data_17042 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17042 _Entry.Title ; Backbone 1H, 15N, and 13C resonance assignment of rat-nNOS fragment (residues 134-298) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-02 _Entry.Accession_date 2010-07-02 _Entry.Last_release_date 2010-07-13 _Entry.Original_release_date 2010-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'rat nNOS' _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 Dinesh Kumar . . Jr. 17042 2 Ramakrishna Hosur . V. Sr. 17042 3 Swapnil Parhad . S. Jr. 17042 4 Krishanu Ray . . Sr. 17042 5 Shyamalava Mazumdar . . Sr. 17042 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Molecular Biophysics Group at TIFR' . 17042 1 . 'Hosur's Group at TIFR' . 17042 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17042 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 315 17042 '15N chemical shifts' 119 17042 '1H chemical shifts' 119 17042 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 . . 2010-07-13 2010-07-02 original author . 17042 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17042 _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 'Backbone 1H, 15N, and 13C resonance assignment of rat nNOS fragment (residues 134-298)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Swapnil Parhad . S. Jr. 17042 1 2 Dinesh Kumar . . Jr. 17042 1 3 Ramakrishna Hosur . V. Sr. 17042 1 4 Krishanu Ray . . Sr. 17042 1 5 Shyamalava Mazumdar . . Sr. 17042 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Backbone Assignment' 17042 1 hncoCANH 17042 1 HNN 17042 1 'rat nNOS' 17042 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17042 _Assembly.ID 1 _Assembly.Name 'nNOS fragment' _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 'nNOS fragment' 1 $nNOS134-298 A . yes native no no . . . 17042 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_nNOS134-298 _Entity.Sf_category entity _Entity.Sf_framecode nNOS134-298 _Entity.Entry_ID 17042 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name nNOS134-298 _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 ; GSPEFDLSHQPSASKDQSLA VDRVTGLGNGPQHAQGHGQG AGSVSQANGVAIDPTMKSTK ANLQDIGEHDELLKEIEPVL SILNSGSKATNRGGPAKAEM KDTGIQVDRDLDGKSHKAPP LGGDNDRVFNDLWGKDNVPV VLNNPYSEKEQSPTSGKQSP TKNGSPSRCP ; _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 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 EMBL CAA42574 . "nitric oxidase synthase [Rattus rattus]" . . . . . 97.06 1429 99.39 100.00 9.86e-105 . . . . 17042 1 2 no GB AAC52782 . "neuronal nitric oxide synthase [Rattus norvegicus]" . . . . . 97.06 1463 100.00 100.00 9.11e-105 . . . . 17042 1 3 no PRF 1712320A . "nitric oxide synthase" . . . . . 97.06 1429 99.39 100.00 9.86e-105 . . . . 17042 1 4 no REF NP_434686 . "nitric oxide synthase, brain [Rattus norvegicus]" . . . . . 97.06 1463 100.00 100.00 9.11e-105 . . . . 17042 1 5 no REF XP_008767432 . "PREDICTED: nitric oxide synthase, brain isoform X1 [Rattus norvegicus]" . . . . . 97.06 1463 100.00 100.00 9.11e-105 . . . . 17042 1 6 no SP P29476 . "RecName: Full=Nitric oxide synthase, brain; AltName: Full=BNOS; AltName: Full=Constitutive NOS; AltName: Full=NC-NOS; AltName: " . . . . . 97.06 1429 99.39 100.00 9.86e-105 . . . . 17042 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Interacts with DLC1' 17042 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 . GLY . 17042 1 2 . SER . 17042 1 3 . PRO . 17042 1 4 . GLU . 17042 1 5 . PHE . 17042 1 6 . ASP . 17042 1 7 . LEU . 17042 1 8 . SER . 17042 1 9 . HIS . 17042 1 10 . GLN . 17042 1 11 . PRO . 17042 1 12 . SER . 17042 1 13 . ALA . 17042 1 14 . SER . 17042 1 15 . LYS . 17042 1 16 . ASP . 17042 1 17 . GLN . 17042 1 18 . SER . 17042 1 19 . LEU . 17042 1 20 . ALA . 17042 1 21 . VAL . 17042 1 22 . ASP . 17042 1 23 . ARG . 17042 1 24 . VAL . 17042 1 25 . THR . 17042 1 26 . GLY . 17042 1 27 . LEU . 17042 1 28 . GLY . 17042 1 29 . ASN . 17042 1 30 . GLY . 17042 1 31 . PRO . 17042 1 32 . GLN . 17042 1 33 . HIS . 17042 1 34 . ALA . 17042 1 35 . GLN . 17042 1 36 . GLY . 17042 1 37 . HIS . 17042 1 38 . GLY . 17042 1 39 . GLN . 17042 1 40 . GLY . 17042 1 41 . ALA . 17042 1 42 . GLY . 17042 1 43 . SER . 17042 1 44 . VAL . 17042 1 45 . SER . 17042 1 46 . GLN . 17042 1 47 . ALA . 17042 1 48 . ASN . 17042 1 49 . GLY . 17042 1 50 . VAL . 17042 1 51 . ALA . 17042 1 52 . ILE . 17042 1 53 . ASP . 17042 1 54 . PRO . 17042 1 55 . THR . 17042 1 56 . MET . 17042 1 57 . LYS . 17042 1 58 . SER . 17042 1 59 . THR . 17042 1 60 . LYS . 17042 1 61 . ALA . 17042 1 62 . ASN . 17042 1 63 . LEU . 17042 1 64 . GLN . 17042 1 65 . ASP . 17042 1 66 . ILE . 17042 1 67 . GLY . 17042 1 68 . GLU . 17042 1 69 . HIS . 17042 1 70 . ASP . 17042 1 71 . GLU . 17042 1 72 . LEU . 17042 1 73 . LEU . 17042 1 74 . LYS . 17042 1 75 . GLU . 17042 1 76 . ILE . 17042 1 77 . GLU . 17042 1 78 . PRO . 17042 1 79 . VAL . 17042 1 80 . LEU . 17042 1 81 . SER . 17042 1 82 . ILE . 17042 1 83 . LEU . 17042 1 84 . ASN . 17042 1 85 . SER . 17042 1 86 . GLY . 17042 1 87 . SER . 17042 1 88 . LYS . 17042 1 89 . ALA . 17042 1 90 . THR . 17042 1 91 . ASN . 17042 1 92 . ARG . 17042 1 93 . GLY . 17042 1 94 . GLY . 17042 1 95 . PRO . 17042 1 96 . ALA . 17042 1 97 . LYS . 17042 1 98 . ALA . 17042 1 99 . GLU . 17042 1 100 . MET . 17042 1 101 . LYS . 17042 1 102 . ASP . 17042 1 103 . THR . 17042 1 104 . GLY . 17042 1 105 . ILE . 17042 1 106 . GLN . 17042 1 107 . VAL . 17042 1 108 . ASP . 17042 1 109 . ARG . 17042 1 110 . ASP . 17042 1 111 . LEU . 17042 1 112 . ASP . 17042 1 113 . GLY . 17042 1 114 . LYS . 17042 1 115 . SER . 17042 1 116 . HIS . 17042 1 117 . LYS . 17042 1 118 . ALA . 17042 1 119 . PRO . 17042 1 120 . PRO . 17042 1 121 . LEU . 17042 1 122 . GLY . 17042 1 123 . GLY . 17042 1 124 . ASP . 17042 1 125 . ASN . 17042 1 126 . ASP . 17042 1 127 . ARG . 17042 1 128 . VAL . 17042 1 129 . PHE . 17042 1 130 . ASN . 17042 1 131 . ASP . 17042 1 132 . LEU . 17042 1 133 . TRP . 17042 1 134 . GLY . 17042 1 135 . LYS . 17042 1 136 . ASP . 17042 1 137 . ASN . 17042 1 138 . VAL . 17042 1 139 . PRO . 17042 1 140 . VAL . 17042 1 141 . VAL . 17042 1 142 . LEU . 17042 1 143 . ASN . 17042 1 144 . ASN . 17042 1 145 . PRO . 17042 1 146 . TYR . 17042 1 147 . SER . 17042 1 148 . GLU . 17042 1 149 . LYS . 17042 1 150 . GLU . 17042 1 151 . GLN . 17042 1 152 . SER . 17042 1 153 . PRO . 17042 1 154 . THR . 17042 1 155 . SER . 17042 1 156 . GLY . 17042 1 157 . LYS . 17042 1 158 . GLN . 17042 1 159 . SER . 17042 1 160 . PRO . 17042 1 161 . THR . 17042 1 162 . LYS . 17042 1 163 . ASN . 17042 1 164 . GLY . 17042 1 165 . SER . 