data_17226 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17226 _Entry.Title ; 1H, 15N, and 13C chemical shift assignments, and 15N dynamics for trHbN-cyanomet from M. tuberculosis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-30 _Entry.Accession_date 2010-09-30 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pierre-Yves Savard . . . 17226 2 Sebastien Morin . . . 17226 3 Anne Sebilo . . . 17226 4 Fanny Meindre . . . 17226 5 Michel Guertin . . . 17226 6 Stephane Gagne . . . 17226 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Laval University' . 17226 2 . 'PROTEO, The Quebec Network for protein research on function, structure, and engineering' . 17226 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17226 heteronucl_NOEs 3 17226 heteronucl_T1_relaxation 3 17226 heteronucl_T2_relaxation 2 17226 order_parameters 1 17226 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 446 17226 '15N chemical shifts' 123 17226 '1H chemical shifts' 555 17226 'heteronuclear NOE values' 303 17226 'order parameters' 101 17226 'T1 relaxation values' 303 17226 'T2 relaxation values' 201 17226 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-13 2010-09-30 update BMRB 'update entry citation' 17226 1 . . 2011-10-28 2010-09-30 original author 'original release' 17226 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17226 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21999759 _Citation.Full_citation . _Citation.Title 'Structure and dynamics of Mycobacterium tuberculosis truncated hemoglobin N: insights from NMR spectroscopy and molecular dynamics simulations.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 51 _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 11121 _Citation.Page_last 11130 _Citation.Year 2011 _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 Pierre-Yves Savard . . . 17226 1 2 Richard Daigle . . . 17226 1 3 Sebastien Morin . . . 17226 1 4 Anne Sebilo . . . 17226 1 5 Fanny Meindre . . . 17226 1 6 Patrick Lague . . . 17226 1 7 Michel Guertin . . . 17226 1 8 Stephane Gagne . M. . 17226 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Mycobacterium tuberculosis' 17226 1 trHbN 17226 1 'truncated hemoglobin' 17226 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17226 _Assembly.ID 1 _Assembly.Name 'trHbN cyanomet' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14317.3 _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 trHbN 1 $trHbN A . yes native no no . . . 17226 1 2 'iron ion' 2 $FE B . no native no no . . . 17226 1 3 'cyanide ion' 3 $CYN B . no native no no . . . 17226 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_trHbN _Entity.Sf_category entity _Entity.Sf_framecode trHbN _Entity.Entry_ID 17226 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name trHbN _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGLLSRLRKREPISIYDKIG GHEAIEVVVEDFYVRVLADD QLSAFFSGTNMSRLKGKQVE FFAAALGGPEPYTGAPMKQV HQGRGITMHHFSLVAGHLAD ALTAAGVPSETITEILGVIA PLAVDVTSGESTTAPV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14317.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The starting Met is cleaved in the mature form of the protein' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1IDR . "Crystal Structure Of The Truncated-Hemoglobin-N From Mycobacterium Tuberculosis" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 2 no PDB 1RTE . "X-Ray Structure Of Cyanide Derivative Of Truncated Hemoglobin N (Trhbn) From Mycobacterium Tuberculosis" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 3 no PDB 1S56 . 'Crystal Structure Of "truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked With Xe Atoms' . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 4 no PDB 1S61 . 'Crystal Structure Of "truncated" Hemoglobin N (Hbn) From Mycobacterium Tuberculosis, Soaked With Butyl-Isocyanide' . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 5 no PDB 2GKM . "Crystal Structure Of Mycobacterium Tuberculosis Trhbn Tyrb10phe Mutant" . . . . . 100.00 136 99.26 100.00 3.69e-91 . . . . 17226 1 6 no PDB 2GKN . "Crystal Structure Of Mycobacterium Tuberculosis Trhbn, Glne11val Mutant" . . . . . 100.00 136 99.26 99.26 1.33e-90 . . . . 17226 1 7 no PDB 2GL3 . "Crystal Structure Of Mycobacterium Tuberculosis Trhbn, Tyrb10phe Glne11val Mutant" . . . . . 100.00 136 98.53 99.26 5.54e-90 . . . . 17226 1 8 no PDB 2GLN . "Crystal Structure Of Mycobacterium Tuberculosis Trhbn, Glne11ala Mutant" . . . . . 100.00 136 99.26 99.26 8.56e-91 . . . . 17226 1 9 no PDB 5AB8 . "High Resolution X-ray Structure Of The N-terminal Truncated Form (residues 1-11) Of Mycobacterium Tuberculosis Hbn" . . . . . 91.91 125 100.00 100.00 3.77e-83 . . . . 17226 1 10 no DBJ BAH25857 . "putative hemoglobin [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 11 no DBJ BAL65514 . "hemoglobin [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 12 no DBJ BAQ05541 . "hemoglobin [Mycobacterium tuberculosis str. Kurono]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 13 no DBJ GAA45289 . "hemoglobin [Mycobacterium tuberculosis NCGM2209]" . . . . . 95.59 130 99.23 100.00 4.57e-87 . . . . 17226 1 14 no EMBL CAB56291 . "flavohaemoglobin [Mycobacterium smegmatis]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 15 no EMBL CAL71581 . "Probable hemoglobin glbN [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 16 no EMBL CCC26641 . "putative hemoglobin glbN [Mycobacterium africanum GM041182]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 17 no EMBL CCC43897 . "putative hemoglobin glbN [Mycobacterium canettii CIPT 140010059]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 18 no EMBL CCC64155 . "probable hemoglobin glbN [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 19 no GB AAD28758 . "hemoglobin HbN [Mycobacterium bovis]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 20 no GB AAK45860 . "protozoan/cyanobacterial globin family protein [Mycobacterium tuberculosis CDC1551]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 21 no GB ABQ73299 . "protozoan/cyanobacterial globin family protein [Mycobacterium tuberculosis H37Ra]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 22 no GB ABR05918 . "hemoglobin glbN [Mycobacterium tuberculosis F11]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 23 no GB ACT25509 . "hemoglobin glbN [Mycobacterium tuberculosis KZN 1435]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 24 no REF NP_216058 . "hemoglobin GlbN [Mycobacterium tuberculosis H37Rv]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 25 no REF NP_855221 . "hemoglobin glbN [Mycobacterium bovis AF2122/97]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 26 no REF WP_003407730 . "MULTISPECIES: group 1 truncated hemoglobin GlbN [Mycobacterium]" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 27 no REF WP_003911564 . "hemin receptor [Mycobacterium tuberculosis]" . . . . . 95.59 130 99.23 100.00 4.57e-87 . . . . 17226 1 28 no REF WP_015289952 . "group 1 truncated hemoglobin GlbN [Mycobacterium canettii]" . . . . . 100.00 136 98.53 98.53 2.52e-90 . . . . 17226 1 29 no SP P0A593 . "RecName: Full=Group 1 truncated hemoglobin GlbN; Short=Truncated hemoglobin; Short=trHbN; AltName: Full=Hemoglobin-like protein" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 30 no SP P0A594 . "RecName: Full=Group 1 truncated hemoglobin GlbN; AltName: Full=Hemoglobin-like protein HbN; AltName: Full=Truncated hemoglobin;" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 31 no SP P9WN24 . "RecName: Full=Group 1 truncated hemoglobin GlbN; Short=Truncated hemoglobin; Short=trHbN; AltName: Full=Hemoglobin-like protein" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 32 no SP P9WN25 . "RecName: Full=Group 1 truncated hemoglobin GlbN; Short=Truncated hemoglobin; Short=trHbN; AltName: Full=Hemoglobin-like protein" . . . . . 100.00 136 100.00 100.00 8.83e-92 . . . . 17226 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17226 1 2 . GLY . 17226 1 3 . LEU . 17226 1 4 . LEU . 17226 1 5 . SER . 17226 1 6 . ARG . 17226 1 7 . LEU . 17226 1 8 . ARG . 17226 1 9 . LYS . 17226 1 10 . ARG . 17226 1 11 . GLU . 17226 1 12 . PRO . 17226 1 13 . ILE . 17226 1 14 . SER . 17226 1 15 . ILE . 17226 1 16 . TYR . 17226 1 17 . ASP . 17226 1 18 . LYS . 17226 1 19 . ILE . 17226 1 20 . GLY . 17226 1 21 . GLY . 17226 1 22 . HIS . 17226 1 23 . GLU . 17226 1 24 . ALA . 17226 1 25 . ILE . 17226 1 26 . GLU . 17226 1 27 . VAL . 17226 1 28 . VAL . 17226 1 29 . VAL . 17226 1 30 . GLU . 17226 1 31 . ASP . 17226 1 32 . PHE . 17226 1 33 . TYR . 17226 1 34 . VAL . 17226 1 35 . ARG . 17226 1 36 . VAL . 17226 1 37 . LEU . 17226 1 38 . ALA . 17226 1 39 . ASP . 17226 1 40 . ASP . 17226 1 41 . GLN . 17226 1 42 . LEU . 17226 1 43 . SER . 17226 1 44 . ALA . 17226 1 45 . PHE . 17226 1 46 . PHE . 17226 1 47 . SER . 17226 1 48 . GLY . 17226 1 49 . THR . 17226 1 50 . ASN . 17226 1 51 . MET . 17226 1 52 . SER . 17226 1 53 . ARG . 17226 1 54 . LEU . 17226 1 55 . LYS . 17226 1 56 . GLY . 17226 1 57 . LYS . 17226 1 58 . GLN . 17226 1 59 . VAL . 17226 1 60 . GLU . 17226 1 61 . PHE . 17226 1 62 . PHE . 17226 1 63 . ALA . 17226 1 64 . ALA . 17226 1 65 . ALA . 17226 1 66 . LEU . 17226 1 67 . GLY . 17226 1 68 . GLY . 17226 1 69 . PRO . 17226 1 70 . GLU . 17226 1 71 . PRO . 17226 1 72 . TYR . 17226 1 73 . THR . 17226 1 74 . GLY . 17226 1 75 . ALA . 17226 1 76 . PRO . 17226 1 77 . MET . 17226 1 78 . LYS . 17226 1 79 . GLN . 17226 1 80 . VAL . 17226 1 81 . HIS . 17226 1 82 . GLN . 17226 1 83 . GLY . 17226 1 84 . ARG . 17226 1 85 . GLY . 17226 1 86 . ILE . 17226 1 87 . THR . 17226 1 88 . MET . 17226 1 89 . HIS . 17226 1 90 . HIS . 17226 1 91 . PHE . 17226 1 92 . SER . 17226 1 93 . LEU . 17226 1 94 . VAL . 17226 1 95 . ALA . 17226 1 96 . GLY . 17226 1 97 . HIS . 17226 1 98 . LEU . 17226 1 99 . ALA . 17226 1 100 . ASP . 17226 1 101 . ALA . 17226 1 102 . LEU . 17226 1 103 . THR . 17226 1 104 . ALA . 17226 1 105 . ALA . 17226 1 106 . GLY . 17226 1 107 . VAL . 17226 1 108 . PRO . 17226 1 109 . SER . 17226 1 110 . GLU . 17226 1 111 . THR . 17226 1 112 . ILE . 17226 1 113 . THR . 17226 1 114 . GLU . 17226 1 115 . ILE . 17226 1 116 . LEU . 17226 1 117 . GLY . 17226 1 118 . VAL . 17226 1 119 . ILE . 17226 1 120 . ALA . 17226 1 121 . PRO . 17226 1 122 . LEU . 17226 1 123 . ALA . 17226 1 124 . VAL . 17226 1 125 . ASP . 17226 1 126 . VAL . 17226 1 127 . THR . 17226 1 128 . SER . 17226 1 129 . GLY . 17226 1 130 . GLU . 17226 1 131 . SER . 17226 1 132 . THR . 17226 1 133 . THR . 17226 1 134 . ALA . 17226 1 135 . PRO . 17226 1 136 . VAL . 17226 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 17226 1 . GLY 2 2 17226 1 . LEU 3 3 17226 1 . LEU 4 4 17226 1 . SER 5 5 17226 1 . ARG 6 6 17226 1 . LEU 7 7 17226 1 . ARG 8 8 17226 1 . LYS 9 9 17226 1 . ARG 10 10 17226 1 . GLU 11 11 17226 1 . PRO 12 12 17226 1 . ILE 13 13 17226 1 . SER 14 14 17226 1 . ILE 15 15 17226 1 . TYR 16 16 17226 1 . ASP 17 17 17226 1 . LYS 18 18 17226 1 . ILE 19 19 17226 1 . GLY 20 20 17226 1 . GLY 21 21 17226 1 . HIS 22 22 17226 1 . GLU 23 23 17226 1 . ALA 24 24 17226 1 . ILE 25 25 17226 1 . GLU 26 26 17226 1 . VAL 27 27 17226 1 . VAL 28 28 17226 1 . VAL 29 29 17226 1 . GLU 30 30 17226 1 . ASP 31 31 17226 1 . PHE 32 32 17226 1 . TYR 33 33 17226 1 . VAL 34 34 17226 1 . ARG 35 35 17226 1 . VAL 36 36 17226 1 . LEU 37 37 17226 1 . ALA 38 38 17226 1 . ASP 39 39 17226 1 . ASP 40 40 17226 1 . GLN 41 41 17226 1 . LEU 42 42 17226 1 . SER 43 43 17226 1 . ALA 44 44 17226 1 . PHE 45 45 17226 1 . PHE 46 46 17226 1 . SER 47 47 17226 1 . GLY 48 48 17226 1 . THR 49 49 17226 1 . ASN 50 50 17226 1 . MET 51 51 17226 1 . SER 52 52 17226 1 . ARG 53 53 17226 1 . LEU 54 54 17226 1 . LYS 55 55 17226 1 . GLY 56 56 17226 1 . LYS 57 57 17226 1 . GLN 58 58 17226 1 . VAL 59 59 17226 1 . GLU 60 60 17226 1 . PHE 61 61 17226 1 . PHE 62 62 17226 1 . ALA 63 63 17226 1 . ALA 64 64 17226 1 . ALA 65 65 17226 1 . LEU 66 66 17226 1 . GLY 67 67 17226 1 . GLY 68 68 17226 1 . PRO 69 69 17226 1 . GLU 70 70 17226 1 . PRO 71 71 17226 1 . TYR 72 72 17226 1 . THR 73 73 17226 1 . GLY 74 74 17226 1 . ALA 75 75 17226 1 . PRO 76 76 17226 1 . MET 77 77 17226 1 . LYS 78 78 17226 1 . GLN 79 79 17226 1 . VAL 80 80 17226 1 . HIS 81 81 17226 1 . GLN 82 82 17226 1 . GLY 83 83 17226 1 . ARG 84 84 17226 1 . GLY 85 85 17226 1 . ILE 86 86 17226 1 . THR 87 87 17226 1 . MET 88 88 17226 1 . HIS 89 89 17226 1 . HIS 90 90 17226 1 . PHE 91 91 17226 1 . SER 92 92 17226 1 . LEU 93 93 17226 1 . VAL 94 94 17226 1 . ALA 95 95 17226 1 . GLY 96 96 17226 1 . HIS 97 97 17226 1 . LEU 98 98 17226 1 . ALA 99 99 17226 1 . ASP 100 100 17226 1 . ALA 101 101 17226 1 . LEU 102 102 17226 1 . THR 103 103 17226 1 . ALA 104 104 17226 1 . ALA 105 105 17226 1 . GLY 106 106 17226 1 . VAL 107 107 17226 1 . PRO 108 108 17226 1 . SER 109 109 17226 1 . GLU 110 110 17226 1 . THR 111 111 17226 1 . ILE 112 112 17226 1 . THR 113 113 17226 1 . GLU 114 114 17226 1 . ILE 115 115 17226 1 . LEU 116 116 17226 1 . GLY 117 117 17226 1 . VAL 118 118 17226 1 . ILE 119 119 17226 1 . ALA 120 120 17226 1 . PRO 121 121 17226 1 . LEU 122 122 17226 1 . ALA 123 123 17226 1 . VAL 124 124 17226 1 . ASP 125 125 17226 1 . VAL 126 126 17226 1 . THR 127 127 17226 1 . SER 128 128 17226 1 . GLY 129 129 17226 1 . GLU 130 130 17226 1 . SER 131 131 17226 1 . THR 132 132 17226 1 . THR 133 133 17226 1 . ALA 134 134 17226 1 . PRO 135 135 17226 1 . VAL 136 136 17226 1 stop_ save_ save_FE _Entity.Sf_category entity _Entity.Sf_framecode FE _Entity.Entry_ID 17226 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FE _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 FE _Entity.Nonpolymer_comp_label $chem_comp_FE _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . FE . 17226 2 stop_ save_ save_CYN _Entity.Sf_category entity _Entity.Sf_framecode CYN _Entity.Entry_ID 17226 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CYN _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 CYN _Entity.Nonpolymer_comp_label $chem_comp_CYN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 3 _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 . CYN . 17226 3 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 17226 _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 $trHbN . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 17226 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 17226 _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 $trHbN . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pET3a . . . . . . 17226 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FE _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FE _Chem_comp.Entry_ID 17226 _Chem_comp.ID FE _Chem_comp.Provenance . _Chem_comp.Name 'FE (III) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FE _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FE _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 . _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 3 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Fe _Chem_comp.Formula_weight 55.845 _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _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 Tue Jun 9 14:05:09 2009 ; _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 [Fe+3] SMILES ACDLabs 10.04 17226 FE [Fe+3] SMILES CACTVS 3.341 17226 FE [Fe+3] SMILES 'OpenEye OEToolkits' 1.5.0 17226 FE [Fe+3] SMILES_CANONICAL CACTVS 3.341 17226 FE [Fe+3] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17226 FE InChI=1/Fe/q+3 InChI InChI 1.02b 17226 FE VTLYFUHAOXGGBS-UHFFFAOYAK InChIKey InChI 1.02b 17226 FE 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 iron(3+) 'SYSTEMATIC NAME' ACDLabs 10.04 17226 FE 'iron(+3) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17226 FE 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 FE . FE . . FE . . N 3 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17226 FE stop_ save_ save_chem_comp_CYN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CYN _Chem_comp.Entry_ID 17226 _Chem_comp.ID CYN _Chem_comp.Provenance . _Chem_comp.Name 'CYANIDE ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CYN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces CN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CYN _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 . _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 -1 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C N' _Chem_comp.Formula_weight 26.017 _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 no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B0B _Chem_comp.Processing_site RCSB _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 Tue Jun 9 13:37:52 2009 ; _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 [C-]#N SMILES ACDLabs 10.04 17226 CYN [C-]#N SMILES CACTVS 3.341 17226 CYN [C-]#N SMILES 'OpenEye OEToolkits' 1.5.0 17226 CYN [C-]#N SMILES_CANONICAL CACTVS 3.341 17226 CYN [C-]#N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17226 CYN InChI=1/CN/c1-2/q-1 InChI InChI 1.02b 17226 CYN XFXPMWWXUTWYJX-UHFFFAOYAF InChIKey InChI 1.02b 17226 CYN 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 cyanide 'SYSTEMATIC NAME' ACDLabs 10.04 17226 CYN cyanide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17226 CYN 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 C . C . . C . . N -1 . . . . no no . . . . 6.708 . -5.042 . 17.519 . 0.000 0.000 -0.611 1 . 17226 CYN N . N . . N . . N 0 . . . . no no . . . . 6.693 . -5.522 . 16.471 . 0.000 0.000 0.524 2 . 17226 CYN 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 . TRIP C N . . 1 . 17226 CYN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17226 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 trHbN '[U-99% 15N]' . . 1 $trHbN . . 0.8 . . mM . . . . 17226 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 17226 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17226 1 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17226 1 5 'potassium cyanide' 'natural abundance' . . . . . . 2.4 . . mM . . . . 