data_16583 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16583 _Entry.Title ; 2J coupling constants in Xylanase from Bacillus agaradhaerens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-25 _Entry.Accession_date 2009-10-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jurgen Schmidt . M. . 16583 2 Frank Lohr . . . 16583 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID coupling_constants 6 16583 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'coupling constants' 977 16583 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 . . 2010-05-18 2009-10-25 update BMRB 'Complete entry citation' 16583 1 . . 2010-02-08 2009-10-25 original author 'original release' 16583 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15908 '1J coupling constants related to the Ca carbons in Xylanase' 16583 BMRB 16579 '2J coupling constants in oxidised Flavodxin' 16583 BMRB 16580 '2J coupling constants in Ribonuclease T1' 16583 BMRB 16581 '2J coupling constants in Frataxin C-terminal domain' 16583 BMRB 16582 '2J coupling constants in Ubiquitin' 16583 BMRB 16584 '2J coupling constants in DFPase' 16583 BMRB 5352 '1H, 13C and 15N resonance assignment of Bacillus agaradhaerens xylanase' 16583 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16583 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20131375 _Citation.Full_citation . _Citation.Title 'Correlation of (2)J couplings with protein secondary structure.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 78 _Citation.Journal_issue 6 _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 1544 _Citation.Page_last 1562 _Citation.Year 2010 _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 Jurgen Schmidt . M. . 16583 1 2 Yixun Hua . . . 16583 1 3 Frank Lohr . . . 16583 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'data mining' 16583 1 statistics 16583 1 'torsion angles' 16583 1 'two-bond coupling' 16583 1 stop_ save_ save_Vuister_&_Bax_1992 _Citation.Sf_category citations _Citation.Sf_framecode Vuister_&_Bax_1992 _Citation.Entry_ID 16583 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 1511238 _Citation.Full_citation . _Citation.Title ; Measurement of two-bond JCOHa coupling constants in proteins uniformly enriched with 13C ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 401 _Citation.Page_last 405 _Citation.Year 1992 _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 G. Vuister . W. . 16583 2 2 A. Bax . . . 16583 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '2JHACO measurement' 16583 2 stop_ save_ save_Permi_&_Annila_2000 _Citation.Sf_category citations _Citation.Sf_framecode Permi_&_Annila_2000 _Citation.Entry_ID 16583 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10805128 _Citation.Full_citation . _Citation.Title 'Transverse relaxation optimised spin-state selective NMR experiments for measurement of residual dipolar couplings' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 221 _Citation.Page_last 227 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Permi . . . 16583 3 2 A. Annila . . . 16583 3 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '2JCAN_ measurement' 16583 3 '2JCOHN measurement' 16583 3 '2JHNCA measurement' 16583 3 'IPAP method' 16583 3 stop_ save_ save_Permi_2003 _Citation.Sf_category citations _Citation.Sf_framecode Permi_2003 _Citation.Entry_ID 16583 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14512731 _Citation.Full_citation . _Citation.Title 'Measurement of residual dipolar couplings from 1Halpha to 13Calpha and 15N using a simple HNCA-based experiment' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 341 _Citation.Page_last 349 _Citation.Year 2003 _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 P. Permi . . . 16583 4 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '2JN_HA measurement' 16583 4 stop_ save_ save_Wienk_et_al_2003 _Citation.Sf_category citations _Citation.Sf_framecode Wienk_et_al_2003 _Citation.Entry_ID 16583 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12652122 _Citation.Full_citation . _Citation.Title 'Simultaneous measurement of protein one-bond and two-bond nitrogen-carbon coupling constants using an internally referenced quantitative J-correlated [15N,1H]-TROSY-HNC experiment' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 25 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 133 _Citation.Page_last 145 _Citation.Year 2003 _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 H. Wienk . L.J. . 16583 5 2 M. Martinez . M. . 16583 5 3 G. Yalloway . N. . 16583 5 4 J. Schmidt . M. . 16583 5 5 C. Perez . . . 16583 5 6 H. Ruterjans . . . 16583 5 7 F. Lohr . . . 16583 5 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID '2JCAN_ measurement' 16583 5 'quantitative J correlation' 16583 5 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16583 _Assembly.ID 1 _Assembly.Name Xylanase _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23155.6 _Assembly.Enzyme_commission_number 3.2.1.8 _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 protein 1 $Xylanase A . yes native no no . . . 16583 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1QH6 . . X-ray 2.0 Xylanase:beta-D-xylanopyranoside 'isotropic refinement, residue 1 is pyroglutamic acid' 16583 1 yes PDB 1QH7 . . X-ray 1.78 Xylanase:beta-D-xylanopyranoside 'anisotropic refinement, residue 1 is pyroglutamic acid' 16583 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID endo-1,4-beta-D-xylan-hydrolysis 16583 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Xylanase _Entity.Sf_category entity _Entity.Sf_framecode Xylanase _Entity.Entry_ID 16583 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Xylanase _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 ; MIVTDNSIGNHDGYDYEFWK DSGGSGTMILNHGGTFSAQW NNVNNILFRKGKKFNETQTH QQVGNMSINYGANFQPNGNA YLCVYGWTVDPLVEYYIVDS WGNWRPPGATPKGTITVDGG TYDIYETLRVNQPSIKGIAT FKQYWSVRRSKRTSGTISVS NHFRAWENLGMNMGKMYEVA LTVEGYQSSGSANVYSNTLR INGNPLS ; _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 207 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.2.1.8 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23155.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15908 . Xylanase . . . . . 100.00 207 100.00 100.00 1.62e-149 . . . . 16583 1 2 no PDB 1H4G . "Oligosaccharide-Binding To Family 11 Xylanases: Both Covalent Intermediate And Mutant-Product Complexes Display 2,5b Conformati" . . . . . 99.52 207 100.00 100.00 1.03e-148 . . . . 16583 1 3 no PDB 1H4H . "Oligosaccharide-Binding To Family 11 Xylanases: Both Covalent Intermediate And Mutant-Product Complexes Display 2,5b Conformati" . . . . . 99.52 209 99.51 99.51 1.06e-147 . . . . 16583 1 4 no PDB 1QH6 . "Catalysis And Specificity In Enzymatic Glycoside Hydrolases: A 2,5b Conformation For The Glycosyl-Enzyme Intermidiate Revealed " . . . . . 99.52 207 100.00 100.00 1.03e-148 . . . . 16583 1 5 no PDB 1QH7 . "Catalysis And Specificity In Enzymatic Glycoside Hydrolases: A 2,5b Conformation For The Glycosyl-enzyme Intermidiate Revealed " . . . . . 99.52 207 100.00 100.00 1.03e-148 . . . . 16583 1 6 no PDB 2F6B . "Structural And Active Site Modification Studies Implicate Glu, Trp And Arg In The Activity Of Xylanase From Alkalophilic Bacill" . . . . . 99.03 206 98.54 98.54 2.65e-145 . . . . 16583 1 7 no GB AEP40122 . "XylC1 [Bacillus sp. NCL 87-6-10]" . . . . . 99.52 248 99.51 99.51 8.48e-149 . . . . 16583 1 8 no GB AEP40123 . "XylC2 [Bacillus sp. NCL 87-6-10]" . . . . . 99.52 248 98.54 99.03 2.18e-147 . . . . 16583 1 9 no GB AEP40124 . "XylC3 [Bacillus sp. NCL 87-6-10]" . . . . . 99.52 248 100.00 100.00 1.43e-149 . . . . 16583 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID endo-1,4-beta-D-xylan-hydrolysis 16583 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16583 1 2 . ILE . 16583 1 3 . VAL . 16583 1 4 . THR . 16583 1 5 . ASP . 16583 1 6 . ASN . 16583 1 7 . SER . 16583 1 8 . ILE . 16583 1 9 . GLY . 16583 1 10 . ASN . 16583 1 11 . HIS . 16583 1 12 . ASP . 16583 1 13 . GLY . 16583 1 14 . TYR . 16583 1 15 . ASP . 16583 1 16 . TYR . 16583 1 17 . GLU . 16583 1 18 . PHE . 16583 1 19 . TRP . 16583 1 20 . LYS . 16583 1 21 . ASP . 16583 1 22 . SER . 16583 1 23 . GLY . 16583 1 24 . GLY . 16583 1 25 . SER . 16583 1 26 . GLY . 16583 1 27 . THR . 16583 1 28 . MET . 16583 1 29 . ILE . 16583 1 30 . LEU . 16583 1 31 . ASN . 16583 1 32 . HIS . 16583 1 33 . GLY . 16583 1 34 . GLY . 16583 1 35 . THR . 16583 1 36 . PHE . 16583 1 37 . SER . 16583 1 38 . ALA . 16583 1 39 . GLN . 16583 1 40 . TRP . 16583 1 41 . ASN . 16583 1 42 . ASN . 16583 1 43 . VAL . 16583 1 44 . ASN . 16583 1 45 . ASN . 16583 1 46 . ILE . 16583 1 47 . LEU . 16583 1 48 . PHE . 16583 1 49 . ARG . 16583 1 50 . LYS . 16583 1 51 . GLY . 16583 1 52 . LYS . 16583 1 53 . LYS . 16583 1 54 . PHE . 16583 1 55 . ASN . 16583 1 56 . GLU . 16583 1 57 . THR . 16583 1 58 . GLN . 16583 1 59 . THR . 16583 1 60 . HIS . 16583 1 61 . GLN . 16583 1 62 . GLN . 16583 1 63 . VAL . 16583 1 64 . GLY . 16583 1 65 . ASN . 16583 1 66 . MET . 16583 1 67 . SER . 16583 1 68 . ILE . 16583 1 69 . ASN . 16583 1 70 . TYR . 16583 1 71 . GLY . 16583 1 72 . ALA . 16583 1 73 . ASN . 16583 1 74 . PHE . 16583 1 75 . GLN . 16583 1 76 . PRO . 16583 1 77 . ASN . 16583 1 78 . GLY . 16583 1 79 . ASN . 16583 1 80 . ALA . 16583 1 81 . TYR . 16583 1 82 . LEU . 16583 1 83 . CYS . 16583 1 84 . VAL . 16583 1 85 . TYR . 16583 1 86 . GLY . 16583 1 87 . TRP . 16583 1 88 . THR . 16583 1 89 . VAL . 16583 1 90 . ASP . 16583 1 91 . PRO . 16583 1 92 . LEU . 16583 1 93 . VAL . 16583 1 94 . GLU . 16583 1 95 . TYR . 16583 1 96 . TYR . 16583 1 97 . ILE . 16583 1 98 . VAL . 16583 1 99 . ASP . 16583 1 100 . SER . 16583 1 101 . TRP . 16583 1 102 . GLY . 16583 1 103 . ASN . 16583 1 104 . TRP . 16583 1 105 . ARG . 16583 1 106 . PRO . 16583 1 107 . PRO . 16583 1 108 . GLY . 16583 1 109 . ALA . 16583 1 110 . THR . 16583 1 111 . PRO . 16583 1 112 . LYS . 16583 1 113 . GLY . 16583 1 114 . THR . 16583 1 115 . ILE . 16583 1 116 . THR . 16583 1 117 . VAL . 16583 1 118 . ASP . 16583 1 119 . GLY . 16583 1 120 . GLY . 16583 1 121 . THR . 16583 1 122 . TYR . 16583 1 123 . ASP . 16583 1 124 . ILE . 16583 1 125 . TYR . 16583 1 126 . GLU . 16583 1 127 . THR . 16583 1 128 . LEU . 16583 1 129 . ARG . 16583 1 130 . VAL . 16583 1 131 . ASN . 16583 1 132 . GLN . 16583 1 133 . PRO . 16583 1 134 . SER . 16583 1 135 . ILE . 16583 1 136 . LYS . 16583 1 137 . GLY . 16583 1 138 . ILE . 16583 1 139 . ALA . 16583 1 140 . THR . 16583 1 141 . PHE . 16583 1 142 . LYS . 16583 1 143 . GLN . 16583 1 144 . TYR . 16583 1 145 . TRP . 16583 1 146 . SER . 16583 1 147 . VAL . 16583 1 148 . ARG . 16583 1 149 . ARG . 16583 1 150 . SER . 16583 1 151 . LYS . 16583 1 152 . ARG . 16583 1 153 . THR . 16583 1 154 . SER . 16583 1 155 . GLY . 16583 1 156 . THR . 16583 1 157 . ILE . 16583 1 158 . SER . 16583 1 159 . VAL . 16583 1 160 . SER . 16583 1 161 . ASN . 16583 1 162 . HIS . 16583 1 163 . PHE . 16583 1 164 . ARG . 16583 1 165 . ALA . 16583 1 166 . TRP . 16583 1 167 . GLU . 16583 1 168 . ASN . 16583 1 169 . LEU . 16583 1 170 . GLY . 16583 1 171 . MET . 16583 1 172 . ASN . 16583 1 173 . MET . 16583 1 174 . GLY . 16583 1 175 . LYS . 16583 1 176 . MET . 16583 1 177 . TYR . 16583 1 178 . GLU . 16583 1 179 . VAL . 16583 1 180 . ALA . 16583 1 181 . LEU . 16583 1 182 . THR . 16583 1 183 . VAL . 16583 1 184 . GLU . 16583 1 185 . GLY . 16583 1 186 . TYR . 16583 1 187 . GLN . 16583 1 188 . SER . 16583 1 189 . SER . 16583 1 190 . GLY . 16583 1 191 . SER . 16583 1 192 . ALA . 16583 1 193 . ASN . 16583 1 194 . VAL . 16583 1 195 . TYR . 16583 1 196 . SER . 16583 1 197 . ASN . 16583 1 198 . THR . 16583 1 199 . LEU . 16583 1 200 . ARG . 16583 1 201 . ILE . 16583 1 202 . ASN . 16583 1 203 . GLY . 16583 1 204 . ASN . 16583 1 205 . PRO . 16583 1 206 . LEU . 16583 1 207 . SER . 16583 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16583 1 . ILE 2 2 16583 1 . VAL 3 3 16583 1 . THR 4 4 16583 1 . ASP 5 5 16583 1 . ASN 6 6 16583 1 . SER 7 7 16583 1 . ILE 8 8 16583 1 . GLY 9 9 16583 1 . ASN 10 10 16583 1 . HIS 11 11 16583 1 . ASP 12 12 16583 1 . GLY 13 13 16583 1 . TYR 14 14 16583 1 . ASP 15 15 16583 1 . TYR 16 16 16583 1 . GLU 17 17 16583 1 . PHE 18 18 16583 1 . TRP 19 19 16583 1 . LYS 20 20 16583 1 . ASP 21 21 16583 1 . SER 22 22 16583 1 . GLY 23 23 16583 1 . GLY 24 24 16583 1 . SER 25 25 16583 1 . GLY 26 26 16583 1 . THR 27 27 16583 1 . MET 28 28 16583 1 . ILE 29 29 16583 1 . LEU 30 30 16583 1 . ASN 31 31 16583 1 . HIS 32 32 16583 1 . GLY 33 33 16583 1 . GLY 34 34 16583 1 . THR 35 35 16583 1 . PHE 36 36 16583 1 . SER 37 37 16583 1 . ALA 38 38 16583 1 . GLN 39 39 16583 1 . TRP 40 40 16583 1 . ASN 41 41 16583 1 . ASN 42 42 16583 1 . VAL 43 43 16583 1 . ASN 44 44 16583 1 . ASN 45 45 16583 1 . ILE 46 46 16583 1 . LEU 47 47 16583 1 . PHE 48 48 16583 1 . ARG 49 49 16583 1 . LYS 50 50 16583 1 . GLY 51 51 16583 1 . LYS 52 52 16583 1 . LYS 53 53 16583 1 . PHE 54 54 16583 1 . ASN 55 55 16583 1 . GLU 56 56 16583 1 . THR 57 57 16583 1 . GLN 58 58 16583 1 . THR 59 59 16583 1 . HIS 60 60 16583 1 . GLN 61 61 16583 1 . GLN 62 62 16583 1 . VAL 63 63 16583 1 . GLY 64 64 16583 1 . ASN 65 65 16583 1 . MET 66 66 16583 1 . SER 67 67 16583 1 . ILE 68 68 16583 1 . ASN 69 69 16583 1 . TYR 70 70 16583 1 . GLY 71 71 16583 1 . ALA 72 72 16583 1 . ASN 73 73 16583 1 . PHE 74 74 16583 1 . GLN 75 75 16583 1 . PRO 76 76 16583 1 . ASN 77 77 16583 1 . GLY 78 78 16583 1 . ASN 79 79 16583 1 . ALA 80 80 16583 1 . TYR 81 81 16583 1 . LEU 82 82 16583 1 . CYS 83 83 16583 1 . VAL 84 84 16583 1 . TYR 85 85 16583 1 . GLY 86 86 16583 1 . TRP 87 87 16583 1 . THR 88 88 16583 1 . VAL 89 89 16583 1 . ASP 90 90 16583 1 . PRO 91 91 16583 1 . LEU 92 92 16583 1 . VAL 93 93 16583 1 . GLU 94 94 16583 1 . TYR 95 95 16583 1 . TYR 96 96 16583 1 . ILE 97 97 16583 1 . VAL 98 98 16583 1 . ASP 99 99 16583 1 . SER 100 100 16583 1 . TRP 101 101 16583 1 . GLY 102 102 16583 1 . ASN 103 103 16583 1 . TRP 104 104 16583 1 . ARG 105 105 16583 1 . PRO 106 106 16583 1 . PRO 107 107 16583 1 . GLY 108 108 16583 1 . ALA 109 109 16583 1 . THR 110 110 16583 1 . PRO 111 111 16583 1 . LYS 112 112 16583 1 . GLY 113 113 16583 1 . THR 114 114 16583 1 . ILE 115 115 16583 1 . THR 116 116 16583 1 . VAL 117 117 16583 1 . ASP 118 118 16583 1 . GLY 119 119 16583 1 . GLY 120 120 16583 1 . THR 121 121 16583 1 . TYR 122 122 16583 1 . ASP 123 123 16583 1 . ILE 124 124 16583 1 . TYR 125 125 16583 1 . GLU 126 126 16583 1 . THR 127 127 16583 1 . LEU 128 128 16583 1 . ARG 129 129 16583 1 . VAL 130 130 16583 1 . ASN 131 131 16583 1 . GLN 132 132 16583 1 . PRO 133 133 16583 1 . SER 134 134 16583 1 . ILE 135 135 16583 1 . LYS 136 136 16583 1 . GLY 137 137 16583 1 . ILE 138 138 16583 1 . ALA 139 139 16583 1 . THR 140 140 16583 1 . PHE 141 141 16583 1 . LYS 142 142 16583 1 . GLN 143 143 16583 1 . TYR 144 144 16583 1 . TRP 145 145 16583 1 . SER 146 146 16583 1 . VAL 147 147 16583 1 . ARG 148 148 16583 1 . ARG 149 149 16583 1 . SER 150 150 16583 1 . LYS 151 151 16583 1 . ARG 152 152 16583 1 . THR 153 153 16583 1 . SER 154 154 16583 1 . GLY 155 155 16583 1 . THR 156 156 16583 1 . ILE 157 157 16583 1 . SER 158 158 16583 1 . VAL 159 159 16583 1 . SER 160 160 16583 1 . ASN 161 161 16583 1 . HIS 162 162 16583 1 . PHE 163 163 16583 1 . ARG 164 164 16583 1 . ALA 165 165 16583 1 . TRP 166 166 16583 1 . GLU 167 167 16583 1 . ASN 168 168 16583 1 . LEU 169 169 16583 1 . GLY 170 170 16583 1 . MET 171 171 16583 1 . ASN 172 172 16583 1 . MET 173 173 16583 1 . GLY 174 174 16583 1 . LYS 175 175 16583 1 . MET 176 176 16583 1 . TYR 177 177 16583 1 . GLU 178 178 16583 1 . VAL 179 179 16583 1 . ALA 180 180 16583 1 . LEU 181 181 16583 1 . THR 182 182 16583 1 . VAL 183 183 16583 1 . GLU 184 184 16583 1 . GLY 185 185 16583 1 . TYR 186 186 16583 1 . GLN 187 187 16583 1 . SER 188 188 16583 1 . SER 189 189 16583 1 . GLY 190 190 16583 1 . SER 191 191 16583 1 . ALA 192 192 16583 1 . ASN 193 193 16583 1 . VAL 194 194 16583 1 . TYR 195 195 16583 1 . SER 196 196 16583 1 . ASN 197 197 16583 1 . THR 198 198 16583 1 . LEU 199 199 16583 1 . ARG 200 200 16583 1 . ILE 201 201 16583 1 . ASN 202 202 16583 1 . GLY 203 203 16583 1 . ASN 204 204 16583 1 . PRO 205 205 16583 1 . LEU 206 206 16583 1 . SER 207 207 16583 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 16583 _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 $Xylanase . 76935 organism . 'Bacillus agaradhaerens' 'Bacillus agaradhaerens' . . Eubacteria . Bacillus agaradhaerens . . . . . . . . . . . . . . . . . . . . . 16583 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 16583 _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 $Xylanase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET3a . . . . . . 16583 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16583 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Xylanase '[U-95% 13C; U-95% 15N]' . . 1 $Xylanase . . 1.5 . . mM . . . . 16583 1 2 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 16583 1 3 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 16583 1 4 'Pefabloc protease inhibitor' 'natural abundance' . . . . . . 50 . . ug/ml . . . . 16583 1 5 D2O [U-2H] . . . . . . 5 . . % . . . . 