1 105 105 ASP H H 105 8.060 8.060 8.041 0.019 18210 6366 1 7 . 1 1 106 106 ASN N N 106 116.036 116.036 117.440 -1.404 18210 6367 1 7 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.858 -0.123 18210 6368 1 7 . 1 1 106 106 ASN C C 106 174.308 174.308 175.476 -1.168 18210 6369 1 7 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.594 1.186 18210 6370 1 7 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.516 0.506 18210 6371 1 7 . 1 1 106 106 ASN H H 106 8.389 8.389 8.472 -0.083 18210 6372 1 7 . 1 1 107 107 TRP N N 107 119.645 119.645 120.900 -1.255 18210 6373 1 7 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.794 0.035 18210 6374 1 7 . 1 1 107 107 TRP C C 107 174.949 174.949 175.301 -0.352 18210 6375 1 7 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.523 -0.331 18210 6376 1 7 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.623 2.590 18210 6377 1 7 . 1 1 107 107 TRP H H 107 7.846 7.846 8.236 -0.390 18210 6378 1 7 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.614 0.848 18210 6379 1 7 . 1 1 108 108 LYS C C 108 174.986 174.986 174.597 0.389 18210 6380 1 7 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.438 0.758 18210 6381 1 7 . 1 1 108 108 LYS CB C 108 36.215 36.215 35.895 0.320 18210 6382 1 7 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.266 0.279 18210 6383 1 7 . 1 1 109 109 PHE C C 109 172.950 172.950 172.483 0.467 18210 6384 1 7 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.214 0.206 18210 6385 1 7 . 1 1 109 109 PHE CB C 109 41.891 41.891 41.707 0.184 18210 6386 1 7 . 1 1 110 110 PHE N N 110 115.390 115.390 114.350 1.040 18210 6387 1 7 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.140 0.892 18210 6388 1 7 . 1 1 110 110 PHE C C 110 173.892 173.892 173.619 0.273 18210 6389 1 7 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.582 0.650 18210 6390 1 7 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.851 2.515 18210 6391 1 7 . 1 1 110 110 PHE H H 110 9.267 9.267 7.572 1.695 18210 6392 1 7 . 1 1 111 111 CYS N N 111 116.463 116.463 117.781 -1.318 18210 6393 1 7 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.923 0.138 18210 6394 1 7 . 1 1 111 111 CYS C C 111 171.900 171.900 173.060 -1.160 18210 6395 1 7 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.798 -3.946 18210 6396 1 7 . 1 1 111 111 CYS CB C 111 47.830 47.830 30.954 16.876 18210 6397 1 7 . 1 1 111 111 CYS H H 111 9.274 9.274 8.894 0.380 18210 6398 1 7 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.112 0.090 18210 6399 1 7 . 1 1 112 112 VAL C C 112 175.041 175.041 174.356 0.685 18210 6400 1 7 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.600 -0.157 18210 6401 1 7 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.055 0.522 18210 6402 1 7 . 1 1 112 112 VAL H H 112 9.605 9.605 8.271 1.334 18210 6403 1 7 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.564 0.196 18210 6404 1 7 . 1 1 113 113 CYS C C 113 173.601 173.601 173.590 0.011 18210 6405 1 7 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.333 -4.512 18210 6406 1 7 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.880 14.066 18210 6407 1 7 . 1 1 114 114 SER N N 114 117.968 117.968 118.111 -0.143 18210 6408 1 7 . 1 1 114 114 SER HA H 114 5.093 5.093 5.031 0.062 18210 6409 1 7 . 1 1 114 114 SER C C 114 172.267 172.267 172.540 -0.273 18210 6410 1 7 . 1 1 114 114 SER CA C 114 56.677 56.677 58.095 -1.418 18210 6411 1 7 . 1 1 114 114 SER CB C 114 66.795 66.795 65.470 1.325 18210 6412 1 7 . 1 1 114 114 SER H H 114 9.250 9.250 9.291 -0.041 18210 6413 1 7 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.494 -0.388 18210 6414 1 7 . 1 1 115 115 LYS C C 115 174.527 174.527 174.596 -0.069 18210 6415 1 7 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.617 0.305 18210 6416 1 7 . 1 1 115 115 LYS CB C 115 34.009 34.009 35.619 -1.610 18210 6417 1 7 . 1 1 115 115 LYS H H 115 8.705 8.705 8.410 0.295 18210 6418 1 7 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.484 -0.293 18210 6419 1 7 . 1 1 116 116 ASP C C 116 176.002 176.002 176.833 -0.831 18210 6420 1 7 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.442 0.872 18210 6421 1 7 . 1 1 116 116 ASP CB C 116 40.447 40.447 41.037 -0.590 18210 6422 1 7 . 1 1 117 117 ASN N N 117 116.913 116.913 118.577 -1.664 18210 6423 1 7 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.303 0.136 18210 6424 1 7 . 1 1 117 117 ASN C C 117 174.246 174.246 173.630 0.616 18210 6425 1 7 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.284 0.149 18210 6426 1 7 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.064 0.118 18210 6427 1 7 . 1 1 117 117 ASN H H 117 8.752 8.752 8.657 0.095 18210 6428 1 7 . 1 1 118 118 GLU N N 118 116.615 116.615 118.395 -1.780 18210 6429 1 7 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.432 0.328 18210 6430 1 7 . 1 1 118 118 GLU C C 118 177.397 177.397 175.457 1.940 18210 6431 1 7 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.440 -1.131 18210 6432 1 7 . 1 1 118 118 GLU CB C 118 31.091 31.091 32.927 -1.836 18210 6433 1 7 . 1 1 118 118 GLU H H 118 7.819 7.819 8.200 -0.381 18210 6434 1 7 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.128 0.037 18210 6435 1 7 . 1 1 119 119 LYS C C 119 177.626 177.626 176.693 0.933 18210 6436 1 7 . 1 1 119 119 LYS CA C 119 57.540 57.540 57.054 0.486 18210 6437 1 7 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.861 -0.015 18210 6438 1 7 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.353 -0.048 18210 6439 1 7 . 1 1 120 120 LYS C C 120 174.312 174.312 175.534 -1.222 18210 6440 1 7 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.884 1.222 18210 6441 1 7 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.981 -0.793 18210 6442 1 7 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.352 0.207 18210 6443 1 7 . 1 1 121 121 LEU C C 121 174.893 174.893 175.096 -0.203 18210 6444 1 7 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.580 -0.975 18210 6445 1 7 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.897 -3.291 18210 6446 1 7 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.622 -0.261 18210 6447 1 7 . 1 1 122 122 VAL C C 122 173.909 173.909 174.278 -0.369 18210 6448 1 7 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.121 0.907 18210 6449 1 7 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.968 -0.374 18210 6450 1 7 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.839 0.336 18210 6451 1 7 . 1 1 123 123 PHE C C 123 173.230 173.230 173.003 0.227 18210 6452 1 7 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.187 0.127 18210 6453 1 7 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.222 -0.390 18210 6454 1 7 . 1 1 124 124 THR N N 124 121.688 121.688 123.715 -2.027 18210 6455 1 7 . 1 1 124 124 THR HA H 124 4.885 4.885 4.685 0.200 18210 6456 1 7 . 1 1 124 124 THR C C 124 170.874 170.874 172.033 -1.159 18210 6457 1 7 . 1 1 124 124 THR CA C 124 60.087 60.087 59.585 0.502 18210 6458 1 7 . 1 1 124 124 THR CB C 124 70.942 70.942 71.021 -0.079 18210 6459 1 7 . 1 1 124 124 THR H H 124 8.493 8.493 8.083 0.410 18210 6460 1 7 . 1 1 125 125 VAL N N 125 125.781 125.781 121.112 4.669 18210 6461 1 7 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.052 -0.536 18210 6462 1 7 . 1 1 125 125 VAL C C 125 173.796 173.796 172.680 1.116 18210 6463 1 7 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.326 1.466 18210 6464 1 7 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.316 -2.082 18210 6465 1 7 . 1 1 125 125 VAL H H 125 8.275 8.275 7.775 0.500 18210 6466 1 7 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.824 0.065 18210 6467 1 7 . 1 1 126 126 GLU C C 126 173.519 173.519 174.312 -0.793 18210 6468 1 7 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.050 -0.084 18210 6469 1 7 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.688 -0.726 18210 6470 1 7 . 1 1 126 126 GLU H H 126 8.262 8.262 7.889 0.373 18210 6471 1 8 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.289 -0.120 18210 6472 1 8 . 1 1 2 2 LYS C C 2 176.160 176.160 175.998 0.162 18210 6473 1 8 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.969 -0.004 18210 6474 1 8 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.464 -0.199 18210 6475 1 8 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.078 -0.165 18210 6476 1 8 . 1 1 3 3 VAL C C 3 175.820 175.820 175.928 -0.108 18210 6477 1 8 . 1 1 3 3 VAL CA C 3 62.488 62.488 62.895 -0.407 18210 6478 1 8 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.680 0.100 18210 6479 1 8 . 1 1 4 4 LYS N N 4 129.029 129.029 127.720 1.309 18210 6480 1 8 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.506 0.001 18210 6481 1 8 . 1 1 4 4 LYS C C 4 174.923 174.923 176.139 -1.216 18210 6482 1 8 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.505 0.798 18210 6483 1 8 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.320 -0.069 18210 6484 1 8 . 1 1 4 4 LYS H H 4 8.507 8.507 8.422 0.085 18210 6485 1 8 . 1 1 5 5 GLY N N 5 110.242 110.242 110.538 -0.296 18210 6486 1 8 . 1 1 5 5 GLY C C 5 173.333 173.333 172.231 1.102 18210 6487 1 8 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.587 0.677 18210 6488 1 8 . 1 1 5 5 GLY H H 5 8.138 8.138 8.381 -0.243 18210 6489 1 8 . 1 1 6 6 CYS N N 6 114.306 114.306 121.805 -7.499 18210 6490 1 8 . 1 1 6 6 CYS HA H 6 5.251 5.251 4.909 0.342 18210 6491 1 8 . 1 1 6 6 CYS C C 6 170.891 170.891 172.902 -2.011 18210 6492 1 8 . 1 1 6 6 CYS CA C 6 54.850 54.850 58.021 -3.171 18210 6493 1 8 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.903 21.247 18210 6494 1 8 . 1 1 6 6 CYS H H 6 6.750 6.750 8.449 -1.699 18210 6495 1 8 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.008 -0.260 18210 6496 1 8 . 1 1 7 7 ASP C C 7 175.607 175.607 175.496 0.111 18210 6497 1 8 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.350 -0.112 18210 6498 1 8 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.092 -0.475 18210 6499 1 8 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.564 0.313 18210 6500 1 8 . 1 1 8 8 PHE C C 8 173.972 173.972 175.795 -1.823 18210 6501 1 8 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.532 0.923 18210 6502 1 8 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.903 0.316 18210 6503 1 8 . 1 1 9 9 THR N N 9 105.421 105.421 113.214 -7.793 18210 6504 1 8 . 1 1 9 9 THR HA H 9 4.611 4.611 4.452 0.159 18210 6505 1 8 . 1 1 9 9 THR C C 9 174.505 174.505 174.860 -0.355 18210 6506 1 8 . 1 1 9 9 THR CA C 9 61.988 61.988 64.132 -2.144 18210 6507 1 8 . 1 1 9 9 THR CB C 9 70.385 70.385 70.482 -0.097 18210 6508 1 8 . 1 1 9 9 THR H H 9 8.996 8.996 8.526 0.470 18210 6509 1 8 . 1 1 10 10 THR N N 10 118.757 118.757 115.848 2.909 18210 6510 1 8 . 1 1 10 10 THR HA H 10 4.526 4.526 4.642 -0.116 18210 6511 1 8 . 1 1 10 10 THR C C 10 171.202 171.202 173.709 -2.507 18210 6512 1 8 . 1 1 10 10 THR CA C 10 60.774 60.774 61.066 -0.292 18210 6513 1 8 . 1 1 10 10 THR CB C 10 68.040 68.040 72.112 -4.072 18210 6514 1 8 . 1 1 10 10 THR H H 10 7.199 7.199 7.390 -0.191 18210 6515 1 8 . 1 1 11 11 SER N N 11 117.117 117.117 118.438 -1.321 18210 6516 1 8 . 1 1 11 11 SER HA H 11 3.907 3.907 4.256 -0.349 18210 6517 1 8 . 1 1 11 11 SER C C 11 174.988 174.988 174.910 0.078 18210 6518 1 8 . 1 1 11 11 SER CA C 11 59.563 59.563 60.144 -0.581 18210 6519 1 8 . 1 1 11 11 SER CB C 11 63.599 63.599 63.411 0.188 18210 6520 1 8 . 1 1 11 11 SER H H 11 7.997 7.997 8.775 -0.778 18210 6521 1 8 . 1 1 12 12 GLU N N 12 125.013 125.013 120.591 4.422 18210 6522 1 8 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.480 0.085 18210 6523 1 8 . 1 1 12 12 GLU C C 12 175.108 175.108 175.143 -0.035 18210 6524 1 8 . 1 1 12 12 GLU CA C 12 54.259 54.259 54.940 -0.681 18210 6525 1 8 . 1 1 12 12 GLU CB C 12 28.928 28.928 29.262 -0.334 18210 6526 1 8 . 1 1 12 12 GLU H H 12 8.375 8.375 8.354 0.021 18210 6527 1 8 . 1 1 13 13 SER N N 13 114.959 114.959 117.190 -2.231 18210 6528 1 8 . 1 1 13 13 SER HA H 13 4.130 4.130 4.462 -0.332 18210 6529 1 8 . 1 1 13 13 SER C C 13 176.833 176.833 174.707 2.126 18210 6530 1 8 . 1 1 13 13 SER CA C 13 58.707 58.707 59.471 -0.764 18210 6531 1 8 . 1 1 13 13 SER CB C 13 63.598 63.598 64.056 -0.458 18210 6532 1 8 . 1 1 13 13 SER H H 13 7.879 7.879 8.171 -0.292 18210 6533 1 8 . 1 1 14 14 THR N N 14 117.688 117.688 114.808 2.880 18210 6534 1 8 . 1 1 14 14 THR HA H 14 4.348 4.348 4.455 -0.107 18210 6535 1 8 . 1 1 14 14 THR C C 14 174.550 174.550 175.186 -0.636 18210 6536 1 8 . 1 1 14 14 THR CA C 14 62.435 62.435 62.585 -0.150 18210 6537 1 8 . 1 1 14 14 THR CB C 14 69.114 69.114 68.986 0.128 18210 6538 1 8 . 1 1 14 14 THR H H 14 8.978 8.978 8.707 0.271 18210 6539 1 8 . 1 1 15 15 ILE N N 15 118.851 118.851 113.014 5.837 18210 6540 1 8 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.275 -0.237 18210 6541 1 8 . 1 1 15 15 ILE C C 15 175.389 175.389 173.512 1.877 18210 6542 1 8 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.759 1.941 18210 6543 1 8 . 1 1 15 15 ILE CB C 15 41.447 41.447 38.871 2.576 18210 6544 1 8 . 1 1 15 15 ILE H H 15 7.947 7.947 7.810 0.137 18210 6545 1 8 . 1 1 16 16 PHE N N 16 116.409 116.409 118.507 -2.098 18210 6546 1 8 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.470 0.048 18210 6547 1 8 . 1 1 16 16 PHE C C 16 176.700 176.700 175.581 1.119 18210 6548 1 8 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.114 1.349 18210 6549 1 8 . 1 1 16 16 PHE CB C 16 42.712 42.712 42.313 0.399 18210 6550 1 8 . 1 1 16 16 PHE H H 16 7.792 7.792 7.444 0.348 18210 6551 1 8 . 1 1 17 17 SER N N 17 114.126 114.126 116.618 -2.492 18210 6552 1 8 . 1 1 17 17 SER HA H 17 3.984 3.984 4.309 -0.325 18210 6553 1 8 . 1 1 17 17 SER C C 17 174.203 174.203 174.551 -0.348 18210 6554 1 8 . 1 1 17 17 SER CA C 17 61.176 61.176 60.710 0.466 18210 6555 1 8 . 1 1 17 17 SER CB C 17 63.438 63.438 63.791 -0.353 18210 6556 1 8 . 1 1 17 17 SER H H 17 8.666 8.666 8.477 0.189 18210 6557 1 8 . 1 1 18 18 LYS N N 18 122.828 122.828 120.246 2.582 18210 6558 1 8 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.446 0.312 18210 6559 1 8 . 1 1 18 18 LYS C C 18 174.029 174.029 174.598 -0.569 18210 6560 1 8 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.558 0.103 18210 6561 1 8 . 1 1 18 18 LYS CB C 18 35.049 35.049 34.864 0.185 18210 6562 1 8 . 1 1 18 18 LYS H H 18 8.031 8.031 7.636 0.395 18210 6563 1 8 . 1 1 19 19 GLY N N 19 112.051 112.051 111.030 1.021 18210 6564 1 8 . 1 1 19 19 GLY C C 19 172.307 172.307 172.514 -0.207 18210 6565 1 8 . 1 1 19 19 GLY CA C 19 44.946 44.946 45.424 -0.478 18210 6566 1 8 . 1 1 19 19 GLY H H 19 8.092 8.092 7.994 0.098 18210 6567 1 8 . 1 1 20 20 TYR N N 20 120.060 120.060 118.980 1.080 18210 6568 1 8 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.646 -0.076 18210 6569 1 8 . 1 1 20 20 TYR C C 20 173.557 173.557 174.315 -0.758 18210 6570 1 8 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.097 0.415 18210 6571 1 8 . 1 1 20 20 TYR CB C 20 43.091 43.091 43.338 -0.247 18210 6572 1 8 . 1 1 20 20 TYR H H 20 7.968 7.968 8.933 -0.965 18210 6573 1 8 . 1 1 21 21 SER N N 21 115.201 115.201 115.600 -0.399 18210 6574 1 8 . 1 1 21 21 SER HA H 21 4.562 4.562 4.821 -0.259 18210 6575 1 8 . 1 1 21 21 SER C C 21 176.172 176.172 176.148 0.024 18210 6576 1 8 . 1 1 21 21 SER CA C 21 56.537 56.537 56.093 0.444 18210 6577 1 8 . 1 1 21 21 SER CB C 21 65.257 65.257 64.396 0.861 18210 6578 1 8 . 1 1 21 21 SER H H 21 8.761 8.761 8.547 0.214 18210 6579 1 8 . 1 1 22 22 ILE N N 22 122.867 122.867 122.731 0.136 18210 6580 1 8 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.878 0.281 18210 6581 1 8 . 1 1 22 22 ILE C C 22 177.561 177.561 177.068 0.493 18210 6582 1 8 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.682 -0.969 18210 6583 1 8 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.735 0.120 18210 6584 1 8 . 1 1 22 22 ILE H H 22 8.646 8.646 8.695 -0.049 18210 6585 1 8 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.466 0.079 18210 6586 1 8 . 1 1 23 23 ASN C C 23 176.647 176.647 177.750 -1.103 18210 6587 1 8 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.907 -0.401 18210 6588 1 8 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.025 0.428 18210 6589 1 8 . 1 1 24 24 GLU N N 24 118.601 118.601 118.682 -0.081 18210 6590 1 8 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.221 0.065 18210 6591 1 8 . 1 1 24 24 GLU C C 24 177.998 177.998 178.150 -0.152 18210 6592 1 8 . 1 1 24 24 GLU CA C 24 58.306 58.306 58.962 -0.656 18210 6593 1 8 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.587 1.071 18210 6594 1 8 . 1 1 24 24 GLU H H 24 7.837 7.837 7.579 0.258 18210 6595 1 8 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.066 0.107 18210 6596 1 8 . 1 1 25 25 ILE C C 25 176.641 176.641 176.559 0.082 18210 6597 1 8 . 1 1 25 25 ILE CA C 25 62.612 62.612 62.656 -0.044 18210 6598 1 8 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.235 0.125 18210 6599 1 8 . 1 1 26 26 SER N N 26 116.293 116.293 115.973 0.320 18210 6600 1 8 . 1 1 26 26 SER HA H 26 4.663 4.663 4.358 0.305 18210 6601 1 8 . 1 1 26 26 SER C C 26 174.462 174.462 175.114 -0.652 18210 6602 1 8 . 1 1 26 26 SER CA C 26 58.392 58.392 58.841 -0.449 18210 6603 1 8 . 1 1 26 26 SER CB C 26 64.380 64.380 64.615 -0.235 18210 6604 1 8 . 1 1 26 26 SER H H 26 7.813 7.813 7.887 -0.074 18210 6605 1 8 . 1 1 27 27 ASN N N 27 121.919 121.919 121.401 0.518 18210 6606 1 8 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.543 0.178 18210 6607 1 8 . 1 1 27 27 ASN C C 27 175.869 175.869 175.662 0.207 18210 6608 1 8 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.400 0.610 18210 6609 1 8 . 1 1 27 27 ASN CB C 27 38.640 38.640 37.812 0.828 18210 6610 1 8 . 1 1 27 27 ASN H H 27 8.521 8.521 7.976 0.545 18210 6611 1 8 . 1 1 28 28 LYS N N 28 121.697 121.697 121.266 0.431 18210 6612 1 8 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.380 -0.020 18210 6613 1 8 . 1 1 28 28 LYS C C 28 176.952 176.952 175.681 1.271 18210 6614 1 8 . 1 1 28 28 LYS CA C 28 56.967 56.967 56.215 0.751 18210 6615 1 8 . 1 1 28 28 LYS CB C 28 32.730 32.730 30.730 2.000 18210 6616 1 8 . 1 1 28 28 LYS H H 28 8.367 8.367 7.910 0.457 18210 6617 1 8 . 1 1 29 29 SER HA H 29 4.498 4.498 4.641 -0.143 18210 6618 1 8 . 1 1 29 29 SER C C 29 174.741 174.741 173.850 0.891 18210 6619 1 8 . 1 1 29 29 SER CA C 29 58.557 58.557 58.068 0.489 18210 6620 1 8 . 1 1 29 29 SER CB C 29 63.945 63.945 64.585 -0.640 18210 6621 1 8 . 1 1 30 30 SER N N 30 116.470 116.470 118.365 -1.895 18210 6622 1 8 . 1 1 30 30 SER HA H 30 4.429 4.429 4.351 0.078 18210 6623 1 8 . 1 1 30 30 SER C C 30 174.467 174.467 174.748 -0.281 18210 6624 1 8 . 1 1 30 30 SER CA C 30 58.616 58.616 59.781 -1.165 18210 6625 1 8 . 1 1 30 30 SER CB C 30 63.834 63.834 64.046 -0.212 18210 6626 1 8 . 1 1 30 30 SER H H 30 8.140 8.140 7.943 0.197 18210 6627 1 8 . 1 1 31 31 ASN N N 31 119.457 119.457 117.844 1.613 18210 6628 1 8 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.738 -0.041 18210 6629 1 8 . 1 1 31 31 ASN C C 31 174.930 174.930 174.424 0.506 18210 6630 1 8 . 1 1 31 31 ASN CA C 31 53.583 53.583 54.244 -0.661 18210 6631 1 8 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.678 0.055 18210 6632 1 8 . 1 1 31 31 ASN H H 31 8.354 8.354 8.676 -0.322 18210 6633 1 8 . 1 1 32 32 ASN N N 32 118.038 118.038 119.655 -1.617 18210 6634 1 8 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.778 -0.080 18210 6635 1 8 . 1 1 32 32 ASN C C 32 174.979 174.979 174.490 0.489 18210 6636 1 8 . 1 1 32 32 ASN CA C 32 53.580 53.580 52.632 0.948 18210 6637 1 8 . 1 1 32 32 ASN CB C 32 38.810 38.810 38.515 0.295 18210 6638 1 8 . 1 1 32 32 ASN H H 32 8.218 8.218 8.216 0.002 18210 6639 1 8 . 1 1 33 33 GLN N N 33 119.603 119.603 124.692 -5.089 18210 6640 1 8 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.611 -0.258 18210 6641 1 8 . 1 1 33 33 GLN C C 33 175.735 175.735 174.745 0.990 18210 6642 1 8 . 1 1 33 33 GLN CA C 33 55.883 55.883 54.619 1.264 18210 6643 1 8 . 1 1 33 33 GLN CB C 33 29.131 29.131 26.851 2.280 18210 6644 1 8 . 1 1 33 33 GLN H H 33 8.337 8.337 8.651 -0.314 18210 6645 1 8 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.467 -0.189 18210 6646 1 8 . 1 1 34 34 GLN C C 34 175.170 175.170 174.135 1.035 18210 6647 1 8 . 1 1 34 34 GLN CA C 34 56.102 56.102 54.478 1.624 18210 6648 1 8 . 1 1 34 34 GLN CB C 34 29.870 29.870 30.791 -0.921 18210 6649 1 8 . 1 1 34 34 GLN H H 34 8.087 8.087 7.587 0.500 18210 6650 1 8 . 1 1 35 35 ASP HA H 35 4.720 4.720 4.530 0.190 18210 6651 1 8 . 1 1 35 35 ASP C C 35 175.810 175.810 175.990 -0.180 18210 6652 1 8 . 1 1 35 35 ASP CA C 35 54.292 54.292 54.688 -0.396 18210 6653 1 8 . 1 1 35 35 ASP CB C 35 41.462 41.462 40.953 0.509 18210 6654 1 8 . 1 1 35 35 ASP H H 35 8.033 8.033 8.257 -0.224 18210 6655 1 8 . 1 1 36 36 ILE N N 36 122.378 122.378 123.897 -1.519 18210 6656 1 8 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.264 -0.200 18210 6657 1 8 . 1 1 36 36 ILE C C 36 173.823 173.823 174.700 -0.877 18210 6658 1 8 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.575 0.931 18210 6659 1 8 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.877 -0.165 18210 6660 1 8 . 1 1 36 36 ILE H H 36 8.421 8.421 8.004 0.417 18210 6661 1 8 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.804 -0.297 18210 6662 1 8 . 1 1 37 37 VAL C C 37 174.956 174.956 175.643 -0.687 18210 6663 1 8 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.610 0.925 18210 6664 1 8 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.387 -1.455 18210 6665 1 8 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.657 0.124 18210 6666 1 8 . 1 1 38 38 CYS C C 38 172.106 172.106 174.476 -2.370 18210 6667 1 8 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.246 -3.028 18210 6668 1 8 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.608 23.349 18210 6669 1 8 . 1 1 39 39 THR N N 39 123.385 123.385 123.626 -0.241 18210 6670 1 8 . 1 1 39 39 THR HA H 39 4.998 4.998 4.752 0.246 18210 6671 1 8 . 1 1 39 39 THR C C 39 174.687 174.687 173.427 1.260 18210 6672 1 8 . 1 1 39 39 THR CA C 39 61.514 61.514 62.504 -0.990 18210 6673 1 8 . 1 1 39 39 THR CB C 39 69.880 69.880 69.145 0.735 18210 6674 1 8 . 1 1 39 39 THR H H 39 8.229 8.229 8.633 -0.404 18210 6675 1 8 . 1 1 40 40 VAL N N 40 125.782 125.782 121.474 4.308 18210 6676 1 8 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.558 -0.278 18210 6677 1 8 . 1 1 40 40 VAL C C 40 173.622 173.622 173.845 -0.223 18210 6678 1 8 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.529 0.878 18210 6679 1 8 . 1 1 40 40 VAL CB C 40 34.800 34.800 34.532 0.268 18210 6680 1 8 . 1 1 40 40 VAL H H 40 8.892 8.892 7.877 1.015 18210 6681 1 8 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.497 0.408 18210 6682 1 8 . 1 1 41 41 LYS C C 41 175.624 175.624 175.864 -0.240 18210 6683 1 8 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.968 -1.721 18210 6684 1 8 . 1 1 41 41 LYS CB C 41 31.902 31.902 32.996 -1.094 18210 6685 1 8 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.618 -0.311 18210 6686 1 8 . 1 1 42 42 ALA C C 42 175.028 175.028 175.336 -0.308 18210 6687 1 8 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.202 0.342 18210 6688 1 8 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.339 0.894 18210 6689 1 8 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.792 -0.013 18210 6690 1 8 . 1 1 43 43 HIS C C 43 172.767 172.767 174.935 -2.168 18210 6691 1 8 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.545 -1.944 18210 6692 1 8 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.805 -2.506 18210 6693 1 8 . 1 1 43 43 HIS H H 43 8.722 8.722 8.658 0.064 18210 6694 1 8 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.138 -0.098 18210 6695 1 8 . 1 1 44 44 ALA C C 44 178.087 178.087 177.900 0.187 18210 6696 1 8 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.300 -0.438 18210 6697 1 8 . 1 1 44 44 ALA CB C 44 19.024 19.024 18.965 0.059 18210 6698 1 8 . 1 1 44 44 ALA H H 44 8.468 8.468 8.059 0.409 18210 6699 1 8 . 1 1 45 45 ASN N N 45 113.483 113.483 113.459 0.024 18210 6700 1 8 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.837 -0.495 18210 6701 1 8 . 1 1 45 45 ASN C C 45 174.441 174.441 174.714 -0.273 18210 6702 1 8 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.121 2.207 18210 6703 1 8 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.512 -0.833 18210 6704 1 8 . 1 1 45 45 ASN H H 45 7.356 7.356 8.594 -1.238 18210 6705 1 8 . 1 1 46 46 ASP N N 46 120.941 120.941 120.348 0.593 18210 6706 1 8 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.746 -0.155 18210 6707 1 8 . 1 1 46 46 ASP C C 46 175.724 175.724 175.969 -0.245 18210 6708 1 8 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.831 1.338 18210 6709 1 8 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.218 0.302 18210 6710 1 8 . 1 1 46 46 ASP H H 46 7.959 7.959 8.358 -0.399 18210 6711 1 8 . 1 1 47 47 LEU N N 47 123.735 123.735 121.548 2.187 18210 6712 1 8 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.433 0.543 18210 6713 1 8 . 1 1 47 47 LEU C C 47 175.735 175.735 176.967 -1.232 18210 6714 1 8 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.822 -0.131 18210 6715 1 8 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.528 1.038 18210 6716 1 8 . 1 1 47 47 LEU H H 47 8.156 8.156 8.484 -0.328 18210 6717 1 8 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.591 0.680 18210 6718 1 8 . 1 1 48 48 ILE C C 48 175.979 175.979 175.356 0.623 18210 6719 1 8 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.997 -0.044 18210 6720 1 8 . 1 1 48 48 ILE CB C 48 44.138 44.138 40.706 3.432 18210 6721 1 8 . 1 1 49 49 GLY N N 49 102.726 102.726 111.656 -8.930 18210 6722 1 8 . 1 1 49 49 GLY C C 49 169.506 169.506 171.810 -2.304 18210 6723 1 8 . 1 1 49 49 GLY CA C 49 48.190 48.190 46.106 2.084 18210 6724 1 8 . 1 1 49 49 GLY H H 49 7.900 7.900 8.487 -0.587 18210 6725 1 8 . 1 1 50 50 PHE N N 50 111.884 111.884 116.251 -4.367 18210 6726 1 8 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.946 -0.033 18210 6727 1 8 . 1 1 50 50 PHE C C 50 171.823 171.823 171.966 -0.143 18210 6728 1 8 . 1 1 50 50 PHE CA C 50 55.727 55.727 55.117 0.610 18210 6729 1 8 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.942 0.087 18210 6730 1 8 . 1 1 50 50 PHE H H 50 8.248 8.248 7.583 0.665 18210 6731 1 8 . 1 1 51 51 LYS N N 51 117.924 117.924 118.787 -0.863 18210 6732 1 8 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.171 0.213 18210 6733 1 8 . 1 1 51 51 LYS C C 51 176.140 176.140 174.521 1.619 18210 6734 1 8 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.974 -0.553 18210 6735 1 8 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.132 0.788 18210 6736 1 8 . 1 1 51 51 LYS H H 51 7.857 7.857 7.824 0.033 18210 6737 1 8 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.133 -0.112 18210 6738 1 8 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.806 -4.615 18210 6739 1 8 . 1 1 52 52 CYS CB C 52 41.187 41.187 29.940 11.247 18210 6740 1 8 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.388 -0.011 18210 6741 1 8 . 1 1 53 53 PRO C C 53 177.624 177.624 177.245 0.379 18210 6742 1 8 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.400 -0.830 18210 6743 1 8 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.353 -1.097 18210 6744 1 8 . 1 1 54 54 SER HA H 54 4.106 4.106 4.227 -0.121 18210 6745 1 8 . 1 1 54 54 SER C C 54 174.271 174.271 174.649 -0.378 18210 6746 1 8 . 1 1 54 54 SER CA C 54 61.221 61.221 60.399 0.822 18210 6747 1 8 . 1 1 54 54 SER CB C 54 63.243 63.243 63.213 0.030 18210 6748 1 8 . 1 1 55 55 ASN N N 55 115.116 115.116 117.520 -2.404 18210 6749 1 8 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.864 -0.191 18210 6750 1 8 . 1 1 55 55 ASN C C 55 174.556 174.556 174.076 0.480 18210 6751 1 8 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.589 0.275 18210 6752 1 8 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.865 -1.941 18210 6753 1 8 . 1 1 55 55 ASN H H 55 8.712 8.712 8.322 0.390 18210 6754 1 8 . 1 1 56 56 TYR N N 56 120.489 120.489 118.451 2.038 18210 6755 1 8 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.545 0.147 18210 6756 1 8 . 1 1 56 56 TYR C C 56 176.019 176.019 175.152 0.867 18210 6757 1 8 . 1 1 56 56 TYR CA C 56 57.469 57.469 58.508 -1.039 18210 6758 1 8 . 1 1 56 56 TYR CB C 56 38.698 38.698 40.773 -2.075 18210 6759 1 8 . 1 1 56 56 TYR H H 56 7.637 7.637 7.611 0.026 18210 6760 1 8 . 1 1 57 57 SER N N 57 117.381 117.381 115.088 2.293 18210 6761 1 8 . 1 1 57 57 SER HA H 57 4.915 4.915 4.800 0.115 18210 6762 1 8 . 1 1 57 57 SER C C 57 173.649 173.649 173.718 -0.069 18210 6763 1 8 . 1 1 57 57 SER CA C 57 57.586 57.586 56.432 1.154 18210 6764 1 8 . 1 1 57 57 SER CB C 57 64.766 64.766 64.482 0.284 18210 6765 1 8 . 1 1 57 57 SER H H 57 9.323 9.323 8.353 0.970 18210 6766 1 8 . 1 1 58 58 VAL N N 58 125.696 125.696 121.907 3.789 18210 6767 1 8 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.481 0.331 18210 6768 1 8 . 1 1 58 58 VAL C C 58 174.911 174.911 175.255 -0.344 18210 6769 1 8 . 1 1 58 58 VAL CA C 58 61.889 61.889 60.956 0.933 18210 6770 1 8 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.024 1.161 18210 6771 1 8 . 1 1 58 58 VAL H H 58 8.474 8.474 8.705 -0.231 18210 6772 1 8 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.973 -0.313 18210 6773 1 8 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.669 -0.070 18210 6774 1 8 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.233 -0.323 18210 6775 1 8 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.627 0.073 18210 6776 1 8 . 1 1 60 60 PRO C C 60 176.708 176.708 176.343 0.365 18210 6777 1 8 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.096 -0.365 18210 6778 1 8 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.456 1.550 18210 6779 1 8 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.621 -0.258 18210 6780 1 8 . 1 1 61 61 HIS C C 61 174.320 174.320 174.648 -0.328 18210 6781 1 8 . 1 1 61 61 HIS CA C 61 58.473 58.473 57.906 0.567 18210 6782 1 8 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.179 -2.664 18210 6783 1 8 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.666 0.377 18210 6784 1 8 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.289 -1.951 18210 6785 1 8 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.426 -0.916 18210 6786 1 8 . 1 1 63 63 CYS N N 63 120.346 120.346 118.091 2.255 18210 6787 1 8 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.804 -0.581 18210 6788 1 8 . 1 1 63 63 CYS C C 63 171.976 171.976 175.334 -3.358 18210 6789 1 8 . 1 1 63 63 CYS CA C 63 59.504 59.504 59.791 -0.286 18210 6790 1 8 . 1 1 63 63 CYS CB C 63 41.081 41.081 28.238 12.843 18210 6791 1 8 . 1 1 63 63 CYS H H 63 6.446 6.446 8.246 -1.800 18210 6792 1 8 . 1 1 64 64 PHE N N 64 116.155 116.155 116.798 -0.643 18210 6793 1 8 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.470 -0.250 18210 6794 1 8 . 1 1 64 64 PHE C C 64 177.110 177.110 177.232 -0.122 18210 6795 1 8 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.510 0.081 18210 6796 1 8 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.882 3.267 18210 6797 1 8 . 1 1 64 64 PHE H H 64 7.697 7.697 7.497 0.200 18210 6798 1 8 . 1 1 65 65 VAL N N 65 119.794 119.794 119.867 -0.073 18210 6799 1 8 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.828 0.137 18210 6800 1 8 . 1 1 65 65 VAL C C 65 176.948 176.948 175.624 1.324 18210 6801 1 8 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.684 1.279 18210 6802 1 8 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.682 -0.598 18210 6803 1 8 . 1 1 65 65 VAL H H 65 8.449 8.449 7.292 1.157 18210 6804 1 8 . 1 1 66 66 SER N N 66 113.648 113.648 109.493 4.155 18210 6805 1 8 . 1 1 66 66 SER HA H 66 5.041 5.041 4.382 0.659 18210 6806 1 8 . 1 1 66 66 SER C C 66 173.905 173.905 172.355 1.550 18210 6807 1 8 . 1 1 66 66 SER CA C 66 56.701 56.701 57.880 -1.179 18210 6808 1 8 . 1 1 66 66 SER CB C 66 65.738 65.738 63.781 1.958 18210 6809 1 8 . 1 1 66 66 SER H H 66 7.706 7.706 7.476 0.230 18210 6810 1 8 . 1 1 67 67 ALA N N 67 115.370 115.370 125.949 -10.579 18210 6811 1 8 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.267 -0.223 18210 6812 1 8 . 1 1 67 67 ALA C C 67 175.316 175.316 174.431 0.885 18210 6813 1 8 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.735 0.387 18210 6814 1 8 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.581 3.246 18210 6815 1 8 . 1 1 67 67 ALA H H 67 9.280 9.280 7.823 1.457 18210 6816 1 8 . 1 1 68 68 PHE N N 68 116.820 116.820 117.579 -0.759 18210 6817 1 8 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.135 -0.136 18210 6818 1 8 . 1 1 68 68 PHE C C 68 176.533 176.533 176.541 -0.008 18210 6819 1 8 . 1 1 68 68 PHE CA C 68 57.538 57.538 57.001 0.537 18210 6820 1 8 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.387 -0.423 18210 6821 1 8 . 1 1 68 68 PHE H H 68 8.520 8.520 8.611 -0.091 18210 6822 1 8 . 1 1 69 69 ASN N N 69 118.203 118.203 121.274 -3.071 18210 6823 1 8 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.709 0.333 18210 6824 1 8 . 1 1 69 69 ASN C C 69 176.820 176.820 177.402 -0.582 18210 6825 1 8 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.502 -1.466 18210 6826 1 8 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.281 0.213 18210 6827 1 8 . 1 1 69 69 ASN H H 69 8.498 8.498 8.945 -0.447 18210 6828 1 8 . 1 1 70 70 LEU N N 70 118.189 118.189 121.061 -2.872 18210 6829 1 8 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.409 -0.130 18210 6830 1 8 . 1 1 70 70 LEU C C 70 178.484 178.484 178.031 0.453 18210 6831 1 8 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.938 -0.174 18210 6832 1 8 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.901 -0.264 18210 6833 1 8 . 1 1 70 70 LEU H H 70 8.514 8.514 8.867 -0.353 18210 6834 1 8 . 1 1 71 71 SER N N 71 113.939 113.939 113.042 0.897 18210 6835 1 8 . 1 1 71 71 SER HA H 71 4.572 4.572 4.475 0.097 18210 6836 1 8 . 1 1 71 71 SER C C 71 174.682 174.682 174.880 -0.198 18210 6837 1 8 . 1 1 71 71 SER CA C 71 58.758 58.758 59.129 -0.371 18210 6838 1 8 . 1 1 71 71 SER CB C 71 63.762 63.762 63.375 0.387 18210 6839 1 8 . 1 1 71 71 SER H H 71 8.049 8.049 8.096 -0.047 18210 6840 1 8 . 1 1 72 72 GLY N N 72 109.936 109.936 107.813 2.123 18210 6841 1 8 . 1 1 72 72 GLY C C 72 173.549 173.549 173.809 -0.260 18210 6842 1 8 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.489 0.149 18210 6843 1 8 . 1 1 72 72 GLY H H 72 8.641 8.641 7.979 0.662 18210 6844 1 8 . 1 1 73 73 LYS N N 73 119.884 119.884 119.154 0.730 18210 6845 1 8 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.528 0.025 18210 6846 1 8 . 1 1 73 73 LYS C C 73 175.750 175.750 175.282 0.468 18210 6847 1 8 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.666 -0.008 18210 6848 1 8 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.842 -0.101 18210 6849 1 8 . 1 1 73 73 LYS H H 73 7.738 7.738 7.783 -0.045 18210 6850 1 8 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.995 -0.475 18210 6851 1 8 . 1 1 74 74 ASN C C 74 174.680 174.680 174.993 -0.313 18210 6852 1 8 . 1 1 74 74 ASN CA C 74 54.232 54.232 52.984 1.248 18210 6853 1 8 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.825 0.502 18210 6854 1 8 . 1 1 75 75 GLU N N 75 124.834 124.834 127.476 -2.642 18210 6855 1 8 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.430 0.168 18210 6856 1 8 . 1 1 75 75 GLU C C 75 174.547 174.547 175.223 -0.676 18210 6857 1 8 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.504 -0.617 18210 6858 1 8 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.087 -0.179 18210 6859 1 8 . 1 1 75 75 GLU H H 75 8.835 8.835 8.106 0.729 18210 6860 1 8 . 1 1 76 76 ASN N N 76 121.549 121.549 123.226 -1.677 18210 6861 1 8 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.652 0.023 18210 6862 1 8 . 1 1 76 76 ASN C C 76 175.670 175.670 175.843 -0.173 18210 6863 1 8 . 1 1 76 76 ASN CA C 76 54.120 54.120 54.275 -0.155 18210 6864 1 8 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.720 0.322 18210 6865 1 8 . 1 1 76 76 ASN H H 76 8.580 8.580 8.748 -0.168 18210 6866 1 8 . 1 1 77 77 LEU N N 77 125.808 125.808 124.218 1.590 18210 6867 1 8 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.501 -0.394 18210 6868 1 8 . 1 1 77 77 LEU C C 77 178.104 178.104 176.861 1.243 18210 6869 1 8 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.700 1.291 18210 6870 1 8 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.247 0.137 18210 6871 1 8 . 1 1 77 77 LEU H H 77 8.610 8.610 8.100 0.510 18210 6872 1 8 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.221 -0.205 18210 6873 1 8 . 1 1 78 78 GLU C C 78 176.833 176.833 177.213 -0.380 18210 6874 1 8 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.564 1.086 18210 6875 1 8 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.460 1.224 18210 6876 1 8 . 1 1 79 79 ASN N N 79 114.719 114.719 116.982 -2.263 18210 6877 1 8 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.486 0.078 18210 6878 1 8 . 1 1 79 79 ASN C C 79 175.510 175.510 175.903 -0.393 18210 6879 1 8 . 1 1 79 79 ASN CA C 79 54.392 54.392 54.895 -0.503 18210 6880 1 8 . 1 1 79 79 ASN CB C 79 38.718 38.718 38.156 0.562 18210 6881 1 8 . 1 1 79 79 ASN H H 79 8.257 8.257 8.454 -0.197 18210 6882 1 8 . 1 1 80 80 LYS N N 80 118.906 118.906 119.375 -0.469 18210 6883 1 8 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.139 0.154 18210 6884 1 8 . 1 1 80 80 LYS C C 80 175.748 175.748 176.773 -1.025 18210 6885 1 8 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.901 -0.136 18210 6886 1 8 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.296 1.049 18210 6887 1 8 . 1 1 80 80 LYS H H 80 7.818 7.818 7.845 -0.027 18210 6888 1 8 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.241 -0.091 18210 6889 1 8 . 1 1 81 81 LEU C C 81 174.688 174.688 174.634 0.054 18210 6890 1 8 . 1 1 81 81 LEU CA C 81 54.522 54.522 54.316 0.206 18210 6891 1 8 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.282 -1.220 18210 6892 1 8 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.341 -0.172 18210 6893 1 8 . 1 1 82 82 LYS C C 82 175.701 175.701 175.444 0.257 18210 6894 1 8 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.510 0.658 18210 6895 1 8 . 1 1 82 82 LYS CB C 82 30.017 30.017 31.663 -1.647 18210 6896 1 8 . 1 1 83 83 LEU N N 83 120.762 120.762 126.173 -5.411 18210 6897 1 8 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.433 -0.013 18210 6898 1 8 . 1 1 83 83 LEU C C 83 177.184 177.184 177.454 -0.270 18210 6899 1 8 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.192 1.027 18210 6900 1 8 . 1 1 83 83 LEU CB C 83 42.311 42.311 43.393 -1.082 18210 6901 1 8 . 1 1 83 83 LEU H H 83 7.485 7.485 8.246 -0.761 18210 6902 1 8 . 1 1 84 84 THR N N 84 110.955 110.955 113.137 -2.182 18210 6903 1 8 . 1 1 84 84 THR HA H 84 4.712 4.712 4.500 0.212 18210 6904 1 8 . 1 1 84 84 THR C C 84 173.001 173.001 173.818 -0.817 18210 6905 1 8 . 1 1 84 84 THR CA C 84 59.883 59.883 60.456 -0.573 18210 6906 1 8 . 1 1 84 84 THR CB C 84 71.825 71.825 72.178 -0.353 18210 6907 1 8 . 1 1 84 84 THR H H 84 8.519 8.519 8.372 0.147 18210 6908 1 8 . 1 1 85 85 ASN N N 85 117.589 117.589 117.750 -0.161 18210 6909 1 8 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.367 -0.221 18210 6910 1 8 . 1 1 85 85 ASN C C 85 173.572 173.572 174.400 -0.828 18210 6911 1 8 . 1 1 85 85 ASN CA C 85 54.319 54.319 54.019 0.300 18210 6912 1 8 . 1 1 85 85 ASN CB C 85 38.908 38.908 36.865 2.043 18210 6913 1 8 . 1 1 85 85 ASN H H 85 8.850 8.850 8.833 0.017 18210 6914 1 8 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.475 -0.183 18210 6915 1 8 . 1 1 86 86 ILE C C 86 177.346 177.346 176.067 1.279 18210 6916 1 8 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.616 1.191 18210 6917 1 8 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.815 -0.116 18210 6918 1 8 . 1 1 87 87 ILE N N 87 131.807 131.807 129.031 2.776 18210 6919 1 8 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.534 -0.279 18210 6920 1 8 . 1 1 87 87 ILE C C 87 174.493 174.493 174.462 0.031 18210 6921 1 8 . 1 1 87 87 ILE CA C 87 60.152 60.152 59.989 0.163 18210 6922 1 8 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.187 1.923 18210 6923 1 8 . 1 1 87 87 ILE H H 87 9.166 9.166 8.998 0.168 18210 6924 1 8 . 1 1 88 88 MET HA H 88 4.017 4.017 4.672 -0.655 18210 6925 1 8 . 1 1 88 88 MET C C 88 173.613 173.613 174.539 -0.926 18210 6926 1 8 . 1 1 88 88 MET CA C 88 53.287 53.287 54.928 -1.641 18210 6927 1 8 . 1 1 88 88 MET CB C 88 33.478 33.478 34.517 -1.040 18210 6928 1 8 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.987 -0.290 18210 6929 1 8 . 1 1 89 89 ASP C C 89 176.750 176.750 175.774 0.976 18210 6930 1 8 . 1 1 89 89 ASP CA C 89 52.101 52.101 53.112 -1.011 18210 6931 1 8 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.460 -1.269 18210 6932 1 8 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.314 0.127 18210 6933 1 8 . 1 1 90 90 HIS C C 90 175.625 175.625 175.828 -0.203 18210 6934 1 8 . 1 1 90 90 HIS CA C 90 58.254 58.254 59.069 -0.814 18210 6935 1 8 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.223 -1.644 18210 6936 1 8 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.242 0.198 18210 6937 1 8 . 1 1 91 91 TYR C C 91 177.915 177.915 175.564 2.351 18210 6938 1 8 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.185 -0.425 18210 6939 1 8 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.654 -0.587 18210 6940 1 8 . 1 1 92 92 ASN N N 92 113.661 113.661 113.381 0.280 18210 6941 1 8 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.441 0.332 18210 6942 1 8 . 1 1 92 92 ASN C C 92 174.762 174.762 174.735 0.027 18210 6943 1 8 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.873 -0.258 18210 6944 1 8 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.385 0.897 18210 6945 1 8 . 1 1 92 92 ASN H H 92 7.713 7.713 8.321 -0.608 18210 6946 1 8 . 1 1 93 93 ASN N N 93 125.176 125.176 115.184 9.992 18210 6947 1 8 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.224 0.485 18210 6948 1 8 . 1 1 93 93 ASN C C 93 172.729 172.729 173.237 -0.508 18210 6949 1 8 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.437 -1.702 18210 6950 1 8 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.643 1.318 18210 6951 1 8 . 1 1 93 93 ASN H H 93 7.804 7.804 7.990 -0.186 18210 6952 1 8 . 1 1 94 94 THR N N 94 109.900 109.900 111.983 -2.083 18210 6953 1 8 . 1 1 94 94 THR HA H 94 4.852 4.852 4.845 0.007 18210 6954 1 8 . 1 1 94 94 THR C C 94 170.824 170.824 171.693 -0.869 18210 6955 1 8 . 1 1 94 94 THR CA C 94 61.817 61.817 60.535 1.282 18210 6956 1 8 . 1 1 94 94 THR CB C 94 71.074 71.074 70.875 0.199 18210 6957 1 8 . 1 1 94 94 THR H H 94 7.654 7.654 7.219 0.435 18210 6958 1 8 . 1 1 95 95 PHE N N 95 126.721 126.721 125.542 1.179 18210 6959 1 8 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.337 -0.229 18210 6960 1 8 . 1 1 95 95 PHE C C 95 174.143 174.143 174.196 -0.053 18210 6961 1 8 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.605 -0.036 18210 6962 1 8 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.625 0.168 18210 6963 1 8 . 1 1 95 95 PHE H H 95 8.166 8.166 7.735 0.431 18210 6964 1 8 . 1 1 96 96 TYR N N 96 115.709 115.709 119.985 -4.276 18210 6965 1 8 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.408 0.659 18210 6966 1 8 . 1 1 96 96 TYR C C 96 175.734 175.734 175.146 0.588 18210 6967 1 8 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.669 -0.237 18210 6968 1 8 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.687 1.480 18210 6969 1 8 . 1 1 96 96 TYR H H 96 9.149 9.149 8.675 0.474 18210 6970 1 8 . 1 1 97 97 SER N N 97 109.503 109.503 114.559 -5.056 18210 6971 1 8 . 1 1 97 97 SER HA H 97 4.430 4.430 5.171 -0.741 18210 6972 1 8 . 1 1 97 97 SER C C 97 170.684 170.684 173.172 -2.488 18210 6973 1 8 . 1 1 97 97 SER CA C 97 59.324 59.324 57.850 1.474 18210 6974 1 8 . 1 1 97 97 SER CB C 97 66.341 66.341 66.703 -0.362 18210 6975 1 8 . 1 1 97 97 SER H H 97 8.921 8.921 9.290 -0.369 18210 6976 1 8 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.773 0.621 18210 6977 1 8 . 1 1 98 98 ARG C C 98 175.850 175.850 175.051 0.799 18210 6978 1 8 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.266 -0.090 18210 6979 1 8 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.301 0.826 18210 6980 1 8 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.607 -0.277 18210 6981 1 8 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.572 1.234 18210 6982 1 8 . 1 1 99 99 LEU CB C 99 40.903 40.903 41.666 -0.763 18210 6983 1 8 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.338 0.338 18210 6984 1 8 . 1 1 100 100 PRO C C 100 175.744 175.744 176.810 -1.066 18210 6985 1 8 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.022 -0.733 18210 6986 1 8 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.721 0.065 18210 6987 1 8 . 1 1 101 101 SER HA H 101 4.126 4.126 4.339 -0.213 18210 6988 1 8 . 1 1 101 101 SER C C 101 173.214 173.214 174.235 -1.021 18210 6989 1 8 . 1 1 101 101 SER CA C 101 60.265 60.265 59.581 0.684 18210 6990 1 8 . 1 1 101 101 SER CB C 101 63.660 63.660 63.510 0.150 18210 6991 1 8 . 1 1 102 102 LEU N N 102 121.389 121.389 121.904 -0.515 18210 6992 1 8 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.560 -0.028 18210 6993 1 8 . 1 1 102 102 LEU C C 102 175.187 175.187 175.352 -0.165 18210 6994 1 8 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.630 0.056 18210 6995 1 8 . 1 1 102 102 LEU CB C 102 44.380 44.380 43.942 0.438 18210 6996 1 8 . 1 1 102 102 LEU H H 102 7.179 7.179 7.450 -0.271 18210 6997 1 8 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.448 -0.005 18210 6998 1 8 . 1 1 103 103 ILE C C 103 175.490 175.490 175.797 -0.307 18210 6999 1 8 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.727 -1.818 18210 7000 1 8 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.068 0.611 18210 7001 1 8 . 1 1 104 104 SER N N 104 120.807 120.807 120.697 0.110 18210 7002 1 8 . 1 1 104 104 SER HA H 104 4.581 4.581 4.587 -0.006 18210 7003 1 8 . 1 1 104 104 SER C C 104 173.234 173.234 174.240 -1.006 18210 7004 1 8 . 1 1 104 104 SER CA C 104 58.166 58.166 57.667 0.499 18210 7005 1 8 . 1 1 104 104 SER CB C 104 64.341 64.341 64.216 0.125 18210 7006 1 8 . 1 1 104 104 SER H H 104 8.471 8.471 8.333 0.138 18210 7007 1 8 . 1 1 105 105 ASP N N 105 119.103 119.103 122.334 -3.231 18210 7008 1 8 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.740 -0.091 18210 7009 1 8 . 1 1 105 105 ASP C C 105 174.991 174.991 175.681 -0.690 18210 7010 1 8 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.174 -0.440 18210 7011 1 8 . 1 1 105 105 ASP CB C 105 42.477 42.477 42.254 0.223 18210 7012 1 8 . 1 1 105 105 ASP H H 105 8.060 8.060 7.884 0.176 18210 7013 1 8 . 1 1 106 106 ASN N N 106 116.036 116.036 119.649 -3.613 18210 7014 1 8 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.816 -0.081 18210 7015 1 8 . 1 1 106 106 ASN C C 106 174.308 174.308 175.256 -0.948 18210 7016 1 8 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.814 0.966 18210 7017 1 8 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.448 0.574 18210 7018 1 8 . 1 1 106 106 ASN H H 106 8.389 8.389 8.431 -0.042 18210 7019 1 8 . 1 1 107 107 TRP N N 107 119.645 119.645 120.300 -0.655 18210 7020 1 8 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.591 0.238 18210 7021 1 8 . 1 1 107 107 TRP C C 107 174.949 174.949 175.096 -0.147 18210 7022 1 8 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.335 -0.143 18210 7023 1 8 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.866 2.347 18210 7024 1 8 . 1 1 107 107 TRP H H 107 7.846 7.846 8.135 -0.289 18210 7025 1 8 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.627 0.835 18210 7026 1 8 . 1 1 108 108 LYS C C 108 174.986 174.986 174.926 0.060 18210 7027 1 8 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.309 0.887 18210 7028 1 8 . 1 1 108 108 LYS CB C 108 36.215 36.215 35.743 0.472 18210 7029 1 8 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.369 0.176 18210 7030 1 8 . 1 1 109 109 PHE C C 109 172.950 172.950 172.499 0.451 18210 7031 1 8 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.315 0.105 18210 7032 1 8 . 1 1 109 109 PHE CB C 109 41.891 41.891 41.901 -0.010 18210 7033 1 8 . 1 1 110 110 PHE N N 110 115.390 115.390 114.591 0.799 18210 7034 1 8 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.162 0.870 18210 7035 1 8 . 1 1 110 110 PHE C C 110 173.892 173.892 173.531 0.361 18210 7036 1 8 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.568 0.664 18210 7037 1 8 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.865 2.501 18210 7038 1 8 . 1 1 110 110 PHE H H 110 9.267 9.267 7.778 1.489 18210 7039 1 8 . 1 1 111 111 CYS N N 111 116.463 116.463 117.600 -1.137 18210 7040 1 8 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.938 0.123 18210 7041 1 8 . 1 1 111 111 CYS C C 111 171.900 171.900 173.130 -1.230 18210 7042 1 8 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.521 -3.669 18210 7043 1 8 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.439 16.391 18210 7044 1 8 . 1 1 111 111 CYS H H 111 9.274 9.274 8.975 0.299 18210 7045 1 8 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.135 0.067 18210 7046 1 8 . 1 1 112 112 VAL C C 112 175.041 175.041 174.407 0.634 18210 7047 1 8 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.593 -0.150 18210 7048 1 8 . 1 1 112 112 VAL CB C 112 36.577 36.577 35.769 0.808 18210 7049 1 8 . 1 1 112 112 VAL H H 112 9.605 9.605 8.512 1.093 18210 7050 1 8 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.497 0.263 18210 7051 1 8 . 1 1 113 113 CYS C C 113 173.601 173.601 173.937 -0.336 18210 7052 1 8 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.613 -4.792 18210 7053 1 8 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.209 14.736 18210 7054 1 8 . 1 1 114 114 SER N N 114 117.968 117.968 118.988 -1.020 18210 7055 1 8 . 1 1 114 114 SER HA H 114 5.093 5.093 5.035 0.058 18210 7056 1 8 . 1 1 114 114 SER C C 114 172.267 172.267 172.497 -0.230 18210 7057 1 8 . 1 1 114 114 SER CA C 114 56.677 56.677 58.013 -1.336 18210 7058 1 8 . 1 1 114 114 SER CB C 114 66.795 66.795 65.576 1.219 18210 7059 1 8 . 1 1 114 114 SER H H 114 9.250 9.250 9.269 -0.019 18210 7060 1 8 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.508 -0.402 18210 7061 1 8 . 1 1 115 115 LYS C C 115 174.527 174.527 174.471 0.056 18210 7062 1 8 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.081 0.841 18210 7063 1 8 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.291 -2.282 18210 7064 1 8 . 1 1 115 115 LYS H H 115 8.705 8.705 8.394 0.311 18210 7065 1 8 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.507 -0.316 18210 7066 1 8 . 1 1 116 116 ASP C C 116 176.002 176.002 176.687 -0.685 18210 7067 1 8 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.301 1.012 18210 7068 1 8 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.978 -0.531 18210 7069 1 8 . 1 1 117 117 ASN N N 117 116.913 116.913 119.875 -2.962 18210 7070 1 8 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.187 0.252 18210 7071 1 8 . 1 1 117 117 ASN C C 117 174.246 174.246 173.684 0.562 18210 7072 1 8 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.579 -0.146 18210 7073 1 8 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.086 0.096 18210 7074 1 8 . 1 1 117 117 ASN H H 117 8.752 8.752 8.602 0.150 18210 7075 1 8 . 1 1 118 118 GLU N N 118 116.615 116.615 118.682 -2.067 18210 7076 1 8 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.406 0.354 18210 7077 1 8 . 1 1 118 118 GLU C C 118 177.397 177.397 175.709 1.688 18210 7078 1 8 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.279 -0.971 18210 7079 1 8 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.082 -1.991 18210 7080 1 8 . 1 1 118 118 GLU H H 118 7.819 7.819 8.194 -0.375 18210 7081 1 8 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.215 -0.050 18210 7082 1 8 . 1 1 119 119 LYS C C 119 177.626 177.626 176.670 0.956 18210 7083 1 8 . 1 1 119 119 LYS CA C 119 57.540 57.540 56.737 0.803 18210 7084 1 8 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.665 0.180 18210 7085 1 8 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.286 0.019 18210 7086 1 8 . 1 1 120 120 LYS C C 120 174.312 174.312 175.345 -1.033 18210 7087 1 8 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.950 1.156 18210 7088 1 8 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.677 -0.489 18210 7089 1 8 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.294 0.265 18210 7090 1 8 . 1 1 121 121 LEU C C 121 174.893 174.893 175.010 -0.117 18210 7091 1 8 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.571 -0.967 18210 7092 1 8 . 1 1 121 121 LEU CB C 121 39.606 39.606 43.073 -3.467 18210 7093 1 8 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.526 -0.165 18210 7094 1 8 . 1 1 122 122 VAL C C 122 173.909 173.909 174.238 -0.329 18210 7095 1 8 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.290 0.738 18210 7096 1 8 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.701 -0.107 18210 7097 1 8 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.866 0.309 18210 7098 1 8 . 1 1 123 123 PHE C C 123 173.230 173.230 173.154 0.076 18210 7099 1 8 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.251 0.063 18210 7100 1 8 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.407 -0.575 18210 7101 1 8 . 1 1 124 124 THR N N 124 121.688 121.688 123.568 -1.880 18210 7102 1 8 . 1 1 124 124 THR HA H 124 4.885 4.885 4.712 0.173 18210 7103 1 8 . 1 1 124 124 THR C C 124 170.874 170.874 172.107 -1.233 18210 7104 1 8 . 1 1 124 124 THR CA C 124 60.087 60.087 59.575 0.512 18210 7105 1 8 . 1 1 124 124 THR CB C 124 70.942 70.942 70.923 0.019 18210 7106 1 8 . 1 1 124 124 THR H H 124 8.493 8.493 7.870 0.623 18210 7107 1 8 . 1 1 125 125 VAL N N 125 125.781 125.781 120.706 5.075 18210 7108 1 8 . 1 1 125 125 VAL HA H 125 4.516 4.516 4.939 -0.423 18210 7109 1 8 . 1 1 125 125 VAL C C 125 173.796 173.796 172.846 0.950 18210 7110 1 8 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.785 1.006 18210 7111 1 8 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.519 -2.285 18210 7112 1 8 . 1 1 125 125 VAL H H 125 8.275 8.275 7.761 0.514 18210 7113 1 8 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.660 0.229 18210 7114 1 8 . 1 1 126 126 GLU C C 126 173.519 173.519 174.696 -1.177 18210 7115 1 8 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.584 -0.618 18210 7116 1 8 . 1 1 126 126 GLU CB C 126 32.962 32.962 34.166 -1.204 18210 7117 1 8 . 1 1 126 126 GLU H H 126 8.262 8.262 7.797 0.465 18210 7118 1 9 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.467 -0.298 18210 7119 1 9 . 1 1 2 2 LYS C C 2 176.160 176.160 175.084 1.076 18210 7120 1 9 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.758 0.207 18210 7121 1 9 . 1 1 2 2 LYS CB C 2 33.265 33.265 34.883 -1.618 18210 7122 1 9 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.152 -0.239 18210 7123 1 9 . 1 1 3 3 VAL C C 3 175.820 175.820 175.952 -0.132 18210 7124 1 9 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.317 1.171 18210 7125 1 9 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.588 0.192 18210 7126 1 9 . 1 1 4 4 LYS N N 4 129.029 129.029 127.613 1.416 18210 7127 1 9 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.473 0.034 18210 7128 1 9 . 1 1 4 4 LYS C C 4 174.923 174.923 176.045 -1.122 18210 7129 1 9 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.589 0.715 18210 7130 1 9 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.141 0.110 18210 7131 1 9 . 1 1 4 4 LYS H H 4 8.507 8.507 8.392 0.115 18210 7132 1 9 . 1 1 5 5 GLY N N 5 110.242 110.242 109.942 0.300 18210 7133 1 9 . 1 1 5 5 GLY C C 5 173.333 173.333 171.831 1.502 18210 7134 1 9 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.392 0.872 18210 7135 1 9 . 1 1 5 5 GLY H H 5 8.138 8.138 8.159 -0.021 18210 7136 1 9 . 1 1 6 6 CYS N N 6 114.306 114.306 120.227 -5.921 18210 7137 1 9 . 1 1 6 6 CYS HA H 6 5.251 5.251 4.901 0.350 18210 7138 1 9 . 1 1 6 6 CYS C C 6 170.891 170.891 173.081 -2.190 18210 7139 1 9 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.431 -2.581 18210 7140 1 9 . 1 1 6 6 CYS CB C 6 51.150 51.150 28.893 22.257 18210 7141 1 9 . 1 1 6 6 CYS H H 6 6.750 6.750 8.355 -1.605 18210 7142 1 9 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.967 -0.219 18210 7143 1 9 . 1 1 7 7 ASP C C 7 175.607 175.607 175.500 0.107 18210 7144 1 9 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.409 -0.171 18210 7145 1 9 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.072 -0.454 18210 7146 1 9 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.532 0.345 18210 7147 1 9 . 1 1 8 8 PHE C C 8 173.972 173.972 175.689 -1.717 18210 7148 1 9 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.610 0.845 18210 7149 1 9 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.646 0.573 18210 7150 1 9 . 1 1 9 9 THR N N 9 105.421 105.421 113.332 -7.911 18210 7151 1 9 . 1 1 9 9 THR HA H 9 4.611 4.611 4.470 0.141 18210 7152 1 9 . 1 1 9 9 THR C C 9 174.505 174.505 174.536 -0.031 18210 7153 1 9 . 1 1 9 9 THR CA C 9 61.988 61.988 62.965 -0.977 18210 7154 1 9 . 1 1 9 9 THR CB C 9 70.385 70.385 70.138 0.247 18210 7155 1 9 . 1 1 9 9 THR H H 9 8.996 8.996 8.548 0.448 18210 7156 1 9 . 1 1 10 10 THR N N 10 118.757 118.757 115.663 3.094 18210 7157 1 9 . 1 1 10 10 THR HA H 10 4.526 4.526 4.603 -0.077 18210 7158 1 9 . 1 1 10 10 THR C C 10 171.202 171.202 173.825 -2.623 18210 7159 1 9 . 1 1 10 10 THR CA C 10 60.774 60.774 61.642 -0.868 18210 7160 1 9 . 1 1 10 10 THR CB C 10 68.040 68.040 71.943 -3.903 18210 7161 1 9 . 1 1 10 10 THR H H 10 7.199 7.199 7.592 -0.393 18210 7162 1 9 . 1 1 11 11 SER N N 11 117.117 117.117 118.106 -0.989 18210 7163 1 9 . 1 1 11 11 SER HA H 11 3.907 3.907 4.322 -0.415 18210 7164 1 9 . 1 1 11 11 SER C C 11 174.988 174.988 174.630 0.358 18210 7165 1 9 . 1 1 11 11 SER CA C 11 59.563 59.563 60.940 -1.377 18210 7166 1 9 . 1 1 11 11 SER CB C 11 63.599 63.599 63.471 0.128 18210 7167 1 9 . 1 1 11 11 SER H H 11 7.997 7.997 8.598 -0.601 18210 7168 1 9 . 1 1 12 12 GLU N N 12 125.013 125.013 118.971 6.042 18210 7169 1 9 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.495 0.070 18210 7170 1 9 . 1 1 12 12 GLU C C 12 175.108 175.108 175.268 -0.160 18210 7171 1 9 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.100 -0.841 18210 7172 1 9 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.407 0.521 18210 7173 1 9 . 1 1 12 12 GLU H H 12 8.375 8.375 8.329 0.046 18210 7174 1 9 . 1 1 13 13 SER N N 13 114.959 114.959 116.603 -1.644 18210 7175 1 9 . 1 1 13 13 SER HA H 13 4.130 4.130 4.529 -0.399 18210 7176 1 9 . 1 1 13 13 SER C C 13 176.833 176.833 175.166 1.667 18210 7177 1 9 . 1 1 13 13 SER CA C 13 58.707 58.707 58.207 0.500 18210 7178 1 9 . 1 1 13 13 SER CB C 13 63.598 63.598 64.645 -1.047 18210 7179 1 9 . 1 1 13 13 SER H H 13 7.879 7.879 7.901 -0.022 18210 7180 1 9 . 1 1 14 14 THR N N 14 117.688 117.688 115.625 2.063 18210 7181 1 9 . 1 1 14 14 THR HA H 14 4.348 4.348 4.393 -0.045 18210 7182 1 9 . 1 1 14 14 THR C C 14 174.550 174.550 174.963 -0.413 18210 7183 1 9 . 1 1 14 14 THR CA C 14 62.435 62.435 62.744 -0.309 18210 7184 1 9 . 1 1 14 14 THR CB C 14 69.114 69.114 68.637 0.477 18210 7185 1 9 . 1 1 14 14 THR H H 14 8.978 8.978 8.987 -0.009 18210 7186 1 9 . 1 1 15 15 ILE N N 15 118.851 118.851 112.803 6.048 18210 7187 1 9 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.257 -0.219 18210 7188 1 9 . 1 1 15 15 ILE C C 15 175.389 175.389 173.538 1.851 18210 7189 1 9 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.743 1.956 18210 7190 1 9 . 1 1 15 15 ILE CB C 15 41.447 41.447 38.967 2.480 18210 7191 1 9 . 1 1 15 15 ILE H H 15 7.947 7.947 7.735 0.212 18210 7192 1 9 . 1 1 16 16 PHE N N 16 116.409 116.409 119.019 -2.610 18210 7193 1 9 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.656 -0.138 18210 7194 1 9 . 1 1 16 16 PHE C C 16 176.700 176.700 176.535 0.165 18210 7195 1 9 . 1 1 16 16 PHE CA C 16 57.462 57.462 55.791 1.671 18210 7196 1 9 . 1 1 16 16 PHE CB C 16 42.712 42.712 42.064 0.648 18210 7197 1 9 . 1 1 16 16 PHE H H 16 7.792 7.792 7.452 0.340 18210 7198 1 9 . 1 1 17 17 SER N N 17 114.126 114.126 118.096 -3.970 18210 7199 1 9 . 1 1 17 17 SER HA H 17 3.984 3.984 4.312 -0.328 18210 7200 1 9 . 1 1 17 17 SER C C 17 174.203 174.203 174.539 -0.336 18210 7201 1 9 . 1 1 17 17 SER CA C 17 61.176 61.176 60.881 0.295 18210 7202 1 9 . 1 1 17 17 SER CB C 17 63.438 63.438 63.439 -0.001 18210 7203 1 9 . 1 1 17 17 SER H H 17 8.666 8.666 8.656 0.010 18210 7204 1 9 . 1 1 18 18 LYS N N 18 122.828 122.828 119.912 2.916 18210 7205 1 9 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.552 0.206 18210 7206 1 9 . 1 1 18 18 LYS C C 18 174.029 174.029 175.064 -1.035 18210 7207 1 9 . 1 1 18 18 LYS CA C 18 55.661 55.661 54.893 0.768 18210 7208 1 9 . 1 1 18 18 LYS CB C 18 35.049 35.049 35.654 -0.605 18210 7209 1 9 . 1 1 18 18 LYS H H 18 8.031 8.031 7.316 0.715 18210 7210 1 9 . 1 1 19 19 GLY N N 19 112.051 112.051 108.517 3.534 18210 7211 1 9 . 1 1 19 19 GLY C C 19 172.307 172.307 172.624 -0.317 18210 7212 1 9 . 1 1 19 19 GLY CA C 19 44.946 44.946 45.133 -0.188 18210 7213 1 9 . 1 1 19 19 GLY H H 19 8.092 8.092 8.062 0.030 18210 7214 1 9 . 1 1 20 20 TYR N N 20 120.060 120.060 118.547 1.513 18210 7215 1 9 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.727 -0.157 18210 7216 1 9 . 1 1 20 20 TYR C C 20 173.557 173.557 174.482 -0.925 18210 7217 1 9 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.054 0.458 18210 7218 1 9 . 1 1 20 20 TYR CB C 20 43.091 43.091 43.352 -0.261 18210 7219 1 9 . 1 1 20 20 TYR H H 20 7.968 7.968 8.968 -1.000 18210 7220 1 9 . 1 1 21 21 SER N N 21 115.201 115.201 116.581 -1.380 18210 7221 1 9 . 1 1 21 21 SER HA H 21 4.562 4.562 4.775 -0.213 18210 7222 1 9 . 1 1 21 21 SER C C 21 176.172 176.172 176.203 -0.031 18210 7223 1 9 . 1 1 21 21 SER CA C 21 56.537 56.537 55.813 0.724 18210 7224 1 9 . 1 1 21 21 SER CB C 21 65.257 65.257 64.926 0.331 18210 7225 1 9 . 1 1 21 21 SER H H 21 8.761 8.761 8.636 0.125 18210 7226 1 9 . 1 1 22 22 ILE N N 22 122.867 122.867 122.525 0.342 18210 7227 1 9 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.936 0.223 18210 7228 1 9 . 1 1 22 22 ILE C C 22 177.561 177.561 177.276 0.285 18210 7229 1 9 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.874 -1.161 18210 7230 1 9 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.693 0.162 18210 7231 1 9 . 1 1 22 22 ILE H H 22 8.646 8.646 8.729 -0.083 18210 7232 1 9 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.464 0.081 18210 7233 1 9 . 1 1 23 23 ASN C C 23 176.647 176.647 177.564 -0.917 18210 7234 1 9 . 1 1 23 23 ASN CA C 23 55.506 55.506 56.356 -0.850 18210 7235 1 9 . 1 1 23 23 ASN CB C 23 38.453 38.453 37.913 0.540 18210 7236 1 9 . 1 1 24 24 GLU N N 24 118.601 118.601 118.662 -0.061 18210 7237 1 9 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.075 0.211 18210 7238 1 9 . 1 1 24 24 GLU C C 24 177.998 177.998 178.026 -0.028 18210 7239 1 9 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.178 -0.872 18210 7240 1 9 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.570 1.088 18210 7241 1 9 . 1 1 24 24 GLU H H 24 7.837 7.837 7.640 0.197 18210 7242 1 9 . 1 1 25 25 ILE HA H 25 4.173 4.173 3.919 0.254 18210 7243 1 9 . 1 1 25 25 ILE C C 25 176.641 176.641 177.295 -0.654 18210 7244 1 9 . 1 1 25 25 ILE CA C 25 62.612 62.612 63.453 -0.841 18210 7245 1 9 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.146 0.214 18210 7246 1 9 . 1 1 26 26 SER N N 26 116.293 116.293 115.919 0.374 18210 7247 1 9 . 1 1 26 26 SER HA H 26 4.663 4.663 4.226 0.437 18210 7248 1 9 . 1 1 26 26 SER C C 26 174.462 174.462 175.211 -0.749 18210 7249 1 9 . 1 1 26 26 SER CA C 26 58.392 58.392 60.618 -2.226 18210 7250 1 9 . 1 1 26 26 SER CB C 26 64.380 64.380 64.261 0.119 18210 7251 1 9 . 1 1 26 26 SER H H 26 7.813 7.813 8.055 -0.242 18210 7252 1 9 . 1 1 27 27 ASN N N 27 121.919 121.919 120.949 0.970 18210 7253 1 9 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.360 0.361 18210 7254 1 9 . 1 1 27 27 ASN C C 27 175.869 175.869 174.959 0.910 18210 7255 1 9 . 1 1 27 27 ASN CA C 27 54.010 54.010 54.083 -0.073 18210 7256 1 9 . 1 1 27 27 ASN CB C 27 38.640 38.640 37.914 0.726 18210 7257 1 9 . 1 1 27 27 ASN H H 27 8.521 8.521 8.282 0.239 18210 7258 1 9 . 1 1 28 28 LYS N N 28 121.697 121.697 122.855 -1.158 18210 7259 1 9 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.061 0.299 18210 7260 1 9 . 1 1 28 28 LYS C C 28 176.952 176.952 176.926 0.026 18210 7261 1 9 . 1 1 28 28 LYS CA C 28 56.967 56.967 57.448 -0.481 18210 7262 1 9 . 1 1 28 28 LYS CB C 28 32.730 32.730 33.014 -0.284 18210 7263 1 9 . 1 1 28 28 LYS H H 28 8.367 8.367 8.240 0.127 18210 7264 1 9 . 1 1 29 29 SER HA H 29 4.498 4.498 4.240 0.258 18210 7265 1 9 . 1 1 29 29 SER C C 29 174.741 174.741 174.442 0.299 18210 7266 1 9 . 1 1 29 29 SER CA C 29 58.557 58.557 59.951 -1.394 18210 7267 1 9 . 1 1 29 29 SER CB C 29 63.945 63.945 61.756 2.189 18210 7268 1 9 . 1 1 30 30 SER N N 30 116.470 116.470 118.505 -2.035 18210 7269 1 9 . 1 1 30 30 SER HA H 30 4.429 4.429 4.522 -0.093 18210 7270 1 9 . 1 1 30 30 SER C C 30 174.467 174.467 175.408 -0.941 18210 7271 1 9 . 1 1 30 30 SER CA C 30 58.616 58.616 58.608 0.008 18210 7272 1 9 . 1 1 30 30 SER CB C 30 63.834 63.834 64.683 -0.849 18210 7273 1 9 . 1 1 30 30 SER H H 30 8.140 8.140 8.862 -0.722 18210 7274 1 9 . 1 1 31 31 ASN N N 31 119.457 119.457 119.506 -0.049 18210 7275 1 9 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.835 -0.138 18210 7276 1 9 . 1 1 31 31 ASN C C 31 174.930 174.930 173.774 1.156 18210 7277 1 9 . 1 1 31 31 ASN CA C 31 53.583 53.583 53.558 0.025 18210 7278 1 9 . 1 1 31 31 ASN CB C 31 38.733 38.733 40.471 -1.738 18210 7279 1 9 . 1 1 31 31 ASN H H 31 8.354 8.354 8.321 0.033 18210 7280 1 9 . 1 1 32 32 ASN N N 32 118.038 118.038 117.540 0.498 18210 7281 1 9 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.804 -0.106 18210 7282 1 9 . 1 1 32 32 ASN C C 32 174.979 174.979 173.624 1.355 18210 7283 1 9 . 1 1 32 32 ASN CA C 32 53.580 53.580 53.505 0.075 18210 7284 1 9 . 1 1 32 32 ASN CB C 32 38.810 38.810 39.254 -0.444 18210 7285 1 9 . 1 1 32 32 ASN H H 32 8.218 8.218 8.104 0.114 18210 7286 1 9 . 1 1 33 33 GLN N N 33 119.603 119.603 119.662 -0.059 18210 7287 1 9 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.594 -0.241 18210 7288 1 9 . 