data_17374 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17374 _Entry.Title ; 1H, 13C and 15N resonance assignments for ADF/Cofilin from Trypanosoma brucei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-22 _Entry.Accession_date 2010-12-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kun Dai . . . 17374 2 Guangfa Yuan . . . 17374 3 Shanhui Liao . . . 17374 4 Jiahai Zhang . . . 17374 5 Xiaoming Tu . . . 17374 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17374 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 527 17374 '15N chemical shifts' 130 17374 '1H chemical shifts' 812 17374 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-10-05 2010-12-22 update author 'update chemical shifts based on PDB entry 2LJ8' 17374 1 . . 2011-01-06 2010-12-22 original author 'original release' 17374 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LJ8 'BMRB Entry Tracking System' 17374 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17374 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21523437 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N resonance assignments for a putative ADF/Cofilin from Trypanosoma brucei.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 249 _Citation.Page_last 251 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kun Dai . . . 17374 1 2 Guangfa Yuan . . . 17374 1 3 Shanhui Liao . . . 17374 1 4 Jiahai Zhang . . . 17374 1 5 Xiaoming Tu . . . 17374 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17374 _Assembly.ID 1 _Assembly.Name 'ADF/Cofilin from Trypanosoma brucei' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ADF/Cofilin from Trypanosoma brucei' 1 $ADF_Cofilin A . yes native no no . . . 17374 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ADF_Cofilin _Entity.Sf_category entity _Entity.Sf_framecode ADF_Cofilin _Entity.Entry_ID 17374 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ADF_Cofilin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGHHHHHHMAMSGVSVADEC VTALNDLRHKKSRYVIMHIV DQKSIAVKTIGERGANFDQF IEAIDKNVPCYAAFDFEYTT NDGPRDKLILISWNPDSGAP RTKMLYSSSRDALVPLTQGF QGIQANDASGLDFEEISRKV KSNR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 144 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2LJ8 . "Solution Structure Of AdfCOFILIN FROM TRYPANOSOMA BRUCEI" . . . . . 100.00 144 100.00 100.00 4.21e-103 . . . . 17374 1 2 no EMBL CBH10242 . "cofilin/actin depolymerizing factor, putative [Trypanosoma brucei gambiense DAL972]" . . . . . 94.44 136 100.00 100.00 8.52e-96 . . . . 17374 1 3 no GB AAX81027 . "cofilin/actin depolymerizing factor, putative [Trypanosoma brucei]" . . . . . 94.44 136 100.00 100.00 8.52e-96 . . . . 17374 1 4 no GB AAZ10549 . "cofilin/actin depolymerizing factor, putative [Trypanosoma brucei brucei TREU927]" . . . . . 94.44 136 100.00 100.00 8.52e-96 . . . . 17374 1 5 no REF XP_011772532 . "cofilin/actin depolymerizing factor, putative [Trypanosoma brucei gambiense DAL972]" . . . . . 94.44 136 100.00 100.00 8.52e-96 . . . . 17374 1 6 no REF XP_844108 . "cofilin/actin depolymerizing factor [Trypanosoma brucei brucei TREU927]" . . . . . 94.44 136 100.00 100.00 8.52e-96 . . . . 17374 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17374 1 2 . GLY . 17374 1 3 . HIS . 17374 1 4 . HIS . 17374 1 5 . HIS . 17374 1 6 . HIS . 17374 1 7 . HIS . 17374 1 8 . HIS . 17374 1 9 . MET . 17374 1 10 . ALA . 17374 1 11 . MET . 17374 1 12 . SER . 17374 1 13 . GLY . 17374 1 14 . VAL . 17374 1 15 . SER . 17374 1 16 . VAL . 17374 1 17 . ALA . 17374 1 18 . ASP . 17374 1 19 . GLU . 17374 1 20 . CYS . 17374 1 21 . VAL . 17374 1 22 . THR . 17374 1 23 . ALA . 17374 1 24 . LEU . 17374 1 25 . ASN . 17374 1 26 . ASP . 17374 1 27 . LEU . 17374 1 28 . ARG . 17374 1 29 . HIS . 17374 1 30 . LYS . 17374 1 31 . LYS . 17374 1 32 . SER . 17374 1 33 . ARG . 17374 1 34 . TYR . 17374 1 35 . VAL . 17374 1 36 . ILE . 17374 1 37 . MET . 17374 1 38 . HIS . 17374 1 39 . ILE . 17374 1 40 . VAL . 17374 1 41 . ASP . 17374 1 42 . GLN . 17374 1 43 . LYS . 17374 1 44 . SER . 17374 1 45 . ILE . 17374 1 46 . ALA . 17374 1 47 . VAL . 17374 1 48 . LYS . 17374 1 49 . THR . 17374 1 50 . ILE . 17374 1 51 . GLY . 17374 1 52 . GLU . 17374 1 53 . ARG . 17374 1 54 . GLY . 17374 1 55 . ALA . 17374 1 56 . ASN . 17374 1 57 . PHE . 17374 1 58 . ASP . 17374 1 59 . GLN . 17374 1 60 . PHE . 17374 1 61 . ILE . 17374 1 62 . GLU . 17374 1 63 . ALA . 17374 1 64 . ILE . 17374 1 65 . ASP . 17374 1 66 . LYS . 17374 1 67 . ASN . 17374 1 68 . VAL . 17374 1 69 . PRO . 17374 1 70 . CYS . 17374 1 71 . TYR . 17374 1 72 . ALA . 17374 1 73 . ALA . 17374 1 74 . PHE . 17374 1 75 . ASP . 17374 1 76 . PHE . 17374 1 77 . GLU . 17374 1 78 . TYR . 17374 1 79 . THR . 17374 1 80 . THR . 17374 1 81 . ASN . 17374 1 82 . ASP . 17374 1 83 . GLY . 17374 1 84 . PRO . 17374 1 85 . ARG . 17374 1 86 . ASP . 17374 1 87 . LYS . 17374 1 88 . LEU . 17374 1 89 . ILE . 17374 1 90 . LEU . 17374 1 91 . ILE . 17374 1 92 . SER . 17374 1 93 . TRP . 17374 1 94 . ASN . 17374 1 95 . PRO . 17374 1 96 . ASP . 17374 1 97 . SER . 17374 1 98 . GLY . 17374 1 99 . ALA . 17374 1 100 . PRO . 17374 1 101 . ARG . 17374 1 102 . THR . 17374 1 103 . LYS . 17374 1 104 . MET . 17374 1 105 . LEU . 17374 1 106 . TYR . 17374 1 107 . SER . 17374 1 108 . SER . 17374 1 109 . SER . 17374 1 110 . ARG . 17374 1 111 . ASP . 17374 1 112 . ALA . 17374 1 113 . LEU . 17374 1 114 . VAL . 17374 1 115 . PRO . 17374 1 116 . LEU . 17374 1 117 . THR . 17374 1 118 . GLN . 17374 1 119 . GLY . 17374 1 120 . PHE . 17374 1 121 . GLN . 17374 1 122 . GLY . 17374 1 123 . ILE . 17374 1 124 . GLN . 17374 1 125 . ALA . 17374 1 126 . ASN . 17374 1 127 . ASP . 17374 1 128 . ALA . 17374 1 129 . SER . 17374 1 130 . GLY . 17374 1 131 . LEU . 17374 1 132 . ASP . 17374 1 133 . PHE . 17374 1 134 . GLU . 17374 1 135 . GLU . 17374 1 136 . ILE . 17374 1 137 . SER . 17374 1 138 . ARG . 17374 1 139 . LYS . 17374 1 140 . VAL . 17374 1 141 . LYS . 17374 1 142 . SER . 17374 1 143 . ASN . 17374 1 144 . ARG . 17374 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17374 1 . GLY 2 2 17374 1 . HIS 3 3 17374 1 . HIS 4 4 17374 1 . HIS 5 5 17374 1 . HIS 6 6 17374 1 . HIS 7 7 17374 1 . HIS 8 8 17374 1 . MET 9 9 17374 1 . ALA 10 10 17374 1 . MET 11 11 17374 1 . SER 12 12 17374 1 . GLY 13 13 17374 1 . VAL 14 14 17374 1 . SER 15 15 17374 1 . VAL 16 16 17374 1 . ALA 17 17 17374 1 . ASP 18 18 17374 1 . GLU 19 19 17374 1 . CYS 20 20 17374 1 . VAL 21 21 17374 1 . THR 22 22 17374 1 . ALA 23 23 17374 1 . LEU 24 24 17374 1 . ASN 25 25 17374 1 . ASP 26 26 17374 1 . LEU 27 27 17374 1 . ARG 28 28 17374 1 . HIS 29 29 17374 1 . LYS 30 30 17374 1 . LYS 31 31 17374 1 . SER 32 32 17374 1 . ARG 33 33 17374 1 . TYR 34 34 17374 1 . VAL 35 35 17374 1 . ILE 36 36 17374 1 . MET 37 37 17374 1 . HIS 38 38 17374 1 . ILE 39 39 17374 1 . VAL 40 40 17374 1 . ASP 41 41 17374 1 . GLN 42 42 17374 1 . LYS 43 43 17374 1 . SER 44 44 17374 1 . ILE 45 45 17374 1 . ALA 46 46 17374 1 . VAL 47 47 17374 1 . LYS 48 48 17374 1 . THR 49 49 17374 1 . ILE 50 50 17374 1 . GLY 51 51 17374 1 . GLU 52 52 17374 1 . ARG 53 53 17374 1 . GLY 54 54 17374 1 . ALA 55 55 17374 1 . ASN 56 56 17374 1 . PHE 57 57 17374 1 . ASP 58 58 17374 1 . GLN 59 59 17374 1 . PHE 60 60 17374 1 . ILE 61 61 17374 1 . GLU 62 62 17374 1 . ALA 63 63 17374 1 . ILE 64 64 17374 1 . ASP 65 65 17374 1 . LYS 66 66 17374 1 . ASN 67 67 17374 1 . VAL 68 68 17374 1 . PRO 69 69 17374 1 . CYS 70 70 17374 1 . TYR 71 71 17374 1 . ALA 72 72 17374 1 . ALA 73 73 17374 1 . PHE 74 74 17374 1 . ASP 75 75 17374 1 . PHE 76 76 17374 1 . GLU 77 77 17374 1 . TYR 78 78 17374 1 . THR 79 79 17374 1 . THR 80 80 17374 1 . ASN 81 81 17374 1 . ASP 82 82 17374 1 . GLY 83 83 17374 1 . PRO 84 84 17374 1 . ARG 85 85 17374 1 . ASP 86 86 17374 1 . LYS 87 87 17374 1 . LEU 88 88 17374 1 . ILE 89 89 17374 1 . LEU 90 90 17374 1 . ILE 91 91 17374 1 . SER 92 92 17374 1 . TRP 93 93 17374 1 . ASN 94 94 17374 1 . PRO 95 95 17374 1 . ASP 96 96 17374 1 . SER 97 97 17374 1 . GLY 98 98 17374 1 . ALA 99 99 17374 1 . PRO 100 100 17374 1 . ARG 101 101 17374 1 . THR 102 102 17374 1 . LYS 103 103 17374 1 . MET 104 104 17374 1 . LEU 105 105 17374 1 . TYR 106 106 17374 1 . SER 107 107 17374 1 . SER 108 108 17374 1 . SER 109 109 17374 1 . ARG 110 110 17374 1 . ASP 111 111 17374 1 . ALA 112 112 17374 1 . LEU 113 113 17374 1 . VAL 114 114 17374 1 . PRO 115 115 17374 1 . LEU 116 116 17374 1 . THR 117 117 17374 1 . GLN 118 118 17374 1 . GLY 119 119 17374 1 . PHE 120 120 17374 1 . GLN 121 121 17374 1 . GLY 122 122 17374 1 . ILE 123 123 17374 1 . GLN 124 124 17374 1 . ALA 125 125 17374 1 . ASN 126 126 17374 1 . ASP 127 127 17374 1 . ALA 128 128 17374 1 . SER 129 129 17374 1 . GLY 130 130 17374 1 . LEU 131 131 17374 1 . ASP 132 132 17374 1 . PHE 133 133 17374 1 . GLU 134 134 17374 1 . GLU 135 135 17374 1 . ILE 136 136 17374 1 . SER 137 137 17374 1 . ARG 138 138 17374 1 . LYS 139 139 17374 1 . VAL 140 140 17374 1 . LYS 141 141 17374 1 . SER 142 142 17374 1 . ASN 143 143 17374 1 . ARG 144 144 17374 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17374 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ADF_Cofilin . 5691 organism . 'Trypanosoma brucei' 'Trypanosoma brucei' . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . . . . . . . . . 17374 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17374 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ADF_Cofilin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 17374 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17374 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ADF/Cofilin '[U-99% 13C; U-99% 15N]' . . 1 $ADF_Cofilin . . 0.6 . . mM . . . . 17374 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17374 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17374 1 4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 17374 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17374 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17374 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17374 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 17374 1 pH 6.8 . pH 17374 1 pressure 1 . atm 17374 1 temperature 293 . K 17374 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17374 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17374 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17374 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17374 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17374 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 600 . . . 17374 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17374 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17374 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17374 1 3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17374 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17374 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17374 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17374 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17374 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17374 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17374 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17374 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17374 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17374 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17374 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17374 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17374 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17374 1 2 '3D CBCA(CO)NH' . . . 17374 1 3 '3D C(CO)NH' . . . 17374 1 4 '3D HNCO' . . . 17374 1 5 '3D HN(CO)CA' . . . 17374 1 6 '3D HBHA(CO)NH' . . . 17374 1 7 '3D H(CCO)NH' . . . 17374 1 10 '3D HNCACB' . . . 17374 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 9 9 MET HA H 1 4.407 0.001 . . . . . A 9 MET HA . 17374 1 2 . 1 1 9 9 MET HB2 H 1 1.911 0.001 . . . . . A 9 MET HB2 . 17374 1 3 . 1 1 9 9 MET HB3 H 1 1.996 0.020 . . . . . A 9 MET HB3 . 17374 1 4 . 1 1 9 9 MET HG2 H 1 2.448 0.005 . . . . . A 9 MET HG2 . 17374 1 5 . 1 1 9 9 MET HG3 H 1 2.448 0.005 . . . . . A 9 MET HG3 . 17374 1 6 . 1 1 9 9 MET H H 1 8.356 0.004 . . . . . A 9 MET H1 . 17374 1 7 . 1 1 9 9 MET C C 13 175.551 0.017 . . . . . A 9 MET C . 17374 1 8 . 1 1 9 9 MET CA C 13 54.956 0.177 . . . . . A 9 MET CA . 17374 1 9 . 1 1 9 9 MET CB C 13 32.644 0.028 . . . . . A 9 MET CB . 17374 1 10 . 1 1 9 9 MET CG C 13 30.881 0.000 . . . . . A 9 MET CG . 17374 1 11 . 1 1 9 9 MET N N 15 122.203 0.025 . . . . . A 9 MET N . 17374 1 12 . 1 1 10 10 ALA H H 1 8.417 0.003 . . . . . A 10 ALA H . 17374 1 13 . 1 1 10 10 ALA HA H 1 4.313 0.005 . . . . . A 10 ALA HA . 17374 1 14 . 1 1 10 10 ALA HB1 H 1 1.393 0.004 . . . . . A 10 ALA HB1 . 17374 1 15 . 1 1 10 10 ALA HB2 H 1 1.393 0.004 . . . . . A 10 ALA HB2 . 17374 1 16 . 1 1 10 10 ALA HB3 H 1 1.393 0.004 . . . . . A 10 ALA HB3 . 17374 1 17 . 1 1 10 10 ALA C C 13 177.882 0.007 . . . . . A 10 ALA C . 17374 1 18 . 1 1 10 10 ALA CA C 13 51.931 0.103 . . . . . A 10 ALA CA . 17374 1 19 . 1 1 10 10 ALA CB C 13 18.870 0.184 . . . . . A 10 ALA CB . 17374 1 20 . 1 1 10 10 ALA N N 15 125.474 0.020 . . . . . A 10 ALA N . 17374 1 21 . 1 1 11 11 MET H H 1 8.545 0.004 . . . . . A 11 MET H . 17374 1 22 . 1 1 11 11 MET HA H 1 4.442 0.006 . . . . . A 11 MET HA . 17374 1 23 . 1 1 11 11 MET HB2 H 1 2.055 0.013 . . . . . A 11 MET HB2 . 17374 1 24 . 1 1 11 11 MET HB3 H 1 2.055 0.013 . . . . . A 11 MET HB3 . 17374 1 25 . 1 1 11 11 MET HG2 H 1 2.561 0.001 . . . . . A 11 MET HG2 . 17374 1 26 . 1 1 11 11 MET HG3 H 1 2.561 0.001 . . . . . A 11 MET HG3 . 17374 1 27 . 1 1 11 11 MET C C 13 176.367 0.009 . . . . . A 11 MET C . 17374 1 28 . 1 1 11 11 MET CA C 13 55.414 0.137 . . . . . A 11 MET CA . 17374 1 29 . 1 1 11 11 MET CB C 13 32.056 0.064 . . . . . A 11 MET CB . 17374 1 30 . 1 1 11 11 MET CG C 13 31.261 0.000 . . . . . A 11 MET CG . 17374 1 31 . 1 1 11 11 MET CE C 13 18.992 0.000 . . . . . A 11 MET CE . 17374 1 32 . 1 1 11 11 MET N N 15 120.353 0.055 . . . . . A 11 MET N . 17374 1 33 . 1 1 12 12 SER H H 1 8.249 0.004 . . . . . A 12 SER H . 17374 1 34 . 1 1 12 12 SER HA H 1 4.385 0.002 . . . . . A 12 SER HA . 17374 1 35 . 1 1 12 12 SER HB2 H 1 3.846 0.004 . . . . . A 12 SER HB2 . 17374 1 36 . 1 1 12 12 SER HB3 H 1 3.846 0.004 . . . . . A 12 SER HB3 . 17374 1 37 . 1 1 12 12 SER C C 13 174.969 0.026 . . . . . A 12 SER C . 17374 1 38 . 1 1 12 12 SER CA C 13 58.024 0.051 . . . . . A 12 SER CA . 17374 1 39 . 1 1 12 12 SER CB C 13 63.698 0.018 . . . . . A 12 SER CB . 17374 1 40 . 1 1 12 12 SER N N 15 115.989 0.021 . . . . . A 12 SER N . 17374 1 41 . 1 1 13 13 GLY H H 1 8.370 0.003 . . . . . A 13 GLY H . 17374 1 42 . 1 1 13 13 GLY HA2 H 1 3.960 0.001 . . . . . A 13 GLY HA2 . 17374 1 43 . 1 1 13 13 GLY HA3 H 1 3.960 0.001 . . . . . A 13 GLY HA3 . 17374 1 44 . 1 1 13 13 GLY C C 13 173.593 0.016 . . . . . A 13 GLY C . 17374 1 45 . 1 1 13 13 GLY CA C 13 44.812 0.123 . . . . . A 13 GLY CA . 17374 1 46 . 1 1 13 13 GLY N N 15 110.690 0.060 . . . . . A 13 GLY N . 17374 1 47 . 1 1 14 14 VAL H H 1 7.740 0.003 . . . . . A 14 VAL H . 17374 1 48 . 