16583 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16583 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16583 _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 5.4 . pH 16583 1 pressure 1 . atm 16583 1 temperature 302 . K 16583 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16583 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16583 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16583 1 processing 16583 1 stop_ save_ save_jeval _Software.Sf_category software _Software.Sf_framecode jeval _Software.Entry_ID 16583 _Software.ID 2 _Software.Name jeval _Software.Version . _Software.Details 'Matlab-based suite of utilities for the display, selection, and simulation of 2D multiplet projections from multi-dimensional NMR spectra' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'JM Schmidt' 'Dept. of Biosciences, University of Kent, Canterbury, Kent CT2 7NJ, United Kingdom' j.m.schmidt@kent.ac.uk 16583 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'coupling constant extraction' 16583 2 'data analysis' 16583 2 'multiplet simulation' 16583 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16583 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '1H{13C,15N}-triple-resonance three-axis PFG probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16583 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '1H{13C,15N}-triple-resonance three-axis PFG probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16583 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'room-temperature and cryogenic triple-resonance z-gradient probes' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16583 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'cryogenic triple-resonance z-gradient probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 16583 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details 'cryogenic triple-resonance z-gradient probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16583 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 '1H{13C,15N}-triple-resonance three-axis PFG probe' . . 16583 1 2 spectrometer_2 Bruker DMX . 600 '1H{13C,15N}-triple-resonance three-axis PFG probe' . . 16583 1 3 spectrometer_3 Bruker Avance . 800 'room-temperature and cryogenic triple-resonance z-gradient probes' . . 16583 1 4 spectrometer_4 Bruker Avance . 900 'cryogenic triple-resonance z-gradient probe' . . 16583 1 5 spectrometer_5 Bruker Avance . 950 'cryogenic triple-resonance z-gradient probe' . . 16583 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16583 _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 '3D Ca-coupled [15N,1H]-TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16583 1 2 '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 16583 1 3 '2D IPAP-type HN(a/b-NCO-J)-TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 16583 1 4 '3D Ha-coupled [15N,1H]-TROSY-iHNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 16583 1 5 '3D quantitative J-correlated [15N,1H]-TROSY-HNC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16583 1 6 '2D Cb-coupled [13C,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 16583 1 7 '2D CO-coupled ct-[13C,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16583 1 stop_ save_ save_3D_Ca-coupled_(15N_1H)-TROSY-HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_Ca-coupled_(15N_1H)-TROSY-HNCO _NMR_spec_expt.Entry_ID 16583 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D Ca-coupled [15N,1H]-TROSY-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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 '2JCAN_ measurement' save_ save_2D_IPAP-type_HN(CO-a_b-NCa-J)-TROSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_IPAP-type_HN(CO-a_b-NCa-J)-TROSY _NMR_spec_expt.Entry_ID 16583 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' _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 5 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_5 _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 ; Permi and Annila, 2000; 2JCAN_ and 2JHNCA measurement; 150-ms 15N evolution ; save_ save_2D_IPAP-type_HN(a_b-NCO-J)-TROSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_IPAP-type_HN(a_b-NCO-J)-TROSY _NMR_spec_expt.Entry_ID 16583 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D IPAP-type HN(a/b-NCO-J)-TROSY' _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 5 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_5 _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 ; Permi and Annila, 2000; 2JCOHN measurement; 150-ms 15N evolution ; save_ save_3D_Ha-coupled_(15N_1H)-TROSY-iHNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_Ha-coupled_(15N_1H)-TROSY-iHNCA _NMR_spec_expt.Entry_ID 16583 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D Ha-coupled [15N,1H]-TROSY-iHNCA' _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 5 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_5 _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 ; Permi, 2003; 2JN_HA measurement; 28-ms 13Ca evolution, 50-ms 15N evolution ; save_ save_3D_quantitative_J-correlated_(15N_1H)-TROSY-HNC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_quantitative_J-correlated_(15N_1H)-TROSY-HNC _NMR_spec_expt.Entry_ID 16583 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D quantitative J-correlated [15N,1H]-TROSY-HNC' _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 3 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_3 _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 ; Wienk et al., 2003; 2JCAN_ measurement ; save_ save_2D_Cb-coupled_(13C_1H)-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_Cb-coupled_(13C_1H)-HSQC _NMR_spec_expt.Entry_ID 16583 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '2D Cb-coupled [13C,1H]-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 5 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_5 _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 '2JHaCb measurement' save_ save_2D_CO-coupled_ct-(13C_1H)-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_CO-coupled_ct-(13C_1H)-HSQC _NMR_spec_expt.Entry_ID 16583 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '2D CO-coupled ct-[13C,1H]-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 4 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_4 _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 ; Vuister & Bax, 1992; 2JHaCO measurement ; save_ ######################## # Coupling constants # ######################## save_2JCaN_ _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 2JCaN_ _Coupling_constant_list.Entry_ID 16583 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 1 '3D Ca-coupled [15N,1H]-TROSY-HNCO' . . . 16583 1 2 '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' . . . 16583 1 5 '3D quantitative J-correlated [15N,1H]-TROSY-HNC' . . . 16583 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 2JCAN_ . 1 1 1 1 MET CA C 13 1 . 1 1 2 2 ILE N N 15 1 -8.87 . . 0.50 . . 1 1 Met Ca 1 2 Ile N . 16583 1 2 2JCAN_ . 1 1 2 2 ILE CA C 13 1 . 1 1 3 3 VAL N N 15 1 -8.66 . . 0.50 . . 1 2 Ile Ca 1 3 Val N . 16583 1 3 2JCAN_ . 1 1 3 3 VAL CA C 13 1 . 1 1 4 4 THR N N 15 1 -8.44 . . 0.50 . . 1 3 Val Ca 1 4 Thr N . 16583 1 4 2JCAN_ . 1 1 4 4 THR CA C 13 1 . 1 1 5 5 ASP N N 15 1 -5.38 . . 0.50 . . 1 4 Thr Ca 1 5 Asp N . 16583 1 5 2JCAN_ . 1 1 5 5 ASP CA C 13 1 . 1 1 6 6 ASN N N 15 1 -8.47 . . 0.50 . . 1 5 Asp Ca 1 6 Asn N . 16583 1 6 2JCAN_ . 1 1 6 6 ASN CA C 13 1 . 1 1 7 7 SER N N 15 1 -9.05 . . 0.50 . . 1 6 Asn Ca 1 7 Ser N . 16583 1 7 2JCAN_ . 1 1 7 7 SER CA C 13 1 . 1 1 8 8 ILE N N 15 1 -8.65 . . 0.50 . . 1 7 Ser Ca 1 8 Ile N . 16583 1 8 2JCAN_ . 1 1 8 8 ILE CA C 13 1 . 1 1 9 9 GLY N N 15 1 -8.27 . . 0.50 . . 1 8 Ile Ca 1 9 Gly N . 16583 1 9 2JCAN_ . 1 1 9 9 GLY CA C 13 1 . 1 1 10 10 ASN N N 15 1 -9.27 . . 0.50 . . 1 9 Gly Ca 1 10 Asn N . 16583 1 10 2JCAN_ . 1 1 10 10 ASN CA C 13 1 . 1 1 11 11 HIS N N 15 1 -8.79 . . 0.50 . . 1 10 Asn Ca 1 11 His N . 16583 1 11 2JCAN_ . 1 1 11 11 HIS CA C 13 1 . 1 1 12 12 ASP N N 15 1 -8.09 . . 0.50 . . 1 11 His Ca 1 12 Asp N . 16583 1 12 2JCAN_ . 1 1 12 12 ASP CA C 13 1 . 1 1 13 13 GLY N N 15 1 -6.80 . . 0.50 . . 1 12 Asp Ca 1 13 Gly N . 16583 1 13 2JCAN_ . 1 1 13 13 GLY CA C 13 1 . 1 1 14 14 TYR N N 15 1 -6.37 . . 0.50 . . 1 13 Gly Ca 1 14 Tyr N . 16583 1 14 2JCAN_ . 1 1 14 14 TYR CA C 13 1 . 1 1 15 15 ASP N N 15 1 -8.72 . . 0.50 . . 1 14 Tyr Ca 1 15 Asp N . 16583 1 15 2JCAN_ . 1 1 15 15 ASP CA C 13 1 . 1 1 16 16 TYR N N 15 1 -8.53 . . 0.50 . . 1 15 Asp Ca 1 16 Tyr N . 16583 1 16 2JCAN_ . 1 1 16 16 TYR CA C 13 1 . 1 1 17 17 GLU N N 15 1 -8.67 . . 0.50 . . 1 16 Tyr Ca 1 17 Glu N . 16583 1 17 2JCAN_ . 1 1 17 17 GLU CA C 13 1 . 1 1 18 18 PHE N N 15 1 -8.65 . . 0.50 . . 1 17 Glu Ca 1 18 Phe N . 16583 1 18 2JCAN_ . 1 1 18 18 PHE CA C 13 1 . 1 1 19 19 TRP N N 15 1 -7.80 . . 0.50 . . 1 18 Phe Ca 1 19 Trp N . 16583 1 19 2JCAN_ . 1 1 19 19 TRP CA C 13 1 . 1 1 20 20 LYS N N 15 1 -8.17 . . 0.50 . . 1 19 Trp Ca 1 20 Lys N . 16583 1 20 2JCAN_ . 1 1 20 20 LYS CA C 13 1 . 1 1 21 21 ASP N N 15 1 -8.20 . . 0.50 . . 1 20 Lys Ca 1 21 Asp N . 16583 1 21 2JCAN_ . 1 1 21 21 ASP CA C 13 1 . 1 1 22 22 SER N N 15 1 -8.31 . . 0.50 . . 1 21 Asp Ca 1 22 Ser N . 16583 1 22 2JCAN_ . 1 1 22 22 SER CA C 13 1 . 1 1 23 23 GLY N N 15 1 -9.05 . . 0.50 . . 1 22 Ser Ca 1 23 Gly N . 16583 1 23 2JCAN_ . 1 1 23 23 GLY CA C 13 1 . 1 1 24 24 GLY N N 15 1 -9.47 . . 0.50 . . 1 23 Gly Ca 1 24 Gly N . 16583 1 24 2JCAN_ . 1 1 24 24 GLY CA C 13 1 . 1 1 25 25 SER N N 15 1 -9.72 . . 0.50 . . 1 24 Gly Ca 1 25 Ser N . 16583 1 25 2JCAN_ . 1 1 25 25 SER CA C 13 1 . 1 1 26 26 GLY N N 15 1 -8.99 . . 0.50 . . 1 25 Ser Ca 1 26 Gly N . 16583 1 26 2JCAN_ . 1 1 26 26 GLY CA C 13 1 . 1 1 27 27 THR N N 15 1 -10.11 . . 0.50 . . 1 26 Gly Ca 1 27 Thr N . 16583 1 27 2JCAN_ . 1 1 27 27 THR CA C 13 1 . 1 1 28 28 MET N N 15 1 -8.08 . . 0.50 . . 1 27 Thr Ca 1 28 Met N . 16583 1 28 2JCAN_ . 1 1 28 28 MET CA C 13 1 . 1 1 29 29 ILE N N 15 1 -8.91 . . 0.50 . . 1 28 Met Ca 1 29 Ile N . 16583 1 29 2JCAN_ . 1 1 29 29 ILE CA C 13 1 . 1 1 30 30 LEU N N 15 1 -8.06 . . 0.50 . . 1 29 Ile Ca 1 30 Leu N . 16583 1 30 2JCAN_ . 1 1 30 30 LEU CA C 13 1 . 1 1 31 31 ASN N N 15 1 -8.95 . . 0.50 . . 1 30 Leu Ca 1 31 Asn N . 16583 1 31 2JCAN_ . 1 1 31 31 ASN CA C 13 1 . 1 1 32 32 HIS N N 15 1 -8.70 . . 0.50 . . 1 31 Asn Ca 1 32 His N . 16583 1 32 2JCAN_ . 1 1 32 32 HIS CA C 13 1 . 1 1 33 33 GLY N N 15 1 -9.04 . . 0.50 . . 1 32 His Ca 1 33 Gly N . 16583 1 33 2JCAN_ . 1 1 33 33 GLY CA C 13 1 . 1 1 34 34 GLY N N 15 1 -9.34 . . 0.50 . . 1 33 Gly Ca 1 34 Gly N . 16583 1 34 2JCAN_ . 1 1 34 34 GLY CA C 13 1 . 1 1 35 35 THR N N 15 1 -6.26 . . 0.50 . . 1 34 Gly Ca 1 35 Thr N . 16583 1 35 2JCAN_ . 1 1 35 35 THR CA C 13 1 . 1 1 36 36 PHE N N 15 1 -8.43 . . 0.50 . . 1 35 Thr Ca 1 36 Phe N . 16583 1 36 2JCAN_ . 1 1 36 36 PHE CA C 13 1 . 1 1 37 37 SER N N 15 1 -8.72 . . 0.50 . . 1 36 Phe Ca 1 37 Ser N . 16583 1 37 2JCAN_ . 1 1 37 37 SER CA C 13 1 . 1 1 38 38 ALA N N 15 1 -8.32 . . 0.50 . . 1 37 Ser Ca 1 38 Ala N . 16583 1 38 2JCAN_ . 1 1 38 38 ALA CA C 13 1 . 1 1 39 39 GLN N N 15 1 -9.04 . . 0.50 . . 1 38 Ala Ca 1 39 Gln N . 16583 1 39 2JCAN_ . 1 1 39 39 GLN CA C 13 1 . 1 1 40 40 TRP N N 15 1 -8.36 . . 0.50 . . 1 39 Gln Ca 1 40 Trp N . 16583 1 40 2JCAN_ . 1 1 40 40 TRP CA C 13 1 . 1 1 41 41 ASN N N 15 1 -8.98 . . 0.50 . . 1 40 Trp Ca 1 41 Asn N . 16583 1 41 2JCAN_ . 1 1 41 41 ASN CA C 13 1 . 1 1 42 42 ASN N N 15 1 -8.59 . . 0.50 . . 1 41 Asn Ca 1 42 Asn N . 16583 1 42 2JCAN_ . 1 1 42 42 ASN CA C 13 1 . 1 1 43 43 VAL N N 15 1 -7.11 . . 0.50 . . 1 42 Asn Ca 1 43 Val N . 16583 1 43 2JCAN_ . 1 1 43 43 VAL CA C 13 1 . 1 1 44 44 ASN N N 15 1 -8.82 . . 0.50 . . 1 43 Val Ca 1 44 Asn N . 16583 1 44 2JCAN_ . 1 1 44 44 ASN CA C 13 1 . 1 1 45 45 ASN N N 15 1 -7.10 . . 0.50 . . 1 44 Asn Ca 1 45 Asn N . 16583 1 45 2JCAN_ . 1 1 45 45 ASN CA C 13 1 . 1 1 46 46 ILE N N 15 1 -9.58 . . 0.50 . . 1 45 Asn Ca 1 46 Ile N . 16583 1 46 2JCAN_ . 1 1 46 46 ILE CA C 13 1 . 1 1 47 47 LEU N N 15 1 -8.56 . . 0.50 . . 1 46 Ile Ca 1 47 Leu N . 16583 1 47 2JCAN_ . 1 1 47 47 LEU CA C 13 1 . 1 1 48 48 PHE N N 15 1 -9.54 . . 0.50 . . 1 47 Leu Ca 1 48 Phe N . 16583 1 48 2JCAN_ . 1 1 48 48 PHE CA C 13 1 . 1 1 49 49 ARG N N 15 1 -8.35 . . 0.50 . . 1 48 Phe Ca 1 49 Arg N . 16583 1 49 2JCAN_ . 1 1 49 49 ARG CA C 13 1 . 1 1 50 50 LYS N N 15 1 -9.35 . . 0.50 . . 1 49 Arg Ca 1 50 Lys N . 16583 1 50 2JCAN_ . 1 1 50 50 LYS CA C 13 1 . 1 1 51 51 GLY N N 15 1 -8.90 . . 0.50 . . 1 50 Lys Ca 1 51 Gly N . 16583 1 51 2JCAN_ . 1 1 51 51 GLY CA C 13 1 . 1 1 52 52 LYS N N 15 1 -9.30 . . 0.50 . . 1 51 Gly Ca 1 52 Lys N . 16583 1 52 2JCAN_ . 1 1 52 52 LYS CA C 13 1 . 1 1 53 53 LYS N N 15 1 -8.79 . . 0.50 . . 1 52 Lys Ca 1 53 Lys N . 16583 1 53 2JCAN_ . 1 1 53 53 LYS CA C 13 1 . 1 1 54 54 PHE N N 15 1 -8.68 . . 0.50 . . 1 53 Lys Ca 1 54 Phe N . 16583 1 54 2JCAN_ . 1 1 54 54 PHE CA C 13 1 . 1 1 55 55 ASN N N 15 1 -8.43 . . 0.50 . . 1 54 Phe Ca 1 55 Asn N . 16583 1 55 2JCAN_ . 1 1 55 55 ASN CA C 13 1 . 1 1 56 56 GLU N N 15 1 -6.18 . . 0.50 . . 1 55 Asn Ca 1 56 Glu N . 16583 1 56 2JCAN_ . 1 1 56 56 GLU CA C 13 1 . 1 1 57 57 THR N N 15 1 -6.02 . . 0.50 . . 1 56 Glu Ca 1 57 Thr N . 16583 1 57 2JCAN_ . 1 1 57 57 THR CA C 13 1 . 1 1 58 58 GLN N N 15 1 -5.30 . . 0.50 . . 1 57 Thr Ca 1 58 Gln N . 16583 1 58 2JCAN_ . 1 1 58 58 GLN CA C 13 1 . 1 1 59 59 THR N N 15 1 -8.36 . . 0.50 . . 1 58 Gln Ca 1 59 Thr N . 16583 1 59 2JCAN_ . 1 1 59 59 THR CA C 13 1 . 1 1 60 60 HIS N N 15 1 -7.78 . . 0.50 . . 1 59 Thr Ca 1 60 His N . 16583 1 60 2JCAN_ . 1 1 60 60 HIS CA C 13 1 . 1 1 61 61 GLN N N 15 1 -5.88 . . 0.50 . . 1 60 His Ca 1 61 Gln N . 16583 1 61 2JCAN_ . 1 1 61 61 GLN CA C 13 1 . 1 1 62 62 GLN N N 15 1 -5.91 . . 0.50 . . 1 61 Gln Ca 1 62 Gln N . 16583 1 62 2JCAN_ . 1 1 62 62 GLN CA C 13 1 . 1 1 63 63 VAL N N 15 1 -6.32 . . 0.50 . . 1 62 Gln Ca 1 63 Val N . 16583 1 63 2JCAN_ . 1 1 63 63 VAL CA C 13 1 . 1 1 64 64 GLY N N 15 1 -6.40 . . 0.50 . . 1 63 Val Ca 1 64 Gly N . 16583 1 64 2JCAN_ . 1 1 64 64 GLY CA C 13 1 . 1 1 65 65 ASN N N 15 1 -10.34 . . 0.50 . . 1 64 Gly Ca 1 65 Asn N . 16583 1 65 2JCAN_ . 1 1 65 65 ASN CA C 13 1 . 1 1 66 66 MET N N 15 1 -8.60 . . 0.50 . . 1 65 Asn Ca 1 66 Met N . 16583 1 66 2JCAN_ . 1 1 66 66 MET CA C 13 1 . 1 1 67 67 SER N N 15 1 -9.35 . . 0.50 . . 1 66 Met Ca 1 67 Ser N . 16583 1 67 2JCAN_ . 1 1 67 67 SER CA C 13 1 . 1 1 68 68 ILE N N 15 1 -8.36 . . 0.50 . . 1 67 Ser Ca 1 68 Ile N . 16583 1 68 2JCAN_ . 1 1 68 68 ILE CA C 13 1 . 1 1 69 69 ASN N N 15 1 -8.14 . . 0.50 . . 1 68 Ile Ca 1 69 Asn N . 16583 1 69 2JCAN_ . 1 1 69 69 ASN CA C 13 1 . 1 1 70 70 TYR N N 15 1 -8.30 . . 0.50 . . 1 69 Asn Ca 1 70 Tyr N . 16583 1 70 2JCAN_ . 1 1 70 70 TYR CA C 13 1 . 1 1 71 71 GLY N N 15 1 -8.71 . . 0.50 . . 1 70 Tyr Ca 1 71 Gly N . 16583 1 71 2JCAN_ . 1 1 71 71 GLY CA C 13 1 . 1 1 72 72 ALA N N 15 1 -9.33 . . 0.50 . . 1 71 Gly Ca 1 72 Ala N . 16583 1 72 2JCAN_ . 1 1 72 72 ALA CA C 13 1 . 1 1 73 73 ASN N N 15 1 -9.29 . . 0.50 . . 1 72 Ala Ca 1 73 Asn N . 16583 1 73 2JCAN_ . 1 1 73 73 ASN CA C 13 1 . 1 1 74 74 PHE N N 15 1 -8.23 . . 0.50 . . 1 73 Asn Ca 1 74 Phe N . 16583 1 74 2JCAN_ . 1 1 74 74 PHE CA C 13 1 . 1 1 75 75 GLN N N 15 1 -8.91 . . 0.50 . . 1 74 Phe Ca 1 75 Gln N . 16583 1 75 2JCAN_ . 1 1 76 76 PRO CA C 13 1 . 1 1 77 77 ASN N N 15 1 -9.35 . . 0.50 . . 1 76 Pro Ca 1 77 Asn N . 16583 1 76 2JCAN_ . 1 1 77 77 ASN CA C 13 1 . 1 1 78 78 GLY N N 15 1 -8.31 . . 0.50 . . 1 77 Asn Ca 1 78 Gly N . 16583 1 77 2JCAN_ . 1 1 78 78 GLY CA C 13 1 . 1 1 79 79 ASN N N 15 1 -9.12 . . 0.50 . . 1 78 Gly Ca 1 79 Asn N . 16583 1 78 2JCAN_ . 1 1 79 79 ASN CA C 13 1 . 1 1 80 80 ALA N N 15 1 -8.64 . . 0.50 . . 1 79 Asn Ca 1 80 Ala N . 16583 1 79 2JCAN_ . 1 1 80 80 ALA CA C 13 1 . 1 1 81 81 TYR N N 15 1 -8.88 . . 0.50 . . 1 80 Ala Ca 1 81 Tyr N . 16583 1 80 2JCAN_ . 1 1 81 81 TYR CA C 13 1 . 1 1 82 82 LEU N N 15 1 -9.32 . . 0.50 . . 1 81 Tyr Ca 1 82 Leu N . 16583 1 81 2JCAN_ . 1 1 82 82 LEU CA C 13 1 . 1 1 83 83 CYS N N 15 1 -7.98 . . 0.50 . . 1 82 Leu Ca 1 83 Cys N . 16583 1 82 2JCAN_ . 1 1 83 83 CYS CA C 13 1 . 1 1 84 84 VAL N N 15 1 -8.73 . . 0.50 . . 1 83 Cys Ca 1 84 Val N . 16583 1 83 2JCAN_ . 1 1 84 84 VAL CA C 13 1 . 1 1 85 85 TYR N N 15 1 -7.67 . . 0.50 . . 1 84 Val Ca 1 85 Tyr N . 16583 1 84 2JCAN_ . 1 1 85 85 TYR CA C 13 1 . 1 1 86 86 GLY N N 15 1 -8.28 . . 0.50 . . 1 85 Tyr Ca 1 86 Gly N . 16583 1 85 2JCAN_ . 1 1 86 86 GLY CA C 13 1 . 1 1 87 87 TRP N N 15 1 -9.24 . . 0.50 . . 1 86 Gly Ca 1 87 Trp N . 16583 1 86 2JCAN_ . 1 1 87 87 TRP CA C 13 1 . 1 1 88 88 THR N N 15 1 -8.44 . . 0.50 . . 1 87 Trp Ca 1 88 Thr N . 16583 1 87 2JCAN_ . 1 1 88 88 THR CA C 13 1 . 1 1 89 89 VAL N N 15 1 -8.50 . . 0.50 . . 1 88 Thr Ca 1 89 Val N . 16583 1 88 2JCAN_ . 1 1 89 89 VAL CA C 13 1 . 1 1 90 90 ASP N N 15 1 -8.50 . . 0.50 . . 1 89 Val Ca 1 90 Asp N . 16583 1 89 2JCAN_ . 1 1 91 91 PRO CA C 13 1 . 1 1 92 92 LEU N N 15 1 -9.57 . . 0.50 . . 1 91 Pro Ca 1 92 Leu N . 16583 1 90 2JCAN_ . 1 1 92 92 LEU CA C 13 1 . 1 1 93 93 VAL N N 15 1 -8.33 . . 0.50 . . 1 92 Leu Ca 1 93 Val N . 16583 1 91 2JCAN_ . 1 1 93 93 VAL CA C 13 1 . 1 1 94 94 GLU N N 15 1 -7.88 . . 0.50 . . 1 93 Val Ca 1 94 Glu N . 16583 1 92 2JCAN_ . 1 1 94 94 GLU CA C 13 1 . 1 1 95 95 TYR N N 15 1 -7.98 . . 0.50 . . 1 94 Glu Ca 1 95 Tyr N . 16583 1 93 2JCAN_ . 1 1 95 95 TYR CA C 13 1 . 1 1 96 96 TYR N N 15 1 -9.81 . . 0.50 . . 1 95 Tyr Ca 1 96 Tyr N . 16583 1 94 2JCAN_ . 1 1 96 96 TYR CA C 13 1 . 1 1 97 97 ILE N N 15 1 -8.95 . . 0.50 . . 1 96 Tyr Ca 1 97 Ile N . 16583 1 95 2JCAN_ . 