data_18922 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18922 _Entry.Title ; 1H, 13C and 15N assignments of the dimeric receiver domain of PmrAn response regulator from Klebsiella pneumonia ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-29 _Entry.Accession_date 2012-12-29 _Entry.Last_release_date 2014-04-22 _Entry.Original_release_date 2014-04-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shih-chi Luo . . . 18922 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18922 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 352 18922 '15N chemical shifts' 117 18922 '1H chemical shifts' 428 18922 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 . . 2014-04-22 2012-12-29 original author . 18922 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18922 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23861396 _Citation.Full_citation . _Citation.Title 'Structural basis of a physical blockage mechanism for the interaction of response regulator PmrA with connector protein PmrD from Klebsiella pneumoniae.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 35 _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 25551 _Citation.Page_last 25561 _Citation.Year 2013 _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 Shih-Chi Luo . . . 18922 1 2 Yuan-Chao Lou . . . 18922 1 3 Mahalingam Rajasekaran . . . 18922 1 4 Yi-Wei Chang . . . 18922 1 5 Chwan-Deng Hsiao . . . 18922 1 6 Chinpan Chen . . . 18922 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID PmrA 18922 1 'receiver domain' 18922 1 'response regulator' 18922 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18922 _Assembly.ID 1 _Assembly.Name 'PmrAn dimer' _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 'PmrAn, subunit 1' 1 $PmrAn A . yes native yes yes . . . 18922 1 2 'PmrAn, subunit 2' 1 $PmrAn B . no native yes yes . . . 18922 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PmrAn _Entity.Sf_category entity _Entity.Sf_framecode PmrAn _Entity.Entry_ID 18922 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PmrAn _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 ; MKILVIEDDALLLQGLILAM QSEGYVCDGVSTAHEAALSL ASNHYSLIVLDLGLPDEDGL HFLSRMRREKMTQPVLILTA RDTLEDRISGLDTGADDYLV KPFALEELNARIRALLRRHN NQG ; _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 123 _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 BMRB 26532 . PmrA . . . . . 100.00 231 100.00 100.00 1.26e-79 . . . . 18922 1 2 no BMRB 26535 . PmrA . . . . . 100.00 231 100.00 100.00 1.26e-79 . . . . 18922 1 3 no PDB 3W9S . "Crystal Structure Analysis Of The N-terminal Receiver Domain Of Response Regulator Pmra" . . . . . 100.00 131 100.00 100.00 6.66e-81 . . . . 18922 1 4 no PDB 4S04 . "Crystal Structure Of Klebsiella Pneumoniae Pmra In Complex With Pmra Box Dna" . . . . . 100.00 232 100.00 100.00 1.36e-79 . . . . 18922 1 5 no PDB 4S05 . "Crystal Structure Of Klebsiella Pneumoniae Pmra In Complex With Pmra Box Dna" . . . . . 100.00 232 100.00 100.00 1.36e-79 . . . . 18922 1 6 no DBJ BAH62495 . "OmpR family response regulator in two-component regulatory system with BasS [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044" . . . . . 100.00 223 100.00 100.00 4.05e-80 . . . . 18922 1 7 no DBJ BAS36450 . "transcriptional regulatory protein BasR/PmrA [Klebsiella pneumoniae]" . . . . . 100.00 223 99.19 100.00 1.72e-79 . . . . 18922 1 8 no EMBL CCI78009 . "basR [Klebsiella pneumoniae subsp. rhinoscleromatis SB3432]" . . . . . 100.00 223 98.37 98.37 2.70e-78 . . . . 18922 1 9 no EMBL CCM81779 . "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST258-K26BO]" . . . . . 100.00 223 100.00 100.00 4.05e-80 . . . . 18922 1 10 no EMBL CCM90377 . "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST258-K28BO]" . . . . . 100.00 223 100.00 100.00 4.05e-80 . . . . 18922 1 11 no EMBL CCM95353 . "Transcriptional regulatory protein basR/pmrA [Klebsiella pneumoniae subsp. pneumoniae ST512-K30BO]" . . . . . 100.00 223 100.00 100.00 4.05e-80 . . . . 18922 1 12 no EMBL CCN28862 . "transcriptional regulatory protein BasR [Klebsiella pneumoniae subsp. pneumoniae Ecl8]" . . . . . 100.00 223 100.00 100.00 4.05e-80 . . . . 18922 1 13 no GB ABR76243 . "response regulator in two-component regulatory system with BasS (OmpR family) [Klebsiella pneumoniae subsp. pneumoniae MGH 7857" . . . . . 100.00 223 100.00 100.00 4.05e-80 . . . . 18922 1 14 no GB ACI11257 . "transcriptional regulatory protein BasR [Klebsiella pneumoniae 342]" . . . . . 100.00 223 99.19 100.00 1.72e-79 . . . . 18922 1 15 no GB ADC59454 . "two component transcriptional regulator, winged helix family [Klebsiella variicola At-22]" . . . . . 100.00 223 99.19 100.00 1.72e-79 . . . . 18922 1 16 no GB AEJ97287 . "DNA-binding transcriptional regulator BasR [Klebsiella pneumoniae KCTC 2242]" . . . . . 100.00 223 100.00 100.00 4.05e-80 . . . . 18922 1 17 no GB AEW60332 . "DNA-binding transcriptional regulator BasR [Klebsiella pneumoniae subsp. pneumoniae HS11286]" . . . . . 100.00 223 100.00 100.00 4.05e-80 . . . . 18922 1 18 no REF WP_002895659 . "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" . . . . . 100.00 223 100.00 100.00 4.05e-80 . . . . 18922 1 19 no REF WP_004142095 . "DNA-binding response regulator [Klebsiella pneumoniae]" . . . . . 100.00 223 98.37 98.37 2.70e-78 . . . . 18922 1 20 no REF WP_004886130 . "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" . . . . . 100.00 223 99.19 100.00 2.19e-79 . . . . 18922 1 21 no REF WP_008805743 . "MULTISPECIES: DNA-binding response regulator [Enterobacteriaceae]" . . . . . 100.00 223 99.19 100.00 1.72e-79 . . . . 18922 1 22 no REF WP_016947497 . "DNA-binding response regulator [Klebsiella pneumoniae]" . . . . . 100.00 223 99.19 100.00 8.68e-80 . . . . 18922 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18922 1 2 . LYS . 18922 1 3 . ILE . 18922 1 4 . LEU . 18922 1 5 . VAL . 18922 1 6 . ILE . 18922 1 7 . GLU . 18922 1 8 . ASP . 18922 1 9 . ASP . 18922 1 10 . ALA . 18922 1 11 . LEU . 18922 1 12 . LEU . 18922 1 13 . LEU . 18922 1 14 . GLN . 18922 1 15 . GLY . 18922 1 16 . LEU . 18922 1 17 . ILE . 18922 1 18 . LEU . 18922 1 19 . ALA . 18922 1 20 . MET . 18922 1 21 . GLN . 18922 1 22 . SER . 18922 1 23 . GLU . 18922 1 24 . GLY . 18922 1 25 . TYR . 18922 1 26 . VAL . 18922 1 27 . CYS . 18922 1 28 . ASP . 18922 1 29 . GLY . 18922 1 30 . VAL . 18922 1 31 . SER . 18922 1 32 . THR . 18922 1 33 . ALA . 18922 1 34 . HIS . 18922 1 35 . GLU . 18922 1 36 . ALA . 18922 1 37 . ALA . 18922 1 38 . LEU . 18922 1 39 . SER . 18922 1 40 . LEU . 18922 1 41 . ALA . 18922 1 42 . SER . 18922 1 43 . ASN . 18922 1 44 . HIS . 18922 1 45 . TYR . 18922 1 46 . SER . 18922 1 47 . LEU . 18922 1 48 . ILE . 18922 1 49 . VAL . 18922 1 50 . LEU . 18922 1 51 . ASP . 18922 1 52 . LEU . 18922 1 53 . GLY . 18922 1 54 . LEU . 18922 1 55 . PRO . 18922 1 56 . ASP . 18922 1 57 . GLU . 18922 1 58 . ASP . 18922 1 59 . GLY . 18922 1 60 . LEU . 18922 1 61 . HIS . 18922 1 62 . PHE . 18922 1 63 . LEU . 18922 1 64 . SER . 18922 1 65 . ARG . 18922 1 66 . MET . 18922 1 67 . ARG . 18922 1 68 . ARG . 18922 1 69 . GLU . 18922 1 70 . LYS . 18922 1 71 . MET . 18922 1 72 . THR . 18922 1 73 . GLN . 18922 1 74 . PRO . 18922 1 75 . VAL . 18922 1 76 . LEU . 18922 1 77 . ILE . 18922 1 78 . LEU . 18922 1 79 . THR . 18922 1 80 . ALA . 18922 1 81 . ARG . 18922 1 82 . ASP . 18922 1 83 . THR . 18922 1 84 . LEU . 18922 1 85 . GLU . 18922 1 86 . ASP . 18922 1 87 . ARG . 18922 1 88 . ILE . 18922 1 89 . SER . 18922 1 90 . GLY . 18922 1 91 . LEU . 18922 1 92 . ASP . 18922 1 93 . THR . 18922 1 94 . GLY . 18922 1 95 . ALA . 18922 1 96 . ASP . 18922 1 97 . ASP . 18922 1 98 . TYR . 18922 1 99 . LEU . 18922 1 100 . VAL . 18922 1 101 . LYS . 18922 1 102 . PRO . 18922 1 103 . PHE . 18922 1 104 . ALA . 18922 1 105 . LEU . 18922 1 106 . GLU . 18922 1 107 . GLU . 18922 1 108 . LEU . 18922 1 109 . ASN . 18922 1 110 . ALA . 18922 1 111 . ARG . 18922 1 112 . ILE . 18922 1 113 . ARG . 18922 1 114 . ALA . 18922 1 115 . LEU . 18922 1 116 . LEU . 18922 1 117 . ARG . 18922 1 118 . ARG . 18922 1 119 . HIS . 18922 1 120 . ASN . 18922 1 121 . ASN . 18922 1 122 . GLN . 18922 1 123 . GLY . 