data_7272 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7272 _Entry.Title ; Backbone and Side Chains Assignments of RGS10 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-22 _Entry.Accession_date 2006-08-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details '1H,15N,13C assignments of RGS10' _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 Oleg Fedorov Y. . . 7272 2 Victoria Higman A. . . 7272 3 Martina Leidert . . . 7272 4 Jon Elkins . . . 7272 5 Meera Soundararajan . . . 7272 6 Declan Doyle . . . 7272 7 Peter Schmieder . . . 7272 8 Michael Sundstrom . . . 7272 9 Cheryl Arrowsmith . . . 7272 10 Johan Weigelt . . . 7272 11 Aled Edwards . . . 7272 12 Annette Diehl . . . 7272 13 Hartmut Oschkinat . . . 7272 14 Linda Ball J. . . 7272 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . SGC . 7272 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7272 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 586 7272 '15N chemical shifts' 142 7272 '1H chemical shifts' 901 7272 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-17 2006-08-22 update BMRB 'complete entry citation' 7272 1 . . 2007-01-09 2006-08-22 original author 'original release' 7272 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I59 'BMRB Entry Tracking System' 7272 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7272 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17180548 _Citation.Full_citation . _Citation.Title 'Resonance assignment of the RGS domain of human RGS10' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 191 _Citation.Page_last 191 _Citation.Year 2007 _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 Oleg Fedorov . Y. . 7272 1 2 Victoria Higman . A. . 7272 1 3 Peter Schmieder . . . 7272 1 4 Martina Leidert . . . 7272 1 5 Annette Diehl . . . 7272 1 6 Johnathan Elkins . . . 7272 1 7 Meera Soundararajan . . . 7272 1 8 Hartmut Oschkinat . . . 7272 1 9 Linda Ball . J. . 7272 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7272 _Assembly.ID 1 _Assembly.Name RGS10 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _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 RGS10 1 $RGS10 . . yes native no no . . . 7272 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RGS10 _Entity.Sf_category entity _Entity.Sf_framecode RGS10 _Entity.Entry_ID 7272 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RGS10 _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 ; SMQSLKSTAKWAASLENLLE DPEGVKRFREFLKKEFSEEN VLFWLACEDFKKMQDKTQMQ EKAKEIYMTFLSSKASSQVN VEGQSRLNEKILEEPHPLMF QKLQDQIFNLMKYDSYSRFL KSDLFLKHKRTEEEEEDL ; _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 138 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DLR . "Solution Structure Of The Rgs Domain Of Human Regulator Of G-Protein Signaling 10" . . . . . 100.00 149 98.55 98.55 3.23e-91 . . . . 7272 1 2 no PDB 2I59 . "Solution Structure Of Rgs10" . . . . . 100.00 138 100.00 100.00 3.81e-93 . . . . 7272 1 3 no PDB 2IHB . "Crystal Structure Of The Heterodimeric Complex Of Human Rgs10 And Activated Gi Alpha 3" . . . . . 96.38 153 99.25 99.25 1.12e-88 . . . . 7272 1 4 no DBJ BAF83462 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 181 99.28 99.28 3.21e-92 . . . . 7272 1 5 no DBJ BAJ17796 . "regulator of G-protein signaling 10 [synthetic construct]" . . . . . 100.00 181 99.28 99.28 3.21e-92 . . . . 7272 1 6 no EMBL CAG33289 . "RGS10 [Homo sapiens]" . . . . . 100.00 167 99.28 99.28 2.27e-92 . . . . 7272 1 7 no GB AAC03783 . "regulator of G protein signaling 10 [Homo sapiens]" . . . . . 100.00 167 99.28 99.28 2.27e-92 . . . . 7272 1 8 no GB AAH09361 . "Regulator of G-protein signaling 10 [Homo sapiens]" . . . . . 100.00 181 99.28 99.28 3.21e-92 . . . . 7272 1 9 no GB AAK52979 . "regulator of G protein signaling 10 [Homo sapiens]" . . . . . 100.00 173 99.28 99.28 3.85e-92 . . . . 7272 1 10 no GB AAM12648 . "regulator of G protein signalling 10 [Homo sapiens]" . . . . . 100.00 167 99.28 99.28 2.27e-92 . . . . 7272 1 11 no GB ADZ15814 . "regulator of G-protein signaling 10 [synthetic construct]" . . . . . 100.00 181 99.28 99.28 3.21e-92 . . . . 7272 1 12 no REF NP_001005339 . "regulator of G-protein signaling 10 isoform a [Homo sapiens]" . . . . . 100.00 181 99.28 99.28 3.21e-92 . . . . 7272 1 13 no REF NP_001248583 . "regulator of G-protein signaling 10 [Macaca mulatta]" . . . . . 99.28 167 99.27 99.27 9.48e-92 . . . . 7272 1 14 no REF NP_002916 . "regulator of G-protein signaling 10 isoform b [Homo sapiens]" . . . . . 100.00 167 99.28 99.28 2.27e-92 . . . . 7272 1 15 no REF XP_002718734 . "PREDICTED: regulator of G-protein signaling 10 [Oryctolagus cuniculus]" . . . . . 97.83 181 97.78 99.26 7.60e-89 . . . . 7272 1 16 no REF XP_002756687 . "PREDICTED: regulator of G-protein signaling 10 isoform X1 [Callithrix jacchus]" . . . . . 99.28 181 98.54 98.54 8.76e-91 . . . . 7272 1 17 no SP O43665 . "RecName: Full=Regulator of G-protein signaling 10; Short=RGS10 [Homo sapiens]" . . . . . 100.00 173 99.28 99.28 3.85e-92 . . . . 7272 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 . SER . 7272 1 2 . MET . 7272 1 3 . GLN . 7272 1 4 . SER . 7272 1 5 . LEU . 7272 1 6 . LYS . 7272 1 7 . SER . 7272 1 8 . THR . 7272 1 9 . ALA . 7272 1 10 . LYS . 7272 1 11 . TRP . 7272 1 12 . ALA . 7272 1 13 . ALA . 7272 1 14 . SER . 7272 1 15 . LEU . 7272 1 16 . GLU . 7272 1 17 . ASN . 7272 1 18 . LEU . 7272 1 19 . LEU . 7272 1 20 . GLU . 7272 1 21 . ASP . 7272 1 22 . PRO . 7272 1 23 . GLU . 7272 1 24 . GLY . 7272 1 25 . VAL . 7272 1 26 . LYS . 7272 1 27 . ARG . 7272 1 28 . PHE . 7272 1 29 . ARG . 7272 1 30 . GLU . 7272 1 31 . PHE . 7272 1 32 . LEU . 7272 1 33 . LYS . 7272 1 34 . LYS . 7272 1 35 . GLU . 7272 1 36 . PHE . 7272 1 37 . SER . 7272 1 38 . GLU . 7272 1 39 . GLU . 7272 1 40 . ASN . 7272 1 41 . VAL . 7272 1 42 . LEU . 7272 1 43 . PHE . 7272 1 44 . TRP . 7272 1 45 . LEU . 7272 1 46 . ALA . 7272 1 47 . CYS . 7272 1 48 . GLU . 7272 1 49 . ASP . 7272 1 50 . PHE . 7272 1 51 . LYS . 7272 1 52 . LYS . 7272 1 53 . MET . 7272 1 54 . GLN . 7272 1 55 . ASP . 7272 1 56 . LYS . 7272 1 57 . THR . 7272 1 58 . GLN . 7272 1 59 . MET . 7272 1 60 . GLN . 7272 1 61 . GLU . 7272 1 62 . LYS . 7272 1 63 . ALA . 7272 1 64 . LYS . 7272 1 65 . GLU . 7272 1 66 . ILE . 7272 1 67 . TYR . 7272 1 68 . MET . 7272 1 69 . THR . 7272 1 70 . PHE . 7272 1 71 . LEU . 7272 1 72 . SER . 7272 1 73 . SER . 7272 1 74 . LYS . 7272 1 75 . ALA . 7272 1 76 . SER . 7272 1 77 . SER . 7272 1 78 . GLN . 7272 1 79 . VAL . 7272 1 80 . ASN . 7272 1 81 . VAL . 7272 1 82 . GLU . 7272 1 83 . GLY . 7272 1 84 . GLN . 7272 1 85 . SER . 7272 1 86 . ARG . 7272 1 87 . LEU . 7272 1 88 . ASN . 7272 1 89 . GLU . 7272 1 90 . LYS . 7272 1 91 . ILE . 7272 1 92 . LEU . 7272 1 93 . GLU . 7272 1 94 . GLU . 7272 1 95 . PRO . 7272 1 96 . HIS . 7272 1 97 . PRO . 7272 1 98 . LEU . 7272 1 99 . MET . 7272 1 100 . PHE . 7272 1 101 . GLN . 7272 1 102 . LYS . 7272 1 103 . LEU . 7272 1 104 . GLN . 7272 1 105 . ASP . 7272 1 106 . GLN . 7272 1 107 . ILE . 7272 1 108 . PHE . 7272 1 109 . ASN . 7272 1 110 . LEU . 7272 1 111 . MET . 7272 1 112 . LYS . 7272 1 113 . TYR . 7272 1 114 . ASP . 7272 1 115 . SER . 7272 1 116 . TYR . 7272 1 117 . SER . 7272 1 118 . ARG . 7272 1 119 . PHE . 7272 1 120 . LEU . 7272 1 121 . LYS . 7272 1 122 . SER . 7272 1 123 . ASP . 7272 1 124 . LEU . 7272 1 125 . PHE . 7272 1 126 . LEU . 7272 1 127 . LYS . 7272 1 128 . HIS . 7272 1 129 . LYS . 7272 1 130 . ARG . 7272 1 131 . THR . 7272 1 132 . GLU . 7272 1 133 . GLU . 7272 1 134 . GLU . 7272 1 135 . GLU . 7272 1 136 . GLU . 7272 1 137 . ASP . 7272 1 138 . LEU . 7272 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 . SER 1 1 7272 1 . MET 2 2 7272 1 . GLN 3 3 7272 1 . SER 4 4 7272 1 . LEU 5 5 7272 1 . LYS 6 6 7272 1 . SER 7 7 7272 1 . THR 8 8 7272 1 . ALA 9 9 7272 1 . LYS 10 10 7272 1 . TRP 11 11 7272 1 . ALA 12 12 7272 1 . ALA 13 13 7272 1 . SER 14 14 7272 1 . LEU 15 15 7272 1 . GLU 16 16 7272 1 . ASN 17 17 7272 1 . LEU 18 18 7272 1 . LEU 19 19 7272 1 . GLU 20 20 7272 1 . ASP 21 21 7272 1 . PRO 22 22 7272 1 . GLU 23 23 7272 1 . GLY 24 24 7272 1 . VAL 25 25 7272 1 . LYS 26 26 7272 1 . ARG 27 27 7272 1 . PHE 28 28 7272 1 . ARG 29 29 7272 1 . GLU 30 30 7272 1 . PHE 31 31 7272 1 . LEU 32 32 7272 1 . LYS 33 33 7272 1 . LYS 34 34 7272 1 . GLU 35 35 7272 1 . PHE 36 36 7272 1 . SER 37 37 7272 1 . GLU 38 38 7272 1 . GLU 39 39 7272 1 . ASN 40 40 7272 1 . VAL 41 41 7272 1 . LEU 42 42 7272 1 . PHE 43 43 7272 1 . TRP 44 44 7272 1 . LEU 45 45 7272 1 . ALA 46 46 7272 1 . CYS 47 47 7272 1 . GLU 48 48 7272 1 . ASP 49 49 7272 1 . PHE 50 50 7272 1 . LYS 51 51 7272 1 . LYS 52 52 7272 1 . MET 53 53 7272 1 . GLN 54 54 7272 1 . ASP 55 55 7272 1 . LYS 56 56 7272 1 . THR 57 57 7272 1 . GLN 58 58 7272 1 . MET 59 59 7272 1 . GLN 60 60 7272 1 . GLU 61 61 7272 1 . LYS 62 62 7272 1 . ALA 63 63 7272 1 . LYS 64 64 7272 1 . GLU 65 65 7272 1 . ILE 66 66 7272 1 . TYR 67 67 7272 1 . MET 68 68 7272 1 . THR 69 69 7272 1 . PHE 70 70 7272 1 . LEU 71 71 7272 1 . SER 72 72 7272 1 . SER 73 73 7272 1 . LYS 74 74 7272 1 . ALA 75 75 7272 1 . SER 76 76 7272 1 . SER 77 77 7272 1 . GLN 78 78 7272 1 . VAL 79 79 7272 1 . ASN 80 80 7272 1 . VAL 81 81 7272 1 . GLU 82 82 7272 1 . GLY 83 83 7272 1 . GLN 84 84 7272 1 . SER 85 85 7272 1 . ARG 86 86 7272 1 . LEU 87 87 7272 1 . ASN 88 88 7272 1 . GLU 89 89 7272 1 . LYS 90 90 7272 1 . ILE 91 91 7272 1 . LEU 92 92 7272 1 . GLU 93 93 7272 1 . GLU 94 94 7272 1 . PRO 95 95 7272 1 . HIS 96 96 7272 1 . PRO 97 97 7272 1 . LEU 98 98 7272 1 . MET 99 99 7272 1 . PHE 100 100 7272 1 . GLN 101 101 7272 1 . LYS 102 102 7272 1 . LEU 103 103 7272 1 . GLN 104 104 7272 1 . ASP 105 105 7272 1 . GLN 106 106 7272 1 . ILE 107 107 7272 1 . PHE 108 108 7272 1 . ASN 109 109 7272 1 . LEU 110 110 7272 1 . MET 111 111 7272 1 . LYS 112 112 7272 1 . TYR 113 113 7272 1 . ASP 114 114 7272 1 . SER 115 115 7272 1 . TYR 116 116 7272 1 . SER 117 117 7272 1 . ARG 118 118 7272 1 . PHE 119 119 7272 1 . LEU 120 120 7272 1 . LYS 121 121 7272 1 . SER 122 122 7272 1 . ASP 123 123 7272 1 . LEU 124 124 7272 1 . PHE 125 125 7272 1 . LEU 126 126 7272 1 . LYS 127 127 7272 1 . HIS 128 128 7272 1 . LYS 129 129 7272 1 . ARG 130 130 7272 1 . THR 131 131 7272 1 . GLU 132 132 7272 1 . GLU 133 133 7272 1 . GLU 134 134 7272 1 . GLU 135 135 7272 1 . GLU 136 136 7272 1 . ASP 137 137 7272 1 . LEU 138 138 7272 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 7272 _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 $RGS10 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7272 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 7272 _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 $RGS10 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7272 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7272 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RGS10 '[U-13C; U-15N]' . . 1 $RGS10 . . 1.0 . . mM . . . . 7272 1 2 'Na phosphate buffer' . . . . . . . 20 . . mM . . . . 7272 1 3 NaCl . . . . . . . 50 . . mM . . . . 7272 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7272 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.2 pH 7272 1 temperature 297 . K 7272 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600Mhz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600Mhz _NMR_spectrometer.Entry_ID 7272 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_750Mhz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750Mhz _NMR_spectrometer.Entry_ID 7272 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7272 _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 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 3 '3D CBCA(CO)NNH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 4 '3D CBCACONNH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 6 '3D CCC(CO)NNH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 7 '3D H(CCO)NNH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 8 '3D HBHA(CO)NNH' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 9 '3D HCCH TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 10 '3D HCCH COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 11 '3D 15N-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 12 '3D 13C-HMQC-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 13 '3D 13C-NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 14 1H13C-HMQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 15 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7272 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HNCO _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCO' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_CBCA(CO)NNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCA(CO)NNH _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D CBCA(CO)NNH' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_CBCACONNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CBCACONNH _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCACONNH' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HN(CA)CO _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HN(CA)CO' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_CCC(CO)NNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_CCC(CO)NNH _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D CCC(CO)NNH' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_H(CCO)NNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_H(CCO)NNH _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D H(CCO)NNH' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HBHA(CO)NNH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HBHA(CO)NNH _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HBHA(CO)NNH' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HCCH_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH_TOCSY _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCH TOCSY' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HCCH_COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH_COSY _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HCCH COSY' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-NOESY-HSQC _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 15N-NOESY-HSQC' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-HMQC-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-HMQC-NOESY _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 13C-HMQC-NOESY' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-NOESY-HSQC _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 13C-NOESY-HSQC' _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13C-HMQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13C-HMQC _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 1H13C-HMQC _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 . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_TOCSY _NMR_spec_expt.Entry_ID 7272 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name '2D TOCSY' _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 . _NMR_spec_expt.Software_label . _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_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7272 _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 0.0 . indirect 0.251449530 . . . . . . . . . 7272 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7272 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7272 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7272 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 7272 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 2 2 MET HA H 1 4.474 0.007 . 1 . . . . 2 MET HA . 7272 1 2 . 1 1 2 2 MET HB2 H 1 2.062 0.018 . 2 . . . . 2 MET HB2 . 7272 1 3 . 1 1 2 2 MET HB3 H 1 2.073 0.020 . 2 . . . . 2 MET HB3 . 7272 1 4 . 1 1 2 2 MET HG2 H 1 2.575 0.01 . 2 . . . . 2 MET HG2 . 7272 1 5 . 1 1 2 2 MET HG3 H 1 2.593 0.018 . 2 . . . . 2 MET HG3 . 7272 1 6 . 1 1 2 2 MET CA C 13 56.102 0.010 . 1 . . . . 2 MET CA . 7272 1 7 . 1 1 2 2 MET CB C 13 32.940 0.1 . 1 . . . . 2 MET CB . 7272 1 8 . 1 1 2 2 MET CG C 13 32.078 0.1 . 1 . . . . 2 MET CG . 7272 1 9 . 1 1 3 3 GLN H H 1 8.518 0.007 . 1 . . . . 3 GLN H . 7272 1 10 . 1 1 3 3 GLN HA H 1 4.280 0.011 . 1 . . . . 3 GLN HA . 7272 1 11 . 1 1 3 3 GLN HB2 H 1 1.993 0.020 . 2 . . . . 3 GLN HB2 . 7272 1 12 . 1 1 3 3 GLN HB3 H 1 2.062 0.002 . 2 . . . . 3 GLN HB3 . 7272 1 13 . 1 1 3 3 GLN HG2 H 1 2.363 0.007 . 1 . . . . 3 GLN HG2 . 7272 1 14 . 1 1 3 3 GLN HG3 H 1 2.363 0.006 . 1 . . . . 3 GLN HG3 . 7272 1 15 . 1 1 3 3 GLN HE21 H 1 6.824 0.01 . 2 . . . . 3 GLN HE21 . 7272 1 16 . 1 1 3 3 GLN HE22 H 1 7.525 0.016 . 2 . . . . 3 GLN HE22 . 7272 1 17 . 1 1 3 3 GLN C C 13 176.169 0.016 . 1 . . . . 3 GLN C . 7272 1 18 . 1 1 3 3 GLN CA C 13 56.245 0.032 . 1 . . . . 3 GLN CA . 7272 1 19 . 1 1 3 3 GLN CB C 13 29.345 0.001 . 