data_4751 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4751 _Entry.Title ; Assignment of 1H and 15N resonances of mouse lysozyme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-06-05 _Entry.Accession_date 2000-06-05 _Entry.Last_release_date 2000-06-05 _Entry.Original_release_date 2000-06-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Takayuki Obita . . . . 4751 2 Tadashi Ueda . . . . 4751 3 Yoshitsugu Tanaka . . . . 4751 4 Yoshio Hashimoto . . . . 4751 5 Taiji Imoto . . . . 4751 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4751 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 127 4751 '1H chemical shifts' 709 4751 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 1 . . 2000-12-18 . original BMRB . 4751 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4751 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of 1H and 15N resonances of mouse lysozyme M ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 18 _Citation.Journal_issue 4 _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 361 _Citation.Page_last 362 _Citation.Year 2000 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Takayuki Obita . . . . 4751 1 2 Tadashi Ueda . . . . 4751 1 3 Yoshitsugu Tanaka . . . . 4751 1 4 Yoshio Hashimoto . . . . 4751 1 5 Taiji Imoto . . . . 4751 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 4751 1 assignment 4751 1 lysozyme 4751 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_M-Lyz _Assembly.Sf_category assembly _Assembly.Sf_framecode system_M-Lyz _Assembly.Entry_ID 4751 _Assembly.ID 1 _Assembly.Name 'mouse lysozyme' _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 'all disulfide bound' _Assembly.Molecular_mass 14820 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4751 1 stop_ 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 'mouse lysozyme' 1 $M-Lyz . . yes native . . . . . 4751 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 128 128 SG . . . . . . . . . . . . 4751 1 2 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 116 116 SG . . . . . . . . . . . . 4751 1 3 disulfide single . 1 . 1 CYS 65 65 SG . 1 . 1 CYS 81 81 SG . . . . . . . . . . . . 4751 1 4 disulfide single . 1 . 1 CYS 77 77 SG . 1 . 1 CYS 95 95 SG . . . . . . . . . . . . 4751 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID M-Lyz abbreviation 4751 1 'mouse lysozyme' system 4751 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_M-Lyz _Entity.Sf_category entity _Entity.Sf_framecode M-Lyz _Entity.Entry_ID 4751 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'mouse lysozyme' _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 ; KVYERCEFARTLKRNGMAGY YGVSLADWVCLAQHESNYNT RATNYNRGDQSTDYGIFQIN SRYWCNDGKTPRAVNACGIN CSALLQDDITAAIQCAKRVV RDPQGIRAWVAWRAHCQNRD LSQYIRNCGV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14820 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . no PDB 1IVM . 'Solution Structure Of Mouse Lysozyme M' . . . . . 99.23 130 100.00 100.00 2.35e-70 . . . . 4751 1 . no DBJ BAE28595 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 148 100.00 100.00 8.15e-72 . . . . 4751 1 . no DBJ BAE30022 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 159 100.00 100.00 3.07e-72 . . . . 4751 1 . no DBJ BAE31835 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 159 100.00 100.00 3.07e-72 . . . . 4751 1 . no DBJ BAE32025 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 148 100.00 100.00 8.15e-72 . . . . 4751 1 . no DBJ BAE34954 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 163 100.00 100.00 1.86e-72 . . . . 4751 1 . no GenBank AAA39473 . 'lysozyme M' . . . . . 100.00 148 100.00 100.00 8.15e-72 . . . . 4751 1 . no GenBank AAH02069 . 'Lysozyme 2 [Mus musculus]' . . . . . 100.00 148 100.00 100.00 8.15e-72 . . . . 4751 1 . no GenBank AAH54463 . 'Lysozyme 2 [Mus musculus]' . . . . . 100.00 148 100.00 100.00 8.15e-72 . . . . 4751 1 . no GenBank EDL21835 . 'mCG3049 [Mus musculus]' . . . . . 100.00 148 100.00 100.00 8.15e-72 . . . . 4751 1 . no REF NP_059068 . 'lysozyme 2 [Mus musculus]' . . . . . 100.00 148 100.00 100.00 8.15e-72 . . . . 4751 1 . no SWISS-PROT P08905 . 'Lysozyme C type M precursor (1,4-beta-N-acetylmuramidase C)' . . . . . 100.00 148 100.00 100.00 8.15e-72 . . . . 4751 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID M-Lyz abbreviation 4751 1 'mouse lysozyme' common 4751 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 . LYS . 4751 1 2 . VAL . 4751 1 3 . TYR . 4751 1 4 . GLU . 4751 1 5 . ARG . 4751 1 6 . CYS . 4751 1 7 . GLU . 4751 1 8 . PHE . 4751 1 9 . ALA . 4751 1 10 . ARG . 4751 1 11 . THR . 4751 1 12 . LEU . 4751 1 13 . LYS . 4751 1 14 . ARG . 4751 1 15 . ASN . 4751 1 16 . GLY . 4751 1 17 . MET . 4751 1 18 . ALA . 4751 1 19 . GLY . 4751 1 20 . TYR . 4751 1 21 . TYR . 4751 1 22 . GLY . 4751 1 23 . VAL . 4751 1 24 . SER . 4751 1 25 . LEU . 4751 1 26 . ALA . 4751 1 27 . ASP . 4751 1 28 . TRP . 4751 1 29 . VAL . 4751 1 30 . CYS . 4751 1 31 . LEU . 4751 1 32 . ALA . 4751 1 33 . GLN . 4751 1 34 . HIS . 4751 1 35 . GLU . 4751 1 36 . SER . 4751 1 37 . ASN . 4751 1 38 . TYR . 4751 1 39 . ASN . 4751 1 40 . THR . 4751 1 41 . ARG . 4751 1 42 . ALA . 4751 1 43 . THR . 4751 1 44 . ASN . 4751 1 45 . TYR . 4751 1 46 . ASN . 4751 1 47 . ARG . 4751 1 48 . GLY . 4751 1 49 . ASP . 4751 1 50 . GLN . 4751 1 51 . SER . 4751 1 52 . THR . 4751 1 53 . ASP . 4751 1 54 . TYR . 4751 1 55 . GLY . 4751 1 56 . ILE . 4751 1 57 . PHE . 4751 1 58 . GLN . 4751 1 59 . ILE . 4751 1 60 . ASN . 4751 1 61 . SER . 4751 1 62 . ARG . 4751 1 63 . TYR . 4751 1 64 . TRP . 4751 1 65 . CYS . 4751 1 66 . ASN . 4751 1 67 . ASP . 4751 1 68 . GLY . 4751 1 69 . LYS . 4751 1 70 . THR . 4751 1 71 . PRO . 4751 1 72 . ARG . 4751 1 73 . ALA . 4751 1 74 . VAL . 4751 1 75 . ASN . 4751 1 76 . ALA . 4751 1 77 . CYS . 4751 1 78 . GLY . 4751 1 79 . ILE . 4751 1 80 . ASN . 4751 1 81 . CYS . 4751 1 82 . SER . 4751 1 83 . ALA . 4751 1 84 . LEU . 4751 1 85 . LEU . 4751 1 86 . GLN . 4751 1 87 . ASP . 4751 1 88 . ASP . 4751 1 89 . ILE . 4751 1 90 . THR . 4751 1 91 . ALA . 4751 1 92 . ALA . 4751 1 93 . ILE . 4751 1 94 . GLN . 4751 1 95 . CYS . 4751 1 96 . ALA . 4751 1 97 . LYS . 4751 1 98 . ARG . 4751 1 99 . VAL . 4751 1 100 . VAL . 4751 1 101 . ARG . 4751 1 102 . ASP . 4751 1 103 . PRO . 4751 1 104 . GLN . 4751 1 105 . GLY . 4751 1 106 . ILE . 4751 1 107 . ARG . 4751 1 108 . ALA . 4751 1 109 . TRP . 4751 1 110 . VAL . 4751 1 111 . ALA . 4751 1 112 . TRP . 4751 1 113 . ARG . 4751 1 114 . ALA . 4751 1 115 . HIS . 4751 1 116 . CYS . 4751 1 117 . GLN . 4751 1 118 . ASN . 4751 1 119 . ARG . 4751 1 120 . ASP . 4751 1 121 . LEU . 4751 1 122 . SER . 4751 1 123 . GLN . 4751 1 124 . TYR . 4751 1 125 . ILE . 4751 1 126 . ARG . 4751 1 127 . ASN . 4751 1 128 . CYS . 4751 1 129 . GLY . 4751 1 130 . VAL . 4751 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 . LYS 1 1 4751 1 . VAL 2 2 4751 1 . TYR 3 3 4751 1 . GLU 4 4 4751 1 . ARG 5 5 4751 1 . CYS 6 6 4751 1 . GLU 7 7 4751 1 . PHE 8 8 4751 1 . ALA 9 9 4751 1 . ARG 10 10 4751 1 . THR 11 11 4751 1 . LEU 12 12 4751 1 . LYS 13 13 4751 1 . ARG 14 14 4751 1 . ASN 15 15 4751 1 . GLY 16 16 4751 1 . MET 17 17 4751 1 . ALA 18 18 4751 1 . GLY 19 19 4751 1 . TYR 20 20 4751 1 . TYR 21 21 4751 1 . GLY 22 22 4751 1 . VAL 23 23 4751 1 . SER 24 24 4751 1 . LEU 25 25 4751 1 . ALA 26 26 4751 1 . ASP 27 27 4751 1 . TRP 28 28 4751 1 . VAL 29 29 4751 1 . CYS 30 30 4751 1 . LEU 31 31 4751 1 . ALA 32 32 4751 1 . GLN 33 33 4751 1 . HIS 34 34 4751 1 . GLU 35 35 4751 1 . SER 36 36 4751 1 . ASN 37 37 4751 1 . TYR 38 38 4751 1 . ASN 39 39 4751 1 . THR 40 40 4751 1 . ARG 41 41 4751 1 . ALA 42 42 4751 1 . THR 43 43 4751 1 . ASN 44 44 4751 1 . TYR 45 45 4751 1 . ASN 46 46 4751 1 . ARG 47 47 4751 1 . GLY 48 48 4751 1 . ASP 49 49 4751 1 . GLN 50 50 4751 1 . SER 51 51 4751 1 . THR 52 52 4751 1 . ASP 53 53 4751 1 . TYR 54 54 4751 1 . GLY 55 55 4751 1 . ILE 56 56 4751 1 . PHE 57 57 4751 1 . GLN 58 58 4751 1 . ILE 59 59 4751 1 . ASN 60 60 4751 1 . SER 61 61 4751 1 . ARG 62 62 4751 1 . TYR 63 63 4751 1 . TRP 64 64 4751 1 . CYS 65 65 4751 1 . ASN 66 66 4751 1 . ASP 67 67 4751 1 . GLY 68 68 4751 1 . LYS 69 69 4751 1 . THR 70 70 4751 1 . PRO 71 71 4751 1 . ARG 72 72 4751 1 . ALA 73 73 4751 1 . VAL 74 74 4751 1 . ASN 75 75 4751 1 . ALA 76 76 4751 1 . CYS 77 77 4751 1 . GLY 78 78 4751 1 . ILE 79 79 4751 1 . ASN 80 80 4751 1 . CYS 81 81 4751 1 . SER 82 82 4751 1 . ALA 83 83 4751 1 . LEU 84 84 4751 1 . LEU 85 85 4751 1 . GLN 86 86 4751 1 . ASP 87 87 4751 1 . ASP 88 88 4751 1 . ILE 89 89 4751 1 . THR 90 90 4751 1 . ALA 91 91 4751 1 . ALA 92 92 4751 1 . ILE 93 93 4751 1 . GLN 94 94 4751 1 . CYS 95 95 4751 1 . ALA 96 96 4751 1 . LYS 97 97 4751 1 . ARG 98 98 4751 1 . VAL 99 99 4751 1 . VAL 100 100 4751 1 . ARG 101 101 4751 1 . ASP 102 102 4751 1 . PRO 103 103 4751 1 . GLN 104 104 4751 1 . GLY 105 105 4751 1 . ILE 106 106 4751 1 . ARG 107 107 4751 1 . ALA 108 108 4751 1 . TRP 109 109 4751 1 . VAL 110 110 4751 1 . ALA 111 111 4751 1 . TRP 112 112 4751 1 . ARG 113 113 4751 1 . ALA 114 114 4751 1 . HIS 115 115 4751 1 . CYS 116 116 4751 1 . GLN 117 117 4751 1 . ASN 118 118 4751 1 . ARG 119 119 4751 1 . ASP 120 120 4751 1 . LEU 121 121 4751 1 . SER 122 122 4751 1 . GLN 123 123 4751 1 . TYR 124 124 4751 1 . ILE 125 125 4751 1 . ARG 126 126 4751 1 . ASN 127 127 4751 1 . CYS 128 128 4751 1 . GLY 129 129 4751 1 . VAL 130 130 4751 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 4751 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $M-Lyz . 