1 1 14 14 VAL HA H 1 4.343 0.005 . . . . . A 14 VAL HA . 17374 1 49 . 1 1 14 14 VAL HB H 1 1.756 0.007 . . . . . A 14 VAL HB . 17374 1 50 . 1 1 14 14 VAL HG11 H 1 0.692 0.007 . . . . . A 14 VAL HG11 . 17374 1 51 . 1 1 14 14 VAL HG12 H 1 0.692 0.007 . . . . . A 14 VAL HG12 . 17374 1 52 . 1 1 14 14 VAL HG13 H 1 0.692 0.007 . . . . . A 14 VAL HG13 . 17374 1 53 . 1 1 14 14 VAL HG21 H 1 0.692 0.007 . . . . . A 14 VAL HG21 . 17374 1 54 . 1 1 14 14 VAL HG22 H 1 0.692 0.007 . . . . . A 14 VAL HG22 . 17374 1 55 . 1 1 14 14 VAL HG23 H 1 0.692 0.007 . . . . . A 14 VAL HG23 . 17374 1 56 . 1 1 14 14 VAL C C 13 175.086 0.011 . . . . . A 14 VAL C . 17374 1 57 . 1 1 14 14 VAL CA C 13 61.228 0.098 . . . . . A 14 VAL CA . 17374 1 58 . 1 1 14 14 VAL CB C 13 32.663 0.095 . . . . . A 14 VAL CB . 17374 1 59 . 1 1 14 14 VAL CG1 C 13 20.740 0.000 . . . . . A 14 VAL CG1 . 17374 1 60 . 1 1 14 14 VAL N N 15 119.534 0.033 . . . . . A 14 VAL N . 17374 1 61 . 1 1 15 15 SER H H 1 8.119 0.005 . . . . . A 15 SER H . 17374 1 62 . 1 1 15 15 SER HA H 1 4.801 0.009 . . . . . A 15 SER HA . 17374 1 63 . 1 1 15 15 SER HB2 H 1 3.860 0.008 . . . . . A 15 SER HB2 . 17374 1 64 . 1 1 15 15 SER HB3 H 1 3.860 0.008 . . . . . A 15 SER HB3 . 17374 1 65 . 1 1 15 15 SER C C 13 172.823 0.010 . . . . . A 15 SER C . 17374 1 66 . 1 1 15 15 SER CA C 13 55.742 0.158 . . . . . A 15 SER CA . 17374 1 67 . 1 1 15 15 SER CB C 13 65.606 0.033 . . . . . A 15 SER CB . 17374 1 68 . 1 1 15 15 SER N N 15 119.153 0.045 . . . . . A 15 SER N . 17374 1 69 . 1 1 16 16 VAL H H 1 8.781 0.004 . . . . . A 16 VAL H . 17374 1 70 . 1 1 16 16 VAL HA H 1 4.163 0.003 . . . . . A 16 VAL HA . 17374 1 71 . 1 1 16 16 VAL HB H 1 1.890 0.003 . . . . . A 16 VAL HB . 17374 1 72 . 1 1 16 16 VAL HG11 H 1 0.760 0.007 . . . . . A 16 VAL HG11 . 17374 1 73 . 1 1 16 16 VAL HG12 H 1 0.760 0.007 . . . . . A 16 VAL HG12 . 17374 1 74 . 1 1 16 16 VAL HG13 H 1 0.760 0.007 . . . . . A 16 VAL HG13 . 17374 1 75 . 1 1 16 16 VAL HG21 H 1 0.910 0.008 . . . . . A 16 VAL HG21 . 17374 1 76 . 1 1 16 16 VAL HG22 H 1 0.910 0.008 . . . . . A 16 VAL HG22 . 17374 1 77 . 1 1 16 16 VAL HG23 H 1 0.910 0.008 . . . . . A 16 VAL HG23 . 17374 1 78 . 1 1 16 16 VAL C C 13 175.666 0.012 . . . . . A 16 VAL C . 17374 1 79 . 1 1 16 16 VAL CA C 13 62.139 0.080 . . . . . A 16 VAL CA . 17374 1 80 . 1 1 16 16 VAL CB C 13 32.231 0.085 . . . . . A 16 VAL CB . 17374 1 81 . 1 1 16 16 VAL CG1 C 13 21.142 0.000 . . . . . A 16 VAL CG1 . 17374 1 82 . 1 1 16 16 VAL N N 15 121.098 0.061 . . . . . A 16 VAL N . 17374 1 83 . 1 1 17 17 ALA H H 1 9.139 0.003 . . . . . A 17 ALA H . 17374 1 84 . 1 1 17 17 ALA HA H 1 4.386 0.009 . . . . . A 17 ALA HA . 17374 1 85 . 1 1 17 17 ALA HB1 H 1 1.682 0.009 . . . . . A 17 ALA HB1 . 17374 1 86 . 1 1 17 17 ALA HB2 H 1 1.682 0.009 . . . . . A 17 ALA HB2 . 17374 1 87 . 1 1 17 17 ALA HB3 H 1 1.682 0.009 . . . . . A 17 ALA HB3 . 17374 1 88 . 1 1 17 17 ALA C C 13 179.223 0.008 . . . . . A 17 ALA C . 17374 1 89 . 1 1 17 17 ALA CA C 13 52.840 0.137 . . . . . A 17 ALA CA . 17374 1 90 . 1 1 17 17 ALA CB C 13 19.074 0.199 . . . . . A 17 ALA CB . 17374 1 91 . 1 1 17 17 ALA N N 15 132.206 0.019 . . . . . A 17 ALA N . 17374 1 92 . 1 1 18 18 ASP H H 1 9.011 0.003 . . . . . A 18 ASP H . 17374 1 93 . 1 1 18 18 ASP HA H 1 4.361 0.001 . . . . . A 18 ASP HA . 17374 1 94 . 1 1 18 18 ASP HB2 H 1 2.683 0.002 . . . . . A 18 ASP HB2 . 17374 1 95 . 1 1 18 18 ASP HB3 H 1 2.683 0.002 . . . . . A 18 ASP HB3 . 17374 1 96 . 1 1 18 18 ASP C C 13 178.726 0.002 . . . . . A 18 ASP C . 17374 1 97 . 1 1 18 18 ASP CA C 13 57.705 0.171 . . . . . A 18 ASP CA . 17374 1 98 . 1 1 18 18 ASP CB C 13 39.994 0.208 . . . . . A 18 ASP CB . 17374 1 99 . 1 1 18 18 ASP N N 15 123.964 0.064 . . . . . A 18 ASP N . 17374 1 100 . 1 1 19 19 GLU H H 1 9.017 0.004 . . . . . A 19 GLU H . 17374 1 101 . 1 1 19 19 GLU HA H 1 4.295 0.016 . . . . . A 19 GLU HA . 17374 1 102 . 1 1 19 19 GLU HB2 H 1 2.143 0.008 . . . . . A 19 GLU HB2 . 17374 1 103 . 1 1 19 19 GLU HB3 H 1 2.143 0.008 . . . . . A 19 GLU HB3 . 17374 1 104 . 1 1 19 19 GLU HG2 H 1 2.509 0.009 . . . . . A 19 GLU HG2 . 17374 1 105 . 1 1 19 19 GLU HG3 H 1 2.314 0.005 . . . . . A 19 GLU HG3 . 17374 1 106 . 1 1 19 19 GLU C C 13 178.853 0.111 . . . . . A 19 GLU C . 17374 1 107 . 1 1 19 19 GLU CA C 13 58.303 0.110 . . . . . A 19 GLU CA . 17374 1 108 . 1 1 19 19 GLU CB C 13 28.028 0.060 . . . . . A 19 GLU CB . 17374 1 109 . 1 1 19 19 GLU CG C 13 35.212 0.000 . . . . . A 19 GLU CG . 17374 1 110 . 1 1 19 19 GLU N N 15 116.286 0.040 . . . . . A 19 GLU N . 17374 1 111 . 1 1 20 20 CYS H H 1 8.114 0.004 . . . . . A 20 CYS H . 17374 1 112 . 1 1 20 20 CYS HA H 1 3.865 0.012 . . . . . A 20 CYS HA . 17374 1 113 . 1 1 20 20 CYS HB2 H 1 2.839 0.012 . . . . . A 20 CYS HB2 . 17374 1 114 . 1 1 20 20 CYS HB3 H 1 2.839 0.012 . . . . . A 20 CYS HB3 . 17374 1 115 . 1 1 20 20 CYS C C 13 176.236 0.009 . . . . . A 20 CYS C . 17374 1 116 . 1 1 20 20 CYS CA C 13 61.476 0.097 . . . . . A 20 CYS CA . 17374 1 117 . 1 1 20 20 CYS CB C 13 26.622 0.046 . . . . . A 20 CYS CB . 17374 1 118 . 1 1 20 20 CYS N N 15 119.568 0.091 . . . . . A 20 CYS N . 17374 1 119 . 1 1 21 21 VAL H H 1 7.419 0.004 . . . . . A 21 VAL H . 17374 1 120 . 1 1 21 21 VAL HA H 1 3.487 0.009 . . . . . A 21 VAL HA . 17374 1 121 . 1 1 21 21 VAL HB H 1 2.435 0.007 . . . . . A 21 VAL HB . 17374 1 122 . 1 1 21 21 VAL HG11 H 1 0.977 0.018 . . . . . A 21 VAL HG11 . 17374 1 123 . 1 1 21 21 VAL HG12 H 1 0.977 0.018 . . . . . A 21 VAL HG12 . 17374 1 124 . 1 1 21 21 VAL HG13 H 1 0.977 0.018 . . . . . A 21 VAL HG13 . 17374 1 125 . 1 1 21 21 VAL HG21 H 1 1.033 0.004 . . . . . A 21 VAL HG21 . 17374 1 126 . 1 1 21 21 VAL HG22 H 1 1.033 0.004 . . . . . A 21 VAL HG22 . 17374 1 127 . 1 1 21 21 VAL HG23 H 1 1.033 0.004 . . . . . A 21 VAL HG23 . 17374 1 128 . 1 1 21 21 VAL C C 13 179.253 0.007 . . . . . A 21 VAL C . 17374 1 129 . 1 1 21 21 VAL CA C 13 66.265 0.085 . . . . . A 21 VAL CA . 17374 1 130 . 1 1 21 21 VAL CB C 13 30.980 0.099 . . . . . A 21 VAL CB . 17374 1 131 . 1 1 21 21 VAL CG1 C 13 21.056 0.000 . . . . . A 21 VAL CG1 . 17374 1 132 . 1 1 21 21 VAL CG2 C 13 21.351 0.008 . . . . . A 21 VAL CG2 . 17374 1 133 . 1 1 21 21 VAL N N 15 120.470 0.030 . . . . . A 21 VAL N . 17374 1 134 . 1 1 22 22 THR H H 1 7.657 0.005 . . . . . A 22 THR H . 17374 1 135 . 1 1 22 22 THR HA H 1 3.951 0.002 . . . . . A 22 THR HA . 17374 1 136 . 1 1 22 22 THR HB H 1 4.086 0.012 . . . . . A 22 THR HB . 17374 1 137 . 1 1 22 22 THR HG21 H 1 1.219 0.010 . . . . . A 22 THR HG21 . 17374 1 138 . 1 1 22 22 THR HG22 H 1 1.219 0.010 . . . . . A 22 THR HG22 . 17374 1 139 . 1 1 22 22 THR HG23 H 1 1.219 0.010 . . . . . A 22 THR HG23 . 17374 1 140 . 1 1 22 22 THR C C 13 176.304 0.023 . . . . . A 22 THR C . 17374 1 141 . 1 1 22 22 THR CA C 13 65.412 0.124 . . . . . A 22 THR CA . 17374 1 142 . 1 1 22 22 THR CB C 13 68.308 0.055 . . . . . A 22 THR CB . 17374 1 143 . 1 1 22 22 THR CG2 C 13 21.527 0.000 . . . . . A 22 THR CG2 . 17374 1 144 . 1 1 22 22 THR N N 15 114.497 0.068 . . . . . A 22 THR N . 17374 1 145 . 1 1 23 23 ALA H H 1 7.948 0.008 . . . . . A 23 ALA H . 17374 1 146 . 1 1 23 23 ALA HA H 1 4.154 0.016 . . . . . A 23 ALA HA . 17374 1 147 . 1 1 23 23 ALA HB1 H 1 1.534 0.010 . . . . . A 23 ALA HB1 . 17374 1 148 . 1 1 23 23 ALA HB2 H 1 1.534 0.010 . . . . . A 23 ALA HB2 . 17374 1 149 . 1 1 23 23 ALA HB3 H 1 1.534 0.010 . . . . . A 23 ALA HB3 . 17374 1 150 . 1 1 23 23 ALA C C 13 181.348 0.002 . . . . . A 23 ALA C . 17374 1 151 . 1 1 23 23 ALA CA C 13 54.872 0.147 . . . . . A 23 ALA CA . 17374 1 152 . 1 1 23 23 ALA CB C 13 18.108 0.186 . . . . . A 23 ALA CB . 17374 1 153 . 1 1 23 23 ALA N N 15 122.580 0.030 . . . . . A 23 ALA N . 17374 1 154 . 1 1 24 24 LEU H H 1 8.574 0.005 . . . . . A 24 LEU H . 17374 1 155 . 1 1 24 24 LEU HA H 1 4.156 0.000 . . . . . A 24 LEU HA . 17374 1 156 . 1 1 24 24 LEU HB2 H 1 1.416 0.004 . . . . . A 24 LEU HB2 . 17374 1 157 . 1 1 24 24 LEU HB3 H 1 1.416 0.004 . . . . . A 24 LEU HB3 . 17374 1 158 . 1 1 24 24 LEU HG H 1 1.862 0.006 . . . . . A 24 LEU HG . 17374 1 159 . 1 1 24 24 LEU HD11 H 1 0.565 0.000 . . . . . A 24 LEU HD11 . 17374 1 160 . 1 1 24 24 LEU HD12 H 1 0.565 0.000 . . . . . A 24 LEU HD12 . 17374 1 161 . 1 1 24 24 LEU HD13 H 1 0.565 0.000 . . . . . A 24 LEU HD13 . 17374 1 162 . 1 1 24 24 LEU HD21 H 1 0.312 0.007 . . . . . A 24 LEU HD21 . 17374 1 163 . 1 1 24 24 LEU HD22 H 1 0.312 0.007 . . . . . A 24 LEU HD22 . 17374 1 164 . 1 1 24 24 LEU HD23 H 1 0.312 0.007 . . . . . A 24 LEU HD23 . 17374 1 165 . 1 1 24 24 LEU C C 13 178.638 0.000 . . . . . A 24 LEU C . 17374 1 166 . 1 1 24 24 LEU CA C 13 57.854 0.000 . . . . . A 24 LEU CA . 17374 1 167 . 1 1 24 24 LEU CB C 13 40.688 0.189 . . . . . A 24 LEU CB . 17374 1 168 . 1 1 24 24 LEU CG C 13 27.334 0.000 . . . . . A 24 LEU CG . 17374 1 169 . 1 1 24 24 LEU CD1 C 13 24.677 0.000 . . . . . A 24 LEU CD1 . 17374 1 170 . 1 1 24 24 LEU N N 15 119.406 0.075 . . . . . A 24 LEU N . 17374 1 171 . 1 1 25 25 ASN H H 1 8.124 0.006 . . . . . A 25 ASN H . 17374 1 172 . 1 1 25 25 ASN HA H 1 4.484 0.009 . . . . . A 25 ASN HA . 17374 1 173 . 1 1 25 25 ASN HB2 H 1 2.891 0.009 . . . . . A 25 ASN HB2 . 17374 1 174 . 1 1 25 25 ASN HB3 H 1 2.891 0.009 . . . . . A 25 ASN HB3 . 17374 1 175 . 1 1 25 25 ASN C C 13 178.204 0.078 . . . . . A 25 ASN C . 17374 1 176 . 1 1 25 25 ASN CA C 13 56.057 0.000 . . . . . A 25 ASN CA . 17374 1 177 . 1 1 25 25 ASN CB C 13 37.364 0.196 . . . . . A 25 ASN CB . 17374 1 178 . 1 1 25 25 ASN N N 15 119.775 0.060 . . . . . A 25 ASN N . 17374 1 179 . 1 1 26 26 ASP H H 1 8.401 0.007 . . . . . A 26 ASP H . 17374 1 180 . 1 1 26 26 ASP HA H 1 4.407 0.003 . . . . . A 26 ASP HA . 17374 1 181 . 1 1 26 26 ASP HB2 H 1 2.736 0.000 . . . . . A 26 ASP HB2 . 17374 1 182 . 1 1 26 26 ASP HB3 H 1 2.389 0.000 . . . . . A 26 ASP HB3 . 17374 1 183 . 1 1 26 26 ASP CB C 13 39.390 0.000 . . . . . A 26 ASP CB . 17374 1 184 . 1 1 26 26 ASP N N 15 121.727 0.049 . . . . . A 26 ASP N . 17374 1 185 . 1 1 27 27 LEU H H 1 7.733 0.002 . . . . . A 27 LEU H . 17374 1 186 . 1 1 27 27 LEU HA H 1 4.156 0.008 . . . . . A 27 LEU HA . 17374 1 187 . 1 1 27 27 LEU HB2 H 1 2.157 0.006 . . . . . A 27 LEU HB2 . 17374 1 188 . 1 1 27 27 LEU HB3 H 1 1.347 0.004 . . . . . A 27 LEU HB3 . 17374 1 189 . 1 1 27 27 LEU HG H 1 0.852 0.014 . . . . . A 27 LEU HG . 17374 1 190 . 1 1 27 27 LEU HD11 H 1 0.633 0.006 . . . . . A 27 LEU HD11 . 17374 1 191 . 1 1 27 27 LEU HD12 H 1 0.633 0.006 . . . . . A 27 LEU HD12 . 17374 1 192 . 1 1 27 27 LEU HD13 H 1 0.633 0.006 . . . . . A 27 LEU HD13 . 17374 1 193 . 1 1 27 27 LEU HD21 H 1 0.633 0.006 . . . . . A 27 LEU HD21 . 17374 1 194 . 1 1 27 27 LEU HD22 H 1 0.633 0.006 . . . . . A 27 LEU HD22 . 17374 1 195 . 1 1 27 27 LEU HD23 H 1 0.633 0.006 . . . . . A 27 LEU HD23 . 17374 1 196 . 1 1 27 27 LEU C C 13 180.075 0.025 . . . . . A 27 LEU C . 17374 1 197 . 1 1 27 27 LEU CA C 13 58.167 0.097 . . . . . A 27 LEU CA . 17374 1 198 . 1 1 27 27 LEU CB C 13 41.170 0.198 . . . . . A 27 LEU CB . 17374 1 199 . 1 1 27 27 LEU CG C 13 27.710 0.000 . . . . . A 27 LEU CG . 17374 1 200 . 1 1 27 27 LEU CD1 C 13 23.171 0.033 . . . . . A 27 LEU CD1 . 17374 1 201 . 1 1 27 27 LEU CD2 C 13 21.308 0.039 . . . . . A 27 LEU CD2 . 17374 1 202 . 1 1 27 27 LEU N N 15 123.260 0.073 . . . . . A 27 LEU N . 17374 1 203 . 1 1 28 28 ARG H H 1 8.308 0.005 . . . . . A 28 ARG H . 17374 1 204 . 1 1 28 28 ARG HA H 1 3.835 0.002 . . . . . A 28 ARG HA . 17374 1 205 . 1 1 28 28 ARG HB2 H 1 1.953 0.004 . . . . . A 28 ARG HB2 . 17374 1 206 . 1 1 28 28 ARG HB3 H 1 1.690 0.004 . . . . . A 28 ARG HB3 . 17374 1 207 . 1 1 28 28 ARG HG2 H 1 1.712 0.000 . . . . . A 28 ARG HG2 . 17374 1 208 . 1 1 28 28 ARG HG3 H 1 1.511 0.005 . . . . . A 28 ARG HG3 . 17374 1 209 . 1 1 28 28 ARG HD2 H 1 3.197 0.000 . . . . . A 28 ARG HD2 . 17374 1 210 . 1 1 28 28 ARG HD3 H 1 3.197 0.000 . . . . . A 28 ARG HD3 . 17374 1 211 . 1 1 28 28 ARG C C 13 178.104 0.001 . . . . . A 28 ARG C . 17374 1 212 . 1 1 28 28 ARG CA C 13 59.386 0.070 . . . . . A 28 ARG CA . 17374 1 213 . 1 1 28 28 ARG CB C 13 29.828 0.054 . . . . . A 28 ARG CB . 17374 1 214 . 1 1 28 28 ARG CG C 13 27.753 0.000 . . . . . A 28 ARG CG . 17374 1 215 . 1 1 28 28 ARG CD C 13 43.122 0.000 . . . . . A 28 ARG CD . 17374 1 216 . 1 1 28 28 ARG N N 15 119.593 0.073 . . . . . A 28 ARG N . 17374 1 217 . 1 1 29 29 HIS H H 1 7.643 0.007 . . . . . A 29 HIS H . 17374 1 218 . 1 1 29 29 HIS HA H 1 4.623 0.007 . . . . . A 29 HIS HA . 17374 1 219 . 1 1 29 29 HIS HB2 H 1 3.575 0.010 . . . . . A 29 HIS HB2 . 17374 1 220 . 1 1 29 29 HIS HB3 H 1 2.995 0.016 . . . . . A 29 HIS HB3 . 17374 1 221 . 1 1 29 29 HIS C C 13 173.166 0.012 . . . . . A 29 HIS C . 17374 1 222 . 1 1 29 29 HIS CA C 13 55.501 0.156 . . . . . A 29 HIS CA . 17374 1 223 . 1 1 29 29 HIS CB C 13 28.324 0.152 . . . . . A 29 HIS CB . 17374 1 224 . 1 1 29 29 HIS N N 15 114.126 0.036 . . . . . A 29 HIS N . 17374 1 225 . 1 1 30 30 LYS H H 1 8.188 0.003 . . . . . A 30 LYS H . 17374 1 226 . 1 1 30 30 LYS HA H 1 3.808 0.005 . . . . . A 30 LYS HA . 17374 1 227 . 1 1 30 30 LYS HB2 H 1 1.744 0.018 . . . . . A 30 LYS HB2 . 17374 1 228 . 1 1 30 30 LYS HB3 H 1 2.120 0.005 . . . . . A 30 LYS HB3 . 17374 1 229 . 1 1 30 30 LYS HG2 H 1 1.604 0.000 . . . . . A 30 LYS HG2 . 17374 1 230 . 1 1 30 30 LYS HG3 H 1 1.306 0.003 . . . . . A 30 LYS HG3 . 17374 1 231 . 1 1 30 30 LYS HE2 H 1 2.950 0.007 . . . . . A 30 LYS HE2 . 17374 1 232 . 1 1 30 30 LYS HE3 H 1 2.950 0.007 . . . . . A 30 LYS HE3 . 17374 1 233 . 1 1 30 30 LYS C C 13 175.589 0.016 . . . . . A 30 LYS C . 17374 1 234 . 1 1 30 30 LYS CA C 13 57.854 0.068 . . . . . A 30 LYS CA . 17374 1 235 . 1 1 30 30 LYS CB C 13 28.021 0.057 . . . . . A 30 LYS CB . 17374 1 236 . 1 1 30 30 LYS CG C 13 24.764 0.000 . . . . . A 30 LYS CG . 17374 1 237 . 1 1 30 30 LYS CE C 13 41.960 0.000 . . . . . A 30 LYS CE . 17374 1 238 . 1 1 30 30 LYS N N 15 113.480 0.027 . . . . . A 30 LYS N . 17374 1 239 . 1 1 31 31 LYS H H 1 8.529 0.004 . . . . . A 31 LYS H . 17374 1 240 . 1 1 31 31 LYS HA H 1 4.252 0.002 . . . . . A 31 LYS HA . 17374 1 241 . 1 1 31 31 LYS HB2 H 1 1.932 0.007 . . . . . A 31 LYS HB2 . 17374 1 242 . 1 1 31 31 LYS HB3 H 1 1.498 0.023 . . . . . A 31 LYS HB3 . 17374 1 243 . 1 1 31 31 LYS HD2 H 1 1.452 0.006 . . . . . A 31 LYS HD2 . 17374 1 244 . 1 1 31 31 LYS HD3 H 1 1.452 0.006 . . . . . A 31 LYS HD3 . 17374 1 245 . 1 1 31 31 LYS HE2 H 1 2.911 0.009 . . . . . A 31 LYS HE2 . 17374 1 246 . 1 1 31 31 LYS HE3 H 1 2.911 0.009 . . . . . A 31 LYS HE3 . 17374 1 247 . 1 1 31 31 LYS C C 13 175.524 0.012 . . . . . A 31 LYS C . 17374 1 248 . 1 1 31 31 LYS CA C 13 56.323 0.106 . . . . . A 31 LYS CA . 17374 1 249 . 1 1 31 31 LYS CB C 13 32.312 0.192 . . . . . A 31 LYS CB . 17374 1 250 . 1 1 31 31 LYS CG C 13 24.505 0.000 . . . . . A 31 LYS CG . 17374 1 251 . 1 1 31 31 LYS CD C 13 28.037 0.000 . . . . . A 31 LYS CD . 17374 1 252 . 1 1 31 31 LYS CE C 13 41.232 0.000 . . . . . A 31 LYS CE . 17374 1 253 . 1 1 31 31 LYS N N 15 115.328 0.030 . . . . . A 31 LYS N . 17374 1 254 . 1 1 32 32 SER H H 1 7.315 0.005 . . . . . A 32 SER H . 17374 1 255 . 1 1 32 32 SER HA H 1 4.364 0.009 . . . . . A 32 SER HA . 