data_15774 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15774 _Entry.Title ; Rv1761c ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-05-14 _Entry.Accession_date 2008-05-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'integral membrane protein' _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 Richard Page . C. . 15774 2 Jacob Moore . D. . 15774 3 Sangwon Lee . . . 15774 4 Stanley Opella . J. . 15774 5 Timothy Cross . A. . 15774 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 15774 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'integral membrane protein' . 15774 PROTEIN . 15774 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15774 RDCs 2 15774 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 335 15774 '15N chemical shifts' 118 15774 '1H chemical shifts' 118 15774 'residual dipolar couplings' 217 15774 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 4 . . 2010-06-02 2007-05-14 update BMRB 'edit assembly name' 15774 3 . . 2009-02-24 2007-05-14 update BMRB 'complete entry citation' 15774 2 . . 2009-02-10 2007-05-14 update BMRB 'correct residue sequences in RDC tables' 15774 1 . . 2008-12-30 2007-05-14 original author 'original release' 15774 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K3M 'BMRB Entry Tracking System' 15774 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15774 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19177358 _Citation.Full_citation . _Citation.Title 'Backbone structure of a small helical integral membrane protein: A unique structural characterization' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 1 _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 134 _Citation.Page_last 146 _Citation.Year 2009 _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 Richard Page . C. . 15774 1 2 Sangwon Lee . . . 15774 1 3 Jacob Moore . D. . 15774 1 4 Stanley Opella . J. . 15774 1 5 Timothy Cross . A. . 15774 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'detergent micelle' 15774 1 'integral membrane protein' 15774 1 'Mycobacterium tuberculosis' 15774 1 'paramagnetic relaxation enhancement' 15774 1 'residual dipolar couplings' 15774 1 'solution NMR' 15774 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15774 _Assembly.ID 1 _Assembly.Name Rv1761c _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic yes _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Rv1761c 1 $Rv1761c A . yes native no no . . . 15774 1 2 MTN 2 $MTN B . no native no no . . . 15774 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rv1761c _Entity.Sf_category entity _Entity.Sf_framecode Rv1761c _Entity.Entry_ID 15774 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rv1761c _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MHHHHHHSSGVDLGTENLYF QSNAMSDFDTERVSRAVAAA LVGPGGVALVVKVFAGLPGV IHTPARRGFFRSNPERIQIG DWRYEVAHDGRLLAAHMVNG IVIAEDALIAEAVGPHLARA LGQIVSRYGATVIPNINAAI EVLGTGTDYRF ; _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 yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13491.678 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2K3M . Rv1761c . . . . . 100.00 151 98.01 98.01 6.18e-101 . . . . 15774 1 2 no DBJ BAH26065 . "hypothetical protein JTY_1777 [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 3 no DBJ BAL65739 . "hypothetical protein ERDMAN_1946 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 4 no EMBL CAL71789 . "Hypothetical exported protein [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 5 no EMBL CCC26851 . "putative exported protein [Mycobacterium africanum GM041182]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 6 no EMBL CCC44109 . "hypothetical exported protein [Mycobacterium canettii CIPT 140010059]" . . . . . 84.11 127 99.21 99.21 2.02e-82 . . . . 15774 1 7 no EMBL CCC64362 . "hypothetical exported protein [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 8 no EMBL CCG11637 . "putative EXPORTED protein [Mycobacterium tuberculosis 7199-99]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 9 no GB AAK46081 . "hypothetical protein MT1810 [Mycobacterium tuberculosis CDC1551]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 10 no GB ABQ73528 . "hypothetical protein MRA_1775 [Mycobacterium tuberculosis H37Ra]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 11 no GB ABR06126 . "hypothetical exported protein [Mycobacterium tuberculosis F11]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 12 no GB ACT25304 . "hypothetical exported protein [Mycobacterium tuberculosis KZN 1435]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 13 no GB AEB04376 . "hypothetical exported protein [Mycobacterium tuberculosis KZN 4207]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 14 no REF NP_216277 . "hypothetical protein Rv1761c [Mycobacterium tuberculosis H37Rv]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 15 no REF NP_855444 . "hypothetical protein Mb1792c [Mycobacterium bovis AF2122/97]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 16 no REF WP_003899008 . "MULTISPECIES: hypothetical protein [Mycobacterium]" . . . . . 84.11 127 100.00 100.00 4.05e-83 . . . . 15774 1 17 no REF WP_003910433 . "hypothetical protein [Mycobacterium africanum]" . . . . . 84.11 127 99.21 99.21 1.95e-82 . . . . 15774 1 18 no REF WP_014000931 . "hypothetical protein [Mycobacterium canettii]" . . . . . 84.11 127 99.21 99.21 2.02e-82 . . . . 15774 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 15774 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 -23 MET . 15774 1 2 -22 HIS . 15774 1 3 -21 HIS . 15774 1 4 -20 HIS . 15774 1 5 -19 HIS . 15774 1 6 -18 HIS . 15774 1 7 -17 HIS . 15774 1 8 -16 SER . 15774 1 9 -15 SER . 15774 1 10 -14 GLY . 15774 1 11 -13 VAL . 15774 1 12 -12 ASP . 15774 1 13 -11 LEU . 15774 1 14 -10 GLY . 15774 1 15 -9 THR . 15774 1 16 -8 GLU . 15774 1 17 -7 ASN . 15774 1 18 -6 LEU . 15774 1 19 -5 TYR . 15774 1 20 -4 PHE . 15774 1 21 -3 GLN . 15774 1 22 -2 SER . 15774 1 23 -1 ASN . 15774 1 24 0 ALA . 15774 1 25 1 MET . 15774 1 26 2 SER . 15774 1 27 3 ASP . 15774 1 28 4 PHE . 15774 1 29 5 ASP . 15774 1 30 6 THR . 15774 1 31 7 GLU . 15774 1 32 8 ARG . 15774 1 33 9 VAL . 15774 1 34 10 SER . 15774 1 35 11 ARG . 15774 1 36 12 ALA . 15774 1 37 13 VAL . 15774 1 38 14 ALA . 15774 1 39 15 ALA . 15774 1 40 16 ALA . 15774 1 41 17 LEU . 15774 1 42 18 VAL . 15774 1 43 19 GLY . 15774 1 44 20 PRO . 15774 1 45 21 GLY . 15774 1 46 22 GLY . 15774 1 47 23 VAL . 15774 1 48 24 ALA . 15774 1 49 25 LEU . 15774 1 50 26 VAL . 15774 1 51 27 VAL . 15774 1 52 28 LYS . 15774 1 53 29 VAL . 15774 1 54 30 PHE . 15774 1 55 31 ALA . 15774 1 56 32 GLY . 15774 1 57 33 LEU . 15774 1 58 34 PRO . 15774 1 59 35 GLY . 15774 1 60 36 VAL . 15774 1 61 37 ILE . 15774 1 62 38 HIS . 15774 1 63 39 THR . 15774 1 64 40 PRO . 15774 1 65 41 ALA . 15774 1 66 42 ARG . 15774 1 67 43 ARG . 15774 1 68 44 GLY . 15774 1 69 45 PHE . 15774 1 70 46 PHE . 15774 1 71 47 ARG . 15774 1 72 48 SER . 15774 1 73 49 ASN . 15774 1 74 50 PRO . 15774 1 75 51 GLU . 15774 1 76 52 ARG . 15774 1 77 53 ILE . 15774 1 78 54 GLN . 15774 1 79 55 ILE . 15774 1 80 56 GLY . 15774 1 81 57 ASP . 15774 1 82 58 TRP . 15774 1 83 59 ARG . 15774 1 84 60 TYR . 15774 1 85 61 GLU . 15774 1 86 62 VAL . 15774 1 87 63 ALA . 15774 1 88 64 HIS . 15774 1 89 65 ASP . 15774 1 90 66 GLY . 15774 1 91 67 ARG . 15774 1 92 68 LEU . 15774 1 93 69 LEU . 15774 1 94 70 ALA . 15774 1 95 71 ALA . 15774 1 96 72 HIS . 15774 1 97 73 MET . 15774 1 98 74 VAL . 15774 1 99 75 ASN . 15774 1 100 76 GLY . 15774 1 101 77 ILE . 15774 1 102 78 VAL . 15774 1 103 79 ILE . 15774 1 104 80 ALA . 15774 1 105 81 GLU . 15774 1 106 82 ASP . 15774 1 107 83 ALA . 15774 1 108 84 LEU . 15774 1 109 85 ILE . 15774 1 110 86 ALA . 15774 1 111 87 GLU . 15774 1 112 88 ALA . 15774 1 113 89 VAL . 15774 1 114 90 GLY . 15774 1 115 91 PRO . 15774 1 116 92 HIS . 15774 1 117 93 LEU . 15774 1 118 94 ALA . 15774 1 119 95 ARG . 15774 1 120 96 ALA . 15774 1 121 97 LEU . 15774 1 122 98 GLY . 15774 1 123 99 GLN . 15774 1 124 100 ILE . 15774 1 125 101 VAL . 15774 1 126 102 SER . 15774 1 127 103 ARG . 15774 1 128 104 TYR . 15774 1 129 105 GLY . 15774 1 130 106 ALA . 15774 1 131 107 THR . 15774 1 132 108 VAL . 15774 1 133 109 ILE . 15774 1 134 110 PRO . 15774 1 135 111 ASN . 15774 1 136 112 ILE . 15774 1 137 113 ASN . 15774 1 138 114 ALA . 15774 1 139 115 ALA . 15774 1 140 116 ILE . 15774 1 141 117 GLU . 15774 1 142 118 VAL . 15774 1 143 119 LEU . 15774 1 144 120 GLY . 15774 1 145 121 THR . 15774 1 146 122 GLY . 15774 1 147 123 THR . 15774 1 148 124 ASP . 15774 1 149 125 TYR . 15774 1 150 126 ARG . 15774 1 151 127 PHE . 15774 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 15774 1 . HIS 2 2 15774 1 . HIS 3 3 15774 1 . HIS 4 4 15774 1 . HIS 5 5 15774 1 . HIS 6 6 15774 1 . HIS 7 7 15774 1 . SER 8 8 15774 1 . SER 9 9 15774 1 . GLY 10 10 15774 1 . VAL 11 11 15774 1 . ASP 12 12 15774 1 . LEU 13 13 15774 1 . GLY 14 14 15774 1 . THR 15 15 15774 1 . GLU 16 16 15774 1 . ASN 17 17 15774 1 . LEU 18 18 15774 1 . TYR 19 19 15774 1 . PHE 20 20 15774 1 . GLN 21 21 15774 1 . SER 22 22 15774 1 . ASN 23 23 15774 1 . ALA 24 24 15774 1 . MET 25 25 15774 1 . SER 26 26 15774 1 . ASP 27 27 15774 1 . PHE 28 28 15774 1 . ASP 29 29 15774 1 . THR 30 30 15774 1 . GLU 31 31 15774 1 . ARG 32 32 15774 1 . VAL 33 33 15774 1 . SER 34 34 15774 1 . ARG 35 35 15774 1 . ALA 36 36 15774 1 . VAL 37 37 15774 1 . ALA 38 38 15774 1 . ALA 39 39 15774 1 . ALA 40 40 15774 1 . LEU 41 41 15774 1 . VAL 42 42 15774 1 . GLY 43 43 15774 1 . PRO 44 44 15774 1 . GLY 45 45 15774 1 . GLY 46 46 15774 1 . VAL 47 47 15774 1 . ALA 48 48 15774 1 . LEU 49 49 15774 1 . VAL 50 50 15774 1 . VAL 51 51 15774 1 . LYS 52 52 15774 1 . VAL 53 53 15774 1 . PHE 54 54 15774 1 . ALA 55 55 15774 1 . GLY 56 56 15774 1 . LEU 57 57 15774 1 . PRO 58 58 15774 1 . GLY 59 59 15774 1 . VAL 60 60 15774 1 . ILE 61 61 15774 1 . HIS 62 62 15774 1 . THR 63 63 15774 1 . PRO 64 64 15774 1 . ALA 65 65 15774 1 . ARG 66 66 15774 1 . ARG 67 67 15774 1 . GLY 68 68 15774 1 . PHE 69 69 15774 1 . PHE 70 70 15774 1 . ARG 71 71 15774 1 . SER 72 72 15774 1 . ASN 73 73 15774 1 . PRO 74 74 15774 1 . GLU 75 75 15774 1 . ARG 76 76 15774 1 . ILE 77 77 15774 1 . GLN 78 78 15774 1 . ILE 79 79 15774 1 . GLY 80 80 15774 1 . ASP 81 81 15774 1 . TRP 82 82 15774 1 . ARG 83 83 15774 1 . TYR 84 84 15774 1 . GLU 85 85 15774 1 . VAL 86 86 15774 1 . ALA 87 87 15774 1 . HIS 88 88 15774 1 . ASP 89 89 15774 1 . GLY 90 90 15774 1 . ARG 91 91 15774 1 . LEU 92 92 15774 1 . LEU 93 93 15774 1 . ALA 94 94 15774 1 . ALA 95 95 15774 1 . HIS 96 96 15774 1 . MET 97 97 15774 1 . VAL 98 98 15774 1 . ASN 99 99 15774 1 . GLY 100 100 15774 1 . ILE 101 101 15774 1 . VAL 102 102 15774 1 . ILE 103 103 15774 1 . ALA 104 104 15774 1 . GLU 105 105 15774 1 . ASP 106 106 15774 1 . ALA 107 107 15774 1 . LEU 108 108 15774 1 . ILE 109 109 15774 1 . ALA 110 110 15774 1 . GLU 111 111 15774 1 . ALA 112 112 15774 1 . VAL 113 113 15774 1 . GLY 114 114 15774 1 . PRO 115 115 15774 1 . HIS 116 116 15774 1 . LEU 117 117 15774 1 . ALA 118 118 15774 1 . ARG 119 119 15774 1 . ALA 120 120 15774 1 . LEU 121 121 15774 1 . GLY 122 122 15774 1 . GLN 123 123 15774 1 . ILE 124 124 15774 1 . VAL 125 125 15774 1 . SER 126 126 15774 1 . ARG 127 127 15774 1 . TYR 128 128 15774 1 . GLY 129 129 15774 1 . ALA 130 130 15774 1 . THR 131 131 15774 1 . VAL 132 132 15774 1 . ILE 133 133 15774 1 . PRO 134 134 15774 1 . ASN 135 135 15774 1 . ILE 136 136 15774 1 . ASN 137 137 15774 1 . ALA 138 138 15774 1 . ALA 139 139 15774 1 . ILE 140 140 15774 1 . GLU 141 141 15774 1 . VAL 142 142 15774 1 . LEU 143 143 15774 1 . GLY 144 144 15774 1 . THR 145 145 15774 1 . GLY 146 146 15774 1 . THR 147 147 15774 1 . ASP 148 148 15774 1 . TYR 149 149 15774 1 . ARG 150 150 15774 1 . PHE 151 151 15774 1 stop_ save_ save_MTN _Entity.Sf_category entity _Entity.Sf_framecode MTN _Entity.Entry_ID 15774 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MTN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MTN _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . MTN . 