1 1 33 33 GLN C C 33 175.735 175.735 174.999 0.736 18210 7289 1 9 . 1 1 33 33 GLN CA C 33 55.883 55.883 55.471 0.412 18210 7290 1 9 . 1 1 33 33 GLN CB C 33 29.131 29.131 28.188 0.943 18210 7291 1 9 . 1 1 33 33 GLN H H 33 8.337 8.337 8.644 -0.307 18210 7292 1 9 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.523 -0.245 18210 7293 1 9 . 1 1 34 34 GLN C C 34 175.170 175.170 174.037 1.133 18210 7294 1 9 . 1 1 34 34 GLN CA C 34 56.102 56.102 54.425 1.677 18210 7295 1 9 . 1 1 34 34 GLN CB C 34 29.870 29.870 29.798 0.072 18210 7296 1 9 . 1 1 34 34 GLN H H 34 8.087 8.087 7.664 0.423 18210 7297 1 9 . 1 1 35 35 ASP HA H 35 4.720 4.720 4.586 0.134 18210 7298 1 9 . 1 1 35 35 ASP C C 35 175.810 175.810 176.036 -0.226 18210 7299 1 9 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.568 0.724 18210 7300 1 9 . 1 1 35 35 ASP CB C 35 41.462 41.462 41.184 0.278 18210 7301 1 9 . 1 1 35 35 ASP H H 35 8.033 8.033 8.322 -0.289 18210 7302 1 9 . 1 1 36 36 ILE N N 36 122.378 122.378 123.525 -1.147 18210 7303 1 9 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.203 -0.139 18210 7304 1 9 . 1 1 36 36 ILE C C 36 173.823 173.823 174.918 -1.095 18210 7305 1 9 . 1 1 36 36 ILE CA C 36 60.506 60.506 60.103 0.403 18210 7306 1 9 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.396 0.316 18210 7307 1 9 . 1 1 36 36 ILE H H 36 8.421 8.421 8.004 0.417 18210 7308 1 9 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.768 -0.261 18210 7309 1 9 . 1 1 37 37 VAL C C 37 174.956 174.956 175.561 -0.605 18210 7310 1 9 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.781 0.754 18210 7311 1 9 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.820 -1.888 18210 7312 1 9 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.720 0.061 18210 7313 1 9 . 1 1 38 38 CYS C C 38 172.106 172.106 174.674 -2.568 18210 7314 1 9 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.239 -3.021 18210 7315 1 9 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.251 23.706 18210 7316 1 9 . 1 1 39 39 THR N N 39 123.385 123.385 123.353 0.032 18210 7317 1 9 . 1 1 39 39 THR HA H 39 4.998 4.998 4.870 0.128 18210 7318 1 9 . 1 1 39 39 THR C C 39 174.687 174.687 173.833 0.854 18210 7319 1 9 . 1 1 39 39 THR CA C 39 61.514 61.514 62.635 -1.121 18210 7320 1 9 . 1 1 39 39 THR CB C 39 69.880 69.880 69.475 0.404 18210 7321 1 9 . 1 1 39 39 THR H H 39 8.229 8.229 8.481 -0.252 18210 7322 1 9 . 1 1 40 40 VAL N N 40 125.782 125.782 122.354 3.428 18210 7323 1 9 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.591 -0.311 18210 7324 1 9 . 1 1 40 40 VAL C C 40 173.622 173.622 174.014 -0.392 18210 7325 1 9 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.664 0.743 18210 7326 1 9 . 1 1 40 40 VAL CB C 40 34.800 34.800 34.998 -0.198 18210 7327 1 9 . 1 1 40 40 VAL H H 40 8.892 8.892 7.906 0.986 18210 7328 1 9 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.586 0.319 18210 7329 1 9 . 1 1 41 41 LYS C C 41 175.624 175.624 176.102 -0.478 18210 7330 1 9 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.202 -0.954 18210 7331 1 9 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.396 -1.494 18210 7332 1 9 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.622 -0.315 18210 7333 1 9 . 1 1 42 42 ALA C C 42 175.028 175.028 175.278 -0.250 18210 7334 1 9 . 1 1 42 42 ALA CA C 42 51.544 51.544 50.920 0.624 18210 7335 1 9 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.806 0.427 18210 7336 1 9 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.774 0.005 18210 7337 1 9 . 1 1 43 43 HIS C C 43 172.767 172.767 174.792 -2.025 18210 7338 1 9 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.630 -2.029 18210 7339 1 9 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.653 -2.354 18210 7340 1 9 . 1 1 43 43 HIS H H 43 8.722 8.722 8.635 0.087 18210 7341 1 9 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.114 -0.074 18210 7342 1 9 . 1 1 44 44 ALA C C 44 178.087 178.087 177.645 0.442 18210 7343 1 9 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.563 -0.701 18210 7344 1 9 . 1 1 44 44 ALA CB C 44 19.024 19.024 19.179 -0.155 18210 7345 1 9 . 1 1 44 44 ALA H H 44 8.468 8.468 8.238 0.230 18210 7346 1 9 . 1 1 45 45 ASN N N 45 113.483 113.483 114.453 -0.970 18210 7347 1 9 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.828 -0.486 18210 7348 1 9 . 1 1 45 45 ASN C C 45 174.441 174.441 174.841 -0.400 18210 7349 1 9 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.455 1.873 18210 7350 1 9 . 1 1 45 45 ASN CB C 45 38.679 38.679 40.165 -1.486 18210 7351 1 9 . 1 1 45 45 ASN H H 45 7.356 7.356 8.123 -0.767 18210 7352 1 9 . 1 1 46 46 ASP N N 46 120.941 120.941 120.667 0.274 18210 7353 1 9 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.804 -0.213 18210 7354 1 9 . 1 1 46 46 ASP C C 46 175.724 175.724 175.793 -0.069 18210 7355 1 9 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.582 1.587 18210 7356 1 9 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.623 -0.104 18210 7357 1 9 . 1 1 46 46 ASP H H 46 7.959 7.959 8.016 -0.057 18210 7358 1 9 . 1 1 47 47 LEU N N 47 123.735 123.735 122.118 1.617 18210 7359 1 9 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.403 0.573 18210 7360 1 9 . 1 1 47 47 LEU C C 47 175.735 175.735 176.794 -1.059 18210 7361 1 9 . 1 1 47 47 LEU CA C 47 54.691 54.691 55.208 -0.517 18210 7362 1 9 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.931 0.635 18210 7363 1 9 . 1 1 47 47 LEU H H 47 8.156 8.156 8.554 -0.398 18210 7364 1 9 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.603 0.668 18210 7365 1 9 . 1 1 48 48 ILE C C 48 175.979 175.979 175.213 0.766 18210 7366 1 9 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.943 0.010 18210 7367 1 9 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.278 2.860 18210 7368 1 9 . 1 1 49 49 GLY N N 49 102.726 102.726 111.006 -8.280 18210 7369 1 9 . 1 1 49 49 GLY C C 49 169.506 169.506 171.709 -2.203 18210 7370 1 9 . 1 1 49 49 GLY CA C 49 48.190 48.190 45.953 2.237 18210 7371 1 9 . 1 1 49 49 GLY H H 49 7.900 7.900 8.415 -0.515 18210 7372 1 9 . 1 1 50 50 PHE N N 50 111.884 111.884 113.736 -1.852 18210 7373 1 9 . 1 1 50 50 PHE HA H 50 3.913 3.913 4.001 -0.088 18210 7374 1 9 . 1 1 50 50 PHE C C 50 171.823 171.823 171.824 -0.001 18210 7375 1 9 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.421 -0.694 18210 7376 1 9 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.308 0.721 18210 7377 1 9 . 1 1 50 50 PHE H H 50 8.248 8.248 7.687 0.561 18210 7378 1 9 . 1 1 51 51 LYS N N 51 117.924 117.924 119.212 -1.288 18210 7379 1 9 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.203 0.181 18210 7380 1 9 . 1 1 51 51 LYS C C 51 176.140 176.140 174.486 1.654 18210 7381 1 9 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.912 -0.491 18210 7382 1 9 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.182 0.738 18210 7383 1 9 . 1 1 51 51 LYS H H 51 7.857 7.857 7.827 0.030 18210 7384 1 9 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.134 -0.113 18210 7385 1 9 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.859 -4.668 18210 7386 1 9 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.108 11.079 18210 7387 1 9 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.407 -0.030 18210 7388 1 9 . 1 1 53 53 PRO C C 53 177.624 177.624 176.934 0.690 18210 7389 1 9 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.260 -0.690 18210 7390 1 9 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.439 -1.183 18210 7391 1 9 . 1 1 54 54 SER HA H 54 4.106 4.106 4.278 -0.172 18210 7392 1 9 . 1 1 54 54 SER C C 54 174.271 174.271 174.910 -0.639 18210 7393 1 9 . 1 1 54 54 SER CA C 54 61.221 61.221 60.476 0.745 18210 7394 1 9 . 1 1 54 54 SER CB C 54 63.243 63.243 63.298 -0.055 18210 7395 1 9 . 1 1 55 55 ASN N N 55 115.116 115.116 117.041 -1.925 18210 7396 1 9 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.868 -0.195 18210 7397 1 9 . 1 1 55 55 ASN C C 55 174.556 174.556 174.270 0.286 18210 7398 1 9 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.751 0.113 18210 7399 1 9 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.782 -1.858 18210 7400 1 9 . 1 1 55 55 ASN H H 55 8.712 8.712 8.424 0.288 18210 7401 1 9 . 1 1 56 56 TYR N N 56 120.489 120.489 118.834 1.655 18210 7402 1 9 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.702 -0.010 18210 7403 1 9 . 1 1 56 56 TYR C C 56 176.019 176.019 175.247 0.772 18210 7404 1 9 . 1 1 56 56 TYR CA C 56 57.469 57.469 57.653 -0.183 18210 7405 1 9 . 1 1 56 56 TYR CB C 56 38.698 38.698 40.831 -2.133 18210 7406 1 9 . 1 1 56 56 TYR H H 56 7.637 7.637 7.663 -0.026 18210 7407 1 9 . 1 1 57 57 SER N N 57 117.381 117.381 116.026 1.355 18210 7408 1 9 . 1 1 57 57 SER HA H 57 4.915 4.915 4.801 0.114 18210 7409 1 9 . 1 1 57 57 SER C C 57 173.649 173.649 173.333 0.316 18210 7410 1 9 . 1 1 57 57 SER CA C 57 57.586 57.586 57.589 -0.003 18210 7411 1 9 . 1 1 57 57 SER CB C 57 64.766 64.766 65.376 -0.610 18210 7412 1 9 . 1 1 57 57 SER H H 57 9.323 9.323 8.413 0.910 18210 7413 1 9 . 1 1 58 58 VAL N N 58 125.696 125.696 121.537 4.159 18210 7414 1 9 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.617 0.195 18210 7415 1 9 . 1 1 58 58 VAL C C 58 174.911 174.911 175.239 -0.328 18210 7416 1 9 . 1 1 58 58 VAL CA C 58 61.889 61.889 60.739 1.151 18210 7417 1 9 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.597 0.588 18210 7418 1 9 . 1 1 58 58 VAL H H 58 8.474 8.474 8.701 -0.227 18210 7419 1 9 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.938 -0.278 18210 7420 1 9 . 1 1 59 59 GLU CA C 59 52.599 52.599 53.359 -0.760 18210 7421 1 9 . 1 1 59 59 GLU CB C 59 32.910 32.910 32.731 0.179 18210 7422 1 9 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.625 0.075 18210 7423 1 9 . 1 1 60 60 PRO C C 60 176.708 176.708 176.361 0.347 18210 7424 1 9 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.041 -0.310 18210 7425 1 9 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.464 1.542 18210 7426 1 9 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.590 -0.227 18210 7427 1 9 . 1 1 61 61 HIS C C 61 174.320 174.320 174.669 -0.349 18210 7428 1 9 . 1 1 61 61 HIS CA C 61 58.473 58.473 58.113 0.360 18210 7429 1 9 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.148 -2.633 18210 7430 1 9 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.700 0.343 18210 7431 1 9 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.173 -1.835 18210 7432 1 9 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.598 -1.088 18210 7433 1 9 . 1 1 63 63 CYS N N 63 120.346 120.346 118.001 2.345 18210 7434 1 9 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.680 -0.457 18210 7435 1 9 . 1 1 63 63 CYS C C 63 171.976 171.976 175.516 -3.540 18210 7436 1 9 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.230 -0.726 18210 7437 1 9 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.908 13.173 18210 7438 1 9 . 1 1 63 63 CYS H H 63 6.446 6.446 8.192 -1.746 18210 7439 1 9 . 1 1 64 64 PHE N N 64 116.155 116.155 118.002 -1.847 18210 7440 1 9 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.446 -0.226 18210 7441 1 9 . 1 1 64 64 PHE C C 64 177.110 177.110 177.003 0.107 18210 7442 1 9 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.701 -0.110 18210 7443 1 9 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.799 3.350 18210 7444 1 9 . 1 1 64 64 PHE H H 64 7.697 7.697 7.574 0.123 18210 7445 1 9 . 1 1 65 65 VAL N N 65 119.794 119.794 119.785 0.009 18210 7446 1 9 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.767 0.198 18210 7447 1 9 . 1 1 65 65 VAL C C 65 176.948 176.948 176.031 0.917 18210 7448 1 9 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.729 1.234 18210 7449 1 9 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.931 -0.847 18210 7450 1 9 . 1 1 65 65 VAL H H 65 8.449 8.449 7.245 1.204 18210 7451 1 9 . 1 1 66 66 SER N N 66 113.648 113.648 111.566 2.082 18210 7452 1 9 . 1 1 66 66 SER HA H 66 5.041 5.041 4.625 0.416 18210 7453 1 9 . 1 1 66 66 SER C C 66 173.905 173.905 172.734 1.171 18210 7454 1 9 . 1 1 66 66 SER CA C 66 56.701 56.701 57.022 -0.321 18210 7455 1 9 . 1 1 66 66 SER CB C 66 65.738 65.738 64.210 1.528 18210 7456 1 9 . 1 1 66 66 SER H H 66 7.706 7.706 7.563 0.143 18210 7457 1 9 . 1 1 67 67 ALA N N 67 115.370 115.370 127.574 -12.204 18210 7458 1 9 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.404 -0.360 18210 7459 1 9 . 1 1 67 67 ALA C C 67 175.316 175.316 174.490 0.826 18210 7460 1 9 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.577 0.545 18210 7461 1 9 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.970 2.857 18210 7462 1 9 . 1 1 67 67 ALA H H 67 9.280 9.280 8.276 1.004 18210 7463 1 9 . 1 1 68 68 PHE N N 68 116.820 116.820 116.627 0.193 18210 7464 1 9 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.281 -0.282 18210 7465 1 9 . 1 1 68 68 PHE C C 68 176.533 176.533 176.381 0.152 18210 7466 1 9 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.778 0.760 18210 7467 1 9 . 1 1 68 68 PHE CB C 68 38.964 38.964 40.227 -1.263 18210 7468 1 9 . 1 1 68 68 PHE H H 68 8.520 8.520 8.520 -0.000 18210 7469 1 9 . 1 1 69 69 ASN N N 69 118.203 118.203 119.169 -0.966 18210 7470 1 9 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.962 0.080 18210 7471 1 9 . 1 1 69 69 ASN C C 69 176.820 176.820 177.390 -0.570 18210 7472 1 9 . 1 1 69 69 ASN CA C 69 51.036 51.036 51.806 -0.770 18210 7473 1 9 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.745 -0.251 18210 7474 1 9 . 1 1 69 69 ASN H H 69 8.498 8.498 8.741 -0.243 18210 7475 1 9 . 1 1 70 70 LEU N N 70 118.189 118.189 121.197 -3.008 18210 7476 1 9 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.397 -0.118 18210 7477 1 9 . 1 1 70 70 LEU C C 70 178.484 178.484 177.743 0.741 18210 7478 1 9 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.686 0.078 18210 7479 1 9 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.688 -0.050 18210 7480 1 9 . 1 1 70 70 LEU H H 70 8.514 8.514 8.924 -0.410 18210 7481 1 9 . 1 1 71 71 SER N N 71 113.939 113.939 113.306 0.633 18210 7482 1 9 . 1 1 71 71 SER HA H 71 4.572 4.572 4.491 0.081 18210 7483 1 9 . 1 1 71 71 SER C C 71 174.682 174.682 175.285 -0.603 18210 7484 1 9 . 1 1 71 71 SER CA C 71 58.758 58.758 58.303 0.454 18210 7485 1 9 . 1 1 71 71 SER CB C 71 63.762 63.762 63.375 0.387 18210 7486 1 9 . 1 1 71 71 SER H H 71 8.049 8.049 7.955 0.094 18210 7487 1 9 . 1 1 72 72 GLY N N 72 109.936 109.936 109.374 0.562 18210 7488 1 9 . 1 1 72 72 GLY C C 72 173.549 173.549 173.394 0.155 18210 7489 1 9 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.659 -0.021 18210 7490 1 9 . 1 1 72 72 GLY H H 72 8.641 8.641 8.077 0.564 18210 7491 1 9 . 1 1 73 73 LYS N N 73 119.884 119.884 118.981 0.903 18210 7492 1 9 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.546 0.007 18210 7493 1 9 . 1 1 73 73 LYS C C 73 175.750 175.750 175.651 0.099 18210 7494 1 9 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.544 0.114 18210 7495 1 9 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.896 -0.155 18210 7496 1 9 . 1 1 73 73 LYS H H 73 7.738 7.738 7.832 -0.094 18210 7497 1 9 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.429 0.091 18210 7498 1 9 . 1 1 74 74 ASN C C 74 174.680 174.680 174.992 -0.312 18210 7499 1 9 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.944 0.288 18210 7500 1 9 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.910 0.417 18210 7501 1 9 . 1 1 75 75 GLU N N 75 124.834 124.834 125.456 -0.622 18210 7502 1 9 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.500 0.098 18210 7503 1 9 . 1 1 75 75 GLU C C 75 174.547 174.547 173.959 0.588 18210 7504 1 9 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.232 -0.345 18210 7505 1 9 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.618 -0.710 18210 7506 1 9 . 1 1 75 75 GLU H H 75 8.835 8.835 8.932 -0.097 18210 7507 1 9 . 1 1 76 76 ASN N N 76 121.549 121.549 119.251 2.298 18210 7508 1 9 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.916 -0.241 18210 7509 1 9 . 1 1 76 76 ASN C C 76 175.670 175.670 175.394 0.276 18210 7510 1 9 . 1 1 76 76 ASN CA C 76 54.120 54.120 52.534 1.586 18210 7511 1 9 . 1 1 76 76 ASN CB C 76 39.042 39.042 39.785 -0.743 18210 7512 1 9 . 1 1 76 76 ASN H H 76 8.580 8.580 8.492 0.088 18210 7513 1 9 . 1 1 77 77 LEU N N 77 125.808 125.808 125.304 0.504 18210 7514 1 9 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.452 -0.345 18210 7515 1 9 . 1 1 77 77 LEU C C 77 178.104 178.104 177.320 0.784 18210 7516 1 9 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.847 1.144 18210 7517 1 9 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.684 -0.300 18210 7518 1 9 . 1 1 77 77 LEU H H 77 8.610 8.610 8.254 0.356 18210 7519 1 9 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.127 -0.111 18210 7520 1 9 . 1 1 78 78 GLU C C 78 176.833 176.833 177.573 -0.740 18210 7521 1 9 . 1 1 78 78 GLU CA C 78 59.650 59.650 59.026 0.625 18210 7522 1 9 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.743 0.941 18210 7523 1 9 . 1 1 79 79 ASN N N 79 114.719 114.719 116.515 -1.796 18210 7524 1 9 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.431 0.133 18210 7525 1 9 . 1 1 79 79 ASN C C 79 175.510 175.510 176.368 -0.858 18210 7526 1 9 . 1 1 79 79 ASN CA C 79 54.392 54.392 54.493 -0.101 18210 7527 1 9 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.721 0.996 18210 7528 1 9 . 1 1 79 79 ASN H H 79 8.257 8.257 8.298 -0.041 18210 7529 1 9 . 1 1 80 80 LYS N N 80 118.906 118.906 120.806 -1.900 18210 7530 1 9 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.101 0.192 18210 7531 1 9 . 1 1 80 80 LYS C C 80 175.748 175.748 176.941 -1.193 18210 7532 1 9 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.803 -0.038 18210 7533 1 9 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.114 1.231 18210 7534 1 9 . 1 1 80 80 LYS H H 80 7.818 7.818 7.716 0.102 18210 7535 1 9 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.320 -0.170 18210 7536 1 9 . 1 1 81 81 LEU C C 81 174.688 174.688 174.618 0.070 18210 7537 1 9 . 1 1 81 81 LEU CA C 81 54.522 54.522 54.300 0.222 18210 7538 1 9 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.179 -1.116 18210 7539 1 9 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.246 -0.077 18210 7540 1 9 . 1 1 82 82 LYS C C 82 175.701 175.701 175.647 0.054 18210 7541 1 9 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.775 0.393 18210 7542 1 9 . 1 1 82 82 LYS CB C 82 30.017 30.017 31.827 -1.810 18210 7543 1 9 . 1 1 83 83 LEU N N 83 120.762 120.762 125.449 -4.687 18210 7544 1 9 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.455 -0.035 18210 7545 1 9 . 1 1 83 83 LEU C C 83 177.184 177.184 177.406 -0.222 18210 7546 1 9 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.038 1.181 18210 7547 1 9 . 1 1 83 83 LEU CB C 83 42.311 42.311 43.236 -0.925 18210 7548 1 9 . 1 1 83 83 LEU H H 83 7.485 7.485 8.227 -0.742 18210 7549 1 9 . 1 1 84 84 THR N N 84 110.955 110.955 111.708 -0.753 18210 7550 1 9 . 1 1 84 84 THR HA H 84 4.712 4.712 4.595 0.117 18210 7551 1 9 . 1 1 84 84 THR C C 84 173.001 173.001 173.872 -0.871 18210 7552 1 9 . 1 1 84 84 THR CA C 84 59.883 59.883 60.612 -0.729 18210 7553 1 9 . 1 1 84 84 THR CB C 84 71.825 71.825 71.927 -0.103 18210 7554 1 9 . 1 1 84 84 THR H H 84 8.519 8.519 8.390 0.129 18210 7555 1 9 . 1 1 85 85 ASN N N 85 117.589 117.589 117.788 -0.199 18210 7556 1 9 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.383 -0.237 18210 7557 1 9 . 1 1 85 85 ASN C C 85 173.572 173.572 174.244 -0.672 18210 7558 1 9 . 1 1 85 85 ASN CA C 85 54.319 54.319 54.135 0.184 18210 7559 1 9 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.069 1.839 18210 7560 1 9 . 1 1 85 85 ASN H H 85 8.850 8.850 8.814 0.036 18210 7561 1 9 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.546 -0.254 18210 7562 1 9 . 1 1 86 86 ILE C C 86 177.346 177.346 176.134 1.212 18210 7563 1 9 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.486 1.321 18210 7564 1 9 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.948 -0.249 18210 7565 1 9 . 1 1 87 87 ILE N N 87 131.807 131.807 128.588 3.219 18210 7566 1 9 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.527 -0.272 18210 7567 1 9 . 1 1 87 87 ILE C C 87 174.493 174.493 174.539 -0.046 18210 7568 1 9 . 1 1 87 87 ILE CA C 87 60.152 60.152 60.358 -0.206 18210 7569 1 9 . 1 1 87 87 ILE CB C 87 41.110 41.110 40.196 0.914 18210 7570 1 9 . 1 1 87 87 ILE H H 87 9.166 9.166 9.079 0.087 18210 7571 1 9 . 1 1 88 88 MET HA H 88 4.017 4.017 4.564 -0.547 18210 7572 1 9 . 1 1 88 88 MET C C 88 173.613 173.613 174.266 -0.653 18210 7573 1 9 . 1 1 88 88 MET CA C 88 53.287 53.287 54.708 -1.421 18210 7574 1 9 . 1 1 88 88 MET CB C 88 33.478 33.478 34.334 -0.856 18210 7575 1 9 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.793 -0.096 18210 7576 1 9 . 1 1 89 89 ASP C C 89 176.750 176.750 175.871 0.879 18210 7577 1 9 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.102 -0.001 18210 7578 1 9 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.897 -1.706 18210 7579 1 9 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.342 0.099 18210 7580 1 9 . 1 1 90 90 HIS C C 90 175.625 175.625 176.186 -0.561 18210 7581 1 9 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.954 -0.700 18210 7582 1 9 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.115 -1.536 18210 7583 1 9 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.242 0.198 18210 7584 1 9 . 1 1 91 91 TYR C C 91 177.915 177.915 175.493 2.422 18210 7585 1 9 . 1 1 91 91 TYR CA C 91 60.760 60.760 60.913 -0.153 18210 7586 1 9 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.797 -0.730 18210 7587 1 9 . 1 1 92 92 ASN N N 92 113.661 113.661 114.100 -0.439 18210 7588 1 9 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.580 0.193 18210 7589 1 9 . 1 1 92 92 ASN C C 92 174.762 174.762 174.310 0.452 18210 7590 1 9 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.988 -0.373 18210 7591 1 9 . 1 1 92 92 ASN CB C 92 39.282 39.282 39.318 -0.035 18210 7592 1 9 . 1 1 92 92 ASN H H 92 7.713 7.713 7.953 -0.240 18210 7593 1 9 . 1 1 93 93 ASN N N 93 125.176 125.176 115.346 9.830 18210 7594 1 9 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.287 0.422 18210 7595 1 9 . 1 1 93 93 ASN C C 93 172.729 172.729 173.104 -0.375 18210 7596 1 9 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.508 -1.773 18210 7597 1 9 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.417 1.544 18210 7598 1 9 . 1 1 93 93 ASN H H 93 7.804 7.804 7.971 -0.167 18210 7599 1 9 . 1 1 94 94 THR N N 94 109.900 109.900 111.484 -1.584 18210 7600 1 9 . 1 1 94 94 THR HA H 94 4.852 4.852 4.956 -0.104 18210 7601 1 9 . 1 1 94 94 THR C C 94 170.824 170.824 171.658 -0.834 18210 7602 1 9 . 1 1 94 94 THR CA C 94 61.817 61.817 60.069 1.748 18210 7603 1 9 . 1 1 94 94 THR CB C 94 71.074 71.074 71.059 0.015 18210 7604 1 9 . 1 1 94 94 THR H H 94 7.654 7.654 7.340 0.314 18210 7605 1 9 . 1 1 95 95 PHE N N 95 126.721 126.721 124.229 2.492 18210 7606 1 9 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.446 -0.338 18210 7607 1 9 . 1 1 95 95 PHE C C 95 174.143 174.143 174.258 -0.115 18210 7608 1 9 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.360 0.209 18210 7609 1 9 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.696 0.097 18210 7610 1 9 . 1 1 95 95 PHE H H 95 8.166 8.166 7.791 0.375 18210 7611 1 9 . 1 1 96 96 TYR N N 96 115.709 115.709 120.160 -4.451 18210 7612 1 9 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.578 0.489 18210 7613 1 9 . 1 1 96 96 TYR C C 96 175.734 175.734 174.650 1.084 18210 7614 1 9 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.546 -0.114 18210 7615 1 9 . 1 1 96 96 TYR CB C 96 44.167 44.167 43.091 1.076 18210 7616 1 9 . 1 1 96 96 TYR H H 96 9.149 9.149 8.627 0.522 18210 7617 1 9 . 1 1 97 97 SER N N 97 109.503 109.503 114.419 -4.916 18210 7618 1 9 . 1 1 97 97 SER HA H 97 4.430 4.430 5.479 -1.049 18210 7619 1 9 . 1 1 97 97 SER C C 97 170.684 170.684 173.495 -2.811 18210 7620 1 9 . 1 1 97 97 SER CA C 97 59.324 59.324 57.045 2.279 18210 7621 1 9 . 1 1 97 97 SER CB C 97 66.341 66.341 65.872 0.469 18210 7622 1 9 . 1 1 97 97 SER H H 97 8.921 8.921 9.219 -0.298 18210 7623 1 9 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.794 0.600 18210 7624 1 9 . 1 1 98 98 ARG C C 98 175.850 175.850 175.369 0.481 18210 7625 1 9 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.266 -0.090 18210 7626 1 9 . 1 1 98 98 ARG CB C 98 33.127 33.127 33.077 0.050 18210 7627 1 9 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.675 -0.345 18210 7628 1 9 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.816 0.990 18210 7629 1 9 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.263 -1.360 18210 7630 1 9 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.404 0.272 18210 7631 1 9 . 1 1 100 100 PRO C C 100 175.744 175.744 176.911 -1.167 18210 7632 1 9 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.340 -1.050 18210 7633 1 9 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.687 0.099 18210 7634 1 9 . 1 1 101 101 SER HA H 101 4.126 4.126 4.214 -0.088 18210 7635 1 9 . 1 1 101 101 SER C C 101 173.214 173.214 174.406 -1.192 18210 7636 1 9 . 1 1 101 101 SER CA C 101 60.265 60.265 60.735 -0.470 18210 7637 1 9 . 1 1 101 101 SER CB C 101 63.660 63.660 63.368 0.291 18210 7638 1 9 . 1 1 102 102 LEU N N 102 121.389 121.389 121.331 0.058 18210 7639 1 9 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.514 0.018 18210 7640 1 9 . 1 1 102 102 LEU C C 102 175.187 175.187 175.352 -0.165 18210 7641 1 9 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.524 0.162 18210 7642 1 9 . 1 1 102 102 LEU CB C 102 44.380 44.380 43.460 0.920 18210 7643 1 9 . 1 1 102 102 LEU H H 102 7.179 7.179 7.484 -0.305 18210 7644 1 9 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.419 0.024 18210 7645 1 9 . 1 1 103 103 ILE C C 103 175.490 175.490 175.326 0.164 18210 7646 1 9 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.581 -1.671 18210 7647 1 9 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.376 0.302 18210 7648 1 9 . 1 1 104 104 SER N N 104 120.807 120.807 122.229 -1.422 18210 7649 1 9 . 1 1 104 104 SER HA H 104 4.581 4.581 4.742 -0.161 18210 7650 1 9 . 1 1 104 104 SER C C 104 173.234 173.234 173.343 -0.109 18210 7651 1 9 . 1 1 104 104 SER CA C 104 58.166 58.166 58.188 -0.022 18210 7652 1 9 . 1 1 104 104 SER CB C 104 64.341 64.341 63.425 0.916 18210 7653 1 9 . 1 1 104 104 SER H H 104 8.471 8.471 8.510 -0.039 18210 7654 1 9 . 1 1 105 105 ASP N N 105 119.103 119.103 121.880 -2.777 18210 7655 1 9 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.892 -0.243 18210 7656 1 9 . 1 1 105 105 ASP C C 105 174.991 174.991 174.947 0.044 18210 7657 1 9 . 1 1 105 105 ASP CA C 105 53.734 53.734 53.402 0.332 18210 7658 1 9 . 1 1 105 105 ASP CB C 105 42.477 42.477 44.001 -1.524 18210 7659 1 9 . 1 1 105 105 ASP H H 105 8.060 8.060 7.999 0.061 18210 7660 1 9 . 1 1 106 106 ASN N N 106 116.036 116.036 118.828 -2.792 18210 7661 1 9 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.870 -0.135 18210 7662 1 9 . 1 1 106 106 ASN C C 106 174.308 174.308 174.932 -0.624 18210 7663 1 9 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.453 1.327 18210 7664 1 9 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.969 0.053 18210 7665 1 9 . 1 1 106 106 ASN H H 106 8.389 8.389 8.456 -0.067 18210 7666 1 9 . 1 1 107 107 TRP N N 107 119.645 119.645 120.979 -1.334 18210 7667 1 9 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.827 0.002 18210 7668 1 9 . 1 1 107 107 TRP C C 107 174.949 174.949 175.357 -0.408 18210 7669 1 9 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.454 -0.262 18210 7670 1 9 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.633 2.580 18210 7671 1 9 . 1 1 107 107 TRP H H 107 7.846 7.846 8.183 -0.337 18210 7672 1 9 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.755 0.707 18210 7673 1 9 . 1 1 108 108 LYS C C 108 174.986 174.986 174.866 0.120 18210 7674 1 9 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.307 0.889 18210 7675 1 9 . 1 1 108 108 LYS CB C 108 36.215 36.215 35.991 0.224 18210 7676 1 9 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.418 0.127 18210 7677 1 9 . 1 1 109 109 PHE C C 109 172.950 172.950 172.574 0.376 18210 7678 1 9 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.203 0.217 18210 7679 1 9 . 1 1 109 109 PHE CB C 109 41.891 41.891 41.850 0.041 18210 7680 1 9 . 1 1 110 110 PHE N N 110 115.390 115.390 114.562 0.828 18210 7681 1 9 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.111 0.921 18210 7682 1 9 . 1 1 110 110 PHE C C 110 173.892 173.892 173.557 0.335 18210 7683 1 9 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.403 0.829 18210 7684 1 9 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.883 2.483 18210 7685 1 9 . 1 1 110 110 PHE H H 110 9.267 9.267 7.699 1.568 18210 7686 1 9 . 1 1 111 111 CYS N N 111 116.463 116.463 117.293 -0.830 18210 7687 1 9 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.861 0.200 18210 7688 1 9 . 1 1 111 111 CYS C C 111 171.900 171.900 173.002 -1.102 18210 7689 1 9 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.772 -3.920 18210 7690 1 9 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.228 16.602 18210 7691 1 9 . 1 1 111 111 CYS H H 111 9.274 9.274 8.724 0.550 18210 7692 1 9 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.069 0.133 18210 7693 1 9 . 1 1 112 112 VAL C C 112 175.041 175.041 174.367 0.674 18210 7694 1 9 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.653 -0.210 18210 7695 1 9 . 1 1 112 112 VAL CB C 112 36.577 36.577 35.854 0.723 18210 7696 1 9 . 1 1 112 112 VAL H H 112 9.605 9.605 8.374 1.231 18210 7697 1 9 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.615 0.145 18210 7698 1 9 . 1 1 113 113 CYS C C 113 173.601 173.601 173.746 -0.145 18210 7699 1 9 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.472 -4.651 18210 7700 1 9 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.166 14.780 18210 7701 1 9 . 1 1 114 114 SER N N 114 117.968 117.968 118.509 -0.541 18210 7702 1 9 . 1 1 114 114 SER HA H 114 5.093 5.093 5.060 0.033 18210 7703 1 9 . 1 1 114 114 SER C C 114 172.267 172.267 172.827 -0.560 18210 7704 1 9 . 1 1 114 114 SER CA C 114 56.677 56.677 57.616 -0.939 18210 7705 1 9 . 1 1 114 114 SER CB C 114 66.795 66.795 65.764 1.031 18210 7706 1 9 . 1 1 114 114 SER H H 114 9.250 9.250 9.133 0.117 18210 7707 1 9 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.574 -0.468 18210 7708 1 9 . 1 1 115 115 LYS C C 115 174.527 174.527 174.560 -0.033 18210 7709 1 9 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.317 0.605 18210 7710 1 9 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.440 -2.431 18210 7711 1 9 . 1 1 115 115 LYS H H 115 8.705 8.705 8.538 0.167 18210 7712 1 9 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.437 -0.246 18210 7713 1 9 . 1 1 116 116 ASP C C 116 176.002 176.002 176.507 -0.505 18210 7714 1 9 . 1 1 116 116 ASP CA C 116 56.314 56.314 54.622 1.692 18210 7715 1 9 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.810 -0.363 18210 7716 1 9 . 1 1 117 117 ASN N N 117 116.913 116.913 117.987 -1.074 18210 7717 1 9 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.271 0.168 18210 7718 1 9 . 1 1 117 117 ASN C C 117 174.246 174.246 173.759 0.487 18210 7719 1 9 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.138 0.295 18210 7720 1 9 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.208 -0.026 18210 7721 1 9 . 1 1 117 117 ASN H H 117 8.752 8.752 8.675 0.077 18210 7722 1 9 . 1 1 118 118 GLU N N 118 116.615 116.615 118.105 -1.490 18210 7723 1 9 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.490 0.270 18210 7724 1 9 . 1 1 118 118 GLU C C 118 177.397 177.397 175.674 1.723 18210 7725 1 9 . 1 1 118 118 GLU CA C 118 54.309 54.309 54.792 -0.483 18210 7726 1 9 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.010 -1.919 18210 7727 1 9 . 1 1 118 118 GLU H H 118 7.819 7.819 8.171 -0.352 18210 7728 1 9 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.163 0.002 18210 7729 1 9 . 1 1 119 119 LYS C C 119 177.626 177.626 175.884 1.742 18210 7730 1 9 . 1 1 119 119 LYS CA C 119 57.540 57.540 57.022 0.518 18210 7731 1 9 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.674 0.171 18210 7732 1 9 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.276 0.029 18210 7733 1 9 . 1 1 120 120 LYS C C 120 174.312 174.312 175.617 -1.305 18210 7734 1 9 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.868 1.238 18210 7735 1 9 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.711 -0.523 18210 7736 1 9 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.260 0.299 18210 7737 1 9 . 1 1 121 121 LEU C C 121 174.893 174.893 174.949 -0.056 18210 7738 1 9 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.548 -0.945 18210 7739 1 9 . 1 1 121 121 LEU CB C 121 39.606 39.606 43.187 -3.581 18210 7740 1 9 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.641 -0.280 18210 7741 1 9 . 1 1 122 122 VAL C C 122 173.909 173.909 174.367 -0.458 18210 7742 1 9 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.130 0.898 18210 7743 1 9 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.991 -0.397 18210 7744 1 9 . 1 1 123 123 PHE HA H 123 5.175 5.175 5.207 -0.032 18210 7745 1 9 . 1 1 123 123 PHE C C 123 173.230 173.230 173.354 -0.124 18210 7746 1 9 . 1 1 123 123 PHE CA C 123 56.314 56.314 55.542 0.772 18210 7747 1 9 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.452 -0.620 18210 7748 1 9 . 1 1 124 124 THR N N 124 121.688 121.688 123.682 -1.994 18210 7749 1 9 . 1 1 124 124 THR HA H 124 4.885 4.885 4.652 0.233 18210 7750 1 9 . 1 1 124 124 THR C C 124 170.874 170.874 172.256 -1.382 18210 7751 1 9 . 1 1 124 124 THR CA C 124 60.087 60.087 59.819 0.268 18210 7752 1 9 . 1 1 124 124 THR CB C 124 70.942 70.942 71.027 -0.085 18210 7753 1 9 . 1 1 124 124 THR H H 124 8.493 8.493 7.988 0.505 18210 7754 1 9 . 1 1 125 125 VAL N N 125 125.781 125.781 119.974 5.807 18210 7755 1 9 . 1 1 125 125 VAL HA H 125 4.516 4.516 4.961 -0.445 18210 7756 1 9 . 1 1 125 125 VAL C C 125 173.796 173.796 172.735 1.061 18210 7757 1 9 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.421 1.371 18210 7758 1 9 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.516 -2.282 18210 7759 1 9 . 1 1 125 125 VAL H H 125 8.275 8.275 7.742 0.533 18210 7760 1 9 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.864 0.025 18210 7761 1 9 . 1 1 126 126 GLU C C 126 173.519 173.519 174.211 -0.692 18210 7762 1 9 . 1 1 126 126 GLU CA C 126 53.966 53.966 53.915 0.051 18210 7763 1 9 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.930 -0.968 18210 7764 1 9 . 1 1 126 126 GLU H H 126 8.262 8.262 7.877 0.385 18210 7765 1 10 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.282 -0.113 18210 7766 1 10 . 1 1 2 2 LYS C C 2 176.160 176.160 176.206 -0.046 18210 7767 1 10 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.890 0.075 18210 7768 1 10 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.316 -0.051 18210 7769 1 10 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.155 -0.242 18210 7770 1 10 . 1 1 3 3 VAL C C 3 175.820 175.820 175.898 -0.078 18210 7771 1 10 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.711 0.777 18210 7772 1 10 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.536 0.244 18210 7773 1 10 . 1 1 4 4 LYS N N 4 129.029 129.029 126.730 2.299 18210 7774 1 10 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.600 -0.093 18210 7775 1 10 . 1 1 4 4 LYS C C 4 174.923 174.923 176.762 -1.839 18210 7776 1 10 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.013 1.290 18210 7777 1 10 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.043 0.208 18210 7778 1 10 . 1 1 4 4 LYS H H 4 8.507 8.507 8.288 0.219 18210 7779 1 10 . 1 1 5 5 GLY N N 5 110.242 110.242 109.734 0.508 18210 7780 1 10 . 1 1 5 5 GLY C C 5 173.333 173.333 171.652 1.681 18210 7781 1 10 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.459 0.805 18210 7782 1 10 . 1 1 5 5 GLY H H 5 8.138 8.138 8.271 -0.133 18210 7783 1 10 . 1 1 6 6 CYS N N 6 114.306 114.306 120.132 -5.826 18210 7784 1 10 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.070 0.181 18210 7785 1 10 . 1 1 6 6 CYS C C 6 170.891 170.891 173.064 -2.173 18210 7786 1 10 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.284 -2.434 18210 7787 1 10 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.059 22.091 18210 7788 1 10 . 1 1 6 6 CYS H H 6 6.750 6.750 8.226 -1.476 18210 7789 1 10 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.059 -0.311 18210 7790 1 10 . 1 1 7 7 ASP C C 7 175.607 175.607 175.554 0.053 18210 7791 1 10 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.338 -0.100 18210 7792 1 10 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.031 -0.414 18210 7793 1 10 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.455 0.422 18210 7794 1 10 . 1 1 8 8 PHE C C 8 173.972 173.972 176.005 -2.033 18210 7795 1 10 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.968 0.487 18210 7796 1 10 . 1 1 8 8 PHE CB C 8 39.219 39.219 39.057 0.162 18210 7797 1 10 . 1 1 9 9 THR N N 9 105.421 105.421 113.174 -7.753 18210 7798 1 10 . 1 1 9 9 THR HA H 9 4.611 4.611 4.461 0.150 18210 7799 1 10 . 1 1 9 9 THR C C 9 174.505 174.505 174.281 0.224 18210 7800 1 10 . 1 1 9 9 THR CA C 9 61.988 61.988 63.065 -1.077 18210 7801 1 10 . 1 1 9 9 THR CB C 9 70.385 70.385 69.914 0.471 18210 7802 1 10 . 1 1 9 9 THR H H 9 8.996 8.996 8.610 0.386 18210 7803 1 10 . 1 1 10 10 THR N N 10 118.757 118.757 115.724 3.033 18210 7804 1 10 . 1 1 10 10 THR HA H 10 4.526 4.526 4.662 -0.136 18210 7805 1 10 . 1 1 10 10 THR C C 10 171.202 171.202 173.888 -2.686 18210 7806 1 10 . 1 1 10 10 THR CA C 10 60.774 60.774 61.692 -0.918 18210 7807 1 10 . 1 1 10 10 THR CB C 10 68.040 68.040 71.746 -3.706 18210 7808 1 10 . 1 1 10 10 THR H H 10 7.199 7.199 7.479 -0.280 18210 7809 1 10 . 1 1 11 11 SER N N 11 117.117 117.117 118.479 -1.362 18210 7810 1 10 . 1 1 11 11 SER HA H 11 3.907 3.907 4.245 -0.338 18210 7811 1 10 . 1 1 11 11 SER C C 11 174.988 174.988 174.874 0.114 18210 7812 1 10 . 1 1 11 11 SER CA C 11 59.563 59.563 60.445 -0.882 18210 7813 1 10 . 1 1 11 11 SER CB C 11 63.599 63.599 63.670 -0.071 18210 7814 1 10 . 1 1 11 11 SER H H 11 7.997 7.997 8.743 -0.746 18210 7815 1 10 . 1 1 12 12 GLU N N 12 125.013 125.013 120.023 4.990 18210 7816 1 10 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.523 0.042 18210 7817 1 10 . 1 1 12 12 GLU C C 12 175.108 175.108 175.415 -0.307 18210 7818 1 10 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.125 -0.866 18210 7819 1 10 . 1 1 12 12 GLU CB C 12 28.928 28.928 29.006 -0.078 18210 7820 1 10 . 1 1 12 12 GLU H H 12 8.375 8.375 8.252 0.123 18210 7821 1 10 . 1 1 13 13 SER N N 13 114.959 114.959 116.329 -1.370 18210 7822 1 10 . 1 1 13 13 SER HA H 13 4.130 4.130 4.507 -0.377 18210 7823 1 10 . 1 1 13 13 SER C C 13 176.833 176.833 175.132 1.701 18210 7824 1 10 . 1 1 13 13 SER CA C 13 58.707 58.707 58.913 -0.206 18210 7825 1 10 . 1 1 13 13 SER CB C 13 63.598 63.598 64.215 -0.617 18210 7826 1 10 . 1 1 13 13 SER H H 13 7.879 7.879 8.165 -0.286 18210 7827 1 10 . 1 1 14 14 THR N N 14 117.688 117.688 115.183 2.505 18210 7828 1 10 . 1 1 14 14 THR HA H 14 4.348 4.348 4.472 -0.124 18210 7829 1 10 . 1 1 14 14 THR C C 14 174.550 174.550 175.329 -0.779 18210 7830 1 10 . 1 1 14 14 THR CA C 14 62.435 62.435 62.809 -0.374 18210 7831 1 10 . 1 1 14 14 THR CB C 14 69.114 69.114 68.834 0.280 18210 7832 1 10 . 1 1 14 14 THR H H 14 8.978 8.978 8.758 0.220 18210 7833 1 10 . 1 1 15 15 ILE N N 15 118.851 118.851 114.178 4.673 18210 7834 1 10 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.299 -0.261 18210 7835 1 10 . 1 1 15 15 ILE C C 15 175.389 175.389 173.741 1.648 18210 7836 1 10 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.888 1.812 18210 7837 1 10 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.350 2.097 18210 7838 1 10 . 1 1 15 15 ILE H H 15 7.947 7.947 7.815 0.132 18210 7839 1 10 . 1 1 16 16 PHE N N 16 116.409 116.409 119.121 -2.712 18210 7840 1 10 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.625 -0.107 18210 7841 1 10 . 1 1 16 16 PHE C C 16 176.700 176.700 176.290 0.410 18210 7842 1 10 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.130 1.332 18210 7843 1 10 . 1 1 16 16 PHE CB C 16 42.712 42.712 42.053 0.659 18210 7844 1 10 . 1 1 16 16 PHE H H 16 7.792 7.792 7.617 0.175 18210 7845 1 10 . 1 1 17 17 SER N N 17 114.126 114.126 116.345 -2.219 18210 7846 1 10 . 1 1 17 17 SER HA H 17 3.984 3.984 4.389 -0.405 18210 7847 1 10 . 1 1 17 17 SER C C 17 174.203 174.203 175.133 -0.930 18210 7848 1 10 . 1 1 17 17 SER CA C 17 61.176 61.176 60.195 0.981 18210 7849 1 10 . 1 1 17 17 SER CB C 17 63.438 63.438 63.822 -0.384 18210 7850 1 10 . 1 1 17 17 SER H H 17 8.666 8.666 8.590 0.076 18210 7851 1 10 . 1 1 18 18 LYS N N 18 122.828 122.828 122.541 0.287 18210 7852 1 10 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.598 0.160 18210 7853 1 10 . 1 1 18 18 LYS C C 18 174.029 174.029 175.260 -1.231 18210 7854 1 10 . 1 1 18 18 LYS CA C 18 55.661 55.661 54.929 0.732 18210 7855 1 10 . 1 1 18 18 LYS CB C 18 35.049 35.049 34.442 0.607 18210 7856 1 10 . 1 1 18 18 LYS H H 18 8.031 8.031 7.377 0.654 18210 7857 1 10 . 1 1 19 19 GLY N N 19 112.051 112.051 109.380 2.671 18210 7858 1 10 . 1 1 19 19 GLY C C 19 172.307 172.307 172.798 -0.491 18210 7859 1 10 . 1 1 19 19 GLY CA C 19 44.946 44.946 44.482 0.464 18210 7860 1 10 . 1 1 19 19 GLY H H 19 8.092 8.092 8.218 -0.126 18210 7861 1 10 . 1 1 20 20 TYR N N 20 120.060 120.060 120.762 -0.702 18210 7862 1 10 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.633 -0.063 18210 7863 1 10 . 1 1 20 20 TYR C C 20 173.557 173.557 174.495 -0.938 18210 7864 1 10 . 1 1 20 20 TYR CA C 20 57.512 57.512 56.946 0.566 18210 7865 1 10 . 1 1 20 20 TYR CB C 20 43.091 43.091 41.550 1.541 18210 7866 1 10 . 1 1 20 20 TYR H H 20 7.968 7.968 8.372 -0.404 18210 7867 1 10 . 1 1 21 21 SER N N 21 115.201 115.201 116.057 -0.856 18210 7868 1 10 . 1 1 21 21 SER HA H 21 4.562 4.562 4.694 -0.132 18210 7869 1 10 . 1 1 21 21 SER C C 21 176.172 176.172 176.316 -0.144 18210 7870 1 10 . 1 1 21 21 SER CA C 21 56.537 56.537 56.208 0.329 18210 7871 1 10 . 1 1 21 21 SER CB C 21 65.257 65.257 64.919 0.338 18210 7872 1 10 . 1 1 21 21 SER H H 21 8.761 8.761 8.471 0.290 18210 7873 1 10 . 1 1 22 22 ILE N N 22 122.867 122.867 120.936 1.931 18210 7874 1 10 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.766 0.393 18210 7875 1 10 . 1 1 22 22 ILE C C 22 177.561 177.561 177.028 0.533 18210 7876 1 10 . 1 1 22 22 ILE CA C 22 62.713 62.713 64.121 -1.408 18210 7877 1 10 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.652 0.203 18210 7878 1 10 . 1 1 22 22 ILE H H 22 8.646 8.646 8.765 -0.119 18210 7879 1 10 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.462 0.083 18210 7880 1 10 . 1 1 23 23 ASN C C 23 176.647 176.647 177.564 -0.917 18210 7881 1 10 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.784 -0.278 18210 7882 1 10 . 1 1 23 23 ASN CB C 23 38.453 38.453 37.960 0.493 18210 7883 1 10 . 1 1 24 24 GLU N N 24 118.601 118.601 119.078 -0.477 18210 7884 1 10 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.091 0.195 18210 7885 1 10 . 1 1 24 24 GLU C C 24 177.998 177.998 179.643 -1.645 18210 7886 1 10 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.283 -0.977 18210 7887 1 10 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.209 1.449 18210 7888 1 10 . 1 1 24 24 GLU H H 24 7.837 7.837 7.697 0.140 18210 7889 1 10 . 1 1 25 25 ILE HA H 25 4.173 4.173 3.936 0.237 18210 7890 1 10 . 1 1 25 25 ILE C C 25 176.641 176.641 176.425 0.216 18210 7891 1 10 . 1 1 25 25 ILE CA C 25 62.612 62.612 64.338 -1.726 18210 7892 1 10 . 1 1 25 25 ILE CB C 25 38.360 38.360 37.777 0.583 18210 7893 1 10 . 1 1 26 26 SER N N 26 116.293 116.293 113.261 3.032 18210 7894 1 10 . 1 1 26 26 SER HA H 26 4.663 4.663 4.311 0.352 18210 7895 1 10 . 1 1 26 26 SER C C 26 174.462 174.462 176.155 -1.693 18210 7896 1 10 . 1 1 26 26 SER CA C 26 58.392 58.392 59.392 -1.000 18210 7897 1 10 . 1 1 26 26 SER CB C 26 64.380 64.380 63.249 1.131 18210 7898 1 10 . 1 1 26 26 SER H H 26 7.813 7.813 7.344 0.469 18210 7899 1 10 . 1 1 27 27 ASN N N 27 121.919 121.919 122.704 -0.785 18210 7900 1 10 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.627 0.094 18210 7901 1 10 . 1 1 27 27 ASN C C 27 175.869 175.869 175.402 0.467 18210 7902 1 10 . 1 1 27 27 ASN CA C 27 54.010 54.010 52.362 1.648 18210 7903 1 10 . 1 1 27 27 ASN CB C 27 38.640 38.640 37.388 1.252 18210 7904 1 10 . 1 1 27 27 ASN H H 27 8.521 8.521 8.137 0.384 18210 7905 1 10 . 1 1 28 28 LYS N N 28 121.697 121.697 119.972 1.725 18210 7906 1 10 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.341 0.019 18210 7907 1 10 . 1 1 28 28 LYS C C 28 176.952 176.952 176.260 0.692 18210 7908 1 10 . 1 1 28 28 LYS CA C 28 56.967 56.967 56.537 0.430 18210 7909 1 10 . 1 1 28 28 LYS CB C 28 32.730 32.730 30.585 2.145 18210 7910 1 10 . 1 1 28 28 LYS H H 28 8.367 8.367 8.617 -0.250 18210 7911 1 10 . 1 1 29 29 SER HA H 29 4.498 4.498 4.407 0.091 18210 7912 1 10 . 1 1 29 29 SER C C 29 174.741 174.741 175.257 -0.516 18210 7913 1 10 . 1 1 29 29 SER CA C 29 58.557 58.557 60.200 -1.643 18210 7914 1 10 . 1 1 29 29 SER CB C 29 63.945 63.945 63.748 0.196 18210 7915 1 10 . 1 1 30 30 SER N N 30 116.470 116.470 117.527 -1.057 18210 7916 1 10 . 1 1 30 30 SER HA H 30 4.429 4.429 4.373 0.056 18210 7917 1 10 . 1 1 30 30 SER C C 30 174.467 174.467 174.810 -0.343 18210 7918 1 10 . 1 1 30 30 SER CA C 30 58.616 58.616 58.948 -0.332 18210 7919 1 10 . 1 1 30 30 SER CB C 30 63.834 63.834 63.707 0.127 18210 7920 1 10 . 1 1 30 30 SER H H 30 8.140 8.140 8.392 -0.252 18210 7921 1 10 . 1 1 31 31 ASN N N 31 119.457 119.457 118.564 0.893 18210 7922 1 10 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.501 0.196 18210 7923 1 10 . 1 1 31 31 ASN C C 31 174.930 174.930 175.227 -0.297 18210 7924 1 10 . 1 1 31 31 ASN CA C 31 53.583 53.583 55.011 -1.428 18210 7925 1 10 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.263 0.470 18210 7926 1 10 . 1 1 31 31 ASN H H 31 8.354 8.354 8.541 -0.187 18210 7927 1 10 . 1 1 32 32 ASN N N 32 118.038 118.038 118.995 -0.957 18210 7928 1 10 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.525 0.173 18210 7929 1 10 . 1 1 32 32 ASN C C 32 174.979 174.979 175.615 -0.636 18210 7930 1 10 . 1 1 32 32 ASN CA C 32 53.580 53.580 53.425 0.155 18210 7931 1 10 . 1 1 32 32 ASN CB C 32 38.810 38.810 36.272 2.538 18210 7932 1 10 . 1 1 32 32 ASN H H 32 8.218 8.218 8.573 -0.355 18210 7933 1 10 . 1 1 33 33 GLN N N 33 119.603 119.603 122.025 -2.422 18210 7934 1 10 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.112 0.241 18210 7935 1 10 . 1 1 33 33 GLN C C 33 175.735 175.735 177.442 -1.707 18210 7936 1 10 . 1 1 33 33 GLN CA C 33 55.883 55.883 57.041 -1.158 18210 7937 1 10 . 1 1 33 33 GLN CB C 33 29.131 29.131 28.241 0.890 18210 7938 1 10 . 1 1 33 33 GLN H H 33 8.337 8.337 8.546 -0.209 18210 7939 1 10 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.204 0.074 18210 7940 1 10 . 1 1 34 34 GLN C C 34 175.170 175.170 174.412 0.758 18210 7941 1 10 . 1 1 34 34 GLN CA C 34 56.102 56.102 56.010 0.092 18210 7942 1 10 . 1 1 34 34 GLN CB C 34 29.870 29.870 27.582 2.288 18210 7943 1 10 . 1 1 34 34 GLN H H 34 8.087 8.087 8.508 -0.421 18210 7944 1 10 . 1 1 35 35 ASP HA H 35 4.720 4.720 4.892 -0.172 18210 7945 1 10 . 1 1 35 35 ASP C C 35 175.810 175.810 174.771 1.039 18210 7946 1 10 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.137 1.155 18210 7947 1 10 . 1 1 35 35 ASP CB C 35 41.462 41.462 41.966 -0.504 18210 7948 1 10 . 1 1 35 35 ASP H H 35 8.033 8.033 7.373 0.660 18210 7949 1 10 . 1 1 36 36 ILE N N 36 122.378 122.378 125.639 -3.261 18210 7950 1 10 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.330 -0.266 18210 7951 1 10 . 1 1 36 36 ILE C C 36 173.823 173.823 174.384 -0.561 18210 7952 1 10 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.008 1.498 18210 7953 1 10 . 1 1 36 36 ILE CB C 36 37.712 37.712 38.938 -1.226 18210 7954 1 10 . 1 1 36 36 ILE H H 36 8.421 8.421 8.245 0.176 18210 7955 1 10 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.806 -0.299 18210 7956 1 10 . 1 1 37 37 VAL C C 37 174.956 174.956 175.542 -0.586 18210 7957 1 10 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.761 0.773 18210 7958 1 10 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.812 -1.880 18210 7959 1 10 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.833 -0.052 18210 7960 1 10 . 1 1 38 38 CYS C C 38 172.106 172.106 174.591 -2.485 18210 7961 1 10 . 1 1 38 38 CYS CA C 38 55.218 55.218 57.889 -2.671 18210 7962 1 10 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.227 23.730 18210 7963 1 10 . 1 1 39 39 THR N N 39 123.385 123.385 122.784 0.601 18210 7964 1 10 . 1 1 39 39 THR HA H 39 4.998 4.998 5.017 -0.019 18210 7965 1 10 . 1 1 39 39 THR C C 39 174.687 174.687 174.037 0.650 18210 7966 1 10 . 1 1 39 39 THR CA C 39 61.514 61.514 62.312 -0.798 18210 7967 1 10 . 1 1 39 39 THR CB C 39 69.880 69.880 69.528 0.353 18210 7968 1 10 . 1 1 39 39 THR H H 39 8.229 8.229 8.514 -0.285 18210 7969 1 10 . 1 1 40 40 VAL N N 40 125.782 125.782 122.479 3.303 18210 7970 1 10 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.588 -0.308 18210 7971 1 10 . 1 1 40 40 VAL C C 40 173.622 173.622 174.133 -0.511 18210 7972 1 10 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.758 0.649 18210 7973 1 10 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.312 -0.512 18210 7974 1 10 . 1 1 40 40 VAL H H 40 8.892 8.892 8.086 0.806 18210 7975 1 10 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.727 0.178 18210 7976 1 10 . 1 1 41 41 LYS C C 41 175.624 175.624 176.062 -0.438 18210 7977 1 10 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.050 -0.803 18210 7978 1 10 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.642 -1.740 18210 7979 1 10 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.620 -0.312 18210 7980 1 10 . 1 1 42 42 ALA C C 42 175.028 175.028 175.488 -0.460 18210 7981 1 10 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.181 0.363 18210 7982 1 10 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.422 0.812 18210 7983 1 10 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.792 -0.013 18210 7984 1 10 . 1 1 43 43 HIS C C 43 172.767 172.767 175.216 -2.449 18210 7985 1 10 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.419 -1.818 18210 7986 1 10 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.520 -2.221 18210 7987 1 10 . 1 1 43 43 HIS H H 43 8.722 8.722 8.549 0.173 18210 7988 1 10 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.174 -0.134 18210 7989 1 10 . 1 1 44 44 ALA C C 44 178.087 178.087 177.897 0.190 18210 7990 1 10 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.310 -0.449 18210 7991 1 10 . 1 1 44 44 ALA CB C 44 19.024 19.024 18.924 0.100 18210 7992 1 10 . 1 1 44 44 ALA H H 44 8.468 8.468 8.149 0.319 18210 7993 1 10 . 1 1 45 45 ASN N N 45 113.483 113.483 113.755 -0.272 18210 7994 1 10 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.818 -0.476 18210 7995 1 10 . 1 1 45 45 ASN C C 45 174.441 174.441 174.465 -0.024 18210 7996 1 10 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.212 2.115 18210 7997 1 10 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.496 -0.817 18210 7998 1 10 . 1 1 45 45 ASN H H 45 7.356 7.356 8.680 -1.324 18210 7999 1 10 . 1 1 46 46 ASP N N 46 120.941 120.941 120.348 0.593 18210 8000 1 10 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.747 -0.156 18210 8001 1 10 . 1 1 46 46 ASP C C 46 175.724 175.724 175.986 -0.262 18210 8002 1 10 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.648 1.521 18210 8003 1 10 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.244 0.275 18210 8004 1 10 . 1 1 46 46 ASP H H 46 7.959 7.959 8.274 -0.315 18210 8005 1 10 . 1 1 47 47 LEU N N 47 123.735 123.735 121.641 2.094 18210 8006 1 10 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.414 0.562 18210 8007 1 10 . 1 1 47 47 LEU C C 47 175.735 175.735 176.854 -1.119 18210 8008 1 10 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.861 -0.170 18210 8009 1 10 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.684 0.882 18210 8010 1 10 . 1 1 47 47 LEU H H 47 8.156 8.156 8.531 -0.375 18210 8011 1 10 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.620 0.651 18210 8012 1 10 . 1 1 48 48 ILE C C 48 175.979 175.979 175.517 0.462 18210 8013 1 10 . 1 1 48 48 ILE CA C 48 58.953 58.953 59.060 -0.107 18210 8014 1 10 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.210 2.928 18210 8015 1 10 . 1 1 49 49 GLY N N 49 102.726 102.726 111.005 -8.279 18210 8016 1 10 . 1 1 49 49 GLY C C 49 169.506 169.506 171.779 -2.273 18210 8017 1 10 . 1 1 49 49 GLY CA C 49 48.190 48.190 45.951 2.239 18210 8018 1 10 . 1 1 49 49 GLY H H 49 7.900 7.900 8.505 -0.605 18210 8019 1 10 . 1 1 50 50 PHE N N 50 111.884 111.884 113.457 -1.573 18210 8020 1 10 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.751 0.162 18210 8021 1 10 . 1 1 50 50 PHE C C 50 171.823 171.823 171.842 -0.019 18210 8022 1 10 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.683 -0.956 18210 8023 1 10 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.069 0.960 18210 8024 1 10 . 1 1 50 50 PHE H H 50 8.248 8.248 7.785 0.463 18210 8025 1 10 . 1 1 51 51 LYS N N 51 117.924 117.924 119.316 -1.392 18210 8026 1 10 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.217 0.167 18210 8027 1 10 . 1 1 51 51 LYS C C 51 176.140 176.140 174.487 1.653 18210 8028 1 10 . 1 1 51 51 LYS CA C 51 54.421 54.421 55.011 -0.590 18210 8029 1 10 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.210 0.710 18210 8030 1 10 . 1 1 51 51 LYS H H 51 7.857 7.857 7.876 -0.019 18210 8031 1 10 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.106 -0.085 18210 8032 1 10 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.821 -4.630 18210 8033 1 10 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.211 10.976 18210 8034 1 10 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.407 -0.030 18210 8035 1 10 . 1 1 53 53 PRO C C 53 177.624 177.624 177.367 0.257 18210 8036 1 10 . 1 1 53 53 PRO CA C 53 62.570 62.570 62.913 -0.343 18210 8037 1 10 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.409 -1.153 18210 8038 1 10 . 1 1 54 54 SER HA H 54 4.106 4.106 4.249 -0.143 18210 8039 1 10 . 1 1 54 54 SER C C 54 174.271 174.271 174.842 -0.571 18210 8040 1 10 . 1 1 54 54 SER CA C 54 61.221 61.221 60.105 1.116 18210 8041 1 10 . 1 1 54 54 SER CB C 54 63.243 63.243 62.946 0.298 18210 8042 1 10 . 1 1 55 55 ASN N N 55 115.116 115.116 116.902 -1.786 18210 8043 1 10 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.753 -0.080 18210 8044 1 10 . 1 1 55 55 ASN C C 55 174.556 174.556 174.725 -0.169 18210 8045 1 10 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.473 0.391 18210 8046 1 10 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.729 -1.805 18210 8047 1 10 . 1 1 55 55 ASN H H 55 8.712 8.712 8.386 0.326 18210 8048 1 10 . 1 1 56 56 TYR N N 56 120.489 120.489 119.587 0.902 18210 8049 1 10 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.658 0.034 18210 8050 1 10 . 1 1 56 56 TYR C C 56 176.019 176.019 174.940 1.079 18210 8051 1 10 . 1 1 56 56 TYR CA C 56 57.469 57.469 57.624 -0.155 18210 8052 1 10 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.387 -2.689 18210 8053 1 10 . 1 1 56 56 TYR H H 56 7.637 7.637 7.764 -0.127 18210 8054 1 10 . 1 1 57 57 SER N N 57 117.381 117.381 115.709 1.672 18210 8055 1 10 . 1 1 57 57 SER HA H 57 4.915 4.915 4.819 0.096 18210 8056 1 10 . 1 1 57 57 SER C C 57 173.649 173.649 173.808 -0.159 18210 8057 1 10 . 1 1 57 57 SER CA C 57 57.586 57.586 57.060 0.525 18210 8058 1 10 . 1 1 57 57 SER CB C 57 64.766 64.766 64.368 0.398 18210 8059 1 10 . 1 1 57 57 SER H H 57 9.323 9.323 8.412 0.911 18210 8060 1 10 . 1 1 58 58 VAL N N 58 125.696 125.696 122.792 2.904 18210 8061 1 10 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.565 0.247 18210 8062 1 10 . 1 1 58 58 VAL C C 58 174.911 174.911 175.149 -0.238 18210 8063 1 10 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.364 0.525 18210 8064 1 10 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.909 0.276 18210 8065 1 10 . 1 1 58 58 VAL H H 58 8.474 8.474 8.731 -0.257 18210 8066 1 10 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.952 -0.292 18210 8067 1 10 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.703 -0.104 18210 8068 1 10 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.192 -0.282 18210 8069 1 10 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.689 0.011 18210 8070 1 10 . 1 1 60 60 PRO C C 60 176.708 176.708 176.589 0.119 18210 8071 1 10 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.031 -0.300 18210 8072 1 10 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.242 1.764 18210 8073 1 10 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.554 -0.191 18210 8074 1 10 . 1 1 61 61 HIS C C 61 174.320 174.320 174.730 -0.410 18210 8075 1 10 . 1 1 61 61 HIS CA C 61 58.473 58.473 58.174 0.299 18210 8076 1 10 . 1 1 61 61 HIS CB C 61 28.515 28.515 30.866 -2.351 18210 8077 1 10 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.709 0.334 18210 8078 1 10 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.252 -1.914 18210 8079 1 10 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.441 -0.931 18210 8080 1 10 . 1 1 63 63 CYS N N 63 120.346 120.346 118.002 2.344 18210 8081 1 10 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.654 -0.431 18210 8082 1 10 . 1 1 63 63 CYS C C 63 171.976 171.976 175.479 -3.503 18210 8083 1 10 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.292 -0.788 18210 8084 1 10 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.820 13.261 18210 8085 1 10 . 1 1 63 63 CYS H H 63 6.446 6.446 8.219 -1.773 18210 8086 1 10 . 1 1 64 64 PHE N N 64 116.155 116.155 118.054 -1.899 18210 8087 1 10 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.458 -0.238 18210 8088 1 10 . 1 1 64 64 PHE C C 64 177.110 177.110 176.934 0.176 18210 8089 1 10 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.713 -0.122 18210 8090 1 10 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.757 3.392 18210 8091 1 10 . 1 1 64 64 PHE H H 64 7.697 7.697 7.465 0.232 18210 8092 1 10 . 1 1 65 65 VAL N N 65 119.794 119.794 121.035 -1.241 18210 8093 1 10 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.722 0.243 18210 8094 1 10 . 1 1 65 65 VAL C C 65 176.948 176.948 175.797 1.151 18210 8095 1 10 . 1 1 65 65 VAL CA C 65 66.963 66.963 66.249 0.714 18210 8096 1 10 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.814 -0.730 18210 8097 1 10 . 1 1 65 65 VAL H H 65 8.449 8.449 7.287 1.162 18210 8098 1 10 . 1 1 66 66 SER N N 66 113.648 113.648 110.489 3.159 18210 8099 1 10 . 1 1 66 66 SER HA H 66 5.041 5.041 4.598 0.443 18210 8100 1 10 . 1 1 66 66 SER C C 66 173.905 173.905 172.550 1.355 18210 8101 1 10 . 1 1 66 66 SER CA C 66 56.701 56.701 57.190 -0.489 18210 8102 1 10 . 1 1 66 66 SER CB C 66 65.738 65.738 64.145 1.593 18210 8103 1 10 . 1 1 66 66 SER H H 66 7.706 7.706 7.646 0.060 18210 8104 1 10 . 1 1 67 67 ALA N N 67 115.370 115.370 126.861 -11.491 18210 8105 1 10 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.242 -0.198 18210 8106 1 10 . 1 1 67 67 ALA C C 67 175.316 175.316 174.513 0.803 18210 8107 1 10 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.618 0.504 18210 8108 1 10 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.606 3.221 18210 8109 1 10 . 1 1 67 67 ALA H H 67 9.280 9.280 7.567 1.713 18210 8110 1 10 . 1 1 68 68 PHE N N 68 116.820 116.820 117.324 -0.504 18210 8111 1 10 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.183 -0.184 18210 8112 1 10 . 1 1 68 68 PHE C C 68 176.533 176.533 176.511 0.022 18210 8113 1 10 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.873 0.664 18210 8114 1 10 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.548 -0.584 18210 8115 1 10 . 1 1 68 68 PHE H H 68 8.520 8.520 8.429 0.091 18210 8116 1 10 . 1 1 69 69 ASN N N 69 118.203 118.203 121.079 -2.876 18210 8117 1 10 . 1 1 69 69 ASN HA H 69 5.042 5.042 5.095 -0.053 18210 8118 1 10 . 1 1 69 69 ASN C C 69 176.820 176.820 177.432 -0.612 18210 8119 1 10 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.375 -1.339 18210 8120 1 10 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.413 0.081 18210 8121 1 10 . 1 1 69 69 ASN H H 69 8.498 8.498 8.933 -0.435 18210 8122 1 10 . 1 1 70 70 LEU N N 70 118.189 118.189 121.043 -2.854 18210 8123 1 10 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.392 -0.113 18210 8124 1 10 . 1 1 70 70 LEU C C 70 178.484 178.484 177.905 0.579 18210 8125 1 10 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.904 -0.140 18210 8126 1 10 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.872 -0.234 18210 8127 1 10 . 1 1 70 70 LEU H H 70 8.514 8.514 8.948 -0.434 18210 8128 1 10 . 1 1 71 71 SER N N 71 113.939 113.939 113.217 0.722 18210 8129 1 10 . 1 1 71 71 SER HA H 71 4.572 4.572 4.494 0.078 18210 8130 1 10 . 1 1 71 71 SER C C 71 174.682 174.682 175.069 -0.387 18210 8131 1 10 . 1 1 71 71 SER CA C 71 58.758 58.758 58.608 0.150 18210 8132 1 10 . 1 1 71 71 SER CB C 71 63.762 63.762 63.362 0.400 18210 8133 1 10 . 1 1 71 71 SER H H 71 8.049 8.049 7.947 0.102 18210 8134 1 10 . 1 1 72 72 GLY N N 72 109.936 109.936 108.531 1.405 18210 8135 1 10 . 1 1 72 72 GLY C C 72 173.549 173.549 173.479 0.070 18210 8136 1 10 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.486 0.152 18210 8137 1 10 . 1 1 72 72 GLY H H 72 8.641 8.641 7.957 0.684 18210 8138 1 10 . 1 1 73 73 LYS N N 73 119.884 119.884 119.066 0.818 18210 8139 1 10 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.498 0.055 18210 8140 1 10 . 1 1 73 73 LYS C C 73 175.750 175.750 175.526 0.224 18210 8141 1 10 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.387 0.271 18210 8142 1 10 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.435 0.306 18210 8143 1 10 . 1 1 73 73 LYS H H 73 7.738 7.738 7.861 -0.123 18210 8144 1 10 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.964 -0.444 18210 8145 1 10 . 1 1 74 74 ASN C C 74 174.680 174.680 174.869 -0.189 18210 8146 1 10 . 1 1 74 74 ASN CA C 74 54.232 54.232 52.856 1.376 18210 8147 1 10 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.522 0.805 18210 8148 1 10 . 1 1 75 75 GLU N N 75 124.834 124.834 125.776 -0.942 18210 8149 1 10 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.416 0.182 18210 8150 1 10 . 1 1 75 75 GLU C C 75 174.547 174.547 175.567 -1.020 18210 8151 1 10 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.223 -0.336 18210 8152 1 10 . 1 1 75 75 GLU CB C 75 32.908 32.908 34.138 -1.230 18210 8153 1 10 . 1 1 75 75 GLU H H 75 8.835 8.835 8.160 0.675 18210 8154 1 10 . 1 1 76 76 ASN N N 76 121.549 121.549 120.897 0.652 18210 8155 1 10 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.843 -0.168 18210 8156 1 10 . 1 1 76 76 ASN C C 76 175.670 175.670 176.077 -0.407 18210 8157 1 10 . 1 1 76 76 ASN CA C 76 54.120 54.120 53.707 0.413 18210 8158 1 10 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.846 0.196 18210 8159 1 10 . 1 1 76 76 ASN H H 76 8.580 8.580 8.708 -0.128 18210 8160 1 10 . 1 1 77 77 LEU N N 77 125.808 125.808 122.812 2.996 18210 8161 1 10 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.539 -0.432 18210 8162 1 10 . 1 1 77 77 LEU C C 77 178.104 178.104 177.145 0.959 18210 8163 1 10 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.016 1.975 18210 8164 1 10 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.207 0.177 18210 8165 1 10 . 1 1 77 77 LEU H H 77 8.610 8.610 8.478 0.132 18210 8166 1 10 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.239 -0.223 18210 8167 1 10 . 1 1 78 78 GLU C C 78 176.833 176.833 177.276 -0.443 18210 8168 1 10 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.519 1.131 18210 8169 1 10 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.461 1.223 18210 8170 1 10 . 1 1 79 79 ASN N N 79 114.719 114.719 116.935 -2.216 18210 8171 1 10 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.493 0.071 18210 8172 1 10 . 1 1 79 79 ASN C C 79 175.510 175.510 176.185 -0.675 18210 8173 1 10 . 1 1 79 79 ASN CA C 79 54.392 54.392 54.805 -0.413 18210 8174 1 10 . 1 1 79 79 ASN CB C 79 38.718 38.718 38.137 0.581 18210 8175 1 10 . 1 1 79 79 ASN H H 79 8.257 8.257 8.441 -0.184 18210 8176 1 10 . 1 1 80 80 LYS N N 80 118.906 118.906 119.753 -0.847 18210 8177 1 10 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.133 0.160 18210 8178 1 10 . 1 1 80 80 LYS C C 80 175.748 175.748 177.002 -1.254 18210 8179 1 10 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.397 0.368 18210 8180 1 10 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.120 1.225 18210 8181 1 10 . 1 1 80 80 LYS H H 80 7.818 7.818 8.029 -0.211 18210 8182 1 10 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.349 -0.199 18210 8183 1 10 . 1 1 81 81 LEU C C 81 174.688 174.688 174.676 0.012 18210 8184 1 10 . 1 1 81 81 LEU CA C 81 54.522 54.522 54.322 0.200 18210 8185 1 10 . 1 1 81 81 LEU CB C 81 43.063 43.063 43.849 -0.786 18210 8186 1 10 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.357 -0.188 18210 8187 1 10 . 1 1 82 82 LYS C C 82 175.701 175.701 175.794 -0.093 18210 8188 1 10 . 1 1 82 82 LYS CA C 82 56.168 56.168 56.282 -0.114 18210 8189 1 10 . 1 1 82 82 LYS CB C 82 30.017 30.017 31.818 -1.801 18210 8190 1 10 . 1 1 83 83 LEU N N 83 120.762 120.762 124.495 -3.733 18210 8191 1 10 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.419 0.001 18210 8192 1 10 . 1 1 83 83 LEU C C 83 177.184 177.184 177.609 -0.425 18210 8193 1 10 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.321 0.898 18210 8194 1 10 . 1 1 83 83 LEU CB C 83 42.311 42.311 43.136 -0.825 18210 8195 1 10 . 1 1 83 83 LEU H H 83 7.485 7.485 8.048 -0.563 18210 8196 1 10 . 1 1 84 84 THR N N 84 110.955 110.955 112.890 -1.935 18210 8197 1 10 . 1 1 84 84 THR HA H 84 4.712 4.712 4.485 0.227 18210 8198 1 10 . 1 1 84 84 THR C C 84 173.001 173.001 173.730 -0.729 18210 8199 1 10 . 1 1 84 84 THR CA C 84 59.883 59.883 60.477 -0.594 18210 8200 1 10 . 1 1 84 84 THR CB C 84 71.825 71.825 72.228 -0.403 18210 8201 1 10 . 1 1 84 84 THR H H 84 8.519 8.519 8.311 0.208 18210 8202 1 10 . 1 1 85 85 ASN N N 85 117.589 117.589 117.540 0.049 18210 8203 1 10 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.354 -0.208 18210 8204 1 10 . 