17374 1 256 . 1 1 32 32 SER HB2 H 1 3.872 0.001 . . . . . A 32 SER HB2 . 17374 1 257 . 1 1 32 32 SER HB3 H 1 3.592 0.007 . . . . . A 32 SER HB3 . 17374 1 258 . 1 1 32 32 SER C C 13 172.614 0.012 . . . . . A 32 SER C . 17374 1 259 . 1 1 32 32 SER CA C 13 55.147 0.116 . . . . . A 32 SER CA . 17374 1 260 . 1 1 32 32 SER CB C 13 64.917 0.019 . . . . . A 32 SER CB . 17374 1 261 . 1 1 32 32 SER N N 15 111.146 0.021 . . . . . A 32 SER N . 17374 1 262 . 1 1 33 33 ARG H H 1 8.449 0.005 . . . . . A 33 ARG H . 17374 1 263 . 1 1 33 33 ARG HA H 1 4.370 0.007 . . . . . A 33 ARG HA . 17374 1 264 . 1 1 33 33 ARG HB2 H 1 2.241 0.007 . . . . . A 33 ARG HB2 . 17374 1 265 . 1 1 33 33 ARG HB3 H 1 1.446 0.005 . . . . . A 33 ARG HB3 . 17374 1 266 . 1 1 33 33 ARG C C 13 173.519 0.010 . . . . . A 33 ARG C . 17374 1 267 . 1 1 33 33 ARG CA C 13 53.889 0.177 . . . . . A 33 ARG CA . 17374 1 268 . 1 1 33 33 ARG CB C 13 31.451 0.212 . . . . . A 33 ARG CB . 17374 1 269 . 1 1 33 33 ARG CG C 13 23.492 0.000 . . . . . A 33 ARG CG . 17374 1 270 . 1 1 33 33 ARG CD C 13 40.017 0.000 . . . . . A 33 ARG CD . 17374 1 271 . 1 1 33 33 ARG N N 15 117.680 0.068 . . . . . A 33 ARG N . 17374 1 272 . 1 1 34 34 TYR H H 1 6.983 0.006 . . . . . A 34 TYR H . 17374 1 273 . 1 1 34 34 TYR HA H 1 5.384 0.004 . . . . . A 34 TYR HA . 17374 1 274 . 1 1 34 34 TYR HB2 H 1 3.537 0.013 . . . . . A 34 TYR HB2 . 17374 1 275 . 1 1 34 34 TYR HB3 H 1 3.133 0.014 . . . . . A 34 TYR HB3 . 17374 1 276 . 1 1 34 34 TYR C C 13 173.561 0.014 . . . . . A 34 TYR C . 17374 1 277 . 1 1 34 34 TYR CA C 13 54.680 0.153 . . . . . A 34 TYR CA . 17374 1 278 . 1 1 34 34 TYR CB C 13 42.180 0.085 . . . . . A 34 TYR CB . 17374 1 279 . 1 1 34 34 TYR N N 15 108.125 0.069 . . . . . A 34 TYR N . 17374 1 280 . 1 1 35 35 VAL H H 1 9.233 0.006 . . . . . A 35 VAL H . 17374 1 281 . 1 1 35 35 VAL HA H 1 4.763 0.002 . . . . . A 35 VAL HA . 17374 1 282 . 1 1 35 35 VAL HB H 1 2.031 0.012 . . . . . A 35 VAL HB . 17374 1 283 . 1 1 35 35 VAL HG11 H 1 0.654 0.000 . . . . . A 35 VAL HG11 . 17374 1 284 . 1 1 35 35 VAL HG12 H 1 0.654 0.000 . . . . . A 35 VAL HG12 . 17374 1 285 . 1 1 35 35 VAL HG13 H 1 0.654 0.000 . . . . . A 35 VAL HG13 . 17374 1 286 . 1 1 35 35 VAL HG21 H 1 1.016 0.011 . . . . . A 35 VAL HG21 . 17374 1 287 . 1 1 35 35 VAL HG22 H 1 1.016 0.011 . . . . . A 35 VAL HG22 . 17374 1 288 . 1 1 35 35 VAL HG23 H 1 1.016 0.011 . . . . . A 35 VAL HG23 . 17374 1 289 . 1 1 35 35 VAL C C 13 174.505 0.009 . . . . . A 35 VAL C . 17374 1 290 . 1 1 35 35 VAL CA C 13 61.791 0.074 . . . . . A 35 VAL CA . 17374 1 291 . 1 1 35 35 VAL CB C 13 36.462 0.070 . . . . . A 35 VAL CB . 17374 1 292 . 1 1 35 35 VAL CG1 C 13 21.305 0.000 . . . . . A 35 VAL CG1 . 17374 1 293 . 1 1 35 35 VAL N N 15 119.533 0.038 . . . . . A 35 VAL N . 17374 1 294 . 1 1 36 36 ILE H H 1 9.609 0.005 . . . . . A 36 ILE H . 17374 1 295 . 1 1 36 36 ILE HA H 1 5.066 0.009 . . . . . A 36 ILE HA . 17374 1 296 . 1 1 36 36 ILE HB H 1 2.078 0.013 . . . . . A 36 ILE HB . 17374 1 297 . 1 1 36 36 ILE HG12 H 1 1.560 0.072 . . . . . A 36 ILE HG12 . 17374 1 298 . 1 1 36 36 ILE HG13 H 1 1.441 0.000 . . . . . A 36 ILE HG13 . 17374 1 299 . 1 1 36 36 ILE HG21 H 1 1.054 0.007 . . . . . A 36 ILE HG21 . 17374 1 300 . 1 1 36 36 ILE HG22 H 1 1.054 0.007 . . . . . A 36 ILE HG22 . 17374 1 301 . 1 1 36 36 ILE HG23 H 1 1.054 0.007 . . . . . A 36 ILE HG23 . 17374 1 302 . 1 1 36 36 ILE HD11 H 1 0.695 0.010 . . . . . A 36 ILE HD11 . 17374 1 303 . 1 1 36 36 ILE HD12 H 1 0.695 0.010 . . . . . A 36 ILE HD12 . 17374 1 304 . 1 1 36 36 ILE HD13 H 1 0.695 0.010 . . . . . A 36 ILE HD13 . 17374 1 305 . 1 1 36 36 ILE C C 13 175.651 0.011 . . . . . A 36 ILE C . 17374 1 306 . 1 1 36 36 ILE CA C 13 59.569 0.046 . . . . . A 36 ILE CA . 17374 1 307 . 1 1 36 36 ILE CB C 13 36.984 0.075 . . . . . A 36 ILE CB . 17374 1 308 . 1 1 36 36 ILE CG1 C 13 27.427 0.000 . . . . . A 36 ILE CG1 . 17374 1 309 . 1 1 36 36 ILE CG2 C 13 17.406 0.000 . . . . . A 36 ILE CG2 . 17374 1 310 . 1 1 36 36 ILE CD1 C 13 11.147 0.014 . . . . . A 36 ILE CD1 . 17374 1 311 . 1 1 36 36 ILE N N 15 127.705 0.049 . . . . . A 36 ILE N . 17374 1 312 . 1 1 37 37 MET H H 1 9.995 0.004 . . . . . A 37 MET H . 17374 1 313 . 1 1 37 37 MET HA H 1 5.469 0.007 . . . . . A 37 MET HA . 17374 1 314 . 1 1 37 37 MET HB2 H 1 2.317 0.006 . . . . . A 37 MET HB2 . 17374 1 315 . 1 1 37 37 MET HB3 H 1 2.317 0.006 . . . . . A 37 MET HB3 . 17374 1 316 . 1 1 37 37 MET HG2 H 1 2.702 0.010 . . . . . A 37 MET HG2 . 17374 1 317 . 1 1 37 37 MET HG3 H 1 2.702 0.010 . . . . . A 37 MET HG3 . 17374 1 318 . 1 1 37 37 MET HE1 H 1 1.872 0.008 . . . . . A 37 MET HE1 . 17374 1 319 . 1 1 37 37 MET HE2 H 1 1.872 0.008 . . . . . A 37 MET HE2 . 17374 1 320 . 1 1 37 37 MET HE3 H 1 1.872 0.008 . . . . . A 37 MET HE3 . 17374 1 321 . 1 1 37 37 MET C C 13 174.087 0.009 . . . . . A 37 MET C . 17374 1 322 . 1 1 37 37 MET CA C 13 54.372 0.184 . . . . . A 37 MET CA . 17374 1 323 . 1 1 37 37 MET CB C 13 37.721 0.124 . . . . . A 37 MET CB . 17374 1 324 . 1 1 37 37 MET CG C 13 32.188 0.000 . . . . . A 37 MET CG . 17374 1 325 . 1 1 37 37 MET N N 15 127.742 0.036 . . . . . A 37 MET N . 17374 1 326 . 1 1 38 38 HIS H H 1 9.522 0.004 . . . . . A 38 HIS H . 17374 1 327 . 1 1 38 38 HIS HA H 1 5.421 0.005 . . . . . A 38 HIS HA . 17374 1 328 . 1 1 38 38 HIS HB2 H 1 3.486 0.000 . . . . . A 38 HIS HB2 . 17374 1 329 . 1 1 38 38 HIS HB3 H 1 3.423 0.000 . . . . . A 38 HIS HB3 . 17374 1 330 . 1 1 38 38 HIS C C 13 172.123 0.021 . . . . . A 38 HIS C . 17374 1 331 . 1 1 38 38 HIS CA C 13 52.909 0.138 . . . . . A 38 HIS CA . 17374 1 332 . 1 1 38 38 HIS CB C 13 34.132 0.010 . . . . . A 38 HIS CB . 17374 1 333 . 1 1 38 38 HIS N N 15 117.585 0.041 . . . . . A 38 HIS N . 17374 1 334 . 1 1 39 39 ILE H H 1 8.727 0.005 . . . . . A 39 ILE H . 17374 1 335 . 1 1 39 39 ILE HA H 1 4.826 0.004 . . . . . A 39 ILE HA . 17374 1 336 . 1 1 39 39 ILE HB H 1 1.190 0.010 . . . . . A 39 ILE HB . 17374 1 337 . 1 1 39 39 ILE HG12 H 1 0.693 0.009 . . . . . A 39 ILE HG12 . 17374 1 338 . 1 1 39 39 ILE HG13 H 1 0.693 0.009 . . . . . A 39 ILE HG13 . 17374 1 339 . 1 1 39 39 ILE HG21 H 1 0.490 0.011 . . . . . A 39 ILE HG21 . 17374 1 340 . 1 1 39 39 ILE HG22 H 1 0.490 0.011 . . . . . A 39 ILE HG22 . 17374 1 341 . 1 1 39 39 ILE HG23 H 1 0.490 0.011 . . . . . A 39 ILE HG23 . 17374 1 342 . 1 1 39 39 ILE HD11 H 1 -0.033 0.003 . . . . . A 39 ILE HD11 . 17374 1 343 . 1 1 39 39 ILE HD12 H 1 -0.033 0.003 . . . . . A 39 ILE HD12 . 17374 1 344 . 1 1 39 39 ILE HD13 H 1 -0.033 0.003 . . . . . A 39 ILE HD13 . 17374 1 345 . 1 1 39 39 ILE C C 13 176.174 0.010 . . . . . A 39 ILE C . 17374 1 346 . 1 1 39 39 ILE CA C 13 60.443 0.132 . . . . . A 39 ILE CA . 17374 1 347 . 1 1 39 39 ILE CB C 13 37.751 0.128 . . . . . A 39 ILE CB . 17374 1 348 . 1 1 39 39 ILE CG1 C 13 28.787 0.000 . . . . . A 39 ILE CG1 . 17374 1 349 . 1 1 39 39 ILE CG2 C 13 16.615 0.000 . . . . . A 39 ILE CG2 . 17374 1 350 . 1 1 39 39 ILE CD1 C 13 11.346 0.011 . . . . . A 39 ILE CD1 . 17374 1 351 . 1 1 39 39 ILE N N 15 119.165 0.066 . . . . . A 39 ILE N . 17374 1 352 . 1 1 40 40 VAL H H 1 9.547 0.004 . . . . . A 40 VAL H . 17374 1 353 . 1 1 40 40 VAL HA H 1 4.167 0.006 . . . . . A 40 VAL HA . 17374 1 354 . 1 1 40 40 VAL HB H 1 1.875 0.004 . . . . . A 40 VAL HB . 17374 1 355 . 1 1 40 40 VAL HG11 H 1 0.665 0.008 . . . . . A 40 VAL HG11 . 17374 1 356 . 1 1 40 40 VAL HG12 H 1 0.665 0.008 . . . . . A 40 VAL HG12 . 17374 1 357 . 1 1 40 40 VAL HG13 H 1 0.665 0.008 . . . . . A 40 VAL HG13 . 17374 1 358 . 1 1 40 40 VAL HG21 H 1 0.665 0.008 . . . . . A 40 VAL HG21 . 17374 1 359 . 1 1 40 40 VAL HG22 H 1 0.665 0.008 . . . . . A 40 VAL HG22 . 17374 1 360 . 1 1 40 40 VAL HG23 H 1 0.665 0.008 . . . . . A 40 VAL HG23 . 17374 1 361 . 1 1 40 40 VAL C C 13 176.157 0.005 . . . . . A 40 VAL C . 17374 1 362 . 1 1 40 40 VAL CA C 13 60.426 0.117 . . . . . A 40 VAL CA . 17374 1 363 . 1 1 40 40 VAL CB C 13 33.137 0.076 . . . . . A 40 VAL CB . 17374 1 364 . 1 1 40 40 VAL CG1 C 13 19.984 0.000 . . . . . A 40 VAL CG1 . 17374 1 365 . 1 1 40 40 VAL N N 15 128.825 0.065 . . . . . A 40 VAL N . 17374 1 366 . 1 1 41 41 ASP H H 1 9.345 0.004 . . . . . A 41 ASP H . 17374 1 367 . 1 1 41 41 ASP HA H 1 4.304 0.006 . . . . . A 41 ASP HA . 17374 1 368 . 1 1 41 41 ASP HB2 H 1 2.907 0.008 . . . . . A 41 ASP HB2 . 17374 1 369 . 1 1 41 41 ASP HB3 H 1 2.598 0.001 . . . . . A 41 ASP HB3 . 17374 1 370 . 1 1 41 41 ASP C C 13 173.995 0.017 . . . . . A 41 ASP C . 17374 1 371 . 1 1 41 41 ASP CA C 13 55.262 0.104 . . . . . A 41 ASP CA . 17374 1 372 . 1 1 41 41 ASP CB C 13 39.679 0.074 . . . . . A 41 ASP CB . 17374 1 373 . 1 1 41 41 ASP N N 15 126.279 0.053 . . . . . A 41 ASP N . 17374 1 374 . 1 1 42 42 GLN H H 1 8.830 0.003 . . . . . A 42 GLN H . 17374 1 375 . 1 1 42 42 GLN HA H 1 3.354 0.004 . . . . . A 42 GLN HA . 17374 1 376 . 1 1 42 42 GLN HB2 H 1 2.215 0.009 . . . . . A 42 GLN HB2 . 17374 1 377 . 1 1 42 42 GLN HB3 H 1 2.125 0.000 . . . . . A 42 GLN HB3 . 17374 1 378 . 1 1 42 42 GLN C C 13 174.715 0.023 . . . . . A 42 GLN C . 17374 1 379 . 1 1 42 42 GLN CA C 13 57.531 0.140 . . . . . A 42 GLN CA . 17374 1 380 . 1 1 42 42 GLN CB C 13 27.248 0.081 . . . . . A 42 GLN CB . 17374 1 381 . 1 1 42 42 GLN CG C 13 34.033 0.000 . . . . . A 42 GLN CG . 17374 1 382 . 1 1 42 42 GLN N N 15 108.991 0.028 . . . . . A 42 GLN N . 17374 1 383 . 1 1 43 43 LYS H H 1 7.890 0.003 . . . . . A 43 LYS H . 17374 1 384 . 1 1 43 43 LYS HA H 1 4.736 0.011 . . . . . A 43 LYS HA . 17374 1 385 . 1 1 43 43 LYS HB2 H 1 1.718 0.011 . . . . . A 43 LYS HB2 . 17374 1 386 . 1 1 43 43 LYS HB3 H 1 1.718 0.011 . . . . . A 43 LYS HB3 . 17374 1 387 . 1 1 43 43 LYS HG2 H 1 1.389 0.004 . . . . . A 43 LYS HG2 . 17374 1 388 . 1 1 43 43 LYS HG3 H 1 1.389 0.004 . . . . . A 43 LYS HG3 . 17374 1 389 . 1 1 43 43 LYS HE2 H 1 2.967 0.000 . . . . . A 43 LYS HE2 . 17374 1 390 . 1 1 43 43 LYS HE3 H 1 2.967 0.000 . . . . . A 43 LYS HE3 . 17374 1 391 . 1 1 43 43 LYS C C 13 175.254 0.018 . . . . . A 43 LYS C . 17374 1 392 . 1 1 43 43 LYS CA C 13 57.035 0.055 . . . . . A 43 LYS CA . 17374 1 393 . 1 1 43 43 LYS CB C 13 36.216 0.060 . . . . . A 43 LYS CB . 17374 1 394 . 1 1 43 43 LYS CG C 13 23.253 0.000 . . . . . A 43 LYS CG . 17374 1 395 . 1 1 43 43 LYS CD C 13 28.290 0.000 . . . . . A 43 LYS CD . 17374 1 396 . 1 1 43 43 LYS CE C 13 41.464 0.000 . . . . . A 43 LYS CE . 17374 1 397 . 1 1 43 43 LYS N N 15 114.172 0.028 . . . . . A 43 LYS N . 17374 1 398 . 1 1 44 44 SER H H 1 7.742 0.005 . . . . . A 44 SER H . 17374 1 399 . 1 1 44 44 SER HA H 1 5.464 0.005 . . . . . A 44 SER HA . 17374 1 400 . 1 1 44 44 SER HB2 H 1 3.559 0.005 . . . . . A 44 SER HB2 . 17374 1 401 . 1 1 44 44 SER HB3 H 1 3.559 0.005 . . . . . A 44 SER HB3 . 17374 1 402 . 1 1 44 44 SER C C 13 173.547 0.022 . . . . . A 44 SER C . 17374 1 403 . 1 1 44 44 SER CA C 13 55.654 0.160 . . . . . A 44 SER CA . 17374 1 404 . 1 1 44 44 SER CB C 13 65.414 0.081 . . . . . A 44 SER CB . 17374 1 405 . 1 1 44 44 SER N N 15 114.967 0.035 . . . . . A 44 SER N . 17374 1 406 . 1 1 45 45 ILE H H 1 9.115 0.004 . . . . . A 45 ILE H . 17374 1 407 . 1 1 45 45 ILE HA H 1 4.505 0.005 . . . . . A 45 ILE HA . 17374 1 408 . 1 1 45 45 ILE HB H 1 1.690 0.011 . . . . . A 45 ILE HB . 17374 1 409 . 1 1 45 45 ILE HG21 H 1 1.027 0.007 . . . . . A 45 ILE HG21 . 17374 1 410 . 1 1 45 45 ILE HG22 H 1 1.027 0.007 . . . . . A 45 ILE HG22 . 17374 1 411 . 1 1 45 45 ILE HG23 H 1 1.027 0.007 . . . . . A 45 ILE HG23 . 17374 1 412 . 1 1 45 45 ILE HD11 H 1 0.571 0.000 . . . . . A 45 ILE HD11 . 17374 1 413 . 1 1 45 45 ILE HD12 H 1 0.571 0.000 . . . . . A 45 ILE HD12 . 17374 1 414 . 1 1 45 45 ILE HD13 H 1 0.571 0.000 . . . . . A 45 ILE HD13 . 17374 1 415 . 1 1 45 45 ILE C C 13 172.574 0.011 . . . . . A 45 ILE C . 17374 1 416 . 1 1 45 45 ILE CA C 13 61.981 0.038 . . . . . A 45 ILE CA . 17374 1 417 . 1 1 45 45 ILE CB C 13 37.647 0.088 . . . . . A 45 ILE CB . 17374 1 418 . 1 1 45 45 ILE CG1 C 13 28.940 0.000 . . . . . A 45 ILE CG1 . 17374 1 419 . 1 1 45 45 ILE CG2 C 13 18.328 0.000 . . . . . A 45 ILE CG2 . 17374 1 420 . 1 1 45 45 ILE CD1 C 13 13.284 0.000 . . . . . A 45 ILE CD1 . 17374 1 421 . 1 1 45 45 ILE N N 15 127.100 0.113 . . . . . A 45 ILE N . 17374 1 422 . 1 1 46 46 ALA H H 1 9.348 0.005 . . . . . A 46 ALA H . 17374 1 423 . 1 1 46 46 ALA HA H 1 4.749 0.014 . . . . . A 46 ALA HA . 17374 1 424 . 1 1 46 46 ALA HB1 H 1 1.420 0.011 . . . . . A 46 ALA HB1 . 17374 1 425 . 1 1 46 46 ALA HB2 H 1 1.420 0.011 . . . . . A 46 ALA HB2 . 17374 1 426 . 1 1 46 46 ALA HB3 H 1 1.420 0.011 . . . . . A 46 ALA HB3 . 17374 1 427 . 1 1 46 46 ALA C C 13 176.890 0.015 . . . . . A 46 ALA C . 17374 1 428 . 1 1 46 46 ALA CA C 13 50.017 0.110 . . . . . A 46 ALA CA . 17374 1 429 . 1 1 46 46 ALA CB C 13 23.181 0.099 . . . . . A 46 ALA CB . 17374 1 430 . 1 1 46 46 ALA N N 15 130.768 0.039 . . . . . A 46 ALA N . 17374 1 431 . 1 1 47 47 VAL H H 1 9.099 0.005 . . . . . A 47 VAL H . 17374 1 432 . 1 1 47 47 VAL HA H 1 3.755 0.006 . . . . . A 47 VAL HA . 17374 1 433 . 1 1 47 47 VAL HB H 1 2.030 0.014 . . . . . A 47 VAL HB . 17374 1 434 . 1 1 47 47 VAL HG11 H 1 0.848 0.000 . . . . . A 47 VAL HG11 . 17374 1 435 . 1 1 47 47 VAL HG12 H 1 0.848 0.000 . . . . . A 47 VAL HG12 . 17374 1 436 . 1 1 47 47 VAL HG13 H 1 0.848 0.000 . . . . . A 47 VAL HG13 . 17374 1 437 . 1 1 47 47 VAL HG21 H 1 0.811 0.003 . . . . . A 47 VAL HG21 . 17374 1 438 . 1 1 47 47 VAL HG22 H 1 0.811 0.003 . . . . . A 47 VAL HG22 . 17374 1 439 . 1 1 47 47 VAL HG23 H 1 0.811 0.003 . . . . . A 47 VAL HG23 . 17374 1 440 . 1 1 47 47 VAL C C 13 175.457 0.019 . . . . . A 47 VAL C . 17374 1 441 . 1 1 47 47 VAL CA C 13 64.261 0.056 . . . . . A 47 VAL CA . 17374 1 442 . 1 1 47 47 VAL CB C 13 32.141 0.062 . . . . . A 47 VAL CB . 17374 1 443 . 1 1 47 47 VAL CG1 C 13 21.098 0.017 . . . . . A 47 VAL CG1 . 17374 1 444 . 1 1 47 47 VAL CG2 C 13 22.286 0.000 . . . . . A 47 VAL CG2 . 17374 1 445 . 1 1 47 47 VAL N N 15 121.443 0.078 . . . . . A 47 VAL N . 17374 1 446 . 1 1 48 48 LYS H H 1 9.733 0.043 . . . . . A 48 LYS H . 17374 1 447 . 1 1 48 48 LYS HA H 1 4.120 0.006 . . . . . A 48 LYS HA . 17374 1 448 . 1 1 48 48 LYS HB2 H 1 1.371 0.014 . . . . . A 48 LYS HB2 . 17374 1 449 . 1 1 48 48 LYS HB3 H 1 0.605 0.017 . . . . . A 48 LYS HB3 . 17374 1 450 . 1 1 48 48 LYS HG2 H 1 0.814 0.009 . . . . . A 48 LYS HG2 . 17374 1 451 . 1 1 48 48 LYS HG3 H 1 0.814 0.009 . . . . . A 48 LYS HG3 . 17374 1 452 . 1 1 48 48 LYS HD2 H 1 1.177 0.006 . . . . . A 48 LYS HD2 . 17374 1 453 . 1 1 48 48 LYS HD3 H 1 1.177 0.006 . . . . . A 48 LYS HD3 . 17374 1 454 . 1 1 48 48 LYS HE2 H 1 2.868 0.004 . . . . . A 48 LYS HE2 . 17374 1 455 . 1 1 48 48 LYS HE3 H 1 2.868 0.004 . . . . . A 48 LYS HE3 . 17374 1 456 . 1 1 48 48 LYS C C 13 176.483 0.000 . . . . . A 48 LYS C . 17374 1 457 . 1 1 48 48 LYS CA C 13 57.653 0.088 . . . . . A 48 LYS CA . 17374 1 458 . 1 1 48 48 LYS CB C 13 34.620 0.132 . . . . . A 48 LYS CB . 17374 1 459 . 1 1 48 48 LYS CG C 13 24.649 0.000 . . . . . A 48 LYS CG . 17374 1 460 . 1 1 48 48 LYS CD C 13 29.192 0.000 . . . . . A 48 LYS CD . 17374 1 461 . 1 1 48 48 LYS CE C 13 41.529 0.000 . . . . . A 48 LYS CE . 