15774 2 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 15774 _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 $Rv1761c . 1773 organism . 'Mycobacterium tuberculosis' 'Bacillus tuberculosis' . . Bacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . . . . . . Rv1761c . . . . 15774 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 15774 _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 $Rv1761c . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pTBSG1 . . . 'ligation independent cloning vector producing N-terminal His6 tag' . . 15774 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MTN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MTN _Chem_comp.Entry_ID 15774 _Chem_comp.ID MTN _Chem_comp.Provenance . _Chem_comp.Name 2,2,5,5-TETRAMETHYL-3-(SULFANYLMETHYL)-2,5-DIHYDRO-1H-PYRROL-1-OL _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MTN _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code MTN _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C9 H17 N O S' _Chem_comp.Formula_weight 187.302 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 19:58:00 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC1(C)C=C(CS)C(C)(C)N1O SMILES CACTVS 3.341 15774 MTN CC1(C)C=C(CS)C(C)(C)N1O SMILES_CANONICAL CACTVS 3.341 15774 MTN CC1(C=C(C(N1O)(C)C)CS)C SMILES 'OpenEye OEToolkits' 1.5.0 15774 MTN CC1(C=C(C(N1O)(C)C)CS)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15774 MTN InChI=1/C9H17NOS/c1-8(2)5-7(6-12)9(3,4)10(8)11/h5,11-12H,6H2,1-4H3 InChI InChI 1.01 15774 MTN ON1C(C=C(CS)C1(C)C)(C)C SMILES ACDLabs 10.04 15774 MTN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (1-hydroxy-2,2,5,5-tetramethyl-pyrrol-3-yl)methanethiol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15774 MTN 2,2,5,5-tetramethyl-3-(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-ol 'SYSTEMATIC NAME' ACDLabs 10.04 15774 MTN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN C2 . C2 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN C3 . C3 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN C4 . C4 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN C5 . C5 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN C6 . C6 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN C7 . C7 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN C8 . C8 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN C9 . C9 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H2 . H2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H41 . H41 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H42 . H42 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H61 . H61 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H62 . H62 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H63 . H63 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H71 . H71 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H72 . H72 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H73 . H73 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H81 . H81 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H82 . H82 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H83 . H83 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H91 . H91 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H92 . H92 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN H93 . H93 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN HO1 . HO1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN HS1 . HS1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN N1 . N1 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN O1 . O1 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN S1 . S1 . . S . N . 0 . . . . no no . . . . . . . . . . . . . . . 15774 MTN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O1 N1 . . . . 15774 MTN 2 . SING O1 HO1 . . . . 15774 MTN 3 . SING N1 C1 . . . . 15774 MTN 4 . SING N1 C5 . . . . 15774 MTN 5 . SING C1 C2 . . . . 15774 MTN 6 . SING C1 C8 . . . . 15774 MTN 7 . SING C1 C9 . . . . 15774 MTN 8 . DOUB C2 C3 . . . . 15774 MTN 9 . SING C2 H2 . . . . 15774 MTN 10 . SING C3 C4 . . . . 15774 MTN 11 . SING C3 C5 . . . . 15774 MTN 12 . SING C4 S1 . . . . 15774 MTN 13 . SING C4 H41 . . . . 15774 MTN 14 . SING C4 H42 . . . . 15774 MTN 15 . SING S1 HS1 . . . . 15774 MTN 16 . SING C5 C6 . . . . 15774 MTN 17 . SING C5 C7 . . . . 15774 MTN 18 . SING C6 H61 . . . . 15774 MTN 19 . SING C6 H62 . . . . 15774 MTN 20 . SING C6 H63 . . . . 15774 MTN 21 . SING C7 H71 . . . . 15774 MTN 22 . SING C7 H72 . . . . 15774 MTN 23 . SING C7 H73 . . . . 15774 MTN 24 . SING C8 H81 . . . . 15774 MTN 25 . SING C8 H82 . . . . 15774 MTN 26 . SING C8 H83 . . . . 15774 MTN 27 . SING C9 H91 . . . . 15774 MTN 28 . SING C9 H92 . . . . 15774 MTN 29 . SING C9 H93 . . . . 15774 MTN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_F30C-MTSL_Rv1761c _Sample.Sf_category sample _Sample.Sf_framecode F30C-MTSL_Rv1761c _Sample.Entry_ID 15774 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; F30C-MTSL labeled Rv1761c sample used to collect PRE data. cysteine residue with covalently attached MTSL spin label [(1-Oxyl-2,2,5,5-tetramethyl-d-3-pyrroline-3-methyl) methanethiosulfonate]. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1761c '[U-100% 15N]' . . 1 $Rv1761c . . 0.4 . . mM 0.05 . . . 15774 1 2 CYSP 'natural abundance' . . . . . . 0.4 . . mM 0.05 . . . 15774 1 3 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 15774 1 4 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 15774 1 5 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15774 1 6 DPC 'natural abundance' . . . . . . 150 . . mM 5 . . . 15774 1 stop_ save_ save_S48C-MTSL_Rv1761c _Sample.Sf_category sample _Sample.Sf_framecode S48C-MTSL_Rv1761c _Sample.Entry_ID 15774 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; S48C-MTSL labled Rv1761c sample used to collect PRE data. cysteine residue with covalently attached MTSL spin label [(1-Oxyl-2,2,5,5-tetramethyl-d-3-pyrroline-3-methyl) methanethiosulfonate]. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1761c '[U-100% 15N]' . . 1 $Rv1761c . . 0.4 . . mM 0.05 . . . 15774 2 2 CYSP 'natural abundance' . . . . . . 0.4 . . mM 0.05 . . . 15774 2 3 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 15774 2 4 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 15774 2 5 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15774 2 6 DPC 'natural abundance' . . . . . . 150 . . mM 5 . . . 15774 2 stop_ save_ save_S102C-MTSL_Rv1761c _Sample.Sf_category sample _Sample.Sf_framecode S102C-MTSL_Rv1761c _Sample.Entry_ID 15774 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; S102C-MTSL labeled Rv1761c sample used to collect PRE data. cysteine residue with covalently attached MTSL spin label [(1-Oxyl-2,2,5,5-tetramethyl-d-3-pyrroline-3-methyl) methanethiosulfonate]. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1761c '[U-100% 15N]' . . 1 $Rv1761c . . 0.4 . . mM 0.05 . . . 15774 3 2 CYSP 'natural abundance' . . . . . . 0.4 . . mM 0.05 . . . 15774 3 3 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 15774 3 4 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 15774 3 5 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15774 3 6 DPC 'natural abundance' . . . . . . 150 . . mM 5 . . . 15774 3 stop_ save_ save_15N_13C_Rv1761c _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_Rv1761c _Sample.Entry_ID 15774 _Sample.ID 4 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'sample used for assignments' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1761c '[U-100% 13C; U-100% 15N]' . . 1 $Rv1761c . . 1 . . mM 0.05 . . . 15774 4 2 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 15774 4 3 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 15774 4 4 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15774 4 5 DPC 'natural abundance' . . . . . . 150 . . mM 5 . . . 15774 4 stop_ save_ save_15N_Rv1761c _Sample.Sf_category sample _Sample.Sf_framecode 15N_Rv1761c _Sample.Entry_ID 15774 _Sample.ID 5 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'sample used for assignments' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1761c '[U-100% 15N]' . . 1 $Rv1761c . . 1 . . mM 0.05 . . . 15774 5 2 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 15774 5 3 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 15774 5 4 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15774 5 5 DPC 'natural abundance' . . . . . . 150 . . mM 5 . . . 15774 5 stop_ save_ save_15N_Rv1761c-neutral_gel _Sample.Sf_category sample _Sample.Sf_framecode 15N_Rv1761c-neutral_gel _Sample.Entry_ID 15774 _Sample.ID 6 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'neutral gel sample for RDC' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1761c '[U-100% 15N]' . . 1 $Rv1761c . . 1 . . mM 0.05 . . . 15774 6 2 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 15774 6 3 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 15774 6 4 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15774 6 5 DPC 'natural abundance' . . . . . . 150 . . mM 5 . . . 15774 6 6 'polyacrylamide gel' 'natural abundance' . . . . . . 5 . . % 0.1 . . . 15774 6 stop_ save_ save_15N_Rv1761c-charged_gel _Sample.Sf_category sample _Sample.Sf_framecode 15N_Rv1761c-charged_gel _Sample.Entry_ID 15774 _Sample.ID 7 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'negatively charged gel sample for RDC' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rv1761c '[U-100% 15N]' . . 1 $Rv1761c . . 1 . . mM 0.05 . . . 15774 7 2 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 15774 7 3 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 15774 7 4 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM 1 . . . 15774 7 5 DPC 'natural abundance' . . . . . . 150 . . mM 5 . . . 15774 7 6 'polyacrylamide gel' 'natural abundance' . . . . . . 4.4 . . % 0.1 . . . 15774 7 7 '2-acrylamido-2-methyl-1-propanesulfonic acid' 'natural abundance' . . . . . . 1.1 . . % 0.1 . . . 15774 7 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 15774 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'identical conditions used for all experiments' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 5 mM 15774 1 pH 4 0.02 pH 15774 1 pressure 1 . atm 15774 1 temperature 323 0.1 K 15774 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15774 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15774 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15774 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15774 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15774 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15774 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15774 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version 2.