1 1 97 97 ILE CA C 13 1 . 1 1 98 98 VAL N N 15 1 -7.58 . . 0.50 . . 1 97 Ile Ca 1 98 Val N . 16583 1 96 2JCAN_ . 1 1 98 98 VAL CA C 13 1 . 1 1 99 99 ASP N N 15 1 -8.20 . . 0.50 . . 1 98 Val Ca 1 99 Asp N . 16583 1 97 2JCAN_ . 1 1 99 99 ASP CA C 13 1 . 1 1 100 100 SER N N 15 1 -6.76 . . 0.50 . . 1 99 Asp Ca 1 100 Ser N . 16583 1 98 2JCAN_ . 1 1 100 100 SER CA C 13 1 . 1 1 101 101 TRP N N 15 1 -7.62 . . 0.50 . . 1 100 Ser Ca 1 101 Trp N . 16583 1 99 2JCAN_ . 1 1 101 101 TRP CA C 13 1 . 1 1 102 102 GLY N N 15 1 -8.42 . . 0.50 . . 1 101 Trp Ca 1 102 Gly N . 16583 1 100 2JCAN_ . 1 1 102 102 GLY CA C 13 1 . 1 1 103 103 ASN N N 15 1 -8.57 . . 0.50 . . 1 102 Gly Ca 1 103 Asn N . 16583 1 101 2JCAN_ . 1 1 103 103 ASN CA C 13 1 . 1 1 104 104 TRP N N 15 1 -6.42 . . 0.50 . . 1 103 Asn Ca 1 104 Trp N . 16583 1 102 2JCAN_ . 1 1 104 104 TRP CA C 13 1 . 1 1 105 105 ARG N N 15 1 -8.15 . . 0.50 . . 1 104 Trp Ca 1 105 Arg N . 16583 1 103 2JCAN_ . 1 1 107 107 PRO CA C 13 1 . 1 1 108 108 GLY N N 15 1 -5.75 . . 0.50 . . 1 107 Pro Ca 1 108 Gly N . 16583 1 104 2JCAN_ . 1 1 108 108 GLY CA C 13 1 . 1 1 109 109 ALA N N 15 1 -6.84 . . 0.50 . . 1 108 Gly Ca 1 109 Ala N . 16583 1 105 2JCAN_ . 1 1 109 109 ALA CA C 13 1 . 1 1 110 110 THR N N 15 1 -8.88 . . 0.50 . . 1 109 Ala Ca 1 110 Thr N . 16583 1 106 2JCAN_ . 1 1 111 111 PRO CA C 13 1 . 1 1 112 112 LYS N N 15 1 -9.10 . . 0.50 . . 1 111 Pro Ca 1 112 Lys N . 16583 1 107 2JCAN_ . 1 1 112 112 LYS CA C 13 1 . 1 1 113 113 GLY N N 15 1 -6.14 . . 0.50 . . 1 112 Lys Ca 1 113 Gly N . 16583 1 108 2JCAN_ . 1 1 113 113 GLY CA C 13 1 . 1 1 114 114 THR N N 15 1 -9.29 . . 0.50 . . 1 113 Gly Ca 1 114 Thr N . 16583 1 109 2JCAN_ . 1 1 114 114 THR CA C 13 1 . 1 1 115 115 ILE N N 15 1 -8.22 . . 0.50 . . 1 114 Thr Ca 1 115 Ile N . 16583 1 110 2JCAN_ . 1 1 115 115 ILE CA C 13 1 . 1 1 116 116 THR N N 15 1 -8.07 . . 0.50 . . 1 115 Ile Ca 1 116 Thr N . 16583 1 111 2JCAN_ . 1 1 116 116 THR CA C 13 1 . 1 1 117 117 VAL N N 15 1 -7.64 . . 0.50 . . 1 116 Thr Ca 1 117 Val N . 16583 1 112 2JCAN_ . 1 1 117 117 VAL CA C 13 1 . 1 1 118 118 ASP N N 15 1 -8.21 . . 0.50 . . 1 117 Val Ca 1 118 Asp N . 16583 1 113 2JCAN_ . 1 1 118 118 ASP CA C 13 1 . 1 1 119 119 GLY N N 15 1 -6.73 . . 0.50 . . 1 118 Asp Ca 1 119 Gly N . 16583 1 114 2JCAN_ . 1 1 119 119 GLY CA C 13 1 . 1 1 120 120 GLY N N 15 1 -6.53 . . 0.50 . . 1 119 Gly Ca 1 120 Gly N . 16583 1 115 2JCAN_ . 1 1 120 120 GLY CA C 13 1 . 1 1 121 121 THR N N 15 1 -9.99 . . 0.50 . . 1 120 Gly Ca 1 121 Thr N . 16583 1 116 2JCAN_ . 1 1 121 121 THR CA C 13 1 . 1 1 122 122 TYR N N 15 1 -8.51 . . 0.50 . . 1 121 Thr Ca 1 122 Tyr N . 16583 1 117 2JCAN_ . 1 1 122 122 TYR CA C 13 1 . 1 1 123 123 ASP N N 15 1 -8.26 . . 0.50 . . 1 122 Tyr Ca 1 123 Asp N . 16583 1 118 2JCAN_ . 1 1 123 123 ASP CA C 13 1 . 1 1 124 124 ILE N N 15 1 -9.30 . . 0.50 . . 1 123 Asp Ca 1 124 Ile N . 16583 1 119 2JCAN_ . 1 1 124 124 ILE CA C 13 1 . 1 1 125 125 TYR N N 15 1 -8.05 . . 0.50 . . 1 124 Ile Ca 1 125 Tyr N . 16583 1 120 2JCAN_ . 1 1 125 125 TYR CA C 13 1 . 1 1 126 126 GLU N N 15 1 -8.69 . . 0.50 . . 1 125 Tyr Ca 1 126 Glu N . 16583 1 121 2JCAN_ . 1 1 126 126 GLU CA C 13 1 . 1 1 127 127 THR N N 15 1 -8.45 . . 0.50 . . 1 126 Glu Ca 1 127 Thr N . 16583 1 122 2JCAN_ . 1 1 127 127 THR CA C 13 1 . 1 1 128 128 LEU N N 15 1 -8.18 . . 0.50 . . 1 127 Thr Ca 1 128 Leu N . 16583 1 123 2JCAN_ . 1 1 128 128 LEU CA C 13 1 . 1 1 129 129 ARG N N 15 1 -8.40 . . 0.50 . . 1 128 Leu Ca 1 129 Arg N . 16583 1 124 2JCAN_ . 1 1 129 129 ARG CA C 13 1 . 1 1 130 130 VAL N N 15 1 -8.54 . . 0.50 . . 1 129 Arg Ca 1 130 Val N . 16583 1 125 2JCAN_ . 1 1 130 130 VAL CA C 13 1 . 1 1 131 131 ASN N N 15 1 -7.93 . . 0.50 . . 1 130 Val Ca 1 131 Asn N . 16583 1 126 2JCAN_ . 1 1 131 131 ASN CA C 13 1 . 1 1 132 132 GLN N N 15 1 -7.21 . . 0.50 . . 1 131 Asn Ca 1 132 Gln N . 16583 1 127 2JCAN_ . 1 1 133 133 PRO CA C 13 1 . 1 1 134 134 SER N N 15 1 -9.97 . . 0.50 . . 1 133 Pro Ca 1 134 Ser N . 16583 1 128 2JCAN_ . 1 1 135 135 ILE CA C 13 1 . 1 1 136 136 LYS N N 15 1 -5.56 . . 0.50 . . 1 135 Ile Ca 1 136 Lys N . 16583 1 129 2JCAN_ . 1 1 136 136 LYS CA C 13 1 . 1 1 137 137 GLY N N 15 1 -6.57 . . 0.50 . . 1 136 Lys Ca 1 137 Gly N . 16583 1 130 2JCAN_ . 1 1 137 137 GLY CA C 13 1 . 1 1 138 138 ILE N N 15 1 -8.92 . . 0.50 . . 1 137 Gly Ca 1 138 Ile N . 16583 1 131 2JCAN_ . 1 1 138 138 ILE CA C 13 1 . 1 1 139 139 ALA N N 15 1 -7.70 . . 0.50 . . 1 138 Ile Ca 1 139 Ala N . 16583 1 132 2JCAN_ . 1 1 139 139 ALA CA C 13 1 . 1 1 140 140 THR N N 15 1 -9.22 . . 0.50 . . 1 139 Ala Ca 1 140 Thr N . 16583 1 133 2JCAN_ . 1 1 140 140 THR CA C 13 1 . 1 1 141 141 PHE N N 15 1 -8.04 . . 0.50 . . 1 140 Thr Ca 1 141 Phe N . 16583 1 134 2JCAN_ . 1 1 141 141 PHE CA C 13 1 . 1 1 142 142 LYS N N 15 1 -8.99 . . 0.50 . . 1 141 Phe Ca 1 142 Lys N . 16583 1 135 2JCAN_ . 1 1 142 142 LYS CA C 13 1 . 1 1 143 143 GLN N N 15 1 -9.09 . . 0.50 . . 1 142 Lys Ca 1 143 Gln N . 16583 1 136 2JCAN_ . 1 1 143 143 GLN CA C 13 1 . 1 1 144 144 TYR N N 15 1 -8.42 . . 0.50 . . 1 143 Gln Ca 1 144 Tyr N . 16583 1 137 2JCAN_ . 1 1 144 144 TYR CA C 13 1 . 1 1 145 145 TRP N N 15 1 -9.25 . . 0.50 . . 1 144 Tyr Ca 1 145 Trp N . 16583 1 138 2JCAN_ . 1 1 145 145 TRP CA C 13 1 . 1 1 146 146 SER N N 15 1 -8.80 . . 0.50 . . 1 145 Trp Ca 1 146 Ser N . 16583 1 139 2JCAN_ . 1 1 146 146 SER CA C 13 1 . 1 1 147 147 VAL N N 15 1 -7.93 . . 0.50 . . 1 146 Ser Ca 1 147 Val N . 16583 1 140 2JCAN_ . 1 1 147 147 VAL CA C 13 1 . 1 1 148 148 ARG N N 15 1 -7.78 . . 0.50 . . 1 147 Val Ca 1 148 Arg N . 16583 1 141 2JCAN_ . 1 1 148 148 ARG CA C 13 1 . 1 1 149 149 ARG N N 15 1 -8.70 . . 0.50 . . 1 148 Arg Ca 1 149 Arg N . 16583 1 142 2JCAN_ . 1 1 149 149 ARG CA C 13 1 . 1 1 150 150 SER N N 15 1 -5.86 . . 0.50 . . 1 149 Arg Ca 1 150 Ser N . 16583 1 143 2JCAN_ . 1 1 151 151 LYS CA C 13 1 . 1 1 152 152 ARG N N 15 1 -8.70 . . 0.50 . . 1 151 Lys Ca 1 152 Arg N . 16583 1 144 2JCAN_ . 1 1 152 152 ARG CA C 13 1 . 1 1 153 153 THR N N 15 1 -9.25 . . 0.50 . . 1 152 Arg Ca 1 153 Thr N . 16583 1 145 2JCAN_ . 1 1 153 153 THR CA C 13 1 . 1 1 154 154 SER N N 15 1 -5.69 . . 0.50 . . 1 153 Thr Ca 1 154 Ser N . 16583 1 146 2JCAN_ . 1 1 154 154 SER CA C 13 1 . 1 1 155 155 GLY N N 15 1 -8.72 . . 0.50 . . 1 154 Ser Ca 1 155 Gly N . 16583 1 147 2JCAN_ . 1 1 155 155 GLY CA C 13 1 . 1 1 156 156 THR N N 15 1 -9.77 . . 0.50 . . 1 155 Gly Ca 1 156 Thr N . 16583 1 148 2JCAN_ . 1 1 156 156 THR CA C 13 1 . 1 1 157 157 ILE N N 15 1 -8.25 . . 0.50 . . 1 156 Thr Ca 1 157 Ile N . 16583 1 149 2JCAN_ . 1 1 157 157 ILE CA C 13 1 . 1 1 158 158 SER N N 15 1 -7.84 . . 0.50 . . 1 157 Ile Ca 1 158 Ser N . 16583 1 150 2JCAN_ . 1 1 158 158 SER CA C 13 1 . 1 1 159 159 VAL N N 15 1 -6.81 . . 0.50 . . 1 158 Ser Ca 1 159 Val N . 16583 1 151 2JCAN_ . 1 1 159 159 VAL CA C 13 1 . 1 1 160 160 SER N N 15 1 -6.18 . . 0.50 . . 1 159 Val Ca 1 160 Ser N . 16583 1 152 2JCAN_ . 1 1 160 160 SER CA C 13 1 . 1 1 161 161 ASN N N 15 1 -5.86 . . 0.50 . . 1 160 Ser Ca 1 161 Asn N . 16583 1 153 2JCAN_ . 1 1 161 161 ASN CA C 13 1 . 1 1 162 162 HIS N N 15 1 -6.13 . . 0.50 . . 1 161 Asn Ca 1 162 His N . 16583 1 154 2JCAN_ . 1 1 162 162 HIS CA C 13 1 . 1 1 163 163 PHE N N 15 1 -6.48 . . 0.50 . . 1 162 His Ca 1 163 Phe N . 16583 1 155 2JCAN_ . 1 1 163 163 PHE CA C 13 1 . 1 1 164 164 ARG N N 15 1 -6.59 . . 0.50 . . 1 163 Phe Ca 1 164 Arg N . 16583 1 156 2JCAN_ . 1 1 164 164 ARG CA C 13 1 . 1 1 165 165 ALA N N 15 1 -5.95 . . 0.50 . . 1 164 Arg Ca 1 165 Ala N . 16583 1 157 2JCAN_ . 1 1 165 165 ALA CA C 13 1 . 1 1 166 166 TRP N N 15 1 -6.32 . . 0.50 . . 1 165 Ala Ca 1 166 Trp N . 16583 1 158 2JCAN_ . 1 1 166 166 TRP CA C 13 1 . 1 1 167 167 GLU N N 15 1 -6.29 . . 0.50 . . 1 166 Trp Ca 1 167 Glu N . 16583 1 159 2JCAN_ . 1 1 167 167 GLU CA C 13 1 . 1 1 168 168 ASN N N 15 1 -5.88 . . 0.50 . . 1 167 Glu Ca 1 168 Asn N . 16583 1 160 2JCAN_ . 1 1 168 168 ASN CA C 13 1 . 1 1 169 169 LEU N N 15 1 -6.31 . . 0.50 . . 1 168 Asn Ca 1 169 Leu N . 16583 1 161 2JCAN_ . 1 1 169 169 LEU CA C 13 1 . 1 1 170 170 GLY N N 15 1 -6.17 . . 0.50 . . 1 169 Leu Ca 1 170 Gly N . 16583 1 162 2JCAN_ . 1 1 170 170 GLY CA C 13 1 . 1 1 171 171 MET N N 15 1 -6.08 . . 0.50 . . 1 170 Gly Ca 1 171 Met N . 16583 1 163 2JCAN_ . 1 1 171 171 MET CA C 13 1 . 1 1 172 172 ASN N N 15 1 -8.61 . . 0.50 . . 1 171 Met Ca 1 172 Asn N . 16583 1 164 2JCAN_ . 1 1 172 172 ASN CA C 13 1 . 1 1 173 173 MET N N 15 1 -9.24 . . 0.50 . . 1 172 Asn Ca 1 173 Met N . 16583 1 165 2JCAN_ . 1 1 173 173 MET CA C 13 1 . 1 1 174 174 GLY N N 15 1 -9.74 . . 0.50 . . 1 173 Met Ca 1 174 Gly N . 16583 1 166 2JCAN_ . 1 1 174 174 GLY CA C 13 1 . 1 1 175 175 LYS N N 15 1 -9.79 . . 0.50 . . 1 174 Gly Ca 1 175 Lys N . 16583 1 167 2JCAN_ . 1 1 175 175 LYS CA C 13 1 . 1 1 176 176 MET N N 15 1 -8.34 . . 0.50 . . 1 175 Lys Ca 1 176 Met N . 16583 1 168 2JCAN_ . 1 1 176 176 MET CA C 13 1 . 1 1 177 177 TYR N N 15 1 -9.30 . . 0.50 . . 1 176 Met Ca 1 177 Tyr N . 16583 1 169 2JCAN_ . 1 1 177 177 TYR CA C 13 1 . 1 1 178 178 GLU N N 15 1 -6.36 . . 0.50 . . 1 177 Tyr Ca 1 178 Glu N . 16583 1 170 2JCAN_ . 1 1 178 178 GLU CA C 13 1 . 1 1 179 179 VAL N N 15 1 -8.32 . . 0.50 . . 1 178 Glu Ca 1 179 Val N . 16583 1 171 2JCAN_ . 1 1 179 179 VAL CA C 13 1 . 1 1 180 180 ALA N N 15 1 -8.02 . . 0.50 . . 1 179 Val Ca 1 180 Ala N . 16583 1 172 2JCAN_ . 1 1 180 180 ALA CA C 13 1 . 1 1 181 181 LEU N N 15 1 -8.54 . . 0.50 . . 1 180 Ala Ca 1 181 Leu N . 16583 1 173 2JCAN_ . 1 1 181 181 LEU CA C 13 1 . 1 1 182 182 THR N N 15 1 -9.15 . . 0.50 . . 1 181 Leu Ca 1 182 Thr N . 16583 1 174 2JCAN_ . 1 1 182 182 THR CA C 13 1 . 1 1 183 183 VAL N N 15 1 -8.81 . . 0.50 . . 1 182 Thr Ca 1 183 Val N . 16583 1 175 2JCAN_ . 1 1 183 183 VAL CA C 13 1 . 1 1 184 184 GLU N N 15 1 -8.35 . . 0.50 . . 1 183 Val Ca 1 184 Glu N . 16583 1 176 2JCAN_ . 1 1 184 184 GLU CA C 13 1 . 1 1 185 185 GLY N N 15 1 -9.10 . . 0.50 . . 1 184 Glu Ca 1 185 Gly N . 16583 1 177 2JCAN_ . 1 1 185 185 GLY CA C 13 1 . 1 1 186 186 TYR N N 15 1 -9.49 . . 0.50 . . 1 185 Gly Ca 1 186 Tyr N . 16583 1 178 2JCAN_ . 1 1 186 186 TYR CA C 13 1 . 1 1 187 187 GLN N N 15 1 -8.36 . . 0.50 . . 1 186 Tyr Ca 1 187 Gln N . 16583 1 179 2JCAN_ . 1 1 187 187 GLN CA C 13 1 . 1 1 188 188 SER N N 15 1 -6.46 . . 0.50 . . 1 187 Gln Ca 1 188 Ser N . 16583 1 180 2JCAN_ . 1 1 188 188 SER CA C 13 1 . 1 1 189 189 SER N N 15 1 -8.88 . . 0.50 . . 1 188 Ser Ca 1 189 Ser N . 16583 1 181 2JCAN_ . 1 1 189 189 SER CA C 13 1 . 1 1 190 190 GLY N N 15 1 -7.93 . . 0.50 . . 1 189 Ser Ca 1 190 Gly N . 16583 1 182 2JCAN_ . 1 1 190 190 GLY CA C 13 1 . 1 1 191 191 SER N N 15 1 -9.11 . . 0.50 . . 1 190 Gly Ca 1 191 Ser N . 16583 1 183 2JCAN_ . 1 1 191 191 SER CA C 13 1 . 1 1 192 192 ALA N N 15 1 -8.55 . . 0.50 . . 1 191 Ser Ca 1 192 Ala N . 16583 1 184 2JCAN_ . 1 1 192 192 ALA CA C 13 1 . 1 1 193 193 ASN N N 15 1 -8.84 . . 0.50 . . 1 192 Ala Ca 1 193 Asn N . 16583 1 185 2JCAN_ . 1 1 193 193 ASN CA C 13 1 . 1 1 194 194 VAL N N 15 1 -8.12 . . 0.50 . . 1 193 Asn Ca 1 194 Val N . 16583 1 186 2JCAN_ . 1 1 194 194 VAL CA C 13 1 . 1 1 195 195 TYR N N 15 1 -7.49 . . 0.50 . . 1 194 Val Ca 1 195 Tyr N . 16583 1 187 2JCAN_ . 1 1 195 195 TYR CA C 13 1 . 1 1 196 196 SER N N 15 1 -5.99 . . 0.50 . . 1 195 Tyr Ca 1 196 Ser N . 16583 1 188 2JCAN_ . 1 1 196 196 SER CA C 13 1 . 1 1 197 197 ASN N N 15 1 -8.10 . . 0.50 . . 1 196 Ser Ca 1 197 Asn N . 16583 1 189 2JCAN_ . 1 1 197 197 ASN CA C 13 1 . 1 1 198 198 THR N N 15 1 -8.65 . . 0.50 . . 1 197 Asn Ca 1 198 Thr N . 16583 1 190 2JCAN_ . 1 1 198 198 THR CA C 13 1 . 1 1 199 199 LEU N N 15 1 -7.73 . . 0.50 . . 1 198 Thr Ca 1 199 Leu N . 16583 1 191 2JCAN_ . 1 1 199 199 LEU CA C 13 1 . 1 1 200 200 ARG N N 15 1 -8.99 . . 0.50 . . 1 199 Leu Ca 1 200 Arg N . 16583 1 192 2JCAN_ . 1 1 200 200 ARG CA C 13 1 . 1 1 201 201 ILE N N 15 1 -8.77 . . 0.50 . . 1 200 Arg Ca 1 201 Ile N . 16583 1 193 2JCAN_ . 1 1 201 201 ILE CA C 13 1 . 1 1 202 202 ASN N N 15 1 -7.60 . . 0.50 . . 1 201 Ile Ca 1 202 Asn N . 16583 1 194 2JCAN_ . 1 1 202 202 ASN CA C 13 1 . 1 1 203 203 GLY N N 15 1 -7.21 . . 0.50 . . 1 202 Asn Ca 1 203 Gly N . 16583 1 195 2JCAN_ . 1 1 203 203 GLY CA C 13 1 . 1 1 204 204 ASN N N 15 1 -6.51 . . 0.50 . . 1 203 Gly Ca 1 204 Asn N . 16583 1 196 2JCAN_ . 1 1 205 205 PRO CA C 13 1 . 1 1 206 206 LEU N N 15 1 -8.67 . . 0.50 . . 1 205 Pro Ca 1 206 Leu N . 16583 1 197 2JCAN_ . 1 1 206 206 LEU CA C 13 1 . 1 1 207 207 SER N N 15 1 -7.55 . . 0.50 . . 1 206 Leu Ca 1 207 Ser N . 16583 1 stop_ save_ save_2JHNCa _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 2JHNCa _Coupling_constant_list.Entry_ID 16583 _Coupling_constant_list.ID 2 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 950 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 2 '2D IPAP-type HN(CO-a/b-NCa-J)-TROSY' . . . 16583 2 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 2JHNCA . 1 1 2 2 ILE H H 1 1 . 1 1 2 2 ILE CA C 13 1 1.70 . . 0.50 . . 1 2 Ile HN 1 2 Ile Ca . 16583 2 2 2JHNCA . 1 1 3 3 VAL H H 1 1 . 1 1 3 3 VAL CA C 13 1 1.43 . . 0.50 . . 1 3 Val HN 1 3 Val Ca . 16583 2 3 2JHNCA . 1 1 4 4 THR H H 1 1 . 1 1 4 4 THR CA C 13 1 0.71 . . 0.50 . . 1 4 Thr HN 1 4 Thr Ca . 16583 2 4 2JHNCA . 1 1 5 5 ASP H H 1 1 . 1 1 5 5 ASP CA C 13 1 1.25 . . 0.50 . . 1 5 Asp HN 1 5 Asp Ca . 16583 2 5 2JHNCA . 1 1 6 6 ASN H H 1 1 . 1 1 6 6 ASN CA C 13 1 2.63 . . 0.50 . . 1 6 Asn HN 1 6 Asn Ca . 16583 2 6 2JHNCA . 1 1 7 7 SER H H 1 1 . 1 1 7 7 SER CA C 13 1 0.81 . . 0.50 . . 1 7 Ser HN 1 7 Ser Ca . 16583 2 7 2JHNCA . 1 1 8 8 ILE H H 1 1 . 1 1 8 8 ILE CA C 13 1 -0.53 . . 0.50 . . 1 8 Ile HN 1 8 Ile Ca . 16583 2 8 2JHNCA . 1 1 9 9 GLY H H 1 1 . 1 1 9 9 GLY CA C 13 1 0.49 . . 0.50 . . 1 9 Gly HN 1 9 Gly Ca . 16583 2 9 2JHNCA . 1 1 10 10 ASN H H 1 1 . 1 1 10 10 ASN CA C 13 1 1.82 . . 0.50 . . 1 10 Asn HN 1 10 Asn Ca . 16583 2 10 2JHNCA . 1 1 11 11 HIS H H 1 1 . 1 1 11 11 HIS CA C 13 1 1.44 . . 0.50 . . 1 11 His HN 1 11 His Ca . 16583 2 11 2JHNCA . 1 1 12 12 ASP H H 1 1 . 1 1 12 12 ASP CA C 13 1 0.40 . . 0.50 . . 1 12 Asp HN 1 12 Asp Ca . 16583 2 12 2JHNCA . 1 1 13 13 GLY H H 1 1 . 1 1 13 13 GLY CA C 13 1 3.18 . . 0.50 . . 1 13 Gly HN 1 13 Gly Ca . 16583 2 13 2JHNCA . 1 1 14 14 TYR H H 1 1 . 1 1 14 14 TYR CA C 13 1 1.37 . . 0.50 . . 1 14 Tyr HN 1 14 Tyr Ca . 16583 2 14 2JHNCA . 1 1 15 15 ASP H H 1 1 . 1 1 15 15 ASP CA C 13 1 2.02 . . 0.50 . . 1 15 Asp HN 1 15 Asp Ca . 16583 2 15 2JHNCA . 1 1 16 16 TYR H H 1 1 . 1 1 16 16 TYR CA C 13 1 1.04 . . 0.50 . . 1 16 Tyr HN 1 16 Tyr Ca . 16583 2 16 2JHNCA . 1 1 17 17 GLU H H 1 1 . 1 1 17 17 GLU CA C 13 1 0.92 . . 0.50 . . 1 17 Glu HN 1 17 Glu Ca . 16583 2 17 2JHNCA . 1 1 18 18 PHE H H 1 1 . 1 1 18 18 PHE CA C 13 1 1.49 . . 0.50 . . 1 18 Phe HN 1 18 Phe Ca . 16583 2 18 2JHNCA . 1 1 19 19 TRP H H 1 1 . 1 1 19 19 TRP CA C 13 1 2.14 . . 0.50 . . 1 19 Trp HN 1 19 Trp Ca . 16583 2 19 2JHNCA . 1 1 20 20 LYS H H 1 1 . 1 1 20 20 LYS CA C 13 1 1.06 . . 0.50 . . 1 20 Lys HN 1 20 Lys Ca . 16583 2 20 2JHNCA . 1 1 21 21 ASP H H 1 1 . 1 1 21 21 ASP CA C 13 1 1.03 . . 0.50 . . 1 21 Asp HN 1 21 Asp Ca . 16583 2 21 2JHNCA . 1 1 22 22 SER H H 1 1 . 1 1 22 22 SER CA C 13 1 3.27 . . 0.50 . . 1 22 Ser HN 1 22 Ser Ca . 16583 2 22 2JHNCA . 1 1 23 23 GLY H H 1 1 . 1 1 23 23 GLY CA C 13 1 1.51 . . 0.50 . . 1 23 Gly HN 1 23 Gly Ca . 16583 2 23 2JHNCA . 1 1 24 24 GLY H H 1 1 . 1 1 24 24 GLY CA C 13 1 3.10 . . 0.50 . . 1 24 Gly HN 1 24 Gly Ca . 16583 2 24 2JHNCA . 1 1 25 25 SER H H 1 1 . 1 1 25 25 SER CA C 13 1 0.89 . . 0.50 . . 1 25 Ser HN 1 25 Ser Ca . 16583 2 25 2JHNCA . 1 1 26 26 GLY H H 1 1 . 1 1 26 26 GLY CA C 13 1 1.40 . . 0.50 . . 1 26 Gly HN 1 26 Gly Ca . 16583 2 26 2JHNCA . 1 1 27 27 THR H H 1 1 . 1 1 27 27 THR CA C 13 1 0.54 . . 0.50 . . 1 27 Thr HN 1 27 Thr Ca . 16583 2 27 2JHNCA . 1 1 28 28 MET H H 1 1 . 1 1 28 28 MET CA C 13 1 1.16 . . 0.50 . . 1 28 Met HN 1 28 Met Ca . 16583 2 28 2JHNCA . 1 1 29 29 ILE H H 1 1 . 1 1 29 29 ILE CA C 13 1 2.38 . . 0.50 . . 1 29 Ile HN 1 29 Ile Ca . 16583 2 29 2JHNCA . 1 1 30 30 LEU H H 1 1 . 1 1 30 30 LEU CA C 13 1 1.46 . . 0.50 . . 1 30 Leu HN 1 30 Leu Ca . 16583 2 30 2JHNCA . 1 1 31 31 ASN H H 1 1 . 1 1 31 31 ASN CA C 13 1 0.84 . . 0.50 . . 1 31 Asn HN 1 31 Asn Ca . 16583 2 31 2JHNCA . 1 1 32 32 HIS H H 1 1 . 1 1 32 32 HIS CA C 13 1 3.28 . . 0.50 . . 1 32 His HN 1 32 His Ca . 16583 2 32 2JHNCA . 1 1 33 33 GLY H H 1 1 . 1 1 33 33 GLY CA C 13 1 1.05 . . 0.50 . . 1 33 Gly HN 1 33 Gly Ca . 16583 2 33 2JHNCA . 1 1 34 34 GLY H H 1 1 . 1 1 34 34 GLY CA C 13 1 2.93 . . 0.50 . . 1 34 Gly HN 1 34 Gly Ca . 16583 2 34 2JHNCA . 1 1 35 35 THR H H 1 1 . 1 1 35 35 THR CA C 13 1 2.17 . . 0.50 . . 1 35 Thr HN 1 35 Thr Ca . 16583 2 35 2JHNCA . 1 1 36 36 PHE H H 1 1 . 1 1 36 36 PHE CA C 13 1 2.87 . . 0.50 . . 1 36 Phe HN 1 36 Phe Ca . 16583 2 36 2JHNCA . 1 1 37 37 SER H H 1 1 . 1 1 37 37 SER CA C 13 1 0.91 . . 0.50 . . 1 37 Ser HN 1 37 Ser Ca . 16583 2 37 2JHNCA . 1 1 38 38 ALA H H 1 1 . 1 1 38 38 ALA CA C 13 1 1.81 . . 0.50 . . 1 38 Ala HN 1 38 Ala Ca . 16583 2 38 2JHNCA . 1 1 39 39 GLN H H 1 1 . 1 1 39 39 GLN CA C 13 1 1.51 . . 0.50 . . 1 39 Gln HN 1 39 Gln Ca . 16583 2 39 2JHNCA . 1 1 40 40 TRP H H 1 1 . 1 1 40 40 TRP CA C 13 1 0.44 . . 0.50 . . 1 40 Trp HN 1 40 Trp Ca . 16583 2 40 2JHNCA . 1 1 41 41 ASN H H 1 1 . 1 1 41 41 ASN CA C 13 1 1.88 . . 0.50 . . 1 41 Asn HN 1 41 Asn Ca . 16583 2 41 2JHNCA . 1 1 42 42 ASN H H 1 1 . 1 1 42 42 ASN CA C 13 1 2.66 . . 0.50 . . 1 42 Asn HN 1 42 Asn Ca . 16583 2 42 2JHNCA . 1 1 43 43 VAL H H 1 1 . 