17374 1 462 . 1 1 48 48 LYS N N 15 130.849 0.052 . . . . . A 48 LYS N . 17374 1 463 . 1 1 49 49 THR H H 1 7.639 0.004 . . . . . A 49 THR H . 17374 1 464 . 1 1 49 49 THR HA H 1 4.577 0.005 . . . . . A 49 THR HA . 17374 1 465 . 1 1 49 49 THR HB H 1 3.990 0.008 . . . . . A 49 THR HB . 17374 1 466 . 1 1 49 49 THR HG21 H 1 1.293 0.018 . . . . . A 49 THR HG21 . 17374 1 467 . 1 1 49 49 THR HG22 H 1 1.293 0.018 . . . . . A 49 THR HG22 . 17374 1 468 . 1 1 49 49 THR HG23 H 1 1.293 0.018 . . . . . A 49 THR HG23 . 17374 1 469 . 1 1 49 49 THR C C 13 171.256 0.006 . . . . . A 49 THR C . 17374 1 470 . 1 1 49 49 THR CA C 13 61.308 0.095 . . . . . A 49 THR CA . 17374 1 471 . 1 1 49 49 THR CB C 13 71.293 0.052 . . . . . A 49 THR CB . 17374 1 472 . 1 1 49 49 THR CG2 C 13 21.506 0.000 . . . . . A 49 THR CG2 . 17374 1 473 . 1 1 49 49 THR N N 15 110.268 0.049 . . . . . A 49 THR N . 17374 1 474 . 1 1 50 50 ILE H H 1 8.502 0.002 . . . . . A 50 ILE H . 17374 1 475 . 1 1 50 50 ILE HA H 1 4.583 0.005 . . . . . A 50 ILE HA . 17374 1 476 . 1 1 50 50 ILE HB H 1 1.608 0.003 . . . . . A 50 ILE HB . 17374 1 477 . 1 1 50 50 ILE HG21 H 1 0.903 0.014 . . . . . A 50 ILE HG21 . 17374 1 478 . 1 1 50 50 ILE HG22 H 1 0.903 0.014 . . . . . A 50 ILE HG22 . 17374 1 479 . 1 1 50 50 ILE HG23 H 1 0.903 0.014 . . . . . A 50 ILE HG23 . 17374 1 480 . 1 1 50 50 ILE C C 13 175.374 0.015 . . . . . A 50 ILE C . 17374 1 481 . 1 1 50 50 ILE CA C 13 60.275 0.069 . . . . . A 50 ILE CA . 17374 1 482 . 1 1 50 50 ILE CB C 13 40.348 0.109 . . . . . A 50 ILE CB . 17374 1 483 . 1 1 50 50 ILE CG1 C 13 27.548 0.000 . . . . . A 50 ILE CG1 . 17374 1 484 . 1 1 50 50 ILE CG2 C 13 16.653 0.000 . . . . . A 50 ILE CG2 . 17374 1 485 . 1 1 50 50 ILE CD1 C 13 12.289 0.000 . . . . . A 50 ILE CD1 . 17374 1 486 . 1 1 50 50 ILE N N 15 126.100 0.018 . . . . . A 50 ILE N . 17374 1 487 . 1 1 51 51 GLY H H 1 8.449 0.005 . . . . . A 51 GLY H . 17374 1 488 . 1 1 51 51 GLY HA2 H 1 3.813 0.014 . . . . . A 51 GLY HA2 . 17374 1 489 . 1 1 51 51 GLY HA3 H 1 1.379 0.001 . . . . . A 51 GLY HA3 . 17374 1 490 . 1 1 51 51 GLY C C 13 172.973 0.009 . . . . . A 51 GLY C . 17374 1 491 . 1 1 51 51 GLY CA C 13 43.020 0.038 . . . . . A 51 GLY CA . 17374 1 492 . 1 1 51 51 GLY N N 15 118.527 0.135 . . . . . A 51 GLY N . 17374 1 493 . 1 1 52 52 GLU H H 1 8.919 0.004 . . . . . A 52 GLU H . 17374 1 494 . 1 1 52 52 GLU HA H 1 4.212 0.004 . . . . . A 52 GLU HA . 17374 1 495 . 1 1 52 52 GLU HB2 H 1 2.097 0.008 . . . . . A 52 GLU HB2 . 17374 1 496 . 1 1 52 52 GLU HB3 H 1 2.097 0.008 . . . . . A 52 GLU HB3 . 17374 1 497 . 1 1 52 52 GLU HG2 H 1 2.287 0.007 . . . . . A 52 GLU HG2 . 17374 1 498 . 1 1 52 52 GLU HG3 H 1 2.287 0.007 . . . . . A 52 GLU HG3 . 17374 1 499 . 1 1 52 52 GLU C C 13 176.156 0.035 . . . . . A 52 GLU C . 17374 1 500 . 1 1 52 52 GLU CA C 13 55.886 0.168 . . . . . A 52 GLU CA . 17374 1 501 . 1 1 52 52 GLU CB C 13 28.976 0.077 . . . . . A 52 GLU CB . 17374 1 502 . 1 1 52 52 GLU CG C 13 34.593 0.000 . . . . . A 52 GLU CG . 17374 1 503 . 1 1 52 52 GLU N N 15 127.008 0.053 . . . . . A 52 GLU N . 17374 1 504 . 1 1 53 53 ARG H H 1 8.715 0.003 . . . . . A 53 ARG H . 17374 1 505 . 1 1 53 53 ARG HA H 1 3.703 0.001 . . . . . A 53 ARG HA . 17374 1 506 . 1 1 53 53 ARG HB2 H 1 1.893 0.009 . . . . . A 53 ARG HB2 . 17374 1 507 . 1 1 53 53 ARG HB3 H 1 1.532 0.008 . . . . . A 53 ARG HB3 . 17374 1 508 . 1 1 53 53 ARG HG2 H 1 1.774 0.000 . . . . . A 53 ARG HG2 . 17374 1 509 . 1 1 53 53 ARG HG3 H 1 1.774 0.000 . . . . . A 53 ARG HG3 . 17374 1 510 . 1 1 53 53 ARG HD2 H 1 2.713 0.001 . . . . . A 53 ARG HD2 . 17374 1 511 . 1 1 53 53 ARG HD3 H 1 2.401 0.003 . . . . . A 53 ARG HD3 . 17374 1 512 . 1 1 53 53 ARG C C 13 175.959 0.003 . . . . . A 53 ARG C . 17374 1 513 . 1 1 53 53 ARG CA C 13 57.416 0.081 . . . . . A 53 ARG CA . 17374 1 514 . 1 1 53 53 ARG CB C 13 29.184 0.102 . . . . . A 53 ARG CB . 17374 1 515 . 1 1 53 53 ARG CG C 13 23.480 0.000 . . . . . A 53 ARG CG . 17374 1 516 . 1 1 53 53 ARG CD C 13 42.432 0.000 . . . . . A 53 ARG CD . 17374 1 517 . 1 1 53 53 ARG N N 15 119.269 0.040 . . . . . A 53 ARG N . 17374 1 518 . 1 1 54 54 GLY H H 1 8.526 0.003 . . . . . A 54 GLY H . 17374 1 519 . 1 1 54 54 GLY HA2 H 1 4.131 0.011 . . . . . A 54 GLY HA2 . 17374 1 520 . 1 1 54 54 GLY HA3 H 1 3.638 0.007 . . . . . A 54 GLY HA3 . 17374 1 521 . 1 1 54 54 GLY C C 13 174.251 0.005 . . . . . A 54 GLY C . 17374 1 522 . 1 1 54 54 GLY CA C 13 44.805 0.133 . . . . . A 54 GLY CA . 17374 1 523 . 1 1 54 54 GLY N N 15 103.453 0.039 . . . . . A 54 GLY N . 17374 1 524 . 1 1 55 55 ALA H H 1 7.848 0.004 . . . . . A 55 ALA H . 17374 1 525 . 1 1 55 55 ALA HA H 1 4.459 0.005 . . . . . A 55 ALA HA . 17374 1 526 . 1 1 55 55 ALA HB1 H 1 1.553 0.006 . . . . . A 55 ALA HB1 . 17374 1 527 . 1 1 55 55 ALA HB2 H 1 1.553 0.006 . . . . . A 55 ALA HB2 . 17374 1 528 . 1 1 55 55 ALA HB3 H 1 1.553 0.006 . . . . . A 55 ALA HB3 . 17374 1 529 . 1 1 55 55 ALA C C 13 176.652 0.012 . . . . . A 55 ALA C . 17374 1 530 . 1 1 55 55 ALA CA C 13 52.407 0.097 . . . . . A 55 ALA CA . 17374 1 531 . 1 1 55 55 ALA CB C 13 19.374 0.202 . . . . . A 55 ALA CB . 17374 1 532 . 1 1 55 55 ALA N N 15 124.067 0.036 . . . . . A 55 ALA N . 17374 1 533 . 1 1 56 56 ASN H H 1 8.154 0.004 . . . . . A 56 ASN H . 17374 1 534 . 1 1 56 56 ASN HA H 1 5.169 0.011 . . . . . A 56 ASN HA . 17374 1 535 . 1 1 56 56 ASN HB2 H 1 3.456 0.014 . . . . . A 56 ASN HB2 . 17374 1 536 . 1 1 56 56 ASN HB3 H 1 2.968 0.007 . . . . . A 56 ASN HB3 . 17374 1 537 . 1 1 56 56 ASN C C 13 175.572 0.024 . . . . . A 56 ASN C . 17374 1 538 . 1 1 56 56 ASN CA C 13 50.010 0.134 . . . . . A 56 ASN CA . 17374 1 539 . 1 1 56 56 ASN CB C 13 40.267 0.007 . . . . . A 56 ASN CB . 17374 1 540 . 1 1 56 56 ASN N N 15 117.574 0.026 . . . . . A 56 ASN N . 17374 1 541 . 1 1 57 57 PHE H H 1 8.845 0.004 . . . . . A 57 PHE H . 17374 1 542 . 1 1 57 57 PHE HA H 1 4.071 0.005 . . . . . A 57 PHE HA . 17374 1 543 . 1 1 57 57 PHE HB2 H 1 3.410 0.000 . . . . . A 57 PHE HB2 . 17374 1 544 . 1 1 57 57 PHE HB3 H 1 3.029 0.001 . . . . . A 57 PHE HB3 . 17374 1 545 . 1 1 57 57 PHE C C 13 175.957 0.017 . . . . . A 57 PHE C . 17374 1 546 . 1 1 57 57 PHE CA C 13 62.206 0.063 . . . . . A 57 PHE CA . 17374 1 547 . 1 1 57 57 PHE CB C 13 39.131 0.178 . . . . . A 57 PHE CB . 17374 1 548 . 1 1 57 57 PHE N N 15 118.660 0.022 . . . . . A 57 PHE N . 17374 1 549 . 1 1 58 58 ASP H H 1 8.131 0.004 . . . . . A 58 ASP H . 17374 1 550 . 1 1 58 58 ASP HA H 1 4.262 0.005 . . . . . A 58 ASP HA . 17374 1 551 . 1 1 58 58 ASP HB2 H 1 2.631 0.001 . . . . . A 58 ASP HB2 . 17374 1 552 . 1 1 58 58 ASP HB3 H 1 2.631 0.001 . . . . . A 58 ASP HB3 . 17374 1 553 . 1 1 58 58 ASP C C 13 179.430 0.026 . . . . . A 58 ASP C . 17374 1 554 . 1 1 58 58 ASP CA C 13 57.314 0.085 . . . . . A 58 ASP CA . 17374 1 555 . 1 1 58 58 ASP CB C 13 39.572 0.026 . . . . . A 58 ASP CB . 17374 1 556 . 1 1 58 58 ASP N N 15 117.702 0.060 . . . . . A 58 ASP N . 17374 1 557 . 1 1 59 59 GLN H H 1 8.296 0.003 . . . . . A 59 GLN H . 17374 1 558 . 1 1 59 59 GLN HA H 1 3.925 0.010 . . . . . A 59 GLN HA . 17374 1 559 . 1 1 59 59 GLN HB2 H 1 2.417 0.000 . . . . . A 59 GLN HB2 . 17374 1 560 . 1 1 59 59 GLN HB3 H 1 2.225 0.009 . . . . . A 59 GLN HB3 . 17374 1 561 . 1 1 59 59 GLN HG2 H 1 2.637 0.000 . . . . . A 59 GLN HG2 . 17374 1 562 . 1 1 59 59 GLN HG3 H 1 2.459 0.007 . . . . . A 59 GLN HG3 . 17374 1 563 . 1 1 59 59 GLN C C 13 178.355 0.012 . . . . . A 59 GLN C . 17374 1 564 . 1 1 59 59 GLN CA C 13 58.765 0.072 . . . . . A 59 GLN CA . 17374 1 565 . 1 1 59 59 GLN CB C 13 28.469 0.033 . . . . . A 59 GLN CB . 17374 1 566 . 1 1 59 59 GLN CG C 13 34.127 0.000 . . . . . A 59 GLN CG . 17374 1 567 . 1 1 59 59 GLN N N 15 120.987 0.062 . . . . . A 59 GLN N . 17374 1 568 . 1 1 60 60 PHE H H 1 7.713 0.003 . . . . . A 60 PHE H . 17374 1 569 . 1 1 60 60 PHE HA H 1 3.310 0.004 . . . . . A 60 PHE HA . 17374 1 570 . 1 1 60 60 PHE HB2 H 1 2.855 0.009 . . . . . A 60 PHE HB2 . 17374 1 571 . 1 1 60 60 PHE HB3 H 1 2.623 0.002 . . . . . A 60 PHE HB3 . 17374 1 572 . 1 1 60 60 PHE C C 13 174.873 0.005 . . . . . A 60 PHE C . 17374 1 573 . 1 1 60 60 PHE CA C 13 58.277 0.127 . . . . . A 60 PHE CA . 17374 1 574 . 1 1 60 60 PHE CB C 13 37.972 0.138 . . . . . A 60 PHE CB . 17374 1 575 . 1 1 60 60 PHE N N 15 121.287 0.066 . . . . . A 60 PHE N . 17374 1 576 . 1 1 61 61 ILE H H 1 7.663 0.003 . . . . . A 61 ILE H . 17374 1 577 . 1 1 61 61 ILE HA H 1 2.715 0.008 . . . . . A 61 ILE HA . 17374 1 578 . 1 1 61 61 ILE HB H 1 1.750 0.011 . . . . . A 61 ILE HB . 17374 1 579 . 1 1 61 61 ILE HG12 H 1 0.722 0.004 . . . . . A 61 ILE HG12 . 17374 1 580 . 1 1 61 61 ILE HG13 H 1 0.839 0.001 . . . . . A 61 ILE HG13 . 17374 1 581 . 1 1 61 61 ILE HG21 H 1 0.489 0.005 . . . . . A 61 ILE HG21 . 17374 1 582 . 1 1 61 61 ILE HG22 H 1 0.489 0.005 . . . . . A 61 ILE HG22 . 17374 1 583 . 1 1 61 61 ILE HG23 H 1 0.489 0.005 . . . . . A 61 ILE HG23 . 17374 1 584 . 1 1 61 61 ILE HD11 H 1 -0.055 0.004 . . . . . A 61 ILE HD11 . 17374 1 585 . 1 1 61 61 ILE HD12 H 1 -0.055 0.004 . . . . . A 61 ILE HD12 . 17374 1 586 . 1 1 61 61 ILE HD13 H 1 -0.055 0.004 . . . . . A 61 ILE HD13 . 17374 1 587 . 1 1 61 61 ILE C C 13 180.497 0.018 . . . . . A 61 ILE C . 17374 1 588 . 1 1 61 61 ILE CA C 13 60.750 0.085 . . . . . A 61 ILE CA . 17374 1 589 . 1 1 61 61 ILE CB C 13 33.659 0.025 . . . . . A 61 ILE CB . 17374 1 590 . 1 1 61 61 ILE CG1 C 13 25.890 0.000 . . . . . A 61 ILE CG1 . 17374 1 591 . 1 1 61 61 ILE CG2 C 13 16.972 0.000 . . . . . A 61 ILE CG2 . 17374 1 592 . 1 1 61 61 ILE CD1 C 13 8.261 0.009 . . . . . A 61 ILE CD1 . 17374 1 593 . 1 1 61 61 ILE N N 15 115.935 0.040 . . . . . A 61 ILE N . 17374 1 594 . 1 1 62 62 GLU H H 1 7.724 0.005 . . . . . A 62 GLU H . 17374 1 595 . 1 1 62 62 GLU HA H 1 3.747 0.013 . . . . . A 62 GLU HA . 17374 1 596 . 1 1 62 62 GLU HB2 H 1 1.960 0.005 . . . . . A 62 GLU HB2 . 17374 1 597 . 1 1 62 62 GLU HB3 H 1 1.960 0.005 . . . . . A 62 GLU HB3 . 17374 1 598 . 1 1 62 62 GLU HG2 H 1 2.214 0.010 . . . . . A 62 GLU HG2 . 17374 1 599 . 1 1 62 62 GLU HG3 H 1 2.214 0.010 . . . . . A 62 GLU HG3 . 17374 1 600 . 1 1 62 62 GLU C C 13 176.844 0.020 . . . . . A 62 GLU C . 17374 1 601 . 1 1 62 62 GLU CA C 13 58.228 0.138 . . . . . A 62 GLU CA . 17374 1 602 . 1 1 62 62 GLU CB C 13 28.884 0.043 . . . . . A 62 GLU CB . 17374 1 603 . 1 1 62 62 GLU CG C 13 35.653 0.000 . . . . . A 62 GLU CG . 17374 1 604 . 1 1 62 62 GLU N N 15 120.930 0.059 . . . . . A 62 GLU N . 17374 1 605 . 1 1 63 63 ALA H H 1 7.158 0.004 . . . . . A 63 ALA H . 17374 1 606 . 1 1 63 63 ALA HA H 1 4.011 0.009 . . . . . A 63 ALA HA . 17374 1 607 . 1 1 63 63 ALA HB1 H 1 1.338 0.006 . . . . . A 63 ALA HB1 . 17374 1 608 . 1 1 63 63 ALA HB2 H 1 1.338 0.006 . . . . . A 63 ALA HB2 . 17374 1 609 . 1 1 63 63 ALA HB3 H 1 1.338 0.006 . . . . . A 63 ALA HB3 . 17374 1 610 . 1 1 63 63 ALA C C 13 176.771 0.002 . . . . . A 63 ALA C . 17374 1 611 . 1 1 63 63 ALA CA C 13 52.209 0.078 . . . . . A 63 ALA CA . 17374 1 612 . 1 1 63 63 ALA CB C 13 17.560 0.142 . . . . . A 63 ALA CB . 17374 1 613 . 1 1 63 63 ALA N N 15 119.894 0.029 . . . . . A 63 ALA N . 17374 1 614 . 1 1 64 64 ILE H H 1 6.955 0.005 . . . . . A 64 ILE H . 17374 1 615 . 1 1 64 64 ILE HA H 1 3.312 0.004 . . . . . A 64 ILE HA . 17374 1 616 . 1 1 64 64 ILE HB H 1 1.110 0.037 . . . . . A 64 ILE HB . 17374 1 617 . 1 1 64 64 ILE HG12 H 1 0.696 0.000 . . . . . A 64 ILE HG12 . 17374 1 618 . 1 1 64 64 ILE HG13 H 1 -0.011 0.000 . . . . . A 64 ILE HG13 . 17374 1 619 . 1 1 64 64 ILE HG21 H 1 0.024 0.000 . . . . . A 64 ILE HG21 . 17374 1 620 . 1 1 64 64 ILE HG22 H 1 0.024 0.000 . . . . . A 64 ILE HG22 . 17374 1 621 . 1 1 64 64 ILE HG23 H 1 0.024 0.000 . . . . . A 64 ILE HG23 . 17374 1 622 . 1 1 64 64 ILE HD11 H 1 -0.376 0.006 . . . . . A 64 ILE HD11 . 17374 1 623 . 1 1 64 64 ILE HD12 H 1 -0.376 0.006 . . . . . A 64 ILE HD12 . 17374 1 624 . 1 1 64 64 ILE HD13 H 1 -0.376 0.006 . . . . . A 64 ILE HD13 . 17374 1 625 . 1 1 64 64 ILE C C 13 174.432 0.006 . . . . . A 64 ILE C . 17374 1 626 . 1 1 64 64 ILE CA C 13 61.086 0.077 . . . . . A 64 ILE CA . 17374 1 627 . 1 1 64 64 ILE CB C 13 37.709 0.095 . . . . . A 64 ILE CB . 17374 1 628 . 1 1 64 64 ILE CG1 C 13 26.070 0.000 . . . . . A 64 ILE CG1 . 17374 1 629 . 1 1 64 64 ILE CG2 C 13 14.726 0.000 . . . . . A 64 ILE CG2 . 17374 1 630 . 1 1 64 64 ILE CD1 C 13 12.056 0.000 . . . . . A 64 ILE CD1 . 17374 1 631 . 1 1 64 64 ILE N N 15 120.722 0.093 . . . . . A 64 ILE N . 17374 1 632 . 1 1 65 65 ASP H H 1 8.014 0.003 . . . . . A 65 ASP H . 17374 1 633 . 1 1 65 65 ASP HA H 1 4.433 0.002 . . . . . A 65 ASP HA . 17374 1 634 . 1 1 65 65 ASP HB2 H 1 2.876 0.004 . . . . . A 65 ASP HB2 . 17374 1 635 . 1 1 65 65 ASP HB3 H 1 2.533 0.002 . . . . . A 65 ASP HB3 . 17374 1 636 . 1 1 65 65 ASP C C 13 178.348 0.000 . . . . . A 65 ASP C . 17374 1 637 . 1 1 65 65 ASP CA C 13 53.701 0.080 . . . . . A 65 ASP CA . 17374 1 638 . 1 1 65 65 ASP CB C 13 40.648 0.142 . . . . . A 65 ASP CB . 17374 1 639 . 1 1 65 65 ASP N N 15 129.256 0.038 . . . . . A 65 ASP N . 17374 1 640 . 1 1 66 66 LYS H H 1 8.998 0.006 . . . . . A 66 LYS H . 17374 1 641 . 1 1 66 66 LYS HA H 1 4.225 0.005 . . . . . A 66 LYS HA . 17374 1 642 . 1 1 66 66 LYS HB2 H 1 2.114 0.003 . . . . . A 66 LYS HB2 . 17374 1 643 . 1 1 66 66 LYS HB3 H 1 1.817 0.004 . . . . . A 66 LYS HB3 . 17374 1 644 . 1 1 66 66 LYS HG2 H 1 1.132 0.001 . . . . . A 66 LYS HG2 . 17374 1 645 . 1 1 66 66 LYS HG3 H 1 1.132 0.001 . . . . . A 66 LYS HG3 . 17374 1 646 . 1 1 66 66 LYS HD2 H 1 1.440 0.001 . . . . . A 66 LYS HD2 . 17374 1 647 . 1 1 66 66 LYS HD3 H 1 1.440 0.001 . . . . . A 66 LYS HD3 . 17374 1 648 . 1 1 66 66 LYS HE2 H 1 2.797 0.000 . . . . . A 66 LYS HE2 . 17374 1 649 . 1 1 66 66 LYS HE3 H 1 2.458 0.000 . . . . . A 66 LYS HE3 . 17374 1 650 . 1 1 66 66 LYS C C 13 176.709 0.003 . . . . . A 66 LYS C . 17374 1 651 . 1 1 66 66 LYS CA C 13 56.118 0.140 . . . . . A 66 LYS CA . 17374 1 652 . 1 1 66 66 LYS CB C 13 30.127 0.184 . . . . . A 66 LYS CB . 17374 1 653 . 1 1 66 66 LYS CG C 13 22.876 0.000 . . . . . A 66 LYS CG . 17374 1 654 . 1 1 66 66 LYS CD C 13 25.946 0.000 . . . . . A 66 LYS CD . 17374 1 655 . 1 1 66 66 LYS CE C 13 41.095 0.000 . . . . . A 66 LYS CE . 17374 1 656 . 1 1 66 66 LYS N N 15 124.366 0.057 . . . . . A 66 LYS N . 17374 1 657 . 1 1 67 67 ASN H H 1 8.992 0.005 . . . . . A 67 ASN H . 17374 1 658 . 1 1 67 67 ASN HA H 1 4.722 0.008 . . . . . A 67 ASN HA . 17374 1 659 . 1 1 67 67 ASN HB2 H 1 2.815 0.009 . . . . . A 67 ASN HB2 . 17374 1 660 . 1 1 67 67 ASN HB3 H 1 2.815 0.009 . . . . . A 67 ASN HB3 . 17374 1 661 . 1 1 67 67 ASN C C 13 174.910 0.006 . . . . . A 67 ASN C . 17374 1 662 . 1 1 67 67 ASN CA C 13 53.441 0.206 . . . . . A 67 ASN CA . 17374 1 663 . 1 1 67 67 ASN CB C 13 40.172 0.146 . . . . . A 67 ASN CB . 17374 1 664 . 1 1 67 67 ASN N N 15 113.966 0.055 . . . . . A 67 ASN N . 17374 1 665 . 1 1 68 68 VAL H H 1 7.310 0.005 . . . . . A 68 VAL H . 17374 1 666 . 1 1 68 68 VAL HA H 1 4.774 0.000 . . . . . A 68 VAL HA . 17374 1 667 . 1 1 68 68 VAL HB H 1 2.102 0.000 . . . . . A 68 VAL HB . 17374 1 668 . 1 1 68 68 VAL HG11 H 1 0.993 0.000 . . . . . A 68 VAL HG11 . 