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15774 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15774 3 'structure solution' 15774 3 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15774 _Software.ID 4 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15774 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15774 4 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15774 _Software.ID 5 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15774 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15774 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_600_-_UCSD _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_600_-_UCSD _NMR_spectrometer.Entry_ID 15774 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryoprobe equipped' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Varian_600_-_NHMFL _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_600_-_NHMFL _NMR_spectrometer.Entry_ID 15774 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Varian_720_-_NHMFL _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_720_-_NHMFL _NMR_spectrometer.Entry_ID 15774 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 720 save_ save_Bruker_900_-_NHMFL _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Bruker_900_-_NHMFL _NMR_spectrometer.Entry_ID 15774 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details 'ultra-wide bore 900MHz at National High Magnetic Field Laboratory' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 15774 _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 'Bruker 600 - UCSD' Bruker Avance . 600 'cryoprobe equipped' . . 15774 1 2 'Varian 600 - NHMFL' Varian INOVA . 600 . . . 15774 1 3 'Varian 720 - NHMFL' Varian INOVA . 720 . . . 15774 1 4 'Bruker 900 - NHMFL' Varian Avance . 900 'ultra-wide bore 900MHz at National High Magnetic Field Laboratory' . . 15774 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 15774 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $15N_13C_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_600_-_UCSD . . . . . . . . . . . . . . . . 15774 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $F30C-MTSL_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 4 $Bruker_900_-_NHMFL . . . . . . . . . . . . . . . . 15774 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $S48C-MTSL_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 4 $Bruker_900_-_NHMFL . . . . . . . . . . . . . . . . 15774 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $S102C-MTSL_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 4 $Bruker_900_-_NHMFL . . . . . . . . . . . . . . . . 15774 1 5 '3D HNCO' no . . . . . . . . . . 4 $15N_13C_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_600_-_UCSD . . . . . . . . . . . . . . . . 15774 1 6 '3D HNCA' no . . . . . . . . . . 4 $15N_13C_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_600_-_UCSD . . . . . . . . . . . . . . . . 15774 1 7 '3D HNCACB' no . . . . . . . . . . 4 $15N_13C_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_600_-_UCSD . . . . . . . . . . . . . . . . 15774 1 8 '3D HN(CO)CA' no . . . . . . . . . . 4 $15N_13C_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_600_-_UCSD . . . . . . . . . . . . . . . . 15774 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 4 $15N_13C_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_600_-_UCSD . . . . . . . . . . . . . . . . 15774 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $15N_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 2 $Varian_600_-_NHMFL . . . . . . . . . . . . . . . . 15774 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $15N_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 3 $Varian_720_-_NHMFL . . . . . . . . . . . . . . . . 15774 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 5 $15N_Rv1761c isotropic . . 1 $sample_conditions_1 . . . 3 $Varian_720_-_NHMFL . . . . . . . . . . . . . . . . 15774 1 13 '2D 1H-15N HSQC-IPAP' no . . . . . . . . . . 6 $15N_Rv1761c-neutral_gel isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_600_-_UCSD . . . . . . . . . . . . . . . . 15774 1 14 '2D 1H-15N HSQC-IPAP' no . . . . . . . . . . 7 $15N_Rv1761c-charged_gel isotropic . . 1 $sample_conditions_1 . . . 1 $Bruker_600_-_UCSD . . . . . . . . . . . . . . . . 15774 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15774 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15774 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15774 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15774 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15774 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '3D HNCO' . . . 15774 1 6 '3D HNCA' . . . 15774 1 7 '3D HNCACB' . . . 15774 1 8 '3D HN(CO)CA' . . . 15774 1 9 '3D CBCA(CO)NH' . . . 15774 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 15774 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 25 25 MET H H 1 8.240 0.02 . 1 . . . . 1 MET H . 15774 1 2 . 1 1 25 25 MET C C 13 177.580 0.30 . 1 . . . . 1 MET C . 15774 1 3 . 1 1 25 25 MET CA C 13 56.210 0.30 . 1 . . . . 1 MET CA . 15774 1 4 . 1 1 25 25 MET CB C 13 32.410 0.30 . 1 . . . . 1 MET CB . 15774 1 5 . 1 1 25 25 MET N N 15 116.010 0.25 . 1 . . . . 1 MET N . 15774 1 6 . 1 1 26 26 SER H H 1 8.050 0.02 . 1 . . . . 2 SER H . 15774 1 7 . 1 1 26 26 SER C C 13 175.590 0.30 . 1 . . . . 2 SER C . 15774 1 8 . 1 1 26 26 SER CA C 13 59.610 0.30 . 1 . . . . 2 SER CA . 15774 1 9 . 1 1 26 26 SER CB C 13 63.580 0.30 . 1 . . . . 2 SER CB . 15774 1 10 . 1 1 26 26 SER N N 15 114.340 0.25 . 1 . . . . 2 SER N . 15774 1 11 . 1 1 27 27 ASP H H 1 8.290 0.02 . 1 . . . . 3 ASP H . 15774 1 12 . 1 1 27 27 ASP C C 13 176.140 0.30 . 1 . . . . 3 ASP C . 15774 1 13 . 1 1 27 27 ASP CA C 13 53.960 0.30 . 1 . . . . 3 ASP CA . 15774 1 14 . 1 1 27 27 ASP CB C 13 39.260 0.30 . 1 . . . . 3 ASP CB . 15774 1 15 . 1 1 27 27 ASP N N 15 119.820 0.25 . 1 . . . . 3 ASP N . 15774 1 16 . 1 1 28 28 PHE H H 1 8.020 0.02 . 1 . . . . 4 PHE H . 15774 1 17 . 1 1 28 28 PHE C C 13 175.480 0.30 . 1 . . . . 4 PHE C . 15774 1 18 . 1 1 28 28 PHE CA C 13 58.100 0.30 . 1 . . . . 4 PHE CA . 15774 1 19 . 1 1 28 28 PHE CB C 13 39.550 0.30 . 1 . . . . 4 PHE CB . 15774 1 20 . 1 1 28 28 PHE N N 15 119.380 0.25 . 1 . . . . 4 PHE N . 15774 1 21 . 1 1 29 29 ASP H H 1 8.120 0.02 . 1 . . . . 5 ASP H . 15774 1 22 . 1 1 29 29 ASP C C 13 177.140 0.30 . 1 . . . . 5 ASP C . 15774 1 23 . 1 1 29 29 ASP CA C 13 53.300 0.30 . 1 . . . . 5 ASP CA . 15774 1 24 . 1 1 29 29 ASP CB C 13 40.020 0.30 . 1 . . . . 5 ASP CB . 15774 1 25 . 1 1 29 29 ASP N N 15 121.130 0.25 . 1 . . . . 5 ASP N . 15774 1 26 . 1 1 30 30 THR H H 1 8.470 0.02 . 1 . . . . 6 THR H . 15774 1 27 . 1 1 30 30 THR C C 13 177.520 0.30 . 1 . . . . 6 THR C . 15774 1 28 . 1 1 30 30 THR CA C 13 65.220 0.30 . 1 . . . . 6 THR CA . 15774 1 29 . 1 1 30 30 THR CB C 13 68.460 0.30 . 1 . . . . 6 THR CB . 15774 1 30 . 1 1 30 30 THR N N 15 116.230 0.25 . 1 . . . . 6 THR N . 15774 1 31 . 1 1 31 31 GLU H H 1 8.570 0.02 . 1 . . . . 7 GLU H . 15774 1 32 . 1 1 31 31 GLU C C 13 178.580 0.30 . 1 . . . . 7 GLU C . 15774 1 33 . 1 1 31 31 GLU CA C 13 58.960 0.30 . 1 . . . . 7 GLU CA . 15774 1 34 . 1 1 31 31 GLU CB C 13 28.140 0.30 . 1 . . . . 7 GLU CB . 15774 1 35 . 1 1 31 31 GLU N N 15 122.710 0.25 . 1 . . . . 7 GLU N . 15774 1 36 . 1 1 32 32 ARG H H 1 8.120 0.02 . 1 . . . . 8 ARG H . 15774 1 37 . 1 1 32 32 ARG C C 13 179.800 0.30 . 1 . . . . 8 ARG C . 15774 1 38 . 1 1 32 32 ARG CA C 13 58.830 0.30 . 1 . . . . 8 ARG CA . 15774 1 39 . 1 1 32 32 ARG CB C 13 30.350 0.30 . 1 . . . . 8 ARG CB . 15774 1 40 . 1 1 32 32 ARG N N 15 119.090 0.25 . 1 . . . . 8 ARG N . 15774 1 41 . 1 1 33 33 VAL H H 1 8.020 0.02 . 1 . . . . 9 VAL H . 15774 1 42 . 1 1 33 33 VAL C C 13 177.750 0.30 . 1 . . . . 9 VAL C . 15774 1 43 . 1 1 33 33 VAL CA C 13 65.870 0.30 . 1 . . . . 9 VAL CA . 15774 1 44 . 1 1 33 33 VAL CB C 13 31.500 0.30 . 1 . . . . 9 VAL CB . 15774 1 45 . 1 1 33 33 VAL N N 15 118.150 0.25 . 1 . . . . 9 VAL N . 15774 1 46 . 1 1 34 34 SER H H 1 8.290 0.02 . 1 . . . . 10 SER H . 15774 1 47 . 1 1 34 34 SER CA C 13 61.880 0.30 . 1 . . . . 10 SER CA . 15774 1 48 . 1 1 34 34 SER N N 15 115.790 0.25 . 1 . . . . 10 SER N . 15774 1 49 . 1 1 35 35 ARG H H 1 8.300 0.02 . 1 . . . . 11 ARG H . 15774 1 50 . 1 1 35 35 ARG C C 13 179.230 0.30 . 1 . . . . 11 ARG C . 15774 1 51 . 1 1 35 35 ARG CA C 13 59.540 0.30 . 1 . . . . 11 ARG CA . 15774 1 52 . 1 1 35 35 ARG N N 15 120.660 0.25 . 1 . . . . 11 ARG N . 15774 1 53 . 1 1 36 36 ALA H H 1 7.900 0.02 . 1 . . . . 12 ALA H . 15774 1 54 . 1 1 36 36 ALA C C 13 181.140 0.30 . 1 . . . . 12 ALA C . 15774 1 55 . 1 1 36 36 ALA CA C 13 54.990 0.30 . 1 . . . . 12 ALA CA . 15774 1 56 . 1 1 36 36 ALA CB C 13 18.400 0.30 . 1 . . . . 12 ALA CB . 15774 1 57 . 1 1 36 36 ALA N N 15 122.020 0.25 . 1 . . . . 12 ALA N . 15774 1 58 . 1 1 37 37 VAL H H 1 8.290 0.02 . 1 . . . . 13 VAL H . 15774 1 59 . 1 1 37 37 VAL C C 13 178.230 0.30 . 1 . . . . 13 VAL C . 15774 1 60 . 1 1 37 37 VAL CA C 13 66.350 0.30 . 1 . . . . 13 VAL CA . 15774 1 61 . 1 1 37 37 VAL CB C 13 31.350 0.30 . 1 . . . . 13 VAL CB . 15774 1 62 . 1 1 37 37 VAL N N 15 117.770 0.25 . 1 . . . . 13 VAL N . 15774 1 63 . 1 1 38 38 ALA H H 1 8.210 0.02 . 1 . . . . 14 ALA H . 15774 1 64 . 1 1 38 38 ALA C C 13 180.040 0.30 . 1 . . . . 14 ALA C . 15774 1 65 . 1 1 38 38 ALA CA C 13 55.520 0.30 . 1 . . . . 14 ALA CA . 15774 1 66 . 1 1 38 38 ALA CB C 13 18.190 0.30 . 1 . . . . 14 ALA CB . 15774 1 67 . 1 1 38 38 ALA N N 15 120.580 0.25 . 1 . . . . 14 ALA N . 15774 1 68 . 1 1 39 39 ALA H H 1 8.080 0.02 . 1 . . . . 15 ALA H . 15774 1 69 . 1 1 39 39 ALA C C 13 180.610 0.30 . 1 . . . . 15 ALA C . 15774 1 70 . 1 1 39 39 ALA CA C 13 54.480 0.30 . 1 . . . . 15 ALA CA . 15774 1 71 . 1 1 39 39 ALA CB C 13 18.150 0.30 . 1 . . . . 15 ALA CB . 15774 1 72 . 1 1 39 39 ALA N N 15 117.430 0.25 . 1 . . . . 15 ALA N . 15774 1 73 . 1 1 40 40 ALA H H 1 7.800 0.02 . 1 . . . . 16 ALA H . 15774 1 74 . 1 1 40 40 ALA C C 13 179.680 0.30 . 1 . . . . 16 ALA C . 15774 1 75 . 1 1 40 40 ALA CA C 13 53.900 0.30 . 1 . . . . 16 ALA CA . 15774 1 76 . 1 1 40 40 ALA CB C 13 18.650 0.30 . 1 . . . . 16 ALA CB . 15774 1 77 . 1 1 40 40 ALA N N 15 119.100 0.25 . 1 . . . . 16 ALA N . 15774 1 78 . 1 1 41 41 LEU H H 1 7.900 0.02 . 1 . . . . 17 LEU H . 15774 1 79 . 1 1 41 41 LEU C C 13 177.690 0.30 . 1 . . . . 17 LEU C . 15774 1 80 . 1 1 41 41 LEU CA C 13 56.660 0.30 . 1 . . . . 17 LEU CA . 15774 1 81 . 1 1 41 41 LEU CB C 13 42.880 0.30 . 1 . . . . 17 LEU CB . 15774 1 82 . 1 1 41 41 LEU N N 15 115.750 0.25 . 1 . . . . 17 LEU N . 15774 1 83 . 1 1 42 42 VAL H H 1 7.640 0.02 . 1 . . . . 18 VAL H . 15774 1 84 . 1 1 42 42 VAL C C 13 177.180 0.30 . 1 . . . . 18 VAL C . 15774 1 85 . 1 1 42 42 VAL CA C 13 62.110 0.30 . 1 . . . . 18 VAL CA . 15774 1 86 . 1 1 42 42 VAL CB C 13 31.890 0.30 . 1 . . . . 18 VAL CB . 15774 1 87 . 1 1 42 42 VAL N N 15 111.230 0.25 . 1 . . . . 18 VAL N . 15774 1 88 . 1 1 43 43 GLY H H 1 7.890 0.02 . 1 . . . . 19 GLY H . 15774 1 89 . 1 1 43 43 GLY CA C 13 44.840 0.30 . 1 . . . . 19 GLY CA . 15774 1 90 . 1 1 43 43 GLY N N 15 109.650 0.25 . 1 . . . . 19 GLY N . 15774 1 91 . 1 1 44 44 PRO C C 13 179.900 0.30 . 1 . . . . 20 PRO C . 15774 1 92 . 1 1 44 44 PRO CA C 13 64.720 0.30 . 1 . . . . 20 PRO CA . 15774 1 93 . 1 1 44 44 PRO CB C 13 31.590 0.30 . 1 . . . . 20 PRO CB . 15774 1 94 . 1 1 45 45 GLY H H 1 8.940 0.02 . 1 . . . . 21 GLY H . 15774 1 95 . 1 1 45 45 GLY C C 13 176.830 0.30 . 1 . . . . 21 GLY C . 15774 1 96 . 1 1 45 45 GLY CA C 13 46.330 0.30 . 1 . . . . 21 GLY CA . 15774 1 97 . 1 1 45 45 GLY N N 15 108.480 0.25 . 1 . . . . 21 GLY N . 15774 1 98 . 1 1 46 46 GLY H H 1 8.190 0.02 . 1 . . . . 22 GLY H . 15774 1 99 . 1 1 46 46 GLY C C 13 176.120 0.30 . 1 . . . . 22 GLY C . 15774 1 100 . 1 1 46 46 GLY CA C 13 47.210 0.30 . 1 . . . . 22 GLY CA . 15774 1 101 . 1 1 46 46 GLY N N 15 109.860 0.25 . 1 . . . . 22 GLY N . 15774 1 102 . 1 1 47 47 VAL H H 1 8.210 0.02 . 1 . . . . 23 VAL H . 15774 1 103 . 1 1 47 47 VAL C C 13 177.970 0.30 . 1 . . . . 23 VAL C . 15774 1 104 . 1 1 47 47 VAL CA C 13 66.500 0.30 . 1 . . . . 23 VAL CA . 15774 1 105 . 