1 1 43 43 VAL CA C 13 1 3.14 . . 0.50 . . 1 43 Val HN 1 43 Val Ca . 16583 2 43 2JHNCA . 1 1 44 44 ASN H H 1 1 . 1 1 44 44 ASN CA C 13 1 0.78 . . 0.50 . . 1 44 Asn HN 1 44 Asn Ca . 16583 2 44 2JHNCA . 1 1 45 45 ASN H H 1 1 . 1 1 45 45 ASN CA C 13 1 0.50 . . 0.50 . . 1 45 Asn HN 1 45 Asn Ca . 16583 2 45 2JHNCA . 1 1 46 46 ILE H H 1 1 . 1 1 46 46 ILE CA C 13 1 1.17 . . 0.50 . . 1 46 Ile HN 1 46 Ile Ca . 16583 2 46 2JHNCA . 1 1 47 47 LEU H H 1 1 . 1 1 47 47 LEU CA C 13 1 1.20 . . 0.50 . . 1 47 Leu HN 1 47 Leu Ca . 16583 2 47 2JHNCA . 1 1 48 48 PHE H H 1 1 . 1 1 48 48 PHE CA C 13 1 1.47 . . 0.50 . . 1 48 Phe HN 1 48 Phe Ca . 16583 2 48 2JHNCA . 1 1 50 50 LYS H H 1 1 . 1 1 50 50 LYS CA C 13 1 2.17 . . 0.50 . . 1 50 Lys HN 1 50 Lys Ca . 16583 2 49 2JHNCA . 1 1 51 51 GLY H H 1 1 . 1 1 51 51 GLY CA C 13 1 1.69 . . 0.50 . . 1 51 Gly HN 1 51 Gly Ca . 16583 2 50 2JHNCA . 1 1 52 52 LYS H H 1 1 . 1 1 52 52 LYS CA C 13 1 1.33 . . 0.50 . . 1 52 Lys HN 1 52 Lys Ca . 16583 2 51 2JHNCA . 1 1 53 53 LYS H H 1 1 . 1 1 53 53 LYS CA C 13 1 1.43 . . 0.50 . . 1 53 Lys HN 1 53 Lys Ca . 16583 2 52 2JHNCA . 1 1 54 54 PHE H H 1 1 . 1 1 54 54 PHE CA C 13 1 0.78 . . 0.50 . . 1 54 Phe HN 1 54 Phe Ca . 16583 2 53 2JHNCA . 1 1 55 55 ASN H H 1 1 . 1 1 55 55 ASN CA C 13 1 0.92 . . 0.50 . . 1 55 Asn HN 1 55 Asn Ca . 16583 2 54 2JHNCA . 1 1 56 56 GLU H H 1 1 . 1 1 56 56 GLU CA C 13 1 2.79 . . 0.50 . . 1 56 Glu HN 1 56 Glu Ca . 16583 2 55 2JHNCA . 1 1 57 57 THR H H 1 1 . 1 1 57 57 THR CA C 13 1 1.02 . . 0.50 . . 1 57 Thr HN 1 57 Thr Ca . 16583 2 56 2JHNCA . 1 1 58 58 GLN H H 1 1 . 1 1 58 58 GLN CA C 13 1 1.17 . . 0.50 . . 1 58 Gln HN 1 58 Gln Ca . 16583 2 57 2JHNCA . 1 1 59 59 THR H H 1 1 . 1 1 59 59 THR CA C 13 1 2.26 . . 0.50 . . 1 59 Thr HN 1 59 Thr Ca . 16583 2 58 2JHNCA . 1 1 60 60 HIS H H 1 1 . 1 1 60 60 HIS CA C 13 1 4.22 . . 0.50 . . 1 60 His HN 1 60 His Ca . 16583 2 59 2JHNCA . 1 1 61 61 GLN H H 1 1 . 1 1 61 61 GLN CA C 13 1 3.64 . . 0.50 . . 1 61 Gln HN 1 61 Gln Ca . 16583 2 60 2JHNCA . 1 1 62 62 GLN H H 1 1 . 1 1 62 62 GLN CA C 13 1 1.79 . . 0.50 . . 1 62 Gln HN 1 62 Gln Ca . 16583 2 61 2JHNCA . 1 1 63 63 VAL H H 1 1 . 1 1 63 63 VAL CA C 13 1 3.07 . . 0.50 . . 1 63 Val HN 1 63 Val Ca . 16583 2 62 2JHNCA . 1 1 64 64 GLY H H 1 1 . 1 1 64 64 GLY CA C 13 1 1.15 . . 0.50 . . 1 64 Gly HN 1 64 Gly Ca . 16583 2 63 2JHNCA . 1 1 65 65 ASN H H 1 1 . 1 1 65 65 ASN CA C 13 1 1.81 . . 0.50 . . 1 65 Asn HN 1 65 Asn Ca . 16583 2 64 2JHNCA . 1 1 66 66 MET H H 1 1 . 1 1 66 66 MET CA C 13 1 3.28 . . 0.50 . . 1 66 Met HN 1 66 Met Ca . 16583 2 65 2JHNCA . 1 1 67 67 SER H H 1 1 . 1 1 67 67 SER CA C 13 1 1.25 . . 0.50 . . 1 67 Ser HN 1 67 Ser Ca . 16583 2 66 2JHNCA . 1 1 68 68 ILE H H 1 1 . 1 1 68 68 ILE CA C 13 1 0.77 . . 0.50 . . 1 68 Ile HN 1 68 Ile Ca . 16583 2 67 2JHNCA . 1 1 69 69 ASN H H 1 1 . 1 1 69 69 ASN CA C 13 1 1.33 . . 0.50 . . 1 69 Asn HN 1 69 Asn Ca . 16583 2 68 2JHNCA . 1 1 70 70 TYR H H 1 1 . 1 1 70 70 TYR CA C 13 1 3.00 . . 0.50 . . 1 70 Tyr HN 1 70 Tyr Ca . 16583 2 69 2JHNCA . 1 1 71 71 GLY H H 1 1 . 1 1 71 71 GLY CA C 13 1 1.79 . . 0.50 . . 1 71 Gly HN 1 71 Gly Ca . 16583 2 70 2JHNCA . 1 1 72 72 ALA H H 1 1 . 1 1 72 72 ALA CA C 13 1 1.36 . . 0.50 . . 1 72 Ala HN 1 72 Ala Ca . 16583 2 71 2JHNCA . 1 1 73 73 ASN H H 1 1 . 1 1 73 73 ASN CA C 13 1 1.61 . . 0.50 . . 1 73 Asn HN 1 73 Asn Ca . 16583 2 72 2JHNCA . 1 1 74 74 PHE H H 1 1 . 1 1 74 74 PHE CA C 13 1 2.73 . . 0.50 . . 1 74 Phe HN 1 74 Phe Ca . 16583 2 73 2JHNCA . 1 1 75 75 GLN H H 1 1 . 1 1 75 75 GLN CA C 13 1 3.43 . . 0.50 . . 1 75 Gln HN 1 75 Gln Ca . 16583 2 74 2JHNCA . 1 1 77 77 ASN H H 1 1 . 1 1 77 77 ASN CA C 13 1 1.61 . . 0.50 . . 1 77 Asn HN 1 77 Asn Ca . 16583 2 75 2JHNCA . 1 1 78 78 GLY H H 1 1 . 1 1 78 78 GLY CA C 13 1 2.53 . . 0.50 . . 1 78 Gly HN 1 78 Gly Ca . 16583 2 76 2JHNCA . 1 1 79 79 ASN H H 1 1 . 1 1 79 79 ASN CA C 13 1 3.17 . . 0.50 . . 1 79 Asn HN 1 79 Asn Ca . 16583 2 77 2JHNCA . 1 1 80 80 ALA H H 1 1 . 1 1 80 80 ALA CA C 13 1 1.42 . . 0.50 . . 1 80 Ala HN 1 80 Ala Ca . 16583 2 78 2JHNCA . 1 1 81 81 TYR H H 1 1 . 1 1 81 81 TYR CA C 13 1 2.19 . . 0.50 . . 1 81 Tyr HN 1 81 Tyr Ca . 16583 2 79 2JHNCA . 1 1 82 82 LEU H H 1 1 . 1 1 82 82 LEU CA C 13 1 0.90 . . 0.50 . . 1 82 Leu HN 1 82 Leu Ca . 16583 2 80 2JHNCA . 1 1 83 83 CYS H H 1 1 . 1 1 83 83 CYS CA C 13 1 0.63 . . 0.50 . . 1 83 Cys HN 1 83 Cys Ca . 16583 2 81 2JHNCA . 1 1 84 84 VAL H H 1 1 . 1 1 84 84 VAL CA C 13 1 1.83 . . 0.50 . . 1 84 Val HN 1 84 Val Ca . 16583 2 82 2JHNCA . 1 1 85 85 TYR H H 1 1 . 1 1 85 85 TYR CA C 13 1 0.35 . . 0.50 . . 1 85 Tyr HN 1 85 Tyr Ca . 16583 2 83 2JHNCA . 1 1 86 86 GLY H H 1 1 . 1 1 86 86 GLY CA C 13 1 2.15 . . 0.50 . . 1 86 Gly HN 1 86 Gly Ca . 16583 2 84 2JHNCA . 1 1 87 87 TRP H H 1 1 . 1 1 87 87 TRP CA C 13 1 -4.36 . . 0.50 . . 1 87 Trp HN 1 87 Trp Ca . 16583 2 85 2JHNCA . 1 1 88 88 THR H H 1 1 . 1 1 88 88 THR CA C 13 1 0.79 . . 0.50 . . 1 88 Thr HN 1 88 Thr Ca . 16583 2 86 2JHNCA . 1 1 89 89 VAL H H 1 1 . 1 1 89 89 VAL CA C 13 1 2.08 . . 0.50 . . 1 89 Val HN 1 89 Val Ca . 16583 2 87 2JHNCA . 1 1 92 92 LEU H H 1 1 . 1 1 92 92 LEU CA C 13 1 1.22 . . 0.50 . . 1 92 Leu HN 1 92 Leu Ca . 16583 2 88 2JHNCA . 1 1 93 93 VAL H H 1 1 . 1 1 93 93 VAL CA C 13 1 2.30 . . 0.50 . . 1 93 Val HN 1 93 Val Ca . 16583 2 89 2JHNCA . 1 1 94 94 GLU H H 1 1 . 1 1 94 94 GLU CA C 13 1 1.84 . . 0.50 . . 1 94 Glu HN 1 94 Glu Ca . 16583 2 90 2JHNCA . 1 1 95 95 TYR H H 1 1 . 1 1 95 95 TYR CA C 13 1 0.60 . . 0.50 . . 1 95 Tyr HN 1 95 Tyr Ca . 16583 2 91 2JHNCA . 1 1 96 96 TYR H H 1 1 . 1 1 96 96 TYR CA C 13 1 2.60 . . 0.50 . . 1 96 Tyr HN 1 96 Tyr Ca . 16583 2 92 2JHNCA . 1 1 97 97 ILE H H 1 1 . 1 1 97 97 ILE CA C 13 1 2.06 . . 0.50 . . 1 97 Ile HN 1 97 Ile Ca . 16583 2 93 2JHNCA . 1 1 98 98 VAL H H 1 1 . 1 1 98 98 VAL CA C 13 1 2.21 . . 0.50 . . 1 98 Val HN 1 98 Val Ca . 16583 2 94 2JHNCA . 1 1 99 99 ASP H H 1 1 . 1 1 99 99 ASP CA C 13 1 3.61 . . 0.50 . . 1 99 Asp HN 1 99 Asp Ca . 16583 2 95 2JHNCA . 1 1 100 100 SER H H 1 1 . 1 1 100 100 SER CA C 13 1 1.62 . . 0.50 . . 1 100 Ser HN 1 100 Ser Ca . 16583 2 96 2JHNCA . 1 1 101 101 TRP H H 1 1 . 1 1 101 101 TRP CA C 13 1 1.11 . . 0.50 . . 1 101 Trp HN 1 101 Trp Ca . 16583 2 97 2JHNCA . 1 1 102 102 GLY H H 1 1 . 1 1 102 102 GLY CA C 13 1 3.57 . . 0.50 . . 1 102 Gly HN 1 102 Gly Ca . 16583 2 98 2JHNCA . 1 1 103 103 ASN H H 1 1 . 1 1 103 103 ASN CA C 13 1 2.57 . . 0.50 . . 1 103 Asn HN 1 103 Asn Ca . 16583 2 99 2JHNCA . 1 1 105 105 ARG H H 1 1 . 1 1 105 105 ARG CA C 13 1 2.32 . . 0.50 . . 1 105 Arg HN 1 105 Arg Ca . 16583 2 100 2JHNCA . 1 1 108 108 GLY H H 1 1 . 1 1 108 108 GLY CA C 13 1 2.66 . . 0.50 . . 1 108 Gly HN 1 108 Gly Ca . 16583 2 101 2JHNCA . 1 1 109 109 ALA H H 1 1 . 1 1 109 109 ALA CA C 13 1 1.68 . . 0.50 . . 1 109 Ala HN 1 109 Ala Ca . 16583 2 102 2JHNCA . 1 1 110 110 THR H H 1 1 . 1 1 110 110 THR CA C 13 1 2.26 . . 0.50 . . 1 110 Thr HN 1 110 Thr Ca . 16583 2 103 2JHNCA . 1 1 112 112 LYS H H 1 1 . 1 1 112 112 LYS CA C 13 1 1.94 . . 0.50 . . 1 112 Lys HN 1 112 Lys Ca . 16583 2 104 2JHNCA . 1 1 113 113 GLY H H 1 1 . 1 1 113 113 GLY CA C 13 1 1.95 . . 0.50 . . 1 113 Gly HN 1 113 Gly Ca . 16583 2 105 2JHNCA . 1 1 114 114 THR H H 1 1 . 1 1 114 114 THR CA C 13 1 0.78 . . 0.50 . . 1 114 Thr HN 1 114 Thr Ca . 16583 2 106 2JHNCA . 1 1 115 115 ILE H H 1 1 . 1 1 115 115 ILE CA C 13 1 1.84 . . 0.50 . . 1 115 Ile HN 1 115 Ile Ca . 16583 2 107 2JHNCA . 1 1 116 116 THR H H 1 1 . 1 1 116 116 THR CA C 13 1 2.17 . . 0.50 . . 1 116 Thr HN 1 116 Thr Ca . 16583 2 108 2JHNCA . 1 1 117 117 VAL H H 1 1 . 1 1 117 117 VAL CA C 13 1 3.22 . . 0.50 . . 1 117 Val HN 1 117 Val Ca . 16583 2 109 2JHNCA . 1 1 118 118 ASP H H 1 1 . 1 1 118 118 ASP CA C 13 1 4.13 . . 0.50 . . 1 118 Asp HN 1 118 Asp Ca . 16583 2 110 2JHNCA . 1 1 119 119 GLY H H 1 1 . 1 1 119 119 GLY CA C 13 1 2.06 . . 0.50 . . 1 119 Gly HN 1 119 Gly Ca . 16583 2 111 2JHNCA . 1 1 120 120 GLY H H 1 1 . 1 1 120 120 GLY CA C 13 1 1.15 . . 0.50 . . 1 120 Gly HN 1 120 Gly Ca . 16583 2 112 2JHNCA . 1 1 121 121 THR H H 1 1 . 1 1 121 121 THR CA C 13 1 1.11 . . 0.50 . . 1 121 Thr HN 1 121 Thr Ca . 16583 2 113 2JHNCA . 1 1 122 122 TYR H H 1 1 . 1 1 122 122 TYR CA C 13 1 0.96 . . 0.50 . . 1 122 Tyr HN 1 122 Tyr Ca . 16583 2 114 2JHNCA . 1 1 123 123 ASP H H 1 1 . 1 1 123 123 ASP CA C 13 1 0.75 . . 0.50 . . 1 123 Asp HN 1 123 Asp Ca . 16583 2 115 2JHNCA . 1 1 124 124 ILE H H 1 1 . 1 1 124 124 ILE CA C 13 1 0.44 . . 0.50 . . 1 124 Ile HN 1 124 Ile Ca . 16583 2 116 2JHNCA . 1 1 125 125 TYR H H 1 1 . 1 1 125 125 TYR CA C 13 1 1.83 . . 0.50 . . 1 125 Tyr HN 1 125 Tyr Ca . 16583 2 117 2JHNCA . 1 1 126 126 GLU H H 1 1 . 1 1 126 126 GLU CA C 13 1 1.05 . . 0.50 . . 1 126 Glu HN 1 126 Glu Ca . 16583 2 118 2JHNCA . 1 1 127 127 THR H H 1 1 . 1 1 127 127 THR CA C 13 1 0.20 . . 0.50 . . 1 127 Thr HN 1 127 Thr Ca . 16583 2 119 2JHNCA . 1 1 128 128 LEU H H 1 1 . 1 1 128 128 LEU CA C 13 1 1.21 . . 0.50 . . 1 128 Leu HN 1 128 Leu Ca . 16583 2 120 2JHNCA . 1 1 129 129 ARG H H 1 1 . 1 1 129 129 ARG CA C 13 1 1.58 . . 0.50 . . 1 129 Arg HN 1 129 Arg Ca . 16583 2 121 2JHNCA . 1 1 131 131 ASN H H 1 1 . 1 1 131 131 ASN CA C 13 1 2.39 . . 0.50 . . 1 131 Asn HN 1 131 Asn Ca . 16583 2 122 2JHNCA . 1 1 132 132 GLN H H 1 1 . 1 1 132 132 GLN CA C 13 1 1.13 . . 0.50 . . 1 132 Gln HN 1 132 Gln Ca . 16583 2 123 2JHNCA . 1 1 134 134 SER H H 1 1 . 1 1 134 134 SER CA C 13 1 2.02 . . 0.50 . . 1 134 Ser HN 1 134 Ser Ca . 16583 2 124 2JHNCA . 1 1 136 136 LYS H H 1 1 . 1 1 136 136 LYS CA C 13 1 1.18 . . 0.50 . . 1 136 Lys HN 1 136 Lys Ca . 16583 2 125 2JHNCA . 1 1 137 137 GLY H H 1 1 . 1 1 137 137 GLY CA C 13 1 1.71 . . 0.50 . . 1 137 Gly HN 1 137 Gly Ca . 16583 2 126 2JHNCA . 1 1 138 138 ILE H H 1 1 . 1 1 138 138 ILE CA C 13 1 2.36 . . 0.50 . . 1 138 Ile HN 1 138 Ile Ca . 16583 2 127 2JHNCA . 1 1 139 139 ALA H H 1 1 . 1 1 139 139 ALA CA C 13 1 1.04 . . 0.50 . . 1 139 Ala HN 1 139 Ala Ca . 16583 2 128 2JHNCA . 1 1 140 140 THR H H 1 1 . 1 1 140 140 THR CA C 13 1 0.81 . . 0.50 . . 1 140 Thr HN 1 140 Thr Ca . 16583 2 129 2JHNCA . 1 1 141 141 PHE H H 1 1 . 1 1 141 141 PHE CA C 13 1 1.93 . . 0.50 . . 1 141 Phe HN 1 141 Phe Ca . 16583 2 130 2JHNCA . 1 1 142 142 LYS H H 1 1 . 1 1 142 142 LYS CA C 13 1 0.96 . . 0.50 . . 1 142 Lys HN 1 142 Lys Ca . 16583 2 131 2JHNCA . 1 1 143 143 GLN H H 1 1 . 1 1 143 143 GLN CA C 13 1 2.45 . . 0.50 . . 1 143 Gln HN 1 143 Gln Ca . 16583 2 132 2JHNCA . 1 1 144 144 TYR H H 1 1 . 1 1 144 144 TYR CA C 13 1 2.21 . . 0.50 . . 1 144 Tyr HN 1 144 Tyr Ca . 16583 2 133 2JHNCA . 1 1 145 145 TRP H H 1 1 . 1 1 145 145 TRP CA C 13 1 1.76 . . 0.50 . . 1 145 Trp HN 1 145 Trp Ca . 16583 2 134 2JHNCA . 1 1 146 146 SER H H 1 1 . 1 1 146 146 SER CA C 13 1 1.30 . . 0.50 . . 1 146 Ser HN 1 146 Ser Ca . 16583 2 135 2JHNCA . 1 1 147 147 VAL H H 1 1 . 1 1 147 147 VAL CA C 13 1 2.32 . . 0.50 . . 1 147 Val HN 1 147 Val Ca . 16583 2 136 2JHNCA . 1 1 148 148 ARG H H 1 1 . 1 1 148 148 ARG CA C 13 1 2.12 . . 0.50 . . 1 148 Arg HN 1 148 Arg Ca . 16583 2 137 2JHNCA . 1 1 149 149 ARG H H 1 1 . 1 1 149 149 ARG CA C 13 1 1.25 . . 0.50 . . 1 149 Arg HN 1 149 Arg Ca . 16583 2 138 2JHNCA . 1 1 152 152 ARG H H 1 1 . 1 1 152 152 ARG CA C 13 1 2.23 . . 0.50 . . 1 152 Arg HN 1 152 Arg Ca . 16583 2 139 2JHNCA . 1 1 153 153 THR H H 1 1 . 1 1 153 153 THR CA C 13 1 1.93 . . 0.50 . . 1 153 Thr HN 1 153 Thr Ca . 16583 2 140 2JHNCA . 1 1 154 154 SER H H 1 1 . 1 1 154 154 SER CA C 13 1 1.41 . . 0.50 . . 1 154 Ser HN 1 154 Ser Ca . 16583 2 141 2JHNCA . 1 1 155 155 GLY H H 1 1 . 1 1 155 155 GLY CA C 13 1 1.81 . . 0.50 . . 1 155 Gly HN 1 155 Gly Ca . 16583 2 142 2JHNCA . 1 1 156 156 THR H H 1 1 . 1 1 156 156 THR CA C 13 1 1.32 . . 0.50 . . 1 156 Thr HN 1 156 Thr Ca . 16583 2 143 2JHNCA . 1 1 157 157 ILE H H 1 1 . 1 1 157 157 ILE CA C 13 1 0.73 . . 0.50 . . 1 157 Ile HN 1 157 Ile Ca . 16583 2 144 2JHNCA . 1 1 158 158 SER H H 1 1 . 1 1 158 158 SER CA C 13 1 3.73 . . 0.50 . . 1 158 Ser HN 1 158 Ser Ca . 16583 2 145 2JHNCA . 1 1 159 159 VAL H H 1 1 . 1 1 159 159 VAL CA C 13 1 3.77 . . 0.50 . . 1 159 Val HN 1 159 Val Ca . 16583 2 146 2JHNCA . 1 1 160 160 SER H H 1 1 . 1 1 160 160 SER CA C 13 1 3.36 . . 0.50 . . 1 160 Ser HN 1 160 Ser Ca . 16583 2 147 2JHNCA . 1 1 161 161 ASN H H 1 1 . 1 1 161 161 ASN CA C 13 1 1.51 . . 0.50 . . 1 161 Asn HN 1 161 Asn Ca . 16583 2 148 2JHNCA . 1 1 162 162 HIS H H 1 1 . 1 1 162 162 HIS CA C 13 1 3.18 . . 0.50 . . 1 162 His HN 1 162 His Ca . 16583 2 149 2JHNCA . 1 1 163 163 PHE H H 1 1 . 1 1 163 163 PHE CA C 13 1 3.47 . . 0.50 . . 1 163 Phe HN 1 163 Phe Ca . 16583 2 150 2JHNCA . 1 1 164 164 ARG H H 1 1 . 1 1 164 164 ARG CA C 13 1 3.64 . . 0.50 . . 1 164 Arg HN 1 164 Arg Ca . 16583 2 151 2JHNCA . 1 1 165 165 ALA H H 1 1 . 1 1 165 165 ALA CA C 13 1 2.55 . . 0.50 . . 1 165 Ala HN 1 165 Ala Ca . 16583 2 152 2JHNCA . 1 1 166 166 TRP H H 1 1 . 1 1 166 166 TRP CA C 13 1 2.16 . . 0.50 . . 1 166 Trp HN 1 166 Trp Ca . 16583 2 153 2JHNCA . 1 1 167 167 GLU H H 1 1 . 1 1 167 167 GLU CA C 13 1 4.76 . . 0.50 . . 1 167 Glu HN 1 167 Glu Ca . 16583 2 154 2JHNCA . 1 1 168 168 ASN H H 1 1 . 1 1 168 168 ASN CA C 13 1 2.69 . . 0.50 . . 1 168 Asn HN 1 168 Asn Ca . 16583 2 155 2JHNCA . 1 1 169 169 LEU H H 1 1 . 1 1 169 169 LEU CA C 13 1 2.31 . . 0.50 . . 1 169 Leu HN 1 169 Leu Ca . 16583 2 156 2JHNCA . 1 1 170 170 GLY H H 1 1 . 1 1 170 170 GLY CA C 13 1 2.16 . . 0.50 . . 1 170 Gly HN 1 170 Gly Ca . 16583 2 157 2JHNCA . 1 1 171 171 MET H H 1 1 . 1 1 171 171 MET CA C 13 1 1.35 . . 0.50 . . 1 171 Met HN 1 171 Met Ca . 16583 2 158 2JHNCA . 1 1 172 172 ASN H H 1 1 . 1 1 172 172 ASN CA C 13 1 2.27 . . 0.50 . . 1 172 Asn HN 1 172 Asn Ca . 16583 2 159 2JHNCA . 1 1 173 173 MET H H 1 1 . 1 1 173 173 MET CA C 13 1 2.71 . . 0.50 . . 1 173 Met HN 1 173 Met Ca . 16583 2 160 2JHNCA . 1 1 174 174 GLY H H 1 1 . 1 1 174 174 GLY CA C 13 1 2.37 . . 0.50 . . 1 174 Gly HN 1 174 Gly Ca . 16583 2 161 2JHNCA . 1 1 175 175 LYS H H 1 1 . 1 1 175 175 LYS CA C 13 1 1.98 . . 0.50 . . 1 175 Lys HN 1 175 Lys Ca . 16583 2 162 2JHNCA . 1 1 176 176 MET H H 1 1 . 1 1 176 176 MET CA C 13 1 4.40 . . 0.50 . . 1 176 Met HN 1 176 Met Ca . 16583 2 163 2JHNCA . 1 1 177 177 TYR H H 1 1 . 1 1 177 177 TYR CA C 13 1 1.04 . . 0.50 . . 1 177 Tyr HN 1 177 Tyr Ca . 16583 2 164 2JHNCA . 1 1 178 178 GLU H H 1 1 . 1 1 178 178 GLU CA C 13 1 0.88 . . 0.50 . . 1 178 Glu HN 1 178 Glu Ca . 16583 2 165 2JHNCA . 1 1 179 179 VAL H H 1 1 . 1 1 179 179 VAL CA C 13 1 1.35 . . 0.50 . . 1 179 Val HN 1 179 Val Ca . 16583 2 166 2JHNCA . 1 1 180 180 ALA H H 1 1 . 1 1 180 180 ALA CA C 13 1 2.59 . . 0.50 . . 1 180 Ala HN 1 180 Ala Ca . 16583 2 167 2JHNCA . 1 1 181 181 LEU H H 1 1 . 1 1 181 181 LEU CA C 13 1 1.18 . . 0.50 . . 1 181 Leu HN 1 181 Leu Ca . 16583 2 168 2JHNCA . 1 1 182 182 THR H H 1 1 . 1 1 182 182 THR CA C 13 1 0.16 . . 0.50 . . 1 182 Thr HN 1 182 Thr Ca . 16583 2 169 2JHNCA . 1 1 183 183 VAL H H 1 1 . 1 1 183 183 VAL CA C 13 1 1.22 . . 0.50 . . 1 183 Val HN 1 183 Val Ca . 16583 2 170 2JHNCA . 1 1 184 184 GLU H H 1 1 . 1 1 184 184 GLU CA C 13 1 1.61 . . 0.50 . . 1 184 Glu HN 1 184 Glu Ca . 16583 2 171 2JHNCA . 1 1 185 185 GLY H H 1 1 . 1 1 185 185 GLY CA C 13 1 1.57 . . 0.50 . . 1 185 Gly HN 1 185 Gly Ca . 16583 2 172 2JHNCA . 1 1 186 186 TYR H H 1 1 . 1 1 186 186 TYR CA C 13 1 0.90 . . 0.50 . . 1 186 Tyr HN 1 186 Tyr Ca . 16583 2 173 2JHNCA . 1 1 187 187 GLN H H 1 1 . 1 1 187 187 GLN CA C 13 1 4.03 . . 0.50 . . 1 187 Gln HN 1 187 Gln Ca . 16583 2 174 2JHNCA . 1 1 188 188 SER H H 1 1 . 1 1 188 188 SER CA C 13 1 2.21 . . 0.50 . . 1 188 Ser HN 1 188 Ser Ca . 16583 2 175 2JHNCA . 1 1 189 189 SER H H 1 1 . 1 1 189 189 SER CA C 13 1 0.99 . . 0.50 . . 1 189 Ser HN 1 189 Ser Ca . 16583 2 176 2JHNCA . 1 1 190 190 GLY H H 1 1 . 1 1 190 190 GLY CA C 13 1 2.85 . . 0.50 . . 1 190 Gly HN 1 190 Gly Ca . 16583 2 177 2JHNCA . 1 1 191 191 SER H H 1 1 . 1 1 191 191 SER CA C 13 1 2.64 . . 0.50 . . 1 191 Ser HN 1 191 Ser Ca . 16583 2 178 2JHNCA . 1 1 192 192 ALA H H 1 1 . 1 1 192 192 ALA CA C 13 1 3.45 . . 0.50 . . 1 192 Ala HN 1 192 Ala Ca . 16583 2 179 2JHNCA . 1 1 193 193 ASN H H 1 1 . 1 1 193 193 ASN CA C 13 1 0.75 . . 0.50 . . 1 193 Asn HN 1 193 Asn Ca . 16583 2 180 2JHNCA . 1 1 194 194 VAL H H 1 1 . 1 1 194 194 VAL CA C 13 1 1.73 . . 0.50 . . 1 194 Val HN 1 194 Val Ca . 16583 2 181 2JHNCA . 1 1 195 195 TYR H H 1 1 . 1 1 195 195 TYR CA C 13 1 3.53 . . 0.50 . . 1 195 Tyr HN 1 195 Tyr Ca . 16583 2 182 2JHNCA . 1 1 196 196 SER H H 1 1 . 1 1 196 196 SER CA C 13 1 2.03 . . 0.50 . . 1 196 Ser HN 1 196 Ser Ca . 16583 2 183 2JHNCA . 1 1 197 197 ASN H H 1 1 . 1 1 197 197 ASN CA C 13 1 2.62 . . 0.50 . . 1 197 Asn HN 1 197 Asn Ca . 16583 2 184 2JHNCA . 1 1 198 198 THR H H 1 1 . 1 1 198 198 THR CA C 13 1 1.95 . . 0.50 . . 1 198 Thr HN 1 198 Thr Ca . 16583 2 185 2JHNCA . 1 1 199 199 LEU H H 1 1 . 1 1 199 199 LEU CA C 13 1 3.99 . . 0.50 . . 1 199 Leu HN 1 199 Leu Ca . 16583 2 186 2JHNCA . 1 1 200 200 ARG H H 1 1 . 1 1 200 200 ARG CA C 13 1 1.67 . . 0.50 . . 1 200 Arg HN 1 200 Arg Ca . 16583 2 187 2JHNCA . 1 1 201 201 ILE H H 1 1 . 1 1 201 201 ILE CA C 13 1 2.33 . . 0.50 . . 1 201 Ile HN 1 201 Ile Ca . 16583 2 188 2JHNCA . 1 1 202 202 ASN H H 1 1 . 1 1 202 202 ASN CA C 13 1 3.79 . . 0.50 . . 1 202 Asn HN 1 202 Asn Ca . 16583 2 189 2JHNCA . 1 1 203 203 GLY H H 1 1 . 1 1 203 203 GLY CA C 13 1 2.43 . . 0.50 . . 1 203 Gly HN 1 203 Gly Ca . 16583 2 190 2JHNCA . 1 1 204 204 ASN H H 1 1 . 1 1 204 204 ASN CA C 13 1 1.50 . . 