10090 . . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 4751 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 4751 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $M-Lyz . 'recombinant technology' 'Pichia pastoris' yeast . . Pichia pastoris . . . . . . . . . . 4751 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4751 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'mouse lysozyme' [U-15N] . . 1 $M-Lyz . . 1.0 . . mM . . . . 4751 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 4751 _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 pH 3.8 0.05 n/a 4751 1 temperature 308 . K 4751 1 stop_ save_ ############################# # Purity of the molecules # ############################# save_molecule_purity_list _Entity_purity_list.Sf_category molecule_purity _Entity_purity_list.Sf_framecode molecule_purity_list _Entity_purity_list.Entry_ID 4751 _Entity_purity_list.ID 1 _Entity_purity_list.Details . loop_ _Entity_purity.ID _Entity_purity.Sample_ID _Entity_purity.Sample_label _Entity_purity.Entity_ID _Entity_purity.Entity_label _Entity_purity.Val _Entity_purity.Val_units _Entity_purity.Measurement_method _Entity_purity.Details _Entity_purity.Entry_ID _Entity_purity.Entity_purity_list_ID 1 1 $sample_1 1 $M-Lyz 95 % 'SDS gel electrophoresis' . 4751 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 4751 _Software.ID 1 _Software.Type . _Software.Name NMR-PIPE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'raw spectral data transformations' 4751 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4751 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4751 _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 NMR_spectrometer_1 Varian INOVA . 600 . . . 4751 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 4751 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4751 1 2 '15N-edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4751 1 3 '15N-edited TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4751 1 4 '1H NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4751 1 5 '1H TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4751 1 6 '1H COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4751 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 4751 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . 4751 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 4751 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 4751 _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 '1H-15N HSQC' 1 $sample_1 . 4751 1 2 '15N-edited NOESY' 1 $sample_1 . 4751 1 3 '15N-edited TOCSY' 1 $sample_1 . 4751 1 4 '1H NOESY' 1 $sample_1 . 4751 1 5 '1H TOCSY' 1 $sample_1 . 4751 1 6 '1H COSY' 1 $sample_1 . 4751 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 4751 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.Ambiguity_set_ID _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 1 1 LYS HA H 1 3.99 0.02 . 1 . . . . . . . . . 4751 1 2 . 1 1 2 2 VAL H H 1 8.87 0.02 . 1 . . . . . . . . . 4751 1 3 . 1 1 2 2 VAL HA H 1 4.94 0.02 . 1 . . . . . . . . . 4751 1 4 . 1 1 2 2 VAL HB H 1 1.98 0.02 . 1 . . . . . . . . . 4751 1 5 . 1 1 2 2 VAL HG11 H 1 1.17 0.02 . 2 . . . . . . . . . 4751 1 6 . 1 1 2 2 VAL HG12 H 1 1.17 0.02 . 2 . . . . . . . . . 4751 1 7 . 1 1 2 2 VAL HG13 H 1 1.17 0.02 . 2 . . . . . . . . . 4751 1 8 . 1 1 2 2 VAL HG21 H 1 0.94 0.02 . 2 . . . . . . . . . 4751 1 9 . 1 1 2 2 VAL HG22 H 1 0.94 0.02 . 2 . . . . . . . . . 4751 1 10 . 1 1 2 2 VAL HG23 H 1 0.94 0.02 . 2 . . . . . . . . . 4751 1 11 . 1 1 2 2 VAL N N 15 127.4 0.1 . 1 . . . . . . . . . 4751 1 12 . 1 1 3 3 TYR H H 1 9.06 0.02 . 1 . . . . . . . . . 4751 1 13 . 1 1 3 3 TYR HA H 1 4.10 0.02 . 1 . . . . . . . . . 4751 1 14 . 1 1 3 3 TYR HB2 H 1 2.83 0.02 . 1 . . . . . . . . . 4751 1 15 . 1 1 3 3 TYR HB3 H 1 2.83 0.02 . 1 . . . . . . . . . 4751 1 16 . 1 1 3 3 TYR HD1 H 1 7.02 0.02 . 1 . . . . . . . . . 4751 1 17 . 1 1 3 3 TYR HD2 H 1 7.02 0.02 . 1 . . . . . . . . . 4751 1 18 . 1 1 3 3 TYR HE1 H 1 6.68 0.02 . 1 . . . . . . . . . 4751 1 19 . 1 1 3 3 TYR HE2 H 1 6.68 0.02 . 1 . . . . . . . . . 4751 1 20 . 1 1 3 3 TYR N N 15 128.8 0.1 . 1 . . . . . . . . . 4751 1 21 . 1 1 4 4 GLU H H 1 8.42 0.02 . 1 . . . . . . . . . 4751 1 22 . 1 1 4 4 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . . 4751 1 23 . 1 1 4 4 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . . 4751 1 24 . 1 1 4 4 GLU HB3 H 1 2.36 0.02 . 2 . . . . . . . . . 4751 1 25 . 1 1 4 4 GLU HG2 H 1 2.59 0.02 . 1 . . . . . . . . . 4751 1 26 . 1 1 4 4 GLU HG3 H 1 2.59 0.02 . 1 . . . . . . . . . 4751 1 27 . 1 1 4 4 GLU N N 15 122.2 0.1 . 1 . . . . . . . . . 4751 1 28 . 1 1 5 5 ARG H H 1 8.35 0.02 . 1 . . . . . . . . . 4751 1 29 . 1 1 5 5 ARG HA H 1 3.27 0.02 . 1 . . . . . . . . . 4751 1 30 . 1 1 5 5 ARG HB2 H 1 1.99 0.02 . 1 . . . . . . . . . 4751 1 31 . 1 1 5 5 ARG HB3 H 1 1.99 0.02 . 1 . . . . . . . . . 4751 1 32 . 1 1 5 5 ARG HG2 H 1 1.44 0.02 . 2 . . . . . . . . . 4751 1 33 . 1 1 5 5 ARG HG3 H 1 1.79 0.02 . 2 . . . . . . . . . 4751 1 34 . 1 1 5 5 ARG N N 15 126.5 0.1 . 1 . . . . . . . . . 4751 1 35 . 1 1 6 6 CYS H H 1 8.85 0.02 . 1 . . . . . . . . . 4751 1 36 . 1 1 6 6 CYS HA H 1 4.88 0.02 . 1 . . . . . . . . . 4751 1 37 . 1 1 6 6 CYS HB2 H 1 3.35 0.02 . 2 . . . . . . . . . 4751 1 38 . 1 1 6 6 CYS HB3 H 1 2.96 0.02 . 2 . . . . . . . . . 4751 1 39 . 1 1 6 6 CYS N N 15 114.7 0.1 . 1 . . . . . . . . . 4751 1 40 . 1 1 7 7 GLU H H 1 8.21 0.02 . 1 . . . . . . . . . 4751 1 41 . 1 1 7 7 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . . 4751 1 42 . 1 1 7 7 GLU HB2 H 1 2.60 0.02 . 2 . . . . . . . . . 4751 1 43 . 1 1 7 7 GLU HB3 H 1 2.28 0.02 . 2 . . . . . . . . . 4751 1 44 . 1 1 7 7 GLU N N 15 125.7 0.1 . 1 . . . . . . . . . 4751 1 45 . 1 1 8 8 PHE H H 1 9.19 0.02 . 1 . . . . . . . . . 4751 1 46 . 1 1 8 8 PHE HA H 1 3.96 0.02 . 1 . . . . . . . . . 4751 1 47 . 1 1 8 8 PHE HB2 H 1 3.35 0.02 . 2 . . . . . . . . . 4751 1 48 . 1 1 8 8 PHE HB3 H 1 2.93 0.02 . 2 . . . . . . . . . 4751 1 49 . 1 1 8 8 PHE HD1 H 1 6.87 0.02 . 1 . . . . . . . . . 4751 1 50 . 1 1 8 8 PHE HD2 H 1 6.87 0.02 . 1 . . . . . . . . . 4751 1 51 . 1 1 8 8 PHE HE1 H 1 7.16 0.02 . 1 . . . . . . . . . 4751 1 52 . 1 1 8 8 PHE HE2 H 1 7.16 0.02 . 1 . . . . . . . . . 4751 1 53 . 1 1 8 8 PHE HZ H 1 7.39 0.02 . 1 . . . . . . . . . 4751 1 54 . 1 1 8 8 PHE N N 15 121.9 0.1 . 1 . . . . . . . . . 4751 1 55 . 1 1 9 9 ALA H H 1 8.77 0.02 . 1 . . . . . . . . . 4751 1 56 . 1 1 9 9 ALA HA H 1 3.66 0.02 . 1 . . . . . . . . . 4751 1 57 . 1 1 9 9 ALA HB1 H 1 1.64 0.02 . 1 . . . . . . . . . 4751 1 58 . 1 1 9 9 ALA HB2 H 1 1.64 0.02 . 1 . . . . . . . . . 4751 1 59 . 1 1 9 9 ALA HB3 H 1 1.64 0.02 . 1 . . . . . . . . . 4751 1 60 . 1 1 9 9 ALA N N 15 121.8 0.1 . 1 . . . . . . . . . 4751 1 61 . 1 1 10 10 ARG H H 1 8.80 0.02 . 1 . . . . . . . . . 4751 1 62 . 1 1 10 10 ARG HA H 1 3.86 0.02 . 1 . . . . . . . . . 4751 1 63 . 1 1 10 10 ARG HB2 H 1 2.00 0.02 . 2 . . . . . . . . . 4751 1 64 . 1 1 10 10 ARG HB3 H 1 1.89 0.02 . 2 . . . . . . . . . 4751 1 65 . 1 1 10 10 ARG HG2 H 1 1.62 0.02 . 1 . . . . . . . . . 4751 1 66 . 1 1 10 10 ARG HG3 H 1 1.62 0.02 . 1 . . . . . . . . . 4751 1 67 . 1 1 10 10 ARG N N 15 115.8 0.1 . 1 . . . . . . . . . 4751 1 68 . 1 1 11 11 THR H H 1 7.99 0.02 . 1 . . . . . . . . . 4751 1 69 . 1 1 11 11 THR HA H 1 3.86 0.02 . 1 . . . . . . . . . 4751 1 70 . 1 1 11 11 THR HB H 1 4.19 0.02 . 1 . . . . . . . . . 4751 1 71 . 1 1 11 11 THR HG21 H 1 1.08 0.02 . 1 . . . . . . . . . 4751 1 72 . 1 1 11 11 THR HG22 H 1 1.08 0.02 . 1 . . . . . . . . . 4751 1 73 . 1 1 11 11 THR HG23 H 1 1.08 0.02 . 1 . . . . . . . . . 4751 1 74 . 1 1 11 11 THR N N 15 118.1 0.1 . 1 . . . . . . . . . 4751 1 75 . 1 1 12 12 LEU H H 1 8.21 0.02 . 1 . . . . . . . . . 4751 1 76 . 1 1 12 12 LEU HA H 1 3.43 0.02 . 