1 1 85 85 ASN C C 85 173.572 173.572 173.997 -0.425 18210 8205 1 10 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.995 0.324 18210 8206 1 10 . 1 1 85 85 ASN CB C 85 38.908 38.908 36.979 1.929 18210 8207 1 10 . 1 1 85 85 ASN H H 85 8.850 8.850 8.819 0.031 18210 8208 1 10 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.415 -0.123 18210 8209 1 10 . 1 1 86 86 ILE C C 86 177.346 177.346 176.005 1.341 18210 8210 1 10 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.558 1.249 18210 8211 1 10 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.831 -0.132 18210 8212 1 10 . 1 1 87 87 ILE N N 87 131.807 131.807 128.892 2.915 18210 8213 1 10 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.519 -0.264 18210 8214 1 10 . 1 1 87 87 ILE C C 87 174.493 174.493 174.350 0.143 18210 8215 1 10 . 1 1 87 87 ILE CA C 87 60.152 60.152 60.034 0.118 18210 8216 1 10 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.701 1.409 18210 8217 1 10 . 1 1 87 87 ILE H H 87 9.166 9.166 8.870 0.296 18210 8218 1 10 . 1 1 88 88 MET HA H 88 4.017 4.017 4.507 -0.490 18210 8219 1 10 . 1 1 88 88 MET C C 88 173.613 173.613 174.394 -0.781 18210 8220 1 10 . 1 1 88 88 MET CA C 88 53.287 53.287 54.797 -1.510 18210 8221 1 10 . 1 1 88 88 MET CB C 88 33.478 33.478 34.601 -1.123 18210 8222 1 10 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.852 -0.155 18210 8223 1 10 . 1 1 89 89 ASP C C 89 176.750 176.750 175.984 0.766 18210 8224 1 10 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.806 -0.705 18210 8225 1 10 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.202 -1.011 18210 8226 1 10 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.331 0.110 18210 8227 1 10 . 1 1 90 90 HIS C C 90 175.625 175.625 175.721 -0.096 18210 8228 1 10 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.968 -0.714 18210 8229 1 10 . 1 1 90 90 HIS CB C 90 28.579 28.579 29.961 -1.382 18210 8230 1 10 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.243 0.197 18210 8231 1 10 . 1 1 91 91 TYR C C 91 177.915 177.915 175.833 2.082 18210 8232 1 10 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.153 -0.393 18210 8233 1 10 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.607 -0.540 18210 8234 1 10 . 1 1 92 92 ASN N N 92 113.661 113.661 113.595 0.066 18210 8235 1 10 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.530 0.243 18210 8236 1 10 . 1 1 92 92 ASN C C 92 174.762 174.762 174.658 0.104 18210 8237 1 10 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.831 -0.216 18210 8238 1 10 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.290 0.992 18210 8239 1 10 . 1 1 92 92 ASN H H 92 7.713 7.713 8.425 -0.712 18210 8240 1 10 . 1 1 93 93 ASN N N 93 125.176 125.176 113.780 11.396 18210 8241 1 10 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.340 0.369 18210 8242 1 10 . 1 1 93 93 ASN C C 93 172.729 172.729 173.213 -0.484 18210 8243 1 10 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.479 -1.744 18210 8244 1 10 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.873 1.088 18210 8245 1 10 . 1 1 93 93 ASN H H 93 7.804 7.804 7.814 -0.010 18210 8246 1 10 . 1 1 94 94 THR N N 94 109.900 109.900 112.130 -2.230 18210 8247 1 10 . 1 1 94 94 THR HA H 94 4.852 4.852 4.953 -0.101 18210 8248 1 10 . 1 1 94 94 THR C C 94 170.824 170.824 171.766 -0.942 18210 8249 1 10 . 1 1 94 94 THR CA C 94 61.817 61.817 60.483 1.334 18210 8250 1 10 . 1 1 94 94 THR CB C 94 71.074 71.074 71.055 0.019 18210 8251 1 10 . 1 1 94 94 THR H H 94 7.654 7.654 7.323 0.331 18210 8252 1 10 . 1 1 95 95 PHE N N 95 126.721 126.721 124.956 1.765 18210 8253 1 10 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.176 -0.068 18210 8254 1 10 . 1 1 95 95 PHE C C 95 174.143 174.143 174.129 0.014 18210 8255 1 10 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.722 -0.153 18210 8256 1 10 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.614 0.179 18210 8257 1 10 . 1 1 95 95 PHE H H 95 8.166 8.166 7.600 0.566 18210 8258 1 10 . 1 1 96 96 TYR N N 96 115.709 115.709 120.141 -4.432 18210 8259 1 10 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.650 0.417 18210 8260 1 10 . 1 1 96 96 TYR C C 96 175.734 175.734 174.706 1.028 18210 8261 1 10 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.631 -0.199 18210 8262 1 10 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.921 1.246 18210 8263 1 10 . 1 1 96 96 TYR H H 96 9.149 9.149 8.796 0.353 18210 8264 1 10 . 1 1 97 97 SER N N 97 109.503 109.503 114.555 -5.052 18210 8265 1 10 . 1 1 97 97 SER HA H 97 4.430 4.430 5.100 -0.670 18210 8266 1 10 . 1 1 97 97 SER C C 97 170.684 170.684 172.945 -2.261 18210 8267 1 10 . 1 1 97 97 SER CA C 97 59.324 59.324 57.232 2.092 18210 8268 1 10 . 1 1 97 97 SER CB C 97 66.341 66.341 65.420 0.921 18210 8269 1 10 . 1 1 97 97 SER H H 97 8.921 8.921 9.413 -0.492 18210 8270 1 10 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.815 0.579 18210 8271 1 10 . 1 1 98 98 ARG C C 98 175.850 175.850 175.598 0.252 18210 8272 1 10 . 1 1 98 98 ARG CA C 98 54.176 54.176 53.976 0.200 18210 8273 1 10 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.414 0.713 18210 8274 1 10 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.700 -0.370 18210 8275 1 10 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.756 1.050 18210 8276 1 10 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.298 -1.395 18210 8277 1 10 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.380 0.296 18210 8278 1 10 . 1 1 100 100 PRO C C 100 175.744 175.744 177.130 -1.386 18210 8279 1 10 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.039 -0.750 18210 8280 1 10 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.742 0.044 18210 8281 1 10 . 1 1 101 101 SER HA H 101 4.126 4.126 4.213 -0.087 18210 8282 1 10 . 1 1 101 101 SER C C 101 173.214 173.214 174.126 -0.912 18210 8283 1 10 . 1 1 101 101 SER CA C 101 60.265 60.265 59.813 0.452 18210 8284 1 10 . 1 1 101 101 SER CB C 101 63.660 63.660 63.376 0.284 18210 8285 1 10 . 1 1 102 102 LEU N N 102 121.389 121.389 121.439 -0.050 18210 8286 1 10 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.529 0.003 18210 8287 1 10 . 1 1 102 102 LEU C C 102 175.187 175.187 175.119 0.068 18210 8288 1 10 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.430 0.256 18210 8289 1 10 . 1 1 102 102 LEU CB C 102 44.380 44.380 43.885 0.495 18210 8290 1 10 . 1 1 102 102 LEU H H 102 7.179 7.179 7.418 -0.239 18210 8291 1 10 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.486 -0.043 18210 8292 1 10 . 1 1 103 103 ILE C C 103 175.490 175.490 175.373 0.117 18210 8293 1 10 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.685 -1.776 18210 8294 1 10 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.983 -0.305 18210 8295 1 10 . 1 1 104 104 SER N N 104 120.807 120.807 119.166 1.641 18210 8296 1 10 . 1 1 104 104 SER HA H 104 4.581 4.581 4.670 -0.089 18210 8297 1 10 . 1 1 104 104 SER C C 104 173.234 173.234 173.285 -0.051 18210 8298 1 10 . 1 1 104 104 SER CA C 104 58.166 58.166 57.335 0.831 18210 8299 1 10 . 1 1 104 104 SER CB C 104 64.341 64.341 64.181 0.160 18210 8300 1 10 . 1 1 104 104 SER H H 104 8.471 8.471 8.567 -0.096 18210 8301 1 10 . 1 1 105 105 ASP N N 105 119.103 119.103 120.932 -1.829 18210 8302 1 10 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.842 -0.193 18210 8303 1 10 . 1 1 105 105 ASP C C 105 174.991 174.991 175.376 -0.385 18210 8304 1 10 . 1 1 105 105 ASP CA C 105 53.734 53.734 53.152 0.582 18210 8305 1 10 . 1 1 105 105 ASP CB C 105 42.477 42.477 41.719 0.758 18210 8306 1 10 . 1 1 105 105 ASP H H 105 8.060 8.060 8.040 0.020 18210 8307 1 10 . 1 1 106 106 ASN N N 106 116.036 116.036 117.859 -1.823 18210 8308 1 10 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.724 0.011 18210 8309 1 10 . 1 1 106 106 ASN C C 106 174.308 174.308 175.363 -1.055 18210 8310 1 10 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.658 1.122 18210 8311 1 10 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.605 0.417 18210 8312 1 10 . 1 1 106 106 ASN H H 106 8.389 8.389 8.484 -0.095 18210 8313 1 10 . 1 1 107 107 TRP N N 107 119.645 119.645 121.669 -2.024 18210 8314 1 10 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.812 0.017 18210 8315 1 10 . 1 1 107 107 TRP C C 107 174.949 174.949 175.634 -0.685 18210 8316 1 10 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.889 -0.697 18210 8317 1 10 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.695 2.518 18210 8318 1 10 . 1 1 107 107 TRP H H 107 7.846 7.846 8.247 -0.401 18210 8319 1 10 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.677 0.785 18210 8320 1 10 . 1 1 108 108 LYS C C 108 174.986 174.986 174.610 0.376 18210 8321 1 10 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.337 0.859 18210 8322 1 10 . 1 1 108 108 LYS CB C 108 36.215 36.215 36.129 0.086 18210 8323 1 10 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.320 0.225 18210 8324 1 10 . 1 1 109 109 PHE C C 109 172.950 172.950 172.522 0.428 18210 8325 1 10 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.500 -0.080 18210 8326 1 10 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.068 -0.177 18210 8327 1 10 . 1 1 110 110 PHE N N 110 115.390 115.390 114.584 0.806 18210 8328 1 10 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.147 0.885 18210 8329 1 10 . 1 1 110 110 PHE C C 110 173.892 173.892 173.640 0.252 18210 8330 1 10 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.349 0.883 18210 8331 1 10 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.908 2.458 18210 8332 1 10 . 1 1 110 110 PHE H H 110 9.267 9.267 7.668 1.599 18210 8333 1 10 . 1 1 111 111 CYS N N 111 116.463 116.463 117.290 -0.827 18210 8334 1 10 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.908 0.153 18210 8335 1 10 . 1 1 111 111 CYS C C 111 171.900 171.900 173.022 -1.122 18210 8336 1 10 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.510 -3.658 18210 8337 1 10 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.491 16.339 18210 8338 1 10 . 1 1 111 111 CYS H H 111 9.274 9.274 8.741 0.533 18210 8339 1 10 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.192 0.010 18210 8340 1 10 . 1 1 112 112 VAL C C 112 175.041 175.041 174.426 0.615 18210 8341 1 10 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.320 0.123 18210 8342 1 10 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.177 0.400 18210 8343 1 10 . 1 1 112 112 VAL H H 112 9.605 9.605 8.296 1.309 18210 8344 1 10 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.501 0.259 18210 8345 1 10 . 1 1 113 113 CYS C C 113 173.601 173.601 174.055 -0.454 18210 8346 1 10 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.517 -4.696 18210 8347 1 10 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.550 14.396 18210 8348 1 10 . 1 1 114 114 SER N N 114 117.968 117.968 118.172 -0.204 18210 8349 1 10 . 1 1 114 114 SER HA H 114 5.093 5.093 5.043 0.050 18210 8350 1 10 . 1 1 114 114 SER C C 114 172.267 172.267 172.723 -0.456 18210 8351 1 10 . 1 1 114 114 SER CA C 114 56.677 56.677 58.032 -1.355 18210 8352 1 10 . 1 1 114 114 SER CB C 114 66.795 66.795 65.599 1.196 18210 8353 1 10 . 1 1 114 114 SER H H 114 9.250 9.250 9.227 0.023 18210 8354 1 10 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.416 -0.310 18210 8355 1 10 . 1 1 115 115 LYS C C 115 174.527 174.527 174.257 0.270 18210 8356 1 10 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.640 0.282 18210 8357 1 10 . 1 1 115 115 LYS CB C 115 34.009 34.009 35.880 -1.871 18210 8358 1 10 . 1 1 115 115 LYS H H 115 8.705 8.705 8.500 0.205 18210 8359 1 10 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.523 -0.332 18210 8360 1 10 . 1 1 116 116 ASP C C 116 176.002 176.002 176.698 -0.696 18210 8361 1 10 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.364 0.950 18210 8362 1 10 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.966 -0.519 18210 8363 1 10 . 1 1 117 117 ASN N N 117 116.913 116.913 119.183 -2.270 18210 8364 1 10 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.196 0.243 18210 8365 1 10 . 1 1 117 117 ASN C C 117 174.246 174.246 173.576 0.670 18210 8366 1 10 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.594 -0.161 18210 8367 1 10 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.067 0.115 18210 8368 1 10 . 1 1 117 117 ASN H H 117 8.752 8.752 8.592 0.160 18210 8369 1 10 . 1 1 118 118 GLU N N 118 116.615 116.615 117.859 -1.244 18210 8370 1 10 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.473 0.287 18210 8371 1 10 . 1 1 118 118 GLU C C 118 177.397 177.397 175.854 1.543 18210 8372 1 10 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.368 -1.059 18210 8373 1 10 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.258 -2.167 18210 8374 1 10 . 1 1 118 118 GLU H H 118 7.819 7.819 8.182 -0.363 18210 8375 1 10 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.146 0.019 18210 8376 1 10 . 1 1 119 119 LYS C C 119 177.626 177.626 176.550 1.076 18210 8377 1 10 . 1 1 119 119 LYS CA C 119 57.540 57.540 57.232 0.308 18210 8378 1 10 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.820 0.025 18210 8379 1 10 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.564 -0.259 18210 8380 1 10 . 1 1 120 120 LYS C C 120 174.312 174.312 175.565 -1.253 18210 8381 1 10 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.512 1.594 18210 8382 1 10 . 1 1 120 120 LYS CB C 120 33.188 33.188 34.233 -1.045 18210 8383 1 10 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.394 0.165 18210 8384 1 10 . 1 1 121 121 LEU C C 121 174.893 174.893 175.272 -0.379 18210 8385 1 10 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.544 -0.940 18210 8386 1 10 . 1 1 121 121 LEU CB C 121 39.606 39.606 43.213 -3.607 18210 8387 1 10 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.605 -0.244 18210 8388 1 10 . 1 1 122 122 VAL C C 122 173.909 173.909 174.278 -0.369 18210 8389 1 10 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.033 0.995 18210 8390 1 10 . 1 1 122 122 VAL CB C 122 33.594 33.594 34.438 -0.844 18210 8391 1 10 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.846 0.329 18210 8392 1 10 . 1 1 123 123 PHE C C 123 173.230 173.230 172.954 0.276 18210 8393 1 10 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.026 0.288 18210 8394 1 10 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.418 -0.586 18210 8395 1 10 . 1 1 124 124 THR N N 124 121.688 121.688 123.481 -1.793 18210 8396 1 10 . 1 1 124 124 THR HA H 124 4.885 4.885 4.634 0.251 18210 8397 1 10 . 1 1 124 124 THR C C 124 170.874 170.874 172.187 -1.313 18210 8398 1 10 . 1 1 124 124 THR CA C 124 60.087 60.087 59.627 0.460 18210 8399 1 10 . 1 1 124 124 THR CB C 124 70.942 70.942 71.173 -0.231 18210 8400 1 10 . 1 1 124 124 THR H H 124 8.493 8.493 8.270 0.223 18210 8401 1 10 . 1 1 125 125 VAL N N 125 125.781 125.781 121.544 4.237 18210 8402 1 10 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.091 -0.575 18210 8403 1 10 . 1 1 125 125 VAL C C 125 173.796 173.796 173.242 0.554 18210 8404 1 10 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.435 1.357 18210 8405 1 10 . 1 1 125 125 VAL CB C 125 33.234 33.234 34.730 -1.496 18210 8406 1 10 . 1 1 125 125 VAL H H 125 8.275 8.275 7.797 0.478 18210 8407 1 10 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.697 0.192 18210 8408 1 10 . 1 1 126 126 GLU C C 126 173.519 173.519 174.706 -1.187 18210 8409 1 10 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.641 -0.675 18210 8410 1 10 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.972 -1.010 18210 8411 1 10 . 1 1 126 126 GLU H H 126 8.262 8.262 7.879 0.383 18210 8412 1 11 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.340 -0.171 18210 8413 1 11 . 1 1 2 2 LYS C C 2 176.160 176.160 175.951 0.209 18210 8414 1 11 . 1 1 2 2 LYS CA C 2 55.965 55.965 56.204 -0.239 18210 8415 1 11 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.429 -0.164 18210 8416 1 11 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.167 -0.254 18210 8417 1 11 . 1 1 3 3 VAL C C 3 175.820 175.820 175.496 0.324 18210 8418 1 11 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.904 0.584 18210 8419 1 11 . 1 1 3 3 VAL CB C 3 32.780 32.780 33.209 -0.429 18210 8420 1 11 . 1 1 4 4 LYS N N 4 129.029 129.029 127.578 1.451 18210 8421 1 11 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.474 0.033 18210 8422 1 11 . 1 1 4 4 LYS C C 4 174.923 174.923 175.888 -0.965 18210 8423 1 11 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.464 0.839 18210 8424 1 11 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.085 0.166 18210 8425 1 11 . 1 1 4 4 LYS H H 4 8.507 8.507 8.390 0.117 18210 8426 1 11 . 1 1 5 5 GLY N N 5 110.242 110.242 109.956 0.286 18210 8427 1 11 . 1 1 5 5 GLY C C 5 173.333 173.333 171.830 1.503 18210 8428 1 11 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.404 0.860 18210 8429 1 11 . 1 1 5 5 GLY H H 5 8.138 8.138 8.123 0.015 18210 8430 1 11 . 1 1 6 6 CYS N N 6 114.306 114.306 120.131 -5.825 18210 8431 1 11 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.173 0.078 18210 8432 1 11 . 1 1 6 6 CYS C C 6 170.891 170.891 173.217 -2.326 18210 8433 1 11 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.234 -2.384 18210 8434 1 11 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.328 21.822 18210 8435 1 11 . 1 1 6 6 CYS H H 6 6.750 6.750 8.388 -1.638 18210 8436 1 11 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.103 -0.355 18210 8437 1 11 . 1 1 7 7 ASP C C 7 175.607 175.607 175.685 -0.078 18210 8438 1 11 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.240 -0.002 18210 8439 1 11 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.031 -0.414 18210 8440 1 11 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.545 0.332 18210 8441 1 11 . 1 1 8 8 PHE C C 8 173.972 173.972 175.830 -1.858 18210 8442 1 11 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.865 0.590 18210 8443 1 11 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.920 0.299 18210 8444 1 11 . 1 1 9 9 THR N N 9 105.421 105.421 112.477 -7.056 18210 8445 1 11 . 1 1 9 9 THR HA H 9 4.611 4.611 4.489 0.122 18210 8446 1 11 . 1 1 9 9 THR C C 9 174.505 174.505 174.528 -0.023 18210 8447 1 11 . 1 1 9 9 THR CA C 9 61.988 61.988 62.695 -0.707 18210 8448 1 11 . 1 1 9 9 THR CB C 9 70.385 70.385 70.049 0.336 18210 8449 1 11 . 1 1 9 9 THR H H 9 8.996 8.996 8.840 0.156 18210 8450 1 11 . 1 1 10 10 THR N N 10 118.757 118.757 115.212 3.545 18210 8451 1 11 . 1 1 10 10 THR HA H 10 4.526 4.526 4.534 -0.008 18210 8452 1 11 . 1 1 10 10 THR C C 10 171.202 171.202 174.008 -2.806 18210 8453 1 11 . 1 1 10 10 THR CA C 10 60.774 60.774 61.701 -0.927 18210 8454 1 11 . 1 1 10 10 THR CB C 10 68.040 68.040 71.937 -3.897 18210 8455 1 11 . 1 1 10 10 THR H H 10 7.199 7.199 7.721 -0.522 18210 8456 1 11 . 1 1 11 11 SER N N 11 117.117 117.117 119.114 -1.997 18210 8457 1 11 . 1 1 11 11 SER HA H 11 3.907 3.907 4.275 -0.368 18210 8458 1 11 . 1 1 11 11 SER C C 11 174.988 174.988 174.713 0.275 18210 8459 1 11 . 1 1 11 11 SER CA C 11 59.563 59.563 60.352 -0.789 18210 8460 1 11 . 1 1 11 11 SER CB C 11 63.599 63.599 63.600 -0.001 18210 8461 1 11 . 1 1 11 11 SER H H 11 7.997 7.997 8.772 -0.775 18210 8462 1 11 . 1 1 12 12 GLU N N 12 125.013 125.013 121.411 3.602 18210 8463 1 11 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.441 0.124 18210 8464 1 11 . 1 1 12 12 GLU C C 12 175.108 175.108 174.919 0.189 18210 8465 1 11 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.383 -1.124 18210 8466 1 11 . 1 1 12 12 GLU CB C 12 28.928 28.928 30.620 -1.692 18210 8467 1 11 . 1 1 12 12 GLU H H 12 8.375 8.375 8.166 0.209 18210 8468 1 11 . 1 1 13 13 SER N N 13 114.959 114.959 120.721 -5.762 18210 8469 1 11 . 1 1 13 13 SER HA H 13 4.130 4.130 4.765 -0.635 18210 8470 1 11 . 1 1 13 13 SER C C 13 176.833 176.833 174.684 2.149 18210 8471 1 11 . 1 1 13 13 SER CA C 13 58.707 58.707 57.406 1.301 18210 8472 1 11 . 1 1 13 13 SER CB C 13 63.598 63.598 63.909 -0.311 18210 8473 1 11 . 1 1 13 13 SER H H 13 7.879 7.879 8.655 -0.776 18210 8474 1 11 . 1 1 14 14 THR N N 14 117.688 117.688 119.267 -1.579 18210 8475 1 11 . 1 1 14 14 THR HA H 14 4.348 4.348 4.263 0.085 18210 8476 1 11 . 1 1 14 14 THR C C 14 174.550 174.550 174.995 -0.445 18210 8477 1 11 . 1 1 14 14 THR CA C 14 62.435 62.435 63.915 -1.480 18210 8478 1 11 . 1 1 14 14 THR CB C 14 69.114 69.114 68.974 0.140 18210 8479 1 11 . 1 1 14 14 THR H H 14 8.978 8.978 8.826 0.152 18210 8480 1 11 . 1 1 15 15 ILE N N 15 118.851 118.851 111.251 7.600 18210 8481 1 11 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.220 -0.182 18210 8482 1 11 . 1 1 15 15 ILE C C 15 175.389 175.389 173.988 1.401 18210 8483 1 11 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.934 1.766 18210 8484 1 11 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.205 2.242 18210 8485 1 11 . 1 1 15 15 ILE H H 15 7.947 7.947 7.666 0.281 18210 8486 1 11 . 1 1 16 16 PHE N N 16 116.409 116.409 118.712 -2.303 18210 8487 1 11 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.585 -0.067 18210 8488 1 11 . 1 1 16 16 PHE C C 16 176.700 176.700 175.783 0.917 18210 8489 1 11 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.687 0.775 18210 8490 1 11 . 1 1 16 16 PHE CB C 16 42.712 42.712 42.383 0.329 18210 8491 1 11 . 1 1 16 16 PHE H H 16 7.792 7.792 7.463 0.329 18210 8492 1 11 . 1 1 17 17 SER N N 17 114.126 114.126 116.376 -2.250 18210 8493 1 11 . 1 1 17 17 SER HA H 17 3.984 3.984 4.407 -0.423 18210 8494 1 11 . 1 1 17 17 SER C C 17 174.203 174.203 174.310 -0.107 18210 8495 1 11 . 1 1 17 17 SER CA C 17 61.176 61.176 60.721 0.455 18210 8496 1 11 . 1 1 17 17 SER CB C 17 63.438 63.438 64.085 -0.647 18210 8497 1 11 . 1 1 17 17 SER H H 17 8.666 8.666 8.758 -0.092 18210 8498 1 11 . 1 1 18 18 LYS N N 18 122.828 122.828 121.371 1.457 18210 8499 1 11 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.484 0.274 18210 8500 1 11 . 1 1 18 18 LYS C C 18 174.029 174.029 174.787 -0.758 18210 8501 1 11 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.198 0.463 18210 8502 1 11 . 1 1 18 18 LYS CB C 18 35.049 35.049 34.653 0.396 18210 8503 1 11 . 1 1 18 18 LYS H H 18 8.031 8.031 7.483 0.548 18210 8504 1 11 . 1 1 19 19 GLY N N 19 112.051 112.051 111.402 0.649 18210 8505 1 11 . 1 1 19 19 GLY C C 19 172.307 172.307 172.593 -0.286 18210 8506 1 11 . 1 1 19 19 GLY CA C 19 44.946 44.946 45.046 -0.100 18210 8507 1 11 . 1 1 19 19 GLY H H 19 8.092 8.092 7.913 0.179 18210 8508 1 11 . 1 1 20 20 TYR N N 20 120.060 120.060 119.553 0.507 18210 8509 1 11 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.696 -0.126 18210 8510 1 11 . 1 1 20 20 TYR C C 20 173.557 173.557 174.822 -1.265 18210 8511 1 11 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.252 0.261 18210 8512 1 11 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.468 0.623 18210 8513 1 11 . 1 1 20 20 TYR H H 20 7.968 7.968 8.632 -0.664 18210 8514 1 11 . 1 1 21 21 SER N N 21 115.201 115.201 116.042 -0.841 18210 8515 1 11 . 1 1 21 21 SER HA H 21 4.562 4.562 4.749 -0.187 18210 8516 1 11 . 1 1 21 21 SER C C 21 176.172 176.172 176.234 -0.062 18210 8517 1 11 . 1 1 21 21 SER CA C 21 56.537 56.537 55.639 0.898 18210 8518 1 11 . 1 1 21 21 SER CB C 21 65.257 65.257 64.727 0.530 18210 8519 1 11 . 1 1 21 21 SER H H 21 8.761 8.761 8.515 0.246 18210 8520 1 11 . 1 1 22 22 ILE N N 22 122.867 122.867 122.639 0.228 18210 8521 1 11 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.829 0.330 18210 8522 1 11 . 1 1 22 22 ILE C C 22 177.561 177.561 176.981 0.580 18210 8523 1 11 . 1 1 22 22 ILE CA C 22 62.713 62.713 64.149 -1.436 18210 8524 1 11 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.785 0.070 18210 8525 1 11 . 1 1 22 22 ILE H H 22 8.646 8.646 8.716 -0.070 18210 8526 1 11 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.488 0.057 18210 8527 1 11 . 1 1 23 23 ASN C C 23 176.647 176.647 177.421 -0.774 18210 8528 1 11 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.943 -0.437 18210 8529 1 11 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.265 0.188 18210 8530 1 11 . 1 1 24 24 GLU N N 24 118.601 118.601 119.174 -0.573 18210 8531 1 11 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.055 0.231 18210 8532 1 11 . 1 1 24 24 GLU C C 24 177.998 177.998 178.284 -0.286 18210 8533 1 11 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.453 -1.147 18210 8534 1 11 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.713 0.945 18210 8535 1 11 . 1 1 24 24 GLU H H 24 7.837 7.837 7.567 0.270 18210 8536 1 11 . 1 1 25 25 ILE HA H 25 4.173 4.173 3.851 0.322 18210 8537 1 11 . 1 1 25 25 ILE C C 25 176.641 176.641 177.510 -0.869 18210 8538 1 11 . 1 1 25 25 ILE CA C 25 62.612 62.612 63.971 -1.359 18210 8539 1 11 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.180 0.180 18210 8540 1 11 . 1 1 26 26 SER N N 26 116.293 116.293 114.757 1.536 18210 8541 1 11 . 1 1 26 26 SER HA H 26 4.663 4.663 4.197 0.466 18210 8542 1 11 . 1 1 26 26 SER C C 26 174.462 174.462 176.212 -1.750 18210 8543 1 11 . 1 1 26 26 SER CA C 26 58.392 58.392 60.085 -1.693 18210 8544 1 11 . 1 1 26 26 SER CB C 26 64.380 64.380 63.584 0.796 18210 8545 1 11 . 1 1 26 26 SER H H 26 7.813 7.813 7.861 -0.048 18210 8546 1 11 . 1 1 27 27 ASN N N 27 121.919 121.919 123.099 -1.180 18210 8547 1 11 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.495 0.226 18210 8548 1 11 . 1 1 27 27 ASN C C 27 175.869 175.869 174.626 1.243 18210 8549 1 11 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.078 0.932 18210 8550 1 11 . 1 1 27 27 ASN CB C 27 38.640 38.640 37.301 1.339 18210 8551 1 11 . 1 1 27 27 ASN H H 27 8.521 8.521 8.652 -0.131 18210 8552 1 11 . 1 1 28 28 LYS N N 28 121.697 121.697 125.958 -4.261 18210 8553 1 11 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.364 -0.004 18210 8554 1 11 . 1 1 28 28 LYS C C 28 176.952 176.952 175.952 1.000 18210 8555 1 11 . 1 1 28 28 LYS CA C 28 56.967 56.967 57.155 -0.188 18210 8556 1 11 . 1 1 28 28 LYS CB C 28 32.730 32.730 31.711 1.019 18210 8557 1 11 . 1 1 28 28 LYS H H 28 8.367 8.367 8.841 -0.474 18210 8558 1 11 . 1 1 29 29 SER HA H 29 4.498 4.498 4.618 -0.120 18210 8559 1 11 . 1 1 29 29 SER C C 29 174.741 174.741 174.478 0.263 18210 8560 1 11 . 1 1 29 29 SER CA C 29 58.557 58.557 59.179 -0.622 18210 8561 1 11 . 1 1 29 29 SER CB C 29 63.945 63.945 64.262 -0.317 18210 8562 1 11 . 1 1 30 30 SER N N 30 116.470 116.470 115.701 0.769 18210 8563 1 11 . 1 1 30 30 SER HA H 30 4.429 4.429 4.606 -0.177 18210 8564 1 11 . 1 1 30 30 SER C C 30 174.467 174.467 175.185 -0.718 18210 8565 1 11 . 1 1 30 30 SER CA C 30 58.616 58.616 58.586 0.031 18210 8566 1 11 . 1 1 30 30 SER CB C 30 63.834 63.834 64.313 -0.479 18210 8567 1 11 . 1 1 30 30 SER H H 30 8.140 8.140 8.268 -0.128 18210 8568 1 11 . 1 1 31 31 ASN N N 31 119.457 119.457 120.114 -0.657 18210 8569 1 11 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.584 0.113 18210 8570 1 11 . 1 1 31 31 ASN C C 31 174.930 174.930 174.038 0.892 18210 8571 1 11 . 1 1 31 31 ASN CA C 31 53.583 53.583 54.178 -0.596 18210 8572 1 11 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.596 0.137 18210 8573 1 11 . 1 1 31 31 ASN H H 31 8.354 8.354 8.390 -0.036 18210 8574 1 11 . 1 1 32 32 ASN N N 32 118.038 118.038 113.953 4.085 18210 8575 1 11 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.934 -0.236 18210 8576 1 11 . 1 1 32 32 ASN C C 32 174.979 174.979 173.627 1.352 18210 8577 1 11 . 1 1 32 32 ASN CA C 32 53.580 53.580 53.150 0.430 18210 8578 1 11 . 1 1 32 32 ASN CB C 32 38.810 38.810 40.931 -2.121 18210 8579 1 11 . 1 1 32 32 ASN H H 32 8.218 8.218 8.042 0.176 18210 8580 1 11 . 1 1 33 33 GLN N N 33 119.603 119.603 121.680 -2.077 18210 8581 1 11 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.406 -0.053 18210 8582 1 11 . 1 1 33 33 GLN C C 33 175.735 175.735 174.824 0.911 18210 8583 1 11 . 1 1 33 33 GLN CA C 33 55.883 55.883 57.266 -1.383 18210 8584 1 11 . 1 1 33 33 GLN CB C 33 29.131 29.131 31.037 -1.906 18210 8585 1 11 . 1 1 33 33 GLN H H 33 8.337 8.337 8.677 -0.340 18210 8586 1 11 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.394 -0.116 18210 8587 1 11 . 1 1 34 34 GLN C C 34 175.170 175.170 174.008 1.162 18210 8588 1 11 . 1 1 34 34 GLN CA C 34 56.102 56.102 56.431 -0.329 18210 8589 1 11 . 1 1 34 34 GLN CB C 34 29.870 29.870 30.492 -0.622 18210 8590 1 11 . 1 1 34 34 GLN H H 34 8.087 8.087 8.200 -0.113 18210 8591 1 11 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.293 -0.573 18210 8592 1 11 . 1 1 35 35 ASP C C 35 175.810 175.810 174.858 0.952 18210 8593 1 11 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.195 1.097 18210 8594 1 11 . 1 1 35 35 ASP CB C 35 41.462 41.462 42.481 -1.019 18210 8595 1 11 . 1 1 35 35 ASP H H 35 8.033 8.033 7.677 0.356 18210 8596 1 11 . 1 1 36 36 ILE N N 36 122.378 122.378 125.498 -3.120 18210 8597 1 11 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.276 -0.212 18210 8598 1 11 . 1 1 36 36 ILE C C 36 173.823 173.823 174.410 -0.587 18210 8599 1 11 . 1 1 36 36 ILE CA C 36 60.506 60.506 58.949 1.557 18210 8600 1 11 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.756 -0.044 18210 8601 1 11 . 1 1 36 36 ILE H H 36 8.421 8.421 8.469 -0.048 18210 8602 1 11 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.861 -0.354 18210 8603 1 11 . 1 1 37 37 VAL C C 37 174.956 174.956 175.789 -0.833 18210 8604 1 11 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.745 0.790 18210 8605 1 11 . 1 1 37 37 VAL CB C 37 32.932 32.932 33.890 -0.958 18210 8606 1 11 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.745 0.036 18210 8607 1 11 . 1 1 38 38 CYS C C 38 172.106 172.106 174.573 -2.467 18210 8608 1 11 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.170 -2.952 18210 8609 1 11 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.721 23.236 18210 8610 1 11 . 1 1 39 39 THR N N 39 123.385 123.385 123.151 0.234 18210 8611 1 11 . 1 1 39 39 THR HA H 39 4.998 4.998 4.966 0.032 18210 8612 1 11 . 1 1 39 39 THR C C 39 174.687 174.687 174.065 0.622 18210 8613 1 11 . 1 1 39 39 THR CA C 39 61.514 61.514 62.478 -0.964 18210 8614 1 11 . 1 1 39 39 THR CB C 39 69.880 69.880 69.346 0.534 18210 8615 1 11 . 1 1 39 39 THR H H 39 8.229 8.229 8.539 -0.309 18210 8616 1 11 . 1 1 40 40 VAL N N 40 125.782 125.782 121.975 3.807 18210 8617 1 11 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.623 -0.343 18210 8618 1 11 . 1 1 40 40 VAL C C 40 173.622 173.622 173.679 -0.057 18210 8619 1 11 . 1 1 40 40 VAL CA C 40 60.407 60.407 60.123 0.284 18210 8620 1 11 . 1 1 40 40 VAL CB C 40 34.800 34.800 34.926 -0.126 18210 8621 1 11 . 1 1 40 40 VAL H H 40 8.892 8.892 8.098 0.794 18210 8622 1 11 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.785 0.120 18210 8623 1 11 . 1 1 41 41 LYS C C 41 175.624 175.624 176.108 -0.484 18210 8624 1 11 . 1 1 41 41 LYS CA C 41 54.247 54.247 54.969 -0.722 18210 8625 1 11 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.566 -1.664 18210 8626 1 11 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.499 -0.192 18210 8627 1 11 . 1 1 42 42 ALA C C 42 175.028 175.028 175.535 -0.507 18210 8628 1 11 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.395 0.149 18210 8629 1 11 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.465 0.768 18210 8630 1 11 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.822 -0.043 18210 8631 1 11 . 1 1 43 43 HIS C C 43 172.767 172.767 174.789 -2.022 18210 8632 1 11 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.834 -2.233 18210 8633 1 11 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.817 -2.518 18210 8634 1 11 . 1 1 43 43 HIS H H 43 8.722 8.722 8.676 0.046 18210 8635 1 11 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.193 -0.153 18210 8636 1 11 . 1 1 44 44 ALA C C 44 178.087 178.087 177.917 0.170 18210 8637 1 11 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.426 -0.564 18210 8638 1 11 . 1 1 44 44 ALA CB C 44 19.024 19.024 19.160 -0.136 18210 8639 1 11 . 1 1 44 44 ALA H H 44 8.468 8.468 8.284 0.184 18210 8640 1 11 . 1 1 45 45 ASN N N 45 113.483 113.483 115.313 -1.830 18210 8641 1 11 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.859 -0.517 18210 8642 1 11 . 1 1 45 45 ASN C C 45 174.441 174.441 175.076 -0.635 18210 8643 1 11 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.660 1.668 18210 8644 1 11 . 1 1 45 45 ASN CB C 45 38.679 38.679 40.350 -1.671 18210 8645 1 11 . 1 1 45 45 ASN H H 45 7.356 7.356 8.294 -0.938 18210 8646 1 11 . 1 1 46 46 ASP N N 46 120.941 120.941 120.882 0.059 18210 8647 1 11 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.815 -0.224 18210 8648 1 11 . 1 1 46 46 ASP C C 46 175.724 175.724 176.143 -0.419 18210 8649 1 11 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.330 1.839 18210 8650 1 11 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.383 0.136 18210 8651 1 11 . 1 1 46 46 ASP H H 46 7.959 7.959 8.005 -0.046 18210 8652 1 11 . 1 1 47 47 LEU N N 47 123.735 123.735 122.147 1.588 18210 8653 1 11 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.435 0.541 18210 8654 1 11 . 1 1 47 47 LEU C C 47 175.735 175.735 176.795 -1.060 18210 8655 1 11 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.935 -0.244 18210 8656 1 11 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.817 0.749 18210 8657 1 11 . 1 1 47 47 LEU H H 47 8.156 8.156 8.637 -0.481 18210 8658 1 11 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.645 0.626 18210 8659 1 11 . 1 1 48 48 ILE C C 48 175.979 175.979 175.447 0.532 18210 8660 1 11 . 1 1 48 48 ILE CA C 48 58.953 58.953 59.016 -0.063 18210 8661 1 11 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.169 2.970 18210 8662 1 11 . 1 1 49 49 GLY N N 49 102.726 102.726 111.187 -8.461 18210 8663 1 11 . 1 1 49 49 GLY C C 49 169.506 169.506 171.765 -2.259 18210 8664 1 11 . 1 1 49 49 GLY CA C 49 48.190 48.190 45.976 2.214 18210 8665 1 11 . 1 1 49 49 GLY H H 49 7.900 7.900 8.494 -0.594 18210 8666 1 11 . 1 1 50 50 PHE N N 50 111.884 111.884 113.554 -1.670 18210 8667 1 11 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.369 0.544 18210 8668 1 11 . 1 1 50 50 PHE C C 50 171.823 171.823 171.868 -0.045 18210 8669 1 11 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.543 -0.816 18210 8670 1 11 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.540 0.489 18210 8671 1 11 . 1 1 50 50 PHE H H 50 8.248 8.248 7.774 0.474 18210 8672 1 11 . 1 1 51 51 LYS N N 51 117.924 117.924 119.119 -1.195 18210 8673 1 11 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.210 0.174 18210 8674 1 11 . 1 1 51 51 LYS C C 51 176.140 176.140 174.440 1.700 18210 8675 1 11 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.951 -0.530 18210 8676 1 11 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.272 0.648 18210 8677 1 11 . 1 1 51 51 LYS H H 51 7.857 7.857 7.901 -0.044 18210 8678 1 11 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.137 -0.116 18210 8679 1 11 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.859 -4.668 18210 8680 1 11 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.176 11.011 18210 8681 1 11 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.414 -0.037 18210 8682 1 11 . 1 1 53 53 PRO C C 53 177.624 177.624 176.976 0.648 18210 8683 1 11 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.403 -0.833 18210 8684 1 11 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.376 -1.120 18210 8685 1 11 . 1 1 54 54 SER HA H 54 4.106 4.106 4.230 -0.124 18210 8686 1 11 . 1 1 54 54 SER C C 54 174.271 174.271 174.531 -0.260 18210 8687 1 11 . 1 1 54 54 SER CA C 54 61.221 61.221 60.165 1.056 18210 8688 1 11 . 1 1 54 54 SER CB C 54 63.243 63.243 63.347 -0.104 18210 8689 1 11 . 1 1 55 55 ASN N N 55 115.116 115.116 117.292 -2.176 18210 8690 1 11 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.851 -0.178 18210 8691 1 11 . 1 1 55 55 ASN C C 55 174.556 174.556 174.147 0.409 18210 8692 1 11 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.622 0.242 18210 8693 1 11 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.775 -1.851 18210 8694 1 11 . 1 1 55 55 ASN H H 55 8.712 8.712 8.280 0.432 18210 8695 1 11 . 1 1 56 56 TYR N N 56 120.489 120.489 118.850 1.639 18210 8696 1 11 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.586 0.106 18210 8697 1 11 . 1 1 56 56 TYR C C 56 176.019 176.019 175.011 1.008 18210 8698 1 11 . 1 1 56 56 TYR CA C 56 57.469 57.469 58.099 -0.629 18210 8699 1 11 . 1 1 56 56 TYR CB C 56 38.698 38.698 40.812 -2.114 18210 8700 1 11 . 1 1 56 56 TYR H H 56 7.637 7.637 7.803 -0.166 18210 8701 1 11 . 1 1 57 57 SER N N 57 117.381 117.381 115.757 1.624 18210 8702 1 11 . 1 1 57 57 SER HA H 57 4.915 4.915 4.803 0.112 18210 8703 1 11 . 1 1 57 57 SER C C 57 173.649 173.649 173.882 -0.233 18210 8704 1 11 . 1 1 57 57 SER CA C 57 57.586 57.586 56.447 1.139 18210 8705 1 11 . 1 1 57 57 SER CB C 57 64.766 64.766 64.026 0.740 18210 8706 1 11 . 1 1 57 57 SER H H 57 9.323 9.323 8.357 0.966 18210 8707 1 11 . 1 1 58 58 VAL N N 58 125.696 125.696 123.841 1.855 18210 8708 1 11 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.483 0.329 18210 8709 1 11 . 1 1 58 58 VAL C C 58 174.911 174.911 175.268 -0.357 18210 8710 1 11 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.585 0.304 18210 8711 1 11 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.623 0.562 18210 8712 1 11 . 1 1 58 58 VAL H H 58 8.474 8.474 8.782 -0.308 18210 8713 1 11 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.873 -0.213 18210 8714 1 11 . 1 1 59 59 GLU CA C 59 52.599 52.599 53.056 -0.457 18210 8715 1 11 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.162 -0.252 18210 8716 1 11 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.621 0.079 18210 8717 1 11 . 1 1 60 60 PRO C C 60 176.708 176.708 176.375 0.333 18210 8718 1 11 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.042 -0.311 18210 8719 1 11 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.475 1.531 18210 8720 1 11 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.598 -0.235 18210 8721 1 11 . 1 1 61 61 HIS C C 61 174.320 174.320 174.634 -0.314 18210 8722 1 11 . 1 1 61 61 HIS CA C 61 58.473 58.473 57.967 0.506 18210 8723 1 11 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.106 -2.591 18210 8724 1 11 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.638 0.405 18210 8725 1 11 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.245 -1.907 18210 8726 1 11 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.445 -0.935 18210 8727 1 11 . 1 1 63 63 CYS N N 63 120.346 120.346 118.030 2.316 18210 8728 1 11 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.666 -0.443 18210 8729 1 11 . 1 1 63 63 CYS C C 63 171.976 171.976 175.394 -3.418 18210 8730 1 11 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.151 -0.647 18210 8731 1 11 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.895 13.186 18210 8732 1 11 . 1 1 63 63 CYS H H 63 6.446 6.446 8.213 -1.768 18210 8733 1 11 . 1 1 64 64 PHE N N 64 116.155 116.155 117.061 -0.906 18210 8734 1 11 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.482 -0.262 18210 8735 1 11 . 1 1 64 64 PHE C C 64 177.110 177.110 177.227 -0.117 18210 8736 1 11 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.374 0.217 18210 8737 1 11 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.863 3.286 18210 8738 1 11 . 1 1 64 64 PHE H H 64 7.697 7.697 7.418 0.279 18210 8739 1 11 . 1 1 65 65 VAL N N 65 119.794 119.794 120.584 -0.790 18210 8740 1 11 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.732 0.233 18210 8741 1 11 . 1 1 65 65 VAL C C 65 176.948 176.948 176.000 0.948 18210 8742 1 11 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.812 1.151 18210 8743 1 11 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.734 -0.650 18210 8744 1 11 . 1 1 65 65 VAL H H 65 8.449 8.449 7.318 1.131 18210 8745 1 11 . 1 1 66 66 SER N N 66 113.648 113.648 110.612 3.036 18210 8746 1 11 . 1 1 66 66 SER HA H 66 5.041 5.041 4.477 0.564 18210 8747 1 11 . 1 1 66 66 SER C C 66 173.905 173.905 172.457 1.448 18210 8748 1 11 . 1 1 66 66 SER CA C 66 56.701 56.701 56.929 -0.228 18210 8749 1 11 . 1 1 66 66 SER CB C 66 65.738 65.738 63.744 1.994 18210 8750 1 11 . 1 1 66 66 SER H H 66 7.706 7.706 7.628 0.078 18210 8751 1 11 . 1 1 67 67 ALA N N 67 115.370 115.370 127.110 -11.740 18210 8752 1 11 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.262 -0.218 18210 8753 1 11 . 1 1 67 67 ALA C C 67 175.316 175.316 174.679 0.637 18210 8754 1 11 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.626 0.497 18210 8755 1 11 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.886 2.941 18210 8756 1 11 . 1 1 67 67 ALA H H 67 9.280 9.280 7.660 1.620 18210 8757 1 11 . 1 1 68 68 PHE N N 68 116.820 116.820 117.562 -0.742 18210 8758 1 11 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.105 -0.106 18210 8759 1 11 . 1 1 68 68 PHE C C 68 176.533 176.533 176.558 -0.025 18210 8760 1 11 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.983 0.555 18210 8761 1 11 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.391 -0.427 18210 8762 1 11 . 1 1 68 68 PHE H H 68 8.520 8.520 8.579 -0.059 18210 8763 1 11 . 1 1 69 69 ASN N N 69 118.203 118.203 121.643 -3.440 18210 8764 1 11 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.913 0.129 18210 8765 1 11 . 1 1 69 69 ASN C C 69 176.820 176.820 177.391 -0.571 18210 8766 1 11 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.566 -1.530 18210 8767 1 11 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.368 0.126 18210 8768 1 11 . 1 1 69 69 ASN H H 69 8.498 8.498 9.017 -0.519 18210 8769 1 11 . 1 1 70 70 LEU N N 70 118.189 118.189 120.903 -2.714 18210 8770 1 11 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.413 -0.134 18210 8771 1 11 . 1 1 70 70 LEU C C 70 178.484 178.484 177.753 0.731 18210 8772 1 11 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.958 -0.194 18210 8773 1 11 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.931 -0.293 18210 8774 1 11 . 1 1 70 70 LEU H H 70 8.514 8.514 8.923 -0.409 18210 8775 1 11 . 1 1 71 71 SER N N 71 113.939 113.939 112.896 1.043 18210 8776 1 11 . 1 1 71 71 SER HA H 71 4.572 4.572 4.495 0.077 18210 8777 1 11 . 1 1 71 71 SER C C 71 174.682 174.682 175.137 -0.455 18210 8778 1 11 . 1 1 71 71 SER CA C 71 58.758 58.758 58.663 0.095 18210 8779 1 11 . 1 1 71 71 SER CB C 71 63.762 63.762 63.057 0.705 18210 8780 1 11 . 1 1 71 71 SER H H 71 8.049 8.049 8.013 0.036 18210 8781 1 11 . 1 1 72 72 GLY N N 72 109.936 109.936 108.223 1.713 18210 8782 1 11 . 1 1 72 72 GLY C C 72 173.549 173.549 173.714 -0.165 18210 8783 1 11 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.610 0.028 18210 8784 1 11 . 1 1 72 72 GLY H H 72 8.641 8.641 8.026 0.615 18210 8785 1 11 . 1 1 73 73 LYS N N 73 119.884 119.884 119.022 0.862 18210 8786 1 11 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.502 0.051 18210 8787 1 11 . 1 1 73 73 LYS C C 73 175.750 175.750 175.245 0.505 18210 8788 1 11 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.923 -0.265 18210 8789 1 11 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.928 -0.187 18210 8790 1 11 . 1 1 73 73 LYS H H 73 7.738 7.738 7.825 -0.087 18210 8791 1 11 . 1 1 74 74 ASN HA H 74 4.520 4.520 5.013 -0.493 18210 8792 1 11 . 1 1 74 74 ASN C C 74 174.680 174.680 174.902 -0.222 18210 8793 1 11 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.117 1.115 18210 8794 1 11 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.849 0.478 18210 8795 1 11 . 1 1 75 75 GLU N N 75 124.834 124.834 127.454 -2.620 18210 8796 1 11 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.488 0.110 18210 8797 1 11 . 1 1 75 75 GLU C C 75 174.547 174.547 175.499 -0.952 18210 8798 1 11 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.204 -0.317 18210 8799 1 11 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.444 -0.536 18210 8800 1 11 . 1 1 75 75 GLU H H 75 8.835 8.835 8.130 0.705 18210 8801 1 11 . 1 1 76 76 ASN N N 76 121.549 121.549 123.166 -1.617 18210 8802 1 11 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.773 -0.098 18210 8803 1 11 . 1 1 76 76 ASN C C 76 175.670 175.670 176.014 -0.344 18210 8804 1 11 . 1 1 76 76 ASN CA C 76 54.120 54.120 54.079 0.041 18210 8805 1 11 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.682 0.360 18210 8806 1 11 . 1 1 76 76 ASN H H 76 8.580 8.580 8.701 -0.121 18210 8807 1 11 . 1 1 77 77 LEU N N 77 125.808 125.808 123.213 2.595 18210 8808 1 11 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.621 -0.514 18210 8809 1 11 . 1 1 77 77 LEU C C 77 178.104 178.104 177.044 1.060 18210 8810 1 11 . 1 1 77 77 LEU CA C 77 55.991 55.991 53.872 2.119 18210 8811 1 11 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.284 0.100 18210 8812 1 11 . 1 1 77 77 LEU H H 77 8.610 8.610 8.263 0.347 18210 8813 1 11 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.207 -0.191 18210 8814 1 11 . 1 1 78 78 GLU C C 78 176.833 176.833 177.451 -0.618 18210 8815 1 11 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.711 0.939 18210 8816 1 11 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.575 1.109 18210 8817 1 11 . 1 1 79 79 ASN N N 79 114.719 114.719 116.652 -1.933 18210 8818 1 11 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.414 0.150 18210 8819 1 11 . 1 1 79 79 ASN C C 79 175.510 175.510 176.122 -0.612 18210 8820 1 11 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.036 -0.644 18210 8821 1 11 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.528 1.190 18210 8822 1 11 . 1 1 79 79 ASN H H 79 8.257 8.257 8.499 -0.242 18210 8823 1 11 . 1 1 80 80 LYS N N 80 118.906 118.906 120.427 -1.521 18210 8824 1 11 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.129 0.164 18210 8825 1 11 . 1 1 80 80 LYS C C 80 175.748 175.748 176.462 -0.714 18210 8826 1 11 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.659 0.106 18210 8827 1 11 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.169 1.176 18210 8828 1 11 . 1 1 80 80 LYS H H 80 7.818 7.818 7.733 0.085 18210 8829 1 11 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.332 -0.182 18210 8830 1 11 . 1 1 81 81 LEU C C 81 174.688 174.688 174.790 -0.102 18210 8831 1 11 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.671 0.851 18210 8832 1 11 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.236 -1.173 18210 8833 1 11 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.165 0.004 18210 8834 1 11 . 1 1 82 82 LYS C C 82 175.701 175.701 175.679 0.022 18210 8835 1 11 . 1 1 82 82 LYS CA C 82 56.168 56.168 56.202 -0.034 18210 8836 1 11 . 1 1 82 82 LYS CB C 82 30.017 30.017 31.041 -1.024 18210 8837 1 11 . 1 1 83 83 LEU N N 83 120.762 120.762 126.189 -5.427 18210 8838 1 11 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.279 0.141 18210 8839 1 11 . 1 1 83 83 LEU C C 83 177.184 177.184 177.381 -0.197 18210 8840 1 11 . 1 1 83 83 LEU CA C 83 55.219 55.219 55.111 0.109 18210 8841 1 11 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.629 -0.318 18210 8842 1 11 . 1 1 83 83 LEU H H 83 7.485 7.485 7.824 -0.339 18210 8843 1 11 . 1 1 84 84 THR N N 84 110.955 110.955 115.443 -4.488 18210 8844 1 11 . 1 1 84 84 THR HA H 84 4.712 4.712 4.561 0.151 18210 8845 1 11 . 1 1 84 84 THR C C 84 173.001 173.001 173.862 -0.861 18210 8846 1 11 . 1 1 84 84 THR CA C 84 59.883 59.883 60.758 -0.875 18210 8847 1 11 . 1 1 84 84 THR CB C 84 71.825 71.825 72.103 -0.278 18210 8848 1 11 . 1 1 84 84 THR H H 84 8.519 8.519 8.302 0.217 18210 8849 1 11 . 1 1 85 85 ASN N N 85 117.589 117.589 116.955 0.634 18210 8850 1 11 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.405 -0.259 18210 8851 1 11 . 1 1 85 85 ASN C C 85 173.572 173.572 174.378 -0.806 18210 8852 1 11 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.907 0.412 18210 8853 1 11 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.069 1.839 18210 8854 1 11 . 1 1 85 85 ASN H H 85 8.850 8.850 8.762 0.088 18210 8855 1 11 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.230 0.062 18210 8856 1 11 . 1 1 86 86 ILE C C 86 177.346 177.346 176.020 1.326 18210 8857 1 11 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.547 1.260 18210 8858 1 11 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.870 -0.171 18210 8859 1 11 . 1 1 87 87 ILE N N 87 131.807 131.807 129.074 2.733 18210 8860 1 11 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.511 -0.256 18210 8861 1 11 . 1 1 87 87 ILE C C 87 174.493 174.493 174.460 0.033 18210 8862 1 11 . 1 1 87 87 ILE CA C 87 60.152 60.152 59.977 0.175 18210 8863 1 11 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.178 1.932 18210 8864 1 11 . 1 1 87 87 ILE H H 87 9.166 9.166 8.533 0.633 18210 8865 1 11 . 1 1 88 88 MET HA H 88 4.017 4.017 4.559 -0.542 18210 8866 1 11 . 1 1 88 88 MET C C 88 173.613 173.613 174.279 -0.666 18210 8867 1 11 . 1 1 88 88 MET CA C 88 53.287 53.287 54.708 -1.421 18210 8868 1 11 . 1 1 88 88 MET CB C 88 33.478 33.478 34.412 -0.934 18210 8869 1 11 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.759 -0.062 18210 8870 1 11 . 1 1 89 89 ASP C C 89 176.750 176.750 175.882 0.868 18210 8871 1 11 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.120 -0.019 18210 8872 1 11 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.789 -1.598 18210 8873 1 11 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.320 0.121 18210 8874 1 11 . 1 1 90 90 HIS C C 90 175.625 175.625 176.229 -0.604 18210 8875 1 11 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.902 -0.648 18210 8876 1 11 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.091 -1.512 18210 8877 1 11 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.238 0.202 18210 8878 1 11 . 1 1 91 91 TYR C C 91 177.915 177.915 175.528 2.387 18210 8879 1 11 . 1 1 91 91 TYR CA C 91 60.760 60.760 60.865 -0.106 18210 8880 1 11 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.744 -0.677 18210 8881 1 11 . 1 1 92 92 ASN N N 92 113.661 113.661 113.312 0.349 18210 8882 1 11 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.551 0.222 18210 8883 1 11 . 1 1 92 92 ASN C C 92 174.762 174.762 174.478 0.284 18210 8884 1 11 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.821 -0.206 18210 8885 1 11 . 1 1 92 92 ASN CB C 92 39.282 39.282 39.203 0.079 18210 8886 1 11 . 1 1 92 92 ASN H H 92 7.713 7.713 8.030 -0.317 18210 8887 1 11 . 1 1 93 93 ASN N N 93 125.176 125.176 114.741 10.435 18210 8888 1 11 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.344 0.365 18210 8889 1 11 . 1 1 93 93 ASN C C 93 172.729 172.729 172.960 -0.231 18210 8890 1 11 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.639 -1.904 18210 8891 1 11 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.766 1.195 18210 8892 1 11 . 1 1 93 93 ASN H H 93 7.804 7.804 7.845 -0.041 18210 8893 1 11 . 1 1 94 94 THR N N 94 109.900 109.900 111.325 -1.425 18210 8894 1 11 . 1 1 94 94 THR HA H 94 4.852 4.852 4.952 -0.100 18210 8895 1 11 . 1 1 94 94 THR C C 94 170.824 170.824 171.638 -0.814 18210 8896 1 11 . 1 1 94 94 THR CA C 94 61.817 61.817 60.073 1.744 18210 8897 1 11 . 1 1 94 94 THR CB C 94 71.074 71.074 71.116 -0.042 18210 8898 1 11 . 1 1 94 94 THR H H 94 7.654 7.654 7.425 0.229 18210 8899 1 11 . 1 1 95 95 PHE N N 95 126.721 126.721 123.681 3.040 18210 8900 1 11 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.362 -0.254 18210 8901 1 11 . 1 1 95 95 PHE C C 95 174.143 174.143 174.249 -0.106 18210 8902 1 11 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.572 -0.003 18210 8903 1 11 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.806 -0.013 18210 8904 1 11 . 1 1 95 95 PHE H H 95 8.166 8.166 7.681 0.485 18210 8905 1 11 . 1 1 96 96 TYR N N 96 115.709 115.709 120.079 -4.370 18210 8906 1 11 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.534 0.533 18210 8907 1 11 . 1 1 96 96 TYR C C 96 175.734 175.734 175.129 0.605 18210 8908 1 11 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.644 -0.212 18210 8909 1 11 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.895 1.272 18210 8910 1 11 . 1 1 96 96 TYR H H 96 9.149 9.149 8.671 0.478 18210 8911 1 11 . 1 1 97 97 SER N N 97 109.503 109.503 114.732 -5.229 18210 8912 1 11 . 1 1 97 97 SER HA H 97 4.430 4.430 4.964 -0.534 18210 8913 1 11 . 1 1 97 97 SER C C 97 170.684 170.684 173.035 -2.351 18210 8914 1 11 . 1 1 97 97 SER CA C 97 59.324 59.324 57.848 1.476 18210 8915 1 11 . 1 1 97 97 SER CB C 97 66.341 66.341 66.746 -0.405 18210 8916 1 11 . 1 1 97 97 SER H H 97 8.921 8.921 9.290 -0.369 18210 8917 1 11 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.786 0.608 18210 8918 1 11 . 1 1 98 98 ARG C C 98 175.850 175.850 174.991 0.859 18210 8919 1 11 . 1 1 98 98 ARG CA C 98 54.176 54.176 55.016 -0.840 18210 8920 1 11 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.774 0.353 18210 8921 1 11 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.719 -0.389 18210 8922 1 11 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.270 1.536 18210 8923 1 11 . 1 1 99 99 LEU CB C 99 40.903 40.903 41.870 -0.967 18210 8924 1 11 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.355 0.321 18210 8925 1 11 . 1 1 100 100 PRO C C 100 175.744 175.744 176.960 -1.216 18210 8926 1 11 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.023 -0.734 18210 8927 1 11 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.685 0.101 18210 8928 1 11 . 1 1 101 101 SER HA H 101 4.126 4.126 4.395 -0.269 18210 8929 1 11 . 1 1 101 101 SER C C 101 173.214 173.214 173.855 -0.641 18210 8930 1 11 . 1 1 101 101 SER CA C 101 60.265 60.265 59.843 0.422 18210 8931 1 11 . 1 1 101 101 SER CB C 101 63.660 63.660 63.524 0.136 18210 8932 1 11 . 1 1 102 102 LEU N N 102 121.389 121.389 122.282 -0.893 18210 8933 1 11 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.583 -0.051 18210 8934 1 11 . 1 1 102 102 LEU C C 102 175.187 175.187 175.305 -0.118 18210 8935 1 11 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.528 0.158 18210 8936 1 11 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.048 0.332 18210 8937 1 11 . 1 1 102 102 LEU H H 102 7.179 7.179 7.415 -0.236 18210 8938 1 11 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.534 -0.091 18210 8939 1 11 . 1 1 103 103 ILE C C 103 175.490 175.490 175.581 -0.091 18210 8940 1 11 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.371 -1.462 18210 8941 1 11 . 1 1 103 103 ILE CB C 103 39.678 39.678 38.943 0.735 18210 8942 1 11 . 1 1 104 104 SER N N 104 120.807 120.807 119.980 0.827 18210 8943 1 11 . 1 1 104 104 SER HA H 104 4.581 4.581 4.595 -0.014 18210 8944 1 11 . 1 1 104 104 SER C C 104 173.234 173.234 174.005 -0.771 18210 8945 1 11 . 1 1 104 104 SER CA C 104 58.166 58.166 57.772 0.394 18210 8946 1 11 . 1 1 104 104 SER CB C 104 64.341 64.341 64.168 0.173 18210 8947 1 11 . 1 1 104 104 SER H H 104 8.471 8.471 8.446 0.025 18210 8948 1 11 . 1 1 105 105 ASP N N 105 119.103 119.103 121.990 -2.887 18210 8949 1 11 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.781 -0.132 18210 8950 1 11 . 1 1 105 105 ASP C C 105 174.991 174.991 175.608 -0.617 18210 8951 1 11 . 1 1 105 105 ASP CA C 105 53.734 53.734 53.653 0.081 18210 8952 1 11 . 1 1 105 105 ASP CB C 105 42.477 42.477 41.477 1.000 18210 8953 1 11 . 1 1 105 105 ASP H H 105 8.060 8.060 8.021 0.039 18210 8954 1 11 . 1 1 106 106 ASN N N 106 116.036 116.036 117.253 -1.217 18210 8955 1 11 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.816 -0.081 18210 8956 1 11 . 1 1 106 106 ASN C C 106 174.308 174.308 175.409 -1.101 18210 8957 1 11 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.332 1.448 18210 8958 1 11 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.117 0.905 18210 8959 1 11 . 1 1 106 106 ASN H H 106 8.389 8.389 8.616 -0.227 18210 8960 1 11 . 1 1 107 107 TRP N N 107 119.645 119.645 120.607 -0.962 18210 8961 1 11 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.761 0.068 18210 8962 1 11 . 1 1 107 107 TRP C C 107 174.949 174.949 174.641 0.308 18210 8963 1 11 . 1 1 107 107 TRP CA C 107 56.192 56.192 55.941 0.251 18210 8964 1 11 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.562 2.651 18210 8965 1 11 . 1 1 107 107 TRP H H 107 7.846 7.846 7.723 0.123 18210 8966 1 11 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.725 0.737 18210 8967 1 11 . 1 1 108 108 LYS C C 108 174.986 174.986 174.716 0.270 18210 8968 1 11 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.287 0.909 18210 8969 1 11 . 1 1 108 108 LYS CB C 108 36.215 36.215 36.076 0.139 18210 8970 1 11 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.359 0.186 18210 8971 1 11 . 1 1 109 109 PHE C C 109 172.950 172.950 172.596 0.354 18210 8972 1 11 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.673 -0.253 18210 8973 1 11 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.259 -0.368 18210 8974 1 11 . 1 1 110 110 PHE N N 110 115.390 115.390 114.339 1.051 18210 8975 1 11 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.177 0.855 18210 8976 1 11 . 1 1 110 110 PHE C C 110 173.892 173.892 173.621 0.271 18210 8977 1 11 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.377 0.855 18210 8978 1 11 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.934 2.432 18210 8979 1 11 . 1 1 110 110 PHE H H 110 9.267 9.267 7.716 1.551 18210 8980 1 11 . 1 1 111 111 CYS N N 111 116.463 116.463 117.321 -0.858 18210 8981 1 11 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.870 0.191 18210 8982 1 11 . 1 1 111 111 CYS C C 111 171.900 171.900 172.955 -1.055 18210 8983 1 11 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.822 -3.970 18210 8984 1 11 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.397 16.433 18210 8985 1 11 . 1 1 111 111 CYS H H 111 9.274 9.274 8.776 0.498 18210 8986 1 11 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.177 0.025 18210 8987 1 11 . 1 1 112 112 VAL C C 112 175.041 175.041 174.364 0.677 18210 8988 1 11 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.428 0.015 18210 8989 1 11 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.277 0.300 18210 8990 1 11 . 1 1 112 112 VAL H H 112 9.605 9.605 8.437 1.168 18210 8991 1 11 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.542 0.218 18210 8992 1 11 . 1 1 113 113 CYS C C 113 173.601 173.601 173.671 -0.070 18210 8993 1 11 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.430 -4.609 18210 8994 1 11 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.039 14.907 18210 8995 1 11 . 1 1 114 114 SER N N 114 117.968 117.968 118.438 -0.470 18210 8996 1 11 . 1 1 114 114 SER HA H 114 5.093 5.093 5.026 0.067 18210 8997 1 11 . 1 1 114 114 SER C C 114 172.267 172.267 172.633 -0.366 18210 8998 1 11 . 1 1 114 114 SER CA C 114 56.677 56.677 58.040 -1.363 18210 8999 1 11 . 1 1 114 114 SER CB C 114 66.795 66.795 65.995 0.800 18210 9000 1 11 . 1 1 114 114 SER H H 114 9.250 9.250 9.300 -0.050 18210 9001 1 11 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.429 -0.323 18210 9002 1 11 . 1 1 115 115 LYS C C 115 174.527 174.527 174.234 0.293 18210 9003 1 11 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.452 0.470 18210 9004 1 11 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.117 -2.108 18210 9005 1 11 . 1 1 115 115 LYS H H 115 8.705 8.705 8.409 0.296 18210 9006 1 11 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.517 -0.326 18210 9007 1 11 . 1 1 116 116 ASP C C 116 176.002 176.002 176.692 -0.690 18210 9008 1 11 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.271 1.043 18210 9009 1 11 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.956 -0.509 18210 9010 1 11 . 1 1 117 117 ASN N N 117 116.913 116.913 118.544 -1.631 18210 9011 1 11 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.308 0.131 18210 9012 1 11 . 1 1 117 117 ASN C C 117 174.246 174.246 173.585 0.661 18210 9013 1 11 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.232 0.201 18210 9014 1 11 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.077 0.105 18210 9015 1 11 . 1 1 117 117 ASN H H 117 8.752 8.752 8.668 0.084 18210 9016 1 11 . 1 1 118 118 GLU N N 118 116.615 116.615 118.321 -1.706 18210 9017 1 11 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.440 0.320 18210 9018 1 11 . 1 1 118 118 GLU C C 118 177.397 177.397 175.569 1.828 18210 9019 1 11 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.455 -1.146 18210 9020 1 11 . 1 1 118 118 GLU CB C 118 31.091 31.091 32.885 -1.794 18210 9021 1 11 . 1 1 118 118 GLU H H 118 7.819 7.819 8.231 -0.412 18210 9022 1 11 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.172 -0.007 18210 9023 1 11 . 1 1 119 119 LYS C C 119 177.626 177.626 176.428 1.198 18210 9024 1 11 . 1 1 119 119 LYS CA C 119 57.540 57.540 57.049 0.491 18210 9025 1 11 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.955 -0.110 18210 9026 1 11 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.527 -0.222 18210 9027 1 11 . 1 1 120 120 LYS C C 120 174.312 174.312 175.453 -1.141 18210 9028 1 11 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.556 1.550 18210 9029 1 11 . 1 1 120 120 LYS CB C 120 33.188 33.188 34.207 -1.019 18210 9030 1 11 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.336 0.223 18210 9031 1 11 . 1 1 121 121 LEU C C 121 174.893 174.893 175.032 -0.139 18210 9032 1 11 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.537 -0.933 18210 9033 1 11 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.747 -3.141 18210 9034 1 11 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.656 -0.295 18210 9035 1 11 . 1 1 122 122 VAL C C 122 173.909 173.909 174.362 -0.453 18210 9036 1 11 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.186 0.842 18210 9037 1 11 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.960 -0.366 18210 9038 1 11 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.890 0.285 18210 9039 1 11 . 1 1 123 123 PHE C C 123 173.230 173.230 173.050 0.180 18210 9040 1 11 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.097 0.217 18210 9041 1 11 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.911 -1.079 18210 9042 1 11 . 1 1 124 124 THR N N 124 121.688 121.688 123.302 -1.614 18210 9043 1 11 . 1 1 124 124 THR HA H 124 4.885 4.885 4.646 0.239 18210 9044 1 11 . 1 1 124 124 THR C C 124 170.874 170.874 172.198 -1.324 18210 9045 1 11 . 1 1 124 124 THR CA C 124 60.087 60.087 59.828 0.259 18210 9046 1 11 . 1 1 124 124 THR CB C 124 70.942 70.942 71.167 -0.225 18210 9047 1 11 . 1 1 124 124 THR H H 124 8.493 8.493 8.178 0.315 18210 9048 1 11 . 1 1 125 125 VAL N N 125 125.781 125.781 120.405 5.376 18210 9049 1 11 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.064 -0.548 18210 9050 1 11 . 1 1 125 125 VAL C C 125 173.796 173.796 172.971 0.825 18210 9051 1 11 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.574 1.218 18210 9052 1 11 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.404 -2.170 18210 9053 1 11 . 1 1 125 125 VAL H H 125 8.275 8.275 7.867 0.408 18210 9054 1 11 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.898 -0.009 18210 9055 1 11 . 1 1 126 126 GLU C C 126 173.519 173.519 174.415 -0.896 18210 9056 1 11 . 1 1 126 126 GLU CA C 126 53.966 53.966 53.895 0.071 18210 9057 1 11 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.737 -0.775 18210 9058 1 11 . 1 1 126 126 GLU H H 126 8.262 8.262 7.971 0.291 18210 9059 1 12 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.332 -0.163 18210 9060 1 12 . 1 1 2 2 LYS C C 2 176.160 176.160 175.809 0.351 18210 9061 1 12 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.648 0.317 18210 9062 1 12 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.326 -0.061 18210 9063 1 12 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.194 -0.281 18210 9064 1 12 . 1 1 3 3 VAL C C 3 175.820 175.820 175.578 0.242 18210 9065 1 12 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.224 1.264 18210 9066 1 12 . 1 1 3 3 VAL CB C 3 32.780 32.780 33.255 -0.475 18210 9067 1 12 . 1 1 4 4 LYS N N 4 129.029 129.029 127.883 1.146 18210 9068 1 12 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.403 0.104 18210 9069 1 12 . 1 1 4 4 LYS C C 4 174.923 174.923 175.711 -0.788 18210 9070 1 12 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.879 0.424 18210 9071 1 12 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.214 0.037 18210 9072 1 12 . 1 1 4 4 LYS H H 4 8.507 8.507 8.449 0.058 18210 9073 1 12 . 1 1 5 5 GLY N N 5 110.242 110.242 110.402 -0.160 18210 9074 1 12 . 1 1 5 5 GLY C C 5 173.333 173.333 171.945 1.388 18210 9075 1 12 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.443 0.821 18210 9076 1 12 . 1 1 5 5 GLY H H 5 8.138 8.138 8.027 0.111 18210 9077 1 12 . 1 1 6 6 CYS N N 6 114.306 114.306 120.655 -6.349 18210 9078 1 12 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.160 0.091 18210 9079 1 12 . 1 1 6 6 CYS C C 6 170.891 170.891 173.421 -2.530 18210 9080 1 12 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.233 -2.383 18210 9081 1 12 . 1 1 6 6 CYS CB C 6 51.150 51.150 28.962 22.188 18210 9082 1 12 . 1 1 6 6 CYS H H 6 6.750 6.750 8.519 -1.769 18210 9083 1 12 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.915 -0.167 18210 9084 1 12 . 1 1 7 7 ASP C C 7 175.607 175.607 175.664 -0.057 18210 9085 1 12 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.275 -0.037 18210 9086 1 12 . 1 1 7 7 ASP CB C 7 41.617 41.617 41.761 -0.144 18210 9087 1 12 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.552 0.325 18210 9088 1 12 . 1 1 8 8 PHE C C 8 173.972 173.972 175.831 -1.859 18210 9089 1 12 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.812 0.643 18210 9090 1 12 . 1 1 8 8 PHE CB C 8 39.219 39.219 39.091 0.128 18210 9091 1 12 . 1 1 9 9 THR N N 9 105.421 105.421 112.531 -7.110 18210 9092 1 12 . 1 1 9 9 THR HA H 9 4.611 4.611 4.451 0.160 18210 9093 1 12 . 1 1 9 9 THR C C 9 174.505 174.505 174.526 -0.021 18210 9094 1 12 . 1 1 9 9 THR CA C 9 61.988 61.988 63.281 -1.293 18210 9095 1 12 . 1 1 9 9 THR CB C 9 70.385 70.385 70.330 0.055 18210 9096 1 12 . 1 1 9 9 THR H H 9 8.996 8.996 8.313 0.683 18210 9097 1 12 . 1 1 10 10 THR N N 10 118.757 118.757 116.115 2.642 18210 9098 1 12 . 1 1 10 10 THR HA H 10 4.526 4.526 4.612 -0.086 18210 9099 1 12 . 1 1 10 10 THR C C 10 171.202 171.202 174.317 -3.115 18210 9100 1 12 . 1 1 10 10 THR CA C 10 60.774 60.774 61.217 -0.443 18210 9101 1 12 . 1 1 10 10 THR CB C 10 68.040 68.040 72.093 -4.053 18210 9102 1 12 . 1 1 10 10 THR H H 10 7.199 7.199 7.359 -0.160 18210 9103 1 12 . 1 1 11 11 SER N N 11 117.117 117.117 119.616 -2.499 18210 9104 1 12 . 1 1 11 11 SER HA H 11 3.907 3.907 4.284 -0.377 18210 9105 1 12 . 1 1 11 11 SER C C 11 174.988 174.988 175.040 -0.052 18210 9106 1 12 . 1 1 11 11 SER CA C 11 59.563 59.563 60.943 -1.380 18210 9107 1 12 . 1 1 11 11 SER CB C 11 63.599 63.599 63.516 0.083 18210 9108 1 12 . 