18922 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18922 1 . LYS 2 2 18922 1 . ILE 3 3 18922 1 . LEU 4 4 18922 1 . VAL 5 5 18922 1 . ILE 6 6 18922 1 . GLU 7 7 18922 1 . ASP 8 8 18922 1 . ASP 9 9 18922 1 . ALA 10 10 18922 1 . LEU 11 11 18922 1 . LEU 12 12 18922 1 . LEU 13 13 18922 1 . GLN 14 14 18922 1 . GLY 15 15 18922 1 . LEU 16 16 18922 1 . ILE 17 17 18922 1 . LEU 18 18 18922 1 . ALA 19 19 18922 1 . MET 20 20 18922 1 . GLN 21 21 18922 1 . SER 22 22 18922 1 . GLU 23 23 18922 1 . GLY 24 24 18922 1 . TYR 25 25 18922 1 . VAL 26 26 18922 1 . CYS 27 27 18922 1 . ASP 28 28 18922 1 . GLY 29 29 18922 1 . VAL 30 30 18922 1 . SER 31 31 18922 1 . THR 32 32 18922 1 . ALA 33 33 18922 1 . HIS 34 34 18922 1 . GLU 35 35 18922 1 . ALA 36 36 18922 1 . ALA 37 37 18922 1 . LEU 38 38 18922 1 . SER 39 39 18922 1 . LEU 40 40 18922 1 . ALA 41 41 18922 1 . SER 42 42 18922 1 . ASN 43 43 18922 1 . HIS 44 44 18922 1 . TYR 45 45 18922 1 . SER 46 46 18922 1 . LEU 47 47 18922 1 . ILE 48 48 18922 1 . VAL 49 49 18922 1 . LEU 50 50 18922 1 . ASP 51 51 18922 1 . LEU 52 52 18922 1 . GLY 53 53 18922 1 . LEU 54 54 18922 1 . PRO 55 55 18922 1 . ASP 56 56 18922 1 . GLU 57 57 18922 1 . ASP 58 58 18922 1 . GLY 59 59 18922 1 . LEU 60 60 18922 1 . HIS 61 61 18922 1 . PHE 62 62 18922 1 . LEU 63 63 18922 1 . SER 64 64 18922 1 . ARG 65 65 18922 1 . MET 66 66 18922 1 . ARG 67 67 18922 1 . ARG 68 68 18922 1 . GLU 69 69 18922 1 . LYS 70 70 18922 1 . MET 71 71 18922 1 . THR 72 72 18922 1 . GLN 73 73 18922 1 . PRO 74 74 18922 1 . VAL 75 75 18922 1 . LEU 76 76 18922 1 . ILE 77 77 18922 1 . LEU 78 78 18922 1 . THR 79 79 18922 1 . ALA 80 80 18922 1 . ARG 81 81 18922 1 . ASP 82 82 18922 1 . THR 83 83 18922 1 . LEU 84 84 18922 1 . GLU 85 85 18922 1 . ASP 86 86 18922 1 . ARG 87 87 18922 1 . ILE 88 88 18922 1 . SER 89 89 18922 1 . GLY 90 90 18922 1 . LEU 91 91 18922 1 . ASP 92 92 18922 1 . THR 93 93 18922 1 . GLY 94 94 18922 1 . ALA 95 95 18922 1 . ASP 96 96 18922 1 . ASP 97 97 18922 1 . TYR 98 98 18922 1 . LEU 99 99 18922 1 . VAL 100 100 18922 1 . LYS 101 101 18922 1 . PRO 102 102 18922 1 . PHE 103 103 18922 1 . ALA 104 104 18922 1 . LEU 105 105 18922 1 . GLU 106 106 18922 1 . GLU 107 107 18922 1 . LEU 108 108 18922 1 . ASN 109 109 18922 1 . ALA 110 110 18922 1 . ARG 111 111 18922 1 . ILE 112 112 18922 1 . ARG 113 113 18922 1 . ALA 114 114 18922 1 . LEU 115 115 18922 1 . LEU 116 116 18922 1 . ARG 117 117 18922 1 . ARG 118 118 18922 1 . HIS 119 119 18922 1 . ASN 120 120 18922 1 . ASN 121 121 18922 1 . GLN 122 122 18922 1 . GLY 123 123 18922 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 18922 _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 $PmrAn . 573 organism . 'Klebsiella pneumoniae' 'Klebsiella pneumoniae' . . Bacteria . Klebsiella pneumoniae . . . . . . . . . . . . . . . . . . . . . 18922 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 18922 _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 $PmrAn . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET29b . . . . . . 18922 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18922 _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 PmrAn '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $PmrAn . . . 0.5 1 mM . . . . 18922 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 18922 _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' 0.15 . M 18922 1 pH 8 . pH 18922 1 pressure 1 . atm 18922 1 temperature 310 . K 18922 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18922 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18922 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18922 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 18922 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18922 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _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 18922 _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 . 850 . . . 18922 1 2 spectrometer_2 Bruker Avance . 800 . . . 18922 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 18922 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18922 1 2 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18922 1 3 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18922 1 4 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18922 1 5 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18922 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18922 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $NMRView _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 18922 _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 carbons' . . . . ppm 0 external direct 1 . . . . . . . . . 18922 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 18922 1 N 15 DSS nitrogen . . . . ppm 0 external direct 1 . . . . . . . . . 18922 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 18922 _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' . . . 18922 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 1 1 MET C C 13 173.239 . . . . . . . 1 M C . 18922 1 2 . 1 1 1 1 MET CA C 13 61.669 . . . . . . . 1 M CA . 18922 1 3 . 1 1 1 1 MET CB C 13 33.083 . . . . . . . 1 M CB . 18922 1 4 . 1 1 2 2 LYS H H 1 8.666 . . . . . . . 2 K HN . 18922 1 5 . 1 1 2 2 LYS HA H 1 5.571 . . . . . . . 2 K HA . 18922 1 6 . 1 1 2 2 LYS HB2 H 1 1.839 . . . . . . . 2 K HB1 . 18922 1 7 . 1 1 2 2 LYS HB3 H 1 1.839 . . . . . . . 2 K HB2 . 18922 1 8 . 1 1 2 2 LYS CA C 13 54.952 . . . . . . . 2 K CA . 18922 1 9 . 1 1 2 2 LYS CB C 13 34.800 . . . . . . . 2 K CB . 18922 1 10 . 1 1 2 2 LYS N N 15 123.331 . . . . . . . 2 K N . 18922 1 11 . 1 1 3 3 ILE H H 1 9.117 . . . . . . . 3 I HN . 18922 1 12 . 1 1 3 3 ILE HA H 1 4.967 . . . . . . . 3 I HA . 18922 1 13 . 1 1 3 3 ILE HB H 1 1.809 . . . . . . . 3 I HB . 18922 1 14 . 1 1 3 3 ILE C C 13 175.500 . . . . . . . 3 I C . 18922 1 15 . 1 1 3 3 ILE CA C 13 58.935 . . . . . . . 3 I CA . 18922 1 16 . 1 1 3 3 ILE CB C 13 40.112 . . . . . . . 3 I CB . 18922 1 17 . 1 1 3 3 ILE N N 15 126.123 . . . . . . . 3 I N . 18922 1 18 . 1 1 4 4 LEU H H 1 7.833 . . . . . . . 4 L HN . 18922 1 19 . 1 1 4 4 LEU HA H 1 4.907 . . . . . . . 4 L HA . 18922 1 20 . 1 1 4 4 LEU HB2 H 1 1.196 . . . . . . . 4 L HB1 . 18922 1 21 . 1 1 4 4 LEU HB3 H 1 1.196 . . . . . . . 4 L HB2 . 18922 1 22 . 1 1 4 4 LEU C C 13 173.700 . . . . . . . 4 L C . 18922 1 23 . 1 1 4 4 LEU CA C 13 52.296 . . . . . . . 4 L CA . 18922 1 24 . 1 1 4 4 LEU CB C 13 41.440 . . . . . . . 4 L CB . 18922 1 25 . 1 1 4 4 LEU N N 15 127.731 . . . . . . . 4 L N . 18922 1 26 . 1 1 5 5 VAL H H 1 8.720 . . . . . . . 5 V HN . 18922 1 27 . 1 1 5 5 VAL HA H 1 4.605 . . . . . . . 5 V HA . 18922 1 28 . 1 1 5 5 VAL HB H 1 1.819 . . . . . . . 5 V HB . 18922 1 29 . 1 1 5 5 VAL C C 13 173.960 . . . . . . . 5 V C . 18922 1 30 . 1 1 5 5 VAL CA C 13 60.497 . . . . . . . 5 V CA . 18922 1 31 . 1 1 5 5 VAL CB C 13 31.989 . . . . . . . 5 V CB . 18922 1 32 . 1 1 5 5 VAL N N 15 126.516 . . . . . . . 5 V N . 18922 1 33 . 1 1 6 6 ILE H H 1 8.622 . . . . . . . 6 I HN . 18922 1 34 . 1 1 6 6 ILE HA H 1 4.585 . . . . . . . 6 I HA . 18922 1 35 . 1 1 6 6 ILE HB H 1 1.940 . . . . . . . 6 I HB . 18922 1 36 . 1 1 6 6 ILE C C 13 173.400 . . . . . . . 6 I C . 18922 1 37 . 1 1 6 6 ILE CA C 13 59.091 . . . . . . . 6 I CA . 18922 1 38 . 1 1 6 6 ILE CB C 13 37.378 . . . . . . . 6 I CB . 18922 1 39 . 1 1 6 6 ILE N N 15 127.733 . . . . . . . 6 I N . 18922 1 40 . 1 1 7 7 GLU H H 1 8.262 . . . . . . . 7 E HN . 18922 1 41 . 1 1 7 7 GLU HA H 1 4.394 . . . . . . . 7 E HA . 18922 1 42 . 1 1 7 7 GLU HB2 H 1 1.568 . . . . . . . 7 E HB1 . 18922 1 43 . 1 1 7 7 GLU HB3 H 1 1.568 . . . . . . . 7 E HB2 . 18922 1 44 . 1 1 7 7 GLU C C 13 173.670 . . . . . . . 7 E C . 18922 1 45 . 1 1 7 7 GLU CA C 13 56.202 . . . . . . . 7 E CA . 18922 1 46 . 1 1 7 7 GLU CB C 13 30.974 . . . . . . . 7 E CB . 18922 1 47 . 1 1 7 7 GLU N N 15 125.211 . . . . . . . 7 E N . 18922 1 48 . 1 1 8 8 ASP H H 1 8.526 . . . . . . . 8 D HN . 18922 1 49 . 1 1 8 8 ASP HA H 1 4.655 . . . . . . . 8 D HA . 18922 1 50 . 1 1 8 8 ASP HB2 H 1 2.915 . . . . . . . 8 D HB1 . 18922 1 51 . 1 1 8 8 ASP HB3 H 1 2.915 . . . . . . . 8 D HB2 . 18922 1 52 . 1 1 8 8 ASP C C 13 178.614 . . . . . . . 8 D C . 18922 1 53 . 1 1 8 8 ASP CA C 13 54.171 . . . . . . . 8 D CA . 18922 1 54 . 1 1 8 8 ASP CB C 13 39.800 . . . . . . . 8 D CB . 18922 1 55 . 1 1 8 8 ASP N N 15 122.611 . . . . . . . 8 D N . 18922 1 56 . 1 1 9 9 ASP H H 1 10.388 . . . . . . . 9 D HN . 18922 1 57 . 1 1 9 9 ASP HA H 1 4.655 . . . . . . . 9 D HA . 18922 1 58 . 1 1 9 9 ASP HB2 H 1 3.207 . . . . . . . 9 D HB1 . 18922 1 59 . 1 1 9 9 ASP HB3 H 1 2.604 . . . . . . . 9 D HB2 . 18922 1 60 . 1 1 9 9 ASP C C 13 176.320 . . . . . . . 9 D C . 18922 1 61 . 1 1 9 9 ASP CA C 13 53.624 . . . . . . . 9 D CA . 18922 1 62 . 1 1 9 9 ASP CB C 13 40.034 . . . . . . . 9 D CB . 18922 1 63 . 1 1 9 9 ASP N N 15 126.583 . . . . . . . 9 D N . 18922 1 64 . 1 1 10 10 ALA H H 1 8.404 . . . . . . . 10 A HN . 18922 1 65 . 1 1 10 10 ALA HA H 1 4.102 . . . . . . . 10 A HA . 18922 1 66 . 1 1 10 10 ALA HB1 H 1 1.548 . . . . . . . 10 A HB1 . 18922 1 67 . 1 1 10 10 ALA HB2 H 1 1.548 . . . . . . . 10 A HB1 . 18922 1 68 . 1 1 10 10 ALA HB3 H 1 1.548 . . . . . . . 10 A HB1 . 18922 1 69 . 1 1 10 10 ALA C C 13 175.940 . . . . . . . 10 A C . 18922 1 70 . 1 1 10 10 ALA CA C 13 54.952 . . . . . . . 10 A CA . 18922 1 71 . 1 1 10 10 ALA CB C 13 40.034 . . . . . . . 10 A CB . 18922 1 72 . 1 1 10 10 ALA N N 15 130.103 . . . . . . . 10 A N . 18922 1 73 . 1 1 11 11 LEU H H 1 7.916 . . . . . . . 11 L HN . 18922 1 74 . 1 1 11 11 LEU HA H 1 4.233 . . . . . . . 11 L HA . 18922 1 75 . 1 1 11 11 LEU HB2 H 1 1.849 . . . . . . . 11 L HB1 . 18922 1 76 . 1 1 11 11 LEU HB3 H 1 1.678 . . . . . . . 11 L HB2 . 18922 1 77 . 1 1 11 11 LEU C C 13 175.190 . . . . . . . 11 L C . 18922 1 78 . 1 1 11 11 LEU CA C 13 56.983 . . . . . . . 11 L CA . 18922 1 79 . 1 1 11 11 LEU CB C 13 40.190 . . . . . . . 11 L CB . 18922 1 80 . 1 1 11 11 LEU N N 15 118.014 . . . . . . . 11 L N . 18922 1 81 . 1 1 12 12 LEU H H 1 7.736 . . . . . . . 12 L HN . 18922 1 82 . 