1 . . . . 3 GLN CB . 7272 1 20 . 1 1 3 3 GLN CG C 13 33.810 0.1 . 1 . . . . 3 GLN CG . 7272 1 21 . 1 1 3 3 GLN N N 15 121.436 0.036 . 1 . . . . 3 GLN N . 7272 1 22 . 1 1 3 3 GLN NE2 N 15 111.639 0.052 . 1 . . . . 3 GLN NE2 . 7272 1 23 . 1 1 4 4 SER H H 1 8.306 0.001 . 1 . . . . 4 SER H . 7272 1 24 . 1 1 4 4 SER HA H 1 4.362 0.005 . 1 . . . . 4 SER HA . 7272 1 25 . 1 1 4 4 SER HB2 H 1 3.819 0.01 . 2 . . . . 4 SER HB2 . 7272 1 26 . 1 1 4 4 SER HB3 H 1 3.820 0.001 . 2 . . . . 4 SER HB3 . 7272 1 27 . 1 1 4 4 SER C C 13 174.681 0.005 . 1 . . . . 4 SER C . 7272 1 28 . 1 1 4 4 SER CA C 13 58.503 0.019 . 1 . . . . 4 SER CA . 7272 1 29 . 1 1 4 4 SER CB C 13 63.179 0.001 . 1 . . . . 4 SER CB . 7272 1 30 . 1 1 4 4 SER N N 15 117.181 0.020 . 1 . . . . 4 SER N . 7272 1 31 . 1 1 5 5 LEU H H 1 8.225 0.004 . 1 . . . . 5 LEU H . 7272 1 32 . 1 1 5 5 LEU HA H 1 4.293 0.013 . 1 . . . . 5 LEU HA . 7272 1 33 . 1 1 5 5 LEU HB2 H 1 1.561 0.040 . 2 . . . . 5 LEU HB2 . 7272 1 34 . 1 1 5 5 LEU HB3 H 1 1.609 0.015 . 2 . . . . 5 LEU HB3 . 7272 1 35 . 1 1 5 5 LEU HG H 1 1.604 0.009 . 1 . . . . 5 LEU HG . 7272 1 36 . 1 1 5 5 LEU HD11 H 1 0.823 0.011 . 2 . . . . 5 LEU HD1 . 7272 1 37 . 1 1 5 5 LEU HD12 H 1 0.823 0.011 . 2 . . . . 5 LEU HD1 . 7272 1 38 . 1 1 5 5 LEU HD13 H 1 0.823 0.011 . 2 . . . . 5 LEU HD1 . 7272 1 39 . 1 1 5 5 LEU HD21 H 1 0.868 0.014 . 2 . . . . 5 LEU HD2 . 7272 1 40 . 1 1 5 5 LEU HD22 H 1 0.868 0.014 . 2 . . . . 5 LEU HD2 . 7272 1 41 . 1 1 5 5 LEU HD23 H 1 0.868 0.014 . 2 . . . . 5 LEU HD2 . 7272 1 42 . 1 1 5 5 LEU C C 13 177.574 0.004 . 1 . . . . 5 LEU C . 7272 1 43 . 1 1 5 5 LEU CA C 13 55.344 0.073 . 1 . . . . 5 LEU CA . 7272 1 44 . 1 1 5 5 LEU CB C 13 42.354 0.061 . 1 . . . . 5 LEU CB . 7272 1 45 . 1 1 5 5 LEU CG C 13 27.095 0.036 . 1 . . . . 5 LEU CG . 7272 1 46 . 1 1 5 5 LEU CD1 C 13 23.759 0.022 . 2 . . . . 5 LEU CD1 . 7272 1 47 . 1 1 5 5 LEU CD2 C 13 25.191 0.1 . 2 . . . . 5 LEU CD2 . 7272 1 48 . 1 1 5 5 LEU N N 15 124.318 0.013 . 1 . . . . 5 LEU N . 7272 1 49 . 1 1 6 6 LYS H H 1 8.201 0.009 . 1 . . . . 6 LYS H . 7272 1 50 . 1 1 6 6 LYS HA H 1 4.224 0.021 . 1 . . . . 6 LYS HA . 7272 1 51 . 1 1 6 6 LYS HB2 H 1 1.694 0.021 . 2 . . . . 6 LYS HB2 . 7272 1 52 . 1 1 6 6 LYS HB3 H 1 1.837 0.019 . 2 . . . . 6 LYS HB3 . 7272 1 53 . 1 1 6 6 LYS HG2 H 1 1.386 0.009 . 2 . . . . 6 LYS HG2 . 7272 1 54 . 1 1 6 6 LYS HG3 H 1 1.388 0.027 . 2 . . . . 6 LYS HG3 . 7272 1 55 . 1 1 6 6 LYS HD2 H 1 1.811 0.01 . 1 . . . . 6 LYS HD2 . 7272 1 56 . 1 1 6 6 LYS HD3 H 1 1.811 0.01 . 1 . . . . 6 LYS HD3 . 7272 1 57 . 1 1 6 6 LYS HE2 H 1 2.964 0.01 . 1 . . . . 6 LYS HE2 . 7272 1 58 . 1 1 6 6 LYS HE3 H 1 2.964 0.01 . 1 . . . . 6 LYS HE3 . 7272 1 59 . 1 1 6 6 LYS C C 13 177.485 0.004 . 1 . . . . 6 LYS C . 7272 1 60 . 1 1 6 6 LYS CA C 13 56.369 0.059 . 1 . . . . 6 LYS CA . 7272 1 61 . 1 1 6 6 LYS CB C 13 32.640 0.076 . 1 . . . . 6 LYS CB . 7272 1 62 . 1 1 6 6 LYS CG C 13 25.148 0.030 . 1 . . . . 6 LYS CG . 7272 1 63 . 1 1 6 6 LYS CD C 13 29.423 0.1 . 1 . . . . 6 LYS CD . 7272 1 64 . 1 1 6 6 LYS CE C 13 42.319 0.1 . 1 . . . . 6 LYS CE . 7272 1 65 . 1 1 6 6 LYS N N 15 121.351 0.033 . 1 . . . . 6 LYS N . 7272 1 66 . 1 1 7 7 SER H H 1 8.384 0.009 . 1 . . . . 7 SER H . 7272 1 67 . 1 1 7 7 SER HA H 1 3.974 0.013 . 1 . . . . 7 SER HA . 7272 1 68 . 1 1 7 7 SER HB2 H 1 3.550 0.01 . 1 . . . . 7 SER HB2 . 7272 1 69 . 1 1 7 7 SER HB3 H 1 3.550 0.01 . 1 . . . . 7 SER HB3 . 7272 1 70 . 1 1 7 7 SER C C 13 175.006 0.006 . 1 . . . . 7 SER C . 7272 1 71 . 1 1 7 7 SER CA C 13 60.385 0.095 . 1 . . . . 7 SER CA . 7272 1 72 . 1 1 7 7 SER CB C 13 62.894 0.019 . 1 . . . . 7 SER CB . 7272 1 73 . 1 1 7 7 SER N N 15 117.594 0.078 . 1 . . . . 7 SER N . 7272 1 74 . 1 1 8 8 THR H H 1 8.202 0.003 . 1 . . . . 8 THR H . 7272 1 75 . 1 1 8 8 THR HA H 1 3.735 0.033 . 1 . . . . 8 THR HA . 7272 1 76 . 1 1 8 8 THR HB H 1 3.045 0.011 . 1 . . . . 8 THR HB . 7272 1 77 . 1 1 8 8 THR HG21 H 1 0.527 0.009 . 1 . . . . 8 THR HG2 . 7272 1 78 . 1 1 8 8 THR HG22 H 1 0.527 0.009 . 1 . . . . 8 THR HG2 . 7272 1 79 . 1 1 8 8 THR HG23 H 1 0.527 0.009 . 1 . . . . 8 THR HG2 . 7272 1 80 . 1 1 8 8 THR C C 13 176.162 0.007 . 1 . . . . 8 THR C . 7272 1 81 . 1 1 8 8 THR CA C 13 64.442 0.091 . 1 . . . . 8 THR CA . 7272 1 82 . 1 1 8 8 THR CB C 13 68.005 0.123 . 1 . . . . 8 THR CB . 7272 1 83 . 1 1 8 8 THR CG2 C 13 21.848 0.079 . 1 . . . . 8 THR CG2 . 7272 1 84 . 1 1 8 8 THR N N 15 113.062 0.028 . 1 . . . . 8 THR N . 7272 1 85 . 1 1 9 9 ALA H H 1 7.385 0.051 . 1 . . . . 9 ALA H . 7272 1 86 . 1 1 9 9 ALA HA H 1 4.114 0.007 . 1 . . . . 9 ALA HA . 7272 1 87 . 1 1 9 9 ALA HB1 H 1 1.374 0.004 . 1 . . . . 9 ALA HB . 7272 1 88 . 1 1 9 9 ALA HB2 H 1 1.374 0.004 . 1 . . . . 9 ALA HB . 7272 1 89 . 1 1 9 9 ALA HB3 H 1 1.374 0.004 . 1 . . . . 9 ALA HB . 7272 1 90 . 1 1 9 9 ALA C C 13 180.725 0.001 . 1 . . . . 9 ALA C . 7272 1 91 . 1 1 9 9 ALA CA C 13 54.542 0.005 . 1 . . . . 9 ALA CA . 7272 1 92 . 1 1 9 9 ALA CB C 13 18.147 0.069 . 1 . . . . 9 ALA CB . 7272 1 93 . 1 1 9 9 ALA N N 15 123.221 0.040 . 1 . . . . 9 ALA N . 7272 1 94 . 1 1 10 10 LYS H H 1 7.636 0.010 . 1 . . . . 10 LYS H . 7272 1 95 . 1 1 10 10 LYS HA H 1 4.113 0.007 . 1 . . . . 10 LYS HA . 7272 1 96 . 1 1 10 10 LYS HB2 H 1 1.922 0.013 . 2 . . . . 10 LYS HB2 . 7272 1 97 . 1 1 10 10 LYS HB3 H 1 2.002 0.01 . 2 . . . . 10 LYS HB3 . 7272 1 98 . 1 1 10 10 LYS HG2 H 1 1.415 0.005 . 2 . . . . 10 LYS HG2 . 7272 1 99 . 1 1 10 10 LYS HG3 H 1 1.453 0.043 . 2 . . . . 10 LYS HG3 . 7272 1 100 . 1 1 10 10 LYS HD2 H 1 1.747 0.01 . 2 . . . . 10 LYS HD2 . 7272 1 101 . 1 1 10 10 LYS HD3 H 1 1.739 0.01 . 2 . . . . 10 LYS HD3 . 7272 1 102 . 1 1 10 10 LYS HE2 H 1 3.014 0.01 . 1 . . . . 10 LYS HE2 . 7272 1 103 . 1 1 10 10 LYS HE3 H 1 3.014 0.01 . 1 . . . . 10 LYS HE3 . 7272 1 104 . 1 1 10 10 LYS C C 13 179.336 0.1 . 1 . . . . 10 LYS C . 7272 1 105 . 1 1 10 10 LYS CA C 13 59.173 0.014 . 1 . . . . 10 LYS CA . 7272 1 106 . 1 1 10 10 LYS CB C 13 31.788 0.075 . 1 . . . . 10 LYS CB . 7272 1 107 . 1 1 10 10 LYS CG C 13 25.536 0.1 . 1 . . . . 10 LYS CG . 7272 1 108 . 1 1 10 10 LYS CD C 13 29.211 0.1 . 1 . . . . 10 LYS CD . 7272 1 109 . 1 1 10 10 LYS CE C 13 42.208 0.1 . 1 . . . . 10 LYS CE . 7272 1 110 . 1 1 10 10 LYS N N 15 118.750 0.090 . 1 . . . . 10 LYS N . 7272 1 111 . 1 1 11 11 TRP H H 1 8.272 0.021 . 1 . . . . 11 TRP H . 7272 1 112 . 1 1 11 11 TRP HA H 1 4.460 0.017 . 1 . . . . 11 TRP HA . 7272 1 113 . 1 1 11 11 TRP HB2 H 1 3.035 0.008 . 2 . . . . 11 TRP HB2 . 7272 1 114 . 1 1 11 11 TRP HB3 H 1 3.055 0.011 . 2 . . . . 11 TRP HB3 . 7272 1 115 . 1 1 11 11 TRP HD1 H 1 6.877 0.014 . 1 . . . . 11 TRP HD1 . 7272 1 116 . 1 1 11 11 TRP HE1 H 1 10.923 0.012 . 1 . . . . 11 TRP HE1 . 7272 1 117 . 1 1 11 11 TRP HE3 H 1 7.604 0.001 . 1 . . . . 11 TRP HE3 . 7272 1 118 . 1 1 11 11 TRP HZ2 H 1 7.270 0.014 . 1 . . . . 11 TRP HZ2 . 7272 1 119 . 1 1 11 11 TRP HZ3 H 1 6.969 0.028 . 1 . . . . 11 TRP HZ3 . 7272 1 120 . 1 1 11 11 TRP HH2 H 1 6.834 0.011 . 1 . . . . 11 TRP HH2 . 7272 1 121 . 1 1 11 11 TRP C C 13 177.213 0.005 . 1 . . . . 11 TRP C . 7272 1 122 . 1 1 11 11 TRP CA C 13 57.338 0.049 . 1 . . . . 11 TRP CA . 7272 1 123 . 1 1 11 11 TRP CB C 13 30.165 0.013 . 1 . . . . 11 TRP CB . 7272 1 124 . 1 1 11 11 TRP CD1 C 13 124.818 0.007 . 1 . . . . 11 TRP CD1 . 7272 1 125 . 1 1 11 11 TRP CE3 C 13 119.536 0.1 . 1 . . . . 11 TRP CE3 . 7272 1 126 . 1 1 11 11 TRP CZ2 C 13 114.742 0.1 . 1 . . . . 11 TRP CZ2 . 7272 1 127 . 1 1 11 11 TRP CZ3 C 13 120.470 0.1 . 1 . . . . 11 TRP CZ3 . 7272 1 128 . 1 1 11 11 TRP CH2 C 13 124.339 0.1 . 1 . . . . 11 TRP CH2 . 7272 1 129 . 1 1 11 11 TRP N N 15 118.717 0.067 . 1 . . . . 11 TRP N . 7272 1 130 . 1 1 11 11 TRP NE1 N 15 129.742 0.051 . 1 . . . . 11 TRP NE1 . 7272 1 131 . 1 1 12 12 ALA H H 1 7.777 0.011 . 1 . . . . 12 ALA H . 7272 1 132 . 1 1 12 12 ALA HA H 1 4.237 0.010 . 1 . . . . 12 ALA HA . 7272 1 133 . 1 1 12 12 ALA HB1 H 1 1.450 0.013 . 1 . . . . 12 ALA HB . 7272 1 134 . 1 1 12 12 ALA HB2 H 1 1.450 0.013 . 1 . . . . 12 ALA HB . 7272 1 135 . 1 1 12 12 ALA HB3 H 1 1.450 0.013 . 1 . . . . 12 ALA HB . 7272 1 136 . 1 1 12 12 ALA C C 13 176.831 0.005 . 1 . . . . 12 ALA C . 7272 1 137 . 1 1 12 12 ALA CA C 13 52.093 0.088 . 1 . . . . 12 ALA CA . 7272 1 138 . 1 1 12 12 ALA CB C 13 18.975 0.054 . 1 . . . . 12 ALA CB . 7272 1 139 . 1 1 12 12 ALA N N 15 116.164 0.075 . 1 . . . . 12 ALA N . 7272 1 140 . 1 1 13 13 ALA H H 1 7.605 0.005 . 1 . . . . 13 ALA H . 7272 1 141 . 1 1 13 13 ALA HA H 1 4.220 0.005 . 1 . . . . 13 ALA HA . 7272 1 142 . 1 1 13 13 ALA HB1 H 1 1.546 0.001 . 1 . . . . 13 ALA HB . 7272 1 143 . 1 1 13 13 ALA HB2 H 1 1.546 0.001 . 1 . . . . 13 ALA HB . 7272 1 144 . 1 1 13 13 ALA HB3 H 1 1.546 0.001 . 1 . . . . 13 ALA HB . 7272 1 145 . 1 1 13 13 ALA C C 13 178.707 0.001 . 1 . . . . 13 ALA C . 7272 1 146 . 1 1 13 13 ALA CA C 13 54.299 0.025 . 1 . . . . 13 ALA CA . 7272 1 147 . 1 1 13 13 ALA CB C 13 19.211 0.066 . 1 . . . . 13 ALA CB . 7272 1 148 . 1 1 13 13 ALA N N 15 121.542 0.026 . 1 . . . . 13 ALA N . 7272 1 149 . 1 1 14 14 SER H H 1 7.120 0.004 . 1 . . . . 14 SER H . 7272 1 150 . 1 1 14 14 SER HA H 1 4.482 0.01 . 1 . . . . 14 SER HA . 7272 1 151 . 1 1 14 14 SER HB3 H 1 4.172 0.003 . 1 . . . . 14 SER HB3 . 7272 1 152 . 1 1 14 14 SER C C 13 173.484 0.002 . 1 . . . . 14 SER C . 7272 1 153 . 1 1 14 14 SER CA C 13 57.935 0.022 . 1 . . . . 14 SER CA . 7272 1 154 . 1 1 14 14 SER CB C 13 64.734 0.036 . 1 . . . . 14 SER CB . 7272 1 155 . 1 1 14 14 SER N N 15 108.518 0.031 . 1 . . . . 14 SER N . 7272 1 156 . 1 1 15 15 LEU H H 1 8.771 0.004 . 1 . . . . 15 LEU H . 7272 1 157 . 1 1 15 15 LEU HA H 1 3.202 0.012 . 1 . . . . 15 LEU HA . 7272 1 158 . 1 1 15 15 LEU HB2 H 1 0.852 0.009 . 2 . . . . 15 LEU HB2 . 7272 1 159 . 1 1 15 15 LEU HB3 H 1 0.865 0.01 . 2 . . . . 15 LEU HB3 . 7272 1 160 . 1 1 15 15 LEU HG H 1 0.722 0.009 . 1 . . . . 15 LEU HG . 7272 1 161 . 1 1 15 15 LEU HD11 H 1 -0.484 0.022 . 2 . . . . 15 LEU HD1 . 7272 1 162 . 1 1 15 15 LEU HD12 H 1 -0.484 0.022 . 2 . . . . 15 LEU HD1 . 7272 1 163 . 1 1 15 15 LEU HD13 H 1 -0.484 0.022 . 2 . . . . 15 LEU HD1 . 7272 1 164 . 1 1 15 15 LEU HD21 H 1 0.054 0.009 . 2 . . . . 15 LEU HD2 . 7272 1 165 . 1 1 15 15 LEU HD22 H 1 0.054 0.009 . 2 . . . . 15 LEU HD2 . 7272 1 166 . 1 1 15 15 LEU HD23 H 1 0.054 0.009 . 2 . . . . 15 LEU HD2 . 7272 1 167 . 1 1 15 15 LEU C C 13 177.820 0.003 . 1 . . . . 15 LEU C . 7272 1 168 . 1 1 15 15 LEU CA C 13 56.839 0.079 . 1 . . . . 15 LEU CA . 7272 1 169 . 1 1 15 15 LEU CB C 13 39.096 0.049 . 1 . . . . 15 LEU CB . 7272 1 170 . 1 1 15 15 LEU CG C 13 25.964 0.1 . 1 . . . . 15 LEU CG . 7272 1 171 . 1 1 15 15 LEU CD1 C 13 26.329 0.1 . 2 . . . . 15 LEU CD1 . 7272 1 172 . 1 1 15 15 LEU CD2 C 13 22.594 0.032 . 2 . . . . 15 LEU CD2 . 7272 1 173 . 1 1 15 15 LEU N N 15 123.903 0.035 . 1 . . . . 15 LEU N . 7272 1 174 . 1 1 16 16 GLU H H 1 9.785 0.029 . 1 . . . . 16 GLU H . 7272 1 175 . 1 1 16 16 GLU HA H 1 3.650 0.005 . 1 . . . . 16 GLU HA . 7272 1 176 . 1 1 16 16 GLU HB2 H 1 1.898 0.003 . 2 . . . . 16 GLU HB2 . 7272 1 177 . 1 1 16 16 GLU HB3 H 1 1.902 0.01 . 2 . . . . 16 GLU HB3 . 7272 1 178 . 1 1 16 16 GLU HG2 H 1 2.160 0.01 . 2 . . . . 16 GLU HG2 . 7272 1 179 . 1 1 16 16 GLU HG3 H 1 2.467 0.01 . 2 . . . . 16 GLU HG3 . 7272 1 180 . 1 1 16 16 GLU C C 13 178.679 0.002 . 1 . . . . 16 GLU C . 7272 1 181 . 1 1 16 16 GLU CA C 13 61.435 0.029 . 1 . . . . 16 GLU CA . 7272 1 182 . 1 1 16 16 GLU CB C 13 28.160 0.010 . 1 . . . . 16 GLU CB . 7272 1 183 . 1 1 16 16 GLU CG C 13 37.593 0.1 . 1 . . . . 16 GLU CG . 7272 1 184 . 1 1 16 16 GLU N N 15 118.401 0.043 . 1 . . . . 16 GLU N . 7272 1 185 . 1 1 17 17 ASN H H 1 7.691 0.005 . 1 . . . . 17 ASN H . 7272 1 186 . 1 1 17 17 ASN HA H 1 4.266 0.015 . 1 . . . . 17 ASN HA . 7272 1 187 . 1 1 17 17 ASN HB2 H 1 2.659 0.012 . 2 . . . . 17 ASN HB2 . 7272 1 188 . 1 1 17 17 ASN HB3 H 1 3.232 0.011 . 2 . . . . 17 ASN HB3 . 7272 1 189 . 1 1 17 17 ASN HD21 H 1 7.127 0.004 . 2 . . . . 17 ASN HD21 . 7272 1 190 . 1 1 17 17 ASN HD22 H 1 7.484 0.005 . 2 . . . . 17 ASN HD22 . 7272 1 191 . 1 1 17 17 ASN C C 13 178.132 0.033 . 1 . . . . 17 ASN C . 7272 1 192 . 1 1 17 17 ASN CA C 13 55.624 0.020 . 1 . . . . 17 ASN CA . 7272 1 193 . 1 1 17 17 ASN CB C 13 39.028 0.049 . 1 . . . . 17 ASN CB . 7272 1 194 . 1 1 17 17 ASN N N 15 116.497 0.036 . 1 . . . . 17 ASN N . 7272 1 195 . 1 1 17 17 ASN ND2 N 15 110.418 0.044 . 1 . . . . 17 ASN ND2 . 7272 1 196 . 1 1 18 18 LEU H H 1 7.459 0.003 . 1 . . . . 18 LEU H . 7272 1 197 . 1 1 18 18 LEU HA H 1 3.836 0.017 . 1 . . . . 18 LEU HA . 7272 1 198 . 1 1 18 18 LEU HB2 H 1 1.717 0.01 . 2 . . . . 18 LEU HB2 . 7272 1 199 . 1 1 18 18 LEU HB3 H 1 1.809 0.01 . 2 . . . . 18 LEU HB3 . 7272 1 200 . 1 1 18 18 LEU HG H 1 0.763 0.007 . 1 . . . . 18 LEU HG . 7272 1 201 . 1 1 18 18 LEU HD11 H 1 0.313 0.010 . 2 . . . . 18 LEU HD1 . 7272 1 202 . 1 1 18 18 LEU HD12 H 1 0.313 0.010 . 2 . . . . 18 LEU HD1 . 7272 1 203 . 1 1 18 18 LEU HD13 H 1 0.313 0.010 . 2 . . . . 18 LEU HD1 . 7272 1 204 . 1 1 18 18 LEU HD21 H 1 0.012 0.005 . 2 . . . . 18 LEU HD2 . 7272 1 205 . 1 1 18 18 LEU HD22 H 1 0.012 0.005 . 2 . . . . 18 LEU HD2 . 7272 1 206 . 1 1 18 18 LEU HD23 H 1 0.012 0.005 . 2 . . . . 18 LEU HD2 . 7272 1 207 . 1 1 18 18 LEU C C 13 177.055 0.012 . 1 . . . . 18 LEU C . 7272 1 208 . 1 1 18 18 LEU CA C 13 59.197 0.046 . 1 . . . . 18 LEU CA . 7272 1 209 . 1 1 18 18 LEU CB C 13 41.271 0.006 . 1 . . . . 18 LEU CB . 7272 1 210 . 1 1 18 18 LEU CG C 13 27.282 0.1 . 1 . . . . 18 LEU CG . 7272 1 211 . 1 1 18 18 LEU CD1 C 13 24.802 0.027 . 2 . . . . 18 LEU CD1 . 7272 1 212 . 1 1 18 18 LEU CD2 C 13 25.245 0.009 . 2 . . . . 18 LEU CD2 . 7272 1 213 . 1 1 18 18 LEU N N 15 121.826 0.032 . 1 . . . . 18 LEU N . 7272 1 214 . 1 1 19 19 LEU H H 1 7.698 0.003 . 1 . . . . 19 LEU H . 7272 1 215 . 1 1 19 19 LEU HA H 1 3.664 0.011 . 1 . . . . 19 LEU HA . 7272 1 216 . 1 1 19 19 LEU HB2 H 1 1.096 0.031 . 2 . . . . 19 LEU HB2 . 7272 1 217 . 1 1 19 19 LEU HB3 H 1 1.265 0.005 . 2 . . . . 19 LEU HB3 . 7272 1 218 . 1 1 19 19 LEU HG H 1 1.300 0.01 . 1 . . . . 19 LEU HG . 7272 1 219 . 1 1 19 19 LEU HD11 H 1 -0.528 0.007 . 2 . . . . 19 LEU HD1 . 7272 1 220 . 1 1 19 19 LEU HD12 H 1 -0.528 0.007 . 2 . . . . 19 LEU HD1 . 7272 1 221 . 1 1 19 19 LEU HD13 H 1 -0.528 0.007 . 2 . . . . 19 LEU HD1 . 7272 1 222 . 1 1 19 19 LEU HD21 H 1 0.371 0.009 . 2 . . . . 19 LEU HD2 . 7272 1 223 . 1 1 19 19 LEU HD22 H 1 0.371 0.009 . 2 . . . . 19 LEU HD2 . 7272 1 224 . 1 1 19 19 LEU HD23 H 1 0.371 0.009 . 2 . . . . 19 LEU HD2 . 7272 1 225 . 1 1 19 19 LEU C C 13 177.460 0.004 . 1 . . . . 19 LEU C . 7272 1 226 . 1 1 19 19 LEU CA C 13 56.059 0.054 . 1 . . . . 19 LEU CA . 7272 1 227 . 1 1 19 19 LEU CB C 13 40.442 0.068 . 1 . . . . 19 LEU CB . 7272 1 228 . 1 1 19 19 LEU CG C 13 25.711 0.1 . 1 . . . . 19 LEU CG . 7272 1 229 . 1 1 19 19 LEU CD1 C 13 23.923 0.049 . 2 . . . . 19 LEU CD1 . 7272 1 230 . 1 1 19 19 LEU CD2 C 13 21.841 0.048 . 2 . . . . 19 LEU CD2 . 7272 1 231 . 1 1 19 19 LEU N N 15 111.995 0.009 . 1 . . . . 19 LEU N . 7272 1 232 . 1 1 20 20 GLU H H 1 7.247 0.004 . 1 . . . . 20 GLU H . 7272 1 233 . 1 1 20 20 GLU HA H 1 4.235 0.015 . 1 . . . . 20 GLU HA . 7272 1 234 . 1 1 20 20 GLU HB2 H 1 2.107 0.006 . 2 . . . . 20 GLU HB2 . 7272 1 235 . 1 1 20 20 GLU HB3 H 1 2.111 0.009 . 2 . . . . 20 GLU HB3 . 7272 1 236 . 1 1 20 20 GLU HG2 H 1 2.448 0.009 . 1 . . . . 20 GLU HG2 . 7272 1 237 . 1 1 20 20 GLU HG3 H 1 2.448 0.009 . 1 . . . . 20 GLU HG3 . 7272 1 238 . 1 1 20 20 GLU C C 13 175.755 0.001 . 1 . . . . 20 GLU C . 7272 1 239 . 1 1 20 20 GLU CA C 13 56.150 0.1 . 1 . . . . 20 GLU CA . 7272 1 240 . 1 1 20 20 GLU CB C 13 30.207 0.049 . 1 . . . . 20 GLU CB . 7272 1 241 . 1 1 20 20 GLU CG C 13 36.255 0.015 . 1 . . . . 20 GLU CG . 7272 1 242 . 1 1 20 20 GLU N N 15 115.455 0.059 . 1 . . . . 20 GLU N . 7272 1 243 . 1 1 21 21 ASP H H 1 7.463 0.008 . 1 . . . . 21 ASP H . 7272 1 244 . 1 1 21 21 ASP HA H 1 5.230 0.008 . 1 . . . . 21 ASP HA . 7272 1 245 . 1 1 21 21 ASP HB2 H 1 2.784 0.01 . 2 . . . . 21 ASP HB2 . 7272 1 246 . 1 1 21 21 ASP HB3 H 1 3.183 0.01 . 2 . . . . 21 ASP HB3 . 7272 1 247 . 1 1 21 21 ASP C C 13 174.461 0.1 . 1 . . . . 21 ASP C . 7272 1 248 . 1 1 21 21 ASP CA C 13 50.196 0.002 . 1 . . . . 21 ASP CA . 7272 1 249 . 1 1 21 21 ASP CB C 13 43.733 0.1 . 1 . . . . 21 ASP CB . 7272 1 250 . 1 1 21 21 ASP N N 15 121.693 0.063 . 1 . . . . 21 ASP N . 7272 1 251 . 1 1 22 22 PRO HA H 1 4.220 0.006 . 1 . . . . 22 PRO HA . 7272 1 252 . 1 1 22 22 PRO HB2 H 1 2.078 0.01 . 2 . . . . 22 PRO HB2 . 7272 1 253 . 1 1 22 22 PRO HB3 H 1 2.471 0.026 . 2 . . . . 22 PRO HB3 . 7272 1 254 . 1 1 22 22 PRO HG2 H 1 2.250 0.01 . 1 . . . . 22 PRO HG2 . 7272 1 255 . 1 1 22 22 PRO C C 13 180.053 0.1 . 1 . . . . 22 PRO C . 7272 1 256 . 1 1 22 22 PRO CA C 13 65.300 0.1 . 