1 . . . . . . . . . 4751 1 77 . 1 1 12 12 LEU HB2 H 1 1.78 0.02 . 1 . . . . . . . . . 4751 1 78 . 1 1 12 12 LEU HB3 H 1 1.78 0.02 . 1 . . . . . . . . . 4751 1 79 . 1 1 12 12 LEU HD11 H 1 0.29 0.02 . 1 . . . . . . . . . 4751 1 80 . 1 1 12 12 LEU HD12 H 1 0.29 0.02 . 1 . . . . . . . . . 4751 1 81 . 1 1 12 12 LEU HD13 H 1 0.29 0.02 . 1 . . . . . . . . . 4751 1 82 . 1 1 12 12 LEU HD21 H 1 0.29 0.02 . 1 . . . . . . . . . 4751 1 83 . 1 1 12 12 LEU HD22 H 1 0.29 0.02 . 1 . . . . . . . . . 4751 1 84 . 1 1 12 12 LEU HD23 H 1 0.29 0.02 . 1 . . . . . . . . . 4751 1 85 . 1 1 12 12 LEU N N 15 122.0 0.1 . 1 . . . . . . . . . 4751 1 86 . 1 1 13 13 LYS H H 1 8.26 0.02 . 1 . . . . . . . . . 4751 1 87 . 1 1 13 13 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . . 4751 1 88 . 1 1 13 13 LYS HB2 H 1 2.17 0.02 . 2 . . . . . . . . . 4751 1 89 . 1 1 13 13 LYS HB3 H 1 1.85 0.02 . 2 . . . . . . . . . 4751 1 90 . 1 1 13 13 LYS N N 15 121.1 0.1 . 1 . . . . . . . . . 4751 1 91 . 1 1 14 14 ARG H H 1 7.92 0.02 . 1 . . . . . . . . . 4751 1 92 . 1 1 14 14 ARG HA H 1 4.31 0.02 . 1 . . . . . . . . . 4751 1 93 . 1 1 14 14 ARG HB2 H 1 1.80 0.02 . 2 . . . . . . . . . 4751 1 94 . 1 1 14 14 ARG HB3 H 1 1.97 0.02 . 2 . . . . . . . . . 4751 1 95 . 1 1 14 14 ARG N N 15 118.1 0.1 . 1 . . . . . . . . . 4751 1 96 . 1 1 15 15 ASN H H 1 7.22 0.02 . 1 . . . . . . . . . 4751 1 97 . 1 1 15 15 ASN HA H 1 4.83 0.02 . 1 . . . . . . . . . 4751 1 98 . 1 1 15 15 ASN HB2 H 1 3.03 0.02 . 2 . . . . . . . . . 4751 1 99 . 1 1 15 15 ASN HB3 H 1 2.32 0.02 . 2 . . . . . . . . . 4751 1 100 . 1 1 15 15 ASN N N 15 115.5 0.1 . 1 . . . . . . . . . 4751 1 101 . 1 1 16 16 GLY H H 1 7.64 0.02 . 1 . . . . . . . . . 4751 1 102 . 1 1 16 16 GLY HA2 H 1 4.18 0.02 . 2 . . . . . . . . . 4751 1 103 . 1 1 16 16 GLY HA3 H 1 3.93 0.02 . 2 . . . . . . . . . 4751 1 104 . 1 1 16 16 GLY N N 15 106.4 0.1 . 1 . . . . . . . . . 4751 1 105 . 1 1 17 17 MET H H 1 7.10 0.02 . 1 . . . . . . . . . 4751 1 106 . 1 1 17 17 MET HA H 1 4.17 0.02 . 1 . . . . . . . . . 4751 1 107 . 1 1 17 17 MET N N 15 113.3 0.1 . 1 . . . . . . . . . 4751 1 108 . 1 1 18 18 ALA H H 1 8.88 0.02 . 1 . . . . . . . . . 4751 1 109 . 1 1 18 18 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . . 4751 1 110 . 1 1 18 18 ALA HB1 H 1 1.58 0.02 . 1 . . . . . . . . . 4751 1 111 . 1 1 18 18 ALA HB2 H 1 1.58 0.02 . 1 . . . . . . . . . 4751 1 112 . 1 1 18 18 ALA HB3 H 1 1.58 0.02 . 1 . . . . . . . . . 4751 1 113 . 1 1 18 18 ALA N N 15 123.0 0.1 . 1 . . . . . . . . . 4751 1 114 . 1 1 19 19 GLY H H 1 8.73 0.02 . 1 . . . . . . . . . 4751 1 115 . 1 1 19 19 GLY HA2 H 1 4.18 0.02 . 2 . . . . . . . . . 4751 1 116 . 1 1 19 19 GLY HA3 H 1 3.37 0.02 . 2 . . . . . . . . . 4751 1 117 . 1 1 19 19 GLY N N 15 117.8 0.1 . 1 . . . . . . . . . 4751 1 118 . 1 1 20 20 TYR H H 1 7.75 0.02 . 1 . . . . . . . . . 4751 1 119 . 1 1 20 20 TYR HA H 1 4.20 0.02 . 1 . . . . . . . . . 4751 1 120 . 1 1 20 20 TYR HB2 H 1 3.25 0.02 . 2 . . . . . . . . . 4751 1 121 . 1 1 20 20 TYR HB3 H 1 3.46 0.02 . 2 . . . . . . . . . 4751 1 122 . 1 1 20 20 TYR HD1 H 1 7.26 0.02 . 1 . . . . . . . . . 4751 1 123 . 1 1 20 20 TYR HD2 H 1 7.26 0.02 . 1 . . . . . . . . . 4751 1 124 . 1 1 20 20 TYR HE1 H 1 6.99 0.02 . 1 . . . . . . . . . 4751 1 125 . 1 1 20 20 TYR HE2 H 1 6.99 0.02 . 1 . . . . . . . . . 4751 1 126 . 1 1 20 20 TYR N N 15 125.0 0.1 . 1 . . . . . . . . . 4751 1 127 . 1 1 21 21 TYR H H 1 9.22 0.02 . 1 . . . . . . . . . 4751 1 128 . 1 1 21 21 TYR HA H 1 3.45 0.02 . 1 . . . . . . . . . 4751 1 129 . 1 1 21 21 TYR HB2 H 1 3.24 0.02 . 2 . . . . . . . . . 4751 1 130 . 1 1 21 21 TYR HB3 H 1 2.56 0.02 . 2 . . . . . . . . . 4751 1 131 . 1 1 21 21 TYR HD1 H 1 6.42 0.02 . 1 . . . . . . . . . 4751 1 132 . 1 1 21 21 TYR HD2 H 1 6.42 0.02 . 1 . . . . . . . . . 4751 1 133 . 1 1 21 21 TYR HE1 H 1 6.68 0.02 . 1 . . . . . . . . . 4751 1 134 . 1 1 21 21 TYR HE2 H 1 6.68 0.02 . 1 . . . . . . . . . 4751 1 135 . 1 1 21 21 TYR N N 15 129.2 0.1 . 1 . . . . . . . . . 4751 1 136 . 1 1 22 22 GLY H H 1 7.68 0.02 . 1 . . . . . . . . . 4751 1 137 . 1 1 22 22 GLY HA2 H 1 4.09 0.02 . 2 . . . . . . . . . 4751 1 138 . 1 1 22 22 GLY HA3 H 1 3.51 0.02 . 2 . . . . . . . . . 4751 1 139 . 1 1 22 22 GLY N N 15 101.5 0.1 . 1 . . . . . . . . . 4751 1 140 . 1 1 23 23 VAL H H 1 7.88 0.02 . 1 . . . . . . . . . 4751 1 141 . 1 1 23 23 VAL HA H 1 3.71 0.02 . 1 . . . . . . . . . 4751 1 142 . 1 1 23 23 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . . 4751 1 143 . 1 1 23 23 VAL HG11 H 1 0.60 0.02 . 2 . . . . . . . . . 4751 1 144 . 1 1 23 23 VAL HG12 H 1 0.60 0.02 . 2 . . . . . . . . . 4751 1 145 . 1 1 23 23 VAL HG13 H 1 0.60 0.02 . 2 . . . . . . . . . 4751 1 146 . 1 1 23 23 VAL HG21 H 1 -0.39 0.02 . 2 . . . . . . . . . 4751 1 147 . 1 1 23 23 VAL HG22 H 1 -0.39 0.02 . 2 . . . . . . . . . 4751 1 148 . 1 1 23 23 VAL HG23 H 1 -0.39 0.02 . 2 . . . . . . . . . 4751 1 149 . 1 1 23 23 VAL N N 15 124.8 0.1 . 1 . . . . . . . . . 4751 1 150 . 1 1 24 24 SER H H 1 8.29 0.02 . 1 . . . . . . . . . 4751 1 151 . 1 1 24 24 SER HA H 1 4.50 0.02 . 1 . . . . . . . . . 4751 1 152 . 1 1 24 24 SER HB2 H 1 3.40 0.02 . 1 . . . . . . . . . 4751 1 153 . 1 1 24 24 SER HB3 H 1 3.40 0.02 . 1 . . . . . . . . . 4751 1 154 . 1 1 24 24 SER N N 15 123.2 0.1 . 1 . . . . . . . . . 4751 1 155 . 1 1 25 25 LEU H H 1 9.37 0.02 . 1 . . . . . . . . . 4751 1 156 . 1 1 25 25 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . . 4751 1 157 . 1 1 25 25 LEU HB2 H 1 1.90 0.02 . 2 . . . . . . . . . 4751 1 158 . 1 1 25 25 LEU HB3 H 1 1.57 0.02 . 2 . . . . . . . . . 4751 1 159 . 1 1 25 25 LEU HG H 1 1.72 0.02 . 1 . . . . . . . . . 4751 1 160 . 1 1 25 25 LEU HD11 H 1 1.00 0.02 . 1 . . . . . . . . . 4751 1 161 . 1 1 25 25 LEU HD12 H 1 1.00 0.02 . 1 . . . . . . . . . 4751 1 162 . 1 1 25 25 LEU HD13 H 1 1.00 0.02 . 1 . . . . . . . . . 4751 1 163 . 1 1 25 25 LEU HD21 H 1 1.00 0.02 . 1 . . . . . . . . . 4751 1 164 . 1 1 25 25 LEU HD22 H 1 1.00 0.02 . 1 . . . . . . . . . 4751 1 165 . 1 1 25 25 LEU HD23 H 1 1.00 0.02 . 1 . . . . . . . . . 4751 1 166 . 1 1 25 25 LEU N N 15 120.5 0.1 . 1 . . . . . . . . . 4751 1 167 . 1 1 26 26 ALA H H 1 8.66 0.02 . 1 . . . . . . . . . 4751 1 168 . 1 1 26 26 ALA HA H 1 3.91 0.02 . 1 . . . . . . . . . 4751 1 169 . 1 1 26 26 ALA HB1 H 1 1.59 0.02 . 1 . . . . . . . . . 4751 1 170 . 1 1 26 26 ALA HB2 H 1 1.59 0.02 . 1 . . . . . . . . . 4751 1 171 . 1 1 26 26 ALA HB3 H 1 1.59 0.02 . 1 . . . . . . . . . 4751 1 172 . 1 1 26 26 ALA N N 15 117.8 0.1 . 1 . . . . . . . . . 4751 1 173 . 1 1 27 27 ASP H H 1 8.03 0.02 . 1 . . . . . . . . . 4751 1 174 . 1 1 27 27 ASP HA H 1 4.29 0.02 . 1 . . . . . . . . . 4751 1 175 . 1 1 27 27 ASP HB2 H 1 3.25 0.02 . 2 . . . . . . . . . 4751 1 176 . 1 1 27 27 ASP HB3 H 1 2.09 0.02 . 2 . . . . . . . . . 4751 1 177 . 1 1 27 27 ASP N N 15 118.3 0.1 . 1 . . . . . . . . . 4751 1 178 . 1 1 28 28 TRP H H 1 7.69 0.02 . 1 . . . . . . . . . 4751 1 179 . 1 1 28 28 TRP HA H 1 4.45 0.02 . 1 . . . . . . . . . 4751 1 180 . 1 1 28 28 TRP HB2 H 1 3.45 0.02 . 2 . . . . . . . . . 4751 1 181 . 1 1 28 28 TRP HB3 H 1 3.20 0.02 . 2 . . . . . . . . . 4751 1 182 . 1 1 28 28 TRP HD1 H 1 6.93 0.02 . 1 . . . . . . . . . 4751 1 183 . 1 1 28 28 TRP HE1 H 1 9.44 0.02 . 1 . . . . . . . . . 4751 1 184 . 1 1 28 28 TRP HE3 H 1 7.07 0.02 . 1 . . . . . . . . . 4751 1 185 . 1 1 28 28 TRP HZ2 H 1 6.17 0.02 . 1 . . . . . . . . . 4751 1 186 . 1 1 28 28 TRP HZ3 H 1 6.86 0.02 . 1 . . . . . . . . . 4751 1 187 . 1 1 28 28 TRP HH2 H 1 7.23 0.02 . 1 . . . . . . . . . 4751 1 188 . 1 1 28 28 TRP N N 15 117.2 0.1 . 1 . . . . . . . . . 4751 1 189 . 1 1 29 29 VAL H H 1 8.31 0.02 . 1 . . . . . . . . . 4751 1 190 . 1 1 29 29 VAL HA H 1 4.05 0.02 . 1 . . . . . . . . . 4751 1 191 . 1 1 29 29 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . . 4751 1 192 . 1 1 29 29 VAL HG11 H 1 1.20 0.02 . 2 . . . . . . . . . 4751 1 193 . 1 1 29 29 VAL HG12 H 1 1.20 0.02 . 2 . . . . . . . . . 4751 1 194 . 1 1 29 29 VAL HG13 H 1 1.20 0.02 . 2 . . . . . . . . . 4751 1 195 . 1 1 29 29 VAL HG21 H 1 1.67 0.02 . 2 . . . . . . . . . 4751 1 196 . 1 1 29 29 VAL HG22 H 1 1.67 0.02 . 2 . . . . . . . . . 4751 1 197 . 1 1 29 29 VAL HG23 H 1 1.67 0.02 . 2 . . . . . . . . . 4751 1 198 . 1 1 29 29 VAL N N 15 118.7 0.1 . 1 . . . . . . . . . 4751 1 199 . 1 1 30 30 CYS H H 1 8.40 0.02 . 1 . . . . . . . . . 4751 1 200 . 1 1 30 30 CYS HA H 1 2.98 0.02 . 1 . . . . . . . . . 4751 1 201 . 1 1 30 30 CYS HB2 H 1 3.23 0.02 . 1 . . . . . . . . . 4751 1 202 . 1 1 30 30 CYS HB3 H 1 3.23 0.02 . 1 . . . . . . . . . 4751 1 203 . 1 1 30 30 CYS N N 15 118.7 0.1 . 1 . . . . . . . . . 4751 1 204 . 1 1 31 31 LEU H H 1 8.59 0.02 . 1 . . . . . . . . . 