1 1 12 12 LEU HA H 1 4.241 . . . . . . . 12 L HA . 18922 1 83 . 1 1 12 12 LEU HB2 H 1 1.628 . . . . . . . 12 L HB1 . 18922 1 84 . 1 1 12 12 LEU HB3 H 1 1.628 . . . . . . . 12 L HB2 . 18922 1 85 . 1 1 12 12 LEU C C 13 180.280 . . . . . . . 12 L C . 18922 1 86 . 1 1 12 12 LEU CA C 13 56.904 . . . . . . . 12 L CA . 18922 1 87 . 1 1 12 12 LEU CB C 13 39.878 . . . . . . . 12 L CB . 18922 1 88 . 1 1 12 12 LEU N N 15 123.588 . . . . . . . 12 L N . 18922 1 89 . 1 1 13 13 LEU H H 1 8.870 . . . . . . . 13 L HN . 18922 1 90 . 1 1 13 13 LEU HA H 1 3.831 . . . . . . . 13 L HA . 18922 1 91 . 1 1 13 13 LEU HB2 H 1 1.879 . . . . . . . 13 L HB1 . 18922 1 92 . 1 1 13 13 LEU HB3 H 1 1.406 . . . . . . . 13 L HB2 . 18922 1 93 . 1 1 13 13 LEU C C 13 178.750 . . . . . . . 13 L C . 18922 1 94 . 1 1 13 13 LEU CA C 13 58.232 . . . . . . . 13 L CA . 18922 1 95 . 1 1 13 13 LEU CB C 13 40.034 . . . . . . . 13 L CB . 18922 1 96 . 1 1 13 13 LEU N N 15 119.483 . . . . . . . 13 L N . 18922 1 97 . 1 1 14 14 GLN H H 1 7.538 . . . . . . . 14 Q HN . 18922 1 98 . 1 1 14 14 GLN HA H 1 4.052 . . . . . . . 14 Q HA . 18922 1 99 . 1 1 14 14 GLN HB2 H 1 2.211 . . . . . . . 14 Q HB1 . 18922 1 100 . 1 1 14 14 GLN HB3 H 1 2.211 . . . . . . . 14 Q HB2 . 18922 1 101 . 1 1 14 14 GLN C C 13 174.700 . . . . . . . 14 Q C . 18922 1 102 . 1 1 14 14 GLN CA C 13 58.388 . . . . . . . 14 Q CA . 18922 1 103 . 1 1 14 14 GLN CB C 13 27.381 . . . . . . . 14 Q CB . 18922 1 104 . 1 1 14 14 GLN N N 15 114.419 . . . . . . . 14 Q N . 18922 1 105 . 1 1 15 15 GLY H H 1 7.754 . . . . . . . 15 G HN . 18922 1 106 . 1 1 15 15 GLY HA2 H 1 4.022 . . . . . . . 15 G HA1 . 18922 1 107 . 1 1 15 15 GLY HA3 H 1 4.022 . . . . . . . 15 G HA2 . 18922 1 108 . 1 1 15 15 GLY C C 13 178.830 . . . . . . . 15 G C . 18922 1 109 . 1 1 15 15 GLY CA C 13 46.438 . . . . . . . 15 G CA . 18922 1 110 . 1 1 15 15 GLY N N 15 105.751 . . . . . . . 15 G N . 18922 1 111 . 1 1 16 16 LEU H H 1 8.881 . . . . . . . 16 L HN . 18922 1 112 . 1 1 16 16 LEU HA H 1 4.183 . . . . . . . 16 L HA . 18922 1 113 . 1 1 16 16 LEU HB2 H 1 1.196 . . . . . . . 16 L HB1 . 18922 1 114 . 1 1 16 16 LEU HB3 H 1 2.161 . . . . . . . 16 L HB2 . 18922 1 115 . 1 1 16 16 LEU C C 13 176.960 . . . . . . . 16 L C . 18922 1 116 . 1 1 16 16 LEU CA C 13 57.529 . . . . . . . 16 L CA . 18922 1 117 . 1 1 16 16 LEU CB C 13 41.674 . . . . . . . 16 L CB . 18922 1 118 . 1 1 16 16 LEU N N 15 124.006 . . . . . . . 16 L N . 18922 1 119 . 1 1 17 17 ILE H H 1 8.310 . . . . . . . 17 I HN . 18922 1 120 . 1 1 17 17 ILE HA H 1 3.881 . . . . . . . 17 I HA . 18922 1 121 . 1 1 17 17 ILE HB H 1 1.890 . . . . . . . 17 I HB . 18922 1 122 . 1 1 17 17 ILE C C 13 178.660 . . . . . . . 17 I C . 18922 1 123 . 1 1 17 17 ILE CA C 13 65.340 . . . . . . . 17 I CA . 18922 1 124 . 1 1 17 17 ILE CB C 13 37.144 . . . . . . . 17 I CB . 18922 1 125 . 1 1 17 17 ILE N N 15 119.556 . . . . . . . 17 I N . 18922 1 126 . 1 1 18 18 LEU H H 1 7.575 . . . . . . . 18 L HN . 18922 1 127 . 1 1 18 18 LEU HA H 1 4.203 . . . . . . . 18 L HA . 18922 1 128 . 1 1 18 18 LEU HB2 H 1 1.759 . . . . . . . 18 L HB1 . 18922 1 129 . 1 1 18 18 LEU HB3 H 1 1.940 . . . . . . . 18 L HB2 . 18922 1 130 . 1 1 18 18 LEU C C 13 174.640 . . . . . . . 18 L C . 18922 1 131 . 1 1 18 18 LEU CA C 13 57.451 . . . . . . . 18 L CA . 18922 1 132 . 1 1 18 18 LEU CB C 13 40.659 . . . . . . . 18 L CB . 18922 1 133 . 1 1 18 18 LEU N N 15 117.783 . . . . . . . 18 L N . 18922 1 134 . 1 1 19 19 ALA H H 1 8.242 . . . . . . . 19 A HN . 18922 1 135 . 1 1 19 19 ALA HA H 1 4.253 . . . . . . . 19 A HA . 18922 1 136 . 1 1 19 19 ALA HB1 H 1 1.697 . . . . . . . 19 A HB1 . 18922 1 137 . 1 1 19 19 ALA HB2 H 1 1.697 . . . . . . . 19 A HB1 . 18922 1 138 . 1 1 19 19 ALA HB3 H 1 1.697 . . . . . . . 19 A HB1 . 18922 1 139 . 1 1 19 19 ALA C C 13 180.490 . . . . . . . 19 A C . 18922 1 140 . 1 1 19 19 ALA CA C 13 54.639 . . . . . . . 19 A CA . 18922 1 141 . 1 1 19 19 ALA CB C 13 17.774 . . . . . . . 19 A CB . 18922 1 142 . 1 1 19 19 ALA N N 15 122.492 . . . . . . . 19 A N . 18922 1 143 . 1 1 20 20 MET H H 1 8.680 . . . . . . . 20 M HN . 18922 1 144 . 1 1 20 20 MET HA H 1 4.575 . . . . . . . 20 M HA . 18922 1 145 . 1 1 20 20 MET HB2 H 1 2.885 . . . . . . . 20 M HB1 . 18922 1 146 . 1 1 20 20 MET HB3 H 1 2.483 . . . . . . . 20 M HB2 . 18922 1 147 . 1 1 20 20 MET C C 13 180.930 . . . . . . . 20 M C . 18922 1 148 . 1 1 20 20 MET CA C 13 56.983 . . . . . . . 20 M CA . 18922 1 149 . 1 1 20 20 MET CB C 13 33.083 . . . . . . . 20 M CB . 18922 1 150 . 1 1 20 20 MET N N 15 117.536 . . . . . . . 20 M N . 18922 1 151 . 1 1 21 21 GLN H H 1 8.545 . . . . . . . 21 Q HN . 18922 1 152 . 1 1 21 21 GLN HA H 1 4.766 . . . . . . . 21 Q HA . 18922 1 153 . 1 1 21 21 GLN HB2 H 1 2.453 . . . . . . . 21 Q HB1 . 18922 1 154 . 1 1 21 21 GLN HB3 H 1 1.831 . . . . . . . 21 Q HB2 . 18922 1 155 . 1 1 21 21 GLN C C 13 179.780 . . . . . . . 21 Q C . 18922 1 156 . 1 1 21 21 GLN CA C 13 58.232 . . . . . . . 21 Q CA . 18922 1 157 . 1 1 21 21 GLN CB C 13 26.678 . . . . . . . 21 Q CB . 18922 1 158 . 1 1 21 21 GLN N N 15 119.515 . . . . . . . 21 Q N . 18922 1 159 . 1 1 22 22 SER H H 1 8.302 . . . . . . . 22 S HN . 18922 1 160 . 1 1 22 22 SER HA H 1 4.344 . . . . . . . 22 S HA . 18922 1 161 . 1 1 22 22 SER HB2 H 1 4.163 . . . . . . . 22 S HB2 . 18922 1 162 . 1 1 22 22 SER C C 13 181.710 . . . . . . . 22 S C . 18922 1 163 . 1 1 22 22 SER CA C 13 60.966 . . . . . . . 22 S CA . 18922 1 164 . 1 1 22 22 SER CB C 13 62.294 . . . . . . . 22 S CB . 18922 1 165 . 1 1 22 22 SER N N 15 117.245 . . . . . . . 22 S N . 18922 1 166 . 1 1 23 23 GLU H H 1 7.236 . . . . . . . 23 E HN . 18922 1 167 . 1 1 23 23 GLU HA H 1 4.163 . . . . . . . 23 E HA . 18922 1 168 . 1 1 23 23 GLU HB2 H 1 1.990 . . . . . . . 23 E HB2 . 18922 1 169 . 1 1 23 23 GLU C C 13 175.630 . . . . . . . 23 E C . 18922 1 170 . 1 1 23 23 GLU CA C 13 55.264 . . . . . . . 23 E CA . 18922 1 171 . 1 1 23 23 GLU CB C 13 29.568 . . . . . . . 23 E CB . 18922 1 172 . 1 1 23 23 GLU N N 15 118.787 . . . . . . . 23 E N . 18922 1 173 . 1 1 24 24 GLY H H 1 7.603 . . . . . . . 24 G HN . 18922 1 174 . 1 1 24 24 GLY HA2 H 1 3.660 . . . . . . . 24 G HA1 . 18922 1 175 . 1 1 24 24 GLY HA3 H 1 4.193 . . . . . . . 24 G HA2 . 18922 1 176 . 1 1 24 24 GLY C C 13 175.710 . . . . . . . 24 G C . 18922 1 177 . 1 1 24 24 GLY CA C 13 44.095 . . . . . . . 24 G CA . 18922 1 178 . 1 1 24 24 GLY N N 15 104.736 . . . . . . . 24 G N . 18922 1 179 . 1 1 25 25 TYR H H 1 7.429 . . . . . . . 25 Y HN . 18922 1 180 . 1 1 25 25 TYR HA H 1 4.947 . . . . . . . 25 Y HA . 18922 1 181 . 1 1 25 25 TYR HB2 H 1 3.127 . . . . . . . 25 Y HB2 . 18922 1 182 . 1 1 25 25 TYR C C 13 174.180 . . . . . . . 25 Y C . 18922 1 183 . 1 1 25 25 TYR CA C 13 55.264 . . . . . . . 25 Y CA . 18922 1 184 . 1 1 25 25 TYR CB C 13 37.850 . . . . . . . 25 Y CB . 18922 1 185 . 1 1 25 25 TYR N N 15 119.526 . . . . . . . 25 Y N . 18922 1 186 . 1 1 26 26 VAL H H 1 8.277 . . . . . . . 26 V HN . 18922 1 187 . 1 1 26 26 VAL HA H 1 4.273 . . . . . . . 26 V HA . 18922 1 188 . 1 1 26 26 VAL HB H 1 2.060 . . . . . . . 26 V HB . 18922 1 189 . 1 1 26 26 VAL C C 13 176.240 . . . . . . . 26 V C . 18922 1 190 . 1 1 26 26 VAL CA C 13 62.372 . . . . . . . 26 V CA . 18922 1 191 . 1 1 26 26 VAL CB C 13 31.052 . . . . . . . 26 V CB . 18922 1 192 . 1 1 26 26 VAL N N 15 122.060 . . . . . . . 26 V N . 18922 1 193 . 1 1 27 27 CYS H H 1 8.935 . . . . . . . 27 C HN . 18922 1 194 . 1 1 27 27 CYS HA H 1 7.065 . . . . . . . 27 C HA . 18922 1 195 . 1 1 27 27 CYS HB2 H 1 2.785 . . . . . . . 27 C HB1 . 18922 1 196 . 1 1 27 27 CYS HB3 H 1 2.423 . . . . . . . 27 C HB2 . 18922 1 197 . 1 1 27 27 CYS C C 13 175.500 . . . . . . . 27 C C . 18922 1 198 . 1 1 27 27 CYS CA C 13 56.358 . . . . . . . 27 C CA . 18922 1 199 . 1 1 27 27 CYS CB C 13 29.724 . . . . . . . 27 C CB . 18922 1 200 . 1 1 27 27 CYS N N 15 127.280 . . . . . . . 27 C N . 18922 1 201 . 1 1 28 28 ASP H H 1 8.691 . . . . . . . 28 D HN . 18922 1 202 . 1 1 28 28 ASP HA H 1 5.209 . . . . . . . 28 D HA . 18922 1 203 . 1 1 28 28 ASP HB2 H 1 2.694 . . . . . . . 28 D HB2 . 18922 1 204 . 1 1 28 28 ASP C C 13 172.500 . . . . . . . 28 D C . 18922 1 205 . 1 1 28 28 ASP CA C 13 52.374 . . . . . . . 28 D CA . 18922 1 206 . 1 1 28 28 ASP CB C 13 42.611 . . . . . . . 28 D CB . 18922 1 207 . 1 1 28 28 ASP N N 15 126.783 . . . . . . . 28 D N . 18922 1 208 . 1 1 29 29 GLY H H 1 8.617 . . . . . . . 29 G HN . 18922 1 209 . 1 1 29 29 GLY HA2 H 1 3.448 . . . . . . . 29 G HA1 . 18922 1 210 . 1 1 29 29 GLY HA3 H 1 5.621 . . . . . . . 29 G HA2 . 18922 1 211 . 1 1 29 29 GLY C C 13 174.180 . . . . . . . 29 G C . 18922 1 212 . 1 1 29 29 GLY CA C 13 44.642 . . . . . . . 29 G CA . 18922 1 213 . 1 1 29 29 GLY N N 15 107.348 . . . . . . . 29 G N . 18922 1 214 . 1 1 30 30 VAL H H 1 9.068 . . . . . . . 30 V HN . 18922 1 215 . 1 1 30 30 VAL HA H 1 4.836 . . . . . . . 30 V HA . 18922 1 216 . 1 1 30 30 VAL HB H 1 2.242 . . . . . . . 30 V HB . 18922 1 217 . 1 1 30 30 VAL C C 13 172.620 . . . . . . . 30 V C . 18922 1 218 . 1 1 30 30 VAL CA C 13 58.623 . . . . . . . 30 V CA . 18922 1 219 . 1 1 30 30 VAL CB C 13 34.879 . . . . . . . 