0.50 . . 1 204 Asn HN 1 204 Asn Ca . 16583 2 191 2JHNCA . 1 1 206 206 LEU H H 1 1 . 1 1 206 206 LEU CA C 13 1 4.06 . . 0.50 . . 1 206 Leu HN 1 206 Leu Ca . 16583 2 192 2JHNCA . 1 1 207 207 SER H H 1 1 . 1 1 207 207 SER CA C 13 1 2.81 . . 0.50 . . 1 207 Ser HN 1 207 Ser Ca . 16583 2 stop_ save_ save_2JCOHN _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 2JCOHN _Coupling_constant_list.Entry_ID 16583 _Coupling_constant_list.ID 3 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 950 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 3 '2D IPAP-type HN(a/b-NCO-J)-TROSY' . . . 16583 3 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 2JCOHN . 1 1 1 1 MET C C 13 1 . 1 1 2 2 ILE H H 1 1 4.16 . . 0.50 . . 1 1 Met C 1 2 Ile HN . 16583 3 2 2JCOHN . 1 1 2 2 ILE C C 13 1 . 1 1 3 3 VAL H H 1 1 4.32 . . 0.50 . . 1 2 Ile C 1 3 Val HN . 16583 3 3 2JCOHN . 1 1 3 3 VAL C C 13 1 . 1 1 4 4 THR H H 1 1 3.90 . . 0.50 . . 1 3 Val C 1 4 Thr HN . 16583 3 4 2JCOHN . 1 1 4 4 THR C C 13 1 . 1 1 5 5 ASP H H 1 1 4.46 . . 0.50 . . 1 4 Thr C 1 5 Asp HN . 16583 3 5 2JCOHN . 1 1 5 5 ASP C C 13 1 . 1 1 6 6 ASN H H 1 1 3.26 . . 0.50 . . 1 5 Asp C 1 6 Asn HN . 16583 3 6 2JCOHN . 1 1 6 6 ASN C C 13 1 . 1 1 7 7 SER H H 1 1 4.08 . . 0.50 . . 1 6 Asn C 1 7 Ser HN . 16583 3 7 2JCOHN . 1 1 7 7 SER C C 13 1 . 1 1 8 8 ILE H H 1 1 3.69 . . 0.50 . . 1 7 Ser C 1 8 Ile HN . 16583 3 8 2JCOHN . 1 1 8 8 ILE C C 13 1 . 1 1 9 9 GLY H H 1 1 4.62 . . 0.50 . . 1 8 Ile C 1 9 Gly HN . 16583 3 9 2JCOHN . 1 1 9 9 GLY C C 13 1 . 1 1 10 10 ASN H H 1 1 3.70 . . 0.50 . . 1 9 Gly C 1 10 Asn HN . 16583 3 10 2JCOHN . 1 1 10 10 ASN C C 13 1 . 1 1 11 11 HIS H H 1 1 3.78 . . 0.50 . . 1 10 Asn C 1 11 His HN . 16583 3 11 2JCOHN . 1 1 11 11 HIS C C 13 1 . 1 1 12 12 ASP H H 1 1 4.48 . . 0.50 . . 1 11 His C 1 12 Asp HN . 16583 3 12 2JCOHN . 1 1 12 12 ASP C C 13 1 . 1 1 13 13 GLY H H 1 1 4.79 . . 0.50 . . 1 12 Asp C 1 13 Gly HN . 16583 3 13 2JCOHN . 1 1 13 13 GLY C C 13 1 . 1 1 14 14 TYR H H 1 1 4.53 . . 0.50 . . 1 13 Gly C 1 14 Tyr HN . 16583 3 14 2JCOHN . 1 1 14 14 TYR C C 13 1 . 1 1 15 15 ASP H H 1 1 3.65 . . 0.50 . . 1 14 Tyr C 1 15 Asp HN . 16583 3 15 2JCOHN . 1 1 15 15 ASP C C 13 1 . 1 1 16 16 TYR H H 1 1 3.88 . . 0.50 . . 1 15 Asp C 1 16 Tyr HN . 16583 3 16 2JCOHN . 1 1 16 16 TYR C C 13 1 . 1 1 17 17 GLU H H 1 1 4.09 . . 0.50 . . 1 16 Tyr C 1 17 Glu HN . 16583 3 17 2JCOHN . 1 1 17 17 GLU C C 13 1 . 1 1 18 18 PHE H H 1 1 4.25 . . 0.50 . . 1 17 Glu C 1 18 Phe HN . 16583 3 18 2JCOHN . 1 1 18 18 PHE C C 13 1 . 1 1 19 19 TRP H H 1 1 4.20 . . 0.50 . . 1 18 Phe C 1 19 Trp HN . 16583 3 19 2JCOHN . 1 1 19 19 TRP C C 13 1 . 1 1 20 20 LYS H H 1 1 3.36 . . 0.50 . . 1 19 Trp C 1 20 Lys HN . 16583 3 20 2JCOHN . 1 1 20 20 LYS C C 13 1 . 1 1 21 21 ASP H H 1 1 4.25 . . 0.50 . . 1 20 Lys C 1 21 Asp HN . 16583 3 21 2JCOHN . 1 1 21 21 ASP C C 13 1 . 1 1 22 22 SER H H 1 1 4.50 . . 0.50 . . 1 21 Asp C 1 22 Ser HN . 16583 3 22 2JCOHN . 1 1 22 22 SER C C 13 1 . 1 1 23 23 GLY H H 1 1 4.43 . . 0.50 . . 1 22 Ser C 1 23 Gly HN . 16583 3 23 2JCOHN . 1 1 23 23 GLY C C 13 1 . 1 1 24 24 GLY H H 1 1 5.09 . . 0.50 . . 1 23 Gly C 1 24 Gly HN . 16583 3 24 2JCOHN . 1 1 24 24 GLY C C 13 1 . 1 1 25 25 SER H H 1 1 4.16 . . 0.50 . . 1 24 Gly C 1 25 Ser HN . 16583 3 25 2JCOHN . 1 1 25 25 SER C C 13 1 . 1 1 26 26 GLY H H 1 1 4.03 . . 0.50 . . 1 25 Ser C 1 26 Gly HN . 16583 3 26 2JCOHN . 1 1 26 26 GLY C C 13 1 . 1 1 27 27 THR H H 1 1 3.81 . . 0.50 . . 1 26 Gly C 1 27 Thr HN . 16583 3 27 2JCOHN . 1 1 27 27 THR C C 13 1 . 1 1 28 28 MET H H 1 1 3.95 . . 0.50 . . 1 27 Thr C 1 28 Met HN . 16583 3 28 2JCOHN . 1 1 28 28 MET C C 13 1 . 1 1 29 29 ILE H H 1 1 3.88 . . 0.50 . . 1 28 Met C 1 29 Ile HN . 16583 3 29 2JCOHN . 1 1 29 29 ILE C C 13 1 . 1 1 30 30 LEU H H 1 1 3.79 . . 0.50 . . 1 29 Ile C 1 30 Leu HN . 16583 3 30 2JCOHN . 1 1 30 30 LEU C C 13 1 . 1 1 31 31 ASN H H 1 1 4.64 . . 0.50 . . 1 30 Leu C 1 31 Asn HN . 16583 3 31 2JCOHN . 1 1 31 31 ASN C C 13 1 . 1 1 32 32 HIS H H 1 1 3.59 . . 0.50 . . 1 31 Asn C 1 32 His HN . 16583 3 32 2JCOHN . 1 1 32 32 HIS C C 13 1 . 1 1 33 33 GLY H H 1 1 4.39 . . 0.50 . . 1 32 His C 1 33 Gly HN . 16583 3 33 2JCOHN . 1 1 33 33 GLY C C 13 1 . 1 1 34 34 GLY H H 1 1 4.27 . . 0.50 . . 1 33 Gly C 1 34 Gly HN . 16583 3 34 2JCOHN . 1 1 34 34 GLY C C 13 1 . 1 1 35 35 THR H H 1 1 3.73 . . 0.50 . . 1 34 Gly C 1 35 Thr HN . 16583 3 35 2JCOHN . 1 1 35 35 THR C C 13 1 . 1 1 36 36 PHE H H 1 1 4.30 . . 0.50 . . 1 35 Thr C 1 36 Phe HN . 16583 3 36 2JCOHN . 1 1 36 36 PHE C C 13 1 . 1 1 37 37 SER H H 1 1 3.47 . . 0.50 . . 1 36 Phe C 1 37 Ser HN . 16583 3 37 2JCOHN . 1 1 37 37 SER C C 13 1 . 1 1 38 38 ALA H H 1 1 3.93 . . 0.50 . . 1 37 Ser C 1 38 Ala HN . 16583 3 38 2JCOHN . 1 1 38 38 ALA C C 13 1 . 1 1 39 39 GLN H H 1 1 4.35 . . 0.50 . . 1 38 Ala C 1 39 Gln HN . 16583 3 39 2JCOHN . 1 1 39 39 GLN C C 13 1 . 1 1 40 40 TRP H H 1 1 4.47 . . 0.50 . . 1 39 Gln C 1 40 Trp HN . 16583 3 40 2JCOHN . 1 1 40 40 TRP C C 13 1 . 1 1 41 41 ASN H H 1 1 4.06 . . 0.50 . . 1 40 Trp C 1 41 Asn HN . 16583 3 41 2JCOHN . 1 1 41 41 ASN C C 13 1 . 1 1 42 42 ASN H H 1 1 3.61 . . 0.50 . . 1 41 Asn C 1 42 Asn HN . 16583 3 42 2JCOHN . 1 1 42 42 ASN C C 13 1 . 1 1 43 43 VAL H H 1 1 3.51 . . 0.50 . . 1 42 Asn C 1 43 Val HN . 16583 3 43 2JCOHN . 1 1 43 43 VAL C C 13 1 . 1 1 44 44 ASN H H 1 1 3.85 . . 0.50 . . 1 43 Val C 1 44 Asn HN . 16583 3 44 2JCOHN . 1 1 44 44 ASN C C 13 1 . 1 1 45 45 ASN H H 1 1 4.23 . . 0.50 . . 1 44 Asn C 1 45 Asn HN . 16583 3 45 2JCOHN . 1 1 45 45 ASN C C 13 1 . 1 1 46 46 ILE H H 1 1 4.55 . . 0.50 . . 1 45 Asn C 1 46 Ile HN . 16583 3 46 2JCOHN . 1 1 46 46 ILE C C 13 1 . 1 1 47 47 LEU H H 1 1 4.37 . . 0.50 . . 1 46 Ile C 1 47 Leu HN . 16583 3 47 2JCOHN . 1 1 47 47 LEU C C 13 1 . 1 1 48 48 PHE H H 1 1 3.81 . . 0.50 . . 1 47 Leu C 1 48 Phe HN . 16583 3 48 2JCOHN . 1 1 49 49 ARG C C 13 1 . 1 1 50 50 LYS H H 1 1 3.89 . . 0.50 . . 1 49 Arg C 1 50 Lys HN . 16583 3 49 2JCOHN . 1 1 50 50 LYS C C 13 1 . 1 1 51 51 GLY H H 1 1 3.90 . . 0.50 . . 1 50 Lys C 1 51 Gly HN . 16583 3 50 2JCOHN . 1 1 51 51 GLY C C 13 1 . 1 1 52 52 LYS H H 1 1 3.72 . . 0.50 . . 1 51 Gly C 1 52 Lys HN . 16583 3 51 2JCOHN . 1 1 52 52 LYS C C 13 1 . 1 1 53 53 LYS H H 1 1 3.68 . . 0.50 . . 1 52 Lys C 1 53 Lys HN . 16583 3 52 2JCOHN . 1 1 53 53 LYS C C 13 1 . 1 1 54 54 PHE H H 1 1 3.41 . . 0.50 . . 1 53 Lys C 1 54 Phe HN . 16583 3 53 2JCOHN . 1 1 54 54 PHE C C 13 1 . 1 1 55 55 ASN H H 1 1 4.04 . . 0.50 . . 1 54 Phe C 1 55 Asn HN . 16583 3 54 2JCOHN . 1 1 55 55 ASN C C 13 1 . 1 1 56 56 GLU H H 1 1 3.79 . . 0.50 . . 1 55 Asn C 1 56 Glu HN . 16583 3 55 2JCOHN . 1 1 56 56 GLU C C 13 1 . 1 1 57 57 THR H H 1 1 3.14 . . 0.50 . . 1 56 Glu C 1 57 Thr HN . 16583 3 56 2JCOHN . 1 1 57 57 THR C C 13 1 . 1 1 58 58 GLN H H 1 1 4.89 . . 0.50 . . 1 57 Thr C 1 58 Gln HN . 16583 3 57 2JCOHN . 1 1 58 58 GLN C C 13 1 . 1 1 59 59 THR H H 1 1 3.72 . . 0.50 . . 1 58 Gln C 1 59 Thr HN . 16583 3 58 2JCOHN . 1 1 59 59 THR C C 13 1 . 1 1 60 60 HIS H H 1 1 3.91 . . 0.50 . . 1 59 Thr C 1 60 His HN . 16583 3 59 2JCOHN . 1 1 60 60 HIS C C 13 1 . 1 1 61 61 GLN H H 1 1 4.59 . . 0.50 . . 1 60 His C 1 61 Gln HN . 16583 3 60 2JCOHN . 1 1 61 61 GLN C C 13 1 . 1 1 62 62 GLN H H 1 1 4.08 . . 0.50 . . 1 61 Gln C 1 62 Gln HN . 16583 3 61 2JCOHN . 1 1 62 62 GLN C C 13 1 . 1 1 63 63 VAL H H 1 1 3.96 . . 0.50 . . 1 62 Gln C 1 63 Val HN . 16583 3 62 2JCOHN . 1 1 63 63 VAL C C 13 1 . 1 1 64 64 GLY H H 1 1 4.00 . . 0.50 . . 1 63 Val C 1 64 Gly HN . 16583 3 63 2JCOHN . 1 1 64 64 GLY C C 13 1 . 1 1 65 65 ASN H H 1 1 3.92 . . 0.50 . . 1 64 Gly C 1 65 Asn HN . 16583 3 64 2JCOHN . 1 1 65 65 ASN C C 13 1 . 1 1 66 66 MET H H 1 1 3.96 . . 0.50 . . 1 65 Asn C 1 66 Met HN . 16583 3 65 2JCOHN . 1 1 66 66 MET C C 13 1 . 1 1 67 67 SER H H 1 1 4.66 . . 0.50 . . 1 66 Met C 1 67 Ser HN . 16583 3 66 2JCOHN . 1 1 67 67 SER C C 13 1 . 1 1 68 68 ILE H H 1 1 4.28 . . 0.50 . . 1 67 Ser C 1 68 Ile HN . 16583 3 67 2JCOHN . 1 1 68 68 ILE C C 13 1 . 1 1 69 69 ASN H H 1 1 3.97 . . 0.50 . . 1 68 Ile C 1 69 Asn HN . 16583 3 68 2JCOHN . 1 1 69 69 ASN C C 13 1 . 1 1 70 70 TYR H H 1 1 4.24 . . 0.50 . . 1 69 Asn C 1 70 Tyr HN . 16583 3 69 2JCOHN . 1 1 70 70 TYR C C 13 1 . 1 1 71 71 GLY H H 1 1 4.04 . . 0.50 . . 1 70 Tyr C 1 71 Gly HN . 16583 3 70 2JCOHN . 1 1 71 71 GLY C C 13 1 . 1 1 72 72 ALA H H 1 1 3.94 . . 0.50 . . 1 71 Gly C 1 72 Ala HN . 16583 3 71 2JCOHN . 1 1 72 72 ALA C C 13 1 . 1 1 73 73 ASN H H 1 1 3.09 . . 0.50 . . 1 72 Ala C 1 73 Asn HN . 16583 3 72 2JCOHN . 1 1 73 73 ASN C C 13 1 . 1 1 74 74 PHE H H 1 1 3.74 . . 0.50 . . 1 73 Asn C 1 74 Phe HN . 16583 3 73 2JCOHN . 1 1 74 74 PHE C C 13 1 . 1 1 75 75 GLN H H 1 1 4.54 . . 0.50 . . 1 74 Phe C 1 75 Gln HN . 16583 3 74 2JCOHN . 1 1 76 76 PRO C C 13 1 . 1 1 77 77 ASN H H 1 1 4.71 . . 0.50 . . 1 76 Pro C 1 77 Asn HN . 16583 3 75 2JCOHN . 1 1 77 77 ASN C C 13 1 . 1 1 78 78 GLY H H 1 1 4.34 . . 0.50 . . 1 77 Asn C 1 78 Gly HN . 16583 3 76 2JCOHN . 1 1 78 78 GLY C C 13 1 . 1 1 79 79 ASN H H 1 1 3.81 . . 0.50 . . 1 78 Gly C 1 79 Asn HN . 16583 3 77 2JCOHN . 1 1 79 79 ASN C C 13 1 . 1 1 80 80 ALA H H 1 1 4.92 . . 0.50 . . 1 79 Asn C 1 80 Ala HN . 16583 3 78 2JCOHN . 1 1 80 80 ALA C C 13 1 . 1 1 81 81 TYR H H 1 1 3.46 . . 0.50 . . 1 80 Ala C 1 81 Tyr HN . 16583 3 79 2JCOHN . 1 1 81 81 TYR C C 13 1 . 1 1 82 82 LEU H H 1 1 4.43 . . 0.50 . . 1 81 Tyr C 1 82 Leu HN . 16583 3 80 2JCOHN . 1 1 82 82 LEU C C 13 1 . 1 1 83 83 CYS H H 1 1 4.48 . . 0.50 . . 1 82 Leu C 1 83 Cys HN . 16583 3 81 2JCOHN . 1 1 83 83 CYS C C 13 1 . 1 1 84 84 VAL H H 1 1 2.55 . . 0.50 . . 1 83 Cys C 1 84 Val HN . 16583 3 82 2JCOHN . 1 1 84 84 VAL C C 13 1 . 1 1 85 85 TYR H H 1 1 3.93 . . 0.50 . . 1 84 Val C 1 85 Tyr HN . 16583 3 83 2JCOHN . 1 1 85 85 TYR C C 13 1 . 1 1 86 86 GLY H H 1 1 4.49 . . 0.50 . . 1 85 Tyr C 1 86 Gly HN . 16583 3 84 2JCOHN . 1 1 86 86 GLY C C 13 1 . 1 1 87 87 TRP H H 1 1 4.49 . . 0.50 . . 1 86 Gly C 1 87 Trp HN . 16583 3 85 2JCOHN . 1 1 87 87 TRP C C 13 1 . 1 1 88 88 THR H H 1 1 3.23 . . 0.50 . . 1 87 Trp C 1 88 Thr HN . 16583 3 86 2JCOHN . 1 1 88 88 THR C C 13 1 . 1 1 89 89 VAL H H 1 1 3.71 . . 0.50 . . 1 88 Thr C 1 89 Val HN . 16583 3 87 2JCOHN . 1 1 89 89 VAL C C 13 1 . 1 1 90 90 ASP H H 1 1 5.18 . . 0.50 . . 1 89 Val C 1 90 Asp HN . 16583 3 88 2JCOHN . 1 1 91 91 PRO C C 13 1 . 1 1 92 92 LEU H H 1 1 4.62 . . 0.50 . . 1 91 Pro C 1 92 Leu HN . 16583 3 89 2JCOHN . 1 1 92 92 LEU C C 13 1 . 1 1 93 93 VAL H H 1 1 4.19 . . 0.50 . . 1 92 Leu C 1 93 Val HN . 16583 3 90 2JCOHN . 1 1 93 93 VAL C C 13 1 . 1 1 94 94 GLU H H 1 1 3.57 . . 0.50 . . 1 93 Val C 1 94 Glu HN . 16583 3 91 2JCOHN . 1 1 94 94 GLU C C 13 1 . 1 1 95 95 TYR H H 1 1 4.71 . . 0.50 . . 1 94 Glu C 1 95 Tyr HN . 16583 3 92 2JCOHN . 1 1 95 95 TYR C C 13 1 . 1 1 96 96 TYR H H 1 1 2.61 . . 0.50 . . 1 95 Tyr C 1 96 Tyr HN . 16583 3 93 2JCOHN . 1 1 96 96 TYR C C 13 1 . 1 1 97 97 ILE H H 1 1 3.89 . . 0.50 . . 1 96 Tyr C 1 97 Ile HN . 16583 3 94 2JCOHN . 1 1 97 97 ILE C C 13 1 . 1 1 98 98 VAL H H 1 1 3.22 . . 0.50 . . 1 97 Ile C 1 98 Val HN . 16583 3 95 2JCOHN . 1 1 98 98 VAL C C 13 1 . 1 1 99 99 ASP H H 1 1 4.28 . . 0.50 . . 1 98 Val C 1 99 Asp HN . 16583 3 96 2JCOHN . 1 1 99 99 ASP C C 13 1 . 1 1 100 100 SER H H 1 1 4.79 . . 0.50 . . 1 99 Asp C 1 100 Ser HN . 16583 3 97 2JCOHN . 1 1 100 100 SER C C 13 1 . 1 1 101 101 TRP H H 1 1 3.95 . . 0.50 . . 1 100 Ser C 1 101 Trp HN . 16583 3 98 2JCOHN . 1 1 101 101 TRP C C 13 1 . 1 1 102 102 GLY H H 1 1 4.32 . . 0.50 . . 1 101 Trp C 1 102 Gly HN . 16583 3 99 2JCOHN . 1 1 102 102 GLY C C 13 1 . 1 1 103 103 ASN H H 1 1 4.33 . . 0.50 . . 1 102 Gly C 1 103 Asn HN . 16583 3 100 2JCOHN . 1 1 103 103 ASN C C 13 1 . 1 1 104 104 TRP H H 1 1 3.61 . . 0.50 . . 1 103 Asn C 1 104 Trp HN . 16583 3 101 2JCOHN . 1 1 104 104 TRP C C 13 1 . 1 1 105 105 ARG H H 1 1 4.02 . . 0.50 . . 1 104 Trp C 1 105 Arg HN . 16583 3 102 2JCOHN . 1 1 107 107 PRO C C 13 1 . 1 1 108 108 GLY H H 1 1 4.99 . . 0.50 . . 1 107 Pro C 1 108 Gly HN . 16583 3 103 2JCOHN . 1 1 108 108 GLY C C 13 1 . 1 1 109 109 ALA H H 1 1 3.80 . . 0.50 . . 1 108 Gly C 1 109 Ala HN . 16583 3 104 2JCOHN . 1 1 109 109 ALA C C 13 1 . 1 1 110 110 THR H H 1 1 4.68 . . 0.50 . . 1 109 Ala C 1 110 Thr HN . 16583 3 105 2JCOHN . 1 1 111 111 PRO C C 13 1 . 1 1 112 112 LYS H H 1 1 3.20 . . 0.50 . . 1 111 Pro C 1 112 Lys HN . 16583 3 106 2JCOHN . 1 1 112 112 LYS C C 13 1 . 1 1 113 113 GLY H H 1 1 4.87 . . 0.50 . . 1 112 Lys C 1 113 Gly HN . 16583 3 107 2JCOHN . 1 1 113 113 GLY C C 13 1 . 1 1 114 114 THR H H 1 1 4.00 . . 0.50 . . 1 113 Gly C 1 114 Thr HN . 16583 3 108 2JCOHN . 1 1 114 114 THR C C 13 1 . 1 1 115 115 ILE H H 1 1 4.38 . . 0.50 . . 1 114 Thr C 1 115 Ile HN . 16583 3 109 2JCOHN . 1 1 115 115 ILE C C 13 1 . 1 1 116 116 THR H H 1 1 3.42 . . 0.50 . . 1 115 Ile C 1 116 Thr HN . 16583 3 110 2JCOHN . 1 1 116 116 THR C C 13 1 . 1 1 117 117 VAL H H 1 1 4.67 . . 0.50 . . 1 116 Thr C 1 117 Val HN . 16583 3 111 2JCOHN . 1 1 117 117 VAL C C 13 1 . 1 1 118 118 ASP H H 1 1 4.60 . . 0.50 . . 1 117 Val C 1 118 Asp HN . 16583 3 112 2JCOHN . 1 1 118 118 ASP C C 13 1 . 1 1 119 119 GLY H H 1 1 4.89 . . 0.50 . . 1 118 Asp C 1 119 Gly HN . 16583 3 113 2JCOHN . 1 1 119 119 GLY C C 13 1 . 1 1 120 120 GLY H H 1 1 4.71 . . 0.50 . . 1 119 Gly C 1 120 Gly HN . 16583 3 114 2JCOHN . 1 1 120 120 GLY C C 13 1 . 1 1 121 121 THR H H 1 1 4.44 . . 0.50 . . 1 120 Gly C 1 121 Thr HN . 16583 3 115 2JCOHN . 1 1 121 121 THR C C 13 1 . 1 1 122 122 TYR H H 1 1 4.55 . . 0.50 . . 1 121 Thr C 1 122 Tyr HN . 16583 3 116 2JCOHN . 1 1 122 122 TYR C C 13 1 . 1 1 123 123 ASP H H 1 1 3.46 . . 0.50 . . 1 122 Tyr C 1 123 Asp HN . 16583 3 117 2JCOHN . 1 1 123 123 ASP C C 13 1 . 1 1 124 124 ILE H H 1 1 4.88 . . 0.50 . . 1 123 Asp C 1 124 Ile HN . 16583 3 118 2JCOHN . 1 1 124 124 ILE C C 13 1 . 1 1 125 125 TYR H H 1 1 3.61 . . 0.50 . . 1 124 Ile C 1 125 Tyr HN . 16583 3 119 2JCOHN . 1 1 125 125 TYR C C 13 1 . 1 1 126 126 GLU H H 1 1 3.70 . . 0.50 . . 1 125 Tyr C 1 126 Glu HN . 16583 3 120 2JCOHN . 1 1 126 126 GLU C C 13 1 . 1 1 127 127 THR H H 1 1 3.78 . . 0.50 . . 1 126 Glu C 1 127 Thr HN . 16583 3 121 2JCOHN . 1 1 127 127 THR C C 13 1 . 1 1 128 128 LEU H H 1 1 4.15 . . 0.50 . . 1 127 Thr C 1 128 Leu HN . 16583 3 122 2JCOHN . 1 1 128 128 LEU C C 13 1 . 1 1 129 129 ARG H H 1 1 4.71 . . 0.50 . . 1 128 Leu C 1 129 Arg HN . 16583 3 123 2JCOHN . 1 1 129 129 ARG C C 13 1 . 1 1 130 130 VAL H H 1 1 4.24 . . 0.50 . . 1 129 Arg C 1 130 Val HN . 16583 3 124 2JCOHN . 1 1 130 130 VAL C C 13 1 . 1 1 131 131 ASN H H 1 1 4.39 . . 0.50 . . 1 130 Val C 1 131 Asn HN . 16583 3 125 2JCOHN . 1 1 131 131 ASN C C 13 1 . 1 1 132 132 GLN H H 1 1 3.62 . . 0.50 . . 1 131 Asn C 1 132 Gln HN . 16583 3 126 2JCOHN . 1 1 133 133 PRO C C 13 1 . 1 1 134 134 SER H H 1 1 3.73 . . 0.50 . . 1 133 Pro C 1 134 Ser HN . 16583 3 127 2JCOHN . 1 1 135 135 ILE C C 13 1 . 1 1 136 136 LYS H H 1 1 4.47 . . 0.50 . . 1 135 Ile C 1 136 Lys HN . 16583 3 128 2JCOHN . 1 1 136 136 LYS C C 13 1 . 1 1 137 137 GLY H H 1 1 4.90 . . 0.50 . . 1 136 Lys C 1 137 Gly HN . 16583 3 129 2JCOHN . 1 1 137 137 GLY C C 13 1 . 1 1 138 138 ILE H H 1 1 4.33 . . 0.50 . . 1 137 Gly C 1 138 Ile HN . 16583 3 130 2JCOHN . 1 1 138 138 ILE C C 13 1 . 1 1 139 139 ALA H H 1 1 3.89 . . 0.50 . . 1 138 Ile C 1 139 Ala HN . 16583 3 131 2JCOHN . 1 1 139 139 ALA C C 13 1 . 1 1 140 140 THR H H 1 1 4.45 . . 0.50 . . 1 139 Ala C 1 140 Thr HN . 16583 3 132 2JCOHN . 1 1 140 140 THR C C 13 1 . 1 1 141 141 PHE H H 1 1 4.39 . . 0.50 . . 1 140 Thr C 1 141 Phe HN . 16583 3 133 2JCOHN . 1 1 141 141 PHE C C 13 1 . 1 1 142 142 LYS H H 1 1 3.93 . . 0.50 . . 1 141 Phe C 1 142 Lys HN . 16583 3 134 2JCOHN . 1 1 142 142 LYS C C 13 1 . 1 1 143 143 GLN H H 1 1 3.95 . . 0.50 . . 1 142 Lys C 1 143 Gln HN . 16583 3 135 2JCOHN . 1 1 143 143 GLN C C 13 1 . 1 1 144 144 TYR H H 1 1 3.90 . . 0.50 . . 1 143 Gln C 1 144 Tyr HN . 16583 3 136 2JCOHN . 1 1 144 144 TYR C C 13 1 . 1 1 145 145 TRP H H 1 1 4.39 . . 0.50 . . 1 144 Tyr C 1 145 Trp HN . 16583 3 137 2JCOHN . 1 1 145 145 TRP C C 13 1 . 1 1 146 146 SER H H 1 1 4.10 . . 0.50 . . 1 145 Trp C 1 146 Ser HN . 16583 3 138 2JCOHN . 1 1 146 146 SER C C 13 1 . 1 1 147 147 VAL H H 1 1 3.60 . . 0.50 . . 1 146 Ser C 1 147 Val HN . 16583 3 139 2JCOHN . 1 1 147 147 VAL C C 13 1 . 1 1 148 148 ARG H H 1 1 4.41 . . 0.50 . . 1 147 Val C 1 148 Arg HN . 16583 3 140 2JCOHN . 1 1 148 148 ARG C C 13 1 . 1 1 149 149 ARG H H 1 1 3.39 . . 0.50 . . 1 148 Arg C 1 149 Arg HN . 16583 3 141 2JCOHN . 1 1 149 149 ARG C C 13 1 . 1 1 150 150 SER H H 1 1 4.90 . . 0.50 . . 1 149 Arg C 1 150 Ser HN . 16583 3 142 2JCOHN . 1 1 151 151 LYS C C 13 1 . 1 1 152 152 ARG H H 1 1 4.18 . . 0.50 . . 1 151 Lys C 1 152 Arg HN . 16583 3 143 2JCOHN . 1 1 152 152 ARG C C 13 1 . 1 1 153 153 THR H H 1 1 3.86 . . 0.50 . . 1 152 Arg C 1 153 Thr HN . 16583 3 144 2JCOHN . 1 1 153 153 THR C C 13 1 . 1 1 154 154 SER H H 1 1 4.30 . . 0.50 . . 1 153 Thr C 1 154 Ser HN . 16583 3 145 2JCOHN . 1 1 154 154 SER C C 13 1 . 1 1 155 155 GLY H H 1 1 3.80 . . 0.50 . . 1 154 Ser C 1 155 Gly HN . 16583 3 146 2JCOHN . 1 1 155 155 GLY C C 13 1 . 1 1 156 156 THR H H 1 1 4.41 . . 0.50 . . 1 155 Gly C 1 156 Thr HN . 16583 3 147 2JCOHN . 1 1 156 156 THR C C 13 1 . 1 1 157 157 ILE H H 1 1 3.88 . . 0.50 . . 1 156 Thr C 1 157 Ile HN . 16583 3 148 2JCOHN . 1 1 157 157 ILE C C 13 1 . 1 1 158 158 SER H H 1 1 3.93 . . 0.50 . . 1 157 Ile C 1 158 Ser HN . 16583 3 149 2JCOHN . 1 1 158 158 SER C C 13 1 . 