17374 1 669 . 1 1 68 68 VAL HG12 H 1 0.993 0.000 . . . . . A 68 VAL HG12 . 17374 1 670 . 1 1 68 68 VAL HG13 H 1 0.993 0.000 . . . . . A 68 VAL HG13 . 17374 1 671 . 1 1 68 68 VAL HG21 H 1 0.819 0.001 . . . . . A 68 VAL HG21 . 17374 1 672 . 1 1 68 68 VAL HG22 H 1 0.819 0.001 . . . . . A 68 VAL HG22 . 17374 1 673 . 1 1 68 68 VAL HG23 H 1 0.819 0.001 . . . . . A 68 VAL HG23 . 17374 1 674 . 1 1 68 68 VAL C C 13 172.102 0.000 . . . . . A 68 VAL C . 17374 1 675 . 1 1 68 68 VAL CA C 13 57.698 0.000 . . . . . A 68 VAL CA . 17374 1 676 . 1 1 68 68 VAL CB C 13 34.152 0.000 . . . . . A 68 VAL CB . 17374 1 677 . 1 1 68 68 VAL CG1 C 13 20.787 0.004 . . . . . A 68 VAL CG1 . 17374 1 678 . 1 1 68 68 VAL CG2 C 13 18.245 0.005 . . . . . A 68 VAL CG2 . 17374 1 679 . 1 1 68 68 VAL N N 15 114.405 0.015 . . . . . A 68 VAL N . 17374 1 680 . 1 1 69 69 PRO HA H 1 4.100 0.005 . . . . . A 69 PRO HA . 17374 1 681 . 1 1 69 69 PRO HB2 H 1 1.860 0.005 . . . . . A 69 PRO HB2 . 17374 1 682 . 1 1 69 69 PRO HB3 H 1 1.860 0.005 . . . . . A 69 PRO HB3 . 17374 1 683 . 1 1 69 69 PRO HG2 H 1 1.401 0.000 . . . . . A 69 PRO HG2 . 17374 1 684 . 1 1 69 69 PRO HG3 H 1 1.086 0.005 . . . . . A 69 PRO HG3 . 17374 1 685 . 1 1 69 69 PRO HD2 H 1 2.985 0.000 . . . . . A 69 PRO HD2 . 17374 1 686 . 1 1 69 69 PRO HD3 H 1 2.985 0.000 . . . . . A 69 PRO HD3 . 17374 1 687 . 1 1 69 69 PRO C C 13 175.279 0.006 . . . . . A 69 PRO C . 17374 1 688 . 1 1 69 69 PRO CA C 13 61.736 0.085 . . . . . A 69 PRO CA . 17374 1 689 . 1 1 69 69 PRO CB C 13 30.785 0.151 . . . . . A 69 PRO CB . 17374 1 690 . 1 1 69 69 PRO CG C 13 27.465 0.000 . . . . . A 69 PRO CG . 17374 1 691 . 1 1 69 69 PRO CD C 13 49.744 0.000 . . . . . A 69 PRO CD . 17374 1 692 . 1 1 70 70 CYS H H 1 8.412 0.003 . . . . . A 70 CYS H . 17374 1 693 . 1 1 70 70 CYS HA H 1 4.748 0.008 . . . . . A 70 CYS HA . 17374 1 694 . 1 1 70 70 CYS HB2 H 1 3.525 0.004 . . . . . A 70 CYS HB2 . 17374 1 695 . 1 1 70 70 CYS HB3 H 1 3.331 0.012 . . . . . A 70 CYS HB3 . 17374 1 696 . 1 1 70 70 CYS C C 13 172.504 0.006 . . . . . A 70 CYS C . 17374 1 697 . 1 1 70 70 CYS CA C 13 57.962 0.083 . . . . . A 70 CYS CA . 17374 1 698 . 1 1 70 70 CYS CB C 13 29.506 0.194 . . . . . A 70 CYS CB . 17374 1 699 . 1 1 70 70 CYS N N 15 108.696 0.030 . . . . . A 70 CYS N . 17374 1 700 . 1 1 71 71 TYR H H 1 8.696 0.003 . . . . . A 71 TYR H . 17374 1 701 . 1 1 71 71 TYR HA H 1 5.668 0.003 . . . . . A 71 TYR HA . 17374 1 702 . 1 1 71 71 TYR HB2 H 1 2.906 0.011 . . . . . A 71 TYR HB2 . 17374 1 703 . 1 1 71 71 TYR HB3 H 1 2.906 0.011 . . . . . A 71 TYR HB3 . 17374 1 704 . 1 1 71 71 TYR C C 13 174.269 0.007 . . . . . A 71 TYR C . 17374 1 705 . 1 1 71 71 TYR CA C 13 55.854 0.120 . . . . . A 71 TYR CA . 17374 1 706 . 1 1 71 71 TYR CB C 13 40.012 0.083 . . . . . A 71 TYR CB . 17374 1 707 . 1 1 71 71 TYR N N 15 117.201 0.030 . . . . . A 71 TYR N . 17374 1 708 . 1 1 72 72 ALA H H 1 9.893 0.004 . . . . . A 72 ALA H . 17374 1 709 . 1 1 72 72 ALA HA H 1 5.504 0.003 . . . . . A 72 ALA HA . 17374 1 710 . 1 1 72 72 ALA HB1 H 1 1.500 0.007 . . . . . A 72 ALA HB1 . 17374 1 711 . 1 1 72 72 ALA HB2 H 1 1.500 0.007 . . . . . A 72 ALA HB2 . 17374 1 712 . 1 1 72 72 ALA HB3 H 1 1.500 0.007 . . . . . A 72 ALA HB3 . 17374 1 713 . 1 1 72 72 ALA C C 13 174.261 0.001 . . . . . A 72 ALA C . 17374 1 714 . 1 1 72 72 ALA CA C 13 50.722 0.166 . . . . . A 72 ALA CA . 17374 1 715 . 1 1 72 72 ALA CB C 13 21.334 0.158 . . . . . A 72 ALA CB . 17374 1 716 . 1 1 72 72 ALA N N 15 129.048 0.047 . . . . . A 72 ALA N . 17374 1 717 . 1 1 73 73 ALA H H 1 9.630 0.004 . . . . . A 73 ALA H . 17374 1 718 . 1 1 73 73 ALA HA H 1 5.946 0.005 . . . . . A 73 ALA HA . 17374 1 719 . 1 1 73 73 ALA HB1 H 1 1.462 0.006 . . . . . A 73 ALA HB1 . 17374 1 720 . 1 1 73 73 ALA HB2 H 1 1.462 0.006 . . . . . A 73 ALA HB2 . 17374 1 721 . 1 1 73 73 ALA HB3 H 1 1.462 0.006 . . . . . A 73 ALA HB3 . 17374 1 722 . 1 1 73 73 ALA C C 13 176.258 0.010 . . . . . A 73 ALA C . 17374 1 723 . 1 1 73 73 ALA CA C 13 49.963 0.215 . . . . . A 73 ALA CA . 17374 1 724 . 1 1 73 73 ALA CB C 13 21.412 0.111 . . . . . A 73 ALA CB . 17374 1 725 . 1 1 73 73 ALA N N 15 130.172 0.019 . . . . . A 73 ALA N . 17374 1 726 . 1 1 74 74 PHE H H 1 9.077 0.007 . . . . . A 74 PHE H . 17374 1 727 . 1 1 74 74 PHE HA H 1 5.091 0.005 . . . . . A 74 PHE HA . 17374 1 728 . 1 1 74 74 PHE HB2 H 1 2.351 0.005 . . . . . A 74 PHE HB2 . 17374 1 729 . 1 1 74 74 PHE HB3 H 1 2.161 0.012 . . . . . A 74 PHE HB3 . 17374 1 730 . 1 1 74 74 PHE C C 13 172.409 0.026 . . . . . A 74 PHE C . 17374 1 731 . 1 1 74 74 PHE CA C 13 55.990 0.090 . . . . . A 74 PHE CA . 17374 1 732 . 1 1 74 74 PHE CB C 13 44.200 0.091 . . . . . A 74 PHE CB . 17374 1 733 . 1 1 74 74 PHE N N 15 122.404 0.089 . . . . . A 74 PHE N . 17374 1 734 . 1 1 75 75 ASP H H 1 7.127 0.004 . . . . . A 75 ASP H . 17374 1 735 . 1 1 75 75 ASP HA H 1 4.831 0.007 . . . . . A 75 ASP HA . 17374 1 736 . 1 1 75 75 ASP HB2 H 1 2.603 0.007 . . . . . A 75 ASP HB2 . 17374 1 737 . 1 1 75 75 ASP HB3 H 1 2.169 0.010 . . . . . A 75 ASP HB3 . 17374 1 738 . 1 1 75 75 ASP C C 13 172.714 0.065 . . . . . A 75 ASP C . 17374 1 739 . 1 1 75 75 ASP CA C 13 52.854 0.084 . . . . . A 75 ASP CA . 17374 1 740 . 1 1 75 75 ASP CB C 13 39.749 0.040 . . . . . A 75 ASP CB . 17374 1 741 . 1 1 75 75 ASP N N 15 125.006 0.031 . . . . . A 75 ASP N . 17374 1 742 . 1 1 76 76 PHE H H 1 8.877 0.007 . . . . . A 76 PHE H . 17374 1 743 . 1 1 76 76 PHE HA H 1 4.333 0.004 . . . . . A 76 PHE HA . 17374 1 744 . 1 1 76 76 PHE HB2 H 1 3.877 0.003 . . . . . A 76 PHE HB2 . 17374 1 745 . 1 1 76 76 PHE HB3 H 1 2.862 0.007 . . . . . A 76 PHE HB3 . 17374 1 746 . 1 1 76 76 PHE C C 13 173.282 0.015 . . . . . A 76 PHE C . 17374 1 747 . 1 1 76 76 PHE CA C 13 58.180 0.067 . . . . . A 76 PHE CA . 17374 1 748 . 1 1 76 76 PHE CB C 13 41.451 0.179 . . . . . A 76 PHE CB . 17374 1 749 . 1 1 76 76 PHE N N 15 129.805 0.039 . . . . . A 76 PHE N . 17374 1 750 . 1 1 77 77 GLU H H 1 8.168 0.005 . . . . . A 77 GLU H . 17374 1 751 . 1 1 77 77 GLU HA H 1 5.000 0.005 . . . . . A 77 GLU HA . 17374 1 752 . 1 1 77 77 GLU HB2 H 1 2.078 0.013 . . . . . A 77 GLU HB2 . 17374 1 753 . 1 1 77 77 GLU HB3 H 1 1.851 0.001 . . . . . A 77 GLU HB3 . 17374 1 754 . 1 1 77 77 GLU C C 13 175.222 0.016 . . . . . A 77 GLU C . 17374 1 755 . 1 1 77 77 GLU CA C 13 55.020 0.064 . . . . . A 77 GLU CA . 17374 1 756 . 1 1 77 77 GLU CB C 13 30.788 0.134 . . . . . A 77 GLU CB . 17374 1 757 . 1 1 77 77 GLU CG C 13 36.723 0.000 . . . . . A 77 GLU CG . 17374 1 758 . 1 1 77 77 GLU N N 15 128.521 0.071 . . . . . A 77 GLU N . 17374 1 759 . 1 1 78 78 TYR H H 1 8.757 0.004 . . . . . A 78 TYR H . 17374 1 760 . 1 1 78 78 TYR HA H 1 4.965 0.003 . . . . . A 78 TYR HA . 17374 1 761 . 1 1 78 78 TYR HB2 H 1 2.974 0.006 . . . . . A 78 TYR HB2 . 17374 1 762 . 1 1 78 78 TYR HB3 H 1 2.974 0.006 . . . . . A 78 TYR HB3 . 17374 1 763 . 1 1 78 78 TYR C C 13 172.912 0.016 . . . . . A 78 TYR C . 17374 1 764 . 1 1 78 78 TYR CA C 13 55.296 0.124 . . . . . A 78 TYR CA . 17374 1 765 . 1 1 78 78 TYR CB C 13 38.726 0.167 . . . . . A 78 TYR CB . 17374 1 766 . 1 1 78 78 TYR N N 15 120.125 0.052 . . . . . A 78 TYR N . 17374 1 767 . 1 1 79 79 THR H H 1 8.659 0.003 . . . . . A 79 THR H . 17374 1 768 . 1 1 79 79 THR HA H 1 4.536 0.012 . . . . . A 79 THR HA . 17374 1 769 . 1 1 79 79 THR HB H 1 4.039 0.003 . . . . . A 79 THR HB . 17374 1 770 . 1 1 79 79 THR HG21 H 1 1.139 0.008 . . . . . A 79 THR HG21 . 17374 1 771 . 1 1 79 79 THR HG22 H 1 1.139 0.008 . . . . . A 79 THR HG22 . 17374 1 772 . 1 1 79 79 THR HG23 H 1 1.139 0.008 . . . . . A 79 THR HG23 . 17374 1 773 . 1 1 79 79 THR C C 13 173.671 0.025 . . . . . A 79 THR C . 17374 1 774 . 1 1 79 79 THR CA C 13 61.556 0.097 . . . . . A 79 THR CA . 17374 1 775 . 1 1 79 79 THR CB C 13 70.364 0.047 . . . . . A 79 THR CB . 17374 1 776 . 1 1 79 79 THR CG2 C 13 21.018 0.003 . . . . . A 79 THR CG2 . 17374 1 777 . 1 1 79 79 THR N N 15 114.159 0.021 . . . . . A 79 THR N . 17374 1 778 . 1 1 80 80 THR H H 1 7.661 0.005 . . . . . A 80 THR H . 17374 1 779 . 1 1 80 80 THR HA H 1 4.918 0.000 . . . . . A 80 THR HA . 17374 1 780 . 1 1 80 80 THR HG21 H 1 1.201 0.000 . . . . . A 80 THR HG21 . 17374 1 781 . 1 1 80 80 THR HG22 H 1 1.201 0.000 . . . . . A 80 THR HG22 . 17374 1 782 . 1 1 80 80 THR HG23 H 1 1.201 0.000 . . . . . A 80 THR HG23 . 17374 1 783 . 1 1 80 80 THR C C 13 175.739 0.000 . . . . . A 80 THR C . 17374 1 784 . 1 1 80 80 THR CB C 13 72.641 0.000 . . . . . A 80 THR CB . 17374 1 785 . 1 1 80 80 THR N N 15 114.207 0.052 . . . . . A 80 THR N . 17374 1 786 . 1 1 81 81 ASN HA H 1 4.468 0.000 . . . . . A 81 ASN HA . 17374 1 787 . 1 1 81 81 ASN HB2 H 1 2.834 0.004 . . . . . A 81 ASN HB2 . 17374 1 788 . 1 1 81 81 ASN HB3 H 1 2.834 0.004 . . . . . A 81 ASN HB3 . 17374 1 789 . 1 1 81 81 ASN C C 13 175.373 0.030 . . . . . A 81 ASN C . 17374 1 790 . 1 1 81 81 ASN CA C 13 55.163 0.060 . . . . . A 81 ASN CA . 17374 1 791 . 1 1 81 81 ASN CB C 13 37.248 0.186 . . . . . A 81 ASN CB . 17374 1 792 . 1 1 82 82 ASP H H 1 8.006 0.004 . . . . . A 82 ASP H . 17374 1 793 . 1 1 82 82 ASP HA H 1 4.796 0.004 . . . . . A 82 ASP HA . 17374 1 794 . 1 1 82 82 ASP HB2 H 1 2.766 0.001 . . . . . A 82 ASP HB2 . 17374 1 795 . 1 1 82 82 ASP HB3 H 1 2.308 0.005 . . . . . A 82 ASP HB3 . 17374 1 796 . 1 1 82 82 ASP C C 13 175.257 0.000 . . . . . A 82 ASP C . 17374 1 797 . 1 1 82 82 ASP CA C 13 53.687 0.116 . . . . . A 82 ASP CA . 17374 1 798 . 1 1 82 82 ASP CB C 13 41.509 0.149 . . . . . A 82 ASP CB . 17374 1 799 . 1 1 82 82 ASP N N 15 116.252 0.043 . . . . . A 82 ASP N . 17374 1 800 . 1 1 83 83 GLY H H 1 7.448 0.005 . . . . . A 83 GLY H . 17374 1 801 . 1 1 83 83 GLY HA2 H 1 3.878 0.005 . . . . . A 83 GLY HA2 . 17374 1 802 . 1 1 83 83 GLY HA3 H 1 3.878 0.005 . . . . . A 83 GLY HA3 . 17374 1 803 . 1 1 83 83 GLY C C 13 171.706 0.000 . . . . . A 83 GLY C . 17374 1 804 . 1 1 83 83 GLY CA C 13 44.046 0.000 . . . . . A 83 GLY CA . 17374 1 805 . 1 1 83 83 GLY N N 15 108.251 0.044 . . . . . A 83 GLY N . 17374 1 806 . 1 1 84 84 PRO HA H 1 4.676 0.005 . . . . . A 84 PRO HA . 17374 1 807 . 1 1 84 84 PRO HB2 H 1 1.901 0.008 . . . . . A 84 PRO HB2 . 17374 1 808 . 1 1 84 84 PRO HB3 H 1 2.239 0.003 . . . . . A 84 PRO HB3 . 17374 1 809 . 1 1 84 84 PRO HG2 H 1 1.941 0.000 . . . . . A 84 PRO HG2 . 17374 1 810 . 1 1 84 84 PRO HG3 H 1 1.941 0.000 . . . . . A 84 PRO HG3 . 17374 1 811 . 1 1 84 84 PRO HD2 H 1 3.619 0.004 . . . . . A 84 PRO HD2 . 17374 1 812 . 1 1 84 84 PRO HD3 H 1 3.619 0.004 . . . . . A 84 PRO HD3 . 17374 1 813 . 1 1 84 84 PRO C C 13 176.963 0.016 . . . . . A 84 PRO C . 17374 1 814 . 1 1 84 84 PRO CA C 13 62.823 0.087 . . . . . A 84 PRO CA . 17374 1 815 . 1 1 84 84 PRO CB C 13 31.887 0.169 . . . . . A 84 PRO CB . 17374 1 816 . 1 1 84 84 PRO CG C 13 26.384 0.000 . . . . . A 84 PRO CG . 17374 1 817 . 1 1 84 84 PRO CD C 13 49.410 0.000 . . . . . A 84 PRO CD . 17374 1 818 . 1 1 85 85 ARG H H 1 8.633 0.005 . . . . . A 85 ARG H . 17374 1 819 . 1 1 85 85 ARG HA H 1 4.505 0.010 . . . . . A 85 ARG HA . 17374 1 820 . 1 1 85 85 ARG HB2 H 1 1.385 0.025 . . . . . A 85 ARG HB2 . 17374 1 821 . 1 1 85 85 ARG HB3 H 1 0.442 0.007 . . . . . A 85 ARG HB3 . 17374 1 822 . 1 1 85 85 ARG HG2 H 1 1.351 0.000 . . . . . A 85 ARG HG2 . 17374 1 823 . 1 1 85 85 ARG HG3 H 1 1.351 0.000 . . . . . A 85 ARG HG3 . 17374 1 824 . 1 1 85 85 ARG HD2 H 1 3.295 0.004 . . . . . A 85 ARG HD2 . 17374 1 825 . 1 1 85 85 ARG HD3 H 1 3.050 0.001 . . . . . A 85 ARG HD3 . 17374 1 826 . 1 1 85 85 ARG C C 13 173.653 0.020 . . . . . A 85 ARG C . 17374 1 827 . 1 1 85 85 ARG CA C 13 53.211 0.083 . . . . . A 85 ARG CA . 17374 1 828 . 1 1 85 85 ARG CB C 13 33.828 0.203 . . . . . A 85 ARG CB . 17374 1 829 . 1 1 85 85 ARG CG C 13 26.345 0.000 . . . . . A 85 ARG CG . 17374 1 830 . 1 1 85 85 ARG CD C 13 42.160 0.000 . . . . . A 85 ARG CD . 17374 1 831 . 1 1 85 85 ARG N N 15 122.771 0.024 . . . . . A 85 ARG N . 17374 1 832 . 1 1 86 86 ASP H H 1 7.981 0.004 . . . . . A 86 ASP H . 17374 1 833 . 1 1 86 86 ASP HA H 1 5.710 0.003 . . . . . A 86 ASP HA . 17374 1 834 . 1 1 86 86 ASP HB2 H 1 2.546 0.008 . . . . . A 86 ASP HB2 . 17374 1 835 . 1 1 86 86 ASP HB3 H 1 2.546 0.008 . . . . . A 86 ASP HB3 . 17374 1 836 . 1 1 86 86 ASP C C 13 174.577 0.008 . . . . . A 86 ASP C . 17374 1 837 . 1 1 86 86 ASP CA C 13 52.506 0.172 . . . . . A 86 ASP CA . 17374 1 838 . 1 1 86 86 ASP CB C 13 43.453 0.187 . . . . . A 86 ASP CB . 17374 1 839 . 1 1 86 86 ASP N N 15 115.857 0.051 . . . . . A 86 ASP N . 17374 1 840 . 1 1 87 87 LYS H H 1 9.273 0.003 . . . . . A 87 LYS H . 17374 1 841 . 1 1 87 87 LYS HA H 1 4.568 0.009 . . . . . A 87 LYS HA . 17374 1 842 . 1 1 87 87 LYS HB2 H 1 1.906 0.006 . . . . . A 87 LYS HB2 . 17374 1 843 . 1 1 87 87 LYS HB3 H 1 1.906 0.006 . . . . . A 87 LYS HB3 . 17374 1 844 . 1 1 87 87 LYS HG2 H 1 1.578 0.000 . . . . . A 87 LYS HG2 . 17374 1 845 . 1 1 87 87 LYS HG3 H 1 1.578 0.000 . . . . . A 87 LYS HG3 . 17374 1 846 . 1 1 87 87 LYS HE2 H 1 3.130 0.004 . . . . . A 87 LYS HE2 . 17374 1 847 . 1 1 87 87 LYS HE3 H 1 3.130 0.004 . . . . . A 87 LYS HE3 . 17374 1 848 . 1 1 87 87 LYS C C 13 174.385 0.013 . . . . . A 87 LYS C . 17374 1 849 . 1 1 87 87 LYS CA C 13 54.998 0.107 . . . . . A 87 LYS CA . 17374 1 850 . 1 1 87 87 LYS CB C 13 36.472 0.056 . . . . . A 87 LYS CB . 17374 1 851 . 1 1 87 87 LYS CE C 13 41.209 0.005 . . . . . A 87 LYS CE . 17374 1 852 . 1 1 87 87 LYS N N 15 122.968 0.057 . . . . . A 87 LYS N . 17374 1 853 . 1 1 88 88 LEU H H 1 8.323 0.003 . . . . . A 88 LEU H . 17374 1 854 . 1 1 88 88 LEU HA H 1 4.680 0.010 . . . . . A 88 LEU HA . 17374 1 855 . 1 1 88 88 LEU HB2 H 1 1.026 0.010 . . . . . A 88 LEU HB2 . 17374 1 856 . 1 1 88 88 LEU HB3 H 1 1.026 0.010 . . . . . A 88 LEU HB3 . 17374 1 857 . 1 1 88 88 LEU HG H 1 0.394 0.016 . . . . . A 88 LEU HG . 17374 1 858 . 1 1 88 88 LEU HD11 H 1 -0.140 0.000 . . . . . A 88 LEU HD11 . 17374 1 859 . 1 1 88 88 LEU HD12 H 1 -0.140 0.000 . . . . . A 88 LEU HD12 . 17374 1 860 . 1 1 88 88 LEU HD13 H 1 -0.140 0.000 . . . . . A 88 LEU HD13 . 17374 1 861 . 1 1 88 88 LEU HD21 H 1 -0.179 0.000 . . . . . A 88 LEU HD21 . 17374 1 862 . 1 1 88 88 LEU HD22 H 1 -0.179 0.000 . . . . . A 88 LEU HD22 . 17374 1 863 . 1 1 88 88 LEU HD23 H 1 -0.179 0.000 . . . . . A 88 LEU HD23 . 17374 1 864 . 1 1 88 88 LEU C C 13 176.800 0.012 . . . . . A 88 LEU C . 17374 1 865 . 1 1 88 88 LEU CA C 13 54.459 0.164 . . . . . A 88 LEU CA . 17374 1 866 . 1 1 88 88 LEU CB C 13 40.109 0.060 . . . . . A 88 LEU CB . 17374 1 867 . 1 1 88 88 LEU CG C 13 25.088 0.000 . . . . . A 88 LEU CG . 17374 1 868 . 1 1 88 88 LEU CD1 C 13 21.144 0.000 . . . . . A 88 LEU CD1 . 17374 1 869 . 1 1 88 88 LEU CD2 C 13 21.144 0.000 . . . . . A 88 LEU CD2 . 17374 1 870 . 1 1 88 88 LEU N N 15 126.435 0.035 . . . . . A 88 LEU N . 17374 1 871 . 1 1 89 89 ILE H H 1 9.103 0.003 . . . . . A 89 ILE H . 17374 1 872 . 1 1 89 89 ILE HA H 1 5.494 0.008 . . . . . A 89 ILE HA . 17374 1 873 . 1 1 89 89 ILE HB H 1 1.886 0.015 . . . . . A 89 ILE HB . 17374 1 874 . 1 1 89 89 ILE HD11 H 1 0.831 0.009 . . . . . A 89 ILE HD11 . 17374 1 875 . 1 1 89 89 ILE HD12 H 1 0.831 0.009 . . . . . A 89 ILE HD12 . 