30 V CB . 18922 1 220 . 1 1 30 30 VAL N N 15 117.820 . . . . . . . 30 V N . 18922 1 221 . 1 1 31 31 SER H H 1 8.234 . . . . . . . 31 S HN . 18922 1 222 . 1 1 31 31 SER HA H 1 4.726 . . . . . . . 31 S HA . 18922 1 223 . 1 1 31 31 SER HB2 H 1 4.002 . . . . . . . 31 S HB1 . 18922 1 224 . 1 1 31 31 SER HB3 H 1 4.002 . . . . . . . 31 S HB2 . 18922 1 225 . 1 1 31 31 SER C C 13 174.240 . . . . . . . 31 S C . 18922 1 226 . 1 1 31 31 SER CA C 13 58.154 . . . . . . . 31 S CA . 18922 1 227 . 1 1 31 31 SER CB C 13 65.574 . . . . . . . 31 S CB . 18922 1 228 . 1 1 31 31 SER N N 15 111.338 . . . . . . . 31 S N . 18922 1 229 . 1 1 32 32 THR H H 1 6.928 . . . . . . . 32 T HN . 18922 1 230 . 1 1 32 32 THR HA H 1 4.625 . . . . . . . 32 T HA . 18922 1 231 . 1 1 32 32 THR C C 13 172.390 . . . . . . . 32 T C . 18922 1 232 . 1 1 32 32 THR CA C 13 58.232 . . . . . . . 32 T CA . 18922 1 233 . 1 1 32 32 THR CB C 13 71.588 . . . . . . . 32 T CB . 18922 1 234 . 1 1 32 32 THR N N 15 103.585 . . . . . . . 32 T N . 18922 1 235 . 1 1 33 33 ALA H H 1 10.553 . . . . . . . 33 A HN . 18922 1 236 . 1 1 33 33 ALA HA H 1 3.479 . . . . . . . 33 A HA . 18922 1 237 . 1 1 33 33 ALA HB1 H 1 1.266 . . . . . . . 33 A HB1 . 18922 1 238 . 1 1 33 33 ALA HB2 H 1 1.266 . . . . . . . 33 A HB1 . 18922 1 239 . 1 1 33 33 ALA HB3 H 1 1.266 . . . . . . . 33 A HB1 . 18922 1 240 . 1 1 33 33 ALA C C 13 173.840 . . . . . . . 33 A C . 18922 1 241 . 1 1 33 33 ALA CA C 13 54.249 . . . . . . . 33 A CA . 18922 1 242 . 1 1 33 33 ALA CB C 13 17.071 . . . . . . . 33 A CB . 18922 1 243 . 1 1 33 33 ALA N N 15 128.145 . . . . . . . 33 A N . 18922 1 244 . 1 1 34 34 HIS H H 1 9.582 . . . . . . . 34 H HN . 18922 1 245 . 1 1 34 34 HIS HA H 1 4.313 . . . . . . . 34 H HA . 18922 1 246 . 1 1 34 34 HIS HB2 H 1 3.056 . . . . . . . 34 H HB1 . 18922 1 247 . 1 1 34 34 HIS HB3 H 1 3.056 . . . . . . . 34 H HB2 . 18922 1 248 . 1 1 34 34 HIS C C 13 180.760 . . . . . . . 34 H C . 18922 1 249 . 1 1 34 34 HIS CA C 13 59.091 . . . . . . . 34 H CA . 18922 1 250 . 1 1 34 34 HIS CB C 13 27.459 . . . . . . . 34 H CB . 18922 1 251 . 1 1 34 34 HIS N N 15 119.640 . . . . . . . 34 H N . 18922 1 252 . 1 1 35 35 GLU H H 1 7.851 . . . . . . . 35 E HN . 18922 1 253 . 1 1 35 35 GLU HA H 1 3.911 . . . . . . . 35 E HA . 18922 1 254 . 1 1 35 35 GLU HB2 H 1 2.060 . . . . . . . 35 E HB1 . 18922 1 255 . 1 1 35 35 GLU HB3 H 1 2.060 . . . . . . . 35 E HB2 . 18922 1 256 . 1 1 35 35 GLU C C 13 178.250 . . . . . . . 35 E C . 18922 1 257 . 1 1 35 35 GLU CA C 13 58.779 . . . . . . . 35 E CA . 18922 1 258 . 1 1 35 35 GLU CB C 13 29.177 . . . . . . . 35 E CB . 18922 1 259 . 1 1 35 35 GLU N N 15 116.846 . . . . . . . 35 E N . 18922 1 260 . 1 1 36 36 ALA H H 1 7.895 . . . . . . . 36 A HN . 18922 1 261 . 1 1 36 36 ALA HA H 1 3.891 . . . . . . . 36 A HA . 18922 1 262 . 1 1 36 36 ALA HB1 H 1 1.316 . . . . . . . 36 A HB1 . 18922 1 263 . 1 1 36 36 ALA HB2 H 1 1.316 . . . . . . . 36 A HB1 . 18922 1 264 . 1 1 36 36 ALA HB3 H 1 1.316 . . . . . . . 36 A HB1 . 18922 1 265 . 1 1 36 36 ALA C C 13 179.890 . . . . . . . 36 A C . 18922 1 266 . 1 1 36 36 ALA CA C 13 55.030 . . . . . . . 36 A CA . 18922 1 267 . 1 1 36 36 ALA CB C 13 17.696 . . . . . . . 36 A CB . 18922 1 268 . 1 1 36 36 ALA N N 15 123.116 . . . . . . . 36 A N . 18922 1 269 . 1 1 37 37 ALA H H 1 8.484 . . . . . . . 37 A HN . 18922 1 270 . 1 1 37 37 ALA HA H 1 4.213 . . . . . . . 37 A HA . 18922 1 271 . 1 1 37 37 ALA HB1 H 1 1.708 . . . . . . . 37 A HB1 . 18922 1 272 . 1 1 37 37 ALA HB2 H 1 1.708 . . . . . . . 37 A HB1 . 18922 1 273 . 1 1 37 37 ALA HB3 H 1 1.708 . . . . . . . 37 A HB1 . 18922 1 274 . 1 1 37 37 ALA C C 13 178.450 . . . . . . . 37 A C . 18922 1 275 . 1 1 37 37 ALA CA C 13 55.030 . . . . . . . 37 A CA . 18922 1 276 . 1 1 37 37 ALA CB C 13 17.227 . . . . . . . 37 A CB . 18922 1 277 . 1 1 37 37 ALA N N 15 120.097 . . . . . . . 37 A N . 18922 1 278 . 1 1 38 38 LEU H H 1 7.522 . . . . . . . 38 L HN . 18922 1 279 . 1 1 38 38 LEU HA H 1 4.163 . . . . . . . 38 L HA . 18922 1 280 . 1 1 38 38 LEU HB2 H 1 1.859 . . . . . . . 38 L HB1 . 18922 1 281 . 1 1 38 38 LEU HB3 H 1 1.988 . . . . . . . 38 L HB2 . 18922 1 282 . 1 1 38 38 LEU C C 13 181.000 . . . . . . . 38 L C . 18922 1 283 . 1 1 38 38 LEU CA C 13 57.450 . . . . . . . 38 L CA . 18922 1 284 . 1 1 38 38 LEU CB C 13 40.424 . . . . . . . 38 L CB . 18922 1 285 . 1 1 38 38 LEU N N 15 118.153 . . . . . . . 38 L N . 18922 1 286 . 1 1 39 39 SER H H 1 8.285 . . . . . . . 39 S HN . 18922 1 287 . 1 1 39 39 SER HA H 1 4.313 . . . . . . . 39 S HA . 18922 1 288 . 1 1 39 39 SER HB2 H 1 4.082 . . . . . . . 39 S HB1 . 18922 1 289 . 1 1 39 39 SER HB3 H 1 4.082 . . . . . . . 39 S HB2 . 18922 1 290 . 1 1 39 39 SER C C 13 180.740 . . . . . . . 39 S C . 18922 1 291 . 1 1 39 39 SER CA C 13 63.387 . . . . . . . 39 S CA . 18922 1 292 . 1 1 39 39 SER CB C 13 61.825 . . . . . . . 39 S CB . 18922 1 293 . 1 1 39 39 SER N N 15 118.181 . . . . . . . 39 S N . 18922 1 294 . 1 1 40 40 LEU H H 1 8.611 . . . . . . . 40 L HN . 18922 1 295 . 1 1 40 40 LEU HA H 1 4.414 . . . . . . . 40 L HA . 18922 1 296 . 1 1 40 40 LEU HB2 H 1 2.000 . . . . . . . 40 L HB1 . 18922 1 297 . 1 1 40 40 LEU HB3 H 1 1.668 . . . . . . . 40 L HB2 . 18922 1 298 . 1 1 40 40 LEU C C 13 177.100 . . . . . . . 40 L C . 18922 1 299 . 1 1 40 40 LEU CA C 13 57.139 . . . . . . . 40 L CA . 18922 1 300 . 1 1 40 40 LEU CB C 13 41.049 . . . . . . . 40 L CB . 18922 1 301 . 1 1 40 40 LEU N N 15 121.648 . . . . . . . 40 L N . 18922 1 302 . 1 1 41 41 ALA H H 1 7.356 . . . . . . . 41 A HN . 18922 1 303 . 1 1 41 41 ALA HA H 1 4.390 . . . . . . . 41 A HA . 18922 1 304 . 1 1 41 41 ALA HB1 H 1 1.608 . . . . . . . 41 A HB1 . 18922 1 305 . 1 1 41 41 ALA HB2 H 1 1.608 . . . . . . . 41 A HB1 . 18922 1 306 . 1 1 41 41 ALA HB3 H 1 1.608 . . . . . . . 41 A HB1 . 18922 1 307 . 1 1 41 41 ALA C C 13 177.460 . . . . . . . 41 A C . 18922 1 308 . 1 1 41 41 ALA CA C 13 53.155 . . . . . . . 41 A CA . 18922 1 309 . 1 1 41 41 ALA CB C 13 17.770 . . . . . . . 41 A CB . 18922 1 310 . 1 1 41 41 ALA N N 15 117.166 . . . . . . . 41 A N . 18922 1 311 . 1 1 42 42 SER H H 1 7.404 . . . . . . . 42 S HN . 18922 1 312 . 1 1 42 42 SER HA H 1 4.394 . . . . . . . 42 S HA . 18922 1 313 . 1 1 42 42 SER HB2 H 1 1.608 . . . . . . . 42 S HB1 . 18922 1 314 . 1 1 42 42 SER HB3 H 1 1.608 . . . . . . . 42 S HB2 . 18922 1 315 . 1 1 42 42 SER C C 13 178.890 . . . . . . . 42 S C . 18922 1 316 . 1 1 42 42 SER CA C 13 58.700 . . . . . . . 42 S CA . 18922 1 317 . 1 1 42 42 SER CB C 13 64.560 . . . . . . . 42 S CB . 18922 1 318 . 1 1 42 42 SER N N 15 109.773 . . . . . . . 42 S N . 18922 1 319 . 1 1 43 43 ASN H H 1 7.847 . . . . . . . 43 N HN . 18922 1 320 . 1 1 43 43 ASN C C 13 173.080 . . . . . . . 43 N C . 18922 1 321 . 1 1 43 43 ASN CA C 13 51.906 . . . . . . . 43 N CA . 18922 1 322 . 1 1 43 43 ASN CB C 13 42.220 . . . . . . . 43 N CB . 18922 1 323 . 1 1 43 43 ASN N N 15 118.960 . . . . . . . 43 N N . 18922 1 324 . 1 1 44 44 HIS H H 1 7.283 . . . . . . . 44 H HN . 18922 1 325 . 1 1 44 44 HIS HA H 1 4.786 . . . . . . . 44 H HA . 18922 1 326 . 1 1 44 44 HIS HB2 H 1 2.925 . . . . . . . 44 H HB1 . 18922 1 327 . 1 1 44 44 HIS HB3 H 1 2.925 . . . . . . . 44 H HB2 . 18922 1 328 . 1 1 44 44 HIS CA C 13 54.093 . . . . . . . 44 H CA . 18922 1 329 . 1 1 44 44 HIS CB C 13 28.470 . . . . . . . 44 H CB . 18922 1 330 . 1 1 44 44 HIS N N 15 126.611 . . . . . . . 44 H N . 18922 1 331 . 1 1 45 45 TYR H H 1 8.117 . . . . . . . 45 Y HN . 18922 1 332 . 1 1 45 45 TYR HA H 1 4.484 . . . . . . . 45 Y HA . 18922 1 333 . 1 1 45 45 TYR HB2 H 1 2.352 . . . . . . . 45 Y HB1 . 18922 1 334 . 1 1 45 45 TYR HB3 H 1 2.352 . . . . . . . 45 Y HB2 . 18922 1 335 . 1 1 45 45 TYR C C 13 174.470 . . . . . . . 45 Y C . 18922 1 336 . 1 1 45 45 TYR CA C 13 57.998 . . . . . . . 45 Y CA . 18922 1 337 . 1 1 45 45 TYR CB C 13 39.487 . . . . . . . 45 Y CB . 18922 1 338 . 1 1 45 45 TYR N N 15 122.944 . . . . . . . 45 Y N . 18922 1 339 . 1 1 46 46 SER H H 1 9.440 . . . . . . . 46 S HN . 18922 1 340 . 1 1 46 46 SER HA H 1 4.504 . . . . . . . 46 S HA . 18922 1 341 . 1 1 46 46 SER HB2 H 1 3.992 . . . . . . . 46 S HB1 . 18922 1 342 . 1 1 46 46 SER HB3 H 1 3.629 . . . . . . . 46 S HB2 . 18922 1 343 . 1 1 46 46 SER C C 13 175.460 . . . . . . . 46 S C . 18922 1 344 . 1 1 46 46 SER CA C 13 59.870 . . . . . . . 46 S CA . 18922 1 345 . 1 1 46 46 SER CB C 13 63.309 . . . . . . . 46 S CB . 18922 1 346 . 1 1 46 46 SER N N 15 116.537 . . . . . . . 46 S N . 18922 1 347 . 1 1 47 47 LEU H H 1 7.201 . . . . . . . 47 L HN . 18922 1 348 . 1 1 47 47 LEU HA H 1 4.585 . . . . . . . 47 L HA . 18922 1 349 . 1 1 47 47 LEU HB2 H 1 1.779 . . . . . . . 47 L HB1 . 18922 1 350 . 1 1 47 47 LEU HB3 H 1 1.125 . . . . . . . 47 L HB2 . 18922 1 351 . 1 1 47 47 LEU C C 13 172.330 . . . . . . . 47 L C . 18922 1 352 . 1 1 47 47 LEU CA C 13 55.030 . . . . . . . 47 L CA . 18922 1 353 . 1 1 47 47 LEU CB C 13 43.470 . . . . . . . 47 L CB . 18922 1 354 . 1 1 47 47 LEU N N 15 117.003 . . . . . . . 47 L N . 18922 1 355 . 1 1 48 48 ILE H H 1 8.208 . . . . . . . 48 I HN . 18922 1 356 . 1 1 48 48 ILE HA H 1 5.098 . . . . . . . 48 I HA . 