17226 1 6 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 17226 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17226 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17226 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 trHbN '[U-99% 13C; U-99% 15N]' . . 1 $trHbN . . 0.8 . . mM . . . . 17226 2 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 17226 2 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 17226 2 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17226 2 5 'potassium cyanide' 'natural abundance' . . . . . . 2.4 . . mM . . . . 17226 2 6 EDTA 'natural abundance' . . . . . . 50 . . uM . . . . 17226 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17226 2 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 17226 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 . pH 17226 1 pressure 1 . atm 17226 1 temperature 273 . K 17226 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17226 _Software.ID 1 _Software.Name VNMRJ _Software.Version 2.1b _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17226 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17226 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17226 _Software.ID 2 _Software.Name NMRPipe _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17226 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17226 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17226 _Software.ID 3 _Software.Name NMRDraw _Software.Version 5.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17226 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17226 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17226 _Software.ID 4 _Software.Name NMRView _Software.Version 5.2.2_01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17226 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17226 4 stop_ save_ save_relax _Software.Sf_category software _Software.Sf_framecode relax _Software.Entry_ID 17226 _Software.ID 5 _Software.Name Relax _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Edward D'Auvergne' . . 17226 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID curvefitting 17226 5 stop_ save_ save_ModelFree _Software.Sf_category software _Software.Sf_framecode ModelFree _Software.Entry_ID 17226 _Software.ID 6 _Software.Name ModelFree _Software.Version 4.20 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Palmer . . 17226 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17226 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17226 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17226 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17226 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17226 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 17226 1 2 spectrometer_2 Varian INOVA . 600 . . . 17226 1 3 spectrometer_3 Varian INOVA . 800 . . . 17226 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 17226 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17226 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17226 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 8 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 11 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17226 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 17226 _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 internal indirect 0.251449530 . . . . . . . . . 17226 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . . . . . 17226 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 17226 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_assignments_hbn _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assignments_hbn _Assigned_chem_shift_list.Entry_ID 17226 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17226 1 4 '2D 1H-15N HSQC' . . . 17226 1 5 '3D CBCA(CO)NH' . . . 17226 1 6 '3D C(CO)NH' . . . 17226 1 7 '3D HNCO' . . . 17226 1 8 '3D HNCACB' . . . 17226 1 9 '3D HCCH-TOCSY' . . . 17226 1 10 '3D H(CCO)NH' . . . 17226 1 11 '3D HNHB' . . . 17226 1 12 '3D 1H-13C NOESY' . . . 17226 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 3 3 LEU HA H 1 4.319 0.03 . 1 . . . . 3 LEU HA . 17226 1 2 . 1 1 3 3 LEU HB2 H 1 1.622 0.03 . 2 . . . . 3 LEU HB1 . 17226 1 3 . 1 1 3 3 LEU HD11 H 1 0.882 0.03 . 2 . . . . 3 LEU HD11 . 17226 1 4 . 1 1 3 3 LEU HD12 H 1 0.882 0.03 . 2 . . . . 3 LEU HD11 . 17226 1 5 . 1 1 3 3 LEU HD13 H 1 0.882 0.03 . 2 . . . . 3 LEU HD11 . 17226 1 6 . 1 1 3 3 LEU HD21 H 1 0.929 0.03 . 2 . . . . 3 LEU HD21 . 17226 1 7 . 1 1 3 3 LEU HD22 H 1 0.929 0.03 . 2 . . . . 3 LEU HD21 . 17226 1 8 . 1 1 3 3 LEU HD23 H 1 0.929 0.03 . 2 . . . . 3 LEU HD21 . 17226 1 9 . 1 1 3 3 LEU HG H 1 1.636 0.03 . 1 . . . . 3 LEU HG . 17226 1 10 . 1 1 3 3 LEU C C 13 177.750 0.30 . 1 . . . . 3 LEU C . 17226 1 11 . 1 1 3 3 LEU CA C 13 55.860 0.30 . 1 . . . . 3 LEU CA . 17226 1 12 . 1 1 3 3 LEU CB C 13 42.610 0.30 . 1 . . . . 3 LEU CB . 17226 1 13 . 1 1 3 3 LEU CD1 C 13 23.880 0.30 . 1 . . . . 3 LEU CD1 . 17226 1 14 . 1 1 3 3 LEU CD2 C 13 24.834 0.30 . 1 . . . . 3 LEU CD2 . 17226 1 15 . 1 1 3 3 LEU CG C 13 27.033 0.30 . 1 . . . . 3 LEU CG . 17226 1 16 . 1 1 4 4 LEU H H 1 8.440 0.03 . 1 . . . . 4 LEU HN . 17226 1 17 . 1 1 4 4 LEU HA H 1 4.307 0.03 . 1 . . . . 4 LEU HA . 17226 1 18 . 1 1 4 4 LEU HB2 H 1 1.613 0.03 . 2 . . . . 4 LEU HB1 . 17226 1 19 . 1 1 4 4 LEU HB3 H 1 1.652 0.03 . 2 . . . . 4 LEU HB2 . 17226 1 20 . 1 1 4 4 LEU CA C 13 55.577 0.30 . 1 . . . . 4 LEU CA . 17226 1 21 . 1 1 4 4 LEU CB C 13 42.070 0.30 . 1 . . . . 4 LEU CB . 17226 1 22 . 1 1 4 4 LEU N N 15 122.137 0.3 . 1 . . . . 4 LEU N . 17226 1 23 . 1 1 5 5 SER H H 1 8.220 0.03 . 1 . . . . 5 SER HN . 17226 1 24 . 1 1 5 5 SER N N 15 116.510 0.3 . 1 . . . . 5 SER N . 17226 1 25 . 1 1 6 6 ARG HA H 1 4.342 0.03 . 1 . . . . 6 ARG HA . 17226 1 26 . 1 1 6 6 ARG HB2 H 1 1.851 0.03 . 2 . . . . 6 ARG HB1 . 17226 1 27 . 1 1 6 6 ARG HB3 H 1 1.775 0.03 . 2 . . . . 6 ARG HB2 . 17226 1 28 . 1 1 6 6 ARG C C 13 176.310 0.30 . 1 . . . . 6 ARG C . 17226 1 29 . 1 1 6 6 ARG CA C 13 56.430 0.30 . 1 . . . . 6 ARG CA . 17226 1 30 . 1 1 6 6 ARG CB C 13 30.560 0.30 . 1 . . . . 6 ARG CB . 17226 1 31 . 1 1 6 6 ARG CG C 13 27.190 0.30 . 1 . . . . 6 ARG CG . 17226 1 32 . 1 1 7 7 LEU H H 1 8.091 0.03 . 1 . . . . 7 LEU HN . 17226 1 33 . 1 1 7 7 LEU HA H 1 4.325 0.03 . 1 . . . . 7 LEU HA . 17226 1 34 . 1 1 7 7 LEU HB2 H 1 1.643 0.03 . 2 . . . . 7 LEU HB1 . 17226 1 35 . 1 1 7 7 LEU C C 13 177.236 0.30 . 1 . . . . 7 LEU C . 17226 1 36 . 1 1 7 7 LEU CA C 13 55.310 0.30 . 1 . . . . 7 LEU CA . 17226 1 37 . 1 1 7 7 LEU CB C 13 42.270 0.30 . 1 . . . . 7 LEU CB . 17226 1 38 . 1 1 7 7 LEU N N 15 122.040 0.3 . 1 . . . . 7 LEU N . 17226 1 39 . 1 1 8 8 ARG H H 1 8.214 0.03 . 1 . . . . 8 ARG HN . 17226 1 40 . 1 1 8 8 ARG CA C 13 56.050 0.30 . 1 . . . . 8 ARG CA . 17226 1 41 . 1 1 8 8 ARG CB C 13 30.816 0.30 . 1 . . . . 8 ARG CB . 17226 1 42 . 1 1 8 8 ARG N N 15 121.835 0.3 . 1 . . . . 8 ARG N . 17226 1 43 . 1 1 9 9 LYS C C 13 176.220 0.30 . 1 . . . . 9 LYS C . 17226 1 44 . 1 1 9 9 LYS CA C 13 56.376 0.30 . 1 . . . . 9 LYS CA . 17226 1 45 . 1 1 9 9 LYS CB C 13 33.130 0.30 . 1 . . . . 9 LYS CB . 17226 1 46 . 1 1 9 9 LYS CD C 13 29.233 0.30 . 1 . . . . 9 LYS CD . 17226 1 47 . 1 1 10 10 ARG H H 1 8.380 0.03 . 1 . . . . 10 ARG HN . 17226 1 48 . 1 1 10 10 ARG HA H 1 4.323 0.03 . 1 . . . . 10 ARG HA . 17226 1 49 . 1 1 10 10 ARG HB2 H 1 1.842 0.03 . 2 . . . . 10 ARG HB1 . 17226 1 50 . 1 1 10 10 ARG HB3 H 1 1.774 0.03 . 2 . . . . 10 ARG HB2 . 17226 1 51 . 1 1 10 10 ARG HD2 H 1 3.208 0.03 . 2 . . . . 10 ARG HD1 . 17226 1 52 . 1 1 10 10 ARG HD3 H 1 3.313 0.03 . 2 . . . . 10 ARG HD2 . 17226 1 53 . 1 1 10 10 ARG C C 13 175.900 0.30 . 1 . . . . 10 ARG C . 17226 1 54 . 1 1 10 10 ARG CA C 13 56.060 0.30 . 1 . . . . 10 ARG CA . 17226 1 55 . 1 1 10 10 ARG CB C 13 30.980 0.30 . 1 . . . . 10 ARG CB . 17226 1 56 . 1 1 10 10 ARG CD C 13 43.517 0.30 . 1 . . . . 10 ARG CD . 17226 1 57 . 1 1 10 10 ARG CG C 13 27.070 0.30 . 1 . . . . 10 ARG CG . 17226 1 58 . 1 1 10 10 ARG N N 15 122.308 0.3 . 1 . . . . 10 ARG N . 17226 1 59 . 1 1 11 11 GLU H H 1 8.425 0.03 . 1 . . . . 11 GLU HN . 17226 1 60 . 1 1 11 11 GLU HA H 1 4.580 0.03 . 1 . . . . 11 GLU HA . 17226 1 61 . 1 1 11 11 GLU HB2 H 1 2.050 0.03 . 2 . . . . 11 GLU HB1 . 17226 1 62 . 1 1 11 11 GLU HB3 H 1 1.890 0.03 . 2 . . . . 11 GLU HB2 . 17226 1 63 . 1 1 11 11 GLU CA C 13 54.430 0.30 . 1 . . . . 11 GLU CA . 17226 1 64 . 1 1 11 11 GLU CB C 13 29.597 0.30 . 1 . . . . 11 GLU CB . 17226 1 65 . 1 1 11 11 GLU N N 15 123.269 0.3 . 1 . . . . 11 GLU N . 17226 1 66 . 1 1 12 12 PRO HA H 1 4.458 0.03 . 1 . . . . 12 PRO HA . 17226 1 67 . 1 1 12 12 PRO HB2 H 1 2.286 0.03 . 2 . . . . 12 PRO HB1 . 17226 1 68 . 1 1 12 12 PRO HB3 H 1 1.982 0.03 . 2 . . . . 12 PRO HB2 . 17226 1 69 . 1 1 12 12 PRO HD2 H 1 3.831 0.03 . 2 . . . . 12 PRO HD1 . 17226 1 70 . 1 1 12 12 PRO HD3 H 1 3.685 0.03 . 2 . . . . 12 PRO HD2 . 17226 1 71 . 1 1 12 12 PRO HG2 H 1 2.052 0.03 . 2 . . . . 12 PRO HG1 . 17226 1 72 . 1 1 12 12 PRO C C 13 176.360 0.30 . 1 . . . . 12 PRO C . 17226 1 73 . 1 1 12 12 PRO CA C 13 63.170 0.30 . 1 . . . . 12 PRO CA . 17226 1 74 . 1 1 12 12 PRO CB C 13 31.930 0.30 . 1 . . . . 12 PRO CB . 17226 1 75 . 1 1 12 12 PRO CG C 13 27.460 0.30 . 1 . . . . 12 PRO CG . 17226 1 76 . 1 1 13 13 ILE H H 1 8.360 0.03 . 1 . . . . 13 ILE HN . 17226 1 77 . 1 1 13 13 ILE HA H 1 4.363 0.03 . 1 . . . . 13 ILE HA . 17226 1 78 . 1 1 13 13 ILE HB H 1 1.890 0.03 . 1 . . . . 13 ILE HB . 17226 1 79 . 1 1 13 13 ILE HD11 H 1 0.854 0.03 . 1 . . . . 13 ILE HD11 . 17226 1 80 . 1 1 13 13 ILE HD12 H 1 0.854 0.03 . 1 . . . . 13 ILE HD11 . 17226 1 81 . 1 1 13 13 ILE HD13 H 1 0.854 0.03 . 1 . . . . 13 ILE HD11 . 17226 1 82 . 1 1 13 13 ILE HG21 H 1 0.978 0.03 . 1 . . . . 13 ILE HG21 . 17226 1 83 . 1 1 13 13 ILE HG22 H 1 0.978 0.03 . 1 . . . . 13 ILE HG21 . 17226 1 84 . 1 1 13 13 ILE HG23 H 1 0.978 0.03 . 1 . . . . 13 ILE HG21 . 17226 1 85 . 1 1 13 13 ILE C C 13 175.920 0.30 . 1 . . . . 13 ILE C . 17226 1 86 . 1 1 13 13 ILE CA C 13 61.030 0.30 . 1 . . . . 13 ILE CA . 17226 1 87 . 1 1 13 13 ILE CB C 13 39.590 0.30 . 1 . . . . 13 ILE CB . 17226 1 88 . 1 1 13 13 ILE CD1 C 13 13.114 0.30 . 1 . . . . 13 ILE CD1 . 17226 1 89 . 1 1 13 13 ILE CG1 C 13 27.210 0.30 . 1 . . . . 13 ILE CG1 . 17226 1 90 . 1 1 13 13 ILE CG2 C 13 17.518 0.30 . 1 . . . . 13 ILE CG2 . 17226 1 91 . 1 1 13 13 ILE N N 15 120.808 0.3 . 1 . . . . 13 ILE N . 17226 1 92 . 1 1 14 14 SER H H 1 8.738 0.03 . 1 . . . . 14 SER HN . 17226 1 93 . 1 1 14 14 SER HA H 1 4.568 0.03 . 1 . . . . 14 SER HA . 17226 1 94 . 1 1 14 14 SER HB2 H 1 4.199 0.03 . 2 . . . . 14 SER HB1 . 17226 1 95 . 1 1 14 14 SER C C 13 175.020 0.30 . 1 . . . . 14 SER C . 17226 1 96 . 1 1 14 14 SER CA C 13 57.210 0.30 . 1 . . . . 14 SER CA . 17226 1 97 . 1 1 14 14 SER CB C 13 65.560 0.30 . 1 . . . . 14 SER CB . 17226 1 98 . 1 1 14 14 SER N N 15 120.053 0.3 . 1 . . . . 14 SER N . 17226 1 99 . 1 1 15 15 ILE H H 1 9.197 0.03 . 1 . . . . 15 ILE HN . 17226 1 100 . 1 1 15 15 ILE HA H 1 3.558 0.03 . 1 . . . . 15 ILE HA . 17226 1 101 . 1 1 15 15 ILE HB H 1 1.939 0.03 . 1 . . . . 15 ILE HB . 17226 1 102 . 1 1 15 15 ILE C C 13 177.010 0.30 . 1 . . . . 15 ILE C . 17226 1 103 . 1 1 15 15 ILE CA C 13 66.310 0.30 . 1 . . . . 15 ILE CA . 17226 1 104 . 1 1 15 15 ILE CB C 13 37.290 0.30 . 1 . . . . 15 ILE CB . 17226 1 105 . 1 1 15 15 ILE CG2 C 13 19.560 0.30 . 1 . . . . 15 ILE CG2 . 17226 1 106 . 1 1 15 15 ILE N N 15 123.057 0.3 . 1 . . . . 15 ILE N . 17226 1 107 . 1 1 16 16 TYR H H 1 8.289 0.03 . 1 . . . . 16 TYR HN . 17226 1 108 . 1 1 16 16 TYR HA H 1 3.675 0.03 . 1 . . . . 16 TYR HA . 17226 1 109 . 1 1 16 16 TYR HB2 H 1 2.772 0.03 . 2 . . . . 16 TYR HB1 . 17226 1 110 . 1 1 16 16 TYR HB3 H 1 2.582 0.03 . 2 . . . . 16 TYR HB2 . 17226 1 111 . 1 1 16 16 TYR C C 13 175.650 0.30 . 1 . . . . 16 TYR C . 17226 1 112 . 1 1 16 16 TYR CA C 13 61.968 0.30 . 1 . . . . 16 TYR CA . 17226 1 113 . 1 1 16 16 TYR CB C 13 39.077 0.30 . 1 . . . . 16 TYR CB . 17226 1 114 . 1 1 16 16 TYR N N 15 118.150 0.3 . 1 . . . . 16 TYR N . 17226 1 115 . 1 1 17 17 ASP H H 1 8.075 0.03 . 1 . . . . 17 ASP HN . 17226 1 116 . 1 1 17 17 ASP HA H 1 4.291 0.03 . 1 . . . . 17 ASP HA . 17226 1 117 . 1 1 17 17 ASP HB2 H 1 2.870 0.03 . 2 . . . . 17 ASP HB1 . 17226 1 118 . 1 1 17 17 ASP HB3 H 1 2.664 0.03 . 2 . . . . 17 ASP HB2 . 17226 1 119 . 1 1 17 17 ASP C C 13 179.864 0.30 . 1 . . . . 17 ASP C . 17226 1 120 . 1 1 17 17 ASP CA C 13 57.130 0.30 . 1 . . . . 17 ASP CA . 17226 1 121 . 1 1 17 17 ASP CB C 13 41.084 0.30 . 1 . . . . 17 ASP CB . 17226 1 122 . 1 1 17 17 ASP N N 15 118.560 0.3 . 1 . . . . 17 ASP N . 17226 1 123 . 1 1 18 18 LYS H H 1 8.390 0.03 . 1 . . . . 18 LYS HN . 17226 1 124 . 1 1 18 18 LYS HA H 1 3.983 0.03 . 1 . . . . 18 LYS HA . 17226 1 125 . 1 1 18 18 LYS HB2 H 1 2.026 0.03 . 2 . . . . 18 LYS HB1 . 17226 1 126 . 1 1 18 18 LYS HB3 H 1 1.957 0.03 . 2 . . . . 18 LYS HB2 . 17226 1 127 . 1 1 18 18 LYS C C 13 179.240 0.30 . 1 . . . . 18 LYS C . 17226 1 128 . 1 1 18 18 LYS CA C 13 60.035 0.30 . 1 . . . . 18 LYS CA . 17226 1 129 . 1 1 18 18 LYS CB C 13 32.950 0.30 . 1 . . . . 18 LYS CB . 17226 1 130 . 1 1 18 18 LYS N N 15 121.690 0.3 . 1 . . . . 18 LYS N . 17226 1 131 . 1 1 19 19 ILE H H 1 8.058 0.03 . 1 . . . . 19 ILE HN . 17226 1 132 . 1 1 19 19 ILE HA H 1 4.394 0.03 . 1 . . . . 19 ILE HA . 17226 1 133 . 1 1 19 19 ILE HB H 1 2.040 0.03 . 1 . . . . 19 ILE HB . 17226 1 134 . 1 1 19 19 ILE C C 13 174.670 0.30 . 1 . . . . 19 ILE C . 17226 1 135 . 1 1 19 19 ILE CA C 13 61.873 0.30 . 1 . . . . 19 ILE CA . 17226 1 136 . 1 1 19 19 ILE CB C 13 38.570 0.30 . 1 . . . . 19 ILE CB . 17226 1 137 . 1 1 19 19 ILE N N 15 110.065 0.3 . 1 . . . . 19 ILE N . 17226 1 138 . 1 1 20 20 GLY H H 1 7.155 0.03 . 1 . . . . 20 GLY HN . 17226 1 139 . 1 1 20 20 GLY HA2 H 1 4.454 0.03 . 2 . . . . 20 GLY HA1 . 17226 1 140 . 1 1 20 20 GLY HA3 H 1 3.640 0.03 . 2 . . . . 20 GLY HA2 . 17226 1 141 . 1 1 20 20 GLY C C 13 175.650 0.30 . 1 . . . . 20 GLY C . 17226 1 142 . 1 1 20 20 GLY CA C 13 44.740 0.30 . 1 . . . . 20 GLY CA . 17226 1 143 . 1 1 20 20 GLY N N 15 105.040 0.3 . 1 . . . . 20 GLY N . 17226 1 144 . 1 1 21 21 GLY H H 1 8.110 0.03 . 1 . . . . 21 GLY HN . 17226 1 145 . 1 1 21 21 GLY HA2 H 1 3.652 0.03 . 2 . . . . 21 GLY HA1 . 17226 1 146 . 1 1 21 21 GLY HA3 H 1 1.821 0.03 . 2 . . . . 21 GLY HA2 . 17226 1 147 . 1 1 21 21 GLY C C 13 173.706 0.30 . 1 . . . . 21 GLY C . 17226 1 148 . 1 1 21 21 GLY CA C 13 44.500 0.30 . 1 . . . . 21 GLY CA . 17226 1 149 . 1 1 21 21 GLY N N 15 109.413 0.3 . 1 . . . . 21 GLY N . 17226 1 150 . 1 1 22 22 HIS H H 1 8.132 0.03 . 1 . . . . 22 HIS HN . 17226 1 151 . 1 1 22 22 HIS HA H 1 3.782 0.03 . 1 . . . . 22 HIS HA . 17226 1 152 . 1 1 22 22 HIS HB2 H 1 3.404 0.03 . 2 . . . . 22 HIS HB1 . 17226 1 153 . 1 1 22 22 HIS HB3 H 1 3.231 0.03 . 2 . . . . 22 HIS HB2 . 17226 1 154 . 1 1 22 22 HIS C C 13 176.970 0.30 . 1 . . . . 22 HIS C . 17226 1 155 . 1 1 22 22 HIS CA C 13 62.050 0.30 . 1 . . . . 22 HIS CA . 17226 1 156 . 1 1 22 22 HIS CB C 13 30.470 0.30 . 1 . . . . 22 HIS CB . 17226 1 157 . 1 1 22 22 HIS N N 15 120.543 0.3 . 1 . . . . 22 HIS N . 17226 1 158 . 1 1 23 23 GLU H H 1 9.120 0.03 . 1 . . . . 23 GLU HN . 17226 1 159 . 1 1 23 23 GLU HA H 1 4.127 0.03 . 1 . . . . 23 GLU HA . 17226 1 160 . 1 1 23 23 GLU HB2 H 1 2.425 0.03 . 2 . . . . 23 GLU HB1 . 17226 1 161 . 1 1 23 23 GLU HB3 H 1 2.110 0.03 . 2 . . . . 23 GLU HB2 . 17226 1 162 . 1 1 23 23 GLU C C 13 178.780 0.30 . 1 . . . . 23 GLU C . 17226 1 163 . 1 1 23 23 GLU CA C 13 59.910 0.30 . 1 . . . . 23 GLU CA . 17226 1 164 . 1 1 23 23 GLU CB C 13 29.417 0.30 . 1 . . . . 23 GLU CB . 17226 1 165 . 1 1 23 23 GLU N N 15 116.550 0.3 . 1 . . . . 23 GLU N . 17226 1 166 . 1 1 24 24 ALA H H 1 6.712 0.03 . 1 . . . . 24 ALA HN . 17226 1 167 . 1 1 24 24 ALA HA H 1 4.280 0.03 . 1 . . . . 24 ALA HA . 17226 1 168 . 1 1 24 24 ALA HB1 H 1 1.363 0.03 . 1 . . . . 24 ALA HB1 . 17226 1 169 . 1 1 24 24 ALA HB2 H 1 1.363 0.03 . 1 . . . . 24 ALA HB1 . 17226 1 170 . 1 1 24 24 ALA HB3 H 1 1.363 0.03 . 1 . . . . 24 ALA HB1 . 17226 1 171 . 1 1 24 24 ALA C C 13 179.826 0.30 . 1 . . . . 24 ALA C . 17226 1 172 . 1 1 24 24 ALA CA C 13 54.455 0.30 . 1 . . . . 24 ALA CA . 17226 1 173 . 1 1 24 24 ALA CB C 13 19.683 0.30 . 1 . . . . 24 ALA CB . 17226 1 174 . 1 1 24 24 ALA N N 15 119.810 0.3 . 1 . . . . 24 ALA N . 17226 1 175 . 1 1 25 25 ILE H H 1 7.775 0.03 . 1 . . . . 25 ILE HN . 17226 1 176 . 1 1 25 25 ILE HA H 1 3.437 0.03 . 1 . . . . 25 ILE HA . 17226 1 177 . 1 1 25 25 ILE HB H 1 1.959 0.03 . 1 . . . . 25 ILE HB . 17226 1 178 . 1 1 25 25 ILE C C 13 177.390 0.30 . 1 . . . . 25 ILE C . 17226 1 179 . 1 1 25 25 ILE CA C 13 65.380 0.30 . 1 . . . . 25 ILE CA . 17226 1 180 . 1 1 25 25 ILE CB C 13 37.360 0.30 . 1 . . . . 25 ILE CB . 17226 1 181 . 1 1 25 25 ILE CG1 C 13 30.064 0.30 . 1 . . . . 25 ILE CG1 . 17226 1 182 . 1 1 25 25 ILE N N 15 117.560 0.3 . 1 . . . . 25 ILE N . 17226 1 183 . 1 1 26 26 GLU H H 1 8.538 0.03 . 1 . . . . 26 GLU HN . 17226 1 184 . 1 1 26 26 GLU HA H 1 4.042 0.03 . 1 . . . . 26 GLU HA . 17226 1 185 . 1 1 26 26 GLU HB2 H 1 2.340 0.03 . 2 . . . . 26 GLU HB1 . 17226 1 186 . 1 1 26 26 GLU HB3 H 1 2.240 0.03 . 2 . . . . 26 GLU HB2 . 17226 1 187 . 1 1 26 26 GLU C C 13 178.910 0.30 . 1 . . . . 26 GLU C . 17226 1 188 . 1 1 26 26 GLU CA C 13 61.022 0.30 . 1 . . . . 26 GLU CA . 17226 1 189 . 1 1 26 26 GLU CB C 13 29.959 0.30 . 1 . . . . 26 GLU CB . 17226 1 190 . 1 1 26 26 GLU N N 15 119.061 0.3 . 1 . . . . 26 GLU N . 17226 1 191 . 1 1 27 27 VAL H H 1 7.312 0.03 . 1 . . . . 27 VAL HN . 17226 1 192 . 1 1 27 27 VAL HA H 1 3.948 0.03 . 1 . . . . 27 VAL HA . 17226 1 193 . 1 1 27 27 VAL HB H 1 2.373 0.03 . 1 . . . . 27 VAL HB . 17226 1 194 . 1 1 27 27 VAL HG11 H 1 1.262 0.03 . 2 . . . . 27 VAL HG11 . 17226 1 195 . 1 1 27 27 VAL HG12 H 1 1.262 0.03 . 2 . . . . 27 VAL HG11 . 17226 1 196 . 1 1 27 27 VAL HG13 H 1 1.262 0.03 . 2 . . . . 27 VAL HG11 . 17226 1 197 . 1 1 27 27 VAL HG21 H 1 1.148 0.03 . 2 . . . . 27 VAL HG21 . 17226 1 198 . 1 1 27 27 VAL HG22 H 1 1.148 0.03 . 2 . . . . 27 VAL HG21 . 17226 1 199 . 1 1 27 27 VAL HG23 H 1 1.148 0.03 . 2 . . . . 27 VAL HG21 . 17226 1 200 . 1 1 27 27 VAL C C 13 179.238 0.30 . 1 . . . . 27 VAL C . 