1 . . . . 22 PRO CA . 7272 1 257 . 1 1 22 22 PRO CB C 13 32.495 0.1 . 1 . . . . 22 PRO CB . 7272 1 258 . 1 1 22 22 PRO CD C 13 50.829 0.1 . 1 . . . . 22 PRO CD . 7272 1 259 . 1 1 23 23 GLU H H 1 8.352 0.004 . 1 . . . . 23 GLU H . 7272 1 260 . 1 1 23 23 GLU HA H 1 4.161 0.002 . 1 . . . . 23 GLU HA . 7272 1 261 . 1 1 23 23 GLU HB2 H 1 2.315 0.019 . 2 . . . . 23 GLU HB2 . 7272 1 262 . 1 1 23 23 GLU HB3 H 1 2.330 0.008 . 2 . . . . 23 GLU HB3 . 7272 1 263 . 1 1 23 23 GLU HG2 H 1 2.491 0.003 . 2 . . . . 23 GLU HG2 . 7272 1 264 . 1 1 23 23 GLU HG3 H 1 2.517 0.023 . 2 . . . . 23 GLU HG3 . 7272 1 265 . 1 1 23 23 GLU C C 13 178.652 0.1 . 1 . . . . 23 GLU C . 7272 1 266 . 1 1 23 23 GLU CA C 13 58.447 0.1 . 1 . . . . 23 GLU CA . 7272 1 267 . 1 1 23 23 GLU CB C 13 29.165 0.247 . 1 . . . . 23 GLU CB . 7272 1 268 . 1 1 23 23 GLU CG C 13 36.018 0.1 . 1 . . . . 23 GLU CG . 7272 1 269 . 1 1 23 23 GLU N N 15 117.336 0.053 . 1 . . . . 23 GLU N . 7272 1 270 . 1 1 24 24 GLY H H 1 7.643 0.010 . 1 . . . . 24 GLY H . 7272 1 271 . 1 1 24 24 GLY HA2 H 1 1.976 0.008 . 2 . . . . 24 GLY HA2 . 7272 1 272 . 1 1 24 24 GLY HA3 H 1 2.602 0.017 . 2 . . . . 24 GLY HA3 . 7272 1 273 . 1 1 24 24 GLY C C 13 175.569 0.015 . 1 . . . . 24 GLY C . 7272 1 274 . 1 1 24 24 GLY CA C 13 46.280 0.118 . 1 . . . . 24 GLY CA . 7272 1 275 . 1 1 24 24 GLY N N 15 111.103 0.040 . 1 . . . . 24 GLY N . 7272 1 276 . 1 1 25 25 VAL H H 1 8.423 0.008 . 1 . . . . 25 VAL H . 7272 1 277 . 1 1 25 25 VAL HA H 1 3.195 0.014 . 1 . . . . 25 VAL HA . 7272 1 278 . 1 1 25 25 VAL HB H 1 2.048 0.017 . 1 . . . . 25 VAL HB . 7272 1 279 . 1 1 25 25 VAL HG11 H 1 0.891 0.011 . 2 . . . . 25 VAL HG1 . 7272 1 280 . 1 1 25 25 VAL HG12 H 1 0.891 0.011 . 2 . . . . 25 VAL HG1 . 7272 1 281 . 1 1 25 25 VAL HG13 H 1 0.891 0.011 . 2 . . . . 25 VAL HG1 . 7272 1 282 . 1 1 25 25 VAL HG21 H 1 1.059 0.012 . 2 . . . . 25 VAL HG2 . 7272 1 283 . 1 1 25 25 VAL HG22 H 1 1.059 0.012 . 2 . . . . 25 VAL HG2 . 7272 1 284 . 1 1 25 25 VAL HG23 H 1 1.059 0.012 . 2 . . . . 25 VAL HG2 . 7272 1 285 . 1 1 25 25 VAL C C 13 177.691 0.041 . 1 . . . . 25 VAL C . 7272 1 286 . 1 1 25 25 VAL CA C 13 67.387 0.087 . 1 . . . . 25 VAL CA . 7272 1 287 . 1 1 25 25 VAL CB C 13 31.539 0.012 . 1 . . . . 25 VAL CB . 7272 1 288 . 1 1 25 25 VAL CG1 C 13 21.960 0.068 . 2 . . . . 25 VAL CG1 . 7272 1 289 . 1 1 25 25 VAL CG2 C 13 24.940 0.024 . 2 . . . . 25 VAL CG2 . 7272 1 290 . 1 1 25 25 VAL N N 15 122.064 0.067 . 1 . . . . 25 VAL N . 7272 1 291 . 1 1 26 26 LYS H H 1 7.455 0.004 . 1 . . . . 26 LYS H . 7272 1 292 . 1 1 26 26 LYS HA H 1 3.827 0.003 . 1 . . . . 26 LYS HA . 7272 1 293 . 1 1 26 26 LYS HB2 H 1 1.916 0.003 . 2 . . . . 26 LYS HB2 . 7272 1 294 . 1 1 26 26 LYS HB3 H 1 1.920 0.01 . 2 . . . . 26 LYS HB3 . 7272 1 295 . 1 1 26 26 LYS HG2 H 1 1.397 0.003 . 2 . . . . 26 LYS HG2 . 7272 1 296 . 1 1 26 26 LYS HG3 H 1 1.589 0.01 . 2 . . . . 26 LYS HG3 . 7272 1 297 . 1 1 26 26 LYS HD2 H 1 1.618 0.01 . 1 . . . . 26 LYS HD2 . 7272 1 298 . 1 1 26 26 LYS HD3 H 1 1.618 0.01 . 1 . . . . 26 LYS HD3 . 7272 1 299 . 1 1 26 26 LYS HE2 H 1 2.964 0.01 . 2 . . . . 26 LYS HE2 . 7272 1 300 . 1 1 26 26 LYS HE3 H 1 3.037 0.01 . 2 . . . . 26 LYS HE3 . 7272 1 301 . 1 1 26 26 LYS C C 13 179.418 0.001 . 1 . . . . 26 LYS C . 7272 1 302 . 1 1 26 26 LYS CA C 13 60.224 0.059 . 1 . . . . 26 LYS CA . 7272 1 303 . 1 1 26 26 LYS CB C 13 32.457 0.018 . 1 . . . . 26 LYS CB . 7272 1 304 . 1 1 26 26 LYS CG C 13 24.997 0.1 . 1 . . . . 26 LYS CG . 7272 1 305 . 1 1 26 26 LYS CD C 13 24.997 0.1 . 1 . . . . 26 LYS CD . 7272 1 306 . 1 1 26 26 LYS CE C 13 42.120 0.1 . 1 . . . . 26 LYS CE . 7272 1 307 . 1 1 26 26 LYS N N 15 118.759 0.088 . 1 . . . . 26 LYS N . 7272 1 308 . 1 1 27 27 ARG H H 1 7.532 0.009 . 1 . . . . 27 ARG H . 7272 1 309 . 1 1 27 27 ARG HA H 1 4.257 0.016 . 1 . . . . 27 ARG HA . 7272 1 310 . 1 1 27 27 ARG HB2 H 1 1.917 0.01 . 2 . . . . 27 ARG HB2 . 7272 1 311 . 1 1 27 27 ARG HB3 H 1 2.049 0.015 . 2 . . . . 27 ARG HB3 . 7272 1 312 . 1 1 27 27 ARG HG2 H 1 1.923 0.007 . 2 . . . . 27 ARG HG2 . 7272 1 313 . 1 1 27 27 ARG HG3 H 1 1.973 0.010 . 2 . . . . 27 ARG HG3 . 7272 1 314 . 1 1 27 27 ARG HD2 H 1 3.300 0.016 . 2 . . . . 27 ARG HD2 . 7272 1 315 . 1 1 27 27 ARG HD3 H 1 3.319 0.026 . 2 . . . . 27 ARG HD3 . 7272 1 316 . 1 1 27 27 ARG HH12 H 1 7.724 0.01 . 1 . . . . 27 ARG HH12 . 7272 1 317 . 1 1 27 27 ARG HE H 1 7.724 0.01 . 1 . . . . 27 ARG HE . 7272 1 318 . 1 1 27 27 ARG C C 13 178.281 0.004 . 1 . . . . 27 ARG C . 7272 1 319 . 1 1 27 27 ARG CA C 13 58.230 0.033 . 1 . . . . 27 ARG CA . 7272 1 320 . 1 1 27 27 ARG CB C 13 29.893 0.060 . 1 . . . . 27 ARG CB . 7272 1 321 . 1 1 27 27 ARG CG C 13 27.518 0.1 . 1 . . . . 27 ARG CG . 7272 1 322 . 1 1 27 27 ARG CD C 13 43.007 0.015 . 1 . . . . 27 ARG CD . 7272 1 323 . 1 1 27 27 ARG N N 15 118.056 0.024 . 1 . . . . 27 ARG N . 7272 1 324 . 1 1 28 28 PHE H H 1 8.696 0.017 . 1 . . . . 28 PHE H . 7272 1 325 . 1 1 28 28 PHE HA H 1 3.859 0.018 . 1 . . . . 28 PHE HA . 7272 1 326 . 1 1 28 28 PHE HB2 H 1 2.440 0.065 . 2 . . . . 28 PHE HB2 . 7272 1 327 . 1 1 28 28 PHE HB3 H 1 2.567 0.01 . 2 . . . . 28 PHE HB3 . 7272 1 328 . 1 1 28 28 PHE HD1 H 1 6.311 0.006 . 1 . . . . 28 PHE HD . 7272 1 329 . 1 1 28 28 PHE HD2 H 1 6.311 0.006 . 1 . . . . 28 PHE HD . 7272 1 330 . 1 1 28 28 PHE HE1 H 1 7.113 0.011 . 1 . . . . 28 PHE HE . 7272 1 331 . 1 1 28 28 PHE HE2 H 1 7.113 0.011 . 1 . . . . 28 PHE HE . 7272 1 332 . 1 1 28 28 PHE HZ H 1 6.668 0.002 . 1 . . . . 28 PHE HZ . 7272 1 333 . 1 1 28 28 PHE C C 13 178.026 0.008 . 1 . . . . 28 PHE C . 7272 1 334 . 1 1 28 28 PHE CA C 13 58.092 0.083 . 1 . . . . 28 PHE CA . 7272 1 335 . 1 1 28 28 PHE CB C 13 39.756 0.012 . 1 . . . . 28 PHE CB . 7272 1 336 . 1 1 28 28 PHE CD1 C 13 131.028 0.087 . 1 . . . . 28 PHE CD . 7272 1 337 . 1 1 28 28 PHE CD2 C 13 131.028 0.087 . 1 . . . . 28 PHE CD . 7272 1 338 . 1 1 28 28 PHE CE1 C 13 130.455 0.006 . 1 . . . . 28 PHE CE . 7272 1 339 . 1 1 28 28 PHE CE2 C 13 130.455 0.006 . 1 . . . . 28 PHE CE . 7272 1 340 . 1 1 28 28 PHE CZ C 13 130.626 0.1 . 1 . . . . 28 PHE CZ . 7272 1 341 . 1 1 28 28 PHE N N 15 121.438 0.046 . 1 . . . . 28 PHE N . 7272 1 342 . 1 1 29 29 ARG H H 1 9.018 0.009 . 1 . . . . 29 ARG H . 7272 1 343 . 1 1 29 29 ARG HA H 1 3.554 0.016 . 1 . . . . 29 ARG HA . 7272 1 344 . 1 1 29 29 ARG HB2 H 1 1.920 0.010 . 2 . . . . 29 ARG HB2 . 7272 1 345 . 1 1 29 29 ARG HB3 H 1 2.241 0.013 . 2 . . . . 29 ARG HB3 . 7272 1 346 . 1 1 29 29 ARG HG2 H 1 1.403 0.01 . 2 . . . . 29 ARG HG2 . 7272 1 347 . 1 1 29 29 ARG HG3 H 1 1.720 0.01 . 2 . . . . 29 ARG HG3 . 7272 1 348 . 1 1 29 29 ARG HD2 H 1 2.949 0.007 . 1 . . . . 29 ARG HD2 . 7272 1 349 . 1 1 29 29 ARG HD3 H 1 2.949 0.007 . 1 . . . . 29 ARG HD3 . 7272 1 350 . 1 1 29 29 ARG C C 13 177.737 0.005 . 1 . . . . 29 ARG C . 7272 1 351 . 1 1 29 29 ARG CA C 13 60.969 0.023 . 1 . . . . 29 ARG CA . 7272 1 352 . 1 1 29 29 ARG CB C 13 30.487 0.050 . 1 . . . . 29 ARG CB . 7272 1 353 . 1 1 29 29 ARG CD C 13 44.113 0.1 . 1 . . . . 29 ARG CD . 7272 1 354 . 1 1 29 29 ARG N N 15 117.745 0.058 . 1 . . . . 29 ARG N . 7272 1 355 . 1 1 30 30 GLU H H 1 7.463 0.010 . 1 . . . . 30 GLU H . 7272 1 356 . 1 1 30 30 GLU HA H 1 3.880 0.012 . 1 . . . . 30 GLU HA . 7272 1 357 . 1 1 30 30 GLU HB2 H 1 2.198 0.01 . 2 . . . . 30 GLU HB2 . 7272 1 358 . 1 1 30 30 GLU HB3 H 1 2.288 0.010 . 2 . . . . 30 GLU HB3 . 7272 1 359 . 1 1 30 30 GLU HG2 H 1 2.283 0.010 . 2 . . . . 30 GLU HG2 . 7272 1 360 . 1 1 30 30 GLU HG3 H 1 2.478 0.007 . 2 . . . . 30 GLU HG3 . 7272 1 361 . 1 1 30 30 GLU C C 13 178.872 0.009 . 1 . . . . 30 GLU C . 7272 1 362 . 1 1 30 30 GLU CA C 13 59.660 0.004 . 1 . . . . 30 GLU CA . 7272 1 363 . 1 1 30 30 GLU CB C 13 29.251 0.048 . 1 . . . . 30 GLU CB . 7272 1 364 . 1 1 30 30 GLU CG C 13 36.276 0.037 . 1 . . . . 30 GLU CG . 7272 1 365 . 1 1 30 30 GLU N N 15 118.160 0.076 . 1 . . . . 30 GLU N . 7272 1 366 . 1 1 31 31 PHE H H 1 7.808 0.010 . 1 . . . . 31 PHE H . 7272 1 367 . 1 1 31 31 PHE HA H 1 4.128 0.005 . 1 . . . . 31 PHE HA . 7272 1 368 . 1 1 31 31 PHE HB2 H 1 3.460 0.004 . 2 . . . . 31 PHE HB2 . 7272 1 369 . 1 1 31 31 PHE HB3 H 1 3.470 0.009 . 2 . . . . 31 PHE HB3 . 7272 1 370 . 1 1 31 31 PHE HD1 H 1 7.269 0.013 . 1 . . . . 31 PHE HD . 7272 1 371 . 1 1 31 31 PHE HD2 H 1 7.269 0.013 . 1 . . . . 31 PHE HD . 7272 1 372 . 1 1 31 31 PHE HE1 H 1 7.447 0.001 . 1 . . . . 31 PHE HE . 7272 1 373 . 1 1 31 31 PHE HE2 H 1 7.447 0.001 . 1 . . . . 31 PHE HE . 7272 1 374 . 1 1 31 31 PHE C C 13 177.363 0.011 . 1 . . . . 31 PHE C . 7272 1 375 . 1 1 31 31 PHE CA C 13 61.528 0.038 . 1 . . . . 31 PHE CA . 7272 1 376 . 1 1 31 31 PHE CB C 13 40.069 0.021 . 1 . . . . 31 PHE CB . 7272 1 377 . 1 1 31 31 PHE CD1 C 13 131.816 0.1 . 1 . . . . 31 PHE CD . 7272 1 378 . 1 1 31 31 PHE CD2 C 13 131.816 0.1 . 1 . . . . 31 PHE CD . 7272 1 379 . 1 1 31 31 PHE CE1 C 13 131.567 0.018 . 1 . . . . 31 PHE CE . 7272 1 380 . 1 1 31 31 PHE CE2 C 13 131.567 0.018 . 1 . . . . 31 PHE CE . 7272 1 381 . 1 1 31 31 PHE N N 15 120.417 0.046 . 1 . . . . 31 PHE N . 7272 1 382 . 1 1 32 32 LEU H H 1 8.600 0.006 . 1 . . . . 32 LEU H . 7272 1 383 . 1 1 32 32 LEU HA H 1 3.613 0.024 . 1 . . . . 32 LEU HA . 7272 1 384 . 1 1 32 32 LEU HB2 H 1 1.454 0.005 . 2 . . . . 32 LEU HB2 . 7272 1 385 . 1 1 32 32 LEU HB3 H 1 1.465 0.009 . 2 . . . . 32 LEU HB3 . 7272 1 386 . 1 1 32 32 LEU HG H 1 1.017 0.018 . 1 . . . . 32 LEU HG . 7272 1 387 . 1 1 32 32 LEU HD11 H 1 0.130 0.006 . 2 . . . . 32 LEU HD1 . 7272 1 388 . 1 1 32 32 LEU HD12 H 1 0.130 0.006 . 2 . . . . 32 LEU HD1 . 7272 1 389 . 1 1 32 32 LEU HD13 H 1 0.130 0.006 . 2 . . . . 32 LEU HD1 . 7272 1 390 . 1 1 32 32 LEU HD21 H 1 0.647 0.010 . 2 . . . . 32 LEU HD2 . 7272 1 391 . 1 1 32 32 LEU HD22 H 1 0.647 0.010 . 2 . . . . 32 LEU HD2 . 7272 1 392 . 1 1 32 32 LEU HD23 H 1 0.647 0.010 . 2 . . . . 32 LEU HD2 . 7272 1 393 . 1 1 32 32 LEU C C 13 180.664 0.008 . 1 . . . . 32 LEU C . 7272 1 394 . 1 1 32 32 LEU CA C 13 56.726 0.057 . 1 . . . . 32 LEU CA . 7272 1 395 . 1 1 32 32 LEU CB C 13 41.161 0.065 . 1 . . . . 32 LEU CB . 7272 1 396 . 1 1 32 32 LEU CG C 13 26.310 0.135 . 1 . . . . 32 LEU CG . 7272 1 397 . 1 1 32 32 LEU CD1 C 13 26.064 0.036 . 2 . . . . 32 LEU CD1 . 7272 1 398 . 1 1 32 32 LEU CD2 C 13 21.670 0.140 . 2 . . . . 32 LEU CD2 . 7272 1 399 . 1 1 32 32 LEU N N 15 118.873 0.036 . 1 . . . . 32 LEU N . 7272 1 400 . 1 1 33 33 LYS H H 1 8.720 0.007 . 1 . . . . 33 LYS H . 7272 1 401 . 1 1 33 33 LYS HA H 1 3.857 0.028 . 1 . . . . 33 LYS HA . 7272 1 402 . 1 1 33 33 LYS HB2 H 1 1.803 0.009 . 2 . . . . 33 LYS HB2 . 7272 1 403 . 1 1 33 33 LYS HB3 H 1 1.815 0.006 . 2 . . . . 33 LYS HB3 . 7272 1 404 . 1 1 33 33 LYS HG2 H 1 1.344 0.01 . 2 . . . . 33 LYS HG2 . 7272 1 405 . 1 1 33 33 LYS HG3 H 1 1.452 0.01 . 2 . . . . 33 LYS HG3 . 7272 1 406 . 1 1 33 33 LYS HD3 H 1 1.643 0.01 . 1 . . . . 33 LYS HD3 . 7272 1 407 . 1 1 33 33 LYS HE2 H 1 2.945 0.01 . 2 . . . . 33 LYS HE2 . 7272 1 408 . 1 1 33 33 LYS HE3 H 1 3.027 0.01 . 2 . . . . 33 LYS HE3 . 7272 1 409 . 1 1 33 33 LYS C C 13 179.928 0.002 . 1 . . . . 33 LYS C . 7272 1 410 . 1 1 33 33 LYS CA C 13 59.819 0.059 . 1 . . . . 33 LYS CA . 7272 1 411 . 1 1 33 33 LYS CB C 13 32.253 0.001 . 1 . . . . 33 LYS CB . 7272 1 412 . 1 1 33 33 LYS CG C 13 25.251 0.1 . 1 . . . . 33 LYS CG . 7272 1 413 . 1 1 33 33 LYS CD C 13 29.783 0.1 . 1 . . . . 33 LYS CD . 7272 1 414 . 1 1 33 33 LYS CE C 13 42.132 0.1 . 1 . . . . 33 LYS CE . 7272 1 415 . 1 1 33 33 LYS N N 15 121.439 0.025 . 1 . . . . 33 LYS N . 7272 1 416 . 1 1 34 34 LYS H H 1 7.095 0.005 . 1 . . . . 34 LYS H . 7272 1 417 . 1 1 34 34 LYS HA H 1 3.806 0.001 . 1 . . . . 34 LYS HA . 7272 1 418 . 1 1 34 34 LYS HB2 H 1 1.798 0.003 . 2 . . . . 34 LYS HB2 . 7272 1 419 . 1 1 34 34 LYS HB3 H 1 1.806 0.007 . 2 . . . . 34 LYS HB3 . 7272 1 420 . 1 1 34 34 LYS HG2 H 1 1.414 0.01 . 2 . . . . 34 LYS HG2 . 7272 1 421 . 1 1 34 34 LYS HG3 H 1 1.615 0.01 . 2 . . . . 34 LYS HG3 . 7272 1 422 . 1 1 34 34 LYS HE2 H 1 2.962 0.01 . 1 . . . . 34 LYS HE2 . 7272 1 423 . 1 1 34 34 LYS HE3 H 1 2.962 0.01 . 1 . . . . 34 LYS HE3 . 7272 1 424 . 1 1 34 34 LYS C C 13 176.298 0.004 . 1 . . . . 34 LYS C . 7272 1 425 . 1 1 34 34 LYS CA C 13 58.237 0.018 . 1 . . . . 34 LYS CA . 7272 1 426 . 1 1 34 34 LYS CB C 13 31.947 0.029 . 1 . . . . 34 LYS CB . 7272 1 427 . 1 1 34 34 LYS CG C 13 25.249 0.1 . 1 . . . . 34 LYS CG . 7272 1 428 . 1 1 34 34 LYS CD C 13 29.407 0.1 . 1 . . . . 34 LYS CD . 7272 1 429 . 1 1 34 34 LYS CE C 13 42.199 0.1 . 1 . . . . 34 LYS CE . 7272 1 430 . 1 1 34 34 LYS N N 15 117.840 0.036 . 1 . . . . 34 LYS N . 7272 1 431 . 1 1 35 35 GLU H H 1 6.949 0.005 . 1 . . . . 35 GLU H . 7272 1 432 . 1 1 35 35 GLU HA H 1 4.404 0.012 . 1 . . . . 35 GLU HA . 7272 1 433 . 1 1 35 35 GLU HB2 H 1 1.809 0.017 . 2 . . . . 35 GLU HB2 . 7272 1 434 . 1 1 35 35 GLU HB3 H 1 1.951 0.001 . 2 . . . . 35 GLU HB3 . 7272 1 435 . 1 1 35 35 GLU HG2 H 1 1.821 0.01 . 2 . . . . 35 GLU HG2 . 7272 1 436 . 1 1 35 35 GLU HG3 H 1 1.933 0.01 . 2 . . . . 35 GLU HG3 . 7272 1 437 . 1 1 35 35 GLU C C 13 175.039 0.024 . 1 . . . . 35 GLU C . 7272 1 438 . 1 1 35 35 GLU CA C 13 54.050 0.006 . 1 . . . . 35 GLU CA . 7272 1 439 . 1 1 35 35 GLU CB C 13 29.696 0.001 . 1 . . . . 35 GLU CB . 7272 1 440 . 1 1 35 35 GLU CG C 13 35.655 0.1 . 1 . . . . 35 GLU CG . 7272 1 441 . 1 1 35 35 GLU N N 15 112.862 0.029 . 1 . . . . 35 GLU N . 7272 1 442 . 1 1 36 36 PHE H H 1 7.424 0.004 . 1 . . . . 36 PHE H . 7272 1 443 . 1 1 36 36 PHE HA H 1 4.420 0.003 . 1 . . . . 36 PHE HA . 7272 1 444 . 1 1 36 36 PHE HB2 H 1 3.184 0.003 . 2 . . . . 36 PHE HB2 . 7272 1 445 . 1 1 36 36 PHE HB3 H 1 3.364 0.010 . 2 . . . . 36 PHE HB3 . 7272 1 446 . 1 1 36 36 PHE HD1 H 1 7.202 0.006 . 1 . . . . 36 PHE HD . 7272 1 447 . 1 1 36 36 PHE HD2 H 1 7.202 0.006 . 1 . . . . 36 PHE HD . 7272 1 448 . 1 1 36 36 PHE HE1 H 1 7.356 0.001 . 1 . . . . 36 PHE HE . 7272 1 449 . 1 1 36 36 PHE HE2 H 1 7.356 0.001 . 1 . . . . 36 PHE HE . 7272 1 450 . 1 1 36 36 PHE HZ H 1 7.362 0.01 . 1 . . . . 36 PHE HZ . 7272 1 451 . 1 1 36 36 PHE C C 13 175.974 0.001 . 1 . . . . 36 PHE C . 7272 1 452 . 1 1 36 36 PHE CA C 13 58.745 0.034 . 1 . . . . 36 PHE CA . 7272 1 453 . 1 1 36 36 PHE CB C 13 36.065 0.039 . 1 . . . . 36 PHE CB . 7272 1 454 . 1 1 36 36 PHE CD1 C 13 131.499 0.032 . 1 . . . . 36 PHE CD . 7272 1 455 . 1 1 36 36 PHE CD2 C 13 131.499 0.032 . 1 . . . . 36 PHE CD . 7272 1 456 . 1 1 36 36 PHE CE1 C 13 132.049 0.113 . 1 . . . . 36 PHE CE . 7272 1 457 . 1 1 36 36 PHE CE2 C 13 132.049 0.113 . 1 . . . . 36 PHE CE . 7272 1 458 . 1 1 36 36 PHE CZ C 13 130.603 0.1 . 1 . . . . 36 PHE CZ . 7272 1 459 . 1 1 36 36 PHE N N 15 117.602 0.026 . 1 . . . . 36 PHE N . 7272 1 460 . 1 1 37 37 SER H H 1 7.966 0.005 . 1 . . . . 37 SER H . 7272 1 461 . 1 1 37 37 SER HA H 1 5.068 0.002 . 1 . . . . 37 SER HA . 7272 1 462 . 1 1 37 37 SER HB2 H 1 3.730 0.01 . 2 . . . . 37 SER HB2 . 7272 1 463 . 1 1 37 37 SER HB3 H 1 3.917 0.032 . 2 . . . . 37 SER HB3 . 7272 1 464 . 1 1 37 37 SER C C 13 175.505 0.1 . 1 . . . . 37 SER C . 7272 1 465 . 1 1 37 37 SER CA C 13 57.206 0.002 . 1 . . . . 37 SER CA . 7272 1 466 . 1 1 37 37 SER CB C 13 65.311 0.031 . 1 . . . . 37 SER CB . 7272 1 467 . 1 1 37 37 SER N N 15 111.474 0.022 . 1 . . . . 37 SER N . 7272 1 468 . 1 1 38 38 GLU H H 1 8.539 0.008 . 1 . . . . 38 GLU H . 7272 1 469 . 1 1 38 38 GLU HA H 1 3.593 0.01 . 1 . . . . 38 GLU HA . 7272 1 470 . 1 1 38 38 GLU HB2 H 1 1.649 0.01 . 2 . . . . 38 GLU HB2 . 7272 1 471 . 1 1 38 38 GLU HB3 H 1 2.058 0.030 . 2 . . . . 38 GLU HB3 . 7272 1 472 . 1 1 38 38 GLU HG2 H 1 2.346 0.01 . 1 . . . . 38 GLU HG2 . 7272 1 473 . 1 1 38 38 GLU HG3 H 1 2.346 0.01 . 1 . . . . 38 GLU HG3 . 7272 1 474 . 1 1 38 38 GLU C C 13 177.280 0.004 . 1 . . . . 38 GLU C . 7272 1 475 . 1 1 38 38 GLU CA C 13 58.995 0.082 . 1 . . . . 38 GLU CA . 7272 1 476 . 1 1 38 38 GLU CB C 13 30.517 0.010 . 1 . . . . 38 GLU CB . 7272 1 477 . 1 1 38 38 GLU CG C 13 37.091 0.1 . 1 . . . . 38 GLU CG . 7272 1 478 . 1 1 38 38 GLU N N 15 124.018 0.027 . 1 . . . . 38 GLU N . 7272 1 479 . 1 1 39 39 GLU H H 1 10.130 0.021 . 1 . . . . 39 GLU H . 7272 1 480 . 1 1 39 39 GLU HA H 1 3.996 0.011 . 1 . . . . 39 GLU HA . 7272 1 481 . 1 1 39 39 GLU HB2 H 1 2.236 0.01 . 2 . . . . 39 GLU HB2 . 7272 1 482 . 1 1 39 39 GLU HB3 H 1 2.440 0.007 . 2 . . . . 39 GLU HB3 . 7272 1 483 . 1 1 39 39 GLU C C 13 176.680 0.009 . 1 . . . . 39 GLU C . 7272 1 484 . 1 1 39 39 GLU CA C 13 60.443 0.019 . 1 . . . . 39 GLU CA . 7272 1 485 . 1 1 39 39 GLU CB C 13 28.345 0.168 . 1 . . . . 39 GLU CB . 7272 1 486 . 1 1 39 39 GLU CG C 13 36.487 0.1 . 1 . . . . 39 GLU CG . 7272 1 487 . 1 1 39 39 GLU N N 15 117.590 0.032 . 1 . . . . 39 GLU N . 7272 1 488 . 1 1 40 40 ASN H H 1 7.644 0.004 . 1 . . . . 40 ASN H . 7272 1 489 . 1 1 40 40 ASN HA H 1 4.496 0.010 . 1 . . . . 40 ASN HA . 7272 1 490 . 