18922 1 357 . 1 1 48 48 ILE HB H 1 1.839 . . . . . . . 48 I HB . 18922 1 358 . 1 1 48 48 ILE C C 13 172.900 . . . . . . . 48 I C . 18922 1 359 . 1 1 48 48 ILE CA C 13 59.169 . . . . . . . 48 I CA . 18922 1 360 . 1 1 48 48 ILE CB C 13 40.346 . . . . . . . 48 I CB . 18922 1 361 . 1 1 48 48 ILE N N 15 125.134 . . . . . . . 48 I N . 18922 1 362 . 1 1 49 49 VAL H H 1 9.021 . . . . . . . 49 V HN . 18922 1 363 . 1 1 49 49 VAL HA H 1 4.846 . . . . . . . 49 V HA . 18922 1 364 . 1 1 49 49 VAL HB H 1 1.950 . . . . . . . 49 V HB . 18922 1 365 . 1 1 49 49 VAL C C 13 173.710 . . . . . . . 49 V C . 18922 1 366 . 1 1 49 49 VAL CA C 13 60.888 . . . . . . . 49 V CA . 18922 1 367 . 1 1 49 49 VAL CB C 13 31.599 . . . . . . . 49 V CB . 18922 1 368 . 1 1 49 49 VAL N N 15 129.331 . . . . . . . 49 V N . 18922 1 369 . 1 1 50 50 LEU H H 1 8.760 . . . . . . . 50 L HN . 18922 1 370 . 1 1 50 50 LEU HA H 1 4.756 . . . . . . . 50 L HA . 18922 1 371 . 1 1 50 50 LEU HB2 H 1 1.618 . . . . . . . 50 L HB1 . 18922 1 372 . 1 1 50 50 LEU HB3 H 1 1.618 . . . . . . . 50 L HB2 . 18922 1 373 . 1 1 50 50 LEU C C 13 173.250 . . . . . . . 50 L C . 18922 1 374 . 1 1 50 50 LEU CA C 13 53.390 . . . . . . . 50 L CA . 18922 1 375 . 1 1 50 50 LEU CB C 13 46.830 . . . . . . . 50 L CB . 18922 1 376 . 1 1 50 50 LEU N N 15 129.333 . . . . . . . 50 L N . 18922 1 377 . 1 1 51 51 ASP H H 1 8.034 . . . . . . . 51 D HN . 18922 1 378 . 1 1 51 51 ASP HA H 1 5.591 . . . . . . . 51 D HA . 18922 1 379 . 1 1 51 51 ASP HB2 H 1 2.775 . . . . . . . 51 D HB2 . 18922 1 380 . 1 1 51 51 ASP C C 13 173.630 . . . . . . . 51 D C . 18922 1 381 . 1 1 51 51 ASP CA C 13 50.062 . . . . . . . 51 D CA . 18922 1 382 . 1 1 51 51 ASP CB C 13 42.600 . . . . . . . 51 D CB . 18922 1 383 . 1 1 51 51 ASP N N 15 128.024 . . . . . . . 51 D N . 18922 1 384 . 1 1 52 52 LEU H H 1 6.480 . . . . . . . 52 L HN . 18922 1 385 . 1 1 52 52 LEU HA H 1 4.474 . . . . . . . 52 L HA . 18922 1 386 . 1 1 52 52 LEU HB2 H 1 1.457 . . . . . . . 52 L HB1 . 18922 1 387 . 1 1 52 52 LEU HB3 H 1 1.457 . . . . . . . 52 L HB2 . 18922 1 388 . 1 1 52 52 LEU C C 13 174.830 . . . . . . . 52 L C . 18922 1 389 . 1 1 52 52 LEU CA C 13 55.890 . . . . . . . 52 L CA . 18922 1 390 . 1 1 52 52 LEU CB C 13 40.503 . . . . . . . 52 L CB . 18922 1 391 . 1 1 52 52 LEU N N 15 115.722 . . . . . . . 52 L N . 18922 1 392 . 1 1 53 53 GLY H H 1 8.309 . . . . . . . 53 G HN . 18922 1 393 . 1 1 53 53 GLY HA2 H 1 3.649 . . . . . . . 53 G HA1 . 18922 1 394 . 1 1 53 53 GLY HA3 H 1 4.334 . . . . . . . 53 G HA2 . 18922 1 395 . 1 1 53 53 GLY C C 13 178.370 . . . . . . . 53 G C . 18922 1 396 . 1 1 53 53 GLY CA C 13 45.892 . . . . . . . 53 G CA . 18922 1 397 . 1 1 53 53 GLY N N 15 106.466 . . . . . . . 53 G N . 18922 1 398 . 1 1 54 54 LEU H H 1 7.280 . . . . . . . 54 L HN . 18922 1 399 . 1 1 54 54 LEU C C 13 171.420 . . . . . . . 54 L C . 18922 1 400 . 1 1 54 54 LEU CA C 13 51.670 . . . . . . . 54 L CA . 18922 1 401 . 1 1 54 54 LEU CB C 13 41.670 . . . . . . . 54 L CB . 18922 1 402 . 1 1 54 54 LEU N N 15 130.883 . . . . . . . 54 L N . 18922 1 403 . 1 1 55 55 PRO HA H 1 4.356 . . . . . . . 55 P HA . 18922 1 404 . 1 1 55 55 PRO HB2 H 1 2.483 . . . . . . . 55 P HB1 . 18922 1 405 . 1 1 55 55 PRO HB3 H 1 1.980 . . . . . . . 55 P HB2 . 18922 1 406 . 1 1 55 55 PRO CA C 13 64.560 . . . . . . . 55 P CA . 18922 1 407 . 1 1 55 55 PRO CB C 13 31.130 . . . . . . . 55 P CB . 18922 1 408 . 1 1 56 56 ASP H H 1 9.270 . . . . . . . 56 D HN . 18922 1 409 . 1 1 56 56 ASP HA H 1 4.655 . . . . . . . 56 D HA . 18922 1 410 . 1 1 56 56 ASP HB2 H 1 2.825 . . . . . . . 56 D HB2 . 18922 1 411 . 1 1 56 56 ASP C C 13 177.360 . . . . . . . 56 D C . 18922 1 412 . 1 1 56 56 ASP CA C 13 53.390 . . . . . . . 56 D CA . 18922 1 413 . 1 1 56 56 ASP CB C 13 39.640 . . . . . . . 56 D CB . 18922 1 414 . 1 1 56 56 ASP N N 15 112.254 . . . . . . . 56 D N . 18922 1 415 . 1 1 57 57 GLU HA H 1 4.344 . . . . . . . 57 E HA . 18922 1 416 . 1 1 57 57 GLU HB2 H 1 2.020 . . . . . . . 57 E HB1 . 18922 1 417 . 1 1 57 57 GLU HB3 H 1 1.809 . . . . . . . 57 E HB2 . 18922 1 418 . 1 1 57 57 GLU C C 13 175.460 . . . . . . . 57 E C . 18922 1 419 . 1 1 57 57 GLU CA C 13 54.796 . . . . . . . 57 E CA . 18922 1 420 . 1 1 57 57 GLU CB C 13 31.677 . . . . . . . 57 E CB . 18922 1 421 . 1 1 57 57 GLU N N 15 121.646 . . . . . . . 57 E N . 18922 1 422 . 1 1 58 58 ASP H H 1 8.332 . . . . . . . 58 D HN . 18922 1 423 . 1 1 58 58 ASP HA H 1 4.726 . . . . . . . 58 D HA . 18922 1 424 . 1 1 58 58 ASP HB2 H 1 2.422 . . . . . . . 58 D HB1 . 18922 1 425 . 1 1 58 58 ASP HB3 H 1 2.704 . . . . . . . 58 D HB2 . 18922 1 426 . 1 1 58 58 ASP C C 13 172.750 . . . . . . . 58 D C . 18922 1 427 . 1 1 58 58 ASP CA C 13 54.796 . . . . . . . 58 D CA . 18922 1 428 . 1 1 58 58 ASP CB C 13 43.314 . . . . . . . 58 D CB . 18922 1 429 . 1 1 58 58 ASP N N 15 121.527 . . . . . . . 58 D N . 18922 1 430 . 1 1 59 59 GLY H H 1 10.366 . . . . . . . 59 G HN . 18922 1 431 . 1 1 59 59 GLY HA2 H 1 2.423 . . . . . . . 59 G HA1 . 18922 1 432 . 1 1 59 59 GLY HA3 H 1 4.464 . . . . . . . 59 G HA2 . 18922 1 433 . 1 1 59 59 GLY C C 13 179.174 . . . . . . . 59 G C . 18922 1 434 . 1 1 59 59 GLY CA C 13 47.300 . . . . . . . 59 G CA . 18922 1 435 . 1 1 59 59 GLY N N 15 114.922 . . . . . . . 59 G N . 18922 1 436 . 1 1 60 60 LEU H H 1 9.041 . . . . . . . 60 L HN . 18922 1 437 . 1 1 60 60 LEU HA H 1 4.273 . . . . . . . 60 L HA . 18922 1 438 . 1 1 60 60 LEU HB2 H 1 1.648 . . . . . . . 60 L HB1 . 18922 1 439 . 1 1 60 60 LEU HB3 H 1 1.648 . . . . . . . 60 L HB2 . 18922 1 440 . 1 1 60 60 LEU C C 13 180.580 . . . . . . . 60 L C . 18922 1 441 . 1 1 60 60 LEU CA C 13 57.370 . . . . . . . 60 L CA . 18922 1 442 . 1 1 60 60 LEU CB C 13 39.570 . . . . . . . 60 L CB . 18922 1 443 . 1 1 60 60 LEU N N 15 119.931 . . . . . . . 60 L N . 18922 1 444 . 1 1 61 61 HIS H H 1 7.509 . . . . . . . 61 H HN . 18922 1 445 . 1 1 61 61 HIS HA H 1 4.494 . . . . . . . 61 H HA . 18922 1 446 . 1 1 61 61 HIS HB2 H 1 3.459 . . . . . . . 61 H HB1 . 18922 1 447 . 1 1 61 61 HIS HB3 H 1 3.459 . . . . . . . 61 H HB2 . 18922 1 448 . 1 1 61 61 HIS C C 13 179.800 . . . . . . . 61 H C . 18922 1 449 . 1 1 61 61 HIS CA C 13 56.360 . . . . . . . 61 H CA . 18922 1 450 . 1 1 61 61 HIS CB C 13 29.100 . . . . . . . 61 H CB . 18922 1 451 . 1 1 61 61 HIS N N 15 120.696 . . . . . . . 61 H N . 18922 1 452 . 1 1 62 62 PHE H H 1 8.061 . . . . . . . 62 F HN . 18922 1 453 . 1 1 62 62 PHE HA H 1 4.253 . . . . . . . 62 F HA . 18922 1 454 . 1 1 62 62 PHE HB2 H 1 3.157 . . . . . . . 62 F HB1 . 18922 1 455 . 1 1 62 62 PHE HB3 H 1 3.157 . . . . . . . 62 F HB2 . 18922 1 456 . 1 1 62 62 PHE C C 13 181.000 . . . . . . . 62 F C . 18922 1 457 . 1 1 62 62 PHE CA C 13 60.580 . . . . . . . 62 F CA . 18922 1 458 . 1 1 62 62 PHE CB C 13 37.770 . . . . . . . 62 F CB . 18922 1 459 . 1 1 62 62 PHE N N 15 121.600 . . . . . . . 62 F N . 18922 1 460 . 1 1 63 63 LEU H H 1 8.595 . . . . . . . 63 L HN . 18922 1 461 . 1 1 63 63 LEU HA H 1 3.760 . . . . . . . 63 L HA . 18922 1 462 . 1 1 63 63 LEU HB2 H 1 2.020 . . . . . . . 63 L HB1 . 18922 1 463 . 1 1 63 63 LEU HB3 H 1 1.627 . . . . . . . 63 L HB2 . 18922 1 464 . 1 1 63 63 LEU C C 13 176.450 . . . . . . . 63 L C . 18922 1 465 . 1 1 63 63 LEU CA C 13 57.220 . . . . . . . 63 L CA . 18922 1 466 . 1 1 63 63 LEU CB C 13 40.660 . . . . . . . 63 L CB . 18922 1 467 . 1 1 63 63 LEU N N 15 120.486 . . . . . . . 63 L N . 18922 1 468 . 1 1 64 64 SER H H 1 7.954 . . . . . . . 64 S HN . 18922 1 469 . 1 1 64 64 SER HA H 1 4.062 . . . . . . . 64 S HA . 18922 1 470 . 1 1 64 64 SER C C 13 177.550 . . . . . . . 64 S C . 18922 1 471 . 1 1 64 64 SER CA C 13 60.650 . . . . . . . 64 S CA . 18922 1 472 . 1 1 64 64 SER CB C 13 62.140 . . . . . . . 64 S CB . 18922 1 473 . 1 1 64 64 SER N N 15 111.688 . . . . . . . 64 S N . 18922 1 474 . 1 1 65 65 ARG H H 1 7.632 . . . . . . . 65 R HN . 18922 1 475 . 1 1 65 65 ARG HA H 1 4.012 . . . . . . . 65 R HA . 18922 1 476 . 1 1 65 65 ARG HB2 H 1 1.859 . . . . . . . 65 R HB1 . 18922 1 477 . 1 1 65 65 ARG HB3 H 1 1.859 . . . . . . . 65 R HB2 . 18922 1 478 . 1 1 65 65 ARG C C 13 174.400 . . . . . . . 65 R C . 18922 1 479 . 1 1 65 65 ARG N N 15 120.566 . . . . . . . 65 R N . 18922 1 480 . 1 1 66 66 MET H H 1 8.133 . . . . . . . 66 M HN . 18922 1 481 . 1 1 66 66 MET HA H 1 4.102 . . . . . . . 66 M HA . 18922 1 482 . 1 1 66 66 MET C C 13 178.050 . . . . . . . 66 M C . 18922 1 483 . 1 1 66 66 MET CA C 13 62.168 . . . . . . . 66 M CA . 18922 1 484 . 1 1 66 66 MET CB C 13 31.235 . . . . . . . 66 M CB . 18922 1 485 . 1 1 66 66 MET N N 15 118.073 . . . . . . . 66 M N . 18922 1 486 . 1 1 67 67 ARG H H 1 8.229 . . . . . . . 67 R HN . 18922 1 487 . 1 1 67 67 ARG HA H 1 4.173 . . . . . . . 67 R HA . 18922 1 488 . 1 1 67 67 ARG HB2 H 1 1.427 . . . . . . . 67 R HB1 . 18922 1 489 . 1 1 67 67 ARG HB3 H 1 1.427 . . . . . . . 67 R HB2 . 18922 1 490 . 1 1 67 67 ARG C C 13 179.270 . . . . . . . 67 R C . 18922 1 491 . 1 1 67 67 ARG CA C 13 57.140 . . . . . . . 67 R CA . 18922 1 492 . 1 1 67 67 ARG CB C 13 28.240 . . . . . . . 67 R CB . 18922 1 493 . 1 1 67 67 ARG N N 15 115.601 . . . . . . . 67 R N . 18922 1 494 . 