4751 1 205 . 1 1 31 31 LEU HA H 1 3.90 0.02 . 1 . . . . . . . . . 4751 1 206 . 1 1 31 31 LEU HB2 H 1 2.31 0.02 . 2 . . . . . . . . . 4751 1 207 . 1 1 31 31 LEU HB3 H 1 1.67 0.02 . 2 . . . . . . . . . 4751 1 208 . 1 1 31 31 LEU HG H 1 1.02 0.02 . 1 . . . . . . . . . 4751 1 209 . 1 1 31 31 LEU HD11 H 1 0.50 0.02 . 2 . . . . . . . . . 4751 1 210 . 1 1 31 31 LEU HD12 H 1 0.50 0.02 . 2 . . . . . . . . . 4751 1 211 . 1 1 31 31 LEU HD13 H 1 0.50 0.02 . 2 . . . . . . . . . 4751 1 212 . 1 1 31 31 LEU HD21 H 1 0.05 0.02 . 2 . . . . . . . . . 4751 1 213 . 1 1 31 31 LEU HD22 H 1 0.05 0.02 . 2 . . . . . . . . . 4751 1 214 . 1 1 31 31 LEU HD23 H 1 0.05 0.02 . 2 . . . . . . . . . 4751 1 215 . 1 1 31 31 LEU N N 15 121.0 0.1 . 1 . . . . . . . . . 4751 1 216 . 1 1 32 32 ALA H H 1 8.32 0.02 . 1 . . . . . . . . . 4751 1 217 . 1 1 32 32 ALA HA H 1 3.82 0.02 . 1 . . . . . . . . . 4751 1 218 . 1 1 32 32 ALA HB1 H 1 1.01 0.02 . 1 . . . . . . . . . 4751 1 219 . 1 1 32 32 ALA HB2 H 1 1.01 0.02 . 1 . . . . . . . . . 4751 1 220 . 1 1 32 32 ALA HB3 H 1 1.01 0.02 . 1 . . . . . . . . . 4751 1 221 . 1 1 32 32 ALA N N 15 120.2 0.1 . 1 . . . . . . . . . 4751 1 222 . 1 1 33 33 GLN H H 1 8.56 0.02 . 1 . . . . . . . . . 4751 1 223 . 1 1 33 33 GLN HA H 1 2.39 0.02 . 1 . . . . . . . . . 4751 1 224 . 1 1 33 33 GLN HB2 H 1 1.67 0.02 . 2 . . . . . . . . . 4751 1 225 . 1 1 33 33 GLN HB3 H 1 1.01 0.02 . 2 . . . . . . . . . 4751 1 226 . 1 1 33 33 GLN N N 15 117.8 0.1 . 1 . . . . . . . . . 4751 1 227 . 1 1 34 34 HIS H H 1 7.40 0.02 . 1 . . . . . . . . . 4751 1 228 . 1 1 34 34 HIS HA H 1 4.17 0.02 . 1 . . . . . . . . . 4751 1 229 . 1 1 34 34 HIS HB2 H 1 3.13 0.02 . 2 . . . . . . . . . 4751 1 230 . 1 1 34 34 HIS HB3 H 1 2.76 0.02 . 2 . . . . . . . . . 4751 1 231 . 1 1 34 34 HIS N N 15 111.4 0.1 . 1 . . . . . . . . . 4751 1 232 . 1 1 35 35 GLU H H 1 8.45 0.02 . 1 . . . . . . . . . 4751 1 233 . 1 1 35 35 GLU HA H 1 4.47 0.02 . 1 . . . . . . . . . 4751 1 234 . 1 1 35 35 GLU HB2 H 1 1.89 0.02 . 2 . . . . . . . . . 4751 1 235 . 1 1 35 35 GLU HB3 H 1 2.05 0.02 . 2 . . . . . . . . . 4751 1 236 . 1 1 35 35 GLU HG2 H 1 1.67 0.02 . 2 . . . . . . . . . 4751 1 237 . 1 1 35 35 GLU HG3 H 1 2.56 0.02 . 2 . . . . . . . . . 4751 1 238 . 1 1 35 35 GLU N N 15 117.4 0.1 . 1 . . . . . . . . . 4751 1 239 . 1 1 36 36 SER H H 1 8.08 0.02 . 1 . . . . . . . . . 4751 1 240 . 1 1 36 36 SER HA H 1 4.53 0.02 . 1 . . . . . . . . . 4751 1 241 . 1 1 36 36 SER HB2 H 1 3.47 0.02 . 1 . . . . . . . . . 4751 1 242 . 1 1 36 36 SER HB3 H 1 3.47 0.02 . 1 . . . . . . . . . 4751 1 243 . 1 1 36 36 SER N N 15 108.6 0.1 . 1 . . . . . . . . . 4751 1 244 . 1 1 37 37 ASN H H 1 7.97 0.02 . 1 . . . . . . . . . 4751 1 245 . 1 1 37 37 ASN HA H 1 4.25 0.02 . 1 . . . . . . . . . 4751 1 246 . 1 1 37 37 ASN HB2 H 1 3.20 0.02 . 2 . . . . . . . . . 4751 1 247 . 1 1 37 37 ASN HB3 H 1 2.56 0.02 . 2 . . . . . . . . . 4751 1 248 . 1 1 37 37 ASN N N 15 123.9 0.1 . 1 . . . . . . . . . 4751 1 249 . 1 1 38 38 TYR H H 1 6.83 0.02 . 1 . . . . . . . . . 4751 1 250 . 1 1 38 38 TYR HA H 1 3.53 0.02 . 1 . . . . . . . . . 4751 1 251 . 1 1 38 38 TYR HB2 H 1 3.10 0.02 . 2 . . . . . . . . . 4751 1 252 . 1 1 38 38 TYR HB3 H 1 3.03 0.02 . 2 . . . . . . . . . 4751 1 253 . 1 1 38 38 TYR HD1 H 1 6.23 0.02 . 1 . . . . . . . . . 4751 1 254 . 1 1 38 38 TYR HD2 H 1 6.23 0.02 . 1 . . . . . . . . . 4751 1 255 . 1 1 38 38 TYR HE1 H 1 6.72 0.02 . 1 . . . . . . . . . 4751 1 256 . 1 1 38 38 TYR HE2 H 1 6.72 0.02 . 1 . . . . . . . . . 4751 1 257 . 1 1 38 38 TYR N N 15 104.6 0.1 . 1 . . . . . . . . . 4751 1 258 . 1 1 39 39 ASN H H 1 7.14 0.02 . 1 . . . . . . . . . 4751 1 259 . 1 1 39 39 ASN HA H 1 5.35 0.02 . 1 . . . . . . . . . 4751 1 260 . 1 1 39 39 ASN HB2 H 1 2.77 0.02 . 2 . . . . . . . . . 4751 1 261 . 1 1 39 39 ASN HB3 H 1 3.40 0.02 . 2 . . . . . . . . . 4751 1 262 . 1 1 39 39 ASN N N 15 117.7 0.1 . 1 . . . . . . . . . 4751 1 263 . 1 1 40 40 THR H H 1 9.10 0.02 . 1 . . . . . . . . . 4751 1 264 . 1 1 40 40 THR HA H 1 4.01 0.02 . 1 . . . . . . . . . 4751 1 265 . 1 1 40 40 THR HB H 1 4.51 0.02 . 1 . . . . . . . . . 4751 1 266 . 1 1 40 40 THR HG21 H 1 1.66 0.02 . 1 . . . . . . . . . 4751 1 267 . 1 1 40 40 THR HG22 H 1 1.66 0.02 . 1 . . . . . . . . . 4751 1 268 . 1 1 40 40 THR HG23 H 1 1.66 0.02 . 1 . . . . . . . . . 4751 1 269 . 1 1 40 40 THR N N 15 115.5 0.1 . 1 . . . . . . . . . 4751 1 270 . 1 1 41 41 ARG H H 1 7.67 0.02 . 1 . . . . . . . . . 4751 1 271 . 1 1 41 41 ARG HA H 1 4.51 0.02 . 1 . . . . . . . . . 4751 1 272 . 1 1 41 41 ARG HB2 H 1 2.11 0.02 . 2 . . . . . . . . . 4751 1 273 . 1 1 41 41 ARG HB3 H 1 1.73 0.02 . 2 . . . . . . . . . 4751 1 274 . 1 1 41 41 ARG N N 15 114.5 0.1 . 1 . . . . . . . . . 4751 1 275 . 1 1 42 42 ALA H H 1 6.86 0.02 . 1 . . . . . . . . . 4751 1 276 . 1 1 42 42 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . . 4751 1 277 . 1 1 42 42 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . . 4751 1 278 . 1 1 42 42 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . . 4751 1 279 . 1 1 42 42 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . . 4751 1 280 . 1 1 42 42 ALA N N 15 122.4 0.1 . 1 . . . . . . . . . 4751 1 281 . 1 1 43 43 THR H H 1 8.18 0.02 . 1 . . . . . . . . . 4751 1 282 . 1 1 43 43 THR HA H 1 5.24 0.02 . 1 . . . . . . . . . 4751 1 283 . 1 1 43 43 THR HB H 1 3.79 0.02 . 1 . . . . . . . . . 4751 1 284 . 1 1 43 43 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . . 4751 1 285 . 1 1 43 43 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . . 4751 1 286 . 1 1 43 43 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . . 4751 1 287 . 1 1 43 43 THR N N 15 112.9 0.1 . 1 . . . . . . . . . 4751 1 288 . 1 1 44 44 ASN H H 1 8.11 0.02 . 1 . . . . . . . . . 4751 1 289 . 1 1 44 44 ASN HA H 1 5.04 0.02 . 1 . . . . . . . . . 4751 1 290 . 1 1 44 44 ASN HB2 H 1 2.71 0.02 . 2 . . . . . . . . . 4751 1 291 . 1 1 44 44 ASN HB3 H 1 2.80 0.02 . 2 . . . . . . . . . 4751 1 292 . 1 1 44 44 ASN N N 15 119.0 0.1 . 1 . . . . . . . . . 4751 1 293 . 1 1 45 45 TYR H H 1 8.90 0.02 . 1 . . . . . . . . . 4751 1 294 . 1 1 45 45 TYR HA H 1 4.86 0.02 . 1 . . . . . . . . . 4751 1 295 . 1 1 45 45 TYR HB2 H 1 2.80 0.02 . 2 . . . . . . . . . 4751 1 296 . 1 1 45 45 TYR HB3 H 1 3.00 0.02 . 2 . . . . . . . . . 4751 1 297 . 1 1 45 45 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . . 4751 1 298 . 1 1 45 45 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . . 4751 1 299 . 1 1 45 45 TYR HE1 H 1 6.56 0.02 . 1 . . . . . . . . . 4751 1 300 . 1 1 45 45 TYR HE2 H 1 6.56 0.02 . 1 . . . . . . . . . 4751 1 301 . 1 1 45 45 TYR N N 15 127.4 0.1 . 1 . . . . . . . . . 4751 1 302 . 1 1 46 46 ASN H H 1 8.94 0.02 . 1 . . . . . . . . . 4751 1 303 . 1 1 46 46 ASN HA H 1 4.73 0.02 . 1 . . . . . . . . . 4751 1 304 . 1 1 46 46 ASN HB2 H 1 2.78 0.02 . 2 . . . . . . . . . 4751 1 305 . 1 1 46 46 ASN HB3 H 1 2.70 0.02 . 2 . . . . . . . . . 4751 1 306 . 1 1 46 46 ASN N N 15 127.8 0.1 . 1 . . . . . . . . . 4751 1 307 . 1 1 47 47 ARG H H 1 8.47 0.02 . 1 . . . . . . . . . 4751 1 308 . 1 1 47 47 ARG HA H 1 3.69 0.02 . 1 . . . . . . . . . 4751 1 309 . 1 1 47 47 ARG HB2 H 1 1.81 0.02 . 2 . . . . . . . . . 4751 1 310 . 1 1 47 47 ARG HB3 H 1 1.90 0.02 . 2 . . . . . . . . . 4751 1 311 . 1 1 47 47 ARG N N 15 122.6 0.1 . 1 . . . . . . . . . 4751 1 312 . 1 1 48 48 GLY H H 1 8.64 0.02 . 1 . . . . . . . . . 4751 1 313 . 1 1 48 48 GLY HA2 H 1 3.87 0.02 . 2 . . . . . . . . . 4751 1 314 . 1 1 48 48 GLY HA3 H 1 3.81 0.02 . 2 . . . . . . . . . 4751 1 315 . 1 1 48 48 GLY N N 15 106.0 0.1 . 1 . . . . . . . . . 4751 1 316 . 1 1 49 49 ASP H H 1 7.15 0.02 . 1 . . . . . . . . . 4751 1 317 . 1 1 49 49 ASP HA H 1 4.73 0.02 . 1 . . . . . . . . . 4751 1 318 . 1 1 49 49 ASP HB2 H 1 2.96 0.02 . 2 . . . . . . . . . 4751 1 319 . 1 1 49 49 ASP HB3 H 1 2.43 0.02 . 2 . . . . . . . . . 4751 1 320 . 1 1 49 49 ASP N N 15 116.6 0.1 . 1 . . . . . . . . . 4751 1 321 . 1 1 50 50 GLN H H 1 7.82 0.02 . 1 . . . . . . . . . 4751 1 322 . 1 1 50 50 GLN HA H 1 3.83 0.02 . 1 . . . . . . . . . 4751 1 323 . 1 1 50 50 GLN HB2 H 1 2.48 0.02 . 2 . . . . . . . . . 4751 1 324 . 1 1 50 50 GLN HB3 H 1 2.25 0.02 . 2 . . . . . . . . . 4751 1 325 . 1 1 50 50 GLN N N 15 112.6 0.1 . 1 . . . . . . . . . 4751 1 326 . 1 1 51 51 SER H H 1 7.96 0.02 . 1 . . . . . . . . . 4751 1 327 . 1 1 51 51 SER HA H 1 4.72 0.02 . 1 . . . . . . . . . 4751 1 328 . 1 1 51 51 SER HB2 H 1 3.57 0.02 . 1 . . . . . . . . . 4751 1 329 . 1 1 51 51 SER HB3 H 1 3.57 0.02 . 1 . . . . . . . . . 4751 1 330 . 1 1 51 51 SER N N 15 113.4 0.1 . 1 . . . . . . . . . 4751 1 331 . 1 1 52 52 THR H H 1 9.15 0.02 . 1 . . . . . . . . . 4751 1 332 . 1 1 52 52 THR HA H 1 5.10 0.02 . 