1 1 40 40 ASN HB2 H 1 2.755 0.029 . 1 . . . . 40 ASN HB2 . 7272 1 491 . 1 1 40 40 ASN HB3 H 1 2.755 0.029 . 1 . . . . 40 ASN HB3 . 7272 1 492 . 1 1 40 40 ASN HD21 H 1 7.047 0.003 . 2 . . . . 40 ASN HD21 . 7272 1 493 . 1 1 40 40 ASN HD22 H 1 7.364 0.007 . 2 . . . . 40 ASN HD22 . 7272 1 494 . 1 1 40 40 ASN C C 13 176.664 0.1 . 1 . . . . 40 ASN C . 7272 1 495 . 1 1 40 40 ASN CA C 13 56.597 0.026 . 1 . . . . 40 ASN CA . 7272 1 496 . 1 1 40 40 ASN CB C 13 38.057 0.015 . 1 . . . . 40 ASN CB . 7272 1 497 . 1 1 40 40 ASN N N 15 117.696 0.073 . 1 . . . . 40 ASN N . 7272 1 498 . 1 1 40 40 ASN ND2 N 15 108.980 0.041 . 1 . . . . 40 ASN ND2 . 7272 1 499 . 1 1 41 41 VAL H H 1 6.848 0.006 . 1 . . . . 41 VAL H . 7272 1 500 . 1 1 41 41 VAL HA H 1 4.126 0.013 . 1 . . . . 41 VAL HA . 7272 1 501 . 1 1 41 41 VAL HB H 1 1.898 0.020 . 1 . . . . 41 VAL HB . 7272 1 502 . 1 1 41 41 VAL HG11 H 1 0.995 0.009 . 2 . . . . 41 VAL HG1 . 7272 1 503 . 1 1 41 41 VAL HG12 H 1 0.995 0.009 . 2 . . . . 41 VAL HG1 . 7272 1 504 . 1 1 41 41 VAL HG13 H 1 0.995 0.009 . 2 . . . . 41 VAL HG1 . 7272 1 505 . 1 1 41 41 VAL HG21 H 1 0.996 0.009 . 2 . . . . 41 VAL HG2 . 7272 1 506 . 1 1 41 41 VAL HG22 H 1 0.996 0.009 . 2 . . . . 41 VAL HG2 . 7272 1 507 . 1 1 41 41 VAL HG23 H 1 0.996 0.009 . 2 . . . . 41 VAL HG2 . 7272 1 508 . 1 1 41 41 VAL C C 13 176.512 0.012 . 1 . . . . 41 VAL C . 7272 1 509 . 1 1 41 41 VAL CA C 13 63.795 0.041 . 1 . . . . 41 VAL CA . 7272 1 510 . 1 1 41 41 VAL CB C 13 31.672 0.025 . 1 . . . . 41 VAL CB . 7272 1 511 . 1 1 41 41 VAL CG1 C 13 21.603 0.026 . 1 . . . . 41 VAL CG1 . 7272 1 512 . 1 1 41 41 VAL CG2 C 13 21.603 0.026 . 1 . . . . 41 VAL CG2 . 7272 1 513 . 1 1 41 41 VAL N N 15 117.002 0.019 . 1 . . . . 41 VAL N . 7272 1 514 . 1 1 42 42 LEU H H 1 7.689 0.013 . 1 . . . . 42 LEU H . 7272 1 515 . 1 1 42 42 LEU HA H 1 4.124 0.018 . 1 . . . . 42 LEU HA . 7272 1 516 . 1 1 42 42 LEU HB2 H 1 1.698 0.015 . 2 . . . . 42 LEU HB2 . 7272 1 517 . 1 1 42 42 LEU HB3 H 1 1.993 0.014 . 2 . . . . 42 LEU HB3 . 7272 1 518 . 1 1 42 42 LEU HG H 1 1.708 0.011 . 1 . . . . 42 LEU HG . 7272 1 519 . 1 1 42 42 LEU HD11 H 1 0.805 0.006 . 2 . . . . 42 LEU HD1 . 7272 1 520 . 1 1 42 42 LEU HD12 H 1 0.805 0.006 . 2 . . . . 42 LEU HD1 . 7272 1 521 . 1 1 42 42 LEU HD13 H 1 0.805 0.006 . 2 . . . . 42 LEU HD1 . 7272 1 522 . 1 1 42 42 LEU HD21 H 1 0.882 0.004 . 2 . . . . 42 LEU HD2 . 7272 1 523 . 1 1 42 42 LEU HD22 H 1 0.882 0.004 . 2 . . . . 42 LEU HD2 . 7272 1 524 . 1 1 42 42 LEU HD23 H 1 0.882 0.004 . 2 . . . . 42 LEU HD2 . 7272 1 525 . 1 1 42 42 LEU C C 13 179.731 0.004 . 1 . . . . 42 LEU C . 7272 1 526 . 1 1 42 42 LEU CA C 13 58.009 0.068 . 1 . . . . 42 LEU CA . 7272 1 527 . 1 1 42 42 LEU CB C 13 40.608 0.042 . 1 . . . . 42 LEU CB . 7272 1 528 . 1 1 42 42 LEU CD1 C 13 20.801 0.007 . 1 . . . . 42 LEU CD1 . 7272 1 529 . 1 1 42 42 LEU N N 15 122.123 0.015 . 1 . . . . 42 LEU N . 7272 1 530 . 1 1 43 43 PHE H H 1 8.503 0.004 . 1 . . . . 43 PHE H . 7272 1 531 . 1 1 43 43 PHE HA H 1 3.044 0.012 . 1 . . . . 43 PHE HA . 7272 1 532 . 1 1 43 43 PHE HB2 H 1 2.415 0.017 . 2 . . . . 43 PHE HB2 . 7272 1 533 . 1 1 43 43 PHE HB3 H 1 2.763 0.005 . 2 . . . . 43 PHE HB3 . 7272 1 534 . 1 1 43 43 PHE HD1 H 1 6.675 0.017 . 1 . . . . 43 PHE HD . 7272 1 535 . 1 1 43 43 PHE HD2 H 1 6.675 0.017 . 1 . . . . 43 PHE HD . 7272 1 536 . 1 1 43 43 PHE C C 13 176.312 0.003 . 1 . . . . 43 PHE C . 7272 1 537 . 1 1 43 43 PHE CA C 13 60.331 0.021 . 1 . . . . 43 PHE CA . 7272 1 538 . 1 1 43 43 PHE CB C 13 38.982 0.038 . 1 . . . . 43 PHE CB . 7272 1 539 . 1 1 43 43 PHE CD1 C 13 131.583 0.034 . 1 . . . . 43 PHE CD . 7272 1 540 . 1 1 43 43 PHE CD2 C 13 131.583 0.034 . 1 . . . . 43 PHE CD . 7272 1 541 . 1 1 43 43 PHE N N 15 121.270 0.046 . 1 . . . . 43 PHE N . 7272 1 542 . 1 1 44 44 TRP H H 1 7.751 0.005 . 1 . . . . 44 TRP H . 7272 1 543 . 1 1 44 44 TRP HA H 1 3.285 0.019 . 1 . . . . 44 TRP HA . 7272 1 544 . 1 1 44 44 TRP HB3 H 1 2.389 0.014 . 1 . . . . 44 TRP HB3 . 7272 1 545 . 1 1 44 44 TRP HD1 H 1 7.349 0.010 . 1 . . . . 44 TRP HD1 . 7272 1 546 . 1 1 44 44 TRP HE1 H 1 10.663 0.005 . 1 . . . . 44 TRP HE1 . 7272 1 547 . 1 1 44 44 TRP HE3 H 1 7.230 0.01 . 1 . . . . 44 TRP HE3 . 7272 1 548 . 1 1 44 44 TRP HZ2 H 1 7.206 0.01 . 1 . . . . 44 TRP HZ2 . 7272 1 549 . 1 1 44 44 TRP HZ3 H 1 6.881 0.01 . 1 . . . . 44 TRP HZ3 . 7272 1 550 . 1 1 44 44 TRP HH2 H 1 7.115 0.004 . 1 . . . . 44 TRP HH2 . 7272 1 551 . 1 1 44 44 TRP C C 13 177.846 0.012 . 1 . . . . 44 TRP C . 7272 1 552 . 1 1 44 44 TRP CA C 13 64.864 0.081 . 1 . . . . 44 TRP CA . 7272 1 553 . 1 1 44 44 TRP CB C 13 29.634 0.025 . 1 . . . . 44 TRP CB . 7272 1 554 . 1 1 44 44 TRP CD1 C 13 125.207 0.075 . 1 . . . . 44 TRP CD1 . 7272 1 555 . 1 1 44 44 TRP CE3 C 13 119.507 0.1 . 1 . . . . 44 TRP CE3 . 7272 1 556 . 1 1 44 44 TRP CZ2 C 13 114.984 0.1 . 1 . . . . 44 TRP CZ2 . 7272 1 557 . 1 1 44 44 TRP CH2 C 13 125.659 0.1 . 1 . . . . 44 TRP CH2 . 7272 1 558 . 1 1 44 44 TRP N N 15 121.058 0.033 . 1 . . . . 44 TRP N . 7272 1 559 . 1 1 44 44 TRP NE1 N 15 130.757 0.014 . 1 . . . . 44 TRP NE1 . 7272 1 560 . 1 1 45 45 LEU H H 1 8.767 0.004 . 1 . . . . 45 LEU H . 7272 1 561 . 1 1 45 45 LEU HA H 1 3.823 0.017 . 1 . . . . 45 LEU HA . 7272 1 562 . 1 1 45 45 LEU HB2 H 1 1.576 0.010 . 2 . . . . 45 LEU HB2 . 7272 1 563 . 1 1 45 45 LEU HB3 H 1 1.916 0.002 . 2 . . . . 45 LEU HB3 . 7272 1 564 . 1 1 45 45 LEU HG H 1 2.221 0.017 . 1 . . . . 45 LEU HG . 7272 1 565 . 1 1 45 45 LEU HD11 H 1 0.974 0.008 . 2 . . . . 45 LEU HD1 . 7272 1 566 . 1 1 45 45 LEU HD12 H 1 0.974 0.008 . 2 . . . . 45 LEU HD1 . 7272 1 567 . 1 1 45 45 LEU HD13 H 1 0.974 0.008 . 2 . . . . 45 LEU HD1 . 7272 1 568 . 1 1 45 45 LEU HD21 H 1 1.204 0.019 . 2 . . . . 45 LEU HD2 . 7272 1 569 . 1 1 45 45 LEU HD22 H 1 1.204 0.019 . 2 . . . . 45 LEU HD2 . 7272 1 570 . 1 1 45 45 LEU HD23 H 1 1.204 0.019 . 2 . . . . 45 LEU HD2 . 7272 1 571 . 1 1 45 45 LEU C C 13 179.431 0.005 . 1 . . . . 45 LEU C . 7272 1 572 . 1 1 45 45 LEU CA C 13 57.868 0.085 . 1 . . . . 45 LEU CA . 7272 1 573 . 1 1 45 45 LEU CB C 13 42.095 0.030 . 1 . . . . 45 LEU CB . 7272 1 574 . 1 1 45 45 LEU CG C 13 27.428 0.019 . 1 . . . . 45 LEU CG . 7272 1 575 . 1 1 45 45 LEU CD1 C 13 22.615 0.015 . 2 . . . . 45 LEU CD1 . 7272 1 576 . 1 1 45 45 LEU CD2 C 13 26.471 0.005 . 2 . . . . 45 LEU CD2 . 7272 1 577 . 1 1 45 45 LEU N N 15 116.999 0.016 . 1 . . . . 45 LEU N . 7272 1 578 . 1 1 46 46 ALA H H 1 7.896 0.005 . 1 . . . . 46 ALA H . 7272 1 579 . 1 1 46 46 ALA HA H 1 4.156 0.010 . 1 . . . . 46 ALA HA . 7272 1 580 . 1 1 46 46 ALA HB1 H 1 1.398 0.013 . 1 . . . . 46 ALA HB . 7272 1 581 . 1 1 46 46 ALA HB2 H 1 1.398 0.013 . 1 . . . . 46 ALA HB . 7272 1 582 . 1 1 46 46 ALA HB3 H 1 1.398 0.013 . 1 . . . . 46 ALA HB . 7272 1 583 . 1 1 46 46 ALA C C 13 180.977 0.016 . 1 . . . . 46 ALA C . 7272 1 584 . 1 1 46 46 ALA CA C 13 54.950 0.036 . 1 . . . . 46 ALA CA . 7272 1 585 . 1 1 46 46 ALA CB C 13 18.037 0.033 . 1 . . . . 46 ALA CB . 7272 1 586 . 1 1 46 46 ALA N N 15 122.776 0.033 . 1 . . . . 46 ALA N . 7272 1 587 . 1 1 47 47 CYS H H 1 7.591 0.009 . 1 . . . . 47 CYS H . 7272 1 588 . 1 1 47 47 CYS HA H 1 3.558 0.014 . 1 . . . . 47 CYS HA . 7272 1 589 . 1 1 47 47 CYS C C 13 176.893 0.002 . 1 . . . . 47 CYS C . 7272 1 590 . 1 1 47 47 CYS CA C 13 64.044 0.063 . 1 . . . . 47 CYS CA . 7272 1 591 . 1 1 47 47 CYS CB C 13 25.666 0.072 . 1 . . . . 47 CYS CB . 7272 1 592 . 1 1 47 47 CYS N N 15 116.847 0.022 . 1 . . . . 47 CYS N . 7272 1 593 . 1 1 48 48 GLU H H 1 7.529 0.004 . 1 . . . . 48 GLU H . 7272 1 594 . 1 1 48 48 GLU HA H 1 3.783 0.018 . 1 . . . . 48 GLU HA . 7272 1 595 . 1 1 48 48 GLU HB2 H 1 1.563 0.002 . 2 . . . . 48 GLU HB2 . 7272 1 596 . 1 1 48 48 GLU HB3 H 1 1.681 0.01 . 2 . . . . 48 GLU HB3 . 7272 1 597 . 1 1 48 48 GLU C C 13 178.313 0.003 . 1 . . . . 48 GLU C . 7272 1 598 . 1 1 48 48 GLU CA C 13 58.172 0.078 . 1 . . . . 48 GLU CA . 7272 1 599 . 1 1 48 48 GLU CB C 13 28.459 0.020 . 1 . . . . 48 GLU CB . 7272 1 600 . 1 1 48 48 GLU N N 15 122.632 0.014 . 1 . . . . 48 GLU N . 7272 1 601 . 1 1 49 49 ASP H H 1 7.523 0.006 . 1 . . . . 49 ASP H . 7272 1 602 . 1 1 49 49 ASP HA H 1 4.300 0.003 . 1 . . . . 49 ASP HA . 7272 1 603 . 1 1 49 49 ASP HB2 H 1 2.648 0.029 . 2 . . . . 49 ASP HB2 . 7272 1 604 . 1 1 49 49 ASP HB3 H 1 2.698 0.01 . 2 . . . . 49 ASP HB3 . 7272 1 605 . 1 1 49 49 ASP C C 13 179.162 0.009 . 1 . . . . 49 ASP C . 7272 1 606 . 1 1 49 49 ASP CA C 13 56.773 0.040 . 1 . . . . 49 ASP CA . 7272 1 607 . 1 1 49 49 ASP CB C 13 40.747 0.035 . 1 . . . . 49 ASP CB . 7272 1 608 . 1 1 49 49 ASP N N 15 118.124 0.030 . 1 . . . . 49 ASP N . 7272 1 609 . 1 1 50 50 PHE H H 1 8.079 0.007 . 1 . . . . 50 PHE H . 7272 1 610 . 1 1 50 50 PHE HA H 1 4.035 0.015 . 1 . . . . 50 PHE HA . 7272 1 611 . 1 1 50 50 PHE HB2 H 1 3.123 0.001 . 2 . . . . 50 PHE HB2 . 7272 1 612 . 1 1 50 50 PHE HB3 H 1 3.146 0.016 . 2 . . . . 50 PHE HB3 . 7272 1 613 . 1 1 50 50 PHE HD1 H 1 7.205 0.009 . 1 . . . . 50 PHE HD . 7272 1 614 . 1 1 50 50 PHE HD2 H 1 7.205 0.009 . 1 . . . . 50 PHE HD . 7272 1 615 . 1 1 50 50 PHE HE1 H 1 7.587 0.014 . 1 . . . . 50 PHE HE . 7272 1 616 . 1 1 50 50 PHE HE2 H 1 7.587 0.014 . 1 . . . . 50 PHE HE . 7272 1 617 . 1 1 50 50 PHE C C 13 176.559 0.1 . 1 . . . . 50 PHE C . 7272 1 618 . 1 1 50 50 PHE CA C 13 61.417 0.048 . 1 . . . . 50 PHE CA . 7272 1 619 . 1 1 50 50 PHE CB C 13 39.998 0.063 . 1 . . . . 50 PHE CB . 7272 1 620 . 1 1 50 50 PHE CD1 C 13 131.855 0.064 . 1 . . . . 50 PHE CD . 7272 1 621 . 1 1 50 50 PHE CD2 C 13 131.855 0.064 . 1 . . . . 50 PHE CD . 7272 1 622 . 1 1 50 50 PHE CE1 C 13 131.894 0.096 . 1 . . . . 50 PHE CE . 7272 1 623 . 1 1 50 50 PHE CE2 C 13 131.894 0.096 . 1 . . . . 50 PHE CE . 7272 1 624 . 1 1 50 50 PHE N N 15 121.384 0.026 . 1 . . . . 50 PHE N . 7272 1 625 . 1 1 51 51 LYS H H 1 7.376 0.004 . 1 . . . . 51 LYS H . 7272 1 626 . 1 1 51 51 LYS HA H 1 4.118 0.019 . 1 . . . . 51 LYS HA . 7272 1 627 . 1 1 51 51 LYS HB2 H 1 1.819 0.006 . 2 . . . . 51 LYS HB2 . 7272 1 628 . 1 1 51 51 LYS HB3 H 1 1.824 0.01 . 2 . . . . 51 LYS HB3 . 7272 1 629 . 1 1 51 51 LYS HG2 H 1 1.445 0.002 . 1 . . . . 51 LYS HG2 . 7272 1 630 . 1 1 51 51 LYS HG3 H 1 1.445 0.002 . 1 . . . . 51 LYS HG3 . 7272 1 631 . 1 1 51 51 LYS HD3 H 1 1.556 0.01 . 1 . . . . 51 LYS HD3 . 7272 1 632 . 1 1 51 51 LYS C C 13 177.129 0.002 . 1 . . . . 51 LYS C . 7272 1 633 . 1 1 51 51 LYS CA C 13 58.264 0.004 . 1 . . . . 51 LYS CA . 7272 1 634 . 1 1 51 51 LYS CB C 13 32.233 0.037 . 1 . . . . 51 LYS CB . 7272 1 635 . 1 1 51 51 LYS CG C 13 25.038 0.1 . 1 . . . . 51 LYS CG . 7272 1 636 . 1 1 51 51 LYS CD C 13 29.953 0.1 . 1 . . . . 51 LYS CD . 7272 1 637 . 1 1 51 51 LYS CE C 13 42.210 0.1 . 1 . . . . 51 LYS CE . 7272 1 638 . 1 1 51 51 LYS N N 15 114.231 0.032 . 1 . . . . 51 LYS N . 7272 1 639 . 1 1 52 52 LYS H H 1 7.074 0.004 . 1 . . . . 52 LYS H . 7272 1 640 . 1 1 52 52 LYS HA H 1 4.230 0.008 . 1 . . . . 52 LYS HA . 7272 1 641 . 1 1 52 52 LYS HB2 H 1 1.709 0.002 . 2 . . . . 52 LYS HB2 . 7272 1 642 . 1 1 52 52 LYS HB3 H 1 1.980 0.012 . 2 . . . . 52 LYS HB3 . 7272 1 643 . 1 1 52 52 LYS HG2 H 1 1.375 0.009 . 1 . . . . 52 LYS HG2 . 7272 1 644 . 1 1 52 52 LYS HG3 H 1 1.375 0.009 . 1 . . . . 52 LYS HG3 . 7272 1 645 . 1 1 52 52 LYS HD2 H 1 1.619 0.01 . 1 . . . . 52 LYS HD2 . 7272 1 646 . 1 1 52 52 LYS HD3 H 1 1.619 0.01 . 1 . . . . 52 LYS HD3 . 7272 1 647 . 1 1 52 52 LYS HE2 H 1 2.955 0.007 . 2 . . . . 52 LYS HE2 . 7272 1 648 . 1 1 52 52 LYS HE3 H 1 2.962 0.01 . 2 . . . . 52 LYS HE3 . 7272 1 649 . 1 1 52 52 LYS C C 13 177.128 0.009 . 1 . . . . 52 LYS C . 7272 1 650 . 1 1 52 52 LYS CA C 13 55.977 0.063 . 1 . . . . 52 LYS CA . 7272 1 651 . 1 1 52 52 LYS CB C 13 32.897 0.044 . 1 . . . . 52 LYS CB . 7272 1 652 . 1 1 52 52 LYS CG C 13 25.001 0.1 . 1 . . . . 52 LYS CG . 7272 1 653 . 1 1 52 52 LYS CD C 13 29.329 0.1 . 1 . . . . 52 LYS CD . 7272 1 654 . 1 1 52 52 LYS CE C 13 42.503 0.1 . 1 . . . . 52 LYS CE . 7272 1 655 . 1 1 52 52 LYS N N 15 116.750 0.041 . 1 . . . . 52 LYS N . 7272 1 656 . 1 1 53 53 MET H H 1 7.443 0.006 . 1 . . . . 53 MET H . 7272 1 657 . 1 1 53 53 MET HA H 1 4.056 0.014 . 1 . . . . 53 MET HA . 7272 1 658 . 1 1 53 53 MET HB2 H 1 1.724 0.022 . 2 . . . . 53 MET HB2 . 7272 1 659 . 1 1 53 53 MET HB3 H 1 1.832 0.003 . 2 . . . . 53 MET HB3 . 7272 1 660 . 1 1 53 53 MET HG2 H 1 2.348 0.010 . 2 . . . . 53 MET HG2 . 7272 1 661 . 1 1 53 53 MET HG3 H 1 2.781 0.012 . 2 . . . . 53 MET HG3 . 7272 1 662 . 1 1 53 53 MET HE1 H 1 2.004 0.004 . 1 . . . . 53 MET HE . 7272 1 663 . 1 1 53 53 MET HE2 H 1 2.004 0.004 . 1 . . . . 53 MET HE . 7272 1 664 . 1 1 53 53 MET HE3 H 1 2.004 0.004 . 1 . . . . 53 MET HE . 7272 1 665 . 1 1 53 53 MET C C 13 175.670 0.005 . 1 . . . . 53 MET C . 7272 1 666 . 1 1 53 53 MET CA C 13 57.248 0.015 . 1 . . . . 53 MET CA . 7272 1 667 . 1 1 53 53 MET CB C 13 33.312 0.028 . 1 . . . . 53 MET CB . 7272 1 668 . 1 1 53 53 MET CG C 13 33.305 0.1 . 1 . . . . 53 MET CG . 7272 1 669 . 1 1 53 53 MET CE C 13 18.110 0.021 . 1 . . . . 53 MET CE . 7272 1 670 . 1 1 53 53 MET N N 15 119.791 0.016 . 1 . . . . 53 MET N . 7272 1 671 . 1 1 54 54 GLN H H 1 8.383 0.009 . 1 . . . . 54 GLN H . 7272 1 672 . 1 1 54 54 GLN HA H 1 4.337 0.001 . 1 . . . . 54 GLN HA . 7272 1 673 . 1 1 54 54 GLN HB2 H 1 1.840 0.001 . 2 . . . . 54 GLN HB2 . 7272 1 674 . 1 1 54 54 GLN HB3 H 1 2.135 0.014 . 2 . . . . 54 GLN HB3 . 7272 1 675 . 1 1 54 54 GLN HG2 H 1 2.291 0.010 . 1 . . . . 54 GLN HG2 . 7272 1 676 . 1 1 54 54 GLN HG3 H 1 2.291 0.010 . 1 . . . . 54 GLN HG3 . 7272 1 677 . 1 1 54 54 GLN HE21 H 1 6.772 0.010 . 2 . . . . 54 GLN HE21 . 7272 1 678 . 1 1 54 54 GLN HE22 H 1 7.417 0.003 . 2 . . . . 54 GLN HE22 . 7272 1 679 . 1 1 54 54 GLN C C 13 175.532 0.021 . 1 . . . . 54 GLN C . 7272 1 680 . 1 1 54 54 GLN CA C 13 56.085 0.001 . 1 . . . . 54 GLN CA . 7272 1 681 . 1 1 54 54 GLN CB C 13 31.121 0.105 . 1 . . . . 54 GLN CB . 7272 1 682 . 1 1 54 54 GLN CG C 13 33.874 0.1 . 1 . . . . 54 GLN CG . 7272 1 683 . 1 1 54 54 GLN N N 15 118.178 0.038 . 1 . . . . 54 GLN N . 7272 1 684 . 1 1 54 54 GLN NE2 N 15 112.387 0.219 . 1 . . . . 54 GLN NE2 . 7272 1 685 . 1 1 55 55 ASP H H 1 7.789 0.009 . 1 . . . . 55 ASP H . 7272 1 686 . 1 1 55 55 ASP HA H 1 4.677 0.002 . 1 . . . . 55 ASP HA . 7272 1 687 . 1 1 55 55 ASP HB2 H 1 2.609 0.01 . 2 . . . . 55 ASP HB2 . 7272 1 688 . 1 1 55 55 ASP HB3 H 1 2.748 0.01 . 2 . . . . 55 ASP HB3 . 7272 1 689 . 1 1 55 55 ASP C C 13 176.180 0.002 . 1 . . . . 55 ASP C . 7272 1 690 . 1 1 55 55 ASP CA C 13 53.525 0.051 . 1 . . . . 55 ASP CA . 7272 1 691 . 1 1 55 55 ASP CB C 13 42.712 0.033 . 1 . . . . 55 ASP CB . 7272 1 692 . 1 1 55 55 ASP N N 15 120.349 0.037 . 1 . . . . 55 ASP N . 7272 1 693 . 1 1 56 56 LYS H H 1 8.880 0.002 . 1 . . . . 56 LYS H . 7272 1 694 . 1 1 56 56 LYS HA H 1 3.938 0.009 . 1 . . . . 56 LYS HA . 7272 1 695 . 1 1 56 56 LYS HB2 H 1 1.897 0.008 . 2 . . . . 56 LYS HB2 . 7272 1 696 . 1 1 56 56 LYS HB3 H 1 1.906 0.01 . 2 . . . . 56 LYS HB3 . 7272 1 697 . 1 1 56 56 LYS HG2 H 1 1.423 0.01 . 2 . . . . 56 LYS HG2 . 7272 1 698 . 1 1 56 56 LYS HG3 H 1 1.547 0.01 . 2 . . . . 56 LYS HG3 . 7272 1 699 . 1 1 56 56 LYS HD2 H 1 1.709 0.01 . 1 . . . . 56 LYS HD2 . 7272 1 700 . 1 1 56 56 LYS HD3 H 1 1.709 0.01 . 1 . . . . 56 LYS HD3 . 7272 1 701 . 1 1 56 56 LYS HE2 H 1 3.011 0.014 . 1 . . . . 56 LYS HE2 . 7272 1 702 . 1 1 56 56 LYS C C 13 178.290 0.002 . 1 . . . . 56 LYS C . 7272 1 703 . 1 1 56 56 LYS CA C 13 59.903 0.006 . 1 . . . . 56 LYS CA . 7272 1 704 . 1 1 56 56 LYS CB C 13 32.311 0.010 . 1 . . . . 56 LYS CB . 7272 1 705 . 1 1 56 56 LYS CG C 13 25.162 0.1 . 1 . . . . 56 LYS CG . 7272 1 706 . 1 1 56 56 LYS CD C 13 29.040 0.1 . 1 . . . . 56 LYS CD . 7272 1 707 . 1 1 56 56 LYS CE C 13 42.225 0.1 . 1 . . . . 56 LYS CE . 7272 1 708 . 1 1 56 56 LYS N N 15 126.951 0.018 . 1 . . . . 56 LYS N . 7272 1 709 . 1 1 57 57 THR H H 1 8.181 0.003 . 1 . . . . 57 THR H . 7272 1 710 . 1 1 57 57 THR HA H 1 4.097 0.011 . 1 . . . . 57 THR HA . 7272 1 711 . 1 1 57 57 THR HB H 1 4.308 0.002 . 1 . . . . 57 THR HB . 7272 1 712 . 1 1 57 57 THR HG21 H 1 1.302 0.01 . 1 . . . . 57 THR HG2 . 7272 1 713 . 1 1 57 57 THR HG22 H 1 1.302 0.01 . 1 . . . . 57 THR HG2 . 7272 1 714 . 1 1 57 57 THR HG23 H 1 1.302 0.01 . 1 . . . . 57 THR HG2 . 7272 1 715 . 1 1 57 57 THR C C 13 176.901 0.005 . 1 . . . . 57 THR C . 7272 1 716 . 1 1 57 57 THR CA C 13 66.333 0.009 . 1 . . . . 57 THR CA . 7272 1 717 . 1 1 57 57 THR CB C 13 68.105 0.002 . 1 . . . . 57 THR CB . 7272 1 718 . 1 1 57 57 THR CG2 C 13 22.084 0.1 . 1 . . . . 57 THR CG2 . 7272 1 719 . 1 1 57 57 THR N N 15 116.191 0.010 . 1 . . . . 57 THR N . 7272 1 720 . 1 1 58 58 GLN H H 1 8.254 0.007 . 1 . . . . 58 GLN H . 7272 1 721 . 1 1 58 58 GLN HA H 1 4.174 0.022 . 1 . . . . 58 GLN HA . 7272 1 722 . 1 1 58 58 GLN HB2 H 1 2.019 0.001 . 2 . . . . 58 GLN HB2 . 7272 1 723 . 