17042 1 166 . PRO . 17042 1 167 . SER . 17042 1 168 . ARG . 17042 1 169 . CYS . 17042 1 170 . PRO . 17042 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 . GLY 1 1 17042 1 . SER 2 2 17042 1 . PRO 3 3 17042 1 . GLU 4 4 17042 1 . PHE 5 5 17042 1 . ASP 6 6 17042 1 . LEU 7 7 17042 1 . SER 8 8 17042 1 . HIS 9 9 17042 1 . GLN 10 10 17042 1 . PRO 11 11 17042 1 . SER 12 12 17042 1 . ALA 13 13 17042 1 . SER 14 14 17042 1 . LYS 15 15 17042 1 . ASP 16 16 17042 1 . GLN 17 17 17042 1 . SER 18 18 17042 1 . LEU 19 19 17042 1 . ALA 20 20 17042 1 . VAL 21 21 17042 1 . ASP 22 22 17042 1 . ARG 23 23 17042 1 . VAL 24 24 17042 1 . THR 25 25 17042 1 . GLY 26 26 17042 1 . LEU 27 27 17042 1 . GLY 28 28 17042 1 . ASN 29 29 17042 1 . GLY 30 30 17042 1 . PRO 31 31 17042 1 . GLN 32 32 17042 1 . HIS 33 33 17042 1 . ALA 34 34 17042 1 . GLN 35 35 17042 1 . GLY 36 36 17042 1 . HIS 37 37 17042 1 . GLY 38 38 17042 1 . GLN 39 39 17042 1 . GLY 40 40 17042 1 . ALA 41 41 17042 1 . GLY 42 42 17042 1 . SER 43 43 17042 1 . VAL 44 44 17042 1 . SER 45 45 17042 1 . GLN 46 46 17042 1 . ALA 47 47 17042 1 . ASN 48 48 17042 1 . GLY 49 49 17042 1 . VAL 50 50 17042 1 . ALA 51 51 17042 1 . ILE 52 52 17042 1 . ASP 53 53 17042 1 . PRO 54 54 17042 1 . THR 55 55 17042 1 . MET 56 56 17042 1 . LYS 57 57 17042 1 . SER 58 58 17042 1 . THR 59 59 17042 1 . LYS 60 60 17042 1 . ALA 61 61 17042 1 . ASN 62 62 17042 1 . LEU 63 63 17042 1 . GLN 64 64 17042 1 . ASP 65 65 17042 1 . ILE 66 66 17042 1 . GLY 67 67 17042 1 . GLU 68 68 17042 1 . HIS 69 69 17042 1 . ASP 70 70 17042 1 . GLU 71 71 17042 1 . LEU 72 72 17042 1 . LEU 73 73 17042 1 . LYS 74 74 17042 1 . GLU 75 75 17042 1 . ILE 76 76 17042 1 . GLU 77 77 17042 1 . PRO 78 78 17042 1 . VAL 79 79 17042 1 . LEU 80 80 17042 1 . SER 81 81 17042 1 . ILE 82 82 17042 1 . LEU 83 83 17042 1 . ASN 84 84 17042 1 . SER 85 85 17042 1 . GLY 86 86 17042 1 . SER 87 87 17042 1 . LYS 88 88 17042 1 . ALA 89 89 17042 1 . THR 90 90 17042 1 . ASN 91 91 17042 1 . ARG 92 92 17042 1 . GLY 93 93 17042 1 . GLY 94 94 17042 1 . PRO 95 95 17042 1 . ALA 96 96 17042 1 . LYS 97 97 17042 1 . ALA 98 98 17042 1 . GLU 99 99 17042 1 . MET 100 100 17042 1 . LYS 101 101 17042 1 . ASP 102 102 17042 1 . THR 103 103 17042 1 . GLY 104 104 17042 1 . ILE 105 105 17042 1 . GLN 106 106 17042 1 . VAL 107 107 17042 1 . ASP 108 108 17042 1 . ARG 109 109 17042 1 . ASP 110 110 17042 1 . LEU 111 111 17042 1 . ASP 112 112 17042 1 . GLY 113 113 17042 1 . LYS 114 114 17042 1 . SER 115 115 17042 1 . HIS 116 116 17042 1 . LYS 117 117 17042 1 . ALA 118 118 17042 1 . PRO 119 119 17042 1 . PRO 120 120 17042 1 . LEU 121 121 17042 1 . GLY 122 122 17042 1 . GLY 123 123 17042 1 . ASP 124 124 17042 1 . ASN 125 125 17042 1 . ASP 126 126 17042 1 . ARG 127 127 17042 1 . VAL 128 128 17042 1 . PHE 129 129 17042 1 . ASN 130 130 17042 1 . ASP 131 131 17042 1 . LEU 132 132 17042 1 . TRP 133 133 17042 1 . GLY 134 134 17042 1 . LYS 135 135 17042 1 . ASP 136 136 17042 1 . ASN 137 137 17042 1 . VAL 138 138 17042 1 . PRO 139 139 17042 1 . VAL 140 140 17042 1 . VAL 141 141 17042 1 . LEU 142 142 17042 1 . ASN 143 143 17042 1 . ASN 144 144 17042 1 . PRO 145 145 17042 1 . TYR 146 146 17042 1 . SER 147 147 17042 1 . GLU 148 148 17042 1 . LYS 149 149 17042 1 . GLU 150 150 17042 1 . GLN 151 151 17042 1 . SER 152 152 17042 1 . PRO 153 153 17042 1 . THR 154 154 17042 1 . SER 155 155 17042 1 . GLY 156 156 17042 1 . LYS 157 157 17042 1 . GLN 158 158 17042 1 . SER 159 159 17042 1 . PRO 160 160 17042 1 . THR 161 161 17042 1 . LYS 162 162 17042 1 . ASN 163 163 17042 1 . GLY 164 164 17042 1 . SER 165 165 17042 1 . PRO 166 166 17042 1 . SER 167 167 17042 1 . ARG 168 168 17042 1 . CYS 169 169 17042 1 . PRO 170 170 17042 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 17042 _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 $nNOS134-298 . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 17042 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 17042 _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 $nNOS134-298 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 D3 . . . . . . . . . . . . . . pGEX-4T1 . . . 'Expressed as Fusion Protein with GST tag' . . 17042 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17042 _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 nNOS134-298 '[U-99% 13C; U-99% 15N]' . . 1 $nNOS134-298 . . 800 . . uM 100 . . . 17042 1 2 D2O 'natural abundance' . . . . . . 90 . . % . . . . 17042 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17042 1 4 H2O 'natural abundance' . . . . . . 10 . . % . . . . 17042 1 5 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 17042 1 6 'potassium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 17042 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 17042 _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' 50 1 mM 17042 1 pH 7.2 0.1 pH 17042 1 pressure 1 0.01 atm 17042 1 temperature 298 1 K 17042 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17042 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17042 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17042 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 17042 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equopped with Cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17042 _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 Avance . 800 'Equipped with Cryoprobe' . . 17042 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 17042 _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 . . . . . . . . . . . . . . . . 17042 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17042 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17042 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17042 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17042 1 6 HNN no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17042 1 7 hncoCANH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17042 1 8 hnCOcaNH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17042 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 17042 _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 na indirect 0.251449530 . . . . . . . . . 17042 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17042 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17042 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 17042 _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' . . . 17042 1 2 '3D CBCA(CO)NH' . . . 17042 1 6 HNN . . . 17042 1 7 hncoCANH . . . 17042 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 4 4 GLU H H 1 8.391 0.020 . 