1 1 159 159 VAL H H 1 1 2.73 . . 0.50 . . 1 158 Ser C 1 159 Val HN . 16583 3 150 2JCOHN . 1 1 159 159 VAL C C 13 1 . 1 1 160 160 SER H H 1 1 3.86 . . 0.50 . . 1 159 Val C 1 160 Ser HN . 16583 3 151 2JCOHN . 1 1 160 160 SER C C 13 1 . 1 1 161 161 ASN H H 1 1 4.20 . . 0.50 . . 1 160 Ser C 1 161 Asn HN . 16583 3 152 2JCOHN . 1 1 161 161 ASN C C 13 1 . 1 1 162 162 HIS H H 1 1 3.94 . . 0.50 . . 1 161 Asn C 1 162 His HN . 16583 3 153 2JCOHN . 1 1 162 162 HIS C C 13 1 . 1 1 163 163 PHE H H 1 1 3.86 . . 0.50 . . 1 162 His C 1 163 Phe HN . 16583 3 154 2JCOHN . 1 1 163 163 PHE C C 13 1 . 1 1 164 164 ARG H H 1 1 4.18 . . 0.50 . . 1 163 Phe C 1 164 Arg HN . 16583 3 155 2JCOHN . 1 1 164 164 ARG C C 13 1 . 1 1 165 165 ALA H H 1 1 4.57 . . 0.50 . . 1 164 Arg C 1 165 Ala HN . 16583 3 156 2JCOHN . 1 1 165 165 ALA C C 13 1 . 1 1 166 166 TRP H H 1 1 4.39 . . 0.50 . . 1 165 Ala C 1 166 Trp HN . 16583 3 157 2JCOHN . 1 1 166 166 TRP C C 13 1 . 1 1 167 167 GLU H H 1 1 3.80 . . 0.50 . . 1 166 Trp C 1 167 Glu HN . 16583 3 158 2JCOHN . 1 1 167 167 GLU C C 13 1 . 1 1 168 168 ASN H H 1 1 4.00 . . 0.50 . . 1 167 Glu C 1 168 Asn HN . 16583 3 159 2JCOHN . 1 1 168 168 ASN C C 13 1 . 1 1 169 169 LEU H H 1 1 4.44 . . 0.50 . . 1 168 Asn C 1 169 Leu HN . 16583 3 160 2JCOHN . 1 1 169 169 LEU C C 13 1 . 1 1 170 170 GLY H H 1 1 4.85 . . 0.50 . . 1 169 Leu C 1 170 Gly HN . 16583 3 161 2JCOHN . 1 1 170 170 GLY C C 13 1 . 1 1 171 171 MET H H 1 1 4.61 . . 0.50 . . 1 170 Gly C 1 171 Met HN . 16583 3 162 2JCOHN . 1 1 171 171 MET C C 13 1 . 1 1 172 172 ASN H H 1 1 4.25 . . 0.50 . . 1 171 Met C 1 172 Asn HN . 16583 3 163 2JCOHN . 1 1 172 172 ASN C C 13 1 . 1 1 173 173 MET H H 1 1 4.05 . . 0.50 . . 1 172 Asn C 1 173 Met HN . 16583 3 164 2JCOHN . 1 1 173 173 MET C C 13 1 . 1 1 174 174 GLY H H 1 1 4.95 . . 0.50 . . 1 173 Met C 1 174 Gly HN . 16583 3 165 2JCOHN . 1 1 174 174 GLY C C 13 1 . 1 1 175 175 LYS H H 1 1 3.18 . . 0.50 . . 1 174 Gly C 1 175 Lys HN . 16583 3 166 2JCOHN . 1 1 175 175 LYS C C 13 1 . 1 1 176 176 MET H H 1 1 3.93 . . 0.50 . . 1 175 Lys C 1 176 Met HN . 16583 3 167 2JCOHN . 1 1 176 176 MET C C 13 1 . 1 1 177 177 TYR H H 1 1 3.94 . . 0.50 . . 1 176 Met C 1 177 Tyr HN . 16583 3 168 2JCOHN . 1 1 177 177 TYR C C 13 1 . 1 1 178 178 GLU H H 1 1 4.35 . . 0.50 . . 1 177 Tyr C 1 178 Glu HN . 16583 3 169 2JCOHN . 1 1 178 178 GLU C C 13 1 . 1 1 179 179 VAL H H 1 1 4.10 . . 0.50 . . 1 178 Glu C 1 179 Val HN . 16583 3 170 2JCOHN . 1 1 179 179 VAL C C 13 1 . 1 1 180 180 ALA H H 1 1 3.52 . . 0.50 . . 1 179 Val C 1 180 Ala HN . 16583 3 171 2JCOHN . 1 1 180 180 ALA C C 13 1 . 1 1 181 181 LEU H H 1 1 4.10 . . 0.50 . . 1 180 Ala C 1 181 Leu HN . 16583 3 172 2JCOHN . 1 1 181 181 LEU C C 13 1 . 1 1 182 182 THR H H 1 1 3.94 . . 0.50 . . 1 181 Leu C 1 182 Thr HN . 16583 3 173 2JCOHN . 1 1 182 182 THR C C 13 1 . 1 1 183 183 VAL H H 1 1 4.32 . . 0.50 . . 1 182 Thr C 1 183 Val HN . 16583 3 174 2JCOHN . 1 1 183 183 VAL C C 13 1 . 1 1 184 184 GLU H H 1 1 4.25 . . 0.50 . . 1 183 Val C 1 184 Glu HN . 16583 3 175 2JCOHN . 1 1 184 184 GLU C C 13 1 . 1 1 185 185 GLY H H 1 1 4.20 . . 0.50 . . 1 184 Glu C 1 185 Gly HN . 16583 3 176 2JCOHN . 1 1 185 185 GLY C C 13 1 . 1 1 186 186 TYR H H 1 1 4.53 . . 0.50 . . 1 185 Gly C 1 186 Tyr HN . 16583 3 177 2JCOHN . 1 1 186 186 TYR C C 13 1 . 1 1 187 187 GLN H H 1 1 4.04 . . 0.50 . . 1 186 Tyr C 1 187 Gln HN . 16583 3 178 2JCOHN . 1 1 187 187 GLN C C 13 1 . 1 1 188 188 SER H H 1 1 3.31 . . 0.50 . . 1 187 Gln C 1 188 Ser HN . 16583 3 179 2JCOHN . 1 1 188 188 SER C C 13 1 . 1 1 189 189 SER H H 1 1 3.48 . . 0.50 . . 1 188 Ser C 1 189 Ser HN . 16583 3 180 2JCOHN . 1 1 189 189 SER C C 13 1 . 1 1 190 190 GLY H H 1 1 4.00 . . 0.50 . . 1 189 Ser C 1 190 Gly HN . 16583 3 181 2JCOHN . 1 1 190 190 GLY C C 13 1 . 1 1 191 191 SER H H 1 1 4.35 . . 0.50 . . 1 190 Gly C 1 191 Ser HN . 16583 3 182 2JCOHN . 1 1 191 191 SER C C 13 1 . 1 1 192 192 ALA H H 1 1 3.50 . . 0.50 . . 1 191 Ser C 1 192 Ala HN . 16583 3 183 2JCOHN . 1 1 192 192 ALA C C 13 1 . 1 1 193 193 ASN H H 1 1 3.94 . . 0.50 . . 1 192 Ala C 1 193 Asn HN . 16583 3 184 2JCOHN . 1 1 193 193 ASN C C 13 1 . 1 1 194 194 VAL H H 1 1 4.34 . . 0.50 . . 1 193 Asn C 1 194 Val HN . 16583 3 185 2JCOHN . 1 1 194 194 VAL C C 13 1 . 1 1 195 195 TYR H H 1 1 3.82 . . 0.50 . . 1 194 Val C 1 195 Tyr HN . 16583 3 186 2JCOHN . 1 1 195 195 TYR C C 13 1 . 1 1 196 196 SER H H 1 1 4.45 . . 0.50 . . 1 195 Tyr C 1 196 Ser HN . 16583 3 187 2JCOHN . 1 1 196 196 SER C C 13 1 . 1 1 197 197 ASN H H 1 1 3.57 . . 0.50 . . 1 196 Ser C 1 197 Asn HN . 16583 3 188 2JCOHN . 1 1 197 197 ASN C C 13 1 . 1 1 198 198 THR H H 1 1 3.51 . . 0.50 . . 1 197 Asn C 1 198 Thr HN . 16583 3 189 2JCOHN . 1 1 198 198 THR C C 13 1 . 1 1 199 199 LEU H H 1 1 3.91 . . 0.50 . . 1 198 Thr C 1 199 Leu HN . 16583 3 190 2JCOHN . 1 1 199 199 LEU C C 13 1 . 1 1 200 200 ARG H H 1 1 4.38 . . 0.50 . . 1 199 Leu C 1 200 Arg HN . 16583 3 191 2JCOHN . 1 1 200 200 ARG C C 13 1 . 1 1 201 201 ILE H H 1 1 4.34 . . 0.50 . . 1 200 Arg C 1 201 Ile HN . 16583 3 192 2JCOHN . 1 1 201 201 ILE C C 13 1 . 1 1 202 202 ASN H H 1 1 4.20 . . 0.50 . . 1 201 Ile C 1 202 Asn HN . 16583 3 193 2JCOHN . 1 1 202 202 ASN C C 13 1 . 1 1 203 203 GLY H H 1 1 4.40 . . 0.50 . . 1 202 Asn C 1 203 Gly HN . 16583 3 194 2JCOHN . 1 1 203 203 GLY C C 13 1 . 1 1 204 204 ASN H H 1 1 4.51 . . 0.50 . . 1 203 Gly C 1 204 Asn HN . 16583 3 195 2JCOHN . 1 1 205 205 PRO C C 13 1 . 1 1 206 206 LEU H H 1 1 3.75 . . 0.50 . . 1 205 Pro C 1 206 Leu HN . 16583 3 196 2JCOHN . 1 1 206 206 LEU C C 13 1 . 1 1 207 207 SER H H 1 1 4.12 . . 0.50 . . 1 206 Leu C 1 207 Ser HN . 16583 3 stop_ save_ save_2JN_Ha _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 2JN_Ha _Coupling_constant_list.Entry_ID 16583 _Coupling_constant_list.ID 4 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 950 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 4 '3D Ha-coupled [15N,1H]-TROSY-iHNCA' . . . 16583 4 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 2JN_HA . 1 1 3 3 VAL N N 15 1 . 1 1 3 3 VAL HA H 1 1 0.98 . . 0.50 . . 1 3 Val N 1 3 Val HA . 16583 4 2 2JN_HA . 1 1 4 4 THR N N 15 1 . 1 1 4 4 THR HA H 1 1 1.84 . . 0.50 . . 1 4 Thr N 1 4 Thr HA . 16583 4 3 2JN_HA . 1 1 5 5 ASP N N 15 1 . 1 1 5 5 ASP HA H 1 1 1.79 . . 0.50 . . 1 5 Asp N 1 5 Asp HA . 16583 4 4 2JN_HA . 1 1 6 6 ASN N N 15 1 . 1 1 6 6 ASN HA H 1 1 0.93 . . 0.50 . . 1 6 Asn N 1 6 Asn HA . 16583 4 5 2JN_HA . 1 1 7 7 SER N N 15 1 . 1 1 7 7 SER HA H 1 1 1.03 . . 0.50 . . 1 7 Ser N 1 7 Ser HA . 16583 4 6 2JN_HA . 1 1 8 8 ILE N N 15 1 . 1 1 8 8 ILE HA H 1 1 2.22 . . 0.50 . . 1 8 Ile N 1 8 Ile HA . 16583 4 7 2JN_HA . 1 1 10 10 ASN N N 15 1 . 1 1 10 10 ASN HA H 1 1 1.80 . . 0.50 . . 1 10 Asn N 1 10 Asn HA . 16583 4 8 2JN_HA . 1 1 11 11 HIS N N 15 1 . 1 1 11 11 HIS HA H 1 1 2.05 . . 0.50 . . 1 11 His N 1 11 His HA . 16583 4 9 2JN_HA . 1 1 12 12 ASP N N 15 1 . 1 1 12 12 ASP HA H 1 1 0.51 . . 0.50 . . 1 12 Asp N 1 12 Asp HA . 16583 4 10 2JN_HA . 1 1 14 14 TYR N N 15 1 . 1 1 14 14 TYR HA H 1 1 1.09 . . 0.50 . . 1 14 Tyr N 1 14 Tyr HA . 16583 4 11 2JN_HA . 1 1 15 15 ASP N N 15 1 . 1 1 15 15 ASP HA H 1 1 1.16 . . 0.50 . . 1 15 Asp N 1 15 Asp HA . 16583 4 12 2JN_HA . 1 1 16 16 TYR N N 15 1 . 1 1 16 16 TYR HA H 1 1 1.72 . . 0.50 . . 1 16 Tyr N 1 16 Tyr HA . 16583 4 13 2JN_HA . 1 1 17 17 GLU N N 15 1 . 1 1 17 17 GLU HA H 1 1 0.02 . . 0.50 . . 1 17 Glu N 1 17 Glu HA . 16583 4 14 2JN_HA . 1 1 18 18 PHE N N 15 1 . 1 1 18 18 PHE HA H 1 1 1.68 . . 0.50 . . 1 18 Phe N 1 18 Phe HA . 16583 4 15 2JN_HA . 1 1 19 19 TRP N N 15 1 . 1 1 19 19 TRP HA H 1 1 1.68 . . 0.50 . . 1 19 Trp N 1 19 Trp HA . 16583 4 16 2JN_HA . 1 1 20 20 LYS N N 15 1 . 1 1 20 20 LYS HA H 1 1 1.58 . . 0.50 . . 1 20 Lys N 1 20 Lys HA . 16583 4 17 2JN_HA . 1 1 21 21 ASP N N 15 1 . 1 1 21 21 ASP HA H 1 1 1.43 . . 0.50 . . 1 21 Asp N 1 21 Asp HA . 16583 4 18 2JN_HA . 1 1 22 22 SER N N 15 1 . 1 1 22 22 SER HA H 1 1 0.97 . . 0.50 . . 1 22 Ser N 1 22 Ser HA . 16583 4 19 2JN_HA . 1 1 25 25 SER N N 15 1 . 1 1 25 25 SER HA H 1 1 1.46 . . 0.50 . . 1 25 Ser N 1 25 Ser HA . 16583 4 20 2JN_HA . 1 1 27 27 THR N N 15 1 . 1 1 27 27 THR HA H 1 1 1.27 . . 0.50 . . 1 27 Thr N 1 27 Thr HA . 16583 4 21 2JN_HA . 1 1 28 28 MET N N 15 1 . 1 1 28 28 MET HA H 1 1 1.01 . . 0.50 . . 1 28 Met N 1 28 Met HA . 16583 4 22 2JN_HA . 1 1 29 29 ILE N N 15 1 . 1 1 29 29 ILE HA H 1 1 0.94 . . 0.50 . . 1 29 Ile N 1 29 Ile HA . 16583 4 23 2JN_HA . 1 1 31 31 ASN N N 15 1 . 1 1 31 31 ASN HA H 1 1 1.47 . . 0.50 . . 1 31 Asn N 1 31 Asn HA . 16583 4 24 2JN_HA . 1 1 32 32 HIS N N 15 1 . 1 1 32 32 HIS HA H 1 1 1.83 . . 0.50 . . 1 32 His N 1 32 His HA . 16583 4 25 2JN_HA . 1 1 35 35 THR N N 15 1 . 1 1 35 35 THR HA H 1 1 1.59 . . 0.50 . . 1 35 Thr N 1 35 Thr HA . 16583 4 26 2JN_HA . 1 1 36 36 PHE N N 15 1 . 1 1 36 36 PHE HA H 1 1 0.90 . . 0.50 . . 1 36 Phe N 1 36 Phe HA . 16583 4 27 2JN_HA . 1 1 37 37 SER N N 15 1 . 1 1 37 37 SER HA H 1 1 1.46 . . 0.50 . . 1 37 Ser N 1 37 Ser HA . 16583 4 28 2JN_HA . 1 1 38 38 ALA N N 15 1 . 1 1 38 38 ALA HA H 1 1 0.59 . . 0.50 . . 1 38 Ala N 1 38 Ala HA . 16583 4 29 2JN_HA . 1 1 39 39 GLN N N 15 1 . 1 1 39 39 GLN HA H 1 1 1.21 . . 0.50 . . 1 39 Gln N 1 39 Gln HA . 16583 4 30 2JN_HA . 1 1 40 40 TRP N N 15 1 . 1 1 40 40 TRP HA H 1 1 1.60 . . 0.50 . . 1 40 Trp N 1 40 Trp HA . 16583 4 31 2JN_HA . 1 1 41 41 ASN N N 15 1 . 1 1 41 41 ASN HA H 1 1 1.33 . . 0.50 . . 1 41 Asn N 1 41 Asn HA . 16583 4 32 2JN_HA . 1 1 42 42 ASN N N 15 1 . 1 1 42 42 ASN HA H 1 1 1.06 . . 0.50 . . 1 42 Asn N 1 42 Asn HA . 16583 4 33 2JN_HA . 1 1 43 43 VAL N N 15 1 . 1 1 43 43 VAL HA H 1 1 0.92 . . 0.50 . . 1 43 Val N 1 43 Val HA . 16583 4 34 2JN_HA . 1 1 44 44 ASN N N 15 1 . 1 1 44 44 ASN HA H 1 1 2.60 . . 0.50 . . 1 44 Asn N 1 44 Asn HA . 16583 4 35 2JN_HA . 1 1 45 45 ASN N N 15 1 . 1 1 45 45 ASN HA H 1 1 1.36 . . 0.50 . . 1 45 Asn N 1 45 Asn HA . 16583 4 36 2JN_HA . 1 1 46 46 ILE N N 15 1 . 1 1 46 46 ILE HA H 1 1 1.75 . . 0.50 . . 1 46 Ile N 1 46 Ile HA . 16583 4 37 2JN_HA . 1 1 47 47 LEU N N 15 1 . 1 1 47 47 LEU HA H 1 1 1.08 . . 0.50 . . 1 47 Leu N 1 47 Leu HA . 16583 4 38 2JN_HA . 1 1 48 48 PHE N N 15 1 . 1 1 48 48 PHE HA H 1 1 1.94 . . 0.50 . . 1 48 Phe N 1 48 Phe HA . 16583 4 39 2JN_HA . 1 1 49 49 ARG N N 15 1 . 1 1 49 49 ARG HA H 1 1 1.38 . . 0.50 . . 1 49 Arg N 1 49 Arg HA . 16583 4 40 2JN_HA . 1 1 50 50 LYS N N 15 1 . 1 1 50 50 LYS HA H 1 1 1.19 . . 0.50 . . 1 50 Lys N 1 50 Lys HA . 16583 4 41 2JN_HA . 1 1 52 52 LYS N N 15 1 . 1 1 52 52 LYS HA H 1 1 1.33 . . 0.50 . . 1 52 Lys N 1 52 Lys HA . 16583 4 42 2JN_HA . 1 1 53 53 LYS N N 15 1 . 1 1 53 53 LYS HA H 1 1 1.79 . . 0.50 . . 1 53 Lys N 1 53 Lys HA . 16583 4 43 2JN_HA . 1 1 54 54 PHE N N 15 1 . 1 1 54 54 PHE HA H 1 1 1.64 . . 0.50 . . 1 54 Phe N 1 54 Phe HA . 16583 4 44 2JN_HA . 1 1 55 55 ASN N N 15 1 . 1 1 55 55 ASN HA H 1 1 2.23 . . 0.50 . . 1 55 Asn N 1 55 Asn HA . 16583 4 45 2JN_HA . 1 1 56 56 GLU N N 15 1 . 1 1 56 56 GLU HA H 1 1 1.73 . . 0.50 . . 1 56 Glu N 1 56 Glu HA . 16583 4 46 2JN_HA . 1 1 57 57 THR N N 15 1 . 1 1 57 57 THR HA H 1 1 2.01 . . 0.50 . . 1 57 Thr N 1 57 Thr HA . 16583 4 47 2JN_HA . 1 1 58 58 GLN N N 15 1 . 1 1 58 58 GLN HA H 1 1 1.01 . . 0.50 . . 1 58 Gln N 1 58 Gln HA . 16583 4 48 2JN_HA . 1 1 59 59 THR N N 15 1 . 1 1 59 59 THR HA H 1 1 1.22 . . 0.50 . . 1 59 Thr N 1 59 Thr HA . 16583 4 49 2JN_HA . 1 1 60 60 HIS N N 15 1 . 1 1 60 60 HIS HA H 1 1 1.34 . . 0.50 . . 1 60 His N 1 60 His HA . 16583 4 50 2JN_HA . 1 1 61 61 GLN N N 15 1 . 1 1 61 61 GLN HA H 1 1 0.82 . . 0.50 . . 1 61 Gln N 1 61 Gln HA . 16583 4 51 2JN_HA . 1 1 62 62 GLN N N 15 1 . 1 1 62 62 GLN HA H 1 1 0.69 . . 0.50 . . 1 62 Gln N 1 62 Gln HA . 16583 4 52 2JN_HA . 1 1 63 63 VAL N N 15 1 . 1 1 63 63 VAL HA H 1 1 0.86 . . 0.50 . . 1 63 Val N 1 63 Val HA . 16583 4 53 2JN_HA . 1 1 65 65 ASN N N 15 1 . 1 1 65 65 ASN HA H 1 1 1.51 . . 0.50 . . 1 65 Asn N 1 65 Asn HA . 16583 4 54 2JN_HA . 1 1 66 66 MET N N 15 1 . 1 1 66 66 MET HA H 1 1 1.16 . . 0.50 . . 1 66 Met N 1 66 Met HA . 16583 4 55 2JN_HA . 1 1 67 67 SER N N 15 1 . 1 1 67 67 SER HA H 1 1 1.38 . . 0.50 . . 1 67 Ser N 1 67 Ser HA . 16583 4 56 2JN_HA . 1 1 68 68 ILE N N 15 1 . 1 1 68 68 ILE HA H 1 1 1.53 . . 0.50 . . 1 68 Ile N 1 68 Ile HA . 16583 4 57 2JN_HA . 1 1 69 69 ASN N N 15 1 . 1 1 69 69 ASN HA H 1 1 1.34 . . 0.50 . . 1 69 Asn N 1 69 Asn HA . 16583 4 58 2JN_HA . 1 1 70 70 TYR N N 15 1 . 1 1 70 70 TYR HA H 1 1 1.52 . . 0.50 . . 1 70 Tyr N 1 70 Tyr HA . 16583 4 59 2JN_HA . 1 1 72 72 ALA N N 15 1 . 1 1 72 72 ALA HA H 1 1 1.04 . . 0.50 . . 1 72 Ala N 1 72 Ala HA . 16583 4 60 2JN_HA . 1 1 73 73 ASN N N 15 1 . 1 1 73 73 ASN HA H 1 1 1.15 . . 0.50 . . 1 73 Asn N 1 73 Asn HA . 16583 4 61 2JN_HA . 1 1 74 74 PHE N N 15 1 . 1 1 74 74 PHE HA H 1 1 1.50 . . 0.50 . . 1 74 Phe N 1 74 Phe HA . 16583 4 62 2JN_HA . 1 1 75 75 GLN N N 15 1 . 1 1 75 75 GLN HA H 1 1 2.86 . . 0.50 . . 1 75 Gln N 1 75 Gln HA . 16583 4 63 2JN_HA . 1 1 77 77 ASN N N 15 1 . 1 1 77 77 ASN HA H 1 1 2.23 . . 0.50 . . 1 77 Asn N 1 77 Asn HA . 16583 4 64 2JN_HA . 1 1 79 79 ASN N N 15 1 . 1 1 79 79 ASN HA H 1 1 1.04 . . 0.50 . . 1 79 Asn N 1 79 Asn HA . 16583 4 65 2JN_HA . 1 1 80 80 ALA N N 15 1 . 1 1 80 80 ALA HA H 1 1 1.23 . . 0.50 . . 1 80 Ala N 1 80 Ala HA . 16583 4 66 2JN_HA . 1 1 81 81 TYR N N 15 1 . 1 1 81 81 TYR HA H 1 1 1.17 . . 0.50 . . 1 81 Tyr N 1 81 Tyr HA . 16583 4 67 2JN_HA . 1 1 82 82 LEU N N 15 1 . 1 1 82 82 LEU HA H 1 1 1.70 . . 0.50 . . 1 82 Leu N 1 82 Leu HA . 16583 4 68 2JN_HA . 1 1 83 83 CYS N N 15 1 . 1 1 83 83 CYS HA H 1 1 0.91 . . 0.50 . . 1 83 Cys N 1 83 Cys HA . 16583 4 69 2JN_HA . 1 1 84 84 VAL N N 15 1 . 1 1 84 84 VAL HA H 1 1 1.95 . . 0.50 . . 1 84 Val N 1 84 Val HA . 16583 4 70 2JN_HA . 1 1 85 85 TYR N N 15 1 . 1 1 85 85 TYR HA H 1 1 0.86 . . 0.50 . . 1 85 Tyr N 1 85 Tyr HA . 16583 4 71 2JN_HA . 1 1 87 87 TRP N N 15 1 . 1 1 87 87 TRP HA H 1 1 0.60 . . 0.50 . . 1 87 Trp N 1 87 Trp HA . 16583 4 72 2JN_HA . 1 1 88 88 THR N N 15 1 . 1 1 88 88 THR HA H 1 1 1.20 . . 0.50 . . 1 88 Thr N 1 88 Thr HA . 16583 4 73 2JN_HA . 1 1 89 89 VAL N N 15 1 . 1 1 89 89 VAL HA H 1 1 1.08 . . 0.50 . . 1 89 Val N 1 89 Val HA . 16583 4 74 2JN_HA . 1 1 90 90 ASP N N 15 1 . 1 1 90 90 ASP HA H 1 1 0.07 . . 0.50 . . 1 90 Asp N 1 90 Asp HA . 16583 4 75 2JN_HA . 1 1 92 92 LEU N N 15 1 . 1 1 92 92 LEU HA H 1 1 1.14 . . 0.50 . . 1 92 Leu N 1 92 Leu HA . 16583 4 76 2JN_HA . 1 1 93 93 VAL N N 15 1 . 1 1 93 93 VAL HA H 1 1 1.27 . . 0.50 . . 1 93 Val N 1 93 Val HA . 16583 4 77 2JN_HA . 1 1 94 94 GLU N N 15 1 . 1 1 94 94 GLU HA H 1 1 0.90 . . 0.50 . . 1 94 Glu N 1 94 Glu HA . 16583 4 78 2JN_HA . 1 1 95 95 TYR N N 15 1 . 1 1 95 95 TYR HA H 1 1 1.41 . . 0.50 . . 1 95 Tyr N 1 95 Tyr HA . 16583 4 79 2JN_HA . 1 1 96 96 TYR N N 15 1 . 1 1 96 96 TYR HA H 1 1 1.35 . . 0.50 . . 1 96 Tyr N 1 96 Tyr HA . 16583 4 80 2JN_HA . 1 1 97 97 ILE N N 15 1 . 1 1 97 97 ILE HA H 1 1 1.96 . . 0.50 . . 1 97 Ile N 1 97 Ile HA . 16583 4 81 2JN_HA . 1 1 98 98 VAL N N 15 1 . 1 1 98 98 VAL HA H 1 1 1.24 . . 0.50 . . 1 98 Val N 1 98 Val HA . 16583 4 82 2JN_HA . 1 1 99 99 ASP N N 15 1 . 1 1 99 99 ASP HA H 1 1 1.77 . . 0.50 . . 1 99 Asp N 1 99 Asp HA . 16583 4 83 2JN_HA . 1 1 100 100 SER N N 15 1 . 1 1 100 100 SER HA H 1 1 1.71 . . 0.50 . . 1 100 Ser N 1 100 Ser HA . 16583 4 84 2JN_HA . 1 1 101 101 TRP N N 15 1 . 1 1 101 101 TRP HA H 1 1 1.23 . . 0.50 . . 1 101 Trp N 1 101 Trp HA . 16583 4 85 2JN_HA . 1 1 103 103 ASN N N 15 1 . 1 1 103 103 ASN HA H 1 1 1.77 . . 0.50 . . 1 103 Asn N 1 103 Asn HA . 16583 4 86 2JN_HA . 1 1 104 104 TRP N N 15 1 . 1 1 104 104 TRP HA H 1 1 1.48 . . 0.50 . . 1 104 Trp N 1 104 Trp HA . 16583 4 87 2JN_HA . 1 1 105 105 ARG N N 15 1 . 1 1 105 105 ARG HA H 1 1 1.42 . . 0.50 . . 1 105 Arg N 1 105 Arg HA . 16583 4 88 2JN_HA . 1 1 109 109 ALA N N 15 1 . 1 1 109 109 ALA HA H 1 1 1.64 . . 0.50 . . 1 109 Ala N 1 109 Ala HA . 16583 4 89 2JN_HA . 1 1 110 110 THR N N 15 1 . 1 1 110 110 THR HA H 1 1 1.54 . . 0.50 . . 1 110 Thr N 1 110 Thr HA . 16583 4 90 2JN_HA . 1 1 112 112 LYS N N 15 1 . 1 1 112 112 LYS HA H 1 1 1.89 . . 0.50 . . 1 112 Lys N 1 112 Lys HA . 16583 4 91 2JN_HA . 1 1 114 114 THR N N 15 1 . 1 1 114 114 THR HA H 1 1 0.65 . . 0.50 . . 1 114 Thr N 1 114 Thr HA . 16583 4 92 2JN_HA . 1 1 115 115 ILE N N 15 1 . 1 1 115 115 ILE HA H 1 1 1.78 . . 0.50 . . 1 115 Ile N 1 115 Ile HA . 16583 4 93 2JN_HA . 1 1 116 116 THR N N 15 1 . 1 1 116 116 THR HA H 1 1 2.60 . . 0.50 . . 1 116 Thr N 1 116 Thr HA . 16583 4 94 2JN_HA . 1 1 117 117 VAL N N 15 1 . 1 1 117 117 VAL HA H 1 1 1.28 . . 0.50 . . 1 117 Val N 1 117 Val HA . 16583 4 95 2JN_HA . 1 1 118 118 ASP N N 15 1 . 1 1 118 118 ASP HA H 1 1 0.74 . . 0.50 . . 1 118 Asp N 1 118 Asp HA . 16583 4 96 2JN_HA . 1 1 121 121 THR N N 15 1 . 1 1 121 121 THR HA H 1 1 1.71 . . 0.50 . . 1 121 Thr N 1 121 Thr HA . 16583 4 97 2JN_HA . 1 1 122 122 TYR N N 15 1 . 1 1 122 122 TYR HA H 1 1 1.13 . . 0.50 . . 1 122 Tyr N 1 122 Tyr HA . 16583 4 98 2JN_HA . 1 1 123 123 ASP N N 15 1 . 1 1 123 123 ASP HA H 1 1 0.69 . . 0.50 . . 1 123 Asp N 1 123 Asp HA . 16583 4 99 2JN_HA . 1 1 124 124 ILE N N 15 1 . 1 1 124 124 ILE HA H 1 1 1.44 . . 0.50 . . 1 124 Ile N 1 124 Ile HA . 16583 4 100 2JN_HA . 1 1 125 125 TYR N N 15 1 . 1 1 125 125 TYR HA H 1 1 1.21 . . 0.50 . . 1 125 Tyr N 1 125 Tyr HA . 16583 4 101 2JN_HA . 1 1 126 126 GLU N N 15 1 . 1 1 126 126 GLU HA H 1 1 0.90 . . 0.50 . . 1 126 Glu N 1 126 Glu HA . 16583 4 102 2JN_HA . 1 1 127 127 THR N N 15 1 . 