1 1 58 58 GLN HB3 H 1 2.226 0.024 . 2 . . . . 58 GLN HB3 . 7272 1 724 . 1 1 58 58 GLN HG2 H 1 2.490 0.006 . 2 . . . . 58 GLN HG2 . 7272 1 725 . 1 1 58 58 GLN HG3 H 1 2.491 0.006 . 2 . . . . 58 GLN HG3 . 7272 1 726 . 1 1 58 58 GLN HE21 H 1 6.850 0.004 . 2 . . . . 58 GLN HE21 . 7272 1 727 . 1 1 58 58 GLN HE22 H 1 7.555 0.002 . 2 . . . . 58 GLN HE22 . 7272 1 728 . 1 1 58 58 GLN C C 13 178.975 0.007 . 1 . . . . 58 GLN C . 7272 1 729 . 1 1 58 58 GLN CA C 13 58.361 0.057 . 1 . . . . 58 GLN CA . 7272 1 730 . 1 1 58 58 GLN CB C 13 28.861 0.019 . 1 . . . . 58 GLN CB . 7272 1 731 . 1 1 58 58 GLN CG C 13 34.079 0.1 . 1 . . . . 58 GLN CG . 7272 1 732 . 1 1 58 58 GLN N N 15 121.475 0.067 . 1 . . . . 58 GLN N . 7272 1 733 . 1 1 58 58 GLN NE2 N 15 111.975 0.031 . 1 . . . . 58 GLN NE2 . 7272 1 734 . 1 1 59 59 MET H H 1 8.483 0.004 . 1 . . . . 59 MET H . 7272 1 735 . 1 1 59 59 MET HA H 1 4.029 0.035 . 1 . . . . 59 MET HA . 7272 1 736 . 1 1 59 59 MET HB2 H 1 2.113 0.01 . 2 . . . . 59 MET HB2 . 7272 1 737 . 1 1 59 59 MET HB3 H 1 2.251 0.01 . 2 . . . . 59 MET HB3 . 7272 1 738 . 1 1 59 59 MET HG2 H 1 2.004 0.039 . 2 . . . . 59 MET HG2 . 7272 1 739 . 1 1 59 59 MET HG3 H 1 2.046 0.008 . 2 . . . . 59 MET HG3 . 7272 1 740 . 1 1 59 59 MET HE1 H 1 1.747 0.005 . 1 . . . . 59 MET HE . 7272 1 741 . 1 1 59 59 MET HE2 H 1 1.747 0.005 . 1 . . . . 59 MET HE . 7272 1 742 . 1 1 59 59 MET HE3 H 1 1.747 0.005 . 1 . . . . 59 MET HE . 7272 1 743 . 1 1 59 59 MET C C 13 177.997 0.1 . 1 . . . . 59 MET C . 7272 1 744 . 1 1 59 59 MET CA C 13 59.933 0.021 . 1 . . . . 59 MET CA . 7272 1 745 . 1 1 59 59 MET CB C 13 33.999 0.018 . 1 . . . . 59 MET CB . 7272 1 746 . 1 1 59 59 MET CG C 13 32.742 0.1 . 1 . . . . 59 MET CG . 7272 1 747 . 1 1 59 59 MET CE C 13 16.375 0.044 . 1 . . . . 59 MET CE . 7272 1 748 . 1 1 59 59 MET N N 15 119.232 0.066 . 1 . . . . 59 MET N . 7272 1 749 . 1 1 60 60 GLN H H 1 8.484 0.004 . 1 . . . . 60 GLN H . 7272 1 750 . 1 1 60 60 GLN HA H 1 3.967 0.007 . 1 . . . . 60 GLN HA . 7272 1 751 . 1 1 60 60 GLN HB2 H 1 2.198 0.032 . 2 . . . . 60 GLN HB2 . 7272 1 752 . 1 1 60 60 GLN HB3 H 1 2.405 0.015 . 2 . . . . 60 GLN HB3 . 7272 1 753 . 1 1 60 60 GLN HG2 H 1 2.374 0.003 . 2 . . . . 60 GLN HG2 . 7272 1 754 . 1 1 60 60 GLN HG3 H 1 2.618 0.010 . 2 . . . . 60 GLN HG3 . 7272 1 755 . 1 1 60 60 GLN HE21 H 1 6.940 0.002 . 2 . . . . 60 GLN HE21 . 7272 1 756 . 1 1 60 60 GLN HE22 H 1 7.615 0.003 . 2 . . . . 60 GLN HE22 . 7272 1 757 . 1 1 60 60 GLN C C 13 178.604 0.004 . 1 . . . . 60 GLN C . 7272 1 758 . 1 1 60 60 GLN CA C 13 59.912 0.041 . 1 . . . . 60 GLN CA . 7272 1 759 . 1 1 60 60 GLN CB C 13 28.604 0.007 . 1 . . . . 60 GLN CB . 7272 1 760 . 1 1 60 60 GLN CG C 13 34.374 0.1 . 1 . . . . 60 GLN CG . 7272 1 761 . 1 1 60 60 GLN N N 15 119.351 0.047 . 1 . . . . 60 GLN N . 7272 1 762 . 1 1 60 60 GLN NE2 N 15 111.428 0.025 . 1 . . . . 60 GLN NE2 . 7272 1 763 . 1 1 61 61 GLU H H 1 7.936 0.005 . 1 . . . . 61 GLU H . 7272 1 764 . 1 1 61 61 GLU HA H 1 4.111 0.006 . 1 . . . . 61 GLU HA . 7272 1 765 . 1 1 61 61 GLU HB2 H 1 2.144 0.019 . 2 . . . . 61 GLU HB2 . 7272 1 766 . 1 1 61 61 GLU HB3 H 1 2.161 0.01 . 2 . . . . 61 GLU HB3 . 7272 1 767 . 1 1 61 61 GLU HG2 H 1 2.354 0.01 . 2 . . . . 61 GLU HG2 . 7272 1 768 . 1 1 61 61 GLU HG3 H 1 2.473 0.01 . 2 . . . . 61 GLU HG3 . 7272 1 769 . 1 1 61 61 GLU C C 13 179.681 0.002 . 1 . . . . 61 GLU C . 7272 1 770 . 1 1 61 61 GLU CA C 13 59.217 0.022 . 1 . . . . 61 GLU CA . 7272 1 771 . 1 1 61 61 GLU CB C 13 29.321 0.044 . 1 . . . . 61 GLU CB . 7272 1 772 . 1 1 61 61 GLU CG C 13 36.301 0.015 . 1 . . . . 61 GLU CG . 7272 1 773 . 1 1 61 61 GLU N N 15 118.478 0.022 . 1 . . . . 61 GLU N . 7272 1 774 . 1 1 62 62 LYS H H 1 8.573 0.004 . 1 . . . . 62 LYS H . 7272 1 775 . 1 1 62 62 LYS HA H 1 4.362 0.003 . 1 . . . . 62 LYS HA . 7272 1 776 . 1 1 62 62 LYS HB2 H 1 2.102 0.013 . 2 . . . . 62 LYS HB2 . 7272 1 777 . 1 1 62 62 LYS HB3 H 1 2.271 0.022 . 2 . . . . 62 LYS HB3 . 7272 1 778 . 1 1 62 62 LYS HE2 H 1 3.030 0.01 . 1 . . . . 62 LYS HE2 . 7272 1 779 . 1 1 62 62 LYS HE3 H 1 3.030 0.01 . 1 . . . . 62 LYS HE3 . 7272 1 780 . 1 1 62 62 LYS C C 13 178.242 0.010 . 1 . . . . 62 LYS C . 7272 1 781 . 1 1 62 62 LYS CA C 13 57.215 0.005 . 1 . . . . 62 LYS CA . 7272 1 782 . 1 1 62 62 LYS CB C 13 31.479 0.041 . 1 . . . . 62 LYS CB . 7272 1 783 . 1 1 62 62 LYS N N 15 120.694 0.060 . 1 . . . . 62 LYS N . 7272 1 784 . 1 1 63 63 ALA H H 1 9.129 0.004 . 1 . . . . 63 ALA H . 7272 1 785 . 1 1 63 63 ALA HA H 1 4.013 0.024 . 1 . . . . 63 ALA HA . 7272 1 786 . 1 1 63 63 ALA HB1 H 1 1.663 0.018 . 1 . . . . 63 ALA HB . 7272 1 787 . 1 1 63 63 ALA HB2 H 1 1.663 0.018 . 1 . . . . 63 ALA HB . 7272 1 788 . 1 1 63 63 ALA HB3 H 1 1.663 0.018 . 1 . . . . 63 ALA HB . 7272 1 789 . 1 1 63 63 ALA C C 13 179.600 0.006 . 1 . . . . 63 ALA C . 7272 1 790 . 1 1 63 63 ALA CA C 13 55.504 0.028 . 1 . . . . 63 ALA CA . 7272 1 791 . 1 1 63 63 ALA CB C 13 17.971 0.058 . 1 . . . . 63 ALA CB . 7272 1 792 . 1 1 63 63 ALA N N 15 122.223 0.024 . 1 . . . . 63 ALA N . 7272 1 793 . 1 1 64 64 LYS H H 1 7.669 0.005 . 1 . . . . 64 LYS H . 7272 1 794 . 1 1 64 64 LYS HA H 1 4.065 0.015 . 1 . . . . 64 LYS HA . 7272 1 795 . 1 1 64 64 LYS HB2 H 1 2.040 0.01 . 2 . . . . 64 LYS HB2 . 7272 1 796 . 1 1 64 64 LYS HB3 H 1 2.043 0.007 . 2 . . . . 64 LYS HB3 . 7272 1 797 . 1 1 64 64 LYS HG2 H 1 1.508 0.01 . 2 . . . . 64 LYS HG2 . 7272 1 798 . 1 1 64 64 LYS HG3 H 1 1.646 0.023 . 2 . . . . 64 LYS HG3 . 7272 1 799 . 1 1 64 64 LYS HD2 H 1 1.746 0.01 . 2 . . . . 64 LYS HD2 . 7272 1 800 . 1 1 64 64 LYS HD3 H 1 1.751 0.005 . 2 . . . . 64 LYS HD3 . 7272 1 801 . 1 1 64 64 LYS HE2 H 1 2.944 0.01 . 1 . . . . 64 LYS HE2 . 7272 1 802 . 1 1 64 64 LYS HE3 H 1 2.944 0.01 . 1 . . . . 64 LYS HE3 . 7272 1 803 . 1 1 64 64 LYS C C 13 178.064 0.006 . 1 . . . . 64 LYS C . 7272 1 804 . 1 1 64 64 LYS CA C 13 60.248 0.1 . 1 . . . . 64 LYS CA . 7272 1 805 . 1 1 64 64 LYS CB C 13 32.042 0.002 . 1 . . . . 64 LYS CB . 7272 1 806 . 1 1 64 64 LYS CG C 13 25.653 0.059 . 1 . . . . 64 LYS CG . 7272 1 807 . 1 1 64 64 LYS CD C 13 29.308 0.1 . 1 . . . . 64 LYS CD . 7272 1 808 . 1 1 64 64 LYS N N 15 116.907 0.049 . 1 . . . . 64 LYS N . 7272 1 809 . 1 1 65 65 GLU H H 1 7.939 0.010 . 1 . . . . 65 GLU H . 7272 1 810 . 1 1 65 65 GLU HA H 1 4.133 0.058 . 1 . . . . 65 GLU HA . 7272 1 811 . 1 1 65 65 GLU HB2 H 1 2.288 0.008 . 1 . . . . 65 GLU HB2 . 7272 1 812 . 1 1 65 65 GLU HB3 H 1 2.288 0.009 . 1 . . . . 65 GLU HB3 . 7272 1 813 . 1 1 65 65 GLU HG2 H 1 2.044 0.002 . 1 . . . . 65 GLU HG2 . 7272 1 814 . 1 1 65 65 GLU HG3 H 1 2.044 0.002 . 1 . . . . 65 GLU HG3 . 7272 1 815 . 1 1 65 65 GLU C C 13 180.079 0.001 . 1 . . . . 65 GLU C . 7272 1 816 . 1 1 65 65 GLU CA C 13 59.797 0.041 . 1 . . . . 65 GLU CA . 7272 1 817 . 1 1 65 65 GLU CB C 13 29.942 0.023 . 1 . . . . 65 GLU CB . 7272 1 818 . 1 1 65 65 GLU CG C 13 36.210 0.1 . 1 . . . . 65 GLU CG . 7272 1 819 . 1 1 65 65 GLU N N 15 120.500 0.049 . 1 . . . . 65 GLU N . 7272 1 820 . 1 1 66 66 ILE H H 1 8.837 0.007 . 1 . . . . 66 ILE H . 7272 1 821 . 1 1 66 66 ILE HA H 1 3.720 0.011 . 1 . . . . 66 ILE HA . 7272 1 822 . 1 1 66 66 ILE HB H 1 1.638 0.019 . 1 . . . . 66 ILE HB . 7272 1 823 . 1 1 66 66 ILE HG12 H 1 1.936 0.01 . 2 . . . . 66 ILE HG12 . 7272 1 824 . 1 1 66 66 ILE HG13 H 1 1.948 0.009 . 2 . . . . 66 ILE HG13 . 7272 1 825 . 1 1 66 66 ILE HG21 H 1 0.296 0.007 . 1 . . . . 66 ILE HG2 . 7272 1 826 . 1 1 66 66 ILE HG22 H 1 0.296 0.007 . 1 . . . . 66 ILE HG2 . 7272 1 827 . 1 1 66 66 ILE HG23 H 1 0.296 0.007 . 1 . . . . 66 ILE HG2 . 7272 1 828 . 1 1 66 66 ILE HD11 H 1 0.382 0.009 . 1 . . . . 66 ILE HD1 . 7272 1 829 . 1 1 66 66 ILE HD12 H 1 0.382 0.009 . 1 . . . . 66 ILE HD1 . 7272 1 830 . 1 1 66 66 ILE HD13 H 1 0.382 0.009 . 1 . . . . 66 ILE HD1 . 7272 1 831 . 1 1 66 66 ILE C C 13 178.391 0.001 . 1 . . . . 66 ILE C . 7272 1 832 . 1 1 66 66 ILE CA C 13 66.257 0.007 . 1 . . . . 66 ILE CA . 7272 1 833 . 1 1 66 66 ILE CB C 13 37.642 0.027 . 1 . . . . 66 ILE CB . 7272 1 834 . 1 1 66 66 ILE CG1 C 13 30.644 0.1 . 1 . . . . 66 ILE CG1 . 7272 1 835 . 1 1 66 66 ILE CG2 C 13 17.195 0.032 . 1 . . . . 66 ILE CG2 . 7272 1 836 . 1 1 66 66 ILE CD1 C 13 13.902 0.016 . 1 . . . . 66 ILE CD1 . 7272 1 837 . 1 1 66 66 ILE N N 15 122.558 0.015 . 1 . . . . 66 ILE N . 7272 1 838 . 1 1 67 67 TYR H H 1 8.669 0.003 . 1 . . . . 67 TYR H . 7272 1 839 . 1 1 67 67 TYR HA H 1 4.050 0.014 . 1 . . . . 67 TYR HA . 7272 1 840 . 1 1 67 67 TYR HB2 H 1 3.143 0.012 . 2 . . . . 67 TYR HB2 . 7272 1 841 . 1 1 67 67 TYR HB3 H 1 3.304 0.017 . 2 . . . . 67 TYR HB3 . 7272 1 842 . 1 1 67 67 TYR HD1 H 1 6.992 0.011 . 1 . . . . 67 TYR HD . 7272 1 843 . 1 1 67 67 TYR HD2 H 1 6.992 0.011 . 1 . . . . 67 TYR HD . 7272 1 844 . 1 1 67 67 TYR HE1 H 1 6.792 0.014 . 1 . . . . 67 TYR HE . 7272 1 845 . 1 1 67 67 TYR HE2 H 1 6.792 0.014 . 1 . . . . 67 TYR HE . 7272 1 846 . 1 1 67 67 TYR C C 13 178.085 0.002 . 1 . . . . 67 TYR C . 7272 1 847 . 1 1 67 67 TYR CA C 13 62.283 0.022 . 1 . . . . 67 TYR CA . 7272 1 848 . 1 1 67 67 TYR CB C 13 40.021 0.013 . 1 . . . . 67 TYR CB . 7272 1 849 . 1 1 67 67 TYR CD1 C 13 133.202 0.020 . 1 . . . . 67 TYR CD . 7272 1 850 . 1 1 67 67 TYR CD2 C 13 133.202 0.020 . 1 . . . . 67 TYR CD . 7272 1 851 . 1 1 67 67 TYR CE1 C 13 118.084 0.032 . 1 . . . . 67 TYR CE . 7272 1 852 . 1 1 67 67 TYR CE2 C 13 118.084 0.032 . 1 . . . . 67 TYR CE . 7272 1 853 . 1 1 67 67 TYR N N 15 120.507 0.020 . 1 . . . . 67 TYR N . 7272 1 854 . 1 1 68 68 MET H H 1 9.076 0.003 . 1 . . . . 68 MET H . 7272 1 855 . 1 1 68 68 MET HA H 1 4.162 0.024 . 1 . . . . 68 MET HA . 7272 1 856 . 1 1 68 68 MET HB2 H 1 2.093 0.003 . 2 . . . . 68 MET HB2 . 7272 1 857 . 1 1 68 68 MET HB3 H 1 2.239 0.01 . 2 . . . . 68 MET HB3 . 7272 1 858 . 1 1 68 68 MET HG2 H 1 2.866 0.006 . 1 . . . . 68 MET HG2 . 7272 1 859 . 1 1 68 68 MET HG3 H 1 2.866 0.006 . 1 . . . . 68 MET HG3 . 7272 1 860 . 1 1 68 68 MET C C 13 178.054 0.004 . 1 . . . . 68 MET C . 7272 1 861 . 1 1 68 68 MET CA C 13 57.411 0.027 . 1 . . . . 68 MET CA . 7272 1 862 . 1 1 68 68 MET CB C 13 31.249 0.026 . 1 . . . . 68 MET CB . 7272 1 863 . 1 1 68 68 MET CG C 13 32.742 0.1 . 1 . . . . 68 MET CG . 7272 1 864 . 1 1 68 68 MET N N 15 116.844 0.017 . 1 . . . . 68 MET N . 7272 1 865 . 1 1 69 69 THR H H 1 8.068 0.004 . 1 . . . . 69 THR H . 7272 1 866 . 1 1 69 69 THR HA H 1 3.822 0.009 . 1 . . . . 69 THR HA . 7272 1 867 . 1 1 69 69 THR HB H 1 3.578 0.005 . 1 . . . . 69 THR HB . 7272 1 868 . 1 1 69 69 THR HG21 H 1 0.184 0.001 . 1 . . . . 69 THR HG2 . 7272 1 869 . 1 1 69 69 THR HG22 H 1 0.184 0.001 . 1 . . . . 69 THR HG2 . 7272 1 870 . 1 1 69 69 THR HG23 H 1 0.184 0.001 . 1 . . . . 69 THR HG2 . 7272 1 871 . 1 1 69 69 THR C C 13 174.349 0.010 . 1 . . . . 69 THR C . 7272 1 872 . 1 1 69 69 THR CA C 13 65.987 0.1 . 1 . . . . 69 THR CA . 7272 1 873 . 1 1 69 69 THR CB C 13 69.368 0.042 . 1 . . . . 69 THR CB . 7272 1 874 . 1 1 69 69 THR CG2 C 13 20.075 0.1 . 1 . . . . 69 THR CG2 . 7272 1 875 . 1 1 69 69 THR N N 15 114.183 0.018 . 1 . . . . 69 THR N . 7272 1 876 . 1 1 70 70 PHE H H 1 7.868 0.005 . 1 . . . . 70 PHE H . 7272 1 877 . 1 1 70 70 PHE HA H 1 4.850 0.01 . 1 . . . . 70 PHE HA . 7272 1 878 . 1 1 70 70 PHE HB2 H 1 2.650 0.006 . 2 . . . . 70 PHE HB2 . 7272 1 879 . 1 1 70 70 PHE HB3 H 1 2.907 0.005 . 2 . . . . 70 PHE HB3 . 7272 1 880 . 1 1 70 70 PHE C C 13 175.746 0.022 . 1 . . . . 70 PHE C . 7272 1 881 . 1 1 70 70 PHE CA C 13 58.997 0.1 . 1 . . . . 70 PHE CA . 7272 1 882 . 1 1 70 70 PHE CB C 13 42.317 0.028 . 1 . . . . 70 PHE CB . 7272 1 883 . 1 1 70 70 PHE N N 15 113.974 0.024 . 1 . . . . 70 PHE N . 7272 1 884 . 1 1 71 71 LEU H H 1 7.555 0.004 . 1 . . . . 71 LEU H . 7272 1 885 . 1 1 71 71 LEU HA H 1 4.584 0.015 . 1 . . . . 71 LEU HA . 7272 1 886 . 1 1 71 71 LEU HB2 H 1 1.387 0.027 . 2 . . . . 71 LEU HB2 . 7272 1 887 . 1 1 71 71 LEU HB3 H 1 1.603 0.009 . 2 . . . . 71 LEU HB3 . 7272 1 888 . 1 1 71 71 LEU HG H 1 1.441 0.017 . 1 . . . . 71 LEU HG . 7272 1 889 . 1 1 71 71 LEU HD11 H 1 0.512 0.014 . 2 . . . . 71 LEU HD1 . 7272 1 890 . 1 1 71 71 LEU HD12 H 1 0.512 0.014 . 2 . . . . 71 LEU HD1 . 7272 1 891 . 1 1 71 71 LEU HD13 H 1 0.512 0.014 . 2 . . . . 71 LEU HD1 . 7272 1 892 . 1 1 71 71 LEU HD21 H 1 1.002 0.012 . 2 . . . . 71 LEU HD2 . 7272 1 893 . 1 1 71 71 LEU HD22 H 1 1.002 0.012 . 2 . . . . 71 LEU HD2 . 7272 1 894 . 1 1 71 71 LEU HD23 H 1 1.002 0.012 . 2 . . . . 71 LEU HD2 . 7272 1 895 . 1 1 71 71 LEU C C 13 176.760 0.013 . 1 . . . . 71 LEU C . 7272 1 896 . 1 1 71 71 LEU CA C 13 54.982 0.034 . 1 . . . . 71 LEU CA . 7272 1 897 . 1 1 71 71 LEU CB C 13 43.725 0.008 . 1 . . . . 71 LEU CB . 7272 1 898 . 1 1 71 71 LEU CG C 13 27.074 0.1 . 1 . . . . 71 LEU CG . 7272 1 899 . 1 1 71 71 LEU CD1 C 13 22.513 0.018 . 2 . . . . 71 LEU CD1 . 7272 1 900 . 1 1 71 71 LEU CD2 C 13 26.344 0.041 . 2 . . . . 71 LEU CD2 . 7272 1 901 . 1 1 71 71 LEU N N 15 115.844 0.022 . 1 . . . . 71 LEU N . 7272 1 902 . 1 1 72 72 SER H H 1 7.442 0.006 . 1 . . . . 72 SER H . 7272 1 903 . 1 1 72 72 SER HA H 1 4.024 0.010 . 1 . . . . 72 SER HA . 7272 1 904 . 1 1 72 72 SER HB2 H 1 3.431 0.006 . 2 . . . . 72 SER HB2 . 7272 1 905 . 1 1 72 72 SER HB3 H 1 3.876 0.011 . 2 . . . . 72 SER HB3 . 7272 1 906 . 1 1 72 72 SER C C 13 175.014 0.022 . 1 . . . . 72 SER C . 7272 1 907 . 1 1 72 72 SER CA C 13 57.877 0.118 . 1 . . . . 72 SER CA . 7272 1 908 . 1 1 72 72 SER CB C 13 63.786 0.118 . 1 . . . . 72 SER CB . 7272 1 909 . 1 1 72 72 SER N N 15 114.267 0.015 . 1 . . . . 72 SER N . 7272 1 910 . 1 1 73 73 SER H H 1 8.590 0.010 . 1 . . . . 73 SER H . 7272 1 911 . 1 1 73 73 SER HA H 1 4.205 0.008 . 1 . . . . 73 SER HA . 7272 1 912 . 1 1 73 73 SER HB2 H 1 3.951 0.008 . 2 . . . . 73 SER HB2 . 7272 1 913 . 1 1 73 73 SER HB3 H 1 4.010 0.01 . 2 . . . . 73 SER HB3 . 7272 1 914 . 1 1 73 73 SER C C 13 175.324 0.014 . 1 . . . . 73 SER C . 7272 1 915 . 1 1 73 73 SER CA C 13 60.345 0.051 . 1 . . . . 73 SER CA . 7272 1 916 . 1 1 73 73 SER CB C 13 62.783 0.097 . 1 . . . . 73 SER CB . 7272 1 917 . 1 1 73 73 SER N N 15 119.190 0.118 . 1 . . . . 73 SER N . 7272 1 918 . 1 1 74 74 LYS H H 1 8.053 0.016 . 1 . . . . 74 LYS H . 7272 1 919 . 1 1 74 74 LYS HA H 1 4.344 0.015 . 1 . . . . 74 LYS HA . 7272 1 920 . 1 1 74 74 LYS HB2 H 1 1.613 0.013 . 2 . . . . 74 LYS HB2 . 7272 1 921 . 1 1 74 74 LYS HB3 H 1 1.947 0.011 . 2 . . . . 74 LYS HB3 . 7272 1 922 . 1 1 74 74 LYS HG2 H 1 1.393 0.01 . 1 . . . . 74 LYS HG2 . 7272 1 923 . 1 1 74 74 LYS HG3 H 1 1.393 0.01 . 1 . . . . 74 LYS HG3 . 7272 1 924 . 1 1 74 74 LYS HE2 H 1 2.961 0.01 . 1 . . . . 74 LYS HE2 . 7272 1 925 . 1 1 74 74 LYS C C 13 176.358 0.008 . 1 . . . . 74 LYS C . 7272 1 926 . 1 1 74 74 LYS CA C 13 55.458 0.1 . 1 . . . . 74 LYS CA . 7272 1 927 . 1 1 74 74 LYS CB C 13 31.942 0.035 . 1 . . . . 74 LYS CB . 7272 1 928 . 1 1 74 74 LYS CG C 13 25.001 0.1 . 1 . . . . 74 LYS CG . 7272 1 929 . 1 1 74 74 LYS CD C 13 29.075 0.1 . 1 . . . . 74 LYS CD . 7272 1 930 . 1 1 74 74 LYS CE C 13 42.279 0.1 . 1 . . . . 74 LYS CE . 7272 1 931 . 1 1 74 74 LYS N N 15 120.499 0.033 . 1 . . . . 74 LYS N . 7272 1 932 . 1 1 75 75 ALA H H 1 7.458 0.005 . 1 . . . . 75 ALA H . 7272 1 933 . 1 1 75 75 ALA HA H 1 4.165 0.012 . 1 . . . . 75 ALA HA . 7272 1 934 . 1 1 75 75 ALA HB1 H 1 1.159 0.012 . 1 . . . . 75 ALA HB . 7272 1 935 . 1 1 75 75 ALA HB2 H 1 1.159 0.012 . 1 . . . . 75 ALA HB . 7272 1 936 . 1 1 75 75 ALA HB3 H 1 1.159 0.012 . 1 . . . . 75 ALA HB . 7272 1 937 . 1 1 75 75 ALA C C 13 178.464 0.006 . 1 . . . . 75 ALA C . 7272 1 938 . 1 1 75 75 ALA CA C 13 52.550 0.017 . 1 . . . . 75 ALA CA . 7272 1 939 . 1 1 75 75 ALA CB C 13 19.016 0.114 . 1 . . . . 75 ALA CB . 7272 1 940 . 1 1 75 75 ALA N N 15 123.624 0.018 . 1 . . . . 75 ALA N . 7272 1 941 . 1 1 76 76 SER H H 1 8.270 0.003 . 1 . . . . 76 SER H . 7272 1 942 . 1 1 76 76 SER HA H 1 4.215 0.008 . 1 . . . . 76 SER HA . 7272 1 943 . 1 1 76 76 SER HB2 H 1 3.829 0.010 . 1 . . . . 76 SER HB2 . 7272 1 944 . 1 1 76 76 SER HB3 H 1 3.829 0.010 . 1 . . . . 76 SER HB3 . 7272 1 945 . 1 1 76 76 SER C C 13 175.408 0.006 . 1 . . . . 76 SER C . 7272 1 946 . 1 1 76 76 SER CA C 13 59.889 0.005 . 1 . . . . 76 SER CA . 7272 1 947 . 1 1 76 76 SER CB C 13 62.666 0.002 . 1 . . . . 76 SER CB . 7272 1 948 . 1 1 76 76 SER N N 15 116.318 0.025 . 1 . . . . 76 SER N . 7272 1 949 . 1 1 77 77 SER H H 1 7.897 0.004 . 1 . . . . 77 SER H . 7272 1 950 . 1 1 77 77 SER HA H 1 4.633 0.014 . 1 . . . . 77 SER HA . 7272 1 951 . 1 1 77 77 SER HB2 H 1 3.625 0.011 . 2 . . . . 77 SER HB2 . 7272 1 952 . 1 1 77 77 SER HB3 H 1 3.817 0.010 . 2 . . . . 77 SER HB3 . 7272 1 953 . 1 1 77 77 SER C C 13 173.210 0.002 . 1 . . . . 77 SER C . 7272 1 954 . 1 1 77 77 SER CA C 13 56.237 0.018 . 1 . . . . 77 SER CA . 7272 1 955 . 1 1 77 77 SER CB C 13 63.928 0.096 . 1 . . . . 77 SER CB . 7272 1 956 . 1 1 77 77 SER N N 15 117.960 0.028 . 