17374 1 876 . 1 1 89 89 ILE HD13 H 1 0.831 0.009 . . . . . A 89 ILE HD13 . 17374 1 877 . 1 1 89 89 ILE C C 13 174.326 0.002 . . . . . A 89 ILE C . 17374 1 878 . 1 1 89 89 ILE CA C 13 58.551 0.122 . . . . . A 89 ILE CA . 17374 1 879 . 1 1 89 89 ILE CB C 13 40.623 0.000 . . . . . A 89 ILE CB . 17374 1 880 . 1 1 89 89 ILE CG1 C 13 25.861 0.000 . . . . . A 89 ILE CG1 . 17374 1 881 . 1 1 89 89 ILE CG2 C 13 16.483 0.000 . . . . . A 89 ILE CG2 . 17374 1 882 . 1 1 89 89 ILE CD1 C 13 13.759 0.000 . . . . . A 89 ILE CD1 . 17374 1 883 . 1 1 89 89 ILE N N 15 116.844 0.050 . . . . . A 89 ILE N . 17374 1 884 . 1 1 90 90 LEU H H 1 9.015 0.005 . . . . . A 90 LEU H . 17374 1 885 . 1 1 90 90 LEU HA H 1 5.177 0.011 . . . . . A 90 LEU HA . 17374 1 886 . 1 1 90 90 LEU HB2 H 1 2.057 0.011 . . . . . A 90 LEU HB2 . 17374 1 887 . 1 1 90 90 LEU HB3 H 1 1.196 0.004 . . . . . A 90 LEU HB3 . 17374 1 888 . 1 1 90 90 LEU HG H 1 1.376 0.000 . . . . . A 90 LEU HG . 17374 1 889 . 1 1 90 90 LEU HD11 H 1 0.708 0.000 . . . . . A 90 LEU HD11 . 17374 1 890 . 1 1 90 90 LEU HD12 H 1 0.708 0.000 . . . . . A 90 LEU HD12 . 17374 1 891 . 1 1 90 90 LEU HD13 H 1 0.708 0.000 . . . . . A 90 LEU HD13 . 17374 1 892 . 1 1 90 90 LEU HD21 H 1 0.708 0.000 . . . . . A 90 LEU HD21 . 17374 1 893 . 1 1 90 90 LEU HD22 H 1 0.708 0.000 . . . . . A 90 LEU HD22 . 17374 1 894 . 1 1 90 90 LEU HD23 H 1 0.708 0.000 . . . . . A 90 LEU HD23 . 17374 1 895 . 1 1 90 90 LEU C C 13 175.846 0.021 . . . . . A 90 LEU C . 17374 1 896 . 1 1 90 90 LEU CA C 13 52.921 0.124 . . . . . A 90 LEU CA . 17374 1 897 . 1 1 90 90 LEU CB C 13 43.691 0.135 . . . . . A 90 LEU CB . 17374 1 898 . 1 1 90 90 LEU CG C 13 27.348 0.000 . . . . . A 90 LEU CG . 17374 1 899 . 1 1 90 90 LEU CD1 C 13 23.705 0.000 . . . . . A 90 LEU CD1 . 17374 1 900 . 1 1 90 90 LEU CD2 C 13 22.978 0.011 . . . . . A 90 LEU CD2 . 17374 1 901 . 1 1 90 90 LEU N N 15 124.305 0.059 . . . . . A 90 LEU N . 17374 1 902 . 1 1 91 91 ILE H H 1 10.126 0.005 . . . . . A 91 ILE H . 17374 1 903 . 1 1 91 91 ILE HA H 1 5.083 0.002 . . . . . A 91 ILE HA . 17374 1 904 . 1 1 91 91 ILE HB H 1 2.216 0.006 . . . . . A 91 ILE HB . 17374 1 905 . 1 1 91 91 ILE HG13 H 1 0.873 0.000 . . . . . A 91 ILE HG13 . 17374 1 906 . 1 1 91 91 ILE HG21 H 1 0.802 0.010 . . . . . A 91 ILE HG21 . 17374 1 907 . 1 1 91 91 ILE HG22 H 1 0.802 0.010 . . . . . A 91 ILE HG22 . 17374 1 908 . 1 1 91 91 ILE HG23 H 1 0.802 0.010 . . . . . A 91 ILE HG23 . 17374 1 909 . 1 1 91 91 ILE HD11 H 1 0.748 0.000 . . . . . A 91 ILE HD11 . 17374 1 910 . 1 1 91 91 ILE HD12 H 1 0.748 0.000 . . . . . A 91 ILE HD12 . 17374 1 911 . 1 1 91 91 ILE HD13 H 1 0.748 0.000 . . . . . A 91 ILE HD13 . 17374 1 912 . 1 1 91 91 ILE C C 13 176.848 0.014 . . . . . A 91 ILE C . 17374 1 913 . 1 1 91 91 ILE CA C 13 60.232 0.000 . . . . . A 91 ILE CA . 17374 1 914 . 1 1 91 91 ILE CB C 13 39.279 0.084 . . . . . A 91 ILE CB . 17374 1 915 . 1 1 91 91 ILE CG1 C 13 27.236 0.000 . . . . . A 91 ILE CG1 . 17374 1 916 . 1 1 91 91 ILE CG2 C 13 15.422 0.000 . . . . . A 91 ILE CG2 . 17374 1 917 . 1 1 91 91 ILE CD1 C 13 12.985 0.000 . . . . . A 91 ILE CD1 . 17374 1 918 . 1 1 91 91 ILE N N 15 130.106 0.040 . . . . . A 91 ILE N . 17374 1 919 . 1 1 92 92 SER H H 1 9.313 0.005 . . . . . A 92 SER H . 17374 1 920 . 1 1 92 92 SER HA H 1 4.984 0.020 . . . . . A 92 SER HA . 17374 1 921 . 1 1 92 92 SER HB2 H 1 4.044 0.008 . . . . . A 92 SER HB2 . 17374 1 922 . 1 1 92 92 SER HB3 H 1 4.044 0.008 . . . . . A 92 SER HB3 . 17374 1 923 . 1 1 92 92 SER C C 13 173.056 0.042 . . . . . A 92 SER C . 17374 1 924 . 1 1 92 92 SER CA C 13 58.229 0.143 . . . . . A 92 SER CA . 17374 1 925 . 1 1 92 92 SER CB C 13 62.401 0.006 . . . . . A 92 SER CB . 17374 1 926 . 1 1 92 92 SER N N 15 126.729 0.048 . . . . . A 92 SER N . 17374 1 927 . 1 1 93 93 TRP H H 1 8.181 0.004 . . . . . A 93 TRP H . 17374 1 928 . 1 1 93 93 TRP HA H 1 5.325 0.007 . . . . . A 93 TRP HA . 17374 1 929 . 1 1 93 93 TRP HB2 H 1 2.689 0.008 . . . . . A 93 TRP HB2 . 17374 1 930 . 1 1 93 93 TRP HB3 H 1 3.587 0.006 . . . . . A 93 TRP HB3 . 17374 1 931 . 1 1 93 93 TRP C C 13 175.167 0.015 . . . . . A 93 TRP C . 17374 1 932 . 1 1 93 93 TRP CA C 13 54.556 0.155 . . . . . A 93 TRP CA . 17374 1 933 . 1 1 93 93 TRP CB C 13 29.938 0.067 . . . . . A 93 TRP CB . 17374 1 934 . 1 1 93 93 TRP N N 15 129.613 0.076 . . . . . A 93 TRP N . 17374 1 935 . 1 1 94 94 ASN H H 1 7.972 0.005 . . . . . A 94 ASN H . 17374 1 936 . 1 1 94 94 ASN HA H 1 4.387 0.000 . . . . . A 94 ASN HA . 17374 1 937 . 1 1 94 94 ASN HB2 H 1 2.934 0.000 . . . . . A 94 ASN HB2 . 17374 1 938 . 1 1 94 94 ASN HB3 H 1 2.684 0.000 . . . . . A 94 ASN HB3 . 17374 1 939 . 1 1 94 94 ASN C C 13 170.734 0.000 . . . . . A 94 ASN C . 17374 1 940 . 1 1 94 94 ASN N N 15 125.845 0.035 . . . . . A 94 ASN N . 17374 1 941 . 1 1 95 95 PRO HA H 1 3.387 0.006 . . . . . A 95 PRO HA . 17374 1 942 . 1 1 95 95 PRO HB2 H 1 1.582 0.007 . . . . . A 95 PRO HB2 . 17374 1 943 . 1 1 95 95 PRO HB3 H 1 1.582 0.007 . . . . . A 95 PRO HB3 . 17374 1 944 . 1 1 95 95 PRO HG2 H 1 1.217 0.000 . . . . . A 95 PRO HG2 . 17374 1 945 . 1 1 95 95 PRO HG3 H 1 1.097 0.000 . . . . . A 95 PRO HG3 . 17374 1 946 . 1 1 95 95 PRO HD2 H 1 2.629 0.000 . . . . . A 95 PRO HD2 . 17374 1 947 . 1 1 95 95 PRO HD3 H 1 2.629 0.000 . . . . . A 95 PRO HD3 . 17374 1 948 . 1 1 95 95 PRO C C 13 179.095 0.009 . . . . . A 95 PRO C . 17374 1 949 . 1 1 95 95 PRO CA C 13 61.628 0.070 . . . . . A 95 PRO CA . 17374 1 950 . 1 1 95 95 PRO CB C 13 30.862 0.138 . . . . . A 95 PRO CB . 17374 1 951 . 1 1 95 95 PRO CG C 13 25.746 0.000 . . . . . A 95 PRO CG . 17374 1 952 . 1 1 95 95 PRO CD C 13 47.766 0.000 . . . . . A 95 PRO CD . 17374 1 953 . 1 1 96 96 ASP H H 1 8.568 0.003 . . . . . A 96 ASP H . 17374 1 954 . 1 1 96 96 ASP HA H 1 4.193 0.005 . . . . . A 96 ASP HA . 17374 1 955 . 1 1 96 96 ASP HB2 H 1 2.638 0.005 . . . . . A 96 ASP HB2 . 17374 1 956 . 1 1 96 96 ASP HB3 H 1 2.638 0.005 . . . . . A 96 ASP HB3 . 17374 1 957 . 1 1 96 96 ASP C C 13 176.675 0.015 . . . . . A 96 ASP C . 17374 1 958 . 1 1 96 96 ASP CA C 13 56.716 0.139 . . . . . A 96 ASP CA . 17374 1 959 . 1 1 96 96 ASP CB C 13 40.322 0.145 . . . . . A 96 ASP CB . 17374 1 960 . 1 1 96 96 ASP N N 15 125.286 0.053 . . . . . A 96 ASP N . 17374 1 961 . 1 1 97 97 SER H H 1 7.890 0.004 . . . . . A 97 SER H . 17374 1 962 . 1 1 97 97 SER HA H 1 4.275 0.004 . . . . . A 97 SER HA . 17374 1 963 . 1 1 97 97 SER HB2 H 1 3.785 0.000 . . . . . A 97 SER HB2 . 17374 1 964 . 1 1 97 97 SER HB3 H 1 4.064 0.010 . . . . . A 97 SER HB3 . 17374 1 965 . 1 1 97 97 SER C C 13 175.122 0.029 . . . . . A 97 SER C . 17374 1 966 . 1 1 97 97 SER CA C 13 58.033 0.077 . . . . . A 97 SER CA . 17374 1 967 . 1 1 97 97 SER CB C 13 63.080 0.073 . . . . . A 97 SER CB . 17374 1 968 . 1 1 97 97 SER N N 15 110.906 0.053 . . . . . A 97 SER N . 17374 1 969 . 1 1 98 98 GLY H H 1 7.552 0.005 . . . . . A 98 GLY H . 17374 1 970 . 1 1 98 98 GLY HA2 H 1 4.063 0.004 . . . . . A 98 GLY HA2 . 17374 1 971 . 1 1 98 98 GLY HA3 H 1 3.558 0.003 . . . . . A 98 GLY HA3 . 17374 1 972 . 1 1 98 98 GLY C C 13 172.059 0.015 . . . . . A 98 GLY C . 17374 1 973 . 1 1 98 98 GLY CA C 13 44.194 0.155 . . . . . A 98 GLY CA . 17374 1 974 . 1 1 98 98 GLY N N 15 108.375 0.025 . . . . . A 98 GLY N . 17374 1 975 . 1 1 99 99 ALA H H 1 8.386 0.003 . . . . . A 99 ALA H . 17374 1 976 . 1 1 99 99 ALA HA H 1 4.577 0.000 . . . . . A 99 ALA HA . 17374 1 977 . 1 1 99 99 ALA HB1 H 1 1.518 0.009 . . . . . A 99 ALA HB1 . 17374 1 978 . 1 1 99 99 ALA HB2 H 1 1.518 0.009 . . . . . A 99 ALA HB2 . 17374 1 979 . 1 1 99 99 ALA HB3 H 1 1.518 0.009 . . . . . A 99 ALA HB3 . 17374 1 980 . 1 1 99 99 ALA C C 13 177.663 0.000 . . . . . A 99 ALA C . 17374 1 981 . 1 1 99 99 ALA CA C 13 49.424 0.212 . . . . . A 99 ALA CA . 17374 1 982 . 1 1 99 99 ALA CB C 13 17.419 0.000 . . . . . A 99 ALA CB . 17374 1 983 . 1 1 99 99 ALA N N 15 124.497 0.031 . . . . . A 99 ALA N . 17374 1 984 . 1 1 100 100 PRO HA H 1 4.113 0.000 . . . . . A 100 PRO HA . 17374 1 985 . 1 1 100 100 PRO HB2 H 1 2.015 0.004 . . . . . A 100 PRO HB2 . 17374 1 986 . 1 1 100 100 PRO HB3 H 1 2.409 0.003 . . . . . A 100 PRO HB3 . 17374 1 987 . 1 1 100 100 PRO C C 13 179.134 0.006 . . . . . A 100 PRO C . 17374 1 988 . 1 1 100 100 PRO CA C 13 66.037 0.049 . . . . . A 100 PRO CA . 17374 1 989 . 1 1 100 100 PRO CB C 13 31.807 0.145 . . . . . A 100 PRO CB . 17374 1 990 . 1 1 100 100 PRO CG C 13 26.959 0.000 . . . . . A 100 PRO CG . 17374 1 991 . 1 1 100 100 PRO CD C 13 50.323 0.000 . . . . . A 100 PRO CD . 17374 1 992 . 1 1 101 101 ARG H H 1 8.996 0.005 . . . . . A 101 ARG H . 17374 1 993 . 1 1 101 101 ARG HA H 1 4.120 0.005 . . . . . A 101 ARG HA . 17374 1 994 . 1 1 101 101 ARG HB2 H 1 1.877 0.000 . . . . . A 101 ARG HB2 . 17374 1 995 . 1 1 101 101 ARG HB3 H 1 1.877 0.000 . . . . . A 101 ARG HB3 . 17374 1 996 . 1 1 101 101 ARG HG2 H 1 1.697 0.000 . . . . . A 101 ARG HG2 . 17374 1 997 . 1 1 101 101 ARG HG3 H 1 1.697 0.000 . . . . . A 101 ARG HG3 . 17374 1 998 . 1 1 101 101 ARG HD2 H 1 3.202 0.000 . . . . . A 101 ARG HD2 . 17374 1 999 . 1 1 101 101 ARG HD3 H 1 3.202 0.000 . . . . . A 101 ARG HD3 . 17374 1 1000 . 1 1 101 101 ARG C C 13 179.198 0.014 . . . . . A 101 ARG C . 17374 1 1001 . 1 1 101 101 ARG CA C 13 59.295 0.137 . . . . . A 101 ARG CA . 17374 1 1002 . 1 1 101 101 ARG CB C 13 28.892 0.056 . . . . . A 101 ARG CB . 17374 1 1003 . 1 1 101 101 ARG CG C 13 26.766 0.000 . . . . . A 101 ARG CG . 17374 1 1004 . 1 1 101 101 ARG CD C 13 42.665 0.000 . . . . . A 101 ARG CD . 17374 1 1005 . 1 1 101 101 ARG N N 15 116.782 0.064 . . . . . A 101 ARG N . 17374 1 1006 . 1 1 102 102 THR H H 1 7.177 0.003 . . . . . A 102 THR H . 17374 1 1007 . 1 1 102 102 THR HA H 1 4.286 0.003 . . . . . A 102 THR HA . 17374 1 1008 . 1 1 102 102 THR HB H 1 4.094 0.005 . . . . . A 102 THR HB . 17374 1 1009 . 1 1 102 102 THR HG21 H 1 1.393 0.000 . . . . . A 102 THR HG21 . 17374 1 1010 . 1 1 102 102 THR HG22 H 1 1.393 0.000 . . . . . A 102 THR HG22 . 17374 1 1011 . 1 1 102 102 THR HG23 H 1 1.393 0.000 . . . . . A 102 THR HG23 . 17374 1 1012 . 1 1 102 102 THR C C 13 175.705 0.016 . . . . . A 102 THR C . 17374 1 1013 . 1 1 102 102 THR CA C 13 65.525 0.085 . . . . . A 102 THR CA . 17374 1 1014 . 1 1 102 102 THR CB C 13 68.124 0.090 . . . . . A 102 THR CB . 17374 1 1015 . 1 1 102 102 THR CG2 C 13 22.361 0.000 . . . . . A 102 THR CG2 . 17374 1 1016 . 1 1 102 102 THR N N 15 117.497 0.028 . . . . . A 102 THR N . 17374 1 1017 . 1 1 103 103 LYS H H 1 8.201 0.004 . . . . . A 103 LYS H . 17374 1 1018 . 1 1 103 103 LYS HA H 1 4.362 0.003 . . . . . A 103 LYS HA . 17374 1 1019 . 1 1 103 103 LYS HB2 H 1 1.769 0.006 . . . . . A 103 LYS HB2 . 17374 1 1020 . 1 1 103 103 LYS HB3 H 1 1.769 0.006 . . . . . A 103 LYS HB3 . 17374 1 1021 . 1 1 103 103 LYS HG2 H 1 1.493 0.007 . . . . . A 103 LYS HG2 . 17374 1 1022 . 1 1 103 103 LYS HG3 H 1 1.257 0.002 . . . . . A 103 LYS HG3 . 17374 1 1023 . 1 1 103 103 LYS C C 13 180.299 0.036 . . . . . A 103 LYS C . 17374 1 1024 . 1 1 103 103 LYS CA C 13 59.212 0.001 . . . . . A 103 LYS CA . 17374 1 1025 . 1 1 103 103 LYS CB C 13 31.888 0.068 . . . . . A 103 LYS CB . 17374 1 1026 . 1 1 103 103 LYS CG C 13 23.183 0.000 . . . . . A 103 LYS CG . 17374 1 1027 . 1 1 103 103 LYS CD C 13 29.172 0.000 . . . . . A 103 LYS CD . 17374 1 1028 . 1 1 103 103 LYS CE C 13 40.779 0.000 . . . . . A 103 LYS CE . 17374 1 1029 . 1 1 103 103 LYS N N 15 123.323 0.057 . . . . . A 103 LYS N . 17374 1 1030 . 1 1 104 104 MET H H 1 8.020 0.004 . . . . . A 104 MET H . 17374 1 1031 . 1 1 104 104 MET HA H 1 4.317 0.007 . . . . . A 104 MET HA . 17374 1 1032 . 1 1 104 104 MET HB2 H 1 2.634 0.006 . . . . . A 104 MET HB2 . 17374 1 1033 . 1 1 104 104 MET HB3 H 1 2.141 0.007 . . . . . A 104 MET HB3 . 17374 1 1034 . 1 1 104 104 MET C C 13 178.579 0.022 . . . . . A 104 MET C . 17374 1 1035 . 1 1 104 104 MET CA C 13 57.483 0.084 . . . . . A 104 MET CA . 17374 1 1036 . 1 1 104 104 MET CB C 13 31.378 0.173 . . . . . A 104 MET CB . 17374 1 1037 . 1 1 104 104 MET N N 15 117.500 0.147 . . . . . A 104 MET N . 17374 1 1038 . 1 1 105 105 LEU H H 1 7.868 0.036 . . . . . A 105 LEU H . 17374 1 1039 . 1 1 105 105 LEU HA H 1 4.135 0.005 . . . . . A 105 LEU HA . 17374 1 1040 . 1 1 105 105 LEU HB2 H 1 2.127 0.010 . . . . . A 105 LEU HB2 . 17374 1 1041 . 1 1 105 105 LEU HB3 H 1 1.702 0.013 . . . . . A 105 LEU HB3 . 17374 1 1042 . 1 1 105 105 LEU HD11 H 1 1.151 0.005 . . . . . A 105 LEU HD11 . 17374 1 1043 . 1 1 105 105 LEU HD12 H 1 1.151 0.005 . . . . . A 105 LEU HD12 . 17374 1 1044 . 1 1 105 105 LEU HD13 H 1 1.151 0.005 . . . . . A 105 LEU HD13 . 17374 1 1045 . 1 1 105 105 LEU HD21 H 1 0.778 0.005 . . . . . A 105 LEU HD21 . 17374 1 1046 . 1 1 105 105 LEU HD22 H 1 0.778 0.005 . . . . . A 105 LEU HD22 . 17374 1 1047 . 1 1 105 105 LEU HD23 H 1 0.778 0.005 . . . . . A 105 LEU HD23 . 17374 1 1048 . 1 1 105 105 LEU C C 13 179.935 0.041 . . . . . A 105 LEU C . 17374 1 1049 . 1 1 105 105 LEU CA C 13 57.940 0.043 . . . . . A 105 LEU CA . 17374 1 1050 . 1 1 105 105 LEU CB C 13 41.220 0.157 . . . . . A 105 LEU CB . 17374 1 1051 . 1 1 105 105 LEU CG C 13 25.476 0.000 . . . . . A 105 LEU CG . 17374 1 1052 . 1 1 105 105 LEU CD1 C 13 21.962 0.000 . . . . . A 105 LEU CD1 . 17374 1 1053 . 1 1 105 105 LEU CD2 C 13 21.962 0.000 . . . . . A 105 LEU CD2 . 17374 1 1054 . 1 1 105 105 LEU N N 15 123.188 0.081 . . . . . A 105 LEU N . 17374 1 1055 . 1 1 106 106 TYR H H 1 8.268 0.003 . . . . . A 106 TYR H . 17374 1 1056 . 1 1 106 106 TYR HA H 1 4.166 0.009 . . . . . A 106 TYR HA . 17374 1 1057 . 1 1 106 106 TYR HB2 H 1 2.835 0.007 . . . . . A 106 TYR HB2 . 17374 1 1058 . 1 1 106 106 TYR HB3 H 1 2.835 0.007 . . . . . A 106 TYR HB3 . 17374 1 1059 . 1 1 106 106 TYR C C 13 180.793 0.014 . . . . . A 106 TYR C . 17374 1 1060 . 1 1 106 106 TYR CA C 13 61.142 0.101 . . . . . A 106 TYR CA . 17374 1 1061 . 1 1 106 106 TYR CB C 13 36.992 0.184 . . . . . A 106 TYR CB . 17374 1 1062 . 1 1 106 106 TYR N N 15 118.424 0.066 . . . . . A 106 TYR N . 17374 1 1063 . 1 1 107 107 SER H H 1 8.564 0.006 . . . . . A 107 SER H . 17374 1 1064 . 1 1 107 107 SER HA H 1 4.396 0.004 . . . . . A 107 SER HA . 17374 1 1065 . 1 1 107 107 SER HB2 H 1 3.967 0.000 . . . . . A 107 SER HB2 . 17374 1 1066 . 1 1 107 107 SER HB3 H 1 3.967 0.000 . . . . . A 107 SER HB3 . 17374 1 1067 . 1 1 107 107 SER C C 13 177.361 0.000 . . . . . A 107 SER C . 17374 1 1068 . 1 1 107 107 SER CA C 13 55.557 0.112 . . . . . A 107 SER CA . 17374 1 1069 . 1 1 107 107 SER CB C 13 62.031 0.057 . . . . . A 107 SER CB . 17374 1 1070 . 1 1 107 107 SER N N 15 118.591 0.111 . . . . . A 107 SER N . 17374 1 1071 . 1 1 108 108 SER H H 1 8.610 0.005 . . . . . A 108 SER H . 17374 1 1072 . 1 1 108 108 SER HA H 1 3.978 0.001 . . . . . A 108 SER HA . 17374 1 1073 . 1 1 108 108 SER HB2 H 1 4.351 0.007 . . . . . A 108 SER HB2 . 17374 1 1074 . 1 1 108 108 SER HB3 H 1 4.351 0.007 . . . . . A 108 SER HB3 . 17374 1 1075 . 1 1 108 108 SER C C 13 176.366 0.000 . . . . . A 108 SER C . 17374 1 1076 . 1 1 108 108 SER CA C 13 60.831 0.161 . . . . . A 108 SER CA . 17374 1 1077 . 1 1 108 108 SER CB C 13 63.053 0.081 . . . . . A 108 SER CB . 