1 1 127 127 THR HA H 1 1 2.24 . . 0.50 . . 1 127 Thr N 1 127 Thr HA . 16583 4 103 2JN_HA . 1 1 128 128 LEU N N 15 1 . 1 1 128 128 LEU HA H 1 1 1.79 . . 0.50 . . 1 128 Leu N 1 128 Leu HA . 16583 4 104 2JN_HA . 1 1 129 129 ARG N N 15 1 . 1 1 129 129 ARG HA H 1 1 2.15 . . 0.50 . . 1 129 Arg N 1 129 Arg HA . 16583 4 105 2JN_HA . 1 1 130 130 VAL N N 15 1 . 1 1 130 130 VAL HA H 1 1 1.28 . . 0.50 . . 1 130 Val N 1 130 Val HA . 16583 4 106 2JN_HA . 1 1 131 131 ASN N N 15 1 . 1 1 131 131 ASN HA H 1 1 1.31 . . 0.50 . . 1 131 Asn N 1 131 Asn HA . 16583 4 107 2JN_HA . 1 1 132 132 GLN N N 15 1 . 1 1 132 132 GLN HA H 1 1 1.08 . . 0.50 . . 1 132 Gln N 1 132 Gln HA . 16583 4 108 2JN_HA . 1 1 134 134 SER N N 15 1 . 1 1 134 134 SER HA H 1 1 1.60 . . 0.50 . . 1 134 Ser N 1 134 Ser HA . 16583 4 109 2JN_HA . 1 1 136 136 LYS N N 15 1 . 1 1 136 136 LYS HA H 1 1 2.01 . . 0.50 . . 1 136 Lys N 1 136 Lys HA . 16583 4 110 2JN_HA . 1 1 138 138 ILE N N 15 1 . 1 1 138 138 ILE HA H 1 1 1.41 . . 0.50 . . 1 138 Ile N 1 138 Ile HA . 16583 4 111 2JN_HA . 1 1 139 139 ALA N N 15 1 . 1 1 139 139 ALA HA H 1 1 1.23 . . 0.50 . . 1 139 Ala N 1 139 Ala HA . 16583 4 112 2JN_HA . 1 1 140 140 THR N N 15 1 . 1 1 140 140 THR HA H 1 1 1.23 . . 0.50 . . 1 140 Thr N 1 140 Thr HA . 16583 4 113 2JN_HA . 1 1 141 141 PHE N N 15 1 . 1 1 141 141 PHE HA H 1 1 1.20 . . 0.50 . . 1 141 Phe N 1 141 Phe HA . 16583 4 114 2JN_HA . 1 1 142 142 LYS N N 15 1 . 1 1 142 142 LYS HA H 1 1 0.67 . . 0.50 . . 1 142 Lys N 1 142 Lys HA . 16583 4 115 2JN_HA . 1 1 143 143 GLN N N 15 1 . 1 1 143 143 GLN HA H 1 1 1.25 . . 0.50 . . 1 143 Gln N 1 143 Gln HA . 16583 4 116 2JN_HA . 1 1 144 144 TYR N N 15 1 . 1 1 144 144 TYR HA H 1 1 0.80 . . 0.50 . . 1 144 Tyr N 1 144 Tyr HA . 16583 4 117 2JN_HA . 1 1 145 145 TRP N N 15 1 . 1 1 145 145 TRP HA H 1 1 0.34 . . 0.50 . . 1 145 Trp N 1 145 Trp HA . 16583 4 118 2JN_HA . 1 1 146 146 SER N N 15 1 . 1 1 146 146 SER HA H 1 1 0.44 . . 0.50 . . 1 146 Ser N 1 146 Ser HA . 16583 4 119 2JN_HA . 1 1 147 147 VAL N N 15 1 . 1 1 147 147 VAL HA H 1 1 1.32 . . 0.50 . . 1 147 Val N 1 147 Val HA . 16583 4 120 2JN_HA . 1 1 148 148 ARG N N 15 1 . 1 1 148 148 ARG HA H 1 1 1.59 . . 0.50 . . 1 148 Arg N 1 148 Arg HA . 16583 4 121 2JN_HA . 1 1 149 149 ARG N N 15 1 . 1 1 149 149 ARG HA H 1 1 -0.14 . . 0.50 . . 1 149 Arg N 1 149 Arg HA . 16583 4 122 2JN_HA . 1 1 152 152 ARG N N 15 1 . 1 1 152 152 ARG HA H 1 1 1.61 . . 0.50 . . 1 152 Arg N 1 152 Arg HA . 16583 4 123 2JN_HA . 1 1 153 153 THR N N 15 1 . 1 1 153 153 THR HA H 1 1 1.72 . . 0.50 . . 1 153 Thr N 1 153 Thr HA . 16583 4 124 2JN_HA . 1 1 154 154 SER N N 15 1 . 1 1 154 154 SER HA H 1 1 1.44 . . 0.50 . . 1 154 Ser N 1 154 Ser HA . 16583 4 125 2JN_HA . 1 1 156 156 THR N N 15 1 . 1 1 156 156 THR HA H 1 1 0.88 . . 0.50 . . 1 156 Thr N 1 156 Thr HA . 16583 4 126 2JN_HA . 1 1 157 157 ILE N N 15 1 . 1 1 157 157 ILE HA H 1 1 1.68 . . 0.50 . . 1 157 Ile N 1 157 Ile HA . 16583 4 127 2JN_HA . 1 1 158 158 SER N N 15 1 . 1 1 158 158 SER HA H 1 1 1.22 . . 0.50 . . 1 158 Ser N 1 158 Ser HA . 16583 4 128 2JN_HA . 1 1 159 159 VAL N N 15 1 . 1 1 159 159 VAL HA H 1 1 0.66 . . 0.50 . . 1 159 Val N 1 159 Val HA . 16583 4 129 2JN_HA . 1 1 160 160 SER N N 15 1 . 1 1 160 160 SER HA H 1 1 0.16 . . 0.50 . . 1 160 Ser N 1 160 Ser HA . 16583 4 130 2JN_HA . 1 1 161 161 ASN N N 15 1 . 1 1 161 161 ASN HA H 1 1 0.79 . . 0.50 . . 1 161 Asn N 1 161 Asn HA . 16583 4 131 2JN_HA . 1 1 162 162 HIS N N 15 1 . 1 1 162 162 HIS HA H 1 1 0.63 . . 0.50 . . 1 162 His N 1 162 His HA . 16583 4 132 2JN_HA . 1 1 163 163 PHE N N 15 1 . 1 1 163 163 PHE HA H 1 1 0.44 . . 0.50 . . 1 163 Phe N 1 163 Phe HA . 16583 4 133 2JN_HA . 1 1 164 164 ARG N N 15 1 . 1 1 164 164 ARG HA H 1 1 0.58 . . 0.50 . . 1 164 Arg N 1 164 Arg HA . 16583 4 134 2JN_HA . 1 1 165 165 ALA N N 15 1 . 1 1 165 165 ALA HA H 1 1 1.09 . . 0.50 . . 1 165 Ala N 1 165 Ala HA . 16583 4 135 2JN_HA . 1 1 166 166 TRP N N 15 1 . 1 1 166 166 TRP HA H 1 1 1.33 . . 0.50 . . 1 166 Trp N 1 166 Trp HA . 16583 4 136 2JN_HA . 1 1 167 167 GLU N N 15 1 . 1 1 167 167 GLU HA H 1 1 0.80 . . 0.50 . . 1 167 Glu N 1 167 Glu HA . 16583 4 137 2JN_HA . 1 1 168 168 ASN N N 15 1 . 1 1 168 168 ASN HA H 1 1 1.36 . . 0.50 . . 1 168 Asn N 1 168 Asn HA . 16583 4 138 2JN_HA . 1 1 169 169 LEU N N 15 1 . 1 1 169 169 LEU HA H 1 1 1.59 . . 0.50 . . 1 169 Leu N 1 169 Leu HA . 16583 4 139 2JN_HA . 1 1 171 171 MET N N 15 1 . 1 1 171 171 MET HA H 1 1 1.50 . . 0.50 . . 1 171 Met N 1 171 Met HA . 16583 4 140 2JN_HA . 1 1 172 172 ASN N N 15 1 . 1 1 172 172 ASN HA H 1 1 1.27 . . 0.50 . . 1 172 Asn N 1 172 Asn HA . 16583 4 141 2JN_HA . 1 1 173 173 MET N N 15 1 . 1 1 173 173 MET HA H 1 1 1.65 . . 0.50 . . 1 173 Met N 1 173 Met HA . 16583 4 142 2JN_HA . 1 1 175 175 LYS N N 15 1 . 1 1 175 175 LYS HA H 1 1 0.17 . . 0.50 . . 1 175 Lys N 1 175 Lys HA . 16583 4 143 2JN_HA . 1 1 176 176 MET N N 15 1 . 1 1 176 176 MET HA H 1 1 0.98 . . 0.50 . . 1 176 Met N 1 176 Met HA . 16583 4 144 2JN_HA . 1 1 177 177 TYR N N 15 1 . 1 1 177 177 TYR HA H 1 1 2.45 . . 0.50 . . 1 177 Tyr N 1 177 Tyr HA . 16583 4 145 2JN_HA . 1 1 178 178 GLU N N 15 1 . 1 1 178 178 GLU HA H 1 1 -0.31 . . 0.50 . . 1 178 Glu N 1 178 Glu HA . 16583 4 146 2JN_HA . 1 1 179 179 VAL N N 15 1 . 1 1 179 179 VAL HA H 1 1 1.32 . . 0.50 . . 1 179 Val N 1 179 Val HA . 16583 4 147 2JN_HA . 1 1 180 180 ALA N N 15 1 . 1 1 180 180 ALA HA H 1 1 0.84 . . 0.50 . . 1 180 Ala N 1 180 Ala HA . 16583 4 148 2JN_HA . 1 1 181 181 LEU N N 15 1 . 1 1 181 181 LEU HA H 1 1 1.63 . . 0.50 . . 1 181 Leu N 1 181 Leu HA . 16583 4 149 2JN_HA . 1 1 182 182 THR N N 15 1 . 1 1 182 182 THR HA H 1 1 1.19 . . 0.50 . . 1 182 Thr N 1 182 Thr HA . 16583 4 150 2JN_HA . 1 1 183 183 VAL N N 15 1 . 1 1 183 183 VAL HA H 1 1 2.09 . . 0.50 . . 1 183 Val N 1 183 Val HA . 16583 4 151 2JN_HA . 1 1 184 184 GLU N N 15 1 . 1 1 184 184 GLU HA H 1 1 1.34 . . 0.50 . . 1 184 Glu N 1 184 Glu HA . 16583 4 152 2JN_HA . 1 1 186 186 TYR N N 15 1 . 1 1 186 186 TYR HA H 1 1 1.00 . . 0.50 . . 1 186 Tyr N 1 186 Tyr HA . 16583 4 153 2JN_HA . 1 1 187 187 GLN N N 15 1 . 1 1 187 187 GLN HA H 1 1 -0.17 . . 0.50 . . 1 187 Gln N 1 187 Gln HA . 16583 4 154 2JN_HA . 1 1 188 188 SER N N 15 1 . 1 1 188 188 SER HA H 1 1 1.33 . . 0.50 . . 1 188 Ser N 1 188 Ser HA . 16583 4 155 2JN_HA . 1 1 189 189 SER N N 15 1 . 1 1 189 189 SER HA H 1 1 1.56 . . 0.50 . . 1 189 Ser N 1 189 Ser HA . 16583 4 156 2JN_HA . 1 1 191 191 SER N N 15 1 . 1 1 191 191 SER HA H 1 1 1.77 . . 0.50 . . 1 191 Ser N 1 191 Ser HA . 16583 4 157 2JN_HA . 1 1 192 192 ALA N N 15 1 . 1 1 192 192 ALA HA H 1 1 1.07 . . 0.50 . . 1 192 Ala N 1 192 Ala HA . 16583 4 158 2JN_HA . 1 1 193 193 ASN N N 15 1 . 1 1 193 193 ASN HA H 1 1 2.03 . . 0.50 . . 1 193 Asn N 1 193 Asn HA . 16583 4 159 2JN_HA . 1 1 194 194 VAL N N 15 1 . 1 1 194 194 VAL HA H 1 1 1.34 . . 0.50 . . 1 194 Val N 1 194 Val HA . 16583 4 160 2JN_HA . 1 1 195 195 TYR N N 15 1 . 1 1 195 195 TYR HA H 1 1 1.58 . . 0.50 . . 1 195 Tyr N 1 195 Tyr HA . 16583 4 161 2JN_HA . 1 1 196 196 SER N N 15 1 . 1 1 196 196 SER HA H 1 1 1.42 . . 0.50 . . 1 196 Ser N 1 196 Ser HA . 16583 4 162 2JN_HA . 1 1 197 197 ASN N N 15 1 . 1 1 197 197 ASN HA H 1 1 1.55 . . 0.50 . . 1 197 Asn N 1 197 Asn HA . 16583 4 163 2JN_HA . 1 1 198 198 THR N N 15 1 . 1 1 198 198 THR HA H 1 1 1.45 . . 0.50 . . 1 198 Thr N 1 198 Thr HA . 16583 4 164 2JN_HA . 1 1 199 199 LEU N N 15 1 . 1 1 199 199 LEU HA H 1 1 1.52 . . 0.50 . . 1 199 Leu N 1 199 Leu HA . 16583 4 165 2JN_HA . 1 1 200 200 ARG N N 15 1 . 1 1 200 200 ARG HA H 1 1 0.85 . . 0.50 . . 1 200 Arg N 1 200 Arg HA . 16583 4 166 2JN_HA . 1 1 201 201 ILE N N 15 1 . 1 1 201 201 ILE HA H 1 1 2.01 . . 0.50 . . 1 201 Ile N 1 201 Ile HA . 16583 4 167 2JN_HA . 1 1 202 202 ASN N N 15 1 . 1 1 202 202 ASN HA H 1 1 0.75 . . 0.50 . . 1 202 Asn N 1 202 Asn HA . 16583 4 168 2JN_HA . 1 1 204 204 ASN N N 15 1 . 1 1 204 204 ASN HA H 1 1 1.16 . . 0.50 . . 1 204 Asn N 1 204 Asn HA . 16583 4 169 2JN_HA . 1 1 206 206 LEU N N 15 1 . 1 1 206 206 LEU HA H 1 1 1.41 . . 0.50 . . 1 206 Leu N 1 206 Leu HA . 16583 4 170 2JN_HA . 1 1 207 207 SER N N 15 1 . 1 1 207 207 SER HA H 1 1 1.10 . . 0.50 . . 1 207 Ser N 1 207 Ser HA . 16583 4 stop_ save_ save_2JHaCO _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 2JHaCO _Coupling_constant_list.Entry_ID 16583 _Coupling_constant_list.ID 5 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 900 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 7 '2D CO-coupled ct-[13C,1H]-HSQC' . . . 16583 5 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 2JHACO . 1 1 2 2 ILE HA H 1 1 . 1 1 2 2 ILE C C 13 1 -2.41 . . 0.50 . . 1 2 Ile Ha 1 2 Ile C . 16583 5 2 2JHACO . 1 1 3 3 VAL HA H 1 1 . 1 1 3 3 VAL C C 13 1 -3.73 . . 0.50 . . 1 3 Val Ha 1 3 Val C . 16583 5 3 2JHACO . 1 1 4 4 THR HA H 1 1 . 1 1 4 4 THR C C 13 1 -5.28 . . 0.50 . . 1 4 Thr Ha 1 4 Thr C . 16583 5 4 2JHACO . 1 1 5 5 ASP HA H 1 1 . 1 1 5 5 ASP C C 13 1 -3.02 . . 0.50 . . 1 5 Asp Ha 1 5 Asp C . 16583 5 5 2JHACO . 1 1 7 7 SER HA H 1 1 . 1 1 7 7 SER C C 13 1 -4.75 . . 0.50 . . 1 7 Ser Ha 1 7 Ser C . 16583 5 6 2JHACO . 1 1 8 8 ILE HA H 1 1 . 1 1 8 8 ILE C C 13 1 -4.83 . . 0.50 . . 1 8 Ile Ha 1 8 Ile C . 16583 5 7 2JHACO . 1 1 10 10 ASN HA H 1 1 . 1 1 10 10 ASN C C 13 1 -3.71 . . 0.50 . . 1 10 Asn Ha 1 10 Asn C . 16583 5 8 2JHACO . 1 1 11 11 HIS HA H 1 1 . 1 1 11 11 HIS C C 13 1 -6.56 . . 0.50 . . 1 11 His Ha 1 11 His C . 16583 5 9 2JHACO . 1 1 12 12 ASP HA H 1 1 . 1 1 12 12 ASP C C 13 1 -5.48 . . 0.50 . . 1 12 Asp Ha 1 12 Asp C . 16583 5 10 2JHACO . 1 1 14 14 TYR HA H 1 1 . 1 1 14 14 TYR C C 13 1 -3.37 . . 0.50 . . 1 14 Tyr Ha 1 14 Tyr C . 16583 5 11 2JHACO . 1 1 15 15 ASP HA H 1 1 . 1 1 15 15 ASP C C 13 1 -4.02 . . 0.50 . . 1 15 Asp Ha 1 15 Asp C . 16583 5 12 2JHACO . 1 1 16 16 TYR HA H 1 1 . 1 1 16 16 TYR C C 13 1 -5.06 . . 0.50 . . 1 16 Tyr Ha 1 16 Tyr C . 16583 5 13 2JHACO . 1 1 17 17 GLU HA H 1 1 . 1 1 17 17 GLU C C 13 1 -3.19 . . 0.50 . . 1 17 Glu Ha 1 17 Glu C . 16583 5 14 2JHACO . 1 1 19 19 TRP HA H 1 1 . 1 1 19 19 TRP C C 13 1 -0.61 . . 0.50 . . 1 19 Trp Ha 1 19 Trp C . 16583 5 15 2JHACO . 1 1 21 21 ASP HA H 1 1 . 1 1 21 21 ASP C C 13 1 -5.36 . . 0.50 . . 1 21 Asp Ha 1 21 Asp C . 16583 5 16 2JHACO . 1 1 22 22 SER HA H 1 1 . 1 1 22 22 SER C C 13 1 -1.31 . . 0.50 . . 1 22 Ser Ha 1 22 Ser C . 16583 5 17 2JHACO . 1 1 28 28 MET HA H 1 1 . 1 1 28 28 MET C C 13 1 -4.57 . . 0.50 . . 1 28 Met Ha 1 28 Met C . 16583 5 18 2JHACO . 1 1 30 30 LEU HA H 1 1 . 1 1 30 30 LEU C C 13 1 -2.39 . . 0.50 . . 1 30 Leu Ha 1 30 Leu C . 16583 5 19 2JHACO . 1 1 31 31 ASN HA H 1 1 . 1 1 31 31 ASN C C 13 1 -4.50 . . 0.50 . . 1 31 Asn Ha 1 31 Asn C . 16583 5 20 2JHACO . 1 1 36 36 PHE HA H 1 1 . 1 1 36 36 PHE C C 13 1 -5.62 . . 0.50 . . 1 36 Phe Ha 1 36 Phe C . 16583 5 21 2JHACO . 1 1 37 37 SER HA H 1 1 . 1 1 37 37 SER C C 13 1 -6.64 . . 0.50 . . 1 37 Ser Ha 1 37 Ser C . 16583 5 22 2JHACO . 1 1 38 38 ALA HA H 1 1 . 1 1 38 38 ALA C C 13 1 -2.45 . . 0.50 . . 1 38 Ala Ha 1 38 Ala C . 16583 5 23 2JHACO . 1 1 39 39 GLN HA H 1 1 . 1 1 39 39 GLN C C 13 1 -5.48 . . 0.50 . . 1 39 Gln Ha 1 39 Gln C . 16583 5 24 2JHACO . 1 1 40 40 TRP HA H 1 1 . 1 1 40 40 TRP C C 13 1 -5.15 . . 0.50 . . 1 40 Trp Ha 1 40 Trp C . 16583 5 25 2JHACO . 1 1 41 41 ASN HA H 1 1 . 1 1 41 41 ASN C C 13 1 -4.42 . . 0.50 . . 1 41 Asn Ha 1 41 Asn C . 16583 5 26 2JHACO . 1 1 42 42 ASN HA H 1 1 . 1 1 42 42 ASN C C 13 1 -5.41 . . 0.50 . . 1 42 Asn Ha 1 42 Asn C . 16583 5 27 2JHACO . 1 1 44 44 ASN HA H 1 1 . 1 1 44 44 ASN C C 13 1 -4.62 . . 0.50 . . 1 44 Asn Ha 1 44 Asn C . 16583 5 28 2JHACO . 1 1 45 45 ASN HA H 1 1 . 1 1 45 45 ASN C C 13 1 -5.61 . . 0.50 . . 1 45 Asn Ha 1 45 Asn C . 16583 5 29 2JHACO . 1 1 46 46 ILE HA H 1 1 . 1 1 46 46 ILE C C 13 1 -4.28 . . 0.50 . . 1 46 Ile Ha 1 46 Ile C . 16583 5 30 2JHACO . 1 1 47 47 LEU HA H 1 1 . 1 1 47 47 LEU C C 13 1 -0.81 . . 0.50 . . 1 47 Leu Ha 1 47 Leu C . 16583 5 31 2JHACO . 1 1 49 49 ARG HA H 1 1 . 1 1 49 49 ARG C C 13 1 -4.55 . . 0.50 . . 1 49 Arg Ha 1 49 Arg C . 16583 5 32 2JHACO . 1 1 50 50 LYS HA H 1 1 . 1 1 50 50 LYS C C 13 1 -7.91 . . 0.50 . . 1 50 Lys Ha 1 50 Lys C . 16583 5 33 2JHACO . 1 1 56 56 GLU HA H 1 1 . 1 1 56 56 GLU C C 13 1 -7.32 . . 0.50 . . 1 56 Glu Ha 1 56 Glu C . 16583 5 34 2JHACO . 1 1 59 59 THR HA H 1 1 . 1 1 59 59 THR C C 13 1 -4.91 . . 0.50 . . 1 59 Thr Ha 1 59 Thr C . 16583 5 35 2JHACO . 1 1 60 60 HIS HA H 1 1 . 1 1 60 60 HIS C C 13 1 -4.34 . . 0.50 . . 1 60 His Ha 1 60 His C . 16583 5 36 2JHACO . 1 1 61 61 GLN HA H 1 1 . 1 1 61 61 GLN C C 13 1 -4.00 . . 0.50 . . 1 61 Gln Ha 1 61 Gln C . 16583 5 37 2JHACO . 1 1 63 63 VAL HA H 1 1 . 1 1 63 63 VAL C C 13 1 -5.54 . . 0.50 . . 1 63 Val Ha 1 63 Val C . 16583 5 38 2JHACO . 1 1 65 65 ASN HA H 1 1 . 1 1 65 65 ASN C C 13 1 -2.30 . . 0.50 . . 1 65 Asn Ha 1 65 Asn C . 16583 5 39 2JHACO . 1 1 66 66 MET HA H 1 1 . 1 1 66 66 MET C C 13 1 -4.48 . . 0.50 . . 1 66 Met Ha 1 66 Met C . 16583 5 40 2JHACO . 1 1 67 67 SER HA H 1 1 . 1 1 67 67 SER C C 13 1 -3.88 . . 0.50 . . 1 67 Ser Ha 1 67 Ser C . 16583 5 41 2JHACO . 1 1 68 68 ILE HA H 1 1 . 1 1 68 68 ILE C C 13 1 -4.24 . . 0.50 . . 1 68 Ile Ha 1 68 Ile C . 16583 5 42 2JHACO . 1 1 69 69 ASN HA H 1 1 . 1 1 69 69 ASN C C 13 1 -3.70 . . 0.50 . . 1 69 Asn Ha 1 69 Asn C . 16583 5 43 2JHACO . 1 1 70 70 TYR HA H 1 1 . 1 1 70 70 TYR C C 13 1 -4.80 . . 0.50 . . 1 70 Tyr Ha 1 70 Tyr C . 16583 5 44 2JHACO . 1 1 72 72 ALA HA H 1 1 . 1 1 72 72 ALA C C 13 1 -4.30 . . 0.50 . . 1 72 Ala Ha 1 72 Ala C . 16583 5 45 2JHACO . 1 1 73 73 ASN HA H 1 1 . 1 1 73 73 ASN C C 13 1 -3.73 . . 0.50 . . 1 73 Asn Ha 1 73 Asn C . 16583 5 46 2JHACO . 1 1 74 74 PHE HA H 1 1 . 1 1 74 74 PHE C C 13 1 -3.83 . . 0.50 . . 1 74 Phe Ha 1 74 Phe C . 16583 5 47 2JHACO . 1 1 76 76 PRO HA H 1 1 . 1 1 76 76 PRO C C 13 1 -1.90 . . 0.50 . . 1 76 Pro Ha 1 76 Pro C . 16583 5 48 2JHACO . 1 1 80 80 ALA HA H 1 1 . 1 1 80 80 ALA C C 13 1 -3.99 . . 0.50 . . 1 80 Ala Ha 1 80 Ala C . 16583 5 49 2JHACO . 1 1 81 81 TYR HA H 1 1 . 1 1 81 81 TYR C C 13 1 -5.25 . . 0.50 . . 1 81 Tyr Ha 1 81 Tyr C . 16583 5 50 2JHACO . 1 1 83 83 CYS HA H 1 1 . 1 1 83 83 CYS C C 13 1 -6.03 . . 0.50 . . 1 83 Cys Ha 1 83 Cys C . 16583 5 51 2JHACO . 1 1 84 84 VAL HA H 1 1 . 1 1 84 84 VAL C C 13 1 -3.91 . . 0.50 . . 1 84 Val Ha 1 84 Val C . 16583 5 52 2JHACO . 1 1 85 85 TYR HA H 1 1 . 1 1 85 85 TYR C C 13 1 -3.09 . . 0.50 . . 1 85 Tyr Ha 1 85 Tyr C . 16583 5 53 2JHACO . 1 1 87 87 TRP HA H 1 1 . 1 1 87 87 TRP C C 13 1 -4.47 . . 0.50 . . 1 87 Trp Ha 1 87 Trp C . 16583 5 54 2JHACO . 1 1 88 88 THR HA H 1 1 . 1 1 88 88 THR C C 13 1 -5.82 . . 0.50 . . 1 88 Thr Ha 1 88 Thr C . 16583 5 55 2JHACO . 1 1 89 89 VAL HA H 1 1 . 1 1 89 89 VAL C C 13 1 -2.59 . . 0.50 . . 1 89 Val Ha 1 89 Val C . 16583 5 56 2JHACO . 1 1 90 90 ASP HA H 1 1 . 1 1 90 90 ASP C C 13 1 -5.52 . . 0.50 . . 1 90 Asp Ha 1 90 Asp C . 16583 5 57 2JHACO . 1 1 91 91 PRO HA H 1 1 . 1 1 91 91 PRO C C 13 1 -1.67 . . 0.50 . . 1 91 Pro Ha 1 91 Pro C . 16583 5 58 2JHACO . 1 1 93 93 VAL HA H 1 1 . 1 1 93 93 VAL C C 13 1 -3.82 . . 0.50 . . 1 93 Val Ha 1 93 Val C . 16583 5 59 2JHACO . 1 1 95 95 TYR HA H 1 1 . 1 1 95 95 TYR C C 13 1 -6.07 . . 0.50 . . 1 95 Tyr Ha 1 95 Tyr C . 16583 5 60 2JHACO . 1 1 96 96 TYR HA H 1 1 . 1 1 96 96 TYR C C 13 1 -6.23 . . 0.50 . . 1 96 Tyr Ha 1 96 Tyr C . 16583 5 61 2JHACO . 1 1 97 97 ILE HA H 1 1 . 1 1 97 97 ILE C C 13 1 -4.71 . . 0.50 . . 1 97 Ile Ha 1 97 Ile C . 16583 5 62 2JHACO . 1 1 98 98 VAL HA H 1 1 . 1 1 98 98 VAL C C 13 1 -5.73 . . 0.50 . . 1 98 Val Ha 1 98 Val C . 16583 5 63 2JHACO . 1 1 99 99 ASP HA H 1 1 . 1 1 99 99 ASP C C 13 1 -6.32 . . 0.50 . . 1 99 Asp Ha 1 99 Asp C . 16583 5 64 2JHACO . 1 1 100 100 SER HA H 1 1 . 1 1 100 100 SER C C 13 1 -5.23 . . 0.50 . . 1 100 Ser Ha 1 100 Ser C . 16583 5 65 2JHACO . 1 1 101 101 TRP HA H 1 1 . 1 1 101 101 TRP C C 13 1 -5.50 . . 0.50 . . 1 101 Trp Ha 1 101 Trp C . 16583 5 66 2JHACO . 1 1 103 103 ASN HA H 1 1 . 1 1 103 103 ASN C C 13 1 -4.04 . . 0.50 . . 1 103 Asn Ha 1 103 Asn C . 16583 5 67 2JHACO . 1 1 104 104 TRP HA H 1 1 . 1 1 104 104 TRP C C 13 1 -3.85 . . 0.50 . . 1 104 Trp Ha 1 104 Trp C . 16583 5 68 2JHACO . 1 1 105 105 ARG HA H 1 1 . 1 1 105 105 ARG C C 13 1 -1.87 . . 0.50 . . 1 105 Arg Ha 1 105 Arg C . 16583 5 69 2JHACO . 1 1 107 107 PRO HA H 1 1 . 1 1 107 107 PRO C C 13 1 -3.25 . . 0.50 . . 1 107 Pro Ha 1 107 Pro C . 16583 5 70 2JHACO . 1 1 109 109 ALA HA H 1 1 . 1 1 109 109 ALA C C 13 1 -4.70 . . 0.50 . . 1 109 Ala Ha 1 109 Ala C . 16583 5 71 2JHACO . 1 1 110 110 THR HA H 1 1 . 1 1 110 110 THR C C 13 1 -3.99 . . 0.50 . . 1 110 Thr Ha 1 110 Thr C . 16583 5 72 2JHACO . 1 1 112 112 LYS HA H 1 1 . 1 1 112 112 LYS C C 13 1 -6.44 . . 0.50 . . 1 112 Lys Ha 1 112 Lys C . 16583 5 73 2JHACO . 1 1 114 114 THR HA H 1 1 . 1 1 114 114 THR C C 13 1 -5.13 . . 0.50 . . 1 114 Thr Ha 1 114 Thr C . 16583 5 74 2JHACO . 1 1 115 115 ILE HA H 1 1 . 1 1 115 115 ILE C C 13 1 -4.72 . . 0.50 . . 1 115 Ile Ha 1 115 Ile C . 16583 5 75 2JHACO . 1 1 117 117 VAL HA H 1 1 . 1 1 117 117 VAL C C 13 1 -3.86 . . 0.50 . . 1 117 Val Ha 1 117 Val C . 16583 5 76 2JHACO . 1 1 118 118 ASP HA H 1 1 . 1 1 118 118 ASP C C 13 1 -6.43 . . 0.50 . . 1 118 Asp Ha 1 118 Asp C . 16583 5 77 2JHACO . 1 1 121 121 THR HA H 1 1 . 1 1 121 121 THR C C 13 1 -4.77 . . 0.50 . . 1 121 Thr Ha 1 121 Thr C . 16583 5 78 2JHACO . 1 1 122 122 TYR HA H 1 1 . 1 1 122 122 TYR C C 13 1 -3.69 . . 0.50 . . 1 122 Tyr Ha 1 122 Tyr C . 16583 5 79 2JHACO . 