1 . . . . 4 GLU H . 17042 1 2 . 1 1 4 4 GLU C C 13 176.193 0.3 . 1 . . . . 4 GLU C . 17042 1 3 . 1 1 4 4 GLU CA C 13 57.314 0.3 . 1 . . . . 4 GLU CA . 17042 1 4 . 1 1 4 4 GLU CB C 13 30.184 0.3 . 1 . . . . 4 GLU CB . 17042 1 5 . 1 1 4 4 GLU N N 15 120.200 0.3 . 1 . . . . 4 GLU N . 17042 1 6 . 1 1 5 5 PHE H H 1 7.913 0.020 . 1 . . . . 5 PHE H . 17042 1 7 . 1 1 5 5 PHE C C 13 176.053 0.3 . 1 . . . . 5 PHE C . 17042 1 8 . 1 1 5 5 PHE CA C 13 57.736 0.3 . 1 . . . . 5 PHE CA . 17042 1 9 . 1 1 5 5 PHE CB C 13 40.026 0.3 . 1 . . . . 5 PHE CB . 17042 1 10 . 1 1 5 5 PHE N N 15 119.849 0.3 . 1 . . . . 5 PHE N . 17042 1 11 . 1 1 6 6 ASP H H 1 8.182 0.020 . 1 . . . . 6 ASP H . 17042 1 12 . 1 1 6 6 ASP C C 13 176.240 0.3 . 1 . . . . 6 ASP C . 17042 1 13 . 1 1 6 6 ASP CA C 13 54.555 0.3 . 1 . . . . 6 ASP CA . 17042 1 14 . 1 1 6 6 ASP CB C 13 41.477 0.3 . 1 . . . . 6 ASP CB . 17042 1 15 . 1 1 6 6 ASP N N 15 121.847 0.3 . 1 . . . . 6 ASP N . 17042 1 16 . 1 1 7 7 LEU H H 1 8.165 0.020 . 1 . . . . 7 LEU H . 17042 1 17 . 1 1 7 7 LEU C C 13 177.761 0.3 . 1 . . . . 7 LEU C . 17042 1 18 . 1 1 7 7 LEU CA C 13 55.918 0.3 . 1 . . . . 7 LEU CA . 17042 1 19 . 1 1 7 7 LEU CB C 13 42.252 0.3 . 1 . . . . 7 LEU CB . 17042 1 20 . 1 1 7 7 LEU N N 15 123.240 0.3 . 1 . . . . 7 LEU N . 17042 1 21 . 1 1 8 8 SER H H 1 8.228 0.020 . 1 . . . . 8 SER H . 17042 1 22 . 1 1 8 8 SER C C 13 174.186 0.3 . 1 . . . . 8 SER C . 17042 1 23 . 1 1 8 8 SER CA C 13 59.489 0.3 . 1 . . . . 8 SER CA . 17042 1 24 . 1 1 8 8 SER CB C 13 63.871 0.3 . 1 . . . . 8 SER CB . 17042 1 25 . 1 1 8 8 SER N N 15 115.428 0.3 . 1 . . . . 8 SER N . 17042 1 26 . 1 1 9 9 HIS H H 1 7.972 0.020 . 1 . . . . 9 HIS H . 17042 1 27 . 1 1 9 9 HIS C C 13 174.613 0.3 . 1 . . . . 9 HIS C . 17042 1 28 . 1 1 9 9 HIS CA C 13 56.506 0.3 . 1 . . . . 9 HIS CA . 17042 1 29 . 1 1 9 9 HIS CB C 13 30.811 0.3 . 1 . . . . 9 HIS CB . 17042 1 30 . 1 1 9 9 HIS N N 15 120.746 0.3 . 1 . . . . 9 HIS N . 17042 1 31 . 1 1 10 10 GLN H H 1 8.037 0.020 . 1 . . . . 10 GLN H . 17042 1 32 . 1 1 10 10 GLN CA C 13 53.788 0.3 . 1 . . . . 10 GLN CA . 17042 1 33 . 1 1 10 10 GLN CB C 13 29.125 0.3 . 1 . . . . 10 GLN CB . 17042 1 34 . 1 1 10 10 GLN N N 15 122.512 0.3 . 1 . . . . 10 GLN N . 17042 1 35 . 1 1 13 13 ALA H H 1 8.279 0.020 . 1 . . . . 13 ALA H . 17042 1 36 . 1 1 13 13 ALA C C 13 177.653 0.3 . 1 . . . . 13 ALA C . 17042 1 37 . 1 1 13 13 ALA CA C 13 52.805 0.3 . 1 . . . . 13 ALA CA . 17042 1 38 . 1 1 13 13 ALA CB C 13 19.587 0.3 . 1 . . . . 13 ALA CB . 17042 1 39 . 1 1 13 13 ALA N N 15 126.118 0.3 . 1 . . . . 13 ALA N . 17042 1 40 . 1 1 14 14 SER H H 1 8.162 0.020 . 1 . . . . 14 SER H . 17042 1 41 . 1 1 14 14 SER C C 13 176.933 0.3 . 1 . . . . 14 SER C . 17042 1 42 . 1 1 14 14 SER CA C 13 58.671 0.3 . 1 . . . . 14 SER CA . 17042 1 43 . 1 1 14 14 SER CB C 13 63.827 0.3 . 1 . . . . 14 SER CB . 17042 1 44 . 1 1 14 14 SER N N 15 114.882 0.3 . 1 . . . . 14 SER N . 17042 1 45 . 1 1 15 15 LYS H H 1 8.343 0.020 . 1 . . . . 15 LYS H . 17042 1 46 . 1 1 15 15 LYS C C 13 175.466 0.3 . 1 . . . . 15 LYS C . 17042 1 47 . 1 1 15 15 LYS CA C 13 56.484 0.3 . 1 . . . . 15 LYS CA . 17042 1 48 . 1 1 15 15 LYS CB C 13 32.219 0.3 . 1 . . . . 15 LYS CB . 17042 1 49 . 1 1 15 15 LYS N N 15 122.534 0.3 . 1 . . . . 15 LYS N . 17042 1 50 . 1 1 16 16 ASP H H 1 8.201 0.020 . 1 . . . . 16 ASP H . 17042 1 51 . 1 1 16 16 ASP C C 13 176.213 0.3 . 1 . . . . 16 ASP C . 17042 1 52 . 1 1 16 16 ASP CA C 13 54.817 0.3 . 1 . . . . 16 ASP CA . 17042 1 53 . 1 1 16 16 ASP CB C 13 41.295 0.3 . 1 . . . . 16 ASP CB . 17042 1 54 . 1 1 16 16 ASP N N 15 120.881 0.3 . 1 . . . . 16 ASP N . 17042 1 55 . 1 1 17 17 GLN H H 1 8.291 0.020 . 1 . . . . 17 GLN H . 17042 1 56 . 1 1 17 17 GLN C C 13 176.080 0.3 . 1 . . . . 17 GLN C . 17042 1 57 . 1 1 17 17 GLN CA C 13 56.642 0.3 . 1 . . . . 17 GLN CA . 17042 1 58 . 1 1 17 17 GLN CB C 13 29.595 0.3 . 1 . . . . 17 GLN CB . 17042 1 59 . 1 1 17 17 GLN N N 15 121.452 0.3 . 1 . . . . 17 GLN N . 17042 1 60 . 1 1 18 18 SER H H 1 8.317 0.020 . 1 . . . . 18 SER H . 17042 1 61 . 1 1 18 18 SER C C 13 174.373 0.3 . 1 . . . . 18 SER C . 17042 1 62 . 1 1 18 18 SER CA C 13 59.496 0.3 . 1 . . . . 18 SER CA . 17042 1 63 . 1 1 18 18 SER CB C 13 64.249 0.3 . 1 . . . . 18 SER CB . 17042 1 64 . 1 1 18 18 SER N N 15 116.789 0.3 . 1 . . . . 18 SER N . 17042 1 65 . 1 1 19 19 LEU H H 1 8.006 0.020 . 1 . . . . 19 LEU H . 17042 1 66 . 1 1 19 19 LEU C C 13 176.880 0.3 . 1 . . . . 19 LEU C . 17042 1 67 . 1 1 19 19 LEU CA C 13 55.244 0.3 . 1 . . . . 19 LEU CA . 17042 1 68 . 1 1 19 19 LEU CB C 13 42.566 0.3 . 1 . . . . 19 LEU CB . 17042 1 69 . 1 1 19 19 LEU N N 15 123.387 0.3 . 1 . . . . 19 LEU N . 17042 1 70 . 1 1 20 20 ALA H H 1 8.059 0.020 . 1 . . . . 20 ALA H . 17042 1 71 . 1 1 20 20 ALA C C 13 177.627 0.3 . 1 . . . . 20 ALA C . 17042 1 72 . 1 1 20 20 ALA CA C 13 52.883 0.3 . 1 . . . . 20 ALA CA . 17042 1 73 . 1 1 20 20 ALA CB C 13 19.365 0.3 . 1 . . . . 20 ALA CB . 17042 1 74 . 1 1 20 20 ALA N N 15 124.809 0.3 . 1 . . . . 20 ALA N . 17042 1 75 . 1 1 21 21 VAL H H 1 7.906 0.020 . 1 . . . . 21 VAL H . 17042 1 76 . 1 1 21 21 VAL C C 13 175.760 0.3 . 1 . . . . 21 VAL C . 17042 1 77 . 1 1 21 21 VAL CA C 13 62.475 0.3 . 1 . . . . 21 VAL CA . 17042 1 78 . 1 1 21 21 VAL CB C 13 33.145 0.3 . 1 . . . . 21 VAL CB . 17042 1 79 . 1 1 21 21 VAL N N 15 118.493 0.3 . 1 . . . . 21 VAL N . 17042 1 80 . 1 1 22 22 ASP H H 1 8.231 0.020 . 1 . . . . 22 ASP H . 17042 1 81 . 1 1 22 22 ASP C C 13 176.000 0.3 . 1 . . . . 22 ASP C . 17042 1 82 . 1 1 22 22 ASP CA C 13 54.867 0.3 . 1 . . . . 22 ASP CA . 17042 1 83 . 1 1 22 22 ASP CB C 13 41.499 0.3 . 1 . . . . 22 ASP CB . 17042 1 84 . 1 1 22 22 ASP N N 15 123.162 0.3 . 1 . . . . 22 ASP N . 17042 1 85 . 1 1 23 23 ARG H H 1 8.121 0.020 . 1 . . . . 23 ARG H . 17042 1 86 . 1 1 23 23 ARG C C 13 176.133 0.3 . 1 . . . . 23 ARG C . 17042 1 87 . 1 1 23 23 ARG CA C 13 56.896 0.3 . 1 . . . . 23 ARG CA . 17042 1 88 . 1 1 23 23 ARG CB C 13 30.990 0.3 . 1 . . . . 23 ARG CB . 17042 1 89 . 1 1 23 23 ARG N N 15 121.377 0.3 . 1 . . . . 23 ARG N . 17042 1 90 . 1 1 24 24 VAL H H 1 8.159 0.020 . 1 . . . . 24 VAL H . 17042 1 91 . 1 1 24 24 VAL C C 13 176.507 0.3 . 1 . . . . 24 VAL C . 17042 1 92 . 1 1 24 24 VAL CA C 13 63.235 0.3 . 1 . . . . 24 VAL CA . 17042 1 93 . 1 1 24 24 VAL CB C 13 32.875 0.3 . 1 . . . . 24 VAL CB . 17042 1 94 . 1 1 24 24 VAL N N 15 120.997 0.3 . 1 . . . . 24 VAL N . 17042 1 95 . 1 1 25 25 THR H H 1 8.177 0.020 . 1 . . . . 25 THR H . 17042 1 96 . 1 1 25 25 THR C C 13 174.880 0.3 . 1 . . . . 25 THR C . 17042 1 97 . 1 1 25 25 THR CA C 13 62.403 0.3 . 