17374 1 1078 . 1 1 108 108 SER N N 15 116.495 0.073 . . . . . A 108 SER N . 17374 1 1079 . 1 1 109 109 SER H H 1 7.385 0.005 . . . . . A 109 SER H . 17374 1 1080 . 1 1 109 109 SER HA H 1 4.513 0.009 . . . . . A 109 SER HA . 17374 1 1081 . 1 1 109 109 SER HB2 H 1 3.668 0.001 . . . . . A 109 SER HB2 . 17374 1 1082 . 1 1 109 109 SER HB3 H 1 3.668 0.001 . . . . . A 109 SER HB3 . 17374 1 1083 . 1 1 109 109 SER C C 13 173.197 0.002 . . . . . A 109 SER C . 17374 1 1084 . 1 1 109 109 SER CA C 13 59.538 0.095 . . . . . A 109 SER CA . 17374 1 1085 . 1 1 109 109 SER CB C 13 63.008 0.043 . . . . . A 109 SER CB . 17374 1 1086 . 1 1 109 109 SER N N 15 114.677 0.022 . . . . . A 109 SER N . 17374 1 1087 . 1 1 110 110 ARG H H 1 6.964 0.005 . . . . . A 110 ARG H . 17374 1 1088 . 1 1 110 110 ARG HA H 1 3.527 0.013 . . . . . A 110 ARG HA . 17374 1 1089 . 1 1 110 110 ARG HB2 H 1 2.092 0.007 . . . . . A 110 ARG HB2 . 17374 1 1090 . 1 1 110 110 ARG HB3 H 1 1.937 0.003 . . . . . A 110 ARG HB3 . 17374 1 1091 . 1 1 110 110 ARG HG2 H 1 1.728 0.001 . . . . . A 110 ARG HG2 . 17374 1 1092 . 1 1 110 110 ARG HG3 H 1 1.728 0.001 . . . . . A 110 ARG HG3 . 17374 1 1093 . 1 1 110 110 ARG HD2 H 1 3.270 0.000 . . . . . A 110 ARG HD2 . 17374 1 1094 . 1 1 110 110 ARG HD3 H 1 3.270 0.000 . . . . . A 110 ARG HD3 . 17374 1 1095 . 1 1 110 110 ARG C C 13 178.048 0.003 . . . . . A 110 ARG C . 17374 1 1096 . 1 1 110 110 ARG CA C 13 58.455 0.134 . . . . . A 110 ARG CA . 17374 1 1097 . 1 1 110 110 ARG CB C 13 29.663 0.166 . . . . . A 110 ARG CB . 17374 1 1098 . 1 1 110 110 ARG CG C 13 25.947 0.000 . . . . . A 110 ARG CG . 17374 1 1099 . 1 1 110 110 ARG CD C 13 42.364 0.000 . . . . . A 110 ARG CD . 17374 1 1100 . 1 1 110 110 ARG N N 15 120.235 0.028 . . . . . A 110 ARG N . 17374 1 1101 . 1 1 111 111 ASP H H 1 8.127 0.003 . . . . . A 111 ASP H . 17374 1 1102 . 1 1 111 111 ASP HA H 1 4.400 0.006 . . . . . A 111 ASP HA . 17374 1 1103 . 1 1 111 111 ASP HB2 H 1 2.623 0.004 . . . . . A 111 ASP HB2 . 17374 1 1104 . 1 1 111 111 ASP HB3 H 1 2.623 0.004 . . . . . A 111 ASP HB3 . 17374 1 1105 . 1 1 111 111 ASP C C 13 178.351 0.035 . . . . . A 111 ASP C . 17374 1 1106 . 1 1 111 111 ASP CA C 13 56.428 0.187 . . . . . A 111 ASP CA . 17374 1 1107 . 1 1 111 111 ASP CB C 13 39.610 0.060 . . . . . A 111 ASP CB . 17374 1 1108 . 1 1 111 111 ASP N N 15 117.076 0.074 . . . . . A 111 ASP N . 17374 1 1109 . 1 1 112 112 ALA H H 1 7.741 0.004 . . . . . A 112 ALA H . 17374 1 1110 . 1 1 112 112 ALA HA H 1 4.027 0.003 . . . . . A 112 ALA HA . 17374 1 1111 . 1 1 112 112 ALA HB1 H 1 1.268 0.007 . . . . . A 112 ALA HB1 . 17374 1 1112 . 1 1 112 112 ALA HB2 H 1 1.268 0.007 . . . . . A 112 ALA HB2 . 17374 1 1113 . 1 1 112 112 ALA HB3 H 1 1.268 0.007 . . . . . A 112 ALA HB3 . 17374 1 1114 . 1 1 112 112 ALA C C 13 178.326 0.008 . . . . . A 112 ALA C . 17374 1 1115 . 1 1 112 112 ALA CA C 13 54.073 0.175 . . . . . A 112 ALA CA . 17374 1 1116 . 1 1 112 112 ALA CB C 13 17.700 0.046 . . . . . A 112 ALA CB . 17374 1 1117 . 1 1 112 112 ALA N N 15 123.029 0.073 . . . . . A 112 ALA N . 17374 1 1118 . 1 1 113 113 LEU H H 1 7.242 0.004 . . . . . A 113 LEU H . 17374 1 1119 . 1 1 113 113 LEU HA H 1 4.039 0.005 . . . . . A 113 LEU HA . 17374 1 1120 . 1 1 113 113 LEU HB2 H 1 1.432 0.011 . . . . . A 113 LEU HB2 . 17374 1 1121 . 1 1 113 113 LEU HB3 H 1 1.117 0.017 . . . . . A 113 LEU HB3 . 17374 1 1122 . 1 1 113 113 LEU HD11 H 1 0.253 0.008 . . . . . A 113 LEU HD11 . 17374 1 1123 . 1 1 113 113 LEU HD12 H 1 0.253 0.008 . . . . . A 113 LEU HD12 . 17374 1 1124 . 1 1 113 113 LEU HD13 H 1 0.253 0.008 . . . . . A 113 LEU HD13 . 17374 1 1125 . 1 1 113 113 LEU HD21 H 1 0.566 0.003 . . . . . A 113 LEU HD21 . 17374 1 1126 . 1 1 113 113 LEU HD22 H 1 0.566 0.003 . . . . . A 113 LEU HD22 . 17374 1 1127 . 1 1 113 113 LEU HD23 H 1 0.566 0.003 . . . . . A 113 LEU HD23 . 17374 1 1128 . 1 1 113 113 LEU C C 13 179.811 0.034 . . . . . A 113 LEU C . 17374 1 1129 . 1 1 113 113 LEU CA C 13 54.265 0.142 . . . . . A 113 LEU CA . 17374 1 1130 . 1 1 113 113 LEU CB C 13 42.734 0.047 . . . . . A 113 LEU CB . 17374 1 1131 . 1 1 113 113 LEU CG C 13 26.386 0.000 . . . . . A 113 LEU CG . 17374 1 1132 . 1 1 113 113 LEU CD1 C 13 24.496 0.000 . . . . . A 113 LEU CD1 . 17374 1 1133 . 1 1 113 113 LEU CD2 C 13 22.488 0.000 . . . . . A 113 LEU CD2 . 17374 1 1134 . 1 1 113 113 LEU N N 15 110.928 0.030 . . . . . A 113 LEU N . 17374 1 1135 . 1 1 114 114 VAL H H 1 7.485 0.004 . . . . . A 114 VAL H . 17374 1 1136 . 1 1 114 114 VAL HA H 1 3.577 0.000 . . . . . A 114 VAL HA . 17374 1 1137 . 1 1 114 114 VAL HB H 1 2.289 0.000 . . . . . A 114 VAL HB . 17374 1 1138 . 1 1 114 114 VAL HG11 H 1 1.057 0.001 . . . . . A 114 VAL HG11 . 17374 1 1139 . 1 1 114 114 VAL HG12 H 1 1.057 0.001 . . . . . A 114 VAL HG12 . 17374 1 1140 . 1 1 114 114 VAL HG13 H 1 1.057 0.001 . . . . . A 114 VAL HG13 . 17374 1 1141 . 1 1 114 114 VAL HG21 H 1 0.870 0.001 . . . . . A 114 VAL HG21 . 17374 1 1142 . 1 1 114 114 VAL HG22 H 1 0.870 0.001 . . . . . A 114 VAL HG22 . 17374 1 1143 . 1 1 114 114 VAL HG23 H 1 0.870 0.001 . . . . . A 114 VAL HG23 . 17374 1 1144 . 1 1 114 114 VAL C C 13 175.825 0.000 . . . . . A 114 VAL C . 17374 1 1145 . 1 1 114 114 VAL CA C 13 68.042 0.000 . . . . . A 114 VAL CA . 17374 1 1146 . 1 1 114 114 VAL CB C 13 29.089 0.000 . . . . . A 114 VAL CB . 17374 1 1147 . 1 1 114 114 VAL CG1 C 13 22.944 0.009 . . . . . A 114 VAL CG1 . 17374 1 1148 . 1 1 114 114 VAL CG2 C 13 19.786 0.009 . . . . . A 114 VAL CG2 . 17374 1 1149 . 1 1 114 114 VAL N N 15 124.208 0.037 . . . . . A 114 VAL N . 17374 1 1150 . 1 1 115 115 PRO HA H 1 4.420 0.003 . . . . . A 115 PRO HA . 17374 1 1151 . 1 1 115 115 PRO HB2 H 1 1.711 0.008 . . . . . A 115 PRO HB2 . 17374 1 1152 . 1 1 115 115 PRO HB3 H 1 2.359 0.006 . . . . . A 115 PRO HB3 . 17374 1 1153 . 1 1 115 115 PRO HG2 H 1 1.914 0.003 . . . . . A 115 PRO HG2 . 17374 1 1154 . 1 1 115 115 PRO HG3 H 1 1.914 0.003 . . . . . A 115 PRO HG3 . 17374 1 1155 . 1 1 115 115 PRO HD2 H 1 3.560 0.004 . . . . . A 115 PRO HD2 . 17374 1 1156 . 1 1 115 115 PRO HD3 H 1 3.560 0.004 . . . . . A 115 PRO HD3 . 17374 1 1157 . 1 1 115 115 PRO C C 13 177.338 0.059 . . . . . A 115 PRO C . 17374 1 1158 . 1 1 115 115 PRO CA C 13 64.986 0.034 . . . . . A 115 PRO CA . 17374 1 1159 . 1 1 115 115 PRO CB C 13 30.766 0.162 . . . . . A 115 PRO CB . 17374 1 1160 . 1 1 115 115 PRO CG C 13 27.398 0.000 . . . . . A 115 PRO CG . 17374 1 1161 . 1 1 115 115 PRO CD C 13 49.469 0.000 . . . . . A 115 PRO CD . 17374 1 1162 . 1 1 116 116 LEU H H 1 7.015 0.005 . . . . . A 116 LEU H . 17374 1 1163 . 1 1 116 116 LEU HA H 1 4.505 0.007 . . . . . A 116 LEU HA . 17374 1 1164 . 1 1 116 116 LEU HB2 H 1 1.656 0.000 . . . . . A 116 LEU HB2 . 17374 1 1165 . 1 1 116 116 LEU HB3 H 1 1.506 0.000 . . . . . A 116 LEU HB3 . 17374 1 1166 . 1 1 116 116 LEU HG H 1 1.554 0.001 . . . . . A 116 LEU HG . 17374 1 1167 . 1 1 116 116 LEU HD11 H 1 0.859 0.010 . . . . . A 116 LEU HD11 . 17374 1 1168 . 1 1 116 116 LEU HD12 H 1 0.859 0.010 . . . . . A 116 LEU HD12 . 17374 1 1169 . 1 1 116 116 LEU HD13 H 1 0.859 0.010 . . . . . A 116 LEU HD13 . 17374 1 1170 . 1 1 116 116 LEU HD21 H 1 0.868 0.001 . . . . . A 116 LEU HD21 . 17374 1 1171 . 1 1 116 116 LEU HD22 H 1 0.868 0.001 . . . . . A 116 LEU HD22 . 17374 1 1172 . 1 1 116 116 LEU HD23 H 1 0.868 0.001 . . . . . A 116 LEU HD23 . 17374 1 1173 . 1 1 116 116 LEU C C 13 177.564 0.031 . . . . . A 116 LEU C . 17374 1 1174 . 1 1 116 116 LEU CA C 13 54.555 0.145 . . . . . A 116 LEU CA . 17374 1 1175 . 1 1 116 116 LEU CB C 13 43.821 0.079 . . . . . A 116 LEU CB . 17374 1 1176 . 1 1 116 116 LEU CG C 13 26.741 0.000 . . . . . A 116 LEU CG . 17374 1 1177 . 1 1 116 116 LEU CD1 C 13 25.878 0.000 . . . . . A 116 LEU CD1 . 17374 1 1178 . 1 1 116 116 LEU CD2 C 13 23.115 0.000 . . . . . A 116 LEU CD2 . 17374 1 1179 . 1 1 116 116 LEU N N 15 114.225 0.041 . . . . . A 116 LEU N . 17374 1 1180 . 1 1 117 117 THR H H 1 7.370 0.005 . . . . . A 117 THR H . 17374 1 1181 . 1 1 117 117 THR HA H 1 4.074 0.005 . . . . . A 117 THR HA . 17374 1 1182 . 1 1 117 117 THR HB H 1 3.787 0.009 . . . . . A 117 THR HB . 17374 1 1183 . 1 1 117 117 THR HG21 H 1 0.297 0.004 . . . . . A 117 THR HG21 . 17374 1 1184 . 1 1 117 117 THR HG22 H 1 0.297 0.004 . . . . . A 117 THR HG22 . 17374 1 1185 . 1 1 117 117 THR HG23 H 1 0.297 0.004 . . . . . A 117 THR HG23 . 17374 1 1186 . 1 1 117 117 THR C C 13 174.596 0.007 . . . . . A 117 THR C . 17374 1 1187 . 1 1 117 117 THR CA C 13 59.125 0.072 . . . . . A 117 THR CA . 17374 1 1188 . 1 1 117 117 THR CB C 13 67.715 0.006 . . . . . A 117 THR CB . 17374 1 1189 . 1 1 117 117 THR CG2 C 13 20.654 0.000 . . . . . A 117 THR CG2 . 17374 1 1190 . 1 1 117 117 THR N N 15 107.013 0.026 . . . . . A 117 THR N . 17374 1 1191 . 1 1 118 118 GLN H H 1 8.407 0.004 . . . . . A 118 GLN H . 17374 1 1192 . 1 1 118 118 GLN HA H 1 4.288 0.008 . . . . . A 118 GLN HA . 17374 1 1193 . 1 1 118 118 GLN HB2 H 1 2.084 0.004 . . . . . A 118 GLN HB2 . 17374 1 1194 . 1 1 118 118 GLN HB3 H 1 2.084 0.004 . . . . . A 118 GLN HB3 . 17374 1 1195 . 1 1 118 118 GLN HG2 H 1 2.430 0.000 . . . . . A 118 GLN HG2 . 17374 1 1196 . 1 1 118 118 GLN HG3 H 1 2.430 0.000 . . . . . A 118 GLN HG3 . 17374 1 1197 . 1 1 118 118 GLN C C 13 178.458 0.013 . . . . . A 118 GLN C . 17374 1 1198 . 1 1 118 118 GLN CA C 13 57.828 0.127 . . . . . A 118 GLN CA . 17374 1 1199 . 1 1 118 118 GLN CB C 13 27.399 0.091 . . . . . A 118 GLN CB . 17374 1 1200 . 1 1 118 118 GLN CG C 13 33.189 0.000 . . . . . A 118 GLN CG . 17374 1 1201 . 1 1 118 118 GLN N N 15 123.692 0.088 . . . . . A 118 GLN N . 17374 1 1202 . 1 1 119 119 GLY H H 1 9.199 0.006 . . . . . A 119 GLY H . 17374 1 1203 . 1 1 119 119 GLY HA2 H 1 4.440 0.005 . . . . . A 119 GLY HA2 . 17374 1 1204 . 1 1 119 119 GLY HA3 H 1 3.737 0.004 . . . . . A 119 GLY HA3 . 17374 1 1205 . 1 1 119 119 GLY C C 13 174.599 0.008 . . . . . A 119 GLY C . 17374 1 1206 . 1 1 119 119 GLY CA C 13 45.198 0.087 . . . . . A 119 GLY CA . 17374 1 1207 . 1 1 119 119 GLY N N 15 113.663 0.036 . . . . . A 119 GLY N . 17374 1 1208 . 1 1 120 120 PHE H H 1 8.259 0.003 . . . . . A 120 PHE H . 17374 1 1209 . 1 1 120 120 PHE HA H 1 4.776 0.007 . . . . . A 120 PHE HA . 17374 1 1210 . 1 1 120 120 PHE HB2 H 1 3.579 0.004 . . . . . A 120 PHE HB2 . 17374 1 1211 . 1 1 120 120 PHE HB3 H 1 2.347 0.005 . . . . . A 120 PHE HB3 . 17374 1 1212 . 1 1 120 120 PHE C C 13 176.615 0.009 . . . . . A 120 PHE C . 17374 1 1213 . 1 1 120 120 PHE CA C 13 55.859 0.105 . . . . . A 120 PHE CA . 17374 1 1214 . 1 1 120 120 PHE CB C 13 38.981 0.040 . . . . . A 120 PHE CB . 17374 1 1215 . 1 1 120 120 PHE N N 15 119.844 0.062 . . . . . A 120 PHE N . 17374 1 1216 . 1 1 121 121 GLN H H 1 9.171 0.004 . . . . . A 121 GLN H . 17374 1 1217 . 1 1 121 121 GLN HA H 1 4.503 0.003 . . . . . A 121 GLN HA . 17374 1 1218 . 1 1 121 121 GLN HB2 H 1 2.022 0.008 . . . . . A 121 GLN HB2 . 17374 1 1219 . 1 1 121 121 GLN HB3 H 1 2.022 0.008 . . . . . A 121 GLN HB3 . 17374 1 1220 . 1 1 121 121 GLN HG2 H 1 2.359 0.004 . . . . . A 121 GLN HG2 . 17374 1 1221 . 1 1 121 121 GLN HG3 H 1 2.359 0.004 . . . . . A 121 GLN HG3 . 17374 1 1222 . 1 1 121 121 GLN C C 13 175.774 0.013 . . . . . A 121 GLN C . 17374 1 1223 . 1 1 121 121 GLN CA C 13 55.153 0.158 . . . . . A 121 GLN CA . 17374 1 1224 . 1 1 121 121 GLN CB C 13 28.703 0.025 . . . . . A 121 GLN CB . 17374 1 1225 . 1 1 121 121 GLN CG C 13 32.117 0.000 . . . . . A 121 GLN CG . 17374 1 1226 . 1 1 121 121 GLN N N 15 124.916 0.038 . . . . . A 121 GLN N . 17374 1 1227 . 1 1 122 122 GLY H H 1 9.242 0.002 . . . . . A 122 GLY H . 17374 1 1228 . 1 1 122 122 GLY HA2 H 1 4.784 0.003 . . . . . A 122 GLY HA2 . 17374 1 1229 . 1 1 122 122 GLY HA3 H 1 3.663 0.004 . . . . . A 122 GLY HA3 . 17374 1 1230 . 1 1 122 122 GLY C C 13 173.520 0.012 . . . . . A 122 GLY C . 17374 1 1231 . 1 1 122 122 GLY CA C 13 45.642 0.133 . . . . . A 122 GLY CA . 17374 1 1232 . 1 1 122 122 GLY N N 15 118.342 0.077 . . . . . A 122 GLY N . 17374 1 1233 . 1 1 123 123 ILE H H 1 8.702 0.008 . . . . . A 123 ILE H . 17374 1 1234 . 1 1 123 123 ILE HA H 1 4.380 0.005 . . . . . A 123 ILE HA . 17374 1 1235 . 1 1 123 123 ILE HB H 1 1.587 0.003 . . . . . A 123 ILE HB . 17374 1 1236 . 1 1 123 123 ILE HG12 H 1 1.426 0.002 . . . . . A 123 ILE HG12 . 17374 1 1237 . 1 1 123 123 ILE HG13 H 1 1.121 0.006 . . . . . A 123 ILE HG13 . 17374 1 1238 . 1 1 123 123 ILE HG21 H 1 0.846 0.000 . . . . . A 123 ILE HG21 . 17374 1 1239 . 1 1 123 123 ILE HG22 H 1 0.846 0.000 . . . . . A 123 ILE HG22 . 17374 1 1240 . 1 1 123 123 ILE HG23 H 1 0.846 0.000 . . . . . A 123 ILE HG23 . 17374 1 1241 . 1 1 123 123 ILE HD11 H 1 0.703 0.000 . . . . . A 123 ILE HD11 . 17374 1 1242 . 1 1 123 123 ILE HD12 H 1 0.703 0.000 . . . . . A 123 ILE HD12 . 17374 1 1243 . 1 1 123 123 ILE HD13 H 1 0.703 0.000 . . . . . A 123 ILE HD13 . 17374 1 1244 . 1 1 123 123 ILE C C 13 173.962 0.024 . . . . . A 123 ILE C . 17374 1 1245 . 1 1 123 123 ILE CA C 13 59.823 0.143 . . . . . A 123 ILE CA . 17374 1 1246 . 1 1 123 123 ILE CB C 13 41.725 0.204 . . . . . A 123 ILE CB . 17374 1 1247 . 1 1 123 123 ILE CG1 C 13 26.936 0.000 . . . . . A 123 ILE CG1 . 17374 1 1248 . 1 1 123 123 ILE CG2 C 13 16.399 0.000 . . . . . A 123 ILE CG2 . 17374 1 1249 . 1 1 123 123 ILE CD1 C 13 12.443 0.000 . . . . . A 123 ILE CD1 . 17374 1 1250 . 1 1 123 123 ILE N N 15 126.991 0.069 . . . . . A 123 ILE N . 17374 1 1251 . 1 1 124 124 GLN H H 1 9.005 0.004 . . . . . A 124 GLN H . 17374 1 1252 . 1 1 124 124 GLN HA H 1 4.779 0.011 . . . . . A 124 GLN HA . 17374 1 1253 . 1 1 124 124 GLN HB2 H 1 2.117 0.004 . . . . . A 124 GLN HB2 . 17374 1 1254 . 1 1 124 124 GLN HB3 H 1 2.117 0.004 . . . . . A 124 GLN HB3 . 17374 1 1255 . 1 1 124 124 GLN HG2 H 1 2.407 0.006 . . . . . A 124 GLN HG2 . 17374 1 1256 . 1 1 124 124 GLN HG3 H 1 2.407 0.006 . . . . . A 124 GLN HG3 . 17374 1 1257 . 1 1 124 124 GLN C C 13 174.871 0.004 . . . . . A 124 GLN C . 17374 1 1258 . 1 1 124 124 GLN CA C 13 54.904 0.105 . . . . . A 124 GLN CA . 17374 1 1259 . 1 1 124 124 GLN CB C 13 29.993 0.097 . . . . . A 124 GLN CB . 17374 1 1260 . 1 1 124 124 GLN CG C 13 33.492 0.000 . . . . . A 124 GLN CG . 17374 1 1261 . 1 1 124 124 GLN N N 15 128.006 0.068 . . . . . A 124 GLN N . 17374 1 1262 . 1 1 125 125 ALA H H 1 8.193 0.003 . . . . . A 125 ALA H . 17374 1 1263 . 1 1 125 125 ALA HA H 1 4.807 0.011 . . . . . A 125 ALA HA . 17374 1 1264 . 1 1 125 125 ALA HB1 H 1 1.435 0.003 . . . . . A 125 ALA HB1 . 17374 1 1265 . 1 1 125 125 ALA HB2 H 1 1.435 0.003 . . . . . A 125 ALA HB2 . 17374 1 1266 . 1 1 125 125 ALA HB3 H 1 1.435 0.003 . . . . . A 125 ALA HB3 . 17374 1 1267 . 1 1 125 125 ALA C C 13 173.890 0.022 . . . . . A 125 ALA C . 17374 1 1268 . 1 1 125 125 ALA CA C 13 51.642 0.117 . . . . . A 125 ALA CA . 17374 1 1269 . 1 1 125 125 ALA CB C 13 21.354 0.113 . . . . . A 125 ALA CB . 17374 1 1270 . 1 1 125 125 ALA N N 15 125.320 0.037 . . . . . A 125 ALA N . 17374 1 1271 . 1 1 126 126 ASN H H 1 9.126 0.004 . . . . . A 126 ASN H . 17374 1 1272 . 1 1 126 126 ASN HA H 1 4.349 0.006 . . . . . A 126 ASN HA . 17374 1 1273 . 1 1 126 126 ASN HB2 H 1 2.745 0.003 . . . . . A 126 ASN HB2 . 