1 1 11 11 SER H H 11 7.997 7.997 8.733 -0.736 18210 9109 1 12 . 1 1 12 12 GLU N N 12 125.013 125.013 120.824 4.189 18210 9110 1 12 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.455 0.110 18210 9111 1 12 . 1 1 12 12 GLU C C 12 175.108 175.108 175.135 -0.027 18210 9112 1 12 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.536 -1.277 18210 9113 1 12 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.203 0.725 18210 9114 1 12 . 1 1 12 12 GLU H H 12 8.375 8.375 8.183 0.192 18210 9115 1 12 . 1 1 13 13 SER N N 13 114.959 114.959 116.219 -1.260 18210 9116 1 12 . 1 1 13 13 SER HA H 13 4.130 4.130 4.530 -0.400 18210 9117 1 12 . 1 1 13 13 SER C C 13 176.833 176.833 175.281 1.552 18210 9118 1 12 . 1 1 13 13 SER CA C 13 58.707 58.707 58.629 0.078 18210 9119 1 12 . 1 1 13 13 SER CB C 13 63.598 63.598 64.520 -0.922 18210 9120 1 12 . 1 1 13 13 SER H H 13 7.879 7.879 7.961 -0.082 18210 9121 1 12 . 1 1 14 14 THR N N 14 117.688 117.688 117.152 0.536 18210 9122 1 12 . 1 1 14 14 THR HA H 14 4.348 4.348 4.399 -0.051 18210 9123 1 12 . 1 1 14 14 THR C C 14 174.550 174.550 176.417 -1.867 18210 9124 1 12 . 1 1 14 14 THR CA C 14 62.435 62.435 63.784 -1.349 18210 9125 1 12 . 1 1 14 14 THR CB C 14 69.114 69.114 69.352 -0.238 18210 9126 1 12 . 1 1 14 14 THR H H 14 8.978 8.978 8.778 0.200 18210 9127 1 12 . 1 1 15 15 ILE N N 15 118.851 118.851 116.356 2.495 18210 9128 1 12 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.159 -0.121 18210 9129 1 12 . 1 1 15 15 ILE C C 15 175.389 175.389 174.181 1.208 18210 9130 1 12 . 1 1 15 15 ILE CA C 15 62.700 62.700 61.539 1.161 18210 9131 1 12 . 1 1 15 15 ILE CB C 15 41.447 41.447 37.672 3.775 18210 9132 1 12 . 1 1 15 15 ILE H H 15 7.947 7.947 8.043 -0.096 18210 9133 1 12 . 1 1 16 16 PHE N N 16 116.409 116.409 118.707 -2.298 18210 9134 1 12 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.240 0.278 18210 9135 1 12 . 1 1 16 16 PHE C C 16 176.700 176.700 175.888 0.812 18210 9136 1 12 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.923 0.539 18210 9137 1 12 . 1 1 16 16 PHE CB C 16 42.712 42.712 41.232 1.480 18210 9138 1 12 . 1 1 16 16 PHE H H 16 7.792 7.792 7.448 0.344 18210 9139 1 12 . 1 1 17 17 SER N N 17 114.126 114.126 117.288 -3.162 18210 9140 1 12 . 1 1 17 17 SER HA H 17 3.984 3.984 4.371 -0.387 18210 9141 1 12 . 1 1 17 17 SER C C 17 174.203 174.203 174.828 -0.625 18210 9142 1 12 . 1 1 17 17 SER CA C 17 61.176 61.176 60.758 0.418 18210 9143 1 12 . 1 1 17 17 SER CB C 17 63.438 63.438 63.785 -0.347 18210 9144 1 12 . 1 1 17 17 SER H H 17 8.666 8.666 8.912 -0.246 18210 9145 1 12 . 1 1 18 18 LYS N N 18 122.828 122.828 120.701 2.127 18210 9146 1 12 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.585 0.173 18210 9147 1 12 . 1 1 18 18 LYS C C 18 174.029 174.029 175.061 -1.032 18210 9148 1 12 . 1 1 18 18 LYS CA C 18 55.661 55.661 54.572 1.089 18210 9149 1 12 . 1 1 18 18 LYS CB C 18 35.049 35.049 34.866 0.183 18210 9150 1 12 . 1 1 18 18 LYS H H 18 8.031 8.031 7.648 0.383 18210 9151 1 12 . 1 1 19 19 GLY N N 19 112.051 112.051 109.202 2.849 18210 9152 1 12 . 1 1 19 19 GLY C C 19 172.307 172.307 172.629 -0.322 18210 9153 1 12 . 1 1 19 19 GLY CA C 19 44.946 44.946 44.819 0.127 18210 9154 1 12 . 1 1 19 19 GLY H H 19 8.092 8.092 8.114 -0.022 18210 9155 1 12 . 1 1 20 20 TYR N N 20 120.060 120.060 120.583 -0.523 18210 9156 1 12 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.663 -0.093 18210 9157 1 12 . 1 1 20 20 TYR C C 20 173.557 173.557 174.400 -0.843 18210 9158 1 12 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.375 0.137 18210 9159 1 12 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.491 0.600 18210 9160 1 12 . 1 1 20 20 TYR H H 20 7.968 7.968 8.963 -0.995 18210 9161 1 12 . 1 1 21 21 SER N N 21 115.201 115.201 114.885 0.316 18210 9162 1 12 . 1 1 21 21 SER HA H 21 4.562 4.562 4.644 -0.082 18210 9163 1 12 . 1 1 21 21 SER C C 21 176.172 176.172 176.429 -0.257 18210 9164 1 12 . 1 1 21 21 SER CA C 21 56.537 56.537 56.147 0.390 18210 9165 1 12 . 1 1 21 21 SER CB C 21 65.257 65.257 64.635 0.622 18210 9166 1 12 . 1 1 21 21 SER H H 21 8.761 8.761 8.363 0.398 18210 9167 1 12 . 1 1 22 22 ILE N N 22 122.867 122.867 122.679 0.188 18210 9168 1 12 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.831 0.328 18210 9169 1 12 . 1 1 22 22 ILE C C 22 177.561 177.561 176.961 0.600 18210 9170 1 12 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.916 -1.204 18210 9171 1 12 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.879 -0.024 18210 9172 1 12 . 1 1 22 22 ILE H H 22 8.646 8.646 8.718 -0.072 18210 9173 1 12 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.473 0.072 18210 9174 1 12 . 1 1 23 23 ASN C C 23 176.647 176.647 177.692 -1.045 18210 9175 1 12 . 1 1 23 23 ASN CA C 23 55.506 55.506 56.359 -0.853 18210 9176 1 12 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.184 0.269 18210 9177 1 12 . 1 1 24 24 GLU N N 24 118.601 118.601 119.075 -0.474 18210 9178 1 12 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.134 0.152 18210 9179 1 12 . 1 1 24 24 GLU C C 24 177.998 177.998 178.263 -0.265 18210 9180 1 12 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.056 -0.750 18210 9181 1 12 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.498 1.160 18210 9182 1 12 . 1 1 24 24 GLU H H 24 7.837 7.837 7.585 0.252 18210 9183 1 12 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.061 0.112 18210 9184 1 12 . 1 1 25 25 ILE C C 25 176.641 176.641 177.714 -1.073 18210 9185 1 12 . 1 1 25 25 ILE CA C 25 62.612 62.612 63.128 -0.516 18210 9186 1 12 . 1 1 25 25 ILE CB C 25 38.360 38.360 37.963 0.397 18210 9187 1 12 . 1 1 26 26 SER N N 26 116.293 116.293 117.200 -0.907 18210 9188 1 12 . 1 1 26 26 SER HA H 26 4.663 4.663 4.434 0.229 18210 9189 1 12 . 1 1 26 26 SER C C 26 174.462 174.462 174.891 -0.429 18210 9190 1 12 . 1 1 26 26 SER CA C 26 58.392 58.392 60.359 -1.967 18210 9191 1 12 . 1 1 26 26 SER CB C 26 64.380 64.380 63.811 0.569 18210 9192 1 12 . 1 1 26 26 SER H H 26 7.813 7.813 8.092 -0.279 18210 9193 1 12 . 1 1 27 27 ASN N N 27 121.919 121.919 122.286 -0.367 18210 9194 1 12 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.522 0.199 18210 9195 1 12 . 1 1 27 27 ASN C C 27 175.869 175.869 174.575 1.294 18210 9196 1 12 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.324 0.686 18210 9197 1 12 . 1 1 27 27 ASN CB C 27 38.640 38.640 38.160 0.480 18210 9198 1 12 . 1 1 27 27 ASN H H 27 8.521 8.521 7.930 0.591 18210 9199 1 12 . 1 1 28 28 LYS N N 28 121.697 121.697 124.188 -2.491 18210 9200 1 12 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.316 0.044 18210 9201 1 12 . 1 1 28 28 LYS C C 28 176.952 176.952 176.478 0.474 18210 9202 1 12 . 1 1 28 28 LYS CA C 28 56.967 56.967 56.981 -0.014 18210 9203 1 12 . 1 1 28 28 LYS CB C 28 32.730 32.730 31.355 1.375 18210 9204 1 12 . 1 1 28 28 LYS H H 28 8.367 8.367 8.324 0.043 18210 9205 1 12 . 1 1 29 29 SER HA H 29 4.498 4.498 4.615 -0.117 18210 9206 1 12 . 1 1 29 29 SER C C 29 174.741 174.741 174.768 -0.027 18210 9207 1 12 . 1 1 29 29 SER CA C 29 58.557 58.557 58.397 0.161 18210 9208 1 12 . 1 1 29 29 SER CB C 29 63.945 63.945 64.433 -0.488 18210 9209 1 12 . 1 1 30 30 SER N N 30 116.470 116.470 116.716 -0.246 18210 9210 1 12 . 1 1 30 30 SER HA H 30 4.429 4.429 4.696 -0.267 18210 9211 1 12 . 1 1 30 30 SER C C 30 174.467 174.467 175.427 -0.960 18210 9212 1 12 . 1 1 30 30 SER CA C 30 58.616 58.616 58.422 0.194 18210 9213 1 12 . 1 1 30 30 SER CB C 30 63.834 63.834 63.651 0.183 18210 9214 1 12 . 1 1 30 30 SER H H 30 8.140 8.140 8.011 0.129 18210 9215 1 12 . 1 1 31 31 ASN N N 31 119.457 119.457 120.225 -0.768 18210 9216 1 12 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.562 0.135 18210 9217 1 12 . 1 1 31 31 ASN C C 31 174.930 174.930 173.870 1.060 18210 9218 1 12 . 1 1 31 31 ASN CA C 31 53.583 53.583 53.861 -0.278 18210 9219 1 12 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.255 0.478 18210 9220 1 12 . 1 1 31 31 ASN H H 31 8.354 8.354 8.747 -0.393 18210 9221 1 12 . 1 1 32 32 ASN N N 32 118.038 118.038 111.990 6.048 18210 9222 1 12 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.887 -0.189 18210 9223 1 12 . 1 1 32 32 ASN C C 32 174.979 174.979 174.217 0.762 18210 9224 1 12 . 1 1 32 32 ASN CA C 32 53.580 53.580 53.095 0.485 18210 9225 1 12 . 1 1 32 32 ASN CB C 32 38.810 38.810 38.233 0.577 18210 9226 1 12 . 1 1 32 32 ASN H H 32 8.218 8.218 7.774 0.444 18210 9227 1 12 . 1 1 33 33 GLN N N 33 119.603 119.603 120.270 -0.667 18210 9228 1 12 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.521 -0.168 18210 9229 1 12 . 1 1 33 33 GLN C C 33 175.735 175.735 175.571 0.164 18210 9230 1 12 . 1 1 33 33 GLN CA C 33 55.883 55.883 56.224 -0.341 18210 9231 1 12 . 1 1 33 33 GLN CB C 33 29.131 29.131 30.494 -1.363 18210 9232 1 12 . 1 1 33 33 GLN H H 33 8.337 8.337 8.618 -0.281 18210 9233 1 12 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.367 -0.089 18210 9234 1 12 . 1 1 34 34 GLN C C 34 175.170 175.170 174.795 0.375 18210 9235 1 12 . 1 1 34 34 GLN CA C 34 56.102 56.102 56.471 -0.369 18210 9236 1 12 . 1 1 34 34 GLN CB C 34 29.870 29.870 30.370 -0.500 18210 9237 1 12 . 1 1 34 34 GLN H H 34 8.087 8.087 8.298 -0.211 18210 9238 1 12 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.019 -0.299 18210 9239 1 12 . 1 1 35 35 ASP C C 35 175.810 175.810 174.645 1.165 18210 9240 1 12 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.097 1.195 18210 9241 1 12 . 1 1 35 35 ASP CB C 35 41.462 41.462 43.405 -1.943 18210 9242 1 12 . 1 1 35 35 ASP H H 35 8.033 8.033 7.750 0.283 18210 9243 1 12 . 1 1 36 36 ILE N N 36 122.378 122.378 124.161 -1.783 18210 9244 1 12 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.191 -0.127 18210 9245 1 12 . 1 1 36 36 ILE C C 36 173.823 173.823 174.739 -0.916 18210 9246 1 12 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.180 1.326 18210 9247 1 12 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.386 0.326 18210 9248 1 12 . 1 1 36 36 ILE H H 36 8.421 8.421 8.233 0.188 18210 9249 1 12 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.781 -0.274 18210 9250 1 12 . 1 1 37 37 VAL C C 37 174.956 174.956 175.667 -0.711 18210 9251 1 12 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.892 0.643 18210 9252 1 12 . 1 1 37 37 VAL CB C 37 32.932 32.932 33.956 -1.024 18210 9253 1 12 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.724 0.057 18210 9254 1 12 . 1 1 38 38 CYS C C 38 172.106 172.106 174.410 -2.304 18210 9255 1 12 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.174 -2.956 18210 9256 1 12 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.728 23.229 18210 9257 1 12 . 1 1 39 39 THR N N 39 123.385 123.385 123.009 0.376 18210 9258 1 12 . 1 1 39 39 THR HA H 39 4.998 4.998 4.911 0.087 18210 9259 1 12 . 1 1 39 39 THR C C 39 174.687 174.687 174.046 0.641 18210 9260 1 12 . 1 1 39 39 THR CA C 39 61.514 61.514 62.978 -1.464 18210 9261 1 12 . 1 1 39 39 THR CB C 39 69.880 69.880 69.078 0.802 18210 9262 1 12 . 1 1 39 39 THR H H 39 8.229 8.229 8.603 -0.374 18210 9263 1 12 . 1 1 40 40 VAL N N 40 125.782 125.782 122.281 3.501 18210 9264 1 12 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.721 -0.441 18210 9265 1 12 . 1 1 40 40 VAL C C 40 173.622 173.622 174.100 -0.478 18210 9266 1 12 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.392 1.015 18210 9267 1 12 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.401 -0.601 18210 9268 1 12 . 1 1 40 40 VAL H H 40 8.892 8.892 8.239 0.653 18210 9269 1 12 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.868 0.037 18210 9270 1 12 . 1 1 41 41 LYS C C 41 175.624 175.624 175.917 -0.293 18210 9271 1 12 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.196 -0.949 18210 9272 1 12 . 1 1 41 41 LYS CB C 41 31.902 31.902 34.011 -2.109 18210 9273 1 12 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.583 -0.276 18210 9274 1 12 . 1 1 42 42 ALA C C 42 175.028 175.028 175.342 -0.314 18210 9275 1 12 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.146 0.398 18210 9276 1 12 . 1 1 42 42 ALA CB C 42 22.233 22.233 20.860 1.373 18210 9277 1 12 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.787 -0.008 18210 9278 1 12 . 1 1 43 43 HIS C C 43 172.767 172.767 175.380 -2.613 18210 9279 1 12 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.508 -1.907 18210 9280 1 12 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.876 -2.577 18210 9281 1 12 . 1 1 43 43 HIS H H 43 8.722 8.722 8.620 0.102 18210 9282 1 12 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.131 -0.091 18210 9283 1 12 . 1 1 44 44 ALA C C 44 178.087 178.087 177.548 0.539 18210 9284 1 12 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.240 -0.378 18210 9285 1 12 . 1 1 44 44 ALA CB C 44 19.024 19.024 18.957 0.067 18210 9286 1 12 . 1 1 44 44 ALA H H 44 8.468 8.468 8.034 0.434 18210 9287 1 12 . 1 1 45 45 ASN N N 45 113.483 113.483 113.010 0.473 18210 9288 1 12 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.765 -0.423 18210 9289 1 12 . 1 1 45 45 ASN C C 45 174.441 174.441 174.533 -0.092 18210 9290 1 12 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.259 2.069 18210 9291 1 12 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.318 -0.638 18210 9292 1 12 . 1 1 45 45 ASN H H 45 7.356 7.356 8.512 -1.156 18210 9293 1 12 . 1 1 46 46 ASP N N 46 120.941 120.941 120.265 0.676 18210 9294 1 12 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.757 -0.166 18210 9295 1 12 . 1 1 46 46 ASP C C 46 175.724 175.724 175.915 -0.191 18210 9296 1 12 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.641 1.528 18210 9297 1 12 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.270 0.249 18210 9298 1 12 . 1 1 46 46 ASP H H 46 7.959 7.959 8.247 -0.288 18210 9299 1 12 . 1 1 47 47 LEU N N 47 123.735 123.735 121.504 2.231 18210 9300 1 12 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.414 0.562 18210 9301 1 12 . 1 1 47 47 LEU C C 47 175.735 175.735 176.918 -1.183 18210 9302 1 12 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.908 -0.217 18210 9303 1 12 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.716 0.850 18210 9304 1 12 . 1 1 47 47 LEU H H 47 8.156 8.156 8.548 -0.392 18210 9305 1 12 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.429 0.842 18210 9306 1 12 . 1 1 48 48 ILE C C 48 175.979 175.979 175.421 0.558 18210 9307 1 12 . 1 1 48 48 ILE CA C 48 58.953 58.953 59.358 -0.405 18210 9308 1 12 . 1 1 48 48 ILE CB C 48 44.138 44.138 40.398 3.740 18210 9309 1 12 . 1 1 49 49 GLY N N 49 102.726 102.726 111.922 -9.196 18210 9310 1 12 . 1 1 49 49 GLY C C 49 169.506 169.506 171.909 -2.403 18210 9311 1 12 . 1 1 49 49 GLY CA C 49 48.190 48.190 46.014 2.176 18210 9312 1 12 . 1 1 49 49 GLY H H 49 7.900 7.900 8.562 -0.662 18210 9313 1 12 . 1 1 50 50 PHE N N 50 111.884 111.884 113.631 -1.747 18210 9314 1 12 . 1 1 50 50 PHE HA H 50 3.913 3.913 4.237 -0.324 18210 9315 1 12 . 1 1 50 50 PHE C C 50 171.823 171.823 171.860 -0.037 18210 9316 1 12 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.538 -0.811 18210 9317 1 12 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.333 0.696 18210 9318 1 12 . 1 1 50 50 PHE H H 50 8.248 8.248 7.690 0.558 18210 9319 1 12 . 1 1 51 51 LYS N N 51 117.924 117.924 119.103 -1.179 18210 9320 1 12 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.215 0.169 18210 9321 1 12 . 1 1 51 51 LYS C C 51 176.140 176.140 174.492 1.648 18210 9322 1 12 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.778 -0.357 18210 9323 1 12 . 1 1 51 51 LYS CB C 51 37.920 37.920 36.987 0.933 18210 9324 1 12 . 1 1 51 51 LYS H H 51 7.857 7.857 7.718 0.139 18210 9325 1 12 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.094 -0.073 18210 9326 1 12 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.805 -4.614 18210 9327 1 12 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.157 11.030 18210 9328 1 12 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.439 -0.062 18210 9329 1 12 . 1 1 53 53 PRO C C 53 177.624 177.624 177.016 0.608 18210 9330 1 12 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.141 -0.571 18210 9331 1 12 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.356 -1.100 18210 9332 1 12 . 1 1 54 54 SER HA H 54 4.106 4.106 4.214 -0.108 18210 9333 1 12 . 1 1 54 54 SER C C 54 174.271 174.271 174.870 -0.599 18210 9334 1 12 . 1 1 54 54 SER CA C 54 61.221 61.221 60.375 0.846 18210 9335 1 12 . 1 1 54 54 SER CB C 54 63.243 63.243 63.325 -0.082 18210 9336 1 12 . 1 1 55 55 ASN N N 55 115.116 115.116 117.042 -1.926 18210 9337 1 12 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.800 -0.127 18210 9338 1 12 . 1 1 55 55 ASN C C 55 174.556 174.556 174.773 -0.217 18210 9339 1 12 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.625 0.239 18210 9340 1 12 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.634 -1.710 18210 9341 1 12 . 1 1 55 55 ASN H H 55 8.712 8.712 8.526 0.186 18210 9342 1 12 . 1 1 56 56 TYR N N 56 120.489 120.489 119.542 0.947 18210 9343 1 12 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.600 0.092 18210 9344 1 12 . 1 1 56 56 TYR C C 56 176.019 176.019 175.053 0.966 18210 9345 1 12 . 1 1 56 56 TYR CA C 56 57.469 57.469 57.777 -0.308 18210 9346 1 12 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.083 -2.385 18210 9347 1 12 . 1 1 56 56 TYR H H 56 7.637 7.637 7.646 -0.009 18210 9348 1 12 . 1 1 57 57 SER N N 57 117.381 117.381 116.058 1.323 18210 9349 1 12 . 1 1 57 57 SER HA H 57 4.915 4.915 4.763 0.152 18210 9350 1 12 . 1 1 57 57 SER C C 57 173.649 173.649 173.798 -0.149 18210 9351 1 12 . 1 1 57 57 SER CA C 57 57.586 57.586 56.384 1.202 18210 9352 1 12 . 1 1 57 57 SER CB C 57 64.766 64.766 64.196 0.570 18210 9353 1 12 . 1 1 57 57 SER H H 57 9.323 9.323 8.348 0.975 18210 9354 1 12 . 1 1 58 58 VAL N N 58 125.696 125.696 124.428 1.268 18210 9355 1 12 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.536 0.276 18210 9356 1 12 . 1 1 58 58 VAL C C 58 174.911 174.911 175.302 -0.391 18210 9357 1 12 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.108 0.781 18210 9358 1 12 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.215 0.970 18210 9359 1 12 . 1 1 58 58 VAL H H 58 8.474 8.474 8.768 -0.294 18210 9360 1 12 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.892 -0.232 18210 9361 1 12 . 1 1 59 59 GLU CA C 59 52.599 52.599 53.172 -0.573 18210 9362 1 12 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.006 -0.096 18210 9363 1 12 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.636 0.064 18210 9364 1 12 . 1 1 60 60 PRO C C 60 176.708 176.708 176.576 0.132 18210 9365 1 12 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.132 -0.401 18210 9366 1 12 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.325 1.681 18210 9367 1 12 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.587 -0.224 18210 9368 1 12 . 1 1 61 61 HIS C C 61 174.320 174.320 174.746 -0.426 18210 9369 1 12 . 1 1 61 61 HIS CA C 61 58.473 58.473 57.352 1.121 18210 9370 1 12 . 1 1 61 61 HIS CB C 61 28.515 28.515 30.942 -2.426 18210 9371 1 12 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.696 0.347 18210 9372 1 12 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.092 -1.754 18210 9373 1 12 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.438 -0.928 18210 9374 1 12 . 1 1 63 63 CYS N N 63 120.346 120.346 117.954 2.392 18210 9375 1 12 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.621 -0.398 18210 9376 1 12 . 1 1 63 63 CYS C C 63 171.976 171.976 175.435 -3.459 18210 9377 1 12 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.331 -0.827 18210 9378 1 12 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.817 13.264 18210 9379 1 12 . 1 1 63 63 CYS H H 63 6.446 6.446 8.211 -1.765 18210 9380 1 12 . 1 1 64 64 PHE N N 64 116.155 116.155 116.486 -0.331 18210 9381 1 12 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.478 -0.258 18210 9382 1 12 . 1 1 64 64 PHE C C 64 177.110 177.110 177.247 -0.137 18210 9383 1 12 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.293 0.298 18210 9384 1 12 . 1 1 64 64 PHE CB C 64 41.149 41.149 38.055 3.094 18210 9385 1 12 . 1 1 64 64 PHE H H 64 7.697 7.697 7.465 0.232 18210 9386 1 12 . 1 1 65 65 VAL N N 65 119.794 119.794 119.370 0.424 18210 9387 1 12 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.743 0.222 18210 9388 1 12 . 1 1 65 65 VAL C C 65 176.948 176.948 175.852 1.096 18210 9389 1 12 . 1 1 65 65 VAL CA C 65 66.963 66.963 66.148 0.814 18210 9390 1 12 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.608 -0.524 18210 9391 1 12 . 1 1 65 65 VAL H H 65 8.449 8.449 7.392 1.057 18210 9392 1 12 . 1 1 66 66 SER N N 66 113.648 113.648 109.376 4.272 18210 9393 1 12 . 1 1 66 66 SER HA H 66 5.041 5.041 4.352 0.689 18210 9394 1 12 . 1 1 66 66 SER C C 66 173.905 173.905 172.223 1.682 18210 9395 1 12 . 1 1 66 66 SER CA C 66 56.701 56.701 57.662 -0.961 18210 9396 1 12 . 1 1 66 66 SER CB C 66 65.738 65.738 63.785 1.953 18210 9397 1 12 . 1 1 66 66 SER H H 66 7.706 7.706 7.499 0.207 18210 9398 1 12 . 1 1 67 67 ALA N N 67 115.370 115.370 126.469 -11.099 18210 9399 1 12 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.253 -0.209 18210 9400 1 12 . 1 1 67 67 ALA C C 67 175.316 175.316 174.501 0.815 18210 9401 1 12 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.717 0.406 18210 9402 1 12 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.623 3.204 18210 9403 1 12 . 1 1 67 67 ALA H H 67 9.280 9.280 7.631 1.649 18210 9404 1 12 . 1 1 68 68 PHE N N 68 116.820 116.820 117.643 -0.823 18210 9405 1 12 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.151 -0.152 18210 9406 1 12 . 1 1 68 68 PHE C C 68 176.533 176.533 176.537 -0.004 18210 9407 1 12 . 1 1 68 68 PHE CA C 68 57.538 57.538 57.015 0.523 18210 9408 1 12 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.434 -0.470 18210 9409 1 12 . 1 1 68 68 PHE H H 68 8.520 8.520 8.618 -0.098 18210 9410 1 12 . 1 1 69 69 ASN N N 69 118.203 118.203 121.346 -3.143 18210 9411 1 12 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.818 0.224 18210 9412 1 12 . 1 1 69 69 ASN C C 69 176.820 176.820 177.347 -0.527 18210 9413 1 12 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.485 -1.449 18210 9414 1 12 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.219 0.275 18210 9415 1 12 . 1 1 69 69 ASN H H 69 8.498 8.498 8.863 -0.365 18210 9416 1 12 . 1 1 70 70 LEU N N 70 118.189 118.189 121.034 -2.845 18210 9417 1 12 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.297 -0.018 18210 9418 1 12 . 1 1 70 70 LEU C C 70 178.484 178.484 177.940 0.544 18210 9419 1 12 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.826 -0.062 18210 9420 1 12 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.672 -0.034 18210 9421 1 12 . 1 1 70 70 LEU H H 70 8.514 8.514 8.813 -0.299 18210 9422 1 12 . 1 1 71 71 SER N N 71 113.939 113.939 112.750 1.189 18210 9423 1 12 . 1 1 71 71 SER HA H 71 4.572 4.572 4.480 0.092 18210 9424 1 12 . 1 1 71 71 SER C C 71 174.682 174.682 175.507 -0.825 18210 9425 1 12 . 1 1 71 71 SER CA C 71 58.758 58.758 58.710 0.048 18210 9426 1 12 . 1 1 71 71 SER CB C 71 63.762 63.762 63.454 0.308 18210 9427 1 12 . 1 1 71 71 SER H H 71 8.049 8.049 8.121 -0.072 18210 9428 1 12 . 1 1 72 72 GLY N N 72 109.936 109.936 108.912 1.024 18210 9429 1 12 . 1 1 72 72 GLY C C 72 173.549 173.549 173.610 -0.061 18210 9430 1 12 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.550 0.088 18210 9431 1 12 . 1 1 72 72 GLY H H 72 8.641 8.641 7.996 0.645 18210 9432 1 12 . 1 1 73 73 LYS N N 73 119.884 119.884 118.952 0.932 18210 9433 1 12 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.518 0.035 18210 9434 1 12 . 1 1 73 73 LYS C C 73 175.750 175.750 175.412 0.338 18210 9435 1 12 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.407 0.251 18210 9436 1 12 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.577 0.164 18210 9437 1 12 . 1 1 73 73 LYS H H 73 7.738 7.738 7.860 -0.122 18210 9438 1 12 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.927 -0.407 18210 9439 1 12 . 1 1 74 74 ASN C C 74 174.680 174.680 174.890 -0.210 18210 9440 1 12 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.175 1.057 18210 9441 1 12 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.702 0.625 18210 9442 1 12 . 1 1 75 75 GLU N N 75 124.834 124.834 125.889 -1.055 18210 9443 1 12 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.410 0.188 18210 9444 1 12 . 1 1 75 75 GLU C C 75 174.547 174.547 175.661 -1.114 18210 9445 1 12 . 1 1 75 75 GLU CA C 75 54.887 54.887 54.726 0.161 18210 9446 1 12 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.826 -0.918 18210 9447 1 12 . 1 1 75 75 GLU H H 75 8.835 8.835 8.070 0.765 18210 9448 1 12 . 1 1 76 76 ASN N N 76 121.549 121.549 121.059 0.490 18210 9449 1 12 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.620 0.055 18210 9450 1 12 . 1 1 76 76 ASN C C 76 175.670 175.670 176.012 -0.342 18210 9451 1 12 . 1 1 76 76 ASN CA C 76 54.120 54.120 53.900 0.220 18210 9452 1 12 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.818 0.224 18210 9453 1 12 . 1 1 76 76 ASN H H 76 8.580 8.580 8.735 -0.155 18210 9454 1 12 . 1 1 77 77 LEU N N 77 125.808 125.808 125.019 0.789 18210 9455 1 12 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.566 -0.459 18210 9456 1 12 . 1 1 77 77 LEU C C 77 178.104 178.104 176.845 1.259 18210 9457 1 12 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.044 1.947 18210 9458 1 12 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.465 -0.081 18210 9459 1 12 . 1 1 77 77 LEU H H 77 8.610 8.610 8.524 0.086 18210 9460 1 12 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.267 -0.251 18210 9461 1 12 . 1 1 78 78 GLU C C 78 176.833 176.833 177.580 -0.747 18210 9462 1 12 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.774 0.876 18210 9463 1 12 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.872 0.812 18210 9464 1 12 . 1 1 79 79 ASN N N 79 114.719 114.719 116.985 -2.266 18210 9465 1 12 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.459 0.105 18210 9466 1 12 . 1 1 79 79 ASN C C 79 175.510 175.510 176.548 -1.038 18210 9467 1 12 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.352 -0.960 18210 9468 1 12 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.972 0.746 18210 9469 1 12 . 1 1 79 79 ASN H H 79 8.257 8.257 8.553 -0.296 18210 9470 1 12 . 1 1 80 80 LYS N N 80 118.906 118.906 119.713 -0.807 18210 9471 1 12 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.207 0.086 18210 9472 1 12 . 1 1 80 80 LYS C C 80 175.748 175.748 176.705 -0.957 18210 9473 1 12 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.792 -0.027 18210 9474 1 12 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.223 1.122 18210 9475 1 12 . 1 1 80 80 LYS H H 80 7.818 7.818 7.864 -0.046 18210 9476 1 12 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.334 -0.184 18210 9477 1 12 . 1 1 81 81 LEU C C 81 174.688 174.688 174.830 -0.142 18210 9478 1 12 . 1 1 81 81 LEU CA C 81 54.522 54.522 54.075 0.447 18210 9479 1 12 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.134 -1.071 18210 9480 1 12 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.217 -0.048 18210 9481 1 12 . 1 1 82 82 LYS C C 82 175.701 175.701 175.930 -0.229 18210 9482 1 12 . 1 1 82 82 LYS CA C 82 56.168 56.168 56.052 0.116 18210 9483 1 12 . 1 1 82 82 LYS CB C 82 30.017 30.017 30.969 -0.952 18210 9484 1 12 . 1 1 83 83 LEU N N 83 120.762 120.762 124.651 -3.889 18210 9485 1 12 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.407 0.013 18210 9486 1 12 . 1 1 83 83 LEU C C 83 177.184 177.184 177.627 -0.443 18210 9487 1 12 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.823 0.396 18210 9488 1 12 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.708 -0.397 18210 9489 1 12 . 1 1 83 83 LEU H H 83 7.485 7.485 7.761 -0.276 18210 9490 1 12 . 1 1 84 84 THR N N 84 110.955 110.955 112.663 -1.708 18210 9491 1 12 . 1 1 84 84 THR HA H 84 4.712 4.712 4.587 0.125 18210 9492 1 12 . 1 1 84 84 THR C C 84 173.001 173.001 173.801 -0.800 18210 9493 1 12 . 1 1 84 84 THR CA C 84 59.883 59.883 60.532 -0.649 18210 9494 1 12 . 1 1 84 84 THR CB C 84 71.825 71.825 71.838 -0.013 18210 9495 1 12 . 1 1 84 84 THR H H 84 8.519 8.519 8.358 0.161 18210 9496 1 12 . 1 1 85 85 ASN N N 85 117.589 117.589 117.507 0.082 18210 9497 1 12 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.405 -0.259 18210 9498 1 12 . 1 1 85 85 ASN C C 85 173.572 173.572 174.314 -0.742 18210 9499 1 12 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.857 0.462 18210 9500 1 12 . 1 1 85 85 ASN CB C 85 38.908 38.908 36.872 2.036 18210 9501 1 12 . 1 1 85 85 ASN H H 85 8.850 8.850 8.828 0.022 18210 9502 1 12 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.436 -0.144 18210 9503 1 12 . 1 1 86 86 ILE C C 86 177.346 177.346 175.936 1.410 18210 9504 1 12 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.639 1.168 18210 9505 1 12 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.719 -0.020 18210 9506 1 12 . 1 1 87 87 ILE N N 87 131.807 131.807 129.204 2.603 18210 9507 1 12 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.531 -0.276 18210 9508 1 12 . 1 1 87 87 ILE C C 87 174.493 174.493 174.417 0.076 18210 9509 1 12 . 1 1 87 87 ILE CA C 87 60.152 60.152 59.961 0.191 18210 9510 1 12 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.361 1.748 18210 9511 1 12 . 1 1 87 87 ILE H H 87 9.166 9.166 8.964 0.202 18210 9512 1 12 . 1 1 88 88 MET HA H 88 4.017 4.017 4.658 -0.641 18210 9513 1 12 . 1 1 88 88 MET C C 88 173.613 173.613 174.480 -0.867 18210 9514 1 12 . 1 1 88 88 MET CA C 88 53.287 53.287 54.874 -1.587 18210 9515 1 12 . 1 1 88 88 MET CB C 88 33.478 33.478 34.554 -1.076 18210 9516 1 12 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.913 -0.216 18210 9517 1 12 . 1 1 89 89 ASP C C 89 176.750 176.750 175.985 0.765 18210 9518 1 12 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.858 -0.757 18210 9519 1 12 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.255 -1.064 18210 9520 1 12 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.322 0.119 18210 9521 1 12 . 1 1 90 90 HIS C C 90 175.625 175.625 175.886 -0.261 18210 9522 1 12 . 1 1 90 90 HIS CA C 90 58.254 58.254 59.034 -0.780 18210 9523 1 12 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.449 -1.870 18210 9524 1 12 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.296 0.144 18210 9525 1 12 . 1 1 91 91 TYR C C 91 177.915 177.915 175.568 2.347 18210 9526 1 12 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.014 -0.254 18210 9527 1 12 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.440 -0.373 18210 9528 1 12 . 1 1 92 92 ASN N N 92 113.661 113.661 113.517 0.144 18210 9529 1 12 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.490 0.283 18210 9530 1 12 . 1 1 92 92 ASN C C 92 174.762 174.762 174.696 0.066 18210 9531 1 12 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.662 -0.047 18210 9532 1 12 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.298 0.984 18210 9533 1 12 . 1 1 92 92 ASN H H 92 7.713 7.713 8.373 -0.660 18210 9534 1 12 . 1 1 93 93 ASN N N 93 125.176 125.176 114.437 10.739 18210 9535 1 12 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.268 0.441 18210 9536 1 12 . 1 1 93 93 ASN C C 93 172.729 172.729 173.138 -0.409 18210 9537 1 12 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.346 -1.611 18210 9538 1 12 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.600 1.361 18210 9539 1 12 . 1 1 93 93 ASN H H 93 7.804 7.804 7.839 -0.035 18210 9540 1 12 . 1 1 94 94 THR N N 94 109.900 109.900 112.079 -2.179 18210 9541 1 12 . 1 1 94 94 THR HA H 94 4.852 4.852 4.974 -0.122 18210 9542 1 12 . 1 1 94 94 THR C C 94 170.824 170.824 171.762 -0.938 18210 9543 1 12 . 1 1 94 94 THR CA C 94 61.817 61.817 60.253 1.564 18210 9544 1 12 . 1 1 94 94 THR CB C 94 71.074 71.074 71.333 -0.259 18210 9545 1 12 . 1 1 94 94 THR H H 94 7.654 7.654 7.270 0.384 18210 9546 1 12 . 1 1 95 95 PHE N N 95 126.721 126.721 124.884 1.837 18210 9547 1 12 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.349 -0.241 18210 9548 1 12 . 1 1 95 95 PHE C C 95 174.143 174.143 174.148 -0.005 18210 9549 1 12 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.507 0.062 18210 9550 1 12 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.723 0.070 18210 9551 1 12 . 1 1 95 95 PHE H H 95 8.166 8.166 7.662 0.504 18210 9552 1 12 . 1 1 96 96 TYR N N 96 115.709 115.709 119.627 -3.918 18210 9553 1 12 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.562 0.505 18210 9554 1 12 . 1 1 96 96 TYR C C 96 175.734 175.734 175.170 0.564 18210 9555 1 12 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.595 -0.163 18210 9556 1 12 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.756 1.411 18210 9557 1 12 . 1 1 96 96 TYR H H 96 9.149 9.149 8.650 0.499 18210 9558 1 12 . 1 1 97 97 SER N N 97 109.503 109.503 114.142 -4.639 18210 9559 1 12 . 1 1 97 97 SER HA H 97 4.430 4.430 5.288 -0.858 18210 9560 1 12 . 1 1 97 97 SER C C 97 170.684 170.684 173.225 -2.541 18210 9561 1 12 . 1 1 97 97 SER CA C 97 59.324 59.324 57.710 1.614 18210 9562 1 12 . 1 1 97 97 SER CB C 97 66.341 66.341 66.704 -0.363 18210 9563 1 12 . 1 1 97 97 SER H H 97 8.921 8.921 9.153 -0.232 18210 9564 1 12 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.776 0.618 18210 9565 1 12 . 1 1 98 98 ARG C C 98 175.850 175.850 175.098 0.752 18210 9566 1 12 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.143 0.033 18210 9567 1 12 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.406 0.721 18210 9568 1 12 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.646 -0.316 18210 9569 1 12 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.363 1.443 18210 9570 1 12 . 1 1 99 99 LEU CB C 99 40.903 40.903 41.876 -0.973 18210 9571 1 12 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.353 0.323 18210 9572 1 12 . 1 1 100 100 PRO C C 100 175.744 175.744 176.913 -1.169 18210 9573 1 12 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.034 -0.745 18210 9574 1 12 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.603 0.183 18210 9575 1 12 . 1 1 101 101 SER HA H 101 4.126 4.126 4.371 -0.245 18210 9576 1 12 . 1 1 101 101 SER C C 101 173.214 173.214 174.054 -0.840 18210 9577 1 12 . 1 1 101 101 SER CA C 101 60.265 60.265 59.692 0.573 18210 9578 1 12 . 1 1 101 101 SER CB C 101 63.660 63.660 63.448 0.212 18210 9579 1 12 . 1 1 102 102 LEU N N 102 121.389 121.389 122.274 -0.885 18210 9580 1 12 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.577 -0.045 18210 9581 1 12 . 1 1 102 102 LEU C C 102 175.187 175.187 175.349 -0.162 18210 9582 1 12 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.542 0.144 18210 9583 1 12 . 1 1 102 102 LEU CB C 102 44.380 44.380 43.864 0.516 18210 9584 1 12 . 1 1 102 102 LEU H H 102 7.179 7.179 7.415 -0.236 18210 9585 1 12 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.470 -0.027 18210 9586 1 12 . 1 1 103 103 ILE C C 103 175.490 175.490 175.849 -0.359 18210 9587 1 12 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.582 -1.673 18210 9588 1 12 . 1 1 103 103 ILE CB C 103 39.678 39.678 38.990 0.688 18210 9589 1 12 . 1 1 104 104 SER N N 104 120.807 120.807 120.487 0.320 18210 9590 1 12 . 1 1 104 104 SER HA H 104 4.581 4.581 4.619 -0.038 18210 9591 1 12 . 1 1 104 104 SER C C 104 173.234 173.234 173.818 -0.584 18210 9592 1 12 . 1 1 104 104 SER CA C 104 58.166 58.166 57.965 0.201 18210 9593 1 12 . 1 1 104 104 SER CB C 104 64.341 64.341 64.274 0.067 18210 9594 1 12 . 1 1 104 104 SER H H 104 8.471 8.471 8.355 0.116 18210 9595 1 12 . 1 1 105 105 ASP N N 105 119.103 119.103 122.099 -2.996 18210 9596 1 12 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.772 -0.123 18210 9597 1 12 . 1 1 105 105 ASP C C 105 174.991 174.991 175.612 -0.621 18210 9598 1 12 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.042 -0.308 18210 9599 1 12 . 1 1 105 105 ASP CB C 105 42.477 42.477 42.633 -0.156 18210 9600 1 12 . 1 1 105 105 ASP H H 105 8.060 8.060 7.887 0.173 18210 9601 1 12 . 1 1 106 106 ASN N N 106 116.036 116.036 119.239 -3.203 18210 9602 1 12 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.753 -0.018 18210 9603 1 12 . 1 1 106 106 ASN C C 106 174.308 174.308 175.152 -0.844 18210 9604 1 12 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.818 0.962 18210 9605 1 12 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.481 0.541 18210 9606 1 12 . 1 1 106 106 ASN H H 106 8.389 8.389 8.411 -0.022 18210 9607 1 12 . 1 1 107 107 TRP N N 107 119.645 119.645 120.806 -1.161 18210 9608 1 12 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.624 0.205 18210 9609 1 12 . 1 1 107 107 TRP C C 107 174.949 174.949 175.042 -0.093 18210 9610 1 12 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.883 -0.691 18210 9611 1 12 . 1 1 107 107 TRP CB C 107 32.213 32.213 30.006 2.207 18210 9612 1 12 . 1 1 107 107 TRP H H 107 7.846 7.846 8.146 -0.300 18210 9613 1 12 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.693 0.769 18210 9614 1 12 . 1 1 108 108 LYS C C 108 174.986 174.986 174.368 0.618 18210 9615 1 12 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.027 1.169 18210 9616 1 12 . 1 1 108 108 LYS CB C 108 36.215 36.215 36.309 -0.094 18210 9617 1 12 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.243 0.302 18210 9618 1 12 . 1 1 109 109 PHE C C 109 172.950 172.950 172.506 0.444 18210 9619 1 12 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.522 -0.102 18210 9620 1 12 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.020 -0.129 18210 9621 1 12 . 1 1 110 110 PHE N N 110 115.390 115.390 114.344 1.046 18210 9622 1 12 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.145 0.887 18210 9623 1 12 . 1 1 110 110 PHE C C 110 173.892 173.892 173.656 0.236 18210 9624 1 12 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.442 0.790 18210 9625 1 12 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.941 2.425 18210 9626 1 12 . 1 1 110 110 PHE H H 110 9.267 9.267 7.552 1.715 18210 9627 1 12 . 1 1 111 111 CYS N N 111 116.463 116.463 117.520 -1.057 18210 9628 1 12 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.921 0.140 18210 9629 1 12 . 1 1 111 111 CYS C C 111 171.900 171.900 173.071 -1.171 18210 9630 1 12 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.650 -3.797 18210 9631 1 12 . 1 1 111 111 CYS CB C 111 47.830 47.830 30.992 16.838 18210 9632 1 12 . 1 1 111 111 CYS H H 111 9.274 9.274 8.736 0.538 18210 9633 1 12 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.207 -0.005 18210 9634 1 12 . 1 1 112 112 VAL C C 112 175.041 175.041 174.402 0.639 18210 9635 1 12 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.216 0.227 18210 9636 1 12 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.480 0.097 18210 9637 1 12 . 1 1 112 112 VAL H H 112 9.605 9.605 8.317 1.288 18210 9638 1 12 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.598 0.162 18210 9639 1 12 . 1 1 113 113 CYS C C 113 173.601 173.601 173.796 -0.195 18210 9640 1 12 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.292 -4.471 18210 9641 1 12 . 1 1 113 113 CYS CB C 113 43.946 43.946 28.697 15.249 18210 9642 1 12 . 1 1 114 114 SER N N 114 117.968 117.968 118.382 -0.414 18210 9643 1 12 . 1 1 114 114 SER HA H 114 5.093 5.093 4.999 0.094 18210 9644 1 12 . 1 1 114 114 SER C C 114 172.267 172.267 172.629 -0.362 18210 9645 1 12 . 1 1 114 114 SER CA C 114 56.677 56.677 58.062 -1.385 18210 9646 1 12 . 1 1 114 114 SER CB C 114 66.795 66.795 65.796 0.999 18210 9647 1 12 . 1 1 114 114 SER H H 114 9.250 9.250 9.268 -0.018 18210 9648 1 12 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.478 -0.372 18210 9649 1 12 . 1 1 115 115 LYS C C 115 174.527 174.527 174.403 0.124 18210 9650 1 12 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.188 0.734 18210 9651 1 12 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.218 -2.208 18210 9652 1 12 . 1 1 115 115 LYS H H 115 8.705 8.705 8.312 0.393 18210 9653 1 12 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.510 -0.319 18210 9654 1 12 . 1 1 116 116 ASP C C 116 176.002 176.002 176.696 -0.694 18210 9655 1 12 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.297 1.017 18210 9656 1 12 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.970 -0.523 18210 9657 1 12 . 1 1 117 117 ASN N N 117 116.913 116.913 119.071 -2.158 18210 9658 1 12 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.184 0.255 18210 9659 1 12 . 1 1 117 117 ASN C C 117 174.246 174.246 173.514 0.732 18210 9660 1 12 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.547 -0.114 18210 9661 1 12 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.048 0.134 18210 9662 1 12 . 1 1 117 117 ASN H H 117 8.752 8.752 8.594 0.158 18210 9663 1 12 . 1 1 118 118 GLU N N 118 116.615 116.615 118.060 -1.445 18210 9664 1 12 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.478 0.282 18210 9665 1 12 . 1 1 118 118 GLU C C 118 177.397 177.397 175.776 1.621 18210 9666 1 12 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.433 -1.124 18210 9667 1 12 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.337 -2.246 18210 9668 1 12 . 1 1 118 118 GLU H H 118 7.819 7.819 8.195 -0.376 18210 9669 1 12 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.208 -0.043 18210 9670 1 12 . 1 1 119 119 LYS C C 119 177.626 177.626 176.834 0.792 18210 9671 1 12 . 1 1 119 119 LYS CA C 119 57.540 57.540 56.953 0.587 18210 9672 1 12 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.743 0.102 18210 9673 1 12 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.455 -0.150 18210 9674 1 12 . 1 1 120 120 LYS C C 120 174.312 174.312 175.636 -1.324 18210 9675 1 12 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.724 1.382 18210 9676 1 12 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.923 -0.735 18210 9677 1 12 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.303 0.256 18210 9678 1 12 . 1 1 121 121 LEU C C 121 174.893 174.893 175.095 -0.202 18210 9679 1 12 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.549 -0.945 18210 9680 1 12 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.873 -3.267 18210 9681 1 12 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.677 -0.316 18210 9682 1 12 . 1 1 122 122 VAL C C 122 173.909 173.909 174.382 -0.473 18210 9683 1 12 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.167 0.861 18210 9684 1 12 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.873 -0.279 18210 9685 1 12 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.908 0.267 18210 9686 1 12 . 1 1 123 123 PHE C C 123 173.230 173.230 173.140 0.090 18210 9687 1 12 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.011 0.303 18210 9688 1 12 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.943 -1.111 18210 9689 1 12 . 1 1 124 124 THR N N 124 121.688 121.688 123.358 -1.670 18210 9690 1 12 . 1 1 124 124 THR HA H 124 4.885 4.885 4.680 0.205 18210 9691 1 12 . 1 1 124 124 THR C C 124 170.874 170.874 172.189 -1.315 18210 9692 1 12 . 1 1 124 124 THR CA C 124 60.087 60.087 59.749 0.338 18210 9693 1 12 . 1 1 124 124 THR CB C 124 70.942 70.942 71.329 -0.387 18210 9694 1 12 . 1 1 124 124 THR H H 124 8.493 8.493 8.254 0.239 18210 9695 1 12 . 1 1 125 125 VAL N N 125 125.781 125.781 121.277 4.504 18210 9696 1 12 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.119 -0.603 18210 9697 1 12 . 1 1 125 125 VAL C C 125 173.796 173.796 172.849 0.947 18210 9698 1 12 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.368 1.424 18210 9699 1 12 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.331 -2.096 18210 9700 1 12 . 1 1 125 125 VAL H H 125 8.275 8.275 7.802 0.473 18210 9701 1 12 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.821 0.068 18210 9702 1 12 . 1 1 126 126 GLU C C 126 173.519 173.519 174.322 -0.803 18210 9703 1 12 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.136 -0.170 18210 9704 1 12 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.679 -0.717 18210 9705 1 12 . 1 1 126 126 GLU H H 126 8.262 8.262 7.901 0.361 18210 9706 1 13 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.331 -0.162 18210 9707 1 13 . 1 1 2 2 LYS C C 2 176.160 176.160 176.328 -0.168 18210 9708 1 13 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.648 0.317 18210 9709 1 13 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.016 0.249 18210 9710 1 13 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.057 -0.144 18210 9711 1 13 . 1 1 3 3 VAL C C 3 175.820 175.820 175.463 0.357 18210 9712 1 13 . 1 1 3 3 VAL CA C 3 62.488 62.488 62.682 -0.194 18210 9713 1 13 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.416 0.364 18210 9714 1 13 . 1 1 4 4 LYS N N 4 129.029 129.029 127.505 1.524 18210 9715 1 13 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.615 -0.108 18210 9716 1 13 . 1 1 4 4 LYS C C 4 174.923 174.923 176.562 -1.639 18210 9717 1 13 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.264 1.039 18210 9718 1 13 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.776 -0.525 18210 9719 1 13 . 1 1 4 4 LYS H H 4 8.507 8.507 8.208 0.299 18210 9720 1 13 . 1 1 5 5 GLY N N 5 110.242 110.242 109.679 0.563 18210 9721 1 13 . 1 1 5 5 GLY C C 5 173.333 173.333 171.712 1.621 18210 9722 1 13 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.427 0.837 18210 9723 1 13 . 1 1 5 5 GLY H H 5 8.138 8.138 8.143 -0.005 18210 9724 1 13 . 1 1 6 6 CYS N N 6 114.306 114.306 119.726 -5.420 18210 9725 1 13 . 1 1 6 6 CYS HA H 6 5.251 5.251 4.973 0.278 18210 9726 1 13 . 1 1 6 6 CYS C C 6 170.891 170.891 172.859 -1.968 18210 9727 1 13 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.603 -2.753 18210 9728 1 13 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.409 21.741 18210 9729 1 13 . 1 1 6 6 CYS H H 6 6.750 6.750 8.204 -1.454 18210 9730 1 13 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.977 -0.229 18210 9731 1 13 . 1 1 7 7 ASP C C 7 175.607 175.607 175.601 0.006 18210 9732 1 13 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.783 -0.545 18210 9733 1 13 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.252 -0.635 18210 9734 1 13 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.546 0.331 18210 9735 1 13 . 1 1 8 8 PHE C C 8 173.972 173.972 175.767 -1.795 18210 9736 1 13 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.715 0.740 18210 9737 1 13 . 1 1 8 8 PHE CB C 8 39.219 39.219 39.148 0.071 18210 9738 1 13 . 1 1 9 9 THR N N 9 105.421 105.421 111.779 -6.358 18210 9739 1 13 . 1 1 9 9 THR HA H 9 4.611 4.611 4.472 0.139 18210 9740 1 13 . 1 1 9 9 THR C C 9 174.505 174.505 174.605 -0.100 18210 9741 1 13 . 1 1 9 9 THR CA C 9 61.988 61.988 62.623 -0.635 18210 9742 1 13 . 1 1 9 9 THR CB C 9 70.385 70.385 70.198 0.187 18210 9743 1 13 . 1 1 9 9 THR H H 9 8.996 8.996 8.152 0.844 18210 9744 1 13 . 1 1 10 10 THR N N 10 118.757 118.757 117.815 0.942 18210 9745 1 13 . 1 1 10 10 THR HA H 10 4.526 4.526 4.653 -0.127 18210 9746 1 13 . 1 1 10 10 THR C C 10 171.202 171.202 174.370 -3.168 18210 9747 1 13 . 1 1 10 10 THR CA C 10 60.774 60.774 61.006 -0.232 18210 9748 1 13 . 1 1 10 10 THR CB C 10 68.040 68.040 71.330 -3.290 18210 9749 1 13 . 1 1 10 10 THR H H 10 7.199 7.199 7.841 -0.642 18210 9750 1 13 . 1 1 11 11 SER N N 11 117.117 117.117 119.773 -2.656 18210 9751 1 13 . 1 1 11 11 SER HA H 11 3.907 3.907 4.302 -0.395 18210 9752 1 13 . 1 1 11 11 SER C C 11 174.988 174.988 174.732 0.256 18210 9753 1 13 . 1 1 11 11 SER CA C 11 59.563 59.563 60.354 -0.791 18210 9754 1 13 . 1 1 11 11 SER CB C 11 63.599 63.599 63.430 0.169 18210 9755 1 13 . 1 1 11 11 SER H H 11 7.997 7.997 8.783 -0.786 18210 9756 1 13 . 1 1 12 12 GLU N N 12 125.013 125.013 120.253 4.760 18210 9757 1 13 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.501 0.064 18210 9758 1 13 . 1 1 12 12 GLU C C 12 175.108 175.108 175.249 -0.141 18210 9759 1 13 . 1 1 12 12 GLU CA C 12 54.259 54.259 54.806 -0.547 18210 9760 1 13 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.531 0.397 18210 9761 1 13 . 1 1 12 12 GLU H H 12 8.375 8.375 8.276 0.099 18210 9762 1 13 . 1 1 13 13 SER N N 13 114.959 114.959 117.775 -2.816 18210 9763 1 13 . 1 1 13 13 SER HA H 13 4.130 4.130 4.541 -0.411 18210 9764 1 13 . 1 1 13 13 SER C C 13 176.833 176.833 174.854 1.979 18210 9765 1 13 . 1 1 13 13 SER CA C 13 58.707 58.707 59.238 -0.531 18210 9766 1 13 . 1 1 13 13 SER CB C 13 63.598 63.598 64.307 -0.709 18210 9767 1 13 . 1 1 13 13 SER H H 13 7.879 7.879 8.433 -0.554 18210 9768 1 13 . 1 1 14 14 THR N N 14 117.688 117.688 114.256 3.432 18210 9769 1 13 . 1 1 14 14 THR HA H 14 4.348 4.348 4.447 -0.099 18210 9770 1 13 . 1 1 14 14 THR C C 14 174.550 174.550 174.826 -0.276 18210 9771 1 13 . 1 1 14 14 THR CA C 14 62.435 62.435 62.690 -0.255 18210 9772 1 13 . 1 1 14 14 THR CB C 14 69.114 69.114 68.973 0.141 18210 9773 1 13 . 1 1 14 14 THR H H 14 8.978 8.978 8.588 0.391 18210 9774 1 13 . 1 1 15 15 ILE N N 15 118.851 118.851 111.879 6.972 18210 9775 1 13 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.322 -0.284 18210 9776 1 13 . 1 1 15 15 ILE C C 15 175.389 175.389 173.318 2.071 18210 9777 1 13 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.835 1.865 18210 9778 1 13 . 1 1 15 15 ILE CB C 15 41.447 41.447 38.409 3.038 18210 9779 1 13 . 1 1 15 15 ILE H H 15 7.947 7.947 7.456 0.491 18210 9780 1 13 . 1 1 16 16 PHE N N 16 116.409 116.409 120.030 -3.621 18210 9781 1 13 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.623 -0.105 18210 9782 1 13 . 1 1 16 16 PHE C C 16 176.700 176.700 177.128 -0.428 18210 9783 1 13 . 1 1 16 16 PHE CA C 16 57.462 57.462 55.813 1.649 18210 9784 1 13 . 1 1 16 16 PHE CB C 16 42.712 42.712 41.955 0.757 18210 9785 1 13 . 1 1 16 16 PHE H H 16 7.792 7.792 7.631 0.161 18210 9786 1 13 . 1 1 17 17 SER N N 17 114.126 114.126 117.792 -3.666 18210 9787 1 13 . 1 1 17 17 SER HA H 17 3.984 3.984 4.374 -0.390 18210 9788 1 13 . 1 1 17 17 SER C C 17 174.203 174.203 174.954 -0.751 18210 9789 1 13 . 1 1 17 17 SER CA C 17 61.176 61.176 60.723 0.453 18210 9790 1 13 . 1 1 17 17 SER CB C 17 63.438 63.438 63.782 -0.344 18210 9791 1 13 . 1 1 17 17 SER H H 17 8.666 8.666 8.671 -0.005 18210 9792 1 13 . 1 1 18 18 LYS N N 18 122.828 122.828 121.359 1.469 18210 9793 1 13 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.501 0.257 18210 9794 1 13 . 1 1 18 18 LYS C C 18 174.029 174.029 174.882 -0.853 18210 9795 1 13 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.670 -0.009 18210 9796 1 13 . 1 1 18 18 LYS CB C 18 35.049 35.049 36.114 -1.065 18210 9797 1 13 . 1 1 18 18 LYS H H 18 8.031 8.031 7.374 0.657 18210 9798 1 13 . 1 1 19 19 GLY N N 19 112.051 112.051 108.672 3.379 18210 9799 1 13 . 1 1 19 19 GLY C C 19 172.307 172.307 172.660 -0.353 18210 9800 1 13 . 1 1 19 19 GLY CA C 19 44.946 44.946 44.948 -0.002 18210 9801 1 13 . 1 1 19 19 GLY H H 19 8.092 8.092 8.044 0.048 18210 9802 1 13 . 1 1 20 20 TYR N N 20 120.060 120.060 120.117 -0.057 18210 9803 1 13 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.694 -0.124 18210 9804 1 13 . 1 1 20 20 TYR C C 20 173.557 173.557 174.393 -0.836 18210 9805 1 13 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.414 0.098 18210 9806 1 13 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.185 0.906 18210 9807 1 13 . 1 1 20 20 TYR H H 20 7.968 7.968 8.873 -0.905 18210 9808 1 13 . 1 1 21 21 SER N N 21 115.201 115.201 115.527 -0.326 18210 9809 1 13 . 1 1 21 21 SER HA H 21 4.562 4.562 4.677 -0.115 18210 9810 1 13 . 1 1 21 21 SER C C 21 176.172 176.172 175.994 0.178 18210 9811 1 13 . 1 1 21 21 SER CA C 21 56.537 56.537 55.698 0.839 18210 9812 1 13 . 1 1 21 21 SER CB C 21 65.257 65.257 64.872 0.385 18210 9813 1 13 . 1 1 21 21 SER H H 21 8.761 8.761 8.399 0.362 18210 9814 1 13 . 1 1 22 22 ILE N N 22 122.867 122.867 120.181 2.686 18210 9815 1 13 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.969 0.190 18210 9816 1 13 . 1 1 22 22 ILE C C 22 177.561 177.561 176.337 1.224 18210 9817 1 13 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.334 -0.621 18210 9818 1 13 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.835 0.020 18210 9819 1 13 . 1 1 22 22 ILE H H 22 8.646 8.646 8.623 0.023 18210 9820 1 13 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.641 -0.096 18210 9821 1 13 . 1 1 23 23 ASN C C 23 176.647 176.647 177.289 -0.642 18210 9822 1 13 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.805 -0.299 18210 9823 1 13 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.577 -0.124 18210 9824 1 13 . 1 1 24 24 GLU N N 24 118.601 118.601 118.720 -0.119 18210 9825 1 13 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.141 0.145 18210 9826 1 13 . 1 1 24 24 GLU C C 24 177.998 177.998 177.907 0.091 18210 9827 1 13 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.282 -0.976 18210 9828 1 13 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.013 1.645 18210 9829 1 13 . 1 1 24 24 GLU H H 24 7.837 7.837 8.583 -0.746 18210 9830 1 13 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.154 0.019 18210 9831 1 13 . 1 1 25 25 ILE C C 25 176.641 176.641 176.723 -0.082 18210 9832 1 13 . 1 1 25 25 ILE CA C 25 62.612 62.612 62.616 -0.004 18210 9833 1 13 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.094 0.266 18210 9834 1 13 . 1 1 26 26 SER N N 26 116.293 116.293 115.753 0.540 18210 9835 1 13 . 1 1 26 26 SER HA H 26 4.663 4.663 4.540 0.123 18210 9836 1 13 . 1 1 26 26 SER C C 26 174.462 174.462 174.541 -0.079 18210 9837 1 13 . 1 1 26 26 SER CA C 26 58.392 58.392 58.342 0.050 18210 9838 1 13 . 1 1 26 26 SER CB C 26 64.380 64.380 64.725 -0.345 18210 9839 1 13 . 1 1 26 26 SER H H 26 7.813 7.813 8.243 -0.430 18210 9840 1 13 . 1 1 27 27 ASN N N 27 121.919 121.919 122.521 -0.602 18210 9841 1 13 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.382 0.339 18210 9842 1 13 . 1 1 27 27 ASN C C 27 175.869 175.869 175.152 0.717 18210 9843 1 13 . 1 1 27 27 ASN CA C 27 54.010 54.010 52.933 1.077 18210 9844 1 13 . 1 1 27 27 ASN CB C 27 38.640 38.640 36.438 2.202 18210 9845 1 13 . 1 1 27 27 ASN H H 27 8.521 8.521 8.583 -0.062 18210 9846 1 13 . 1 1 28 28 LYS N N 28 121.697 121.697 124.468 -2.771 18210 9847 1 13 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.062 0.298 18210 9848 1 13 . 1 1 28 28 LYS C C 28 176.952 176.952 175.958 0.994 18210 9849 1 13 . 1 1 28 28 LYS CA C 28 56.967 56.967 57.464 -0.497 18210 9850 1 13 . 1 1 28 28 LYS CB C 28 32.730 32.730 31.240 1.490 18210 9851 1 13 . 1 1 28 28 LYS H H 28 8.367 8.367 8.715 -0.348 18210 9852 1 13 . 1 1 29 29 SER HA H 29 4.498 4.498 4.563 -0.065 18210 9853 1 13 . 1 1 29 29 SER C C 29 174.741 174.741 174.672 0.069 18210 9854 1 13 . 1 1 29 29 SER CA C 29 58.557 58.557 57.330 1.227 18210 9855 1 13 . 1 1 29 29 SER CB C 29 63.945 63.945 64.063 -0.118 18210 9856 1 13 . 1 1 30 30 SER N N 30 116.470 116.470 118.627 -2.157 18210 9857 1 13 . 1 1 30 30 SER HA H 30 4.429 4.429 4.427 0.002 18210 9858 1 13 . 1 1 30 30 SER C C 30 174.467 174.467 175.481 -1.014 18210 9859 1 13 . 1 1 30 30 SER CA C 30 58.616 58.616 57.952 0.664 18210 9860 1 13 . 1 1 30 30 SER CB C 30 63.834 63.834 64.171 -0.337 18210 9861 1 13 . 1 1 30 30 SER H H 30 8.140 8.140 8.363 -0.223 18210 9862 1 13 . 1 1 31 31 ASN N N 31 119.457 119.457 119.078 0.379 18210 9863 1 13 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.429 0.268 18210 9864 1 13 . 1 1 31 31 ASN C C 31 174.930 174.930 176.567 -1.637 18210 9865 1 13 . 1 1 31 31 ASN CA C 31 53.583 53.583 55.277 -1.694 18210 9866 1 13 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.075 0.658 18210 9867 1 13 . 1 1 31 31 ASN H H 31 8.354 8.354 8.803 -0.449 18210 9868 1 13 . 1 1 32 32 ASN N N 32 118.038 118.038 117.192 0.846 18210 9869 1 13 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.651 0.047 18210 9870 1 13 . 1 1 32 32 ASN C C 32 174.979 174.979 175.481 -0.502 18210 9871 1 13 . 1 1 32 32 ASN CA C 32 53.580 53.580 54.168 -0.588 18210 9872 1 13 . 1 1 32 32 ASN CB C 32 38.810 38.810 37.880 0.930 18210 9873 1 13 . 1 1 32 32 ASN H H 32 8.218 8.218 7.770 0.448 18210 9874 1 13 . 1 1 33 33 GLN N N 33 119.603 119.603 115.103 4.500 18210 9875 1 13 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.334 0.019 18210 9876 1 13 . 1 1 33 33 GLN C C 33 175.735 175.735 176.206 -0.471 18210 9877 1 13 . 1 1 33 33 GLN CA C 33 55.883 55.883 57.422 -1.539 18210 9878 1 13 . 1 1 33 33 GLN CB C 33 29.131 29.131 29.592 -0.461 18210 9879 1 13 . 1 1 33 33 GLN H H 33 8.337 8.337 7.934 0.403 18210 9880 1 13 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.450 -0.172 18210 9881 1 13 . 1 1 34 34 GLN C C 34 175.170 175.170 175.912 -0.742 18210 9882 1 13 . 1 1 34 34 GLN CA C 34 56.102 56.102 56.291 -0.189 18210 9883 1 13 . 1 1 34 34 GLN CB C 34 29.870 29.870 31.688 -1.818 18210 9884 1 13 . 1 1 34 34 GLN H H 34 8.087 8.087 7.966 0.121 18210 9885 1 13 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.202 -0.482 18210 9886 1 13 . 1 1 35 35 ASP C C 35 175.810 175.810 175.256 0.554 18210 9887 1 13 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.853 0.439 18210 9888 1 13 . 1 1 35 35 ASP CB C 35 41.462 41.462 43.915 -2.453 18210 9889 1 13 . 1 1 35 35 ASP H H 35 8.033 8.033 7.752 0.281 18210 9890 1 13 . 1 1 36 36 ILE N N 36 122.378 122.378 125.237 -2.859 18210 9891 1 13 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.125 -0.061 18210 9892 1 13 . 1 1 36 36 ILE C C 36 173.823 173.823 174.705 -0.882 18210 9893 1 13 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.796 0.710 18210 9894 1 13 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.413 0.299 18210 9895 1 13 . 1 1 36 36 ILE H H 36 8.421 8.421 8.374 0.047 18210 9896 1 13 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.759 -0.252 18210 9897 1 13 . 1 1 37 37 VAL C C 37 174.956 174.956 175.493 -0.537 18210 9898 1 13 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.859 0.676 18210 9899 1 13 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.144 -1.212 18210 9900 1 13 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.683 0.098 18210 9901 1 13 . 1 1 38 38 CYS C C 38 172.106 172.106 174.473 -2.367 18210 9902 1 13 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.210 -2.992 18210 9903 1 13 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.550 23.407 18210 9904 1 13 . 1 1 39 39 THR N N 39 123.385 123.385 123.110 0.275 18210 9905 1 13 . 1 1 39 39 THR HA H 39 4.998 4.998 4.784 0.214 18210 9906 1 13 . 1 1 39 39 THR C C 39 174.687 174.687 173.871 0.816 18210 9907 1 13 . 1 1 39 39 THR CA C 39 61.514 61.514 62.346 -0.832 18210 9908 1 13 . 1 1 39 39 THR CB C 39 69.880 69.880 69.048 0.832 18210 9909 1 13 . 1 1 39 39 THR H H 39 8.229 8.229 8.624 -0.395 18210 9910 1 13 . 1 1 40 40 VAL N N 40 125.782 125.782 121.469 4.313 18210 9911 1 13 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.676 -0.396 18210 9912 1 13 . 1 1 40 40 VAL C C 40 173.622 173.622 173.945 -0.323 18210 9913 1 13 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.685 0.722 18210 9914 1 13 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.439 -0.639 18210 9915 1 13 . 1 1 40 40 VAL H H 40 8.892 8.892 7.880 1.012 18210 9916 1 13 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.611 0.294 18210 9917 1 13 . 1 1 41 41 LYS C C 41 175.624 175.624 175.996 -0.372 18210 9918 1 13 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.574 -1.327 18210 9919 1 13 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.090 -1.188 18210 9920 1 13 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.680 -0.373 18210 9921 1 13 . 1 1 42 42 ALA C C 42 175.028 175.028 175.438 -0.410 18210 9922 1 13 . 1 1 42 42 ALA CA C 42 51.544 51.544 50.993 0.551 18210 9923 1 13 . 1 1 42 42 ALA CB C 42 22.233 22.233 20.820 1.413 18210 9924 1 13 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.641 0.138 18210 9925 1 13 . 1 1 43 43 HIS C C 43 172.767 172.767 176.594 -3.827 18210 9926 1 13 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.726 -2.125 18210 9927 1 13 . 1 1 43 43 HIS CB C 43 31.299 31.299 32.383 -1.084 18210 9928 1 13 . 1 1 43 43 HIS H H 43 8.722 8.722 8.282 0.440 18210 9929 1 13 . 1 1 44 44 ALA HA H 44 4.040 4.040 3.954 0.086 18210 9930 1 13 . 1 1 44 44 ALA C C 44 178.087 178.087 177.769 0.318 18210 9931 1 13 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.895 -1.033 18210 9932 1 13 . 1 1 44 44 ALA CB C 44 19.024 19.024 18.833 0.191 18210 9933 1 13 . 1 1 44 44 ALA H H 44 8.468 8.468 8.210 0.258 18210 9934 1 13 . 1 1 45 45 ASN N N 45 113.483 113.483 111.413 2.070 18210 9935 1 13 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.696 -0.354 18210 9936 1 13 . 1 1 45 45 ASN C C 45 174.441 174.441 174.762 -0.321 18210 9937 1 13 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.285 2.043 18210 9938 1 13 . 1 1 45 45 ASN CB C 45 38.679 38.679 38.839 -0.160 18210 9939 1 13 . 1 1 45 45 ASN H H 45 7.356 7.356 8.382 -1.026 18210 9940 1 13 . 1 1 46 46 ASP N N 46 120.941 120.941 121.228 -0.287 18210 9941 1 13 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.760 -0.169 18210 9942 1 13 . 1 1 46 46 ASP C C 46 175.724 175.724 175.832 -0.108 18210 9943 1 13 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.238 1.931 18210 9944 1 13 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.590 -0.071 18210 9945 1 13 . 1 1 46 46 ASP H H 46 7.959 7.959 8.054 -0.095 18210 9946 1 13 . 1 1 47 47 LEU N N 47 123.735 123.735 121.608 2.127 18210 9947 1 13 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.423 0.553 18210 9948 1 13 . 1 1 47 47 LEU C C 47 175.735 175.735 176.989 -1.254 18210 9949 1 13 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.947 -0.256 18210 9950 1 13 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.624 0.942 18210 9951 1 13 . 1 1 47 47 LEU H H 47 8.156 8.156 8.548 -0.392 18210 9952 1 13 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.622 0.649 18210 9953 1 13 . 1 1 48 48 ILE C C 48 175.979 175.979 175.406 0.573 18210 9954 1 13 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.966 -0.013 18210 9955 1 13 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.258 2.880 18210 9956 1 13 . 1 1 49 49 GLY N N 49 102.726 102.726 111.002 -8.276 18210 9957 1 13 . 1 1 49 49 GLY C C 49 169.506 169.506 171.768 -2.262 18210 9958 1 13 . 1 1 49 49 GLY CA C 49 48.190 48.190 45.910 2.280 18210 9959 1 13 . 1 1 49 49 GLY H H 49 7.900 7.900 8.455 -0.555 18210 9960 1 13 . 1 1 50 50 PHE N N 50 111.884 111.884 113.404 -1.520 18210 9961 1 13 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.880 0.033 18210 9962 1 13 . 1 1 50 50 PHE C C 50 171.823 171.823 171.989 -0.166 18210 9963 1 13 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.599 -0.872 18210 9964 1 13 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.672 0.357 18210 9965 1 13 . 1 1 50 50 PHE H H 50 8.248 8.248 7.812 0.436 18210 9966 1 13 . 1 1 51 51 LYS N N 51 117.924 117.924 119.192 -1.268 18210 9967 1 13 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.273 0.111 18210 9968 1 13 . 1 1 51 51 LYS C C 51 176.140 176.140 174.488 1.652 18210 9969 1 13 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.989 -0.568 18210 9970 1 13 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.254 0.666 18210 9971 1 13 . 1 1 51 51 LYS H H 51 7.857 7.857 7.832 0.025 18210 9972 1 13 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.206 -0.185 18210 9973 1 13 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.237 -4.046 18210 9974 1 13 . 1 1 52 52 CYS CB C 52 41.187 41.187 29.227 11.960 18210 9975 1 13 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.406 -0.029 18210 9976 1 13 . 1 1 53 53 PRO C C 53 177.624 177.624 177.137 0.487 18210 9977 1 13 . 1 1 53 53 PRO CA C 53 62.570 62.570 62.903 -0.333 18210 9978 1 13 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.458 -1.202 18210 9979 1 13 . 1 1 54 54 SER HA H 54 4.106 4.106 4.270 -0.164 18210 9980 1 13 . 1 1 54 54 SER C C 54 174.271 174.271 175.052 -0.781 18210 9981 1 13 . 1 1 54 54 SER CA C 54 61.221 61.221 59.953 1.268 18210 9982 1 13 . 1 1 54 54 SER CB C 54 63.243 63.243 63.029 0.214 18210 9983 1 13 . 1 1 55 55 ASN N N 55 115.116 115.116 117.056 -1.940 18210 9984 1 13 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.824 -0.151 18210 9985 1 13 . 1 1 55 55 ASN C C 55 174.556 174.556 174.350 0.206 18210 9986 1 13 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.690 0.174 18210 9987 1 13 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.738 -1.814 18210 9988 1 13 . 1 1 55 55 ASN H H 55 8.712 8.712 8.429 0.283 18210 9989 1 13 . 1 1 56 56 TYR N N 56 120.489 120.489 119.057 1.432 18210 9990 1 13 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.589 0.103 18210 9991 1 13 . 1 1 56 56 TYR C C 56 176.019 176.019 175.102 0.917 18210 9992 1 13 . 1 1 56 56 TYR CA C 56 57.469 57.469 58.258 -0.789 18210 9993 1 13 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.195 -2.497 18210 9994 1 13 . 1 1 56 56 TYR H H 56 7.637 7.637 7.764 -0.127 18210 9995 1 13 . 1 1 57 57 SER N N 57 117.381 117.381 115.617 1.764 18210 9996 1 13 . 1 1 57 57 SER HA H 57 4.915 4.915 4.800 0.115 18210 9997 1 13 . 1 1 57 57 SER C C 57 173.649 173.649 173.858 -0.209 18210 9998 1 13 . 1 1 57 57 SER CA C 57 57.586 57.586 56.845 0.741 18210 9999 1 13 . 1 1 57 57 SER CB C 57 64.766 64.766 64.168 0.598 18210 10000 1 13 . 1 1 57 57 SER H H 57 9.323 9.323 8.380 0.943 18210 10001 1 13 . 1 1 58 58 VAL N N 58 125.696 125.696 122.854 2.842 18210 10002 1 13 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.539 0.273 18210 10003 1 13 . 1 1 58 58 VAL C C 58 174.911 174.911 175.492 -0.581 18210 10004 1 13 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.570 0.319 18210 10005 1 13 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.733 0.452 18210 10006 1 13 . 1 1 58 58 VAL H H 58 8.474 8.474 8.755 -0.281 18210 10007 1 13 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.966 -0.306 18210 10008 1 13 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.785 -0.186 18210 10009 1 13 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.278 -0.368 18210 10010 1 13 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.619 0.081 18210 10011 1 13 . 1 1 60 60 PRO C C 60 176.708 176.708 176.419 0.289 18210 10012 1 13 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.015 -0.284 18210 10013 1 13 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.630 1.376 18210 10014 1 13 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.618 -0.255 18210 10015 1 13 . 1 1 61 61 HIS C C 61 174.320 174.320 174.745 -0.425 18210 10016 1 13 . 