1 . . . . 77 SER N . 7272 1 957 . 1 1 78 78 GLN H H 1 7.662 0.005 . 1 . . . . 78 GLN H . 7272 1 958 . 1 1 78 78 GLN HA H 1 4.060 0.006 . 1 . . . . 78 GLN HA . 7272 1 959 . 1 1 78 78 GLN HB2 H 1 1.847 0.017 . 2 . . . . 78 GLN HB2 . 7272 1 960 . 1 1 78 78 GLN HB3 H 1 1.949 0.01 . 2 . . . . 78 GLN HB3 . 7272 1 961 . 1 1 78 78 GLN HG2 H 1 2.123 0.006 . 2 . . . . 78 GLN HG2 . 7272 1 962 . 1 1 78 78 GLN HG3 H 1 2.252 0.015 . 2 . . . . 78 GLN HG3 . 7272 1 963 . 1 1 78 78 GLN HE21 H 1 6.655 0.001 . 2 . . . . 78 GLN HE21 . 7272 1 964 . 1 1 78 78 GLN HE22 H 1 7.279 0.001 . 2 . . . . 78 GLN HE22 . 7272 1 965 . 1 1 78 78 GLN C C 13 176.809 0.004 . 1 . . . . 78 GLN C . 7272 1 966 . 1 1 78 78 GLN CA C 13 56.258 0.022 . 1 . . . . 78 GLN CA . 7272 1 967 . 1 1 78 78 GLN CB C 13 29.790 0.055 . 1 . . . . 78 GLN CB . 7272 1 968 . 1 1 78 78 GLN CG C 13 34.072 0.1 . 1 . . . . 78 GLN CG . 7272 1 969 . 1 1 78 78 GLN N N 15 119.351 0.027 . 1 . . . . 78 GLN N . 7272 1 970 . 1 1 78 78 GLN NE2 N 15 111.631 0.009 . 1 . . . . 78 GLN NE2 . 7272 1 971 . 1 1 79 79 VAL H H 1 8.099 0.013 . 1 . . . . 79 VAL H . 7272 1 972 . 1 1 79 79 VAL HA H 1 4.336 0.016 . 1 . . . . 79 VAL HA . 7272 1 973 . 1 1 79 79 VAL HB H 1 1.853 0.010 . 1 . . . . 79 VAL HB . 7272 1 974 . 1 1 79 79 VAL HG11 H 1 0.738 0.012 . 2 . . . . 79 VAL HG1 . 7272 1 975 . 1 1 79 79 VAL HG12 H 1 0.738 0.012 . 2 . . . . 79 VAL HG1 . 7272 1 976 . 1 1 79 79 VAL HG13 H 1 0.738 0.012 . 2 . . . . 79 VAL HG1 . 7272 1 977 . 1 1 79 79 VAL HG21 H 1 0.458 0.005 . 2 . . . . 79 VAL HG2 . 7272 1 978 . 1 1 79 79 VAL HG22 H 1 0.458 0.005 . 2 . . . . 79 VAL HG2 . 7272 1 979 . 1 1 79 79 VAL HG23 H 1 0.458 0.005 . 2 . . . . 79 VAL HG2 . 7272 1 980 . 1 1 79 79 VAL C C 13 175.216 0.021 . 1 . . . . 79 VAL C . 7272 1 981 . 1 1 79 79 VAL CA C 13 60.656 0.083 . 1 . . . . 79 VAL CA . 7272 1 982 . 1 1 79 79 VAL CB C 13 32.878 0.080 . 1 . . . . 79 VAL CB . 7272 1 983 . 1 1 79 79 VAL CG1 C 13 19.082 0.1 . 2 . . . . 79 VAL CG1 . 7272 1 984 . 1 1 79 79 VAL CG2 C 13 21.777 0.108 . 2 . . . . 79 VAL CG2 . 7272 1 985 . 1 1 79 79 VAL N N 15 119.719 0.065 . 1 . . . . 79 VAL N . 7272 1 986 . 1 1 80 80 ASN H H 1 8.731 0.002 . 1 . . . . 80 ASN H . 7272 1 987 . 1 1 80 80 ASN HA H 1 4.776 0.01 . 1 . . . . 80 ASN HA . 7272 1 988 . 1 1 80 80 ASN HB2 H 1 2.641 0.004 . 2 . . . . 80 ASN HB2 . 7272 1 989 . 1 1 80 80 ASN HB3 H 1 2.808 0.005 . 2 . . . . 80 ASN HB3 . 7272 1 990 . 1 1 80 80 ASN HD21 H 1 6.852 0.006 . 2 . . . . 80 ASN HD21 . 7272 1 991 . 1 1 80 80 ASN HD22 H 1 7.509 0.008 . 2 . . . . 80 ASN HD22 . 7272 1 992 . 1 1 80 80 ASN C C 13 174.419 0.010 . 1 . . . . 80 ASN C . 7272 1 993 . 1 1 80 80 ASN CA C 13 52.835 0.037 . 1 . . . . 80 ASN CA . 7272 1 994 . 1 1 80 80 ASN CB C 13 38.719 0.013 . 1 . . . . 80 ASN CB . 7272 1 995 . 1 1 80 80 ASN N N 15 122.408 0.018 . 1 . . . . 80 ASN N . 7272 1 996 . 1 1 80 80 ASN ND2 N 15 112.523 0.071 . 1 . . . . 80 ASN ND2 . 7272 1 997 . 1 1 81 81 VAL H H 1 7.852 0.005 . 1 . . . . 81 VAL H . 7272 1 998 . 1 1 81 81 VAL HA H 1 4.332 0.018 . 1 . . . . 81 VAL HA . 7272 1 999 . 1 1 81 81 VAL HB H 1 2.125 0.013 . 1 . . . . 81 VAL HB . 7272 1 1000 . 1 1 81 81 VAL HG11 H 1 0.781 0.008 . 2 . . . . 81 VAL HG1 . 7272 1 1001 . 1 1 81 81 VAL HG12 H 1 0.781 0.008 . 2 . . . . 81 VAL HG1 . 7272 1 1002 . 1 1 81 81 VAL HG13 H 1 0.781 0.008 . 2 . . . . 81 VAL HG1 . 7272 1 1003 . 1 1 81 81 VAL HG21 H 1 0.802 0.020 . 2 . . . . 81 VAL HG2 . 7272 1 1004 . 1 1 81 81 VAL HG22 H 1 0.802 0.020 . 2 . . . . 81 VAL HG2 . 7272 1 1005 . 1 1 81 81 VAL HG23 H 1 0.802 0.020 . 2 . . . . 81 VAL HG2 . 7272 1 1006 . 1 1 81 81 VAL C C 13 175.673 0.003 . 1 . . . . 81 VAL C . 7272 1 1007 . 1 1 81 81 VAL CA C 13 60.273 0.055 . 1 . . . . 81 VAL CA . 7272 1 1008 . 1 1 81 81 VAL CB C 13 33.337 0.036 . 1 . . . . 81 VAL CB . 7272 1 1009 . 1 1 81 81 VAL CG1 C 13 19.887 0.162 . 2 . . . . 81 VAL CG1 . 7272 1 1010 . 1 1 81 81 VAL CG2 C 13 22.194 0.116 . 2 . . . . 81 VAL CG2 . 7272 1 1011 . 1 1 81 81 VAL N N 15 118.167 0.028 . 1 . . . . 81 VAL N . 7272 1 1012 . 1 1 82 82 GLU H H 1 8.645 0.002 . 1 . . . . 82 GLU H . 7272 1 1013 . 1 1 82 82 GLU HA H 1 4.207 0.001 . 1 . . . . 82 GLU HA . 7272 1 1014 . 1 1 82 82 GLU HB3 H 1 2.009 0.012 . 1 . . . . 82 GLU HB3 . 7272 1 1015 . 1 1 82 82 GLU HG2 H 1 2.254 0.001 . 1 . . . . 82 GLU HG2 . 7272 1 1016 . 1 1 82 82 GLU C C 13 177.570 0.002 . 1 . . . . 82 GLU C . 7272 1 1017 . 1 1 82 82 GLU CA C 13 57.254 0.046 . 1 . . . . 82 GLU CA . 7272 1 1018 . 1 1 82 82 GLU CB C 13 29.920 0.033 . 1 . . . . 82 GLU CB . 7272 1 1019 . 1 1 82 82 GLU CG C 13 36.168 0.1 . 1 . . . . 82 GLU CG . 7272 1 1020 . 1 1 82 82 GLU N N 15 124.215 0.024 . 1 . . . . 82 GLU N . 7272 1 1021 . 1 1 83 83 GLY H H 1 8.723 0.002 . 1 . . . . 83 GLY H . 7272 1 1022 . 1 1 83 83 GLY HA2 H 1 3.821 0.01 . 2 . . . . 83 GLY HA2 . 7272 1 1023 . 1 1 83 83 GLY HA3 H 1 4.089 0.01 . 2 . . . . 83 GLY HA3 . 7272 1 1024 . 1 1 83 83 GLY C C 13 175.321 0.002 . 1 . . . . 83 GLY C . 7272 1 1025 . 1 1 83 83 GLY CA C 13 45.833 0.024 . 1 . . . . 83 GLY CA . 7272 1 1026 . 1 1 83 83 GLY N N 15 110.831 0.019 . 1 . . . . 83 GLY N . 7272 1 1027 . 1 1 84 84 GLN H H 1 8.266 0.007 . 1 . . . . 84 GLN H . 7272 1 1028 . 1 1 84 84 GLN HA H 1 4.274 0.007 . 1 . . . . 84 GLN HA . 7272 1 1029 . 1 1 84 84 GLN HB2 H 1 1.975 0.01 . 2 . . . . 84 GLN HB2 . 7272 1 1030 . 1 1 84 84 GLN HB3 H 1 2.077 0.008 . 2 . . . . 84 GLN HB3 . 7272 1 1031 . 1 1 84 84 GLN HG2 H 1 2.359 0.01 . 1 . . . . 84 GLN HG2 . 7272 1 1032 . 1 1 84 84 GLN HG3 H 1 2.359 0.01 . 1 . . . . 84 GLN HG3 . 7272 1 1033 . 1 1 84 84 GLN HE22 H 1 7.509 0.014 . 1 . . . . 84 GLN HE22 . 7272 1 1034 . 1 1 84 84 GLN C C 13 176.612 0.040 . 1 . . . . 84 GLN C . 7272 1 1035 . 1 1 84 84 GLN CA C 13 56.677 0.021 . 1 . . . . 84 GLN CA . 7272 1 1036 . 1 1 84 84 GLN CB C 13 28.998 0.023 . 1 . . . . 84 GLN CB . 7272 1 1037 . 1 1 84 84 GLN CG C 13 33.629 0.1 . 1 . . . . 84 GLN CG . 7272 1 1038 . 1 1 84 84 GLN N N 15 119.927 0.036 . 1 . . . . 84 GLN N . 7272 1 1039 . 1 1 84 84 GLN NE2 N 15 112.069 0.050 . 1 . . . . 84 GLN NE2 . 7272 1 1040 . 1 1 85 85 SER H H 1 8.387 0.007 . 1 . . . . 85 SER H . 7272 1 1041 . 1 1 85 85 SER HA H 1 4.406 0.012 . 1 . . . . 85 SER HA . 7272 1 1042 . 1 1 85 85 SER HB2 H 1 3.921 0.002 . 2 . . . . 85 SER HB2 . 7272 1 1043 . 1 1 85 85 SER HB3 H 1 3.923 0.01 . 2 . . . . 85 SER HB3 . 7272 1 1044 . 1 1 85 85 SER C C 13 174.550 0.002 . 1 . . . . 85 SER C . 7272 1 1045 . 1 1 85 85 SER CA C 13 59.066 0.021 . 1 . . . . 85 SER CA . 7272 1 1046 . 1 1 85 85 SER CB C 13 63.285 0.006 . 1 . . . . 85 SER CB . 7272 1 1047 . 1 1 85 85 SER N N 15 115.848 0.013 . 1 . . . . 85 SER N . 7272 1 1048 . 1 1 86 86 ARG H H 1 8.046 0.010 . 1 . . . . 86 ARG H . 7272 1 1049 . 1 1 86 86 ARG HA H 1 4.331 0.008 . 1 . . . . 86 ARG HA . 7272 1 1050 . 1 1 86 86 ARG HB2 H 1 1.776 0.001 . 2 . . . . 86 ARG HB2 . 7272 1 1051 . 1 1 86 86 ARG HB3 H 1 1.933 0.011 . 2 . . . . 86 ARG HB3 . 7272 1 1052 . 1 1 86 86 ARG HG2 H 1 1.675 0.002 . 2 . . . . 86 ARG HG2 . 7272 1 1053 . 1 1 86 86 ARG HG3 H 1 1.677 0.01 . 2 . . . . 86 ARG HG3 . 7272 1 1054 . 1 1 86 86 ARG HD2 H 1 3.236 0.01 . 1 . . . . 86 ARG HD2 . 7272 1 1055 . 1 1 86 86 ARG HD3 H 1 3.236 0.01 . 1 . . . . 86 ARG HD3 . 7272 1 1056 . 1 1 86 86 ARG C C 13 176.449 0.022 . 1 . . . . 86 ARG C . 7272 1 1057 . 1 1 86 86 ARG CA C 13 56.279 0.087 . 1 . . . . 86 ARG CA . 7272 1 1058 . 1 1 86 86 ARG CB C 13 30.406 0.066 . 1 . . . . 86 ARG CB . 7272 1 1059 . 1 1 86 86 ARG CG C 13 27.462 0.1 . 1 . . . . 86 ARG CG . 7272 1 1060 . 1 1 86 86 ARG CD C 13 43.488 0.1 . 1 . . . . 86 ARG CD . 7272 1 1061 . 1 1 86 86 ARG N N 15 121.289 0.085 . 1 . . . . 86 ARG N . 7272 1 1062 . 1 1 87 87 LEU H H 1 8.157 0.008 . 1 . . . . 87 LEU H . 7272 1 1063 . 1 1 87 87 LEU HA H 1 4.325 0.010 . 1 . . . . 87 LEU HA . 7272 1 1064 . 1 1 87 87 LEU HB2 H 1 1.538 0.012 . 2 . . . . 87 LEU HB2 . 7272 1 1065 . 1 1 87 87 LEU HB3 H 1 1.792 0.016 . 2 . . . . 87 LEU HB3 . 7272 1 1066 . 1 1 87 87 LEU HG H 1 1.780 0.011 . 1 . . . . 87 LEU HG . 7272 1 1067 . 1 1 87 87 LEU HD11 H 1 0.908 0.009 . 2 . . . . 87 LEU HD1 . 7272 1 1068 . 1 1 87 87 LEU HD12 H 1 0.908 0.009 . 2 . . . . 87 LEU HD1 . 7272 1 1069 . 1 1 87 87 LEU HD13 H 1 0.908 0.009 . 2 . . . . 87 LEU HD1 . 7272 1 1070 . 1 1 87 87 LEU HD21 H 1 0.976 0.009 . 2 . . . . 87 LEU HD2 . 7272 1 1071 . 1 1 87 87 LEU HD22 H 1 0.976 0.009 . 2 . . . . 87 LEU HD2 . 7272 1 1072 . 1 1 87 87 LEU HD23 H 1 0.976 0.009 . 2 . . . . 87 LEU HD2 . 7272 1 1073 . 1 1 87 87 LEU C C 13 175.825 0.1 . 1 . . . . 87 LEU C . 7272 1 1074 . 1 1 87 87 LEU CA C 13 55.070 0.015 . 1 . . . . 87 LEU CA . 7272 1 1075 . 1 1 87 87 LEU CB C 13 42.469 0.006 . 1 . . . . 87 LEU CB . 7272 1 1076 . 1 1 87 87 LEU CG C 13 27.600 0.1 . 1 . . . . 87 LEU CG . 7272 1 1077 . 1 1 87 87 LEU CD1 C 13 25.970 0.086 . 2 . . . . 87 LEU CD1 . 7272 1 1078 . 1 1 87 87 LEU CD2 C 13 24.377 0.034 . 2 . . . . 87 LEU CD2 . 7272 1 1079 . 1 1 87 87 LEU N N 15 122.186 0.028 . 1 . . . . 87 LEU N . 7272 1 1080 . 1 1 88 88 ASN H H 1 7.913 0.003 . 1 . . . . 88 ASN H . 7272 1 1081 . 1 1 88 88 ASN HA H 1 4.646 0.005 . 1 . . . . 88 ASN HA . 7272 1 1082 . 1 1 88 88 ASN HB2 H 1 2.922 0.009 . 1 . . . . 88 ASN HB2 . 7272 1 1083 . 1 1 88 88 ASN HB3 H 1 2.922 0.009 . 1 . . . . 88 ASN HB3 . 7272 1 1084 . 1 1 88 88 ASN HD21 H 1 6.885 0.008 . 2 . . . . 88 ASN HD21 . 7272 1 1085 . 1 1 88 88 ASN HD22 H 1 7.657 0.01 . 2 . . . . 88 ASN HD22 . 7272 1 1086 . 1 1 88 88 ASN C C 13 175.041 0.004 . 1 . . . . 88 ASN C . 7272 1 1087 . 1 1 88 88 ASN CA C 13 52.689 0.008 . 1 . . . . 88 ASN CA . 7272 1 1088 . 1 1 88 88 ASN CB C 13 39.417 0.021 . 1 . . . . 88 ASN CB . 7272 1 1089 . 1 1 88 88 ASN N N 15 119.291 0.019 . 1 . . . . 88 ASN N . 7272 1 1090 . 1 1 88 88 ASN ND2 N 15 113.292 0.027 . 1 . . . . 88 ASN ND2 . 7272 1 1091 . 1 1 89 89 GLU H H 1 8.826 0.006 . 1 . . . . 89 GLU H . 7272 1 1092 . 1 1 89 89 GLU HA H 1 3.517 0.001 . 1 . . . . 89 GLU HA . 7272 1 1093 . 1 1 89 89 GLU HB2 H 1 1.945 0.007 . 2 . . . . 89 GLU HB2 . 7272 1 1094 . 1 1 89 89 GLU HB3 H 1 1.952 0.01 . 2 . . . . 89 GLU HB3 . 7272 1 1095 . 1 1 89 89 GLU HG2 H 1 2.192 0.01 . 1 . . . . 89 GLU HG2 . 7272 1 1096 . 1 1 89 89 GLU HG3 H 1 2.192 0.01 . 1 . . . . 89 GLU HG3 . 7272 1 1097 . 1 1 89 89 GLU C C 13 178.122 0.022 . 1 . . . . 89 GLU C . 7272 1 1098 . 1 1 89 89 GLU CA C 13 59.245 0.055 . 1 . . . . 89 GLU CA . 7272 1 1099 . 1 1 89 89 GLU CB C 13 29.091 0.046 . 1 . . . . 89 GLU CB . 7272 1 1100 . 1 1 89 89 GLU CG C 13 36.721 0.1 . 1 . . . . 89 GLU CG . 7272 1 1101 . 1 1 89 89 GLU N N 15 119.806 0.015 . 1 . . . . 89 GLU N . 7272 1 1102 . 1 1 90 90 LYS H H 1 8.243 0.008 . 1 . . . . 90 LYS H . 7272 1 1103 . 1 1 90 90 LYS HA H 1 4.016 0.032 . 1 . . . . 90 LYS HA . 7272 1 1104 . 1 1 90 90 LYS HB2 H 1 1.801 0.001 . 2 . . . . 90 LYS HB2 . 7272 1 1105 . 1 1 90 90 LYS HB3 H 1 1.829 0.031 . 2 . . . . 90 LYS HB3 . 7272 1 1106 . 1 1 90 90 LYS HG2 H 1 1.428 0.001 . 1 . . . . 90 LYS HG2 . 7272 1 1107 . 1 1 90 90 LYS HG3 H 1 1.428 0.001 . 1 . . . . 90 LYS HG3 . 7272 1 1108 . 1 1 90 90 LYS HD2 H 1 1.631 0.003 . 2 . . . . 90 LYS HD2 . 7272 1 1109 . 1 1 90 90 LYS HD3 H 1 1.634 0.01 . 2 . . . . 90 LYS HD3 . 7272 1 1110 . 1 1 90 90 LYS HE2 H 1 2.958 0.01 . 2 . . . . 90 LYS HE2 . 7272 1 1111 . 1 1 90 90 LYS HE3 H 1 2.941 0.012 . 2 . . . . 90 LYS HE3 . 7272 1 1112 . 1 1 90 90 LYS C C 13 179.223 0.005 . 1 . . . . 90 LYS C . 7272 1 1113 . 1 1 90 90 LYS CA C 13 58.239 0.038 . 1 . . . . 90 LYS CA . 7272 1 1114 . 1 1 90 90 LYS CB C 13 31.575 0.011 . 1 . . . . 90 LYS CB . 7272 1 1115 . 1 1 90 90 LYS CG C 13 24.975 0.1 . 1 . . . . 90 LYS CG . 7272 1 1116 . 1 1 90 90 LYS CD C 13 28.875 0.1 . 1 . . . . 90 LYS CD . 7272 1 1117 . 1 1 90 90 LYS CE C 13 42.196 0.1 . 1 . . . . 90 LYS CE . 7272 1 1118 . 1 1 90 90 LYS N N 15 120.908 0.059 . 1 . . . . 90 LYS N . 7272 1 1119 . 1 1 91 91 ILE H H 1 7.702 0.005 . 1 . . . . 91 ILE H . 7272 1 1120 . 1 1 91 91 ILE HA H 1 3.973 0.011 . 1 . . . . 91 ILE HA . 7272 1 1121 . 1 1 91 91 ILE HB H 1 1.897 0.016 . 1 . . . . 91 ILE HB . 7272 1 1122 . 1 1 91 91 ILE HG12 H 1 1.368 0.01 . 2 . . . . 91 ILE HG12 . 7272 1 1123 . 1 1 91 91 ILE HG13 H 1 1.369 0.002 . 2 . . . . 91 ILE HG13 . 7272 1 1124 . 1 1 91 91 ILE HG21 H 1 0.955 0.009 . 1 . . . . 91 ILE HG2 . 7272 1 1125 . 1 1 91 91 ILE HG22 H 1 0.955 0.009 . 1 . . . . 91 ILE HG2 . 7272 1 1126 . 1 1 91 91 ILE HG23 H 1 0.955 0.009 . 1 . . . . 91 ILE HG2 . 7272 1 1127 . 1 1 91 91 ILE HD11 H 1 0.879 0.005 . 1 . . . . 91 ILE HD1 . 7272 1 1128 . 1 1 91 91 ILE HD12 H 1 0.879 0.005 . 1 . . . . 91 ILE HD1 . 7272 1 1129 . 1 1 91 91 ILE HD13 H 1 0.879 0.005 . 1 . . . . 91 ILE HD1 . 7272 1 1130 . 1 1 91 91 ILE C C 13 176.580 0.016 . 1 . . . . 91 ILE C . 7272 1 1131 . 1 1 91 91 ILE CA C 13 63.167 0.049 . 1 . . . . 91 ILE CA . 7272 1 1132 . 1 1 91 91 ILE CB C 13 37.718 0.005 . 1 . . . . 91 ILE CB . 7272 1 1133 . 1 1 91 91 ILE CG1 C 13 27.462 0.1 . 1 . . . . 91 ILE CG1 . 7272 1 1134 . 1 1 91 91 ILE CG2 C 13 17.537 0.090 . 1 . . . . 91 ILE CG2 . 7272 1 1135 . 1 1 91 91 ILE CD1 C 13 13.908 0.1 . 1 . . . . 91 ILE CD1 . 7272 1 1136 . 1 1 91 91 ILE N N 15 117.420 0.027 . 1 . . . . 91 ILE N . 7272 1 1137 . 1 1 92 92 LEU H H 1 7.267 0.003 . 1 . . . . 92 LEU H . 7272 1 1138 . 1 1 92 92 LEU HA H 1 3.784 0.004 . 1 . . . . 92 LEU HA . 7272 1 1139 . 1 1 92 92 LEU HB2 H 1 1.441 0.018 . 2 . . . . 92 LEU HB2 . 7272 1 1140 . 1 1 92 92 LEU HB3 H 1 1.698 0.014 . 2 . . . . 92 LEU HB3 . 7272 1 1141 . 1 1 92 92 LEU HD11 H 1 0.648 0.012 . 1 . . . . 92 LEU HD1 . 7272 1 1142 . 1 1 92 92 LEU HD12 H 1 0.648 0.012 . 1 . . . . 92 LEU HD1 . 7272 1 1143 . 1 1 92 92 LEU HD13 H 1 0.648 0.012 . 1 . . . . 92 LEU HD1 . 7272 1 1144 . 1 1 92 92 LEU C C 13 177.262 0.010 . 1 . . . . 92 LEU C . 7272 1 1145 . 1 1 92 92 LEU CA C 13 55.645 0.017 . 1 . . . . 92 LEU CA . 7272 1 1146 . 1 1 92 92 LEU CB C 13 41.054 0.051 . 1 . . . . 92 LEU CB . 7272 1 1147 . 1 1 92 92 LEU CD1 C 13 22.361 0.1 . 1 . . . . 92 LEU CD1 . 7272 1 1148 . 1 1 92 92 LEU N N 15 117.203 0.017 . 1 . . . . 92 LEU N . 7272 1 1149 . 1 1 93 93 GLU H H 1 7.348 0.006 . 1 . . . . 93 GLU H . 7272 1 1150 . 1 1 93 93 GLU HA H 1 4.089 0.003 . 1 . . . . 93 GLU HA . 7272 1 1151 . 1 1 93 93 GLU HB2 H 1 2.000 0.01 . 2 . . . . 93 GLU HB2 . 7272 1 1152 . 1 1 93 93 GLU HB3 H 1 2.017 0.016 . 2 . . . . 93 GLU HB3 . 7272 1 1153 . 1 1 93 93 GLU HG2 H 1 2.250 0.01 . 1 . . . . 93 GLU HG2 . 7272 1 1154 . 1 1 93 93 GLU HG3 H 1 2.250 0.01 . 1 . . . . 93 GLU HG3 . 7272 1 1155 . 1 1 93 93 GLU C C 13 176.715 0.009 . 1 . . . . 93 GLU C . 7272 1 1156 . 1 1 93 93 GLU CA C 13 57.521 0.004 . 1 . . . . 93 GLU CA . 7272 1 1157 . 1 1 93 93 GLU CB C 13 29.968 0.1 . 1 . . . . 93 GLU CB . 7272 1 1158 . 1 1 93 93 GLU CG C 13 36.531 0.1 . 1 . . . . 93 GLU CG . 7272 1 1159 . 1 1 93 93 GLU N N 15 115.402 0.012 . 1 . . . . 93 GLU N . 7272 1 1160 . 1 1 94 94 GLU H H 1 7.426 0.005 . 1 . . . . 94 GLU H . 7272 1 1161 . 1 1 94 94 GLU HA H 1 4.754 0.006 . 1 . . . . 94 GLU HA . 7272 1 1162 . 1 1 94 94 GLU HB2 H 1 1.847 0.002 . 2 . . . . 94 GLU HB2 . 7272 1 1163 . 1 1 94 94 GLU HB3 H 1 2.064 0.01 . 2 . . . . 94 GLU HB3 . 7272 1 1164 . 1 1 94 94 GLU HG2 H 1 2.182 0.01 . 2 . . . . 94 GLU HG2 . 7272 1 1165 . 1 1 94 94 GLU HG3 H 1 2.191 0.008 . 2 . . . . 94 GLU HG3 . 7272 1 1166 . 1 1 94 94 GLU C C 13 172.467 0.1 . 1 . . . . 94 GLU C . 7272 1 1167 . 1 1 94 94 GLU CA C 13 53.158 0.1 . 1 . . . . 94 GLU CA . 7272 1 1168 . 1 1 94 94 GLU CB C 13 29.886 0.1 . 1 . . . . 94 GLU CB . 7272 1 1169 . 1 1 94 94 GLU CG C 13 35.914 0.1 . 1 . . . . 94 GLU CG . 7272 1 1170 . 1 1 94 94 GLU N N 15 117.577 0.013 . 1 . . . . 94 GLU N . 7272 1 1171 . 1 1 95 95 PRO HA H 1 4.631 0.015 . 1 . . . . 95 PRO HA . 7272 1 1172 . 1 1 95 95 PRO HB2 H 1 1.914 0.007 . 2 . . . . 95 PRO HB2 . 7272 1 1173 . 1 1 95 95 PRO HB3 H 1 2.057 0.002 . 2 . . . . 95 PRO HB3 . 7272 1 1174 . 1 1 95 95 PRO C C 13 175.334 0.1 . 1 . . . . 95 PRO C . 7272 1 1175 . 1 1 95 95 PRO CA C 13 63.050 0.1 . 1 . . . . 95 PRO CA . 7272 1 1176 . 1 1 95 95 PRO CB C 13 33.201 0.1 . 1 . . . . 95 PRO CB . 7272 1 1177 . 1 1 96 96 HIS H H 1 7.841 0.006 . 1 . . . . 96 HIS H . 7272 1 1178 . 1 1 96 96 HIS HA H 1 4.920 0.016 . 1 . . . . 96 HIS HA . 7272 1 1179 . 1 1 96 96 HIS HB2 H 1 3.117 0.01 . 2 . . . . 96 HIS HB2 . 7272 1 1180 . 1 1 96 96 HIS HB3 H 1 3.211 0.01 . 2 . . . . 96 HIS HB3 . 7272 1 1181 . 1 1 96 96 HIS HD2 H 1 7.165 0.01 . 1 . . . . 96 HIS HD2 . 7272 1 1182 . 1 1 96 96 HIS C C 13 174.097 0.1 . 1 . . . . 96 HIS C . 7272 1 1183 . 1 1 96 96 HIS CA C 13 54.841 0.1 . 1 . . . . 96 HIS CA . 7272 1 1184 . 1 1 96 96 HIS CB C 13 31.617 0.1 . 1 . . . . 96 HIS CB . 7272 1 1185 . 1 1 96 96 HIS CD2 C 13 119.950 0.1 . 1 . . . . 96 HIS CD2 . 7272 1 1186 . 1 1 96 96 HIS N N 15 118.200 0.039 . 1 . . . . 