1 1 47 47 VAL CB C 13 31.530 0.30 . 1 . . . . 23 VAL CB . 15774 1 106 . 1 1 47 47 VAL N N 15 120.580 0.25 . 1 . . . . 23 VAL N . 15774 1 107 . 1 1 48 48 ALA H H 1 8.070 0.02 . 1 . . . . 24 ALA H . 15774 1 108 . 1 1 48 48 ALA C C 13 181.100 0.30 . 1 . . . . 24 ALA C . 15774 1 109 . 1 1 48 48 ALA CA C 13 54.990 0.30 . 1 . . . . 24 ALA CA . 15774 1 110 . 1 1 48 48 ALA CB C 13 18.010 0.30 . 1 . . . . 24 ALA CB . 15774 1 111 . 1 1 48 48 ALA N N 15 120.470 0.25 . 1 . . . . 24 ALA N . 15774 1 112 . 1 1 49 49 LEU H H 1 7.780 0.02 . 1 . . . . 25 LEU H . 15774 1 113 . 1 1 49 49 LEU C C 13 179.100 0.30 . 1 . . . . 25 LEU C . 15774 1 114 . 1 1 49 49 LEU CA C 13 58.000 0.30 . 1 . . . . 25 LEU CA . 15774 1 115 . 1 1 49 49 LEU CB C 13 41.810 0.30 . 1 . . . . 25 LEU CB . 15774 1 116 . 1 1 49 49 LEU N N 15 118.220 0.25 . 1 . . . . 25 LEU N . 15774 1 117 . 1 1 50 50 VAL H H 1 7.990 0.02 . 1 . . . . 26 VAL H . 15774 1 118 . 1 1 50 50 VAL C C 13 178.600 0.30 . 1 . . . . 26 VAL C . 15774 1 119 . 1 1 50 50 VAL CA C 13 66.980 0.30 . 1 . . . . 26 VAL CA . 15774 1 120 . 1 1 50 50 VAL CB C 13 31.340 0.30 . 1 . . . . 26 VAL CB . 15774 1 121 . 1 1 50 50 VAL N N 15 117.910 0.25 . 1 . . . . 26 VAL N . 15774 1 122 . 1 1 51 51 VAL H H 1 8.270 0.02 . 1 . . . . 27 VAL H . 15774 1 123 . 1 1 51 51 VAL C C 13 178.610 0.30 . 1 . . . . 27 VAL C . 15774 1 124 . 1 1 51 51 VAL CA C 13 66.930 0.30 . 1 . . . . 27 VAL CA . 15774 1 125 . 1 1 51 51 VAL CB C 13 31.370 0.30 . 1 . . . . 27 VAL CB . 15774 1 126 . 1 1 51 51 VAL N N 15 117.830 0.25 . 1 . . . . 27 VAL N . 15774 1 127 . 1 1 52 52 LYS H H 1 7.840 0.02 . 1 . . . . 28 LYS H . 15774 1 128 . 1 1 52 52 LYS C C 13 180.180 0.30 . 1 . . . . 28 LYS C . 15774 1 129 . 1 1 52 52 LYS CA C 13 59.410 0.30 . 1 . . . . 28 LYS CA . 15774 1 130 . 1 1 52 52 LYS CB C 13 32.360 0.30 . 1 . . . . 28 LYS CB . 15774 1 131 . 1 1 52 52 LYS N N 15 119.020 0.25 . 1 . . . . 28 LYS N . 15774 1 132 . 1 1 53 53 VAL H H 1 8.190 0.02 . 1 . . . . 29 VAL H . 15774 1 133 . 1 1 53 53 VAL C C 13 178.570 0.30 . 1 . . . . 29 VAL C . 15774 1 134 . 1 1 53 53 VAL CA C 13 66.160 0.30 . 1 . . . . 29 VAL CA . 15774 1 135 . 1 1 53 53 VAL CB C 13 31.310 0.30 . 1 . . . . 29 VAL CB . 15774 1 136 . 1 1 53 53 VAL N N 15 118.270 0.25 . 1 . . . . 29 VAL N . 15774 1 137 . 1 1 54 54 PHE H H 1 8.340 0.02 . 1 . . . . 30 PHE H . 15774 1 138 . 1 1 54 54 PHE C C 13 178.010 0.30 . 1 . . . . 30 PHE C . 15774 1 139 . 1 1 54 54 PHE CA C 13 60.680 0.30 . 1 . . . . 30 PHE CA . 15774 1 140 . 1 1 54 54 PHE CB C 13 38.770 0.30 . 1 . . . . 30 PHE CB . 15774 1 141 . 1 1 54 54 PHE N N 15 117.530 0.25 . 1 . . . . 30 PHE N . 15774 1 142 . 1 1 55 55 ALA H H 1 8.250 0.02 . 1 . . . . 31 ALA H . 15774 1 143 . 1 1 55 55 ALA C C 13 179.680 0.30 . 1 . . . . 31 ALA C . 15774 1 144 . 1 1 55 55 ALA CA C 13 54.210 0.30 . 1 . . . . 31 ALA CA . 15774 1 145 . 1 1 55 55 ALA CB C 13 18.390 0.30 . 1 . . . . 31 ALA CB . 15774 1 146 . 1 1 55 55 ALA N N 15 119.420 0.25 . 1 . . . . 31 ALA N . 15774 1 147 . 1 1 56 56 GLY H H 1 8.080 0.02 . 1 . . . . 32 GLY H . 15774 1 148 . 1 1 56 56 GLY C C 13 175.680 0.30 . 1 . . . . 32 GLY C . 15774 1 149 . 1 1 56 56 GLY CA C 13 45.190 0.30 . 1 . . . . 32 GLY CA . 15774 1 150 . 1 1 56 56 GLY N N 15 104.280 0.25 . 1 . . . . 32 GLY N . 15774 1 151 . 1 1 57 57 LEU H H 1 7.880 0.02 . 1 . . . . 33 LEU H . 15774 1 152 . 1 1 57 57 LEU CA C 13 56.760 0.30 . 1 . . . . 33 LEU CA . 15774 1 153 . 1 1 57 57 LEU CB C 13 40.820 0.30 . 1 . . . . 33 LEU CB . 15774 1 154 . 1 1 57 57 LEU N N 15 121.870 0.25 . 1 . . . . 33 LEU N . 15774 1 155 . 1 1 58 58 PRO C C 13 178.260 0.30 . 1 . . . . 34 PRO C . 15774 1 156 . 1 1 58 58 PRO CA C 13 65.280 0.30 . 1 . . . . 34 PRO CA . 15774 1 157 . 1 1 58 58 PRO CB C 13 31.110 0.30 . 1 . . . . 34 PRO CB . 15774 1 158 . 1 1 59 59 GLY H H 1 8.210 0.02 . 1 . . . . 35 GLY H . 15774 1 159 . 1 1 59 59 GLY C C 13 176.040 0.30 . 1 . . . . 35 GLY C . 15774 1 160 . 1 1 59 59 GLY CA C 13 46.150 0.30 . 1 . . . . 35 GLY CA . 15774 1 161 . 1 1 59 59 GLY N N 15 104.540 0.25 . 1 . . . . 35 GLY N . 15774 1 162 . 1 1 60 60 VAL H H 1 7.930 0.02 . 1 . . . . 36 VAL H . 15774 1 163 . 1 1 60 60 VAL C C 13 176.960 0.30 . 1 . . . . 36 VAL C . 15774 1 164 . 1 1 60 60 VAL CA C 13 63.420 0.30 . 1 . . . . 36 VAL CA . 15774 1 165 . 1 1 60 60 VAL CB C 13 32.400 0.30 . 1 . . . . 36 VAL CB . 15774 1 166 . 1 1 60 60 VAL N N 15 117.560 0.25 . 1 . . . . 36 VAL N . 15774 1 167 . 1 1 61 61 ILE H H 1 7.770 0.02 . 1 . . . . 37 ILE H . 15774 1 168 . 1 1 61 61 ILE C C 13 176.330 0.30 . 1 . . . . 37 ILE C . 15774 1 169 . 1 1 61 61 ILE CA C 13 61.680 0.30 . 1 . . . . 37 ILE CA . 15774 1 170 . 1 1 61 61 ILE CB C 13 38.140 0.30 . 1 . . . . 37 ILE CB . 15774 1 171 . 1 1 61 61 ILE N N 15 117.480 0.25 . 1 . . . . 37 ILE N . 15774 1 172 . 1 1 62 62 HIS H H 1 8.240 0.02 . 1 . . . . 38 HIS H . 15774 1 173 . 1 1 62 62 HIS C C 13 175.130 0.30 . 1 . . . . 38 HIS C . 15774 1 174 . 1 1 62 62 HIS CA C 13 55.060 0.30 . 1 . . . . 38 HIS CA . 15774 1 175 . 1 1 62 62 HIS CB C 13 28.810 0.30 . 1 . . . . 38 HIS CB . 15774 1 176 . 1 1 62 62 HIS N N 15 119.080 0.25 . 1 . . . . 38 HIS N . 15774 1 177 . 1 1 63 63 THR H H 1 8.140 0.02 . 1 . . . . 39 THR H . 15774 1 178 . 1 1 63 63 THR CA C 13 60.680 0.30 . 1 . . . . 39 THR CA . 15774 1 179 . 1 1 63 63 THR CB C 13 69.190 0.30 . 1 . . . . 39 THR CB . 15774 1 180 . 1 1 63 63 THR N N 15 116.510 0.25 . 1 . . . . 39 THR N . 15774 1 181 . 1 1 64 64 PRO C C 13 177.630 0.30 . 1 . . . . 40 PRO C . 15774 1 182 . 1 1 64 64 PRO CA C 13 63.720 0.30 . 1 . . . . 40 PRO CA . 15774 1 183 . 1 1 64 64 PRO CB C 13 31.660 0.30 . 1 . . . . 40 PRO CB . 15774 1 184 . 1 1 65 65 ALA H H 1 8.340 0.02 . 1 . . . . 41 ALA H . 15774 1 185 . 1 1 65 65 ALA C C 13 178.850 0.30 . 1 . . . . 41 ALA C . 15774 1 186 . 1 1 65 65 ALA CA C 13 52.840 0.30 . 1 . . . . 41 ALA CA . 15774 1 187 . 1 1 65 65 ALA CB C 13 18.990 0.30 . 1 . . . . 41 ALA CB . 15774 1 188 . 1 1 65 65 ALA N N 15 122.640 0.25 . 1 . . . . 41 ALA N . 15774 1 189 . 1 1 66 66 ARG H H 1 8.210 0.02 . 1 . . . . 42 ARG H . 15774 1 190 . 1 1 66 66 ARG C C 13 177.160 0.30 . 1 . . . . 42 ARG C . 15774 1 191 . 1 1 66 66 ARG CA C 13 56.480 0.30 . 1 . . . . 42 ARG CA . 15774 1 192 . 1 1 66 66 ARG CB C 13 30.510 0.30 . 1 . . . . 42 ARG CB . 15774 1 193 . 1 1 66 66 ARG N N 15 118.870 0.25 . 1 . . . . 42 ARG N . 15774 1 194 . 1 1 67 67 ARG H H 1 8.250 0.02 . 1 . . . . 43 ARG H . 15774 1 195 . 1 1 67 67 ARG C C 13 177.550 0.30 . 1 . . . . 43 ARG C . 15774 1 196 . 1 1 67 67 ARG CA C 13 56.390 0.30 . 1 . . . . 43 ARG CA . 15774 1 197 . 1 1 67 67 ARG CB C 13 30.590 0.30 . 1 . . . . 43 ARG CB . 15774 1 198 . 1 1 67 67 ARG N N 15 120.360 0.25 . 1 . . . . 43 ARG N . 15774 1 199 . 1 1 68 68 GLY H H 1 8.380 0.02 . 1 . . . . 44 GLY H . 15774 1 200 . 1 1 68 68 GLY C C 13 174.970 0.30 . 1 . . . . 44 GLY C . 15774 1 201 . 1 1 68 68 GLY CA C 13 45.540 0.30 . 1 . . . . 44 GLY CA . 15774 1 202 . 1 1 68 68 GLY N N 15 108.580 0.25 . 1 . . . . 44 GLY N . 15774 1 203 . 1 1 69 69 PHE H H 1 8.240 0.02 . 1 . . . . 45 PHE H . 15774 1 204 . 1 1 69 69 PHE C C 13 176.280 0.30 . 1 . . . . 45 PHE C . 15774 1 205 . 1 1 69 69 PHE CA C 13 58.950 0.30 . 1 . . . . 45 PHE CA . 15774 1 206 . 1 1 69 69 PHE CB C 13 39.700 0.30 . 1 . . . . 45 PHE CB . 15774 1 207 . 1 1 69 69 PHE N N 15 119.970 0.25 . 1 . . . . 45 PHE N . 15774 1 208 . 1 1 70 70 PHE H H 1 8.240 0.02 . 1 . . . . 46 PHE H . 15774 1 209 . 1 1 70 70 PHE C C 13 176.340 0.30 . 1 . . . . 46 PHE C . 15774 1 210 . 1 1 70 70 PHE CA C 13 57.840 0.30 . 1 . . . . 46 PHE CA . 15774 1 211 . 1 1 70 70 PHE CB C 13 39.230 0.30 . 1 . . . . 46 PHE CB . 15774 1 212 . 1 1 70 70 PHE N N 15 118.100 0.25 . 1 . . . . 46 PHE N . 15774 1 213 . 1 1 71 71 ARG H H 1 8.270 0.02 . 1 . . . . 47 ARG H . 15774 1 214 . 1 1 71 71 ARG CA C 13 56.160 0.30 . 1 . . . . 47 ARG CA . 15774 1 215 . 1 1 71 71 ARG CB C 13 30.700 0.30 . 1 . . . . 47 ARG CB . 15774 1 216 . 1 1 71 71 ARG N N 15 120.750 0.25 . 1 . . . . 47 ARG N . 15774 1 217 . 1 1 72 72 SER H H 1 8.270 0.02 . 1 . . . . 48 SER H . 15774 1 218 . 1 1 72 72 SER C C 13 174.640 0.30 . 1 . . . . 48 SER C . 15774 1 219 . 1 1 72 72 SER CA C 13 58.290 0.30 . 1 . . . . 48 SER CA . 15774 1 220 . 1 1 72 72 SER N N 15 116.120 0.25 . 1 . . . . 48 SER N . 15774 1 221 . 1 1 73 73 ASN H H 1 8.500 0.02 . 1 . . . . 49 ASN H . 15774 1 222 . 1 1 73 73 ASN CA C 13 51.570 0.30 . 1 . . . . 49 ASN CA . 15774 1 223 . 1 1 73 73 ASN CB C 13 38.880 0.30 . 1 . . . . 49 ASN CB . 15774 1 224 . 1 1 73 73 ASN N N 15 120.870 0.25 . 1 . . . . 49 ASN N . 15774 1 225 . 1 1 74 74 PRO C C 13 177.700 0.30 . 1 . . . . 50 PRO C . 15774 1 226 . 1 1 74 74 PRO CA C 13 63.710 0.30 . 1 . . . . 50 PRO CA . 15774 1 227 . 1 1 74 74 PRO CB C 13 31.790 0.30 . 1 . . . . 50 PRO CB . 15774 1 228 . 1 1 75 75 GLU H H 1 8.430 0.02 . 1 . . . . 51 GLU H . 15774 1 229 . 1 1 75 75 GLU CA C 13 56.490 0.30 . 1 . . . . 51 GLU CA . 15774 1 230 . 1 1 75 75 GLU CB C 13 29.110 0.30 . 1 . . . . 51 GLU CB . 15774 1 231 . 1 1 75 75 GLU N N 15 119.370 0.25 . 1 . . . . 51 GLU N . 15774 1 232 . 1 1 76 76 ARG C C 13 176.910 0.30 . 1 . . . . 52 ARG C . 15774 1 233 . 1 1 76 76 ARG CA C 13 56.180 0.30 . 1 . . . . 52 ARG CA . 15774 1 234 . 1 1 77 77 ILE H H 1 8.110 0.02 . 1 . . . . 53 ILE H . 15774 1 235 . 1 1 77 77 ILE C C 13 176.350 0.30 . 1 . . . . 53 ILE C . 15774 1 236 . 1 1 77 77 ILE CA C 13 61.160 0.30 . 1 . . . . 53 ILE CA . 15774 1 237 . 1 1 77 77 ILE CB C 13 38.640 0.30 . 1 . . . . 53 ILE CB . 15774 1 238 . 1 1 77 77 ILE N N 15 120.750 0.25 . 1 . . . . 53 ILE N . 15774 1 239 . 1 1 78 78 GLN H H 1 8.460 0.02 . 1 . . . . 54 GLN H . 15774 1 240 . 1 1 78 78 GLN C C 13 176.570 0.30 . 1 . . . . 54 GLN C . 15774 1 241 . 1 1 78 78 GLN CA C 13 55.270 0.30 . 1 . . . . 54 GLN CA . 15774 1 242 . 1 1 78 78 GLN CB C 13 29.430 0.30 . 1 . . . . 54 GLN CB . 15774 1 243 . 1 1 78 78 GLN N N 15 124.800 0.25 . 1 . . . . 54 GLN N . 15774 1 244 . 1 1 79 79 ILE H H 1 8.330 0.02 . 1 . . . . 55 ILE H . 15774 1 245 . 1 1 79 79 ILE C C 13 177.250 0.30 . 1 . . . . 55 ILE C . 15774 1 246 . 1 1 79 79 ILE CA C 13 61.760 0.30 . 1 . . . . 55 ILE CA . 15774 1 247 . 1 1 79 79 ILE CB C 13 38.550 0.30 . 1 . . . . 55 ILE CB . 15774 1 248 . 1 1 79 79 ILE N N 15 121.610 0.25 . 1 . . . . 55 ILE N . 15774 1 249 . 1 1 80 80 GLY H H 1 8.410 0.02 . 1 . . . . 56 GLY H . 15774 1 250 . 1 1 80 80 GLY C C 13 175.210 0.30 . 1 . . . . 56 GLY C . 15774 1 251 . 1 1 80 80 GLY CA C 13 45.750 0.30 . 1 . . . . 56 GLY CA . 15774 1 252 . 1 1 80 80 GLY N N 15 110.750 0.25 . 1 . . . . 56 GLY N . 15774 1 253 . 1 1 81 81 ASP H H 1 8.320 0.02 . 1 . . . . 57 ASP H . 15774 1 254 . 1 1 81 81 ASP C C 13 177.970 0.30 . 1 . . . . 57 ASP C . 15774 1 255 . 1 1 81 81 ASP CA C 13 53.920 0.30 . 1 . . . . 57 ASP CA . 15774 1 256 . 1 1 81 81 ASP CB C 13 40.160 0.30 . 1 . . . . 57 ASP CB . 15774 1 257 . 1 1 81 81 ASP N N 15 120.900 0.25 . 1 . . . . 57 ASP N . 15774 1 258 . 1 1 82 82 TRP H H 1 8.410 0.02 . 1 . . . . 58 TRP H . 15774 1 259 . 1 1 82 82 TRP C C 13 178.170 0.30 . 1 . . . . 58 TRP C . 15774 1 260 . 1 1 82 82 TRP CA C 13 59.380 0.30 . 1 . . . . 58 TRP CA . 15774 1 261 . 1 1 82 82 TRP CB C 13 28.510 0.30 . 1 . . . . 58 TRP CB . 15774 1 262 . 1 1 82 82 TRP N N 15 123.300 0.25 . 1 . . . . 58 TRP N . 15774 1 263 . 1 1 83 83 ARG H H 1 7.830 0.02 . 1 . . . . 59 ARG H . 15774 1 264 . 1 1 83 83 ARG CA C 13 59.640 0.30 . 1 . . . . 59 ARG CA . 15774 1 265 . 1 1 83 83 ARG CB C 13 29.410 0.30 . 1 . . . . 59 ARG CB . 15774 1 266 . 1 1 83 83 ARG N N 15 120.800 0.25 . 1 . . . . 59 ARG N . 15774 1 267 . 1 1 84 84 TYR H H 1 7.770 0.02 . 1 . . . . 60 TYR H . 15774 1 268 . 1 1 84 84 TYR C C 13 178.850 0.30 . 1 . . . . 60 TYR C . 15774 1 269 . 