1 1 61 61 HIS CA C 61 58.473 58.473 58.056 0.416 18210 10017 1 13 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.042 -2.527 18210 10018 1 13 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.707 0.336 18210 10019 1 13 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.242 -1.904 18210 10020 1 13 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.453 -0.944 18210 10021 1 13 . 1 1 63 63 CYS N N 63 120.346 120.346 117.971 2.375 18210 10022 1 13 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.636 -0.413 18210 10023 1 13 . 1 1 63 63 CYS C C 63 171.976 171.976 175.593 -3.617 18210 10024 1 13 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.516 -1.012 18210 10025 1 13 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.781 13.300 18210 10026 1 13 . 1 1 63 63 CYS H H 63 6.446 6.446 8.222 -1.776 18210 10027 1 13 . 1 1 64 64 PHE N N 64 116.155 116.155 117.620 -1.465 18210 10028 1 13 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.459 -0.239 18210 10029 1 13 . 1 1 64 64 PHE C C 64 177.110 177.110 176.904 0.206 18210 10030 1 13 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.521 0.070 18210 10031 1 13 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.995 3.154 18210 10032 1 13 . 1 1 64 64 PHE H H 64 7.697 7.697 7.621 0.076 18210 10033 1 13 . 1 1 65 65 VAL N N 65 119.794 119.794 119.880 -0.086 18210 10034 1 13 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.746 0.219 18210 10035 1 13 . 1 1 65 65 VAL C C 65 176.948 176.948 176.265 0.683 18210 10036 1 13 . 1 1 65 65 VAL CA C 65 66.963 66.963 66.228 0.735 18210 10037 1 13 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.817 -0.733 18210 10038 1 13 . 1 1 65 65 VAL H H 65 8.449 8.449 7.205 1.244 18210 10039 1 13 . 1 1 66 66 SER N N 66 113.648 113.648 110.701 2.947 18210 10040 1 13 . 1 1 66 66 SER HA H 66 5.041 5.041 4.412 0.629 18210 10041 1 13 . 1 1 66 66 SER C C 66 173.905 173.905 172.416 1.489 18210 10042 1 13 . 1 1 66 66 SER CA C 66 56.701 56.701 57.252 -0.551 18210 10043 1 13 . 1 1 66 66 SER CB C 66 65.738 65.738 63.742 1.996 18210 10044 1 13 . 1 1 66 66 SER H H 66 7.706 7.706 7.715 -0.009 18210 10045 1 13 . 1 1 67 67 ALA N N 67 115.370 115.370 127.216 -11.846 18210 10046 1 13 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.216 -0.172 18210 10047 1 13 . 1 1 67 67 ALA C C 67 175.316 175.316 174.617 0.699 18210 10048 1 13 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.591 0.531 18210 10049 1 13 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.538 3.288 18210 10050 1 13 . 1 1 67 67 ALA H H 67 9.280 9.280 7.562 1.718 18210 10051 1 13 . 1 1 68 68 PHE N N 68 116.820 116.820 117.356 -0.536 18210 10052 1 13 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.172 -0.173 18210 10053 1 13 . 1 1 68 68 PHE C C 68 176.533 176.533 176.485 0.048 18210 10054 1 13 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.933 0.605 18210 10055 1 13 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.619 -0.655 18210 10056 1 13 . 1 1 68 68 PHE H H 68 8.520 8.520 8.551 -0.031 18210 10057 1 13 . 1 1 69 69 ASN N N 69 118.203 118.203 120.993 -2.790 18210 10058 1 13 . 1 1 69 69 ASN HA H 69 5.042 5.042 5.161 -0.119 18210 10059 1 13 . 1 1 69 69 ASN C C 69 176.820 176.820 177.437 -0.617 18210 10060 1 13 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.258 -1.222 18210 10061 1 13 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.447 0.047 18210 10062 1 13 . 1 1 69 69 ASN H H 69 8.498 8.498 8.765 -0.267 18210 10063 1 13 . 1 1 70 70 LEU N N 70 118.189 118.189 121.129 -2.940 18210 10064 1 13 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.381 -0.102 18210 10065 1 13 . 1 1 70 70 LEU C C 70 178.484 178.484 178.052 0.432 18210 10066 1 13 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.896 -0.132 18210 10067 1 13 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.814 -0.176 18210 10068 1 13 . 1 1 70 70 LEU H H 70 8.514 8.514 8.956 -0.442 18210 10069 1 13 . 1 1 71 71 SER N N 71 113.939 113.939 113.231 0.708 18210 10070 1 13 . 1 1 71 71 SER HA H 71 4.572 4.572 4.490 0.082 18210 10071 1 13 . 1 1 71 71 SER C C 71 174.682 174.682 175.091 -0.409 18210 10072 1 13 . 1 1 71 71 SER CA C 71 58.758 58.758 58.583 0.175 18210 10073 1 13 . 1 1 71 71 SER CB C 71 63.762 63.762 63.375 0.387 18210 10074 1 13 . 1 1 71 71 SER H H 71 8.049 8.049 7.950 0.099 18210 10075 1 13 . 1 1 72 72 GLY N N 72 109.936 109.936 108.615 1.321 18210 10076 1 13 . 1 1 72 72 GLY C C 72 173.549 173.549 173.472 0.077 18210 10077 1 13 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.546 0.092 18210 10078 1 13 . 1 1 72 72 GLY H H 72 8.641 8.641 7.961 0.680 18210 10079 1 13 . 1 1 73 73 LYS N N 73 119.884 119.884 119.122 0.762 18210 10080 1 13 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.497 0.056 18210 10081 1 13 . 1 1 73 73 LYS C C 73 175.750 175.750 175.474 0.276 18210 10082 1 13 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.577 0.081 18210 10083 1 13 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.504 0.237 18210 10084 1 13 . 1 1 73 73 LYS H H 73 7.738 7.738 7.887 -0.149 18210 10085 1 13 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.944 -0.424 18210 10086 1 13 . 1 1 74 74 ASN C C 74 174.680 174.680 174.669 0.011 18210 10087 1 13 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.077 1.155 18210 10088 1 13 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.938 0.389 18210 10089 1 13 . 1 1 75 75 GLU N N 75 124.834 124.834 126.392 -1.558 18210 10090 1 13 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.492 0.106 18210 10091 1 13 . 1 1 75 75 GLU C C 75 174.547 174.547 174.512 0.035 18210 10092 1 13 . 1 1 75 75 GLU CA C 75 54.887 54.887 54.541 0.346 18210 10093 1 13 . 1 1 75 75 GLU CB C 75 32.908 32.908 32.797 0.111 18210 10094 1 13 . 1 1 75 75 GLU H H 75 8.835 8.835 8.354 0.481 18210 10095 1 13 . 1 1 76 76 ASN N N 76 121.549 121.549 122.335 -0.786 18210 10096 1 13 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.812 -0.137 18210 10097 1 13 . 1 1 76 76 ASN C C 76 175.670 175.670 175.467 0.203 18210 10098 1 13 . 1 1 76 76 ASN CA C 76 54.120 54.120 54.055 0.065 18210 10099 1 13 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.687 0.355 18210 10100 1 13 . 1 1 76 76 ASN H H 76 8.580 8.580 8.632 -0.052 18210 10101 1 13 . 1 1 77 77 LEU N N 77 125.808 125.808 124.021 1.787 18210 10102 1 13 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.541 -0.434 18210 10103 1 13 . 1 1 77 77 LEU C C 77 178.104 178.104 176.972 1.132 18210 10104 1 13 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.288 1.703 18210 10105 1 13 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.567 -0.183 18210 10106 1 13 . 1 1 77 77 LEU H H 77 8.610 8.610 8.381 0.229 18210 10107 1 13 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.326 -0.310 18210 10108 1 13 . 1 1 78 78 GLU C C 78 176.833 176.833 177.367 -0.534 18210 10109 1 13 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.714 0.936 18210 10110 1 13 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.995 0.689 18210 10111 1 13 . 1 1 79 79 ASN N N 79 114.719 114.719 115.740 -1.021 18210 10112 1 13 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.429 0.135 18210 10113 1 13 . 1 1 79 79 ASN C C 79 175.510 175.510 176.049 -0.539 18210 10114 1 13 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.063 -0.671 18210 10115 1 13 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.674 1.044 18210 10116 1 13 . 1 1 79 79 ASN H H 79 8.257 8.257 8.535 -0.278 18210 10117 1 13 . 1 1 80 80 LYS N N 80 118.906 118.906 118.473 0.433 18210 10118 1 13 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.240 0.053 18210 10119 1 13 . 1 1 80 80 LYS C C 80 175.748 175.748 175.782 -0.034 18210 10120 1 13 . 1 1 80 80 LYS CA C 80 57.765 57.765 56.620 1.145 18210 10121 1 13 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.880 0.465 18210 10122 1 13 . 1 1 80 80 LYS H H 80 7.818 7.818 7.225 0.593 18210 10123 1 13 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.371 -0.221 18210 10124 1 13 . 1 1 81 81 LEU C C 81 174.688 174.688 175.102 -0.414 18210 10125 1 13 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.520 1.002 18210 10126 1 13 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.384 -1.321 18210 10127 1 13 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.150 0.019 18210 10128 1 13 . 1 1 82 82 LYS C C 82 175.701 175.701 175.714 -0.013 18210 10129 1 13 . 1 1 82 82 LYS CA C 82 56.168 56.168 56.247 -0.079 18210 10130 1 13 . 1 1 82 82 LYS CB C 82 30.017 30.017 30.935 -0.918 18210 10131 1 13 . 1 1 83 83 LEU N N 83 120.762 120.762 125.543 -4.781 18210 10132 1 13 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.175 0.245 18210 10133 1 13 . 1 1 83 83 LEU C C 83 177.184 177.184 177.387 -0.203 18210 10134 1 13 . 1 1 83 83 LEU CA C 83 55.219 55.219 55.353 -0.134 18210 10135 1 13 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.179 0.132 18210 10136 1 13 . 1 1 83 83 LEU H H 83 7.485 7.485 7.927 -0.442 18210 10137 1 13 . 1 1 84 84 THR N N 84 110.955 110.955 115.220 -4.265 18210 10138 1 13 . 1 1 84 84 THR HA H 84 4.712 4.712 4.526 0.186 18210 10139 1 13 . 1 1 84 84 THR C C 84 173.001 173.001 174.517 -1.516 18210 10140 1 13 . 1 1 84 84 THR CA C 84 59.883 59.883 60.508 -0.625 18210 10141 1 13 . 1 1 84 84 THR CB C 84 71.825 71.825 71.883 -0.058 18210 10142 1 13 . 1 1 84 84 THR H H 84 8.519 8.519 8.548 -0.029 18210 10143 1 13 . 1 1 85 85 ASN N N 85 117.589 117.589 118.399 -0.810 18210 10144 1 13 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.385 -0.239 18210 10145 1 13 . 1 1 85 85 ASN C C 85 173.572 173.572 174.334 -0.762 18210 10146 1 13 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.910 0.409 18210 10147 1 13 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.639 1.269 18210 10148 1 13 . 1 1 85 85 ASN H H 85 8.850 8.850 8.787 0.063 18210 10149 1 13 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.207 0.085 18210 10150 1 13 . 1 1 86 86 ILE C C 86 177.346 177.346 176.143 1.203 18210 10151 1 13 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.496 1.311 18210 10152 1 13 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.856 -0.157 18210 10153 1 13 . 1 1 87 87 ILE N N 87 131.807 131.807 129.281 2.526 18210 10154 1 13 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.506 -0.251 18210 10155 1 13 . 1 1 87 87 ILE C C 87 174.493 174.493 174.419 0.074 18210 10156 1 13 . 1 1 87 87 ILE CA C 87 60.152 60.152 59.988 0.164 18210 10157 1 13 . 1 1 87 87 ILE CB C 87 41.110 41.110 38.865 2.245 18210 10158 1 13 . 1 1 87 87 ILE H H 87 9.166 9.166 8.342 0.824 18210 10159 1 13 . 1 1 88 88 MET HA H 88 4.017 4.017 4.564 -0.547 18210 10160 1 13 . 1 1 88 88 MET C C 88 173.613 173.613 174.405 -0.792 18210 10161 1 13 . 1 1 88 88 MET CA C 88 53.287 53.287 54.758 -1.471 18210 10162 1 13 . 1 1 88 88 MET CB C 88 33.478 33.478 34.770 -1.292 18210 10163 1 13 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.892 -0.195 18210 10164 1 13 . 1 1 89 89 ASP C C 89 176.750 176.750 175.615 1.135 18210 10165 1 13 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.426 -0.325 18210 10166 1 13 . 1 1 89 89 ASP CB C 89 40.191 40.191 42.230 -2.039 18210 10167 1 13 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.325 0.116 18210 10168 1 13 . 1 1 90 90 HIS C C 90 175.625 175.625 176.130 -0.505 18210 10169 1 13 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.905 -0.651 18210 10170 1 13 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.227 -1.648 18210 10171 1 13 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.234 0.206 18210 10172 1 13 . 1 1 91 91 TYR C C 91 177.915 177.915 175.617 2.298 18210 10173 1 13 . 1 1 91 91 TYR CA C 91 60.760 60.760 60.834 -0.074 18210 10174 1 13 . 1 1 91 91 TYR CB C 91 38.067 38.067 39.055 -0.988 18210 10175 1 13 . 1 1 92 92 ASN N N 92 113.661 113.661 114.267 -0.606 18210 10176 1 13 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.543 0.230 18210 10177 1 13 . 1 1 92 92 ASN C C 92 174.762 174.762 174.812 -0.050 18210 10178 1 13 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.922 -0.307 18210 10179 1 13 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.845 0.437 18210 10180 1 13 . 1 1 92 92 ASN H H 92 7.713 7.713 7.918 -0.205 18210 10181 1 13 . 1 1 93 93 ASN N N 93 125.176 125.176 114.317 10.859 18210 10182 1 13 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.323 0.386 18210 10183 1 13 . 1 1 93 93 ASN C C 93 172.729 172.729 173.220 -0.491 18210 10184 1 13 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.418 -1.683 18210 10185 1 13 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.723 1.238 18210 10186 1 13 . 1 1 93 93 ASN H H 93 7.804 7.804 7.877 -0.073 18210 10187 1 13 . 1 1 94 94 THR N N 94 109.900 109.900 112.319 -2.419 18210 10188 1 13 . 1 1 94 94 THR HA H 94 4.852 4.852 5.001 -0.149 18210 10189 1 13 . 1 1 94 94 THR C C 94 170.824 170.824 171.863 -1.039 18210 10190 1 13 . 1 1 94 94 THR CA C 94 61.817 61.817 60.291 1.526 18210 10191 1 13 . 1 1 94 94 THR CB C 94 71.074 71.074 71.234 -0.160 18210 10192 1 13 . 1 1 94 94 THR H H 94 7.654 7.654 7.276 0.378 18210 10193 1 13 . 1 1 95 95 PHE N N 95 126.721 126.721 125.129 1.592 18210 10194 1 13 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.347 -0.239 18210 10195 1 13 . 1 1 95 95 PHE C C 95 174.143 174.143 174.157 -0.014 18210 10196 1 13 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.388 0.181 18210 10197 1 13 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.470 0.323 18210 10198 1 13 . 1 1 95 95 PHE H H 95 8.166 8.166 7.667 0.499 18210 10199 1 13 . 1 1 96 96 TYR N N 96 115.709 115.709 119.893 -4.184 18210 10200 1 13 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.612 0.455 18210 10201 1 13 . 1 1 96 96 TYR C C 96 175.734 175.734 174.877 0.857 18210 10202 1 13 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.684 -0.252 18210 10203 1 13 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.807 1.360 18210 10204 1 13 . 1 1 96 96 TYR H H 96 9.149 9.149 8.695 0.454 18210 10205 1 13 . 1 1 97 97 SER N N 97 109.503 109.503 114.821 -5.318 18210 10206 1 13 . 1 1 97 97 SER HA H 97 4.430 4.430 4.907 -0.477 18210 10207 1 13 . 1 1 97 97 SER C C 97 170.684 170.684 173.134 -2.450 18210 10208 1 13 . 1 1 97 97 SER CA C 97 59.324 59.324 56.594 2.730 18210 10209 1 13 . 1 1 97 97 SER CB C 97 66.341 66.341 65.287 1.054 18210 10210 1 13 . 1 1 97 97 SER H H 97 8.921 8.921 9.295 -0.374 18210 10211 1 13 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.660 0.734 18210 10212 1 13 . 1 1 98 98 ARG C C 98 175.850 175.850 175.272 0.578 18210 10213 1 13 . 1 1 98 98 ARG CA C 98 54.176 54.176 55.146 -0.970 18210 10214 1 13 . 1 1 98 98 ARG CB C 98 33.127 33.127 31.941 1.186 18210 10215 1 13 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.718 -0.388 18210 10216 1 13 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.812 0.994 18210 10217 1 13 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.149 -1.246 18210 10218 1 13 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.394 0.282 18210 10219 1 13 . 1 1 100 100 PRO C C 100 175.744 175.744 176.274 -0.530 18210 10220 1 13 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.154 -0.865 18210 10221 1 13 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.615 0.171 18210 10222 1 13 . 1 1 101 101 SER HA H 101 4.126 4.126 4.344 -0.218 18210 10223 1 13 . 1 1 101 101 SER C C 101 173.214 173.214 174.185 -0.971 18210 10224 1 13 . 1 1 101 101 SER CA C 101 60.265 60.265 59.762 0.503 18210 10225 1 13 . 1 1 101 101 SER CB C 101 63.660 63.660 63.720 -0.060 18210 10226 1 13 . 1 1 102 102 LEU N N 102 121.389 121.389 121.515 -0.126 18210 10227 1 13 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.561 -0.029 18210 10228 1 13 . 1 1 102 102 LEU C C 102 175.187 175.187 175.205 -0.018 18210 10229 1 13 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.741 -0.055 18210 10230 1 13 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.285 0.095 18210 10231 1 13 . 1 1 102 102 LEU H H 102 7.179 7.179 7.386 -0.207 18210 10232 1 13 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.500 -0.057 18210 10233 1 13 . 1 1 103 103 ILE C C 103 175.490 175.490 176.012 -0.522 18210 10234 1 13 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.328 -1.419 18210 10235 1 13 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.557 0.121 18210 10236 1 13 . 1 1 104 104 SER N N 104 120.807 120.807 121.356 -0.549 18210 10237 1 13 . 1 1 104 104 SER HA H 104 4.581 4.581 4.564 0.017 18210 10238 1 13 . 1 1 104 104 SER C C 104 173.234 173.234 174.292 -1.058 18210 10239 1 13 . 1 1 104 104 SER CA C 104 58.166 58.166 58.088 0.078 18210 10240 1 13 . 1 1 104 104 SER CB C 104 64.341 64.341 63.647 0.694 18210 10241 1 13 . 1 1 104 104 SER H H 104 8.471 8.471 8.420 0.051 18210 10242 1 13 . 1 1 105 105 ASP N N 105 119.103 119.103 122.725 -3.622 18210 10243 1 13 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.809 -0.160 18210 10244 1 13 . 1 1 105 105 ASP C C 105 174.991 174.991 175.832 -0.841 18210 10245 1 13 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.181 -0.447 18210 10246 1 13 . 1 1 105 105 ASP CB C 105 42.477 42.477 42.067 0.410 18210 10247 1 13 . 1 1 105 105 ASP H H 105 8.060 8.060 8.054 0.006 18210 10248 1 13 . 1 1 106 106 ASN N N 106 116.036 116.036 118.321 -2.285 18210 10249 1 13 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.883 -0.148 18210 10250 1 13 . 1 1 106 106 ASN C C 106 174.308 174.308 175.550 -1.242 18210 10251 1 13 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.084 1.696 18210 10252 1 13 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.034 0.988 18210 10253 1 13 . 1 1 106 106 ASN H H 106 8.389 8.389 8.536 -0.147 18210 10254 1 13 . 1 1 107 107 TRP N N 107 119.645 119.645 120.048 -0.403 18210 10255 1 13 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.728 0.101 18210 10256 1 13 . 1 1 107 107 TRP C C 107 174.949 174.949 174.135 0.814 18210 10257 1 13 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.231 -0.039 18210 10258 1 13 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.700 2.513 18210 10259 1 13 . 1 1 107 107 TRP H H 107 7.846 7.846 7.800 0.046 18210 10260 1 13 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.777 0.685 18210 10261 1 13 . 1 1 108 108 LYS C C 108 174.986 174.986 174.850 0.136 18210 10262 1 13 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.203 0.993 18210 10263 1 13 . 1 1 108 108 LYS CB C 108 36.215 36.215 36.536 -0.321 18210 10264 1 13 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.129 0.416 18210 10265 1 13 . 1 1 109 109 PHE C C 109 172.950 172.950 172.567 0.383 18210 10266 1 13 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.779 -0.359 18210 10267 1 13 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.286 -0.395 18210 10268 1 13 . 1 1 110 110 PHE N N 110 115.390 115.390 114.691 0.699 18210 10269 1 13 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.108 0.924 18210 10270 1 13 . 1 1 110 110 PHE C C 110 173.892 173.892 173.658 0.234 18210 10271 1 13 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.357 0.875 18210 10272 1 13 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.907 2.459 18210 10273 1 13 . 1 1 110 110 PHE H H 110 9.267 9.267 7.597 1.670 18210 10274 1 13 . 1 1 111 111 CYS N N 111 116.463 116.463 117.500 -1.037 18210 10275 1 13 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.923 0.138 18210 10276 1 13 . 1 1 111 111 CYS C C 111 171.900 171.900 173.084 -1.184 18210 10277 1 13 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.481 -3.629 18210 10278 1 13 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.216 16.614 18210 10279 1 13 . 1 1 111 111 CYS H H 111 9.274 9.274 8.647 0.627 18210 10280 1 13 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.251 -0.049 18210 10281 1 13 . 1 1 112 112 VAL C C 112 175.041 175.041 174.481 0.560 18210 10282 1 13 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.321 0.122 18210 10283 1 13 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.275 0.302 18210 10284 1 13 . 1 1 112 112 VAL H H 112 9.605 9.605 8.397 1.208 18210 10285 1 13 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.581 0.179 18210 10286 1 13 . 1 1 113 113 CYS C C 113 173.601 173.601 174.020 -0.419 18210 10287 1 13 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.444 -4.623 18210 10288 1 13 . 1 1 113 113 CYS CB C 113 43.946 43.946 30.073 13.873 18210 10289 1 13 . 1 1 114 114 SER N N 114 117.968 117.968 117.868 0.100 18210 10290 1 13 . 1 1 114 114 SER HA H 114 5.093 5.093 5.058 0.035 18210 10291 1 13 . 1 1 114 114 SER C C 114 172.267 172.267 172.750 -0.483 18210 10292 1 13 . 1 1 114 114 SER CA C 114 56.677 56.677 57.761 -1.084 18210 10293 1 13 . 1 1 114 114 SER CB C 114 66.795 66.795 65.751 1.044 18210 10294 1 13 . 1 1 114 114 SER H H 114 9.250 9.250 9.275 -0.025 18210 10295 1 13 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.500 -0.394 18210 10296 1 13 . 1 1 115 115 LYS C C 115 174.527 174.527 174.332 0.195 18210 10297 1 13 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.392 0.530 18210 10298 1 13 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.086 -2.077 18210 10299 1 13 . 1 1 115 115 LYS H H 115 8.705 8.705 8.405 0.300 18210 10300 1 13 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.525 -0.334 18210 10301 1 13 . 1 1 116 116 ASP C C 116 176.002 176.002 176.727 -0.725 18210 10302 1 13 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.274 1.040 18210 10303 1 13 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.976 -0.529 18210 10304 1 13 . 1 1 117 117 ASN N N 117 116.913 116.913 118.107 -1.194 18210 10305 1 13 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.313 0.126 18210 10306 1 13 . 1 1 117 117 ASN C C 117 174.246 174.246 173.525 0.721 18210 10307 1 13 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.269 0.164 18210 10308 1 13 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.206 -0.024 18210 10309 1 13 . 1 1 117 117 ASN H H 117 8.752 8.752 8.658 0.094 18210 10310 1 13 . 1 1 118 118 GLU N N 118 116.615 116.615 117.972 -1.357 18210 10311 1 13 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.424 0.336 18210 10312 1 13 . 1 1 118 118 GLU C C 118 177.397 177.397 174.965 2.432 18210 10313 1 13 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.355 -1.046 18210 10314 1 13 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.357 -2.266 18210 10315 1 13 . 1 1 118 118 GLU H H 118 7.819 7.819 8.155 -0.336 18210 10316 1 13 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.252 -0.087 18210 10317 1 13 . 1 1 119 119 LYS C C 119 177.626 177.626 177.230 0.396 18210 10318 1 13 . 1 1 119 119 LYS CA C 119 57.540 57.540 55.993 1.547 18210 10319 1 13 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.416 0.429 18210 10320 1 13 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.521 -0.216 18210 10321 1 13 . 1 1 120 120 LYS C C 120 174.312 174.312 175.821 -1.509 18210 10322 1 13 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.782 1.324 18210 10323 1 13 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.650 -0.462 18210 10324 1 13 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.228 0.331 18210 10325 1 13 . 1 1 121 121 LEU C C 121 174.893 174.893 174.996 -0.103 18210 10326 1 13 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.571 -0.967 18210 10327 1 13 . 1 1 121 121 LEU CB C 121 39.606 39.606 43.001 -3.395 18210 10328 1 13 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.625 -0.264 18210 10329 1 13 . 1 1 122 122 VAL C C 122 173.909 173.909 174.368 -0.459 18210 10330 1 13 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.019 1.009 18210 10331 1 13 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.847 -0.253 18210 10332 1 13 . 1 1 123 123 PHE HA H 123 5.175 5.175 5.214 -0.039 18210 10333 1 13 . 1 1 123 123 PHE C C 123 173.230 173.230 173.346 -0.116 18210 10334 1 13 . 1 1 123 123 PHE CA C 123 56.314 56.314 55.512 0.802 18210 10335 1 13 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.738 -0.906 18210 10336 1 13 . 1 1 124 124 THR N N 124 121.688 121.688 123.313 -1.625 18210 10337 1 13 . 1 1 124 124 THR HA H 124 4.885 4.885 4.632 0.253 18210 10338 1 13 . 1 1 124 124 THR C C 124 170.874 170.874 172.212 -1.338 18210 10339 1 13 . 1 1 124 124 THR CA C 124 60.087 60.087 59.710 0.377 18210 10340 1 13 . 1 1 124 124 THR CB C 124 70.942 70.942 71.258 -0.316 18210 10341 1 13 . 1 1 124 124 THR H H 124 8.493 8.493 8.021 0.472 18210 10342 1 13 . 1 1 125 125 VAL N N 125 125.781 125.781 121.399 4.382 18210 10343 1 13 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.050 -0.534 18210 10344 1 13 . 1 1 125 125 VAL C C 125 173.796 173.796 173.180 0.616 18210 10345 1 13 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.590 1.202 18210 10346 1 13 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.063 -1.829 18210 10347 1 13 . 1 1 125 125 VAL H H 125 8.275 8.275 7.782 0.493 18210 10348 1 13 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.667 0.222 18210 10349 1 13 . 1 1 126 126 GLU C C 126 173.519 173.519 174.749 -1.230 18210 10350 1 13 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.773 -0.807 18210 10351 1 13 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.707 -0.745 18210 10352 1 13 . 1 1 126 126 GLU H H 126 8.262 8.262 7.917 0.345 18210 10353 1 14 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.290 -0.121 18210 10354 1 14 . 1 1 2 2 LYS C C 2 176.160 176.160 176.201 -0.041 18210 10355 1 14 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.848 0.117 18210 10356 1 14 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.286 -0.021 18210 10357 1 14 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.228 -0.315 18210 10358 1 14 . 1 1 3 3 VAL C C 3 175.820 175.820 175.531 0.289 18210 10359 1 14 . 1 1 3 3 VAL CA C 3 62.488 62.488 60.924 1.564 18210 10360 1 14 . 1 1 3 3 VAL CB C 3 32.780 32.780 33.076 -0.296 18210 10361 1 14 . 1 1 4 4 LYS N N 4 129.029 129.029 126.797 2.232 18210 10362 1 14 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.695 -0.188 18210 10363 1 14 . 1 1 4 4 LYS C C 4 174.923 174.923 176.841 -1.918 18210 10364 1 14 . 1 1 4 4 LYS CA C 4 57.303 57.303 55.600 1.703 18210 10365 1 14 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.092 0.159 18210 10366 1 14 . 1 1 4 4 LYS H H 4 8.507 8.507 8.441 0.066 18210 10367 1 14 . 1 1 5 5 GLY N N 5 110.242 110.242 109.934 0.308 18210 10368 1 14 . 1 1 5 5 GLY C C 5 173.333 173.333 171.698 1.635 18210 10369 1 14 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.584 0.680 18210 10370 1 14 . 1 1 5 5 GLY H H 5 8.138 8.138 7.968 0.170 18210 10371 1 14 . 1 1 6 6 CYS N N 6 114.306 114.306 119.922 -5.616 18210 10372 1 14 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.259 -0.008 18210 10373 1 14 . 1 1 6 6 CYS C C 6 170.891 170.891 173.004 -2.113 18210 10374 1 14 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.171 -2.321 18210 10375 1 14 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.669 21.481 18210 10376 1 14 . 1 1 6 6 CYS H H 6 6.750 6.750 8.399 -1.649 18210 10377 1 14 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.015 -0.267 18210 10378 1 14 . 1 1 7 7 ASP C C 7 175.607 175.607 175.751 -0.144 18210 10379 1 14 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.135 0.103 18210 10380 1 14 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.125 -0.508 18210 10381 1 14 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.547 0.330 18210 10382 1 14 . 1 1 8 8 PHE C C 8 173.972 173.972 175.911 -1.939 18210 10383 1 14 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.577 0.878 18210 10384 1 14 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.842 0.377 18210 10385 1 14 . 1 1 9 9 THR N N 9 105.421 105.421 112.777 -7.356 18210 10386 1 14 . 1 1 9 9 THR HA H 9 4.611 4.611 4.447 0.164 18210 10387 1 14 . 1 1 9 9 THR C C 9 174.505 174.505 174.932 -0.427 18210 10388 1 14 . 1 1 9 9 THR CA C 9 61.988 61.988 63.532 -1.544 18210 10389 1 14 . 1 1 9 9 THR CB C 9 70.385 70.385 70.373 0.012 18210 10390 1 14 . 1 1 9 9 THR H H 9 8.996 8.996 8.891 0.105 18210 10391 1 14 . 1 1 10 10 THR N N 10 118.757 118.757 116.695 2.062 18210 10392 1 14 . 1 1 10 10 THR HA H 10 4.526 4.526 4.568 -0.042 18210 10393 1 14 . 1 1 10 10 THR C C 10 171.202 171.202 174.408 -3.206 18210 10394 1 14 . 1 1 10 10 THR CA C 10 60.774 60.774 61.324 -0.550 18210 10395 1 14 . 1 1 10 10 THR CB C 10 68.040 68.040 71.867 -3.827 18210 10396 1 14 . 1 1 10 10 THR H H 10 7.199 7.199 7.721 -0.522 18210 10397 1 14 . 1 1 11 11 SER N N 11 117.117 117.117 119.343 -2.226 18210 10398 1 14 . 1 1 11 11 SER HA H 11 3.907 3.907 4.269 -0.362 18210 10399 1 14 . 1 1 11 11 SER C C 11 174.988 174.988 174.753 0.235 18210 10400 1 14 . 1 1 11 11 SER CA C 11 59.563 59.563 60.947 -1.384 18210 10401 1 14 . 1 1 11 11 SER CB C 11 63.599 63.599 63.524 0.075 18210 10402 1 14 . 1 1 11 11 SER H H 11 7.997 7.997 8.737 -0.740 18210 10403 1 14 . 1 1 12 12 GLU N N 12 125.013 125.013 122.073 2.940 18210 10404 1 14 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.440 0.125 18210 10405 1 14 . 1 1 12 12 GLU C C 12 175.108 175.108 174.949 0.159 18210 10406 1 14 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.372 -1.113 18210 10407 1 14 . 1 1 12 12 GLU CB C 12 28.928 28.928 30.604 -1.676 18210 10408 1 14 . 1 1 12 12 GLU H H 12 8.375 8.375 8.158 0.217 18210 10409 1 14 . 1 1 13 13 SER N N 13 114.959 114.959 120.749 -5.790 18210 10410 1 14 . 1 1 13 13 SER HA H 13 4.130 4.130 4.770 -0.640 18210 10411 1 14 . 1 1 13 13 SER C C 13 176.833 176.833 174.673 2.160 18210 10412 1 14 . 1 1 13 13 SER CA C 13 58.707 58.707 57.253 1.454 18210 10413 1 14 . 1 1 13 13 SER CB C 13 63.598 63.598 64.078 -0.479 18210 10414 1 14 . 1 1 13 13 SER H H 13 7.879 7.879 8.706 -0.827 18210 10415 1 14 . 1 1 14 14 THR N N 14 117.688 117.688 118.883 -1.195 18210 10416 1 14 . 1 1 14 14 THR HA H 14 4.348 4.348 4.254 0.094 18210 10417 1 14 . 1 1 14 14 THR C C 14 174.550 174.550 174.812 -0.262 18210 10418 1 14 . 1 1 14 14 THR CA C 14 62.435 62.435 63.910 -1.475 18210 10419 1 14 . 1 1 14 14 THR CB C 14 69.114 69.114 68.936 0.178 18210 10420 1 14 . 1 1 14 14 THR H H 14 8.978 8.978 8.896 0.082 18210 10421 1 14 . 1 1 15 15 ILE N N 15 118.851 118.851 111.014 7.837 18210 10422 1 14 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.263 -0.225 18210 10423 1 14 . 1 1 15 15 ILE C C 15 175.389 175.389 173.739 1.650 18210 10424 1 14 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.955 1.745 18210 10425 1 14 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.047 2.400 18210 10426 1 14 . 1 1 15 15 ILE H H 15 7.947 7.947 7.658 0.289 18210 10427 1 14 . 1 1 16 16 PHE N N 16 116.409 116.409 119.013 -2.604 18210 10428 1 14 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.728 -0.210 18210 10429 1 14 . 1 1 16 16 PHE C C 16 176.700 176.700 176.995 -0.295 18210 10430 1 14 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.016 1.446 18210 10431 1 14 . 1 1 16 16 PHE CB C 16 42.712 42.712 42.329 0.383 18210 10432 1 14 . 1 1 16 16 PHE H H 16 7.792 7.792 7.468 0.324 18210 10433 1 14 . 1 1 17 17 SER N N 17 114.126 114.126 117.426 -3.300 18210 10434 1 14 . 1 1 17 17 SER HA H 17 3.984 3.984 4.373 -0.389 18210 10435 1 14 . 1 1 17 17 SER C C 17 174.203 174.203 174.976 -0.773 18210 10436 1 14 . 1 1 17 17 SER CA C 17 61.176 61.176 60.429 0.747 18210 10437 1 14 . 1 1 17 17 SER CB C 17 63.438 63.438 63.924 -0.486 18210 10438 1 14 . 1 1 17 17 SER H H 17 8.666 8.666 9.030 -0.364 18210 10439 1 14 . 1 1 18 18 LYS N N 18 122.828 122.828 122.689 0.139 18210 10440 1 14 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.481 0.277 18210 10441 1 14 . 1 1 18 18 LYS C C 18 174.029 174.029 174.975 -0.946 18210 10442 1 14 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.665 -0.004 18210 10443 1 14 . 1 1 18 18 LYS CB C 18 35.049 35.049 34.753 0.296 18210 10444 1 14 . 1 1 18 18 LYS H H 18 8.031 8.031 7.521 0.510 18210 10445 1 14 . 1 1 19 19 GLY N N 19 112.051 112.051 111.656 0.395 18210 10446 1 14 . 1 1 19 19 GLY C C 19 172.307 172.307 172.725 -0.418 18210 10447 1 14 . 1 1 19 19 GLY CA C 19 44.946 44.946 44.837 0.109 18210 10448 1 14 . 1 1 19 19 GLY H H 19 8.092 8.092 8.014 0.078 18210 10449 1 14 . 1 1 20 20 TYR N N 20 120.060 120.060 120.075 -0.015 18210 10450 1 14 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.868 -0.298 18210 10451 1 14 . 1 1 20 20 TYR C C 20 173.557 173.557 174.738 -1.181 18210 10452 1 14 . 1 1 20 20 TYR CA C 20 57.512 57.512 56.944 0.569 18210 10453 1 14 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.933 0.158 18210 10454 1 14 . 1 1 20 20 TYR H H 20 7.968 7.968 8.833 -0.865 18210 10455 1 14 . 1 1 21 21 SER N N 21 115.201 115.201 116.300 -1.099 18210 10456 1 14 . 1 1 21 21 SER HA H 21 4.562 4.562 4.777 -0.215 18210 10457 1 14 . 1 1 21 21 SER C C 21 176.172 176.172 176.295 -0.123 18210 10458 1 14 . 1 1 21 21 SER CA C 21 56.537 56.537 55.513 1.024 18210 10459 1 14 . 1 1 21 21 SER CB C 21 65.257 65.257 64.856 0.402 18210 10460 1 14 . 1 1 21 21 SER H H 21 8.761 8.761 8.612 0.149 18210 10461 1 14 . 1 1 22 22 ILE N N 22 122.867 122.867 122.463 0.404 18210 10462 1 14 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.816 0.343 18210 10463 1 14 . 1 1 22 22 ILE C C 22 177.561 177.561 177.144 0.417 18210 10464 1 14 . 1 1 22 22 ILE CA C 22 62.713 62.713 64.231 -1.518 18210 10465 1 14 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.731 0.124 18210 10466 1 14 . 1 1 22 22 ILE H H 22 8.646 8.646 8.700 -0.054 18210 10467 1 14 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.635 -0.090 18210 10468 1 14 . 1 1 23 23 ASN C C 23 176.647 176.647 176.340 0.307 18210 10469 1 14 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.352 0.154 18210 10470 1 14 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.486 -0.033 18210 10471 1 14 . 1 1 24 24 GLU N N 24 118.601 118.601 118.216 0.385 18210 10472 1 14 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.075 0.211 18210 10473 1 14 . 1 1 24 24 GLU C C 24 177.998 177.998 178.641 -0.643 18210 10474 1 14 . 1 1 24 24 GLU CA C 24 58.306 58.306 58.972 -0.666 18210 10475 1 14 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.950 0.708 18210 10476 1 14 . 1 1 24 24 GLU H H 24 7.837 7.837 8.240 -0.403 18210 10477 1 14 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.022 0.151 18210 10478 1 14 . 1 1 25 25 ILE C C 25 176.641 176.641 176.968 -0.327 18210 10479 1 14 . 1 1 25 25 ILE CA C 25 62.612 62.612 63.775 -1.163 18210 10480 1 14 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.468 -0.108 18210 10481 1 14 . 1 1 26 26 SER N N 26 116.293 116.293 115.963 0.330 18210 10482 1 14 . 1 1 26 26 SER HA H 26 4.663 4.663 4.516 0.147 18210 10483 1 14 . 1 1 26 26 SER C C 26 174.462 174.462 173.183 1.279 18210 10484 1 14 . 1 1 26 26 SER CA C 26 58.392 58.392 57.023 1.369 18210 10485 1 14 . 1 1 26 26 SER CB C 26 64.380 64.380 63.508 0.872 18210 10486 1 14 . 1 1 26 26 SER H H 26 7.813 7.813 7.828 -0.015 18210 10487 1 14 . 1 1 27 27 ASN N N 27 121.919 121.919 125.475 -3.556 18210 10488 1 14 . 1 1 27 27 ASN HA H 27 4.721 4.721 5.097 -0.376 18210 10489 1 14 . 1 1 27 27 ASN C C 27 175.869 175.869 176.046 -0.177 18210 10490 1 14 . 1 1 27 27 ASN CA C 27 54.010 54.010 52.954 1.056 18210 10491 1 14 . 1 1 27 27 ASN CB C 27 38.640 38.640 39.344 -0.704 18210 10492 1 14 . 1 1 27 27 ASN H H 27 8.521 8.521 8.507 0.014 18210 10493 1 14 . 1 1 28 28 LYS N N 28 121.697 121.697 124.905 -3.208 18210 10494 1 14 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.263 0.097 18210 10495 1 14 . 1 1 28 28 LYS C C 28 176.952 176.952 177.553 -0.601 18210 10496 1 14 . 1 1 28 28 LYS CA C 28 56.967 56.967 57.458 -0.491 18210 10497 1 14 . 1 1 28 28 LYS CB C 28 32.730 32.730 32.446 0.284 18210 10498 1 14 . 1 1 28 28 LYS H H 28 8.367 8.367 8.715 -0.348 18210 10499 1 14 . 1 1 29 29 SER HA H 29 4.498 4.498 4.414 0.084 18210 10500 1 14 . 1 1 29 29 SER C C 29 174.741 174.741 175.170 -0.429 18210 10501 1 14 . 1 1 29 29 SER CA C 29 58.557 58.557 58.783 -0.226 18210 10502 1 14 . 1 1 29 29 SER CB C 29 63.945 63.945 63.938 0.007 18210 10503 1 14 . 1 1 30 30 SER N N 30 116.470 116.470 116.878 -0.408 18210 10504 1 14 . 1 1 30 30 SER HA H 30 4.429 4.429 4.289 0.140 18210 10505 1 14 . 1 1 30 30 SER C C 30 174.467 174.467 174.497 -0.030 18210 10506 1 14 . 1 1 30 30 SER CA C 30 58.616 58.616 58.789 -0.173 18210 10507 1 14 . 1 1 30 30 SER CB C 30 63.834 63.834 63.940 -0.106 18210 10508 1 14 . 1 1 30 30 SER H H 30 8.140 8.140 8.153 -0.013 18210 10509 1 14 . 1 1 31 31 ASN N N 31 119.457 119.457 119.439 0.018 18210 10510 1 14 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.640 0.057 18210 10511 1 14 . 1 1 31 31 ASN C C 31 174.930 174.930 175.429 -0.499 18210 10512 1 14 . 1 1 31 31 ASN CA C 31 53.583 53.583 53.857 -0.274 18210 10513 1 14 . 1 1 31 31 ASN CB C 31 38.733 38.733 39.139 -0.406 18210 10514 1 14 . 1 1 31 31 ASN H H 31 8.354 8.354 8.537 -0.183 18210 10515 1 14 . 1 1 32 32 ASN N N 32 118.038 118.038 120.501 -2.463 18210 10516 1 14 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.392 0.306 18210 10517 1 14 . 1 1 32 32 ASN C C 32 174.979 174.979 174.524 0.455 18210 10518 1 14 . 1 1 32 32 ASN CA C 32 53.580 53.580 53.958 -0.378 18210 10519 1 14 . 1 1 32 32 ASN CB C 32 38.810 38.810 37.706 1.103 18210 10520 1 14 . 1 1 32 32 ASN H H 32 8.218 8.218 8.410 -0.192 18210 10521 1 14 . 1 1 33 33 GLN N N 33 119.603 119.603 119.382 0.221 18210 10522 1 14 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.650 -0.297 18210 10523 1 14 . 1 1 33 33 GLN C C 33 175.735 175.735 174.714 1.021 18210 10524 1 14 . 1 1 33 33 GLN CA C 33 55.883 55.883 55.058 0.825 18210 10525 1 14 . 1 1 33 33 GLN CB C 33 29.131 29.131 30.271 -1.140 18210 10526 1 14 . 1 1 33 33 GLN H H 33 8.337 8.337 8.232 0.105 18210 10527 1 14 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.397 -0.119 18210 10528 1 14 . 1 1 34 34 GLN C C 34 175.170 175.170 174.172 0.998 18210 10529 1 14 . 1 1 34 34 GLN CA C 34 56.102 56.102 56.088 0.014 18210 10530 1 14 . 1 1 34 34 GLN CB C 34 29.870 29.870 29.873 -0.003 18210 10531 1 14 . 1 1 34 34 GLN H H 34 8.087 8.087 8.754 -0.667 18210 10532 1 14 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.048 -0.328 18210 10533 1 14 . 1 1 35 35 ASP C C 35 175.810 175.810 174.739 1.071 18210 10534 1 14 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.520 0.772 18210 10535 1 14 . 1 1 35 35 ASP CB C 35 41.462 41.462 43.268 -1.806 18210 10536 1 14 . 1 1 35 35 ASP H H 35 8.033 8.033 8.026 0.007 18210 10537 1 14 . 1 1 36 36 ILE N N 36 122.378 122.378 124.969 -2.591 18210 10538 1 14 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.224 -0.160 18210 10539 1 14 . 1 1 36 36 ILE C C 36 173.823 173.823 174.636 -0.813 18210 10540 1 14 . 1 1 36 36 ILE CA C 36 60.506 60.506 60.051 0.455 18210 10541 1 14 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.731 -0.019 18210 10542 1 14 . 1 1 36 36 ILE H H 36 8.421 8.421 8.275 0.146 18210 10543 1 14 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.777 -0.270 18210 10544 1 14 . 1 1 37 37 VAL C C 37 174.956 174.956 175.557 -0.601 18210 10545 1 14 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.815 0.720 18210 10546 1 14 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.443 -1.511 18210 10547 1 14 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.660 0.121 18210 10548 1 14 . 1 1 38 38 CYS C C 38 172.106 172.106 174.304 -2.198 18210 10549 1 14 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.380 -3.162 18210 10550 1 14 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.459 23.497 18210 10551 1 14 . 1 1 39 39 THR N N 39 123.385 123.385 123.275 0.110 18210 10552 1 14 . 1 1 39 39 THR HA H 39 4.998 4.998 4.852 0.146 18210 10553 1 14 . 1 1 39 39 THR C C 39 174.687 174.687 174.008 0.679 18210 10554 1 14 . 1 1 39 39 THR CA C 39 61.514 61.514 62.575 -1.062 18210 10555 1 14 . 1 1 39 39 THR CB C 39 69.880 69.880 69.480 0.400 18210 10556 1 14 . 1 1 39 39 THR H H 39 8.229 8.229 8.581 -0.352 18210 10557 1 14 . 1 1 40 40 VAL N N 40 125.782 125.782 122.891 2.891 18210 10558 1 14 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.584 -0.304 18210 10559 1 14 . 1 1 40 40 VAL C C 40 173.622 173.622 173.928 -0.306 18210 10560 1 14 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.839 0.568 18210 10561 1 14 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.350 -0.550 18210 10562 1 14 . 1 1 40 40 VAL H H 40 8.892 8.892 7.947 0.945 18210 10563 1 14 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.632 0.273 18210 10564 1 14 . 1 1 41 41 LYS C C 41 175.624 175.624 175.960 -0.336 18210 10565 1 14 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.447 -1.200 18210 10566 1 14 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.186 -1.284 18210 10567 1 14 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.671 -0.364 18210 10568 1 14 . 1 1 42 42 ALA C C 42 175.028 175.028 175.129 -0.101 18210 10569 1 14 . 1 1 42 42 ALA CA C 42 51.544 51.544 50.753 0.791 18210 10570 1 14 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.332 0.901 18210 10571 1 14 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.798 -0.019 18210 10572 1 14 . 1 1 43 43 HIS C C 43 172.767 172.767 174.696 -1.929 18210 10573 1 14 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.523 -1.922 18210 10574 1 14 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.900 -2.601 18210 10575 1 14 . 1 1 43 43 HIS H H 43 8.722 8.722 8.659 0.063 18210 10576 1 14 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.158 -0.118 18210 10577 1 14 . 1 1 44 44 ALA C C 44 178.087 178.087 178.069 0.018 18210 10578 1 14 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.516 -0.654 18210 10579 1 14 . 1 1 44 44 ALA CB C 44 19.024 19.024 19.182 -0.158 18210 10580 1 14 . 1 1 44 44 ALA H H 44 8.468 8.468 8.269 0.199 18210 10581 1 14 . 1 1 45 45 ASN N N 45 113.483 113.483 115.025 -1.542 18210 10582 1 14 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.840 -0.498 18210 10583 1 14 . 1 1 45 45 ASN C C 45 174.441 174.441 174.998 -0.557 18210 10584 1 14 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.621 1.707 18210 10585 1 14 . 1 1 45 45 ASN CB C 45 38.679 38.679 40.159 -1.480 18210 10586 1 14 . 1 1 45 45 ASN H H 45 7.356 7.356 8.206 -0.850 18210 10587 1 14 . 1 1 46 46 ASP N N 46 120.941 120.941 120.688 0.253 18210 10588 1 14 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.807 -0.216 18210 10589 1 14 . 1 1 46 46 ASP C C 46 175.724 175.724 175.848 -0.124 18210 10590 1 14 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.424 1.745 18210 10591 1 14 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.505 0.014 18210 10592 1 14 . 1 1 46 46 ASP H H 46 7.959 7.959 8.102 -0.143 18210 10593 1 14 . 1 1 47 47 LEU N N 47 123.735 123.735 121.600 2.135 18210 10594 1 14 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.468 0.508 18210 10595 1 14 . 1 1 47 47 LEU C C 47 175.735 175.735 176.805 -1.070 18210 10596 1 14 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.819 -0.128 18210 10597 1 14 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.939 0.627 18210 10598 1 14 . 1 1 47 47 LEU H H 47 8.156 8.156 8.599 -0.443 18210 10599 1 14 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.682 0.589 18210 10600 1 14 . 1 1 48 48 ILE C C 48 175.979 175.979 175.296 0.683 18210 10601 1 14 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.888 0.065 18210 10602 1 14 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.428 2.710 18210 10603 1 14 . 1 1 49 49 GLY N N 49 102.726 102.726 111.006 -8.280 18210 10604 1 14 . 1 1 49 49 GLY C C 49 169.506 169.506 171.738 -2.232 18210 10605 1 14 . 1 1 49 49 GLY CA C 49 48.190 48.190 45.948 2.242 18210 10606 1 14 . 1 1 49 49 GLY H H 49 7.900 7.900 8.475 -0.575 18210 10607 1 14 . 1 1 50 50 PHE N N 50 111.884 111.884 113.219 -1.335 18210 10608 1 14 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.508 0.405 18210 10609 1 14 . 1 1 50 50 PHE C C 50 171.823 171.823 171.884 -0.061 18210 10610 1 14 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.415 -0.688 18210 10611 1 14 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.538 0.491 18210 10612 1 14 . 1 1 50 50 PHE H H 50 8.248 8.248 7.754 0.494 18210 10613 1 14 . 1 1 51 51 LYS N N 51 117.924 117.924 119.174 -1.250 18210 10614 1 14 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.239 0.145 18210 10615 1 14 . 1 1 51 51 LYS C C 51 176.140 176.140 174.445 1.695 18210 10616 1 14 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.863 -0.442 18210 10617 1 14 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.224 0.696 18210 10618 1 14 . 1 1 51 51 LYS H H 51 7.857 7.857 7.792 0.065 18210 10619 1 14 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.153 -0.132 18210 10620 1 14 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.826 -4.635 18210 10621 1 14 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.057 11.130 18210 10622 1 14 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.413 -0.036 18210 10623 1 14 . 1 1 53 53 PRO C C 53 177.624 177.624 177.451 0.173 18210 10624 1 14 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.228 -0.658 18210 10625 1 14 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.408 -1.152 18210 10626 1 14 . 1 1 54 54 SER HA H 54 4.106 4.106 4.194 -0.088 18210 10627 1 14 . 1 1 54 54 SER C C 54 174.271 174.271 174.649 -0.378 18210 10628 1 14 . 1 1 54 54 SER CA C 54 61.221 61.221 59.980 1.240 18210 10629 1 14 . 1 1 54 54 SER CB C 54 63.243 63.243 63.217 0.026 18210 10630 1 14 . 1 1 55 55 ASN N N 55 115.116 115.116 117.349 -2.233 18210 10631 1 14 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.820 -0.147 18210 10632 1 14 . 1 1 55 55 ASN C C 55 174.556 174.556 174.371 0.185 18210 10633 1 14 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.598 0.266 18210 10634 1 14 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.791 -1.867 18210 10635 1 14 . 1 1 55 55 ASN H H 55 8.712 8.712 8.295 0.417 18210 10636 1 14 . 1 1 56 56 TYR N N 56 120.489 120.489 119.451 1.038 18210 10637 1 14 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.532 0.160 18210 10638 1 14 . 1 1 56 56 TYR C C 56 176.019 176.019 175.260 0.759 18210 10639 1 14 . 1 1 56 56 TYR CA C 56 57.469 57.469 58.518 -1.049 18210 10640 1 14 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.028 -2.330 18210 10641 1 14 . 1 1 56 56 TYR H H 56 7.637 7.637 7.828 -0.191 18210 10642 1 14 . 1 1 57 57 SER N N 57 117.381 117.381 115.572 1.809 18210 10643 1 14 . 1 1 57 57 SER HA H 57 4.915 4.915 4.784 0.131 18210 10644 1 14 . 1 1 57 57 SER C C 57 173.649 173.649 173.341 0.308 18210 10645 1 14 . 1 1 57 57 SER CA C 57 57.586 57.586 56.908 0.678 18210 10646 1 14 . 1 1 57 57 SER CB C 57 64.766 64.766 64.945 -0.179 18210 10647 1 14 . 1 1 57 57 SER H H 57 9.323 9.323 8.364 0.959 18210 10648 1 14 . 1 1 58 58 VAL N N 58 125.696 125.696 120.458 5.238 18210 10649 1 14 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.474 0.338 18210 10650 1 14 . 1 1 58 58 VAL C C 58 174.911 174.911 175.111 -0.200 18210 10651 1 14 . 1 1 58 58 VAL CA C 58 61.889 61.889 60.861 1.028 18210 10652 1 14 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.218 0.967 18210 10653 1 14 . 1 1 58 58 VAL H H 58 8.474 8.474 8.652 -0.178 18210 10654 1 14 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.995 -0.335 18210 10655 1 14 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.543 0.056 18210 10656 1 14 . 1 1 59 59 GLU CB C 59 32.910 32.910 32.063 0.847 18210 10657 1 14 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.718 -0.018 18210 10658 1 14 . 1 1 60 60 PRO C C 60 176.708 176.708 176.458 0.250 18210 10659 1 14 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.052 -0.321 18210 10660 1 14 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.583 1.423 18210 10661 1 14 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.673 -0.310 18210 10662 1 14 . 1 1 61 61 HIS C C 61 174.320 174.320 174.701 -0.381 18210 10663 1 14 . 1 1 61 61 HIS CA C 61 58.473 58.473 57.256 1.217 18210 10664 1 14 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.031 -2.516 18210 10665 1 14 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.631 0.412 18210 10666 1 14 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.155 -1.817 18210 10667 1 14 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.219 -0.709 18210 10668 1 14 . 1 1 63 63 CYS N N 63 120.346 120.346 118.061 2.285 18210 10669 1 14 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.741 -0.518 18210 10670 1 14 . 1 1 63 63 CYS C C 63 171.976 171.976 175.475 -3.499 18210 10671 1 14 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.244 -0.740 18210 10672 1 14 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.990 13.091 18210 10673 1 14 . 1 1 63 63 CYS H H 63 6.446 6.446 8.245 -1.799 18210 10674 1 14 . 1 1 64 64 PHE N N 64 116.155 116.155 117.352 -1.197 18210 10675 1 14 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.437 -0.217 18210 10676 1 14 . 1 1 64 64 PHE C C 64 177.110 177.110 177.079 0.031 18210 10677 1 14 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.195 0.396 18210 10678 1 14 . 1 1 64 64 PHE CB C 64 41.149 41.149 38.019 3.130 18210 10679 1 14 . 1 1 64 64 PHE H H 64 7.697 7.697 7.718 -0.021 18210 10680 1 14 . 1 1 65 65 VAL N N 65 119.794 119.794 120.252 -0.458 18210 10681 1 14 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.702 0.263 18210 10682 1 14 . 1 1 65 65 VAL C C 65 176.948 176.948 176.254 0.694 18210 10683 1 14 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.828 1.135 18210 10684 1 14 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.819 -0.735 18210 10685 1 14 . 1 1 65 65 VAL H H 65 8.449 8.449 7.128 1.321 18210 10686 1 14 . 1 1 66 66 SER N N 66 113.648 113.648 111.719 1.929 18210 10687 1 14 . 1 1 66 66 SER HA H 66 5.041 5.041 4.681 0.360 18210 10688 1 14 . 1 1 66 66 SER C C 66 173.905 173.905 172.559 1.346 18210 10689 1 14 . 1 1 66 66 SER CA C 66 56.701 56.701 56.608 0.093 18210 10690 1 14 . 1 1 66 66 SER CB C 66 65.738 65.738 64.010 1.728 18210 10691 1 14 . 1 1 66 66 SER H H 66 7.706 7.706 7.570 0.136 18210 10692 1 14 . 1 1 67 67 ALA N N 67 115.370 115.370 127.589 -12.219 18210 10693 1 14 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.396 -0.352 18210 10694 1 14 . 1 1 67 67 ALA C C 67 175.316 175.316 174.631 0.685 18210 10695 1 14 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.723 0.399 18210 10696 1 14 . 1 1 67 67 ALA CB C 67 23.827 23.827 21.028 2.799 18210 10697 1 14 . 1 1 67 67 ALA H H 67 9.280 9.280 8.241 1.039 18210 10698 1 14 . 1 1 68 68 PHE N N 68 116.820 116.820 117.032 -0.212 18210 10699 1 14 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.257 -0.258 18210 10700 1 14 . 1 1 68 68 PHE C C 68 176.533 176.533 176.434 0.099 18210 10701 1 14 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.976 0.562 18210 10702 1 14 . 1 1 68 68 PHE CB C 68 38.964 38.964 40.203 -1.239 18210 10703 1 14 . 1 1 68 68 PHE H H 68 8.520 8.520 8.622 -0.102 18210 10704 1 14 . 1 1 69 69 ASN N N 69 118.203 118.203 119.795 -1.592 18210 10705 1 14 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.829 0.213 18210 10706 1 14 . 1 1 69 69 ASN C C 69 176.820 176.820 177.349 -0.529 18210 10707 1 14 . 1 1 69 69 ASN CA C 69 51.036 51.036 51.999 -0.963 18210 10708 1 14 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.518 -0.024 18210 10709 1 14 . 1 1 69 69 ASN H H 69 8.498 8.498 8.781 -0.283 18210 10710 1 14 . 1 1 70 70 LEU N N 70 118.189 118.189 120.808 -2.619 18210 10711 1 14 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.354 -0.075 18210 10712 1 14 . 1 1 70 70 LEU C C 70 178.484 178.484 177.807 0.677 18210 10713 1 14 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.597 0.167 18210 10714 1 14 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.758 -0.119 18210 10715 1 14 . 1 1 70 70 LEU H H 70 8.514 8.514 8.751 -0.237 18210 10716 1 14 . 1 1 71 71 SER N N 71 113.939 113.939 113.585 0.354 18210 10717 1 14 . 1 1 71 71 SER HA H 71 4.572 4.572 4.466 0.106 18210 10718 1 14 . 1 1 71 71 SER C C 71 174.682 174.682 175.902 -1.220 18210 10719 1 14 . 1 1 71 71 SER CA C 71 58.758 58.758 58.311 0.447 18210 10720 1 14 . 1 1 71 71 SER CB C 71 63.762 63.762 63.062 0.700 18210 10721 1 14 . 1 1 71 71 SER H H 71 8.049 8.049 7.969 0.080 18210 10722 1 14 . 1 1 72 72 GLY N N 72 109.936 109.936 108.861 1.075 18210 10723 1 14 . 1 1 72 72 GLY C C 72 173.549 173.549 173.577 -0.028 18210 10724 1 14 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.848 -0.210 18210 10725 1 14 . 1 1 72 72 GLY H H 72 8.641 8.641 7.939 0.702 18210 10726 1 14 . 1 1 73 73 LYS N N 73 119.884 119.884 119.182 0.702 18210 10727 1 14 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.577 -0.024 18210 10728 1 14 . 1 1 73 73 LYS C C 73 175.750 175.750 175.562 0.188 18210 10729 1 14 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.807 -0.149 18210 10730 1 14 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.939 -0.198 18210 10731 1 14 . 1 1 73 73 LYS H H 73 7.738 7.738 7.812 -0.074 18210 10732 1 14 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.401 0.119 18210 10733 1 14 . 1 1 74 74 ASN C C 74 174.680 174.680 175.074 -0.394 18210 10734 1 14 . 1 1 74 74 ASN CA C 74 54.232 54.232 54.046 0.186 18210 10735 1 14 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.745 0.582 18210 10736 1 14 . 1 1 75 75 GLU N N 75 124.834 124.834 125.379 -0.545 18210 10737 1 14 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.579 0.019 18210 10738 1 14 . 1 1 75 75 GLU C C 75 174.547 174.547 174.130 0.417 18210 10739 1 14 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.250 -0.363 18210 10740 1 14 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.534 -0.626 18210 10741 1 14 . 1 1 75 75 GLU H H 75 8.835 8.835 8.812 0.023 18210 10742 1 14 . 1 1 76 76 ASN N N 76 121.549 121.549 120.024 1.525 18210 10743 1 14 . 1 1 76 76 ASN HA H 76 4.675 4.675 5.103 -0.428 18210 10744 1 14 . 1 1 76 76 ASN C C 76 175.670 175.670 174.589 1.081 18210 10745 1 14 . 1 1 76 76 ASN CA C 76 54.120 54.120 52.887 1.233 18210 10746 1 14 . 1 1 76 76 ASN CB C 76 39.042 39.042 39.482 -0.440 18210 10747 1 14 . 1 1 76 76 ASN H H 76 8.580 8.580 8.649 -0.069 18210 10748 1 14 . 1 1 77 77 LEU N N 77 125.808 125.808 124.966 0.842 18210 10749 1 14 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.483 -0.376 18210 10750 1 14 . 1 1 77 77 LEU C C 77 178.104 178.104 177.220 0.884 18210 10751 1 14 . 1 1 77 77 LEU CA C 77 55.991 55.991 55.403 0.588 18210 10752 1 14 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.838 -0.454 18210 10753 1 14 . 1 1 77 77 LEU H H 77 8.610 8.610 8.379 0.231 18210 10754 1 14 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.160 -0.144 18210 10755 1 14 . 1 1 78 78 GLU C C 78 176.833 176.833 177.786 -0.953 18210 10756 1 14 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.960 0.690 18210 10757 1 14 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.721 0.963 18210 10758 1 14 . 1 1 79 79 ASN N N 79 114.719 114.719 115.726 -1.007 18210 10759 1 14 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.508 0.056 18210 10760 1 14 . 1 1 79 79 ASN C C 79 175.510 175.510 175.960 -0.450 18210 10761 1 14 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.041 -0.649 18210 10762 1 14 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.946 0.772 18210 10763 1 14 . 1 1 79 79 ASN H H 79 8.257 8.257 8.264 -0.007 18210 10764 1 14 . 1 1 80 80 LYS N N 80 118.906 118.906 119.534 -0.628 18210 10765 1 14 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.321 -0.028 18210 10766 1 14 . 1 1 80 80 LYS C C 80 175.748 175.748 176.374 -0.626 18210 10767 1 14 . 1 1 80 80 LYS CA C 80 57.765 57.765 56.553 1.212 18210 10768 1 14 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.936 0.409 18210 10769 1 14 . 1 1 80 80 LYS H H 80 7.818 7.818 7.460 0.358 18210 10770 1 14 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.407 -0.257 18210 10771 1 14 . 1 1 81 81 LEU C C 81 174.688 174.688 174.847 -0.159 18210 10772 1 14 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.765 0.757 18210 10773 1 14 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.315 -1.252 18210 10774 1 14 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.264 -0.095 18210 10775 1 14 . 1 1 82 82 LYS C C 82 175.701 175.701 175.893 -0.192 18210 10776 1 14 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.327 0.841 18210 10777 1 14 . 1 1 82 82 LYS CB C 82 30.017 30.017 30.599 -0.582 18210 10778 1 14 . 1 1 83 83 LEU N N 83 120.762 120.762 125.641 -4.879 18210 10779 1 14 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.363 0.057 18210 10780 1 14 . 1 1 83 83 LEU C C 83 177.184 177.184 177.542 -0.358 18210 10781 1 14 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.799 0.420 18210 10782 1 14 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.649 -0.338 18210 10783 1 14 . 1 1 83 83 LEU H H 83 7.485 7.485 7.708 -0.223 18210 10784 1 14 . 1 1 84 84 THR N N 84 110.955 110.955 113.552 -2.597 18210 10785 1 14 . 1 1 84 84 THR HA H 84 4.712 4.712 4.551 0.161 18210 10786 1 14 . 1 1 84 84 THR C C 84 173.001 173.001 174.054 -1.053 18210 10787 1 14 . 1 1 84 84 THR CA C 84 59.883 59.883 60.614 -0.731 18210 10788 1 14 . 1 1 84 84 THR CB C 84 71.825 71.825 71.749 0.076 18210 10789 1 14 . 1 1 84 84 THR H H 84 8.519 8.519 8.374 0.145 18210 10790 1 14 . 1 1 85 85 ASN N N 85 117.589 117.589 117.823 -0.234 18210 10791 1 14 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.420 -0.274 18210 10792 1 14 . 1 1 85 85 ASN C C 85 173.572 173.572 174.426 -0.854 18210 10793 1 14 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.775 0.544 18210 10794 1 14 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.213 1.695 18210 10795 1 14 . 1 1 85 85 ASN H H 85 8.850 8.850 8.776 0.074 18210 10796 1 14 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.356 -0.064 18210 10797 1 14 . 1 1 86 86 ILE C C 86 177.346 177.346 176.112 1.234 18210 10798 1 14 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.550 1.257 18210 10799 1 14 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.852 -0.153 18210 10800 1 14 . 1 1 87 87 ILE N N 87 131.807 131.807 129.195 2.612 18210 10801 1 14 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.499 -0.244 18210 10802 1 14 . 1 1 87 87 ILE C C 87 174.493 174.493 174.407 0.086 18210 10803 1 14 . 1 1 87 87 ILE CA C 87 60.152 60.152 60.016 0.136 18210 10804 1 14 . 1 1 87 87 ILE CB C 87 41.110 41.110 38.512 2.598 18210 10805 1 14 . 1 1 87 87 ILE H H 87 9.166 9.166 8.563 0.603 18210 10806 1 14 . 1 1 88 88 MET HA H 88 4.017 4.017 4.634 -0.617 18210 10807 1 14 . 1 1 88 88 MET C C 88 173.613 173.613 174.530 -0.917 18210 10808 1 14 . 1 1 88 88 MET CA C 88 53.287 53.287 54.876 -1.589 18210 10809 1 14 . 1 1 88 88 MET CB C 88 33.478 33.478 34.400 -0.922 18210 10810 1 14 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.922 -0.225 18210 10811 1 14 . 1 1 89 89 ASP C C 89 176.750 176.750 175.708 1.042 18210 10812 1 14 . 1 1 89 89 ASP CA C 89 52.101 52.101 53.087 -0.986 18210 10813 1 14 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.261 -1.070 18210 10814 1 14 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.306 0.135 18210 10815 1 14 . 1 1 90 90 HIS C C 90 175.625 175.625 175.834 -0.209 18210 10816 1 14 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.949 -0.695 18210 10817 1 14 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.293 -1.714 18210 10818 1 14 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.245 0.195 18210 10819 1 14 . 1 1 91 91 TYR C C 91 177.915 177.915 175.970 1.945 18210 10820 1 14 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.205 -0.445 18210 10821 1 14 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.623 -0.556 18210 10822 1 14 . 1 1 92 92 ASN N N 92 113.661 113.661 113.590 0.071 18210 10823 1 14 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.501 0.272 18210 10824 1 14 . 1 1 92 92 ASN C C 92 174.762 174.762 174.439 0.323 18210 10825 1 14 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.763 -0.148 18210 10826 1 14 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.349 0.933 18210 10827 1 14 . 1 1 92 92 ASN H H 92 7.713 7.713 8.326 -0.613 18210 10828 1 14 . 1 1 93 93 ASN N N 93 125.176 125.176 115.117 10.059 18210 10829 1 14 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.304 0.405 18210 10830 1 14 . 1 1 93 93 ASN C C 93 172.729 172.729 173.048 -0.319 18210 10831 1 14 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.442 -1.707 18210 10832 1 14 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.536 1.425 18210 10833 1 14 . 1 1 93 93 ASN H H 93 7.804 7.804 7.882 -0.078 18210 10834 1 14 . 1 1 94 94 THR N N 94 109.900 109.900 111.453 -1.553 18210 10835 1 14 . 1 1 94 94 THR HA H 94 4.852 4.852 4.963 -0.111 18210 10836 1 14 . 1 1 94 94 THR C C 94 170.824 170.824 171.599 -0.775 18210 10837 1 14 . 1 1 94 94 THR CA C 94 61.817 61.817 60.089 1.728 18210 10838 1 14 . 1 1 94 94 THR CB C 94 71.074 71.074 71.018 0.056 18210 10839 1 14 . 1 1 94 94 THR H H 94 7.654 7.654 7.342 0.312 18210 10840 1 14 . 1 1 95 95 PHE N N 95 126.721 126.721 124.078 2.643 18210 10841 1 14 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.426 -0.318 18210 10842 1 14 . 1 1 95 95 PHE C C 95 174.143 174.143 174.250 -0.107 18210 10843 1 14 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.467 0.102 18210 10844 1 14 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.749 0.044 18210 10845 1 14 . 1 1 95 95 PHE H H 95 8.166 8.166 7.835 0.331 18210 10846 1 14 . 1 1 96 96 TYR N N 96 115.709 115.709 120.133 -4.424 18210 10847 1 14 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.461 0.606 18210 10848 1 14 . 1 1 96 96 TYR C C 96 175.734 175.734 174.801 0.933 18210 10849 1 14 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.666 -0.235 18210 10850 1 14 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.966 1.201 18210 10851 1 14 . 1 1 96 96 TYR H H 96 9.149 9.149 8.566 0.583 18210 10852 1 14 . 1 1 97 97 SER N N 97 109.503 109.503 114.343 -4.840 18210 10853 1 14 . 1 1 97 97 SER HA H 97 4.430 4.430 5.030 -0.600 18210 10854 1 14 . 1 1 97 97 SER C C 97 170.684 170.684 173.424 -2.740 18210 10855 1 14 . 1 1 97 97 SER CA C 97 59.324 59.324 57.250 2.074 18210 10856 1 14 . 1 1 97 97 SER CB C 97 66.341 66.341 66.148 0.193 18210 10857 1 14 . 1 1 97 97 SER H H 97 8.921 8.921 9.195 -0.274 18210 10858 1 14 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.798 0.596 18210 10859 1 14 . 1 1 98 98 ARG C C 98 175.850 175.850 174.998 0.852 18210 10860 1 14 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.862 -0.686 18210 10861 1 14 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.916 0.211 18210 10862 1 14 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.691 -0.361 18210 10863 1 14 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.196 1.610 18210 10864 1 14 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.200 -1.297 18210 10865 1 14 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.391 0.285 18210 10866 1 14 . 1 1 100 100 PRO C C 100 175.744 175.744 176.711 -0.967 18210 10867 1 14 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.046 -0.757 18210 10868 1 14 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.676 0.110 18210 10869 1 14 . 1 1 101 101 SER HA H 101 4.126 4.126 4.404 -0.278 18210 10870 1 14 . 1 1 101 101 SER C C 101 173.214 173.214 174.018 -0.804 18210 10871 1 14 . 1 1 101 101 SER CA C 101 60.265 60.265 59.816 0.448 18210 10872 1 14 . 1 1 101 101 SER CB C 101 63.660 63.660 63.549 0.111 18210 10873 1 14 . 1 1 102 102 LEU N N 102 121.389 121.389 121.818 -0.429 18210 10874 1 14 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.603 -0.071 18210 10875 1 14 . 1 1 102 102 LEU C C 102 175.187 175.187 175.222 -0.035 18210 10876 1 14 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.799 -0.113 18210 10877 1 14 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.300 0.080 18210 10878 1 14 . 1 1 102 102 LEU H H 102 7.179 7.179 7.422 -0.243 18210 10879 1 14 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.458 -0.015 18210 10880 1 14 . 1 1 103 103 ILE C C 103 175.490 175.490 175.928 -0.438 18210 10881 1 14 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.685 -1.776 18210 10882 1 14 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.299 0.379 18210 10883 1 14 . 1 1 104 104 SER N N 104 120.807 120.807 120.119 0.688 18210 10884 1 14 . 1 1 104 104 SER HA H 104 4.581 4.581 4.624 -0.043 18210 10885 1 14 . 1 1 104 104 SER C C 104 173.234 173.234 174.127 -0.893 18210 10886 1 14 . 1 1 104 104 SER CA C 104 58.166 58.166 58.112 0.054 18210 10887 1 14 . 1 1 104 104 SER CB C 104 64.341 64.341 63.976 0.365 18210 10888 1 14 . 1 1 104 104 SER H H 104 8.471 8.471 8.485 -0.014 18210 10889 1 14 . 1 1 105 105 ASP N N 105 119.103 119.103 121.981 -2.878 18210 10890 1 14 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.824 -0.175 18210 10891 1 14 . 1 1 105 105 ASP C C 105 174.991 174.991 175.736 -0.745 18210 10892 1 14 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.322 -0.588 18210 10893 1 14 . 1 1 105 105 ASP CB C 105 42.477 42.477 41.702 0.775 18210 10894 1 14 . 1 1 105 105 ASP H H 105 8.060 8.060 7.953 0.107 18210 10895 1 14 . 1 1 106 106 ASN N N 106 116.036 116.036 118.298 -2.262 18210 10896 1 14 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.842 -0.107 18210 10897 1 14 . 1 1 106 106 ASN C C 106 174.308 174.308 175.490 -1.182 18210 10898 1 14 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.099 1.681 18210 10899 1 14 . 1 1 106 106 ASN CB C 106 39.022 39.022 37.963 1.059 18210 10900 1 14 . 1 1 106 106 ASN H H 106 8.389 8.389 8.521 -0.132 18210 10901 1 14 . 1 1 107 107 TRP N N 107 119.645 119.645 121.277 -1.632 18210 10902 1 14 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.714 0.115 18210 10903 1 14 . 1 1 107 107 TRP C C 107 174.949 174.949 174.521 0.428 18210 10904 1 14 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.161 0.031 18210 10905 1 14 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.284 2.929 18210 10906 1 14 . 1 1 107 107 TRP H H 107 7.846 7.846 7.896 -0.050 18210 10907 1 14 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.789 0.673 18210 10908 1 14 . 1 1 108 108 LYS C C 108 174.986 174.986 175.281 -0.295 18210 10909 1 14 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.140 1.056 18210 10910 1 14 . 1 1 108 108 LYS CB C 108 36.215 36.215 35.774 0.441 18210 10911 1 14 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.327 0.218 18210 10912 1 14 . 