96 HIS N . 7272 1 1187 . 1 1 97 97 PRO HA H 1 4.175 0.01 . 1 . . . . 97 PRO HA . 7272 1 1188 . 1 1 97 97 PRO HB2 H 1 1.874 0.021 . 2 . . . . 97 PRO HB2 . 7272 1 1189 . 1 1 97 97 PRO HB3 H 1 2.450 0.01 . 2 . . . . 97 PRO HB3 . 7272 1 1190 . 1 1 97 97 PRO HG2 H 1 2.062 0.01 . 2 . . . . 97 PRO HG2 . 7272 1 1191 . 1 1 97 97 PRO HG3 H 1 2.176 0.01 . 2 . . . . 97 PRO HG3 . 7272 1 1192 . 1 1 97 97 PRO HD3 H 1 3.721 0.01 . 1 . . . . 97 PRO HD3 . 7272 1 1193 . 1 1 97 97 PRO C C 13 176.333 0.009 . 1 . . . . 97 PRO C . 7272 1 1194 . 1 1 97 97 PRO CA C 13 66.063 0.1 . 1 . . . . 97 PRO CA . 7272 1 1195 . 1 1 97 97 PRO CB C 13 32.544 0.1 . 1 . . . . 97 PRO CB . 7272 1 1196 . 1 1 98 98 LEU H H 1 8.240 0.005 . 1 . . . . 98 LEU H . 7272 1 1197 . 1 1 98 98 LEU HA H 1 4.898 0.014 . 1 . . . . 98 LEU HA . 7272 1 1198 . 1 1 98 98 LEU HB3 H 1 1.770 0.009 . 1 . . . . 98 LEU HB3 . 7272 1 1199 . 1 1 98 98 LEU HG H 1 1.960 0.028 . 1 . . . . 98 LEU HG . 7272 1 1200 . 1 1 98 98 LEU HD11 H 1 0.923 0.009 . 2 . . . . 98 LEU HD1 . 7272 1 1201 . 1 1 98 98 LEU HD12 H 1 0.923 0.009 . 2 . . . . 98 LEU HD1 . 7272 1 1202 . 1 1 98 98 LEU HD13 H 1 0.923 0.009 . 2 . . . . 98 LEU HD1 . 7272 1 1203 . 1 1 98 98 LEU HD21 H 1 1.007 0.004 . 2 . . . . 98 LEU HD2 . 7272 1 1204 . 1 1 98 98 LEU HD22 H 1 1.007 0.004 . 2 . . . . 98 LEU HD2 . 7272 1 1205 . 1 1 98 98 LEU HD23 H 1 1.007 0.004 . 2 . . . . 98 LEU HD2 . 7272 1 1206 . 1 1 98 98 LEU C C 13 180.463 0.036 . 1 . . . . 98 LEU C . 7272 1 1207 . 1 1 98 98 LEU CA C 13 53.736 0.008 . 1 . . . . 98 LEU CA . 7272 1 1208 . 1 1 98 98 LEU CB C 13 41.049 0.034 . 1 . . . . 98 LEU CB . 7272 1 1209 . 1 1 98 98 LEU CG C 13 27.350 0.036 . 1 . . . . 98 LEU CG . 7272 1 1210 . 1 1 98 98 LEU CD1 C 13 22.549 0.071 . 2 . . . . 98 LEU CD1 . 7272 1 1211 . 1 1 98 98 LEU CD2 C 13 24.851 0.1 . 2 . . . . 98 LEU CD2 . 7272 1 1212 . 1 1 98 98 LEU N N 15 113.374 0.032 . 1 . . . . 98 LEU N . 7272 1 1213 . 1 1 99 99 MET H H 1 7.568 0.017 . 1 . . . . 99 MET H . 7272 1 1214 . 1 1 99 99 MET HA H 1 3.822 0.015 . 1 . . . . 99 MET HA . 7272 1 1215 . 1 1 99 99 MET HB2 H 1 1.920 0.01 . 1 . . . . 99 MET HB2 . 7272 1 1216 . 1 1 99 99 MET HB3 H 1 1.920 0.01 . 1 . . . . 99 MET HB3 . 7272 1 1217 . 1 1 99 99 MET HG2 H 1 2.055 0.006 . 1 . . . . 99 MET HG2 . 7272 1 1218 . 1 1 99 99 MET HE1 H 1 1.547 0.007 . 1 . . . . 99 MET HE . 7272 1 1219 . 1 1 99 99 MET HE2 H 1 1.547 0.007 . 1 . . . . 99 MET HE . 7272 1 1220 . 1 1 99 99 MET HE3 H 1 1.547 0.007 . 1 . . . . 99 MET HE . 7272 1 1221 . 1 1 99 99 MET C C 13 175.668 0.005 . 1 . . . . 99 MET C . 7272 1 1222 . 1 1 99 99 MET CA C 13 59.203 0.023 . 1 . . . . 99 MET CA . 7272 1 1223 . 1 1 99 99 MET CB C 13 32.534 0.035 . 1 . . . . 99 MET CB . 7272 1 1224 . 1 1 99 99 MET CE C 13 16.422 0.033 . 1 . . . . 99 MET CE . 7272 1 1225 . 1 1 99 99 MET N N 15 119.681 0.034 . 1 . . . . 99 MET N . 7272 1 1226 . 1 1 100 100 PHE H H 1 9.189 0.005 . 1 . . . . 100 PHE H . 7272 1 1227 . 1 1 100 100 PHE HA H 1 4.843 0.01 . 1 . . . . 100 PHE HA . 7272 1 1228 . 1 1 100 100 PHE HB2 H 1 2.589 0.01 . 2 . . . . 100 PHE HB2 . 7272 1 1229 . 1 1 100 100 PHE HB3 H 1 3.545 0.01 . 2 . . . . 100 PHE HB3 . 7272 1 1230 . 1 1 100 100 PHE HE1 H 1 6.425 0.009 . 1 . . . . 100 PHE HE . 7272 1 1231 . 1 1 100 100 PHE HE2 H 1 6.425 0.009 . 1 . . . . 100 PHE HE . 7272 1 1232 . 1 1 100 100 PHE HZ H 1 7.087 0.026 . 1 . . . . 100 PHE HZ . 7272 1 1233 . 1 1 100 100 PHE C C 13 176.140 0.006 . 1 . . . . 100 PHE C . 7272 1 1234 . 1 1 100 100 PHE CA C 13 57.545 0.1 . 1 . . . . 100 PHE CA . 7272 1 1235 . 1 1 100 100 PHE CB C 13 40.028 0.031 . 1 . . . . 100 PHE CB . 7272 1 1236 . 1 1 100 100 PHE CD1 C 13 131.425 0.1 . 1 . . . . 100 PHE CD . 7272 1 1237 . 1 1 100 100 PHE CD2 C 13 131.425 0.1 . 1 . . . . 100 PHE CD . 7272 1 1238 . 1 1 100 100 PHE CE1 C 13 130.662 0.1 . 1 . . . . 100 PHE CE . 7272 1 1239 . 1 1 100 100 PHE CE2 C 13 130.662 0.1 . 1 . . . . 100 PHE CE . 7272 1 1240 . 1 1 100 100 PHE N N 15 118.232 0.019 . 1 . . . . 100 PHE N . 7272 1 1241 . 1 1 101 101 GLN H H 1 7.638 0.005 . 1 . . . . 101 GLN H . 7272 1 1242 . 1 1 101 101 GLN HA H 1 3.900 0.009 . 1 . . . . 101 GLN HA . 7272 1 1243 . 1 1 101 101 GLN HB2 H 1 2.165 0.002 . 1 . . . . 101 GLN HB2 . 7272 1 1244 . 1 1 101 101 GLN HB3 H 1 2.165 0.002 . 1 . . . . 101 GLN HB3 . 7272 1 1245 . 1 1 101 101 GLN HG2 H 1 2.356 0.002 . 1 . . . . 101 GLN HG2 . 7272 1 1246 . 1 1 101 101 GLN HG3 H 1 2.356 0.002 . 1 . . . . 101 GLN HG3 . 7272 1 1247 . 1 1 101 101 GLN HE21 H 1 6.726 0.002 . 2 . . . . 101 GLN HE21 . 7272 1 1248 . 1 1 101 101 GLN HE22 H 1 7.757 0.002 . 2 . . . . 101 GLN HE22 . 7272 1 1249 . 1 1 101 101 GLN C C 13 176.853 0.006 . 1 . . . . 101 GLN C . 7272 1 1250 . 1 1 101 101 GLN CA C 13 59.808 0.023 . 1 . . . . 101 GLN CA . 7272 1 1251 . 1 1 101 101 GLN CB C 13 29.386 0.041 . 1 . . . . 101 GLN CB . 7272 1 1252 . 1 1 101 101 GLN CG C 13 33.599 0.064 . 1 . . . . 101 GLN CG . 7272 1 1253 . 1 1 101 101 GLN N N 15 122.157 0.035 . 1 . . . . 101 GLN N . 7272 1 1254 . 1 1 101 101 GLN NE2 N 15 116.098 0.010 . 1 . . . . 101 GLN NE2 . 7272 1 1255 . 1 1 102 102 LYS H H 1 8.432 0.006 . 1 . . . . 102 LYS H . 7272 1 1256 . 1 1 102 102 LYS HA H 1 4.276 0.008 . 1 . . . . 102 LYS HA . 7272 1 1257 . 1 1 102 102 LYS HB2 H 1 1.914 0.008 . 1 . . . . 102 LYS HB2 . 7272 1 1258 . 1 1 102 102 LYS HB3 H 1 1.914 0.008 . 1 . . . . 102 LYS HB3 . 7272 1 1259 . 1 1 102 102 LYS HG2 H 1 1.623 0.01 . 1 . . . . 102 LYS HG2 . 7272 1 1260 . 1 1 102 102 LYS HG3 H 1 1.623 0.01 . 1 . . . . 102 LYS HG3 . 7272 1 1261 . 1 1 102 102 LYS HD2 H 1 1.779 0.01 . 1 . . . . 102 LYS HD2 . 7272 1 1262 . 1 1 102 102 LYS HD3 H 1 1.779 0.01 . 1 . . . . 102 LYS HD3 . 7272 1 1263 . 1 1 102 102 LYS HE2 H 1 3.027 0.01 . 1 . . . . 102 LYS HE2 . 7272 1 1264 . 1 1 102 102 LYS C C 13 180.356 0.013 . 1 . . . . 102 LYS C . 7272 1 1265 . 1 1 102 102 LYS CA C 13 59.723 0.024 . 1 . . . . 102 LYS CA . 7272 1 1266 . 1 1 102 102 LYS CB C 13 31.737 0.073 . 1 . . . . 102 LYS CB . 7272 1 1267 . 1 1 102 102 LYS CG C 13 25.626 0.1 . 1 . . . . 102 LYS CG . 7272 1 1268 . 1 1 102 102 LYS CD C 13 29.243 0.1 . 1 . . . . 102 LYS CD . 7272 1 1269 . 1 1 102 102 LYS CE C 13 42.306 0.1 . 1 . . . . 102 LYS CE . 7272 1 1270 . 1 1 102 102 LYS N N 15 117.308 0.018 . 1 . . . . 102 LYS N . 7272 1 1271 . 1 1 103 103 LEU H H 1 7.591 0.010 . 1 . . . . 103 LEU H . 7272 1 1272 . 1 1 103 103 LEU HA H 1 4.287 0.012 . 1 . . . . 103 LEU HA . 7272 1 1273 . 1 1 103 103 LEU HB2 H 1 1.942 0.004 . 2 . . . . 103 LEU HB2 . 7272 1 1274 . 1 1 103 103 LEU HB3 H 1 2.101 0.052 . 2 . . . . 103 LEU HB3 . 7272 1 1275 . 1 1 103 103 LEU HG H 1 1.792 0.007 . 1 . . . . 103 LEU HG . 7272 1 1276 . 1 1 103 103 LEU HD11 H 1 0.887 0.015 . 2 . . . . 103 LEU HD1 . 7272 1 1277 . 1 1 103 103 LEU HD12 H 1 0.887 0.015 . 2 . . . . 103 LEU HD1 . 7272 1 1278 . 1 1 103 103 LEU HD13 H 1 0.887 0.015 . 2 . . . . 103 LEU HD1 . 7272 1 1279 . 1 1 103 103 LEU HD21 H 1 1.058 0.016 . 2 . . . . 103 LEU HD2 . 7272 1 1280 . 1 1 103 103 LEU HD22 H 1 1.058 0.016 . 2 . . . . 103 LEU HD2 . 7272 1 1281 . 1 1 103 103 LEU HD23 H 1 1.058 0.016 . 2 . . . . 103 LEU HD2 . 7272 1 1282 . 1 1 103 103 LEU C C 13 178.742 0.001 . 1 . . . . 103 LEU C . 7272 1 1283 . 1 1 103 103 LEU CA C 13 57.715 0.024 . 1 . . . . 103 LEU CA . 7272 1 1284 . 1 1 103 103 LEU CB C 13 42.297 0.098 . 1 . . . . 103 LEU CB . 7272 1 1285 . 1 1 103 103 LEU CG C 13 27.172 0.018 . 1 . . . . 103 LEU CG . 7272 1 1286 . 1 1 103 103 LEU CD1 C 13 25.313 0.1 . 2 . . . . 103 LEU CD1 . 7272 1 1287 . 1 1 103 103 LEU CD2 C 13 24.807 0.040 . 2 . . . . 103 LEU CD2 . 7272 1 1288 . 1 1 103 103 LEU N N 15 119.615 0.033 . 1 . . . . 103 LEU N . 7272 1 1289 . 1 1 104 104 GLN H H 1 9.129 0.003 . 1 . . . . 104 GLN H . 7272 1 1290 . 1 1 104 104 GLN HA H 1 3.819 0.008 . 1 . . . . 104 GLN HA . 7272 1 1291 . 1 1 104 104 GLN HB2 H 1 1.735 0.018 . 2 . . . . 104 GLN HB2 . 7272 1 1292 . 1 1 104 104 GLN HB3 H 1 1.752 0.005 . 2 . . . . 104 GLN HB3 . 7272 1 1293 . 1 1 104 104 GLN HG2 H 1 2.273 0.01 . 1 . . . . 104 GLN HG2 . 7272 1 1294 . 1 1 104 104 GLN C C 13 178.712 0.004 . 1 . . . . 104 GLN C . 7272 1 1295 . 1 1 104 104 GLN CA C 13 60.326 0.1 . 1 . . . . 104 GLN CA . 7272 1 1296 . 1 1 104 104 GLN CB C 13 27.461 0.025 . 1 . . . . 104 GLN CB . 7272 1 1297 . 1 1 104 104 GLN N N 15 121.411 0.037 . 1 . . . . 104 GLN N . 7272 1 1298 . 1 1 105 105 ASP H H 1 8.816 0.007 . 1 . . . . 105 ASP H . 7272 1 1299 . 1 1 105 105 ASP HA H 1 4.613 0.003 . 1 . . . . 105 ASP HA . 7272 1 1300 . 1 1 105 105 ASP HB2 H 1 2.754 0.012 . 2 . . . . 105 ASP HB2 . 7272 1 1301 . 1 1 105 105 ASP HB3 H 1 2.890 0.003 . 2 . . . . 105 ASP HB3 . 7272 1 1302 . 1 1 105 105 ASP C C 13 179.027 0.008 . 1 . . . . 105 ASP C . 7272 1 1303 . 1 1 105 105 ASP CA C 13 57.405 0.034 . 1 . . . . 105 ASP CA . 7272 1 1304 . 1 1 105 105 ASP CB C 13 39.907 0.1 . 1 . . . . 105 ASP CB . 7272 1 1305 . 1 1 105 105 ASP N N 15 119.786 0.025 . 1 . . . . 105 ASP N . 7272 1 1306 . 1 1 106 106 GLN H H 1 7.903 0.005 . 1 . . . . 106 GLN H . 7272 1 1307 . 1 1 106 106 GLN HA H 1 4.320 0.012 . 1 . . . . 106 GLN HA . 7272 1 1308 . 1 1 106 106 GLN HB2 H 1 2.324 0.024 . 2 . . . . 106 GLN HB2 . 7272 1 1309 . 1 1 106 106 GLN HB3 H 1 2.475 0.003 . 2 . . . . 106 GLN HB3 . 7272 1 1310 . 1 1 106 106 GLN HG2 H 1 2.479 0.002 . 2 . . . . 106 GLN HG2 . 7272 1 1311 . 1 1 106 106 GLN HG3 H 1 2.733 0.006 . 2 . . . . 106 GLN HG3 . 7272 1 1312 . 1 1 106 106 GLN HE21 H 1 7.022 0.002 . 2 . . . . 106 GLN HE21 . 7272 1 1313 . 1 1 106 106 GLN HE22 H 1 7.373 0.002 . 2 . . . . 106 GLN HE22 . 7272 1 1314 . 1 1 106 106 GLN C C 13 179.757 0.002 . 1 . . . . 106 GLN C . 7272 1 1315 . 1 1 106 106 GLN CA C 13 59.543 0.059 . 1 . . . . 106 GLN CA . 7272 1 1316 . 1 1 106 106 GLN CB C 13 28.775 0.023 . 1 . . . . 106 GLN CB . 7272 1 1317 . 1 1 106 106 GLN CG C 13 34.437 0.1 . 1 . . . . 106 GLN CG . 7272 1 1318 . 1 1 106 106 GLN N N 15 120.279 0.036 . 1 . . . . 106 GLN N . 7272 1 1319 . 1 1 106 106 GLN NE2 N 15 110.309 0.014 . 1 . . . . 106 GLN NE2 . 7272 1 1320 . 1 1 107 107 ILE H H 1 8.414 0.013 . 1 . . . . 107 ILE H . 7272 1 1321 . 1 1 107 107 ILE HA H 1 4.217 0.010 . 1 . . . . 107 ILE HA . 7272 1 1322 . 1 1 107 107 ILE HB H 1 2.398 0.014 . 1 . . . . 107 ILE HB . 7272 1 1323 . 1 1 107 107 ILE HG12 H 1 1.547 0.005 . 2 . . . . 107 ILE HG12 . 7272 1 1324 . 1 1 107 107 ILE HG13 H 1 1.875 0.007 . 2 . . . . 107 ILE HG13 . 7272 1 1325 . 1 1 107 107 ILE HG21 H 1 1.446 0.008 . 1 . . . . 107 ILE HG2 . 7272 1 1326 . 1 1 107 107 ILE HG22 H 1 1.446 0.008 . 1 . . . . 107 ILE HG2 . 7272 1 1327 . 1 1 107 107 ILE HG23 H 1 1.446 0.008 . 1 . . . . 107 ILE HG2 . 7272 1 1328 . 1 1 107 107 ILE HD11 H 1 0.838 0.009 . 1 . . . . 107 ILE HD1 . 7272 1 1329 . 1 1 107 107 ILE HD12 H 1 0.838 0.009 . 1 . . . . 107 ILE HD1 . 7272 1 1330 . 1 1 107 107 ILE HD13 H 1 0.838 0.009 . 1 . . . . 107 ILE HD1 . 7272 1 1331 . 1 1 107 107 ILE C C 13 177.591 0.018 . 1 . . . . 107 ILE C . 7272 1 1332 . 1 1 107 107 ILE CA C 13 61.960 0.064 . 1 . . . . 107 ILE CA . 7272 1 1333 . 1 1 107 107 ILE CB C 13 36.912 0.034 . 1 . . . . 107 ILE CB . 7272 1 1334 . 1 1 107 107 ILE CG1 C 13 29.631 0.040 . 1 . . . . 107 ILE CG1 . 7272 1 1335 . 1 1 107 107 ILE CG2 C 13 19.911 0.029 . 1 . . . . 107 ILE CG2 . 7272 1 1336 . 1 1 107 107 ILE CD1 C 13 11.283 0.1 . 1 . . . . 107 ILE CD1 . 7272 1 1337 . 1 1 107 107 ILE N N 15 121.880 0.051 . 1 . . . . 107 ILE N . 7272 1 1338 . 1 1 108 108 PHE H H 1 9.122 0.003 . 1 . . . . 108 PHE H . 7272 1 1339 . 1 1 108 108 PHE HA H 1 3.765 0.016 . 1 . . . . 108 PHE HA . 7272 1 1340 . 1 1 108 108 PHE HB2 H 1 3.496 0.016 . 2 . . . . 108 PHE HB2 . 7272 1 1341 . 1 1 108 108 PHE HB3 H 1 3.497 0.01 . 2 . . . . 108 PHE HB3 . 7272 1 1342 . 1 1 108 108 PHE HD1 H 1 6.752 0.005 . 1 . . . . 108 PHE HD . 7272 1 1343 . 1 1 108 108 PHE HD2 H 1 6.752 0.005 . 1 . . . . 108 PHE HD . 7272 1 1344 . 1 1 108 108 PHE C C 13 176.756 0.002 . 1 . . . . 108 PHE C . 7272 1 1345 . 1 1 108 108 PHE CA C 13 62.596 0.1 . 1 . . . . 108 PHE CA . 7272 1 1346 . 1 1 108 108 PHE CB C 13 39.312 0.043 . 1 . . . . 108 PHE CB . 7272 1 1347 . 1 1 108 108 PHE CD1 C 13 131.828 0.1 . 1 . . . . 108 PHE CD . 7272 1 1348 . 1 1 108 108 PHE CD2 C 13 131.828 0.1 . 1 . . . . 108 PHE CD . 7272 1 1349 . 1 1 108 108 PHE N N 15 123.827 0.014 . 1 . . . . 108 PHE N . 7272 1 1350 . 1 1 109 109 ASN H H 1 8.247 0.008 . 1 . . . . 109 ASN H . 7272 1 1351 . 1 1 109 109 ASN HA H 1 4.391 0.01 . 1 . . . . 109 ASN HA . 7272 1 1352 . 1 1 109 109 ASN HB2 H 1 2.993 0.004 . 1 . . . . 109 ASN HB2 . 7272 1 1353 . 1 1 109 109 ASN HB3 H 1 2.993 0.004 . 1 . . . . 109 ASN HB3 . 7272 1 1354 . 1 1 109 109 ASN HD21 H 1 7.090 0.002 . 2 . . . . 109 ASN HD21 . 7272 1 1355 . 1 1 109 109 ASN HD22 H 1 7.633 0.003 . 2 . . . . 109 ASN HD22 . 7272 1 1356 . 1 1 109 109 ASN C C 13 177.022 0.007 . 1 . . . . 109 ASN C . 7272 1 1357 . 1 1 109 109 ASN CA C 13 56.445 0.061 . 1 . . . . 109 ASN CA . 7272 1 1358 . 1 1 109 109 ASN CB C 13 38.519 0.030 . 1 . . . . 109 ASN CB . 7272 1 1359 . 1 1 109 109 ASN N N 15 117.278 0.022 . 1 . . . . 109 ASN N . 7272 1 1360 . 1 1 109 109 ASN ND2 N 15 112.402 0.019 . 1 . . . . 109 ASN ND2 . 7272 1 1361 . 1 1 110 110 LEU H H 1 8.046 0.004 . 1 . . . . 110 LEU H . 7272 1 1362 . 1 1 110 110 LEU HA H 1 4.271 0.036 . 1 . . . . 110 LEU HA . 7272 1 1363 . 1 1 110 110 LEU HB2 H 1 1.920 0.009 . 2 . . . . 110 LEU HB2 . 7272 1 1364 . 1 1 110 110 LEU HB3 H 1 2.045 0.015 . 2 . . . . 110 LEU HB3 . 7272 1 1365 . 1 1 110 110 LEU HG H 1 1.813 0.01 . 1 . . . . 110 LEU HG . 7272 1 1366 . 1 1 110 110 LEU HD11 H 1 1.056 0.014 . 1 . . . . 110 LEU HD1 . 7272 1 1367 . 1 1 110 110 LEU HD12 H 1 1.056 0.014 . 1 . . . . 110 LEU HD1 . 7272 1 1368 . 1 1 110 110 LEU HD13 H 1 1.056 0.014 . 1 . . . . 110 LEU HD1 . 7272 1 1369 . 1 1 110 110 LEU C C 13 180.898 0.005 . 1 . . . . 110 LEU C . 7272 1 1370 . 1 1 110 110 LEU CA C 13 58.042 0.096 . 1 . . . . 110 LEU CA . 7272 1 1371 . 1 1 110 110 LEU CB C 13 42.169 0.064 . 1 . . . . 110 LEU CB . 7272 1 1372 . 1 1 110 110 LEU CG C 13 27.434 0.1 . 1 . . . . 110 LEU CG . 7272 1 1373 . 1 1 110 110 LEU CD1 C 13 24.692 0.1 . 1 . . . . 110 LEU CD1 . 7272 1 1374 . 1 1 110 110 LEU N N 15 121.031 0.049 . 1 . . . . 110 LEU N . 7272 1 1375 . 1 1 111 111 MET H H 1 8.016 0.007 . 1 . . . . 111 MET H . 7272 1 1376 . 1 1 111 111 MET HA H 1 4.341 0.018 . 1 . . . . 111 MET HA . 7272 1 1377 . 1 1 111 111 MET HB3 H 1 1.797 0.003 . 1 . . . . 111 MET HB3 . 7272 1 1378 . 1 1 111 111 MET HG2 H 1 2.765 0.01 . 1 . . . . 111 MET HG2 . 7272 1 1379 . 1 1 111 111 MET HE1 H 1 1.806 0.003 . 1 . . . . 111 MET HE . 7272 1 1380 . 1 1 111 111 MET HE2 H 1 1.806 0.003 . 1 . . . . 111 MET HE . 7272 1 1381 . 1 1 111 111 MET HE3 H 1 1.806 0.003 . 1 . . . . 111 MET HE . 7272 1 1382 . 1 1 111 111 MET C C 13 178.090 0.002 . 1 . . . . 111 MET C . 7272 1 1383 . 1 1 111 111 MET CA C 13 59.412 0.027 . 1 . . . . 111 MET CA . 7272 1 1384 . 1 1 111 111 MET CB C 13 34.868 0.049 . 1 . . . . 111 MET CB . 7272 1 1385 . 1 1 111 111 MET CE C 13 16.174 0.030 . 1 . . . . 111 MET CE . 7272 1 1386 . 1 1 111 111 MET N N 15 116.948 0.029 . 1 . . . . 111 MET N . 7272 1 1387 . 1 1 112 112 LYS H H 1 8.586 0.006 . 1 . . . . 112 LYS H . 7272 1 1388 . 1 1 112 112 LYS HA H 1 3.382 0.019 . 1 . . . . 112 LYS HA . 7272 1 1389 . 1 1 112 112 LYS HB2 H 1 1.068 0.016 . 2 . . . . 112 LYS HB2 . 7272 1 1390 . 1 1 112 112 LYS HB3 H 1 1.367 0.004 . 2 . . . . 112 LYS HB3 . 7272 1 1391 . 1 1 112 112 LYS C C 13 177.142 0.004 . 1 . . . . 112 LYS C . 7272 1 1392 . 1 1 112 112 LYS CA C 13 60.202 0.091 . 1 . . . . 112 LYS CA . 7272 1 1393 . 1 1 112 112 LYS CB C 13 32.861 0.008 . 1 . . . . 112 LYS CB . 7272 1 1394 . 1 1 112 112 LYS N N 15 120.478 0.063 . 1 . . . . 112 LYS N . 7272 1 1395 . 1 1 113 113 TYR H H 1 7.444 0.005 . 1 . . . . 113 TYR H . 7272 1 1396 . 1 1 113 113 TYR HA H 1 4.634 0.011 . 1 . . . . 113 TYR HA . 7272 1 1397 . 1 1 113 113 TYR HB2 H 1 2.951 0.011 . 2 . . . . 113 TYR HB2 . 7272 1 1398 . 1 1 113 113 TYR HB3 H 1 3.399 0.004 . 2 . . . . 113 TYR HB3 . 7272 1 1399 . 1 1 113 113 TYR HD1 H 1 7.402 0.015 . 1 . . . . 113 TYR HD . 7272 1 1400 . 1 1 113 113 TYR HD2 H 1 7.402 0.015 . 1 . . . . 113 TYR HD . 7272 1 1401 . 1 1 113 113 TYR HE1 H 1 6.896 0.01 . 1 . . . . 113 TYR HE . 7272 1 1402 . 1 1 113 113 TYR HE2 H 1 6.896 0.01 . 1 . . . . 113 TYR HE . 7272 1 1403 . 1 1 113 113 TYR C C 13 175.506 0.014 . 1 . . . . 113 TYR C . 7272 1 1404 . 1 1 113 113 TYR CA C 13 58.769 0.1 . 1 . . . . 113 TYR CA . 7272 1 1405 . 1 1 113 113 TYR CB C 13 38.017 0.015 . 1 . . . . 113 TYR CB . 7272 1 1406 . 1 1 113 113 TYR CD1 C 13 133.407 0.1 . 1 . . . . 113 TYR CD . 7272 1 1407 . 1 1 113 113 TYR CD2 C 13 133.407 0.1 . 1 . . . . 113 TYR CD . 7272 1 1408 . 1 1 113 113 TYR CE1 C 13 117.972 0.1 . 1 . . . . 113 TYR CE . 7272 1 1409 . 