1 1 84 84 TYR CA C 13 60.880 0.30 . 1 . . . . 60 TYR CA . 15774 1 270 . 1 1 84 84 TYR CB C 13 38.130 0.30 . 1 . . . . 60 TYR CB . 15774 1 271 . 1 1 84 84 TYR N N 15 118.830 0.25 . 1 . . . . 60 TYR N . 15774 1 272 . 1 1 85 85 GLU H H 1 8.210 0.02 . 1 . . . . 61 GLU H . 15774 1 273 . 1 1 85 85 GLU C C 13 179.220 0.30 . 1 . . . . 61 GLU C . 15774 1 274 . 1 1 85 85 GLU CA C 13 58.750 0.30 . 1 . . . . 61 GLU CA . 15774 1 275 . 1 1 85 85 GLU CB C 13 28.630 0.30 . 1 . . . . 61 GLU CB . 15774 1 276 . 1 1 85 85 GLU N N 15 119.360 0.25 . 1 . . . . 61 GLU N . 15774 1 277 . 1 1 86 86 VAL H H 1 8.430 0.02 . 1 . . . . 62 VAL H . 15774 1 278 . 1 1 86 86 VAL C C 13 177.850 0.30 . 1 . . . . 62 VAL C . 15774 1 279 . 1 1 86 86 VAL CA C 13 66.300 0.30 . 1 . . . . 62 VAL CA . 15774 1 280 . 1 1 86 86 VAL CB C 13 31.680 0.30 . 1 . . . . 62 VAL CB . 15774 1 281 . 1 1 86 86 VAL N N 15 117.930 0.25 . 1 . . . . 62 VAL N . 15774 1 282 . 1 1 87 87 ALA H H 1 7.900 0.02 . 1 . . . . 63 ALA H . 15774 1 283 . 1 1 87 87 ALA C C 13 179.690 0.30 . 1 . . . . 63 ALA C . 15774 1 284 . 1 1 87 87 ALA CA C 13 54.740 0.30 . 1 . . . . 63 ALA CA . 15774 1 285 . 1 1 87 87 ALA CB C 13 18.520 0.30 . 1 . . . . 63 ALA CB . 15774 1 286 . 1 1 87 87 ALA N N 15 120.800 0.25 . 1 . . . . 63 ALA N . 15774 1 287 . 1 1 88 88 HIS H H 1 8.340 0.02 . 1 . . . . 64 HIS H . 15774 1 288 . 1 1 88 88 HIS C C 13 176.980 0.30 . 1 . . . . 64 HIS C . 15774 1 289 . 1 1 88 88 HIS CA C 13 58.180 0.30 . 1 . . . . 64 HIS CA . 15774 1 290 . 1 1 88 88 HIS CB C 13 28.250 0.30 . 1 . . . . 64 HIS CB . 15774 1 291 . 1 1 88 88 HIS N N 15 114.940 0.25 . 1 . . . . 64 HIS N . 15774 1 292 . 1 1 89 89 ASP H H 1 8.610 0.02 . 1 . . . . 65 ASP H . 15774 1 293 . 1 1 89 89 ASP C C 13 178.200 0.30 . 1 . . . . 65 ASP C . 15774 1 294 . 1 1 89 89 ASP CA C 13 55.150 0.30 . 1 . . . . 65 ASP CA . 15774 1 295 . 1 1 89 89 ASP CB C 13 38.440 0.30 . 1 . . . . 65 ASP CB . 15774 1 296 . 1 1 89 89 ASP N N 15 118.510 0.25 . 1 . . . . 65 ASP N . 15774 1 297 . 1 1 90 90 GLY H H 1 8.720 0.02 . 1 . . . . 66 GLY H . 15774 1 298 . 1 1 90 90 GLY C C 13 175.700 0.30 . 1 . . . . 66 GLY C . 15774 1 299 . 1 1 90 90 GLY CA C 13 47.790 0.30 . 1 . . . . 66 GLY CA . 15774 1 300 . 1 1 90 90 GLY N N 15 109.190 0.25 . 1 . . . . 66 GLY N . 15774 1 301 . 1 1 91 91 ARG H H 1 8.210 0.02 . 1 . . . . 67 ARG H . 15774 1 302 . 1 1 91 91 ARG C C 13 179.250 0.30 . 1 . . . . 67 ARG C . 15774 1 303 . 1 1 91 91 ARG CA C 13 59.660 0.30 . 1 . . . . 67 ARG CA . 15774 1 304 . 1 1 91 91 ARG CB C 13 29.510 0.30 . 1 . . . . 67 ARG CB . 15774 1 305 . 1 1 91 91 ARG N N 15 120.580 0.25 . 1 . . . . 67 ARG N . 15774 1 306 . 1 1 92 92 LEU H H 1 7.780 0.02 . 1 . . . . 68 LEU H . 15774 1 307 . 1 1 92 92 LEU C C 13 180.220 0.30 . 1 . . . . 68 LEU C . 15774 1 308 . 1 1 92 92 LEU CA C 13 57.580 0.30 . 1 . . . . 68 LEU CA . 15774 1 309 . 1 1 92 92 LEU CB C 13 41.690 0.30 . 1 . . . . 68 LEU CB . 15774 1 310 . 1 1 92 92 LEU N N 15 119.780 0.25 . 1 . . . . 68 LEU N . 15774 1 311 . 1 1 93 93 LEU H H 1 8.150 0.02 . 1 . . . . 69 LEU H . 15774 1 312 . 1 1 93 93 LEU C C 13 179.700 0.30 . 1 . . . . 69 LEU C . 15774 1 313 . 1 1 93 93 LEU CA C 13 57.970 0.30 . 1 . . . . 69 LEU CA . 15774 1 314 . 1 1 93 93 LEU CB C 13 41.750 0.30 . 1 . . . . 69 LEU CB . 15774 1 315 . 1 1 93 93 LEU N N 15 119.600 0.25 . 1 . . . . 69 LEU N . 15774 1 316 . 1 1 94 94 ALA H H 1 8.060 0.02 . 1 . . . . 70 ALA H . 15774 1 317 . 1 1 94 94 ALA C C 13 178.310 0.30 . 1 . . . . 70 ALA C . 15774 1 318 . 1 1 94 94 ALA CA C 13 56.020 0.30 . 1 . . . . 70 ALA CA . 15774 1 319 . 1 1 94 94 ALA N N 15 118.590 0.25 . 1 . . . . 70 ALA N . 15774 1 320 . 1 1 95 95 ALA H H 1 8.300 0.02 . 1 . . . . 71 ALA H . 15774 1 321 . 1 1 95 95 ALA CA C 13 54.890 0.30 . 1 . . . . 71 ALA CA . 15774 1 322 . 1 1 95 95 ALA N N 15 122.840 0.25 . 1 . . . . 71 ALA N . 15774 1 323 . 1 1 97 97 MET CA C 13 58.070 0.30 . 1 . . . . 73 MET CA . 15774 1 324 . 1 1 98 98 VAL H H 1 8.110 0.02 . 1 . . . . 74 VAL H . 15774 1 325 . 1 1 98 98 VAL C C 13 180.030 0.30 . 1 . . . . 74 VAL C . 15774 1 326 . 1 1 98 98 VAL CA C 13 65.400 0.30 . 1 . . . . 74 VAL CA . 15774 1 327 . 1 1 98 98 VAL N N 15 117.140 0.25 . 1 . . . . 74 VAL N . 15774 1 328 . 1 1 99 99 ASN H H 1 8.090 0.02 . 1 . . . . 75 ASN H . 15774 1 329 . 1 1 99 99 ASN C C 13 177.990 0.30 . 1 . . . . 75 ASN C . 15774 1 330 . 1 1 99 99 ASN CA C 13 55.180 0.30 . 1 . . . . 75 ASN CA . 15774 1 331 . 1 1 99 99 ASN CB C 13 38.420 0.30 . 1 . . . . 75 ASN CB . 15774 1 332 . 1 1 99 99 ASN N N 15 117.820 0.25 . 1 . . . . 75 ASN N . 15774 1 333 . 1 1 100 100 GLY H H 1 8.400 0.02 . 1 . . . . 76 GLY H . 15774 1 334 . 1 1 100 100 GLY C C 13 175.350 0.30 . 1 . . . . 76 GLY C . 15774 1 335 . 1 1 100 100 GLY CA C 13 46.890 0.30 . 1 . . . . 76 GLY CA . 15774 1 336 . 1 1 100 100 GLY N N 15 107.050 0.25 . 1 . . . . 76 GLY N . 15774 1 337 . 1 1 101 101 ILE H H 1 8.110 0.02 . 1 . . . . 77 ILE H . 15774 1 338 . 1 1 101 101 ILE C C 13 177.620 0.30 . 1 . . . . 77 ILE C . 15774 1 339 . 1 1 101 101 ILE CA C 13 64.040 0.30 . 1 . . . . 77 ILE CA . 15774 1 340 . 1 1 101 101 ILE CB C 13 37.900 0.30 . 1 . . . . 77 ILE CB . 15774 1 341 . 1 1 101 101 ILE N N 15 120.750 0.25 . 1 . . . . 77 ILE N . 15774 1 342 . 1 1 102 102 VAL H H 1 8.030 0.02 . 1 . . . . 78 VAL H . 15774 1 343 . 1 1 102 102 VAL C C 13 178.430 0.30 . 1 . . . . 78 VAL C . 15774 1 344 . 1 1 102 102 VAL CA C 13 65.680 0.30 . 1 . . . . 78 VAL CA . 15774 1 345 . 1 1 102 102 VAL CB C 13 31.650 0.30 . 1 . . . . 78 VAL CB . 15774 1 346 . 1 1 102 102 VAL N N 15 120.640 0.25 . 1 . . . . 78 VAL N . 15774 1 347 . 1 1 103 103 ILE H H 1 7.930 0.02 . 1 . . . . 79 ILE H . 15774 1 348 . 1 1 103 103 ILE C C 13 178.710 0.30 . 1 . . . . 79 ILE C . 15774 1 349 . 1 1 103 103 ILE CA C 13 64.060 0.30 . 1 . . . . 79 ILE CA . 15774 1 350 . 1 1 103 103 ILE CB C 13 37.620 0.30 . 1 . . . . 79 ILE CB . 15774 1 351 . 1 1 103 103 ILE N N 15 120.050 0.25 . 1 . . . . 79 ILE N . 15774 1 352 . 1 1 104 104 ALA H H 1 8.200 0.02 . 1 . . . . 80 ALA H . 15774 1 353 . 1 1 104 104 ALA C C 13 180.360 0.30 . 1 . . . . 80 ALA C . 15774 1 354 . 1 1 104 104 ALA CA C 13 54.730 0.30 . 1 . . . . 80 ALA CA . 15774 1 355 . 1 1 104 104 ALA CB C 13 18.470 0.30 . 1 . . . . 80 ALA CB . 15774 1 356 . 1 1 104 104 ALA N N 15 122.660 0.25 . 1 . . . . 80 ALA N . 15774 1 357 . 1 1 105 105 GLU H H 1 8.040 0.02 . 1 . . . . 81 GLU H . 15774 1 358 . 1 1 105 105 GLU CA C 13 57.400 0.30 . 1 . . . . 81 GLU CA . 15774 1 359 . 1 1 105 105 GLU N N 15 114.170 0.25 . 1 . . . . 81 GLU N . 15774 1 360 . 1 1 106 106 ASP H H 1 8.270 0.02 . 1 . . . . 82 ASP H . 15774 1 361 . 1 1 106 106 ASP C C 13 179.620 0.30 . 1 . . . . 82 ASP C . 15774 1 362 . 1 1 106 106 ASP CA C 13 58.070 0.30 . 1 . . . . 82 ASP CA . 15774 1 363 . 1 1 106 106 ASP CB C 13 39.410 0.30 . 1 . . . . 82 ASP CB . 15774 1 364 . 1 1 106 106 ASP N N 15 118.550 0.25 . 1 . . . . 82 ASP N . 15774 1 365 . 1 1 107 107 ALA H H 1 8.400 0.02 . 1 . . . . 83 ALA H . 15774 1 366 . 1 1 107 107 ALA CA C 13 55.200 0.30 . 1 . . . . 83 ALA CA . 15774 1 367 . 1 1 107 107 ALA CB C 13 18.250 0.30 . 1 . . . . 83 ALA CB . 15774 1 368 . 1 1 107 107 ALA N N 15 120.590 0.25 . 1 . . . . 83 ALA N . 15774 1 369 . 1 1 108 108 LEU H H 1 8.140 0.02 . 1 . . . . 84 LEU H . 15774 1 370 . 1 1 108 108 LEU CA C 13 55.210 0.30 . 1 . . . . 84 LEU CA . 15774 1 371 . 1 1 108 108 LEU N N 15 118.140 0.25 . 1 . . . . 84 LEU N . 15774 1 372 . 1 1 109 109 ILE H H 1 8.120 0.02 . 1 . . . . 85 ILE H . 15774 1 373 . 1 1 109 109 ILE C C 13 178.630 0.30 . 1 . . . . 85 ILE C . 15774 1 374 . 1 1 109 109 ILE CA C 13 64.390 0.30 . 1 . . . . 85 ILE CA . 15774 1 375 . 1 1 109 109 ILE N N 15 118.170 0.25 . 1 . . . . 85 ILE N . 15774 1 376 . 1 1 110 110 ALA H H 1 8.140 0.02 . 1 . . . . 86 ALA H . 15774 1 377 . 1 1 110 110 ALA C C 13 180.270 0.30 . 1 . . . . 86 ALA C . 15774 1 378 . 1 1 110 110 ALA CA C 13 54.700 0.30 . 1 . . . . 86 ALA CA . 15774 1 379 . 1 1 110 110 ALA CB C 13 18.330 0.30 . 1 . . . . 86 ALA CB . 15774 1 380 . 1 1 110 110 ALA N N 15 121.680 0.25 . 1 . . . . 86 ALA N . 15774 1 381 . 1 1 111 111 GLU H H 1 8.080 0.02 . 1 . . . . 87 GLU H . 15774 1 382 . 1 1 111 111 GLU C C 13 177.360 0.30 . 1 . . . . 87 GLU C . 15774 1 383 . 1 1 111 111 GLU CA C 13 57.100 0.30 . 1 . . . . 87 GLU CA . 15774 1 384 . 1 1 111 111 GLU CB C 13 28.520 0.30 . 1 . . . . 87 GLU CB . 15774 1 385 . 1 1 111 111 GLU N N 15 115.090 0.25 . 1 . . . . 87 GLU N . 15774 1 386 . 1 1 112 112 ALA H H 1 8.080 0.02 . 1 . . . . 88 ALA H . 15774 1 387 . 1 1 112 112 ALA C C 13 178.890 0.30 . 1 . . . . 88 ALA C . 15774 1 388 . 1 1 112 112 ALA CA C 13 53.600 0.30 . 1 . . . . 88 ALA CA . 15774 1 389 . 1 1 112 112 ALA CB C 13 18.990 0.30 . 1 . . . . 88 ALA CB . 15774 1 390 . 1 1 112 112 ALA N N 15 120.180 0.25 . 1 . . . . 88 ALA N . 15774 1 391 . 1 1 113 113 VAL H H 1 8.040 0.02 . 1 . . . . 89 VAL H . 15774 1 392 . 1 1 113 113 VAL C C 13 177.630 0.30 . 1 . . . . 89 VAL C . 15774 1 393 . 1 1 113 113 VAL CA C 13 63.370 0.30 . 1 . . . . 89 VAL CA . 15774 1 394 . 1 1 113 113 VAL N N 15 113.240 0.25 . 1 . . . . 89 VAL N . 15774 1 395 . 1 1 114 114 GLY H H 1 8.410 0.02 . 1 . . . . 90 GLY H . 15774 1 396 . 1 1 114 114 GLY CA C 13 47.230 0.30 . 1 . . . . 90 GLY CA . 15774 1 397 . 1 1 114 114 GLY N N 15 109.600 0.25 . 1 . . . . 90 GLY N . 15774 1 398 . 1 1 115 115 PRO C C 13 179.600 0.30 . 1 . . . . 91 PRO C . 15774 1 399 . 1 1 115 115 PRO CA C 13 65.260 0.30 . 1 . . . . 91 PRO CA . 15774 1 400 . 1 1 116 116 HIS H H 1 8.180 0.02 . 1 . . . . 92 HIS H . 15774 1 401 . 1 1 116 116 HIS C C 13 177.860 0.30 . 1 . . . . 92 HIS C . 15774 1 402 . 1 1 116 116 HIS CA C 13 57.790 0.30 . 1 . . . . 92 HIS CA . 15774 1 403 . 1 1 116 116 HIS CB C 13 28.230 0.30 . 1 . . . . 92 HIS CB . 15774 1 404 . 1 1 116 116 HIS N N 15 115.280 0.25 . 1 . . . . 92 HIS N . 15774 1 405 . 1 1 117 117 LEU H H 1 8.450 0.02 . 1 . . . . 93 LEU H . 15774 1 406 . 1 1 117 117 LEU C C 13 178.920 0.30 . 1 . . . . 93 LEU C . 15774 1 407 . 1 1 117 117 LEU CA C 13 57.910 0.30 . 1 . . . . 93 LEU CA . 15774 1 408 . 1 1 117 117 LEU CB C 13 41.680 0.30 . 1 . . . . 93 LEU CB . 15774 1 409 . 1 1 117 117 LEU N N 15 121.200 0.25 . 1 . . . . 93 LEU N . 15774 1 410 . 1 1 118 118 ALA H H 1 8.610 0.02 . 1 . . . . 94 ALA H . 15774 1 411 . 1 1 118 118 ALA C C 13 180.630 0.30 . 1 . . . . 94 ALA C . 15774 1 412 . 1 1 118 118 ALA CA C 13 55.760 0.30 . 1 . . . . 94 ALA CA . 15774 1 413 . 1 1 118 118 ALA CB C 13 18.060 0.30 . 1 . . . . 94 ALA CB . 15774 1 414 . 1 1 118 118 ALA N N 15 120.460 0.25 . 1 . . . . 94 ALA N . 15774 1 415 . 1 1 119 119 ARG H H 1 7.980 0.02 . 1 . . . . 95 ARG H . 15774 1 416 . 1 1 119 119 ARG C C 13 179.840 0.30 . 1 . . . . 95 ARG C . 15774 1 417 . 1 1 119 119 ARG CA C 13 59.090 0.30 . 1 . . . . 95 ARG CA . 15774 1 418 . 1 1 119 119 ARG CB C 13 29.860 0.30 . 1 . . . . 95 ARG CB . 15774 1 419 . 1 1 119 119 ARG N N 15 117.020 0.25 . 1 . . . . 95 ARG N . 15774 1 420 . 1 1 120 120 ALA H H 1 8.060 0.02 . 1 . . . . 96 ALA H . 15774 1 421 . 1 1 120 120 ALA C C 13 180.860 0.30 . 1 . . . . 96 ALA C . 15774 1 422 . 1 1 120 120 ALA CA C 13 55.070 0.30 . 1 . . . . 96 ALA CA . 15774 1 423 . 1 1 120 120 ALA CB C 13 18.270 0.30 . 1 . . . . 96 ALA CB . 15774 1 424 . 1 1 120 120 ALA N N 15 122.080 0.25 . 1 . . . . 96 ALA N . 15774 1 425 . 1 1 121 121 LEU H H 1 8.570 0.02 . 1 . . . . 97 LEU H . 15774 1 426 . 1 1 121 121 LEU C C 13 180.010 0.30 . 1 . . . . 97 LEU C . 15774 1 427 . 1 1 121 121 LEU CA C 13 57.810 0.30 . 1 . . . . 97 LEU CA . 15774 1 428 . 1 1 121 121 LEU CB C 13 41.550 0.30 . 1 . . . . 97 LEU CB . 15774 1 429 . 1 1 121 121 LEU N N 15 117.300 0.25 . 1 . . . . 97 LEU N . 15774 1 430 . 1 1 122 122 GLY H H 1 8.530 0.02 . 