1 1 109 109 PHE C C 109 172.950 172.950 172.591 0.359 18210 10913 1 14 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.414 0.005 18210 10914 1 14 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.206 -0.315 18210 10915 1 14 . 1 1 110 110 PHE N N 110 115.390 115.390 114.528 0.862 18210 10916 1 14 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.164 0.868 18210 10917 1 14 . 1 1 110 110 PHE C C 110 173.892 173.892 173.580 0.312 18210 10918 1 14 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.486 0.746 18210 10919 1 14 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.883 2.483 18210 10920 1 14 . 1 1 110 110 PHE H H 110 9.267 9.267 7.674 1.593 18210 10921 1 14 . 1 1 111 111 CYS N N 111 116.463 116.463 117.734 -1.271 18210 10922 1 14 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.927 0.134 18210 10923 1 14 . 1 1 111 111 CYS C C 111 171.900 171.900 173.138 -1.238 18210 10924 1 14 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.658 -3.806 18210 10925 1 14 . 1 1 111 111 CYS CB C 111 47.830 47.830 30.998 16.831 18210 10926 1 14 . 1 1 111 111 CYS H H 111 9.274 9.274 8.804 0.470 18210 10927 1 14 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.162 0.040 18210 10928 1 14 . 1 1 112 112 VAL C C 112 175.041 175.041 174.403 0.638 18210 10929 1 14 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.437 0.006 18210 10930 1 14 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.261 0.316 18210 10931 1 14 . 1 1 112 112 VAL H H 112 9.605 9.605 8.407 1.198 18210 10932 1 14 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.693 0.067 18210 10933 1 14 . 1 1 113 113 CYS C C 113 173.601 173.601 173.798 -0.197 18210 10934 1 14 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.477 -4.656 18210 10935 1 14 . 1 1 113 113 CYS CB C 113 43.946 43.946 28.905 15.041 18210 10936 1 14 . 1 1 114 114 SER N N 114 117.968 117.968 118.574 -0.606 18210 10937 1 14 . 1 1 114 114 SER HA H 114 5.093 5.093 5.012 0.081 18210 10938 1 14 . 1 1 114 114 SER C C 114 172.267 172.267 172.609 -0.342 18210 10939 1 14 . 1 1 114 114 SER CA C 114 56.677 56.677 57.853 -1.176 18210 10940 1 14 . 1 1 114 114 SER CB C 114 66.795 66.795 65.691 1.104 18210 10941 1 14 . 1 1 114 114 SER H H 114 9.250 9.250 9.182 0.068 18210 10942 1 14 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.493 -0.387 18210 10943 1 14 . 1 1 115 115 LYS C C 115 174.527 174.527 174.553 -0.026 18210 10944 1 14 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.436 0.486 18210 10945 1 14 . 1 1 115 115 LYS CB C 115 34.009 34.009 35.829 -1.820 18210 10946 1 14 . 1 1 115 115 LYS H H 115 8.705 8.705 8.360 0.345 18210 10947 1 14 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.471 -0.280 18210 10948 1 14 . 1 1 116 116 ASP C C 116 176.002 176.002 176.793 -0.791 18210 10949 1 14 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.423 0.891 18210 10950 1 14 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.999 -0.552 18210 10951 1 14 . 1 1 117 117 ASN N N 117 116.913 116.913 118.631 -1.718 18210 10952 1 14 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.298 0.141 18210 10953 1 14 . 1 1 117 117 ASN C C 117 174.246 174.246 173.615 0.631 18210 10954 1 14 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.260 0.173 18210 10955 1 14 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.057 0.125 18210 10956 1 14 . 1 1 117 117 ASN H H 117 8.752 8.752 8.654 0.098 18210 10957 1 14 . 1 1 118 118 GLU N N 118 116.615 116.615 118.639 -2.024 18210 10958 1 14 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.384 0.376 18210 10959 1 14 . 1 1 118 118 GLU C C 118 177.397 177.397 175.427 1.970 18210 10960 1 14 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.381 -1.072 18210 10961 1 14 . 1 1 118 118 GLU CB C 118 31.091 31.091 32.788 -1.697 18210 10962 1 14 . 1 1 118 118 GLU H H 118 7.819 7.819 8.178 -0.359 18210 10963 1 14 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.228 -0.063 18210 10964 1 14 . 1 1 119 119 LYS C C 119 177.626 177.626 176.852 0.774 18210 10965 1 14 . 1 1 119 119 LYS CA C 119 57.540 57.540 56.260 1.280 18210 10966 1 14 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.326 0.519 18210 10967 1 14 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.293 0.012 18210 10968 1 14 . 1 1 120 120 LYS C C 120 174.312 174.312 175.610 -1.298 18210 10969 1 14 . 1 1 120 120 LYS CA C 120 57.106 57.106 56.096 1.010 18210 10970 1 14 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.667 -0.479 18210 10971 1 14 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.274 0.285 18210 10972 1 14 . 1 1 121 121 LEU C C 121 174.893 174.893 175.270 -0.377 18210 10973 1 14 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.519 -0.915 18210 10974 1 14 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.832 -3.226 18210 10975 1 14 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.628 -0.267 18210 10976 1 14 . 1 1 122 122 VAL C C 122 173.909 173.909 174.322 -0.413 18210 10977 1 14 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.165 0.863 18210 10978 1 14 . 1 1 122 122 VAL CB C 122 33.594 33.594 34.454 -0.860 18210 10979 1 14 . 1 1 123 123 PHE HA H 123 5.175 5.175 5.186 -0.011 18210 10980 1 14 . 1 1 123 123 PHE C C 123 173.230 173.230 173.346 -0.116 18210 10981 1 14 . 1 1 123 123 PHE CA C 123 56.314 56.314 55.622 0.692 18210 10982 1 14 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.233 -0.401 18210 10983 1 14 . 1 1 124 124 THR N N 124 121.688 121.688 123.531 -1.843 18210 10984 1 14 . 1 1 124 124 THR HA H 124 4.885 4.885 4.715 0.170 18210 10985 1 14 . 1 1 124 124 THR C C 124 170.874 170.874 172.115 -1.241 18210 10986 1 14 . 1 1 124 124 THR CA C 124 60.087 60.087 59.550 0.537 18210 10987 1 14 . 1 1 124 124 THR CB C 124 70.942 70.942 70.928 0.014 18210 10988 1 14 . 1 1 124 124 THR H H 124 8.493 8.493 8.004 0.489 18210 10989 1 14 . 1 1 125 125 VAL N N 125 125.781 125.781 120.514 5.267 18210 10990 1 14 . 1 1 125 125 VAL HA H 125 4.516 4.516 4.982 -0.466 18210 10991 1 14 . 1 1 125 125 VAL C C 125 173.796 173.796 172.625 1.171 18210 10992 1 14 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.646 1.146 18210 10993 1 14 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.722 -2.488 18210 10994 1 14 . 1 1 125 125 VAL H H 125 8.275 8.275 7.728 0.547 18210 10995 1 14 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.620 0.269 18210 10996 1 14 . 1 1 126 126 GLU C C 126 173.519 173.519 174.379 -0.860 18210 10997 1 14 . 1 1 126 126 GLU CA C 126 53.966 53.966 53.990 -0.024 18210 10998 1 14 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.691 -0.729 18210 10999 1 14 . 1 1 126 126 GLU H H 126 8.262 8.262 7.873 0.389 18210 11000 1 15 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.289 -0.120 18210 11001 1 15 . 1 1 2 2 LYS C C 2 176.160 176.160 176.285 -0.125 18210 11002 1 15 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.909 0.056 18210 11003 1 15 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.185 0.080 18210 11004 1 15 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.197 -0.284 18210 11005 1 15 . 1 1 3 3 VAL C C 3 175.820 175.820 175.334 0.486 18210 11006 1 15 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.368 1.120 18210 11007 1 15 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.541 0.239 18210 11008 1 15 . 1 1 4 4 LYS N N 4 129.029 129.029 127.391 1.638 18210 11009 1 15 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.414 0.093 18210 11010 1 15 . 1 1 4 4 LYS C C 4 174.923 174.923 176.018 -1.095 18210 11011 1 15 . 1 1 4 4 LYS CA C 4 57.303 57.303 57.430 -0.127 18210 11012 1 15 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.941 -0.690 18210 11013 1 15 . 1 1 4 4 LYS H H 4 8.507 8.507 8.347 0.160 18210 11014 1 15 . 1 1 5 5 GLY N N 5 110.242 110.242 110.131 0.111 18210 11015 1 15 . 1 1 5 5 GLY C C 5 173.333 173.333 171.932 1.401 18210 11016 1 15 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.370 0.894 18210 11017 1 15 . 1 1 5 5 GLY H H 5 8.138 8.138 8.180 -0.042 18210 11018 1 15 . 1 1 6 6 CYS N N 6 114.306 114.306 120.345 -6.039 18210 11019 1 15 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.177 0.074 18210 11020 1 15 . 1 1 6 6 CYS C C 6 170.891 170.891 173.163 -2.272 18210 11021 1 15 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.363 -2.513 18210 11022 1 15 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.131 22.019 18210 11023 1 15 . 1 1 6 6 CYS H H 6 6.750 6.750 8.514 -1.764 18210 11024 1 15 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.011 -0.263 18210 11025 1 15 . 1 1 7 7 ASP C C 7 175.607 175.607 175.609 -0.002 18210 11026 1 15 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.227 0.011 18210 11027 1 15 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.178 -0.561 18210 11028 1 15 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.526 0.351 18210 11029 1 15 . 1 1 8 8 PHE C C 8 173.972 173.972 175.730 -1.758 18210 11030 1 15 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.733 0.722 18210 11031 1 15 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.806 0.413 18210 11032 1 15 . 1 1 9 9 THR N N 9 105.421 105.421 112.149 -6.728 18210 11033 1 15 . 1 1 9 9 THR HA H 9 4.611 4.611 4.475 0.136 18210 11034 1 15 . 1 1 9 9 THR C C 9 174.505 174.505 174.183 0.322 18210 11035 1 15 . 1 1 9 9 THR CA C 9 61.988 61.988 63.023 -1.035 18210 11036 1 15 . 1 1 9 9 THR CB C 9 70.385 70.385 70.305 0.080 18210 11037 1 15 . 1 1 9 9 THR H H 9 8.996 8.996 8.168 0.829 18210 11038 1 15 . 1 1 10 10 THR N N 10 118.757 118.757 116.785 1.972 18210 11039 1 15 . 1 1 10 10 THR HA H 10 4.526 4.526 4.635 -0.109 18210 11040 1 15 . 1 1 10 10 THR C C 10 171.202 171.202 174.164 -2.962 18210 11041 1 15 . 1 1 10 10 THR CA C 10 60.774 60.774 61.362 -0.588 18210 11042 1 15 . 1 1 10 10 THR CB C 10 68.040 68.040 71.666 -3.626 18210 11043 1 15 . 1 1 10 10 THR H H 10 7.199 7.199 7.792 -0.593 18210 11044 1 15 . 1 1 11 11 SER N N 11 117.117 117.117 119.662 -2.545 18210 11045 1 15 . 1 1 11 11 SER HA H 11 3.907 3.907 4.285 -0.378 18210 11046 1 15 . 1 1 11 11 SER C C 11 174.988 174.988 174.274 0.714 18210 11047 1 15 . 1 1 11 11 SER CA C 11 59.563 59.563 60.644 -1.081 18210 11048 1 15 . 1 1 11 11 SER CB C 11 63.599 63.599 63.559 0.040 18210 11049 1 15 . 1 1 11 11 SER H H 11 7.997 7.997 8.674 -0.677 18210 11050 1 15 . 1 1 12 12 GLU N N 12 125.013 125.013 120.544 4.469 18210 11051 1 15 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.475 0.090 18210 11052 1 15 . 1 1 12 12 GLU C C 12 175.108 175.108 175.587 -0.479 18210 11053 1 15 . 1 1 12 12 GLU CA C 12 54.259 54.259 54.593 -0.334 18210 11054 1 15 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.725 0.203 18210 11055 1 15 . 1 1 12 12 GLU H H 12 8.375 8.375 8.185 0.190 18210 11056 1 15 . 1 1 13 13 SER N N 13 114.959 114.959 117.855 -2.896 18210 11057 1 15 . 1 1 13 13 SER HA H 13 4.130 4.130 4.435 -0.305 18210 11058 1 15 . 1 1 13 13 SER C C 13 176.833 176.833 175.083 1.750 18210 11059 1 15 . 1 1 13 13 SER CA C 13 58.707 58.707 59.026 -0.319 18210 11060 1 15 . 1 1 13 13 SER CB C 13 63.598 63.598 63.666 -0.069 18210 11061 1 15 . 1 1 13 13 SER H H 13 7.879 7.879 8.088 -0.209 18210 11062 1 15 . 1 1 14 14 THR N N 14 117.688 117.688 119.019 -1.331 18210 11063 1 15 . 1 1 14 14 THR HA H 14 4.348 4.348 4.235 0.113 18210 11064 1 15 . 1 1 14 14 THR C C 14 174.550 174.550 174.747 -0.197 18210 11065 1 15 . 1 1 14 14 THR CA C 14 62.435 62.435 63.341 -0.906 18210 11066 1 15 . 1 1 14 14 THR CB C 14 69.114 69.114 68.772 0.342 18210 11067 1 15 . 1 1 14 14 THR H H 14 8.978 8.978 8.554 0.424 18210 11068 1 15 . 1 1 15 15 ILE N N 15 118.851 118.851 110.713 8.138 18210 11069 1 15 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.227 -0.189 18210 11070 1 15 . 1 1 15 15 ILE C C 15 175.389 175.389 173.847 1.542 18210 11071 1 15 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.920 1.780 18210 11072 1 15 . 1 1 15 15 ILE CB C 15 41.447 41.447 38.887 2.560 18210 11073 1 15 . 1 1 15 15 ILE H H 15 7.947 7.947 7.641 0.306 18210 11074 1 15 . 1 1 16 16 PHE N N 16 116.409 116.409 119.035 -2.626 18210 11075 1 15 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.601 -0.083 18210 11076 1 15 . 1 1 16 16 PHE C C 16 176.700 176.700 176.552 0.148 18210 11077 1 15 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.535 0.927 18210 11078 1 15 . 1 1 16 16 PHE CB C 16 42.712 42.712 41.580 1.132 18210 11079 1 15 . 1 1 16 16 PHE H H 16 7.792 7.792 7.458 0.334 18210 11080 1 15 . 1 1 17 17 SER N N 17 114.126 114.126 116.763 -2.637 18210 11081 1 15 . 1 1 17 17 SER HA H 17 3.984 3.984 4.393 -0.409 18210 11082 1 15 . 1 1 17 17 SER C C 17 174.203 174.203 174.664 -0.461 18210 11083 1 15 . 1 1 17 17 SER CA C 17 61.176 61.176 60.665 0.511 18210 11084 1 15 . 1 1 17 17 SER CB C 17 63.438 63.438 63.801 -0.363 18210 11085 1 15 . 1 1 17 17 SER H H 17 8.666 8.666 9.096 -0.430 18210 11086 1 15 . 1 1 18 18 LYS N N 18 122.828 122.828 120.568 2.260 18210 11087 1 15 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.576 0.182 18210 11088 1 15 . 1 1 18 18 LYS C C 18 174.029 174.029 175.140 -1.111 18210 11089 1 15 . 1 1 18 18 LYS CA C 18 55.661 55.661 54.597 1.064 18210 11090 1 15 . 1 1 18 18 LYS CB C 18 35.049 35.049 34.959 0.090 18210 11091 1 15 . 1 1 18 18 LYS H H 18 8.031 8.031 7.720 0.311 18210 11092 1 15 . 1 1 19 19 GLY N N 19 112.051 112.051 108.823 3.228 18210 11093 1 15 . 1 1 19 19 GLY C C 19 172.307 172.307 172.645 -0.338 18210 11094 1 15 . 1 1 19 19 GLY CA C 19 44.946 44.946 44.706 0.239 18210 11095 1 15 . 1 1 19 19 GLY H H 19 8.092 8.092 8.115 -0.023 18210 11096 1 15 . 1 1 20 20 TYR N N 20 120.060 120.060 119.624 0.436 18210 11097 1 15 . 1 1 20 20 TYR HA H 20 4.570 4.570 5.003 -0.433 18210 11098 1 15 . 1 1 20 20 TYR C C 20 173.557 173.557 174.849 -1.292 18210 11099 1 15 . 1 1 20 20 TYR CA C 20 57.512 57.512 56.460 1.052 18210 11100 1 15 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.466 0.625 18210 11101 1 15 . 1 1 20 20 TYR H H 20 7.968 7.968 8.784 -0.816 18210 11102 1 15 . 1 1 21 21 SER N N 21 115.201 115.201 115.367 -0.166 18210 11103 1 15 . 1 1 21 21 SER HA H 21 4.562 4.562 4.847 -0.285 18210 11104 1 15 . 1 1 21 21 SER C C 21 176.172 176.172 176.139 0.033 18210 11105 1 15 . 1 1 21 21 SER CA C 21 56.537 56.537 56.458 0.079 18210 11106 1 15 . 1 1 21 21 SER CB C 21 65.257 65.257 65.155 0.102 18210 11107 1 15 . 1 1 21 21 SER H H 21 8.761 8.761 8.672 0.089 18210 11108 1 15 . 1 1 22 22 ILE N N 22 122.867 122.867 118.791 4.076 18210 11109 1 15 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.889 0.270 18210 11110 1 15 . 1 1 22 22 ILE C C 22 177.561 177.561 176.071 1.490 18210 11111 1 15 . 1 1 22 22 ILE CA C 22 62.713 62.713 64.044 -1.331 18210 11112 1 15 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.800 0.055 18210 11113 1 15 . 1 1 22 22 ILE H H 22 8.646 8.646 8.691 -0.045 18210 11114 1 15 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.664 -0.119 18210 11115 1 15 . 1 1 23 23 ASN C C 23 176.647 176.647 177.305 -0.658 18210 11116 1 15 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.278 0.228 18210 11117 1 15 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.019 0.434 18210 11118 1 15 . 1 1 24 24 GLU N N 24 118.601 118.601 119.341 -0.740 18210 11119 1 15 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.056 0.230 18210 11120 1 15 . 1 1 24 24 GLU C C 24 177.998 177.998 177.962 0.036 18210 11121 1 15 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.117 -0.811 18210 11122 1 15 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.448 1.210 18210 11123 1 15 . 1 1 24 24 GLU H H 24 7.837 7.837 8.494 -0.657 18210 11124 1 15 . 1 1 25 25 ILE HA H 25 4.173 4.173 3.913 0.260 18210 11125 1 15 . 1 1 25 25 ILE C C 25 176.641 176.641 176.861 -0.220 18210 11126 1 15 . 1 1 25 25 ILE CA C 25 62.612 62.612 63.503 -0.891 18210 11127 1 15 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.005 0.354 18210 11128 1 15 . 1 1 26 26 SER N N 26 116.293 116.293 117.380 -1.087 18210 11129 1 15 . 1 1 26 26 SER HA H 26 4.663 4.663 4.366 0.297 18210 11130 1 15 . 1 1 26 26 SER C C 26 174.462 174.462 174.831 -0.369 18210 11131 1 15 . 1 1 26 26 SER CA C 26 58.392 58.392 59.405 -1.013 18210 11132 1 15 . 1 1 26 26 SER CB C 26 64.380 64.380 64.504 -0.124 18210 11133 1 15 . 1 1 26 26 SER H H 26 7.813 7.813 8.169 -0.356 18210 11134 1 15 . 1 1 27 27 ASN N N 27 121.919 121.919 120.870 1.049 18210 11135 1 15 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.802 -0.081 18210 11136 1 15 . 1 1 27 27 ASN C C 27 175.869 175.869 175.057 0.812 18210 11137 1 15 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.825 0.185 18210 11138 1 15 . 1 1 27 27 ASN CB C 27 38.640 38.640 38.462 0.178 18210 11139 1 15 . 1 1 27 27 ASN H H 27 8.521 8.521 8.592 -0.071 18210 11140 1 15 . 1 1 28 28 LYS N N 28 121.697 121.697 125.787 -4.090 18210 11141 1 15 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.484 -0.124 18210 11142 1 15 . 1 1 28 28 LYS C C 28 176.952 176.952 175.634 1.318 18210 11143 1 15 . 1 1 28 28 LYS CA C 28 56.967 56.967 57.414 -0.447 18210 11144 1 15 . 1 1 28 28 LYS CB C 28 32.730 32.730 34.217 -1.487 18210 11145 1 15 . 1 1 28 28 LYS H H 28 8.367 8.367 8.541 -0.174 18210 11146 1 15 . 1 1 29 29 SER HA H 29 4.498 4.498 4.514 -0.016 18210 11147 1 15 . 1 1 29 29 SER C C 29 174.741 174.741 174.288 0.453 18210 11148 1 15 . 1 1 29 29 SER CA C 29 58.557 58.557 58.129 0.428 18210 11149 1 15 . 1 1 29 29 SER CB C 29 63.945 63.945 63.615 0.330 18210 11150 1 15 . 1 1 30 30 SER N N 30 116.470 116.470 117.236 -0.766 18210 11151 1 15 . 1 1 30 30 SER HA H 30 4.429 4.429 4.486 -0.057 18210 11152 1 15 . 1 1 30 30 SER C C 30 174.467 174.467 175.321 -0.854 18210 11153 1 15 . 1 1 30 30 SER CA C 30 58.616 58.616 58.411 0.205 18210 11154 1 15 . 1 1 30 30 SER CB C 30 63.834 63.834 64.062 -0.228 18210 11155 1 15 . 1 1 30 30 SER H H 30 8.140 8.140 8.068 0.072 18210 11156 1 15 . 1 1 31 31 ASN N N 31 119.457 119.457 119.878 -0.421 18210 11157 1 15 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.579 0.118 18210 11158 1 15 . 1 1 31 31 ASN C C 31 174.930 174.930 175.149 -0.219 18210 11159 1 15 . 1 1 31 31 ASN CA C 31 53.583 53.583 53.476 0.107 18210 11160 1 15 . 1 1 31 31 ASN CB C 31 38.733 38.733 36.269 2.465 18210 11161 1 15 . 1 1 31 31 ASN H H 31 8.354 8.354 8.734 -0.380 18210 11162 1 15 . 1 1 32 32 ASN N N 32 118.038 118.038 117.639 0.399 18210 11163 1 15 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.725 -0.027 18210 11164 1 15 . 1 1 32 32 ASN C C 32 174.979 174.979 175.157 -0.178 18210 11165 1 15 . 1 1 32 32 ASN CA C 32 53.580 53.580 54.192 -0.612 18210 11166 1 15 . 1 1 32 32 ASN CB C 32 38.810 38.810 37.941 0.869 18210 11167 1 15 . 1 1 32 32 ASN H H 32 8.218 8.218 8.542 -0.324 18210 11168 1 15 . 1 1 33 33 GLN N N 33 119.603 119.603 113.352 6.251 18210 11169 1 15 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.415 -0.062 18210 11170 1 15 . 1 1 33 33 GLN C C 33 175.735 175.735 175.952 -0.217 18210 11171 1 15 . 1 1 33 33 GLN CA C 33 55.883 55.883 56.951 -1.068 18210 11172 1 15 . 1 1 33 33 GLN CB C 33 29.131 29.131 29.111 0.020 18210 11173 1 15 . 1 1 33 33 GLN H H 33 8.337 8.337 7.971 0.366 18210 11174 1 15 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.502 -0.224 18210 11175 1 15 . 1 1 34 34 GLN C C 34 175.170 175.170 175.103 0.067 18210 11176 1 15 . 1 1 34 34 GLN CA C 34 56.102 56.102 56.283 -0.181 18210 11177 1 15 . 1 1 34 34 GLN CB C 34 29.870 29.870 31.704 -1.835 18210 11178 1 15 . 1 1 34 34 GLN H H 34 8.087 8.087 8.033 0.054 18210 11179 1 15 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.445 -0.725 18210 11180 1 15 . 1 1 35 35 ASP C C 35 175.810 175.810 175.135 0.675 18210 11181 1 15 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.134 1.158 18210 11182 1 15 . 1 1 35 35 ASP CB C 35 41.462 41.462 43.856 -2.394 18210 11183 1 15 . 1 1 35 35 ASP H H 35 8.033 8.033 7.778 0.255 18210 11184 1 15 . 1 1 36 36 ILE N N 36 122.378 122.378 125.607 -3.229 18210 11185 1 15 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.295 -0.231 18210 11186 1 15 . 1 1 36 36 ILE C C 36 173.823 173.823 174.927 -1.104 18210 11187 1 15 . 1 1 36 36 ILE CA C 36 60.506 60.506 58.761 1.745 18210 11188 1 15 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.631 0.081 18210 11189 1 15 . 1 1 36 36 ILE H H 36 8.421 8.421 8.662 -0.241 18210 11190 1 15 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.779 -0.272 18210 11191 1 15 . 1 1 37 37 VAL C C 37 174.956 174.956 175.727 -0.771 18210 11192 1 15 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.968 0.567 18210 11193 1 15 . 1 1 37 37 VAL CB C 37 32.932 32.932 33.977 -1.045 18210 11194 1 15 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.768 0.013 18210 11195 1 15 . 1 1 38 38 CYS C C 38 172.106 172.106 174.487 -2.381 18210 11196 1 15 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.045 -2.827 18210 11197 1 15 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.138 23.819 18210 11198 1 15 . 1 1 39 39 THR N N 39 123.385 123.385 122.365 1.020 18210 11199 1 15 . 1 1 39 39 THR HA H 39 4.998 4.998 5.045 -0.047 18210 11200 1 15 . 1 1 39 39 THR C C 39 174.687 174.687 174.256 0.431 18210 11201 1 15 . 1 1 39 39 THR CA C 39 61.514 61.514 61.969 -0.455 18210 11202 1 15 . 1 1 39 39 THR CB C 39 69.880 69.880 69.384 0.496 18210 11203 1 15 . 1 1 39 39 THR H H 39 8.229 8.229 8.456 -0.227 18210 11204 1 15 . 1 1 40 40 VAL N N 40 125.782 125.782 121.117 4.665 18210 11205 1 15 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.583 -0.303 18210 11206 1 15 . 1 1 40 40 VAL C C 40 173.622 173.622 174.029 -0.407 18210 11207 1 15 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.591 0.816 18210 11208 1 15 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.201 -0.401 18210 11209 1 15 . 1 1 40 40 VAL H H 40 8.892 8.892 7.907 0.985 18210 11210 1 15 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.629 0.276 18210 11211 1 15 . 1 1 41 41 LYS C C 41 175.624 175.624 175.689 -0.065 18210 11212 1 15 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.244 -0.997 18210 11213 1 15 . 1 1 41 41 LYS CB C 41 31.902 31.902 34.013 -2.111 18210 11214 1 15 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.523 -0.216 18210 11215 1 15 . 1 1 42 42 ALA C C 42 175.028 175.028 175.390 -0.362 18210 11216 1 15 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.401 0.143 18210 11217 1 15 . 1 1 42 42 ALA CB C 42 22.233 22.233 20.833 1.400 18210 11218 1 15 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.769 0.010 18210 11219 1 15 . 1 1 43 43 HIS C C 43 172.767 172.767 174.518 -1.751 18210 11220 1 15 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.786 -2.185 18210 11221 1 15 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.611 -2.312 18210 11222 1 15 . 1 1 43 43 HIS H H 43 8.722 8.722 8.621 0.101 18210 11223 1 15 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.126 -0.086 18210 11224 1 15 . 1 1 44 44 ALA C C 44 178.087 178.087 178.010 0.077 18210 11225 1 15 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.447 -0.585 18210 11226 1 15 . 1 1 44 44 ALA CB C 44 19.024 19.024 19.086 -0.062 18210 11227 1 15 . 1 1 44 44 ALA H H 44 8.468 8.468 8.173 0.295 18210 11228 1 15 . 1 1 45 45 ASN N N 45 113.483 113.483 115.274 -1.791 18210 11229 1 15 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.856 -0.514 18210 11230 1 15 . 1 1 45 45 ASN C C 45 174.441 174.441 175.014 -0.573 18210 11231 1 15 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.608 1.720 18210 11232 1 15 . 1 1 45 45 ASN CB C 45 38.679 38.679 40.077 -1.398 18210 11233 1 15 . 1 1 45 45 ASN H H 45 7.356 7.356 8.254 -0.898 18210 11234 1 15 . 1 1 46 46 ASP N N 46 120.941 120.941 121.394 -0.453 18210 11235 1 15 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.811 -0.220 18210 11236 1 15 . 1 1 46 46 ASP C C 46 175.724 175.724 175.849 -0.125 18210 11237 1 15 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.394 1.775 18210 11238 1 15 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.467 0.052 18210 11239 1 15 . 1 1 46 46 ASP H H 46 7.959 7.959 7.936 0.023 18210 11240 1 15 . 1 1 47 47 LEU N N 47 123.735 123.735 121.349 2.386 18210 11241 1 15 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.452 0.524 18210 11242 1 15 . 1 1 47 47 LEU C C 47 175.735 175.735 176.932 -1.197 18210 11243 1 15 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.850 -0.159 18210 11244 1 15 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.754 0.812 18210 11245 1 15 . 1 1 47 47 LEU H H 47 8.156 8.156 8.562 -0.406 18210 11246 1 15 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.574 0.697 18210 11247 1 15 . 1 1 48 48 ILE C C 48 175.979 175.979 175.250 0.729 18210 11248 1 15 . 1 1 48 48 ILE CA C 48 58.953 58.953 59.016 -0.063 18210 11249 1 15 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.376 2.763 18210 11250 1 15 . 1 1 49 49 GLY N N 49 102.726 102.726 110.912 -8.186 18210 11251 1 15 . 1 1 49 49 GLY C C 49 169.506 169.506 171.764 -2.258 18210 11252 1 15 . 1 1 49 49 GLY CA C 49 48.190 48.190 45.986 2.204 18210 11253 1 15 . 1 1 49 49 GLY H H 49 7.900 7.900 8.380 -0.480 18210 11254 1 15 . 1 1 50 50 PHE N N 50 111.884 111.884 113.719 -1.835 18210 11255 1 15 . 1 1 50 50 PHE HA H 50 3.913 3.913 4.014 -0.101 18210 11256 1 15 . 1 1 50 50 PHE C C 50 171.823 171.823 171.873 -0.050 18210 11257 1 15 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.339 -0.612 18210 11258 1 15 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.917 0.112 18210 11259 1 15 . 1 1 50 50 PHE H H 50 8.248 8.248 7.900 0.348 18210 11260 1 15 . 1 1 51 51 LYS N N 51 117.924 117.924 118.901 -0.977 18210 11261 1 15 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.206 0.178 18210 11262 1 15 . 1 1 51 51 LYS C C 51 176.140 176.140 174.453 1.687 18210 11263 1 15 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.971 -0.550 18210 11264 1 15 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.166 0.754 18210 11265 1 15 . 1 1 51 51 LYS H H 51 7.857 7.857 7.800 0.057 18210 11266 1 15 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.112 -0.091 18210 11267 1 15 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.604 -4.413 18210 11268 1 15 . 1 1 52 52 CYS CB C 52 41.187 41.187 29.507 11.680 18210 11269 1 15 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.389 -0.012 18210 11270 1 15 . 1 1 53 53 PRO C C 53 177.624 177.624 177.179 0.445 18210 11271 1 15 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.379 -0.809 18210 11272 1 15 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.381 -1.125 18210 11273 1 15 . 1 1 54 54 SER HA H 54 4.106 4.106 4.252 -0.146 18210 11274 1 15 . 1 1 54 54 SER C C 54 174.271 174.271 174.591 -0.320 18210 11275 1 15 . 1 1 54 54 SER CA C 54 61.221 61.221 60.110 1.111 18210 11276 1 15 . 1 1 54 54 SER CB C 54 63.243 63.243 63.276 -0.033 18210 11277 1 15 . 1 1 55 55 ASN N N 55 115.116 115.116 117.555 -2.439 18210 11278 1 15 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.871 -0.198 18210 11279 1 15 . 1 1 55 55 ASN C C 55 174.556 174.556 174.058 0.498 18210 11280 1 15 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.629 0.235 18210 11281 1 15 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.921 -1.997 18210 11282 1 15 . 1 1 55 55 ASN H H 55 8.712 8.712 8.299 0.413 18210 11283 1 15 . 1 1 56 56 TYR N N 56 120.489 120.489 118.204 2.285 18210 11284 1 15 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.590 0.102 18210 11285 1 15 . 1 1 56 56 TYR C C 56 176.019 176.019 175.014 1.005 18210 11286 1 15 . 1 1 56 56 TYR CA C 56 57.469 57.469 58.185 -0.716 18210 11287 1 15 . 1 1 56 56 TYR CB C 56 38.698 38.698 40.608 -1.910 18210 11288 1 15 . 1 1 56 56 TYR H H 56 7.637 7.637 7.638 -0.001 18210 11289 1 15 . 1 1 57 57 SER N N 57 117.381 117.381 115.808 1.573 18210 11290 1 15 . 1 1 57 57 SER HA H 57 4.915 4.915 4.828 0.087 18210 11291 1 15 . 1 1 57 57 SER C C 57 173.649 173.649 173.805 -0.156 18210 11292 1 15 . 1 1 57 57 SER CA C 57 57.586 57.586 56.946 0.640 18210 11293 1 15 . 1 1 57 57 SER CB C 57 64.766 64.766 64.359 0.408 18210 11294 1 15 . 1 1 57 57 SER H H 57 9.323 9.323 8.359 0.964 18210 11295 1 15 . 1 1 58 58 VAL N N 58 125.696 125.696 122.774 2.922 18210 11296 1 15 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.437 0.375 18210 11297 1 15 . 1 1 58 58 VAL C C 58 174.911 174.911 175.091 -0.180 18210 11298 1 15 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.373 0.516 18210 11299 1 15 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.530 0.655 18210 11300 1 15 . 1 1 58 58 VAL H H 58 8.474 8.474 8.771 -0.297 18210 11301 1 15 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.878 -0.218 18210 11302 1 15 . 1 1 59 59 GLU CA C 59 52.599 52.599 53.022 -0.423 18210 11303 1 15 . 1 1 59 59 GLU CB C 59 32.910 32.910 32.971 -0.062 18210 11304 1 15 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.612 0.088 18210 11305 1 15 . 1 1 60 60 PRO C C 60 176.708 176.708 176.375 0.333 18210 11306 1 15 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.067 -0.336 18210 11307 1 15 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.486 1.520 18210 11308 1 15 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.630 -0.267 18210 11309 1 15 . 1 1 61 61 HIS C C 61 174.320 174.320 174.669 -0.349 18210 11310 1 15 . 1 1 61 61 HIS CA C 61 58.473 58.473 58.006 0.467 18210 11311 1 15 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.140 -2.625 18210 11312 1 15 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.691 0.352 18210 11313 1 15 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.206 -1.867 18210 11314 1 15 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.462 -0.952 18210 11315 1 15 . 1 1 63 63 CYS N N 63 120.346 120.346 118.010 2.336 18210 11316 1 15 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.719 -0.496 18210 11317 1 15 . 1 1 63 63 CYS C C 63 171.976 171.976 175.454 -3.478 18210 11318 1 15 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.256 -0.752 18210 11319 1 15 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.971 13.110 18210 11320 1 15 . 1 1 63 63 CYS H H 63 6.446 6.446 8.243 -1.797 18210 11321 1 15 . 1 1 64 64 PHE N N 64 116.155 116.155 116.844 -0.689 18210 11322 1 15 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.476 -0.256 18210 11323 1 15 . 1 1 64 64 PHE C C 64 177.110 177.110 177.130 -0.020 18210 11324 1 15 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.080 0.511 18210 11325 1 15 . 1 1 64 64 PHE CB C 64 41.149 41.149 38.013 3.136 18210 11326 1 15 . 1 1 64 64 PHE H H 64 7.697 7.697 7.602 0.095 18210 11327 1 15 . 1 1 65 65 VAL N N 65 119.794 119.794 120.269 -0.475 18210 11328 1 15 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.695 0.270 18210 11329 1 15 . 1 1 65 65 VAL C C 65 176.948 176.948 175.432 1.516 18210 11330 1 15 . 1 1 65 65 VAL CA C 65 66.963 66.963 66.093 0.870 18210 11331 1 15 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.887 -0.803 18210 11332 1 15 . 1 1 65 65 VAL H H 65 8.449 8.449 7.101 1.348 18210 11333 1 15 . 1 1 66 66 SER N N 66 113.648 113.648 109.273 4.375 18210 11334 1 15 . 1 1 66 66 SER HA H 66 5.041 5.041 4.905 0.136 18210 11335 1 15 . 1 1 66 66 SER C C 66 173.905 173.905 172.362 1.543 18210 11336 1 15 . 1 1 66 66 SER CA C 66 56.701 56.701 57.708 -1.007 18210 11337 1 15 . 1 1 66 66 SER CB C 66 65.738 65.738 64.296 1.442 18210 11338 1 15 . 1 1 66 66 SER H H 66 7.706 7.706 7.352 0.354 18210 11339 1 15 . 1 1 67 67 ALA N N 67 115.370 115.370 126.540 -11.170 18210 11340 1 15 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.279 -0.235 18210 11341 1 15 . 1 1 67 67 ALA C C 67 175.316 175.316 174.378 0.938 18210 11342 1 15 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.682 0.440 18210 11343 1 15 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.620 3.207 18210 11344 1 15 . 1 1 67 67 ALA H H 67 9.280 9.280 8.218 1.062 18210 11345 1 15 . 1 1 68 68 PHE N N 68 116.820 116.820 116.980 -0.160 18210 11346 1 15 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.192 -0.193 18210 11347 1 15 . 1 1 68 68 PHE C C 68 176.533 176.533 176.407 0.126 18210 11348 1 15 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.782 0.756 18210 11349 1 15 . 1 1 68 68 PHE CB C 68 38.964 38.964 40.191 -1.227 18210 11350 1 15 . 1 1 68 68 PHE H H 68 8.520 8.520 8.517 0.003 18210 11351 1 15 . 1 1 69 69 ASN N N 69 118.203 118.203 119.404 -1.201 18210 11352 1 15 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.873 0.169 18210 11353 1 15 . 1 1 69 69 ASN C C 69 176.820 176.820 177.331 -0.511 18210 11354 1 15 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.150 -1.114 18210 11355 1 15 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.599 -0.105 18210 11356 1 15 . 1 1 69 69 ASN H H 69 8.498 8.498 8.651 -0.153 18210 11357 1 15 . 1 1 70 70 LEU N N 70 118.189 118.189 120.229 -2.040 18210 11358 1 15 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.449 -0.170 18210 11359 1 15 . 1 1 70 70 LEU C C 70 178.484 178.484 177.774 0.710 18210 11360 1 15 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.733 0.031 18210 11361 1 15 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.595 0.043 18210 11362 1 15 . 1 1 70 70 LEU H H 70 8.514 8.514 8.834 -0.320 18210 11363 1 15 . 1 1 71 71 SER N N 71 113.939 113.939 112.832 1.107 18210 11364 1 15 . 1 1 71 71 SER HA H 71 4.572 4.572 4.474 0.098 18210 11365 1 15 . 1 1 71 71 SER C C 71 174.682 174.682 175.827 -1.145 18210 11366 1 15 . 1 1 71 71 SER CA C 71 58.758 58.758 58.354 0.404 18210 11367 1 15 . 1 1 71 71 SER CB C 71 63.762 63.762 63.698 0.064 18210 11368 1 15 . 1 1 71 71 SER H H 71 8.049 8.049 7.917 0.132 18210 11369 1 15 . 1 1 72 72 GLY N N 72 109.936 109.936 110.843 -0.907 18210 11370 1 15 . 1 1 72 72 GLY C C 72 173.549 173.549 174.131 -0.582 18210 11371 1 15 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.717 -0.079 18210 11372 1 15 . 1 1 72 72 GLY H H 72 8.641 8.641 8.093 0.548 18210 11373 1 15 . 1 1 73 73 LYS N N 73 119.884 119.884 120.267 -0.383 18210 11374 1 15 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.584 -0.031 18210 11375 1 15 . 1 1 73 73 LYS C C 73 175.750 175.750 175.718 0.032 18210 11376 1 15 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.173 0.485 18210 11377 1 15 . 1 1 73 73 LYS CB C 73 33.741 33.741 34.021 -0.280 18210 11378 1 15 . 1 1 73 73 LYS H H 73 7.738 7.738 7.574 0.164 18210 11379 1 15 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.595 -0.075 18210 11380 1 15 . 1 1 74 74 ASN C C 74 174.680 174.680 174.952 -0.272 18210 11381 1 15 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.630 0.602 18210 11382 1 15 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.991 0.336 18210 11383 1 15 . 1 1 75 75 GLU N N 75 124.834 124.834 124.606 0.228 18210 11384 1 15 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.488 0.110 18210 11385 1 15 . 1 1 75 75 GLU C C 75 174.547 174.547 174.169 0.378 18210 11386 1 15 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.307 -0.420 18210 11387 1 15 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.261 -0.353 18210 11388 1 15 . 1 1 75 75 GLU H H 75 8.835 8.835 8.769 0.066 18210 11389 1 15 . 1 1 76 76 ASN N N 76 121.549 121.549 119.233 2.316 18210 11390 1 15 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.929 -0.254 18210 11391 1 15 . 1 1 76 76 ASN C C 76 175.670 175.670 174.981 0.689 18210 11392 1 15 . 1 1 76 76 ASN CA C 76 54.120 54.120 53.145 0.975 18210 11393 1 15 . 1 1 76 76 ASN CB C 76 39.042 39.042 39.221 -0.179 18210 11394 1 15 . 1 1 76 76 ASN H H 76 8.580 8.580 8.652 -0.072 18210 11395 1 15 . 1 1 77 77 LEU N N 77 125.808 125.808 124.184 1.624 18210 11396 1 15 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.582 -0.475 18210 11397 1 15 . 1 1 77 77 LEU C C 77 178.104 178.104 177.409 0.695 18210 11398 1 15 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.600 1.391 18210 11399 1 15 . 1 1 77 77 LEU CB C 77 42.384 42.384 43.066 -0.683 18210 11400 1 15 . 1 1 77 77 LEU H H 77 8.610 8.610 8.209 0.402 18210 11401 1 15 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.080 -0.064 18210 11402 1 15 . 1 1 78 78 GLU C C 78 176.833 176.833 177.801 -0.968 18210 11403 1 15 . 1 1 78 78 GLU CA C 78 59.650 59.650 59.103 0.547 18210 11404 1 15 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.586 1.098 18210 11405 1 15 . 1 1 79 79 ASN N N 79 114.719 114.719 116.216 -1.497 18210 11406 1 15 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.473 0.091 18210 11407 1 15 . 1 1 79 79 ASN C C 79 175.510 175.510 176.586 -1.076 18210 11408 1 15 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.231 -0.839 18210 11409 1 15 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.798 0.920 18210 11410 1 15 . 1 1 79 79 ASN H H 79 8.257 8.257 8.485 -0.228 18210 11411 1 15 . 1 1 80 80 LYS N N 80 118.906 118.906 119.496 -0.590 18210 11412 1 15 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.229 0.064 18210 11413 1 15 . 1 1 80 80 LYS C C 80 175.748 175.748 176.869 -1.121 18210 11414 1 15 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.121 0.644 18210 11415 1 15 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.321 1.024 18210 11416 1 15 . 1 1 80 80 LYS H H 80 7.818 7.818 7.290 0.528 18210 11417 1 15 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.349 -0.199 18210 11418 1 15 . 1 1 81 81 LEU C C 81 174.688 174.688 174.994 -0.306 18210 11419 1 15 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.662 0.860 18210 11420 1 15 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.543 -1.480 18210 11421 1 15 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.177 -0.008 18210 11422 1 15 . 1 1 82 82 LYS C C 82 175.701 175.701 175.795 -0.094 18210 11423 1 15 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.458 0.710 18210 11424 1 15 . 1 1 82 82 LYS CB C 82 30.017 30.017 29.994 0.023 18210 11425 1 15 . 1 1 83 83 LEU N N 83 120.762 120.762 124.822 -4.060 18210 11426 1 15 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.313 0.107 18210 11427 1 15 . 1 1 83 83 LEU C C 83 177.184 177.184 177.706 -0.522 18210 11428 1 15 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.781 0.438 18210 11429 1 15 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.529 -0.218 18210 11430 1 15 . 1 1 83 83 LEU H H 83 7.485 7.485 7.824 -0.339 18210 11431 1 15 . 1 1 84 84 THR N N 84 110.955 110.955 115.516 -4.561 18210 11432 1 15 . 1 1 84 84 THR HA H 84 4.712 4.712 4.545 0.167 18210 11433 1 15 . 1 1 84 84 THR C C 84 173.001 173.001 173.867 -0.866 18210 11434 1 15 . 1 1 84 84 THR CA C 84 59.883 59.883 60.789 -0.906 18210 11435 1 15 . 1 1 84 84 THR CB C 84 71.825 71.825 72.098 -0.273 18210 11436 1 15 . 1 1 84 84 THR H H 84 8.519 8.519 8.317 0.202 18210 11437 1 15 . 1 1 85 85 ASN N N 85 117.589 117.589 117.181 0.408 18210 11438 1 15 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.401 -0.255 18210 11439 1 15 . 1 1 85 85 ASN C C 85 173.572 173.572 174.420 -0.848 18210 11440 1 15 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.837 0.482 18210 11441 1 15 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.107 1.801 18210 11442 1 15 . 1 1 85 85 ASN H H 85 8.850 8.850 8.763 0.087 18210 11443 1 15 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.199 0.093 18210 11444 1 15 . 1 1 86 86 ILE C C 86 177.346 177.346 176.053 1.293 18210 11445 1 15 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.535 1.272 18210 11446 1 15 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.875 -0.176 18210 11447 1 15 . 1 1 87 87 ILE N N 87 131.807 131.807 129.092 2.715 18210 11448 1 15 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.511 -0.256 18210 11449 1 15 . 1 1 87 87 ILE C C 87 174.493 174.493 174.442 0.051 18210 11450 1 15 . 1 1 87 87 ILE CA C 87 60.152 60.152 59.968 0.184 18210 11451 1 15 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.040 2.070 18210 11452 1 15 . 1 1 87 87 ILE H H 87 9.166 9.166 8.450 0.716 18210 11453 1 15 . 1 1 88 88 MET HA H 88 4.017 4.017 4.608 -0.591 18210 11454 1 15 . 1 1 88 88 MET C C 88 173.613 173.613 174.368 -0.755 18210 11455 1 15 . 1 1 88 88 MET CA C 88 53.287 53.287 54.770 -1.483 18210 11456 1 15 . 1 1 88 88 MET CB C 88 33.478 33.478 34.485 -1.007 18210 11457 1 15 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.805 -0.108 18210 11458 1 15 . 1 1 89 89 ASP C C 89 176.750 176.750 175.878 0.872 18210 11459 1 15 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.181 -0.079 18210 11460 1 15 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.914 -1.723 18210 11461 1 15 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.325 0.116 18210 11462 1 15 . 1 1 90 90 HIS C C 90 175.625 175.625 176.195 -0.570 18210 11463 1 15 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.854 -0.600 18210 11464 1 15 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.150 -1.571 18210 11465 1 15 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.246 0.194 18210 11466 1 15 . 1 1 91 91 TYR C C 91 177.915 177.915 175.423 2.492 18210 11467 1 15 . 1 1 91 91 TYR CA C 91 60.760 60.760 60.864 -0.104 18210 11468 1 15 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.755 -0.688 18210 11469 1 15 . 1 1 92 92 ASN N N 92 113.661 113.661 113.462 0.199 18210 11470 1 15 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.524 0.249 18210 11471 1 15 . 1 1 92 92 ASN C C 92 174.762 174.762 174.448 0.314 18210 11472 1 15 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.612 0.003 18210 11473 1 15 . 1 1 92 92 ASN CB C 92 39.282 39.282 39.223 0.059 18210 11474 1 15 . 1 1 92 92 ASN H H 92 7.713 7.713 7.855 -0.142 18210 11475 1 15 . 1 1 93 93 ASN N N 93 125.176 125.176 114.365 10.811 18210 11476 1 15 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.302 0.407 18210 11477 1 15 . 1 1 93 93 ASN C C 93 172.729 172.729 173.131 -0.402 18210 11478 1 15 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.570 -1.835 18210 11479 1 15 . 1 1 93 93 ASN CB C 93 37.961 37.961 37.112 0.848 18210 11480 1 15 . 1 1 93 93 ASN H H 93 7.804 7.804 7.803 0.001 18210 11481 1 15 . 1 1 94 94 THR N N 94 109.900 109.900 111.872 -1.972 18210 11482 1 15 . 1 1 94 94 THR HA H 94 4.852 4.852 4.898 -0.046 18210 11483 1 15 . 1 1 94 94 THR C C 94 170.824 170.824 171.649 -0.825 18210 11484 1 15 . 1 1 94 94 THR CA C 94 61.817 61.817 60.554 1.263 18210 11485 1 15 . 1 1 94 94 THR CB C 94 71.074 71.074 70.955 0.119 18210 11486 1 15 . 1 1 94 94 THR H H 94 7.654 7.654 7.324 0.330 18210 11487 1 15 . 1 1 95 95 PHE N N 95 126.721 126.721 124.968 1.753 18210 11488 1 15 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.191 -0.083 18210 11489 1 15 . 1 1 95 95 PHE C C 95 174.143 174.143 174.162 -0.019 18210 11490 1 15 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.641 -0.072 18210 11491 1 15 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.473 0.320 18210 11492 1 15 . 1 1 95 95 PHE H H 95 8.166 8.166 7.891 0.275 18210 11493 1 15 . 1 1 96 96 TYR N N 96 115.709 115.709 119.934 -4.225 18210 11494 1 15 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.408 0.659 18210 11495 1 15 . 1 1 96 96 TYR C C 96 175.734 175.734 175.166 0.568 18210 11496 1 15 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.638 -0.206 18210 11497 1 15 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.773 1.394 18210 11498 1 15 . 1 1 96 96 TYR H H 96 9.149 9.149 8.608 0.541 18210 11499 1 15 . 1 1 97 97 SER N N 97 109.503 109.503 114.424 -4.921 18210 11500 1 15 . 1 1 97 97 SER HA H 97 4.430 4.430 4.952 -0.522 18210 11501 1 15 . 1 1 97 97 SER C C 97 170.684 170.684 173.161 -2.477 18210 11502 1 15 . 1 1 97 97 SER CA C 97 59.324 59.324 57.665 1.659 18210 11503 1 15 . 1 1 97 97 SER CB C 97 66.341 66.341 67.030 -0.689 18210 11504 1 15 . 1 1 97 97 SER H H 97 8.921 8.921 9.250 -0.329 18210 11505 1 15 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.756 0.638 18210 11506 1 15 . 1 1 98 98 ARG C C 98 175.850 175.850 175.158 0.692 18210 11507 1 15 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.830 -0.654 18210 11508 1 15 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.320 0.807 18210 11509 1 15 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.625 -0.295 18210 11510 1 15 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.248 1.558 18210 11511 1 15 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.020 -1.117 18210 11512 1 15 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.381 0.295 18210 11513 1 15 . 1 1 100 100 PRO C C 100 175.744 175.744 176.822 -1.078 18210 11514 1 15 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.080 -0.791 18210 11515 1 15 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.675 0.111 18210 11516 1 15 . 1 1 101 101 SER HA H 101 4.126 4.126 4.318 -0.192 18210 11517 1 15 . 1 1 101 101 SER C C 101 173.214 173.214 174.097 -0.883 18210 11518 1 15 . 1 1 101 101 SER CA C 101 60.265 60.265 60.318 -0.053 18210 11519 1 15 . 1 1 101 101 SER CB C 101 63.660 63.660 63.467 0.193 18210 11520 1 15 . 1 1 102 102 LEU N N 102 121.389 121.389 121.409 -0.020 18210 11521 1 15 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.557 -0.025 18210 11522 1 15 . 1 1 102 102 LEU C C 102 175.187 175.187 175.129 0.058 18210 11523 1 15 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.558 0.128 18210 11524 1 15 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.163 0.217 18210 11525 1 15 . 1 1 102 102 LEU H H 102 7.179 7.179 7.383 -0.204 18210 11526 1 15 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.446 -0.003 18210 11527 1 15 . 1 1 103 103 ILE C C 103 175.490 175.490 175.591 -0.101 18210 11528 1 15 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.284 -1.375 18210 11529 1 15 . 1 1 103 103 ILE CB C 103 39.678 39.678 40.064 -0.386 18210 11530 1 15 . 1 1 104 104 SER N N 104 120.807 120.807 120.660 0.147 18210 11531 1 15 . 1 1 104 104 SER HA H 104 4.581 4.581 4.768 -0.187 18210 11532 1 15 . 1 1 104 104 SER C C 104 173.234 173.234 173.050 0.184 18210 11533 1 15 . 1 1 104 104 SER CA C 104 58.166 58.166 57.979 0.187 18210 11534 1 15 . 1 1 104 104 SER CB C 104 64.341 64.341 63.803 0.538 18210 11535 1 15 . 1 1 104 104 SER H H 104 8.471 8.471 8.257 0.214 18210 11536 1 15 . 1 1 105 105 ASP N N 105 119.103 119.103 121.206 -2.103 18210 11537 1 15 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.811 -0.162 18210 11538 1 15 . 1 1 105 105 ASP C C 105 174.991 174.991 174.687 0.304 18210 11539 1 15 . 1 1 105 105 ASP CA C 105 53.734 53.734 53.574 0.160 18210 11540 1 15 . 1 1 105 105 ASP CB C 105 42.477 42.477 43.299 -0.822 18210 11541 1 15 . 1 1 105 105 ASP H H 105 8.060 8.060 7.950 0.110 18210 11542 1 15 . 1 1 106 106 ASN N N 106 116.036 116.036 119.324 -3.288 18210 11543 1 15 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.895 -0.160 18210 11544 1 15 . 1 1 106 106 ASN C C 106 174.308 174.308 175.420 -1.112 18210 11545 1 15 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.780 1.000 18210 11546 1 15 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.403 0.619 18210 11547 1 15 . 1 1 106 106 ASN H H 106 8.389 8.389 8.541 -0.152 18210 11548 1 15 . 1 1 107 107 TRP N N 107 119.645 119.645 121.344 -1.699 18210 11549 1 15 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.785 0.044 18210 11550 1 15 . 1 1 107 107 TRP C C 107 174.949 174.949 174.868 0.081 18210 11551 1 15 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.090 0.102 18210 11552 1 15 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.598 2.615 18210 11553 1 15 . 1 1 107 107 TRP H H 107 7.846 7.846 8.677 -0.831 18210 11554 1 15 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.626 0.836 18210 11555 1 15 . 1 1 108 108 LYS C C 108 174.986 174.986 174.739 0.247 18210 11556 1 15 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.411 0.785 18210 11557 1 15 . 1 1 108 108 LYS CB C 108 36.215 36.215 35.922 0.293 18210 11558 1 15 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.332 0.213 18210 11559 1 15 . 1 1 109 109 PHE C C 109 172.950 172.950 172.450 0.500 18210 11560 1 15 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.380 0.040 18210 11561 1 15 . 1 1 109 109 PHE CB C 109 41.891 41.891 41.777 0.114 18210 11562 1 15 . 1 1 110 110 PHE N N 110 115.390 115.390 114.578 0.812 18210 11563 1 15 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.130 0.902 18210 11564 1 15 . 1 1 110 110 PHE C C 110 173.892 173.892 173.568 0.324 18210 11565 1 15 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.557 0.675 18210 11566 1 15 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.845 2.521 18210 11567 1 15 . 1 1 110 110 PHE H H 110 9.267 9.267 7.681 1.586 18210 11568 1 15 . 1 1 111 111 CYS N N 111 116.463 116.463 117.924 -1.461 18210 11569 1 15 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.917 0.144 18210 11570 1 15 . 1 1 111 111 CYS C C 111 171.900 171.900 173.137 -1.237 18210 11571 1 15 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.621 -3.769 18210 11572 1 15 . 1 1 111 111 CYS CB C 111 47.830 47.830 30.857 16.973 18210 11573 1 15 . 1 1 111 111 CYS H H 111 9.274 9.274 8.853 0.421 18210 11574 1 15 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.094 0.108 18210 11575 1 15 . 1 1 112 112 VAL C C 112 175.041 175.041 174.336 0.705 18210 11576 1 15 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.432 0.011 18210 11577 1 15 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.216 0.361 18210 11578 1 15 . 1 1 112 112 VAL H H 112 9.605 9.605 8.375 1.230 18210 11579 1 15 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.542 0.218 18210 11580 1 15 . 1 1 113 113 CYS C C 113 173.601 173.601 173.741 -0.140 18210 11581 1 15 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.401 -4.580 18210 11582 1 15 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.039 14.907 18210 11583 1 15 . 1 1 114 114 SER N N 114 117.968 117.968 118.694 -0.726 18210 11584 1 15 . 1 1 114 114 SER HA H 114 5.093 5.093 5.030 0.063 18210 11585 1 15 . 1 1 114 114 SER C C 114 172.267 172.267 172.417 -0.150 18210 11586 1 15 . 1 1 114 114 SER CA C 114 56.677 56.677 57.923 -1.246 18210 11587 1 15 . 1 1 114 114 SER CB C 114 66.795 66.795 65.368 1.427 18210 11588 1 15 . 1 1 114 114 SER H H 114 9.250 9.250 9.265 -0.015 18210 11589 1 15 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.504 -0.398 18210 11590 1 15 . 1 1 115 115 LYS C C 115 174.527 174.527 174.247 0.280 18210 11591 1 15 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.272 0.650 18210 11592 1 15 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.467 -2.458 18210 11593 1 15 . 1 1 115 115 LYS H H 115 8.705 8.705 8.565 0.140 18210 11594 1 15 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.448 -0.257 18210 11595 1 15 . 1 1 116 116 ASP C C 116 176.002 176.002 176.273 -0.271 18210 11596 1 15 . 1 1 116 116 ASP CA C 116 56.314 56.314 54.602 1.712 18210 11597 1 15 . 1 1 116 116 ASP CB C 116 40.447 40.447 41.110 -0.663 18210 11598 1 15 . 1 1 117 117 ASN N N 117 116.913 116.913 117.537 -0.624 18210 11599 1 15 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.303 0.136 18210 11600 1 15 . 1 1 117 117 ASN C C 117 174.246 174.246 173.529 0.717 18210 11601 1 15 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.122 0.311 18210 11602 1 15 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.231 -0.049 18210 11603 1 15 . 1 1 117 117 ASN H H 117 8.752 8.752 8.651 0.101 18210 11604 1 15 . 1 1 118 118 GLU N N 118 116.615 116.615 117.945 -1.330 18210 11605 1 15 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.445 0.315 18210 11606 1 15 . 1 1 118 118 GLU C C 118 177.397 177.397 175.591 1.806 18210 11607 1 15 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.358 -1.049 18210 11608 1 15 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.144 -2.053 18210 11609 1 15 . 1 1 118 118 GLU H H 118 7.819 7.819 8.206 -0.387 18210 11610 1 15 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.140 0.025 18210 11611 1 15 . 1 1 119 119 LYS C C 119 177.626 177.626 176.507 1.119 18210 11612 1 15 . 1 1 119 119 LYS CA C 119 57.540 57.540 57.161 0.379 18210 11613 1 15 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.815 0.030 18210 11614 1 15 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.473 -0.168 18210 11615 1 15 . 1 1 120 120 LYS C C 120 174.312 174.312 175.414 -1.102 18210 11616 1 15 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.517 1.589 18210 11617 1 15 . 1 1 120 120 LYS CB C 120 33.188 33.188 34.068 -0.880 18210 11618 1 15 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.335 0.224 18210 11619 1 15 . 1 1 121 121 LEU C C 121 174.893 174.893 175.149 -0.256 18210 11620 1 15 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.484 -0.881 18210 11621 1 15 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.378 -2.772 18210 11622 1 15 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.613 -0.252 18210 11623 1 15 . 1 1 122 122 VAL C C 122 173.909 173.909 174.316 -0.407 18210 11624 1 15 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.132 0.896 18210 11625 1 15 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.875 -0.281 18210 11626 1 15 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.789 0.386 18210 11627 1 15 . 1 1 123 123 PHE C C 123 173.230 173.230 172.981 0.249 18210 11628 1 15 . 1 1 123 123 PHE CA C 123 56.314 56.314 55.986 0.328 18210 11629 1 15 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.326 -0.494 18210 11630 1 15 . 1 1 124 124 THR N N 124 121.688 121.688 123.699 -2.011 18210 11631 1 15 . 1 1 124 124 THR HA H 124 4.885 4.885 4.653 0.232 18210 11632 1 15 . 1 1 124 124 THR C C 124 170.874 170.874 172.238 -1.364 18210 11633 1 15 . 1 1 124 124 THR CA C 124 60.087 60.087 59.837 0.250 18210 11634 1 15 . 1 1 124 124 THR CB C 124 70.942 70.942 70.977 -0.035 18210 11635 1 15 . 1 1 124 124 THR H H 124 8.493 8.493 8.047 0.446 18210 11636 1 15 . 1 1 125 125 VAL N N 125 125.781 125.781 120.304 5.477 18210 11637 1 15 . 1 1 125 125 VAL HA H 125 4.516 4.516 4.975 -0.459 18210 11638 1 15 . 1 1 125 125 VAL C C 125 173.796 173.796 173.062 0.734 18210 11639 1 15 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.492 1.300 18210 11640 1 15 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.230 -1.996 18210 11641 1 15 . 1 1 125 125 VAL H H 125 8.275 8.275 7.740 0.535 18210 11642 1 15 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.736 0.153 18210 11643 1 15 . 1 1 126 126 GLU C C 126 173.519 173.519 174.592 -1.073 18210 11644 1 15 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.510 -0.544 18210 11645 1 15 . 1 1 126 126 GLU CB C 126 32.962 32.962 34.267 -1.304 18210 11646 1 15 . 1 1 126 126 GLU H H 126 8.262 8.262 7.778 0.484 18210 11647 1 16 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.448 -0.279 18210 11648 1 16 . 1 1 2 2 LYS C C 2 176.160 176.160 176.003 0.157 18210 11649 1 16 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.858 0.107 18210 11650 1 16 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.194 0.071 18210 11651 1 16 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.167 -0.254 18210 11652 1 16 . 1 1 3 3 VAL C C 3 175.820 175.820 175.081 0.739 18210 11653 1 16 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.893 0.595 18210 11654 1 16 . 1 1 3 3 VAL CB C 3 32.780 32.780 33.503 -0.723 18210 11655 1 16 . 1 1 4 4 LYS N N 4 129.029 129.029 128.871 0.158 18210 11656 1 16 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.512 -0.005 18210 11657 1 16 . 1 1 4 4 LYS C C 4 174.923 174.923 175.747 -0.824 18210 11658 1 16 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.767 0.536 18210 11659 1 16 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.333 -0.082 18210 11660 1 16 . 1 1 4 4 LYS H H 4 8.507 8.507 8.364 0.143 18210 11661 1 16 . 1 1 5 5 GLY N N 5 110.242 110.242 109.629 0.613 18210 11662 1 16 . 1 1 5 5 GLY C C 5 173.333 173.333 171.848 1.485 18210 11663 1 16 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.459 0.805 18210 11664 1 16 . 1 1 5 5 GLY H H 5 8.138 8.138 8.025 0.113 18210 11665 1 16 . 1 1 6 6 CYS N N 6 114.306 114.306 119.905 -5.599 18210 11666 1 16 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.004 0.247 18210 11667 1 16 . 1 1 6 6 CYS C C 6 170.891 170.891 173.020 -2.129 18210 11668 1 16 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.508 -2.658 18210 11669 1 16 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.476 21.674 18210 11670 1 16 . 1 1 6 6 CYS H H 6 6.750 6.750 8.307 -1.557 18210 11671 1 16 . 1 1 7 7 ASP HA H 7 4.748 4.748 5.075 -0.327 18210 11672 1 16 . 1 1 7 7 ASP C C 7 175.607 175.607 175.576 0.031 18210 11673 1 16 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.403 -0.165 18210 11674 1 16 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.018 -0.401 18210 11675 1 16 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.615 0.262 18210 11676 1 16 . 1 1 8 8 PHE C C 8 173.972 173.972 175.508 -1.536 18210 11677 1 16 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.790 0.665 18210 11678 1 16 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.962 0.257 18210 11679 1 16 . 1 1 9 9 THR N N 9 105.421 105.421 112.524 -7.103 18210 11680 1 16 . 1 1 9 9 THR HA H 9 4.611 4.611 4.476 0.135 18210 11681 1 16 . 1 1 9 9 THR C C 9 174.505 174.505 174.631 -0.126 18210 11682 1 16 . 1 1 9 9 THR CA C 9 61.988 61.988 62.811 -0.823 18210 11683 1 16 . 1 1 9 9 THR CB C 9 70.385 70.385 70.553 -0.168 18210 11684 1 16 . 1 1 9 9 THR H H 9 8.996 8.996 7.761 1.235 18210 11685 1 16 . 1 1 10 10 THR N N 10 118.757 118.757 116.288 2.469 18210 11686 1 16 . 1 1 10 10 THR HA H 10 4.526 4.526 4.608 -0.082 18210 11687 1 16 . 1 1 10 10 THR C C 10 171.202 171.202 173.771 -2.569 18210 11688 1 16 . 1 1 10 10 THR CA C 10 60.774 60.774 61.006 -0.232 18210 11689 1 16 . 1 1 10 10 THR CB C 10 68.040 68.040 71.782 -3.743 18210 11690 1 16 . 1 1 10 10 THR H H 10 7.199 7.199 7.538 -0.339 18210 11691 1 16 . 1 1 11 11 SER N N 11 117.117 117.117 117.654 -0.537 18210 11692 1 16 . 1 1 11 11 SER HA H 11 3.907 3.907 4.304 -0.397 18210 11693 1 16 . 1 1 11 11 SER C C 11 174.988 174.988 175.029 -0.041 18210 11694 1 16 . 1 1 11 11 SER CA C 11 59.563 59.563 60.912 -1.349 18210 11695 1 16 . 1 1 11 11 SER CB C 11 63.599 63.599 63.515 0.084 18210 11696 1 16 . 1 1 11 11 SER H H 11 7.997 7.997 8.735 -0.738 18210 11697 1 16 . 1 1 12 12 GLU N N 12 125.013 125.013 119.892 5.121 18210 11698 1 16 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.441 0.124 18210 11699 1 16 . 1 1 12 12 GLU C C 12 175.108 175.108 175.064 0.044 18210 11700 1 16 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.302 -1.043 18210 11701 1 16 . 1 1 12 12 GLU CB C 12 28.928 28.928 29.072 -0.144 18210 11702 1 16 . 1 1 12 12 GLU H H 12 8.375 8.375 8.360 0.015 18210 11703 1 16 . 1 1 13 13 SER N N 13 114.959 114.959 116.767 -1.808 18210 11704 1 16 . 1 1 13 13 SER HA H 13 4.130 4.130 4.466 -0.336 18210 11705 1 16 . 1 1 13 13 SER C C 13 176.833 176.833 174.707 2.126 18210 11706 1 16 . 1 1 13 13 SER CA C 13 58.707 58.707 59.291 -0.584 18210 11707 1 16 . 1 1 13 13 SER CB C 13 63.598 63.598 64.172 -0.574 18210 11708 1 16 . 1 1 13 13 SER H H 13 7.879 7.879 8.083 -0.204 18210 11709 1 16 . 1 1 14 14 THR N N 14 117.688 117.688 115.221 2.467 18210 11710 1 16 . 1 1 14 14 THR HA H 14 4.348 4.348 4.430 -0.082 18210 11711 1 16 . 1 1 14 14 THR C C 14 174.550 174.550 175.245 -0.695 18210 11712 1 16 . 1 1 14 14 THR CA C 14 62.435 62.435 62.647 -0.212 18210 11713 1 16 . 1 1 14 14 THR CB C 14 69.114 69.114 68.758 0.356 18210 11714 1 16 . 1 1 14 14 THR H H 14 8.978 8.978 8.700 0.278 18210 11715 1 16 . 1 1 15 15 ILE N N 15 118.851 118.851 113.771 5.080 18210 11716 1 16 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.238 -0.200 18210 11717 1 16 . 1 1 15 15 ILE C C 15 175.389 175.389 173.769 1.620 18210 11718 1 16 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.632 2.068 18210 11719 1 16 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.297 2.150 18210 11720 1 16 . 1 1 15 15 ILE H H 15 7.947 7.947 7.709 0.238 18210 11721 1 16 . 1 1 16 16 PHE N N 16 116.409 116.409 119.021 -2.612 18210 11722 1 16 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.490 0.028 18210 11723 1 16 . 1 1 16 16 PHE C C 16 176.700 176.700 175.937 0.763 18210 11724 1 16 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.446 1.016 18210 11725 1 16 . 1 1 16 16 PHE CB C 16 42.712 42.712 41.491 1.221 18210 11726 1 16 . 1 1 16 16 PHE H H 16 7.792 7.792 7.503 0.289 18210 11727 1 16 . 1 1 17 17 SER N N 17 114.126 114.126 116.602 -2.476 18210 11728 1 16 . 1 1 17 17 SER HA H 17 3.984 3.984 4.341 -0.357 18210 11729 1 16 . 1 1 17 17 SER C C 17 174.203 174.203 174.514 -0.311 18210 11730 1 16 . 1 1 17 17 SER CA C 17 61.176 61.176 60.846 0.330 18210 11731 1 16 . 1 1 17 17 SER CB C 17 63.438 63.438 63.961 -0.523 18210 11732 1 16 . 1 1 17 17 SER H H 17 8.666 8.666 8.476 0.190 18210 11733 1 16 . 1 1 18 18 LYS N N 18 122.828 122.828 120.667 2.161 18210 11734 1 16 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.396 0.362 18210 11735 1 16 . 1 1 18 18 LYS C C 18 174.029 174.029 174.456 -0.427 18210 11736 1 16 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.385 0.276 18210 11737 1 16 . 1 1 18 18 LYS CB C 18 35.049 35.049 34.801 0.248 18210 11738 1 16 . 1 1 18 18 LYS H H 18 8.031 8.031 7.246 0.785 18210 11739 1 16 . 1 1 19 19 GLY N N 19 112.051 112.051 110.517 1.534 18210 11740 1 16 . 1 1 19 19 GLY C C 19 172.307 172.307 172.345 -0.038 18210 11741 1 16 . 1 1 19 19 GLY CA C 19 44.946 44.946 44.953 -0.007 18210 11742 1 16 . 1 1 19 19 GLY H H 19 8.092 8.092 7.842 0.250 18210 11743 1 16 . 1 1 20 20 TYR N N 20 120.060 120.060 119.723 0.337 18210 11744 1 16 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.654 -0.084 18210 11745 1 16 . 1 1 20 20 TYR C C 20 173.557 173.557 174.046 -0.489 18210 11746 1 16 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.169 0.343 18210 11747 1 16 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.891 0.200 18210 11748 1 16 . 1 1 20 20 TYR H H 20 7.968 7.968 8.730 -0.762 18210 11749 1 16 . 1 1 21 21 SER N N 21 115.201 115.201 114.654 0.547 18210 11750 1 16 . 1 1 21 21 SER HA H 21 4.562 4.562 4.791 -0.229 18210 11751 1 16 . 1 1 21 21 SER C C 21 176.172 176.172 176.078 0.094 18210 11752 1 16 . 1 1 21 21 SER CA C 21 56.537 56.537 55.608 0.929 18210 11753 1 16 . 1 1 21 21 SER CB C 21 65.257 65.257 64.779 0.478 18210 11754 1 16 . 1 1 21 21 SER H H 21 8.761 8.761 8.499 0.262 18210 11755 1 16 . 1 1 22 22 ILE N N 22 122.867 122.867 119.520 3.347 18210 11756 1 16 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.905 0.254 18210 11757 1 16 . 1 1 22 22 ILE C C 22 177.561 177.561 176.664 0.897 18210 11758 1 16 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.148 -0.435 18210 11759 1 16 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.686 0.169 18210 11760 1 16 . 1 1 22 22 ILE H H 22 8.646 8.646 8.658 -0.012 18210 11761 1 16 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.395 0.150 18210 11762 1 16 . 1 1 23 23 ASN C C 23 176.647 176.647 176.509 0.138 18210 11763 1 16 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.787 -0.281 18210 11764 1 16 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.127 0.327 18210 11765 1 16 . 1 1 24 24 GLU N N 24 118.601 118.601 117.147 1.454 18210 11766 1 16 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.144 0.142 18210 11767 1 16 . 1 1 24 24 GLU C C 24 177.998 177.998 177.954 0.044 18210 11768 1 16 . 1 1 24 24 GLU CA C 24 58.306 58.306 58.420 -0.115 18210 11769 1 16 . 1 1 24 24 GLU CB C 24 30.658 30.658 30.126 0.532 18210 11770 1 16 . 1 1 24 24 GLU H H 24 7.837 7.837 7.813 0.024 18210 11771 1 16 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.258 -0.085 18210 11772 1 16 . 1 1 25 25 ILE C C 25 176.641 176.641 175.680 0.961 18210 11773 1 16 . 1 1 25 25 ILE CA C 25 62.612 62.612 61.098 1.514 18210 11774 1 16 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.348 0.012 18210 11775 1 16 . 1 1 26 26 SER N N 26 116.293 116.293 117.579 -1.286 18210 11776 1 16 . 1 1 26 26 SER HA H 26 4.663 4.663 4.255 0.408 18210 11777 1 16 . 1 1 26 26 SER C C 26 174.462 174.462 175.408 -0.946 18210 11778 1 16 . 1 1 26 26 SER CA C 26 58.392 58.392 60.189 -1.797 18210 11779 1 16 . 1 1 26 26 SER CB C 26 64.380 64.380 63.897 0.483 18210 11780 1 16 . 1 1 26 26 SER H H 26 7.813 7.813 8.230 -0.417 18210 11781 1 16 . 1 1 27 27 ASN N N 27 121.919 121.919 117.686 4.233 18210 11782 1 16 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.828 -0.107 18210 11783 1 16 . 1 1 27 27 ASN C C 27 175.869 175.869 176.342 -0.473 18210 11784 1 16 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.061 0.949 18210 11785 1 16 . 1 1 27 27 ASN CB C 27 38.640 38.640 38.976 -0.336 18210 11786 1 16 . 1 1 27 27 ASN H H 27 8.521 8.521 8.739 -0.218 18210 11787 1 16 . 1 1 28 28 LYS N N 28 121.697 121.697 120.989 0.708 18210 11788 1 16 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.255 0.105 18210 11789 1 16 . 1 1 28 28 LYS C C 28 176.952 176.952 176.653 0.299 18210 11790 1 16 . 1 1 28 28 LYS CA C 28 56.967 56.967 58.224 -1.257 18210 11791 1 16 . 1 1 28 28 LYS CB C 28 32.730 32.730 32.956 -0.226 18210 11792 1 16 . 1 1 28 28 LYS H H 28 8.367 8.367 8.060 0.307 18210 11793 1 16 . 1 1 29 29 SER HA H 29 4.498 4.498 4.571 -0.073 18210 11794 1 16 . 1 1 29 29 SER C C 29 174.741 174.741 173.400 1.341 18210 11795 1 16 . 1 1 29 29 SER CA C 29 58.557 58.557 57.773 0.784 18210 11796 1 16 . 1 1 29 29 SER CB C 29 63.945 63.945 62.778 1.167 18210 11797 1 16 . 1 1 30 30 SER N N 30 116.470 116.470 119.304 -2.834 18210 11798 1 16 . 1 1 30 30 SER HA H 30 4.429 4.429 4.561 -0.132 18210 11799 1 16 . 1 1 30 30 SER C C 30 174.467 174.467 175.229 -0.762 18210 11800 1 16 . 1 1 30 30 SER CA C 30 58.616 58.616 58.031 0.586 18210 11801 1 16 . 1 1 30 30 SER CB C 30 63.834 63.834 64.397 -0.563 18210 11802 1 16 . 1 1 30 30 SER H H 30 8.140 8.140 8.072 0.068 18210 11803 1 16 . 1 1 31 31 ASN N N 31 119.457 119.457 121.399 -1.942 18210 11804 1 16 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.534 0.163 18210 11805 1 16 . 1 1 31 31 ASN C C 31 174.930 174.930 175.758 -0.828 18210 11806 1 16 . 1 1 31 31 ASN CA C 31 53.583 53.583 54.827 -1.244 18210 11807 1 16 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.777 -0.044 18210 11808 1 16 . 1 1 31 31 ASN H H 31 8.354 8.354 8.678 -0.324 18210 11809 1 16 . 