1 1 113 113 TYR CE2 C 13 117.972 0.1 . 1 . . . . 113 TYR CE . 7272 1 1410 . 1 1 113 113 TYR N N 15 111.292 0.026 . 1 . . . . 113 TYR N . 7272 1 1411 . 1 1 114 114 ASP H H 1 7.641 0.012 . 1 . . . . 114 ASP H . 7272 1 1412 . 1 1 114 114 ASP HA H 1 5.134 0.01 . 1 . . . . 114 ASP HA . 7272 1 1413 . 1 1 114 114 ASP HB2 H 1 2.973 0.01 . 1 . . . . 114 ASP HB2 . 7272 1 1414 . 1 1 114 114 ASP HB3 H 1 2.973 0.01 . 1 . . . . 114 ASP HB3 . 7272 1 1415 . 1 1 114 114 ASP C C 13 175.434 0.016 . 1 . . . . 114 ASP C . 7272 1 1416 . 1 1 114 114 ASP CA C 13 55.655 0.033 . 1 . . . . 114 ASP CA . 7272 1 1417 . 1 1 114 114 ASP CB C 13 42.295 0.023 . 1 . . . . 114 ASP CB . 7272 1 1418 . 1 1 114 114 ASP N N 15 117.276 0.031 . 1 . . . . 114 ASP N . 7272 1 1419 . 1 1 115 115 SER H H 1 8.039 0.014 . 1 . . . . 115 SER H . 7272 1 1420 . 1 1 115 115 SER HA H 1 4.078 0.008 . 1 . . . . 115 SER HA . 7272 1 1421 . 1 1 115 115 SER HB2 H 1 3.979 0.01 . 1 . . . . 115 SER HB2 . 7272 1 1422 . 1 1 115 115 SER HB3 H 1 3.979 0.01 . 1 . . . . 115 SER HB3 . 7272 1 1423 . 1 1 115 115 SER C C 13 176.559 0.1 . 1 . . . . 115 SER C . 7272 1 1424 . 1 1 115 115 SER CA C 13 62.674 0.1 . 1 . . . . 115 SER CA . 7272 1 1425 . 1 1 115 115 SER CB C 13 64.837 0.1 . 1 . . . . 115 SER CB . 7272 1 1426 . 1 1 115 115 SER N N 15 116.990 0.036 . 1 . . . . 115 SER N . 7272 1 1427 . 1 1 116 116 TYR H H 1 9.307 0.009 . 1 . . . . 116 TYR H . 7272 1 1428 . 1 1 116 116 TYR HA H 1 4.188 0.006 . 1 . . . . 116 TYR HA . 7272 1 1429 . 1 1 116 116 TYR HB2 H 1 2.580 0.002 . 2 . . . . 116 TYR HB2 . 7272 1 1430 . 1 1 116 116 TYR HB3 H 1 3.079 0.008 . 2 . . . . 116 TYR HB3 . 7272 1 1431 . 1 1 116 116 TYR HD1 H 1 7.089 0.024 . 1 . . . . 116 TYR HD . 7272 1 1432 . 1 1 116 116 TYR HD2 H 1 7.089 0.024 . 1 . . . . 116 TYR HD . 7272 1 1433 . 1 1 116 116 TYR HE1 H 1 6.535 0.007 . 1 . . . . 116 TYR HE . 7272 1 1434 . 1 1 116 116 TYR HE2 H 1 6.535 0.007 . 1 . . . . 116 TYR HE . 7272 1 1435 . 1 1 116 116 TYR C C 13 175.494 0.013 . 1 . . . . 116 TYR C . 7272 1 1436 . 1 1 116 116 TYR CA C 13 60.564 0.172 . 1 . . . . 116 TYR CA . 7272 1 1437 . 1 1 116 116 TYR CB C 13 38.038 0.055 . 1 . . . . 116 TYR CB . 7272 1 1438 . 1 1 116 116 TYR CD1 C 13 130.729 0.1 . 1 . . . . 116 TYR CD . 7272 1 1439 . 1 1 116 116 TYR CD2 C 13 130.729 0.1 . 1 . . . . 116 TYR CD . 7272 1 1440 . 1 1 116 116 TYR CE1 C 13 117.334 0.019 . 1 . . . . 116 TYR CE . 7272 1 1441 . 1 1 116 116 TYR CE2 C 13 117.334 0.019 . 1 . . . . 116 TYR CE . 7272 1 1442 . 1 1 116 116 TYR N N 15 122.403 0.019 . 1 . . . . 116 TYR N . 7272 1 1443 . 1 1 117 117 SER H H 1 6.560 0.005 . 1 . . . . 117 SER H . 7272 1 1444 . 1 1 117 117 SER HA H 1 3.658 0.014 . 1 . . . . 117 SER HA . 7272 1 1445 . 1 1 117 117 SER HB2 H 1 3.857 0.011 . 2 . . . . 117 SER HB2 . 7272 1 1446 . 1 1 117 117 SER HB3 H 1 3.872 0.01 . 2 . . . . 117 SER HB3 . 7272 1 1447 . 1 1 117 117 SER C C 13 177.650 0.001 . 1 . . . . 117 SER C . 7272 1 1448 . 1 1 117 117 SER CA C 13 60.916 0.064 . 1 . . . . 117 SER CA . 7272 1 1449 . 1 1 117 117 SER CB C 13 62.784 0.050 . 1 . . . . 117 SER CB . 7272 1 1450 . 1 1 117 117 SER N N 15 110.548 0.027 . 1 . . . . 117 SER N . 7272 1 1451 . 1 1 118 118 ARG H H 1 7.671 0.006 . 1 . . . . 118 ARG H . 7272 1 1452 . 1 1 118 118 ARG HA H 1 3.951 0.004 . 1 . . . . 118 ARG HA . 7272 1 1453 . 1 1 118 118 ARG HB2 H 1 2.012 0.047 . 2 . . . . 118 ARG HB2 . 7272 1 1454 . 1 1 118 118 ARG HB3 H 1 2.046 0.010 . 2 . . . . 118 ARG HB3 . 7272 1 1455 . 1 1 118 118 ARG C C 13 179.734 0.1 . 1 . . . . 118 ARG C . 7272 1 1456 . 1 1 118 118 ARG CA C 13 59.787 0.037 . 1 . . . . 118 ARG CA . 7272 1 1457 . 1 1 118 118 ARG CB C 13 30.494 0.041 . 1 . . . . 118 ARG CB . 7272 1 1458 . 1 1 118 118 ARG N N 15 118.138 0.064 . 1 . . . . 118 ARG N . 7272 1 1459 . 1 1 119 119 PHE H H 1 8.699 0.004 . 1 . . . . 119 PHE H . 7272 1 1460 . 1 1 119 119 PHE HA H 1 3.009 0.014 . 1 . . . . 119 PHE HA . 7272 1 1461 . 1 1 119 119 PHE HB3 H 1 2.702 0.007 . 1 . . . . 119 PHE HB3 . 7272 1 1462 . 1 1 119 119 PHE HD1 H 1 6.658 0.015 . 1 . . . . 119 PHE HD . 7272 1 1463 . 1 1 119 119 PHE HD2 H 1 6.658 0.015 . 1 . . . . 119 PHE HD . 7272 1 1464 . 1 1 119 119 PHE HE1 H 1 6.675 0.008 . 1 . . . . 119 PHE HE . 7272 1 1465 . 1 1 119 119 PHE HE2 H 1 6.675 0.008 . 1 . . . . 119 PHE HE . 7272 1 1466 . 1 1 119 119 PHE C C 13 178.203 0.010 . 1 . . . . 119 PHE C . 7272 1 1467 . 1 1 119 119 PHE CA C 13 59.930 0.029 . 1 . . . . 119 PHE CA . 7272 1 1468 . 1 1 119 119 PHE CB C 13 38.653 0.005 . 1 . . . . 119 PHE CB . 7272 1 1469 . 1 1 119 119 PHE CD1 C 13 131.233 0.026 . 1 . . . . 119 PHE CD . 7272 1 1470 . 1 1 119 119 PHE CD2 C 13 131.233 0.026 . 1 . . . . 119 PHE CD . 7272 1 1471 . 1 1 119 119 PHE CE1 C 13 131.859 0.1 . 1 . . . . 119 PHE CE . 7272 1 1472 . 1 1 119 119 PHE CE2 C 13 131.859 0.1 . 1 . . . . 119 PHE CE . 7272 1 1473 . 1 1 119 119 PHE N N 15 125.188 0.078 . 1 . . . . 119 PHE N . 7272 1 1474 . 1 1 120 120 LEU H H 1 7.053 0.023 . 1 . . . . 120 LEU H . 7272 1 1475 . 1 1 120 120 LEU HA H 1 2.914 0.019 . 1 . . . . 120 LEU HA . 7272 1 1476 . 1 1 120 120 LEU HB2 H 1 0.900 0.022 . 2 . . . . 120 LEU HB2 . 7272 1 1477 . 1 1 120 120 LEU HB3 H 1 1.382 0.01 . 2 . . . . 120 LEU HB3 . 7272 1 1478 . 1 1 120 120 LEU HG H 1 1.082 0.008 . 1 . . . . 120 LEU HG . 7272 1 1479 . 1 1 120 120 LEU HD11 H 1 -0.111 0.019 . 2 . . . . 120 LEU HD1 . 7272 1 1480 . 1 1 120 120 LEU HD12 H 1 -0.111 0.019 . 2 . . . . 120 LEU HD1 . 7272 1 1481 . 1 1 120 120 LEU HD13 H 1 -0.111 0.019 . 2 . . . . 120 LEU HD1 . 7272 1 1482 . 1 1 120 120 LEU HD21 H 1 0.302 0.009 . 2 . . . . 120 LEU HD2 . 7272 1 1483 . 1 1 120 120 LEU HD22 H 1 0.302 0.009 . 2 . . . . 120 LEU HD2 . 7272 1 1484 . 1 1 120 120 LEU HD23 H 1 0.302 0.009 . 2 . . . . 120 LEU HD2 . 7272 1 1485 . 1 1 120 120 LEU C C 13 176.179 0.012 . 1 . . . . 120 LEU C . 7272 1 1486 . 1 1 120 120 LEU CA C 13 55.984 0.1 . 1 . . . . 120 LEU CA . 7272 1 1487 . 1 1 120 120 LEU CB C 13 40.702 0.025 . 1 . . . . 120 LEU CB . 7272 1 1488 . 1 1 120 120 LEU CD1 C 13 24.768 0.057 . 2 . . . . 120 LEU CD1 . 7272 1 1489 . 1 1 120 120 LEU CD2 C 13 20.719 0.018 . 2 . . . . 120 LEU CD2 . 7272 1 1490 . 1 1 120 120 LEU N N 15 117.196 0.050 . 1 . . . . 120 LEU N . 7272 1 1491 . 1 1 121 121 LYS H H 1 6.788 0.021 . 1 . . . . 121 LYS H . 7272 1 1492 . 1 1 121 121 LYS HA H 1 4.371 0.009 . 1 . . . . 121 LYS HA . 7272 1 1493 . 1 1 121 121 LYS HB2 H 1 1.602 0.013 . 2 . . . . 121 LYS HB2 . 7272 1 1494 . 1 1 121 121 LYS HB3 H 1 2.035 0.005 . 2 . . . . 121 LYS HB3 . 7272 1 1495 . 1 1 121 121 LYS HE2 H 1 2.933 0.01 . 1 . . . . 121 LYS HE2 . 7272 1 1496 . 1 1 121 121 LYS C C 13 176.091 0.002 . 1 . . . . 121 LYS C . 7272 1 1497 . 1 1 121 121 LYS CA C 13 54.783 0.014 . 1 . . . . 121 LYS CA . 7272 1 1498 . 1 1 121 121 LYS CB C 13 32.769 0.073 . 1 . . . . 121 LYS CB . 7272 1 1499 . 1 1 121 121 LYS CG C 13 24.936 0.1 . 1 . . . . 121 LYS CG . 7272 1 1500 . 1 1 121 121 LYS CD C 13 29.589 0.1 . 1 . . . . 121 LYS CD . 7272 1 1501 . 1 1 121 121 LYS CE C 13 42.161 0.1 . 1 . . . . 121 LYS CE . 7272 1 1502 . 1 1 121 121 LYS N N 15 114.365 0.096 . 1 . . . . 121 LYS N . 7272 1 1503 . 1 1 122 122 SER H H 1 7.684 0.011 . 1 . . . . 122 SER H . 7272 1 1504 . 1 1 122 122 SER HA H 1 4.513 0.013 . 1 . . . . 122 SER HA . 7272 1 1505 . 1 1 122 122 SER HB2 H 1 4.114 0.01 . 1 . . . . 122 SER HB2 . 7272 1 1506 . 1 1 122 122 SER HB3 H 1 4.114 0.01 . 1 . . . . 122 SER HB3 . 7272 1 1507 . 1 1 122 122 SER C C 13 174.712 0.011 . 1 . . . . 122 SER C . 7272 1 1508 . 1 1 122 122 SER CA C 13 58.363 0.078 . 1 . . . . 122 SER CA . 7272 1 1509 . 1 1 122 122 SER CB C 13 66.371 0.001 . 1 . . . . 122 SER CB . 7272 1 1510 . 1 1 122 122 SER N N 15 117.227 0.089 . 1 . . . . 122 SER N . 7272 1 1511 . 1 1 123 123 ASP H H 1 9.024 0.013 . 1 . . . . 123 ASP H . 7272 1 1512 . 1 1 123 123 ASP HA H 1 4.411 0.015 . 1 . . . . 123 ASP HA . 7272 1 1513 . 1 1 123 123 ASP HB2 H 1 2.703 0.01 . 2 . . . . 123 ASP HB2 . 7272 1 1514 . 1 1 123 123 ASP HB3 H 1 2.715 0.012 . 2 . . . . 123 ASP HB3 . 7272 1 1515 . 1 1 123 123 ASP C C 13 177.938 0.003 . 1 . . . . 123 ASP C . 7272 1 1516 . 1 1 123 123 ASP CA C 13 56.906 0.053 . 1 . . . . 123 ASP CA . 7272 1 1517 . 1 1 123 123 ASP CB C 13 40.268 0.011 . 1 . . . . 123 ASP CB . 7272 1 1518 . 1 1 123 123 ASP N N 15 122.043 0.079 . 1 . . . . 123 ASP N . 7272 1 1519 . 1 1 124 124 LEU H H 1 7.745 0.024 . 1 . . . . 124 LEU H . 7272 1 1520 . 1 1 124 124 LEU HA H 1 4.142 0.011 . 1 . . . . 124 LEU HA . 7272 1 1521 . 1 1 124 124 LEU HB2 H 1 1.620 0.021 . 2 . . . . 124 LEU HB2 . 7272 1 1522 . 1 1 124 124 LEU HB3 H 1 1.924 0.025 . 2 . . . . 124 LEU HB3 . 7272 1 1523 . 1 1 124 124 LEU HG H 1 1.786 0.015 . 1 . . . . 124 LEU HG . 7272 1 1524 . 1 1 124 124 LEU HD11 H 1 1.176 0.005 . 2 . . . . 124 LEU HD1 . 7272 1 1525 . 1 1 124 124 LEU HD12 H 1 1.176 0.005 . 2 . . . . 124 LEU HD1 . 7272 1 1526 . 1 1 124 124 LEU HD13 H 1 1.176 0.005 . 2 . . . . 124 LEU HD1 . 7272 1 1527 . 1 1 124 124 LEU HD21 H 1 1.062 0.017 . 2 . . . . 124 LEU HD2 . 7272 1 1528 . 1 1 124 124 LEU HD22 H 1 1.062 0.017 . 2 . . . . 124 LEU HD2 . 7272 1 1529 . 1 1 124 124 LEU HD23 H 1 1.062 0.017 . 2 . . . . 124 LEU HD2 . 7272 1 1530 . 1 1 124 124 LEU C C 13 177.911 0.1 . 1 . . . . 124 LEU C . 7272 1 1531 . 1 1 124 124 LEU CA C 13 57.663 0.036 . 1 . . . . 124 LEU CA . 7272 1 1532 . 1 1 124 124 LEU CB C 13 42.764 0.027 . 1 . . . . 124 LEU CB . 7272 1 1533 . 1 1 124 124 LEU CG C 13 27.580 0.032 . 1 . . . . 124 LEU CG . 7272 1 1534 . 1 1 124 124 LEU CD1 C 13 25.308 0.099 . 2 . . . . 124 LEU CD1 . 7272 1 1535 . 1 1 124 124 LEU CD2 C 13 24.824 0.020 . 2 . . . . 124 LEU CD2 . 7272 1 1536 . 1 1 124 124 LEU N N 15 119.403 0.061 . 1 . . . . 124 LEU N . 7272 1 1537 . 1 1 125 125 PHE H H 1 7.374 0.005 . 1 . . . . 125 PHE H . 7272 1 1538 . 1 1 125 125 PHE HA H 1 4.172 0.006 . 1 . . . . 125 PHE HA . 7272 1 1539 . 1 1 125 125 PHE HB3 H 1 2.749 0.005 . 1 . . . . 125 PHE HB3 . 7272 1 1540 . 1 1 125 125 PHE HD1 H 1 7.039 0.003 . 1 . . . . 125 PHE HD . 7272 1 1541 . 1 1 125 125 PHE HD2 H 1 7.039 0.003 . 1 . . . . 125 PHE HD . 7272 1 1542 . 1 1 125 125 PHE HE1 H 1 6.929 0.01 . 1 . . . . 125 PHE HE . 7272 1 1543 . 1 1 125 125 PHE HE2 H 1 6.929 0.01 . 1 . . . . 125 PHE HE . 7272 1 1544 . 1 1 125 125 PHE HZ H 1 7.191 0.018 . 1 . . . . 125 PHE HZ . 7272 1 1545 . 1 1 125 125 PHE C C 13 176.497 0.002 . 1 . . . . 125 PHE C . 7272 1 1546 . 1 1 125 125 PHE CA C 13 60.054 0.100 . 1 . . . . 125 PHE CA . 7272 1 1547 . 1 1 125 125 PHE CB C 13 40.125 0.013 . 1 . . . . 125 PHE CB . 7272 1 1548 . 1 1 125 125 PHE CD1 C 13 132.091 0.027 . 1 . . . . 125 PHE CD . 7272 1 1549 . 1 1 125 125 PHE CD2 C 13 132.091 0.027 . 1 . . . . 125 PHE CD . 7272 1 1550 . 1 1 125 125 PHE N N 15 117.588 0.024 . 1 . . . . 125 PHE N . 7272 1 1551 . 1 1 126 126 LEU H H 1 8.119 0.009 . 1 . . . . 126 LEU H . 7272 1 1552 . 1 1 126 126 LEU HA H 1 3.842 0.007 . 1 . . . . 126 LEU HA . 7272 1 1553 . 1 1 126 126 LEU HB2 H 1 1.425 0.013 . 2 . . . . 126 LEU HB2 . 7272 1 1554 . 1 1 126 126 LEU HB3 H 1 1.700 0.01 . 2 . . . . 126 LEU HB3 . 7272 1 1555 . 1 1 126 126 LEU HD11 H 1 0.820 0.012 . 2 . . . . 126 LEU HD1 . 7272 1 1556 . 1 1 126 126 LEU HD12 H 1 0.820 0.012 . 2 . . . . 126 LEU HD1 . 7272 1 1557 . 1 1 126 126 LEU HD13 H 1 0.820 0.012 . 2 . . . . 126 LEU HD1 . 7272 1 1558 . 1 1 126 126 LEU HD21 H 1 0.890 0.008 . 2 . . . . 126 LEU HD2 . 7272 1 1559 . 1 1 126 126 LEU HD22 H 1 0.890 0.008 . 2 . . . . 126 LEU HD2 . 7272 1 1560 . 1 1 126 126 LEU HD23 H 1 0.890 0.008 . 2 . . . . 126 LEU HD2 . 7272 1 1561 . 1 1 126 126 LEU C C 13 178.768 0.001 . 1 . . . . 126 LEU C . 7272 1 1562 . 1 1 126 126 LEU CA C 13 56.749 0.061 . 1 . . . . 126 LEU CA . 7272 1 1563 . 1 1 126 126 LEU CB C 13 42.084 0.030 . 1 . . . . 126 LEU CB . 7272 1 1564 . 1 1 126 126 LEU CG C 13 27.057 0.1 . 1 . . . . 126 LEU CG . 7272 1 1565 . 1 1 126 126 LEU CD1 C 13 25.538 0.038 . 2 . . . . 126 LEU CD1 . 7272 1 1566 . 1 1 126 126 LEU CD2 C 13 22.974 0.104 . 2 . . . . 126 LEU CD2 . 7272 1 1567 . 1 1 126 126 LEU N N 15 118.565 0.028 . 1 . . . . 126 LEU N . 7272 1 1568 . 1 1 127 127 LYS H H 1 8.337 0.045 . 1 . . . . 127 LYS H . 7272 1 1569 . 1 1 127 127 LYS HA H 1 4.159 0.014 . 1 . . . . 127 LYS HA . 7272 1 1570 . 1 1 127 127 LYS HB2 H 1 1.806 0.01 . 1 . . . . 127 LYS HB2 . 7272 1 1571 . 1 1 127 127 LYS HB3 H 1 1.806 0.01 . 1 . . . . 127 LYS HB3 . 7272 1 1572 . 1 1 127 127 LYS HG2 H 1 0.857 0.011 . 2 . . . . 127 LYS HG2 . 7272 1 1573 . 1 1 127 127 LYS HG3 H 1 0.875 0.01 . 2 . . . . 127 LYS HG3 . 7272 1 1574 . 1 1 127 127 LYS HD2 H 1 1.601 0.01 . 1 . . . . 127 LYS HD2 . 7272 1 1575 . 1 1 127 127 LYS HD3 H 1 1.601 0.01 . 1 . . . . 127 LYS HD3 . 7272 1 1576 . 1 1 127 127 LYS HE2 H 1 2.945 0.01 . 1 . . . . 127 LYS HE2 . 7272 1 1577 . 1 1 127 127 LYS HE3 H 1 2.945 0.01 . 1 . . . . 127 LYS HE3 . 7272 1 1578 . 1 1 127 127 LYS C C 13 177.310 0.003 . 1 . . . . 127 LYS C . 7272 1 1579 . 1 1 127 127 LYS CA C 13 57.243 0.041 . 1 . . . . 127 LYS CA . 7272 1 1580 . 1 1 127 127 LYS CB C 13 32.264 0.011 . 1 . . . . 127 LYS CB . 7272 1 1581 . 1 1 127 127 LYS CG C 13 25.316 0.024 . 1 . . . . 127 LYS CG . 7272 1 1582 . 1 1 127 127 LYS CD C 13 29.000 0.1 . 1 . . . . 127 LYS CD . 7272 1 1583 . 1 1 127 127 LYS CE C 13 42.264 0.1 . 1 . . . . 127 LYS CE . 7272 1 1584 . 1 1 127 127 LYS N N 15 119.101 0.064 . 1 . . . . 127 LYS N . 7272 1 1585 . 1 1 128 128 HIS H H 1 7.694 0.002 . 1 . . . . 128 HIS H . 7272 1 1586 . 1 1 128 128 HIS HA H 1 4.417 0.01 . 1 . . . . 128 HIS HA . 7272 1 1587 . 1 1 128 128 HIS HB2 H 1 3.051 0.004 . 2 . . . . 128 HIS HB2 . 7272 1 1588 . 1 1 128 128 HIS HB3 H 1 3.055 0.01 . 2 . . . . 128 HIS HB3 . 7272 1 1589 . 1 1 128 128 HIS C C 13 175.671 0.003 . 1 . . . . 128 HIS C . 7272 1 1590 . 1 1 128 128 HIS CA C 13 57.365 0.035 . 1 . . . . 128 HIS CA . 7272 1 1591 . 1 1 128 128 HIS CB C 13 30.208 0.074 . 1 . . . . 128 HIS CB . 7272 1 1592 . 1 1 128 128 HIS CD2 C 13 119.536 0.1 . 1 . . . . 128 HIS CD2 . 7272 1 1593 . 1 1 128 128 HIS N N 15 120.129 0.015 . 1 . . . . 128 HIS N . 7272 1 1594 . 1 1 129 129 LYS H H 1 8.175 0.035 . 1 . . . . 129 LYS H . 7272 1 1595 . 1 1 129 129 LYS HB3 H 1 2.160 0.01 . 1 . . . . 129 LYS HB3 . 7272 1 1596 . 1 1 129 129 LYS C C 13 176.891 0.013 . 1 . . . . 129 LYS C . 7272 1 1597 . 1 1 129 129 LYS CA C 13 57.357 0.031 . 1 . . . . 129 LYS CA . 7272 1 1598 . 1 1 129 129 LYS CB C 13 32.837 0.044 . 1 . . . . 129 LYS CB . 7272 1 1599 . 1 1 129 129 LYS CG C 13 24.569 0.1 . 1 . . . . 129 LYS CG . 7272 1 1600 . 1 1 129 129 LYS CD C 13 29.733 0.1 . 1 . . . . 129 LYS CD . 7272 1 1601 . 1 1 129 129 LYS CE C 13 42.099 0.1 . 1 . . . . 129 LYS CE . 7272 1 1602 . 1 1 129 129 LYS N N 15 122.206 0.032 . 1 . . . . 129 LYS N . 7272 1 1603 . 1 1 130 130 ARG H H 1 8.238 0.003 . 1 . . . . 130 ARG H . 7272 1 1604 . 1 1 130 130 ARG HA H 1 4.226 0.003 . 1 . . . . 130 ARG HA . 7272 1 1605 . 1 1 130 130 ARG HB2 H 1 1.835 0.01 . 2 . . . . 130 ARG HB2 . 7272 1 1606 . 1 1 130 130 ARG HB3 H 1 1.839 0.005 . 2 . . . . 130 ARG HB3 . 7272 1 1607 . 1 1 130 130 ARG HG2 H 1 1.612 0.01 . 2 . . . . 130 ARG HG2 . 7272 1 1608 . 1 1 130 130 ARG HG3 H 1 1.670 0.01 . 2 . . . . 130 ARG HG3 . 7272 1 1609 . 1 1 130 130 ARG HD2 H 1 3.160 0.004 . 2 . . . . 130 ARG HD2 . 7272 1 1610 . 1 1 130 130 ARG HD3 H 1 3.163 0.001 . 2 . . . . 130 ARG HD3 . 7272 1 1611 . 1 1 130 130 ARG C C 13 177.524 0.020 . 1 . . . . 130 ARG C . 7272 1 1612 . 1 1 130 130 ARG CA C 13 57.377 0.023 . 1 . . . . 130 ARG CA . 7272 1 1613 . 1 1 130 130 ARG CB C 13 30.414 0.005 . 1 . . . . 130 ARG CB . 7272 1 1614 . 1 1 130 130 ARG CG C 13 27.355 0.1 . 1 . . . . 130 ARG CG . 7272 1 1615 . 1 1 130 130 ARG CD C 13 43.513 0.1 . 1 . . . . 130 ARG CD . 7272 1 1616 . 1 1 130 130 ARG N N 15 120.928 0.043 . 1 . . . . 130 ARG N . 7272 1 1617 . 1 1 131 131 THR H H 1 8.040 0.003 . 1 . . . . 131 THR H . 7272 1 1618 . 1 1 131 131 THR HA H 1 4.158 0.008 . 1 . . . . 131 THR HA . 7272 1 1619 . 1 1 131 131 THR HB H 1 4.235 0.01 . 1 . . . . 131 THR HB . 7272 1 1620 . 1 1 131 131 THR HG21 H 1 1.217 0.004 . 1 . . . . 131 THR HG2 . 7272 1 1621 . 1 1 131 131 THR HG22 H 1 1.217 0.004 . 1 . . . . 131 THR HG2 . 7272 1 1622 . 1 1 131 131 THR HG23 H 1 1.217 0.004 . 1 . . . . 131 THR HG2 . 7272 1 1623 . 1 1 131 131 THR C C 13 175.510 0.007 . 1 . . . . 131 THR C . 7272 1 1624 . 1 1 131 131 THR CA C 13 63.780 0.023 . 1 . . . . 131 THR CA . 7272 1 1625 . 1 1 131 131 THR CB C 13 69.398 0.072 . 1 . . . . 131 THR CB . 7272 1 1626 . 1 1 131 131 THR CG2 C 13 21.770 0.1 . 1 . . . . 131 THR CG2 . 7272 1 1627 . 1 1 131 131 THR N N 15 114.732 0.060 . 1 . . . . 131 THR N . 7272 1 1628 . 1 1 132 132 GLU H H 1 8.217 0.027 . 1 . . . . 132 GLU H . 7272 1 1629 . 1 1 132 132 GLU N N 15 121.126 0.081 . 1 . . . . 132 GLU N . 7272 1 stop_ save_