17226 1 201 . 1 1 27 27 VAL CA C 13 66.387 0.30 . 1 . . . . 27 VAL CA . 17226 1 202 . 1 1 27 27 VAL CB C 13 32.330 0.30 . 1 . . . . 27 VAL CB . 17226 1 203 . 1 1 27 27 VAL CG1 C 13 22.607 0.30 . 1 . . . . 27 VAL CG1 . 17226 1 204 . 1 1 27 27 VAL CG2 C 13 21.253 0.30 . 1 . . . . 27 VAL CG2 . 17226 1 205 . 1 1 27 27 VAL N N 15 118.128 0.3 . 1 . . . . 27 VAL N . 17226 1 206 . 1 1 28 28 VAL H H 1 8.069 0.03 . 1 . . . . 28 VAL HN . 17226 1 207 . 1 1 28 28 VAL HA H 1 3.857 0.03 . 1 . . . . 28 VAL HA . 17226 1 208 . 1 1 28 28 VAL HB H 1 2.222 0.03 . 1 . . . . 28 VAL HB . 17226 1 209 . 1 1 28 28 VAL HG11 H 1 1.019 0.03 . 2 . . . . 28 VAL HG11 . 17226 1 210 . 1 1 28 28 VAL HG12 H 1 1.019 0.03 . 2 . . . . 28 VAL HG11 . 17226 1 211 . 1 1 28 28 VAL HG13 H 1 1.019 0.03 . 2 . . . . 28 VAL HG11 . 17226 1 212 . 1 1 28 28 VAL HG21 H 1 0.812 0.03 . 2 . . . . 28 VAL HG21 . 17226 1 213 . 1 1 28 28 VAL HG22 H 1 0.812 0.03 . 2 . . . . 28 VAL HG21 . 17226 1 214 . 1 1 28 28 VAL HG23 H 1 0.812 0.03 . 2 . . . . 28 VAL HG21 . 17226 1 215 . 1 1 28 28 VAL C C 13 177.730 0.30 . 1 . . . . 28 VAL C . 17226 1 216 . 1 1 28 28 VAL CA C 13 66.667 0.30 . 1 . . . . 28 VAL CA . 17226 1 217 . 1 1 28 28 VAL CB C 13 31.960 0.30 . 1 . . . . 28 VAL CB . 17226 1 218 . 1 1 28 28 VAL CG1 C 13 23.408 0.30 . 1 . . . . 28 VAL CG1 . 17226 1 219 . 1 1 28 28 VAL CG2 C 13 20.600 0.30 . 1 . . . . 28 VAL CG2 . 17226 1 220 . 1 1 28 28 VAL N N 15 121.437 0.3 . 1 . . . . 28 VAL N . 17226 1 221 . 1 1 29 29 VAL H H 1 9.144 0.03 . 1 . . . . 29 VAL HN . 17226 1 222 . 1 1 29 29 VAL HA H 1 4.149 0.03 . 1 . . . . 29 VAL HA . 17226 1 223 . 1 1 29 29 VAL HB H 1 2.573 0.03 . 1 . . . . 29 VAL HB . 17226 1 224 . 1 1 29 29 VAL HG11 H 1 1.279 0.03 . 2 . . . . 29 VAL HG11 . 17226 1 225 . 1 1 29 29 VAL HG12 H 1 1.279 0.03 . 2 . . . . 29 VAL HG11 . 17226 1 226 . 1 1 29 29 VAL HG13 H 1 1.279 0.03 . 2 . . . . 29 VAL HG11 . 17226 1 227 . 1 1 29 29 VAL HG21 H 1 2.135 0.03 . 2 . . . . 29 VAL HG21 . 17226 1 228 . 1 1 29 29 VAL HG22 H 1 2.135 0.03 . 2 . . . . 29 VAL HG21 . 17226 1 229 . 1 1 29 29 VAL HG23 H 1 2.135 0.03 . 2 . . . . 29 VAL HG21 . 17226 1 230 . 1 1 29 29 VAL C C 13 177.550 0.30 . 1 . . . . 29 VAL C . 17226 1 231 . 1 1 29 29 VAL CA C 13 68.040 0.30 . 1 . . . . 29 VAL CA . 17226 1 232 . 1 1 29 29 VAL CB C 13 31.756 0.30 . 1 . . . . 29 VAL CB . 17226 1 233 . 1 1 29 29 VAL CG1 C 13 25.060 0.30 . 1 . . . . 29 VAL CG1 . 17226 1 234 . 1 1 29 29 VAL CG2 C 13 23.271 0.30 . 1 . . . . 29 VAL CG2 . 17226 1 235 . 1 1 29 29 VAL N N 15 119.696 0.3 . 1 . . . . 29 VAL N . 17226 1 236 . 1 1 30 30 GLU H H 1 8.240 0.03 . 1 . . . . 30 GLU HN . 17226 1 237 . 1 1 30 30 GLU HA H 1 4.579 0.03 . 1 . . . . 30 GLU HA . 17226 1 238 . 1 1 30 30 GLU HB2 H 1 2.460 0.03 . 2 . . . . 30 GLU HB1 . 17226 1 239 . 1 1 30 30 GLU HG2 H 1 2.710 0.03 . 2 . . . . 30 GLU HG1 . 17226 1 240 . 1 1 30 30 GLU HG3 H 1 2.570 0.03 . 2 . . . . 30 GLU HG2 . 17226 1 241 . 1 1 30 30 GLU C C 13 179.017 0.30 . 1 . . . . 30 GLU C . 17226 1 242 . 1 1 30 30 GLU CA C 13 60.345 0.30 . 1 . . . . 30 GLU CA . 17226 1 243 . 1 1 30 30 GLU CB C 13 29.679 0.30 . 1 . . . . 30 GLU CB . 17226 1 244 . 1 1 30 30 GLU CG C 13 35.570 0.30 . 1 . . . . 30 GLU CG . 17226 1 245 . 1 1 30 30 GLU N N 15 119.440 0.3 . 1 . . . . 30 GLU N . 17226 1 246 . 1 1 31 31 ASP H H 1 7.839 0.03 . 1 . . . . 31 ASP HN . 17226 1 247 . 1 1 31 31 ASP HA H 1 4.753 0.03 . 1 . . . . 31 ASP HA . 17226 1 248 . 1 1 31 31 ASP HB2 H 1 3.047 0.03 . 2 . . . . 31 ASP HB1 . 17226 1 249 . 1 1 31 31 ASP C C 13 178.023 0.30 . 1 . . . . 31 ASP C . 17226 1 250 . 1 1 31 31 ASP CA C 13 57.878 0.30 . 1 . . . . 31 ASP CA . 17226 1 251 . 1 1 31 31 ASP CB C 13 42.877 0.30 . 1 . . . . 31 ASP CB . 17226 1 252 . 1 1 31 31 ASP N N 15 119.117 0.3 . 1 . . . . 31 ASP N . 17226 1 253 . 1 1 32 32 PHE H H 1 9.595 0.03 . 1 . . . . 32 PHE HN . 17226 1 254 . 1 1 32 32 PHE HA H 1 4.102 0.03 . 1 . . . . 32 PHE HA . 17226 1 255 . 1 1 32 32 PHE HB2 H 1 3.359 0.03 . 2 . . . . 32 PHE HB1 . 17226 1 256 . 1 1 32 32 PHE C C 13 177.053 0.30 . 1 . . . . 32 PHE C . 17226 1 257 . 1 1 32 32 PHE CA C 13 60.980 0.30 . 1 . . . . 32 PHE CA . 17226 1 258 . 1 1 32 32 PHE CB C 13 39.930 0.30 . 1 . . . . 32 PHE CB . 17226 1 259 . 1 1 32 32 PHE N N 15 120.187 0.3 . 1 . . . . 32 PHE N . 17226 1 260 . 1 1 33 33 TYR H H 1 8.793 0.03 . 1 . . . . 33 TYR HN . 17226 1 261 . 1 1 33 33 TYR HA H 1 4.874 0.03 . 1 . . . . 33 TYR HA . 17226 1 262 . 1 1 33 33 TYR HB2 H 1 3.761 0.03 . 2 . . . . 33 TYR HB1 . 17226 1 263 . 1 1 33 33 TYR HB3 H 1 3.585 0.03 . 2 . . . . 33 TYR HB2 . 17226 1 264 . 1 1 33 33 TYR C C 13 179.046 0.30 . 1 . . . . 33 TYR C . 17226 1 265 . 1 1 33 33 TYR CA C 13 65.230 0.30 . 1 . . . . 33 TYR CA . 17226 1 266 . 1 1 33 33 TYR CB C 13 38.936 0.30 . 1 . . . . 33 TYR CB . 17226 1 267 . 1 1 33 33 TYR N N 15 115.228 0.3 . 1 . . . . 33 TYR N . 17226 1 268 . 1 1 34 34 VAL H H 1 8.203 0.03 . 1 . . . . 34 VAL HN . 17226 1 269 . 1 1 34 34 VAL HA H 1 3.883 0.03 . 1 . . . . 34 VAL HA . 17226 1 270 . 1 1 34 34 VAL HB H 1 2.740 0.03 . 1 . . . . 34 VAL HB . 17226 1 271 . 1 1 34 34 VAL HG11 H 1 1.415 0.03 . 2 . . . . 34 VAL HG11 . 17226 1 272 . 1 1 34 34 VAL HG12 H 1 1.415 0.03 . 2 . . . . 34 VAL HG11 . 17226 1 273 . 1 1 34 34 VAL HG13 H 1 1.415 0.03 . 2 . . . . 34 VAL HG11 . 17226 1 274 . 1 1 34 34 VAL HG21 H 1 1.090 0.03 . 2 . . . . 34 VAL HG21 . 17226 1 275 . 1 1 34 34 VAL HG22 H 1 1.090 0.03 . 2 . . . . 34 VAL HG21 . 17226 1 276 . 1 1 34 34 VAL HG23 H 1 1.090 0.03 . 2 . . . . 34 VAL HG21 . 17226 1 277 . 1 1 34 34 VAL C C 13 179.360 0.30 . 1 . . . . 34 VAL C . 17226 1 278 . 1 1 34 34 VAL CA C 13 67.549 0.30 . 1 . . . . 34 VAL CA . 17226 1 279 . 1 1 34 34 VAL CB C 13 31.320 0.30 . 1 . . . . 34 VAL CB . 17226 1 280 . 1 1 34 34 VAL CG1 C 13 23.394 0.30 . 1 . . . . 34 VAL CG1 . 17226 1 281 . 1 1 34 34 VAL CG2 C 13 21.580 0.30 . 1 . . . . 34 VAL CG2 . 17226 1 282 . 1 1 34 34 VAL N N 15 123.021 0.3 . 1 . . . . 34 VAL N . 17226 1 283 . 1 1 35 35 ARG H H 1 7.801 0.03 . 1 . . . . 35 ARG HN . 17226 1 284 . 1 1 35 35 ARG HA H 1 3.840 0.03 . 1 . . . . 35 ARG HA . 17226 1 285 . 1 1 35 35 ARG HB2 H 1 2.053 0.03 . 2 . . . . 35 ARG HB1 . 17226 1 286 . 1 1 35 35 ARG HB3 H 1 1.882 0.03 . 2 . . . . 35 ARG HB2 . 17226 1 287 . 1 1 35 35 ARG C C 13 178.889 0.30 . 1 . . . . 35 ARG C . 17226 1 288 . 1 1 35 35 ARG CA C 13 58.962 0.30 . 1 . . . . 35 ARG CA . 17226 1 289 . 1 1 35 35 ARG CB C 13 29.235 0.30 . 1 . . . . 35 ARG CB . 17226 1 290 . 1 1 35 35 ARG N N 15 119.340 0.3 . 1 . . . . 35 ARG N . 17226 1 291 . 1 1 36 36 VAL H H 1 8.423 0.03 . 1 . . . . 36 VAL HN . 17226 1 292 . 1 1 36 36 VAL HA H 1 3.162 0.03 . 1 . . . . 36 VAL HA . 17226 1 293 . 1 1 36 36 VAL HB H 1 2.324 0.03 . 1 . . . . 36 VAL HB . 17226 1 294 . 1 1 36 36 VAL HG11 H 1 0.772 0.03 . 2 . . . . 36 VAL HG11 . 17226 1 295 . 1 1 36 36 VAL HG12 H 1 0.772 0.03 . 2 . . . . 36 VAL HG11 . 17226 1 296 . 1 1 36 36 VAL HG13 H 1 0.772 0.03 . 2 . . . . 36 VAL HG11 . 17226 1 297 . 1 1 36 36 VAL HG21 H 1 1.172 0.03 . 2 . . . . 36 VAL HG21 . 17226 1 298 . 1 1 36 36 VAL HG22 H 1 1.172 0.03 . 2 . . . . 36 VAL HG21 . 17226 1 299 . 1 1 36 36 VAL HG23 H 1 1.172 0.03 . 2 . . . . 36 VAL HG21 . 17226 1 300 . 1 1 36 36 VAL C C 13 177.649 0.30 . 1 . . . . 36 VAL C . 17226 1 301 . 1 1 36 36 VAL CA C 13 66.760 0.30 . 1 . . . . 36 VAL CA . 17226 1 302 . 1 1 36 36 VAL CB C 13 33.263 0.30 . 1 . . . . 36 VAL CB . 17226 1 303 . 1 1 36 36 VAL CG1 C 13 23.820 0.30 . 1 . . . . 36 VAL CG1 . 17226 1 304 . 1 1 36 36 VAL CG2 C 13 22.912 0.30 . 1 . . . . 36 VAL CG2 . 17226 1 305 . 1 1 36 36 VAL N N 15 119.018 0.3 . 1 . . . . 36 VAL N . 17226 1 306 . 1 1 37 37 LEU H H 1 8.494 0.03 . 1 . . . . 37 LEU HN . 17226 1 307 . 1 1 37 37 LEU HA H 1 4.095 0.03 . 1 . . . . 37 LEU HA . 17226 1 308 . 1 1 37 37 LEU HB2 H 1 2.202 0.03 . 2 . . . . 37 LEU HB1 . 17226 1 309 . 1 1 37 37 LEU HB3 H 1 1.713 0.03 . 2 . . . . 37 LEU HB2 . 17226 1 310 . 1 1 37 37 LEU C C 13 178.525 0.30 . 1 . . . . 37 LEU C . 17226 1 311 . 1 1 37 37 LEU CA C 13 57.088 0.30 . 1 . . . . 37 LEU CA . 17226 1 312 . 1 1 37 37 LEU CB C 13 40.705 0.30 . 1 . . . . 37 LEU CB . 17226 1 313 . 1 1 37 37 LEU N N 15 114.550 0.3 . 1 . . . . 37 LEU N . 17226 1 314 . 1 1 38 38 ALA H H 1 7.280 0.03 . 1 . . . . 38 ALA HN . 17226 1 315 . 1 1 38 38 ALA HA H 1 4.428 0.03 . 1 . . . . 38 ALA HA . 17226 1 316 . 1 1 38 38 ALA HB1 H 1 1.540 0.03 . 1 . . . . 38 ALA HB1 . 17226 1 317 . 1 1 38 38 ALA HB2 H 1 1.540 0.03 . 1 . . . . 38 ALA HB1 . 17226 1 318 . 1 1 38 38 ALA HB3 H 1 1.540 0.03 . 1 . . . . 38 ALA HB1 . 17226 1 319 . 1 1 38 38 ALA C C 13 176.263 0.30 . 1 . . . . 38 ALA C . 17226 1 320 . 1 1 38 38 ALA CA C 13 52.044 0.30 . 1 . . . . 38 ALA CA . 17226 1 321 . 1 1 38 38 ALA CB C 13 19.015 0.30 . 1 . . . . 38 ALA CB . 17226 1 322 . 1 1 38 38 ALA N N 15 119.429 0.3 . 1 . . . . 38 ALA N . 17226 1 323 . 1 1 39 39 ASP H H 1 7.499 0.03 . 1 . . . . 39 ASP HN . 17226 1 324 . 1 1 39 39 ASP HA H 1 4.732 0.03 . 1 . . . . 39 ASP HA . 17226 1 325 . 1 1 39 39 ASP HB2 H 1 3.521 0.03 . 2 . . . . 39 ASP HB1 . 17226 1 326 . 1 1 39 39 ASP HB3 H 1 2.598 0.03 . 2 . . . . 39 ASP HB2 . 17226 1 327 . 1 1 39 39 ASP C C 13 177.302 0.30 . 1 . . . . 39 ASP C . 17226 1 328 . 1 1 39 39 ASP CA C 13 53.444 0.30 . 1 . . . . 39 ASP CA . 17226 1 329 . 1 1 39 39 ASP CB C 13 42.000 0.30 . 1 . . . . 39 ASP CB . 17226 1 330 . 1 1 39 39 ASP N N 15 121.640 0.3 . 1 . . . . 39 ASP N . 17226 1 331 . 1 1 40 40 ASP H H 1 9.049 0.03 . 1 . . . . 40 ASP HN . 17226 1 332 . 1 1 40 40 ASP HA H 1 4.491 0.03 . 1 . . . . 40 ASP HA . 17226 1 333 . 1 1 40 40 ASP HB2 H 1 2.812 0.03 . 2 . . . . 40 ASP HB1 . 17226 1 334 . 1 1 40 40 ASP C C 13 178.506 0.30 . 1 . . . . 40 ASP C . 17226 1 335 . 1 1 40 40 ASP CA C 13 56.723 0.30 . 1 . . . . 40 ASP CA . 17226 1 336 . 1 1 40 40 ASP CB C 13 40.414 0.30 . 1 . . . . 40 ASP CB . 17226 1 337 . 1 1 40 40 ASP N N 15 128.005 0.3 . 1 . . . . 40 ASP N . 17226 1 338 . 1 1 41 41 GLN H H 1 9.190 0.03 . 1 . . . . 41 GLN HN . 17226 1 339 . 1 1 41 41 GLN HA H 1 4.315 0.03 . 1 . . . . 41 GLN HA . 17226 1 340 . 1 1 41 41 GLN HB2 H 1 2.110 0.03 . 2 . . . . 41 GLN HB1 . 17226 1 341 . 1 1 41 41 GLN C C 13 176.655 0.30 . 1 . . . . 41 GLN C . 17226 1 342 . 1 1 41 41 GLN CA C 13 57.560 0.30 . 1 . . . . 41 GLN CA . 17226 1 343 . 1 1 41 41 GLN CB C 13 30.547 0.30 . 1 . . . . 41 GLN CB . 17226 1 344 . 1 1 41 41 GLN N N 15 117.696 0.3 . 1 . . . . 41 GLN N . 17226 1 345 . 1 1 42 42 LEU H H 1 7.920 0.03 . 1 . . . . 42 LEU HN . 17226 1 346 . 1 1 42 42 LEU HA H 1 4.730 0.03 . 1 . . . . 42 LEU HA . 17226 1 347 . 1 1 42 42 LEU HB2 H 1 2.416 0.03 . 2 . . . . 42 LEU HB1 . 17226 1 348 . 1 1 42 42 LEU HB3 H 1 1.315 0.03 . 2 . . . . 42 LEU HB2 . 17226 1 349 . 1 1 42 42 LEU C C 13 178.740 0.30 . 1 . . . . 42 LEU C . 17226 1 350 . 1 1 42 42 LEU CA C 13 54.417 0.30 . 1 . . . . 42 LEU CA . 17226 1 351 . 1 1 42 42 LEU CB C 13 45.811 0.30 . 1 . . . . 42 LEU CB . 17226 1 352 . 1 1 42 42 LEU N N 15 116.240 0.3 . 1 . . . . 42 LEU N . 17226 1 353 . 1 1 43 43 SER H H 1 8.558 0.03 . 1 . . . . 43 SER HN . 17226 1 354 . 1 1 43 43 SER HA H 1 4.063 0.03 . 1 . . . . 43 SER HA . 17226 1 355 . 1 1 43 43 SER C C 13 177.789 0.30 . 1 . . . . 43 SER C . 17226 1 356 . 1 1 43 43 SER CA C 13 62.955 0.30 . 1 . . . . 43 SER CA . 17226 1 357 . 1 1 43 43 SER CB C 13 63.810 0.30 . 1 . . . . 43 SER CB . 17226 1 358 . 1 1 43 43 SER N N 15 114.538 0.3 . 1 . . . . 43 SER N . 17226 1 359 . 1 1 44 44 ALA H H 1 8.689 0.03 . 1 . . . . 44 ALA HN . 17226 1 360 . 1 1 44 44 ALA HA H 1 4.100 0.03 . 1 . . . . 44 ALA HA . 17226 1 361 . 1 1 44 44 ALA HB1 H 1 1.134 0.03 . 1 . . . . 44 ALA HB1 . 17226 1 362 . 1 1 44 44 ALA HB2 H 1 1.134 0.03 . 1 . . . . 44 ALA HB1 . 17226 1 363 . 1 1 44 44 ALA HB3 H 1 1.134 0.03 . 1 . . . . 44 ALA HB1 . 17226 1 364 . 1 1 44 44 ALA C C 13 180.343 0.30 . 1 . . . . 44 ALA C . 17226 1 365 . 1 1 44 44 ALA CA C 13 54.766 0.30 . 1 . . . . 44 ALA CA . 17226 1 366 . 1 1 44 44 ALA CB C 13 17.956 0.30 . 1 . . . . 44 ALA CB . 17226 1 367 . 1 1 44 44 ALA N N 15 123.278 0.3 . 1 . . . . 44 ALA N . 17226 1 368 . 1 1 45 45 PHE H H 1 7.587 0.03 . 1 . . . . 45 PHE HN . 17226 1 369 . 1 1 45 45 PHE HA H 1 3.559 0.03 . 1 . . . . 45 PHE HA . 17226 1 370 . 1 1 45 45 PHE HB2 H 1 2.160 0.03 . 2 . . . . 45 PHE HB1 . 17226 1 371 . 1 1 45 45 PHE HB3 H 1 1.479 0.03 . 2 . . . . 45 PHE HB2 . 17226 1 372 . 1 1 45 45 PHE C C 13 176.310 0.30 . 1 . . . . 45 PHE C . 17226 1 373 . 1 1 45 45 PHE CA C 13 61.251 0.30 . 1 . . . . 45 PHE CA . 17226 1 374 . 1 1 45 45 PHE CB C 13 37.568 0.30 . 1 . . . . 45 PHE CB . 17226 1 375 . 1 1 45 45 PHE N N 15 113.687 0.3 . 1 . . . . 45 PHE N . 17226 1 376 . 1 1 46 46 PHE H H 1 7.382 0.03 . 1 . . . . 46 PHE HN . 17226 1 377 . 1 1 46 46 PHE HA H 1 4.567 0.03 . 1 . . . . 46 PHE HA . 17226 1 378 . 1 1 46 46 PHE HB2 H 1 3.938 0.03 . 2 . . . . 46 PHE HB1 . 17226 1 379 . 1 1 46 46 PHE HB3 H 1 2.812 0.03 . 2 . . . . 46 PHE HB2 . 17226 1 380 . 1 1 46 46 PHE C C 13 176.865 0.30 . 1 . . . . 46 PHE C . 17226 1 381 . 1 1 46 46 PHE CA C 13 57.846 0.30 . 1 . . . . 46 PHE CA . 17226 1 382 . 1 1 46 46 PHE CB C 13 40.246 0.30 . 1 . . . . 46 PHE CB . 17226 1 383 . 1 1 46 46 PHE N N 15 114.515 0.3 . 1 . . . . 46 PHE N . 17226 1 384 . 1 1 47 47 SER H H 1 7.203 0.03 . 1 . . . . 47 SER HN . 17226 1 385 . 1 1 47 47 SER HA H 1 4.237 0.03 . 1 . . . . 47 SER HA . 17226 1 386 . 1 1 47 47 SER HB2 H 1 3.898 0.03 . 2 . . . . 47 SER HB1 . 17226 1 387 . 1 1 47 47 SER C C 13 175.356 0.30 . 1 . . . . 47 SER C . 17226 1 388 . 1 1 47 47 SER CA C 13 61.035 0.30 . 1 . . . . 47 SER CA . 17226 1 389 . 1 1 47 47 SER CB C 13 62.972 0.30 . 1 . . . . 47 SER CB . 17226 1 390 . 1 1 47 47 SER N N 15 116.578 0.3 . 1 . . . . 47 SER N . 17226 1 391 . 1 1 48 48 GLY H H 1 8.700 0.03 . 1 . . . . 48 GLY HN . 17226 1 392 . 1 1 48 48 GLY HA2 H 1 4.224 0.03 . 2 . . . . 48 GLY HA1 . 17226 1 393 . 1 1 48 48 GLY HA3 H 1 3.691 0.03 . 2 . . . . 48 GLY HA2 . 17226 1 394 . 1 1 48 48 GLY C C 13 174.353 0.30 . 1 . . . . 48 GLY C . 17226 1 395 . 1 1 48 48 GLY CA C 13 44.840 0.30 . 1 . . . . 48 GLY CA . 17226 1 396 . 1 1 48 48 GLY N N 15 112.319 0.3 . 1 . . . . 48 GLY N . 17226 1 397 . 1 1 49 49 THR H H 1 7.534 0.03 . 1 . . . . 49 THR HN . 17226 1 398 . 1 1 49 49 THR HB H 1 4.160 0.03 . 1 . . . . 49 THR HB . 17226 1 399 . 1 1 49 49 THR C C 13 173.720 0.30 . 1 . . . . 49 THR C . 17226 1 400 . 1 1 49 49 THR CA C 13 63.776 0.30 . 1 . . . . 49 THR CA . 17226 1 401 . 1 1 49 49 THR CB C 13 70.520 0.30 . 1 . . . . 49 THR CB . 17226 1 402 . 1 1 49 49 THR N N 15 120.436 0.3 . 1 . . . . 49 THR N . 17226 1 403 . 1 1 50 50 ASN H H 1 8.530 0.03 . 1 . . . . 50 ASN HN . 17226 1 404 . 1 1 50 50 ASN HA H 1 4.673 0.03 . 1 . . . . 50 ASN HA . 17226 1 405 . 1 1 50 50 ASN HB2 H 1 2.846 0.03 . 2 . . . . 50 ASN HB1 . 17226 1 406 . 1 1 50 50 ASN C C 13 175.080 0.30 . 1 . . . . 50 ASN C . 17226 1 407 . 1 1 50 50 ASN CA C 13 52.220 0.30 . 1 . . . . 50 ASN CA . 17226 1 408 . 1 1 50 50 ASN CB C 13 36.920 0.30 . 1 . . . . 50 ASN CB . 17226 1 409 . 1 1 50 50 ASN N N 15 123.760 0.3 . 1 . . . . 50 ASN N . 17226 1 410 . 1 1 51 51 MET H H 1 8.820 0.03 . 1 . . . . 51 MET HN . 17226 1 411 . 1 1 51 51 MET HA H 1 4.724 0.03 . 1 . . . . 51 MET HA . 17226 1 412 . 1 1 51 51 MET HB2 H 1 2.252 0.03 . 2 . . . . 51 MET HB1 . 17226 1 413 . 1 1 51 51 MET C C 13 178.870 0.30 . 1 . . . . 51 MET C . 17226 1 414 . 1 1 51 51 MET CA C 13 55.780 0.30 . 1 . . . . 51 MET CA . 17226 1 415 . 1 1 51 51 MET CB C 13 29.110 0.30 . 1 . . . . 51 MET CB . 17226 1 416 . 1 1 51 51 MET N N 15 127.510 0.3 . 1 . . . . 51 MET N . 17226 1 417 . 1 1 52 52 SER H H 1 8.480 0.03 . 1 . . . . 52 SER HN . 17226 1 418 . 1 1 52 52 SER HA H 1 4.320 0.03 . 1 . . . . 52 SER HA . 17226 1 419 . 1 1 52 52 SER C C 13 177.270 0.30 . 1 . . . . 52 SER C . 17226 1 420 . 1 1 52 52 SER CA C 13 62.250 0.30 . 1 . . . . 52 SER CA . 17226 1 421 . 1 1 52 52 SER N N 15 116.300 0.3 . 1 . . . . 52 SER N . 17226 1 422 . 1 1 53 53 ARG H H 1 7.420 0.03 . 1 . . . . 53 ARG HN . 17226 1 423 . 1 1 53 53 ARG HA H 1 3.930 0.03 . 1 . . . . 53 ARG HA . 17226 1 424 . 1 1 53 53 ARG HB2 H 1 1.570 0.03 . 2 . . . . 53 ARG HB1 . 17226 1 425 . 1 1 53 53 ARG HD2 H 1 2.995 0.03 . 2 . . . . 53 ARG HD1 . 17226 1 426 . 1 1 53 53 ARG CA C 13 58.270 0.30 . 1 . . . . 53 ARG CA . 17226 1 427 . 1 1 53 53 ARG CB C 13 29.720 0.30 . 1 . . . . 53 ARG CB . 17226 1 428 . 1 1 53 53 ARG CD C 13 42.768 0.30 . 1 . . . . 53 ARG CD . 17226 1 429 . 1 1 53 53 ARG CG C 13 26.795 0.30 . 1 . . . . 53 ARG CG . 17226 1 430 . 1 1 53 53 ARG N N 15 122.930 0.3 . 1 . . . . 53 ARG N . 17226 1 431 . 1 1 54 54 LEU H H 1 7.850 0.03 . 1 . . . . 54 LEU HN . 17226 1 432 . 1 1 54 54 LEU HA H 1 3.494 0.03 . 1 . . . . 54 LEU HA . 17226 1 433 . 1 1 54 54 LEU HB2 H 1 2.123 0.03 . 2 . . . . 54 LEU HB1 . 17226 1 434 . 1 1 54 54 LEU C C 13 178.040 0.30 . 1 . . . . 54 LEU C . 17226 1 435 . 1 1 54 54 LEU CA C 13 58.500 0.30 . 1 . . . . 54 LEU CA . 17226 1 436 . 1 1 54 54 LEU CB C 13 42.070 0.30 . 1 . . . . 54 LEU CB . 17226 1 437 . 1 1 54 54 LEU N N 15 121.440 0.3 . 1 . . . . 54 LEU N . 17226 1 438 . 1 1 55 55 LYS H H 1 8.900 0.03 . 1 . . . . 55 LYS HN . 17226 1 439 . 1 1 55 55 LYS HA H 1 4.667 0.03 . 1 . . . . 55 LYS HA . 17226 1 440 . 1 1 55 55 LYS HB2 H 1 2.310 0.03 . 2 . . . . 55 LYS HB1 . 17226 1 441 . 1 1 55 55 LYS C C 13 178.950 0.30 . 1 . . . . 55 LYS C . 17226 1 442 . 1 1 55 55 LYS CA C 13 61.800 0.30 . 1 . . . . 55 LYS CA . 17226 1 443 . 1 1 55 55 LYS CB C 13 32.330 0.30 . 1 . . . . 55 LYS CB . 17226 1 444 . 1 1 55 55 LYS N N 15 117.210 0.3 . 1 . . . . 55 LYS N . 17226 1 445 . 1 1 56 56 GLY H H 1 7.550 0.03 . 1 . . . . 56 GLY HN . 17226 1 446 . 1 1 56 56 GLY HA2 H 1 4.010 0.03 . 2 . . . . 56 GLY HA1 . 17226 1 447 . 1 1 56 56 GLY C C 13 177.390 0.30 . 1 . . . . 56 GLY C . 17226 1 448 . 1 1 56 56 GLY CA C 13 47.490 0.30 . 1 . . . . 56 GLY CA . 17226 1 449 . 1 1 56 56 GLY N N 15 103.060 0.3 . 1 . . . . 56 GLY N . 17226 1 450 . 1 1 57 57 LYS H H 1 7.810 0.03 . 1 . . . . 57 LYS HN . 17226 1 451 . 1 1 57 57 LYS HA H 1 4.006 0.03 . 1 . . . . 57 LYS HA . 17226 1 452 . 1 1 57 57 LYS HB2 H 1 1.518 0.03 . 2 . . . . 57 LYS HB1 . 17226 1 453 . 