1 . . . . . . . . . 4751 1 333 . 1 1 52 52 THR HB H 1 3.84 0.02 . 1 . . . . . . . . . 4751 1 334 . 1 1 52 52 THR HG21 H 1 0.39 0.02 . 1 . . . . . . . . . 4751 1 335 . 1 1 52 52 THR HG22 H 1 0.39 0.02 . 1 . . . . . . . . . 4751 1 336 . 1 1 52 52 THR HG23 H 1 0.39 0.02 . 1 . . . . . . . . . 4751 1 337 . 1 1 52 52 THR N N 15 116.4 0.1 . 1 . . . . . . . . . 4751 1 338 . 1 1 53 53 ASP H H 1 8.93 0.02 . 1 . . . . . . . . . 4751 1 339 . 1 1 53 53 ASP HA H 1 5.24 0.02 . 1 . . . . . . . . . 4751 1 340 . 1 1 53 53 ASP HB2 H 1 2.05 0.02 . 2 . . . . . . . . . 4751 1 341 . 1 1 53 53 ASP HB3 H 1 2.69 0.02 . 2 . . . . . . . . . 4751 1 342 . 1 1 53 53 ASP N N 15 124.6 0.1 . 1 . . . . . . . . . 4751 1 343 . 1 1 54 54 TYR H H 1 9.20 0.02 . 1 . . . . . . . . . 4751 1 344 . 1 1 54 54 TYR HA H 1 4.82 0.02 . 1 . . . . . . . . . 4751 1 345 . 1 1 54 54 TYR HB2 H 1 3.02 0.02 . 2 . . . . . . . . . 4751 1 346 . 1 1 54 54 TYR HB3 H 1 2.71 0.02 . 2 . . . . . . . . . 4751 1 347 . 1 1 54 54 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . . 4751 1 348 . 1 1 54 54 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . . 4751 1 349 . 1 1 54 54 TYR HE1 H 1 6.86 0.02 . 1 . . . . . . . . . 4751 1 350 . 1 1 54 54 TYR HE2 H 1 6.86 0.02 . 1 . . . . . . . . . 4751 1 351 . 1 1 54 54 TYR N N 15 118.3 0.1 . 1 . . . . . . . . . 4751 1 352 . 1 1 55 55 GLY H H 1 9.15 0.02 . 1 . . . . . . . . . 4751 1 353 . 1 1 55 55 GLY HA2 H 1 4.60 0.02 . 1 . . . . . . . . . 4751 1 354 . 1 1 55 55 GLY HA3 H 1 4.60 0.02 . 1 . . . . . . . . . 4751 1 355 . 1 1 55 55 GLY N N 15 112.1 0.1 . 1 . . . . . . . . . 4751 1 356 . 1 1 56 56 ILE H H 1 9.18 0.02 . 1 . . . . . . . . . 4751 1 357 . 1 1 56 56 ILE HA H 1 4.02 0.02 . 1 . . . . . . . . . 4751 1 358 . 1 1 56 56 ILE HB H 1 1.20 0.02 . 1 . . . . . . . . . 4751 1 359 . 1 1 56 56 ILE N N 15 123.0 0.1 . 1 . . . . . . . . . 4751 1 360 . 1 1 57 57 PHE H H 1 8.56 0.02 . 1 . . . . . . . . . 4751 1 361 . 1 1 57 57 PHE HA H 1 4.58 0.02 . 1 . . . . . . . . . 4751 1 362 . 1 1 57 57 PHE HB2 H 1 3.52 0.02 . 2 . . . . . . . . . 4751 1 363 . 1 1 57 57 PHE HB3 H 1 2.88 0.02 . 2 . . . . . . . . . 4751 1 364 . 1 1 57 57 PHE HD1 H 1 6.94 0.02 . 1 . . . . . . . . . 4751 1 365 . 1 1 57 57 PHE HD2 H 1 6.94 0.02 . 1 . . . . . . . . . 4751 1 366 . 1 1 57 57 PHE HE1 H 1 6.84 0.02 . 1 . . . . . . . . . 4751 1 367 . 1 1 57 57 PHE HE2 H 1 6.84 0.02 . 1 . . . . . . . . . 4751 1 368 . 1 1 57 57 PHE HZ H 1 6.68 0.02 . 1 . . . . . . . . . 4751 1 369 . 1 1 57 57 PHE N N 15 115.6 0.1 . 1 . . . . . . . . . 4751 1 370 . 1 1 58 58 GLN H H 1 7.88 0.02 . 1 . . . . . . . . . 4751 1 371 . 1 1 58 58 GLN HA H 1 3.49 0.02 . 1 . . . . . . . . . 4751 1 372 . 1 1 58 58 GLN HB2 H 1 2.45 0.02 . 2 . . . . . . . . . 4751 1 373 . 1 1 58 58 GLN HB3 H 1 1.95 0.02 . 2 . . . . . . . . . 4751 1 374 . 1 1 58 58 GLN N N 15 113.8 0.1 . 1 . . . . . . . . . 4751 1 375 . 1 1 59 59 ILE H H 1 7.85 0.02 . 1 . . . . . . . . . 4751 1 376 . 1 1 59 59 ILE HA H 1 4.35 0.02 . 1 . . . . . . . . . 4751 1 377 . 1 1 59 59 ILE HB H 1 1.92 0.02 . 1 . . . . . . . . . 4751 1 378 . 1 1 59 59 ILE HG12 H 1 1.28 0.02 . 1 . . . . . . . . . 4751 1 379 . 1 1 59 59 ILE HG13 H 1 1.28 0.02 . 1 . . . . . . . . . 4751 1 380 . 1 1 59 59 ILE HG21 H 1 1.09 0.02 . 1 . . . . . . . . . 4751 1 381 . 1 1 59 59 ILE HG22 H 1 1.09 0.02 . 1 . . . . . . . . . 4751 1 382 . 1 1 59 59 ILE HG23 H 1 1.09 0.02 . 1 . . . . . . . . . 4751 1 383 . 1 1 59 59 ILE HD11 H 1 0.97 0.02 . 1 . . . . . . . . . 4751 1 384 . 1 1 59 59 ILE HD12 H 1 0.97 0.02 . 1 . . . . . . . . . 4751 1 385 . 1 1 59 59 ILE HD13 H 1 0.97 0.02 . 1 . . . . . . . . . 4751 1 386 . 1 1 59 59 ILE N N 15 121.9 0.1 . 1 . . . . . . . . . 4751 1 387 . 1 1 60 60 ASN H H 1 8.53 0.02 . 1 . . . . . . . . . 4751 1 388 . 1 1 60 60 ASN HA H 1 5.69 0.02 . 1 . . . . . . . . . 4751 1 389 . 1 1 60 60 ASN HB2 H 1 3.39 0.02 . 2 . . . . . . . . . 4751 1 390 . 1 1 60 60 ASN HB3 H 1 2.99 0.02 . 2 . . . . . . . . . 4751 1 391 . 1 1 60 60 ASN N N 15 127.9 0.1 . 1 . . . . . . . . . 4751 1 392 . 1 1 61 61 SER H H 1 9.26 0.02 . 1 . . . . . . . . . 4751 1 393 . 1 1 61 61 SER HA H 1 5.17 0.02 . 1 . . . . . . . . . 4751 1 394 . 1 1 61 61 SER HB2 H 1 4.47 0.02 . 1 . . . . . . . . . 4751 1 395 . 1 1 61 61 SER HB3 H 1 4.47 0.02 . 1 . . . . . . . . . 4751 1 396 . 1 1 61 61 SER N N 15 120.2 0.1 . 1 . . . . . . . . . 4751 1 397 . 1 1 62 62 ARG H H 1 8.70 0.02 . 1 . . . . . . . . . 4751 1 398 . 1 1 62 62 ARG HA H 1 4.21 0.02 . 1 . . . . . . . . . 4751 1 399 . 1 1 62 62 ARG HB2 H 1 1.42 0.02 . 2 . . . . . . . . . 4751 1 400 . 1 1 62 62 ARG HB3 H 1 1.12 0.02 . 2 . . . . . . . . . 4751 1 401 . 1 1 62 62 ARG N N 15 123.0 0.1 . 1 . . . . . . . . . 4751 1 402 . 1 1 63 63 TYR H H 1 7.10 0.02 . 1 . . . . . . . . . 4751 1 403 . 1 1 63 63 TYR HA H 1 4.41 0.02 . 1 . . . . . . . . . 4751 1 404 . 1 1 63 63 TYR HB2 H 1 1.79 0.02 . 2 . . . . . . . . . 4751 1 405 . 1 1 63 63 TYR HB3 H 1 1.55 0.02 . 2 . . . . . . . . . 4751 1 406 . 1 1 63 63 TYR HD1 H 1 6.70 0.02 . 1 . . . . . . . . . 4751 1 407 . 1 1 63 63 TYR HD2 H 1 6.70 0.02 . 1 . . . . . . . . . 4751 1 408 . 1 1 63 63 TYR HE1 H 1 6.64 0.02 . 1 . . . . . . . . . 4751 1 409 . 1 1 63 63 TYR HE2 H 1 6.64 0.02 . 1 . . . . . . . . . 4751 1 410 . 1 1 63 63 TYR N N 15 113.5 0.1 . 1 . . . . . . . . . 4751 1 411 . 1 1 64 64 TRP H H 1 7.37 0.02 . 1 . . . . . . . . . 4751 1 412 . 1 1 64 64 TRP HA H 1 5.14 0.02 . 1 . . . . . . . . . 4751 1 413 . 1 1 64 64 TRP HB2 H 1 3.33 0.02 . 2 . . . . . . . . . 4751 1 414 . 1 1 64 64 TRP HB3 H 1 3.39 0.02 . 2 . . . . . . . . . 4751 1 415 . 1 1 64 64 TRP HD1 H 1 7.62 0.02 . 1 . . . . . . . . . 4751 1 416 . 1 1 64 64 TRP HE1 H 1 10.27 0.02 . 1 . . . . . . . . . 4751 1 417 . 1 1 64 64 TRP HE3 H 1 7.63 0.02 . 1 . . . . . . . . . 4751 1 418 . 1 1 64 64 TRP HZ2 H 1 6.69 0.02 . 1 . . . . . . . . . 4751 1 419 . 1 1 64 64 TRP HZ3 H 1 7.13 0.02 . 1 . . . . . . . . . 4751 1 420 . 1 1 64 64 TRP HH2 H 1 7.25 0.02 . 1 . . . . . . . . . 4751 1 421 . 1 1 64 64 TRP N N 15 114.2 0.1 . 1 . . . . . . . . . 4751 1 422 . 1 1 65 65 CYS H H 1 7.48 0.02 . 1 . . . . . . . . . 4751 1 423 . 1 1 65 65 CYS HA H 1 5.68 0.02 . 1 . . . . . . . . . 4751 1 424 . 1 1 65 65 CYS HB2 H 1 2.90 0.02 . 2 . . . . . . . . . 4751 1 425 . 1 1 65 65 CYS HB3 H 1 2.55 0.02 . 2 . . . . . . . . . 4751 1 426 . 1 1 65 65 CYS N N 15 110.7 0.1 . 1 . . . . . . . . . 4751 1 427 . 1 1 66 66 ASN H H 1 8.63 0.02 . 1 . . . . . . . . . 4751 1 428 . 1 1 66 66 ASN HA H 1 5.69 0.02 . 1 . . . . . . . . . 4751 1 429 . 1 1 66 66 ASN HB2 H 1 2.91 0.02 . 2 . . . . . . . . . 4751 1 430 . 1 1 66 66 ASN HB3 H 1 2.54 0.02 . 2 . . . . . . . . . 4751 1 431 . 1 1 66 66 ASN N N 15 118.6 0.1 . 1 . . . . . . . . . 4751 1 432 . 1 1 67 67 ASP H H 1 10.28 0.02 . 1 . . . . . . . . . 4751 1 433 . 1 1 67 67 ASP HA H 1 4.91 0.02 . 1 . . . . . . . . . 4751 1 434 . 1 1 67 67 ASP HB2 H 1 3.27 0.02 . 2 . . . . . . . . . 4751 1 435 . 1 1 67 67 ASP HB3 H 1 2.26 0.02 . 2 . . . . . . . . . 4751 1 436 . 1 1 67 67 ASP N N 15 130.3 0.1 . 1 . . . . . . . . . 4751 1 437 . 1 1 68 68 GLY H H 1 8.12 0.02 . 1 . . . . . . . . . 4751 1 438 . 1 1 68 68 GLY HA2 H 1 3.86 0.02 . 2 . . . . . . . . . 4751 1 439 . 1 1 68 68 GLY HA3 H 1 4.12 0.02 . 2 . . . . . . . . . 4751 1 440 . 1 1 68 68 GLY N N 15 108.1 0.1 . 1 . . . . . . . . . 4751 1 441 . 1 1 69 69 LYS H H 1 8.10 0.02 . 1 . . . . . . . . . 4751 1 442 . 1 1 69 69 LYS HA H 1 4.76 0.02 . 1 . . . . . . . . . 4751 1 443 . 1 1 69 69 LYS HB2 H 1 1.37 0.02 . 2 . . . . . . . . . 4751 1 444 . 1 1 69 69 LYS HB3 H 1 1.28 0.02 . 2 . . . . . . . . . 4751 1 445 . 1 1 69 69 LYS N N 15 117.5 0.1 . 1 . . . . . . . . . 4751 1 446 . 1 1 70 70 THR H H 1 8.34 0.02 . 1 . . . . . . . . . 4751 1 447 . 1 1 70 70 THR HA H 1 4.82 0.02 . 1 . . . . . . . . . 4751 1 448 . 1 1 70 70 THR HB H 1 4.14 0.02 . 1 . . . . . . . . . 4751 1 449 . 1 1 70 70 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . . 4751 1 450 . 1 1 70 70 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . . 4751 1 451 . 1 1 70 70 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . . 4751 1 452 . 1 1 70 70 THR N N 15 121.1 0.1 . 1 . . . . . . . . . 4751 1 453 . 1 1 71 71 PRO HA H 1 4.71 0.02 . 1 . . . . . . . . . 4751 1 454 . 1 1 72 72 ARG H H 1 8.80 0.02 . 1 . . . . . . . . . 4751 1 455 . 1 1 72 72 ARG HA H 1 3.82 0.02 . 1 . . . . . . . . . 4751 1 456 . 1 1 72 72 ARG HB2 H 1 1.90 0.02 . 2 . . . . . . . . . 4751 1 457 . 1 1 72 72 ARG HB3 H 1 1.55 0.02 . 2 . . . . . . . . . 4751 1 458 . 1 1 72 72 ARG N N 15 115.3 0.1 . 1 . . . . . . . . . 4751 1 459 . 1 1 73 73 ALA H H 1 7.36 0.02 . 1 . . . . . . . . . 4751 1 460 . 1 1 73 73 ALA HA H 1 4.76 0.02 . 1 . . . . . . . . . 