1 1 32 32 ASN N N 32 118.038 118.038 118.969 -0.931 18210 11810 1 16 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.656 0.042 18210 11811 1 16 . 1 1 32 32 ASN C C 32 174.979 174.979 175.155 -0.176 18210 11812 1 16 . 1 1 32 32 ASN CA C 32 53.580 53.580 53.302 0.278 18210 11813 1 16 . 1 1 32 32 ASN CB C 32 38.810 38.810 38.309 0.501 18210 11814 1 16 . 1 1 32 32 ASN H H 32 8.218 8.218 8.373 -0.155 18210 11815 1 16 . 1 1 33 33 GLN N N 33 119.603 119.603 122.492 -2.889 18210 11816 1 16 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.146 0.207 18210 11817 1 16 . 1 1 33 33 GLN C C 33 175.735 175.735 176.502 -0.767 18210 11818 1 16 . 1 1 33 33 GLN CA C 33 55.883 55.883 56.566 -0.683 18210 11819 1 16 . 1 1 33 33 GLN CB C 33 29.131 29.131 28.877 0.254 18210 11820 1 16 . 1 1 33 33 GLN H H 33 8.337 8.337 8.389 -0.052 18210 11821 1 16 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.050 0.228 18210 11822 1 16 . 1 1 34 34 GLN C C 34 175.170 175.170 174.469 0.701 18210 11823 1 16 . 1 1 34 34 GLN CA C 34 56.102 56.102 56.687 -0.585 18210 11824 1 16 . 1 1 34 34 GLN CB C 34 29.870 29.870 28.295 1.575 18210 11825 1 16 . 1 1 34 34 GLN H H 34 8.087 8.087 8.581 -0.494 18210 11826 1 16 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.024 -0.304 18210 11827 1 16 . 1 1 35 35 ASP C C 35 175.810 175.810 174.847 0.963 18210 11828 1 16 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.038 1.254 18210 11829 1 16 . 1 1 35 35 ASP CB C 35 41.462 41.462 41.943 -0.481 18210 11830 1 16 . 1 1 35 35 ASP H H 35 8.033 8.033 7.186 0.847 18210 11831 1 16 . 1 1 36 36 ILE N N 36 122.378 122.378 125.852 -3.474 18210 11832 1 16 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.306 -0.242 18210 11833 1 16 . 1 1 36 36 ILE C C 36 173.823 173.823 174.187 -0.364 18210 11834 1 16 . 1 1 36 36 ILE CA C 36 60.506 60.506 58.986 1.520 18210 11835 1 16 . 1 1 36 36 ILE CB C 36 37.712 37.712 38.563 -0.851 18210 11836 1 16 . 1 1 36 36 ILE H H 36 8.421 8.421 8.300 0.121 18210 11837 1 16 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.853 -0.346 18210 11838 1 16 . 1 1 37 37 VAL C C 37 174.956 174.956 175.714 -0.758 18210 11839 1 16 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.861 0.674 18210 11840 1 16 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.375 -1.443 18210 11841 1 16 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.718 0.063 18210 11842 1 16 . 1 1 38 38 CYS C C 38 172.106 172.106 174.208 -2.102 18210 11843 1 16 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.376 -3.158 18210 11844 1 16 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.419 23.538 18210 11845 1 16 . 1 1 39 39 THR N N 39 123.385 123.385 122.923 0.462 18210 11846 1 16 . 1 1 39 39 THR HA H 39 4.998 4.998 4.907 0.091 18210 11847 1 16 . 1 1 39 39 THR C C 39 174.687 174.687 174.012 0.675 18210 11848 1 16 . 1 1 39 39 THR CA C 39 61.514 61.514 62.788 -1.274 18210 11849 1 16 . 1 1 39 39 THR CB C 39 69.880 69.880 69.444 0.436 18210 11850 1 16 . 1 1 39 39 THR H H 39 8.229 8.229 8.548 -0.319 18210 11851 1 16 . 1 1 40 40 VAL N N 40 125.782 125.782 122.916 2.866 18210 11852 1 16 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.620 -0.340 18210 11853 1 16 . 1 1 40 40 VAL C C 40 173.622 173.622 173.920 -0.298 18210 11854 1 16 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.488 0.919 18210 11855 1 16 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.634 -0.834 18210 11856 1 16 . 1 1 40 40 VAL H H 40 8.892 8.892 8.096 0.796 18210 11857 1 16 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.501 0.404 18210 11858 1 16 . 1 1 41 41 LYS C C 41 175.624 175.624 176.011 -0.387 18210 11859 1 16 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.290 -1.043 18210 11860 1 16 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.265 -1.363 18210 11861 1 16 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.622 -0.315 18210 11862 1 16 . 1 1 42 42 ALA C C 42 175.028 175.028 175.205 -0.177 18210 11863 1 16 . 1 1 42 42 ALA CA C 42 51.544 51.544 50.867 0.677 18210 11864 1 16 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.769 0.464 18210 11865 1 16 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.802 -0.023 18210 11866 1 16 . 1 1 43 43 HIS C C 43 172.767 172.767 174.687 -1.920 18210 11867 1 16 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.488 -1.887 18210 11868 1 16 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.876 -2.577 18210 11869 1 16 . 1 1 43 43 HIS H H 43 8.722 8.722 8.674 0.048 18210 11870 1 16 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.156 -0.116 18210 11871 1 16 . 1 1 44 44 ALA C C 44 178.087 178.087 178.151 -0.064 18210 11872 1 16 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.306 -0.444 18210 11873 1 16 . 1 1 44 44 ALA CB C 44 19.024 19.024 19.083 -0.059 18210 11874 1 16 . 1 1 44 44 ALA H H 44 8.468 8.468 8.162 0.306 18210 11875 1 16 . 1 1 45 45 ASN N N 45 113.483 113.483 114.083 -0.600 18210 11876 1 16 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.893 -0.551 18210 11877 1 16 . 1 1 45 45 ASN C C 45 174.441 174.441 175.216 -0.775 18210 11878 1 16 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.588 1.740 18210 11879 1 16 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.767 -1.088 18210 11880 1 16 . 1 1 45 45 ASN H H 45 7.356 7.356 8.204 -0.848 18210 11881 1 16 . 1 1 46 46 ASP N N 46 120.941 120.941 120.932 0.009 18210 11882 1 16 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.777 -0.186 18210 11883 1 16 . 1 1 46 46 ASP C C 46 175.724 175.724 175.817 -0.093 18210 11884 1 16 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.513 1.656 18210 11885 1 16 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.492 0.028 18210 11886 1 16 . 1 1 46 46 ASP H H 46 7.959 7.959 8.075 -0.116 18210 11887 1 16 . 1 1 47 47 LEU N N 47 123.735 123.735 121.529 2.206 18210 11888 1 16 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.408 0.568 18210 11889 1 16 . 1 1 47 47 LEU C C 47 175.735 175.735 176.886 -1.151 18210 11890 1 16 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.927 -0.236 18210 11891 1 16 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.587 0.979 18210 11892 1 16 . 1 1 47 47 LEU H H 47 8.156 8.156 8.518 -0.362 18210 11893 1 16 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.642 0.629 18210 11894 1 16 . 1 1 48 48 ILE C C 48 175.979 175.979 175.391 0.588 18210 11895 1 16 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.973 -0.020 18210 11896 1 16 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.242 2.897 18210 11897 1 16 . 1 1 49 49 GLY N N 49 102.726 102.726 111.224 -8.498 18210 11898 1 16 . 1 1 49 49 GLY C C 49 169.506 169.506 171.800 -2.294 18210 11899 1 16 . 1 1 49 49 GLY CA C 49 48.190 48.190 45.954 2.236 18210 11900 1 16 . 1 1 49 49 GLY H H 49 7.900 7.900 8.507 -0.607 18210 11901 1 16 . 1 1 50 50 PHE N N 50 111.884 111.884 113.677 -1.793 18210 11902 1 16 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.770 0.143 18210 11903 1 16 . 1 1 50 50 PHE C C 50 171.823 171.823 171.926 -0.103 18210 11904 1 16 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.573 -0.846 18210 11905 1 16 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.611 0.418 18210 11906 1 16 . 1 1 50 50 PHE H H 50 8.248 8.248 7.850 0.398 18210 11907 1 16 . 1 1 51 51 LYS N N 51 117.924 117.924 119.172 -1.248 18210 11908 1 16 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.228 0.156 18210 11909 1 16 . 1 1 51 51 LYS C C 51 176.140 176.140 174.496 1.644 18210 11910 1 16 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.991 -0.570 18210 11911 1 16 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.270 0.650 18210 11912 1 16 . 1 1 51 51 LYS H H 51 7.857 7.857 7.902 -0.045 18210 11913 1 16 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.096 -0.075 18210 11914 1 16 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.731 -4.540 18210 11915 1 16 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.172 11.015 18210 11916 1 16 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.414 -0.037 18210 11917 1 16 . 1 1 53 53 PRO C C 53 177.624 177.624 177.152 0.472 18210 11918 1 16 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.007 -0.437 18210 11919 1 16 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.529 -1.273 18210 11920 1 16 . 1 1 54 54 SER HA H 54 4.106 4.106 4.223 -0.117 18210 11921 1 16 . 1 1 54 54 SER C C 54 174.271 174.271 174.961 -0.690 18210 11922 1 16 . 1 1 54 54 SER CA C 54 61.221 61.221 59.874 1.347 18210 11923 1 16 . 1 1 54 54 SER CB C 54 63.243 63.243 63.205 0.038 18210 11924 1 16 . 1 1 55 55 ASN N N 55 115.116 115.116 116.739 -1.623 18210 11925 1 16 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.799 -0.126 18210 11926 1 16 . 1 1 55 55 ASN C C 55 174.556 174.556 174.411 0.145 18210 11927 1 16 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.679 0.185 18210 11928 1 16 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.764 -1.840 18210 11929 1 16 . 1 1 55 55 ASN H H 55 8.712 8.712 8.336 0.376 18210 11930 1 16 . 1 1 56 56 TYR N N 56 120.489 120.489 118.979 1.510 18210 11931 1 16 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.690 0.002 18210 11932 1 16 . 1 1 56 56 TYR C C 56 176.019 176.019 175.197 0.822 18210 11933 1 16 . 1 1 56 56 TYR CA C 56 57.469 57.469 57.654 -0.185 18210 11934 1 16 . 1 1 56 56 TYR CB C 56 38.698 38.698 40.877 -2.179 18210 11935 1 16 . 1 1 56 56 TYR H H 56 7.637 7.637 7.742 -0.105 18210 11936 1 16 . 1 1 57 57 SER N N 57 117.381 117.381 115.842 1.539 18210 11937 1 16 . 1 1 57 57 SER HA H 57 4.915 4.915 4.853 0.062 18210 11938 1 16 . 1 1 57 57 SER C C 57 173.649 173.649 173.422 0.227 18210 11939 1 16 . 1 1 57 57 SER CA C 57 57.586 57.586 57.619 -0.033 18210 11940 1 16 . 1 1 57 57 SER CB C 57 64.766 64.766 65.196 -0.430 18210 11941 1 16 . 1 1 57 57 SER H H 57 9.323 9.323 8.373 0.950 18210 11942 1 16 . 1 1 58 58 VAL N N 58 125.696 125.696 122.179 3.517 18210 11943 1 16 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.450 0.362 18210 11944 1 16 . 1 1 58 58 VAL C C 58 174.911 174.911 175.161 -0.250 18210 11945 1 16 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.533 0.356 18210 11946 1 16 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.556 0.629 18210 11947 1 16 . 1 1 58 58 VAL H H 58 8.474 8.474 8.864 -0.390 18210 11948 1 16 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.934 -0.274 18210 11949 1 16 . 1 1 59 59 GLU CA C 59 52.599 52.599 53.026 -0.427 18210 11950 1 16 . 1 1 59 59 GLU CB C 59 32.910 32.910 32.726 0.184 18210 11951 1 16 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.606 0.094 18210 11952 1 16 . 1 1 60 60 PRO C C 60 176.708 176.708 176.423 0.285 18210 11953 1 16 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.030 -0.299 18210 11954 1 16 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.476 1.530 18210 11955 1 16 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.603 -0.240 18210 11956 1 16 . 1 1 61 61 HIS C C 61 174.320 174.320 174.688 -0.368 18210 11957 1 16 . 1 1 61 61 HIS CA C 61 58.473 58.473 58.087 0.387 18210 11958 1 16 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.041 -2.526 18210 11959 1 16 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.709 0.334 18210 11960 1 16 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.248 -1.910 18210 11961 1 16 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.476 -0.966 18210 11962 1 16 . 1 1 63 63 CYS N N 63 120.346 120.346 117.992 2.354 18210 11963 1 16 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.638 -0.415 18210 11964 1 16 . 1 1 63 63 CYS C C 63 171.976 171.976 175.487 -3.511 18210 11965 1 16 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.329 -0.825 18210 11966 1 16 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.798 13.283 18210 11967 1 16 . 1 1 63 63 CYS H H 63 6.446 6.446 8.220 -1.774 18210 11968 1 16 . 1 1 64 64 PHE N N 64 116.155 116.155 117.752 -1.597 18210 11969 1 16 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.490 -0.270 18210 11970 1 16 . 1 1 64 64 PHE C C 64 177.110 177.110 176.795 0.315 18210 11971 1 16 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.522 0.069 18210 11972 1 16 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.896 3.253 18210 11973 1 16 . 1 1 64 64 PHE H H 64 7.697 7.697 7.462 0.235 18210 11974 1 16 . 1 1 65 65 VAL N N 65 119.794 119.794 119.887 -0.093 18210 11975 1 16 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.713 0.252 18210 11976 1 16 . 1 1 65 65 VAL C C 65 176.948 176.948 175.853 1.095 18210 11977 1 16 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.959 1.004 18210 11978 1 16 . 1 1 65 65 VAL CB C 65 31.084 31.084 32.215 -1.131 18210 11979 1 16 . 1 1 65 65 VAL H H 65 8.449 8.449 7.364 1.085 18210 11980 1 16 . 1 1 66 66 SER N N 66 113.648 113.648 111.897 1.751 18210 11981 1 16 . 1 1 66 66 SER HA H 66 5.041 5.041 4.649 0.392 18210 11982 1 16 . 1 1 66 66 SER C C 66 173.905 173.905 172.564 1.341 18210 11983 1 16 . 1 1 66 66 SER CA C 66 56.701 56.701 56.556 0.145 18210 11984 1 16 . 1 1 66 66 SER CB C 66 65.738 65.738 63.914 1.824 18210 11985 1 16 . 1 1 66 66 SER H H 66 7.706 7.706 7.678 0.028 18210 11986 1 16 . 1 1 67 67 ALA N N 67 115.370 115.370 127.500 -12.130 18210 11987 1 16 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.285 -0.241 18210 11988 1 16 . 1 1 67 67 ALA C C 67 175.316 175.316 174.617 0.699 18210 11989 1 16 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.650 0.472 18210 11990 1 16 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.818 3.009 18210 11991 1 16 . 1 1 67 67 ALA H H 67 9.280 9.280 7.596 1.684 18210 11992 1 16 . 1 1 68 68 PHE N N 68 116.820 116.820 117.370 -0.550 18210 11993 1 16 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.229 -0.230 18210 11994 1 16 . 1 1 68 68 PHE C C 68 176.533 176.533 176.522 0.011 18210 11995 1 16 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.919 0.619 18210 11996 1 16 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.651 -0.687 18210 11997 1 16 . 1 1 68 68 PHE H H 68 8.520 8.520 8.514 0.006 18210 11998 1 16 . 1 1 69 69 ASN N N 69 118.203 118.203 120.901 -2.698 18210 11999 1 16 . 1 1 69 69 ASN HA H 69 5.042 5.042 5.150 -0.108 18210 12000 1 16 . 1 1 69 69 ASN C C 69 176.820 176.820 177.452 -0.632 18210 12001 1 16 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.240 -1.204 18210 12002 1 16 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.435 0.059 18210 12003 1 16 . 1 1 69 69 ASN H H 69 8.498 8.498 8.804 -0.306 18210 12004 1 16 . 1 1 70 70 LEU N N 70 118.189 118.189 120.251 -2.062 18210 12005 1 16 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.388 -0.109 18210 12006 1 16 . 1 1 70 70 LEU C C 70 178.484 178.484 177.625 0.859 18210 12007 1 16 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.886 -0.122 18210 12008 1 16 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.790 -0.152 18210 12009 1 16 . 1 1 70 70 LEU H H 70 8.514 8.514 8.936 -0.422 18210 12010 1 16 . 1 1 71 71 SER N N 71 113.939 113.939 111.585 2.354 18210 12011 1 16 . 1 1 71 71 SER HA H 71 4.572 4.572 4.466 0.106 18210 12012 1 16 . 1 1 71 71 SER C C 71 174.682 174.682 175.524 -0.842 18210 12013 1 16 . 1 1 71 71 SER CA C 71 58.758 58.758 58.353 0.405 18210 12014 1 16 . 1 1 71 71 SER CB C 71 63.762 63.762 63.274 0.488 18210 12015 1 16 . 1 1 71 71 SER H H 71 8.049 8.049 7.871 0.178 18210 12016 1 16 . 1 1 72 72 GLY N N 72 109.936 109.936 109.920 0.016 18210 12017 1 16 . 1 1 72 72 GLY C C 72 173.549 173.549 174.060 -0.511 18210 12018 1 16 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.397 0.242 18210 12019 1 16 . 1 1 72 72 GLY H H 72 8.641 8.641 8.142 0.499 18210 12020 1 16 . 1 1 73 73 LYS N N 73 119.884 119.884 120.589 -0.705 18210 12021 1 16 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.516 0.037 18210 12022 1 16 . 1 1 73 73 LYS C C 73 175.750 175.750 175.387 0.363 18210 12023 1 16 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.800 -0.142 18210 12024 1 16 . 1 1 73 73 LYS CB C 73 33.741 33.741 34.093 -0.352 18210 12025 1 16 . 1 1 73 73 LYS H H 73 7.738 7.738 7.568 0.170 18210 12026 1 16 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.851 -0.331 18210 12027 1 16 . 1 1 74 74 ASN C C 74 174.680 174.680 174.678 0.002 18210 12028 1 16 . 1 1 74 74 ASN CA C 74 54.232 54.232 52.975 1.256 18210 12029 1 16 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.556 0.771 18210 12030 1 16 . 1 1 75 75 GLU N N 75 124.834 124.834 127.049 -2.215 18210 12031 1 16 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.450 0.148 18210 12032 1 16 . 1 1 75 75 GLU C C 75 174.547 174.547 174.666 -0.119 18210 12033 1 16 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.151 -0.264 18210 12034 1 16 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.108 -0.200 18210 12035 1 16 . 1 1 75 75 GLU H H 75 8.835 8.835 8.151 0.684 18210 12036 1 16 . 1 1 76 76 ASN N N 76 121.549 121.549 122.238 -0.689 18210 12037 1 16 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.906 -0.231 18210 12038 1 16 . 1 1 76 76 ASN C C 76 175.670 175.670 176.114 -0.444 18210 12039 1 16 . 1 1 76 76 ASN CA C 76 54.120 54.120 54.000 0.120 18210 12040 1 16 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.708 0.334 18210 12041 1 16 . 1 1 76 76 ASN H H 76 8.580 8.580 8.675 -0.095 18210 12042 1 16 . 1 1 77 77 LEU N N 77 125.808 125.808 122.805 3.003 18210 12043 1 16 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.577 -0.470 18210 12044 1 16 . 1 1 77 77 LEU C C 77 178.104 178.104 177.277 0.827 18210 12045 1 16 . 1 1 77 77 LEU CA C 77 55.991 55.991 53.761 2.230 18210 12046 1 16 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.312 0.072 18210 12047 1 16 . 1 1 77 77 LEU H H 77 8.610 8.610 8.502 0.108 18210 12048 1 16 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.195 -0.179 18210 12049 1 16 . 1 1 78 78 GLU C C 78 176.833 176.833 176.944 -0.111 18210 12050 1 16 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.657 0.993 18210 12051 1 16 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.771 0.913 18210 12052 1 16 . 1 1 79 79 ASN N N 79 114.719 114.719 117.007 -2.288 18210 12053 1 16 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.428 0.136 18210 12054 1 16 . 1 1 79 79 ASN C C 79 175.510 175.510 176.209 -0.699 18210 12055 1 16 . 1 1 79 79 ASN CA C 79 54.392 54.392 54.587 -0.195 18210 12056 1 16 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.696 1.022 18210 12057 1 16 . 1 1 79 79 ASN H H 79 8.257 8.257 8.416 -0.159 18210 12058 1 16 . 1 1 80 80 LYS N N 80 118.906 118.906 120.484 -1.578 18210 12059 1 16 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.152 0.141 18210 12060 1 16 . 1 1 80 80 LYS C C 80 175.748 175.748 176.775 -1.027 18210 12061 1 16 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.301 0.464 18210 12062 1 16 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.045 1.300 18210 12063 1 16 . 1 1 80 80 LYS H H 80 7.818 7.818 7.796 0.022 18210 12064 1 16 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.346 -0.196 18210 12065 1 16 . 1 1 81 81 LEU C C 81 174.688 174.688 174.657 0.031 18210 12066 1 16 . 1 1 81 81 LEU CA C 81 54.522 54.522 54.561 -0.039 18210 12067 1 16 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.222 -1.159 18210 12068 1 16 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.347 -0.178 18210 12069 1 16 . 1 1 82 82 LYS C C 82 175.701 175.701 176.002 -0.301 18210 12070 1 16 . 1 1 82 82 LYS CA C 82 56.168 56.168 56.171 -0.003 18210 12071 1 16 . 1 1 82 82 LYS CB C 82 30.017 30.017 31.593 -1.576 18210 12072 1 16 . 1 1 83 83 LEU N N 83 120.762 120.762 124.683 -3.921 18210 12073 1 16 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.276 0.144 18210 12074 1 16 . 1 1 83 83 LEU C C 83 177.184 177.184 177.702 -0.518 18210 12075 1 16 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.642 0.577 18210 12076 1 16 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.911 -0.600 18210 12077 1 16 . 1 1 83 83 LEU H H 83 7.485 7.485 7.916 -0.431 18210 12078 1 16 . 1 1 84 84 THR N N 84 110.955 110.955 112.043 -1.088 18210 12079 1 16 . 1 1 84 84 THR HA H 84 4.712 4.712 4.549 0.163 18210 12080 1 16 . 1 1 84 84 THR C C 84 173.001 173.001 173.956 -0.955 18210 12081 1 16 . 1 1 84 84 THR CA C 84 59.883 59.883 60.723 -0.840 18210 12082 1 16 . 1 1 84 84 THR CB C 84 71.825 71.825 71.805 0.021 18210 12083 1 16 . 1 1 84 84 THR H H 84 8.519 8.519 8.149 0.370 18210 12084 1 16 . 1 1 85 85 ASN N N 85 117.589 117.589 117.899 -0.310 18210 12085 1 16 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.398 -0.252 18210 12086 1 16 . 1 1 85 85 ASN C C 85 173.572 173.572 174.020 -0.448 18210 12087 1 16 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.871 0.448 18210 12088 1 16 . 1 1 85 85 ASN CB C 85 38.908 38.908 36.947 1.961 18210 12089 1 16 . 1 1 85 85 ASN H H 85 8.850 8.850 8.820 0.030 18210 12090 1 16 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.458 -0.166 18210 12091 1 16 . 1 1 86 86 ILE C C 86 177.346 177.346 176.105 1.241 18210 12092 1 16 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.516 1.291 18210 12093 1 16 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.900 -0.201 18210 12094 1 16 . 1 1 87 87 ILE N N 87 131.807 131.807 128.805 3.002 18210 12095 1 16 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.501 -0.246 18210 12096 1 16 . 1 1 87 87 ILE C C 87 174.493 174.493 174.377 0.116 18210 12097 1 16 . 1 1 87 87 ILE CA C 87 60.152 60.152 59.987 0.165 18210 12098 1 16 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.229 1.881 18210 12099 1 16 . 1 1 87 87 ILE H H 87 9.166 9.166 8.884 0.282 18210 12100 1 16 . 1 1 88 88 MET HA H 88 4.017 4.017 4.403 -0.386 18210 12101 1 16 . 1 1 88 88 MET C C 88 173.613 173.613 174.377 -0.764 18210 12102 1 16 . 1 1 88 88 MET CA C 88 53.287 53.287 54.744 -1.457 18210 12103 1 16 . 1 1 88 88 MET CB C 88 33.478 33.478 34.402 -0.924 18210 12104 1 16 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.848 -0.151 18210 12105 1 16 . 1 1 89 89 ASP C C 89 176.750 176.750 175.940 0.810 18210 12106 1 16 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.803 -0.702 18210 12107 1 16 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.294 -1.103 18210 12108 1 16 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.359 0.082 18210 12109 1 16 . 1 1 90 90 HIS C C 90 175.625 175.625 175.908 -0.283 18210 12110 1 16 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.779 -0.525 18210 12111 1 16 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.234 -1.655 18210 12112 1 16 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.242 0.198 18210 12113 1 16 . 1 1 91 91 TYR C C 91 177.915 177.915 176.284 1.631 18210 12114 1 16 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.311 -0.551 18210 12115 1 16 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.695 -0.628 18210 12116 1 16 . 1 1 92 92 ASN N N 92 113.661 113.661 114.186 -0.525 18210 12117 1 16 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.430 0.343 18210 12118 1 16 . 1 1 92 92 ASN C C 92 174.762 174.762 174.611 0.151 18210 12119 1 16 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.842 -0.227 18210 12120 1 16 . 1 1 92 92 ASN CB C 92 39.282 39.282 37.972 1.310 18210 12121 1 16 . 1 1 92 92 ASN H H 92 7.713 7.713 8.423 -0.710 18210 12122 1 16 . 1 1 93 93 ASN N N 93 125.176 125.176 114.131 11.045 18210 12123 1 16 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.359 0.350 18210 12124 1 16 . 1 1 93 93 ASN C C 93 172.729 172.729 173.175 -0.446 18210 12125 1 16 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.458 -1.722 18210 12126 1 16 . 1 1 93 93 ASN CB C 93 37.961 37.961 37.129 0.832 18210 12127 1 16 . 1 1 93 93 ASN H H 93 7.804 7.804 7.868 -0.064 18210 12128 1 16 . 1 1 94 94 THR N N 94 109.900 109.900 112.460 -2.560 18210 12129 1 16 . 1 1 94 94 THR HA H 94 4.852 4.852 4.958 -0.106 18210 12130 1 16 . 1 1 94 94 THR C C 94 170.824 170.824 171.913 -1.089 18210 12131 1 16 . 1 1 94 94 THR CA C 94 61.817 61.817 60.444 1.373 18210 12132 1 16 . 1 1 94 94 THR CB C 94 71.074 71.074 71.319 -0.245 18210 12133 1 16 . 1 1 94 94 THR H H 94 7.654 7.654 7.409 0.245 18210 12134 1 16 . 1 1 95 95 PHE N N 95 126.721 126.721 125.202 1.519 18210 12135 1 16 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.360 -0.252 18210 12136 1 16 . 1 1 95 95 PHE C C 95 174.143 174.143 174.193 -0.050 18210 12137 1 16 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.590 -0.021 18210 12138 1 16 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.803 -0.011 18210 12139 1 16 . 1 1 95 95 PHE H H 95 8.166 8.166 7.655 0.511 18210 12140 1 16 . 1 1 96 96 TYR N N 96 115.709 115.709 120.337 -4.628 18210 12141 1 16 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.585 0.482 18210 12142 1 16 . 1 1 96 96 TYR C C 96 175.734 175.734 174.808 0.926 18210 12143 1 16 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.506 -0.074 18210 12144 1 16 . 1 1 96 96 TYR CB C 96 44.167 44.167 43.000 1.167 18210 12145 1 16 . 1 1 96 96 TYR H H 96 9.149 9.149 8.580 0.569 18210 12146 1 16 . 1 1 97 97 SER N N 97 109.503 109.503 114.148 -4.645 18210 12147 1 16 . 1 1 97 97 SER HA H 97 4.430 4.430 5.209 -0.779 18210 12148 1 16 . 1 1 97 97 SER C C 97 170.684 170.684 173.506 -2.822 18210 12149 1 16 . 1 1 97 97 SER CA C 97 59.324 59.324 56.998 2.326 18210 12150 1 16 . 1 1 97 97 SER CB C 97 66.341 66.341 66.013 0.328 18210 12151 1 16 . 1 1 97 97 SER H H 97 8.921 8.921 9.380 -0.459 18210 12152 1 16 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.831 0.563 18210 12153 1 16 . 1 1 98 98 ARG C C 98 175.850 175.850 175.983 -0.133 18210 12154 1 16 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.325 -0.149 18210 12155 1 16 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.129 0.998 18210 12156 1 16 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.651 -0.321 18210 12157 1 16 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.470 1.336 18210 12158 1 16 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.156 -1.253 18210 12159 1 16 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.414 0.262 18210 12160 1 16 . 1 1 100 100 PRO C C 100 175.744 175.744 176.973 -1.229 18210 12161 1 16 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.178 -0.888 18210 12162 1 16 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.772 0.014 18210 12163 1 16 . 1 1 101 101 SER HA H 101 4.126 4.126 4.209 -0.083 18210 12164 1 16 . 1 1 101 101 SER C C 101 173.214 173.214 174.678 -1.464 18210 12165 1 16 . 1 1 101 101 SER CA C 101 60.265 60.265 60.788 -0.523 18210 12166 1 16 . 1 1 101 101 SER CB C 101 63.660 63.660 63.362 0.298 18210 12167 1 16 . 1 1 102 102 LEU N N 102 121.389 121.389 121.484 -0.095 18210 12168 1 16 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.495 0.037 18210 12169 1 16 . 1 1 102 102 LEU C C 102 175.187 175.187 175.448 -0.261 18210 12170 1 16 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.644 0.042 18210 12171 1 16 . 1 1 102 102 LEU CB C 102 44.380 44.380 43.016 1.364 18210 12172 1 16 . 1 1 102 102 LEU H H 102 7.179 7.179 7.624 -0.445 18210 12173 1 16 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.449 -0.006 18210 12174 1 16 . 1 1 103 103 ILE C C 103 175.490 175.490 175.714 -0.224 18210 12175 1 16 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.472 -1.563 18210 12176 1 16 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.347 0.331 18210 12177 1 16 . 1 1 104 104 SER N N 104 120.807 120.807 120.357 0.450 18210 12178 1 16 . 1 1 104 104 SER HA H 104 4.581 4.581 4.581 0.000 18210 12179 1 16 . 1 1 104 104 SER C C 104 173.234 173.234 174.097 -0.863 18210 12180 1 16 . 1 1 104 104 SER CA C 104 58.166 58.166 57.725 0.441 18210 12181 1 16 . 1 1 104 104 SER CB C 104 64.341 64.341 63.653 0.688 18210 12182 1 16 . 1 1 104 104 SER H H 104 8.471 8.471 8.342 0.129 18210 12183 1 16 . 1 1 105 105 ASP N N 105 119.103 119.103 123.290 -4.187 18210 12184 1 16 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.785 -0.136 18210 12185 1 16 . 1 1 105 105 ASP C C 105 174.991 174.991 175.931 -0.940 18210 12186 1 16 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.428 -0.694 18210 12187 1 16 . 1 1 105 105 ASP CB C 105 42.477 42.477 41.819 0.658 18210 12188 1 16 . 1 1 105 105 ASP H H 105 8.060 8.060 8.026 0.034 18210 12189 1 16 . 1 1 106 106 ASN N N 106 116.036 116.036 118.650 -2.614 18210 12190 1 16 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.866 -0.131 18210 12191 1 16 . 1 1 106 106 ASN C C 106 174.308 174.308 175.443 -1.135 18210 12192 1 16 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.803 0.977 18210 12193 1 16 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.521 0.501 18210 12194 1 16 . 1 1 106 106 ASN H H 106 8.389 8.389 8.426 -0.037 18210 12195 1 16 . 1 1 107 107 TRP N N 107 119.645 119.645 121.647 -2.002 18210 12196 1 16 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.816 0.013 18210 12197 1 16 . 1 1 107 107 TRP C C 107 174.949 174.949 175.790 -0.841 18210 12198 1 16 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.761 -0.570 18210 12199 1 16 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.606 2.607 18210 12200 1 16 . 1 1 107 107 TRP H H 107 7.846 7.846 8.292 -0.446 18210 12201 1 16 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.675 0.787 18210 12202 1 16 . 1 1 108 108 LYS C C 108 174.986 174.986 174.802 0.184 18210 12203 1 16 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.363 0.833 18210 12204 1 16 . 1 1 108 108 LYS CB C 108 36.215 36.215 35.986 0.230 18210 12205 1 16 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.177 0.368 18210 12206 1 16 . 1 1 109 109 PHE C C 109 172.950 172.950 172.587 0.363 18210 12207 1 16 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.721 -0.301 18210 12208 1 16 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.105 -0.214 18210 12209 1 16 . 1 1 110 110 PHE N N 110 115.390 115.390 114.823 0.567 18210 12210 1 16 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.173 0.859 18210 12211 1 16 . 1 1 110 110 PHE C C 110 173.892 173.892 173.634 0.258 18210 12212 1 16 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.360 0.872 18210 12213 1 16 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.889 2.477 18210 12214 1 16 . 1 1 110 110 PHE H H 110 9.267 9.267 7.683 1.584 18210 12215 1 16 . 1 1 111 111 CYS N N 111 116.463 116.463 117.868 -1.405 18210 12216 1 16 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.923 0.138 18210 12217 1 16 . 1 1 111 111 CYS C C 111 171.900 171.900 173.132 -1.232 18210 12218 1 16 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.584 -3.732 18210 12219 1 16 . 1 1 111 111 CYS CB C 111 47.830 47.830 30.910 16.920 18210 12220 1 16 . 1 1 111 111 CYS H H 111 9.274 9.274 8.884 0.390 18210 12221 1 16 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.107 0.095 18210 12222 1 16 . 1 1 112 112 VAL C C 112 175.041 175.041 174.387 0.654 18210 12223 1 16 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.350 0.093 18210 12224 1 16 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.456 0.121 18210 12225 1 16 . 1 1 112 112 VAL H H 112 9.605 9.605 8.493 1.112 18210 12226 1 16 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.642 0.118 18210 12227 1 16 . 1 1 113 113 CYS C C 113 173.601 173.601 173.889 -0.288 18210 12228 1 16 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.407 -4.586 18210 12229 1 16 . 1 1 113 113 CYS CB C 113 43.946 43.946 28.696 15.250 18210 12230 1 16 . 1 1 114 114 SER N N 114 117.968 117.968 118.248 -0.280 18210 12231 1 16 . 1 1 114 114 SER HA H 114 5.093 5.093 5.089 0.004 18210 12232 1 16 . 1 1 114 114 SER C C 114 172.267 172.267 172.879 -0.612 18210 12233 1 16 . 1 1 114 114 SER CA C 114 56.677 56.677 57.551 -0.874 18210 12234 1 16 . 1 1 114 114 SER CB C 114 66.795 66.795 65.944 0.851 18210 12235 1 16 . 1 1 114 114 SER H H 114 9.250 9.250 9.248 0.002 18210 12236 1 16 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.581 -0.475 18210 12237 1 16 . 1 1 115 115 LYS C C 115 174.527 174.527 174.575 -0.048 18210 12238 1 16 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.311 0.611 18210 12239 1 16 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.556 -2.547 18210 12240 1 16 . 1 1 115 115 LYS H H 115 8.705 8.705 8.535 0.170 18210 12241 1 16 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.435 -0.244 18210 12242 1 16 . 1 1 116 116 ASP C C 116 176.002 176.002 176.522 -0.520 18210 12243 1 16 . 1 1 116 116 ASP CA C 116 56.314 56.314 54.591 1.723 18210 12244 1 16 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.836 -0.389 18210 12245 1 16 . 1 1 117 117 ASN N N 117 116.913 116.913 118.063 -1.150 18210 12246 1 16 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.268 0.171 18210 12247 1 16 . 1 1 117 117 ASN C C 117 174.246 174.246 173.800 0.446 18210 12248 1 16 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.165 0.268 18210 12249 1 16 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.166 0.016 18210 12250 1 16 . 1 1 117 117 ASN H H 117 8.752 8.752 8.690 0.062 18210 12251 1 16 . 1 1 118 118 GLU N N 118 116.615 116.615 118.061 -1.446 18210 12252 1 16 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.492 0.268 18210 12253 1 16 . 1 1 118 118 GLU C C 118 177.397 177.397 175.637 1.760 18210 12254 1 16 . 1 1 118 118 GLU CA C 118 54.309 54.309 54.767 -0.458 18210 12255 1 16 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.068 -1.977 18210 12256 1 16 . 1 1 118 118 GLU H H 118 7.819 7.819 8.163 -0.344 18210 12257 1 16 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.125 0.040 18210 12258 1 16 . 1 1 119 119 LYS C C 119 177.626 177.626 176.574 1.052 18210 12259 1 16 . 1 1 119 119 LYS CA C 119 57.540 57.540 57.315 0.225 18210 12260 1 16 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.666 0.179 18210 12261 1 16 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.529 -0.224 18210 12262 1 16 . 1 1 120 120 LYS C C 120 174.312 174.312 175.526 -1.214 18210 12263 1 16 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.726 1.380 18210 12264 1 16 . 1 1 120 120 LYS CB C 120 33.188 33.188 34.002 -0.814 18210 12265 1 16 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.457 0.102 18210 12266 1 16 . 1 1 121 121 LEU C C 121 174.893 174.893 175.186 -0.293 18210 12267 1 16 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.501 -0.897 18210 12268 1 16 . 1 1 121 121 LEU CB C 121 39.606 39.606 43.010 -3.404 18210 12269 1 16 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.616 -0.255 18210 12270 1 16 . 1 1 122 122 VAL C C 122 173.909 173.909 174.309 -0.400 18210 12271 1 16 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.172 0.856 18210 12272 1 16 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.957 -0.363 18210 12273 1 16 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.840 0.335 18210 12274 1 16 . 1 1 123 123 PHE C C 123 173.230 173.230 172.968 0.262 18210 12275 1 16 . 1 1 123 123 PHE CA C 123 56.314 56.314 56.051 0.263 18210 12276 1 16 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.311 -0.479 18210 12277 1 16 . 1 1 124 124 THR N N 124 121.688 121.688 123.546 -1.858 18210 12278 1 16 . 1 1 124 124 THR HA H 124 4.885 4.885 4.679 0.205 18210 12279 1 16 . 1 1 124 124 THR C C 124 170.874 170.874 172.206 -1.332 18210 12280 1 16 . 1 1 124 124 THR CA C 124 60.087 60.087 59.803 0.284 18210 12281 1 16 . 1 1 124 124 THR CB C 124 70.942 70.942 71.309 -0.367 18210 12282 1 16 . 1 1 124 124 THR H H 124 8.493 8.493 8.166 0.327 18210 12283 1 16 . 1 1 125 125 VAL N N 125 125.781 125.781 121.485 4.296 18210 12284 1 16 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.044 -0.528 18210 12285 1 16 . 1 1 125 125 VAL C C 125 173.796 173.796 173.218 0.578 18210 12286 1 16 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.549 1.243 18210 12287 1 16 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.188 -1.954 18210 12288 1 16 . 1 1 125 125 VAL H H 125 8.275 8.275 7.865 0.410 18210 12289 1 16 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.682 0.207 18210 12290 1 16 . 1 1 126 126 GLU C C 126 173.519 173.519 174.796 -1.277 18210 12291 1 16 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.899 -0.933 18210 12292 1 16 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.720 -0.758 18210 12293 1 16 . 1 1 126 126 GLU H H 126 8.262 8.262 7.839 0.423 18210 12294 1 17 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.329 -0.160 18210 12295 1 17 . 1 1 2 2 LYS C C 2 176.160 176.160 175.825 0.335 18210 12296 1 17 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.741 0.224 18210 12297 1 17 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.528 -0.263 18210 12298 1 17 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.184 -0.271 18210 12299 1 17 . 1 1 3 3 VAL C C 3 175.820 175.820 175.353 0.467 18210 12300 1 17 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.602 0.886 18210 12301 1 17 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.524 0.256 18210 12302 1 17 . 1 1 4 4 LYS N N 4 129.029 129.029 128.682 0.347 18210 12303 1 17 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.548 -0.041 18210 12304 1 17 . 1 1 4 4 LYS C C 4 174.923 174.923 175.982 -1.059 18210 12305 1 17 . 1 1 4 4 LYS CA C 4 57.303 57.303 57.020 0.283 18210 12306 1 17 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.586 -0.335 18210 12307 1 17 . 1 1 4 4 LYS H H 4 8.507 8.507 8.394 0.113 18210 12308 1 17 . 1 1 5 5 GLY N N 5 110.242 110.242 109.701 0.541 18210 12309 1 17 . 1 1 5 5 GLY C C 5 173.333 173.333 171.976 1.357 18210 12310 1 17 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.470 0.794 18210 12311 1 17 . 1 1 5 5 GLY H H 5 8.138 8.138 8.122 0.016 18210 12312 1 17 . 1 1 6 6 CYS N N 6 114.306 114.306 120.352 -6.046 18210 12313 1 17 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.051 0.200 18210 12314 1 17 . 1 1 6 6 CYS C C 6 170.891 170.891 172.815 -1.924 18210 12315 1 17 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.679 -2.829 18210 12316 1 17 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.790 21.360 18210 12317 1 17 . 1 1 6 6 CYS H H 6 6.750 6.750 8.046 -1.296 18210 12318 1 17 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.906 -0.158 18210 12319 1 17 . 1 1 7 7 ASP C C 7 175.607 175.607 175.624 -0.017 18210 12320 1 17 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.418 -0.180 18210 12321 1 17 . 1 1 7 7 ASP CB C 7 41.617 41.617 41.927 -0.310 18210 12322 1 17 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.563 0.314 18210 12323 1 17 . 1 1 8 8 PHE C C 8 173.972 173.972 175.750 -1.778 18210 12324 1 17 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.686 0.769 18210 12325 1 17 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.792 0.427 18210 12326 1 17 . 1 1 9 9 THR N N 9 105.421 105.421 112.485 -7.064 18210 12327 1 17 . 1 1 9 9 THR HA H 9 4.611 4.611 4.468 0.143 18210 12328 1 17 . 1 1 9 9 THR C C 9 174.505 174.505 174.354 0.151 18210 12329 1 17 . 1 1 9 9 THR CA C 9 61.988 61.988 62.767 -0.779 18210 12330 1 17 . 1 1 9 9 THR CB C 9 70.385 70.385 70.234 0.151 18210 12331 1 17 . 1 1 9 9 THR H H 9 8.996 8.996 8.382 0.614 18210 12332 1 17 . 1 1 10 10 THR N N 10 118.757 118.757 115.779 2.978 18210 12333 1 17 . 1 1 10 10 THR HA H 10 4.526 4.526 4.590 -0.064 18210 12334 1 17 . 1 1 10 10 THR C C 10 171.202 171.202 174.071 -2.869 18210 12335 1 17 . 1 1 10 10 THR CA C 10 60.774 60.774 61.424 -0.650 18210 12336 1 17 . 1 1 10 10 THR CB C 10 68.040 68.040 71.815 -3.775 18210 12337 1 17 . 1 1 10 10 THR H H 10 7.199 7.199 7.360 -0.161 18210 12338 1 17 . 1 1 11 11 SER N N 11 117.117 117.117 118.675 -1.558 18210 12339 1 17 . 1 1 11 11 SER HA H 11 3.907 3.907 4.279 -0.372 18210 12340 1 17 . 1 1 11 11 SER C C 11 174.988 174.988 174.437 0.551 18210 12341 1 17 . 1 1 11 11 SER CA C 11 59.563 59.563 60.922 -1.359 18210 12342 1 17 . 1 1 11 11 SER CB C 11 63.599 63.599 63.443 0.156 18210 12343 1 17 . 1 1 11 11 SER H H 11 7.997 7.997 8.761 -0.764 18210 12344 1 17 . 1 1 12 12 GLU N N 12 125.013 125.013 119.265 5.748 18210 12345 1 17 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.465 0.100 18210 12346 1 17 . 1 1 12 12 GLU C C 12 175.108 175.108 175.083 0.025 18210 12347 1 17 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.023 -0.764 18210 12348 1 17 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.171 0.757 18210 12349 1 17 . 1 1 12 12 GLU H H 12 8.375 8.375 8.172 0.203 18210 12350 1 17 . 1 1 13 13 SER N N 13 114.959 114.959 116.343 -1.384 18210 12351 1 17 . 1 1 13 13 SER HA H 13 4.130 4.130 4.457 -0.327 18210 12352 1 17 . 1 1 13 13 SER C C 13 176.833 176.833 175.421 1.412 18210 12353 1 17 . 1 1 13 13 SER CA C 13 58.707 58.707 58.604 0.103 18210 12354 1 17 . 1 1 13 13 SER CB C 13 63.598 63.598 64.556 -0.958 18210 12355 1 17 . 1 1 13 13 SER H H 13 7.879 7.879 8.018 -0.139 18210 12356 1 17 . 1 1 14 14 THR N N 14 117.688 117.688 119.643 -1.955 18210 12357 1 17 . 1 1 14 14 THR HA H 14 4.348 4.348 4.428 -0.080 18210 12358 1 17 . 1 1 14 14 THR C C 14 174.550 174.550 175.655 -1.105 18210 12359 1 17 . 1 1 14 14 THR CA C 14 62.435 62.435 62.157 0.278 18210 12360 1 17 . 1 1 14 14 THR CB C 14 69.114 69.114 68.267 0.847 18210 12361 1 17 . 1 1 14 14 THR H H 14 8.978 8.978 9.011 -0.033 18210 12362 1 17 . 1 1 15 15 ILE N N 15 118.851 118.851 116.090 2.761 18210 12363 1 17 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.350 -0.312 18210 12364 1 17 . 1 1 15 15 ILE C C 15 175.389 175.389 173.501 1.888 18210 12365 1 17 . 1 1 15 15 ILE CA C 15 62.700 62.700 61.140 1.560 18210 12366 1 17 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.513 1.934 18210 12367 1 17 . 1 1 15 15 ILE H H 15 7.947 7.947 7.556 0.391 18210 12368 1 17 . 1 1 16 16 PHE N N 16 116.409 116.409 119.998 -3.589 18210 12369 1 17 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.475 0.043 18210 12370 1 17 . 1 1 16 16 PHE C C 16 176.700 176.700 175.831 0.869 18210 12371 1 17 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.573 0.889 18210 12372 1 17 . 1 1 16 16 PHE CB C 16 42.712 42.712 41.815 0.897 18210 12373 1 17 . 1 1 16 16 PHE H H 16 7.792 7.792 7.738 0.054 18210 12374 1 17 . 1 1 17 17 SER N N 17 114.126 114.126 117.096 -2.970 18210 12375 1 17 . 1 1 17 17 SER HA H 17 3.984 3.984 4.292 -0.308 18210 12376 1 17 . 1 1 17 17 SER C C 17 174.203 174.203 174.656 -0.453 18210 12377 1 17 . 1 1 17 17 SER CA C 17 61.176 61.176 60.533 0.642 18210 12378 1 17 . 1 1 17 17 SER CB C 17 63.438 63.438 63.355 0.083 18210 12379 1 17 . 1 1 17 17 SER H H 17 8.666 8.666 8.580 0.086 18210 12380 1 17 . 1 1 18 18 LYS N N 18 122.828 122.828 119.899 2.929 18210 12381 1 17 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.564 0.194 18210 12382 1 17 . 1 1 18 18 LYS C C 18 174.029 174.029 175.018 -0.989 18210 12383 1 17 . 1 1 18 18 LYS CA C 18 55.661 55.661 54.844 0.817 18210 12384 1 17 . 1 1 18 18 LYS CB C 18 35.049 35.049 35.342 -0.293 18210 12385 1 17 . 1 1 18 18 LYS H H 18 8.031 8.031 7.420 0.611 18210 12386 1 17 . 1 1 19 19 GLY N N 19 112.051 112.051 108.288 3.763 18210 12387 1 17 . 1 1 19 19 GLY C C 19 172.307 172.307 172.560 -0.253 18210 12388 1 17 . 1 1 19 19 GLY CA C 19 44.946 44.946 45.100 -0.154 18210 12389 1 17 . 1 1 19 19 GLY H H 19 8.092 8.092 8.034 0.058 18210 12390 1 17 . 1 1 20 20 TYR N N 20 120.060 120.060 119.329 0.731 18210 12391 1 17 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.581 -0.011 18210 12392 1 17 . 1 1 20 20 TYR C C 20 173.557 173.557 174.678 -1.121 18210 12393 1 17 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.140 0.372 18210 12394 1 17 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.231 0.860 18210 12395 1 17 . 1 1 20 20 TYR H H 20 7.968 7.968 8.725 -0.757 18210 12396 1 17 . 1 1 21 21 SER N N 21 115.201 115.201 116.030 -0.829 18210 12397 1 17 . 1 1 21 21 SER HA H 21 4.562 4.562 4.710 -0.148 18210 12398 1 17 . 1 1 21 21 SER C C 21 176.172 176.172 176.101 0.071 18210 12399 1 17 . 1 1 21 21 SER CA C 21 56.537 56.537 55.727 0.810 18210 12400 1 17 . 1 1 21 21 SER CB C 21 65.257 65.257 64.517 0.740 18210 12401 1 17 . 1 1 21 21 SER H H 21 8.761 8.761 8.680 0.081 18210 12402 1 17 . 1 1 22 22 ILE N N 22 122.867 122.867 122.052 0.815 18210 12403 1 17 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.805 0.354 18210 12404 1 17 . 1 1 22 22 ILE C C 22 177.561 177.561 177.091 0.470 18210 12405 1 17 . 1 1 22 22 ILE CA C 22 62.713 62.713 64.023 -1.310 18210 12406 1 17 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.807 0.048 18210 12407 1 17 . 1 1 22 22 ILE H H 22 8.646 8.646 8.656 -0.010 18210 12408 1 17 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.632 -0.087 18210 12409 1 17 . 1 1 23 23 ASN C C 23 176.647 176.647 177.631 -0.984 18210 12410 1 17 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.639 -0.133 18210 12411 1 17 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.302 0.151 18210 12412 1 17 . 1 1 24 24 GLU N N 24 118.601 118.601 119.031 -0.430 18210 12413 1 17 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.115 0.171 18210 12414 1 17 . 1 1 24 24 GLU C C 24 177.998 177.998 178.604 -0.606 18210 12415 1 17 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.217 -0.910 18210 12416 1 17 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.562 1.096 18210 12417 1 17 . 1 1 24 24 GLU H H 24 7.837 7.837 7.941 -0.104 18210 12418 1 17 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.125 0.048 18210 12419 1 17 . 1 1 25 25 ILE C C 25 176.641 176.641 175.204 1.437 18210 12420 1 17 . 1 1 25 25 ILE CA C 25 62.612 62.612 62.433 0.179 18210 12421 1 17 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.346 0.014 18210 12422 1 17 . 1 1 26 26 SER N N 26 116.293 116.293 115.151 1.142 18210 12423 1 17 . 1 1 26 26 SER HA H 26 4.663 4.663 4.704 -0.041 18210 12424 1 17 . 1 1 26 26 SER C C 26 174.462 174.462 172.958 1.504 18210 12425 1 17 . 1 1 26 26 SER CA C 26 58.392 58.392 57.208 1.184 18210 12426 1 17 . 1 1 26 26 SER CB C 26 64.380 64.380 64.138 0.242 18210 12427 1 17 . 1 1 26 26 SER H H 26 7.813 7.813 7.388 0.425 18210 12428 1 17 . 1 1 27 27 ASN N N 27 121.919 121.919 120.049 1.870 18210 12429 1 17 . 1 1 27 27 ASN HA H 27 4.721 4.721 5.228 -0.507 18210 12430 1 17 . 1 1 27 27 ASN C C 27 175.869 175.869 176.018 -0.149 18210 12431 1 17 . 1 1 27 27 ASN CA C 27 54.010 54.010 51.438 2.572 18210 12432 1 17 . 1 1 27 27 ASN CB C 27 38.640 38.640 39.290 -0.650 18210 12433 1 17 . 1 1 27 27 ASN H H 27 8.521 8.521 8.316 0.205 18210 12434 1 17 . 1 1 28 28 LYS N N 28 121.697 121.697 121.559 0.138 18210 12435 1 17 . 1 1 28 28 LYS HA H 28 4.360 4.360 3.944 0.416 18210 12436 1 17 . 1 1 28 28 LYS C C 28 176.952 176.952 176.524 0.428 18210 12437 1 17 . 1 1 28 28 LYS CA C 28 56.967 56.967 58.927 -1.960 18210 12438 1 17 . 1 1 28 28 LYS CB C 28 32.730 32.730 32.579 0.151 18210 12439 1 17 . 1 1 28 28 LYS H H 28 8.367 8.367 8.856 -0.489 18210 12440 1 17 . 1 1 29 29 SER HA H 29 4.498 4.498 4.542 -0.044 18210 12441 1 17 . 1 1 29 29 SER C C 29 174.741 174.741 173.218 1.523 18210 12442 1 17 . 1 1 29 29 SER CA C 29 58.557 58.557 57.516 1.041 18210 12443 1 17 . 1 1 29 29 SER CB C 29 63.945 63.945 63.939 0.006 18210 12444 1 17 . 1 1 30 30 SER N N 30 116.470 116.470 120.144 -3.674 18210 12445 1 17 . 1 1 30 30 SER HA H 30 4.429 4.429 4.664 -0.235 18210 12446 1 17 . 1 1 30 30 SER C C 30 174.467 174.467 174.529 -0.062 18210 12447 1 17 . 1 1 30 30 SER CA C 30 58.616 58.616 57.553 1.063 18210 12448 1 17 . 1 1 30 30 SER CB C 30 63.834 63.834 63.743 0.091 18210 12449 1 17 . 1 1 30 30 SER H H 30 8.140 8.140 8.619 -0.479 18210 12450 1 17 . 1 1 31 31 ASN N N 31 119.457 119.457 125.671 -6.214 18210 12451 1 17 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.859 -0.162 18210 12452 1 17 . 1 1 31 31 ASN C C 31 174.930 174.930 174.558 0.372 18210 12453 1 17 . 1 1 31 31 ASN CA C 31 53.583 53.583 52.661 0.922 18210 12454 1 17 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.311 0.422 18210 12455 1 17 . 1 1 31 31 ASN H H 31 8.354 8.354 8.893 -0.539 18210 12456 1 17 . 1 1 32 32 ASN N N 32 118.038 118.038 117.531 0.507 18210 12457 1 17 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.780 -0.082 18210 12458 1 17 . 1 1 32 32 ASN C C 32 174.979 174.979 173.106 1.873 18210 12459 1 17 . 1 1 32 32 ASN CA C 32 53.580 53.580 52.749 0.831 18210 12460 1 17 . 1 1 32 32 ASN CB C 32 38.810 38.810 39.783 -0.973 18210 12461 1 17 . 1 1 32 32 ASN H H 32 8.218 8.218 7.523 0.695 18210 12462 1 17 . 1 1 33 33 GLN N N 33 119.603 119.603 118.967 0.636 18210 12463 1 17 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.338 0.015 18210 12464 1 17 . 1 1 33 33 GLN C C 33 175.735 175.735 176.047 -0.312 18210 12465 1 17 . 1 1 33 33 GLN CA C 33 55.883 55.883 56.466 -0.583 18210 12466 1 17 . 1 1 33 33 GLN CB C 33 29.131 29.131 29.142 -0.011 18210 12467 1 17 . 1 1 33 33 GLN H H 33 8.337 8.337 8.336 0.001 18210 12468 1 17 . 1 1 34 34 GLN HA H 34 4.278 4.278 3.970 0.308 18210 12469 1 17 . 1 1 34 34 GLN C C 34 175.170 175.170 175.468 -0.298 18210 12470 1 17 . 1 1 34 34 GLN CA C 34 56.102 56.102 57.513 -1.411 18210 12471 1 17 . 1 1 34 34 GLN CB C 34 29.870 29.870 28.618 1.252 18210 12472 1 17 . 1 1 34 34 GLN H H 34 8.087 8.087 8.711 -0.624 18210 12473 1 17 . 1 1 35 35 ASP HA H 35 4.720 4.720 4.639 0.081 18210 12474 1 17 . 1 1 35 35 ASP C C 35 175.810 175.810 176.220 -0.410 18210 12475 1 17 . 1 1 35 35 ASP CA C 35 54.292 54.292 54.208 0.084 18210 12476 1 17 . 1 1 35 35 ASP CB C 35 41.462 41.462 40.542 0.920 18210 12477 1 17 . 1 1 35 35 ASP H H 35 8.033 8.033 8.067 -0.034 18210 12478 1 17 . 1 1 36 36 ILE N N 36 122.378 122.378 124.439 -2.061 18210 12479 1 17 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.192 -0.128 18210 12480 1 17 . 1 1 36 36 ILE C C 36 173.823 173.823 174.826 -1.003 18210 12481 1 17 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.191 1.315 18210 12482 1 17 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.660 0.052 18210 12483 1 17 . 1 1 36 36 ILE H H 36 8.421 8.421 7.989 0.431 18210 12484 1 17 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.749 -0.242 18210 12485 1 17 . 1 1 37 37 VAL C C 37 174.956 174.956 175.529 -0.573 18210 12486 1 17 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.900 0.635 18210 12487 1 17 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.417 -1.485 18210 12488 1 17 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.698 0.083 18210 12489 1 17 . 1 1 38 38 CYS C C 38 172.106 172.106 174.393 -2.287 18210 12490 1 17 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.186 -2.968 18210 12491 1 17 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.361 23.596 18210 12492 1 17 . 1 1 39 39 THR N N 39 123.385 123.385 123.444 -0.059 18210 12493 1 17 . 1 1 39 39 THR HA H 39 4.998 4.998 4.833 0.165 18210 12494 1 17 . 1 1 39 39 THR C C 39 174.687 174.687 174.202 0.485 18210 12495 1 17 . 1 1 39 39 THR CA C 39 61.514 61.514 62.023 -0.509 18210 12496 1 17 . 1 1 39 39 THR CB C 39 69.880 69.880 69.535 0.345 18210 12497 1 17 . 1 1 39 39 THR H H 39 8.229 8.229 8.526 -0.297 18210 12498 1 17 . 1 1 40 40 VAL N N 40 125.782 125.782 122.397 3.385 18210 12499 1 17 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.573 -0.293 18210 12500 1 17 . 1 1 40 40 VAL C C 40 173.622 173.622 173.784 -0.162 18210 12501 1 17 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.418 0.989 18210 12502 1 17 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.400 -0.600 18210 12503 1 17 . 1 1 40 40 VAL H H 40 8.892 8.892 8.002 0.890 18210 12504 1 17 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.775 0.130 18210 12505 1 17 . 1 1 41 41 LYS C C 41 175.624 175.624 175.709 -0.085 18210 12506 1 17 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.040 -0.793 18210 12507 1 17 . 1 1 41 41 LYS CB C 41 31.902 31.902 32.937 -1.035 18210 12508 1 17 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.642 -0.335 18210 12509 1 17 . 1 1 42 42 ALA C C 42 175.028 175.028 175.149 -0.121 18210 12510 1 17 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.046 0.498 18210 12511 1 17 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.867 0.366 18210 12512 1 17 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.793 -0.014 18210 12513 1 17 . 1 1 43 43 HIS C C 43 172.767 172.767 174.795 -2.028 18210 12514 1 17 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.417 -1.816 18210 12515 1 17 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.912 -2.613 18210 12516 1 17 . 1 1 43 43 HIS H H 43 8.722 8.722 8.612 0.110 18210 12517 1 17 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.137 -0.097 18210 12518 1 17 . 1 1 44 44 ALA C C 44 178.087 178.087 178.113 -0.026 18210 12519 1 17 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.520 -0.658 18210 12520 1 17 . 1 1 44 44 ALA CB C 44 19.024 19.024 19.073 -0.049 18210 12521 1 17 . 1 1 44 44 ALA H H 44 8.468 8.468 8.255 0.213 18210 12522 1 17 . 1 1 45 45 ASN N N 45 113.483 113.483 115.121 -1.638 18210 12523 1 17 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.847 -0.505 18210 12524 1 17 . 1 1 45 45 ASN C C 45 174.441 174.441 175.075 -0.634 18210 12525 1 17 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.504 1.824 18210 12526 1 17 . 1 1 45 45 ASN CB C 45 38.679 38.679 40.310 -1.631 18210 12527 1 17 . 1 1 45 45 ASN H H 45 7.356 7.356 8.184 -0.828 18210 12528 1 17 . 1 1 46 46 ASP N N 46 120.941 120.941 121.176 -0.235 18210 12529 1 17 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.778 -0.187 18210 12530 1 17 . 1 1 46 46 ASP C C 46 175.724 175.724 175.828 -0.104 18210 12531 1 17 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.568 1.601 18210 12532 1 17 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.422 0.097 18210 12533 1 17 . 1 1 46 46 ASP H H 46 7.959 7.959 8.092 -0.133 18210 12534 1 17 . 1 1 47 47 LEU N N 47 123.735 123.735 121.660 2.075 18210 12535 1 17 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.431 0.545 18210 12536 1 17 . 1 1 47 47 LEU C C 47 175.735 175.735 176.897 -1.162 18210 12537 1 17 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.941 -0.249 18210 12538 1 17 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.627 0.939 18210 12539 1 17 . 1 1 47 47 LEU H H 47 8.156 8.156 8.523 -0.367 18210 12540 1 17 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.739 0.532 18210 12541 1 17 . 1 1 48 48 ILE C C 48 175.979 175.979 175.343 0.636 18210 12542 1 17 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.861 0.092 18210 12543 1 17 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.640 2.498 18210 12544 1 17 . 1 1 49 49 GLY N N 49 102.726 102.726 110.808 -8.082 18210 12545 1 17 . 1 1 49 49 GLY C C 49 169.506 169.506 171.856 -2.350 18210 12546 1 17 . 1 1 49 49 GLY CA C 49 48.190 48.190 46.073 2.117 18210 12547 1 17 . 1 1 49 49 GLY H H 49 7.900 7.900 8.539 -0.639 18210 12548 1 17 . 1 1 50 50 PHE N N 50 111.884 111.884 113.409 -1.525 18210 12549 1 17 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.556 0.357 18210 12550 1 17 . 1 1 50 50 PHE C C 50 171.823 171.823 172.004 -0.181 18210 12551 1 17 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.551 -0.824 18210 12552 1 17 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.527 0.502 18210 12553 1 17 . 1 1 50 50 PHE H H 50 8.248 8.248 8.059 0.189 18210 12554 1 17 . 1 1 51 51 LYS N N 51 117.924 117.924 119.213 -1.289 18210 12555 1 17 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.240 0.144 18210 12556 1 17 . 1 1 51 51 LYS C C 51 176.140 176.140 174.500 1.640 18210 12557 1 17 . 1 1 51 51 LYS CA C 51 54.421 54.421 55.034 -0.613 18210 12558 1 17 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.304 0.616 18210 12559 1 17 . 1 1 51 51 LYS H H 51 7.857 7.857 7.908 -0.051 18210 12560 1 17 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.117 -0.096 18210 12561 1 17 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.781 -4.590 18210 12562 1 17 . 1 1 52 52 CYS CB C 52 41.187 41.187 30.081 11.106 18210 12563 1 17 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.418 -0.041 18210 12564 1 17 . 1 1 53 53 PRO C C 53 177.624 177.624 177.145 0.479 18210 12565 1 17 . 1 1 53 53 PRO CA C 53 62.570 62.570 62.984 -0.414 18210 12566 1 17 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.505 -1.249 18210 12567 1 17 . 1 1 54 54 SER HA H 54 4.106 4.106 4.228 -0.121 18210 12568 1 17 . 1 1 54 54 SER C C 54 174.271 174.271 174.974 -0.703 18210 12569 1 17 . 1 1 54 54 SER CA C 54 61.221 61.221 59.899 1.322 18210 12570 1 17 . 1 1 54 54 SER CB C 54 63.243 63.243 63.181 0.062 18210 12571 1 17 . 1 1 55 55 ASN N N 55 115.116 115.116 116.858 -1.742 18210 12572 1 17 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.767 -0.094 18210 12573 1 17 . 1 1 55 55 ASN C C 55 174.556 174.556 174.871 -0.315 18210 12574 1 17 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.605 0.259 18210 12575 1 17 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.706 -1.782 18210 12576 1 17 . 1 1 55 55 ASN H H 55 8.712 8.712 8.469 0.243 18210 12577 1 17 . 1 1 56 56 TYR N N 56 120.489 120.489 119.621 0.868 18210 12578 1 17 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.607 0.085 18210 12579 1 17 . 1 1 56 56 TYR C C 56 176.019 176.019 175.030 0.989 18210 12580 1 17 . 1 1 56 56 TYR CA C 56 57.469 57.469 57.792 -0.323 18210 12581 1 17 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.131 -2.433 18210 12582 1 17 . 1 1 56 56 TYR H H 56 7.637 7.637 7.719 -0.082 18210 12583 1 17 . 1 1 57 57 SER N N 57 117.381 117.381 115.631 1.750 18210 12584 1 17 . 1 1 57 57 SER HA H 57 4.915 4.915 4.798 0.117 18210 12585 1 17 . 1 1 57 57 SER C C 57 173.649 173.649 173.797 -0.148 18210 12586 1 17 . 1 1 57 57 SER CA C 57 57.586 57.586 56.355 1.231 18210 12587 1 17 . 1 1 57 57 SER CB C 57 64.766 64.766 64.170 0.596 18210 12588 1 17 . 1 1 57 57 SER H H 57 9.323 9.323 8.341 0.982 18210 12589 1 17 . 1 1 58 58 VAL N N 58 125.696 125.696 120.003 5.693 18210 12590 1 17 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.377 0.435 18210 12591 1 17 . 1 1 58 58 VAL C C 58 174.911 174.911 175.061 -0.150 18210 12592 1 17 . 1 1 58 58 VAL CA C 58 61.889 61.889 60.803 1.086 18210 12593 1 17 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.578 0.607 18210 12594 1 17 . 1 1 58 58 VAL H H 58 8.474 8.474 8.720 -0.246 18210 12595 1 17 . 1 1 59 59 GLU HA H 59 4.660 4.660 5.004 -0.344 18210 12596 1 17 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.613 -0.014 18210 12597 1 17 . 1 1 59 59 GLU CB C 59 32.910 32.910 33.362 -0.452 18210 12598 1 17 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.622 0.078 18210 12599 1 17 . 1 1 60 60 PRO C C 60 176.708 176.708 176.433 0.275 18210 12600 1 17 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.016 -0.284 18210 12601 1 17 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.620 1.386 18210 12602 1 17 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.589 -0.226 18210 12603 1 17 . 1 1 61 61 HIS C C 61 174.320 174.320 174.647 -0.327 18210 12604 1 17 . 1 1 61 61 HIS CA C 61 58.473 58.473 58.039 0.434 18210 12605 1 17 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.016 -2.501 18210 12606 1 17 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.621 0.422 18210 12607 1 17 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.289 -1.951 18210 12608 1 17 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.504 -0.994 18210 12609 1 17 . 1 1 63 63 CYS N N 63 120.346 120.346 117.988 2.358 18210 12610 1 17 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.643 -0.420 18210 12611 1 17 . 1 1 63 63 CYS C C 63 171.976 171.976 175.471 -3.495 18210 12612 1 17 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.345 -0.841 18210 12613 1 17 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.853 13.228 18210 12614 1 17 . 1 1 63 63 CYS H H 63 6.446 6.446 8.219 -1.773 18210 12615 1 17 . 1 1 64 64 PHE N N 64 116.155 116.155 117.618 -1.463 18210 12616 1 17 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.443 -0.223 18210 12617 1 17 . 1 1 64 64 PHE C C 64 177.110 177.110 176.858 0.252 18210 12618 1 17 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.366 0.225 18210 12619 1 17 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.960 3.189 18210 12620 1 17 . 1 1 64 64 PHE H H 64 7.697 7.697 7.621 0.076 18210 12621 1 17 . 1 1 65 65 VAL N N 65 119.794 119.794 120.004 -0.210 18210 12622 1 17 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.705 0.260 18210 12623 1 17 . 1 1 65 65 VAL C C 65 176.948 176.948 175.791 1.157 18210 12624 1 17 . 1 1 65 65 VAL CA C 65 66.963 66.963 66.488 0.475 18210 12625 1 17 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.730 -0.646 18210 12626 1 17 . 1 1 65 65 VAL H H 65 8.449 8.449 7.068 1.381 18210 12627 1 17 . 1 1 66 66 SER N N 66 113.648 113.648 110.752 2.896 18210 12628 1 17 . 1 1 66 66 SER HA H 66 5.041 5.041 4.405 0.636 18210 12629 1 17 . 1 1 66 66 SER C C 66 173.905 173.905 172.305 1.600 18210 12630 1 17 . 1 1 66 66 SER CA C 66 56.701 56.701 57.349 -0.647 18210 12631 1 17 . 1 1 66 66 SER CB C 66 65.738 65.738 63.661 2.077 18210 12632 1 17 . 1 1 66 66 SER H H 66 7.706 7.706 7.652 0.054 18210 12633 1 17 . 1 1 67 67 ALA N N 67 115.370 115.370 126.757 -11.387 18210 12634 1 17 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.164 -0.120 18210 12635 1 17 . 1 1 67 67 ALA C C 67 175.316 175.316 174.443 0.873 18210 12636 1 17 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.660 0.462 18210 12637 1 17 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.494 3.333 18210 12638 1 17 . 1 1 67 67 ALA H H 67 9.280 9.280 7.569 1.711 18210 12639 1 17 . 1 1 68 68 PHE N N 68 116.820 116.820 117.568 -0.748 18210 12640 1 17 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.143 -0.144 18210 12641 1 17 . 1 1 68 68 PHE C C 68 176.533 176.533 176.534 -0.001 18210 12642 1 17 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.918 0.620 18210 12643 1 17 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.308 -0.344 18210 12644 1 17 . 1 1 68 68 PHE H H 68 8.520 8.520 8.534 -0.014 18210 12645 1 17 . 1 1 69 69 ASN N N 69 118.203 118.203 121.487 -3.284 18210 12646 1 17 . 1 1 69 69 ASN HA H 69 5.042 5.042 5.135 -0.093 18210 12647 1 17 . 1 1 69 69 ASN C C 69 176.820 176.820 177.450 -0.630 18210 12648 1 17 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.488 -1.452 18210 12649 1 17 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.363 0.131 18210 12650 1 17 . 1 1 69 69 ASN H H 69 8.498 8.498 8.929 -0.431 18210 12651 1 17 . 1 1 70 70 LEU N N 70 118.189 118.189 120.974 -2.785 18210 12652 1 17 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.395 -0.116 18210 12653 1 17 . 1 1 70 70 LEU C C 70 178.484 178.484 178.335 0.149 18210 12654 1 17 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.857 -0.093 18210 12655 1 17 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.802 -0.164 18210 12656 1 17 . 1 1 70 70 LEU H H 70 8.514 8.514 8.885 -0.371 18210 12657 1 17 . 1 1 71 71 SER N N 71 113.939 113.939 113.054 0.885 18210 12658 1 17 . 1 1 71 71 SER HA H 71 4.572 4.572 4.459 0.113 18210 12659 1 17 . 1 1 71 71 SER C C 71 174.682 174.682 175.404 -0.722 18210 12660 1 17 . 1 1 71 71 SER CA C 71 58.758 58.758 58.338 0.420 18210 12661 1 17 . 1 1 71 71 SER CB C 71 63.762 63.762 63.257 0.505 18210 12662 1 17 . 1 1 71 71 SER H H 71 8.049 8.049 7.902 0.147 18210 12663 1 17 . 1 1 72 72 GLY N N 72 109.936 109.936 108.180 1.756 18210 12664 1 17 . 1 1 72 72 GLY C C 72 173.549 173.549 173.438 0.111 18210 12665 1 17 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.477 0.161 18210 12666 1 17 . 1 1 72 72 GLY H H 72 8.641 8.641 8.023 0.618 18210 12667 1 17 . 1 1 73 73 LYS N N 73 119.884 119.884 119.097 0.787 18210 12668 1 17 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.502 0.051 18210 12669 1 17 . 1 1 73 73 LYS C C 73 175.750 175.750 175.463 0.287 18210 12670 1 17 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.562 0.097 18210 12671 1 17 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.506 0.235 18210 12672 1 17 . 1 1 73 73 LYS H H 73 7.738 7.738 7.865 -0.127 18210 12673 1 17 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.990 -0.470 18210 12674 1 17 . 1 1 74 74 ASN C C 74 174.680 174.680 174.880 -0.200 18210 12675 1 17 . 1 1 74 74 ASN CA C 74 54.232 54.232 52.887 1.345 18210 12676 1 17 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.682 0.645 18210 12677 1 17 . 1 1 75 75 GLU N N 75 124.834 124.834 126.719 -1.885 18210 12678 1 17 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.499 0.099 18210 12679 1 17 . 1 1 75 75 GLU C C 75 174.547 174.547 174.730 -0.183 18210 12680 1 17 . 1 1 75 75 GLU CA C 75 54.887 54.887 54.610 0.277 18210 12681 1 17 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.472 -0.564 18210 12682 1 17 . 1 1 75 75 GLU H H 75 8.835 8.835 8.054 0.781 18210 12683 1 17 . 1 1 76 76 ASN N N 76 121.549 121.549 122.206 -0.657 18210 12684 1 17 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.911 -0.236 18210 12685 1 17 . 1 1 76 76 ASN C C 76 175.670 175.670 176.000 -0.330 18210 12686 1 17 . 1 1 76 76 ASN CA C 76 54.120 54.120 53.900 0.220 18210 12687 1 17 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.775 0.267 18210 12688 1 17 . 1 1 76 76 ASN H H 76 8.580 8.580 8.669 -0.089 18210 12689 1 17 . 1 1 77 77 LEU N N 77 125.808 125.808 122.634 3.174 18210 12690 1 17 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.584 -0.477 18210 12691 1 17 . 1 1 77 77 LEU C C 77 178.104 178.104 177.341 0.763 18210 12692 1 17 . 1 1 77 77 LEU CA C 77 55.991 55.991 53.868 2.123 18210 12693 1 17 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.510 -0.126 18210 12694 1 17 . 1 1 77 77 LEU H H 77 8.610 8.610 8.220 0.390 18210 12695 1 17 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.182 -0.166 18210 12696 1 17 . 1 1 78 78 GLU C C 78 176.833 176.833 177.426 -0.593 18210 12697 1 17 . 1 1 78 78 GLU CA C 78 59.650 59.650 59.054 0.596 18210 12698 1 17 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.831 0.853 18210 12699 1 17 . 1 1 79 79 ASN N N 79 114.719 114.719 116.770 -2.051 18210 12700 1 17 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.436 0.128 18210 12701 1 17 . 1 1 79 79 ASN C C 79 175.510 175.510 176.446 -0.936 18210 12702 1 17 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.397 -1.005 18210 12703 1 17 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.527 1.191 18210 12704 1 17 . 1 1 79 79 ASN H H 79 8.257 8.257 8.472 -0.215 18210 12705 1 17 . 