1 . . . . 98 GLY H . 15774 1 431 . 1 1 122 122 GLY C C 13 177.180 0.30 . 1 . . . . 98 GLY C . 15774 1 432 . 1 1 122 122 GLY CA C 13 47.640 0.30 . 1 . . . . 98 GLY CA . 15774 1 433 . 1 1 122 122 GLY N N 15 106.150 0.25 . 1 . . . . 98 GLY N . 15774 1 434 . 1 1 123 123 GLN H H 1 8.110 0.02 . 1 . . . . 99 GLN H . 15774 1 435 . 1 1 123 123 GLN C C 13 179.580 0.30 . 1 . . . . 99 GLN C . 15774 1 436 . 1 1 123 123 GLN CA C 13 58.800 0.30 . 1 . . . . 99 GLN CA . 15774 1 437 . 1 1 123 123 GLN CB C 13 28.440 0.30 . 1 . . . . 99 GLN CB . 15774 1 438 . 1 1 123 123 GLN N N 15 120.750 0.25 . 1 . . . . 99 GLN N . 15774 1 439 . 1 1 124 124 ILE H H 1 8.090 0.02 . 1 . . . . 100 ILE H . 15774 1 440 . 1 1 124 124 ILE C C 13 178.58 0.30 . 1 . . . . 100 ILE C . 15774 1 441 . 1 1 124 124 ILE CA C 13 65.050 0.30 . 1 . . . . 100 ILE CA . 15774 1 442 . 1 1 124 124 ILE CB C 13 38.240 0.30 . 1 . . . . 100 ILE CB . 15774 1 443 . 1 1 124 124 ILE N N 15 120.100 0.25 . 1 . . . . 100 ILE N . 15774 1 444 . 1 1 125 125 VAL H H 1 8.490 0.02 . 1 . . . . 101 VAL H . 15774 1 445 . 1 1 125 125 VAL C C 13 179.140 0.30 . 1 . . . . 101 VAL C . 15774 1 446 . 1 1 125 125 VAL CA C 13 66.790 0.30 . 1 . . . . 101 VAL CA . 15774 1 447 . 1 1 125 125 VAL CB C 13 31.210 0.30 . 1 . . . . 101 VAL CB . 15774 1 448 . 1 1 125 125 VAL N N 15 118.780 0.25 . 1 . . . . 101 VAL N . 15774 1 449 . 1 1 126 126 SER H H 1 8.210 0.02 . 1 . . . . 102 SER H . 15774 1 450 . 1 1 126 126 SER C C 13 177.040 0.30 . 1 . . . . 102 SER C . 15774 1 451 . 1 1 126 126 SER CA C 13 61.650 0.30 . 1 . . . . 102 SER CA . 15774 1 452 . 1 1 126 126 SER CB C 13 62.970 0.30 . 1 . . . . 102 SER CB . 15774 1 453 . 1 1 126 126 SER N N 15 114.620 0.25 . 1 . . . . 102 SER N . 15774 1 454 . 1 1 127 127 ARG H H 1 7.880 0.02 . 1 . . . . 103 ARG H . 15774 1 455 . 1 1 127 127 ARG C C 13 178.880 0.30 . 1 . . . . 103 ARG C . 15774 1 456 . 1 1 127 127 ARG CA C 13 58.270 0.30 . 1 . . . . 103 ARG CA . 15774 1 457 . 1 1 127 127 ARG CB C 13 30.390 0.30 . 1 . . . . 103 ARG CB . 15774 1 458 . 1 1 127 127 ARG N N 15 119.660 0.25 . 1 . . . . 103 ARG N . 15774 1 459 . 1 1 128 128 TYR H H 1 8.170 0.02 . 1 . . . . 104 TYR H . 15774 1 460 . 1 1 128 128 TYR C C 13 178.170 0.30 . 1 . . . . 104 TYR C . 15774 1 461 . 1 1 128 128 TYR CA C 13 59.150 0.30 . 1 . . . . 104 TYR CA . 15774 1 462 . 1 1 128 128 TYR CB C 13 39.540 0.30 . 1 . . . . 104 TYR CB . 15774 1 463 . 1 1 128 128 TYR N N 15 115.450 0.25 . 1 . . . . 104 TYR N . 15774 1 464 . 1 1 129 129 GLY H H 1 8.540 0.02 . 1 . . . . 105 GLY H . 15774 1 465 . 1 1 129 129 GLY C C 13 175.180 0.30 . 1 . . . . 105 GLY C . 15774 1 466 . 1 1 129 129 GLY CA C 13 47.500 0.30 . 1 . . . . 105 GLY CA . 15774 1 467 . 1 1 129 129 GLY N N 15 109.280 0.25 . 1 . . . . 105 GLY N . 15774 1 468 . 1 1 130 130 ALA H H 1 8.410 0.02 . 1 . . . . 106 ALA H . 15774 1 469 . 1 1 130 130 ALA C C 13 179.590 0.30 . 1 . . . . 106 ALA C . 15774 1 470 . 1 1 130 130 ALA CA C 13 54.100 0.30 . 1 . . . . 106 ALA CA . 15774 1 471 . 1 1 130 130 ALA CB C 13 18.670 0.30 . 1 . . . . 106 ALA CB . 15774 1 472 . 1 1 130 130 ALA N N 15 121.220 0.25 . 1 . . . . 106 ALA N . 15774 1 473 . 1 1 131 131 THR H H 1 7.940 0.02 . 1 . . . . 107 THR H . 15774 1 474 . 1 1 131 131 THR C C 13 176.240 0.30 . 1 . . . . 107 THR C . 15774 1 475 . 1 1 131 131 THR CA C 13 63.600 0.30 . 1 . . . . 107 THR CA . 15774 1 476 . 1 1 131 131 THR CB C 13 69.260 0.30 . 1 . . . . 107 THR CB . 15774 1 477 . 1 1 131 131 THR N N 15 109.440 0.25 . 1 . . . . 107 THR N . 15774 1 478 . 1 1 132 132 VAL H H 1 7.890 0.02 . 1 . . . . 108 VAL H . 15774 1 479 . 1 1 132 132 VAL C C 13 177.040 0.30 . 1 . . . . 108 VAL C . 15774 1 480 . 1 1 132 132 VAL CA C 13 64.210 0.30 . 1 . . . . 108 VAL CA . 15774 1 481 . 1 1 132 132 VAL CB C 13 32.680 0.30 . 1 . . . . 108 VAL CB . 15774 1 482 . 1 1 132 132 VAL N N 15 118.270 0.25 . 1 . . . . 108 VAL N . 15774 1 483 . 1 1 133 133 ILE H H 1 8.150 0.02 . 1 . . . . 109 ILE H . 15774 1 484 . 1 1 133 133 ILE CA C 13 63.710 0.30 . 1 . . . . 109 ILE CA . 15774 1 485 . 1 1 133 133 ILE CB C 13 36.330 0.30 . 1 . . . . 109 ILE CB . 15774 1 486 . 1 1 133 133 ILE N N 15 120.210 0.25 . 1 . . . . 109 ILE N . 15774 1 487 . 1 1 134 134 PRO C C 13 178.710 0.30 . 1 . . . . 110 PRO C . 15774 1 488 . 1 1 134 134 PRO CA C 13 65.070 0.30 . 1 . . . . 110 PRO CA . 15774 1 489 . 1 1 134 134 PRO CB C 13 31.240 0.30 . 1 . . . . 110 PRO CB . 15774 1 490 . 1 1 135 135 ASN H H 1 7.790 0.02 . 1 . . . . 111 ASN H . 15774 1 491 . 1 1 135 135 ASN C C 13 177.400 0.30 . 1 . . . . 111 ASN C . 15774 1 492 . 1 1 135 135 ASN CA C 13 54.840 0.30 . 1 . . . . 111 ASN CA . 15774 1 493 . 1 1 135 135 ASN CB C 13 39.100 0.30 . 1 . . . . 111 ASN CB . 15774 1 494 . 1 1 135 135 ASN N N 15 114.690 0.25 . 1 . . . . 111 ASN N . 15774 1 495 . 1 1 136 136 ILE H H 1 8.360 0.02 . 1 . . . . 112 ILE H . 15774 1 496 . 1 1 136 136 ILE C C 13 177.770 0.30 . 1 . . . . 112 ILE C . 15774 1 497 . 1 1 136 136 ILE CA C 13 64.330 0.30 . 1 . . . . 112 ILE CA . 15774 1 498 . 1 1 136 136 ILE CB C 13 37.610 0.30 . 1 . . . . 112 ILE CB . 15774 1 499 . 1 1 136 136 ILE N N 15 121.290 0.25 . 1 . . . . 112 ILE N . 15774 1 500 . 1 1 137 137 ASN H H 1 8.500 0.02 . 1 . . . . 113 ASN H . 15774 1 501 . 1 1 137 137 ASN C C 13 178.310 0.30 . 1 . . . . 113 ASN C . 15774 1 502 . 1 1 137 137 ASN CA C 13 56.450 0.30 . 1 . . . . 113 ASN CA . 15774 1 503 . 1 1 137 137 ASN CB C 13 37.920 0.30 . 1 . . . . 113 ASN CB . 15774 1 504 . 1 1 137 137 ASN N N 15 119.040 0.25 . 1 . . . . 113 ASN N . 15774 1 505 . 1 1 138 138 ALA H H 1 8.010 0.02 . 1 . . . . 114 ALA H . 15774 1 506 . 1 1 138 138 ALA C C 13 180.320 0.30 . 1 . . . . 114 ALA C . 15774 1 507 . 1 1 138 138 ALA CA C 13 54.630 0.30 . 1 . . . . 114 ALA CA . 15774 1 508 . 1 1 138 138 ALA CB C 13 18.310 0.30 . 1 . . . . 114 ALA CB . 15774 1 509 . 1 1 138 138 ALA N N 15 121.380 0.25 . 1 . . . . 114 ALA N . 15774 1 510 . 1 1 139 139 ALA H H 1 7.900 0.02 . 1 . . . . 115 ALA H . 15774 1 511 . 1 1 139 139 ALA C C 13 179.800 0.30 . 1 . . . . 115 ALA C . 15774 1 512 . 1 1 139 139 ALA CA C 13 54.820 0.30 . 1 . . . . 115 ALA CA . 15774 1 513 . 1 1 139 139 ALA CB C 13 18.300 0.30 . 1 . . . . 115 ALA CB . 15774 1 514 . 1 1 139 139 ALA N N 15 119.650 0.25 . 1 . . . . 115 ALA N . 15774 1 515 . 1 1 140 140 ILE H H 1 8.180 0.02 . 1 . . . . 116 ILE H . 15774 1 516 . 1 1 140 140 ILE C C 13 179.040 0.30 . 1 . . . . 116 ILE C . 15774 1 517 . 1 1 140 140 ILE CA C 13 64.540 0.30 . 1 . . . . 116 ILE CA . 15774 1 518 . 1 1 140 140 ILE CB C 13 37.620 0.30 . 1 . . . . 116 ILE CB . 15774 1 519 . 1 1 140 140 ILE N N 15 116.070 0.25 . 1 . . . . 116 ILE N . 15774 1 520 . 1 1 141 141 GLU H H 1 8.010 0.02 . 1 . . . . 117 GLU H . 15774 1 521 . 1 1 141 141 GLU C C 13 179.420 0.30 . 1 . . . . 117 GLU C . 15774 1 522 . 1 1 141 141 GLU CA C 13 58.700 0.30 . 1 . . . . 117 GLU CA . 15774 1 523 . 1 1 141 141 GLU CB C 13 28.140 0.30 . 1 . . . . 117 GLU CB . 15774 1 524 . 1 1 141 141 GLU N N 15 119.000 0.25 . 1 . . . . 117 GLU N . 15774 1 525 . 1 1 142 142 VAL H H 1 7.850 0.02 . 1 . . . . 118 VAL H . 15774 1 526 . 1 1 142 142 VAL C C 13 178.420 0.30 . 1 . . . . 118 VAL C . 15774 1 527 . 1 1 142 142 VAL CA C 13 64.840 0.30 . 1 . . . . 118 VAL CA . 15774 1 528 . 1 1 142 142 VAL CB C 13 31.760 0.30 . 1 . . . . 118 VAL CB . 15774 1 529 . 1 1 142 142 VAL N N 15 117.340 0.25 . 1 . . . . 118 VAL N . 15774 1 530 . 1 1 143 143 LEU H H 1 8.070 0.02 . 1 . . . . 119 LEU H . 15774 1 531 . 1 1 143 143 LEU C C 13 179.010 0.30 . 1 . . . . 119 LEU C . 15774 1 532 . 1 1 143 143 LEU CA C 13 56.680 0.30 . 1 . . . . 119 LEU CA . 15774 1 533 . 1 1 143 143 LEU CB C 13 42.100 0.30 . 1 . . . . 119 LEU CB . 15774 1 534 . 1 1 143 143 LEU N N 15 119.800 0.25 . 1 . . . . 119 LEU N . 15774 1 535 . 1 1 144 144 GLY H H 1 8.210 0.02 . 1 . . . . 120 GLY H . 15774 1 536 . 1 1 144 144 GLY C C 13 175.540 0.30 . 1 . . . . 120 GLY C . 15774 1 537 . 1 1 144 144 GLY CA C 13 45.990 0.30 . 1 . . . . 120 GLY CA . 15774 1 538 . 1 1 144 144 GLY N N 15 105.230 0.25 . 1 . . . . 120 GLY N . 15774 1 539 . 1 1 145 145 THR H H 1 7.960 0.02 . 1 . . . . 121 THR H . 15774 1 540 . 1 1 145 145 THR C C 13 176.490 0.30 . 1 . . . . 121 THR C . 15774 1 541 . 1 1 145 145 THR CA C 13 62.830 0.30 . 1 . . . . 121 THR CA . 15774 1 542 . 1 1 145 145 THR CB C 13 69.670 0.30 . 1 . . . . 121 THR CB . 15774 1 543 . 1 1 145 145 THR N N 15 112.240 0.25 . 1 . . . . 121 THR N . 15774 1 544 . 1 1 146 146 GLY H H 1 8.520 0.02 . 1 . . . . 122 GLY H . 15774 1 545 . 1 1 146 146 GLY C C 13 175.110 0.30 . 1 . . . . 122 GLY C . 15774 1 546 . 1 1 146 146 GLY CA C 13 45.850 0.30 . 1 . . . . 122 GLY CA . 15774 1 547 . 1 1 146 146 GLY N N 15 110.450 0.25 . 1 . . . . 122 GLY N . 15774 1 548 . 1 1 147 147 THR H H 1 8.000 0.02 . 1 . . . . 123 THR H . 15774 1 549 . 1 1 147 147 THR C C 13 175.060 0.30 . 1 . . . . 123 THR C . 15774 1 550 . 1 1 147 147 THR CA C 13 61.980 0.30 . 1 . . . . 123 THR CA . 15774 1 551 . 1 1 147 147 THR CB C 13 69.590 0.30 . 1 . . . . 123 THR CB . 15774 1 552 . 1 1 147 147 THR N N 15 112.120 0.25 . 1 . . . . 123 THR N . 15774 1 553 . 1 1 148 148 ASP H H 1 8.430 0.02 . 1 . . . . 124 ASP H . 15774 1 554 . 1 1 148 148 ASP C C 13 176.030 0.30 . 1 . . . . 124 ASP C . 15774 1 555 . 1 1 148 148 ASP CA C 13 53.740 0.30 . 1 . . . . 124 ASP CA . 15774 1 556 . 1 1 148 148 ASP CB C 13 39.490 0.30 . 1 . . . . 124 ASP CB . 15774 1 557 . 1 1 148 148 ASP N N 15 120.860 0.25 . 1 . . . . 124 ASP N . 15774 1 558 . 1 1 149 149 TYR H H 1 8.050 0.02 . 1 . . . . 125 TYR H . 15774 1 559 . 1 1 149 149 TYR C C 13 175.690 0.30 . 1 . . . . 125 TYR C . 15774 1 560 . 1 1 149 149 TYR CA C 13 58.210 0.30 . 1 . . . . 125 TYR CA . 15774 1 561 . 1 1 149 149 TYR CB C 13 38.510 0.30 . 1 . . . . 125 TYR CB . 15774 1 562 . 1 1 149 149 TYR N N 15 119.900 0.25 . 1 . . . . 125 TYR N . 15774 1 563 . 1 1 150 150 ARG H H 1 7.940 0.02 . 1 . . . . 126 ARG H . 15774 1 564 . 1 1 150 150 ARG C C 13 175.840 0.30 . 1 . . . . 126 ARG C . 15774 1 565 . 1 1 150 150 ARG CA C 13 55.450 0.30 . 1 . . . . 126 ARG CA . 15774 1 566 . 1 1 150 150 ARG CB C 13 30.890 0.30 . 1 . . . . 126 ARG CB . 15774 1 567 . 1 1 150 150 ARG N N 15 121.200 0.25 . 1 . . . . 126 ARG N . 15774 1 568 . 1 1 151 151 PHE H H 1 7.930 0.02 . 1 . . . . 127 PHE H . 15774 1 569 . 1 1 151 151 PHE CA C 13 57.850 0.30 . 1 . . . . 127 PHE CA . 15774 1 570 . 1 1 151 151 PHE CB C 13 39.790 0.30 . 1 . . . . 127 PHE CB . 15774 1 571 . 1 1 151 151 PHE N N 15 122.100 0.25 . 1 . . . . 127 PHE N . 15774 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15774 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 13 '2D 1H-15N HSQC-IPAP' . . . 15774 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $NMRPipe . . 15774 1 2 $SPARKY . . 15774 1 5 $xwinnmr . . 15774 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHNN . 1 1 25 25 MET N N 15 . . 1 1 25 25 MET H H 1 . 0.12 . . 0.2 . . . . 1 MET N . 1 MET H 15774 1 2 1DHNN . 1 1 26 26 SER N N 15 . . 1 1 26 26 SER H H 1 . 0.61 . . 0.2 . . . . 2 SER N . 2 SER H 15774 1 3 1DHNN . 1 1 27 27 ASP N N 15 . . 1 1 27 27 ASP H H 1 . 0.54 . . 0.2 . . . . 3 ASP N . 3 ASP H 15774 1 4 1DHNN . 1 1 28 28 PHE N N 15 . . 1 1 28 28 PHE H H 1 . -0.14 . . 0.2 . . . . 4 PHE N . 4 PHE H 15774 1 5 1DHNN . 1 1 29 29 ASP N N 15 . . 1 1 29 29 ASP H H 1 . -1.53 . . 0.2 . . . . 5 ASP N . 5 ASP H 15774 1 6 1DHNN . 1 1 30 30 THR N N 15 . . 1 1 30 30 THR H H 1 . -2.78 . . 0.2 . . . . 6 THR N . 6 THR H 15774 1 7 1DHNN . 1 1 31 31 GLU N N 15 . . 1 1 31 31 GLU H H 1 . -1.19 . . 0.2 . . . . 7 GLU N . 7 GLU H 15774 1 8 1DHNN . 1 1 32 32 ARG N N 15 . . 1 1 32 32 ARG H H 1 . -0.44 . . 0.2 . . . . 8 ARG N . 8 ARG H 15774 1 9 1DHNN . 