1 1 57 57 LYS HB3 H 1 1.099 0.03 . 2 . . . . 57 LYS HB2 . 17226 1 454 . 1 1 57 57 LYS C C 13 177.590 0.30 . 1 . . . . 57 LYS C . 17226 1 455 . 1 1 57 57 LYS CA C 13 56.900 0.30 . 1 . . . . 57 LYS CA . 17226 1 456 . 1 1 57 57 LYS CB C 13 31.760 0.30 . 1 . . . . 57 LYS CB . 17226 1 457 . 1 1 57 57 LYS CD C 13 27.240 0.30 . 1 . . . . 57 LYS CD . 17226 1 458 . 1 1 57 57 LYS CG C 13 23.500 0.30 . 1 . . . . 57 LYS CG . 17226 1 459 . 1 1 57 57 LYS N N 15 121.270 0.3 . 1 . . . . 57 LYS N . 17226 1 460 . 1 1 58 58 GLN H H 1 9.284 0.03 . 1 . . . . 58 GLN HN . 17226 1 461 . 1 1 58 58 GLN HA H 1 4.653 0.03 . 1 . . . . 58 GLN HA . 17226 1 462 . 1 1 58 58 GLN HB2 H 1 3.547 0.03 . 2 . . . . 58 GLN HB1 . 17226 1 463 . 1 1 58 58 GLN HB3 H 1 3.273 0.03 . 2 . . . . 58 GLN HB2 . 17226 1 464 . 1 1 58 58 GLN HG2 H 1 3.891 0.03 . 2 . . . . 58 GLN HG1 . 17226 1 465 . 1 1 58 58 GLN HG3 H 1 2.887 0.03 . 2 . . . . 58 GLN HG2 . 17226 1 466 . 1 1 58 58 GLN C C 13 179.106 0.30 . 1 . . . . 58 GLN C . 17226 1 467 . 1 1 58 58 GLN CA C 13 57.330 0.30 . 1 . . . . 58 GLN CA . 17226 1 468 . 1 1 58 58 GLN CB C 13 31.899 0.30 . 1 . . . . 58 GLN CB . 17226 1 469 . 1 1 58 58 GLN CG C 13 34.590 0.30 . 1 . . . . 58 GLN CG . 17226 1 470 . 1 1 58 58 GLN N N 15 122.376 0.3 . 1 . . . . 58 GLN N . 17226 1 471 . 1 1 59 59 VAL H H 1 8.826 0.03 . 1 . . . . 59 VAL HN . 17226 1 472 . 1 1 59 59 VAL HA H 1 3.755 0.03 . 1 . . . . 59 VAL HA . 17226 1 473 . 1 1 59 59 VAL HB H 1 2.444 0.03 . 1 . . . . 59 VAL HB . 17226 1 474 . 1 1 59 59 VAL HG11 H 1 1.416 0.03 . 2 . . . . 59 VAL HG11 . 17226 1 475 . 1 1 59 59 VAL HG12 H 1 1.416 0.03 . 2 . . . . 59 VAL HG11 . 17226 1 476 . 1 1 59 59 VAL HG13 H 1 1.416 0.03 . 2 . . . . 59 VAL HG11 . 17226 1 477 . 1 1 59 59 VAL HG21 H 1 0.972 0.03 . 2 . . . . 59 VAL HG21 . 17226 1 478 . 1 1 59 59 VAL HG22 H 1 0.972 0.03 . 2 . . . . 59 VAL HG21 . 17226 1 479 . 1 1 59 59 VAL HG23 H 1 0.972 0.03 . 2 . . . . 59 VAL HG21 . 17226 1 480 . 1 1 59 59 VAL C C 13 177.526 0.30 . 1 . . . . 59 VAL C . 17226 1 481 . 1 1 59 59 VAL CA C 13 67.340 0.30 . 1 . . . . 59 VAL CA . 17226 1 482 . 1 1 59 59 VAL CB C 13 31.593 0.30 . 1 . . . . 59 VAL CB . 17226 1 483 . 1 1 59 59 VAL CG1 C 13 24.362 0.30 . 1 . . . . 59 VAL CG1 . 17226 1 484 . 1 1 59 59 VAL CG2 C 13 21.388 0.30 . 1 . . . . 59 VAL CG2 . 17226 1 485 . 1 1 59 59 VAL N N 15 120.210 0.3 . 1 . . . . 59 VAL N . 17226 1 486 . 1 1 60 60 GLU H H 1 7.504 0.03 . 1 . . . . 60 GLU HN . 17226 1 487 . 1 1 60 60 GLU HA H 1 4.001 0.03 . 1 . . . . 60 GLU HA . 17226 1 488 . 1 1 60 60 GLU HB2 H 1 2.360 0.03 . 2 . . . . 60 GLU HB1 . 17226 1 489 . 1 1 60 60 GLU HG2 H 1 2.609 0.03 . 2 . . . . 60 GLU HG1 . 17226 1 490 . 1 1 60 60 GLU HG3 H 1 2.324 0.03 . 2 . . . . 60 GLU HG2 . 17226 1 491 . 1 1 60 60 GLU C C 13 179.657 0.30 . 1 . . . . 60 GLU C . 17226 1 492 . 1 1 60 60 GLU CA C 13 59.337 0.30 . 1 . . . . 60 GLU CA . 17226 1 493 . 1 1 60 60 GLU CB C 13 30.899 0.30 . 1 . . . . 60 GLU CB . 17226 1 494 . 1 1 60 60 GLU CG C 13 36.760 0.30 . 1 . . . . 60 GLU CG . 17226 1 495 . 1 1 60 60 GLU N N 15 117.090 0.3 . 1 . . . . 60 GLU N . 17226 1 496 . 1 1 61 61 PHE H H 1 8.997 0.03 . 1 . . . . 61 PHE HN . 17226 1 497 . 1 1 61 61 PHE HA H 1 3.140 0.03 . 1 . . . . 61 PHE HA . 17226 1 498 . 1 1 61 61 PHE HB2 H 1 2.882 0.03 . 2 . . . . 61 PHE HB1 . 17226 1 499 . 1 1 61 61 PHE HB3 H 1 2.064 0.03 . 2 . . . . 61 PHE HB2 . 17226 1 500 . 1 1 61 61 PHE C C 13 178.066 0.30 . 1 . . . . 61 PHE C . 17226 1 501 . 1 1 61 61 PHE CA C 13 62.693 0.30 . 1 . . . . 61 PHE CA . 17226 1 502 . 1 1 61 61 PHE CB C 13 38.200 0.30 . 1 . . . . 61 PHE CB . 17226 1 503 . 1 1 61 61 PHE N N 15 121.370 0.3 . 1 . . . . 61 PHE N . 17226 1 504 . 1 1 62 62 PHE H H 1 9.398 0.03 . 1 . . . . 62 PHE HN . 17226 1 505 . 1 1 62 62 PHE HA H 1 3.829 0.03 . 1 . . . . 62 PHE HA . 17226 1 506 . 1 1 62 62 PHE HB2 H 1 3.321 0.03 . 2 . . . . 62 PHE HB1 . 17226 1 507 . 1 1 62 62 PHE HB3 H 1 2.759 0.03 . 2 . . . . 62 PHE HB2 . 17226 1 508 . 1 1 62 62 PHE C C 13 177.780 0.30 . 1 . . . . 62 PHE C . 17226 1 509 . 1 1 62 62 PHE CA C 13 61.475 0.30 . 1 . . . . 62 PHE CA . 17226 1 510 . 1 1 62 62 PHE CB C 13 39.047 0.30 . 1 . . . . 62 PHE CB . 17226 1 511 . 1 1 62 62 PHE N N 15 119.641 0.3 . 1 . . . . 62 PHE N . 17226 1 512 . 1 1 63 63 ALA H H 1 8.937 0.03 . 1 . . . . 63 ALA HN . 17226 1 513 . 1 1 63 63 ALA HA H 1 3.940 0.03 . 1 . . . . 63 ALA HA . 17226 1 514 . 1 1 63 63 ALA HB1 H 1 1.545 0.03 . 1 . . . . 63 ALA HB1 . 17226 1 515 . 1 1 63 63 ALA HB2 H 1 1.545 0.03 . 1 . . . . 63 ALA HB1 . 17226 1 516 . 1 1 63 63 ALA HB3 H 1 1.545 0.03 . 1 . . . . 63 ALA HB1 . 17226 1 517 . 1 1 63 63 ALA C C 13 179.070 0.30 . 1 . . . . 63 ALA C . 17226 1 518 . 1 1 63 63 ALA CA C 13 56.444 0.30 . 1 . . . . 63 ALA CA . 17226 1 519 . 1 1 63 63 ALA CB C 13 18.423 0.30 . 1 . . . . 63 ALA CB . 17226 1 520 . 1 1 63 63 ALA N N 15 119.523 0.3 . 1 . . . . 63 ALA N . 17226 1 521 . 1 1 64 64 ALA H H 1 7.417 0.03 . 1 . . . . 64 ALA HN . 17226 1 522 . 1 1 64 64 ALA HA H 1 3.842 0.03 . 1 . . . . 64 ALA HA . 17226 1 523 . 1 1 64 64 ALA HB1 H 1 1.340 0.03 . 1 . . . . 64 ALA HB1 . 17226 1 524 . 1 1 64 64 ALA HB2 H 1 1.340 0.03 . 1 . . . . 64 ALA HB1 . 17226 1 525 . 1 1 64 64 ALA HB3 H 1 1.340 0.03 . 1 . . . . 64 ALA HB1 . 17226 1 526 . 1 1 64 64 ALA C C 13 181.560 0.30 . 1 . . . . 64 ALA C . 17226 1 527 . 1 1 64 64 ALA CA C 13 54.776 0.30 . 1 . . . . 64 ALA CA . 17226 1 528 . 1 1 64 64 ALA CB C 13 18.711 0.30 . 1 . . . . 64 ALA CB . 17226 1 529 . 1 1 64 64 ALA N N 15 118.303 0.3 . 1 . . . . 64 ALA N . 17226 1 530 . 1 1 65 65 ALA H H 1 8.360 0.03 . 1 . . . . 65 ALA HN . 17226 1 531 . 1 1 65 65 ALA HA H 1 3.754 0.03 . 1 . . . . 65 ALA HA . 17226 1 532 . 1 1 65 65 ALA HB1 H 1 0.792 0.03 . 1 . . . . 65 ALA HB1 . 17226 1 533 . 1 1 65 65 ALA HB2 H 1 0.792 0.03 . 1 . . . . 65 ALA HB1 . 17226 1 534 . 1 1 65 65 ALA HB3 H 1 0.792 0.03 . 1 . . . . 65 ALA HB1 . 17226 1 535 . 1 1 65 65 ALA C C 13 179.032 0.30 . 1 . . . . 65 ALA C . 17226 1 536 . 1 1 65 65 ALA CA C 13 54.250 0.30 . 1 . . . . 65 ALA CA . 17226 1 537 . 1 1 65 65 ALA CB C 13 16.881 0.30 . 1 . . . . 65 ALA CB . 17226 1 538 . 1 1 65 65 ALA N N 15 121.847 0.3 . 1 . . . . 65 ALA N . 17226 1 539 . 1 1 66 66 LEU H H 1 7.699 0.03 . 1 . . . . 66 LEU HN . 17226 1 540 . 1 1 66 66 LEU HA H 1 4.355 0.03 . 1 . . . . 66 LEU HA . 17226 1 541 . 1 1 66 66 LEU HB2 H 1 1.775 0.03 . 2 . . . . 66 LEU HB1 . 17226 1 542 . 1 1 66 66 LEU HB3 H 1 1.701 0.03 . 2 . . . . 66 LEU HB2 . 17226 1 543 . 1 1 66 66 LEU C C 13 175.673 0.30 . 1 . . . . 66 LEU C . 17226 1 544 . 1 1 66 66 LEU CA C 13 54.036 0.30 . 1 . . . . 66 LEU CA . 17226 1 545 . 1 1 66 66 LEU CB C 13 39.825 0.30 . 1 . . . . 66 LEU CB . 17226 1 546 . 1 1 66 66 LEU N N 15 113.329 0.3 . 1 . . . . 66 LEU N . 17226 1 547 . 1 1 67 67 GLY H H 1 7.552 0.03 . 1 . . . . 67 GLY HN . 17226 1 548 . 1 1 67 67 GLY HA2 H 1 4.384 0.03 . 2 . . . . 67 GLY HA1 . 17226 1 549 . 1 1 67 67 GLY HA3 H 1 3.782 0.03 . 2 . . . . 67 GLY HA2 . 17226 1 550 . 1 1 67 67 GLY C C 13 175.260 0.30 . 1 . . . . 67 GLY C . 17226 1 551 . 1 1 67 67 GLY CA C 13 45.579 0.30 . 1 . . . . 67 GLY CA . 17226 1 552 . 1 1 67 67 GLY N N 15 106.148 0.3 . 1 . . . . 67 GLY N . 17226 1 553 . 1 1 68 68 GLY H H 1 8.628 0.03 . 1 . . . . 68 GLY HN . 17226 1 554 . 1 1 68 68 GLY CA C 13 43.600 0.30 . 1 . . . . 68 GLY CA . 17226 1 555 . 1 1 68 68 GLY N N 15 110.440 0.3 . 1 . . . . 68 GLY N . 17226 1 556 . 1 1 69 69 PRO HA H 1 4.287 0.03 . 1 . . . . 69 PRO HA . 17226 1 557 . 1 1 69 69 PRO C C 13 177.070 0.30 . 1 . . . . 69 PRO C . 17226 1 558 . 1 1 69 69 PRO CA C 13 64.110 0.30 . 1 . . . . 69 PRO CA . 17226 1 559 . 1 1 69 69 PRO CB C 13 32.480 0.30 . 1 . . . . 69 PRO CB . 17226 1 560 . 1 1 70 70 GLU H H 1 8.567 0.03 . 1 . . . . 70 GLU HN . 17226 1 561 . 1 1 70 70 GLU HB2 H 1 1.950 0.03 . 2 . . . . 70 GLU HB1 . 17226 1 562 . 1 1 70 70 GLU HB3 H 1 1.790 0.03 . 2 . . . . 70 GLU HB2 . 17226 1 563 . 1 1 70 70 GLU CA C 13 53.390 0.30 . 1 . . . . 70 GLU CA . 17226 1 564 . 1 1 70 70 GLU CB C 13 29.950 0.30 . 1 . . . . 70 GLU CB . 17226 1 565 . 1 1 70 70 GLU N N 15 121.675 0.3 . 1 . . . . 70 GLU N . 17226 1 566 . 1 1 71 71 PRO HA H 1 4.327 0.03 . 1 . . . . 71 PRO HA . 17226 1 567 . 1 1 71 71 PRO C C 13 175.710 0.30 . 1 . . . . 71 PRO C . 17226 1 568 . 1 1 71 71 PRO CA C 13 62.050 0.30 . 1 . . . . 71 PRO CA . 17226 1 569 . 1 1 71 71 PRO CB C 13 32.260 0.30 . 1 . . . . 71 PRO CB . 17226 1 570 . 1 1 71 71 PRO CG C 13 26.826 0.30 . 1 . . . . 71 PRO CG . 17226 1 571 . 1 1 72 72 TYR H H 1 8.445 0.03 . 1 . . . . 72 TYR HN . 17226 1 572 . 1 1 72 72 TYR HA H 1 4.577 0.03 . 1 . . . . 72 TYR HA . 17226 1 573 . 1 1 72 72 TYR HB2 H 1 2.600 0.03 . 2 . . . . 72 TYR HB1 . 17226 1 574 . 1 1 72 72 TYR C C 13 176.700 0.30 . 1 . . . . 72 TYR C . 17226 1 575 . 1 1 72 72 TYR CA C 13 57.220 0.30 . 1 . . . . 72 TYR CA . 17226 1 576 . 1 1 72 72 TYR CB C 13 38.730 0.30 . 1 . . . . 72 TYR CB . 17226 1 577 . 1 1 72 72 TYR N N 15 120.196 0.3 . 1 . . . . 72 TYR N . 17226 1 578 . 1 1 73 73 THR H H 1 8.460 0.03 . 1 . . . . 73 THR HN . 17226 1 579 . 1 1 73 73 THR HB H 1 4.170 0.03 . 1 . . . . 73 THR HB . 17226 1 580 . 1 1 73 73 THR CA C 13 61.080 0.30 . 1 . . . . 73 THR CA . 17226 1 581 . 1 1 73 73 THR CB C 13 69.320 0.30 . 1 . . . . 73 THR CB . 17226 1 582 . 1 1 73 73 THR N N 15 119.720 0.3 . 1 . . . . 73 THR N . 17226 1 583 . 1 1 74 74 GLY HA2 H 1 3.701 0.03 . 2 . . . . 74 GLY HA1 . 17226 1 584 . 1 1 74 74 GLY HA3 H 1 2.988 0.03 . 2 . . . . 74 GLY HA2 . 17226 1 585 . 1 1 74 74 GLY C C 13 171.243 0.30 . 1 . . . . 74 GLY C . 17226 1 586 . 1 1 74 74 GLY CA C 13 43.919 0.30 . 1 . . . . 74 GLY CA . 17226 1 587 . 1 1 75 75 ALA H H 1 8.510 0.03 . 1 . . . . 75 ALA HN . 17226 1 588 . 1 1 75 75 ALA HA H 1 4.330 0.03 . 1 . . . . 75 ALA HA . 17226 1 589 . 1 1 75 75 ALA HB1 H 1 0.876 0.03 . 1 . . . . 75 ALA HB1 . 17226 1 590 . 1 1 75 75 ALA HB2 H 1 0.876 0.03 . 1 . . . . 75 ALA HB1 . 17226 1 591 . 1 1 75 75 ALA HB3 H 1 0.876 0.03 . 1 . . . . 75 ALA HB1 . 17226 1 592 . 1 1 75 75 ALA CA C 13 50.175 0.30 . 1 . . . . 75 ALA CA . 17226 1 593 . 1 1 75 75 ALA CB C 13 17.987 0.30 . 1 . . . . 75 ALA CB . 17226 1 594 . 1 1 75 75 ALA N N 15 123.104 0.3 . 1 . . . . 75 ALA N . 17226 1 595 . 1 1 76 76 PRO HA H 1 4.776 0.03 . 1 . . . . 76 PRO HA . 17226 1 596 . 1 1 76 76 PRO HB2 H 1 2.831 0.03 . 2 . . . . 76 PRO HB1 . 17226 1 597 . 1 1 76 76 PRO HB3 H 1 2.390 0.03 . 2 . . . . 76 PRO HB2 . 17226 1 598 . 1 1 76 76 PRO C C 13 177.810 0.30 . 1 . . . . 76 PRO C . 17226 1 599 . 1 1 76 76 PRO CA C 13 62.760 0.30 . 1 . . . . 76 PRO CA . 17226 1 600 . 1 1 76 76 PRO CB C 13 32.730 0.30 . 1 . . . . 76 PRO CB . 17226 1 601 . 1 1 76 76 PRO CG C 13 28.200 0.30 . 1 . . . . 76 PRO CG . 17226 1 602 . 1 1 77 77 MET H H 1 9.506 0.03 . 1 . . . . 77 MET HN . 17226 1 603 . 1 1 77 77 MET HA H 1 6.452 0.03 . 1 . . . . 77 MET HA . 17226 1 604 . 1 1 77 77 MET HB2 H 1 3.698 0.03 . 2 . . . . 77 MET HB1 . 17226 1 605 . 1 1 77 77 MET HB3 H 1 3.395 0.03 . 2 . . . . 77 MET HB2 . 17226 1 606 . 1 1 77 77 MET C C 13 182.800 0.30 . 1 . . . . 77 MET C . 17226 1 607 . 1 1 77 77 MET CA C 13 59.000 0.30 . 1 . . . . 77 MET CA . 17226 1 608 . 1 1 77 77 MET CB C 13 37.940 0.30 . 1 . . . . 77 MET CB . 17226 1 609 . 1 1 77 77 MET CG C 13 33.500 0.30 . 1 . . . . 77 MET CG . 17226 1 610 . 1 1 77 77 MET N N 15 120.018 0.3 . 1 . . . . 77 MET N . 17226 1 611 . 1 1 78 78 LYS H H 1 10.473 0.03 . 1 . . . . 78 LYS HN . 17226 1 612 . 1 1 78 78 LYS HA H 1 6.141 0.03 . 1 . . . . 78 LYS HA . 17226 1 613 . 1 1 78 78 LYS HB2 H 1 2.628 0.03 . 2 . . . . 78 LYS HB1 . 17226 1 614 . 1 1 78 78 LYS C C 13 178.934 0.30 . 1 . . . . 78 LYS C . 17226 1 615 . 1 1 78 78 LYS CA C 13 60.470 0.30 . 1 . . . . 78 LYS CA . 17226 1 616 . 1 1 78 78 LYS CB C 13 33.520 0.30 . 1 . . . . 78 LYS CB . 17226 1 617 . 1 1 78 78 LYS CD C 13 30.140 0.30 . 1 . . . . 78 LYS CD . 17226 1 618 . 1 1 78 78 LYS CE C 13 42.637 0.30 . 1 . . . . 78 LYS CE . 17226 1 619 . 1 1 78 78 LYS CG C 13 25.541 0.30 . 1 . . . . 78 LYS CG . 17226 1 620 . 1 1 78 78 LYS N N 15 122.151 0.3 . 1 . . . . 78 LYS N . 17226 1 621 . 1 1 79 79 GLN H H 1 7.920 0.03 . 1 . . . . 79 GLN HN . 17226 1 622 . 1 1 79 79 GLN HA H 1 4.746 0.03 . 1 . . . . 79 GLN HA . 17226 1 623 . 1 1 79 79 GLN HB2 H 1 2.580 0.03 . 2 . . . . 79 GLN HB1 . 17226 1 624 . 1 1 79 79 GLN HB3 H 1 2.440 0.03 . 2 . . . . 79 GLN HB2 . 17226 1 625 . 1 1 79 79 GLN HG2 H 1 2.715 0.03 . 2 . . . . 79 GLN HG1 . 17226 1 626 . 1 1 79 79 GLN HG3 H 1 2.628 0.03 . 2 . . . . 79 GLN HG2 . 17226 1 627 . 1 1 79 79 GLN C C 13 179.540 0.30 . 1 . . . . 79 GLN C . 17226 1 628 . 1 1 79 79 GLN CA C 13 59.750 0.30 . 1 . . . . 79 GLN CA . 17226 1 629 . 1 1 79 79 GLN CB C 13 29.820 0.30 . 1 . . . . 79 GLN CB . 17226 1 630 . 1 1 79 79 GLN CG C 13 34.268 0.30 . 1 . . . . 79 GLN CG . 17226 1 631 . 1 1 79 79 GLN N N 15 117.970 0.3 . 1 . . . . 79 GLN N . 17226 1 632 . 1 1 80 80 VAL H H 1 9.000 0.03 . 1 . . . . 80 VAL HN . 17226 1 633 . 1 1 80 80 VAL HA H 1 4.386 0.03 . 1 . . . . 80 VAL HA . 17226 1 634 . 1 1 80 80 VAL HB H 1 2.331 0.03 . 1 . . . . 80 VAL HB . 17226 1 635 . 1 1 80 80 VAL HG11 H 1 -0.150 0.03 . 2 . . . . 80 VAL HG11 . 17226 1 636 . 1 1 80 80 VAL HG12 H 1 -0.150 0.03 . 2 . . . . 80 VAL HG11 . 17226 1 637 . 1 1 80 80 VAL HG13 H 1 -0.150 0.03 . 2 . . . . 80 VAL HG11 . 17226 1 638 . 1 1 80 80 VAL HG21 H 1 0.409 0.03 . 2 . . . . 80 VAL HG21 . 17226 1 639 . 1 1 80 80 VAL HG22 H 1 0.409 0.03 . 2 . . . . 80 VAL HG21 . 17226 1 640 . 1 1 80 80 VAL HG23 H 1 0.409 0.03 . 2 . . . . 80 VAL HG21 . 17226 1 641 . 1 1 80 80 VAL C C 13 177.880 0.30 . 1 . . . . 80 VAL C . 17226 1 642 . 1 1 80 80 VAL CA C 13 65.100 0.30 . 1 . . . . 80 VAL CA . 17226 1 643 . 1 1 80 80 VAL CB C 13 32.440 0.30 . 1 . . . . 80 VAL CB . 17226 1 644 . 1 1 80 80 VAL CG1 C 13 22.100 0.30 . 1 . . . . 80 VAL CG1 . 17226 1 645 . 1 1 80 80 VAL CG2 C 13 19.149 0.30 . 1 . . . . 80 VAL CG2 . 17226 1 646 . 1 1 80 80 VAL N N 15 115.410 0.3 . 1 . . . . 80 VAL N . 17226 1 647 . 1 1 81 81 HIS H H 1 10.614 0.03 . 1 . . . . 81 HIS HN . 17226 1 648 . 1 1 81 81 HIS HB2 H 1 10.940 0.03 . 2 . . . . 81 HIS HB1 . 17226 1 649 . 1 1 81 81 HIS HB3 H 1 8.690 0.03 . 2 . . . . 81 HIS HB2 . 17226 1 650 . 1 1 81 81 HIS C C 13 175.880 0.30 . 1 . . . . 81 HIS C . 17226 1 651 . 1 1 81 81 HIS CA C 13 73.660 0.30 . 1 . . . . 81 HIS CA . 17226 1 652 . 1 1 81 81 HIS CB C 13 28.860 0.30 . 1 . . . . 81 HIS CB . 17226 1 653 . 1 1 81 81 HIS N N 15 118.413 0.3 . 1 . . . . 81 HIS N . 17226 1 654 . 1 1 82 82 GLN H H 1 9.247 0.03 . 1 . . . . 82 GLN HN . 17226 1 655 . 1 1 82 82 GLN HA H 1 5.410 0.03 . 1 . . . . 82 GLN HA . 17226 1 656 . 1 1 82 82 GLN HB2 H 1 3.263 0.03 . 2 . . . . 82 GLN HB1 . 17226 1 657 . 1 1 82 82 GLN HB3 H 1 3.011 0.03 . 2 . . . . 82 GLN HB2 . 17226 1 658 . 1 1 82 82 GLN C C 13 177.530 0.30 . 1 . . . . 82 GLN C . 17226 1 659 . 1 1 82 82 GLN CA C 13 58.250 0.30 . 1 . . . . 82 GLN CA . 17226 1 660 . 1 1 82 82 GLN CB C 13 28.920 0.30 . 1 . . . . 82 GLN CB . 17226 1 661 . 1 1 82 82 GLN N N 15 122.141 0.3 . 1 . . . . 82 GLN N . 17226 1 662 . 1 1 83 83 GLY H H 1 9.550 0.03 . 1 . . . . 83 GLY HN . 17226 1 663 . 1 1 83 83 GLY HA2 H 1 4.420 0.03 . 2 . . . . 83 GLY HA1 . 17226 1 664 . 1 1 83 83 GLY HA3 H 1 4.207 0.03 . 2 . . . . 83 GLY HA2 . 17226 1 665 . 1 1 83 83 GLY C C 13 175.660 0.30 . 1 . . . . 83 GLY C . 17226 1 666 . 1 1 83 83 GLY CA C 13 46.540 0.30 . 1 . . . . 83 GLY CA . 17226 1 667 . 1 1 83 83 GLY N N 15 110.910 0.3 . 1 . . . . 83 GLY N . 17226 1 668 . 1 1 84 84 ARG H H 1 8.330 0.03 . 1 . . . . 84 ARG HN . 17226 1 669 . 1 1 84 84 ARG HA H 1 4.543 0.03 . 1 . . . . 84 ARG HA . 17226 1 670 . 1 1 84 84 ARG HB2 H 1 2.054 0.03 . 2 . . . . 84 ARG HB1 . 17226 1 671 . 1 1 84 84 ARG C C 13 176.580 0.30 . 1 . . . . 84 ARG C . 17226 1 672 . 1 1 84 84 ARG CA C 13 56.840 0.30 . 1 . . . . 84 ARG CA . 17226 1 673 . 1 1 84 84 ARG CB C 13 31.930 0.30 . 1 . . . . 84 ARG CB . 17226 1 674 . 1 1 84 84 ARG N N 15 117.440 0.3 . 1 . . . . 84 ARG N . 17226 1 675 . 1 1 85 85 GLY H H 1 9.055 0.03 . 1 . . . . 85 GLY HN . 17226 1 676 . 1 1 85 85 GLY HA2 H 1 4.090 0.03 . 2 . . . . 85 GLY HA1 . 17226 1 677 . 1 1 85 85 GLY HA3 H 1 3.874 0.03 . 2 . . . . 85 GLY HA2 . 17226 1 678 . 1 1 85 85 GLY C C 13 174.175 0.30 . 1 . . . . 85 GLY C . 17226 1 679 . 1 1 85 85 GLY CA C 13 46.170 0.30 . 1 . . . . 85 GLY CA . 17226 1 680 . 1 1 85 85 GLY N N 15 109.748 0.3 . 1 . . . . 85 GLY N . 17226 1 681 . 1 1 86 86 ILE H H 1 8.028 0.03 . 1 . . . . 86 ILE HN . 17226 1 682 . 1 1 86 86 ILE HA H 1 3.591 0.03 . 1 . . . . 86 ILE HA . 17226 1 683 . 1 1 86 86 ILE HB H 1 2.165 0.03 . 1 . . . . 86 ILE HB . 17226 1 684 . 1 1 86 86 ILE HG21 H 1 -0.092 0.03 . 1 . . . . 86 ILE HG21 . 17226 1 685 . 1 1 86 86 ILE HG22 H 1 -0.092 0.03 . 1 . . . . 86 ILE HG21 . 17226 1 686 . 1 1 86 86 ILE HG23 H 1 -0.092 0.03 . 1 . . . . 86 ILE HG21 . 17226 1 687 . 1 1 86 86 ILE C C 13 176.632 0.30 . 1 . . . . 86 ILE C . 17226 1 688 . 1 1 86 86 ILE CA C 13 62.163 0.30 . 1 . . . . 86 ILE CA . 17226 1 689 . 1 1 86 86 ILE CB C 13 37.717 0.30 . 1 . . . . 86 ILE CB . 17226 1 690 . 1 1 86 86 ILE CD1 C 13 15.160 0.30 . 1 . . . . 86 ILE CD1 . 17226 1 691 . 1 1 86 86 ILE CG1 C 13 28.650 0.30 . 1 . . . . 86 ILE CG1 . 17226 1 692 . 1 1 86 86 ILE CG2 C 13 18.540 0.30 . 1 . . . . 86 ILE CG2 . 17226 1 693 . 1 1 86 86 ILE N N 15 120.649 0.3 . 1 . . . . 86 ILE N . 17226 1 694 . 1 1 87 87 THR H H 1 10.266 0.03 . 1 . . . . 87 THR HN . 17226 1 695 . 1 1 87 87 THR HA H 1 4.658 0.03 . 1 . . . . 87 THR HA . 17226 1 696 . 1 1 87 87 THR C C 13 176.419 0.30 . 1 . . . . 87 THR C . 17226 1 697 . 1 1 87 87 THR CA C 13 60.023 0.30 . 1 . . . . 87 THR CA . 17226 1 698 . 1 1 87 87 THR CB C 13 72.879 0.30 . 1 . . . . 87 THR CB . 17226 1 699 . 1 1 87 87 THR N N 15 122.990 0.3 . 1 . . . . 87 THR N . 17226 1 700 . 1 1 88 88 MET H H 1 9.123 0.03 . 1 . . . . 88 MET HN . 17226 1 701 . 1 1 88 88 MET HB2 H 1 1.983 0.03 . 2 . . . . 88 MET HB1 . 17226 1 702 . 1 1 88 88 MET HG2 H 1 2.578 0.03 . 2 . . . . 88 MET HG1 . 17226 1 703 . 1 1 88 88 MET C C 13 178.108 0.30 . 1 . . . . 88 MET C . 17226 1 704 . 1 1 88 88 MET CA C 13 56.656 0.30 . 1 . . . . 88 MET CA . 17226 1 705 . 