1 . . . . 25 THR CA . 17042 1 98 . 1 1 25 25 THR CB C 13 70.066 0.3 . 1 . . . . 25 THR CB . 17042 1 99 . 1 1 25 25 THR N N 15 116.928 0.3 . 1 . . . . 25 THR N . 17042 1 100 . 1 1 26 26 GLY H H 1 8.280 0.020 . 1 . . . . 26 GLY H . 17042 1 101 . 1 1 26 26 GLY C C 13 173.999 0.3 . 1 . . . . 26 GLY C . 17042 1 102 . 1 1 26 26 GLY CA C 13 45.824 0.3 . 1 . . . . 26 GLY CA . 17042 1 103 . 1 1 26 26 GLY N N 15 110.755 0.3 . 1 . . . . 26 GLY N . 17042 1 104 . 1 1 27 27 LEU H H 1 8.066 0.020 . 1 . . . . 27 LEU H . 17042 1 105 . 1 1 27 27 LEU C C 13 177.920 0.3 . 1 . . . . 27 LEU C . 17042 1 106 . 1 1 27 27 LEU CA C 13 55.492 0.3 . 1 . . . . 27 LEU CA . 17042 1 107 . 1 1 27 27 LEU CB C 13 42.645 0.3 . 1 . . . . 27 LEU CB . 17042 1 108 . 1 1 27 27 LEU N N 15 121.363 0.3 . 1 . . . . 27 LEU N . 17042 1 109 . 1 1 28 28 GLY H H 1 8.345 0.020 . 1 . . . . 28 GLY H . 17042 1 110 . 1 1 28 28 GLY C C 13 175.653 0.3 . 1 . . . . 28 GLY C . 17042 1 111 . 1 1 28 28 GLY CA C 13 45.590 0.3 . 1 . . . . 28 GLY CA . 17042 1 112 . 1 1 28 28 GLY N N 15 109.160 0.3 . 1 . . . . 28 GLY N . 17042 1 113 . 1 1 29 29 ASN H H 1 8.227 0.020 . 1 . . . . 29 ASN H . 17042 1 114 . 1 1 29 29 ASN C C 13 175.200 0.3 . 1 . . . . 29 ASN C . 17042 1 115 . 1 1 29 29 ASN CA C 13 53.258 0.3 . 1 . . . . 29 ASN CA . 17042 1 116 . 1 1 29 29 ASN CB C 13 39.516 0.3 . 1 . . . . 29 ASN CB . 17042 1 117 . 1 1 29 29 ASN N N 15 118.452 0.3 . 1 . . . . 29 ASN N . 17042 1 118 . 1 1 30 30 GLY H H 1 8.259 0.020 . 1 . . . . 30 GLY H . 17042 1 119 . 1 1 30 30 GLY CA C 13 45.518 0.3 . 1 . . . . 30 GLY CA . 17042 1 120 . 1 1 30 30 GLY N N 15 109.293 0.3 . 1 . . . . 30 GLY N . 17042 1 121 . 1 1 32 32 GLN H H 1 8.496 0.020 . 1 . . . . 32 GLN H . 17042 1 122 . 1 1 32 32 GLN CA C 13 55.966 0.3 . 1 . . . . 32 GLN CA . 17042 1 123 . 1 1 32 32 GLN CB C 13 29.172 0.3 . 1 . . . . 32 GLN CB . 17042 1 124 . 1 1 32 32 GLN N N 15 120.186 0.3 . 1 . . . . 32 GLN N . 17042 1 125 . 1 1 34 34 ALA H H 1 8.151 0.020 . 1 . . . . 34 ALA H . 17042 1 126 . 1 1 34 34 ALA C C 13 177.413 0.3 . 1 . . . . 34 ALA C . 17042 1 127 . 1 1 34 34 ALA CA C 13 52.782 0.3 . 1 . . . . 34 ALA CA . 17042 1 128 . 1 1 34 34 ALA CB C 13 19.496 0.3 . 1 . . . . 34 ALA CB . 17042 1 129 . 1 1 34 34 ALA N N 15 124.962 0.3 . 1 . . . . 34 ALA N . 17042 1 130 . 1 1 35 35 GLN H H 1 8.322 0.020 . 1 . . . . 35 GLN H . 17042 1 131 . 1 1 35 35 GLN C C 13 176.480 0.3 . 1 . . . . 35 GLN C . 17042 1 132 . 1 1 35 35 GLN CA C 13 56.337 0.3 . 1 . . . . 35 GLN CA . 17042 1 133 . 1 1 35 35 GLN CB C 13 29.543 0.3 . 1 . . . . 35 GLN CB . 17042 1 134 . 1 1 35 35 GLN N N 15 119.302 0.3 . 1 . . . . 35 GLN N . 17042 1 135 . 1 1 36 36 GLY H H 1 8.312 0.020 . 1 . . . . 36 GLY H . 17042 1 136 . 1 1 36 36 GLY CA C 13 45.518 0.3 . 1 . . . . 36 GLY CA . 17042 1 137 . 1 1 36 36 GLY N N 15 109.706 0.3 . 1 . . . . 36 GLY N . 17042 1 138 . 1 1 38 38 GLY H H 1 8.358 0.020 . 1 . . . . 38 GLY H . 17042 1 139 . 1 1 38 38 GLY C C 13 172.093 0.3 . 1 . . . . 38 GLY C . 17042 1 140 . 1 1 38 38 GLY CA C 13 45.434 0.3 . 1 . . . . 38 GLY CA . 17042 1 141 . 1 1 38 38 GLY N N 15 109.649 0.3 . 1 . . . . 38 GLY N . 17042 1 142 . 1 1 39 39 GLN H H 1 8.055 0.020 . 1 . . . . 39 GLN H . 17042 1 143 . 1 1 39 39 GLN C C 13 176.427 0.3 . 1 . . . . 39 GLN C . 17042 1 144 . 1 1 39 39 GLN CA C 13 56.337 0.3 . 1 . . . . 39 GLN CA . 17042 1 145 . 1 1 39 39 GLN CB C 13 29.543 0.3 . 1 . . . . 39 GLN CB . 17042 1 146 . 1 1 39 39 GLN N N 15 121.664 0.3 . 1 . . . . 39 GLN N . 17042 1 147 . 1 1 40 40 GLY H H 1 8.418 0.020 . 1 . . . . 40 GLY H . 17042 1 148 . 1 1 40 40 GLY C C 13 173.813 0.3 . 1 . . . . 40 GLY C . 17042 1 149 . 1 1 40 40 GLY CA C 13 45.603 0.3 . 1 . . . . 40 GLY CA . 17042 1 150 . 1 1 40 40 GLY N N 15 109.982 0.3 . 1 . . . . 40 GLY N . 17042 1 151 . 1 1 41 41 ALA H H 1 8.201 0.020 . 1 . . . . 41 ALA H . 17042 1 152 . 1 1 41 41 ALA C C 13 178.240 0.3 . 1 . . . . 41 ALA C . 17042 1 153 . 1 1 41 41 ALA CA C 13 53.048 0.3 . 1 . . . . 41 ALA CA . 17042 1 154 . 1 1 41 41 ALA CB C 13 19.790 0.3 . 1 . . . . 41 ALA CB . 17042 1 155 . 1 1 41 41 ALA N N 15 123.923 0.3 . 1 . . . . 41 ALA N . 17042 1 156 . 1 1 42 42 GLY H H 1 8.362 0.020 . 1 . . . . 42 GLY H . 17042 1 157 . 1 1 42 42 GLY C C 13 174.053 0.3 . 1 . . . . 42 GLY C . 17042 1 158 . 1 1 42 42 GLY CA C 13 45.444 0.3 . 1 . . . . 42 GLY CA . 17042 1 159 . 1 1 42 42 GLY N N 15 108.121 0.3 . 1 . . . . 42 GLY N . 17042 1 160 . 1 1 43 43 SER H H 1 8.071 0.020 . 1 . . . . 43 SER H . 17042 1 161 . 1 1 43 43 SER C C 13 174.506 0.3 . 1 . . . . 43 SER C . 17042 1 162 . 1 1 43 43 SER CA C 13 58.619 0.3 . 1 . . . . 43 SER CA . 17042 1 163 . 1 1 43 43 SER CB C 13 64.127 0.3 . 1 . . . . 43 SER CB . 17042 1 164 . 1 1 43 43 SER N N 15 115.482 0.3 . 1 . . . . 43 SER N . 17042 1 165 . 1 1 44 44 VAL H H 1 8.109 0.020 . 1 . . . . 44 VAL H . 17042 1 166 . 1 1 44 44 VAL CA C 13 62.570 0.3 . 1 . . . . 44 VAL CA . 17042 1 167 . 1 1 44 44 VAL CB C 13 32.971 0.3 . 1 . . . . 44 VAL CB . 17042 1 168 . 1 1 44 44 VAL N N 15 121.510 0.3 . 1 . . . . 44 VAL N . 17042 1 169 . 1 1 48 48 ASN H H 1 7.919 0.020 . 1 . . . . 48 ASN H . 17042 1 170 . 1 1 48 48 ASN C C 13 175.466 0.3 . 1 . . . . 48 ASN C . 17042 1 171 . 1 1 48 48 ASN CA C 13 55.043 0.3 . 1 . . . . 48 ASN CA . 17042 1 172 . 1 1 48 48 ASN CB C 13 41.208 0.3 . 1 . . . . 48 ASN CB . 17042 1 173 . 1 1 48 48 ASN N N 15 123.489 0.3 . 1 . . . . 48 ASN N . 17042 1 174 . 1 1 49 49 GLY H H 1 8.216 0.020 . 1 . . . . 49 GLY H . 17042 1 175 . 1 1 49 49 GLY C C 13 173.733 0.3 . 1 . . . . 49 GLY C . 17042 1 176 . 1 1 49 49 GLY CA C 13 45.654 0.3 . 1 . . . . 49 GLY CA . 17042 1 177 . 1 1 49 49 GLY N N 15 108.926 0.3 . 1 . . . . 49 GLY N . 17042 1 178 . 1 1 50 50 VAL H H 1 7.791 0.020 . 1 . . . . 50 VAL H . 17042 1 179 . 1 1 50 50 VAL C C 13 175.520 0.3 . 1 . . . . 50 VAL C . 17042 1 180 . 1 1 50 50 VAL CA C 13 62.052 0.3 . 1 . . . . 50 VAL CA . 17042 1 181 . 1 1 50 50 VAL CB C 13 32.722 0.3 . 1 . . . . 50 VAL CB . 17042 1 182 . 1 1 50 50 VAL N N 15 119.307 0.3 . 1 . . . . 50 VAL N . 17042 1 183 . 1 1 51 51 ALA H H 1 8.285 0.020 . 1 . . . . 51 ALA H . 17042 1 184 . 1 1 51 51 ALA C C 13 177.173 0.3 . 1 . . . . 51 ALA C . 17042 1 185 . 1 1 51 51 ALA CA C 13 52.525 0.3 . 1 . . . . 51 ALA CA . 17042 1 186 . 1 1 51 51 ALA CB C 13 19.706 0.3 . 1 . . . . 51 ALA CB . 17042 1 187 . 1 1 51 51 ALA N N 15 128.046 0.3 . 1 . . . . 51 ALA N . 17042 1 188 . 1 1 52 52 ILE H H 1 8.019 0.020 . 1 . . . . 52 ILE H . 17042 1 189 . 1 1 52 52 ILE C C 13 175.466 0.3 . 1 . . . . 52 ILE C . 17042 1 190 . 1 1 52 52 ILE CA C 13 60.895 0.3 . 