4751 1 461 . 1 1 73 73 ALA HB1 H 1 1.57 0.02 . 1 . . . . . . . . . 4751 1 462 . 1 1 73 73 ALA HB2 H 1 1.57 0.02 . 1 . . . . . . . . . 4751 1 463 . 1 1 73 73 ALA HB3 H 1 1.57 0.02 . 1 . . . . . . . . . 4751 1 464 . 1 1 73 73 ALA N N 15 120.5 0.1 . 1 . . . . . . . . . 4751 1 465 . 1 1 74 74 VAL H H 1 7.93 0.02 . 1 . . . . . . . . . 4751 1 466 . 1 1 74 74 VAL HA H 1 3.98 0.02 . 1 . . . . . . . . . 4751 1 467 . 1 1 74 74 VAL HB H 1 1.99 0.02 . 1 . . . . . . . . . 4751 1 468 . 1 1 74 74 VAL HG11 H 1 0.95 0.02 . 2 . . . . . . . . . 4751 1 469 . 1 1 74 74 VAL HG12 H 1 0.95 0.02 . 2 . . . . . . . . . 4751 1 470 . 1 1 74 74 VAL HG13 H 1 0.95 0.02 . 2 . . . . . . . . . 4751 1 471 . 1 1 74 74 VAL HG21 H 1 0.81 0.02 . 2 . . . . . . . . . 4751 1 472 . 1 1 74 74 VAL HG22 H 1 0.81 0.02 . 2 . . . . . . . . . 4751 1 473 . 1 1 74 74 VAL HG23 H 1 0.81 0.02 . 2 . . . . . . . . . 4751 1 474 . 1 1 74 74 VAL N N 15 118.6 0.1 . 1 . . . . . . . . . 4751 1 475 . 1 1 75 75 ASN H H 1 8.59 0.02 . 1 . . . . . . . . . 4751 1 476 . 1 1 75 75 ASN HA H 1 4.03 0.02 . 1 . . . . . . . . . 4751 1 477 . 1 1 75 75 ASN HB2 H 1 3.07 0.02 . 2 . . . . . . . . . 4751 1 478 . 1 1 75 75 ASN HB3 H 1 2.24 0.02 . 2 . . . . . . . . . 4751 1 479 . 1 1 75 75 ASN N N 15 119.1 0.1 . 1 . . . . . . . . . 4751 1 480 . 1 1 76 76 ALA H H 1 8.38 0.02 . 1 . . . . . . . . . 4751 1 481 . 1 1 76 76 ALA HA H 1 4.21 0.02 . 1 . . . . . . . . . 4751 1 482 . 1 1 76 76 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . . 4751 1 483 . 1 1 76 76 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . . 4751 1 484 . 1 1 76 76 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . . 4751 1 485 . 1 1 76 76 ALA N N 15 121.3 0.1 . 1 . . . . . . . . . 4751 1 486 . 1 1 77 77 CYS H H 1 9.40 0.02 . 1 . . . . . . . . . 4751 1 487 . 1 1 77 77 CYS HA H 1 4.45 0.02 . 1 . . . . . . . . . 4751 1 488 . 1 1 77 77 CYS HB2 H 1 3.51 0.02 . 2 . . . . . . . . . 4751 1 489 . 1 1 77 77 CYS HB3 H 1 3.68 0.02 . 2 . . . . . . . . . 4751 1 490 . 1 1 77 77 CYS N N 15 111.1 0.1 . 1 . . . . . . . . . 4751 1 491 . 1 1 78 78 GLY H H 1 7.68 0.02 . 1 . . . . . . . . . 4751 1 492 . 1 1 78 78 GLY HA2 H 1 3.66 0.02 . 2 . . . . . . . . . 4751 1 493 . 1 1 78 78 GLY HA3 H 1 3.76 0.02 . 2 . . . . . . . . . 4751 1 494 . 1 1 78 78 GLY N N 15 111.3 0.1 . 1 . . . . . . . . . 4751 1 495 . 1 1 79 79 ILE H H 1 8.25 0.02 . 1 . . . . . . . . . 4751 1 496 . 1 1 79 79 ILE HA H 1 4.75 0.02 . 1 . . . . . . . . . 4751 1 497 . 1 1 79 79 ILE HB H 1 1.78 0.02 . 1 . . . . . . . . . 4751 1 498 . 1 1 79 79 ILE HG12 H 1 1.34 0.02 . 1 . . . . . . . . . 4751 1 499 . 1 1 79 79 ILE HG13 H 1 1.34 0.02 . 1 . . . . . . . . . 4751 1 500 . 1 1 79 79 ILE HG21 H 1 1.02 0.02 . 1 . . . . . . . . . 4751 1 501 . 1 1 79 79 ILE HG22 H 1 1.02 0.02 . 1 . . . . . . . . . 4751 1 502 . 1 1 79 79 ILE HG23 H 1 1.02 0.02 . 1 . . . . . . . . . 4751 1 503 . 1 1 79 79 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . . 4751 1 504 . 1 1 79 79 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . . 4751 1 505 . 1 1 79 79 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . . 4751 1 506 . 1 1 79 79 ILE N N 15 113.9 0.1 . 1 . . . . . . . . . 4751 1 507 . 1 1 80 80 ASN H H 1 8.67 0.02 . 1 . . . . . . . . . 4751 1 508 . 1 1 80 80 ASN HA H 1 5.40 0.02 . 1 . . . . . . . . . 4751 1 509 . 1 1 80 80 ASN HB2 H 1 2.70 0.02 . 2 . . . . . . . . . 4751 1 510 . 1 1 80 80 ASN HB3 H 1 2.87 0.02 . 2 . . . . . . . . . 4751 1 511 . 1 1 80 80 ASN N N 15 122.0 0.1 . 1 . . . . . . . . . 4751 1 512 . 1 1 81 81 CYS H H 1 8.74 0.02 . 1 . . . . . . . . . 4751 1 513 . 1 1 81 81 CYS HA H 1 3.89 0.02 . 1 . . . . . . . . . 4751 1 514 . 1 1 81 81 CYS N N 15 123.8 0.1 . 1 . . . . . . . . . 4751 1 515 . 1 1 82 82 SER H H 1 8.80 0.02 . 1 . . . . . . . . . 4751 1 516 . 1 1 82 82 SER HA H 1 3.89 0.02 . 1 . . . . . . . . . 4751 1 517 . 1 1 82 82 SER N N 15 114.5 0.1 . 1 . . . . . . . . . 4751 1 518 . 1 1 83 83 ALA H H 1 7.91 0.02 . 1 . . . . . . . . . 4751 1 519 . 1 1 83 83 ALA HA H 1 4.34 0.02 . 1 . . . . . . . . . 4751 1 520 . 1 1 83 83 ALA HB1 H 1 1.54 0.02 . 1 . . . . . . . . . 4751 1 521 . 1 1 83 83 ALA HB2 H 1 1.54 0.02 . 1 . . . . . . . . . 4751 1 522 . 1 1 83 83 ALA HB3 H 1 1.54 0.02 . 1 . . . . . . . . . 4751 1 523 . 1 1 83 83 ALA N N 15 125.9 0.1 . 1 . . . . . . . . . 4751 1 524 . 1 1 84 84 LEU H H 1 8.02 0.02 . 1 . . . . . . . . . 4751 1 525 . 1 1 84 84 LEU HA H 1 4.40 0.02 . 1 . . . . . . . . . 4751 1 526 . 1 1 84 84 LEU HB2 H 1 2.27 0.02 . 2 . . . . . . . . . 4751 1 527 . 1 1 84 84 LEU HB3 H 1 1.66 0.02 . 2 . . . . . . . . . 4751 1 528 . 1 1 84 84 LEU N N 15 115.5 0.1 . 1 . . . . . . . . . 4751 1 529 . 1 1 85 85 LEU H H 1 7.22 0.02 . 1 . . . . . . . . . 4751 1 530 . 1 1 85 85 LEU HA H 1 5.63 0.02 . 1 . . . . . . . . . 4751 1 531 . 1 1 85 85 LEU HB2 H 1 1.79 0.02 . 2 . . . . . . . . . 4751 1 532 . 1 1 85 85 LEU HB3 H 1 1.72 0.02 . 2 . . . . . . . . . 4751 1 533 . 1 1 85 85 LEU N N 15 117.7 0.1 . 1 . . . . . . . . . 4751 1 534 . 1 1 86 86 GLN H H 1 6.85 0.02 . 1 . . . . . . . . . 4751 1 535 . 1 1 86 86 GLN HA H 1 4.43 0.02 . 1 . . . . . . . . . 4751 1 536 . 1 1 86 86 GLN HB2 H 1 2.14 0.02 . 2 . . . . . . . . . 4751 1 537 . 1 1 86 86 GLN HB3 H 1 2.53 0.02 . 2 . . . . . . . . . 4751 1 538 . 1 1 86 86 GLN HG2 H 1 2.72 0.02 . 1 . . . . . . . . . 4751 1 539 . 1 1 86 86 GLN HG3 H 1 2.72 0.02 . 1 . . . . . . . . . 4751 1 540 . 1 1 86 86 GLN N N 15 117.0 0.1 . 1 . . . . . . . . . 4751 1 541 . 1 1 87 87 ASP H H 1 8.76 0.02 . 1 . . . . . . . . . 4751 1 542 . 1 1 87 87 ASP HA H 1 4.22 0.02 . 1 . . . . . . . . . 4751 1 543 . 1 1 87 87 ASP HB2 H 1 2.75 0.02 . 2 . . . . . . . . . 4751 1 544 . 1 1 87 87 ASP HB3 H 1 2.55 0.02 . 2 . . . . . . . . . 4751 1 545 . 1 1 87 87 ASP N N 15 120.6 0.1 . 1 . . . . . . . . . 4751 1 546 . 1 1 88 88 ASP H H 1 7.82 0.02 . 1 . . . . . . . . . 4751 1 547 . 1 1 88 88 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . . 4751 1 548 . 1 1 88 88 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . . 4751 1 549 . 1 1 88 88 ASP HB3 H 1 2.72 0.02 . 2 . . . . . . . . . 4751 1 550 . 1 1 88 88 ASP N N 15 118.7 0.1 . 1 . . . . . . . . . 4751 1 551 . 1 1 89 89 ILE H H 1 8.02 0.02 . 1 . . . . . . . . . 4751 1 552 . 1 1 89 89 ILE HA H 1 4.72 0.02 . 1 . . . . . . . . . 4751 1 553 . 1 1 89 89 ILE HB H 1 2.26 0.02 . 1 . . . . . . . . . 4751 1 554 . 1 1 89 89 ILE HG12 H 1 1.34 0.02 . 1 . . . . . . . . . 4751 1 555 . 1 1 89 89 ILE HG13 H 1 1.34 0.02 . 1 . . . . . . . . . 4751 1 556 . 1 1 89 89 ILE HG21 H 1 1.08 0.02 . 1 . . . . . . . . . 4751 1 557 . 1 1 89 89 ILE HG22 H 1 1.08 0.02 . 1 . . . . . . . . . 4751 1 558 . 1 1 89 89 ILE HG23 H 1 1.08 0.02 . 1 . . . . . . . . . 4751 1 559 . 1 1 89 89 ILE HD11 H 1 0.50 0.02 . 1 . . . . . . . . . 4751 1 560 . 1 1 89 89 ILE HD12 H 1 0.50 0.02 . 1 . . . . . . . . . 4751 1 561 . 1 1 89 89 ILE HD13 H 1 0.50 0.02 . 1 . . . . . . . . . 4751 1 562 . 1 1 89 89 ILE N N 15 117.3 0.1 . 1 . . . . . . . . . 4751 1 563 . 1 1 90 90 THR H H 1 8.62 0.02 . 1 . . . . . . . . . 4751 1 564 . 1 1 90 90 THR HA H 1 3.56 0.02 . 1 . . . . . . . . . 4751 1 565 . 1 1 90 90 THR HB H 1 4.12 0.02 . 1 . . . . . . . . . 4751 1 566 . 1 1 90 90 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . . 4751 1 567 . 1 1 90 90 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . . 4751 1 568 . 1 1 90 90 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . . 4751 1 569 . 1 1 90 90 THR N N 15 121.0 0.1 . 1 . . . . . . . . . 4751 1 570 . 1 1 91 91 ALA H H 1 8.93 0.02 . 1 . . . . . . . . . 4751 1 571 . 1 1 91 91 ALA HA H 1 4.16 0.02 . 1 . . . . . . . . . 4751 1 572 . 1 1 91 91 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . . 4751 1 573 . 1 1 91 91 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . . 4751 1 574 . 1 1 91 91 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . . 4751 1 575 . 1 1 91 91 ALA N N 15 123.1 0.1 . 1 . . . . . . . . . 4751 1 576 . 1 1 92 92 ALA H H 1 7.75 0.02 . 1 . . . . . . . . . 4751 1 577 . 1 1 92 92 ALA HA H 1 3.98 0.02 . 1 . . . . . . . . . 4751 1 578 . 1 1 92 92 ALA HB1 H 1 1.69 0.02 . 1 . . . . . . . . . 4751 1 579 . 1 1 92 92 ALA HB2 H 1 1.69 0.02 . 1 . . . . . . . . . 4751 1 580 . 1 1 92 92 ALA HB3 H 1 1.69 0.02 . 1 . . . . . . . . . 4751 1 581 . 1 1 92 92 ALA N N 15 121.4 0.1 . 1 . . . . . . . . . 4751 1 582 . 1 1 93 93 ILE H H 1 8.66 0.02 . 1 . . . . . . . . . 4751 1 583 . 1 1 93 93 ILE HA H 1 3.20 0.02 . 1 . . . . . . . . . 4751 1 584 . 1 1 93 93 ILE HB H 1 2.05 0.02 . 1 . . . . . . . . . 4751 1 585 . 1 1 93 93 ILE HG12 H 1 1.84 0.02 . 1 . . . . . . . . . 4751 1 586 . 1 1 93 93 ILE HG13 H 1 1.70 0.02 . 1 . . . . . . . . . 4751 1 587 . 