1 1 88 88 MET CB C 13 30.390 0.30 . 1 . . . . 88 MET CB . 17226 1 706 . 1 1 88 88 MET CG C 13 32.279 0.30 . 1 . . . . 88 MET CG . 17226 1 707 . 1 1 88 88 MET N N 15 119.634 0.3 . 1 . . . . 88 MET N . 17226 1 708 . 1 1 89 89 HIS H H 1 8.013 0.03 . 1 . . . . 89 HIS HN . 17226 1 709 . 1 1 89 89 HIS HA H 1 4.118 0.03 . 1 . . . . 89 HIS HA . 17226 1 710 . 1 1 89 89 HIS HB2 H 1 2.811 0.03 . 2 . . . . 89 HIS HB1 . 17226 1 711 . 1 1 89 89 HIS HB3 H 1 2.396 0.03 . 2 . . . . 89 HIS HB2 . 17226 1 712 . 1 1 89 89 HIS C C 13 177.077 0.30 . 1 . . . . 89 HIS C . 17226 1 713 . 1 1 89 89 HIS CA C 13 59.459 0.30 . 1 . . . . 89 HIS CA . 17226 1 714 . 1 1 89 89 HIS CB C 13 30.539 0.30 . 1 . . . . 89 HIS CB . 17226 1 715 . 1 1 89 89 HIS N N 15 120.343 0.3 . 1 . . . . 89 HIS N . 17226 1 716 . 1 1 90 90 HIS H H 1 6.694 0.03 . 1 . . . . 90 HIS HN . 17226 1 717 . 1 1 90 90 HIS HA H 1 3.384 0.03 . 1 . . . . 90 HIS HA . 17226 1 718 . 1 1 90 90 HIS HB2 H 1 2.617 0.03 . 2 . . . . 90 HIS HB1 . 17226 1 719 . 1 1 90 90 HIS HB3 H 1 2.001 0.03 . 2 . . . . 90 HIS HB2 . 17226 1 720 . 1 1 90 90 HIS C C 13 176.932 0.30 . 1 . . . . 90 HIS C . 17226 1 721 . 1 1 90 90 HIS CA C 13 60.590 0.30 . 1 . . . . 90 HIS CA . 17226 1 722 . 1 1 90 90 HIS CB C 13 30.982 0.30 . 1 . . . . 90 HIS CB . 17226 1 723 . 1 1 90 90 HIS N N 15 117.286 0.3 . 1 . . . . 90 HIS N . 17226 1 724 . 1 1 91 91 PHE H H 1 7.713 0.03 . 1 . . . . 91 PHE HN . 17226 1 725 . 1 1 91 91 PHE HA H 1 2.067 0.03 . 1 . . . . 91 PHE HA . 17226 1 726 . 1 1 91 91 PHE HB2 H 1 2.901 0.03 . 2 . . . . 91 PHE HB1 . 17226 1 727 . 1 1 91 91 PHE HB3 H 1 1.716 0.03 . 2 . . . . 91 PHE HB2 . 17226 1 728 . 1 1 91 91 PHE C C 13 175.446 0.30 . 1 . . . . 91 PHE C . 17226 1 729 . 1 1 91 91 PHE CA C 13 61.410 0.30 . 1 . . . . 91 PHE CA . 17226 1 730 . 1 1 91 91 PHE CB C 13 38.914 0.30 . 1 . . . . 91 PHE CB . 17226 1 731 . 1 1 91 91 PHE N N 15 118.177 0.3 . 1 . . . . 91 PHE N . 17226 1 732 . 1 1 92 92 SER H H 1 8.101 0.03 . 1 . . . . 92 SER HN . 17226 1 733 . 1 1 92 92 SER HB2 H 1 3.730 0.03 . 2 . . . . 92 SER HB1 . 17226 1 734 . 1 1 92 92 SER C C 13 177.170 0.30 . 1 . . . . 92 SER C . 17226 1 735 . 1 1 92 92 SER CA C 13 61.350 0.30 . 1 . . . . 92 SER CA . 17226 1 736 . 1 1 92 92 SER CB C 13 62.250 0.30 . 1 . . . . 92 SER CB . 17226 1 737 . 1 1 92 92 SER N N 15 114.483 0.3 . 1 . . . . 92 SER N . 17226 1 738 . 1 1 93 93 LEU H H 1 7.276 0.03 . 1 . . . . 93 LEU HN . 17226 1 739 . 1 1 93 93 LEU HA H 1 3.678 0.03 . 1 . . . . 93 LEU HA . 17226 1 740 . 1 1 93 93 LEU HB2 H 1 1.639 0.03 . 2 . . . . 93 LEU HB1 . 17226 1 741 . 1 1 93 93 LEU HB3 H 1 0.977 0.03 . 2 . . . . 93 LEU HB2 . 17226 1 742 . 1 1 93 93 LEU C C 13 179.439 0.30 . 1 . . . . 93 LEU C . 17226 1 743 . 1 1 93 93 LEU CA C 13 56.936 0.30 . 1 . . . . 93 LEU CA . 17226 1 744 . 1 1 93 93 LEU CB C 13 42.057 0.30 . 1 . . . . 93 LEU CB . 17226 1 745 . 1 1 93 93 LEU N N 15 121.983 0.3 . 1 . . . . 93 LEU N . 17226 1 746 . 1 1 94 94 VAL H H 1 7.228 0.03 . 1 . . . . 94 VAL HN . 17226 1 747 . 1 1 94 94 VAL HA H 1 3.130 0.03 . 1 . . . . 94 VAL HA . 17226 1 748 . 1 1 94 94 VAL HB H 1 0.487 0.03 . 1 . . . . 94 VAL HB . 17226 1 749 . 1 1 94 94 VAL HG11 H 1 -0.449 0.03 . 2 . . . . 94 VAL HG11 . 17226 1 750 . 1 1 94 94 VAL HG12 H 1 -0.449 0.03 . 2 . . . . 94 VAL HG11 . 17226 1 751 . 1 1 94 94 VAL HG13 H 1 -0.449 0.03 . 2 . . . . 94 VAL HG11 . 17226 1 752 . 1 1 94 94 VAL HG21 H 1 -0.675 0.03 . 2 . . . . 94 VAL HG21 . 17226 1 753 . 1 1 94 94 VAL HG22 H 1 -0.675 0.03 . 2 . . . . 94 VAL HG21 . 17226 1 754 . 1 1 94 94 VAL HG23 H 1 -0.675 0.03 . 2 . . . . 94 VAL HG21 . 17226 1 755 . 1 1 94 94 VAL C C 13 176.460 0.30 . 1 . . . . 94 VAL C . 17226 1 756 . 1 1 94 94 VAL CA C 13 67.718 0.30 . 1 . . . . 94 VAL CA . 17226 1 757 . 1 1 94 94 VAL CB C 13 30.390 0.30 . 1 . . . . 94 VAL CB . 17226 1 758 . 1 1 94 94 VAL CG1 C 13 24.776 0.30 . 1 . . . . 94 VAL CG1 . 17226 1 759 . 1 1 94 94 VAL CG2 C 13 19.492 0.30 . 1 . . . . 94 VAL CG2 . 17226 1 760 . 1 1 94 94 VAL N N 15 120.785 0.3 . 1 . . . . 94 VAL N . 17226 1 761 . 1 1 95 95 ALA H H 1 7.896 0.03 . 1 . . . . 95 ALA HN . 17226 1 762 . 1 1 95 95 ALA HA H 1 3.236 0.03 . 1 . . . . 95 ALA HA . 17226 1 763 . 1 1 95 95 ALA HB1 H 1 0.767 0.03 . 1 . . . . 95 ALA HB1 . 17226 1 764 . 1 1 95 95 ALA HB2 H 1 0.767 0.03 . 1 . . . . 95 ALA HB1 . 17226 1 765 . 1 1 95 95 ALA HB3 H 1 0.767 0.03 . 1 . . . . 95 ALA HB1 . 17226 1 766 . 1 1 95 95 ALA C C 13 179.460 0.30 . 1 . . . . 95 ALA C . 17226 1 767 . 1 1 95 95 ALA CA C 13 54.883 0.30 . 1 . . . . 95 ALA CA . 17226 1 768 . 1 1 95 95 ALA CB C 13 16.576 0.30 . 1 . . . . 95 ALA CB . 17226 1 769 . 1 1 95 95 ALA N N 15 121.677 0.3 . 1 . . . . 95 ALA N . 17226 1 770 . 1 1 96 96 GLY H H 1 7.541 0.03 . 1 . . . . 96 GLY HN . 17226 1 771 . 1 1 96 96 GLY HA2 H 1 3.643 0.03 . 2 . . . . 96 GLY HA1 . 17226 1 772 . 1 1 96 96 GLY HA3 H 1 3.506 0.03 . 2 . . . . 96 GLY HA2 . 17226 1 773 . 1 1 96 96 GLY C C 13 175.639 0.30 . 1 . . . . 96 GLY C . 17226 1 774 . 1 1 96 96 GLY CA C 13 46.960 0.30 . 1 . . . . 96 GLY CA . 17226 1 775 . 1 1 96 96 GLY N N 15 105.795 0.3 . 1 . . . . 96 GLY N . 17226 1 776 . 1 1 97 97 HIS H H 1 7.732 0.03 . 1 . . . . 97 HIS HN . 17226 1 777 . 1 1 97 97 HIS HB2 H 1 3.117 0.03 . 2 . . . . 97 HIS HB1 . 17226 1 778 . 1 1 97 97 HIS C C 13 178.760 0.30 . 1 . . . . 97 HIS C . 17226 1 779 . 1 1 97 97 HIS CA C 13 59.827 0.30 . 1 . . . . 97 HIS CA . 17226 1 780 . 1 1 97 97 HIS CB C 13 31.178 0.30 . 1 . . . . 97 HIS CB . 17226 1 781 . 1 1 97 97 HIS N N 15 121.193 0.3 . 1 . . . . 97 HIS N . 17226 1 782 . 1 1 98 98 LEU H H 1 8.526 0.03 . 1 . . . . 98 LEU HN . 17226 1 783 . 1 1 98 98 LEU HA H 1 4.064 0.03 . 1 . . . . 98 LEU HA . 17226 1 784 . 1 1 98 98 LEU HD11 H 1 0.155 0.03 . 2 . . . . 98 LEU HD11 . 17226 1 785 . 1 1 98 98 LEU HD12 H 1 0.155 0.03 . 2 . . . . 98 LEU HD11 . 17226 1 786 . 1 1 98 98 LEU HD13 H 1 0.155 0.03 . 2 . . . . 98 LEU HD11 . 17226 1 787 . 1 1 98 98 LEU HG H 1 0.315 0.03 . 1 . . . . 98 LEU HG . 17226 1 788 . 1 1 98 98 LEU C C 13 178.220 0.30 . 1 . . . . 98 LEU C . 17226 1 789 . 1 1 98 98 LEU CA C 13 58.110 0.30 . 1 . . . . 98 LEU CA . 17226 1 790 . 1 1 98 98 LEU CB C 13 40.750 0.30 . 1 . . . . 98 LEU CB . 17226 1 791 . 1 1 98 98 LEU CD1 C 13 21.195 0.30 . 1 . . . . 98 LEU CD1 . 17226 1 792 . 1 1 98 98 LEU CG C 13 25.546 0.30 . 1 . . . . 98 LEU CG . 17226 1 793 . 1 1 98 98 LEU N N 15 121.074 0.3 . 1 . . . . 98 LEU N . 17226 1 794 . 1 1 99 99 ALA H H 1 8.233 0.03 . 1 . . . . 99 ALA HN . 17226 1 795 . 1 1 99 99 ALA HA H 1 3.879 0.03 . 1 . . . . 99 ALA HA . 17226 1 796 . 1 1 99 99 ALA HB1 H 1 1.488 0.03 . 1 . . . . 99 ALA HB1 . 17226 1 797 . 1 1 99 99 ALA HB2 H 1 1.488 0.03 . 1 . . . . 99 ALA HB1 . 17226 1 798 . 1 1 99 99 ALA HB3 H 1 1.488 0.03 . 1 . . . . 99 ALA HB1 . 17226 1 799 . 1 1 99 99 ALA C C 13 180.490 0.30 . 1 . . . . 99 ALA C . 17226 1 800 . 1 1 99 99 ALA CA C 13 56.069 0.30 . 1 . . . . 99 ALA CA . 17226 1 801 . 1 1 99 99 ALA CB C 13 17.723 0.30 . 1 . . . . 99 ALA CB . 17226 1 802 . 1 1 99 99 ALA N N 15 121.689 0.3 . 1 . . . . 99 ALA N . 17226 1 803 . 1 1 100 100 ASP H H 1 8.590 0.03 . 1 . . . . 100 ASP HN . 17226 1 804 . 1 1 100 100 ASP HA H 1 4.379 0.03 . 1 . . . . 100 ASP HA . 17226 1 805 . 1 1 100 100 ASP HB2 H 1 3.105 0.03 . 2 . . . . 100 ASP HB1 . 17226 1 806 . 1 1 100 100 ASP HB3 H 1 2.735 0.03 . 2 . . . . 100 ASP HB2 . 17226 1 807 . 1 1 100 100 ASP C C 13 179.401 0.30 . 1 . . . . 100 ASP C . 17226 1 808 . 1 1 100 100 ASP CA C 13 57.506 0.30 . 1 . . . . 100 ASP CA . 17226 1 809 . 1 1 100 100 ASP CB C 13 40.294 0.30 . 1 . . . . 100 ASP CB . 17226 1 810 . 1 1 100 100 ASP N N 15 120.247 0.3 . 1 . . . . 100 ASP N . 17226 1 811 . 1 1 101 101 ALA H H 1 8.784 0.03 . 1 . . . . 101 ALA HN . 17226 1 812 . 1 1 101 101 ALA HA H 1 4.448 0.03 . 1 . . . . 101 ALA HA . 17226 1 813 . 1 1 101 101 ALA HB1 H 1 1.852 0.03 . 1 . . . . 101 ALA HB1 . 17226 1 814 . 1 1 101 101 ALA HB2 H 1 1.852 0.03 . 1 . . . . 101 ALA HB1 . 17226 1 815 . 1 1 101 101 ALA HB3 H 1 1.852 0.03 . 1 . . . . 101 ALA HB1 . 17226 1 816 . 1 1 101 101 ALA C C 13 180.947 0.30 . 1 . . . . 101 ALA C . 17226 1 817 . 1 1 101 101 ALA CA C 13 55.190 0.30 . 1 . . . . 101 ALA CA . 17226 1 818 . 1 1 101 101 ALA CB C 13 18.696 0.30 . 1 . . . . 101 ALA CB . 17226 1 819 . 1 1 101 101 ALA N N 15 125.997 0.3 . 1 . . . . 101 ALA N . 17226 1 820 . 1 1 102 102 LEU H H 1 8.786 0.03 . 1 . . . . 102 LEU HN . 17226 1 821 . 1 1 102 102 LEU HA H 1 3.950 0.03 . 1 . . . . 102 LEU HA . 17226 1 822 . 1 1 102 102 LEU HB2 H 1 2.141 0.03 . 2 . . . . 102 LEU HB1 . 17226 1 823 . 1 1 102 102 LEU HB3 H 1 1.172 0.03 . 2 . . . . 102 LEU HB2 . 17226 1 824 . 1 1 102 102 LEU HG H 1 0.802 0.03 . 1 . . . . 102 LEU HG . 17226 1 825 . 1 1 102 102 LEU C C 13 178.418 0.30 . 1 . . . . 102 LEU C . 17226 1 826 . 1 1 102 102 LEU CA C 13 58.434 0.30 . 1 . . . . 102 LEU CA . 17226 1 827 . 1 1 102 102 LEU CB C 13 42.063 0.30 . 1 . . . . 102 LEU CB . 17226 1 828 . 1 1 102 102 LEU CG C 13 26.890 0.30 . 1 . . . . 102 LEU CG . 17226 1 829 . 1 1 102 102 LEU N N 15 120.750 0.3 . 1 . . . . 102 LEU N . 17226 1 830 . 1 1 103 103 THR H H 1 8.627 0.03 . 1 . . . . 103 THR HN . 17226 1 831 . 1 1 103 103 THR HA H 1 3.940 0.03 . 1 . . . . 103 THR HA . 17226 1 832 . 1 1 103 103 THR HB H 1 4.400 0.03 . 1 . . . . 103 THR HB . 17226 1 833 . 1 1 103 103 THR C C 13 178.768 0.30 . 1 . . . . 103 THR C . 17226 1 834 . 1 1 103 103 THR CA C 13 67.090 0.30 . 1 . . . . 103 THR CA . 17226 1 835 . 1 1 103 103 THR CB C 13 68.548 0.30 . 1 . . . . 103 THR CB . 17226 1 836 . 1 1 103 103 THR CG2 C 13 21.230 0.30 . 1 . . . . 103 THR CG2 . 17226 1 837 . 1 1 103 103 THR N N 15 118.365 0.3 . 1 . . . . 103 THR N . 17226 1 838 . 1 1 104 104 ALA H H 1 8.369 0.03 . 1 . . . . 104 ALA HN . 17226 1 839 . 1 1 104 104 ALA HA H 1 4.187 0.03 . 1 . . . . 104 ALA HA . 17226 1 840 . 1 1 104 104 ALA HB1 H 1 1.597 0.03 . 1 . . . . 104 ALA HB1 . 17226 1 841 . 1 1 104 104 ALA HB2 H 1 1.597 0.03 . 1 . . . . 104 ALA HB1 . 17226 1 842 . 1 1 104 104 ALA HB3 H 1 1.597 0.03 . 1 . . . . 104 ALA HB1 . 17226 1 843 . 1 1 104 104 ALA C C 13 178.416 0.30 . 1 . . . . 104 ALA C . 17226 1 844 . 1 1 104 104 ALA CA C 13 54.915 0.30 . 1 . . . . 104 ALA CA . 17226 1 845 . 1 1 104 104 ALA CB C 13 17.981 0.30 . 1 . . . . 104 ALA CB . 17226 1 846 . 1 1 104 104 ALA N N 15 126.264 0.3 . 1 . . . . 104 ALA N . 17226 1 847 . 1 1 105 105 ALA H H 1 7.514 0.03 . 1 . . . . 105 ALA HN . 17226 1 848 . 1 1 105 105 ALA HA H 1 4.447 0.03 . 1 . . . . 105 ALA HA . 17226 1 849 . 1 1 105 105 ALA HB1 H 1 1.570 0.03 . 1 . . . . 105 ALA HB1 . 17226 1 850 . 1 1 105 105 ALA HB2 H 1 1.570 0.03 . 1 . . . . 105 ALA HB1 . 17226 1 851 . 1 1 105 105 ALA HB3 H 1 1.570 0.03 . 1 . . . . 105 ALA HB1 . 17226 1 852 . 1 1 105 105 ALA C C 13 177.484 0.30 . 1 . . . . 105 ALA C . 17226 1 853 . 1 1 105 105 ALA CA C 13 52.097 0.30 . 1 . . . . 105 ALA CA . 17226 1 854 . 1 1 105 105 ALA CB C 13 18.934 0.30 . 1 . . . . 105 ALA CB . 17226 1 855 . 1 1 105 105 ALA N N 15 118.412 0.3 . 1 . . . . 105 ALA N . 17226 1 856 . 1 1 106 106 GLY H H 1 7.956 0.03 . 1 . . . . 106 GLY HN . 17226 1 857 . 1 1 106 106 GLY HA2 H 1 4.170 0.03 . 2 . . . . 106 GLY HA1 . 17226 1 858 . 1 1 106 106 GLY C C 13 174.800 0.30 . 1 . . . . 106 GLY C . 17226 1 859 . 1 1 106 106 GLY CA C 13 45.459 0.30 . 1 . . . . 106 GLY CA . 17226 1 860 . 1 1 106 106 GLY N N 15 106.590 0.3 . 1 . . . . 106 GLY N . 17226 1 861 . 1 1 107 107 VAL H H 1 7.760 0.03 . 1 . . . . 107 VAL HN . 17226 1 862 . 1 1 107 107 VAL CA C 13 61.020 0.30 . 1 . . . . 107 VAL CA . 17226 1 863 . 1 1 107 107 VAL N N 15 124.203 0.3 . 1 . . . . 107 VAL N . 17226 1 864 . 1 1 108 108 PRO HA H 1 4.479 0.03 . 1 . . . . 108 PRO HA . 17226 1 865 . 1 1 108 108 PRO HB2 H 1 2.522 0.03 . 2 . . . . 108 PRO HB1 . 17226 1 866 . 1 1 108 108 PRO HB3 H 1 2.089 0.03 . 2 . . . . 108 PRO HB2 . 17226 1 867 . 1 1 108 108 PRO HG2 H 1 0.917 0.03 . 2 . . . . 108 PRO HG1 . 17226 1 868 . 1 1 108 108 PRO C C 13 178.420 0.30 . 1 . . . . 108 PRO C . 17226 1 869 . 1 1 108 108 PRO CA C 13 63.065 0.30 . 1 . . . . 108 PRO CA . 17226 1 870 . 1 1 108 108 PRO CB C 13 32.990 0.30 . 1 . . . . 108 PRO CB . 17226 1 871 . 1 1 108 108 PRO CG C 13 28.109 0.30 . 1 . . . . 108 PRO CG . 17226 1 872 . 1 1 109 109 SER H H 1 8.900 0.03 . 1 . . . . 109 SER HN . 17226 1 873 . 1 1 109 109 SER HA H 1 3.949 0.03 . 1 . . . . 109 SER HA . 17226 1 874 . 1 1 109 109 SER C C 13 176.608 0.30 . 1 . . . . 109 SER C . 17226 1 875 . 1 1 109 109 SER CA C 13 62.590 0.30 . 1 . . . . 109 SER CA . 17226 1 876 . 1 1 109 109 SER N N 15 119.450 0.3 . 1 . . . . 109 SER N . 17226 1 877 . 1 1 110 110 GLU H H 1 9.609 0.03 . 1 . . . . 110 GLU HN . 17226 1 878 . 1 1 110 110 GLU HA H 1 4.148 0.03 . 1 . . . . 110 GLU HA . 17226 1 879 . 1 1 110 110 GLU C C 13 178.766 0.30 . 1 . . . . 110 GLU C . 17226 1 880 . 1 1 110 110 GLU CA C 13 59.860 0.30 . 1 . . . . 110 GLU CA . 17226 1 881 . 1 1 110 110 GLU CB C 13 28.510 0.30 . 1 . . . . 110 GLU CB . 17226 1 882 . 1 1 110 110 GLU N N 15 120.439 0.3 . 1 . . . . 110 GLU N . 17226 1 883 . 1 1 111 111 THR H H 1 7.312 0.03 . 1 . . . . 111 THR HN . 17226 1 884 . 1 1 111 111 THR HA H 1 4.192 0.03 . 1 . . . . 111 THR HA . 17226 1 885 . 1 1 111 111 THR HB H 1 4.107 0.03 . 1 . . . . 111 THR HB . 17226 1 886 . 1 1 111 111 THR HG21 H 1 1.124 0.03 . 1 . . . . 111 THR HG1 . 17226 1 887 . 1 1 111 111 THR HG22 H 1 1.124 0.03 . 1 . . . . 111 THR HG1 . 17226 1 888 . 1 1 111 111 THR HG23 H 1 1.124 0.03 . 1 . . . . 111 THR HG1 . 17226 1 889 . 1 1 111 111 THR C C 13 176.055 0.30 . 1 . . . . 111 THR C . 17226 1 890 . 1 1 111 111 THR CA C 13 65.210 0.30 . 1 . . . . 111 THR CA . 17226 1 891 . 1 1 111 111 THR CB C 13 67.870 0.30 . 1 . . . . 111 THR CB . 17226 1 892 . 1 1 111 111 THR CG2 C 13 23.630 0.30 . 1 . . . . 111 THR CG2 . 17226 1 893 . 1 1 111 111 THR N N 15 118.255 0.3 . 1 . . . . 111 THR N . 17226 1 894 . 1 1 112 112 ILE H H 1 8.160 0.03 . 1 . . . . 112 ILE HN . 17226 1 895 . 1 1 112 112 ILE HA H 1 3.359 0.03 . 1 . . . . 112 ILE HA . 17226 1 896 . 1 1 112 112 ILE HB H 1 2.094 0.03 . 1 . . . . 112 ILE HB . 17226 1 897 . 1 1 112 112 ILE HD11 H 1 0.822 0.03 . 1 . . . . 112 ILE HD11 . 17226 1 898 . 1 1 112 112 ILE HD12 H 1 0.822 0.03 . 1 . . . . 112 ILE HD11 . 17226 1 899 . 1 1 112 112 ILE HD13 H 1 0.822 0.03 . 1 . . . . 112 ILE HD11 . 17226 1 900 . 1 1 112 112 ILE C C 13 177.589 0.30 . 1 . . . . 112 ILE C . 17226 1 901 . 1 1 112 112 ILE CA C 13 67.670 0.30 . 1 . . . . 112 ILE CA . 17226 1 902 . 1 1 112 112 ILE CB C 13 36.890 0.30 . 1 . . . . 112 ILE CB . 17226 1 903 . 1 1 112 112 ILE CD1 C 13 14.473 0.30 . 1 . . . . 112 ILE CD1 . 17226 1 904 . 1 1 112 112 ILE CG1 C 13 29.667 0.30 . 1 . . . . 112 ILE CG1 . 17226 1 905 . 1 1 112 112 ILE CG2 C 13 16.153 0.30 . 1 . . . . 112 ILE CG2 . 17226 1 906 . 1 1 112 112 ILE N N 15 124.744 0.3 . 1 . . . . 112 ILE N . 17226 1 907 . 1 1 113 113 THR H H 1 8.210 0.03 . 1 . . . . 113 THR HN . 17226 1 908 . 1 1 113 113 THR HA H 1 3.729 0.03 . 1 . . . . 113 THR HA . 17226 1 909 . 1 1 113 113 THR C C 13 176.984 0.30 . 1 . . . . 113 THR C . 17226 1 910 . 1 1 113 113 THR CA C 13 67.095 0.30 . 1 . . . . 113 THR CA . 17226 1 911 . 1 1 113 113 THR CB C 13 68.719 0.30 . 1 . . . . 113 THR CB . 17226 1 912 . 1 1 113 113 THR CG2 C 13 22.192 0.30 . 1 . . . . 113 THR CG2 . 17226 1 913 . 1 1 113 113 THR N N 15 115.615 0.3 . 1 . . . . 113 THR N . 17226 1 914 . 1 1 114 114 GLU H H 1 7.313 0.03 . 1 . . . . 114 GLU HN . 17226 1 915 . 1 1 114 114 GLU HA H 1 4.018 0.03 . 1 . . . . 114 GLU HA . 17226 1 916 . 1 1 114 114 GLU HB2 H 1 2.290 0.03 . 2 . . . . 114 GLU HB1 . 17226 1 917 . 1 1 114 114 GLU HB3 H 1 2.100 0.03 . 2 . . . . 114 GLU HB2 . 17226 1 918 . 1 1 114 114 GLU HG2 H 1 2.161 0.03 . 2 . . . . 114 GLU HG2 . 17226 1 919 . 1 1 114 114 GLU C C 13 179.560 0.30 . 1 . . . . 114 GLU C . 17226 1 920 . 1 1 114 114 GLU CA C 13 59.880 0.30 . 1 . . . . 114 GLU CA . 17226 1 921 . 1 1 114 114 GLU CB C 13 29.840 0.30 . 1 . . . . 114 GLU CB . 17226 1 922 . 1 1 114 114 GLU CG C 13 36.660 0.30 . 1 . . . . 114 GLU CG . 17226 1 923 . 1 1 114 114 GLU N N 15 121.667 0.3 . 1 . . . . 114 GLU N . 17226 1 924 . 1 1 115 115 ILE H H 1 8.416 0.03 . 1 . . . . 115 ILE HN . 17226 1 925 . 1 1 115 115 ILE HA H 1 3.401 0.03 . 1 . . . . 115 ILE HA . 17226 1 926 . 1 1 115 115 ILE HB H 1 1.952 0.03 . 1 . . . . 115 ILE HB . 17226 1 927 . 1 1 115 115 ILE C C 13 177.870 0.30 . 1 . . . . 115 ILE C . 17226 1 928 . 1 1 115 115 ILE CA C 13 66.330 0.30 . 1 . . . . 115 ILE CA . 17226 1 929 . 1 1 115 115 ILE CB C 13 37.620 0.30 . 1 . . . . 115 ILE CB . 17226 1 930 . 1 1 115 115 ILE CD1 C 13 14.854 0.30 . 1 . . . . 115 ILE CD1 . 17226 1 931 . 1 1 115 115 ILE CG1 C 13 30.686 0.30 . 1 . . . . 115 ILE CG1 . 17226 1 932 . 1 1 115 115 ILE CG2 C 13 16.413 0.30 . 1 . . . . 115 ILE CG2 . 17226 1 933 . 1 1 115 115 ILE N N 15 121.426 0.3 . 1 . . . . 115 ILE N . 17226 1 934 . 1 1 116 116 LEU H H 1 8.763 0.03 . 1 . . . . 116 LEU HN . 17226 1 935 . 1 1 116 116 LEU HA H 1 3.874 0.03 . 1 . . . . 116 LEU HA . 17226 1 936 . 1 1 116 116 LEU HB2 H 1 1.792 0.03 . 2 . . . . 116 LEU HB1 . 17226 1 937 . 1 1 116 116 LEU HB3 H 1 1.388 0.03 . 2 . . . . 116 LEU HB2 . 17226 1 938 . 1 1 116 116 LEU C C 13 179.623 0.30 . 1 . . . . 116 LEU C . 17226 1 939 . 1 1 116 116 LEU CA C 13 57.567 0.30 . 1 . . . . 116 LEU CA . 17226 1 940 . 1 1 116 116 LEU CB C 13 39.930 0.30 . 1 . . . . 116 LEU CB . 17226 1 941 . 1 1 116 116 LEU N N 15 119.760 0.3 . 1 . . . . 116 LEU N . 17226 1 942 . 1 1 117 117 GLY H H 1 7.860 0.03 . 1 . . . . 117 GLY HN . 17226 1 943 . 1 1 117 117 GLY HA2 H 1 3.910 0.03 . 2 . . . . 117 GLY HA1 . 17226 1 944 . 1 1 117 117 GLY HA3 H 1 3.820 0.03 . 2 . . . . 117 GLY HA2 . 17226 1 945 . 1 1 117 117 GLY C C 13 175.851 0.30 . 1 . . . . 117 GLY C . 17226 1 946 . 1 1 117 117 GLY CA C 13 46.533 0.30 . 1 . . . . 117 GLY CA . 17226 1 947 . 1 1 117 117 GLY N N 15 106.767 0.3 . 1 . . . . 117 GLY N . 17226 1 948 . 1 1 118 118 VAL H H 1 7.559 0.03 . 1 . . . . 118 VAL HN . 17226 1 949 . 1 1 118 118 VAL HA H 1 3.809 0.03 . 1 . . . . 118 VAL HA . 17226 1 950 . 1 1 118 118 VAL HB H 1 2.293 0.03 . 1 . . . . 118 VAL HB . 17226 1 951 . 