1 1 124 124 ILE HA H 1 1 . 1 1 124 124 ILE C C 13 1 -4.20 . . 0.50 . . 1 124 Ile Ha 1 124 Ile C . 16583 5 80 2JHACO . 1 1 126 126 GLU HA H 1 1 . 1 1 126 126 GLU C C 13 1 -3.67 . . 0.50 . . 1 126 Glu Ha 1 126 Glu C . 16583 5 81 2JHACO . 1 1 127 127 THR HA H 1 1 . 1 1 127 127 THR C C 13 1 -6.80 . . 0.50 . . 1 127 Thr Ha 1 127 Thr C . 16583 5 82 2JHACO . 1 1 128 128 LEU HA H 1 1 . 1 1 128 128 LEU C C 13 1 -4.72 . . 0.50 . . 1 128 Leu Ha 1 128 Leu C . 16583 5 83 2JHACO . 1 1 129 129 ARG HA H 1 1 . 1 1 129 129 ARG C C 13 1 -2.61 . . 0.50 . . 1 129 Arg Ha 1 129 Arg C . 16583 5 84 2JHACO . 1 1 130 130 VAL HA H 1 1 . 1 1 130 130 VAL C C 13 1 -3.23 . . 0.50 . . 1 130 Val Ha 1 130 Val C . 16583 5 85 2JHACO . 1 1 135 135 ILE HA H 1 1 . 1 1 135 135 ILE C C 13 1 -3.65 . . 0.50 . . 1 135 Ile Ha 1 135 Ile C . 16583 5 86 2JHACO . 1 1 136 136 LYS HA H 1 1 . 1 1 136 136 LYS C C 13 1 -7.17 . . 0.50 . . 1 136 Lys Ha 1 136 Lys C . 16583 5 87 2JHACO . 1 1 138 138 ILE HA H 1 1 . 1 1 138 138 ILE C C 13 1 -2.51 . . 0.50 . . 1 138 Ile Ha 1 138 Ile C . 16583 5 88 2JHACO . 1 1 139 139 ALA HA H 1 1 . 1 1 139 139 ALA C C 13 1 -3.22 . . 0.50 . . 1 139 Ala Ha 1 139 Ala C . 16583 5 89 2JHACO . 1 1 140 140 THR HA H 1 1 . 1 1 140 140 THR C C 13 1 -3.55 . . 0.50 . . 1 140 Thr Ha 1 140 Thr C . 16583 5 90 2JHACO . 1 1 143 143 GLN HA H 1 1 . 1 1 143 143 GLN C C 13 1 -4.69 . . 0.50 . . 1 143 Gln Ha 1 143 Gln C . 16583 5 91 2JHACO . 1 1 144 144 TYR HA H 1 1 . 1 1 144 144 TYR C C 13 1 -4.88 . . 0.50 . . 1 144 Tyr Ha 1 144 Tyr C . 16583 5 92 2JHACO . 1 1 145 145 TRP HA H 1 1 . 1 1 145 145 TRP C C 13 1 -4.57 . . 0.50 . . 1 145 Trp Ha 1 145 Trp C . 16583 5 93 2JHACO . 1 1 146 146 SER HA H 1 1 . 1 1 146 146 SER C C 13 1 -3.68 . . 0.50 . . 1 146 Ser Ha 1 146 Ser C . 16583 5 94 2JHACO . 1 1 147 147 VAL HA H 1 1 . 1 1 147 147 VAL C C 13 1 -3.07 . . 0.50 . . 1 147 Val Ha 1 147 Val C . 16583 5 95 2JHACO . 1 1 151 151 LYS HA H 1 1 . 1 1 151 151 LYS C C 13 1 -1.82 . . 0.50 . . 1 151 Lys Ha 1 151 Lys C . 16583 5 96 2JHACO . 1 1 156 156 THR HA H 1 1 . 1 1 156 156 THR C C 13 1 -4.72 . . 0.50 . . 1 156 Thr Ha 1 156 Thr C . 16583 5 97 2JHACO . 1 1 157 157 ILE HA H 1 1 . 1 1 157 157 ILE C C 13 1 -4.91 . . 0.50 . . 1 157 Ile Ha 1 157 Ile C . 16583 5 98 2JHACO . 1 1 158 158 SER HA H 1 1 . 1 1 158 158 SER C C 13 1 -6.44 . . 0.50 . . 1 158 Ser Ha 1 158 Ser C . 16583 5 99 2JHACO . 1 1 159 159 VAL HA H 1 1 . 1 1 159 159 VAL C C 13 1 -6.13 . . 0.50 . . 1 159 Val Ha 1 159 Val C . 16583 5 100 2JHACO . 1 1 161 161 ASN HA H 1 1 . 1 1 161 161 ASN C C 13 1 -4.89 . . 0.50 . . 1 161 Asn Ha 1 161 Asn C . 16583 5 101 2JHACO . 1 1 162 162 HIS HA H 1 1 . 1 1 162 162 HIS C C 13 1 -5.24 . . 0.50 . . 1 162 His Ha 1 162 His C . 16583 5 102 2JHACO . 1 1 164 164 ARG HA H 1 1 . 1 1 164 164 ARG C C 13 1 -1.96 . . 0.50 . . 1 164 Arg Ha 1 164 Arg C . 16583 5 103 2JHACO . 1 1 165 165 ALA HA H 1 1 . 1 1 165 165 ALA C C 13 1 -4.79 . . 0.50 . . 1 165 Ala Ha 1 165 Ala C . 16583 5 104 2JHACO . 1 1 166 166 TRP HA H 1 1 . 1 1 166 166 TRP C C 13 1 -5.76 . . 0.50 . . 1 166 Trp Ha 1 166 Trp C . 16583 5 105 2JHACO . 1 1 167 167 GLU HA H 1 1 . 1 1 167 167 GLU C C 13 1 -5.77 . . 0.50 . . 1 167 Glu Ha 1 167 Glu C . 16583 5 106 2JHACO . 1 1 168 168 ASN HA H 1 1 . 1 1 168 168 ASN C C 13 1 -4.67 . . 0.50 . . 1 168 Asn Ha 1 168 Asn C . 16583 5 107 2JHACO . 1 1 175 175 LYS HA H 1 1 . 1 1 175 175 LYS C C 13 1 -5.60 . . 0.50 . . 1 175 Lys Ha 1 175 Lys C . 16583 5 108 2JHACO . 1 1 176 176 MET HA H 1 1 . 1 1 176 176 MET C C 13 1 -4.61 . . 0.50 . . 1 176 Met Ha 1 176 Met C . 16583 5 109 2JHACO . 1 1 177 177 TYR HA H 1 1 . 1 1 177 177 TYR C C 13 1 -7.12 . . 0.50 . . 1 177 Tyr Ha 1 177 Tyr C . 16583 5 110 2JHACO . 1 1 178 178 GLU HA H 1 1 . 1 1 178 178 GLU C C 13 1 -4.72 . . 0.50 . . 1 178 Glu Ha 1 178 Glu C . 16583 5 111 2JHACO . 1 1 179 179 VAL HA H 1 1 . 1 1 179 179 VAL C C 13 1 -6.24 . . 0.50 . . 1 179 Val Ha 1 179 Val C . 16583 5 112 2JHACO . 1 1 180 180 ALA HA H 1 1 . 1 1 180 180 ALA C C 13 1 -6.62 . . 0.50 . . 1 180 Ala Ha 1 180 Ala C . 16583 5 113 2JHACO . 1 1 182 182 THR HA H 1 1 . 1 1 182 182 THR C C 13 1 -3.96 . . 0.50 . . 1 182 Thr Ha 1 182 Thr C . 16583 5 114 2JHACO . 1 1 183 183 VAL HA H 1 1 . 1 1 183 183 VAL C C 13 1 -4.27 . . 0.50 . . 1 183 Val Ha 1 183 Val C . 16583 5 115 2JHACO . 1 1 186 186 TYR HA H 1 1 . 1 1 186 186 TYR C C 13 1 -4.47 . . 0.50 . . 1 186 Tyr Ha 1 186 Tyr C . 16583 5 116 2JHACO . 1 1 187 187 GLN HA H 1 1 . 1 1 187 187 GLN C C 13 1 -2.76 . . 0.50 . . 1 187 Gln Ha 1 187 Gln C . 16583 5 117 2JHACO . 1 1 189 189 SER HA H 1 1 . 1 1 189 189 SER C C 13 1 -6.33 . . 0.50 . . 1 189 Ser Ha 1 189 Ser C . 16583 5 118 2JHACO . 1 1 192 192 ALA HA H 1 1 . 1 1 192 192 ALA C C 13 1 -5.53 . . 0.50 . . 1 192 Ala Ha 1 192 Ala C . 16583 5 119 2JHACO . 1 1 193 193 ASN HA H 1 1 . 1 1 193 193 ASN C C 13 1 -2.20 . . 0.50 . . 1 193 Asn Ha 1 193 Asn C . 16583 5 120 2JHACO . 1 1 194 194 VAL HA H 1 1 . 1 1 194 194 VAL C C 13 1 -2.52 . . 0.50 . . 1 194 Val Ha 1 194 Val C . 16583 5 121 2JHACO . 1 1 196 196 SER HA H 1 1 . 1 1 196 196 SER C C 13 1 -4.24 . . 0.50 . . 1 196 Ser Ha 1 196 Ser C . 16583 5 122 2JHACO . 1 1 197 197 ASN HA H 1 1 . 1 1 197 197 ASN C C 13 1 -5.33 . . 0.50 . . 1 197 Asn Ha 1 197 Asn C . 16583 5 123 2JHACO . 1 1 198 198 THR HA H 1 1 . 1 1 198 198 THR C C 13 1 -3.36 . . 0.50 . . 1 198 Thr Ha 1 198 Thr C . 16583 5 124 2JHACO . 1 1 199 199 LEU HA H 1 1 . 1 1 199 199 LEU C C 13 1 -2.08 . . 0.50 . . 1 199 Leu Ha 1 199 Leu C . 16583 5 125 2JHACO . 1 1 200 200 ARG HA H 1 1 . 1 1 200 200 ARG C C 13 1 -4.38 . . 0.50 . . 1 200 Arg Ha 1 200 Arg C . 16583 5 126 2JHACO . 1 1 201 201 ILE HA H 1 1 . 1 1 201 201 ILE C C 13 1 -3.38 . . 0.50 . . 1 201 Ile Ha 1 201 Ile C . 16583 5 127 2JHACO . 1 1 204 204 ASN HA H 1 1 . 1 1 204 204 ASN C C 13 1 -2.94 . . 0.50 . . 1 204 Asn Ha 1 204 Asn C . 16583 5 128 2JHACO . 1 1 206 206 LEU HA H 1 1 . 1 1 206 206 LEU C C 13 1 -3.41 . . 0.50 . . 1 206 Leu Ha 1 206 Leu C . 16583 5 129 2JHACO . 1 1 207 207 SER HA H 1 1 . 1 1 207 207 SER C C 13 1 -6.33 . . 0.50 . . 1 207 Ser Ha 1 207 Ser C . 16583 5 stop_ save_ save_2JHaCb _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode 2JHaCb _Coupling_constant_list.Entry_ID 16583 _Coupling_constant_list.ID 6 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 950 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID 6 '2D Cb-coupled [13C,1H]-HSQC' . . . 16583 6 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 2JHACB . 1 1 2 2 ILE HA H 1 1 . 1 1 2 2 ILE CB C 13 1 -5.69 . . 0.50 . . 1 2 Ile Ha 1 2 Ile Cb . 16583 6 2 2JHACB . 1 1 5 5 ASP HA H 1 1 . 1 1 5 5 ASP CB C 13 1 -4.83 . . 0.50 . . 1 5 Asp Ha 1 5 Asp Cb . 16583 6 3 2JHACB . 1 1 10 10 ASN HA H 1 1 . 1 1 10 10 ASN CB C 13 1 -3.76 . . 0.50 . . 1 10 Asn Ha 1 10 Asn Cb . 16583 6 4 2JHACB . 1 1 12 12 ASP HA H 1 1 . 1 1 12 12 ASP CB C 13 1 -4.68 . . 0.50 . . 1 12 Asp Ha 1 12 Asp Cb . 16583 6 5 2JHACB . 1 1 14 14 TYR HA H 1 1 . 1 1 14 14 TYR CB C 13 1 -0.57 . . 0.50 . . 1 14 Tyr Ha 1 14 Tyr Cb . 16583 6 6 2JHACB . 1 1 15 15 ASP HA H 1 1 . 1 1 15 15 ASP CB C 13 1 -6.72 . . 0.50 . . 1 15 Asp Ha 1 15 Asp Cb . 16583 6 7 2JHACB . 1 1 16 16 TYR HA H 1 1 . 1 1 16 16 TYR CB C 13 1 -4.48 . . 0.50 . . 1 16 Tyr Ha 1 16 Tyr Cb . 16583 6 8 2JHACB . 1 1 21 21 ASP HA H 1 1 . 1 1 21 21 ASP CB C 13 1 -5.37 . . 0.50 . . 1 21 Asp Ha 1 21 Asp Cb . 16583 6 9 2JHACB . 1 1 28 28 MET HA H 1 1 . 1 1 28 28 MET CB C 13 1 -6.21 . . 0.50 . . 1 28 Met Ha 1 28 Met Cb . 16583 6 10 2JHACB . 1 1 29 29 ILE HA H 1 1 . 1 1 29 29 ILE CB C 13 1 -10.77 . . 0.50 . . 1 29 Ile Ha 1 29 Ile Cb . 16583 6 11 2JHACB . 1 1 30 30 LEU HA H 1 1 . 1 1 30 30 LEU CB C 13 1 0.83 . . 0.50 . . 1 30 Leu Ha 1 30 Leu Cb . 16583 6 12 2JHACB . 1 1 31 31 ASN HA H 1 1 . 1 1 31 31 ASN CB C 13 1 -2.91 . . 0.50 . . 1 31 Asn Ha 1 31 Asn Cb . 16583 6 13 2JHACB . 1 1 32 32 HIS HA H 1 1 . 1 1 32 32 HIS CB C 13 1 -11.03 . . 0.50 . . 1 32 His Ha 1 32 His Cb . 16583 6 14 2JHACB . 1 1 36 36 PHE HA H 1 1 . 1 1 36 36 PHE CB C 13 1 -5.50 . . 0.50 . . 1 36 Phe Ha 1 36 Phe Cb . 16583 6 15 2JHACB . 1 1 38 38 ALA HA H 1 1 . 1 1 38 38 ALA CB C 13 1 -6.68 . . 0.50 . . 1 38 Ala Ha 1 38 Ala Cb . 16583 6 16 2JHACB . 1 1 40 40 TRP HA H 1 1 . 1 1 40 40 TRP CB C 13 1 -4.87 . . 0.50 . . 1 40 Trp Ha 1 40 Trp Cb . 16583 6 17 2JHACB . 1 1 41 41 ASN HA H 1 1 . 1 1 41 41 ASN CB C 13 1 -5.45 . . 0.50 . . 1 41 Asn Ha 1 41 Asn Cb . 16583 6 18 2JHACB . 1 1 42 42 ASN HA H 1 1 . 1 1 42 42 ASN CB C 13 1 -2.77 . . 0.50 . . 1 42 Asn Ha 1 42 Asn Cb . 16583 6 19 2JHACB . 1 1 45 45 ASN HA H 1 1 . 1 1 45 45 ASN CB C 13 1 -5.43 . . 0.50 . . 1 45 Asn Ha 1 45 Asn Cb . 16583 6 20 2JHACB . 1 1 46 46 ILE HA H 1 1 . 1 1 46 46 ILE CB C 13 1 -3.41 . . 0.50 . . 1 46 Ile Ha 1 46 Ile Cb . 16583 6 21 2JHACB . 1 1 49 49 ARG HA H 1 1 . 1 1 49 49 ARG CB C 13 1 -4.09 . . 0.50 . . 1 49 Arg Ha 1 49 Arg Cb . 16583 6 22 2JHACB . 1 1 50 50 LYS HA H 1 1 . 1 1 50 50 LYS CB C 13 1 -11.35 . . 0.50 . . 1 50 Lys Ha 1 50 Lys Cb . 16583 6 23 2JHACB . 1 1 55 55 ASN HA H 1 1 . 1 1 55 55 ASN CB C 13 1 -5.52 . . 0.50 . . 1 55 Asn Ha 1 55 Asn Cb . 16583 6 24 2JHACB . 1 1 56 56 GLU HA H 1 1 . 1 1 56 56 GLU CB C 13 1 -6.78 . . 0.50 . . 1 56 Glu Ha 1 56 Glu Cb . 16583 6 25 2JHACB . 1 1 60 60 HIS HA H 1 1 . 1 1 60 60 HIS CB C 13 1 -1.60 . . 0.50 . . 1 60 His Ha 1 60 His Cb . 16583 6 26 2JHACB . 1 1 61 61 GLN HA H 1 1 . 1 1 61 61 GLN CB C 13 1 -4.86 . . 0.50 . . 1 61 Gln Ha 1 61 Gln Cb . 16583 6 27 2JHACB . 1 1 63 63 VAL HA H 1 1 . 1 1 63 63 VAL CB C 13 1 -5.20 . . 0.50 . . 1 63 Val Ha 1 63 Val Cb . 16583 6 28 2JHACB . 1 1 65 65 ASN HA H 1 1 . 1 1 65 65 ASN CB C 13 1 -5.40 . . 0.50 . . 1 65 Asn Ha 1 65 Asn Cb . 16583 6 29 2JHACB . 1 1 66 66 MET HA H 1 1 . 1 1 66 66 MET CB C 13 1 -2.95 . . 0.50 . . 1 66 Met Ha 1 66 Met Cb . 16583 6 30 2JHACB . 1 1 68 68 ILE HA H 1 1 . 1 1 68 68 ILE CB C 13 1 -3.68 . . 0.50 . . 1 68 Ile Ha 1 68 Ile Cb . 16583 6 31 2JHACB . 1 1 69 69 ASN HA H 1 1 . 1 1 69 69 ASN CB C 13 1 -3.68 . . 0.50 . . 1 69 Asn Ha 1 69 Asn Cb . 16583 6 32 2JHACB . 1 1 70 70 TYR HA H 1 1 . 1 1 70 70 TYR CB C 13 1 -4.96 . . 0.50 . . 1 70 Tyr Ha 1 70 Tyr Cb . 16583 6 33 2JHACB . 1 1 72 72 ALA HA H 1 1 . 1 1 72 72 ALA CB C 13 1 -5.15 . . 0.50 . . 1 72 Ala Ha 1 72 Ala Cb . 16583 6 34 2JHACB . 1 1 73 73 ASN HA H 1 1 . 1 1 73 73 ASN CB C 13 1 -7.48 . . 0.50 . . 1 73 Asn Ha 1 73 Asn Cb . 16583 6 35 2JHACB . 1 1 76 76 PRO HA H 1 1 . 1 1 76 76 PRO CB C 13 1 -3.46 . . 0.50 . . 1 76 Pro Ha 1 76 Pro Cb . 16583 6 36 2JHACB . 1 1 80 80 ALA HA H 1 1 . 1 1 80 80 ALA CB C 13 1 -8.79 . . 0.50 . . 1 80 Ala Ha 1 80 Ala Cb . 16583 6 37 2JHACB . 1 1 81 81 TYR HA H 1 1 . 1 1 81 81 TYR CB C 13 1 -6.48 . . 0.50 . . 1 81 Tyr Ha 1 81 Tyr Cb . 16583 6 38 2JHACB . 1 1 83 83 CYS HA H 1 1 . 1 1 83 83 CYS CB C 13 1 -3.05 . . 0.50 . . 1 83 Cys Ha 1 83 Cys Cb . 16583 6 39 2JHACB . 1 1 84 84 VAL HA H 1 1 . 1 1 84 84 VAL CB C 13 1 -2.35 . . 0.50 . . 1 84 Val Ha 1 84 Val Cb . 16583 6 40 2JHACB . 1 1 85 85 TYR HA H 1 1 . 1 1 85 85 TYR CB C 13 1 -1.99 . . 0.50 . . 1 85 Tyr Ha 1 85 Tyr Cb . 16583 6 41 2JHACB . 1 1 87 87 TRP HA H 1 1 . 1 1 87 87 TRP CB C 13 1 -4.68 . . 0.50 . . 1 87 Trp Ha 1 87 Trp Cb . 16583 6 42 2JHACB . 1 1 89 89 VAL HA H 1 1 . 1 1 89 89 VAL CB C 13 1 -5.95 . . 0.50 . . 1 89 Val Ha 1 89 Val Cb . 16583 6 43 2JHACB . 1 1 90 90 ASP HA H 1 1 . 1 1 90 90 ASP CB C 13 1 -4.96 . . 0.50 . . 1 90 Asp Ha 1 90 Asp Cb . 16583 6 44 2JHACB . 1 1 91 91 PRO HA H 1 1 . 1 1 91 91 PRO CB C 13 1 -2.76 . . 0.50 . . 1 91 Pro Ha 1 91 Pro Cb . 16583 6 45 2JHACB . 1 1 93 93 VAL HA H 1 1 . 1 1 93 93 VAL CB C 13 1 -3.84 . . 0.50 . . 1 93 Val Ha 1 93 Val Cb . 16583 6 46 2JHACB . 1 1 95 95 TYR HA H 1 1 . 1 1 95 95 TYR CB C 13 1 -4.49 . . 0.50 . . 1 95 Tyr Ha 1 95 Tyr Cb . 16583 6 47 2JHACB . 1 1 97 97 ILE HA H 1 1 . 1 1 97 97 ILE CB C 13 1 -4.38 . . 0.50 . . 1 97 Ile Ha 1 97 Ile Cb . 16583 6 48 2JHACB . 1 1 99 99 ASP HA H 1 1 . 1 1 99 99 ASP CB C 13 1 -4.65 . . 0.50 . . 1 99 Asp Ha 1 99 Asp Cb . 16583 6 49 2JHACB . 1 1 101 101 TRP HA H 1 1 . 1 1 101 101 TRP CB C 13 1 -4.41 . . 0.50 . . 1 101 Trp Ha 1 101 Trp Cb . 16583 6 50 2JHACB . 1 1 103 103 ASN HA H 1 1 . 1 1 103 103 ASN CB C 13 1 -9.42 . . 0.50 . . 1 103 Asn Ha 1 103 Asn Cb . 16583 6 51 2JHACB . 1 1 105 105 ARG HA H 1 1 . 1 1 105 105 ARG CB C 13 1 -4.24 . . 0.50 . . 1 105 Arg Ha 1 105 Arg Cb . 16583 6 52 2JHACB . 1 1 107 107 PRO HA H 1 1 . 1 1 107 107 PRO CB C 13 1 -3.70 . . 0.50 . . 1 107 Pro Ha 1 107 Pro Cb . 16583 6 53 2JHACB . 1 1 109 109 ALA HA H 1 1 . 1 1 109 109 ALA CB C 13 1 -4.87 . . 0.50 . . 1 109 Ala Ha 1 109 Ala Cb . 16583 6 54 2JHACB . 1 1 115 115 ILE HA H 1 1 . 1 1 115 115 ILE CB C 13 1 -4.77 . . 0.50 . . 1 115 Ile Ha 1 115 Ile Cb . 16583 6 55 2JHACB . 1 1 117 117 VAL HA H 1 1 . 1 1 117 117 VAL CB C 13 1 -3.39 . . 0.50 . . 1 117 Val Ha 1 117 Val Cb . 16583 6 56 2JHACB . 1 1 118 118 ASP HA H 1 1 . 1 1 118 118 ASP CB C 13 1 -6.99 . . 0.50 . . 1 118 Asp Ha 1 118 Asp Cb . 16583 6 57 2JHACB . 1 1 122 122 TYR HA H 1 1 . 1 1 122 122 TYR CB C 13 1 -2.22 . . 0.50 . . 1 122 Tyr Ha 1 122 Tyr Cb . 16583 6 58 2JHACB . 1 1 124 124 ILE HA H 1 1 . 1 1 124 124 ILE CB C 13 1 -3.99 . . 0.50 . . 1 124 Ile Ha 1 124 Ile Cb . 16583 6 59 2JHACB . 1 1 126 126 GLU HA H 1 1 . 1 1 126 126 GLU CB C 13 1 -3.02 . . 0.50 . . 1 126 Glu Ha 1 126 Glu Cb . 16583 6 60 2JHACB . 1 1 129 129 ARG HA H 1 1 . 1 1 129 129 ARG CB C 13 1 -2.99 . . 0.50 . . 1 129 Arg Ha 1 129 Arg Cb . 16583 6 61 2JHACB . 1 1 130 130 VAL HA H 1 1 . 1 1 130 130 VAL CB C 13 1 -3.59 . . 0.50 . . 1 130 Val Ha 1 130 Val Cb . 16583 6 62 2JHACB . 1 1 131 131 ASN HA H 1 1 . 1 1 131 131 ASN CB C 13 1 -1.05 . . 0.50 . . 1 131 Asn Ha 1 131 Asn Cb . 16583 6 63 2JHACB . 1 1 133 133 PRO HA H 1 1 . 1 1 133 133 PRO CB C 13 1 -3.56 . . 0.50 . . 1 133 Pro Ha 1 133 Pro Cb . 16583 6 64 2JHACB . 1 1 136 136 LYS HA H 1 1 . 1 1 136 136 LYS CB C 13 1 -5.11 . . 0.50 . . 1 136 Lys Ha 1 136 Lys Cb . 16583 6 65 2JHACB . 1 1 139 139 ALA HA H 1 1 . 1 1 139 139 ALA CB C 13 1 -4.44 . . 0.50 . . 1 139 Ala Ha 1 139 Ala Cb . 16583 6 66 2JHACB . 1 1 143 143 GLN HA H 1 1 . 1 1 143 143 GLN CB C 13 1 -4.60 . . 0.50 . . 1 143 Gln Ha 1 143 Gln Cb . 16583 6 67 2JHACB . 1 1 145 145 TRP HA H 1 1 . 1 1 145 145 TRP CB C 13 1 -4.38 . . 0.50 . . 1 145 Trp Ha 1 145 Trp Cb . 16583 6 68 2JHACB . 1 1 147 147 VAL HA H 1 1 . 1 1 147 147 VAL CB C 13 1 -1.48 . . 0.50 . . 1 147 Val Ha 1 147 Val Cb . 16583 6 69 2JHACB . 1 1 151 151 LYS HA H 1 1 . 1 1 151 151 LYS CB C 13 1 -2.77 . . 0.50 . . 1 151 Lys Ha 1 151 Lys Cb . 16583 6 70 2JHACB . 1 1 157 157 ILE HA H 1 1 . 1 1 157 157 ILE CB C 13 1 -5.21 . . 0.50 . . 1 157 Ile Ha 1 157 Ile Cb . 16583 6 71 2JHACB . 1 1 159 159 VAL HA H 1 1 . 1 1 159 159 VAL CB C 13 1 -5.04 . . 0.50 . . 1 159 Val Ha 1 159 Val Cb . 16583 6 72 2JHACB . 1 1 161 161 ASN HA H 1 1 . 1 1 161 161 ASN CB C 13 1 -4.27 . . 0.50 . . 1 161 Asn Ha 1 161 Asn Cb . 16583 6 73 2JHACB . 1 1 162 162 HIS HA H 1 1 . 1 1 162 162 HIS CB C 13 1 -5.30 . . 0.50 . . 1 162 His Ha 1 162 His Cb . 16583 6 74 2JHACB . 1 1 164 164 ARG HA H 1 1 . 1 1 164 164 ARG CB C 13 1 -5.33 . . 0.50 . . 1 164 Arg Ha 1 164 Arg Cb . 16583 6 75 2JHACB . 1 1 165 165 ALA HA H 1 1 . 1 1 165 165 ALA CB C 13 1 -6.34 . . 0.50 . . 1 165 Ala Ha 1 165 Ala Cb . 16583 6 76 2JHACB . 1 1 166 166 TRP HA H 1 1 . 1 1 166 166 TRP CB C 13 1 -5.36 . . 0.50 . . 1 166 Trp Ha 1 166 Trp Cb . 16583 6 77 2JHACB . 1 1 167 167 GLU HA H 1 1 . 1 1 167 167 GLU CB C 13 1 -4.50 . . 0.50 . . 1 167 Glu Ha 1 167 Glu Cb . 16583 6 78 2JHACB . 1 1 168 168 ASN HA H 1 1 . 1 1 168 168 ASN CB C 13 1 -5.47 . . 0.50 . . 1 168 Asn Ha 1 168 Asn Cb . 16583 6 79 2JHACB . 1 1 169 169 LEU HA H 1 1 . 1 1 169 169 LEU CB C 13 1 -5.45 . . 0.50 . . 1 169 Leu Ha 1 169 Leu Cb . 16583 6 80 2JHACB . 1 1 176 176 MET HA H 1 1 . 1 1 176 176 MET CB C 13 1 -4.20 . . 0.50 . . 1 176 Met Ha 1 176 Met Cb . 16583 6 81 2JHACB . 1 1 177 177 TYR HA H 1 1 . 1 1 177 177 TYR CB C 13 1 -5.93 . . 0.50 . . 1 177 Tyr Ha 1 177 Tyr Cb . 16583 6 82 2JHACB . 1 1 178 178 GLU HA H 1 1 . 1 1 178 178 GLU CB C 13 1 -2.25 . . 0.50 . . 1 178 Glu Ha 1 178 Glu Cb . 16583 6 83 2JHACB . 1 1 180 180 ALA HA H 1 1 . 1 1 180 180 ALA CB C 13 1 -5.74 . . 0.50 . . 1 180 Ala Ha 1 180 Ala Cb . 16583 6 84 2JHACB . 1 1 182 182 THR HA H 1 1 . 1 1 182 182 THR CB C 13 1 -4.16 . . 0.50 . . 1 182 Thr Ha 1 182 Thr Cb . 16583 6 85 2JHACB . 1 1 183 183 VAL HA H 1 1 . 1 1 183 183 VAL CB C 13 1 -5.94 . . 0.50 . . 1 183 Val Ha 1 183 Val Cb . 16583 6 86 2JHACB . 1 1 186 186 TYR HA H 1 1 . 1 1 186 186 TYR CB C 13 1 -5.70 . . 0.50 . . 1 186 Tyr Ha 1 186 Tyr Cb . 16583 6 87 2JHACB . 1 1 187 187 GLN HA H 1 1 . 1 1 187 187 GLN CB C 13 1 -4.53 . . 0.50 . . 1 187 Gln Ha 1 187 Gln Cb . 16583 6 88 2JHACB . 1 1 192 192 ALA HA H 1 1 . 1 1 192 192 ALA CB C 13 1 -7.05 . . 0.50 . . 1 192 Ala Ha 1 192 Ala Cb . 16583 6 89 2JHACB . 1 1 193 193 ASN HA H 1 1 . 1 1 193 193 ASN CB C 13 1 -7.60 . . 0.50 . . 1 193 Asn Ha 1 193 Asn Cb . 16583 6 90 2JHACB . 1 1 194 194 VAL HA H 1 1 . 1 1 194 194 VAL CB C 13 1 -3.53 . . 0.50 . . 1 194 Val Ha 1 194 Val Cb . 16583 6 91 2JHACB . 1 1 204 204 ASN HA H 1 1 . 1 1 204 204 ASN CB C 13 1 -4.67 . . 0.50 . . 1 204 Asn Ha 1 204 Asn Cb . 16583 6 92 2JHACB . 1 1 205 205 PRO HA H 1 1 . 1 1 205 205 PRO CB C 13 1 -7.46 . . 0.50 . . 1 205 Pro Ha 1 205 Pro Cb . 16583 6 93 2JHACB . 1 1 206 206 LEU HA H 1 1 . 1 1 206 206 LEU CB C 13 1 -6.38 . . 0.50 . . 1 206 Leu Ha 1 206 Leu Cb . 16583 6 stop_ save_