1 1 68 68 ARG H H 1 8.083 . . . . . . . 68 R HN . 18922 1 495 . 1 1 68 68 ARG HA H 1 4.203 . . . . . . . 68 R HA . 18922 1 496 . 1 1 68 68 ARG HB2 H 1 2.081 . . . . . . . 68 R HB1 . 18922 1 497 . 1 1 68 68 ARG HB3 H 1 2.081 . . . . . . . 68 R HB2 . 18922 1 498 . 1 1 68 68 ARG C C 13 181.020 . . . . . . . 68 R C . 18922 1 499 . 1 1 68 68 ARG CA C 13 58.700 . . . . . . . 68 R CA . 18922 1 500 . 1 1 68 68 ARG CB C 13 28.630 . . . . . . . 68 R CB . 18922 1 501 . 1 1 68 68 ARG N N 15 122.326 . . . . . . . 68 R N . 18922 1 502 . 1 1 69 69 GLU H H 1 7.636 . . . . . . . 69 E HN . 18922 1 503 . 1 1 69 69 GLU HA H 1 4.434 . . . . . . . 69 E HA . 18922 1 504 . 1 1 69 69 GLU HB2 H 1 2.412 . . . . . . . 69 E HB1 . 18922 1 505 . 1 1 69 69 GLU HB3 H 1 1.970 . . . . . . . 69 E HB2 . 18922 1 506 . 1 1 69 69 GLU C C 13 173.480 . . . . . . . 69 E C . 18922 1 507 . 1 1 69 69 GLU CA C 13 55.500 . . . . . . . 69 E CA . 18922 1 508 . 1 1 69 69 GLU CB C 13 27.620 . . . . . . . 69 E CB . 18922 1 509 . 1 1 69 69 GLU N N 15 118.039 . . . . . . . 69 E N . 18922 1 510 . 1 1 70 70 LYS H H 1 7.721 . . . . . . . 70 K HN . 18922 1 511 . 1 1 70 70 LYS HA H 1 3.834 . . . . . . . 70 K HA . 18922 1 512 . 1 1 70 70 LYS HB2 H 1 2.211 . . . . . . . 70 K HB1 . 18922 1 513 . 1 1 70 70 LYS HB3 H 1 2.071 . . . . . . . 70 K HB2 . 18922 1 514 . 1 1 70 70 LYS C C 13 175.020 . . . . . . . 70 K C . 18922 1 515 . 1 1 70 70 LYS CA C 13 56.980 . . . . . . . 70 K CA . 18922 1 516 . 1 1 70 70 LYS CB C 13 27.380 . . . . . . . 70 K CB . 18922 1 517 . 1 1 70 70 LYS N N 15 111.648 . . . . . . . 70 K N . 18922 1 518 . 1 1 71 71 MET H H 1 7.936 . . . . . . . 71 M HN . 18922 1 519 . 1 1 71 71 MET HA H 1 3.831 . . . . . . . 71 M HA . 18922 1 520 . 1 1 71 71 MET HB2 H 1 2.211 . . . . . . . 71 M HB1 . 18922 1 521 . 1 1 71 71 MET HB3 H 1 2.071 . . . . . . . 71 M HB2 . 18922 1 522 . 1 1 71 71 MET C C 13 175.300 . . . . . . . 71 M C . 18922 1 523 . 1 1 71 71 MET CA C 13 56.120 . . . . . . . 71 M CA . 18922 1 524 . 1 1 71 71 MET CB C 13 30.040 . . . . . . . 71 M CB . 18922 1 525 . 1 1 71 71 MET N N 15 119.012 . . . . . . . 71 M N . 18922 1 526 . 1 1 72 72 THR H H 1 8.199 . . . . . . . 72 T HN . 18922 1 527 . 1 1 72 72 THR HA H 1 4.434 . . . . . . . 72 T HA . 18922 1 528 . 1 1 72 72 THR C C 13 181.730 . . . . . . . 72 T C . 18922 1 529 . 1 1 72 72 THR CA C 13 61.750 . . . . . . . 72 T CA . 18922 1 530 . 1 1 72 72 THR CB C 13 68.850 . . . . . . . 72 T CB . 18922 1 531 . 1 1 72 72 THR N N 15 115.535 . . . . . . . 72 T N . 18922 1 532 . 1 1 73 73 GLN H H 1 9.231 . . . . . . . 73 Q HN . 18922 1 533 . 1 1 73 73 GLN C C 13 175.140 . . . . . . . 73 Q C . 18922 1 534 . 1 1 73 73 GLN CA C 13 56.120 . . . . . . . 73 Q CA . 18922 1 535 . 1 1 73 73 GLN CB C 13 25.980 . . . . . . . 73 Q CB . 18922 1 536 . 1 1 73 73 GLN N N 15 125.117 . . . . . . . 73 Q N . 18922 1 537 . 1 1 74 74 PRO HA H 1 4.857 . . . . . . . 74 P HA . 18922 1 538 . 1 1 74 74 PRO HB2 H 1 1.970 . . . . . . . 74 P HB1 . 18922 1 539 . 1 1 74 74 PRO HB3 H 1 1.970 . . . . . . . 74 P HB2 . 18922 1 540 . 1 1 74 74 PRO CA C 13 62.060 . . . . . . . 74 P CA . 18922 1 541 . 1 1 74 74 PRO CB C 13 30.970 . . . . . . . 74 P CB . 18922 1 542 . 1 1 75 75 VAL H H 1 9.044 . . . . . . . 75 V HN . 18922 1 543 . 1 1 75 75 VAL HA H 1 4.967 . . . . . . . 75 V HA . 18922 1 544 . 1 1 75 75 VAL HB H 1 1.749 . . . . . . . 75 V HB . 18922 1 545 . 1 1 75 75 VAL C C 13 175.060 . . . . . . . 75 V C . 18922 1 546 . 1 1 75 75 VAL CA C 13 59.790 . . . . . . . 75 V CA . 18922 1 547 . 1 1 75 75 VAL CB C 13 35.500 . . . . . . . 75 V CB . 18922 1 548 . 1 1 75 75 VAL N N 15 122.024 . . . . . . . 75 V N . 18922 1 549 . 1 1 76 76 LEU H H 1 8.941 . . . . . . . 76 L HN . 18922 1 550 . 1 1 76 76 LEU HA H 1 4.534 . . . . . . . 76 L HA . 18922 1 551 . 1 1 76 76 LEU HB2 H 1 1.598 . . . . . . . 76 L HB1 . 18922 1 552 . 1 1 76 76 LEU HB3 H 1 1.216 . . . . . . . 76 L HB2 . 18922 1 553 . 1 1 76 76 LEU C C 13 174.140 . . . . . . . 76 L C . 18922 1 554 . 1 1 76 76 LEU CA C 13 52.843 . . . . . . . 76 L CA . 18922 1 555 . 1 1 76 76 LEU CB C 13 43.160 . . . . . . . 76 L CB . 18922 1 556 . 1 1 76 76 LEU N N 15 130.916 . . . . . . . 76 L N . 18922 1 557 . 1 1 77 77 ILE H H 1 7.996 . . . . . . . 77 I HN . 18922 1 558 . 1 1 77 77 ILE HA H 1 4.746 . . . . . . . 77 I HA . 18922 1 559 . 1 1 77 77 ILE HB H 1 1.407 . . . . . . . 77 I HB . 18922 1 560 . 1 1 77 77 ILE C C 13 174.900 . . . . . . . 77 I C . 18922 1 561 . 1 1 77 77 ILE CA C 13 60.500 . . . . . . . 77 I CA . 18922 1 562 . 1 1 77 77 ILE CB C 13 36.910 . . . . . . . 77 I CB . 18922 1 563 . 1 1 77 77 ILE N N 15 127.829 . . . . . . . 77 I N . 18922 1 564 . 1 1 78 78 LEU H H 1 7.770 . . . . . . . 78 L HN . 18922 1 565 . 1 1 78 78 LEU HA H 1 5.229 . . . . . . . 78 L HA . 18922 1 566 . 1 1 78 78 LEU HB2 H 1 1.648 . . . . . . . 78 L HB1 . 18922 1 567 . 1 1 78 78 LEU HB3 H 1 1.648 . . . . . . . 78 L HB2 . 18922 1 568 . 1 1 78 78 LEU C C 13 172.750 . . . . . . . 78 L C . 18922 1 569 . 1 1 78 78 LEU CA C 13 52.610 . . . . . . . 78 L CA . 18922 1 570 . 1 1 78 78 LEU CB C 13 43.710 . . . . . . . 78 L CB . 18922 1 571 . 1 1 78 78 LEU N N 15 132.562 . . . . . . . 78 L N . 18922 1 572 . 1 1 79 79 THR H H 1 7.604 . . . . . . . 79 T HN . 18922 1 573 . 1 1 79 79 THR HA H 1 5.259 . . . . . . . 79 T HA . 18922 1 574 . 1 1 79 79 THR HB H 1 3.951 . . . . . . . 79 T HB . 18922 1 575 . 1 1 79 79 THR C C 13 174.510 . . . . . . . 79 T C . 18922 1 576 . 1 1 79 79 THR CA C 13 58.940 . . . . . . . 79 T CA . 18922 1 577 . 1 1 79 79 THR CB C 13 69.320 . . . . . . . 79 T CB . 18922 1 578 . 1 1 79 79 THR N N 15 113.937 . . . . . . . 79 T N . 18922 1 579 . 1 1 80 80 ALA H H 1 8.027 . . . . . . . 80 A HN . 18922 1 580 . 1 1 80 80 ALA HA H 1 4.585 . . . . . . . 80 A HA . 18922 1 581 . 1 1 80 80 ALA HB1 H 1 1.608 . . . . . . . 80 A HB1 . 18922 1 582 . 1 1 80 80 ALA HB2 H 1 1.608 . . . . . . . 80 A HB1 . 18922 1 583 . 1 1 80 80 ALA HB3 H 1 1.608 . . . . . . . 80 A HB1 . 18922 1 584 . 1 1 80 80 ALA C C 13 171.650 . . . . . . . 80 A C . 18922 1 585 . 1 1 80 80 ALA CA C 13 52.300 . . . . . . . 80 A CA . 18922 1 586 . 1 1 80 80 ALA CB C 13 18.240 . . . . . . . 80 A CB . 18922 1 587 . 1 1 80 80 ALA N N 15 128.587 . . . . . . . 80 A N . 18922 1 588 . 1 1 81 81 ARG H H 1 8.775 . . . . . . . 81 R HN . 18922 1 589 . 1 1 81 81 ARG HA H 1 4.404 . . . . . . . 81 R HA . 18922 1 590 . 1 1 81 81 ARG HB2 H 1 2.121 . . . . . . . 81 R HB1 . 18922 1 591 . 1 1 81 81 ARG HB3 H 1 2.121 . . . . . . . 81 R HB2 . 18922 1 592 . 1 1 81 81 ARG C C 13 177.970 . . . . . . . 81 R C . 18922 1 593 . 1 1 81 81 ARG CA C 13 57.690 . . . . . . . 81 R CA . 18922 1 594 . 1 1 81 81 ARG CB C 13 26.520 . . . . . . . 81 R CB . 18922 1 595 . 1 1 81 81 ARG N N 15 119.928 . . . . . . . 81 R N . 18922 1 596 . 1 1 82 82 ASP H H 1 8.339 . . . . . . . 82 D HN . 18922 1 597 . 1 1 82 82 ASP HA H 1 4.897 . . . . . . . 82 D HA . 18922 1 598 . 1 1 82 82 ASP HB2 H 1 3.046 . . . . . . . 82 D HB1 . 18922 1 599 . 1 1 82 82 ASP HB3 H 1 2.664 . . . . . . . 82 D HB2 . 18922 1 600 . 1 1 82 82 ASP C C 13 176.070 . . . . . . . 82 D C . 18922 1 601 . 1 1 82 82 ASP CA C 13 53.470 . . . . . . . 82 D CA . 18922 1 602 . 1 1 82 82 ASP CB C 13 41.750 . . . . . . . 82 D CB . 18922 1 603 . 1 1 82 82 ASP N N 15 126.546 . . . . . . . 82 D N . 18922 1 604 . 1 1 83 83 THR H H 1 8.101 . . . . . . . 83 T HN . 18922 1 605 . 1 1 83 83 THR HA H 1 4.022 . . . . . . . 83 T HA . 18922 1 606 . 1 1 83 83 THR C C 13 177.350 . . . . . . . 83 T C . 18922 1 607 . 1 1 83 83 THR CA C 13 61.750 . . . . . . . 83 T CA . 18922 1 608 . 1 1 83 83 THR CB C 13 71.120 . . . . . . . 83 T CB . 18922 1 609 . 1 1 83 83 THR N N 15 112.528 . . . . . . . 83 T N . 18922 1 610 . 1 1 84 84 LEU H H 1 8.846 . . . . . . . 84 L HN . 18922 1 611 . 1 1 84 84 LEU HA H 1 3.901 . . . . . . . 84 L HA . 18922 1 612 . 1 1 84 84 LEU HB2 H 1 1.719 . . . . . . . 84 L HB1 . 18922 1 613 . 1 1 84 84 LEU HB3 H 1 1.719 . . . . . . . 84 L HB2 . 18922 1 614 . 1 1 84 84 LEU C C 13 178.980 . . . . . . . 84 L C . 18922 1 615 . 1 1 84 84 LEU CA C 13 58.150 . . . . . . . 84 L CA . 18922 1 616 . 1 1 84 84 LEU CB C 13 40.190 . . . . . . . 84 L CB . 18922 1 617 . 1 1 84 84 LEU N N 15 124.060 . . . . . . . 84 L N . 18922 1 618 . 1 1 85 85 GLU H H 1 8.699 . . . . . . . 85 E HN . 18922 1 619 . 1 1 85 85 GLU HA H 1 3.841 . . . . . . . 85 E HA . 18922 1 620 . 1 1 85 85 GLU HB2 H 1 1.970 . . . . . . . 85 E HB1 . 18922 1 621 . 1 1 85 85 GLU HB3 H 1 1.970 . . . . . . . 85 E HB2 . 18922 1 622 . 1 1 85 85 GLU C C 13 177.780 . . . . . . . 85 E C . 18922 1 623 . 1 1 85 85 GLU CA C 13 59.480 . . . . . . . 85 E CA . 18922 1 624 . 1 1 85 85 GLU CB C 13 27.690 . . . . . . . 85 E CB . 18922 1 625 . 1 1 85 85 GLU N N 15 115.735 . . . . . . . 85 E N . 18922 1 626 . 1 1 86 86 ASP H H 1 7.670 . . . . . . . 86 D HN . 18922 1 627 . 1 1 86 86 ASP HA H 1 5.249 . . . . . . . 86 D HA . 18922 1 628 . 1 1 86 86 ASP HB2 H 1 2.785 . . . . . . . 86 D HB1 . 18922 1 629 . 1 1 86 86 ASP HB3 H 1 2.785 . . . . . . . 86 D HB2 . 18922 1 630 . 1 1 86 86 ASP C C 13 179.500 . . . . . . . 86 D C . 18922 1 631 . 