1 1 118 118 VAL HG11 H 1 0.973 0.03 . 2 . . . . 118 VAL HG11 . 17226 1 952 . 1 1 118 118 VAL HG12 H 1 0.973 0.03 . 2 . . . . 118 VAL HG11 . 17226 1 953 . 1 1 118 118 VAL HG13 H 1 0.973 0.03 . 2 . . . . 118 VAL HG11 . 17226 1 954 . 1 1 118 118 VAL HG21 H 1 0.787 0.03 . 2 . . . . 118 VAL HG21 . 17226 1 955 . 1 1 118 118 VAL HG22 H 1 0.787 0.03 . 2 . . . . 118 VAL HG21 . 17226 1 956 . 1 1 118 118 VAL HG23 H 1 0.787 0.03 . 2 . . . . 118 VAL HG21 . 17226 1 957 . 1 1 118 118 VAL C C 13 177.330 0.30 . 1 . . . . 118 VAL C . 17226 1 958 . 1 1 118 118 VAL CA C 13 65.094 0.30 . 1 . . . . 118 VAL CA . 17226 1 959 . 1 1 118 118 VAL CB C 13 31.560 0.30 . 1 . . . . 118 VAL CB . 17226 1 960 . 1 1 118 118 VAL N N 15 121.296 0.3 . 1 . . . . 118 VAL N . 17226 1 961 . 1 1 119 119 ILE H H 1 7.302 0.03 . 1 . . . . 119 ILE HN . 17226 1 962 . 1 1 119 119 ILE HA H 1 4.103 0.03 . 1 . . . . 119 ILE HA . 17226 1 963 . 1 1 119 119 ILE HB H 1 1.809 0.03 . 1 . . . . 119 ILE HB . 17226 1 964 . 1 1 119 119 ILE HG12 H 1 1.184 0.03 . 1 . . . . 119 ILE HG12 . 17226 1 965 . 1 1 119 119 ILE C C 13 176.690 0.30 . 1 . . . . 119 ILE C . 17226 1 966 . 1 1 119 119 ILE CA C 13 60.977 0.30 . 1 . . . . 119 ILE CA . 17226 1 967 . 1 1 119 119 ILE CB C 13 38.185 0.30 . 1 . . . . 119 ILE CB . 17226 1 968 . 1 1 119 119 ILE CG1 C 13 27.049 0.30 . 1 . . . . 119 ILE CG1 . 17226 1 969 . 1 1 119 119 ILE CG2 C 13 18.204 0.30 . 1 . . . . 119 ILE CG2 . 17226 1 970 . 1 1 119 119 ILE N N 15 112.657 0.3 . 1 . . . . 119 ILE N . 17226 1 971 . 1 1 120 120 ALA H H 1 7.921 0.03 . 1 . . . . 120 ALA HN . 17226 1 972 . 1 1 120 120 ALA HB1 H 1 1.474 0.03 . 1 . . . . 120 ALA HB1 . 17226 1 973 . 1 1 120 120 ALA HB2 H 1 1.474 0.03 . 1 . . . . 120 ALA HB1 . 17226 1 974 . 1 1 120 120 ALA HB3 H 1 1.474 0.03 . 1 . . . . 120 ALA HB1 . 17226 1 975 . 1 1 120 120 ALA CA C 13 57.014 0.30 . 1 . . . . 120 ALA CA . 17226 1 976 . 1 1 120 120 ALA CB C 13 15.865 0.30 . 1 . . . . 120 ALA CB . 17226 1 977 . 1 1 120 120 ALA N N 15 124.164 0.3 . 1 . . . . 120 ALA N . 17226 1 978 . 1 1 121 121 PRO HA H 1 4.393 0.03 . 1 . . . . 121 PRO HA . 17226 1 979 . 1 1 121 121 PRO HB2 H 1 2.433 0.03 . 2 . . . . 121 PRO HB1 . 17226 1 980 . 1 1 121 121 PRO HD2 H 1 3.621 0.03 . 2 . . . . 121 PRO HD1 . 17226 1 981 . 1 1 121 121 PRO C C 13 177.950 0.30 . 1 . . . . 121 PRO C . 17226 1 982 . 1 1 121 121 PRO CA C 13 65.160 0.30 . 1 . . . . 121 PRO CA . 17226 1 983 . 1 1 121 121 PRO CB C 13 31.520 0.30 . 1 . . . . 121 PRO CB . 17226 1 984 . 1 1 121 121 PRO CD C 13 51.554 0.30 . 1 . . . . 121 PRO CD . 17226 1 985 . 1 1 121 121 PRO CG C 13 28.038 0.30 . 1 . . . . 121 PRO CG . 17226 1 986 . 1 1 122 122 LEU H H 1 7.851 0.03 . 1 . . . . 122 LEU HN . 17226 1 987 . 1 1 122 122 LEU HA H 1 4.428 0.03 . 1 . . . . 122 LEU HA . 17226 1 988 . 1 1 122 122 LEU HB2 H 1 2.013 0.03 . 2 . . . . 122 LEU HB1 . 17226 1 989 . 1 1 122 122 LEU HB3 H 1 1.449 0.03 . 2 . . . . 122 LEU HB2 . 17226 1 990 . 1 1 122 122 LEU HD11 H 1 1.006 0.03 . 2 . . . . 122 LEU HD11 . 17226 1 991 . 1 1 122 122 LEU HD12 H 1 1.006 0.03 . 2 . . . . 122 LEU HD11 . 17226 1 992 . 1 1 122 122 LEU HD13 H 1 1.006 0.03 . 2 . . . . 122 LEU HD11 . 17226 1 993 . 1 1 122 122 LEU HD21 H 1 0.817 0.03 . 2 . . . . 122 LEU HD21 . 17226 1 994 . 1 1 122 122 LEU HD22 H 1 0.817 0.03 . 2 . . . . 122 LEU HD21 . 17226 1 995 . 1 1 122 122 LEU HD23 H 1 0.817 0.03 . 2 . . . . 122 LEU HD21 . 17226 1 996 . 1 1 122 122 LEU HG H 1 1.847 0.03 . 1 . . . . 122 LEU HG . 17226 1 997 . 1 1 122 122 LEU C C 13 177.950 0.30 . 1 . . . . 122 LEU C . 17226 1 998 . 1 1 122 122 LEU CA C 13 55.805 0.30 . 1 . . . . 122 LEU CA . 17226 1 999 . 1 1 122 122 LEU CB C 13 41.220 0.30 . 1 . . . . 122 LEU CB . 17226 1 1000 . 1 1 122 122 LEU CD1 C 13 26.926 0.30 . 1 . . . . 122 LEU CD1 . 17226 1 1001 . 1 1 122 122 LEU CG C 13 23.071 0.30 . 1 . . . . 122 LEU CG . 17226 1 1002 . 1 1 122 122 LEU N N 15 115.300 0.3 . 1 . . . . 122 LEU N . 17226 1 1003 . 1 1 123 123 ALA H H 1 7.330 0.03 . 1 . . . . 123 ALA HN . 17226 1 1004 . 1 1 123 123 ALA HA H 1 2.701 0.03 . 1 . . . . 123 ALA HA . 17226 1 1005 . 1 1 123 123 ALA HB1 H 1 0.278 0.03 . 1 . . . . 123 ALA HB1 . 17226 1 1006 . 1 1 123 123 ALA HB2 H 1 0.278 0.03 . 1 . . . . 123 ALA HB1 . 17226 1 1007 . 1 1 123 123 ALA HB3 H 1 0.278 0.03 . 1 . . . . 123 ALA HB1 . 17226 1 1008 . 1 1 123 123 ALA C C 13 179.760 0.30 . 1 . . . . 123 ALA C . 17226 1 1009 . 1 1 123 123 ALA CA C 13 56.130 0.30 . 1 . . . . 123 ALA CA . 17226 1 1010 . 1 1 123 123 ALA CB C 13 17.006 0.30 . 1 . . . . 123 ALA CB . 17226 1 1011 . 1 1 123 123 ALA N N 15 121.382 0.3 . 1 . . . . 123 ALA N . 17226 1 1012 . 1 1 124 124 VAL H H 1 7.266 0.03 . 1 . . . . 124 VAL HN . 17226 1 1013 . 1 1 124 124 VAL HA H 1 3.803 0.03 . 1 . . . . 124 VAL HA . 17226 1 1014 . 1 1 124 124 VAL HB H 1 2.205 0.03 . 1 . . . . 124 VAL HB . 17226 1 1015 . 1 1 124 124 VAL C C 13 176.785 0.30 . 1 . . . . 124 VAL C . 17226 1 1016 . 1 1 124 124 VAL CA C 13 65.150 0.30 . 1 . . . . 124 VAL CA . 17226 1 1017 . 1 1 124 124 VAL CB C 13 31.710 0.30 . 1 . . . . 124 VAL CB . 17226 1 1018 . 1 1 124 124 VAL CG1 C 13 20.869 0.30 . 1 . . . . 124 VAL CG1 . 17226 1 1019 . 1 1 124 124 VAL CG2 C 13 21.394 0.30 . 1 . . . . 124 VAL CG2 . 17226 1 1020 . 1 1 124 124 VAL N N 15 115.484 0.3 . 1 . . . . 124 VAL N . 17226 1 1021 . 1 1 125 125 ASP H H 1 7.685 0.03 . 1 . . . . 125 ASP HN . 17226 1 1022 . 1 1 125 125 ASP HA H 1 5.259 0.03 . 1 . . . . 125 ASP HA . 17226 1 1023 . 1 1 125 125 ASP HB2 H 1 3.390 0.03 . 2 . . . . 125 ASP HB1 . 17226 1 1024 . 1 1 125 125 ASP C C 13 178.720 0.30 . 1 . . . . 125 ASP C . 17226 1 1025 . 1 1 125 125 ASP CA C 13 57.308 0.30 . 1 . . . . 125 ASP CA . 17226 1 1026 . 1 1 125 125 ASP CB C 13 42.980 0.30 . 1 . . . . 125 ASP CB . 17226 1 1027 . 1 1 125 125 ASP N N 15 120.184 0.3 . 1 . . . . 125 ASP N . 17226 1 1028 . 1 1 126 126 VAL H H 1 8.725 0.03 . 1 . . . . 126 VAL HN . 17226 1 1029 . 1 1 126 126 VAL HA H 1 6.739 0.03 . 1 . . . . 126 VAL HA . 17226 1 1030 . 1 1 126 126 VAL HB H 1 2.400 0.03 . 1 . . . . 126 VAL HB . 17226 1 1031 . 1 1 126 126 VAL C C 13 176.140 0.30 . 1 . . . . 126 VAL C . 17226 1 1032 . 1 1 126 126 VAL CA C 13 67.360 0.30 . 1 . . . . 126 VAL CA . 17226 1 1033 . 1 1 126 126 VAL CB C 13 33.515 0.30 . 1 . . . . 126 VAL CB . 17226 1 1034 . 1 1 126 126 VAL N N 15 117.460 0.3 . 1 . . . . 126 VAL N . 17226 1 1035 . 1 1 127 127 THR H H 1 7.826 0.03 . 1 . . . . 127 THR HN . 17226 1 1036 . 1 1 127 127 THR HA H 1 4.868 0.03 . 1 . . . . 127 THR HA . 17226 1 1037 . 1 1 127 127 THR HB H 1 4.431 0.03 . 1 . . . . 127 THR HB . 17226 1 1038 . 1 1 127 127 THR HG21 H 1 0.830 0.03 . 1 . . . . 127 THR HG21 . 17226 1 1039 . 1 1 127 127 THR HG22 H 1 0.830 0.03 . 1 . . . . 127 THR HG21 . 17226 1 1040 . 1 1 127 127 THR HG23 H 1 0.830 0.03 . 1 . . . . 127 THR HG21 . 17226 1 1041 . 1 1 127 127 THR C C 13 175.430 0.30 . 1 . . . . 127 THR C . 17226 1 1042 . 1 1 127 127 THR CA C 13 61.100 0.30 . 1 . . . . 127 THR CA . 17226 1 1043 . 1 1 127 127 THR CB C 13 70.860 0.30 . 1 . . . . 127 THR CB . 17226 1 1044 . 1 1 127 127 THR CG2 C 13 21.519 0.30 . 1 . . . . 127 THR CG2 . 17226 1 1045 . 1 1 127 127 THR N N 15 104.670 0.3 . 1 . . . . 127 THR N . 17226 1 1046 . 1 1 128 128 SER H H 1 8.370 0.03 . 1 . . . . 128 SER HN . 17226 1 1047 . 1 1 128 128 SER HA H 1 4.855 0.03 . 1 . . . . 128 SER HA . 17226 1 1048 . 1 1 128 128 SER HB2 H 1 4.519 0.03 . 2 . . . . 128 SER HB1 . 17226 1 1049 . 1 1 128 128 SER C C 13 175.644 0.30 . 1 . . . . 128 SER C . 17226 1 1050 . 1 1 128 128 SER CA C 13 59.690 0.30 . 1 . . . . 128 SER CA . 17226 1 1051 . 1 1 128 128 SER CB C 13 64.578 0.30 . 1 . . . . 128 SER CB . 17226 1 1052 . 1 1 128 128 SER N N 15 116.260 0.3 . 1 . . . . 128 SER N . 17226 1 1053 . 1 1 129 129 GLY H H 1 8.880 0.03 . 1 . . . . 129 GLY HN . 17226 1 1054 . 1 1 129 129 GLY HA2 H 1 4.383 0.03 . 2 . . . . 129 GLY HA1 . 17226 1 1055 . 1 1 129 129 GLY HA3 H 1 4.224 0.03 . 2 . . . . 129 GLY HA2 . 17226 1 1056 . 1 1 129 129 GLY C C 13 174.250 0.30 . 1 . . . . 129 GLY C . 17226 1 1057 . 1 1 129 129 GLY CA C 13 45.514 0.30 . 1 . . . . 129 GLY CA . 17226 1 1058 . 1 1 129 129 GLY N N 15 111.260 0.3 . 1 . . . . 129 GLY N . 17226 1 1059 . 1 1 130 130 GLU H H 1 8.577 0.03 . 1 . . . . 130 GLU HN . 17226 1 1060 . 1 1 130 130 GLU HA H 1 4.495 0.03 . 1 . . . . 130 GLU HA . 17226 1 1061 . 1 1 130 130 GLU HB2 H 1 2.218 0.03 . 2 . . . . 130 GLU HB1 . 17226 1 1062 . 1 1 130 130 GLU HB3 H 1 2.101 0.03 . 2 . . . . 130 GLU HB2 . 17226 1 1063 . 1 1 130 130 GLU HG2 H 1 2.416 0.03 . 2 . . . . 130 GLU HG1 . 17226 1 1064 . 1 1 130 130 GLU HG3 H 1 2.405 0.03 . 2 . . . . 130 GLU HG2 . 17226 1 1065 . 1 1 130 130 GLU C C 13 176.715 0.30 . 1 . . . . 130 GLU C . 17226 1 1066 . 1 1 130 130 GLU CA C 13 56.737 0.30 . 1 . . . . 130 GLU CA . 17226 1 1067 . 1 1 130 130 GLU CB C 13 30.670 0.30 . 1 . . . . 130 GLU CB . 17226 1 1068 . 1 1 130 130 GLU CG C 13 36.396 0.30 . 1 . . . . 130 GLU CG . 17226 1 1069 . 1 1 130 130 GLU N N 15 120.864 0.3 . 1 . . . . 130 GLU N . 17226 1 1070 . 1 1 131 131 SER H H 1 8.653 0.03 . 1 . . . . 131 SER HN . 17226 1 1071 . 1 1 131 131 SER HA H 1 4.656 0.03 . 1 . . . . 131 SER HA . 17226 1 1072 . 1 1 131 131 SER HB2 H 1 3.993 0.03 . 2 . . . . 131 SER HB1 . 17226 1 1073 . 1 1 131 131 SER C C 13 174.898 0.30 . 1 . . . . 131 SER C . 17226 1 1074 . 1 1 131 131 SER CA C 13 58.390 0.30 . 1 . . . . 131 SER CA . 17226 1 1075 . 1 1 131 131 SER CB C 13 63.990 0.30 . 1 . . . . 131 SER CB . 17226 1 1076 . 1 1 131 131 SER N N 15 117.170 0.3 . 1 . . . . 131 SER N . 17226 1 1077 . 1 1 132 132 THR H H 1 8.399 0.03 . 1 . . . . 132 THR HN . 17226 1 1078 . 1 1 132 132 THR HA H 1 4.514 0.03 . 1 . . . . 132 THR HA . 17226 1 1079 . 1 1 132 132 THR HB H 1 4.349 0.03 . 1 . . . . 132 THR HB . 17226 1 1080 . 1 1 132 132 THR HG21 H 1 1.295 0.03 . 1 . . . . 132 THR HG21 . 17226 1 1081 . 1 1 132 132 THR HG22 H 1 1.295 0.03 . 1 . . . . 132 THR HG21 . 17226 1 1082 . 1 1 132 132 THR HG23 H 1 1.295 0.03 . 1 . . . . 132 THR HG21 . 17226 1 1083 . 1 1 132 132 THR C C 13 174.682 0.30 . 1 . . . . 132 THR C . 17226 1 1084 . 1 1 132 132 THR CA C 13 61.870 0.30 . 1 . . . . 132 THR CA . 17226 1 1085 . 1 1 132 132 THR CB C 13 69.785 0.30 . 1 . . . . 132 THR CB . 17226 1 1086 . 1 1 132 132 THR CG2 C 13 21.783 0.30 . 1 . . . . 132 THR CG2 . 17226 1 1087 . 1 1 132 132 THR N N 15 116.246 0.3 . 1 . . . . 132 THR N . 17226 1 1088 . 1 1 133 133 THR H H 1 8.250 0.03 . 1 . . . . 133 THR HN . 17226 1 1089 . 1 1 133 133 THR HA H 1 4.395 0.03 . 1 . . . . 133 THR HA . 17226 1 1090 . 1 1 133 133 THR HB H 1 4.225 0.03 . 1 . . . . 133 THR HB . 17226 1 1091 . 1 1 133 133 THR HG21 H 1 1.257 0.03 . 1 . . . . 133 THR HG21 . 17226 1 1092 . 1 1 133 133 THR HG22 H 1 1.257 0.03 . 1 . . . . 133 THR HG21 . 17226 1 1093 . 1 1 133 133 THR HG23 H 1 1.257 0.03 . 1 . . . . 133 THR HG21 . 17226 1 1094 . 1 1 133 133 THR C C 13 173.865 0.30 . 1 . . . . 133 THR C . 17226 1 1095 . 1 1 133 133 THR CA C 13 61.703 0.30 . 1 . . . . 133 THR CA . 17226 1 1096 . 1 1 133 133 THR CB C 13 69.903 0.30 . 1 . . . . 133 THR CB . 17226 1 1097 . 1 1 133 133 THR CG2 C 13 21.861 0.30 . 1 . . . . 133 THR CG2 . 17226 1 1098 . 1 1 133 133 THR N N 15 116.960 0.3 . 1 . . . . 133 THR N . 17226 1 1099 . 1 1 134 134 ALA H H 1 8.386 0.03 . 1 . . . . 134 ALA HN . 17226 1 1100 . 1 1 134 134 ALA HA H 1 4.653 0.03 . 1 . . . . 134 ALA HA . 17226 1 1101 . 1 1 134 134 ALA HB1 H 1 1.415 0.03 . 1 . . . . 134 ALA HB1 . 17226 1 1102 . 1 1 134 134 ALA HB2 H 1 1.415 0.03 . 1 . . . . 134 ALA HB1 . 17226 1 1103 . 1 1 134 134 ALA HB3 H 1 1.415 0.03 . 1 . . . . 134 ALA HB1 . 17226 1 1104 . 1 1 134 134 ALA CA C 13 50.580 0.30 . 1 . . . . 134 ALA CA . 17226 1 1105 . 1 1 134 134 ALA CB C 13 18.300 0.30 . 1 . . . . 134 ALA CB . 17226 1 1106 . 1 1 134 134 ALA N N 15 128.617 0.3 . 1 . . . . 134 ALA N . 17226 1 1107 . 1 1 135 135 PRO HA H 1 4.499 0.03 . 1 . . . . 135 PRO HA . 17226 1 1108 . 1 1 135 135 PRO HB2 H 1 2.299 0.03 . 2 . . . . 135 PRO HB1 . 17226 1 1109 . 1 1 135 135 PRO HB3 H 1 2.053 0.03 . 2 . . . . 135 PRO HB2 . 17226 1 1110 . 1 1 135 135 PRO HD2 H 1 3.837 0.03 . 2 . . . . 135 PRO HD1 . 17226 1 1111 . 1 1 135 135 PRO HD3 H 1 3.708 0.03 . 2 . . . . 135 PRO HD2 . 17226 1 1112 . 1 1 135 135 PRO HG2 H 1 1.976 0.03 . 2 . . . . 135 PRO HG1 . 17226 1 1113 . 1 1 135 135 PRO HG3 H 1 1.983 0.03 . 2 . . . . 135 PRO HG2 . 17226 1 1114 . 1 1 135 135 PRO C C 13 176.150 0.30 . 1 . . . . 135 PRO C . 17226 1 1115 . 1 1 135 135 PRO CA C 13 63.260 0.30 . 1 . . . . 135 PRO CA . 17226 1 1116 . 1 1 135 135 PRO CB C 13 31.900 0.30 . 1 . . . . 135 PRO CB . 17226 1 1117 . 1 1 135 135 PRO CD C 13 50.599 0.30 . 1 . . . . 135 PRO CD . 17226 1 1118 . 1 1 135 135 PRO CG C 13 27.371 0.30 . 1 . . . . 135 PRO CG . 17226 1 1119 . 1 1 136 136 VAL H H 1 7.751 0.03 . 1 . . . . 136 VAL HN . 17226 1 1120 . 1 1 136 136 VAL HA H 1 4.034 0.03 . 1 . . . . 136 VAL HA . 17226 1 1121 . 1 1 136 136 VAL HB H 1 2.096 0.03 . 1 . . . . 136 VAL HB . 17226 1 1122 . 1 1 136 136 VAL CA C 13 63.480 0.30 . 1 . . . . 136 VAL CA . 17226 1 1123 . 1 1 136 136 VAL CB C 13 33.298 0.30 . 1 . . . . 136 VAL CB . 17226 1 1124 . 1 1 136 136 VAL N N 15 124.071 0.3 . 1 . . . . 136 VAL N . 17226 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 17226 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 2.00E+07 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 17226 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 4 $NMRView . . 17226 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 7 7 LEU H H 1 . 1 1 7 7 LEU N N 15 -0.121522693997 0.0366032210835 . . 1 7 LEU H 1 7 LEU N 17226 1 2 . 1 1 11 11 GLU H H 1 . 1 1 11 11 GLU N N 15 0.181716833891 0.0278706800446 . . 1 11 GLU H 1 11 GLU N 17226 1 3 . 1 1 13 13 ILE H H 1 . 1 1 13 13 ILE N N 15 0.317629179331 0.0189969604863 . . 1 13 ILE H 1 13 ILE N 17226 1 4 . 1 1 14 14 SER H H 1 . 1 1 14 14 SER N N 15 0.529909706546 0.0282167042889 . . 1 14 SER H 1 14 SER N 17226 1 5 . 1 1 15 15 ILE H H 1 . 1 1 15 15 ILE N N 15 0.797263681592 0.0310945273632 . . 1 15 ILE H 1 15 ILE N 17226 1 6 . 1 1 16 16 TYR H H 1 . 1 1 16 16 TYR N N 15 0.817243472981 0.0303582270795 . . 1 16 TYR H 1 16 TYR N 17226 1 7 . 1 1 17 17 ASP H H 1 . 1 1 17 17 ASP N N 15 0.805173133083 0.0208594075928 . . 1 17 ASP H 1 17 ASP N 17226 1 8 . 1 1 19 19 ILE H H 1 . 1 1 19 19 ILE N N 15 0.800921187308 0.0255885363357 . . 1 19 ILE H 1 19 ILE N 17226 1 9 . 1 1 20 20 GLY H H 1 . 1 1 20 20 GLY N N 15 0.786516853933 0.0200642054575 . . 1 20 GLY H 1 20 GLY N 17226 1 10 . 1 1 21 21 GLY H H 1 . 1 1 21 21 GLY N N 15 0.726783793474 0.0179275726067 . . 1 21 GLY H 1 21 GLY N 17226 1 11 . 1 1 22 22 HIS H H 1 . 1 1 22 22 HIS N N 15 0.75 0.0222024866785 . . 1 22 HIS H 1 22 HIS N 17226 1 12 . 1 1 23 23 GLU H H 1 . 1 1 23 23 GLU N N 15 0.686953597848 0.0168123739072 . . 1 23 GLU H 1 23 GLU N 17226 1 13 . 1 1 24 24 ALA H H 1 . 1 1 24 24 ALA N N 15 0.756920415225 0.0144175317186 . . 1 24 ALA H 1 24 ALA N 17226 1 14 . 1 1 25 25 ILE H H 1 . 1 1 25 25 ILE N N 15 0.746773475745 0.0222518914108 . . 1 25 ILE H 1 25 ILE N 17226 1 15 . 1 1 26 26 GLU H H 1 . 1 1 26 26 GLU N N 15 0.716403634625 0.0239120038259 . . 1 26 GLU H 1 26 GLU N 17226 1 16 . 1 1 28 28 VAL H H 1 . 1 1 28 28 VAL N N 15 0.771769383698 0.0198807157058 . . 1 28 VAL H 1 28 VAL N 17226 1 17 . 1 1 30 30 GLU H H 1 . 1 1 30 30 GLU N N 15 0.70528602462 0.0181028240406 . . 1 30 GLU H 1 30 GLU N 17226 1 18 . 1 1 31 31 ASP H H 1 . 1 1 31 31 ASP N N 15 0.75644028103 0.0195160031226 . . 1 31 ASP H 1 31 ASP N 17226 1 19 . 1 1 32 32 PHE H H 1 . 1 1 32 32 PHE N N 15 0.785291943829 0.0184774575018 . . 1 32 PHE H 1 32 PHE N 17226 1 20 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.730304293456 0.0208420175073 . . 1 33 TYR H 1 33 TYR N 17226 1 21 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.789494013132 0.0193124758594 . . 1 34 VAL H 1 34 VAL N 17226 1 22 . 1 1 35 35 ARG H H 1 . 1 1 35 35 ARG N N 15 0.788048552754 0.0233426704015 . . 1 35 ARG H 1 35 ARG N 17226 1 23 . 1 1 36 36 VAL H H 1 . 1 1 36 36 VAL N N 15 0.759488272921 0.0213219616205 . . 1 36 VAL H 1 36 VAL N 17226 1 24 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.774823431658 0.020772746157 . . 1 37 LEU H 1 37 LEU N 17226 1 25 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.766805266805 0.017325017325 . . 1 38 ALA H 1 38 ALA N 17226 1 26 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 0.783094098884 0.0159489633174 . . 1 39 ASP H 1 39 ASP N 17226 1 27 . 1 1 40 40 ASP H H 1 . 1 1 40 40 ASP N N 15 0.680453635757 0.0166777851901 . . 1 40 ASP H 1 40 ASP N 17226 1 28 . 1 1 41 41 GLN H H 1 . 1 1 41 41 GLN N N 15 0.720729366603 0.0159948816379 . . 1 41 GLN H 1 41 GLN N 17226 1 29 . 1 1 42 42 LEU H H 1 . 1 1 42 42 LEU N N 15 0.694598043386 0.0212675457252 . . 1 42 LEU H 1 42 LEU N 17226 1 30 . 1 1 43 43 SER H H 1 . 1 1 43 43 SER N N 15 0.763897564022 0.0156152404747 . . 1 43 SER H 1 43 SER N 17226 1 31 . 1 1 44 44 ALA H H 1 . 1 1 44 44 ALA N N 15 0.757955936353 0.015299877601 . . 1 44 ALA H 1 44 ALA N 17226 1 32 . 1 1 45 45 PHE H H 1 . 1 1 45 45 PHE N N 15 0.797359735974 0.016501650165 . . 1 45 PHE H 1 45 PHE N 17226 1 33 . 1 1 46 46 PHE H H 1 . 1 1 46 46 PHE N N 15 0.775100401606 0.0223114680946 . . 1 46 PHE H 1 46 PHE N 17226 1 34 . 1 1 47 47 SER H H 1 . 1 1 47 47 SER N N 15 0.774677608441 0.0117233294256 . . 1 47 SER H 1 47 SER N 17226 1 35 . 1 1 49 49 THR H H 1 . 1 1 49 49 THR N N 15 0.760115606936 0.0160565189467 . . 1 49 THR H 1 49 THR N 17226 1 36 . 1 1 51 51 MET H H 1 . 1 1 51 51 MET N N 15 0.79117147708 0.0424448217317 . . 1 51 MET H 1 51 MET N 17226 1 37 . 1 1 52 52 SER H H 1 . 1 1 52 52 SER N N 15 0.672752808989 0.0351123595506 . . 1 52 SER H 1 52 SER N 17226 1 38 . 1 1 53 53 ARG H H 1 . 1 1 53 53 ARG N N 15 0.789055973266 0.0208855472013 . . 1 53 ARG H 1 53 ARG N 17226 1 39 . 1 1 55 55 LYS H H 1 . 1 1 55 55 LYS N N 15 0.719534883721 0.0232558139535 . . 1 55 LYS H 1 55 LYS N 17226 1 40 . 1 1 56 56 GLY H H 1 . 1 1 56 56 GLY N N 15 0.779164873009 0.0215238915196 . . 1 56 GLY H 1 56 GLY N 17226 1 41 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.796574770259 0.0208855472013 . . 