1 1 80 80 LYS N N 80 118.906 118.906 119.611 -0.705 18210 12706 1 17 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.198 0.095 18210 12707 1 17 . 1 1 80 80 LYS C C 80 175.748 175.748 176.426 -0.678 18210 12708 1 17 . 1 1 80 80 LYS CA C 80 57.765 57.765 56.907 0.858 18210 12709 1 17 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.171 1.174 18210 12710 1 17 . 1 1 80 80 LYS H H 80 7.818 7.818 7.741 0.077 18210 12711 1 17 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.433 -0.283 18210 12712 1 17 . 1 1 81 81 LEU C C 81 174.688 174.688 175.099 -0.411 18210 12713 1 17 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.680 0.842 18210 12714 1 17 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.229 -1.166 18210 12715 1 17 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.217 -0.048 18210 12716 1 17 . 1 1 82 82 LYS C C 82 175.701 175.701 175.605 0.096 18210 12717 1 17 . 1 1 82 82 LYS CA C 82 56.168 56.168 56.215 -0.047 18210 12718 1 17 . 1 1 82 82 LYS CB C 82 30.017 30.017 30.749 -0.732 18210 12719 1 17 . 1 1 83 83 LEU N N 83 120.762 120.762 125.263 -4.501 18210 12720 1 17 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.343 0.077 18210 12721 1 17 . 1 1 83 83 LEU C C 83 177.184 177.184 177.590 -0.406 18210 12722 1 17 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.764 0.455 18210 12723 1 17 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.766 -0.455 18210 12724 1 17 . 1 1 83 83 LEU H H 83 7.485 7.485 7.897 -0.412 18210 12725 1 17 . 1 1 84 84 THR N N 84 110.955 110.955 114.824 -3.869 18210 12726 1 17 . 1 1 84 84 THR HA H 84 4.712 4.712 4.522 0.190 18210 12727 1 17 . 1 1 84 84 THR C C 84 173.001 173.001 174.224 -1.223 18210 12728 1 17 . 1 1 84 84 THR CA C 84 59.883 59.883 60.803 -0.920 18210 12729 1 17 . 1 1 84 84 THR CB C 84 71.825 71.825 71.811 0.014 18210 12730 1 17 . 1 1 84 84 THR H H 84 8.519 8.519 8.587 -0.068 18210 12731 1 17 . 1 1 85 85 ASN N N 85 117.589 117.589 117.741 -0.152 18210 12732 1 17 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.389 -0.243 18210 12733 1 17 . 1 1 85 85 ASN C C 85 173.572 173.572 174.383 -0.811 18210 12734 1 17 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.964 0.355 18210 12735 1 17 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.278 1.630 18210 12736 1 17 . 1 1 85 85 ASN H H 85 8.850 8.850 8.740 0.110 18210 12737 1 17 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.200 0.092 18210 12738 1 17 . 1 1 86 86 ILE C C 86 177.346 177.346 176.123 1.223 18210 12739 1 17 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.614 1.193 18210 12740 1 17 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.840 -0.141 18210 12741 1 17 . 1 1 87 87 ILE N N 87 131.807 131.807 129.222 2.585 18210 12742 1 17 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.526 -0.271 18210 12743 1 17 . 1 1 87 87 ILE C C 87 174.493 174.493 174.412 0.081 18210 12744 1 17 . 1 1 87 87 ILE CA C 87 60.152 60.152 60.008 0.144 18210 12745 1 17 . 1 1 87 87 ILE CB C 87 41.110 41.110 38.793 2.317 18210 12746 1 17 . 1 1 87 87 ILE H H 87 9.166 9.166 8.349 0.817 18210 12747 1 17 . 1 1 88 88 MET HA H 88 4.017 4.017 4.607 -0.590 18210 12748 1 17 . 1 1 88 88 MET C C 88 173.613 173.613 174.471 -0.858 18210 12749 1 17 . 1 1 88 88 MET CA C 88 53.287 53.287 54.801 -1.514 18210 12750 1 17 . 1 1 88 88 MET CB C 88 33.478 33.478 34.994 -1.516 18210 12751 1 17 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.945 -0.248 18210 12752 1 17 . 1 1 89 89 ASP C C 89 176.750 176.750 175.717 1.033 18210 12753 1 17 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.483 -0.381 18210 12754 1 17 . 1 1 89 89 ASP CB C 89 40.191 40.191 42.244 -2.053 18210 12755 1 17 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.314 0.127 18210 12756 1 17 . 1 1 90 90 HIS C C 90 175.625 175.625 176.149 -0.524 18210 12757 1 17 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.953 -0.699 18210 12758 1 17 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.113 -1.534 18210 12759 1 17 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.221 0.219 18210 12760 1 17 . 1 1 91 91 TYR C C 91 177.915 177.915 176.032 1.883 18210 12761 1 17 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.009 -0.249 18210 12762 1 17 . 1 1 91 91 TYR CB C 91 38.067 38.067 39.094 -1.027 18210 12763 1 17 . 1 1 92 92 ASN N N 92 113.661 113.661 114.642 -0.981 18210 12764 1 17 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.514 0.259 18210 12765 1 17 . 1 1 92 92 ASN C C 92 174.762 174.762 174.836 -0.074 18210 12766 1 17 . 1 1 92 92 ASN CA C 92 52.615 52.615 53.029 -0.414 18210 12767 1 17 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.603 0.679 18210 12768 1 17 . 1 1 92 92 ASN H H 92 7.713 7.713 7.980 -0.267 18210 12769 1 17 . 1 1 93 93 ASN N N 93 125.176 125.176 114.332 10.844 18210 12770 1 17 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.270 0.439 18210 12771 1 17 . 1 1 93 93 ASN C C 93 172.729 172.729 173.193 -0.464 18210 12772 1 17 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.399 -1.664 18210 12773 1 17 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.700 1.261 18210 12774 1 17 . 1 1 93 93 ASN H H 93 7.804 7.804 7.859 -0.055 18210 12775 1 17 . 1 1 94 94 THR N N 94 109.900 109.900 112.393 -2.493 18210 12776 1 17 . 1 1 94 94 THR HA H 94 4.852 4.852 4.931 -0.079 18210 12777 1 17 . 1 1 94 94 THR C C 94 170.824 170.824 171.836 -1.012 18210 12778 1 17 . 1 1 94 94 THR CA C 94 61.817 61.817 60.375 1.442 18210 12779 1 17 . 1 1 94 94 THR CB C 94 71.074 71.074 71.142 -0.069 18210 12780 1 17 . 1 1 94 94 THR H H 94 7.654 7.654 7.286 0.368 18210 12781 1 17 . 1 1 95 95 PHE N N 95 126.721 126.721 125.356 1.365 18210 12782 1 17 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.240 -0.132 18210 12783 1 17 . 1 1 95 95 PHE C C 95 174.143 174.143 174.123 0.020 18210 12784 1 17 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.502 0.067 18210 12785 1 17 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.362 0.431 18210 12786 1 17 . 1 1 95 95 PHE H H 95 8.166 8.166 7.885 0.281 18210 12787 1 17 . 1 1 96 96 TYR N N 96 115.709 115.709 120.436 -4.727 18210 12788 1 17 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.440 0.627 18210 12789 1 17 . 1 1 96 96 TYR C C 96 175.734 175.734 174.848 0.886 18210 12790 1 17 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.686 -0.254 18210 12791 1 17 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.642 1.524 18210 12792 1 17 . 1 1 96 96 TYR H H 96 9.149 9.149 8.667 0.482 18210 12793 1 17 . 1 1 97 97 SER N N 97 109.503 109.503 114.518 -5.015 18210 12794 1 17 . 1 1 97 97 SER HA H 97 4.430 4.430 4.948 -0.518 18210 12795 1 17 . 1 1 97 97 SER C C 97 170.684 170.684 173.432 -2.748 18210 12796 1 17 . 1 1 97 97 SER CA C 97 59.324 59.324 57.106 2.217 18210 12797 1 17 . 1 1 97 97 SER CB C 97 66.341 66.341 66.011 0.330 18210 12798 1 17 . 1 1 97 97 SER H H 97 8.921 8.921 9.217 -0.296 18210 12799 1 17 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.831 0.563 18210 12800 1 17 . 1 1 98 98 ARG C C 98 175.850 175.850 175.407 0.443 18210 12801 1 17 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.904 -0.728 18210 12802 1 17 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.279 0.848 18210 12803 1 17 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.742 -0.412 18210 12804 1 17 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.279 1.527 18210 12805 1 17 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.151 -1.248 18210 12806 1 17 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.405 0.271 18210 12807 1 17 . 1 1 100 100 PRO C C 100 175.744 175.744 176.318 -0.574 18210 12808 1 17 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.127 -0.838 18210 12809 1 17 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.619 0.167 18210 12810 1 17 . 1 1 101 101 SER HA H 101 4.126 4.126 4.358 -0.232 18210 12811 1 17 . 1 1 101 101 SER C C 101 173.214 173.214 173.937 -0.723 18210 12812 1 17 . 1 1 101 101 SER CA C 101 60.265 60.265 59.792 0.473 18210 12813 1 17 . 1 1 101 101 SER CB C 101 63.660 63.660 63.794 -0.134 18210 12814 1 17 . 1 1 102 102 LEU N N 102 121.389 121.389 121.847 -0.458 18210 12815 1 17 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.595 -0.063 18210 12816 1 17 . 1 1 102 102 LEU C C 102 175.187 175.187 175.188 -0.001 18210 12817 1 17 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.950 -0.264 18210 12818 1 17 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.553 -0.173 18210 12819 1 17 . 1 1 102 102 LEU H H 102 7.179 7.179 7.433 -0.254 18210 12820 1 17 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.482 -0.039 18210 12821 1 17 . 1 1 103 103 ILE C C 103 175.490 175.490 175.898 -0.408 18210 12822 1 17 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.432 -1.524 18210 12823 1 17 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.387 0.291 18210 12824 1 17 . 1 1 104 104 SER N N 104 120.807 120.807 121.148 -0.341 18210 12825 1 17 . 1 1 104 104 SER HA H 104 4.581 4.581 4.531 0.050 18210 12826 1 17 . 1 1 104 104 SER C C 104 173.234 173.234 174.416 -1.182 18210 12827 1 17 . 1 1 104 104 SER CA C 104 58.166 58.166 58.231 -0.065 18210 12828 1 17 . 1 1 104 104 SER CB C 104 64.341 64.341 63.746 0.595 18210 12829 1 17 . 1 1 104 104 SER H H 104 8.471 8.471 8.387 0.084 18210 12830 1 17 . 1 1 105 105 ASP N N 105 119.103 119.103 122.718 -3.615 18210 12831 1 17 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.788 -0.139 18210 12832 1 17 . 1 1 105 105 ASP C C 105 174.991 174.991 175.881 -0.890 18210 12833 1 17 . 1 1 105 105 ASP CA C 105 53.734 53.734 54.286 -0.552 18210 12834 1 17 . 1 1 105 105 ASP CB C 105 42.477 42.477 41.939 0.538 18210 12835 1 17 . 1 1 105 105 ASP H H 105 8.060 8.060 8.024 0.036 18210 12836 1 17 . 1 1 106 106 ASN N N 106 116.036 116.036 118.030 -1.994 18210 12837 1 17 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.927 -0.192 18210 12838 1 17 . 1 1 106 106 ASN C C 106 174.308 174.308 175.319 -1.011 18210 12839 1 17 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.798 0.982 18210 12840 1 17 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.430 0.592 18210 12841 1 17 . 1 1 106 106 ASN H H 106 8.389 8.389 8.512 -0.123 18210 12842 1 17 . 1 1 107 107 TRP N N 107 119.645 119.645 120.636 -0.991 18210 12843 1 17 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.713 0.116 18210 12844 1 17 . 1 1 107 107 TRP C C 107 174.949 174.949 174.342 0.607 18210 12845 1 17 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.215 -0.023 18210 12846 1 17 . 1 1 107 107 TRP CB C 107 32.213 32.213 30.075 2.138 18210 12847 1 17 . 1 1 107 107 TRP H H 107 7.846 7.846 7.660 0.186 18210 12848 1 17 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.594 0.868 18210 12849 1 17 . 1 1 108 108 LYS C C 108 174.986 174.986 174.481 0.505 18210 12850 1 17 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.314 0.882 18210 12851 1 17 . 1 1 108 108 LYS CB C 108 36.215 36.215 36.327 -0.112 18210 12852 1 17 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.356 0.189 18210 12853 1 17 . 1 1 109 109 PHE C C 109 172.950 172.950 172.550 0.400 18210 12854 1 17 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.546 -0.126 18210 12855 1 17 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.249 -0.358 18210 12856 1 17 . 1 1 110 110 PHE N N 110 115.390 115.390 114.780 0.610 18210 12857 1 17 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.250 0.782 18210 12858 1 17 . 1 1 110 110 PHE C C 110 173.892 173.892 173.630 0.262 18210 12859 1 17 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.426 0.806 18210 12860 1 17 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.895 2.471 18210 12861 1 17 . 1 1 110 110 PHE H H 110 9.267 9.267 7.768 1.499 18210 12862 1 17 . 1 1 111 111 CYS N N 111 116.463 116.463 117.873 -1.410 18210 12863 1 17 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.878 0.183 18210 12864 1 17 . 1 1 111 111 CYS C C 111 171.900 171.900 173.091 -1.191 18210 12865 1 17 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.566 -3.714 18210 12866 1 17 . 1 1 111 111 CYS CB C 111 47.830 47.830 30.845 16.985 18210 12867 1 17 . 1 1 111 111 CYS H H 111 9.274 9.274 8.777 0.497 18210 12868 1 17 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.155 0.047 18210 12869 1 17 . 1 1 112 112 VAL C C 112 175.041 175.041 174.407 0.634 18210 12870 1 17 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.310 0.133 18210 12871 1 17 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.375 0.202 18210 12872 1 17 . 1 1 112 112 VAL H H 112 9.605 9.605 8.434 1.171 18210 12873 1 17 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.618 0.142 18210 12874 1 17 . 1 1 113 113 CYS C C 113 173.601 173.601 173.767 -0.166 18210 12875 1 17 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.318 -4.497 18210 12876 1 17 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.232 14.714 18210 12877 1 17 . 1 1 114 114 SER N N 114 117.968 117.968 118.115 -0.147 18210 12878 1 17 . 1 1 114 114 SER HA H 114 5.093 5.093 5.042 0.051 18210 12879 1 17 . 1 1 114 114 SER C C 114 172.267 172.267 172.738 -0.471 18210 12880 1 17 . 1 1 114 114 SER CA C 114 56.677 56.677 57.679 -1.002 18210 12881 1 17 . 1 1 114 114 SER CB C 114 66.795 66.795 65.668 1.127 18210 12882 1 17 . 1 1 114 114 SER H H 114 9.250 9.250 9.274 -0.024 18210 12883 1 17 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.436 -0.330 18210 12884 1 17 . 1 1 115 115 LYS C C 115 174.527 174.527 174.345 0.182 18210 12885 1 17 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.521 0.401 18210 12886 1 17 . 1 1 115 115 LYS CB C 115 34.009 34.009 35.977 -1.968 18210 12887 1 17 . 1 1 115 115 LYS H H 115 8.705 8.705 8.420 0.285 18210 12888 1 17 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.522 -0.331 18210 12889 1 17 . 1 1 116 116 ASP C C 116 176.002 176.002 176.715 -0.713 18210 12890 1 17 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.320 0.994 18210 12891 1 17 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.991 -0.544 18210 12892 1 17 . 1 1 117 117 ASN N N 117 116.913 116.913 119.005 -2.092 18210 12893 1 17 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.194 0.245 18210 12894 1 17 . 1 1 117 117 ASN C C 117 174.246 174.246 173.542 0.704 18210 12895 1 17 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.572 -0.139 18210 12896 1 17 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.050 0.132 18210 12897 1 17 . 1 1 117 117 ASN H H 117 8.752 8.752 8.603 0.149 18210 12898 1 17 . 1 1 118 118 GLU N N 118 116.615 116.615 117.446 -0.831 18210 12899 1 17 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.465 0.295 18210 12900 1 17 . 1 1 118 118 GLU C C 118 177.397 177.397 175.229 2.168 18210 12901 1 17 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.466 -1.157 18210 12902 1 17 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.367 -2.276 18210 12903 1 17 . 1 1 118 118 GLU H H 118 7.819 7.819 8.205 -0.386 18210 12904 1 17 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.252 -0.087 18210 12905 1 17 . 1 1 119 119 LYS C C 119 177.626 177.626 176.877 0.749 18210 12906 1 17 . 1 1 119 119 LYS CA C 119 57.540 57.540 56.637 0.903 18210 12907 1 17 . 1 1 119 119 LYS CB C 119 32.845 32.845 33.044 -0.199 18210 12908 1 17 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.536 -0.231 18210 12909 1 17 . 1 1 120 120 LYS C C 120 174.312 174.312 175.880 -1.568 18210 12910 1 17 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.813 1.293 18210 12911 1 17 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.874 -0.686 18210 12912 1 17 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.319 0.240 18210 12913 1 17 . 1 1 121 121 LEU C C 121 174.893 174.893 175.107 -0.214 18210 12914 1 17 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.584 -0.980 18210 12915 1 17 . 1 1 121 121 LEU CB C 121 39.606 39.606 43.278 -3.672 18210 12916 1 17 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.623 -0.262 18210 12917 1 17 . 1 1 122 122 VAL C C 122 173.909 173.909 174.322 -0.413 18210 12918 1 17 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.196 0.832 18210 12919 1 17 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.896 -0.302 18210 12920 1 17 . 1 1 123 123 PHE HA H 123 5.175 5.175 5.135 0.040 18210 12921 1 17 . 1 1 123 123 PHE C C 123 173.230 173.230 173.280 -0.050 18210 12922 1 17 . 1 1 123 123 PHE CA C 123 56.314 56.314 55.625 0.689 18210 12923 1 17 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.270 -0.438 18210 12924 1 17 . 1 1 124 124 THR N N 124 121.688 121.688 123.470 -1.782 18210 12925 1 17 . 1 1 124 124 THR HA H 124 4.885 4.885 4.762 0.123 18210 12926 1 17 . 1 1 124 124 THR C C 124 170.874 170.874 172.204 -1.330 18210 12927 1 17 . 1 1 124 124 THR CA C 124 60.087 60.087 59.783 0.304 18210 12928 1 17 . 1 1 124 124 THR CB C 124 70.942 70.942 71.268 -0.326 18210 12929 1 17 . 1 1 124 124 THR H H 124 8.493 8.493 7.970 0.523 18210 12930 1 17 . 1 1 125 125 VAL N N 125 125.781 125.781 120.834 4.947 18210 12931 1 17 . 1 1 125 125 VAL HA H 125 4.516 4.516 4.990 -0.474 18210 12932 1 17 . 1 1 125 125 VAL C C 125 173.796 173.796 172.807 0.989 18210 12933 1 17 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.589 1.203 18210 12934 1 17 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.430 -2.196 18210 12935 1 17 . 1 1 125 125 VAL H H 125 8.275 8.275 7.904 0.371 18210 12936 1 17 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.790 0.099 18210 12937 1 17 . 1 1 126 126 GLU C C 126 173.519 173.519 174.204 -0.685 18210 12938 1 17 . 1 1 126 126 GLU CA C 126 53.966 53.966 53.881 0.085 18210 12939 1 17 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.965 -1.002 18210 12940 1 17 . 1 1 126 126 GLU H H 126 8.262 8.262 7.904 0.357 18210 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 76 3.275 0.325 3.280 18210 2 1 1 "Average Difference" HA 129 0.304 -0.006 0.305 18210 3 1 1 "Average Difference" C 121 0.976 0.206 0.958 18210 4 1 1 "Average Difference" CA 125 1.198 0.099 1.199 18210 5 1 1 "Average Difference" CB 121 4.029 -0.868 3.950 18210 6 1 1 "Average Difference" HN 83 0.566 -0.056 0.567 18210 7 1 2 "Average Difference" N 76 3.213 0.500 3.195 18210 8 1 2 "Average Difference" HA 129 0.310 -0.013 0.310 18210 9 1 2 "Average Difference" C 121 1.029 0.173 1.018 18210 10 1 2 "Average Difference" CA 125 1.210 0.042 1.214 18210 11 1 2 "Average Difference" CB 121 4.083 -0.823 4.016 18210 12 1 2 "Average Difference" HN 83 0.546 -0.036 0.548 18210 13 1 3 "Average Difference" N 76 3.209 0.402 3.205 18210 14 1 3 "Average Difference" HA 129 0.306 -0.014 0.307 18210 15 1 3 "Average Difference" C 121 1.041 0.258 1.012 18210 16 1 3 "Average Difference" CA 125 1.290 0.118 1.290 18210 17 1 3 "Average Difference" CB 121 4.045 -0.928 3.954 18210 18 1 3 "Average Difference" HN 83 0.546 -0.074 0.544 18210 19 1 18 "Average Difference" N 76 3.148 0.312 3.154 18210 20 1 18 "Average Difference" HA 129 0.324 -0.007 0.325 18210 21 1 18 "Average Difference" C 121 0.957 0.139 0.951 18210 22 1 18 "Average Difference" CA 125 1.212 0.084 1.214 18210 23 1 18 "Average Difference" CB 121 4.056 -0.830 3.987 18210 24 1 18 "Average Difference" HN 83 0.527 -0.050 0.528 18210 25 1 19 "Average Difference" N 76 3.240 0.523 3.219 18210 26 1 19 "Average Difference" HA 129 0.313 -0.020 0.314 18210 27 1 19 "Average Difference" C 121 1.017 0.283 0.981 18210 28 1 19 "Average Difference" CA 125 1.236 0.123 1.235 18210 29 1 19 "Average Difference" CB 121 4.031 -0.873 3.951 18210 30 1 19 "Average Difference" HN 83 0.553 -0.072 0.552 18210 31 1 20 "Average Difference" N 76 3.430 0.477 3.420 18210 32 1 20 "Average Difference" HA 129 0.313 -0.002 0.314 18210 33 1 20 "Average Difference" C 121 0.976 0.167 0.965 18210 34 1 20 "Average Difference" CA 125 1.228 0.009 1.233 18210 35 1 20 "Average Difference" CB 121 4.044 -0.809 3.979 18210 36 1 20 "Average Difference" HN 83 0.543 -0.063 0.542 18210 37 1 4 "Average Difference" N 76 3.212 0.405 3.208 18210 38 1 4 "Average Difference" HA 129 0.317 0.003 0.318 18210 39 1 4 "Average Difference" C 121 1.004 0.163 0.995 18210 40 1 4 "Average Difference" CA 125 1.187 0.074 1.189 18210 41 1 4 "Average Difference" CB 121 4.017 -0.792 3.954 18210 42 1 4 "Average Difference" HN 83 0.552 -0.061 0.552 18210 43 1 5 "Average Difference" N 76 3.293 0.458 3.283 18210 44 1 5 "Average Difference" HA 129 0.314 -0.011 0.315 18210 45 1 5 "Average Difference" C 121 0.978 0.157 0.969 18210 46 1 5 "Average Difference" CA 125 1.190 0.075 1.193 18210 47 1 5 "Average Difference" CB 121 4.051 -0.816 3.984 18210 48 1 5 "Average Difference" HN 83 0.524 -0.063 0.523 18210 49 1 6 "Average Difference" N 76 3.168 0.411 3.162 18210 50 1 6 "Average Difference" HA 129 0.319 -0.024 0.319 18210 51 1 6 "Average Difference" C 121 1.008 0.170 0.998 18210 52 1 6 "Average Difference" CA 125 1.194 0.073 1.196 18210 53 1 6 "Average Difference" CB 121 4.071 -0.853 3.998 18210 54 1 6 "Average Difference" HN 83 0.582 -0.080 0.580 18210 55 1 7 "Average Difference" N 76 3.354 0.350 3.357 18210 56 1 7 "Average Difference" HA 129 0.316 0.002 0.317 18210 57 1 7 "Average Difference" C 121 1.027 0.164 1.018 18210 58 1 7 "Average Difference" CA 125 1.199 0.034 1.203 18210 59 1 7 "Average Difference" CB 121 4.068 -0.860 3.993 18210 60 1 7 "Average Difference" HN 83 0.570 -0.037 0.572 18210 61 1 8 "Average Difference" N 76 3.331 0.529 3.310 18210 62 1 8 "Average Difference" HA 129 0.321 -0.019 0.322 18210 63 1 8 "Average Difference" C 121 0.976 0.123 0.972 18210 64 1 8 "Average Difference" CA 125 1.189 0.074 1.191 18210 65 1 8 "Average Difference" CB 121 4.021 -0.880 3.940 18210 66 1 8 "Average Difference" HN 83 0.567 -0.068 0.567 18210 67 1 9 "Average Difference" N 76 3.228 0.309 3.235 18210 68 1 9 "Average Difference" HA 129 0.317 -0.002 0.318 18210 69 1 9 "Average Difference" C 121 0.998 0.116 0.996 18210 70 1 9 "Average Difference" CA 125 1.191 0.042 1.195 18210 71 1 9 "Average Difference" CB 121 4.096 -0.758 4.042 18210 72 1 9 "Average Difference" HN 83 0.521 -0.052 0.521 18210 73 1 10 "Average Difference" N 76 3.177 0.313 3.182 18210 74 1 10 "Average Difference" HA 129 0.304 -0.009 0.305 18210 75 1 10 "Average Difference" C 121 1.014 0.242 0.989 18210 76 1 10 "Average Difference" CA 125 1.188 0.054 1.192 18210 77 1 10 "Average Difference" CB 121 4.076 -0.926 3.986 18210 78 1 10 "Average Difference" HN 83 0.558 -0.047 0.560 18210 79 1 11 "Average Difference" N 76 3.369 0.572 3.342 18210 80 1 11 "Average Difference" HA 129 0.324 -0.006 0.325 18210 81 1 11 "Average Difference" C 121 1.006 0.118 1.003 18210 82 1 11 "Average Difference" CA 125 1.192 0.088 1.194 18210 83 1 11 "Average Difference" CB 121 4.043 -0.780 3.984 18210 84 1 11 "Average Difference" HN 83 0.541 -0.046 0.543 18210 85 1 12 "Average Difference" N 76 3.118 0.430 3.108 18210 86 1 12 "Average Difference" HA 129 0.321 -0.002 0.322 18210 87 1 12 "Average Difference" C 121 1.023 0.199 1.008 18210 88 1 12 "Average Difference" CA 125 1.164 0.075 1.166 18210 89 1 12 "Average Difference" CB 121 4.101 -0.873 4.023 18210 90 1 12 "Average Difference" HN 83 0.566 -0.064 0.565 18210 91 1 13 "Average Difference" N 76 3.301 0.356 3.303 18210 92 1 13 "Average Difference" HA 129 0.312 -0.006 0.313 18210 93 1 13 "Average Difference" C 121 1.065 0.214 1.047 18210 94 1 13 "Average Difference" CA 125 1.177 0.037 1.181 18210 95 1 13 "Average Difference" CB 121 4.054 -0.864 3.978 18210 96 1 13 "Average Difference" HN 83 0.583 -0.077 0.581 18210 97 1 14 "Average Difference" N 76 3.262 0.633 3.222 18210 98 1 14 "Average Difference" HA 129 0.315 0.010 0.316 18210 99 1 14 "Average Difference" C 121 1.005 0.167 0.995 18210 100 1 14 "Average Difference" CA 125 1.212 -0.005 1.217 18210 101 1 14 "Average Difference" CB 121 4.052 -0.792 3.991 18210 102 1 14 "Average Difference" HN 83 0.536 -0.030 0.538 18210 103 1 15 "Average Difference" N 76 3.383 0.262 3.395 18210 104 1 15 "Average Difference" HA 129 0.314 0.003 0.315 18210 105 1 15 "Average Difference" C 121 0.995 0.134 0.990 18210 106 1 15 "Average Difference" CA 125 1.142 0.043 1.146 18210 107 1 15 "Average Difference" CB 121 4.116 -0.801 4.054 18210 108 1 15 "Average Difference" HN 83 0.552 -0.056 0.552 18210 109 1 16 "Average Difference" N 76 3.247 0.446 3.238 18210 110 1 16 "Average Difference" HA 129 0.310 -0.006 0.311 18210 111 1 16 "Average Difference" C 121 0.968 0.178 0.955 18210 112 1 16 "Average Difference" CA 125 1.181 0.044 1.185 18210 113 1 16 "Average Difference" CB 121 4.075 -0.837 4.004 18210 114 1 16 "Average Difference" HN 83 0.561 -0.068 0.560 18210 115 1 17 "Average Difference" N 76 3.320 0.553 3.295 18210 116 1 17 "Average Difference" HA 129 0.311 -0.001 0.312 18210 117 1 17 "Average Difference" C 121 1.011 0.143 1.005 18210 118 1 17 "Average Difference" CA 125 1.198 -0.008 1.203 18210 119 1 17 "Average Difference" CB 121 4.053 -0.834 3.982 18210 120 1 17 "Average Difference" HN 83 0.549 -0.073 0.547 18210 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 18210 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 LYS HA H 2 4.169 4.169 4.387 -0.218 18210 2 1 . 1 1 2 2 LYS C C 2 176.160 176.160 175.880 0.280 18210 3 1 . 1 1 2 2 LYS CA C 2 55.965 55.965 55.759 0.206 18210 4 1 . 1 1 2 2 LYS CB C 2 33.265 33.265 33.679 -0.414 18210 5 1 . 1 1 3 3 VAL HA H 3 3.913 3.913 4.164 -0.251 18210 6 1 . 1 1 3 3 VAL C C 3 175.820 175.820 175.596 0.224 18210 7 1 . 1 1 3 3 VAL CA C 3 62.488 62.488 61.611 0.877 18210 8 1 . 1 1 3 3 VAL CB C 3 32.780 32.780 32.805 -0.026 18210 9 1 . 1 1 4 4 LYS N N 4 129.029 129.029 127.671 1.358 18210 10 1 . 1 1 4 4 LYS HA H 4 4.507 4.507 4.529 -0.022 18210 11 1 . 1 1 4 4 LYS C C 4 174.923 174.923 176.137 -1.214 18210 12 1 . 1 1 4 4 LYS CA C 4 57.303 57.303 56.439 0.864 18210 13 1 . 1 1 4 4 LYS CB C 4 32.251 32.251 32.253 -0.002 18210 14 1 . 1 1 4 4 LYS H H 4 8.507 8.507 8.373 0.134 18210 15 1 . 1 1 5 5 GLY N N 5 110.242 110.242 109.895 0.347 18210 16 1 . 1 1 5 5 GLY C C 5 173.333 173.333 171.840 1.493 18210 17 1 . 1 1 5 5 GLY CA C 5 46.264 46.264 45.460 0.804 18210 18 1 . 1 1 5 5 GLY H H 5 8.138 8.138 8.168 -0.030 18210 19 1 . 1 1 6 6 CYS N N 6 114.306 114.306 120.228 -5.922 18210 20 1 . 1 1 6 6 CYS HA H 6 5.251 5.251 5.056 0.195 18210 21 1 . 1 1 6 6 CYS C C 6 170.891 170.891 173.017 -2.126 18210 22 1 . 1 1 6 6 CYS CA C 6 54.850 54.850 57.445 -2.595 18210 23 1 . 1 1 6 6 CYS CB C 6 51.150 51.150 29.404 21.746 18210 24 1 . 1 1 6 6 CYS H H 6 6.750 6.750 8.272 -1.522 18210 25 1 . 1 1 7 7 ASP HA H 7 4.748 4.748 4.998 -0.250 18210 26 1 . 1 1 7 7 ASP C C 7 175.607 175.607 175.583 0.024 18210 27 1 . 1 1 7 7 ASP CA C 7 52.238 52.238 52.418 -0.180 18210 28 1 . 1 1 7 7 ASP CB C 7 41.617 41.617 42.046 -0.429 18210 29 1 . 1 1 8 8 PHE HA H 8 4.877 4.877 4.562 0.315 18210 30 1 . 1 1 8 8 PHE C C 8 173.972 173.972 175.806 -1.834 18210 31 1 . 1 1 8 8 PHE CA C 8 59.455 59.455 58.724 0.731 18210 32 1 . 1 1 8 8 PHE CB C 8 39.219 39.219 38.941 0.278 18210 33 1 . 1 1 9 9 THR N N 9 105.421 105.421 112.645 -7.224 18210 34 1 . 1 1 9 9 THR HA H 9 4.611 4.611 4.473 0.138 18210 35 1 . 1 1 9 9 THR C C 9 174.505 174.505 174.572 -0.067 18210 36 1 . 1 1 9 9 THR CA C 9 61.988 61.988 63.136 -1.148 18210 37 1 . 1 1 9 9 THR CB C 9 70.385 70.385 70.264 0.121 18210 38 1 . 1 1 9 9 THR H H 9 8.996 8.996 8.462 0.534 18210 39 1 . 1 1 10 10 THR N N 10 118.757 118.757 116.139 2.618 18210 40 1 . 1 1 10 10 THR HA H 10 4.526 4.526 4.614 -0.088 18210 41 1 . 1 1 10 10 THR C C 10 171.202 171.202 173.975 -2.773 18210 42 1 . 1 1 10 10 THR CA C 10 60.774 60.774 61.418 -0.644 18210 43 1 . 1 1 10 10 THR CB C 10 68.040 68.040 71.908 -3.868 18210 44 1 . 1 1 10 10 THR H H 10 7.199 7.199 7.549 -0.350 18210 45 1 . 1 1 11 11 SER N N 11 117.117 117.117 118.804 -1.687 18210 46 1 . 1 1 11 11 SER HA H 11 3.907 3.907 4.269 -0.362 18210 47 1 . 1 1 11 11 SER C C 11 174.988 174.988 174.756 0.232 18210 48 1 . 1 1 11 11 SER CA C 11 59.563 59.563 60.682 -1.119 18210 49 1 . 1 1 11 11 SER CB C 11 63.599 63.599 63.518 0.081 18210 50 1 . 1 1 11 11 SER H H 11 7.997 7.997 8.724 -0.727 18210 51 1 . 1 1 12 12 GLU N N 12 125.013 125.013 120.181 4.832 18210 52 1 . 1 1 12 12 GLU HA H 12 4.565 4.565 4.470 0.095 18210 53 1 . 1 1 12 12 GLU C C 12 175.108 175.108 175.252 -0.144 18210 54 1 . 1 1 12 12 GLU CA C 12 54.259 54.259 55.092 -0.833 18210 55 1 . 1 1 12 12 GLU CB C 12 28.928 28.928 28.974 -0.045 18210 56 1 . 1 1 12 12 GLU H H 12 8.375 8.375 8.247 0.128 18210 57 1 . 1 1 13 13 SER N N 13 114.959 114.959 117.490 -2.531 18210 58 1 . 1 1 13 13 SER HA H 13 4.130 4.130 4.505 -0.375 18210 59 1 . 1 1 13 13 SER C C 13 176.833 176.833 174.923 1.910 18210 60 1 . 1 1 13 13 SER CA C 13 58.707 58.707 58.681 0.026 18210 61 1 . 1 1 13 13 SER CB C 13 63.598 63.598 64.310 -0.712 18210 62 1 . 1 1 13 13 SER H H 13 7.879 7.879 8.188 -0.309 18210 63 1 . 1 1 14 14 THR N N 14 117.688 117.688 116.888 0.800 18210 64 1 . 1 1 14 14 THR HA H 14 4.348 4.348 4.402 -0.054 18210 65 1 . 1 1 14 14 THR C C 14 174.550 174.550 175.082 -0.532 18210 66 1 . 1 1 14 14 THR CA C 14 62.435 62.435 62.925 -0.490 18210 67 1 . 1 1 14 14 THR CB C 14 69.114 69.114 68.799 0.315 18210 68 1 . 1 1 14 14 THR H H 14 8.978 8.978 8.783 0.195 18210 69 1 . 1 1 15 15 ILE N N 15 118.851 118.851 113.292 5.559 18210 70 1 . 1 1 15 15 ILE HA H 15 4.038 4.038 4.285 -0.247 18210 71 1 . 1 1 15 15 ILE C C 15 175.389 175.389 173.683 1.706 18210 72 1 . 1 1 15 15 ILE CA C 15 62.700 62.700 60.890 1.810 18210 73 1 . 1 1 15 15 ILE CB C 15 41.447 41.447 39.129 2.318 18210 74 1 . 1 1 15 15 ILE H H 15 7.947 7.947 7.680 0.267 18210 75 1 . 1 1 16 16 PHE N N 16 116.409 116.409 119.341 -2.932 18210 76 1 . 1 1 16 16 PHE HA H 16 5.518 5.518 5.523 -0.005 18210 77 1 . 1 1 16 16 PHE C C 16 176.700 176.700 176.162 0.538 18210 78 1 . 1 1 16 16 PHE CA C 16 57.462 57.462 56.414 1.048 18210 79 1 . 1 1 16 16 PHE CB C 16 42.712 42.712 41.836 0.876 18210 80 1 . 1 1 16 16 PHE H H 16 7.792 7.792 7.568 0.224 18210 81 1 . 1 1 17 17 SER N N 17 114.126 114.126 116.770 -2.644 18210 82 1 . 1 1 17 17 SER HA H 17 3.984 3.984 4.356 -0.372 18210 83 1 . 1 1 17 17 SER C C 17 174.203 174.203 174.700 -0.498 18210 84 1 . 1 1 17 17 SER CA C 17 61.176 61.176 60.641 0.535 18210 85 1 . 1 1 17 17 SER CB C 17 63.438 63.438 63.796 -0.358 18210 86 1 . 1 1 17 17 SER H H 17 8.666 8.666 8.691 -0.025 18210 87 1 . 1 1 18 18 LYS N N 18 122.828 122.828 120.614 2.214 18210 88 1 . 1 1 18 18 LYS HA H 18 4.758 4.758 4.520 0.238 18210 89 1 . 1 1 18 18 LYS C C 18 174.029 174.029 174.897 -0.868 18210 90 1 . 1 1 18 18 LYS CA C 18 55.661 55.661 55.135 0.526 18210 91 1 . 1 1 18 18 LYS CB C 18 35.049 35.049 35.217 -0.168 18210 92 1 . 1 1 18 18 LYS H H 18 8.031 8.031 7.426 0.605 18210 93 1 . 1 1 19 19 GLY N N 19 112.051 112.051 109.418 2.633 18210 94 1 . 1 1 19 19 GLY C C 19 172.307 172.307 172.574 -0.267 18210 95 1 . 1 1 19 19 GLY CA C 19 44.946 44.946 45.034 -0.088 18210 96 1 . 1 1 19 19 GLY H H 19 8.092 8.092 8.009 0.083 18210 97 1 . 1 1 20 20 TYR N N 20 120.060 120.060 119.365 0.695 18210 98 1 . 1 1 20 20 TYR HA H 20 4.570 4.570 4.709 -0.139 18210 99 1 . 1 1 20 20 TYR C C 20 173.557 173.557 174.538 -0.981 18210 100 1 . 1 1 20 20 TYR CA C 20 57.512 57.512 57.132 0.380 18210 101 1 . 1 1 20 20 TYR CB C 20 43.091 43.091 42.725 0.366 18210 102 1 . 1 1 20 20 TYR H H 20 7.968 7.968 8.785 -0.817 18210 103 1 . 1 1 21 21 SER N N 21 115.201 115.201 115.564 -0.364 18210 104 1 . 1 1 21 21 SER HA H 21 4.562 4.562 4.753 -0.191 18210 105 1 . 1 1 21 21 SER C C 21 176.172 176.172 176.230 -0.058 18210 106 1 . 1 1 21 21 SER CA C 21 56.537 56.537 55.820 0.717 18210 107 1 . 1 1 21 21 SER CB C 21 65.257 65.257 64.831 0.426 18210 108 1 . 1 1 21 21 SER H H 21 8.761 8.761 8.502 0.259 18210 109 1 . 1 1 22 22 ILE N N 22 122.867 122.867 121.470 1.397 18210 110 1 . 1 1 22 22 ILE HA H 22 4.159 4.159 3.877 0.282 18210 111 1 . 1 1 22 22 ILE C C 22 177.561 177.561 176.814 0.747 18210 112 1 . 1 1 22 22 ILE CA C 22 62.713 62.713 63.754 -1.041 18210 113 1 . 1 1 22 22 ILE CB C 22 37.855 37.855 37.778 0.077 18210 114 1 . 1 1 22 22 ILE H H 22 8.646 8.646 8.681 -0.035 18210 115 1 . 1 1 23 23 ASN HA H 23 4.545 4.545 4.511 0.034 18210 116 1 . 1 1 23 23 ASN C C 23 176.647 176.647 177.413 -0.766 18210 117 1 . 1 1 23 23 ASN CA C 23 55.506 55.506 55.941 -0.435 18210 118 1 . 1 1 23 23 ASN CB C 23 38.453 38.453 38.270 0.183 18210 119 1 . 1 1 24 24 GLU N N 24 118.601 118.601 118.991 -0.390 18210 120 1 . 1 1 24 24 GLU HA H 24 4.286 4.286 4.114 0.172 18210 121 1 . 1 1 24 24 GLU C C 24 177.998 177.998 178.478 -0.480 18210 122 1 . 1 1 24 24 GLU CA C 24 58.306 58.306 59.170 -0.864 18210 123 1 . 1 1 24 24 GLU CB C 24 30.658 30.658 29.575 1.083 18210 124 1 . 1 1 24 24 GLU H H 24 7.837 7.837 7.920 -0.083 18210 125 1 . 1 1 25 25 ILE HA H 25 4.173 4.173 4.030 0.143 18210 126 1 . 1 1 25 25 ILE C C 25 176.641 176.641 176.897 -0.256 18210 127 1 . 1 1 25 25 ILE CA C 25 62.612 62.612 63.175 -0.563 18210 128 1 . 1 1 25 25 ILE CB C 25 38.360 38.360 38.057 0.303 18210 129 1 . 1 1 26 26 SER N N 26 116.293 116.293 116.253 0.040 18210 130 1 . 1 1 26 26 SER HA H 26 4.663 4.663 4.366 0.297 18210 131 1 . 1 1 26 26 SER C C 26 174.462 174.462 175.094 -0.632 18210 132 1 . 1 1 26 26 SER CA C 26 58.392 58.392 59.659 -1.267 18210 133 1 . 1 1 26 26 SER CB C 26 64.380 64.380 64.051 0.329 18210 134 1 . 1 1 26 26 SER H H 26 7.813 7.813 7.993 -0.180 18210 135 1 . 1 1 27 27 ASN N N 27 121.919 121.919 121.406 0.513 18210 136 1 . 1 1 27 27 ASN HA H 27 4.721 4.721 4.647 0.074 18210 137 1 . 1 1 27 27 ASN C C 27 175.869 175.869 175.390 0.479 18210 138 1 . 1 1 27 27 ASN CA C 27 54.010 54.010 53.460 0.550 18210 139 1 . 1 1 27 27 ASN CB C 27 38.640 38.640 38.121 0.519 18210 140 1 . 1 1 27 27 ASN H H 27 8.521 8.521 8.341 0.180 18210 141 1 . 1 1 28 28 LYS N N 28 121.697 121.697 122.765 -1.068 18210 142 1 . 1 1 28 28 LYS HA H 28 4.360 4.360 4.218 0.142 18210 143 1 . 1 1 28 28 LYS C C 28 176.952 176.952 176.313 0.639 18210 144 1 . 1 1 28 28 LYS CA C 28 56.967 56.967 57.217 -0.250 18210 145 1 . 1 1 28 28 LYS CB C 28 32.730 32.730 31.748 0.982 18210 146 1 . 1 1 28 28 LYS H H 28 8.367 8.367 8.454 -0.087 18210 147 1 . 1 1 29 29 SER HA H 29 4.498 4.498 4.492 0.006 18210 148 1 . 1 1 29 29 SER C C 29 174.741 174.741 174.537 0.204 18210 149 1 . 1 1 29 29 SER CA C 29 58.557 58.557 58.703 -0.146 18210 150 1 . 1 1 29 29 SER CB C 29 63.945 63.945 63.759 0.186 18210 151 1 . 1 1 30 30 SER N N 30 116.470 116.470 118.636 -2.166 18210 152 1 . 1 1 30 30 SER HA H 30 4.429 4.429 4.426 0.003 18210 153 1 . 1 1 30 30 SER C C 30 174.467 174.467 175.090 -0.623 18210 154 1 . 1 1 30 30 SER CA C 30 58.616 58.616 59.090 -0.474 18210 155 1 . 1 1 30 30 SER CB C 30 63.834 63.834 63.832 0.002 18210 156 1 . 1 1 30 30 SER H H 30 8.140 8.140 8.402 -0.262 18210 157 1 . 1 1 31 31 ASN N N 31 119.457 119.457 119.807 -0.350 18210 158 1 . 1 1 31 31 ASN HA H 31 4.697 4.697 4.645 0.052 18210 159 1 . 1 1 31 31 ASN C C 31 174.930 174.930 175.059 -0.129 18210 160 1 . 1 1 31 31 ASN CA C 31 53.583 53.583 54.010 -0.427 18210 161 1 . 1 1 31 31 ASN CB C 31 38.733 38.733 38.515 0.218 18210 162 1 . 1 1 31 31 ASN H H 31 8.354 8.354 8.556 -0.202 18210 163 1 . 1 1 32 32 ASN N N 32 118.038 118.038 118.055 -0.017 18210 164 1 . 1 1 32 32 ASN HA H 32 4.698 4.698 4.719 -0.021 18210 165 1 . 1 1 32 32 ASN C C 32 174.979 174.979 174.837 0.142 18210 166 1 . 1 1 32 32 ASN CA C 32 53.580 53.580 53.313 0.267 18210 167 1 . 1 1 32 32 ASN CB C 32 38.810 38.810 38.617 0.193 18210 168 1 . 1 1 32 32 ASN H H 32 8.218 8.218 8.097 0.121 18210 169 1 . 1 1 33 33 GLN N N 33 119.603 119.603 119.730 -0.127 18210 170 1 . 1 1 33 33 GLN HA H 33 4.353 4.353 4.287 0.066 18210 171 1 . 1 1 33 33 GLN C C 33 175.735 175.735 176.051 -0.316 18210 172 1 . 1 1 33 33 GLN CA C 33 55.883 55.883 56.754 -0.871 18210 173 1 . 1 1 33 33 GLN CB C 33 29.131 29.131 28.877 0.254 18210 174 1 . 1 1 33 33 GLN H H 33 8.337 8.337 8.380 -0.043 18210 175 1 . 1 1 34 34 GLN HA H 34 4.278 4.278 4.289 -0.011 18210 176 1 . 1 1 34 34 GLN C C 34 175.170 175.170 174.579 0.591 18210 177 1 . 1 1 34 34 GLN CA C 34 56.102 56.102 56.050 0.052 18210 178 1 . 1 1 34 34 GLN CB C 34 29.870 29.870 29.300 0.571 18210 179 1 . 1 1 34 34 GLN H H 34 8.087 8.087 8.259 -0.172 18210 180 1 . 1 1 35 35 ASP HA H 35 4.720 4.720 5.033 -0.313 18210 181 1 . 1 1 35 35 ASP C C 35 175.810 175.810 175.196 0.614 18210 182 1 . 1 1 35 35 ASP CA C 35 54.292 54.292 53.410 0.882 18210 183 1 . 1 1 35 35 ASP CB C 35 41.462 41.462 42.523 -1.061 18210 184 1 . 1 1 35 35 ASP H H 35 8.033 8.033 7.913 0.120 18210 185 1 . 1 1 36 36 ILE N N 36 122.378 122.378 125.111 -2.733 18210 186 1 . 1 1 36 36 ILE HA H 36 4.064 4.064 4.243 -0.179 18210 187 1 . 1 1 36 36 ILE C C 36 173.823 173.823 174.540 -0.717 18210 188 1 . 1 1 36 36 ILE CA C 36 60.506 60.506 59.288 1.218 18210 189 1 . 1 1 36 36 ILE CB C 36 37.712 37.712 37.934 -0.222 18210 190 1 . 1 1 36 36 ILE H H 36 8.421 8.421 8.308 0.113 18210 191 1 . 1 1 37 37 VAL HA H 37 4.507 4.507 4.800 -0.293 18210 192 1 . 1 1 37 37 VAL C C 37 174.956 174.956 175.649 -0.693 18210 193 1 . 1 1 37 37 VAL CA C 37 61.535 61.535 60.778 0.757 18210 194 1 . 1 1 37 37 VAL CB C 37 32.932 32.932 34.189 -1.257 18210 195 1 . 1 1 38 38 CYS HA H 38 4.781 4.781 4.719 0.062 18210 196 1 . 1 1 38 38 CYS C C 38 172.106 172.106 174.475 -2.369 18210 197 1 . 1 1 38 38 CYS CA C 38 55.218 55.218 58.232 -3.014 18210 198 1 . 1 1 38 38 CYS CB C 38 49.957 49.957 26.481 23.476 18210 199 1 . 1 1 39 39 THR N N 39 123.385 123.385 123.185 0.200 18210 200 1 . 1 1 39 39 THR HA H 39 4.998 4.998 4.913 0.085 18210 201 1 . 1 1 39 39 THR C C 39 174.687 174.687 173.959 0.728 18210 202 1 . 1 1 39 39 THR CA C 39 61.514 61.514 62.431 -0.917 18210 203 1 . 1 1 39 39 THR CB C 39 69.880 69.880 69.384 0.496 18210 204 1 . 1 1 39 39 THR H H 39 8.229 8.229 8.567 -0.338 18210 205 1 . 1 1 40 40 VAL N N 40 125.782 125.782 122.218 3.564 18210 206 1 . 1 1 40 40 VAL HA H 40 4.280 4.280 4.611 -0.331 18210 207 1 . 1 1 40 40 VAL C C 40 173.622 173.622 173.915 -0.293 18210 208 1 . 1 1 40 40 VAL CA C 40 60.407 60.407 59.596 0.811 18210 209 1 . 1 1 40 40 VAL CB C 40 34.800 34.800 35.196 -0.396 18210 210 1 . 1 1 40 40 VAL H H 40 8.892 8.892 8.018 0.874 18210 211 1 . 1 1 41 41 LYS HA H 41 4.905 4.905 4.679 0.226 18210 212 1 . 1 1 41 41 LYS C C 41 175.624 175.624 175.918 -0.294 18210 213 1 . 1 1 41 41 LYS CA C 41 54.247 54.247 55.310 -1.063 18210 214 1 . 1 1 41 41 LYS CB C 41 31.902 31.902 33.388 -1.486 18210 215 1 . 1 1 42 42 ALA HA H 42 4.307 4.307 4.602 -0.295 18210 216 1 . 1 1 42 42 ALA C C 42 175.028 175.028 175.362 -0.334 18210 217 1 . 1 1 42 42 ALA CA C 42 51.544 51.544 51.111 0.433 18210 218 1 . 1 1 42 42 ALA CB C 42 22.233 22.233 21.316 0.917 18210 219 1 . 1 1 43 43 HIS HA H 43 4.779 4.779 4.782 -0.003 18210 220 1 . 1 1 43 43 HIS C C 43 172.767 172.767 175.001 -2.234 18210 221 1 . 1 1 43 43 HIS CA C 43 53.601 53.601 55.545 -1.944 18210 222 1 . 1 1 43 43 HIS CB C 43 31.299 31.299 33.693 -2.393 18210 223 1 . 1 1 43 43 HIS H H 43 8.722 8.722 8.606 0.116 18210 224 1 . 1 1 44 44 ALA HA H 44 4.040 4.040 4.120 -0.080 18210 225 1 . 1 1 44 44 ALA C C 44 178.087 178.087 177.962 0.125 18210 226 1 . 1 1 44 44 ALA CA C 44 53.862 53.862 54.404 -0.543 18210 227 1 . 1 1 44 44 ALA CB C 44 19.024 19.024 19.026 -0.002 18210 228 1 . 1 1 44 44 ALA H H 44 8.468 8.468 8.149 0.319 18210 229 1 . 1 1 45 45 ASN N N 45 113.483 113.483 113.905 -0.422 18210 230 1 . 1 1 45 45 ASN HA H 45 4.342 4.342 4.824 -0.482 18210 231 1 . 1 1 45 45 ASN C C 45 174.441 174.441 174.818 -0.377 18210 232 1 . 1 1 45 45 ASN CA C 45 55.328 55.328 53.351 1.977 18210 233 1 . 1 1 45 45 ASN CB C 45 38.679 38.679 39.709 -1.030 18210 234 1 . 1 1 45 45 ASN H H 45 7.356 7.356 8.353 -0.997 18210 235 1 . 1 1 46 46 ASP N N 46 120.941 120.941 120.676 0.265 18210 236 1 . 1 1 46 46 ASP HA H 46 4.591 4.591 4.777 -0.186 18210 237 1 . 1 1 46 46 ASP C C 46 175.724 175.724 175.906 -0.182 18210 238 1 . 1 1 46 46 ASP CA C 46 56.169 56.169 54.574 1.595 18210 239 1 . 1 1 46 46 ASP CB C 46 41.519 41.519 41.412 0.107 18210 240 1 . 1 1 46 46 ASP H H 46 7.959 7.959 8.149 -0.190 18210 241 1 . 1 1 47 47 LEU N N 47 123.735 123.735 121.649 2.086 18210 242 1 . 1 1 47 47 LEU HA H 47 4.976 4.976 4.436 0.540 18210 243 1 . 1 1 47 47 LEU C C 47 175.735 175.735 176.869 -1.134 18210 244 1 . 1 1 47 47 LEU CA C 47 54.691 54.691 54.888 -0.197 18210 245 1 . 1 1 47 47 LEU CB C 47 43.566 43.566 42.765 0.801 18210 246 1 . 1 1 47 47 LEU H H 47 8.156 8.156 8.539 -0.383 18210 247 1 . 1 1 48 48 ILE HA H 48 6.271 6.271 5.646 0.624 18210 248 1 . 1 1 48 48 ILE C C 48 175.979 175.979 175.375 0.604 18210 249 1 . 1 1 48 48 ILE CA C 48 58.953 58.953 58.976 -0.023 18210 250 1 . 1 1 48 48 ILE CB C 48 44.138 44.138 41.265 2.873 18210 251 1 . 1 1 49 49 GLY N N 49 102.726 102.726 111.093 -8.367 18210 252 1 . 1 1 49 49 GLY C C 49 169.506 169.506 171.792 -2.286 18210 253 1 . 1 1 49 49 GLY CA C 49 48.190 48.190 45.996 2.194 18210 254 1 . 1 1 49 49 GLY H H 49 7.900 7.900 8.487 -0.587 18210 255 1 . 1 1 50 50 PHE N N 50 111.884 111.884 113.643 -1.759 18210 256 1 . 1 1 50 50 PHE HA H 50 3.913 3.913 3.722 0.191 18210 257 1 . 1 1 50 50 PHE C C 50 171.823 171.823 171.921 -0.098 18210 258 1 . 1 1 50 50 PHE CA C 50 55.727 55.727 56.472 -0.745 18210 259 1 . 1 1 50 50 PHE CB C 50 41.029 41.029 40.480 0.549 18210 260 1 . 1 1 50 50 PHE H H 50 8.248 8.248 7.838 0.410 18210 261 1 . 1 1 51 51 LYS N N 51 117.924 117.924 119.151 -1.227 18210 262 1 . 1 1 51 51 LYS HA H 51 5.384 5.384 5.238 0.146 18210 263 1 . 1 1 51 51 LYS C C 51 176.140 176.140 174.498 1.642 18210 264 1 . 1 1 51 51 LYS CA C 51 54.421 54.421 54.969 -0.548 18210 265 1 . 1 1 51 51 LYS CB C 51 37.920 37.920 37.239 0.681 18210 266 1 . 1 1 51 51 LYS H H 51 7.857 7.857 7.868 -0.011 18210 267 1 . 1 1 52 52 CYS HA H 52 5.021 5.021 5.130 -0.109 18210 268 1 . 1 1 52 52 CYS CA C 52 52.191 52.191 56.747 -4.556 18210 269 1 . 1 1 52 52 CYS CB C 52 41.187 41.187 29.977 11.210 18210 270 1 . 1 1 53 53 PRO HA H 53 4.377 4.377 4.408 -0.031 18210 271 1 . 1 1 53 53 PRO C C 53 177.624 177.624 177.214 0.410 18210 272 1 . 1 1 53 53 PRO CA C 53 62.570 62.570 63.135 -0.565 18210 273 1 . 1 1 53 53 PRO CB C 53 31.256 31.256 32.386 -1.130 18210 274 1 . 1 1 54 54 SER HA H 54 4.106 4.106 4.245 -0.139 18210 275 1 . 1 1 54 54 SER C C 54 174.271 174.271 174.761 -0.489 18210 276 1 . 1 1 54 54 SER CA C 54 61.221 61.221 60.245 0.976 18210 277 1 . 1 1 54 54 SER CB C 54 63.243 63.243 63.149 0.094 18210 278 1 . 1 1 55 55 ASN N N 55 115.116 115.116 117.058 -1.942 18210 279 1 . 1 1 55 55 ASN HA H 55 4.673 4.673 4.816 -0.143 18210 280 1 . 1 1 55 55 ASN C C 55 174.556 174.556 174.475 0.082 18210 281 1 . 1 1 55 55 ASN CA C 55 53.864 53.864 53.570 0.294 18210 282 1 . 1 1 55 55 ASN CB C 55 36.924 36.924 38.820 -1.896 18210 283 1 . 1 1 55 55 ASN H H 55 8.712 8.712 8.356 0.356 18210 284 1 . 1 1 56 56 TYR N N 56 120.489 120.489 119.135 1.354 18210 285 1 . 1 1 56 56 TYR HA H 56 4.692 4.692 4.609 0.083 18210 286 1 . 1 1 56 56 TYR C C 56 176.019 176.019 175.076 0.943 18210 287 1 . 1 1 56 56 TYR CA C 56 57.469 57.469 57.985 -0.516 18210 288 1 . 1 1 56 56 TYR CB C 56 38.698 38.698 41.019 -2.321 18210 289 1 . 1 1 56 56 TYR H H 56 7.637 7.637 7.704 -0.067 18210 290 1 . 1 1 57 57 SER N N 57 117.381 117.381 115.718 1.663 18210 291 1 . 1 1 57 57 SER HA H 57 4.915 4.915 4.812 0.103 18210 292 1 . 1 1 57 57 SER C C 57 173.649 173.649 173.717 -0.068 18210 293 1 . 1 1 57 57 SER CA C 57 57.586 57.586 56.866 0.720 18210 294 1 . 1 1 57 57 SER CB C 57 64.766 64.766 64.474 0.292 18210 295 1 . 1 1 57 57 SER H H 57 9.323 9.323 8.364 0.959 18210 296 1 . 1 1 58 58 VAL N N 58 125.696 125.696 122.266 3.430 18210 297 1 . 1 1 58 58 VAL HA H 58 4.812 4.812 4.484 0.328 18210 298 1 . 1 1 58 58 VAL C C 58 174.911 174.911 175.254 -0.343 18210 299 1 . 1 1 58 58 VAL CA C 58 61.889 61.889 61.270 0.619 18210 300 1 . 1 1 58 58 VAL CB C 58 33.185 33.185 32.496 0.689 18210 301 1 . 1 1 58 58 VAL H H 58 8.474 8.474 8.759 -0.285 18210 302 1 . 1 1 59 59 GLU HA H 59 4.660 4.660 4.929 -0.269 18210 303 1 . 1 1 59 59 GLU CA C 59 52.599 52.599 52.864 -0.265 18210 304 1 . 1 1 59 59 GLU CB C 59 32.910 32.910 32.968 -0.058 18210 305 1 . 1 1 60 60 PRO HA H 60 4.700 4.700 4.650 0.050 18210 306 1 . 1 1 60 60 PRO C C 60 176.708 176.708 176.440 0.268 18210 307 1 . 1 1 60 60 PRO CA C 60 62.731 62.731 63.083 -0.352 18210 308 1 . 1 1 60 60 PRO CB C 60 34.006 34.006 32.412 1.594 18210 309 1 . 1 1 61 61 HIS HA H 61 4.363 4.363 4.608 -0.245 18210 310 1 . 1 1 61 61 HIS C C 61 174.320 174.320 174.704 -0.384 18210 311 1 . 1 1 61 61 HIS CA C 61 58.473 58.473 57.828 0.645 18210 312 1 . 1 1 61 61 HIS CB C 61 28.515 28.515 31.070 -2.554 18210 313 1 . 1 1 62 62 ASP HA H 62 5.043 5.043 4.693 0.350 18210 314 1 . 1 1 62 62 ASP CA C 62 51.338 51.338 53.184 -1.846 18210 315 1 . 1 1 62 62 ASP CB C 62 38.510 38.510 39.466 -0.956 18210 316 1 . 1 1 63 63 CYS N N 63 120.346 120.346 118.007 2.339 18210 317 1 . 1 1 63 63 CYS HA H 63 4.223 4.223 4.697 -0.474 18210 318 1 . 1 1 63 63 CYS C C 63 171.976 171.976 175.446 -3.470 18210 319 1 . 1 1 63 63 CYS CA C 63 59.504 59.504 60.205 -0.701 18210 320 1 . 1 1 63 63 CYS CB C 63 41.081 41.081 27.956 13.125 18210 321 1 . 1 1 63 63 CYS H H 63 6.446 6.446 8.229 -1.783 18210 322 1 . 1 1 64 64 PHE N N 64 116.155 116.155 117.336 -1.181 18210 323 1 . 1 1 64 64 PHE HA H 64 4.220 4.220 4.460 -0.240 18210 324 1 . 1 1 64 64 PHE C C 64 177.110 177.110 177.033 0.077 18210 325 1 . 1 1 64 64 PHE CA C 64 59.591 59.591 59.373 0.218 18210 326 1 . 1 1 64 64 PHE CB C 64 41.149 41.149 37.930 3.219 18210 327 1 . 1 1 64 64 PHE H H 64 7.697 7.697 7.579 0.118 18210 328 1 . 1 1 65 65 VAL N N 65 119.794 119.794 119.842 -0.048 18210 329 1 . 1 1 65 65 VAL HA H 65 3.965 3.965 3.738 0.227 18210 330 1 . 1 1 65 65 VAL C C 65 176.948 176.948 175.935 1.013 18210 331 1 . 1 1 65 65 VAL CA C 65 66.963 66.963 65.959 1.004 18210 332 1 . 1 1 65 65 VAL CB C 65 31.084 31.084 31.854 -0.770 18210 333 1 . 1 1 65 65 VAL H H 65 8.449 8.449 7.211 1.238 18210 334 1 . 1 1 66 66 SER N N 66 113.648 113.648 111.014 2.634 18210 335 1 . 1 1 66 66 SER HA H 66 5.041 5.041 4.573 0.468 18210 336 1 . 1 1 66 66 SER C C 66 173.905 173.905 172.498 1.408 18210 337 1 . 1 1 66 66 SER CA C 66 56.701 56.701 57.144 -0.443 18210 338 1 . 1 1 66 66 SER CB C 66 65.738 65.738 63.919 1.819 18210 339 1 . 1 1 66 66 SER H H 66 7.706 7.706 7.584 0.122 18210 340 1 . 1 1 67 67 ALA N N 67 115.370 115.370 126.942 -11.572 18210 341 1 . 1 1 67 67 ALA HA H 67 4.044 4.044 4.286 -0.242 18210 342 1 . 1 1 67 67 ALA C C 67 175.316 175.316 174.518 0.798 18210 343 1 . 1 1 67 67 ALA CA C 67 52.122 52.122 51.667 0.455 18210 344 1 . 1 1 67 67 ALA CB C 67 23.827 23.827 20.699 3.128 18210 345 1 . 1 1 67 67 ALA H H 67 9.280 9.280 7.805 1.475 18210 346 1 . 1 1 68 68 PHE N N 68 116.820 116.820 117.335 -0.516 18210 347 1 . 1 1 68 68 PHE HA H 68 4.999 4.999 5.181 -0.182 18210 348 1 . 1 1 68 68 PHE C C 68 176.533 176.533 176.488 0.045 18210 349 1 . 1 1 68 68 PHE CA C 68 57.538 57.538 56.927 0.611 18210 350 1 . 1 1 68 68 PHE CB C 68 38.964 38.964 39.701 -0.737 18210 351 1 . 1 1 68 68 PHE H H 68 8.520 8.520 8.544 -0.024 18210 352 1 . 1 1 69 69 ASN N N 69 118.203 118.203 120.681 -2.478 18210 353 1 . 1 1 69 69 ASN HA H 69 5.042 5.042 4.877 0.165 18210 354 1 . 1 1 69 69 ASN C C 69 176.820 176.820 177.406 -0.586 18210 355 1 . 1 1 69 69 ASN CA C 69 51.036 51.036 52.384 -1.348 18210 356 1 . 1 1 69 69 ASN CB C 69 39.494 39.494 39.381 0.113 18210 357 1 . 1 1 69 69 ASN H H 69 8.498 8.498 8.777 -0.279 18210 358 1 . 1 1 70 70 LEU N N 70 118.189 118.189 120.653 -2.464 18210 359 1 . 1 1 70 70 LEU HA H 70 4.279 4.279 4.381 -0.102 18210 360 1 . 1 1 70 70 LEU C C 70 178.484 178.484 177.882 0.602 18210 361 1 . 1 1 70 70 LEU CA C 70 57.764 57.764 57.810 -0.046 18210 362 1 . 1 1 70 70 LEU CB C 70 41.638 41.638 41.671 -0.033 18210 363 1 . 1 1 70 70 LEU H H 70 8.514 8.514 8.869 -0.355 18210 364 1 . 1 1 71 71 SER N N 71 113.939 113.939 112.876 1.063 18210 365 1 . 1 1 71 71 SER HA H 71 4.572 4.572 4.475 0.097 18210 366 1 . 1 1 71 71 SER C C 71 174.682 174.682 175.425 -0.743 18210 367 1 . 1 1 71 71 SER CA C 71 58.758 58.758 58.509 0.249 18210 368 1 . 1 1 71 71 SER CB C 71 63.762 63.762 63.374 0.388 18210 369 1 . 1 1 71 71 SER H H 71 8.049 8.049 7.958 0.091 18210 370 1 . 1 1 72 72 GLY N N 72 109.936 109.936 109.284 0.653 18210 371 1 . 1 1 72 72 GLY C C 72 173.549 173.549 173.690 -0.141 18210 372 1 . 1 1 72 72 GLY CA C 72 45.638 45.638 45.553 0.085 18210 373 1 . 1 1 72 72 GLY H H 72 8.641 8.641 8.038 0.603 18210 374 1 . 1 1 73 73 LYS N N 73 119.884 119.884 119.565 0.319 18210 375 1 . 1 1 73 73 LYS HA H 73 4.553 4.553 4.523 0.030 18210 376 1 . 1 1 73 73 LYS C C 73 175.750 175.750 175.465 0.285 18210 377 1 . 1 1 73 73 LYS CA C 73 54.658 54.658 54.642 0.016 18210 378 1 . 1 1 73 73 LYS CB C 73 33.741 33.741 33.816 -0.075 18210 379 1 . 1 1 73 73 LYS H H 73 7.738 7.738 7.755 -0.017 18210 380 1 . 1 1 74 74 ASN HA H 74 4.520 4.520 4.773 -0.253 18210 381 1 . 1 1 74 74 ASN C C 74 174.680 174.680 174.891 -0.211 18210 382 1 . 1 1 74 74 ASN CA C 74 54.232 54.232 53.332 0.900 18210 383 1 . 1 1 74 74 ASN CB C 74 39.327 39.327 38.706 0.621 18210 384 1 . 1 1 75 75 GLU N N 75 124.834 124.834 125.993 -1.159 18210 385 1 . 1 1 75 75 GLU HA H 75 4.598 4.598 4.465 0.133 18210 386 1 . 1 1 75 75 GLU C C 75 174.547 174.547 174.934 -0.387 18210 387 1 . 1 1 75 75 GLU CA C 75 54.887 54.887 55.045 -0.158 18210 388 1 . 1 1 75 75 GLU CB C 75 32.908 32.908 33.541 -0.633 18210 389 1 . 1 1 75 75 GLU H H 75 8.835 8.835 8.399 0.436 18210 390 1 . 1 1 76 76 ASN N N 76 121.549 121.549 121.029 0.520 18210 391 1 . 1 1 76 76 ASN HA H 76 4.675 4.675 4.858 -0.183 18210 392 1 . 1 1 76 76 ASN C C 76 175.670 175.670 175.692 -0.022 18210 393 1 . 1 1 76 76 ASN CA C 76 54.120 54.120 53.644 0.476 18210 394 1 . 1 1 76 76 ASN CB C 76 39.042 39.042 38.984 0.058 18210 395 1 . 1 1 76 76 ASN H H 76 8.580 8.580 8.670 -0.090 18210 396 1 . 1 1 77 77 LEU N N 77 125.808 125.808 123.864 1.944 18210 397 1 . 1 1 77 77 LEU HA H 77 4.107 4.107 4.547 -0.440 18210 398 1 . 1 1 77 77 LEU C C 77 178.104 178.104 177.184 0.920 18210 399 1 . 1 1 77 77 LEU CA C 77 55.991 55.991 54.305 1.686 18210 400 1 . 1 1 77 77 LEU CB C 77 42.384 42.384 42.561 -0.177 18210 401 1 . 1 1 77 77 LEU H H 77 8.610 8.610 8.334 0.276 18210 402 1 . 1 1 78 78 GLU HA H 78 4.016 4.016 4.193 -0.177 18210 403 1 . 1 1 78 78 GLU C C 78 176.833 176.833 177.460 -0.627 18210 404 1 . 1 1 78 78 GLU CA C 78 59.650 59.650 58.848 0.802 18210 405 1 . 1 1 78 78 GLU CB C 78 29.684 29.684 28.696 0.988 18210 406 1 . 1 1 79 79 ASN N N 79 114.719 114.719 116.651 -1.932 18210 407 1 . 1 1 79 79 ASN HA H 79 4.564 4.564 4.453 0.111 18210 408 1 . 1 1 79 79 ASN C C 79 175.510 175.510 176.323 -0.813 18210 409 1 . 1 1 79 79 ASN CA C 79 54.392 54.392 55.089 -0.697 18210 410 1 . 1 1 79 79 ASN CB C 79 38.718 38.718 37.815 0.903 18210 411 1 . 1 1 79 79 ASN H H 79 8.257 8.257 8.434 -0.177 18210 412 1 . 1 1 80 80 LYS N N 80 118.906 118.906 119.638 -0.732 18210 413 1 . 1 1 80 80 LYS HA H 80 4.293 4.293 4.187 0.106 18210 414 1 . 1 1 80 80 LYS C C 80 175.748 175.748 176.565 -0.817 18210 415 1 . 1 1 80 80 LYS CA C 80 57.765 57.765 57.252 0.514 18210 416 1 . 1 1 80 80 LYS CB C 80 34.345 34.345 33.292 1.053 18210 417 1 . 1 1 80 80 LYS H H 80 7.818 7.818 7.646 0.172 18210 418 1 . 1 1 81 81 LEU HA H 81 4.150 4.150 4.352 -0.202 18210 419 1 . 1 1 81 81 LEU C C 81 174.688 174.688 174.826 -0.138 18210 420 1 . 1 1 81 81 LEU CA C 81 54.522 54.522 53.887 0.635 18210 421 1 . 1 1 81 81 LEU CB C 81 43.063 43.063 44.264 -1.201 18210 422 1 . 1 1 82 82 LYS HA H 82 4.169 4.169 4.243 -0.074 18210 423 1 . 1 1 82 82 LYS C C 82 175.701 175.701 175.738 -0.037 18210 424 1 . 1 1 82 82 LYS CA C 82 56.168 56.168 55.864 0.304 18210 425 1 . 1 1 82 82 LYS CB C 82 30.017 30.017 30.960 -0.943 18210 426 1 . 1 1 83 83 LEU N N 83 120.762 120.762 125.184 -4.422 18210 427 1 . 1 1 83 83 LEU HA H 83 4.420 4.420 4.348 0.072 18210 428 1 . 1 1 83 83 LEU C C 83 177.184 177.184 177.571 -0.387 18210 429 1 . 1 1 83 83 LEU CA C 83 55.219 55.219 54.752 0.467 18210 430 1 . 1 1 83 83 LEU CB C 83 42.311 42.311 42.804 -0.493 18210 431 1 . 1 1 83 83 LEU H H 83 7.485 7.485 7.871 -0.386 18210 432 1 . 1 1 84 84 THR N N 84 110.955 110.955 113.942 -2.987 18210 433 1 . 1 1 84 84 THR HA H 84 4.712 4.712 4.544 0.168 18210 434 1 . 1 1 84 84 THR C C 84 173.001 173.001 173.924 -0.923 18210 435 1 . 1 1 84 84 THR CA C 84 59.883 59.883 60.655 -0.772 18210 436 1 . 1 1 84 84 THR CB C 84 71.825 71.825 71.994 -0.169 18210 437 1 . 1 1 84 84 THR H H 84 8.519 8.519 8.356 0.163 18210 438 1 . 1 1 85 85 ASN N N 85 117.589 117.589 117.527 0.062 18210 439 1 . 1 1 85 85 ASN HA H 85 4.146 4.146 4.394 -0.248 18210 440 1 . 1 1 85 85 ASN C C 85 173.572 173.572 174.305 -0.733 18210 441 1 . 1 1 85 85 ASN CA C 85 54.319 54.319 53.921 0.398 18210 442 1 . 1 1 85 85 ASN CB C 85 38.908 38.908 37.099 1.809 18210 443 1 . 1 1 85 85 ASN H H 85 8.850 8.850 8.787 0.063 18210 444 1 . 1 1 86 86 ILE HA H 86 4.292 4.292 4.332 -0.040 18210 445 1 . 1 1 86 86 ILE C C 86 177.346 177.346 176.077 1.270 18210 446 1 . 1 1 86 86 ILE CA C 86 62.807 62.807 61.549 1.258 18210 447 1 . 1 1 86 86 ILE CB C 86 38.699 38.699 38.863 -0.164 18210 448 1 . 1 1 87 87 ILE N N 87 131.807 131.807 129.025 2.782 18210 449 1 . 1 1 87 87 ILE HA H 87 4.255 4.255 4.517 -0.262 18210 450 1 . 1 1 87 87 ILE C C 87 174.493 174.493 174.426 0.067 18210 451 1 . 1 1 87 87 ILE CA C 87 60.152 60.152 60.011 0.141 18210 452 1 . 1 1 87 87 ILE CB C 87 41.110 41.110 39.077 2.033 18210 453 1 . 1 1 87 87 ILE H H 87 9.166 9.166 8.669 0.497 18210 454 1 . 1 1 88 88 MET HA H 88 4.017 4.017 4.588 -0.571 18210 455 1 . 1 1 88 88 MET C C 88 173.613 173.613 174.433 -0.820 18210 456 1 . 1 1 88 88 MET CA C 88 53.287 53.287 54.808 -1.521 18210 457 1 . 1 1 88 88 MET CB C 88 33.478 33.478 34.582 -1.104 18210 458 1 . 1 1 89 89 ASP HA H 89 4.697 4.697 4.880 -0.183 18210 459 1 . 1 1 89 89 ASP C C 89 176.750 176.750 175.846 0.904 18210 460 1 . 1 1 89 89 ASP CA C 89 52.101 52.101 52.666 -0.564 18210 461 1 . 1 1 89 89 ASP CB C 89 40.191 40.191 41.607 -1.416 18210 462 1 . 1 1 90 90 HIS HA H 90 4.441 4.441 4.332 0.109 18210 463 1 . 1 1 90 90 HIS C C 90 175.625 175.625 176.095 -0.470 18210 464 1 . 1 1 90 90 HIS CA C 90 58.254 58.254 58.917 -0.663 18210 465 1 . 1 1 90 90 HIS CB C 90 28.579 28.579 30.259 -1.680 18210 466 1 . 1 1 91 91 TYR HA H 91 4.440 4.440 4.251 0.189 18210 467 1 . 1 1 91 91 TYR C C 91 177.915 177.915 175.777 2.138 18210 468 1 . 1 1 91 91 TYR CA C 91 60.760 60.760 61.070 -0.310 18210 469 1 . 1 1 91 91 TYR CB C 91 38.067 38.067 38.715 -0.648 18210 470 1 . 1 1 92 92 ASN N N 92 113.661 113.661 113.651 0.010 18210 471 1 . 1 1 92 92 ASN HA H 92 4.773 4.773 4.498 0.275 18210 472 1 . 1 1 92 92 ASN C C 92 174.762 174.762 174.647 0.115 18210 473 1 . 1 1 92 92 ASN CA C 92 52.615 52.615 52.816 -0.201 18210 474 1 . 1 1 92 92 ASN CB C 92 39.282 39.282 38.544 0.738 18210 475 1 . 1 1 92 92 ASN H H 92 7.713 7.713 8.226 -0.513 18210 476 1 . 1 1 93 93 ASN N N 93 125.176 125.176 114.608 10.568 18210 477 1 . 1 1 93 93 ASN HA H 93 4.709 4.709 4.312 0.397 18210 478 1 . 1 1 93 93 ASN C C 93 172.729 172.729 173.172 -0.443 18210 479 1 . 1 1 93 93 ASN CA C 93 52.735 52.735 54.473 -1.738 18210 480 1 . 1 1 93 93 ASN CB C 93 37.961 37.961 36.802 1.159 18210 481 1 . 1 1 93 93 ASN H H 93 7.804 7.804 7.854 -0.050 18210 482 1 . 1 1 94 94 THR N N 94 109.900 109.900 111.983 -2.083 18210 483 1 . 1 1 94 94 THR HA H 94 4.852 4.852 4.940 -0.088 18210 484 1 . 1 1 94 94 THR C C 94 170.824 170.824 171.736 -0.912 18210 485 1 . 1 1 94 94 THR CA C 94 61.817 61.817 60.343 1.474 18210 486 1 . 1 1 94 94 THR CB C 94 71.074 71.074 71.086 -0.012 18210 487 1 . 1 1 94 94 THR H H 94 7.654 7.654 7.334 0.320 18210 488 1 . 1 1 95 95 PHE N N 95 126.721 126.721 124.892 1.829 18210 489 1 . 1 1 95 95 PHE HA H 95 5.108 5.108 5.293 -0.185 18210 490 1 . 1 1 95 95 PHE C C 95 174.143 174.143 174.151 -0.008 18210 491 1 . 1 1 95 95 PHE CA C 95 55.569 55.569 55.573 -0.004 18210 492 1 . 1 1 95 95 PHE CB C 95 42.793 42.793 42.651 0.142 18210 493 1 . 1 1 95 95 PHE H H 95 8.166 8.166 7.729 0.437 18210 494 1 . 1 1 96 96 TYR N N 96 115.709 115.709 120.086 -4.377 18210 495 1 . 1 1 96 96 TYR HA H 96 6.067 6.067 5.516 0.551 18210 496 1 . 1 1 96 96 TYR C C 96 175.734 175.734 174.871 0.863 18210 497 1 . 1 1 96 96 TYR CA C 96 56.432 56.432 56.634 -0.203 18210 498 1 . 1 1 96 96 TYR CB C 96 44.167 44.167 42.865 1.302 18210 499 1 . 1 1 96 96 TYR H H 96 9.149 9.149 8.657 0.492 18210 500 1 . 1 1 97 97 SER N N 97 109.503 109.503 114.540 -5.037 18210 501 1 . 1 1 97 97 SER HA H 97 4.430 4.430 5.061 -0.631 18210 502 1 . 1 1 97 97 SER C C 97 170.684 170.684 173.185 -2.501 18210 503 1 . 1 1 97 97 SER CA C 97 59.324 59.324 57.250 2.074 18210 504 1 . 1 1 97 97 SER CB C 97 66.341 66.341 65.950 0.391 18210 505 1 . 1 1 97 97 SER H H 97 8.921 8.921 9.258 -0.337 18210 506 1 . 1 1 98 98 ARG HA H 98 5.394 5.394 4.772 0.622 18210 507 1 . 1 1 98 98 ARG C C 98 175.850 175.850 175.215 0.635 18210 508 1 . 1 1 98 98 ARG CA C 98 54.176 54.176 54.591 -0.415 18210 509 1 . 1 1 98 98 ARG CB C 98 33.127 33.127 32.391 0.736 18210 510 1 . 1 1 99 99 LEU HA H 99 4.330 4.330 4.671 -0.341 18210 511 1 . 1 1 99 99 LEU CA C 99 53.806 53.806 52.554 1.252 18210 512 1 . 1 1 99 99 LEU CB C 99 40.903 40.903 42.131 -1.228 18210 513 1 . 1 1 100 100 PRO HA H 100 4.676 4.676 4.375 0.301 18210 514 1 . 1 1 100 100 PRO C C 100 175.744 175.744 176.732 -0.988 18210 515 1 . 1 1 100 100 PRO CA C 100 62.289 62.289 63.063 -0.774 18210 516 1 . 1 1 100 100 PRO CB C 100 32.786 32.786 32.651 0.135 18210 517 1 . 1 1 101 101 SER HA H 101 4.126 4.126 4.324 -0.198 18210 518 1 . 1 1 101 101 SER C C 101 173.214 173.214 174.168 -0.954 18210 519 1 . 1 1 101 101 SER CA C 101 60.265 60.265 59.895 0.370 18210 520 1 . 1 1 101 101 SER CB C 101 63.660 63.660 63.591 0.069 18210 521 1 . 1 1 102 102 LEU N N 102 121.389 121.389 121.804 -0.415 18210 522 1 . 1 1 102 102 LEU HA H 102 4.532 4.532 4.565 -0.033 18210 523 1 . 1 1 102 102 LEU C C 102 175.187 175.187 175.227 -0.040 18210 524 1 . 1 1 102 102 LEU CA C 102 54.686 54.686 54.691 -0.005 18210 525 1 . 1 1 102 102 LEU CB C 102 44.380 44.380 44.069 0.311 18210 526 1 . 1 1 102 102 LEU H H 102 7.179 7.179 7.430 -0.251 18210 527 1 . 1 1 103 103 ILE HA H 103 4.443 4.443 4.458 -0.015 18210 528 1 . 1 1 103 103 ILE C C 103 175.490 175.490 175.702 -0.212 18210 529 1 . 1 1 103 103 ILE CA C 103 59.909 59.909 61.486 -1.577 18210 530 1 . 1 1 103 103 ILE CB C 103 39.678 39.678 39.448 0.230 18210 531 1 . 1 1 104 104 SER N N 104 120.807 120.807 120.585 0.222 18210 532 1 . 1 1 104 104 SER HA H 104 4.581 4.581 4.633 -0.052 18210 533 1 . 1 1 104 104 SER C C 104 173.234 173.234 173.910 -0.676 18210 534 1 . 1 1 104 104 SER CA C 104 58.166 58.166 57.999 0.167 18210 535 1 . 1 1 104 104 SER CB C 104 64.341 64.341 63.934 0.407 18210 536 1 . 1 1 104 104 SER H H 104 8.471 8.471 8.415 0.056 18210 537 1 . 1 1 105 105 ASP N N 105 119.103 119.103 122.118 -3.015 18210 538 1 . 1 1 105 105 ASP HA H 105 4.649 4.649 4.805 -0.156 18210 539 1 . 1 1 105 105 ASP C C 105 174.991 174.991 175.571 -0.580 18210 540 1 . 1 1 105 105 ASP CA C 105 53.734 53.734 53.952 -0.218 18210 541 1 . 1 1 105 105 ASP CB C 105 42.477 42.477 42.284 0.193 18210 542 1 . 1 1 105 105 ASP H H 105 8.060 8.060 7.986 0.074 18210 543 1 . 1 1 106 106 ASN N N 106 116.036 116.036 118.593 -2.557 18210 544 1 . 1 1 106 106 ASN HA H 106 4.735 4.735 4.851 -0.116 18210 545 1 . 1 1 106 106 ASN C C 106 174.308 174.308 175.320 -1.012 18210 546 1 . 1 1 106 106 ASN CA C 106 53.780 53.780 52.586 1.194 18210 547 1 . 1 1 106 106 ASN CB C 106 39.022 39.022 38.443 0.579 18210 548 1 . 1 1 106 106 ASN H H 106 8.389 8.389 8.487 -0.098 18210 549 1 . 1 1 107 107 TRP N N 107 119.645 119.645 120.832 -1.187 18210 550 1 . 1 1 107 107 TRP HA H 107 4.829 4.829 4.734 0.095 18210 551 1 . 1 1 107 107 TRP C C 107 174.949 174.949 174.995 -0.046 18210 552 1 . 1 1 107 107 TRP CA C 107 56.192 56.192 56.439 -0.247 18210 553 1 . 1 1 107 107 TRP CB C 107 32.213 32.213 29.702 2.511 18210 554 1 . 1 1 107 107 TRP H H 107 7.846 7.846 8.076 -0.230 18210 555 1 . 1 1 108 108 LYS HA H 108 5.462 5.462 4.685 0.777 18210 556 1 . 1 1 108 108 LYS C C 108 174.986 174.986 174.813 0.173 18210 557 1 . 1 1 108 108 LYS CA C 108 56.196 56.196 55.281 0.915 18210 558 1 . 1 1 108 108 LYS CB C 108 36.215 36.215 36.026 0.189 18210 559 1 . 1 1 109 109 PHE HA H 109 5.545 5.545 5.317 0.228 18210 560 1 . 1 1 109 109 PHE C C 109 172.950 172.950 172.542 0.408 18210 561 1 . 1 1 109 109 PHE CA C 109 56.420 56.420 56.455 -0.036 18210 562 1 . 1 1 109 109 PHE CB C 109 41.891 41.891 42.063 -0.172 18210 563 1 . 1 1 110 110 PHE N N 110 115.390 115.390 114.608 0.782 18210 564 1 . 1 1 110 110 PHE HA H 110 6.032 6.032 5.157 0.875 18210 565 1 . 1 1 110 110 PHE C C 110 173.892 173.892 173.607 0.285 18210 566 1 . 1 1 110 110 PHE CA C 110 56.232 56.232 55.484 0.748 18210 567 1 . 1 1 110 110 PHE CB C 110 43.366 43.366 40.893 2.473 18210 568 1 . 1 1 110 110 PHE H H 110 9.267 9.267 7.680 1.587 18210 569 1 . 1 1 111 111 CYS N N 111 116.463 116.463 117.665 -1.202 18210 570 1 . 1 1 111 111 CYS HA H 111 5.061 5.061 4.927 0.134 18210 571 1 . 1 1 111 111 CYS C C 111 171.900 171.900 173.092 -1.192 18210 572 1 . 1 1 111 111 CYS CA C 111 53.852 53.852 57.649 -3.797 18210 573 1 . 1 1 111 111 CYS CB C 111 47.830 47.830 31.142 16.689 18210 574 1 . 1 1 111 111 CYS H H 111 9.274 9.274 8.823 0.451 18210 575 1 . 1 1 112 112 VAL HA H 112 5.202 5.202 5.150 0.052 18210 576 1 . 1 1 112 112 VAL C C 112 175.041 175.041 174.399 0.642 18210 577 1 . 1 1 112 112 VAL CA C 112 60.443 60.443 60.444 -0.001 18210 578 1 . 1 1 112 112 VAL CB C 112 36.577 36.577 36.156 0.421 18210 579 1 . 1 1 112 112 VAL H H 112 9.605 9.605 8.378 1.227 18210 580 1 . 1 1 113 113 CYS HA H 113 5.760 5.760 5.583 0.177 18210 581 1 . 1 1 113 113 CYS C C 113 173.601 173.601 173.814 -0.213 18210 582 1 . 1 1 113 113 CYS CA C 113 52.821 52.821 57.434 -4.613 18210 583 1 . 1 1 113 113 CYS CB C 113 43.946 43.946 29.384 14.562 18210 584 1 . 1 1 114 114 SER N N 114 117.968 117.968 118.387 -0.419 18210 585 1 . 1 1 114 114 SER HA H 114 5.093 5.093 5.038 0.055 18210 586 1 . 1 1 114 114 SER C C 114 172.267 172.267 172.646 -0.379 18210 587 1 . 1 1 114 114 SER CA C 114 56.677 56.677 57.960 -1.283 18210 588 1 . 1 1 114 114 SER CB C 114 66.795 66.795 65.690 1.105 18210 589 1 . 1 1 114 114 SER H H 114 9.250 9.250 9.247 0.003 18210 590 1 . 1 1 115 115 LYS HA H 115 4.106 4.106 4.486 -0.380 18210 591 1 . 1 1 115 115 LYS C C 115 174.527 174.527 174.399 0.128 18210 592 1 . 1 1 115 115 LYS CA C 115 55.922 55.922 55.331 0.591 18210 593 1 . 1 1 115 115 LYS CB C 115 34.009 34.009 36.150 -2.141 18210 594 1 . 1 1 115 115 LYS H H 115 8.705 8.705 8.441 0.264 18210 595 1 . 1 1 116 116 ASP HA H 116 4.191 4.191 4.487 -0.296 18210 596 1 . 1 1 116 116 ASP C C 116 176.002 176.002 176.604 -0.602 18210 597 1 . 1 1 116 116 ASP CA C 116 56.314 56.314 55.137 1.177 18210 598 1 . 1 1 116 116 ASP CB C 116 40.447 40.447 40.986 -0.539 18210 599 1 . 1 1 117 117 ASN N N 117 116.913 116.913 118.801 -1.888 18210 600 1 . 1 1 117 117 ASN HA H 117 4.439 4.439 4.240 0.199 18210 601 1 . 1 1 117 117 ASN C C 117 174.246 174.246 173.639 0.607 18210 602 1 . 1 1 117 117 ASN CA C 117 54.433 54.433 54.383 0.050 18210 603 1 . 1 1 117 117 ASN CB C 117 38.182 38.182 38.117 0.065 18210 604 1 . 1 1 117 117 ASN H H 117 8.752 8.752 8.627 0.125 18210 605 1 . 1 1 118 118 GLU N N 118 116.615 116.615 118.125 -1.510 18210 606 1 . 1 1 118 118 GLU HA H 118 4.760 4.760 4.454 0.306 18210 607 1 . 1 1 118 118 GLU C C 118 177.397 177.397 175.616 1.781 18210 608 1 . 1 1 118 118 GLU CA C 118 54.309 54.309 55.228 -0.919 18210 609 1 . 1 1 118 118 GLU CB C 118 31.091 31.091 33.120 -2.029 18210 610 1 . 1 1 118 118 GLU H H 118 7.819 7.819 8.192 -0.373 18210 611 1 . 1 1 119 119 LYS HA H 119 4.165 4.165 4.166 -0.001 18210 612 1 . 1 1 119 119 LYS C C 119 177.626 177.626 176.646 0.980 18210 613 1 . 1 1 119 119 LYS CA C 119 57.540 57.540 56.911 0.629 18210 614 1 . 1 1 119 119 LYS CB C 119 32.845 32.845 32.708 0.137 18210 615 1 . 1 1 120 120 LYS HA H 120 4.305 4.305 4.452 -0.147 18210 616 1 . 1 1 120 120 LYS C C 120 174.312 174.312 175.548 -1.236 18210 617 1 . 1 1 120 120 LYS CA C 120 57.106 57.106 55.686 1.420 18210 618 1 . 1 1 120 120 LYS CB C 120 33.188 33.188 33.910 -0.722 18210 619 1 . 1 1 121 121 LEU HA H 121 4.559 4.559 4.336 0.223 18210 620 1 . 1 1 121 121 LEU C C 121 174.893 174.893 175.094 -0.201 18210 621 1 . 1 1 121 121 LEU CA C 121 52.604 52.604 53.550 -0.946 18210 622 1 . 1 1 121 121 LEU CB C 121 39.606 39.606 42.930 -3.324 18210 623 1 . 1 1 122 122 VAL HA H 122 4.361 4.361 4.620 -0.259 18210 624 1 . 1 1 122 122 VAL C C 122 173.909 173.909 174.327 -0.418 18210 625 1 . 1 1 122 122 VAL CA C 122 62.028 62.028 61.152 0.876 18210 626 1 . 1 1 122 122 VAL CB C 122 33.594 33.594 33.952 -0.358 18210 627 1 . 1 1 123 123 PHE HA H 123 5.175 5.175 4.957 0.218 18210 628 1 . 1 1 123 123 PHE C C 123 173.230 173.230 173.134 0.096 18210 629 1 . 1 1 123 123 PHE CA C 123 56.314 56.314 55.962 0.352 18210 630 1 . 1 1 123 123 PHE CB C 123 40.832 40.832 41.490 -0.658 18210 631 1 . 1 1 124 124 THR N N 124 121.688 121.688 123.521 -1.833 18210 632 1 . 1 1 124 124 THR HA H 124 4.885 4.885 4.674 0.211 18210 633 1 . 1 1 124 124 THR C C 124 170.874 170.874 172.172 -1.298 18210 634 1 . 1 1 124 124 THR CA C 124 60.087 60.087 59.723 0.364 18210 635 1 . 1 1 124 124 THR CB C 124 70.942 70.942 71.104 -0.162 18210 636 1 . 1 1 124 124 THR H H 124 8.493 8.493 8.092 0.401 18210 637 1 . 1 1 125 125 VAL N N 125 125.781 125.781 120.736 5.045 18210 638 1 . 1 1 125 125 VAL HA H 125 4.516 4.516 5.013 -0.497 18210 639 1 . 1 1 125 125 VAL C C 125 173.796 173.796 172.890 0.906 18210 640 1 . 1 1 125 125 VAL CA C 125 59.792 59.792 58.532 1.260 18210 641 1 . 1 1 125 125 VAL CB C 125 33.234 33.234 35.361 -2.127 18210 642 1 . 1 1 125 125 VAL H H 125 8.275 8.275 7.808 0.467 18210 643 1 . 1 1 126 126 GLU HA H 126 4.889 4.889 4.754 0.135 18210 644 1 . 1 1 126 126 GLU C C 126 173.519 173.519 174.452 -0.933 18210 645 1 . 1 1 126 126 GLU CA C 126 53.966 53.966 54.234 -0.268 18210 646 1 . 1 1 126 126 GLU CB C 126 32.962 32.962 33.845 -0.883 18210 647 1 . 1 1 126 126 GLU H H 126 8.262 8.262 7.888 0.374 18210 stop_ save_