1 1 86 86 ASP CA C 13 57.760 . . . . . . . 86 D CA . 18922 1 632 . 1 1 86 86 ASP CB C 13 40.420 . . . . . . . 86 D CB . 18922 1 633 . 1 1 86 86 ASP N N 15 120.038 . . . . . . . 86 D N . 18922 1 634 . 1 1 87 87 ARG H H 1 7.488 . . . . . . . 87 R HN . 18922 1 635 . 1 1 87 87 ARG HA H 1 2.272 . . . . . . . 87 R HA . 18922 1 636 . 1 1 87 87 ARG HB2 H 1 1.105 . . . . . . . 87 R HB1 . 18922 1 637 . 1 1 87 87 ARG HB3 H 1 1.708 . . . . . . . 87 R HB2 . 18922 1 638 . 1 1 87 87 ARG C C 13 177.760 . . . . . . . 87 R C . 18922 1 639 . 1 1 87 87 ARG CA C 13 58.080 . . . . . . . 87 R CA . 18922 1 640 . 1 1 87 87 ARG CB C 13 28.940 . . . . . . . 87 R CB . 18922 1 641 . 1 1 87 87 ARG N N 15 119.835 . . . . . . . 87 R N . 18922 1 642 . 1 1 88 88 ILE H H 1 7.788 . . . . . . . 88 I HN . 18922 1 643 . 1 1 88 88 ILE HA H 1 3.318 . . . . . . . 88 I HA . 18922 1 644 . 1 1 88 88 ILE HB H 1 1.739 . . . . . . . 88 I HB . 18922 1 645 . 1 1 88 88 ILE C C 13 177.670 . . . . . . . 88 I C . 18922 1 646 . 1 1 88 88 ILE CA C 13 64.720 . . . . . . . 88 I CA . 18922 1 647 . 1 1 88 88 ILE CB C 13 36.830 . . . . . . . 88 I CB . 18922 1 648 . 1 1 88 88 ILE N N 15 115.603 . . . . . . . 88 I N . 18922 1 649 . 1 1 89 89 SER H H 1 8.040 . . . . . . . 89 S HN . 18922 1 650 . 1 1 89 89 SER HA H 1 4.334 . . . . . . . 89 S HA . 18922 1 651 . 1 1 89 89 SER HB2 H 1 3.981 . . . . . . . 89 S HB1 . 18922 1 652 . 1 1 89 89 SER HB3 H 1 3.981 . . . . . . . 89 S HB2 . 18922 1 653 . 1 1 89 89 SER C C 13 177.570 . . . . . . . 89 S C . 18922 1 654 . 1 1 89 89 SER CA C 13 60.810 . . . . . . . 89 S CA . 18922 1 655 . 1 1 89 89 SER CB C 13 62.300 . . . . . . . 89 S CB . 18922 1 656 . 1 1 89 89 SER N N 15 113.000 . . . . . . . 89 S N . 18922 1 657 . 1 1 90 90 GLY H H 1 8.599 . . . . . . . 90 G HN . 18922 1 658 . 1 1 90 90 GLY HA2 H 1 3.821 . . . . . . . 90 G HA1 . 18922 1 659 . 1 1 90 90 GLY HA3 H 1 3.821 . . . . . . . 90 G HA2 . 18922 1 660 . 1 1 90 90 GLY C C 13 178.530 . . . . . . . 90 G C . 18922 1 661 . 1 1 90 90 GLY CA C 13 47.380 . . . . . . . 90 G CA . 18922 1 662 . 1 1 90 90 GLY N N 15 110.361 . . . . . . . 90 G N . 18922 1 663 . 1 1 91 91 LEU H H 1 7.658 . . . . . . . 91 L HN . 18922 1 664 . 1 1 91 91 LEU HA H 1 4.474 . . . . . . . 91 L HA . 18922 1 665 . 1 1 91 91 LEU HB2 H 1 1.859 . . . . . . . 91 L HB1 . 18922 1 666 . 1 1 91 91 LEU HB3 H 1 1.648 . . . . . . . 91 L HB2 . 18922 1 667 . 1 1 91 91 LEU C C 13 174.320 . . . . . . . 91 L C . 18922 1 668 . 1 1 91 91 LEU CA C 13 57.685 . . . . . . . 91 L CA . 18922 1 669 . 1 1 91 91 LEU CB C 13 40.112 . . . . . . . 91 L CB . 18922 1 670 . 1 1 91 91 LEU N N 15 121.621 . . . . . . . 91 L N . 18922 1 671 . 1 1 92 92 ASP H H 1 9.072 . . . . . . . 92 D HN . 18922 1 672 . 1 1 92 92 ASP HA H 1 4.504 . . . . . . . 92 D HA . 18922 1 673 . 1 1 92 92 ASP HB2 H 1 2.775 . . . . . . . 92 D HB1 . 18922 1 674 . 1 1 92 92 ASP HB3 H 1 2.775 . . . . . . . 92 D HB2 . 18922 1 675 . 1 1 92 92 ASP C C 13 175.500 . . . . . . . 92 D C . 18922 1 676 . 1 1 92 92 ASP CA C 13 56.904 . . . . . . . 92 D CA . 18922 1 677 . 1 1 92 92 ASP CB C 13 38.862 . . . . . . . 92 D CB . 18922 1 678 . 1 1 92 92 ASP N N 15 119.939 . . . . . . . 92 D N . 18922 1 679 . 1 1 93 93 THR H H 1 7.917 . . . . . . . 93 T HN . 18922 1 680 . 1 1 93 93 THR HA H 1 4.364 . . . . . . . 93 T HA . 18922 1 681 . 1 1 93 93 THR HB H 1 4.142 . . . . . . . 93 T HB . 18922 1 682 . 1 1 93 93 THR C C 13 178.580 . . . . . . . 93 T C . 18922 1 683 . 1 1 93 93 THR CA C 13 64.715 . . . . . . . 93 T CA . 18922 1 684 . 1 1 93 93 THR CB C 13 68.308 . . . . . . . 93 T CB . 18922 1 685 . 1 1 93 93 THR N N 15 115.726 . . . . . . . 93 T N . 18922 1 686 . 1 1 94 94 GLY H H 1 7.727 . . . . . . . 94 G HN . 18922 1 687 . 1 1 94 94 GLY HA2 H 1 3.660 . . . . . . . 94 G HA1 . 18922 1 688 . 1 1 94 94 GLY HA3 H 1 4.582 . . . . . . . 94 G HA2 . 18922 1 689 . 1 1 94 94 GLY C C 13 173.930 . . . . . . . 94 G C . 18922 1 690 . 1 1 94 94 GLY CA C 13 44.640 . . . . . . . 94 G CA . 18922 1 691 . 1 1 94 94 GLY N N 15 104.016 . . . . . . . 94 G N . 18922 1 692 . 1 1 95 95 ALA H H 1 8.000 . . . . . . . 95 A HN . 18922 1 693 . 1 1 95 95 ALA HA H 1 4.303 . . . . . . . 95 A HA . 18922 1 694 . 1 1 95 95 ALA HB1 H 1 1.527 . . . . . . . 95 A HB1 . 18922 1 695 . 1 1 95 95 ALA HB2 H 1 1.527 . . . . . . . 95 A HB1 . 18922 1 696 . 1 1 95 95 ALA HB3 H 1 1.527 . . . . . . . 95 A HB1 . 18922 1 697 . 1 1 95 95 ALA C C 13 174.030 . . . . . . . 95 A C . 18922 1 698 . 1 1 95 95 ALA CA C 13 52.062 . . . . . . . 95 A CA . 18922 1 699 . 1 1 95 95 ALA CB C 13 18.550 . . . . . . . 95 A CB . 18922 1 700 . 1 1 95 95 ALA N N 15 125.602 . . . . . . . 95 A N . 18922 1 701 . 1 1 96 96 ASP H H 1 8.800 . . . . . . . 96 D HN . 18922 1 702 . 1 1 96 96 ASP HA H 1 4.755 . . . . . . . 96 D HA . 18922 1 703 . 1 1 96 96 ASP HB2 H 1 2.382 . . . . . . . 96 D HB1 . 18922 1 704 . 1 1 96 96 ASP HB3 H 1 2.765 . . . . . . . 96 D HB2 . 18922 1 705 . 1 1 96 96 ASP C C 13 173.550 . . . . . . . 96 D C . 18922 1 706 . 1 1 96 96 ASP CA C 13 55.190 . . . . . . . 96 D CA . 18922 1 707 . 1 1 96 96 ASP CB C 13 43.860 . . . . . . . 96 D CB . 18922 1 708 . 1 1 96 96 ASP N N 15 116.590 . . . . . . . 96 D N . 18922 1 709 . 1 1 97 97 ASP H H 1 8.010 . . . . . . . 97 D HN . 18922 1 710 . 1 1 97 97 ASP HA H 1 4.615 . . . . . . . 97 D HA . 18922 1 711 . 1 1 97 97 ASP HB2 H 1 2.775 . . . . . . . 97 D HB1 . 18922 1 712 . 1 1 97 97 ASP HB3 H 1 2.423 . . . . . . . 97 D HB2 . 18922 1 713 . 1 1 97 97 ASP C C 13 174.700 . . . . . . . 97 D C . 18922 1 714 . 1 1 97 97 ASP CA C 13 52.300 . . . . . . . 97 D CA . 18922 1 715 . 1 1 97 97 ASP CB C 13 42.770 . . . . . . . 97 D CB . 18922 1 716 . 1 1 97 97 ASP N N 15 111.971 . . . . . . . 97 D N . 18922 1 717 . 1 1 98 98 TYR H H 1 10.614 . . . . . . . 98 Y HN . 18922 1 718 . 1 1 98 98 TYR HA H 1 4.937 . . . . . . . 98 Y HA . 18922 1 719 . 1 1 98 98 TYR HB2 H 1 3.257 . . . . . . . 98 Y HB1 . 18922 1 720 . 1 1 98 98 TYR HB3 H 1 2.372 . . . . . . . 98 Y HB2 . 18922 1 721 . 1 1 98 98 TYR C C 13 173.730 . . . . . . . 98 Y C . 18922 1 722 . 1 1 98 98 TYR CA C 13 57.061 . . . . . . . 98 Y CA . 18922 1 723 . 1 1 98 98 TYR CB C 13 41.830 . . . . . . . 98 Y CB . 18922 1 724 . 1 1 98 98 TYR N N 15 127.515 . . . . . . . 98 Y N . 18922 1 725 . 1 1 99 99 LEU H H 1 9.738 . . . . . . . 99 L HN . 18922 1 726 . 1 1 99 99 LEU HA H 1 4.919 . . . . . . . 99 L HA . 18922 1 727 . 1 1 99 99 LEU HB2 H 1 1.814 . . . . . . . 99 L HB1 . 18922 1 728 . 1 1 99 99 LEU HB3 H 1 1.090 . . . . . . . 99 L HB2 . 18922 1 729 . 1 1 99 99 LEU C C 13 173.150 . . . . . . . 99 L C . 18922 1 730 . 1 1 99 99 LEU CA C 13 53.160 . . . . . . . 99 L CA . 18922 1 731 . 1 1 99 99 LEU CB C 13 44.960 . . . . . . . 99 L CB . 18922 1 732 . 1 1 99 99 LEU N N 15 135.281 . . . . . . . 99 L N . 18922 1 733 . 1 1 100 100 VAL H H 1 7.646 . . . . . . . 100 V HN . 18922 1 734 . 1 1 100 100 VAL HA H 1 5.252 . . . . . . . 100 V HA . 18922 1 735 . 1 1 100 100 VAL HB H 1 2.237 . . . . . . . 100 V HB . 18922 1 736 . 1 1 100 100 VAL C C 13 173.460 . . . . . . . 100 V C . 18922 1 737 . 1 1 100 100 VAL CA C 13 59.285 . . . . . . . 100 V CA . 18922 1 738 . 1 1 100 100 VAL CB C 13 32.170 . . . . . . . 100 V CB . 18922 1 739 . 1 1 100 100 VAL N N 15 118.599 . . . . . . . 100 V N . 18922 1 740 . 1 1 101 101 LYS H H 1 7.511 . . . . . . . 101 K HN . 18922 1 741 . 1 1 101 101 LYS C C 13 177.750 . . . . . . . 101 K C . 18922 1 742 . 1 1 101 101 LYS CA C 13 58.194 . . . . . . . 101 K CA . 18922 1 743 . 1 1 101 101 LYS CB C 13 33.806 . . . . . . . 101 K CB . 18922 1 744 . 1 1 101 101 LYS N N 15 120.011 . . . . . . . 101 K N . 18922 1 745 . 1 1 102 102 PRO HA H 1 5.966 . . . . . . . 102 P HA . 18922 1 746 . 1 1 102 102 PRO HB2 H 1 2.397 . . . . . . . 102 P HB1 . 18922 1 747 . 1 1 102 102 PRO HB3 H 1 2.108 . . . . . . . 102 P HB2 . 18922 1 748 . 1 1 102 102 PRO CA C 13 62.140 . . . . . . . 102 P CA . 18922 1 749 . 1 1 102 102 PRO CB C 13 33.400 . . . . . . . 102 P CB . 18922 1 750 . 1 1 103 103 PHE H H 1 7.581 . . . . . . . 103 F HN . 18922 1 751 . 1 1 103 103 PHE HA H 1 5.220 . . . . . . . 103 F HA . 18922 1 752 . 1 1 103 103 PHE HB2 H 1 3.415 . . . . . . . 103 F HB1 . 18922 1 753 . 1 1 103 103 PHE HB3 H 1 2.915 . . . . . . . 103 F HB2 . 18922 1 754 . 1 1 103 103 PHE C C 13 174.410 . . . . . . . 103 F C . 18922 1 755 . 1 1 103 103 PHE CA C 13 53.702 . . . . . . . 103 F CA . 18922 1 756 . 1 1 103 103 PHE CB C 13 41.362 . . . . . . . 103 F CB . 18922 1 757 . 1 1 103 103 PHE N N 15 116.182 . . . . . . . 103 F N . 18922 1 758 . 1 1 104 104 ALA H H 1 9.120 . . . . . . . 104 A HN . 18922 1 759 . 1 1 104 104 ALA C C 13 173.288 . . . . . . . 104 A C . 18922 1 760 . 1 1 104 104 ALA CA C 13 49.563 . . . . . . . 104 A CA . 18922 1 761 . 1 1 104 104 ALA CB C 13 18.790 . . . . . . . 104 A CB . 18922 1 762 . 1 1 104 104 ALA N N 15 123.690 . . . . . . . 104 A N . 18922 1 763 . 1 1 105 105 LEU HA H 1 4.132 . . . . . . . 105 L HA . 18922 1 764 . 1 1 105 105 LEU HB2 H 1 1.756 . . . . . . . 105 L HB1 . 18922 1 765 . 1 1 105 105 LEU HB3 H 1 1.756 . . . . . . . 105 L HB2 . 18922 1 766 . 1 1 105 105 LEU CA C 13 57.920 . . . . . . . 105 L CA . 