1 58 GLN H 1 58 GLN N 17226 1 42 . 1 1 59 59 VAL H H 1 . 1 1 59 59 VAL N N 15 0.757467677218 0.0222915737851 . . 1 59 VAL H 1 59 VAL N 17226 1 43 . 1 1 60 60 GLU H H 1 . 1 1 60 60 GLU N N 15 0.741071428571 0.0186011904762 . . 1 60 GLU H 1 60 GLU N 17226 1 44 . 1 1 61 61 PHE H H 1 . 1 1 61 61 PHE N N 15 0.71683991684 0.02079002079 . . 1 61 PHE H 1 61 PHE N 17226 1 45 . 1 1 62 62 PHE H H 1 . 1 1 62 62 PHE N N 15 0.720188902007 0.0196772924046 . . 1 62 PHE H 1 62 PHE N 17226 1 46 . 1 1 63 63 ALA H H 1 . 1 1 63 63 ALA N N 15 0.753908692933 0.0156347717323 . . 1 63 ALA H 1 63 ALA N 17226 1 47 . 1 1 64 64 ALA H H 1 . 1 1 64 64 ALA N N 15 0.722691917484 0.0169090294217 . . 1 64 ALA H 1 64 ALA N 17226 1 48 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.783393501805 0.0225631768953 . . 1 66 LEU H 1 66 LEU N 17226 1 49 . 1 1 67 67 GLY H H 1 . 1 1 67 67 GLY N N 15 0.796271637816 0.0221926320462 . . 1 67 GLY H 1 67 GLY N 17226 1 50 . 1 1 68 68 GLY H H 1 . 1 1 68 68 GLY N N 15 0.719647822057 0.0231696014829 . . 1 68 GLY H 1 68 GLY N 17226 1 51 . 1 1 70 70 GLU H H 1 . 1 1 70 70 GLU N N 15 0.706046141607 0.0198886237072 . . 1 70 GLU H 1 70 GLU N 17226 1 52 . 1 1 72 72 TYR H H 1 . 1 1 72 72 TYR N N 15 0.687100413689 0.0188040616773 . . 1 72 TYR H 1 72 TYR N 17226 1 53 . 1 1 73 73 THR H H 1 . 1 1 73 73 THR N N 15 0.685897435897 0.0291375291375 . . 1 73 THR H 1 73 THR N 17226 1 54 . 1 1 75 75 ALA H H 1 . 1 1 75 75 ALA N N 15 0.726516052319 0.0198176773682 . . 1 75 ALA H 1 75 ALA N 17226 1 55 . 1 1 77 77 MET H H 1 . 1 1 77 77 MET N N 15 0.795131845842 0.0338066260987 . . 1 77 MET H 1 77 MET N 17226 1 56 . 1 1 78 78 LYS H H 1 . 1 1 78 78 LYS N N 15 0.807734204793 0.0272331154684 . . 1 78 LYS H 1 78 LYS N 17226 1 57 . 1 1 79 79 GLN H H 1 . 1 1 79 79 GLN N N 15 0.590052015605 0.0162548764629 . . 1 79 GLN H 1 79 GLN N 17226 1 58 . 1 1 80 80 VAL H H 1 . 1 1 80 80 VAL N N 15 0.597272362615 0.0200561572403 . . 1 80 VAL H 1 80 VAL N 17226 1 59 . 1 1 81 81 HIS H H 1 . 1 1 81 81 HIS N N 15 0.61815920398 0.0310945273632 . . 1 81 HIS H 1 81 HIS N 17226 1 60 . 1 1 82 82 GLN H H 1 . 1 1 82 82 GLN N N 15 0.7264 0.016 . . 1 82 GLN H 1 82 GLN N 17226 1 61 . 1 1 83 83 GLY H H 1 . 1 1 83 83 GLY N N 15 0.7225 0.0208333333333 . . 1 83 GLY H 1 83 GLY N 17226 1 62 . 1 1 84 84 ARG H H 1 . 1 1 84 84 ARG N N 15 0.778227848101 0.0253164556962 . . 1 84 ARG H 1 84 ARG N 17226 1 63 . 1 1 85 85 GLY H H 1 . 1 1 85 85 GLY N N 15 0.777610818933 0.0187828700225 . . 1 85 GLY H 1 85 GLY N 17226 1 64 . 1 1 86 86 ILE H H 1 . 1 1 86 86 ILE N N 15 0.761793826441 0.0291205591147 . . 1 86 ILE H 1 86 ILE N 17226 1 65 . 1 1 87 87 THR H H 1 . 1 1 87 87 THR N N 15 0.786469344609 0.0176180408739 . . 1 87 THR H 1 87 THR N 17226 1 66 . 1 1 90 90 HIS H H 1 . 1 1 90 90 HIS N N 15 0.745206646783 0.021303792075 . . 1 90 HIS H 1 90 HIS N 17226 1 67 . 1 1 91 91 PHE H H 1 . 1 1 91 91 PHE N N 15 0.766950488805 0.0157678965626 . . 1 91 PHE H 1 91 PHE N 17226 1 68 . 1 1 92 92 SER H H 1 . 1 1 92 92 SER N N 15 0.760030864198 0.0192901234568 . . 1 92 SER H 1 92 SER N 17226 1 69 . 1 1 93 93 LEU H H 1 . 1 1 93 93 LEU N N 15 0.744486692015 0.0190114068441 . . 1 93 LEU H 1 93 LEU N 17226 1 70 . 1 1 94 94 VAL H H 1 . 1 1 94 94 VAL N N 15 0.745587745588 0.01665001665 . . 1 94 VAL H 1 94 VAL N 17226 1 71 . 1 1 95 95 ALA H H 1 . 1 1 95 95 ALA N N 15 0.779382270357 0.0200561572403 . . 1 95 ALA H 1 95 ALA N 17226 1 72 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.819863013699 0.0171232876712 . . 1 96 GLY H 1 96 GLY N 17226 1 73 . 1 1 97 97 HIS H H 1 . 1 1 97 97 HIS N N 15 0.713960546282 0.0189681335357 . . 1 97 HIS H 1 97 HIS N 17226 1 74 . 1 1 98 98 LEU H H 1 . 1 1 98 98 LEU N N 15 0.717341040462 0.014450867052 . . 1 98 LEU H 1 98 LEU N 17226 1 75 . 1 1 99 99 ALA H H 1 . 1 1 99 99 ALA N N 15 0.737699355277 0.0169664065151 . . 1 99 ALA H 1 99 ALA N 17226 1 76 . 1 1 100 100 ASP H H 1 . 1 1 100 100 ASP N N 15 0.762655045256 0.0167616493463 . . 1 100 ASP H 1 100 ASP N 17226 1 77 . 1 1 101 101 ALA H H 1 . 1 1 101 101 ALA N N 15 0.755515533543 0.02251238181 . . 1 101 ALA H 1 101 ALA N 17226 1 78 . 1 1 102 102 LEU H H 1 . 1 1 102 102 LEU N N 15 0.712801330008 0.0207813798836 . . 1 102 LEU H 1 102 LEU N 17226 1 79 . 1 1 103 103 THR H H 1 . 1 1 103 103 THR N N 15 0.821220484514 0.0153327200245 . . 1 103 THR H 1 103 THR N 17226 1 80 . 1 1 104 104 ALA H H 1 . 1 1 104 104 ALA N N 15 0.738660258336 0.015019525383 . . 1 104 ALA H 1 104 ALA N 17226 1 81 . 1 1 105 105 ALA H H 1 . 1 1 105 105 ALA N N 15 0.783973412112 0.0184638109306 . . 1 105 ALA H 1 105 ALA N 17226 1 82 . 1 1 106 106 GLY H H 1 . 1 1 106 106 GLY N N 15 0.792836398838 0.0242013552759 . . 1 106 GLY H 1 106 GLY N 17226 1 83 . 1 1 112 112 ILE H H 1 . 1 1 112 112 ILE N N 15 0.807939287799 0.0145942790426 . . 1 112 ILE H 1 112 ILE N 17226 1 84 . 1 1 114 114 GLU H H 1 . 1 1 114 114 GLU N N 15 0.799939558779 0.0151103052282 . . 1 114 GLU H 1 114 GLU N 17226 1 85 . 1 1 115 115 ILE H H 1 . 1 1 115 115 ILE N N 15 0.76875483372 0.0193348801237 . . 1 115 ILE H 1 115 ILE N 17226 1 86 . 1 1 116 116 LEU H H 1 . 1 1 116 116 LEU N N 15 0.782345305063 0.0216356555604 . . 1 116 LEU H 1 116 LEU N 17226 1 87 . 1 1 117 117 GLY H H 1 . 1 1 117 117 GLY N N 15 0.814726840855 0.0169664065151 . . 1 117 GLY H 1 117 GLY N 17226 1 88 . 1 1 118 118 VAL H H 1 . 1 1 118 118 VAL N N 15 0.785583607757 0.0182949140139 . . 1 118 VAL H 1 118 VAL N 17226 1 89 . 1 1 119 119 ILE H H 1 . 1 1 119 119 ILE N N 15 0.732347328244 0.0238549618321 . . 1 119 ILE H 1 119 ILE N 17226 1 90 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.740778001341 0.0167672702884 . . 1 120 ALA H 1 120 ALA N 17226 1 91 . 1 1 122 122 LEU H H 1 . 1 1 122 122 LEU N N 15 0.750441852245 0.0176740897844 . . 1 122 LEU H 1 122 LEU N 17226 1 92 . 1 1 123 123 ALA H H 1 . 1 1 123 123 ALA N N 15 0.743043725156 0.0141964792731 . . 1 123 ALA H 1 123 ALA N 17226 1 93 . 1 1 124 124 VAL H H 1 . 1 1 124 124 VAL N N 15 0.729288975864 0.0163078930202 . . 1 124 VAL H 1 124 VAL N 17226 1 94 . 1 1 125 125 ASP H H 1 . 1 1 125 125 ASP N N 15 0.676461091379 0.0161446561188 . . 1 125 ASP H 1 125 ASP N 17226 1 95 . 1 1 126 126 VAL H H 1 . 1 1 126 126 VAL N N 15 0.733057423694 0.0258665287118 . . 1 126 VAL H 1 126 VAL N 17226 1 96 . 1 1 127 127 THR H H 1 . 1 1 127 127 THR N N 15 0.709734513274 0.0221238938053 . . 1 127 THR H 1 127 THR N 17226 1 97 . 1 1 129 129 GLY H H 1 . 1 1 129 129 GLY N N 15 0.433164128596 0.0423011844332 . . 1 129 GLY H 1 129 GLY N 17226 1 98 . 1 1 130 130 GLU H H 1 . 1 1 130 130 GLU N N 15 0.236031518625 0.0179083094556 . . 1 130 GLU H 1 130 GLU N 17226 1 99 . 1 1 133 133 THR H H 1 . 1 1 133 133 THR N N 15 -0.8233562316 0.0490677134446 . . 1 133 THR H 1 133 THR N 17226 1 100 . 1 1 134 134 ALA H H 1 . 1 1 134 134 ALA N N 15 -1.09889893826 0.00983090837593 . . 1 134 ALA H 1 134 ALA N 17226 1 101 . 1 1 136 136 VAL H H 1 . 1 1 136 136 VAL N N 15 -1.78342225315 0.00386607902266 . . 1 136 VAL H 1 136 VAL N 17226 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 17226 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 2.00E+07 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 17226 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 4 $NMRView . . 17226 2 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 7 7 LEU H H 1 . 1 1 7 7 LEU N N 15 0.0221625251847 0.0282068502351 . . 1 7 LEU H 1 7 LEU N 17226 2 2 . 1 1 11 11 GLU H H 1 . 1 1 11 11 GLU N N 15 0.243608297154 0.0202604920405 . . 1 11 GLU H 1 11 GLU N 17226 2 3 . 1 1 13 13 ILE H H 1 . 1 1 13 13 ILE N N 15 0.350351461339 0.015538290788 . . 1 13 ILE H 1 13 ILE N 17226 2 4 . 1 1 14 14 SER H H 1 . 1 1 14 14 SER N N 15 0.540298507463 0.0208955223881 . . 1 14 SER H 1 14 SER N 17226 2 5 . 1 1 15 15 ILE H H 1 . 1 1 15 15 ILE N N 15 0.810163551402 0.0245327102804 . . 1 15 ILE H 1 15 ILE N 17226 2 6 . 1 1 16 16 TYR H H 1 . 1 1 16 16 TYR N N 15 0.793013555787 0.021897810219 . . 1 16 TYR H 1 16 TYR N 17226 2 7 . 1 1 17 17 ASP H H 1 . 1 1 17 17 ASP N N 15 0.748452696729 0.0185676392573 . . 1 17 ASP H 1 17 ASP N 17226 2 8 . 1 1 19 19 ILE H H 1 . 1 1 19 19 ILE N N 15 0.695936478281 0.0196170014012 . . 1 19 ILE H 1 19 ILE N 17226 2 9 . 1 1 20 20 GLY H H 1 . 1 1 20 20 GLY N N 15 0.756524981357 0.0156599552573 . . 1 20 GLY H 1 20 GLY N 17226 2 10 . 1 1 21 21 GLY H H 1 . 1 1 21 21 GLY N N 15 0.784224497535 0.0159271899886 . . 1 21 GLY H 1 21 GLY N 17226 2 11 . 1 1 22 22 HIS H H 1 . 1 1 22 22 HIS N N 15 0.748185117967 0.019056261343 . . 1 22 HIS H 1 22 HIS N 17226 2 12 . 1 1 23 23 GLU H H 1 . 1 1 23 23 GLU N N 15 0.788532883642 0.0141652613828 . . 1 23 GLU H 1 23 GLU N 17226 2 13 . 1 1 24 24 ALA H H 1 . 1 1 24 24 ALA N N 15 0.743902439024 0.0116407982262 . . 1 24 ALA H 1 24 ALA N 17226 2 14 . 1 1 25 25 ILE H H 1 . 1 1 25 25 ILE N N 15 0.754774305556 0.0182291666667 . . 1 25 ILE H 1 25 ILE N 17226 2 15 . 1 1 26 26 GLU H H 1 . 1 1 26 26 GLU N N 15 0.777777777778 0.0209267563528 . . 1 26 GLU H 1 26 GLU N 17226 2 16 . 1 1 28 28 VAL H H 1 . 1 1 28 28 VAL N N 15 0.763871506049 0.017521902378 . . 1 28 VAL H 1 28 VAL N 17226 2 17 . 1 1 30 30 GLU H H 1 . 1 1 30 30 GLU N N 15 0.815033161385 0.0154753131909 . . 1 30 GLU H 1 30 GLU N 17226 2 18 . 1 1 31 31 ASP H H 1 . 1 1 31 31 ASP N N 15 0.806587514362 0.0160857908847 . . 1 31 ASP H 1 31 ASP N 17226 2 19 . 1 1 32 32 PHE H H 1 . 1 1 32 32 PHE N N 15 0.786027944112 0.0167664670659 . . 1 32 PHE H 1 32 PHE N 17226 2 20 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.777425742574 0.0166336633663 . . 1 33 TYR H 1 33 TYR N 17226 2 21 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.810589907605 0.0149253731343 . . 1 34 VAL H 1 34 VAL N 17226 2 22 . 1 1 35 35 ARG H H 1 . 1 1 35 35 ARG N N 15 0.786745964316 0.017841971113 . . 1 35 ARG H 1 35 ARG N 17226 2 23 . 1 1 36 36 VAL H H 1 . 1 1 36 36 VAL N N 15 0.777471445451 0.0165419456479 . . 1 36 VAL H 1 36 VAL N 17226 2 24 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.754951456311 0.0163106796117 . . 1 37 LEU H 1 37 LEU N 17226 2 25 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.793281653747 0.0135658914729 . . 1 38 ALA H 1 38 ALA N 17226 2 26 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 0.792724992161 0.0131702728128 . . 1 39 ASP H 1 39 ASP N 17226 2 27 . 1 1 40 40 ASP H H 1 . 1 1 40 40 ASP N N 15 0.791907514451 0.0134874759152 . . 1 40 ASP H 1 40 ASP N 17226 2 28 . 1 1 41 41 GLN H H 1 . 1 1 41 41 GLN N N 15 0.793964016251 0.0121880441091 . . 1 41 GLN H 1 41 GLN N 17226 2 29 . 1 1 42 42 LEU H H 1 . 1 1 42 42 LEU N N 15 0.762837249782 0.0182767624021 . . 1 42 LEU H 1 42 LEU N 17226 2 30 . 1 1 43 43 SER H H 1 . 1 1 43 43 SER N N 15 0.734888951364 0.0118077031206 . . 1 43 SER H 1 43 SER N 17226 2 31 . 1 1 44 44 ALA H H 1 . 1 1 44 44 ALA N N 15 0.75344391341 0.0118077031206 . . 1 44 ALA H 1 44 ALA N 17226 2 32 . 1 1 45 45 PHE H H 1 . 1 1 45 45 PHE N N 15 0.80889163322 0.0129669651127 . . 1 45 PHE H 1 45 PHE N 17226 2 33 . 1 1 46 46 PHE H H 1 . 1 1 46 46 PHE N N 15 0.757411273486 0.0175365344468 . . 1 46 PHE H 1 46 PHE N 17226 2 34 . 1 1 47 47 SER H H 1 . 1 1 47 47 SER N N 15 0.771440553575 0.00880687775215 . . 1 47 SER H 1 47 SER N 17226 2 35 . 1 1 49 49 THR H H 1 . 1 1 49 49 THR N N 15 0.783814374646 0.0118845500849 . . 1 49 THR H 1 49 THR N 17226 2 36 . 1 1 51 51 MET H H 1 . 1 1 51 51 MET N N 15 0.785195936139 0.0304789550073 . . 1 51 MET H 1 51 MET N 17226 2 37 . 1 1 52 52 SER H H 1 . 1 1 52 52 SER N N 15 0.790849673203 0.0274509803922 . . 1 52 SER H 1 52 SER N 17226 2 38 . 1 1 53 53 ARG H H 1 . 1 1 53 53 ARG N N 15 0.767557251908 0.0160305343511 . . 1 53 ARG H 1 53 ARG N 17226 2 39 . 1 1 55 55 LYS H H 1 . 1 1 55 55 LYS N N 15 0.748852732582 0.017521902378 . . 1 55 LYS H 1 55 LYS N 17226 2 40 . 1 1 56 56 GLY H H 1 . 1 1 56 56 GLY N N 15 0.774706867672 0.0175879396985 . . 1 56 GLY H 1 56 GLY N 17226 2 41 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.782051282051 0.0168269230769 . . 1 58 GLN H 1 58 GLN N 17226 2 42 . 1 1 59 59 VAL H H 1 . 1 1 59 59 VAL N N 15 0.799212598425 0.0165354330709 . . 1 59 VAL H 1 59 VAL N 17226 2 43 . 1 1 60 60 GLU H H 1 . 1 1 60 60 GLU N N 15 0.795008912656 0.0149732620321 . . 1 60 GLU H 1 60 GLU N 17226 2 44 . 1 1 61 61 PHE H H 1 . 1 1 61 61 PHE N N 15 0.77647489923 0.0153902528399 . . 1 61 PHE H 1 61 PHE N 17226 2 45 . 1 1 62 62 PHE H H 1 . 1 1 62 62 PHE N N 15 0.762977099237 0.0160305343511 . . 1 62 PHE H 1 62 PHE N 17226 2 46 . 1 1 63 63 ALA H H 1 . 1 1 63 63 ALA N N 15 0.77368586717 0.0132200188857 . . 1 63 ALA H 1 63 ALA N 17226 2 47 . 1 1 64 64 ALA H H 1 . 1 1 64 64 ALA N N 15 0.728808353808 0.0128992628993 . . 1 64 ALA H 1 64 ALA N 17226 2 48 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.790636042403 0.0185512367491 . . 1 66 LEU H 1 66 LEU N 17226 2 49 . 1 1 67 67 GLY H H 1 . 1 1 67 67 GLY N N 15 0.77687366167 0.0179871520343 . . 1 67 GLY H 1 67 GLY N 17226 2 50 . 1 1 68 68 GLY H H 1 . 1 1 68 68 GLY N N 15 0.784725136383 0.0176248426353 . . 1 68 GLY H 1 68 GLY N 17226 2 51 . 1 1 70 70 GLU H H 1 . 1 1 70 70 GLU N N 15 0.747181266262 0.0182133564614 . . 1 70 GLU H 1 70 GLU N 17226 2 52 . 1 1 72 72 TYR H H 1 . 1 1 72 72 TYR N N 15 0.683625336927 0.0141509433962 . . 1 72 TYR H 1 72 TYR N 17226 2 53 . 1 1 73 73 THR H H 1 . 1 1 73 73 THR N N 15 0.794676806084 0.0228136882129 . . 1 73 THR H 1 73 THR N 17226 2 54 . 1 1 75 75 ALA H H 1 . 1 1 75 75 ALA N N 15 0.709556057186 0.0158013544018 . . 1 75 ALA H 1 75 ALA N 17226 2 55 . 1 1 77 77 MET H H 1 . 1 1 77 77 MET N N 15 0.801219512195 0.0256097560976 . . 1 77 MET H 1 77 MET N 17226 2 56 . 1 1 78 78 LYS H H 1 . 1 1 78 78 LYS N N 15 0.765266106443 0.0235294117647 . . 1 78 LYS H 1 78 LYS N 17226 2 57 . 1 1 79 79 GLN H H 1 . 1 1 79 79 GLN N N 15 0.632375656472 0.0129749768304 . . 1 79 GLN H 1 79 GLN N 17226 2 58 . 1 1 80 80 VAL H H 1 . 1 1 80 80 VAL N N 15 0.712103407756 0.0164512338425 . . 1 80 VAL H 1 80 VAL N 17226 2 59 . 1 1 81 81 HIS H H 1 . 1 1 81 81 HIS N N 15 0.755150554675 0.0332805071315 . . 1 81 HIS H 1 81 HIS N 17226 2 60 . 1 1 82 82 GLN H H 1 . 1 1 82 82 GLN N N 15 0.753938248267 0.0132325141777 . . 1 82 GLN H 1 82 GLN N 17226 2 61 . 1 1 83 83 GLY H H 1 . 1 1 83 83 GLY N N 15 0.720527617477 0.0173124484749 . . 1 83 GLY H 1 83 GLY N 17226 2 62 . 1 1 84 84 ARG H H 1 . 1 1 84 84 ARG N N 15 0.776249426868 0.019257221458 . . 1 84 ARG H 1 84 ARG N 17226 2 63 . 1 1 85 85 GLY H H 1 . 1 1 85 85 GLY N N 15 0.809813463098 0.0170316301703 . . 1 85 GLY H 1 85 GLY N 17226 2 64 . 1 1 86 86 ILE H H 1 . 1 1 86 86 ILE N N 15 0.760747663551 0.0261682242991 . . 1 86 ILE H 1 86 ILE N 17226 2 65 . 1 1 87 87 THR H H 1 . 1 1 87 87 THR N N 15 0.749523204069 0.0133502860776 . . 1 87 THR H 1 87 THR N 17226 2 66 . 1 1 90 90 HIS H H 1 . 1 1 90 90 HIS N N 15 0.80561043066 0.016594231529 . . 1 90 HIS H 1 90 HIS N 17226 2 67 . 1 1 91 91 PHE H H 1 . 1 1 91 91 PHE N N 15 0.786308973173 0.0129509713228 . . 1 91 PHE H 1 91 PHE N 17226 2 68 . 1 1 92 92 SER H H 1 . 1 1 92 92 SER N N 15 0.802631578947 0.016253869969 . . 1 92 SER H 1 92 SER N 17226 2 69 . 1 1 93 93 LEU H H 1 . 1 1 93 93 LEU N N 15 0.830343213729 0.0163806552262 . . 1 93 LEU H 1 93 LEU N 17226 2 70 . 1 1 94 94 VAL H H 1 . 1 1 94 94 VAL N N 15 0.78177616375 0.0138659623638 . . 1 94 VAL H 1 94 VAL N 17226 2 71 . 1 1 95 95 ALA H H 1 . 1 1 95 95 ALA N N 15 0.820900900901 0.0151351351351 . . 1 95 ALA H 1 95 ALA N 17226 2 72 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.757691087853 0.0133206470029 . . 1 96 GLY H 1 96 GLY N 17226 2 73 . 1 1 97 97 HIS H H 1 . 1 1 97 97 HIS N N 15 0.783987316686 0.0166468489893 . . 1 97 HIS H 1 97 HIS N 17226 2 74 . 1 1 98 98 LEU H H 1 . 1 1 98 98 LEU N N 15 0.753904146473 0.0113085621971 . . 1 98 LEU H 1 98 LEU N 17226 2 75 . 1 1 99 99 ALA H H 1 . 1 1 99 99 ALA N N 15 0.774146054181 0.0123674911661 . . 1 99 ALA H 1 99 ALA N 17226 2 76 . 1 1 100 100 ASP H H 1 . 1 1 100 100 ASP N N 15 0.778582202112 0.0126696832579 . . 1 100 ASP H 1 100 ASP N 17226 2 77 . 1 1 101 101 ALA H H 1 . 1 1 101 101 ALA N N 15 0.759493670886 0.0177215189873 . . 1 101 ALA H 1 101 ALA N 17226 2 78 . 1 1 102 102 LEU H H 1 . 1 1 102 102 LEU N N 15 0.774460431655 0.0151079136691 . . 1 102 LEU H 1 102 LEU N 17226 2 79 . 1 1 103 103 THR H H 1 . 1 1 103 103 THR N N 15 0.777746793084 0.0117122141662 . . 1 103 THR H 1 103 THR N 17226 2 80 . 1 1 104 104 ALA H H 1 . 1 1 104 104 ALA N N 15 0.786605206074 0.0113882863341 . . 1 104 ALA H 1 104 ALA N 17226 2 81 . 1 1 105 105 ALA H H 1 . 1 1 105 105 ALA N N 15 0.767013888889 0.0145833333333 . . 1 105 ALA H 1 105 ALA N 17226 2 82 . 1 1 106 106 GLY H H 1 . 1 1 106 106 GLY N N 15 0.732595666206 0.0193637621024 . . 1 106 GLY H 1 106 GLY N 17226 2 83 . 1 1 112 112 ILE H H 1 . 1 1 112 112 ILE N N 15 0.796528173022 0.0119521912351 . . 1 112 ILE H 1 112 ILE N 17226 2 84 . 1 1 114 114 GLU H H 1 . 1 1 114 114 GLU N N 15 0.783571220507 0.0122341974949 . . 1 114 GLU H 1 114 GLU N 17226 2 85 . 1 1 115 115 ILE H H 1 . 1 1 115 115 ILE N N 15 0.768206734534 0.0164447924824 . . 1 115 ILE H 1 115 ILE N 17226 2 86 . 1 1 116 116 LEU H H 1 . 1 1 116 116 LEU N N 15 0.798279906177 0.0164190774042 . . 1 116 LEU H 1 116 LEU N 17226 2 87 . 1 1 117 117 GLY H H 1 . 1 1 117 117 GLY N N 15 0.803262642741 0.0137030995106 . . 1 117 GLY H 1 117 GLY N 17226 2 88 . 1 1 118 118 VAL H H 1 . 1 1 118 118 VAL N N 15 0.772036474164 0.0141843971631 . . 1 118 VAL H 1 118 VAL N 17226 2 89 . 1 1 119 119 ILE H H 1 . 1 1 119 119 ILE N N 15 0.74734900876 0.0193637621024 . . 1 119 ILE H 1 119 ILE N 17226 2 90 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.751068727392 0.0138112463006 . . 1 120 ALA H 1 120 ALA N 17226 2 91 . 1 1 122 122 LEU H H 1 . 1 1 122 122 LEU N N 15 0.810356892932 0.0146955913226 . . 1 122 LEU H 1 122 LEU N 17226 2 92 . 1 1 123 123 ALA H H 1 . 1 1 123 123 ALA N N 15 0.796595245084 0.012327560904 . . 1 123 ALA H 1 123 ALA N 17226 2 93 . 1 1 124 124 VAL H H 1 . 1 1 124 124 VAL N N 15 0.678384212149 0.0129509713228 . . 1 124 VAL H 1 124 VAL N 17226 2 94 . 1 1 125 125 ASP H H 1 . 1 1 125 125 ASP N N 15 0.658854166667 0.013671875 . . 