1 . . . . 52 ILE CA . 17042 1 191 . 1 1 52 52 ILE CB C 13 39.252 0.3 . 1 . . . . 52 ILE CB . 17042 1 192 . 1 1 52 52 ILE N N 15 120.604 0.3 . 1 . . . . 52 ILE N . 17042 1 193 . 1 1 53 53 ASP H H 1 8.308 0.020 . 1 . . . . 53 ASP H . 17042 1 194 . 1 1 53 53 ASP CA C 13 51.942 0.3 . 1 . . . . 53 ASP CA . 17042 1 195 . 1 1 53 53 ASP CB C 13 41.630 0.3 . 1 . . . . 53 ASP CB . 17042 1 196 . 1 1 53 53 ASP N N 15 126.026 0.3 . 1 . . . . 53 ASP N . 17042 1 197 . 1 1 55 55 THR H H 1 8.286 0.020 . 1 . . . . 55 THR H . 17042 1 198 . 1 1 55 55 THR C C 13 174.986 0.3 . 1 . . . . 55 THR C . 17042 1 199 . 1 1 55 55 THR CA C 13 63.188 0.3 . 1 . . . . 55 THR CA . 17042 1 200 . 1 1 55 55 THR CB C 13 69.702 0.3 . 1 . . . . 55 THR CB . 17042 1 201 . 1 1 55 55 THR N N 15 112.177 0.3 . 1 . . . . 55 THR N . 17042 1 202 . 1 1 56 56 MET H H 1 7.846 0.020 . 1 . . . . 56 MET H . 17042 1 203 . 1 1 56 56 MET C C 13 176.507 0.3 . 1 . . . . 56 MET C . 17042 1 204 . 1 1 56 56 MET CA C 13 55.838 0.3 . 1 . . . . 56 MET CA . 17042 1 205 . 1 1 56 56 MET CB C 13 33.077 0.3 . 1 . . . . 56 MET CB . 17042 1 206 . 1 1 56 56 MET N N 15 121.795 0.3 . 1 . . . . 56 MET N . 17042 1 207 . 1 1 57 57 LYS H H 1 8.126 0.020 . 1 . . . . 57 LYS H . 17042 1 208 . 1 1 57 57 LYS CA C 13 57.344 0.3 . 1 . . . . 57 LYS CA . 17042 1 209 . 1 1 57 57 LYS CB C 13 30.541 0.3 . 1 . . . . 57 LYS CB . 17042 1 210 . 1 1 57 57 LYS N N 15 122.041 0.3 . 1 . . . . 57 LYS N . 17042 1 211 . 1 1 61 61 ALA H H 1 8.185 0.020 . 1 . . . . 61 ALA H . 17042 1 212 . 1 1 61 61 ALA C C 13 177.280 0.3 . 1 . . . . 61 ALA C . 17042 1 213 . 1 1 61 61 ALA CA C 13 53.008 0.3 . 1 . . . . 61 ALA CA . 17042 1 214 . 1 1 61 61 ALA CB C 13 19.706 0.3 . 1 . . . . 61 ALA CB . 17042 1 215 . 1 1 61 61 ALA N N 15 124.848 0.3 . 1 . . . . 61 ALA N . 17042 1 216 . 1 1 62 62 ASN H H 1 8.298 0.020 . 1 . . . . 62 ASN H . 17042 1 217 . 1 1 62 62 ASN C C 13 175.173 0.3 . 1 . . . . 62 ASN C . 17042 1 218 . 1 1 62 62 ASN CA C 13 53.407 0.3 . 1 . . . . 62 ASN CA . 17042 1 219 . 1 1 62 62 ASN CB C 13 38.832 0.3 . 1 . . . . 62 ASN CB . 17042 1 220 . 1 1 62 62 ASN N N 15 117.664 0.3 . 1 . . . . 62 ASN N . 17042 1 221 . 1 1 63 63 LEU H H 1 8.121 0.020 . 1 . . . . 63 LEU H . 17042 1 222 . 1 1 63 63 LEU C C 13 177.333 0.3 . 1 . . . . 63 LEU C . 17042 1 223 . 1 1 63 63 LEU CA C 13 56.008 0.3 . 1 . . . . 63 LEU CA . 17042 1 224 . 1 1 63 63 LEU CB C 13 42.316 0.3 . 1 . . . . 63 LEU CB . 17042 1 225 . 1 1 63 63 LEU N N 15 122.394 0.3 . 1 . . . . 63 LEU N . 17042 1 226 . 1 1 64 64 GLN H H 1 8.195 0.020 . 1 . . . . 64 GLN H . 17042 1 227 . 1 1 64 64 GLN C C 13 176.053 0.3 . 1 . . . . 64 GLN C . 17042 1 228 . 1 1 64 64 GLN CA C 13 56.558 0.3 . 1 . . . . 64 GLN CA . 17042 1 229 . 1 1 64 64 GLN CB C 13 29.848 0.3 . 1 . . . . 64 GLN CB . 17042 1 230 . 1 1 64 64 GLN N N 15 119.727 0.3 . 1 . . . . 64 GLN N . 17042 1 231 . 1 1 65 65 ASP H H 1 8.194 0.020 . 1 . . . . 65 ASP H . 17042 1 232 . 1 1 65 65 ASP C C 13 176.053 0.3 . 1 . . . . 65 ASP C . 17042 1 233 . 1 1 65 65 ASP CA C 13 54.771 0.3 . 1 . . . . 65 ASP CA . 17042 1 234 . 1 1 65 65 ASP CB C 13 41.404 0.3 . 1 . . . . 65 ASP CB . 17042 1 235 . 1 1 65 65 ASP N N 15 121.391 0.3 . 1 . . . . 65 ASP N . 17042 1 236 . 1 1 66 66 ILE H H 1 7.954 0.020 . 1 . . . . 66 ILE H . 17042 1 237 . 1 1 66 66 ILE C C 13 176.533 0.3 . 1 . . . . 66 ILE C . 17042 1 238 . 1 1 66 66 ILE CA C 13 61.639 0.3 . 1 . . . . 66 ILE CA . 17042 1 239 . 1 1 66 66 ILE CB C 13 38.925 0.3 . 1 . . . . 66 ILE CB . 17042 1 240 . 1 1 66 66 ILE N N 15 120.249 0.3 . 1 . . . . 66 ILE N . 17042 1 241 . 1 1 67 67 GLY H H 1 8.372 0.020 . 1 . . . . 67 GLY H . 17042 1 242 . 1 1 67 67 GLY C C 13 173.893 0.3 . 1 . . . . 67 GLY C . 17042 1 243 . 1 1 67 67 GLY CA C 13 45.440 0.3 . 1 . . . . 67 GLY CA . 17042 1 244 . 1 1 67 67 GLY N N 15 112.167 0.3 . 1 . . . . 67 GLY N . 17042 1 245 . 1 1 68 68 GLU H H 1 8.163 0.020 . 1 . . . . 68 GLU H . 17042 1 246 . 1 1 68 68 GLU CA C 13 56.844 0.3 . 1 . . . . 68 GLU CA . 17042 1 247 . 1 1 68 68 GLU CB C 13 30.473 0.3 . 1 . . . . 68 GLU CB . 17042 1 248 . 1 1 68 68 GLU N N 15 120.401 0.3 . 1 . . . . 68 GLU N . 17042 1 249 . 1 1 69 69 HIS H H 1 8.362 0.020 . 1 . . . . 69 HIS H . 17042 1 250 . 1 1 69 69 HIS CA C 13 56.665 0.3 . 1 . . . . 69 HIS CA . 17042 1 251 . 1 1 69 69 HIS CB C 13 33.262 0.3 . 1 . . . . 69 HIS CB . 17042 1 252 . 1 1 69 69 HIS N N 15 118.582 0.3 . 1 . . . . 69 HIS N . 17042 1 253 . 1 1 70 70 ASP H H 1 8.354 0.020 . 1 . . . . 70 ASP H . 17042 1 254 . 1 1 70 70 ASP C C 13 176.347 0.3 . 1 . . . . 70 ASP C . 17042 1 255 . 1 1 70 70 ASP CA C 13 54.553 0.3 . 1 . . . . 70 ASP CA . 17042 1 256 . 1 1 70 70 ASP CB C 13 41.461 0.3 . 1 . . . . 70 ASP CB . 17042 1 257 . 1 1 70 70 ASP N N 15 121.475 0.3 . 1 . . . . 70 ASP N . 17042 1 258 . 1 1 71 71 GLU H H 1 8.439 0.020 . 1 . . . . 71 GLU H . 17042 1 259 . 1 1 71 71 GLU C C 13 175.626 0.3 . 1 . . . . 71 GLU C . 17042 1 260 . 1 1 71 71 GLU CA C 13 56.727 0.3 . 1 . . . . 71 GLU CA . 17042 1 261 . 1 1 71 71 GLU CB C 13 29.678 0.3 . 1 . . . . 71 GLU CB . 17042 1 262 . 1 1 71 71 GLU N N 15 121.587 0.3 . 1 . . . . 71 GLU N . 17042 1 263 . 1 1 72 72 LEU H H 1 8.248 0.020 . 1 . . . . 72 LEU H . 17042 1 264 . 1 1 72 72 LEU C C 13 177.360 0.3 . 1 . . . . 72 LEU C . 17042 1 265 . 1 1 72 72 LEU CA C 13 55.829 0.3 . 1 . . . . 72 LEU CA . 17042 1 266 . 1 1 72 72 LEU CB C 13 42.388 0.3 . 1 . . . . 72 LEU CB . 17042 1 267 . 1 1 72 72 LEU N N 15 124.973 0.3 . 1 . . . . 72 LEU N . 17042 1 268 . 1 1 73 73 LEU H H 1 7.946 0.020 . 1 . . . . 73 LEU H . 17042 1 269 . 1 1 73 73 LEU C C 13 177.093 0.3 . 1 . . . . 73 LEU C . 17042 1 270 . 1 1 73 73 LEU CA C 13 55.459 0.3 . 1 . . . . 73 LEU CA . 17042 1 271 . 1 1 73 73 LEU CB C 13 42.077 0.3 . 1 . . . . 73 LEU CB . 17042 1 272 . 1 1 73 73 LEU N N 15 122.051 0.3 . 1 . . . . 73 LEU N . 17042 1 273 . 1 1 74 74 LYS H H 1 7.957 0.020 . 1 . . . . 74 LYS H . 17042 1 274 . 1 1 74 74 LYS C C 13 176.213 0.3 . 1 . . . . 74 LYS C . 17042 1 275 . 1 1 74 74 LYS CA C 13 56.675 0.3 . 1 . . . . 74 LYS CA . 17042 1 276 . 1 1 74 74 LYS CB C 13 33.044 0.3 . 1 . . . . 74 LYS CB . 17042 1 277 . 1 1 74 74 LYS N N 15 121.751 0.3 . 1 . . . . 74 LYS N . 17042 1 278 . 1 1 75 75 GLU H H 1 8.236 0.020 . 1 . . . . 75 GLU H . 17042 1 279 . 1 1 75 75 GLU C C 13 176.027 0.3 . 1 . . . . 75 GLU C . 17042 1 280 . 1 1 75 75 GLU CA C 13 56.422 0.3 . 1 . . . . 75 GLU CA . 17042 1 281 . 1 1 75 75 GLU CB C 13 30.472 0.3 . 1 . . . . 75 GLU CB . 17042 1 282 . 1 1 75 75 GLU N N 15 121.619 0.3 . 1 . . . . 75 GLU N . 17042 1 283 . 1 1 76 76 ILE H H 1 8.053 0.020 . 