1 1 33 33 VAL N N 15 . . 1 1 33 33 VAL H H 1 . -3.32 . . 0.2 . . . . 9 VAL N . 9 VAL H 15774 1 10 1DHNN . 1 1 34 34 SER N N 15 . . 1 1 34 34 SER H H 1 . -3.7 . . 0.2 . . . . 10 SER N . 10 SER H 15774 1 11 1DHNN . 1 1 35 35 ARG N N 15 . . 1 1 35 35 ARG H H 1 . -0.69 . . 0.2 . . . . 11 ARG N . 11 ARG H 15774 1 12 1DHNN . 1 1 36 36 ALA N N 15 . . 1 1 36 36 ALA H H 1 . -1.57 . . 0.2 . . . . 12 ALA N . 12 ALA H 15774 1 13 1DHNN . 1 1 37 37 VAL N N 15 . . 1 1 37 37 VAL H H 1 . -3.14 . . 0.2 . . . . 13 VAL N . 13 VAL H 15774 1 14 1DHNN . 1 1 38 38 ALA N N 15 . . 1 1 38 38 ALA H H 1 . -1.85 . . 0.2 . . . . 14 ALA N . 14 ALA H 15774 1 15 1DHNN . 1 1 39 39 ALA N N 15 . . 1 1 39 39 ALA H H 1 . 0.97 . . 0.2 . . . . 15 ALA N . 15 ALA H 15774 1 16 1DHNN . 1 1 40 40 ALA N N 15 . . 1 1 40 40 ALA H H 1 . -3.79 . . 0.2 . . . . 16 ALA N . 16 ALA H 15774 1 17 1DHNN . 1 1 41 41 LEU N N 15 . . 1 1 41 41 LEU H H 1 . -3.44 . . 0.2 . . . . 17 LEU N . 17 LEU H 15774 1 18 1DHNN . 1 1 42 42 VAL N N 15 . . 1 1 42 42 VAL H H 1 . 0.65 . . 0.2 . . . . 18 VAL N . 18 VAL H 15774 1 19 1DHNN . 1 1 43 43 GLY N N 15 . . 1 1 43 43 GLY H H 1 . 0.74 . . 0.2 . . . . 19 GLY N . 19 GLY H 15774 1 20 1DHNN . 1 1 45 45 GLY N N 15 . . 1 1 45 45 GLY H H 1 . 3.76 . . 0.2 . . . . 21 GLY N . 21 GLY H 15774 1 21 1DHNN . 1 1 46 46 GLY N N 15 . . 1 1 46 46 GLY H H 1 . 4.6 . . 0.2 . . . . 22 GLY N . 22 GLY H 15774 1 22 1DHNN . 1 1 47 47 VAL N N 15 . . 1 1 47 47 VAL H H 1 . 2.72 . . 0.2 . . . . 23 VAL N . 23 VAL H 15774 1 23 1DHNN . 1 1 48 48 ALA N N 15 . . 1 1 48 48 ALA H H 1 . 8.01 . . 0.2 . . . . 24 ALA N . 24 ALA H 15774 1 24 1DHNN . 1 1 49 49 LEU N N 15 . . 1 1 49 49 LEU H H 1 . 5.78 . . 0.2 . . . . 25 LEU N . 25 LEU H 15774 1 25 1DHNN . 1 1 50 50 VAL N N 15 . . 1 1 50 50 VAL H H 1 . 5.76 . . 0.2 . . . . 26 VAL N . 26 VAL H 15774 1 26 1DHNN . 1 1 51 51 VAL N N 15 . . 1 1 51 51 VAL H H 1 . 2.17 . . 0.2 . . . . 27 VAL N . 27 VAL H 15774 1 27 1DHNN . 1 1 52 52 LYS N N 15 . . 1 1 52 52 LYS H H 1 . 7.84 . . 0.2 . . . . 28 LYS N . 28 LYS H 15774 1 28 1DHNN . 1 1 53 53 VAL N N 15 . . 1 1 53 53 VAL H H 1 . 7.17 . . 0.2 . . . . 29 VAL N . 29 VAL H 15774 1 29 1DHNN . 1 1 54 54 PHE N N 15 . . 1 1 54 54 PHE H H 1 . 5.14 . . 0.2 . . . . 30 CYS N . 30 CYS H 15774 1 30 1DHNN . 1 1 55 55 ALA N N 15 . . 1 1 55 55 ALA H H 1 . 5.03 . . 0.2 . . . . 31 ALA N . 31 ALA H 15774 1 31 1DHNN . 1 1 56 56 GLY N N 15 . . 1 1 56 56 GLY H H 1 . 6.21 . . 0.2 . . . . 32 GLY N . 32 GLY H 15774 1 32 1DHNN . 1 1 57 57 LEU N N 15 . . 1 1 57 57 LEU H H 1 . 8.17 . . 0.2 . . . . 33 LEU N . 33 LEU H 15774 1 33 1DHNN . 1 1 59 59 GLY N N 15 . . 1 1 59 59 GLY H H 1 . 4.15 . . 0.2 . . . . 35 GLY N . 35 GLY H 15774 1 34 1DHNN . 1 1 60 60 VAL N N 15 . . 1 1 60 60 VAL H H 1 . 5.84 . . 0.2 . . . . 36 VAL N . 36 VAL H 15774 1 35 1DHNN . 1 1 61 61 ILE N N 15 . . 1 1 61 61 ILE H H 1 . 5.48 . . 0.2 . . . . 37 ILE N . 37 ILE H 15774 1 36 1DHNN . 1 1 62 62 HIS N N 15 . . 1 1 62 62 HIS H H 1 . -1.91 . . 0.2 . . . . 38 HIS N . 38 HIS H 15774 1 37 1DHNN . 1 1 63 63 THR N N 15 . . 1 1 63 63 THR H H 1 . -3.67 . . 0.2 . . . . 39 THR N . 39 THR H 15774 1 38 1DHNN . 1 1 65 65 ALA N N 15 . . 1 1 65 65 ALA H H 1 . -2.54 . . 0.2 . . . . 41 ALA N . 41 ALA H 15774 1 39 1DHNN . 1 1 66 66 ARG N N 15 . . 1 1 66 66 ARG H H 1 . -3.95 . . 0.2 . . . . 42 ARG N . 42 ARG H 15774 1 40 1DHNN . 1 1 67 67 ARG N N 15 . . 1 1 67 67 ARG H H 1 . -5.31 . . 0.2 . . . . 43 ARG N . 43 ARG H 15774 1 41 1DHNN . 1 1 68 68 GLY N N 15 . . 1 1 68 68 GLY H H 1 . -2.7 . . 0.2 . . . . 44 GLY N . 44 GLY H 15774 1 42 1DHNN . 1 1 69 69 PHE N N 15 . . 1 1 69 69 PHE H H 1 . -4.87 . . 0.2 . . . . 45 PHE N . 45 PHE H 15774 1 43 1DHNN . 1 1 70 70 PHE N N 15 . . 1 1 70 70 PHE H H 1 . -10.61 . . 0.2 . . . . 46 PHE N . 46 PHE H 15774 1 44 1DHNN . 1 1 71 71 ARG N N 15 . . 1 1 71 71 ARG H H 1 . -8.48 . . 0.2 . . . . 47 ARG N . 47 ARG H 15774 1 45 1DHNN . 1 1 72 72 SER N N 15 . . 1 1 72 72 SER H H 1 . -5.8 . . 0.2 . . . . 48 CYS N . 48 CYS H 15774 1 46 1DHNN . 1 1 73 73 ASN N N 15 . . 1 1 73 73 ASN H H 1 . -7.28 . . 0.2 . . . . 49 ASN N . 49 ASN H 15774 1 47 1DHNN . 1 1 75 75 GLU N N 15 . . 1 1 75 75 GLU H H 1 . -5.67 . . 0.2 . . . . 51 GLU N . 51 GLU H 15774 1 48 1DHNN . 1 1 77 77 ILE N N 15 . . 1 1 77 77 ILE H H 1 . -7.71 . . 0.2 . . . . 53 ILE N . 53 ILE H 15774 1 49 1DHNN . 1 1 78 78 GLN N N 15 . . 1 1 78 78 GLN H H 1 . -8.58 . . 0.2 . . . . 54 GLN N . 54 GLN H 15774 1 50 1DHNN . 1 1 79 79 ILE N N 15 . . 1 1 79 79 ILE H H 1 . -3.99 . . 0.2 . . . . 55 ILE N . 55 ILE H 15774 1 51 1DHNN . 1 1 80 80 GLY N N 15 . . 1 1 80 80 GLY H H 1 . 1.29 . . 0.2 . . . . 56 GLY N . 56 GLY H 15774 1 52 1DHNN . 1 1 81 81 ASP N N 15 . . 1 1 81 81 ASP H H 1 . -4.01 . . 0.2 . . . . 57 ASP N . 57 ASP H 15774 1 53 1DHNN . 1 1 82 82 TRP N N 15 . . 1 1 82 82 TRP H H 1 . -3.43 . . 0.2 . . . . 58 TRP N . 58 TRP H 15774 1 54 1DHNN . 1 1 83 83 ARG N N 15 . . 1 1 83 83 ARG H H 1 . 10.84 . . 0.2 . . . . 59 ARG N . 59 ARG H 15774 1 55 1DHNN . 1 1 85 85 GLU N N 15 . . 1 1 85 85 GLU H H 1 . 0.71 . . 0.2 . . . . 61 GLU N . 61 GLU H 15774 1 56 1DHNN . 1 1 86 86 VAL N N 15 . . 1 1 86 86 VAL H H 1 . 2.17 . . 0.2 . . . . 62 VAL N . 62 VAL H 15774 1 57 1DHNN . 1 1 88 88 HIS N N 15 . . 1 1 88 88 HIS H H 1 . 5.85 . . 0.2 . . . . 64 HIS N . 64 HIS H 15774 1 58 1DHNN . 1 1 89 89 ASP N N 15 . . 1 1 89 89 ASP H H 1 . 1.7 . . 0.2 . . . . 65 ASP N . 65 ASP H 15774 1 59 1DHNN . 1 1 90 90 GLY N N 15 . . 1 1 90 90 GLY H H 1 . 5.56 . . 0.2 . . . . 66 GLY N . 66 GLY H 15774 1 60 1DHNN . 1 1 92 92 LEU N N 15 . . 1 1 92 92 LEU H H 1 . 4.7 . . 0.2 . . . . 68 LEU N . 68 LEU H 15774 1 61 1DHNN . 1 1 93 93 LEU N N 15 . . 1 1 93 93 LEU H H 1 . 5.76 . . 0.2 . . . . 69 LEU N . 69 LEU H 15774 1 62 1DHNN . 1 1 94 94 ALA N N 15 . . 1 1 94 94 ALA H H 1 . -1.31 . . 0.2 . . . . 70 ALA N . 70 ALA H 15774 1 63 1DHNN . 1 1 95 95 ALA N N 15 . . 1 1 95 95 ALA H H 1 . 2.65 . . 0.2 . . . . 71 ALA N . 71 ALA H 15774 1 64 1DHNN . 1 1 96 96 HIS N N 15 . . 1 1 96 96 HIS H H 1 . -1.79 . . 0.2 . . . . 72 HIS N . 72 HIS H 15774 1 65 1DHNN . 1 1 98 98 VAL N N 15 . . 1 1 98 98 VAL H H 1 . 5.33 . . 0.2 . . . . 74 VAL N . 74 VAL H 15774 1 66 1DHNN . 1 1 99 99 ASN N N 15 . . 1 1 99 99 ASN H H 1 . -1.93 . . 0.2 . . . . 75 ASN N . 75 ASN H 15774 1 67 1DHNN . 1 1 100 100 GLY N N 15 . . 1 1 100 100 GLY H H 1 . 6.39 . . 0.2 . . . . 76 GLY N . 76 GLY H 15774 1 68 1DHNN . 1 1 101 101 ILE N N 15 . . 1 1 101 101 ILE H H 1 . 1.51 . . 0.2 . . . . 77 ILE N . 77 ILE H 15774 1 69 1DHNN . 1 1 102 102 VAL N N 15 . . 1 1 102 102 VAL H H 1 . 2.88 . . 0.2 . . . . 78 VAL N . 78 VAL H 15774 1 70 1DHNN . 1 1 103 103 ILE N N 15 . . 1 1 103 103 ILE H H 1 . 6.17 . . 0.2 . . . . 79 ILE N . 79 ILE H 15774 1 71 1DHNN . 1 1 104 104 ALA N N 15 . . 1 1 104 104 ALA H H 1 . 1.88 . . 0.2 . . . . 80 ALA N . 80 ALA H 15774 1 72 1DHNN . 1 1 105 105 GLU N N 15 . . 1 1 105 105 GLU H H 1 . 0.57 . . 0.2 . . . . 81 GLU N . 81 GLU H 15774 1 73 1DHNN . 1 1 106 106 ASP N N 15 . . 1 1 106 106 ASP H H 1 . 4.08 . . 0.2 . . . . 82 ASP N . 82 ASP H 15774 1 74 1DHNN . 1 1 107 107 ALA N N 15 . . 1 1 107 107 ALA H H 1 . 6.69 . . 0.2 . . . . 83 ALA N . 83 ALA H 15774 1 75 1DHNN . 1 1 108 108 LEU N N 15 . . 1 1 108 108 LEU H H 1 . 5.59 . . 0.2 . . . . 84 LEU N . 84 LEU H 15774 1 76 1DHNN . 1 1 109 109 ILE N N 15 . . 1 1 109 109 ILE H H 1 . -3.08 . . 0.2 . . . . 85 ILE N . 85 ILE H 15774 1 77 1DHNN . 1 1 110 110 ALA N N 15 . . 1 1 110 110 ALA H H 1 . 2.51 . . 0.2 . . . . 86 ALA N . 86 ALA H 15774 1 78 1DHNN . 1 1 111 111 GLU N N 15 . . 1 1 111 111 GLU H H 1 . 1.81 . . 0.2 . . . . 87 GLU N . 87 GLU H 15774 1 79 1DHNN . 1 1 113 113 VAL N N 15 . . 1 1 113 113 VAL H H 1 . -1.96 . . 0.2 . . . . 89 VAL N . 89 VAL H 15774 1 80 1DHNN . 1 1 114 114 GLY N N 15 . . 1 1 114 114 GLY H H 1 . 2.13 . . 0.2 . . . . 90 GLY N . 90 GLY H 15774 1 81 1DHNN . 1 1 117 117 LEU N N 15 . . 1 1 117 117 LEU H H 1 . -3.93 . . 0.2 . . . . 93 LEU N . 93 LEU H 15774 1 82 1DHNN . 1 1 118 118 ALA N N 15 . . 1 1 118 118 ALA H H 1 . 0.96 . . 0.2 . . . . 94 ALA N . 94 ALA H 15774 1 83 1DHNN . 1 1 119 119 ARG N N 15 . . 1 1 119 119 ARG H H 1 . 2.45 . . 0.2 . . . . 95 ARG N . 95 ARG H 15774 1 84 1DHNN . 1 1 120 120 ALA N N 15 . . 1 1 120 120 ALA H H 1 . -2.42 . . 0.2 . . . . 96 ALA N . 96 ALA H 15774 1 85 1DHNN . 1 1 121 121 LEU N N 15 . . 1 1 121 121 LEU H H 1 . -1.14 . . 0.2 . . . . 97 LEU N . 97 LEU H 15774 1 86 1DHNN . 1 1 122 122 GLY N N 15 . . 1 1 122 122 GLY H H 1 . 2.44 . . 0.2 . . . . 98 GLY N . 98 GLY H 15774 1 87 1DHNN . 1 1 124 124 ILE N N 15 . . 1 1 124 124 ILE H H 1 . -1.54 . . 0.2 . . . . 100 ILE N . 100 ILE H 15774 1 88 1DHNN . 1 1 125 125 VAL N N 15 . . 1 1 125 125 VAL H H 1 . 1.15 . . 0.2 . . . . 101 VAL N . 101 VAL H 15774 1 89 1DHNN . 1 1 126 126 SER N N 15 . . 1 1 126 126 SER H H 1 . 3.13 . . 0.2 . . . . 102 CYS N . 102 CYS H 15774 1 90 1DHNN . 1 1 127 127 ARG N N 15 . . 1 1 127 127 ARG H H 1 . 0.2 . . 0.2 . . . . 103 ARG N . 103 ARG H 15774 1 91 1DHNN . 1 1 128 128 TYR N N 15 . . 1 1 128 128 TYR H H 1 . -1.56 . . 0.2 . . . . 104 TYR N . 104 TYR H 15774 1 92 1DHNN . 1 1 129 129 GLY N N 15 . . 1 1 129 129 GLY H H 1 . 3.48 . . 0.2 . . . . 105 GLY N . 105 GLY H 15774 1 93 1DHNN . 1 1 130 130 ALA N N 15 . . 1 1 130 130 ALA H H 1 . 1.24 . . 0.2 . . . . 106 ALA N . 106 ALA H 15774 1 94 1DHNN . 1 1 131 131 THR N N 15 . . 1 1 131 131 THR H H 1 . 2.9 . . 0.2 . . . . 107 THR N . 107 THR H 15774 1 95 1DHNN . 1 1 132 132 VAL N N 15 . . 1 1 132 132 VAL H H 1 . 2.79 . . 0.2 . . . . 108 VAL N . 108 VAL H 15774 1 96 1DHNN . 1 1 133 133 ILE N N 15 . . 1 1 133 133 ILE H H 1 . -0.12 . . 0.2 . . . . 109 ILE N . 109 ILE H 15774 1 97 1DHNN . 1 1 135 135 ASN N N 15 . . 1 1 135 135 ASN H H 1 . 2.77 . . 0.2 . . . . 111 ASN N . 111 ASN H 15774 1 98 1DHNN . 1 1 136 136 ILE N N 15 . . 1 1 136 136 ILE H H 1 . 1.27 . . 0.2 . . . . 112 ILE N . 112 ILE H 15774 1 99 1DHNN . 1 1 137 137 ASN N N 15 . . 1 1 137 137 ASN H H 1 . -2.33 . . 0.2 . . . . 113 ASN N . 113 ASN H 15774 1 100 1DHNN . 1 1 138 138 ALA N N 15 . . 1 1 138 138 ALA H H 1 . 0.12 . . 0.2 . . . . 114 ALA N . 114 ALA H 15774 1 101 1DHNN . 1 1 139 139 ALA N N 15 . . 1 1 139 139 ALA H H 1 . 2.01 . . 0.2 . . . . 115 ALA N . 115 ALA H 15774 1 102 1DHNN . 1 1 140 140 ILE N N 15 . . 1 1 140 140 ILE H H 1 . -1.32 . . 0.2 . . . . 116 ILE N . 116 ILE H 15774 1 103 1DHNN . 1 1 141 141 GLU N N 15 . . 1 1 141 141 GLU H H 1 . -2.95 . . 0.2 . . . . 117 GLU N . 117 GLU H 15774 1 104 1DHNN . 1 1 142 142 VAL N N 15 . . 1 1 142 142 VAL H H 1 . 1.49 . . 0.2 . . . . 118 VAL N . 118 VAL H 15774 1 105 1DHNN . 1 1 143 143 LEU N N 15 . . 1 1 143 143 LEU H H 1 . 0.59 . . 0.2 . . . . 119 LEU N . 119 LEU H 15774 1 106 1DHNN . 1 1 144 144 GLY N N 15 . . 1 1 144 144 GLY H H 1 . -3.27 . . 0.2 . . . . 120 GLY N . 120 GLY H 15774 1 107 1DHNN . 1 1 145 145 THR N N 15 . . 1 1 145 145 THR H H 1 . -0.27 . . 0.2 . . . . 121 THR N . 121 THR H 15774 1 108 1DHNN . 1 1 146 146 GLY N N 15 . . 1 1 146 146 GLY H H 1 . 0.16 . . 0.2 . . . . 122 GLY N . 122 GLY H 15774 1 109 1DHNN . 1 1 147 147 THR N N 15 . . 1 1 147 147 THR H H 1 . -1 . . 0.2 . . . . 123 THR N . 123 THR H 15774 1 110 1DHNN . 1 1 148 148 ASP N N 15 . . 1 1 148 148 ASP H H 1 . 0.58 . . 0.2 . . . . 124 ASP N . 124 ASP H 15774 1 111 1DHNN . 1 1 149 149 TYR N N 15 . . 1 1 149 149 TYR H H 1 . -0.38 . . 0.2 . . . . 125 TYR N . 125 TYR H 15774 1 112 1DHNN . 1 1 150 150 ARG N N 15 . . 1 1 150 150 ARG H H 1 . -0.11 . . 0.2 . . . . 126 ARG N . 126 ARG H 15774 1 113 1DHNN . 1 1 151 151 PHE N N 15 . . 1 1 151 151 PHE H H 1 . -0.19 . . 0.2 . . . . 127 PHE N . 127 PHE H 15774 1 stop_ save_ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 15774 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 14 '2D 1H-15N HSQC-IPAP' . . . 