17374 1 1274 . 1 1 126 126 ASN HB3 H 1 2.634 0.002 . . . . . A 126 ASN HB3 . 17374 1 1275 . 1 1 126 126 ASN C C 13 172.857 0.014 . . . . . A 126 ASN C . 17374 1 1276 . 1 1 126 126 ASN CA C 13 52.047 0.004 . . . . . A 126 ASN CA . 17374 1 1277 . 1 1 126 126 ASN CB C 13 40.146 0.153 . . . . . A 126 ASN CB . 17374 1 1278 . 1 1 126 126 ASN N N 15 119.358 0.027 . . . . . A 126 ASN N . 17374 1 1279 . 1 1 127 127 ASP H H 1 8.015 0.005 . . . . . A 127 ASP H . 17374 1 1280 . 1 1 127 127 ASP HA H 1 4.738 0.008 . . . . . A 127 ASP HA . 17374 1 1281 . 1 1 127 127 ASP HB2 H 1 2.926 0.007 . . . . . A 127 ASP HB2 . 17374 1 1282 . 1 1 127 127 ASP HB3 H 1 2.926 0.007 . . . . . A 127 ASP HB3 . 17374 1 1283 . 1 1 127 127 ASP C C 13 175.888 0.005 . . . . . A 127 ASP C . 17374 1 1284 . 1 1 127 127 ASP CA C 13 52.603 0.029 . . . . . A 127 ASP CA . 17374 1 1285 . 1 1 127 127 ASP CB C 13 42.579 0.057 . . . . . A 127 ASP CB . 17374 1 1286 . 1 1 127 127 ASP N N 15 118.114 0.039 . . . . . A 127 ASP N . 17374 1 1287 . 1 1 128 128 ALA H H 1 9.162 0.004 . . . . . A 128 ALA H . 17374 1 1288 . 1 1 128 128 ALA HA H 1 3.952 0.005 . . . . . A 128 ALA HA . 17374 1 1289 . 1 1 128 128 ALA HB1 H 1 1.489 0.009 . . . . . A 128 ALA HB1 . 17374 1 1290 . 1 1 128 128 ALA HB2 H 1 1.489 0.009 . . . . . A 128 ALA HB2 . 17374 1 1291 . 1 1 128 128 ALA HB3 H 1 1.489 0.009 . . . . . A 128 ALA HB3 . 17374 1 1292 . 1 1 128 128 ALA C C 13 180.257 0.025 . . . . . A 128 ALA C . 17374 1 1293 . 1 1 128 128 ALA CA C 13 55.493 0.144 . . . . . A 128 ALA CA . 17374 1 1294 . 1 1 128 128 ALA CB C 13 17.731 0.158 . . . . . A 128 ALA CB . 17374 1 1295 . 1 1 128 128 ALA N N 15 122.718 0.040 . . . . . A 128 ALA N . 17374 1 1296 . 1 1 129 129 SER H H 1 8.621 0.006 . . . . . A 129 SER H . 17374 1 1297 . 1 1 129 129 SER HA H 1 4.266 0.010 . . . . . A 129 SER HA . 17374 1 1298 . 1 1 129 129 SER HB2 H 1 3.984 0.002 . . . . . A 129 SER HB2 . 17374 1 1299 . 1 1 129 129 SER HB3 H 1 3.984 0.002 . . . . . A 129 SER HB3 . 17374 1 1300 . 1 1 129 129 SER C C 13 176.622 0.000 . . . . . A 129 SER C . 17374 1 1301 . 1 1 129 129 SER CA C 13 61.423 0.094 . . . . . A 129 SER CA . 17374 1 1302 . 1 1 129 129 SER CB C 13 62.064 0.000 . . . . . A 129 SER CB . 17374 1 1303 . 1 1 129 129 SER N N 15 116.593 0.033 . . . . . A 129 SER N . 17374 1 1304 . 1 1 130 130 GLY H H 1 8.037 0.003 . . . . . A 130 GLY H . 17374 1 1305 . 1 1 130 130 GLY HA2 H 1 4.258 0.000 . . . . . A 130 GLY HA2 . 17374 1 1306 . 1 1 130 130 GLY HA3 H 1 3.934 0.011 . . . . . A 130 GLY HA3 . 17374 1 1307 . 1 1 130 130 GLY C C 13 173.347 0.015 . . . . . A 130 GLY C . 17374 1 1308 . 1 1 130 130 GLY CA C 13 45.590 0.118 . . . . . A 130 GLY CA . 17374 1 1309 . 1 1 130 130 GLY N N 15 108.982 0.027 . . . . . A 130 GLY N . 17374 1 1310 . 1 1 131 131 LEU H H 1 7.229 0.007 . . . . . A 131 LEU H . 17374 1 1311 . 1 1 131 131 LEU HA H 1 4.379 0.000 . . . . . A 131 LEU HA . 17374 1 1312 . 1 1 131 131 LEU HB2 H 1 1.525 0.004 . . . . . A 131 LEU HB2 . 17374 1 1313 . 1 1 131 131 LEU HB3 H 1 1.525 0.004 . . . . . A 131 LEU HB3 . 17374 1 1314 . 1 1 131 131 LEU HG H 1 1.272 0.008 . . . . . A 131 LEU HG . 17374 1 1315 . 1 1 131 131 LEU HD11 H 1 -0.394 0.006 . . . . . A 131 LEU HD11 . 17374 1 1316 . 1 1 131 131 LEU HD12 H 1 -0.394 0.006 . . . . . A 131 LEU HD12 . 17374 1 1317 . 1 1 131 131 LEU HD13 H 1 -0.394 0.006 . . . . . A 131 LEU HD13 . 17374 1 1318 . 1 1 131 131 LEU HD21 H 1 0.327 0.005 . . . . . A 131 LEU HD21 . 17374 1 1319 . 1 1 131 131 LEU HD22 H 1 0.327 0.005 . . . . . A 131 LEU HD22 . 17374 1 1320 . 1 1 131 131 LEU HD23 H 1 0.327 0.005 . . . . . A 131 LEU HD23 . 17374 1 1321 . 1 1 131 131 LEU C C 13 175.712 0.022 . . . . . A 131 LEU C . 17374 1 1322 . 1 1 131 131 LEU CA C 13 52.548 0.117 . . . . . A 131 LEU CA . 17374 1 1323 . 1 1 131 131 LEU CB C 13 40.847 0.013 . . . . . A 131 LEU CB . 17374 1 1324 . 1 1 131 131 LEU CD1 C 13 23.507 0.000 . . . . . A 131 LEU CD1 . 17374 1 1325 . 1 1 131 131 LEU CD2 C 13 20.083 0.000 . . . . . A 131 LEU CD2 . 17374 1 1326 . 1 1 131 131 LEU N N 15 114.944 0.029 . . . . . A 131 LEU N . 17374 1 1327 . 1 1 132 132 ASP H H 1 6.907 0.004 . . . . . A 132 ASP H . 17374 1 1328 . 1 1 132 132 ASP HA H 1 4.513 0.004 . . . . . A 132 ASP HA . 17374 1 1329 . 1 1 132 132 ASP HB2 H 1 2.774 0.009 . . . . . A 132 ASP HB2 . 17374 1 1330 . 1 1 132 132 ASP HB3 H 1 2.774 0.009 . . . . . A 132 ASP HB3 . 17374 1 1331 . 1 1 132 132 ASP C C 13 176.615 0.012 . . . . . A 132 ASP C . 17374 1 1332 . 1 1 132 132 ASP CA C 13 54.423 0.127 . . . . . A 132 ASP CA . 17374 1 1333 . 1 1 132 132 ASP CB C 13 43.415 0.054 . . . . . A 132 ASP CB . 17374 1 1334 . 1 1 132 132 ASP N N 15 119.118 0.022 . . . . . A 132 ASP N . 17374 1 1335 . 1 1 133 133 PHE H H 1 9.379 0.004 . . . . . A 133 PHE H . 17374 1 1336 . 1 1 133 133 PHE HA H 1 3.518 0.004 . . . . . A 133 PHE HA . 17374 1 1337 . 1 1 133 133 PHE HB2 H 1 3.074 0.004 . . . . . A 133 PHE HB2 . 17374 1 1338 . 1 1 133 133 PHE HB3 H 1 2.802 0.003 . . . . . A 133 PHE HB3 . 17374 1 1339 . 1 1 133 133 PHE C C 13 177.988 0.003 . . . . . A 133 PHE C . 17374 1 1340 . 1 1 133 133 PHE CA C 13 62.189 0.061 . . . . . A 133 PHE CA . 17374 1 1341 . 1 1 133 133 PHE CB C 13 39.162 0.108 . . . . . A 133 PHE CB . 17374 1 1342 . 1 1 133 133 PHE N N 15 127.117 0.033 . . . . . A 133 PHE N . 17374 1 1343 . 1 1 134 134 GLU H H 1 8.772 0.004 . . . . . A 134 GLU H . 17374 1 1344 . 1 1 134 134 GLU HA H 1 3.873 0.003 . . . . . A 134 GLU HA . 17374 1 1345 . 1 1 134 134 GLU HB2 H 1 2.105 0.007 . . . . . A 134 GLU HB2 . 17374 1 1346 . 1 1 134 134 GLU HB3 H 1 2.105 0.007 . . . . . A 134 GLU HB3 . 17374 1 1347 . 1 1 134 134 GLU HG2 H 1 2.446 0.002 . . . . . A 134 GLU HG2 . 17374 1 1348 . 1 1 134 134 GLU HG3 H 1 2.446 0.002 . . . . . A 134 GLU HG3 . 17374 1 1349 . 1 1 134 134 GLU C C 13 179.157 0.017 . . . . . A 134 GLU C . 17374 1 1350 . 1 1 134 134 GLU CA C 13 58.679 0.115 . . . . . A 134 GLU CA . 17374 1 1351 . 1 1 134 134 GLU CB C 13 28.448 0.039 . . . . . A 134 GLU CB . 17374 1 1352 . 1 1 134 134 GLU CG C 13 35.436 0.000 . . . . . A 134 GLU CG . 17374 1 1353 . 1 1 134 134 GLU N N 15 118.686 0.041 . . . . . A 134 GLU N . 17374 1 1354 . 1 1 135 135 GLU H H 1 7.592 0.005 . . . . . A 135 GLU H . 17374 1 1355 . 1 1 135 135 GLU HA H 1 4.226 0.004 . . . . . A 135 GLU HA . 17374 1 1356 . 1 1 135 135 GLU HG2 H 1 2.513 0.001 . . . . . A 135 GLU HG2 . 17374 1 1357 . 1 1 135 135 GLU HG3 H 1 2.236 0.012 . . . . . A 135 GLU HG3 . 17374 1 1358 . 1 1 135 135 GLU C C 13 178.611 0.029 . . . . . A 135 GLU C . 17374 1 1359 . 1 1 135 135 GLU CA C 13 58.030 0.090 . . . . . A 135 GLU CA . 17374 1 1360 . 1 1 135 135 GLU CB C 13 28.839 0.109 . . . . . A 135 GLU CB . 17374 1 1361 . 1 1 135 135 GLU CG C 13 34.513 0.000 . . . . . A 135 GLU CG . 17374 1 1362 . 1 1 135 135 GLU N N 15 121.039 0.036 . . . . . A 135 GLU N . 17374 1 1363 . 1 1 136 136 ILE H H 1 8.164 0.008 . . . . . A 136 ILE H . 17374 1 1364 . 1 1 136 136 ILE HA H 1 3.405 0.039 . . . . . A 136 ILE HA . 17374 1 1365 . 1 1 136 136 ILE HB H 1 1.537 0.015 . . . . . A 136 ILE HB . 17374 1 1366 . 1 1 136 136 ILE HG12 H 1 0.877 0.005 . . . . . A 136 ILE HG12 . 17374 1 1367 . 1 1 136 136 ILE HG13 H 1 1.218 0.002 . . . . . A 136 ILE HG13 . 17374 1 1368 . 1 1 136 136 ILE HG21 H 1 0.175 0.003 . . . . . A 136 ILE HG21 . 17374 1 1369 . 1 1 136 136 ILE HG22 H 1 0.175 0.003 . . . . . A 136 ILE HG22 . 17374 1 1370 . 1 1 136 136 ILE HG23 H 1 0.175 0.003 . . . . . A 136 ILE HG23 . 17374 1 1371 . 1 1 136 136 ILE C C 13 177.582 0.004 . . . . . A 136 ILE C . 17374 1 1372 . 1 1 136 136 ILE CA C 13 64.158 0.137 . . . . . A 136 ILE CA . 17374 1 1373 . 1 1 136 136 ILE CB C 13 35.700 0.075 . . . . . A 136 ILE CB . 17374 1 1374 . 1 1 136 136 ILE CG1 C 13 30.734 0.005 . . . . . A 136 ILE CG1 . 17374 1 1375 . 1 1 136 136 ILE CG2 C 13 16.702 0.000 . . . . . A 136 ILE CG2 . 17374 1 1376 . 1 1 136 136 ILE N N 15 119.792 0.042 . . . . . A 136 ILE N . 17374 1 1377 . 1 1 137 137 SER H H 1 8.225 0.004 . . . . . A 137 SER H . 17374 1 1378 . 1 1 137 137 SER HB2 H 1 3.563 0.000 . . . . . A 137 SER HB2 . 17374 1 1379 . 1 1 137 137 SER HB3 H 1 3.441 0.013 . . . . . A 137 SER HB3 . 17374 1 1380 . 1 1 137 137 SER C C 13 175.489 0.000 . . . . . A 137 SER C . 17374 1 1381 . 1 1 137 137 SER CA C 13 62.045 0.000 . . . . . A 137 SER CA . 17374 1 1382 . 1 1 137 137 SER CB C 13 62.423 0.051 . . . . . A 137 SER CB . 17374 1 1383 . 1 1 137 137 SER N N 15 113.680 0.035 . . . . . A 137 SER N . 17374 1 1384 . 1 1 138 138 ARG H H 1 7.641 0.004 . . . . . A 138 ARG H . 17374 1 1385 . 1 1 138 138 ARG HA H 1 3.841 0.007 . . . . . A 138 ARG HA . 17374 1 1386 . 1 1 138 138 ARG HB2 H 1 1.918 0.007 . . . . . A 138 ARG HB2 . 17374 1 1387 . 1 1 138 138 ARG HB3 H 1 1.918 0.007 . . . . . A 138 ARG HB3 . 17374 1 1388 . 1 1 138 138 ARG HG2 H 1 1.759 0.000 . . . . . A 138 ARG HG2 . 17374 1 1389 . 1 1 138 138 ARG HG3 H 1 1.498 0.000 . . . . . A 138 ARG HG3 . 17374 1 1390 . 1 1 138 138 ARG HD2 H 1 3.187 0.002 . . . . . A 138 ARG HD2 . 17374 1 1391 . 1 1 138 138 ARG HD3 H 1 3.187 0.002 . . . . . A 138 ARG HD3 . 17374 1 1392 . 1 1 138 138 ARG C C 13 179.534 0.008 . . . . . A 138 ARG C . 17374 1 1393 . 1 1 138 138 ARG CA C 13 59.392 0.065 . . . . . A 138 ARG CA . 17374 1 1394 . 1 1 138 138 ARG CB C 13 29.799 0.062 . . . . . A 138 ARG CB . 17374 1 1395 . 1 1 138 138 ARG CG C 13 27.158 0.000 . . . . . A 138 ARG CG . 17374 1 1396 . 1 1 138 138 ARG CD C 13 42.841 0.000 . . . . . A 138 ARG CD . 17374 1 1397 . 1 1 138 138 ARG N N 15 119.713 0.033 . . . . . A 138 ARG N . 17374 1 1398 . 1 1 139 139 LYS H H 1 7.678 0.006 . . . . . A 139 LYS H . 17374 1 1399 . 1 1 139 139 LYS HA H 1 3.908 0.011 . . . . . A 139 LYS HA . 17374 1 1400 . 1 1 139 139 LYS HB2 H 1 1.866 0.008 . . . . . A 139 LYS HB2 . 17374 1 1401 . 1 1 139 139 LYS HB3 H 1 1.625 0.000 . . . . . A 139 LYS HB3 . 17374 1 1402 . 1 1 139 139 LYS HG2 H 1 1.397 0.000 . . . . . A 139 LYS HG2 . 17374 1 1403 . 1 1 139 139 LYS HG3 H 1 1.397 0.000 . . . . . A 139 LYS HG3 . 17374 1 1404 . 1 1 139 139 LYS HD2 H 1 1.674 0.006 . . . . . A 139 LYS HD2 . 17374 1 1405 . 1 1 139 139 LYS HD3 H 1 1.674 0.006 . . . . . A 139 LYS HD3 . 17374 1 1406 . 1 1 139 139 LYS HE2 H 1 3.041 0.000 . . . . . A 139 LYS HE2 . 17374 1 1407 . 1 1 139 139 LYS HE3 H 1 3.041 0.000 . . . . . A 139 LYS HE3 . 17374 1 1408 . 1 1 139 139 LYS C C 13 179.831 0.002 . . . . . A 139 LYS C . 17374 1 1409 . 1 1 139 139 LYS CA C 13 59.117 0.055 . . . . . A 139 LYS CA . 17374 1 1410 . 1 1 139 139 LYS CB C 13 32.170 0.083 . . . . . A 139 LYS CB . 17374 1 1411 . 1 1 139 139 LYS CG C 13 25.667 0.000 . . . . . A 139 LYS CG . 17374 1 1412 . 1 1 139 139 LYS CD C 13 29.514 0.000 . . . . . A 139 LYS CD . 17374 1 1413 . 1 1 139 139 LYS CE C 13 41.700 0.000 . . . . . A 139 LYS CE . 17374 1 1414 . 1 1 139 139 LYS N N 15 119.483 0.062 . . . . . A 139 LYS N . 17374 1 1415 . 1 1 140 140 VAL H H 1 8.206 0.004 . . . . . A 140 VAL H . 17374 1 1416 . 1 1 140 140 VAL HA H 1 3.931 0.000 . . . . . A 140 VAL HA . 17374 1 1417 . 1 1 140 140 VAL HB H 1 1.525 0.013 . . . . . A 140 VAL HB . 17374 1 1418 . 1 1 140 140 VAL HG11 H 1 0.358 0.022 . . . . . A 140 VAL HG11 . 17374 1 1419 . 1 1 140 140 VAL HG12 H 1 0.358 0.022 . . . . . A 140 VAL HG12 . 17374 1 1420 . 1 1 140 140 VAL HG13 H 1 0.358 0.022 . . . . . A 140 VAL HG13 . 17374 1 1421 . 1 1 140 140 VAL HG21 H 1 0.358 0.022 . . . . . A 140 VAL HG21 . 17374 1 1422 . 1 1 140 140 VAL HG22 H 1 0.358 0.022 . . . . . A 140 VAL HG22 . 17374 1 1423 . 1 1 140 140 VAL HG23 H 1 0.358 0.022 . . . . . A 140 VAL HG23 . 17374 1 1424 . 1 1 140 140 VAL C C 13 178.172 0.046 . . . . . A 140 VAL C . 17374 1 1425 . 1 1 140 140 VAL CA C 13 64.777 0.082 . . . . . A 140 VAL CA . 17374 1 1426 . 1 1 140 140 VAL CB C 13 31.220 0.077 . . . . . A 140 VAL CB . 17374 1 1427 . 1 1 140 140 VAL CG1 C 13 20.852 0.000 . . . . . A 140 VAL CG1 . 17374 1 1428 . 1 1 140 140 VAL N N 15 120.571 0.068 . . . . . A 140 VAL N . 17374 1 1429 . 1 1 141 141 LYS H H 1 8.034 0.006 . . . . . A 141 LYS H . 17374 1 1430 . 1 1 141 141 LYS HA H 1 3.878 0.002 . . . . . A 141 LYS HA . 17374 1 1431 . 1 1 141 141 LYS HB2 H 1 1.830 0.005 . . . . . A 141 LYS HB2 . 17374 1 1432 . 1 1 141 141 LYS HB3 H 1 1.625 0.006 . . . . . A 141 LYS HB3 . 17374 1 1433 . 1 1 141 141 LYS HG2 H 1 1.180 0.014 . . . . . A 141 LYS HG2 . 17374 1 1434 . 1 1 141 141 LYS HG3 H 1 1.180 0.014 . . . . . A 141 LYS HG3 . 17374 1 1435 . 1 1 141 141 LYS HD2 H 1 1.349 0.012 . . . . . A 141 LYS HD2 . 17374 1 1436 . 1 1 141 141 LYS HD3 H 1 1.349 0.012 . . . . . A 141 LYS HD3 . 17374 1 1437 . 1 1 141 141 LYS HE2 H 1 2.861 0.005 . . . . . A 141 LYS HE2 . 17374 1 1438 . 1 1 141 141 LYS HE3 H 1 2.861 0.005 . . . . . A 141 LYS HE3 . 17374 1 1439 . 1 1 141 141 LYS C C 13 177.695 0.003 . . . . . A 141 LYS C . 17374 1 1440 . 1 1 141 141 LYS CA C 13 58.354 0.116 . . . . . A 141 LYS CA . 17374 1 1441 . 1 1 141 141 LYS CB C 13 32.130 0.147 . . . . . A 141 LYS CB . 17374 1 1442 . 1 1 141 141 LYS CG C 13 25.635 0.000 . . . . . A 141 LYS CG . 17374 1 1443 . 1 1 141 141 LYS CD C 13 28.995 0.000 . . . . . A 141 LYS CD . 17374 1 1444 . 1 1 141 141 LYS CE C 13 41.482 0.000 . . . . . A 141 LYS CE . 17374 1 1445 . 1 1 141 141 LYS N N 15 117.968 0.046 . . . . . A 141 LYS N . 17374 1 1446 . 1 1 142 142 SER H H 1 7.588 0.005 . . . . . A 142 SER H . 17374 1 1447 . 1 1 142 142 SER HA H 1 4.355 0.004 . . . . . A 142 SER HA . 17374 1 1448 . 1 1 142 142 SER HB2 H 1 3.930 0.003 . . . . . A 142 SER HB2 . 17374 1 1449 . 1 1 142 142 SER HB3 H 1 3.930 0.003 . . . . . A 142 SER HB3 . 17374 1 1450 . 1 1 142 142 SER C C 13 173.971 0.120 . . . . . A 142 SER C . 17374 1 1451 . 1 1 142 142 SER CA C 13 58.858 0.082 . . . . . A 142 SER CA . 17374 1 1452 . 1 1 142 142 SER CB C 13 63.714 0.065 . . . . . A 142 SER CB . 17374 1 1453 . 1 1 142 142 SER N N 15 112.768 0.042 . . . . . A 142 SER N . 17374 1 1454 . 1 1 143 143 ASN H H 1 7.838 0.003 . . . . . A 143 ASN H . 17374 1 1455 . 1 1 143 143 ASN HA H 1 4.690 0.007 . . . . . A 143 ASN HA . 17374 1 1456 . 1 1 143 143 ASN HB2 H 1 2.898 0.004 . . . . . A 143 ASN HB2 . 17374 1 1457 . 1 1 143 143 ASN HB3 H 1 2.726 0.003 . . . . . A 143 ASN HB3 . 17374 1 1458 . 1 1 143 143 ASN C C 13 173.815 0.014 . . . . . A 143 ASN C . 17374 1 1459 . 1 1 143 143 ASN CA C 13 53.240 0.172 . . . . . A 143 ASN CA . 17374 1 1460 . 1 1 143 143 ASN CB C 13 38.904 0.200 . . . . . A 143 ASN CB . 17374 1 1461 . 1 1 143 143 ASN N N 15 120.442 0.032 . . . . . A 143 ASN N . 17374 1 1462 . 1 1 144 144 ARG H H 1 7.869 0.003 . . . . . A 144 ARG H . 17374 1 1463 . 1 1 144 144 ARG HA H 1 4.169 0.000 . . . . . A 144 ARG HA . 17374 1 1464 . 1 1 144 144 ARG HB2 H 1 1.688 0.000 . . . . . A 144 ARG HB2 . 17374 1 1465 . 1 1 144 144 ARG HB3 H 1 1.688 0.000 . . . . . A 144 ARG HB3 . 17374 1 1466 . 1 1 144 144 ARG C C 13 176.648 0.000 . . . . . A 144 ARG C . 17374 1 1467 . 1 1 144 144 ARG CA C 13 57.472 0.000 . . . . . A 144 ARG CA . 17374 1 1468 . 1 1 144 144 ARG CB C 13 31.076 0.000 . . . . . A 144 ARG CB . 17374 1 1469 . 1 1 144 144 ARG N N 15 125.809 0.018 . . . . . A 144 ARG N . 17374 1 stop_ save_