18922 1 767 . 1 1 105 105 LEU CB C 13 40.581 . . . . . . . 105 L CB . 18922 1 768 . 1 1 106 106 GLU H H 1 9.965 . . . . . . . 106 E HN . 18922 1 769 . 1 1 106 106 GLU HA H 1 4.241 . . . . . . . 106 E HA . 18922 1 770 . 1 1 106 106 GLU HB2 H 1 2.172 . . . . . . . 106 E HB1 . 18922 1 771 . 1 1 106 106 GLU HB3 H 1 1.916 . . . . . . . 106 E HB2 . 18922 1 772 . 1 1 106 106 GLU C C 13 177.860 . . . . . . . 106 E C . 18922 1 773 . 1 1 106 106 GLU CA C 13 59.091 . . . . . . . 106 E CA . 18922 1 774 . 1 1 106 106 GLU CB C 13 28.240 . . . . . . . 106 E CB . 18922 1 775 . 1 1 106 106 GLU N N 15 114.440 . . . . . . . 106 E N . 18922 1 776 . 1 1 107 107 GLU H H 1 7.406 . . . . . . . 107 E HN . 18922 1 777 . 1 1 107 107 GLU HA H 1 3.984 . . . . . . . 107 E HA . 18922 1 778 . 1 1 107 107 GLU HB2 H 1 1.984 . . . . . . . 107 E HB1 . 18922 1 779 . 1 1 107 107 GLU HB3 H 1 1.984 . . . . . . . 107 E HB2 . 18922 1 780 . 1 1 107 107 GLU C C 13 180.430 . . . . . . . 107 E C . 18922 1 781 . 1 1 107 107 GLU CA C 13 59.091 . . . . . . . 107 E CA . 18922 1 782 . 1 1 107 107 GLU CB C 13 27.772 . . . . . . . 107 E CB . 18922 1 783 . 1 1 107 107 GLU N N 15 118.767 . . . . . . . 107 E N . 18922 1 784 . 1 1 108 108 LEU H H 1 7.806 . . . . . . . 108 L HN . 18922 1 785 . 1 1 108 108 LEU HA H 1 3.812 . . . . . . . 108 L HA . 18922 1 786 . 1 1 108 108 LEU HB2 H 1 2.358 . . . . . . . 108 L HB1 . 18922 1 787 . 1 1 108 108 LEU HB3 H 1 1.270 . . . . . . . 108 L HB2 . 18922 1 788 . 1 1 108 108 LEU C C 13 177.600 . . . . . . . 108 L C . 18922 1 789 . 1 1 108 108 LEU CA C 13 58.860 . . . . . . . 108 L CA . 18922 1 790 . 1 1 108 108 LEU CB C 13 39.330 . . . . . . . 108 L CB . 18922 1 791 . 1 1 108 108 LEU N N 15 121.059 . . . . . . . 108 L N . 18922 1 792 . 1 1 109 109 ASN H H 1 8.559 . . . . . . . 109 N HN . 18922 1 793 . 1 1 109 109 ASN HA H 1 4.471 . . . . . . . 109 N HA . 18922 1 794 . 1 1 109 109 ASN HB2 H 1 2.749 . . . . . . . 109 N HB1 . 18922 1 795 . 1 1 109 109 ASN HB3 H 1 2.749 . . . . . . . 109 N HB2 . 18922 1 796 . 1 1 109 109 ASN C C 13 177.970 . . . . . . . 109 N C . 18922 1 797 . 1 1 109 109 ASN CA C 13 55.576 . . . . . . . 109 N CA . 18922 1 798 . 1 1 109 109 ASN CB C 13 36.754 . . . . . . . 109 N CB . 18922 1 799 . 1 1 109 109 ASN N N 15 115.437 . . . . . . . 109 N N . 18922 1 800 . 1 1 110 110 ALA H H 1 7.591 . . . . . . . 110 A HN . 18922 1 801 . 1 1 110 110 ALA HA H 1 4.369 . . . . . . . 110 A HA . 18922 1 802 . 1 1 110 110 ALA HB1 H 1 1.628 . . . . . . . 110 A HB1 . 18922 1 803 . 1 1 110 110 ALA HB2 H 1 1.628 . . . . . . . 110 A HB1 . 18922 1 804 . 1 1 110 110 ALA HB3 H 1 1.628 . . . . . . . 110 A HB1 . 18922 1 805 . 1 1 110 110 ALA C C 13 178.530 . . . . . . . 110 A C . 18922 1 806 . 1 1 110 110 ALA CA C 13 54.874 . . . . . . . 110 A CA . 18922 1 807 . 1 1 110 110 ALA CB C 13 18.321 . . . . . . . 110 A CB . 18922 1 808 . 1 1 110 110 ALA N N 15 122.212 . . . . . . . 110 A N . 18922 1 809 . 1 1 111 111 ARG H H 1 8.366 . . . . . . . 111 R HN . 18922 1 810 . 1 1 111 111 ARG HA H 1 4.196 . . . . . . . 111 R HA . 18922 1 811 . 1 1 111 111 ARG HB2 H 1 1.154 . . . . . . . 111 R HB1 . 18922 1 812 . 1 1 111 111 ARG HB3 H 1 1.154 . . . . . . . 111 R HB2 . 18922 1 813 . 1 1 111 111 ARG C C 13 177.250 . . . . . . . 111 R C . 18922 1 814 . 1 1 111 111 ARG CA C 13 59.872 . . . . . . . 111 R CA . 18922 1 815 . 1 1 111 111 ARG CB C 13 28.318 . . . . . . . 111 R CB . 18922 1 816 . 1 1 111 111 ARG N N 15 120.330 . . . . . . . 111 R N . 18922 1 817 . 1 1 112 112 ILE H H 1 8.468 . . . . . . . 112 I HN . 18922 1 818 . 1 1 112 112 ILE HA H 1 3.600 . . . . . . . 112 I HA . 18922 1 819 . 1 1 112 112 ILE HB H 1 2.025 . . . . . . . 112 I HB . 18922 1 820 . 1 1 112 112 ILE C C 13 178.680 . . . . . . . 112 I C . 18922 1 821 . 1 1 112 112 ILE CA C 13 65.808 . . . . . . . 112 I CA . 18922 1 822 . 1 1 112 112 ILE CB C 13 36.285 . . . . . . . 112 I CB . 18922 1 823 . 1 1 112 112 ILE N N 15 121.505 . . . . . . . 112 I N . 18922 1 824 . 1 1 113 113 ARG H H 1 7.990 . . . . . . . 113 R HN . 18922 1 825 . 1 1 113 113 ARG HA H 1 4.010 . . . . . . . 113 R HA . 18922 1 826 . 1 1 113 113 ARG HB2 H 1 1.763 . . . . . . . 113 R HB1 . 18922 1 827 . 1 1 113 113 ARG HB3 H 1 1.763 . . . . . . . 113 R HB2 . 18922 1 828 . 1 1 113 113 ARG C C 13 177.760 . . . . . . . 113 R C . 18922 1 829 . 1 1 113 113 ARG CA C 13 60.263 . . . . . . . 113 R CA . 18922 1 830 . 1 1 113 113 ARG CB C 13 30.115 . . . . . . . 113 R CB . 18922 1 831 . 1 1 113 113 ARG N N 15 117.085 . . . . . . . 113 R N . 18922 1 832 . 1 1 114 114 ALA H H 1 7.885 . . . . . . . 114 A HN . 18922 1 833 . 1 1 114 114 ALA HA H 1 4.025 . . . . . . . 114 A HA . 18922 1 834 . 1 1 114 114 ALA HB1 H 1 1.712 . . . . . . . 114 A HB1 . 18922 1 835 . 1 1 114 114 ALA HB2 H 1 1.712 . . . . . . . 114 A HB1 . 18922 1 836 . 1 1 114 114 ALA HB3 H 1 1.712 . . . . . . . 114 A HB1 . 18922 1 837 . 1 1 114 114 ALA C C 13 179.710 . . . . . . . 114 A C . 18922 1 838 . 1 1 114 114 ALA CA C 13 54.874 . . . . . . . 114 A CA . 18922 1 839 . 1 1 114 114 ALA CB C 13 17.149 . . . . . . . 114 A CB . 18922 1 840 . 1 1 114 114 ALA N N 15 121.011 . . . . . . . 114 A N . 18922 1 841 . 1 1 115 115 LEU H H 1 8.196 . . . . . . . 115 L HN . 18922 1 842 . 1 1 115 115 LEU C C 13 180.777 . . . . . . . 115 L C . 18922 1 843 . 1 1 115 115 LEU CA C 13 56.200 . . . . . . . 115 L CA . 18922 1 844 . 1 1 115 115 LEU CB C 13 41.520 . . . . . . . 115 L CB . 18922 1 845 . 1 1 115 115 LEU N N 15 120.508 . . . . . . . 115 L N . 18922 1 846 . 1 1 116 116 LEU H H 1 8.191 . . . . . . . 116 L HN . 18922 1 847 . 1 1 116 116 LEU HA H 1 4.658 . . . . . . . 116 L HA . 18922 1 848 . 1 1 116 116 LEU HB2 H 1 3.958 . . . . . . . 116 L HB1 . 18922 1 849 . 1 1 116 116 LEU HB3 H 1 3.958 . . . . . . . 116 L HB2 . 18922 1 850 . 1 1 116 116 LEU C C 13 178.073 . . . . . . . 116 L C . 18922 1 851 . 1 1 116 116 LEU CA C 13 56.480 . . . . . . . 116 L CA . 18922 1 852 . 1 1 116 116 LEU CB C 13 40.740 . . . . . . . 116 L CB . 18922 1 853 . 1 1 116 116 LEU N N 15 117.245 . . . . . . . 116 L N . 18922 1 854 . 1 1 117 117 ARG H H 1 7.811 . . . . . . . 117 R HN . 18922 1 855 . 1 1 117 117 ARG HA H 1 4.299 . . . . . . . 117 R HA . 18922 1 856 . 1 1 117 117 ARG HB2 H 1 1.718 . . . . . . . 117 R HB1 . 18922 1 857 . 1 1 117 117 ARG HB3 H 1 1.718 . . . . . . . 117 R HB2 . 18922 1 858 . 1 1 117 117 ARG C C 13 174.130 . . . . . . . 117 R C . 18922 1 859 . 1 1 117 117 ARG CA C 13 57.842 . . . . . . . 117 R CA . 18922 1 860 . 1 1 117 117 ARG CB C 13 29.440 . . . . . . . 117 R CB . 18922 1 861 . 1 1 117 117 ARG N N 15 118.880 . . . . . . . 117 R N . 18922 1 862 . 1 1 118 118 ARG H H 1 7.489 . . . . . . . 118 R HN . 18922 1 863 . 1 1 118 118 ARG HA H 1 4.207 . . . . . . . 118 R HA . 18922 1 864 . 1 1 118 118 ARG HB2 H 1 1.578 . . . . . . . 118 R HB1 . 18922 1 865 . 1 1 118 118 ARG HB3 H 1 1.578 . . . . . . . 118 R HB2 . 18922 1 866 . 1 1 118 118 ARG C C 13 178.188 . . . . . . . 118 R C . 18922 1 867 . 1 1 118 118 ARG CA C 13 56.012 . . . . . . . 118 R CA . 18922 1 868 . 1 1 118 118 ARG CB C 13 29.443 . . . . . . . 118 R CB . 18922 1 869 . 1 1 118 118 ARG N N 15 117.295 . . . . . . . 118 R N . 18922 1 870 . 1 1 119 119 HIS H H 1 7.991 . . . . . . . 119 H HN . 18922 1 871 . 1 1 119 119 HIS HA H 1 4.006 . . . . . . . 119 H HA . 18922 1 872 . 1 1 119 119 HIS C C 13 179.250 . . . . . . . 119 H C . 18922 1 873 . 1 1 119 119 HIS CA C 13 56.168 . . . . . . . 119 H CA . 18922 1 874 . 1 1 119 119 HIS CB C 13 29.287 . . . . . . . 119 H CB . 18922 1 875 . 1 1 119 119 HIS N N 15 119.262 . . . . . . . 119 H N . 18922 1 876 . 1 1 120 120 ASN H H 1 7.927 . . . . . . . 120 N HN . 18922 1 877 . 1 1 120 120 ASN HA H 1 4.006 . . . . . . . 120 N HA . 18922 1 878 . 1 1 120 120 ASN HB2 H 1 2.065 . . . . . . . 120 N HB1 . 18922 1 879 . 1 1 120 120 ASN HB3 H 1 2.065 . . . . . . . 120 N HB2 . 18922 1 880 . 1 1 120 120 ASN C C 13 174.222 . . . . . . . 120 N C . 18922 1 881 . 1 1 120 120 ASN CA C 13 56.640 . . . . . . . 120 N CA . 18922 1 882 . 1 1 120 120 ASN CB C 13 29.130 . . . . . . . 120 N CB . 18922 1 883 . 1 1 120 120 ASN N N 15 120.810 . . . . . . . 120 N N . 18922 1 884 . 1 1 121 121 ASN H H 1 7.791 . . . . . . . 121 N HN . 18922 1 885 . 1 1 121 121 ASN HA H 1 4.244 . . . . . . . 121 N HA . 18922 1 886 . 1 1 121 121 ASN HB2 H 1 1.937 . . . . . . . 121 N HB1 . 18922 1 887 . 1 1 121 121 ASN HB3 H 1 1.724 . . . . . . . 121 N HB2 . 18922 1 888 . 1 1 121 121 ASN C C 13 173.960 . . . . . . . 121 N C . 18922 1 889 . 1 1 121 121 ASN CA C 13 53.312 . . . . . . . 121 N CA . 18922 1 890 . 1 1 121 121 ASN CB C 13 38.081 . . . . . . . 121 N CB . 18922 1 891 . 1 1 121 121 ASN N N 15 120.275 . . . . . . . 121 N N . 18922 1 892 . 1 1 122 122 GLN H H 1 8.063 . . . . . . . 122 Q HN . 18922 1 893 . 1 1 122 122 GLN C C 13 180.780 . . . . . . . 122 Q C . 18922 1 894 . 1 1 122 122 GLN CA C 13 55.967 . . . . . . . 122 Q CA . 18922 1 895 . 1 1 122 122 GLN CB C 13 28.318 . . . . . . . 122 Q CB . 18922 1 896 . 1 1 122 122 GLN N N 15 119.896 . . . . . . . 122 Q N . 18922 1 897 . 1 1 123 123 GLY CA C 13 45.033 . . . . . . . 123 G CA . 18922 1 stop_ save_