1 . . . . 76 ILE H . 17042 1 284 . 1 1 76 76 ILE C C 13 175.786 0.3 . 1 . . . . 76 ILE C . 17042 1 285 . 1 1 76 76 ILE CA C 13 61.148 0.3 . 1 . . . . 76 ILE CA . 17042 1 286 . 1 1 76 76 ILE CB C 13 38.941 0.3 . 1 . . . . 76 ILE CB . 17042 1 287 . 1 1 76 76 ILE N N 15 121.742 0.3 . 1 . . . . 76 ILE N . 17042 1 288 . 1 1 77 77 GLU H H 1 8.329 0.020 . 1 . . . . 77 GLU H . 17042 1 289 . 1 1 77 77 GLU CA C 13 54.731 0.3 . 1 . . . . 77 GLU CA . 17042 1 290 . 1 1 77 77 GLU CB C 13 30.051 0.3 . 1 . . . . 77 GLU CB . 17042 1 291 . 1 1 77 77 GLU N N 15 126.505 0.3 . 1 . . . . 77 GLU N . 17042 1 292 . 1 1 79 79 VAL H H 1 8.142 0.020 . 1 . . . . 79 VAL H . 17042 1 293 . 1 1 79 79 VAL C C 13 176.187 0.3 . 1 . . . . 79 VAL C . 17042 1 294 . 1 1 79 79 VAL CA C 13 62.841 0.3 . 1 . . . . 79 VAL CA . 17042 1 295 . 1 1 79 79 VAL CB C 13 32.639 0.3 . 1 . . . . 79 VAL CB . 17042 1 296 . 1 1 79 79 VAL N N 15 120.690 0.3 . 1 . . . . 79 VAL N . 17042 1 297 . 1 1 80 80 LEU H H 1 8.240 0.020 . 1 . . . . 80 LEU H . 17042 1 298 . 1 1 80 80 LEU C C 13 176.507 0.3 . 1 . . . . 80 LEU C . 17042 1 299 . 1 1 80 80 LEU CA C 13 55.356 0.3 . 1 . . . . 80 LEU CA . 17042 1 300 . 1 1 80 80 LEU CB C 13 42.764 0.3 . 1 . . . . 80 LEU CB . 17042 1 301 . 1 1 80 80 LEU N N 15 125.899 0.3 . 1 . . . . 80 LEU N . 17042 1 302 . 1 1 81 81 SER H H 1 8.191 0.020 . 1 . . . . 81 SER H . 17042 1 303 . 1 1 81 81 SER C C 13 175.813 0.3 . 1 . . . . 81 SER C . 17042 1 304 . 1 1 81 81 SER CA C 13 58.515 0.3 . 1 . . . . 81 SER CA . 17042 1 305 . 1 1 81 81 SER CB C 13 64.195 0.3 . 1 . . . . 81 SER CB . 17042 1 306 . 1 1 81 81 SER N N 15 116.791 0.3 . 1 . . . . 81 SER N . 17042 1 307 . 1 1 82 82 ILE H H 1 8.008 0.020 . 1 . . . . 82 ILE H . 17042 1 308 . 1 1 82 82 ILE C C 13 176.267 0.3 . 1 . . . . 82 ILE C . 17042 1 309 . 1 1 82 82 ILE CA C 13 61.828 0.3 . 1 . . . . 82 ILE CA . 17042 1 310 . 1 1 82 82 ILE CB C 13 38.713 0.3 . 1 . . . . 82 ILE CB . 17042 1 311 . 1 1 82 82 ILE N N 15 122.302 0.3 . 1 . . . . 82 ILE N . 17042 1 312 . 1 1 83 83 LEU H H 1 8.104 0.020 . 1 . . . . 83 LEU H . 17042 1 313 . 1 1 83 83 LEU CA C 13 55.577 0.3 . 1 . . . . 83 LEU CA . 17042 1 314 . 1 1 83 83 LEU CB C 13 42.443 0.3 . 1 . . . . 83 LEU CB . 17042 1 315 . 1 1 83 83 LEU N N 15 124.873 0.3 . 1 . . . . 83 LEU N . 17042 1 316 . 1 1 88 88 LYS H H 1 8.110 0.020 . 1 . . . . 88 LYS H . 17042 1 317 . 1 1 88 88 LYS C C 13 176.187 0.3 . 1 . . . . 88 LYS C . 17042 1 318 . 1 1 88 88 LYS CA C 13 56.506 0.3 . 1 . . . . 88 LYS CA . 17042 1 319 . 1 1 88 88 LYS CB C 13 30.947 0.3 . 1 . . . . 88 LYS CB . 17042 1 320 . 1 1 88 88 LYS N N 15 121.312 0.3 . 1 . . . . 88 LYS N . 17042 1 321 . 1 1 89 89 ALA H H 1 8.234 0.020 . 1 . . . . 89 ALA H . 17042 1 322 . 1 1 89 89 ALA C C 13 177.814 0.3 . 1 . . . . 89 ALA C . 17042 1 323 . 1 1 89 89 ALA CA C 13 52.904 0.3 . 1 . . . . 89 ALA CA . 17042 1 324 . 1 1 89 89 ALA CB C 13 19.570 0.3 . 1 . . . . 89 ALA CB . 17042 1 325 . 1 1 89 89 ALA N N 15 125.255 0.3 . 1 . . . . 89 ALA N . 17042 1 326 . 1 1 90 90 THR H H 1 8.029 0.020 . 1 . . . . 90 THR H . 17042 1 327 . 1 1 90 90 THR CA C 13 62.030 0.3 . 1 . . . . 90 THR CA . 17042 1 328 . 1 1 90 90 THR CB C 13 69.860 0.3 . 1 . . . . 90 THR CB . 17042 1 329 . 1 1 90 90 THR N N 15 112.896 0.3 . 1 . . . . 90 THR N . 17042 1 330 . 1 1 93 93 GLY H H 1 8.262 0.020 . 1 . . . . 93 GLY H . 17042 1 331 . 1 1 93 93 GLY C C 13 174.026 0.3 . 1 . . . . 93 GLY C . 17042 1 332 . 1 1 93 93 GLY CA C 13 45.011 0.3 . 1 . . . . 93 GLY CA . 17042 1 333 . 1 1 93 93 GLY N N 15 109.190 0.3 . 1 . . . . 93 GLY N . 17042 1 334 . 1 1 94 94 GLY H H 1 8.034 0.020 . 1 . . . . 94 GLY H . 17042 1 335 . 1 1 94 94 GLY CA C 13 44.758 0.3 . 1 . . . . 94 GLY CA . 17042 1 336 . 1 1 94 94 GLY N N 15 108.869 0.3 . 1 . . . . 94 GLY N . 17042 1 337 . 1 1 96 96 ALA H H 1 8.326 0.020 . 1 . . . . 96 ALA H . 17042 1 338 . 1 1 96 96 ALA CA C 13 52.348 0.3 . 1 . . . . 96 ALA CA . 17042 1 339 . 1 1 96 96 ALA CB C 13 19.345 0.3 . 1 . . . . 96 ALA CB . 17042 1 340 . 1 1 96 96 ALA N N 15 124.301 0.3 . 1 . . . . 96 ALA N . 17042 1 341 . 1 1 97 97 LYS H H 1 8.170 0.020 . 1 . . . . 97 LYS H . 17042 1 342 . 1 1 97 97 LYS N N 15 120.824 0.3 . 1 . . . . 97 LYS N . 17042 1 343 . 1 1 98 98 ALA H H 1 8.210 0.020 . 1 . . . . 98 ALA H . 17042 1 344 . 1 1 98 98 ALA C C 13 177.467 0.3 . 1 . . . . 98 ALA C . 17042 1 345 . 1 1 98 98 ALA CA C 13 50.641 0.3 . 1 . . . . 98 ALA CA . 17042 1 346 . 1 1 98 98 ALA CB C 13 18.555 0.3 . 1 . . . . 98 ALA CB . 17042 1 347 . 1 1 98 98 ALA N N 15 127.030 0.3 . 1 . . . . 98 ALA N . 17042 1 348 . 1 1 99 99 GLU H H 1 8.303 0.020 . 1 . . . . 99 GLU H . 17042 1 349 . 1 1 99 99 GLU C C 13 176.240 0.3 . 1 . . . . 99 GLU C . 17042 1 350 . 1 1 99 99 GLU CA C 13 56.727 0.3 . 1 . . . . 99 GLU CA . 17042 1 351 . 1 1 99 99 GLU CB C 13 30.521 0.3 . 1 . . . . 99 GLU CB . 17042 1 352 . 1 1 99 99 GLU N N 15 119.974 0.3 . 1 . . . . 99 GLU N . 17042 1 353 . 1 1 100 100 MET H H 1 8.282 0.020 . 1 . . . . 100 MET H . 17042 1 354 . 1 1 100 100 MET C C 13 176.240 0.3 . 1 . . . . 100 MET C . 17042 1 355 . 1 1 100 100 MET CA C 13 56.844 0.3 . 1 . . . . 100 MET CA . 17042 1 356 . 1 1 100 100 MET CB C 13 33.516 0.3 . 1 . . . . 100 MET CB . 17042 1 357 . 1 1 100 100 MET N N 15 121.877 0.3 . 1 . . . . 100 MET N . 17042 1 358 . 1 1 101 101 LYS H H 1 8.238 0.020 . 1 . . . . 101 LYS H . 17042 1 359 . 1 1 101 101 LYS C C 13 176.027 0.3 . 1 . . . . 101 LYS C . 17042 1 360 . 1 1 101 101 LYS CA C 13 56.422 0.3 . 1 . . . . 101 LYS CA . 17042 1 361 . 1 1 101 101 LYS CB C 13 30.477 0.3 . 1 . . . . 101 LYS CB . 17042 1 362 . 1 1 101 101 LYS N N 15 121.868 0.3 . 1 . . . . 101 LYS N . 17042 1 363 . 1 1 102 102 ASP H H 1 8.345 0.020 . 1 . . . . 102 ASP H . 17042 1 364 . 1 1 102 102 ASP C C 13 176.453 0.3 . 1 . . . . 102 ASP C . 17042 1 365 . 1 1 102 102 ASP CA C 13 54.577 0.3 . 1 . . . . 102 ASP CA . 17042 1 366 . 1 1 102 102 ASP CB C 13 41.495 0.3 . 1 . . . . 102 ASP CB . 17042 1 367 . 1 1 102 102 ASP N N 15 121.674 0.3 . 1 . . . . 102 ASP N . 17042 1 368 . 1 1 103 103 THR H H 1 8.074 0.020 . 1 . . . . 103 THR H . 17042 1 369 . 1 1 103 103 THR C C 13 175.226 0.3 . 1 . . . . 103 THR C . 17042 1 370 . 1 1 103 103 THR CA C 13 62.643 0.3 . 1 . . . . 103 THR CA . 17042 1 371 . 1 1 103 103 THR CB C 13 69.997 0.3 . 1 . . . . 103 THR CB . 17042 1 372 . 1 1 103 103 THR N N 15 113.890 0.3 . 1 . . . . 103 THR N . 17042 1 373 . 1 1 104 104 GLY H H 1 8.395 0.020 . 1 . . . . 104 GLY H . 17042 1 374 . 1 1 104 104 GLY C C 13 173.839 0.3 . 1 . . . . 104 GLY C . 17042 1 375 . 1 1 104 104 GLY CA C 13 45.401 0.3 . 1 . . . . 