15774 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $NMRPipe . . 15774 2 2 $SPARKY . . 15774 2 5 $xwinnmr . . 15774 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHNN . 1 1 25 25 MET N N 15 . . 1 1 25 25 MET H H 1 . 0.36 . . 0.2 . . . . 1 MET N . 1 MET H 15774 2 2 1DHNN . 1 1 26 26 SER N N 15 . . 1 1 26 26 SER H H 1 . 0.74 . . 0.2 . . . . 2 SER N . 2 SER H 15774 2 3 1DHNN . 1 1 27 27 ASP N N 15 . . 1 1 27 27 ASP H H 1 . 0.57 . . 0.2 . . . . 3 ASP N . 3 ASP H 15774 2 4 1DHNN . 1 1 28 28 PHE N N 15 . . 1 1 28 28 PHE H H 1 . 0.39 . . 0.2 . . . . 4 PHE N . 4 PHE H 15774 2 5 1DHNN . 1 1 29 29 ASP N N 15 . . 1 1 29 29 ASP H H 1 . 0.1 . . 0.2 . . . . 5 ASP N . 5 ASP H 15774 2 6 1DHNN . 1 1 30 30 THR N N 15 . . 1 1 30 30 THR H H 1 . 0.82 . . 0.2 . . . . 6 THR N . 6 THR H 15774 2 7 1DHNN . 1 1 31 31 GLU N N 15 . . 1 1 31 31 GLU H H 1 . -0.22 . . 0.2 . . . . 7 GLU N . 7 GLU H 15774 2 8 1DHNN . 1 1 33 33 VAL N N 15 . . 1 1 33 33 VAL H H 1 . 0.74 . . 0.2 . . . . 9 VAL N . 9 VAL H 15774 2 9 1DHNN . 1 1 34 34 SER N N 15 . . 1 1 34 34 SER H H 1 . -0.38 . . 0.2 . . . . 10 SER N . 10 SER H 15774 2 10 1DHNN . 1 1 36 36 ALA N N 15 . . 1 1 36 36 ALA H H 1 . 3.25 . . 0.2 . . . . 12 ALA N . 12 ALA H 15774 2 11 1DHNN . 1 1 38 38 ALA N N 15 . . 1 1 38 38 ALA H H 1 . -0.67 . . 0.2 . . . . 14 ALA N . 14 ALA H 15774 2 12 1DHNN . 1 1 39 39 ALA N N 15 . . 1 1 39 39 ALA H H 1 . 1.5 . . 0.2 . . . . 15 ALA N . 15 ALA H 15774 2 13 1DHNN . 1 1 40 40 ALA N N 15 . . 1 1 40 40 ALA H H 1 . 2.64 . . 0.2 . . . . 16 ALA N . 16 ALA H 15774 2 14 1DHNN . 1 1 41 41 LEU N N 15 . . 1 1 41 41 LEU H H 1 . -0.66 . . 0.2 . . . . 17 LEU N . 17 LEU H 15774 2 15 1DHNN . 1 1 42 42 VAL N N 15 . . 1 1 42 42 VAL H H 1 . -0.71 . . 0.2 . . . . 18 VAL N . 18 VAL H 15774 2 16 1DHNN . 1 1 43 43 GLY N N 15 . . 1 1 43 43 GLY H H 1 . 1.64 . . 0.2 . . . . 19 GLY N . 19 GLY H 15774 2 17 1DHNN . 1 1 45 45 GLY N N 15 . . 1 1 45 45 GLY H H 1 . -2.27 . . 0.2 . . . . 21 GLY N . 21 GLY H 15774 2 18 1DHNN . 1 1 46 46 GLY N N 15 . . 1 1 46 46 GLY H H 1 . -1.33 . . 0.2 . . . . 22 GLY N . 22 GLY H 15774 2 19 1DHNN . 1 1 49 49 LEU N N 15 . . 1 1 49 49 LEU H H 1 . -3.32 . . 0.2 . . . . 25 LEU N . 25 LEU H 15774 2 20 1DHNN . 1 1 50 50 VAL N N 15 . . 1 1 50 50 VAL H H 1 . -0.94 . . 0.2 . . . . 26 VAL N . 26 VAL H 15774 2 21 1DHNN . 1 1 51 51 VAL N N 15 . . 1 1 51 51 VAL H H 1 . -0.45 . . 0.2 . . . . 27 VAL N . 27 VAL H 15774 2 22 1DHNN . 1 1 52 52 LYS N N 15 . . 1 1 52 52 LYS H H 1 . -4.44 . . 0.2 . . . . 28 LYS N . 28 LYS H 15774 2 23 1DHNN . 1 1 53 53 VAL N N 15 . . 1 1 53 53 VAL H H 1 . -3.18 . . 0.2 . . . . 29 VAL N . 29 VAL H 15774 2 24 1DHNN . 1 1 54 54 PHE N N 15 . . 1 1 54 54 PHE H H 1 . -1.53 . . 0.2 . . . . 30 CYS N . 30 CYS H 15774 2 25 1DHNN . 1 1 55 55 ALA N N 15 . . 1 1 55 55 ALA H H 1 . -1.18 . . 0.2 . . . . 31 ALA N . 31 ALA H 15774 2 26 1DHNN . 1 1 56 56 GLY N N 15 . . 1 1 56 56 GLY H H 1 . -4.74 . . 0.2 . . . . 32 GLY N . 32 GLY H 15774 2 27 1DHNN . 1 1 57 57 LEU N N 15 . . 1 1 57 57 LEU H H 1 . -0.57 . . 0.2 . . . . 33 LEU N . 33 LEU H 15774 2 28 1DHNN . 1 1 59 59 GLY N N 15 . . 1 1 59 59 GLY H H 1 . -0.55 . . 0.2 . . . . 35 GLY N . 35 GLY H 15774 2 29 1DHNN . 1 1 60 60 VAL N N 15 . . 1 1 60 60 VAL H H 1 . 0.37 . . 0.2 . . . . 36 VAL N . 36 VAL H 15774 2 30 1DHNN . 1 1 61 61 ILE N N 15 . . 1 1 61 61 ILE H H 1 . 2.17 . . 0.2 . . . . 37 ILE N . 37 ILE H 15774 2 31 1DHNN . 1 1 62 62 HIS N N 15 . . 1 1 62 62 HIS H H 1 . 3.52 . . 0.2 . . . . 38 HIS N . 38 HIS H 15774 2 32 1DHNN . 1 1 63 63 THR N N 15 . . 1 1 63 63 THR H H 1 . 0.12 . . 0.2 . . . . 39 THR N . 39 THR H 15774 2 33 1DHNN . 1 1 65 65 ALA N N 15 . . 1 1 65 65 ALA H H 1 . 2.9 . . 0.2 . . . . 41 ALA N . 41 ALA H 15774 2 34 1DHNN . 1 1 66 66 ARG N N 15 . . 1 1 66 66 ARG H H 1 . 1.08 . . 0.2 . . . . 42 ARG N . 42 ARG H 15774 2 35 1DHNN . 1 1 67 67 ARG N N 15 . . 1 1 67 67 ARG H H 1 . 0.38 . . 0.2 . . . . 43 ARG N . 43 ARG H 15774 2 36 1DHNN . 1 1 68 68 GLY N N 15 . . 1 1 68 68 GLY H H 1 . 1.36 . . 0.2 . . . . 44 GLY N . 44 GLY H 15774 2 37 1DHNN . 1 1 69 69 PHE N N 15 . . 1 1 69 69 PHE H H 1 . 2.64 . . 0.2 . . . . 45 PHE N . 45 PHE H 15774 2 38 1DHNN . 1 1 70 70 PHE N N 15 . . 1 1 70 70 PHE H H 1 . 1.68 . . 0.2 . . . . 46 PHE N . 46 PHE H 15774 2 39 1DHNN . 1 1 71 71 ARG N N 15 . . 1 1 71 71 ARG H H 1 . 1.54 . . 0.2 . . . . 47 ARG N . 47 ARG H 15774 2 40 1DHNN . 1 1 72 72 SER N N 15 . . 1 1 72 72 SER H H 1 . 0.34 . . 0.2 . . . . 48 CYS N . 48 CYS H 15774 2 41 1DHNN . 1 1 73 73 ASN N N 15 . . 1 1 73 73 ASN H H 1 . -0.29 . . 0.2 . . . . 49 ASN N . 49 ASN H 15774 2 42 1DHNN . 1 1 75 75 GLU N N 15 . . 1 1 75 75 GLU H H 1 . -0.05 . . 0.2 . . . . 51 GLU N . 51 GLU H 15774 2 43 1DHNN . 1 1 77 77 ILE N N 15 . . 1 1 77 77 ILE H H 1 . 0.93 . . 0.2 . . . . 53 ILE N . 53 ILE H 15774 2 44 1DHNN . 1 1 78 78 GLN N N 15 . . 1 1 78 78 GLN H H 1 . 1.58 . . 0.2 . . . . 54 GLN N . 54 GLN H 15774 2 45 1DHNN . 1 1 79 79 ILE N N 15 . . 1 1 79 79 ILE H H 1 . 2.22 . . 0.2 . . . . 55 ILE N . 55 ILE H 15774 2 46 1DHNN . 1 1 80 80 GLY N N 15 . . 1 1 80 80 GLY H H 1 . 1.14 . . 0.2 . . . . 56 GLY N . 56 GLY H 15774 2 47 1DHNN . 1 1 81 81 ASP N N 15 . . 1 1 81 81 ASP H H 1 . 0.86 . . 0.2 . . . . 57 ASP N . 57 ASP H 15774 2 48 1DHNN . 1 1 82 82 TRP N N 15 . . 1 1 82 82 TRP H H 1 . 3.95 . . 0.2 . . . . 58 TRP N . 58 TRP H 15774 2 49 1DHNN . 1 1 83 83 ARG N N 15 . . 1 1 83 83 ARG H H 1 . 2.48 . . 0.2 . . . . 59 ARG N . 59 ARG H 15774 2 50 1DHNN . 1 1 84 84 TYR N N 15 . . 1 1 84 84 TYR H H 1 . -0.52 . . 0.2 . . . . 60 TYR N . 60 TYR H 15774 2 51 1DHNN . 1 1 85 85 GLU N N 15 . . 1 1 85 85 GLU H H 1 . 4.57 . . 0.2 . . . . 61 GLU N . 61 GLU H 15774 2 52 1DHNN . 1 1 86 86 VAL N N 15 . . 1 1 86 86 VAL H H 1 . 5.64 . . 0.2 . . . . 62 VAL N . 62 VAL H 15774 2 53 1DHNN . 1 1 87 87 ALA N N 15 . . 1 1 87 87 ALA H H 1 . 4.61 . . 0.2 . . . . 63 ALA N . 63 ALA H 15774 2 54 1DHNN . 1 1 88 88 HIS N N 15 . . 1 1 88 88 HIS H H 1 . 4.19 . . 0.2 . . . . 64 HIS N . 64 HIS H 15774 2 55 1DHNN . 1 1 89 89 ASP N N 15 . . 1 1 89 89 ASP H H 1 . 5.7 . . 0.2 . . . . 65 ASP N . 65 ASP H 15774 2 56 1DHNN . 1 1 90 90 GLY N N 15 . . 1 1 90 90 GLY H H 1 . 2.31 . . 0.2 . . . . 66 GLY N . 66 GLY H 15774 2 57 1DHNN . 1 1 92 92 LEU N N 15 . . 1 1 92 92 LEU H H 1 . 5.37 . . 0.2 . . . . 68 LEU N . 68 LEU H 15774 2 58 1DHNN . 1 1 93 93 LEU N N 15 . . 1 1 93 93 LEU H H 1 . 6.85 . . 0.2 . . . . 69 LEU N . 69 LEU H 15774 2 59 1DHNN . 1 1 94 94 ALA N N 15 . . 1 1 94 94 ALA H H 1 . -5.94 . . 0.2 . . . . 70 ALA N . 70 ALA H 15774 2 60 1DHNN . 1 1 95 95 ALA N N 15 . . 1 1 95 95 ALA H H 1 . -0.24 . . 0.2 . . . . 71 ALA N . 71 ALA H 15774 2 61 1DHNN . 1 1 99 99 ASN N N 15 . . 1 1 99 99 ASN H H 1 . -5.31 . . 0.2 . . . . 75 ASN N . 75 ASN H 15774 2 62 1DHNN . 1 1 100 100 GLY N N 15 . . 1 1 100 100 GLY H H 1 . 0.68 . . 0.2 . . . . 76 GLY N . 76 GLY H 15774 2 63 1DHNN . 1 1 102 102 VAL N N 15 . . 1 1 102 102 VAL H H 1 . -2.4 . . 0.2 . . . . 78 VAL N . 78 VAL H 15774 2 64 1DHNN . 1 1 104 104 ALA N N 15 . . 1 1 104 104 ALA H H 1 . -1.73 . . 0.2 . . . . 80 ALA N . 80 ALA H 15774 2 65 1DHNN . 1 1 105 105 GLU N N 15 . . 1 1 105 105 GLU H H 1 . 3.98 . . 0.2 . . . . 81 GLU N . 81 GLU H 15774 2 66 1DHNN . 1 1 106 106 ASP N N 15 . . 1 1 106 106 ASP H H 1 . 1.48 . . 0.2 . . . . 82 ASP N . 82 ASP H 15774 2 67 1DHNN . 1 1 107 107 ALA N N 15 . . 1 1 107 107 ALA H H 1 . 0.02 . . 0.2 . . . . 83 ALA N . 83 ALA H 15774 2 68 1DHNN . 1 1 108 108 LEU N N 15 . . 1 1 108 108 LEU H H 1 . 2.66 . . 0.2 . . . . 84 LEU N . 84 LEU H 15774 2 69 1DHNN . 1 1 110 110 ALA N N 15 . . 1 1 110 110 ALA H H 1 . 1.09 . . 0.2 . . . . 86 ALA N . 86 ALA H 15774 2 70 1DHNN . 1 1 111 111 GLU N N 15 . . 1 1 111 111 GLU H H 1 . -0.55 . . 0.2 . . . . 87 GLU N . 87 GLU H 15774 2 71 1DHNN . 1 1 112 112 ALA N N 15 . . 1 1 112 112 ALA H H 1 . -2.04 . . 0.2 . . . . 88 ALA N . 88 ALA H 15774 2 72 1DHNN . 1 1 113 113 VAL N N 15 . . 1 1 113 113 VAL H H 1 . -4.6 . . 0.2 . . . . 89 VAL N . 89 VAL H 15774 2 73 1DHNN . 1 1 114 114 GLY N N 15 . . 1 1 114 114 GLY H H 1 . 5.08 . . 0.2 . . . . 90 GLY N . 90 GLY H 15774 2 74 1DHNN . 1 1 117 117 LEU N N 15 . . 1 1 117 117 LEU H H 1 . 2.96 . . 0.2 . . . . 93 LEU N . 93 LEU H 15774 2 75 1DHNN . 1 1 118 118 ALA N N 15 . . 1 1 118 118 ALA H H 1 . 5.83 . . 0.2 . . . . 94 ALA N . 94 ALA H 15774 2 76 1DHNN . 1 1 119 119 ARG N N 15 . . 1 1 119 119 ARG H H 1 . 6.2 . . 0.2 . . . . 95 ARG N . 95 ARG H 15774 2 77 1DHNN . 1 1 120 120 ALA N N 15 . . 1 1 120 120 ALA H H 1 . 4.52 . . 0.2 . . . . 96 ALA N . 96 ALA H 15774 2 78 1DHNN . 1 1 121 121 LEU N N 15 . . 1 1 121 121 LEU H H 1 . 6.95 . . 0.2 . . . . 97 LEU N . 97 LEU H 15774 2 79 1DHNN . 1 1 122 122 GLY N N 15 . . 1 1 122 122 GLY H H 1 . 5.39 . . 0.2 . . . . 98 GLY N . 98 GLY H 15774 2 80 1DHNN . 1 1 125 125 VAL N N 15 . . 1 1 125 125 VAL H H 1 . 4.01 . . 0.2 . . . . 101 VAL N . 101 VAL H 15774 2 81 1DHNN . 1 1 126 126 SER N N 15 . . 1 1 126 126 SER H H 1 . 5.76 . . 0.2 . . . . 102 CYS N . 102 CYS H 15774 2 82 1DHNN . 1 1 127 127 ARG N N 15 . . 1 1 127 127 ARG H H 1 . 6.15 . . 0.2 . . . . 103 ARG N . 103 ARG H 15774 2 83 1DHNN . 1 1 128 128 TYR N N 15 . . 1 1 128 128 TYR H H 1 . 5.94 . . 0.2 . . . . 104 TYR N . 104 TYR H 15774 2 84 1DHNN . 1 1 129 129 GLY N N 15 . . 1 1 129 129 GLY H H 1 . -0.54 . . 0.2 . . . . 105 GLY N . 105 GLY H 15774 2 85 1DHNN . 1 1 130 130 ALA N N 15 . . 1 1 130 130 ALA H H 1 . -1.65 . . 0.2 . . . . 106 ALA N . 106 ALA H 15774 2 86 1DHNN . 1 1 131 131 THR N N 15 . . 1 1 131 131 THR H H 1 . 2.65 . . 0.2 . . . . 107 THR N . 107 THR H 15774 2 87 1DHNN . 1 1 132 132 VAL N N 15 . . 1 1 132 132 VAL H H 1 . -0.8 . . 0.2 . . . . 108 VAL N . 108 VAL H 15774 2 88 1DHNN . 1 1 133 133 ILE N N 15 . . 1 1 133 133 ILE H H 1 . -4.81 . . 0.2 . . . . 109 ILE N . 109 ILE H 15774 2 89 1DHNN . 1 1 135 135 ASN N N 15 . . 1 1 135 135 ASN H H 1 . -0.94 . . 0.2 . . . . 111 ASN N . 111 ASN H 15774 2 90 1DHNN . 1 1 136 136 ILE N N 15 . . 1 1 136 136 ILE H H 1 . -6.31 . . 0.2 . . . . 112 ILE N . 112 ILE H 15774 2 91 1DHNN . 1 1 137 137 ASN N N 15 . . 1 1 137 137 ASN H H 1 . -5.33 . . 0.2 . . . . 113 ASN N . 113 ASN H 15774 2 92 1DHNN . 1 1 138 138 ALA N N 15 . . 1 1 138 138 ALA H H 1 . -2.96 . . 0.2 . . . . 114 ALA N . 114 ALA H 15774 2 93 1DHNN . 1 1 139 139 ALA N N 15 . . 1 1 139 139 ALA H H 1 . -1.92 . . 0.2 . . . . 115 ALA N . 115 ALA H 15774 2 94 1DHNN . 1 1 140 140 ILE N N 15 . . 1 1 140 140 ILE H H 1 . -4.13 . . 0.2 . . . . 116 ILE N . 116 ILE H 15774 2 95 1DHNN . 1 1 141 141 GLU N N 15 . . 1 1 141 141 GLU H H 1 . -3.27 . . 0.2 . . . . 117 GLU N . 117 GLU H 15774 2 96 1DHNN . 1 1 142 142 VAL N N 15 . . 1 1 142 142 VAL H H 1 . -1.64 . . 0.2 . . . . 118 VAL N . 118 VAL H 15774 2 97 1DHNN . 1 1 144 144 GLY N N 15 . . 1 1 144 144 GLY H H 1 . -3 . . 0.2 . . . . 120 GLY N . 120 GLY H 15774 2 98 1DHNN . 1 1 145 145 THR N N 15 . . 1 1 145 145 THR H H 1 . -0.84 . . 0.2 . . . . 121 THR N . 121 THR H 15774 2 99 1DHNN . 1 1 146 146 GLY N N 15 . . 1 1 146 146 GLY H H 1 . -0.37 . . 0.2 . . . . 122 GLY N . 122 GLY H 15774 2 100 1DHNN . 1 1 147 147 THR N N 15 . . 1 1 147 147 THR H H 1 . -0.6 . . 0.2 . . . . 123 THR N . 123 THR H 15774 2 101 1DHNN . 1 1 148 148 ASP N N 15 . . 1 1 148 148 ASP H H 1 . -0.53 . . 0.2 . . . . 124 ASP N . 124 ASP H 15774 2 102 1DHNN . 1 1 149 149 TYR N N 15 . . 1 1 149 149 TYR H H 1 . -0.65 . . 0.2 . . . . 125 TYR N . 125 TYR H 15774 2 103 1DHNN . 1 1 150 150 ARG N N 15 . . 1 1 150 150 ARG H H 1 . 0.11 . . 0.2 . . . . 126 ARG N . 126 ARG H 15774 2 104 1DHNN . 1 1 151 151 PHE N N 15 . . 1 1 151 151 PHE H H 1 . 0.24 . . 0.2 . . . . 127 PHE N . 127 PHE H 15774 2 stop_ save_