1 1 93 93 ILE HG21 H 1 0.72 0.02 . 1 . . . . . . . . . 4751 1 588 . 1 1 93 93 ILE HG22 H 1 0.72 0.02 . 1 . . . . . . . . . 4751 1 589 . 1 1 93 93 ILE HG23 H 1 0.72 0.02 . 1 . . . . . . . . . 4751 1 590 . 1 1 93 93 ILE HD11 H 1 0.59 0.02 . 1 . . . . . . . . . 4751 1 591 . 1 1 93 93 ILE HD12 H 1 0.59 0.02 . 1 . . . . . . . . . 4751 1 592 . 1 1 93 93 ILE HD13 H 1 0.59 0.02 . 1 . . . . . . . . . 4751 1 593 . 1 1 93 93 ILE N N 15 118.6 0.1 . 1 . . . . . . . . . 4751 1 594 . 1 1 94 94 GLN H H 1 7.98 0.02 . 1 . . . . . . . . . 4751 1 595 . 1 1 94 94 GLN HA H 1 3.83 0.02 . 1 . . . . . . . . . 4751 1 596 . 1 1 94 94 GLN HB2 H 1 2.49 0.02 . 2 . . . . . . . . . 4751 1 597 . 1 1 94 94 GLN HB3 H 1 2.24 0.02 . 2 . . . . . . . . . 4751 1 598 . 1 1 94 94 GLN N N 15 116.9 0.1 . 1 . . . . . . . . . 4751 1 599 . 1 1 95 95 CYS H H 1 8.13 0.02 . 1 . . . . . . . . . 4751 1 600 . 1 1 95 95 CYS HA H 1 5.00 0.02 . 1 . . . . . . . . . 4751 1 601 . 1 1 95 95 CYS HB2 H 1 2.60 0.02 . 2 . . . . . . . . . 4751 1 602 . 1 1 95 95 CYS HB3 H 1 3.34 0.02 . 2 . . . . . . . . . 4751 1 603 . 1 1 95 95 CYS N N 15 116.5 0.1 . 1 . . . . . . . . . 4751 1 604 . 1 1 96 96 ALA H H 1 8.74 0.02 . 1 . . . . . . . . . 4751 1 605 . 1 1 96 96 ALA HA H 1 3.69 0.02 . 1 . . . . . . . . . 4751 1 606 . 1 1 96 96 ALA HB1 H 1 0.63 0.02 . 1 . . . . . . . . . 4751 1 607 . 1 1 96 96 ALA HB2 H 1 0.63 0.02 . 1 . . . . . . . . . 4751 1 608 . 1 1 96 96 ALA HB3 H 1 0.63 0.02 . 1 . . . . . . . . . 4751 1 609 . 1 1 96 96 ALA N N 15 124.1 0.1 . 1 . . . . . . . . . 4751 1 610 . 1 1 97 97 LYS H H 1 7.75 0.02 . 1 . . . . . . . . . 4751 1 611 . 1 1 97 97 LYS HA H 1 3.62 0.02 . 1 . . . . . . . . . 4751 1 612 . 1 1 97 97 LYS HB2 H 1 1.69 0.02 . 2 . . . . . . . . . 4751 1 613 . 1 1 97 97 LYS HB3 H 1 1.42 0.02 . 2 . . . . . . . . . 4751 1 614 . 1 1 97 97 LYS HG2 H 1 1.25 0.02 . 1 . . . . . . . . . 4751 1 615 . 1 1 97 97 LYS HG3 H 1 1.25 0.02 . 1 . . . . . . . . . 4751 1 616 . 1 1 97 97 LYS N N 15 113.8 0.1 . 1 . . . . . . . . . 4751 1 617 . 1 1 98 98 ARG H H 1 6.93 0.02 . 1 . . . . . . . . . 4751 1 618 . 1 1 98 98 ARG HA H 1 3.89 0.02 . 1 . . . . . . . . . 4751 1 619 . 1 1 98 98 ARG HB2 H 1 2.58 0.02 . 2 . . . . . . . . . 4751 1 620 . 1 1 98 98 ARG HB3 H 1 1.98 0.02 . 2 . . . . . . . . . 4751 1 621 . 1 1 98 98 ARG N N 15 117.3 0.1 . 1 . . . . . . . . . 4751 1 622 . 1 1 99 99 VAL H H 1 8.05 0.02 . 1 . . . . . . . . . 4751 1 623 . 1 1 99 99 VAL HA H 1 2.52 0.02 . 1 . . . . . . . . . 4751 1 624 . 1 1 99 99 VAL HB H 1 1.83 0.02 . 1 . . . . . . . . . 4751 1 625 . 1 1 99 99 VAL HG11 H 1 -0.40 0.02 . 2 . . . . . . . . . 4751 1 626 . 1 1 99 99 VAL HG12 H 1 -0.40 0.02 . 2 . . . . . . . . . 4751 1 627 . 1 1 99 99 VAL HG13 H 1 -0.40 0.02 . 2 . . . . . . . . . 4751 1 628 . 1 1 99 99 VAL HG21 H 1 -0.63 0.02 . 2 . . . . . . . . . 4751 1 629 . 1 1 99 99 VAL HG22 H 1 -0.63 0.02 . 2 . . . . . . . . . 4751 1 630 . 1 1 99 99 VAL HG23 H 1 -0.63 0.02 . 2 . . . . . . . . . 4751 1 631 . 1 1 99 99 VAL N N 15 121.8 0.1 . 1 . . . . . . . . . 4751 1 632 . 1 1 100 100 VAL H H 1 7.47 0.02 . 1 . . . . . . . . . 4751 1 633 . 1 1 100 100 VAL HA H 1 3.80 0.02 . 1 . . . . . . . . . 4751 1 634 . 1 1 100 100 VAL HB H 1 2.48 0.02 . 1 . . . . . . . . . 4751 1 635 . 1 1 100 100 VAL HG11 H 1 1.33 0.02 . 2 . . . . . . . . . 4751 1 636 . 1 1 100 100 VAL HG12 H 1 1.33 0.02 . 2 . . . . . . . . . 4751 1 637 . 1 1 100 100 VAL HG13 H 1 1.33 0.02 . 2 . . . . . . . . . 4751 1 638 . 1 1 100 100 VAL HG21 H 1 1.14 0.02 . 2 . . . . . . . . . 4751 1 639 . 1 1 100 100 VAL HG22 H 1 1.14 0.02 . 2 . . . . . . . . . 4751 1 640 . 1 1 100 100 VAL HG23 H 1 1.14 0.02 . 2 . . . . . . . . . 4751 1 641 . 1 1 100 100 VAL N N 15 110.5 0.1 . 1 . . . . . . . . . 4751 1 642 . 1 1 101 101 ARG H H 1 7.06 0.02 . 1 . . . . . . . . . 4751 1 643 . 1 1 101 101 ARG HA H 1 3.94 0.02 . 1 . . . . . . . . . 4751 1 644 . 1 1 101 101 ARG HB2 H 1 1.79 0.02 . 2 . . . . . . . . . 4751 1 645 . 1 1 101 101 ARG HB3 H 1 2.05 0.02 . 2 . . . . . . . . . 4751 1 646 . 1 1 101 101 ARG HG2 H 1 1.61 0.02 . 1 . . . . . . . . . 4751 1 647 . 1 1 101 101 ARG HG3 H 1 1.61 0.02 . 1 . . . . . . . . . 4751 1 648 . 1 1 101 101 ARG N N 15 117.1 0.1 . 1 . . . . . . . . . 4751 1 649 . 1 1 102 102 ASP H H 1 7.39 0.02 . 1 . . . . . . . . . 4751 1 650 . 1 1 102 102 ASP HA H 1 4.97 0.02 . 1 . . . . . . . . . 4751 1 651 . 1 1 102 102 ASP HB2 H 1 2.99 0.02 . 2 . . . . . . . . . 4751 1 652 . 1 1 102 102 ASP HB3 H 1 3.10 0.02 . 2 . . . . . . . . . 4751 1 653 . 1 1 102 102 ASP N N 15 122.1 0.1 . 1 . . . . . . . . . 4751 1 654 . 1 1 103 103 PRO HA H 1 4.24 0.02 . 1 . . . . . . . . . 4751 1 655 . 1 1 104 104 GLN H H 1 8.50 0.02 . 1 . . . . . . . . . 4751 1 656 . 1 1 104 104 GLN HA H 1 4.16 0.02 . 1 . . . . . . . . . 4751 1 657 . 1 1 104 104 GLN HB2 H 1 1.89 0.02 . 2 . . . . . . . . . 4751 1 658 . 1 1 104 104 GLN HB3 H 1 2.01 0.02 . 2 . . . . . . . . . 4751 1 659 . 1 1 104 104 GLN HG2 H 1 2.40 0.02 . 1 . . . . . . . . . 4751 1 660 . 1 1 104 104 GLN HG3 H 1 2.40 0.02 . 1 . . . . . . . . . 4751 1 661 . 1 1 104 104 GLN N N 15 113.6 0.1 . 1 . . . . . . . . . 4751 1 662 . 1 1 105 105 GLY H H 1 8.08 0.02 . 1 . . . . . . . . . 4751 1 663 . 1 1 105 105 GLY HA2 H 1 4.05 0.02 . 2 . . . . . . . . . 4751 1 664 . 1 1 105 105 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . . 4751 1 665 . 1 1 105 105 GLY N N 15 108.3 0.1 . 1 . . . . . . . . . 4751 1 666 . 1 1 106 106 ILE H H 1 8.69 0.02 . 1 . . . . . . . . . 4751 1 667 . 1 1 106 106 ILE HA H 1 3.97 0.02 . 1 . . . . . . . . . 4751 1 668 . 1 1 106 106 ILE HB H 1 1.00 0.02 . 1 . . . . . . . . . 4751 1 669 . 1 1 106 106 ILE HG12 H 1 0.83 0.02 . 1 . . . . . . . . . 4751 1 670 . 1 1 106 106 ILE HG13 H 1 0.20 0.02 . 1 . . . . . . . . . 4751 1 671 . 1 1 106 106 ILE HG21 H 1 -0.51 0.02 . 1 . . . . . . . . . 4751 1 672 . 1 1 106 106 ILE HG22 H 1 -0.51 0.02 . 1 . . . . . . . . . 4751 1 673 . 1 1 106 106 ILE HG23 H 1 -0.51 0.02 . 1 . . . . . . . . . 4751 1 674 . 1 1 106 106 ILE HD11 H 1 -0.24 0.02 . 1 . . . . . . . . . 4751 1 675 . 1 1 106 106 ILE HD12 H 1 -0.24 0.02 . 1 . . . . . . . . . 4751 1 676 . 1 1 106 106 ILE HD13 H 1 -0.24 0.02 . 1 . . . . . . . . . 4751 1 677 . 1 1 106 106 ILE N N 15 126.2 0.1 . 1 . . . . . . . . . 4751 1 678 . 1 1 107 107 ARG H H 1 7.29 0.02 . 1 . . . . . . . . . 4751 1 679 . 1 1 107 107 ARG HA H 1 4.15 0.02 . 1 . . . . . . . . . 4751 1 680 . 1 1 107 107 ARG HB2 H 1 2.10 0.02 . 2 . . . . . . . . . 4751 1 681 . 1 1 107 107 ARG HB3 H 1 1.83 0.02 . 2 . . . . . . . . . 4751 1 682 . 1 1 107 107 ARG N N 15 116.5 0.1 . 1 . . . . . . . . . 4751 1 683 . 1 1 108 108 ALA H H 1 7.30 0.02 . 1 . . . . . . . . . 4751 1 684 . 1 1 108 108 ALA HA H 1 3.90 0.02 . 1 . . . . . . . . . 4751 1 685 . 1 1 108 108 ALA HB1 H 1 0.98 0.02 . 1 . . . . . . . . . 4751 1 686 . 1 1 108 108 ALA HB2 H 1 0.98 0.02 . 1 . . . . . . . . . 4751 1 687 . 1 1 108 108 ALA HB3 H 1 0.98 0.02 . 1 . . . . . . . . . 4751 1 688 . 1 1 108 108 ALA N N 15 120.0 0.1 . 1 . . . . . . . . . 4751 1 689 . 1 1 109 109 TRP H H 1 7.63 0.02 . 1 . . . . . . . . . 4751 1 690 . 1 1 109 109 TRP HA H 1 4.88 0.02 . 1 . . . . . . . . . 4751 1 691 . 1 1 109 109 TRP HB2 H 1 3.27 0.02 . 2 . . . . . . . . . 4751 1 692 . 1 1 109 109 TRP HB3 H 1 3.35 0.02 . 2 . . . . . . . . . 4751 1 693 . 1 1 109 109 TRP HD1 H 1 7.34 0.02 . 1 . . . . . . . . . 4751 1 694 . 1 1 109 109 TRP HE1 H 1 9.88 0.02 . 1 . . . . . . . . . 4751 1 695 . 1 1 109 109 TRP HE3 H 1 7.89 0.02 . 1 . . . . . . . . . 4751 1 696 . 1 1 109 109 TRP HZ2 H 1 6.63 0.02 . 1 . . . . . . . . . 4751 1 697 . 1 1 109 109 TRP HZ3 H 1 6.89 0.02 . 1 . . . . . . . . . 4751 1 698 . 1 1 109 109 TRP HH2 H 1 6.96 0.02 . 1 . . . . . . . . . 4751 1 699 . 1 1 109 109 TRP N N 15 116.1 0.1 . 1 . . . . . . . . . 4751 1 700 . 1 1 110 110 VAL H H 1 8.92 0.02 . 1 . . . . . . . . . 4751 1 701 . 1 1 110 110 VAL HA H 1 3.76 0.02 . 1 . . . . . . . . . 4751 1 702 . 1 1 110 110 VAL HB H 1 2.26 0.02 . 1 . . . . . . . . . 4751 1 703 . 1 1 110 110 VAL HG11 H 1 1.07 0.02 . 2 . . . . . . . . . 4751 1 704 . 1 1 110 110 VAL HG12 H 1 1.07 0.02 . 2 . . . . . . . . . 4751 1 705 . 1 1 110 110 VAL HG13 H 1 1.07 0.02 . 2 . . . . . . . . . 4751 1 706 . 1 1 110 110 VAL HG21 H 1 1.17 0.02 . 2 . . . . . . . . . 4751 1 707 . 1 1 110 110 VAL HG22 H 1 1.17 0.02 . 2 . . . . . . . . . 4751 1 708 . 1 1 110 110 VAL HG23 H 1 1.17 0.02 . 2 . . . . . . . . . 4751 1 709 . 1 1 110 110 VAL N N 15 127.8 0.1 . 1 . . . . . . . . . 4751 1 710 . 1 1 111 111 ALA H H 1 8.62 0.02 . 1 . . . . . . . . . 4751 1 711 . 1 1 111 111 ALA HA H 1 4.40 0.02 . 1 . . . . . . . . . 4751 1 712 . 1 1 111 111 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . . 4751 1 713 . 