104 GLY CA . 17042 1 376 . 1 1 104 104 GLY N N 15 110.958 0.3 . 1 . . . . 104 GLY N . 17042 1 377 . 1 1 105 105 ILE H H 1 7.812 0.020 . 1 . . . . 105 ILE H . 17042 1 378 . 1 1 105 105 ILE C C 13 175.973 0.3 . 1 . . . . 105 ILE C . 17042 1 379 . 1 1 105 105 ILE CA C 13 61.324 0.3 . 1 . . . . 105 ILE CA . 17042 1 380 . 1 1 105 105 ILE CB C 13 38.950 0.3 . 1 . . . . 105 ILE CB . 17042 1 381 . 1 1 105 105 ILE N N 15 119.835 0.3 . 1 . . . . 105 ILE N . 17042 1 382 . 1 1 106 106 GLN H H 1 8.423 0.020 . 1 . . . . 106 GLN H . 17042 1 383 . 1 1 106 106 GLN C C 13 175.600 0.3 . 1 . . . . 106 GLN C . 17042 1 384 . 1 1 106 106 GLN CA C 13 55.830 0.3 . 1 . . . . 106 GLN CA . 17042 1 385 . 1 1 106 106 GLN CB C 13 29.598 0.3 . 1 . . . . 106 GLN CB . 17042 1 386 . 1 1 106 106 GLN N N 15 125.180 0.3 . 1 . . . . 106 GLN N . 17042 1 387 . 1 1 107 107 VAL H H 1 8.131 0.020 . 1 . . . . 107 VAL H . 17042 1 388 . 1 1 107 107 VAL C C 13 175.493 0.3 . 1 . . . . 107 VAL C . 17042 1 389 . 1 1 107 107 VAL CA C 13 62.897 0.3 . 1 . . . . 107 VAL CA . 17042 1 390 . 1 1 107 107 VAL CB C 13 33.314 0.3 . 1 . . . . 107 VAL CB . 17042 1 391 . 1 1 107 107 VAL N N 15 121.900 0.3 . 1 . . . . 107 VAL N . 17042 1 392 . 1 1 108 108 ASP H H 1 8.345 0.020 . 1 . . . . 108 ASP H . 17042 1 393 . 1 1 108 108 ASP C C 13 175.040 0.3 . 1 . . . . 108 ASP C . 17042 1 394 . 1 1 108 108 ASP CA C 13 54.657 0.3 . 1 . . . . 108 ASP CA . 17042 1 395 . 1 1 108 108 ASP CB C 13 41.405 0.3 . 1 . . . . 108 ASP CB . 17042 1 396 . 1 1 108 108 ASP N N 15 123.865 0.3 . 1 . . . . 108 ASP N . 17042 1 397 . 1 1 109 109 ARG H H 1 8.183 0.020 . 1 . . . . 109 ARG H . 17042 1 398 . 1 1 109 109 ARG C C 13 175.893 0.3 . 1 . . . . 109 ARG C . 17042 1 399 . 1 1 109 109 ARG CA C 13 56.467 0.3 . 1 . . . . 109 ARG CA . 17042 1 400 . 1 1 109 109 ARG CB C 13 31.120 0.3 . 1 . . . . 109 ARG CB . 17042 1 401 . 1 1 109 109 ARG N N 15 121.654 0.3 . 1 . . . . 109 ARG N . 17042 1 402 . 1 1 110 110 ASP H H 1 8.344 0.020 . 1 . . . . 110 ASP H . 17042 1 403 . 1 1 110 110 ASP C C 13 176.000 0.3 . 1 . . . . 110 ASP C . 17042 1 404 . 1 1 110 110 ASP CA C 13 54.788 0.3 . 1 . . . . 110 ASP CA . 17042 1 405 . 1 1 110 110 ASP CB C 13 41.132 0.3 . 1 . . . . 110 ASP CB . 17042 1 406 . 1 1 110 110 ASP N N 15 120.811 0.3 . 1 . . . . 110 ASP N . 17042 1 407 . 1 1 111 111 LEU H H 1 8.057 0.020 . 1 . . . . 111 LEU H . 17042 1 408 . 1 1 111 111 LEU C C 13 177.467 0.3 . 1 . . . . 111 LEU C . 17042 1 409 . 1 1 111 111 LEU CA C 13 55.970 0.3 . 1 . . . . 111 LEU CA . 17042 1 410 . 1 1 111 111 LEU CB C 13 42.276 0.3 . 1 . . . . 111 LEU CB . 17042 1 411 . 1 1 111 111 LEU N N 15 121.994 0.3 . 1 . . . . 111 LEU N . 17042 1 412 . 1 1 112 112 ASP H H 1 8.175 0.020 . 1 . . . . 112 ASP H . 17042 1 413 . 1 1 112 112 ASP C C 13 176.827 0.3 . 1 . . . . 112 ASP C . 17042 1 414 . 1 1 112 112 ASP CA C 13 54.900 0.3 . 1 . . . . 112 ASP CA . 17042 1 415 . 1 1 112 112 ASP CB C 13 41.396 0.3 . 1 . . . . 112 ASP CB . 17042 1 416 . 1 1 112 112 ASP N N 15 119.896 0.3 . 1 . . . . 112 ASP N . 17042 1 417 . 1 1 113 113 GLY H H 1 8.213 0.020 . 1 . . . . 113 GLY H . 17042 1 418 . 1 1 113 113 GLY C C 13 174.480 0.3 . 1 . . . . 113 GLY C . 17042 1 419 . 1 1 113 113 GLY CA C 13 46.110 0.3 . 1 . . . . 113 GLY CA . 17042 1 420 . 1 1 113 113 GLY N N 15 109.124 0.3 . 1 . . . . 113 GLY N . 17042 1 421 . 1 1 114 114 LYS H H 1 8.051 0.020 . 1 . . . . 114 LYS H . 17042 1 422 . 1 1 114 114 LYS CA C 13 56.506 0.3 . 1 . . . . 114 LYS CA . 17042 1 423 . 1 1 114 114 LYS CB C 13 31.234 0.3 . 1 . . . . 114 LYS CB . 17042 1 424 . 1 1 114 114 LYS N N 15 120.281 0.3 . 1 . . . . 114 LYS N . 17042 1 425 . 1 1 121 121 LEU H H 1 8.296 0.020 . 1 . . . . 121 LEU H . 17042 1 426 . 1 1 121 121 LEU C C 13 177.947 0.3 . 1 . . . . 121 LEU C . 17042 1 427 . 1 1 121 121 LEU CA C 13 55.584 0.3 . 1 . . . . 121 LEU CA . 17042 1 428 . 1 1 121 121 LEU CB C 13 42.728 0.3 . 1 . . . . 121 LEU CB . 17042 1 429 . 1 1 121 121 LEU N N 15 122.493 0.3 . 1 . . . . 121 LEU N . 17042 1 430 . 1 1 122 122 GLY H H 1 8.392 0.020 . 1 . . . . 122 GLY H . 17042 1 431 . 1 1 122 122 GLY C C 13 174.400 0.3 . 1 . . . . 122 GLY C . 17042 1 432 . 1 1 122 122 GLY CA C 13 45.411 0.3 . 1 . . . . 122 GLY CA . 17042 1 433 . 1 1 122 122 GLY N N 15 109.794 0.3 . 1 . . . . 122 GLY N . 17042 1 434 . 1 1 123 123 GLY H H 1 8.216 0.020 . 1 . . . . 123 GLY H . 17042 1 435 . 1 1 123 123 GLY C C 13 173.946 0.3 . 1 . . . . 123 GLY C . 17042 1 436 . 1 1 123 123 GLY CA C 13 45.713 0.3 . 1 . . . . 123 GLY CA . 17042 1 437 . 1 1 123 123 GLY N N 15 108.743 0.3 . 1 . . . . 123 GLY N . 17042 1 438 . 1 1 124 124 ASP H H 1 8.301 0.020 . 1 . . . . 124 ASP H . 17042 1 439 . 1 1 124 124 ASP C C 13 176.187 0.3 . 1 . . . . 124 ASP C . 17042 1 440 . 1 1 124 124 ASP CA C 13 54.985 0.3 . 1 . . . . 124 ASP CA . 17042 1 441 . 1 1 124 124 ASP CB C 13 41.415 0.3 . 1 . . . . 124 ASP CB . 17042 1 442 . 1 1 124 124 ASP N N 15 120.109 0.3 . 1 . . . . 124 ASP N . 17042 1 443 . 1 1 125 125 ASN H H 1 8.329 0.020 . 1 . . . . 125 ASN H . 17042 1 444 . 1 1 125 125 ASN C C 13 174.853 0.3 . 1 . . . . 125 ASN C . 17042 1 445 . 1 1 125 125 ASN CA C 13 53.971 0.3 . 1 . . . . 125 ASN CA . 17042 1 446 . 1 1 125 125 ASN CB C 13 39.179 0.3 . 1 . . . . 125 ASN CB . 17042 1 447 . 1 1 125 125 ASN N N 15 118.437 0.3 . 1 . . . . 125 ASN N . 17042 1 448 . 1 1 126 126 ASP H H 1 8.182 0.020 . 1 . . . . 126 ASP H . 17042 1 449 . 1 1 126 126 ASP C C 13 176.027 0.3 . 1 . . . . 126 ASP C . 17042 1 450 . 1 1 126 126 ASP CA C 13 54.857 0.3 . 1 . . . . 126 ASP CA . 17042 1 451 . 1 1 126 126 ASP CB C 13 41.383 0.3 . 1 . . . . 126 ASP CB . 17042 1 452 . 1 1 126 126 ASP N N 15 120.077 0.3 . 1 . . . . 126 ASP N . 17042 1 453 . 1 1 127 127 ARG H H 1 7.950 0.020 . 1 . . . . 127 ARG H . 17042 1 454 . 1 1 127 127 ARG C C 13 175.947 0.3 . 1 . . . . 127 ARG C . 17042 1 455 . 1 1 127 127 ARG CA C 13 56.591 0.3 . 1 . . . . 127 ARG CA . 17042 1 456 . 1 1 127 127 ARG CB C 13 30.896 0.3 . 1 . . . . 127 ARG CB . 17042 1 457 . 1 1 127 127 ARG N N 15 120.470 0.3 . 1 . . . . 127 ARG N . 17042 1 458 . 1 1 128 128 VAL H H 1 7.888 0.020 . 1 . . . . 128 VAL H . 17042 1 459 . 1 1 128 128 VAL C C 13 175.813 0.3 . 1 . . . . 128 VAL C . 17042 1 460 . 1 1 128 128 VAL CA C 13 63.066 0.3 . 1 . . . . 128 VAL CA . 17042 1 461 . 1 1 128 128 VAL CB C 13 33.060 0.3 . 1 . . . . 128 VAL CB . 17042 1 462 . 1 1 128 128 VAL N N 15 120.427 0.3 . 1 . . . . 128 VAL N . 17042 1 463 . 1 1 129 129 PHE H H 1 8.206 0.020 . 1 . . . . 129 PHE H . 17042 1 464 . 1 1 129 129 PHE CA C 13 58.197 0.3 . 1 . . . . 129 PHE CA . 17042 1 465 . 1 1 129 129 PHE CB C 13 39.805 0.3 . 1 . . . . 129 PHE CB . 17042 1 466 . 1 1 129 129 PHE N N 15 123.359 0.3 . 1 . . . . 129 PHE N . 17042 1 467 . 1 1 131 131 ASP H H 1 8.176 0.020 . 1 . . . . 131 ASP H . 17042 1 468 . 1 1 131 131 ASP C C 13 176.240 0.3 . 1 . . . . 131 ASP C . 17042 1 469 . 1 1 131 131 ASP CA C 13 55.022 0.3 . 1 . . . . 131 ASP CA . 17042 1 470 . 1 1 131 131 ASP CB C 13 41.199 0.3 . 1 . . . . 131 ASP CB . 17042 1 471 . 1 1 131 131 ASP N N 15 120.753 0.3 . 1 . . . . 131 ASP N . 17042 1 472 . 1 1 132 132 LEU H H 1 7.867 0.020 . 1 . . . . 132 LEU H . 17042 1 473 . 1 1 132 132 LEU C C 13 177.333 0.3 . 1 . . . . 132 LEU C . 17042 1 474 . 1 1 132 132 LEU CA C 13 55.712 0.3 . 1 . . . . 132 LEU CA . 17042 1 475 . 1 1 132 132 LEU CB C 13 41.935 0.3 . 1 . . . . 132 LEU CB . 17042 1 476 . 1 1 132 132 LEU N N 15 121.093 0.3 . 1 . . . . 132 LEU N . 17042 1 477 . 1 1 133 133 TRP H H 1 7.850 0.020 . 1 . . . . 133 TRP H . 17042 1 478 . 1 1 133 133 TRP C C 13 176.800 0.3 . 1 . . . . 133 TRP C . 17042 1 479 . 1 1 133 133 TRP CA C 13 57.741 0.3 . 1 . . . . 133 TRP CA . 17042 1 480 . 1 1 133 133 TRP CB C 13 29.882 0.3 . 1 . . . . 133 TRP CB . 17042 1 481 . 1 1 133 133 TRP N N 15 120.018 0.3 . 1 . . . . 133 TRP N . 17042 1 482 . 1 1 134 134 GLY H H 1 8.099 0.020 . 1 . . . . 134 GLY H . 17042 1 483 . 1 1 134 134 GLY C C 13 173.919 0.3 . 1 . . . . 134 GLY C . 17042 1 484 . 1 1 134 134 GLY CA C 13 45.654 0.3 . 1 . . . . 134 GLY CA . 17042 1 485 . 1 1 134 134 GLY N N 15 110.147 0.3 . 1 . . . . 134 GLY N . 17042 1 486 . 1 1 135 135 LYS H H 1 8.169 0.020 . 1 . . . . 135 LYS H . 17042 1 487 . 1 1 135 135 LYS C C 13 176.267 0.3 . 1 . . . . 135 LYS C . 17042 1 488 . 1 1 135 135 LYS CA C 13 56.956 0.3 . 1 . . . . 135 LYS CA . 17042 1 489 . 1 1 135 135 LYS CB C 13 30.541 0.3 . 1 . . . . 135 LYS CB . 17042 1 490 . 1 1 135 135 LYS N N 15 120.221 0.3 . 1 . . . . 135 LYS N . 17042 1 491 . 1 1 136 136 ASP H H 1 8.269 0.020 . 1 . . . . 136 ASP H . 17042 1 492 . 1 1 136 136 ASP C C 13 175.626 0.3 . 1 . . . . 136 ASP C . 17042 1 493 . 1 1 136 136 ASP CA C 13 54.671 0.3 . 1 . . . . 136 ASP CA . 17042 1 494 . 1 1 136 136 ASP CB C 13 41.265 0.3 . 1 . . . . 136 ASP CB . 17042 1 495 . 1 1 136 136 ASP N N 15 119.747 0.3 . 1 . . . . 136 ASP N . 17042 1 496 . 1 1 137 137 ASN H H 1 8.131 0.020 . 1 . . . . 137 ASN H . 17042 1 497 . 1 1 137 137 ASN C C 13 174.426 0.3 . 1 . . . . 137 ASN C . 17042 1 498 . 1 1 137 137 ASN CA C 13 53.853 0.3 . 1 . . . . 137 ASN CA . 17042 1 499 . 1 1 137 137 ASN CB C 13 39.315 0.3 . 1 . . . . 137 ASN CB . 17042 1 500 . 1 1 137 137 ASN N N 15 118.269 0.3 . 1 . . . . 137 ASN N . 17042 1 501 . 1 1 138 138 VAL H H 1 7.862 0.020 . 1 . . . . 138 VAL H . 17042 1 502 . 1 1 138 138 VAL CA C 13 63.495 0.3 . 1 . . . . 138 VAL CA . 17042 1 503 . 1 1 138 138 VAL CB C 13 32.722 0.3 . 1 . . . . 138 VAL CB . 17042 1 504 . 1 1 138 138 VAL N N 15 121.537 0.3 . 1 . . . . 138 VAL N . 17042 1 505 . 1 1 140 140 VAL H H 1 8.080 0.020 . 1 . . . . 140 VAL H . 17042 1 506 . 1 1 140 140 VAL C C 13 175.840 0.3 . 1 . . . . 140 VAL C . 17042 1 507 . 1 1 140 140 VAL CA C 13 63.268 0.3 . 1 . . . . 140 VAL CA . 17042 1 508 . 1 1 140 140 VAL CB C 13 32.248 0.3 . 1 . . . . 140 VAL CB . 17042 1 509 . 1 1 140 140 VAL N N 15 121.197 0.3 . 1 . . . . 140 VAL N . 17042 1 510 . 1 1 141 141 VAL H H 1 8.146 0.020 . 1 . . . . 141 VAL H . 17042 1 511 . 1 1 141 141 VAL C C 13 175.546 0.3 . 1 . . . . 141 VAL C . 17042 1 512 . 1 1 141 141 VAL CA C 13 62.508 0.3 . 1 . . . . 141 VAL CA . 17042 1 513 . 1 1 141 141 VAL CB C 13 33.009 0.3 . 1 . . . . 141 VAL CB . 17042 1 514 . 1 1 141 141 VAL N N 15 125.124 0.3 . 1 . . . . 141 VAL N . 17042 1 515 . 1 1 142 142 LEU H H 1 8.294 0.020 . 1 . . . . 142 LEU H . 17042 1 516 . 1 1 142 142 LEU C C 13 173.640 0.3 . 1 . . . . 142 LEU C . 17042 1 517 . 1 1 142 142 LEU CA C 13 55.058 0.3 . 1 . . . . 142 LEU CA . 17042 1 518 . 1 1 142 142 LEU CB C 13 42.666 0.3 . 1 . . . . 142 LEU CB . 17042 1 519 . 1 1 142 142 LEU N N 15 126.840 0.3 . 1 . . . . 142 LEU N . 17042 1 520 . 1 1 143 143 ASN H H 1 8.290 0.020 . 1 . . . . 143 ASN H . 17042 1 521 . 1 1 143 143 ASN CA C 13 53.481 0.3 . 1 . . . . 143 ASN CA . 17042 1 522 . 1 1 143 143 ASN CB C 13 39.264 0.3 . 1 . . . . 143 ASN CB . 17042 1 523 . 1 1 143 143 ASN N N 15 118.989 0.3 . 1 . . . . 143 ASN N . 17042 1 524 . 1 1 146 146 TYR H H 1 7.998 0.020 . 1 . . . . 146 TYR H . 17042 1 525 . 1 1 146 146 TYR C C 13 175.733 0.3 . 1 . . . . 146 TYR C . 17042 1 526 . 1 1 146 146 TYR CA C 13 58.076 0.3 . 1 . . . . 146 TYR CA . 17042 1 527 . 1 1 146 146 TYR CB C 13 38.512 0.3 . 1 . . . . 146 TYR CB . 17042 1 528 . 1 1 146 146 TYR N N 15 119.401 0.3 . 1 . . . . 146 TYR N . 17042 1 529 . 1 1 147 147 SER H H 1 7.827 0.020 . 1 . . . . 147 SER H . 17042 1 530 . 1 1 147 147 SER C C 13 174.186 0.3 . 1 . . . . 147 SER C . 17042 1 531 . 1 1 147 147 SER CA C 13 58.386 0.3 . 1 . . . . 147 SER CA . 17042 1 532 . 1 1 147 147 SER CB C 13 64.080 0.3 . 1 . . . . 147 SER CB . 17042 1 533 . 1 1 147 147 SER N N 15 117.074 0.3 . 1 . . . . 147 SER N . 17042 1 534 . 1 1 148 148 GLU H H 1 8.345 0.020 . 1 . . . . 148 GLU H . 17042 1 535 . 1 1 148 148 GLU CA C 13 57.024 0.3 . 1 . . . . 148 GLU CA . 17042 1 536 . 1 1 148 148 GLU CB C 13 30.453 0.3 . 1 . . . . 148 GLU CB . 17042 1 537 . 1 1 148 148 GLU N N 15 123.037 0.3 . 1 . . . . 148 GLU N . 17042 1 538 . 1 1 154 154 THR H H 1 8.122 0.020 . 1 . . . . 154 THR H . 17042 1 539 . 1 1 154 154 THR CA C 13 62.085 0.3 . 1 . . . . 154 THR CA . 17042 1 540 . 1 1 154 154 THR CB C 13 70.120 0.3 . 1 . . . . 154 THR CB . 17042 1 541 . 1 1 154 154 THR N N 15 114.191 0.3 . 1 . . . . 154 THR N . 17042 1 542 . 1 1 161 161 THR H H 1 8.145 0.020 . 1 . . . . 161 THR H . 17042 1 543 . 1 1 161 161 THR CA C 13 62.085 0.3 . 1 . . . . 161 THR CA . 17042 1 544 . 1 1 161 161 THR CB C 13 69.861 0.3 . 1 . . . . 161 THR CB . 17042 1 545 . 1 1 161 161 THR N N 15 113.160 0.3 . 1 . . . . 161 THR N . 17042 1 546 . 1 1 164 164 GLY H H 1 8.170 0.020 . 1 . . . . 164 GLY H . 17042 1 547 . 1 1 164 164 GLY C C 13 171.399 0.3 . 1 . . . . 164 GLY C . 17042 1 548 . 1 1 164 164 GLY CA C 13 45.602 0.3 . 1 . . . . 164 GLY CA . 17042 1 549 . 1 1 164 164 GLY N N 15 113.992 0.3 . 1 . . . . 164 GLY N . 17042 1 550 . 1 1 165 165 SER H H 1 8.123 0.020 . 1 . . . . 165 SER H . 17042 1 551 . 1 1 165 165 SER CA C 13 56.929 0.3 . 1 . . . . 165 SER CA . 17042 1 552 . 1 1 165 165 SER CB C 13 63.775 0.3 . 1 . . . . 165 SER CB . 17042 1 553 . 1 1 165 165 SER N N 15 116.780 0.3 . 1 . . . . 165 SER N . 17042 1 stop_ save_