1 1 111 111 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . . 4751 1 714 . 1 1 111 111 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . . 4751 1 715 . 1 1 111 111 ALA N N 15 118.9 0.1 . 1 . . . . . . . . . 4751 1 716 . 1 1 112 112 TRP H H 1 7.62 0.02 . 1 . . . . . . . . . 4751 1 717 . 1 1 112 112 TRP HA H 1 3.82 0.02 . 1 . . . . . . . . . 4751 1 718 . 1 1 112 112 TRP HB2 H 1 3.13 0.02 . 2 . . . . . . . . . 4751 1 719 . 1 1 112 112 TRP HB3 H 1 3.32 0.02 . 2 . . . . . . . . . 4751 1 720 . 1 1 112 112 TRP HD1 H 1 6.84 0.02 . 1 . . . . . . . . . 4751 1 721 . 1 1 112 112 TRP HE1 H 1 10.73 0.02 . 1 . . . . . . . . . 4751 1 722 . 1 1 112 112 TRP N N 15 115.7 0.1 . 1 . . . . . . . . . 4751 1 723 . 1 1 113 113 ARG H H 1 7.78 0.02 . 1 . . . . . . . . . 4751 1 724 . 1 1 113 113 ARG HA H 1 3.79 0.02 . 1 . . . . . . . . . 4751 1 725 . 1 1 113 113 ARG HB2 H 1 2.20 0.02 . 1 . . . . . . . . . 4751 1 726 . 1 1 113 113 ARG HB3 H 1 1.97 0.02 . 1 . . . . . . . . . 4751 1 727 . 1 1 113 113 ARG HG2 H 1 1.81 0.02 . 1 . . . . . . . . . 4751 1 728 . 1 1 113 113 ARG HG3 H 1 1.81 0.02 . 1 . . . . . . . . . 4751 1 729 . 1 1 113 113 ARG N N 15 119.9 0.1 . 1 . . . . . . . . . 4751 1 730 . 1 1 114 114 ALA H H 1 7.95 0.02 . 1 . . . . . . . . . 4751 1 731 . 1 1 114 114 ALA HA H 1 4.00 0.02 . 1 . . . . . . . . . 4751 1 732 . 1 1 114 114 ALA HB1 H 1 1.03 0.02 . 1 . . . . . . . . . 4751 1 733 . 1 1 114 114 ALA HB2 H 1 1.03 0.02 . 1 . . . . . . . . . 4751 1 734 . 1 1 114 114 ALA HB3 H 1 1.03 0.02 . 1 . . . . . . . . . 4751 1 735 . 1 1 114 114 ALA N N 15 116.3 0.1 . 1 . . . . . . . . . 4751 1 736 . 1 1 115 115 HIS H H 1 7.35 0.02 . 1 . . . . . . . . . 4751 1 737 . 1 1 115 115 HIS HA H 1 4.67 0.02 . 1 . . . . . . . . . 4751 1 738 . 1 1 115 115 HIS HB2 H 1 2.35 0.02 . 2 . . . . . . . . . 4751 1 739 . 1 1 115 115 HIS HB3 H 1 2.10 0.02 . 2 . . . . . . . . . 4751 1 740 . 1 1 115 115 HIS N N 15 108.6 0.1 . 1 . . . . . . . . . 4751 1 741 . 1 1 116 116 CYS H H 1 7.63 0.02 . 1 . . . . . . . . . 4751 1 742 . 1 1 116 116 CYS HA H 1 4.63 0.02 . 1 . . . . . . . . . 4751 1 743 . 1 1 116 116 CYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . . 4751 1 744 . 1 1 116 116 CYS HB3 H 1 2.67 0.02 . 2 . . . . . . . . . 4751 1 745 . 1 1 116 116 CYS N N 15 114.9 0.1 . 1 . . . . . . . . . 4751 1 746 . 1 1 117 117 GLN H H 1 6.65 0.02 . 1 . . . . . . . . . 4751 1 747 . 1 1 117 117 GLN HA H 1 3.32 0.02 . 1 . . . . . . . . . 4751 1 748 . 1 1 117 117 GLN HB2 H 1 1.53 0.02 . 2 . . . . . . . . . 4751 1 749 . 1 1 117 117 GLN HB3 H 1 0.72 0.02 . 2 . . . . . . . . . 4751 1 750 . 1 1 117 117 GLN HG2 H 1 2.13 0.02 . 1 . . . . . . . . . 4751 1 751 . 1 1 117 117 GLN HG3 H 1 2.13 0.02 . 1 . . . . . . . . . 4751 1 752 . 1 1 117 117 GLN N N 15 119.7 0.1 . 1 . . . . . . . . . 4751 1 753 . 1 1 118 118 ASN H H 1 9.09 0.02 . 1 . . . . . . . . . 4751 1 754 . 1 1 118 118 ASN HA H 1 4.43 0.02 . 1 . . . . . . . . . 4751 1 755 . 1 1 118 118 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . . 4751 1 756 . 1 1 118 118 ASN HB3 H 1 3.07 0.02 . 2 . . . . . . . . . 4751 1 757 . 1 1 118 118 ASN N N 15 120.5 0.1 . 1 . . . . . . . . . 4751 1 758 . 1 1 119 119 ARG H H 1 7.36 0.02 . 1 . . . . . . . . . 4751 1 759 . 1 1 119 119 ARG HA H 1 4.56 0.02 . 1 . . . . . . . . . 4751 1 760 . 1 1 119 119 ARG HB2 H 1 1.80 0.02 . 2 . . . . . . . . . 4751 1 761 . 1 1 119 119 ARG HB3 H 1 1.57 0.02 . 2 . . . . . . . . . 4751 1 762 . 1 1 119 119 ARG HG2 H 1 1.39 0.02 . 1 . . . . . . . . . 4751 1 763 . 1 1 119 119 ARG HG3 H 1 1.39 0.02 . 1 . . . . . . . . . 4751 1 764 . 1 1 119 119 ARG N N 15 115.1 0.1 . 1 . . . . . . . . . 4751 1 765 . 1 1 120 120 ASP H H 1 8.47 0.02 . 1 . . . . . . . . . 4751 1 766 . 1 1 120 120 ASP HA H 1 4.61 0.02 . 1 . . . . . . . . . 4751 1 767 . 1 1 120 120 ASP HB2 H 1 2.93 0.02 . 2 . . . . . . . . . 4751 1 768 . 1 1 120 120 ASP HB3 H 1 2.78 0.02 . 2 . . . . . . . . . 4751 1 769 . 1 1 120 120 ASP N N 15 118.8 0.1 . 1 . . . . . . . . . 4751 1 770 . 1 1 121 121 LEU H H 1 9.01 0.02 . 1 . . . . . . . . . 4751 1 771 . 1 1 121 121 LEU HA H 1 4.89 0.02 . 1 . . . . . . . . . 4751 1 772 . 1 1 121 121 LEU HB2 H 1 1.93 0.02 . 2 . . . . . . . . . 4751 1 773 . 1 1 121 121 LEU HB3 H 1 1.86 0.02 . 2 . . . . . . . . . 4751 1 774 . 1 1 121 121 LEU N N 15 128.3 0.1 . 1 . . . . . . . . . 4751 1 775 . 1 1 122 122 SER H H 1 8.66 0.02 . 1 . . . . . . . . . 4751 1 776 . 1 1 122 122 SER HA H 1 4.08 0.02 . 1 . . . . . . . . . 4751 1 777 . 1 1 122 122 SER HB2 H 1 1.59 0.02 . 1 . . . . . . . . . 4751 1 778 . 1 1 122 122 SER HB3 H 1 1.59 0.02 . 1 . . . . . . . . . 4751 1 779 . 1 1 122 122 SER N N 15 117.9 0.1 . 1 . . . . . . . . . 4751 1 780 . 1 1 123 123 GLN H H 1 9.00 0.02 . 1 . . . . . . . . . 4751 1 781 . 1 1 123 123 GLN HA H 1 4.01 0.02 . 1 . . . . . . . . . 4751 1 782 . 1 1 123 123 GLN HB2 H 1 1.98 0.02 . 2 . . . . . . . . . 4751 1 783 . 1 1 123 123 GLN HB3 H 1 1.89 0.02 . 2 . . . . . . . . . 4751 1 784 . 1 1 123 123 GLN HG2 H 1 1.59 0.02 . 1 . . . . . . . . . 4751 1 785 . 1 1 123 123 GLN HG3 H 1 1.59 0.02 . 1 . . . . . . . . . 4751 1 786 . 1 1 123 123 GLN N N 15 119.1 0.1 . 1 . . . . . . . . . 4751 1 787 . 1 1 124 124 TYR H H 1 8.16 0.02 . 1 . . . . . . . . . 4751 1 788 . 1 1 124 124 TYR HA H 1 4.15 0.02 . 1 . . . . . . . . . 4751 1 789 . 1 1 124 124 TYR HB2 H 1 3.21 0.02 . 2 . . . . . . . . . 4751 1 790 . 1 1 124 124 TYR HB3 H 1 3.14 0.02 . 2 . . . . . . . . . 4751 1 791 . 1 1 124 124 TYR HD1 H 1 7.32 0.02 . 1 . . . . . . . . . 4751 1 792 . 1 1 124 124 TYR HD2 H 1 7.32 0.02 . 1 . . . . . . . . . 4751 1 793 . 1 1 124 124 TYR HE1 H 1 6.88 0.02 . 1 . . . . . . . . . 4751 1 794 . 1 1 124 124 TYR HE2 H 1 6.88 0.02 . 1 . . . . . . . . . 4751 1 795 . 1 1 124 124 TYR N N 15 116.3 0.1 . 1 . . . . . . . . . 4751 1 796 . 1 1 125 125 ILE H H 1 7.06 0.02 . 1 . . . . . . . . . 4751 1 797 . 1 1 125 125 ILE HA H 1 4.77 0.02 . 1 . . . . . . . . . 4751 1 798 . 1 1 125 125 ILE HB H 1 2.18 0.02 . 1 . . . . . . . . . 4751 1 799 . 1 1 125 125 ILE HG12 H 1 1.47 0.02 . 1 . . . . . . . . . 4751 1 800 . 1 1 125 125 ILE HG13 H 1 1.12 0.02 . 1 . . . . . . . . . 4751 1 801 . 1 1 125 125 ILE HG21 H 1 1.00 0.02 . 1 . . . . . . . . . 4751 1 802 . 1 1 125 125 ILE HG22 H 1 1.00 0.02 . 1 . . . . . . . . . 4751 1 803 . 1 1 125 125 ILE HG23 H 1 1.00 0.02 . 1 . . . . . . . . . 4751 1 804 . 1 1 125 125 ILE HD11 H 1 0.83 0.02 . 1 . . . . . . . . . 4751 1 805 . 1 1 125 125 ILE HD12 H 1 0.83 0.02 . 1 . . . . . . . . . 4751 1 806 . 1 1 125 125 ILE HD13 H 1 0.83 0.02 . 1 . . . . . . . . . 4751 1 807 . 1 1 125 125 ILE N N 15 105.2 0.1 . 1 . . . . . . . . . 4751 1 808 . 1 1 126 126 ARG H H 1 7.23 0.02 . 1 . . . . . . . . . 4751 1 809 . 1 1 126 126 ARG HA H 1 4.16 0.02 . 1 . . . . . . . . . 4751 1 810 . 1 1 126 126 ARG HB2 H 1 1.70 0.02 . 2 . . . . . . . . . 4751 1 811 . 1 1 126 126 ARG HB3 H 1 1.87 0.02 . 2 . . . . . . . . . 4751 1 812 . 1 1 126 126 ARG N N 15 124.9 0.1 . 1 . . . . . . . . . 4751 1 813 . 1 1 127 127 ASN H H 1 9.36 0.02 . 1 . . . . . . . . . 4751 1 814 . 1 1 127 127 ASN HA H 1 4.59 0.02 . 1 . . . . . . . . . 4751 1 815 . 1 1 127 127 ASN HB2 H 1 3.05 0.02 . 2 . . . . . . . . . 4751 1 816 . 1 1 127 127 ASN HB3 H 1 3.19 0.02 . 2 . . . . . . . . . 4751 1 817 . 1 1 127 127 ASN N N 15 117.9 0.1 . 1 . . . . . . . . . 4751 1 818 . 1 1 128 128 CYS H H 1 7.75 0.02 . 1 . . . . . . . . . 4751 1 819 . 1 1 128 128 CYS HA H 1 4.98 0.02 . 1 . . . . . . . . . 4751 1 820 . 1 1 128 128 CYS HB2 H 1 2.72 0.02 . 2 . . . . . . . . . 4751 1 821 . 1 1 128 128 CYS HB3 H 1 3.25 0.02 . 2 . . . . . . . . . 4751 1 822 . 1 1 128 128 CYS N N 15 112.7 0.1 . 1 . . . . . . . . . 4751 1 823 . 1 1 129 129 GLY H H 1 8.89 0.02 . 1 . . . . . . . . . 4751 1 824 . 1 1 129 129 GLY HA2 H 1 3.90 0.02 . 1 . . . . . . . . . 4751 1 825 . 1 1 129 129 GLY HA3 H 1 3.98 0.02 . 1 . . . . . . . . . 4751 1 826 . 1 1 129 129 GLY N N 15 111.5 0.1 . 1 . . . . . . . . . 4751 1 827 . 1 1 130 130 VAL H H 1 7.47 0.02 . 1 . . . . . . . . . 4751 1 828 . 1 1 130 130 VAL HA H 1 4.26 0.02 . 1 . . . . . . . . . 4751 1 829 . 1 1 130 130 VAL HB H 1 2.26 0.02 . 1 . . . . . . . . . 4751 1 830 . 1 1 130 130 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . . 4751 1 831 . 1 1 130 130 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . . 4751 1 832 . 1 1 130 130 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . . 4751 1 833 . 1 1 130 130 VAL HG21 H 1 0.78 0.02 . 2 . . . . . . . . . 4751 1 834 . 1 1 130 130 VAL HG22 H 1 0.78 0.02 . 2 . . . . . . . . . 4751 1 835 . 1 1 130 130 VAL HG23 H 1 0.78 0.02 . 2 . . . . . . . . . 4751 1 836 . 1 1 130 130 VAL N N 15 116.1 0.1 . 1 . . . . . . . . . 4751 1 stop_ save_