1 125 ASP H 1 125 ASP N 17226 2 95 . 1 1 126 126 VAL H H 1 . 1 1 126 126 VAL N N 15 0.724938271605 0.0207407407407 . . 1 126 VAL H 1 126 VAL N 17226 2 96 . 1 1 127 127 THR H H 1 . 1 1 127 127 THR N N 15 0.743326488706 0.0172484599589 . . 1 127 THR H 1 127 THR N 17226 2 97 . 1 1 129 129 GLY H H 1 . 1 1 129 129 GLY N N 15 0.54845814978 0.0308370044053 . . 1 129 GLY H 1 129 GLY N 17226 2 98 . 1 1 130 130 GLU H H 1 . 1 1 130 130 GLU N N 15 0.325301204819 0.0129749768304 . . 1 130 GLU H 1 130 GLU N 17226 2 99 . 1 1 133 133 THR H H 1 . 1 1 133 133 THR N N 15 -0.373913043478 0.0280936454849 . . 1 133 THR H 1 133 THR N 17226 2 100 . 1 1 134 134 ALA H H 1 . 1 1 134 134 ALA N N 15 -0.70644312952 0.0069033530572 . . 1 134 ALA H 1 134 ALA N 17226 2 101 . 1 1 136 136 VAL H H 1 . 1 1 136 136 VAL N N 15 -1.53641444899 0.00350379577876 . . 1 136 VAL H 1 136 VAL N 17226 2 stop_ save_ save_heteronuclear_noe_list_3 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_3 _Heteronucl_NOE_list.Entry_ID 17226 _Heteronucl_NOE_list.ID 3 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 2.00E+07 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 1 '2D 1H-15N HSQC' . . . 17226 3 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 4 $NMRView . . 17226 3 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 7 7 LEU H H 1 . 1 1 7 7 LEU N N 15 0.314996232102 0.0226073850791 . . 1 7 LEU H 1 7 LEU N 17226 3 2 . 1 1 11 11 GLU H H 1 . 1 1 11 11 GLU N N 15 0.365363735071 0.0162866449511 . . 1 11 GLU H 1 11 GLU N 17226 3 3 . 1 1 13 13 ILE H H 1 . 1 1 13 13 ILE N N 15 0.470540758676 0.0121065375303 . . 1 13 ILE H 1 13 ILE N 17226 3 4 . 1 1 14 14 SER H H 1 . 1 1 14 14 SER N N 15 0.619109947644 0.0196335078534 . . 1 14 SER H 1 14 SER N 17226 3 5 . 1 1 15 15 ILE H H 1 . 1 1 15 15 ILE N N 15 0.810868031052 0.0211714890614 . . 1 15 ILE H 1 15 ILE N 17226 3 6 . 1 1 16 16 TYR H H 1 . 1 1 16 16 TYR N N 15 0.8125 0.01875 . . 1 16 TYR H 1 16 TYR N 17226 3 7 . 1 1 17 17 ASP H H 1 . 1 1 17 17 ASP N N 15 0.844074844075 0.0155925155925 . . 1 17 ASP H 1 17 ASP N 17226 3 8 . 1 1 19 19 ILE H H 1 . 1 1 19 19 ILE N N 15 0.84977324263 0.0170068027211 . . 1 19 ILE H 1 19 ILE N 17226 3 9 . 1 1 20 20 GLY H H 1 . 1 1 20 20 GLY N N 15 0.809300140911 0.0140911225928 . . 1 20 GLY H 1 20 GLY N 17226 3 10 . 1 1 21 21 GLY H H 1 . 1 1 21 21 GLY N N 15 0.836113837095 0.0147203140334 . . 1 21 GLY H 1 21 GLY N 17226 3 11 . 1 1 22 22 HIS H H 1 . 1 1 22 22 HIS N N 15 0.869641808573 0.0176159718144 . . 1 22 HIS H 1 22 HIS N 17226 3 12 . 1 1 23 23 GLU H H 1 . 1 1 23 23 GLU N N 15 0.771222410866 0.0127334465195 . . 1 23 GLU H 1 23 GLU N 17226 3 13 . 1 1 24 24 ALA H H 1 . 1 1 24 24 ALA N N 15 0.788537549407 0.0098814229249 . . 1 24 ALA H 1 24 ALA N 17226 3 14 . 1 1 25 25 ILE H H 1 . 1 1 25 25 ILE N N 15 0.791558103179 0.0156331422616 . . 1 25 ILE H 1 25 ILE N 17226 3 15 . 1 1 26 26 GLU H H 1 . 1 1 26 26 GLU N N 15 0.811023622047 0.0196850393701 . . 1 26 GLU H 1 26 GLU N 17226 3 16 . 1 1 28 28 VAL H H 1 . 1 1 28 28 VAL N N 15 0.823129251701 0.0145772594752 . . 1 28 VAL H 1 28 VAL N 17226 3 17 . 1 1 30 30 GLU H H 1 . 1 1 30 30 GLU N N 15 0.904052165813 0.0139729855612 . . 1 30 GLU H 1 30 GLU N 17226 3 18 . 1 1 31 31 ASP H H 1 . 1 1 31 31 ASP N N 15 0.831996434938 0.0133689839572 . . 1 31 ASP H 1 31 ASP N 17226 3 19 . 1 1 32 32 PHE H H 1 . 1 1 32 32 PHE N N 15 0.841397849462 0.0134408602151 . . 1 32 PHE H 1 32 PHE N 17226 3 20 . 1 1 33 33 TYR H H 1 . 1 1 33 33 TYR N N 15 0.86467308667 0.0152052711607 . . 1 33 TYR H 1 33 TYR N 17226 3 21 . 1 1 34 34 VAL H H 1 . 1 1 34 34 VAL N N 15 0.809178743961 0.012077294686 . . 1 34 VAL H 1 34 VAL N 17226 3 22 . 1 1 35 35 ARG H H 1 . 1 1 35 35 ARG N N 15 0.817382307294 0.0155199172271 . . 1 35 ARG H 1 35 ARG N 17226 3 23 . 1 1 36 36 VAL H H 1 . 1 1 36 36 VAL N N 15 0.805696846389 0.0152594099695 . . 1 36 VAL H 1 36 VAL N 17226 3 24 . 1 1 37 37 LEU H H 1 . 1 1 37 37 LEU N N 15 0.866737176097 0.0158646218932 . . 1 37 LEU H 1 37 LEU N 17226 3 25 . 1 1 38 38 ALA H H 1 . 1 1 38 38 ALA N N 15 0.880068288519 0.0128040973111 . . 1 38 ALA H 1 38 ALA N 17226 3 26 . 1 1 39 39 ASP H H 1 . 1 1 39 39 ASP N N 15 0.841325811001 0.0105782792666 . . 1 39 ASP H 1 39 ASP N 17226 3 27 . 1 1 40 40 ASP H H 1 . 1 1 40 40 ASP N N 15 0.793465577596 0.0116686114352 . . 1 40 ASP H 1 40 ASP N 17226 3 28 . 1 1 41 41 GLN H H 1 . 1 1 41 41 GLN N N 15 0.80317577548 0.0110782865583 . . 1 41 GLN H 1 41 GLN N 17226 3 29 . 1 1 42 42 LEU H H 1 . 1 1 42 42 LEU N N 15 0.796330275229 0.0137614678899 . . 1 42 LEU H 1 42 LEU N 17226 3 30 . 1 1 43 43 SER H H 1 . 1 1 43 43 SER N N 15 0.816104078762 0.0105485232068 . . 1 43 SER H 1 43 SER N 17226 3 31 . 1 1 44 44 ALA H H 1 . 1 1 44 44 ALA N N 15 0.802334337349 0.0112951807229 . . 1 44 ALA H 1 44 ALA N 17226 3 32 . 1 1 45 45 PHE H H 1 . 1 1 45 45 PHE N N 15 0.865963266901 0.0117233294256 . . 1 45 PHE H 1 45 PHE N 17226 3 33 . 1 1 46 46 PHE H H 1 . 1 1 46 46 PHE N N 15 0.848421052632 0.0157894736842 . . 1 46 PHE H 1 46 PHE N 17226 3 34 . 1 1 47 47 SER H H 1 . 1 1 47 47 SER N N 15 0.824823465508 0.00814774579033 . . 1 47 SER H 1 47 SER N 17226 3 35 . 1 1 49 49 THR H H 1 . 1 1 49 49 THR N N 15 0.81036234338 0.0101591601761 . . 1 49 THR H 1 49 THR N 17226 3 36 . 1 1 51 51 MET H H 1 . 1 1 51 51 MET N N 15 0.821976149915 0.0255536626917 . . 1 51 MET H 1 51 MET N 17226 3 37 . 1 1 52 52 SER H H 1 . 1 1 52 52 SER N N 15 0.817453963171 0.0240192153723 . . 1 52 SER H 1 52 SER N 17226 3 38 . 1 1 53 53 ARG H H 1 . 1 1 53 53 ARG N N 15 0.791760977818 0.0135808057945 . . 1 53 ARG H 1 53 ARG N 17226 3 39 . 1 1 55 55 LYS H H 1 . 1 1 55 55 LYS N N 15 0.800870511425 0.0163220892274 . . 1 55 LYS H 1 55 LYS N 17226 3 40 . 1 1 56 56 GLY H H 1 . 1 1 56 56 GLY N N 15 0.831813576494 0.0151975683891 . . 1 56 GLY H 1 56 GLY N 17226 3 41 . 1 1 58 58 GLN H H 1 . 1 1 58 58 GLN N N 15 0.876002137894 0.0160342063068 . . 1 58 GLN H 1 58 GLN N 17226 3 42 . 1 1 59 59 VAL H H 1 . 1 1 59 59 VAL N N 15 0.780203784571 0.0145560407569 . . 1 59 VAL H 1 59 VAL N 17226 3 43 . 1 1 60 60 GLU H H 1 . 1 1 60 60 GLU N N 15 0.823811600523 0.0130832969908 . . 1 60 GLU H 1 60 GLU N 17226 3 44 . 1 1 61 61 PHE H H 1 . 1 1 61 61 PHE N N 15 0.880662445202 0.014612761812 . . 1 61 PHE H 1 61 PHE N 17226 3 45 . 1 1 62 62 PHE H H 1 . 1 1 62 62 PHE N N 15 0.868532206969 0.0158394931362 . . 1 62 PHE H 1 62 PHE N 17226 3 46 . 1 1 63 63 ALA H H 1 . 1 1 63 63 ALA N N 15 0.800256081946 0.0128040973111 . . 1 63 ALA H 1 63 ALA N 17226 3 47 . 1 1 64 64 ALA H H 1 . 1 1 64 64 ALA N N 15 0.830730265935 0.0126635711271 . . 1 64 ALA H 1 64 ALA N 17226 3 48 . 1 1 66 66 LEU H H 1 . 1 1 66 66 LEU N N 15 0.81489036206 0.0152983171851 . . 1 66 LEU H 1 66 LEU N 17226 3 49 . 1 1 67 67 GLY H H 1 . 1 1 67 67 GLY N N 15 0.821853961678 0.0155359917141 . . 1 67 GLY H 1 67 GLY N 17226 3 50 . 1 1 68 68 GLY H H 1 . 1 1 68 68 GLY N N 15 0.832139201638 0.0153531218014 . . 1 68 GLY H 1 68 GLY N 17226 3 51 . 1 1 70 70 GLU H H 1 . 1 1 70 70 GLU N N 15 0.765339578454 0.0140515222482 . . 1 70 GLU H 1 70 GLU N 17226 3 52 . 1 1 72 72 TYR H H 1 . 1 1 72 72 TYR N N 15 0.72516286645 0.0122149837134 . . 1 72 TYR H 1 72 TYR N 17226 3 53 . 1 1 73 73 THR H H 1 . 1 1 73 73 THR N N 15 0.749666221629 0.0200267022697 . . 1 73 THR H 1 73 THR N 17226 3 54 . 1 1 75 75 ALA H H 1 . 1 1 75 75 ALA N N 15 0.759340126152 0.0145560407569 . . 1 75 ALA H 1 75 ALA N 17226 3 55 . 1 1 77 77 MET H H 1 . 1 1 77 77 MET N N 15 0.86468401487 0.0223048327138 . . 1 77 MET H 1 77 MET N 17226 3 56 . 1 1 78 78 LYS H H 1 . 1 1 78 78 LYS N N 15 0.790178571429 0.0223214285714 . . 1 78 LYS H 1 78 LYS N 17226 3 57 . 1 1 79 79 GLN H H 1 . 1 1 79 79 GLN N N 15 0.668639053254 0.0118343195266 . . 1 79 GLN H 1 79 GLN N 17226 3 58 . 1 1 80 80 VAL H H 1 . 1 1 80 80 VAL N N 15 0.773303916161 0.0165471594043 . . 1 80 VAL H 1 80 VAL N 17226 3 59 . 1 1 81 81 HIS H H 1 . 1 1 81 81 HIS N N 15 0.756291390728 0.0397350993377 . . 1 81 HIS H 1 81 HIS N 17226 3 60 . 1 1 82 82 GLN H H 1 . 1 1 82 82 GLN N N 15 0.769739561802 0.0124018189334 . . 1 82 GLN H 1 82 GLN N 17226 3 61 . 1 1 83 83 GLY H H 1 . 1 1 83 83 GLY N N 15 0.77626459144 0.0145914396887 . . 1 83 GLY H 1 83 GLY N 17226 3 62 . 1 1 84 84 ARG H H 1 . 1 1 84 84 ARG N N 15 0.858147713951 0.0175849941383 . . 1 84 ARG H 1 84 ARG N 17226 3 63 . 1 1 85 85 GLY H H 1 . 1 1 85 85 GLY N N 15 0.830384117393 0.0129477772982 . . 1 85 GLY H 1 85 GLY N 17226 3 64 . 1 1 86 86 ILE H H 1 . 1 1 86 86 ILE N N 15 0.850678733032 0.0226244343891 . . 1 86 ILE H 1 86 ILE N 17226 3 65 . 1 1 87 87 THR H H 1 . 1 1 87 87 THR N N 15 0.828232593726 0.0114766641163 . . 1 87 THR H 1 87 THR N 17226 3 66 . 1 1 90 90 HIS H H 1 . 1 1 90 90 HIS N N 15 0.821850393701 0.0147637795276 . . 1 90 HIS H 1 90 HIS N 17226 3 67 . 1 1 91 91 PHE H H 1 . 1 1 91 91 PHE N N 15 0.850704225352 0.0105633802817 . . 1 91 PHE H 1 91 PHE N 17226 3 68 . 1 1 92 92 SER H H 1 . 1 1 92 92 SER N N 15 0.884395813511 0.0142721217888 . . 1 92 SER H 1 92 SER N 17226 3 69 . 1 1 93 93 LEU H H 1 . 1 1 93 93 LEU N N 15 0.821734985701 0.0142993326978 . . 1 93 LEU H 1 93 LEU N 17226 3 70 . 1 1 94 94 VAL H H 1 . 1 1 94 94 VAL N N 15 0.784989858012 0.0121703853955 . . 1 94 VAL H 1 94 VAL N 17226 3 71 . 1 1 95 95 ALA H H 1 . 1 1 95 95 ALA N N 15 0.855855855856 0.0135135135135 . . 1 95 ALA H 1 95 ALA N 17226 3 72 . 1 1 96 96 GLY H H 1 . 1 1 96 96 GLY N N 15 0.842725598527 0.0110497237569 . . 1 96 GLY H 1 96 GLY N 17226 3 73 . 1 1 97 97 HIS H H 1 . 1 1 97 97 HIS N N 15 0.843631178707 0.0142585551331 . . 1 97 HIS H 1 97 HIS N 17226 3 74 . 1 1 98 98 LEU H H 1 . 1 1 98 98 LEU N N 15 0.819863680623 0.00973709834469 . . 1 98 LEU H 1 98 LEU N 17226 3 75 . 1 1 99 99 ALA H H 1 . 1 1 99 99 ALA N N 15 0.879932829555 0.0125944584383 . . 1 99 ALA H 1 99 ALA N 17226 3 76 . 1 1 100 100 ASP H H 1 . 1 1 100 100 ASP N N 15 0.830968788002 0.0121605188488 . . 1 100 ASP H 1 100 ASP N 17226 3 77 . 1 1 101 101 ALA H H 1 . 1 1 101 101 ALA N N 15 0.820224719101 0.016051364366 . . 1 101 ALA H 1 101 ALA N 17226 3 78 . 1 1 102 102 LEU H H 1 . 1 1 102 102 LEU N N 15 0.830777096115 0.0153374233129 . . 1 102 LEU H 1 102 LEU N 17226 3 79 . 1 1 103 103 THR H H 1 . 1 1 103 103 THR N N 15 0.87173231091 0.0104566050889 . . 1 103 THR H 1 103 THR N 17226 3 80 . 1 1 104 104 ALA H H 1 . 1 1 104 104 ALA N N 15 0.837883959044 0.0102389078498 . . 1 104 ALA H 1 104 ALA N 17226 3 81 . 1 1 105 105 ALA H H 1 . 1 1 105 105 ALA N N 15 0.768615902398 0.0126209507783 . . 1 105 ALA H 1 105 ALA N 17226 3 82 . 1 1 106 106 GLY H H 1 . 1 1 106 106 GLY N N 15 0.778770949721 0.0167597765363 . . 1 106 GLY H 1 106 GLY N 17226 3 83 . 1 1 112 112 ILE H H 1 . 1 1 112 112 ILE N N 15 0.795212765957 0.00997340425532 . . 1 112 ILE H 1 112 ILE N 17226 3 84 . 1 1 114 114 GLU H H 1 . 1 1 114 114 GLU N N 15 0.874786178584 0.0102634279849 . . 1 114 GLU H 1 114 GLU N 17226 3 85 . 1 1 115 115 ILE H H 1 . 1 1 115 115 ILE N N 15 0.786641929499 0.0139146567718 . . 1 115 ILE H 1 115 ILE N 17226 3 86 . 1 1 116 116 LEU H H 1 . 1 1 116 116 LEU N N 15 0.834877384196 0.016348773842 . . 1 116 LEU H 1 116 LEU N 17226 3 87 . 1 1 117 117 GLY H H 1 . 1 1 117 117 GLY N N 15 0.843182696022 0.0115874855156 . . 1 117 GLY H 1 117 GLY N 17226 3 88 . 1 1 118 118 VAL H H 1 . 1 1 118 118 VAL N N 15 0.850122850123 0.012285012285 . . 1 118 VAL H 1 118 VAL N 17226 3 89 . 1 1 119 119 ILE H H 1 . 1 1 119 119 ILE N N 15 0.849449204406 0.0183598531212 . . 1 119 ILE H 1 119 ILE N 17226 3 90 . 1 1 120 120 ALA H H 1 . 1 1 120 120 ALA N N 15 0.856580673371 0.013117621338 . . 1 120 ALA H 1 120 ALA N 17226 3 91 . 1 1 122 122 LEU H H 1 . 1 1 122 122 LEU N N 15 0.821596244131 0.0128040973111 . . 1 122 LEU H 1 122 LEU N 17226 3 92 . 1 1 123 123 ALA H H 1 . 1 1 123 123 ALA N N 15 0.901587301587 0.0119047619048 . . 1 123 ALA H 1 123 ALA N 17226 3 93 . 1 1 124 124 VAL H H 1 . 1 1 124 124 VAL N N 15 0.756983240223 0.0119712689545 . . 1 124 VAL H 1 124 VAL N 17226 3 94 . 1 1 125 125 ASP H H 1 . 1 1 125 125 ASP N N 15 0.738528481013 0.0118670886076 . . 1 125 ASP H 1 125 ASP N 17226 3 95 . 1 1 126 126 VAL H H 1 . 1 1 126 126 VAL N N 15 0.818825194621 0.0212314225053 . . 1 126 VAL H 1 126 VAL N 17226 3 96 . 1 1 127 127 THR H H 1 . 1 1 127 127 THR N N 15 0.801859099804 0.0146771037182 . . 1 127 THR H 1 127 THR N 17226 3 97 . 1 1 129 129 GLY H H 1 . 1 1 129 129 GLY N N 15 0.604549431321 0.0262467191601 . . 1 129 GLY H 1 129 GLY N 17226 3 98 . 1 1 130 130 GLU H H 1 . 1 1 130 130 GLU N N 15 0.479737553068 0.0115785411038 . . 1 130 GLU H 1 130 GLU N 17226 3 99 . 1 1 133 133 THR H H 1 . 1 1 133 133 THR N N 15 0.00955882352941 0.0220588235294 . . 1 133 THR H 1 133 THR N 17226 3 100 . 1 1 134 134 ALA H H 1 . 1 1 134 134 ALA N N 15 -0.200037009623 0.00555144337528 . . 1 134 ALA H 1 134 ALA N 17226 3 101 . 1 1 136 136 VAL H H 1 . 1 1 136 136 VAL N N 15 -0.65769258907 0.00219474723828 . . 1 136 VAL H 1 136 VAL N 17226 3 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_R1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_R1_list_1 _Heteronucl_T1_list.Entry_ID 17226 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 17226 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 5 $relax . . 17226 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 7 7 LEU H H 1 1.9623313442 0.095411078786251477 . . 7 LEU H 17226 1 2 . 1 1 11 11 GLU H H 1 1.86637540582 0.053152176876133779 . . 11 GLU H 17226 1 3 . 1 1 13 13 ILE H H 1 1.64832584757 0.022980879560627426 . . 13 ILE H 17226 1 4 . 1 1 14 14 SER H H 1 1.68865336717 0.035315426009404939 . . 14 SER H 17226 1 5 . 1 1 15 15 ILE H H 1 1.84353582274 0.045987831240965872 . . 15 ILE H 17226 1 6 . 1 1 16 16 TYR H H 1 1.7667343535 0.040335938432979321 . . 16 TYR H 17226 1 7 . 1 1 17 17 ASP H H 1 1.72270816727 0.030249244987156393 . . 17 ASP H 17226 1 8 . 1 1 19 19 ILE H H 1 1.67187048845 0.032438104947936794 . . 19 ILE H 17226 1 9 . 1 1 20 20 GLY H H 1 1.68026549782 0.027540269858911955 . . 20 GLY H 17226 1 10 . 1 1 21 21 GLY H H 1 1.70465389336 0.025032193048327111 . . 21 GLY H 17226 1 11 . 1 1 22 22 HIS H H 1 1.74120064618 0.031842341231162218 . . 22 HIS H 17226 1 12 . 1 1 23 23 GLU H H 1 1.53703059475 0.021638415144930277 . . 23 GLU H 17226 1 13 . 1 1 24 24 ALA H H 1 1.54026921769 0.014581233125659421 . . 24 ALA H 17226 1 14 . 1 1 25 25 ILE H H 1 1.57090608688 0.023363168721409967 . . 25 ILE H 17226 1 15 . 1 1 26 26 GLU H H 1 1.49908502848 0.025107793924949797 . . 26 GLU H 17226 1 16 . 1 1 28 28 VAL H H 1 1.53363244149 0.020017901597417037 . . 28 VAL H 17226 1 17 . 1 1 30 30 GLU H H 1 1.46795562044 0.018638904015841274 . . 30 GLU H 17226 1 18 . 1 1 31 31 ASP H H 1 1.4854510846 0.020738504820701033 . . 31 ASP H 17226 1 19 . 1 1 32 32 PHE H H 1 1.5419765752 0.023311025107579927 . . 32 PHE H 17226 1 20 . 1 1 33 33 TYR H H 1 1.56003442449 0.025974385374274298 . . 33 TYR H 17226 1 21 . 1 1 34 34 VAL H H 1 1.43250575626 0.019919564283509831 . . 34 VAL H 17226 1 22 . 1 1 35 35 ARG H H 1 1.52413422641 0.026629978745116027 . . 35 ARG H 17226 1 23 . 1 1 36 36 VAL H H 1 1.52325460145 0.023648549421514512 . . 36 VAL H 17226 1 24 . 1 1 37 37 LEU H H 1 1.52115354671 0.023471503123693605 . . 37 LEU H 17226 1 25 . 1 1 38 38 ALA H H 1 1.49369510434 0.020513276024774336 . . 38 ALA H 17226 1 26 . 1 1 39 39 ASP H H 1 1.6818720074 0.022587950829066381 . . 39 ASP H 17226 1 27 . 1 1 40 40 ASP H H 1 1.79236143042 0.02679464582992358 . . 40 ASP H 17226 1 28 . 1 1 41 41 GLN H H 1 1.54522217199 0.020832773825905253 . . 41 GLN H 17226 1 29 . 1 1 42 42 LEU H H 1 1.63890756734 0.02808382554469491 . . 42 LEU H 17226 1 30 . 1 1 43 43 SER H H 1 1.74614959837 0.021633849981682374 . . 43 SER H 17226 1 31 . 1 1 44 44 ALA H H 1 1.94308182458 0.02671927902068125 . . 44 ALA H 17226 1 32 . 1 1 45 45 PHE H H 1 1.71795298803 0.022204362709357151 . . 45 PHE H 17226 1 33 . 1 1 46 46 PHE H H 1 1.75344348942 0.032536467373516099 . . 46 PHE H 17226 1 34 . 1 1 47 47 SER H H 1 1.66885398987 0.016709447663360331 . . 47 SER H 17226 1 35 . 1 1 49 49 THR H H 1 1.75859255146 0.023581635618235938 . . 49 THR H 17226 1 36 . 1 1 51 51 MET H H 1 1.99733401481 0.10191429820204449 . . 51 MET H 17226 1 37 . 1 1 52 52 SER H H 1 1.75779950859 0.085098321438623864 . . 52 SER H 17226 1 38 . 1 1 53 53 ARG H H 1 1.62035168295 0.026760692308826117 . . 53 ARG H 17226 1 39 . 1 1 55 55 LYS H H 1 1.65909165185 0.031461086051502656 . . 55 LYS H 17226 1 40 . 1 1 56 56 GLY H H 1 1.54885584094 0.024598479292365413 . . 56 GLY H 17226 1 41 . 1 1 58 58 GLN H H 1 1.67331720758 0.025431760491924593 . . 58 GLN H 17226 1 42 . 1 1 59 59 VAL H H 1 1.58100600568 0.025231896638215519 . . 59 VAL H 17226 1 43 . 1 1 60 60 GLU H H 1 1.61049995956 0.022306614018909043 . . 60 GLU H 17226 1 44 . 1 1 61 61 PHE H H 1 1.65663484374 0.024474766808962805 . . 61 PHE H 17226 1 45 . 1 1 62 62 PHE H H 1 1.71967623107 0.027789591472045454 . . 62 PHE H 17226 1 46 . 1 1 63 63 ALA H H 1 1.65061923533 0.019059176035145609 . . 63 ALA H 17226 1 47 . 1 1 64 64 ALA H H 1 1.55309552692 0.018419033221923235 . . 64 ALA H 17226 1 48 . 1 1 66 66 LEU H H 1 1.66638908595 0.025905560890632295 . . 66 LEU H 17226 1 49 . 1 1 67 67 GLY H H 1 1.51965667527 0.024852860760508098 . . 67 GLY H 17226 1 50 . 1 1 68 68 GLY H H 1 1.4957485239 0.027367123613050756 . . 68 GLY H 17226 1 51 . 1 1 70 70 GLU H H 1 1.68828349612 0.024566378665946249 . . 70 GLU H 17226 1 52 . 1 1 72 72 TYR H H 1 1.52917125227 0.022589110827835001 . . 72 TYR H 17226 1 53 . 1 1 73 73 THR H H 1 1.86216107539 0.052946422275913375 . . 73 THR H 17226 1 54 . 1 1 75 75 ALA H H 1 1.74698789305 0.026279038190774859 . . 75 ALA H 17226 1 55 . 1 1 77 77 MET H H 1 1.61599695998 0.045316894827751177 . . 77 MET H 17226 1 56 . 1 1 78 78 LYS H H 1 1.62485699872 0.043910412500686412 . . 78 LYS H 17226 1 57 . 1 1 79 79 GLN H H 1 1.39109495639 0.015705521380429407 . . 79 GLN H 17226 1 58 . 1 1 80 80 VAL H H 1 1.47397576235 0.022151087141550705 . . 80 VAL H 17226 1 59 . 1 1 81 81 HIS H H 1 1.66968871088 0.041719545780170418 . . 81 HIS H 17226 1 60 . 1 1 82 82 GLN H H 1 1.55903770774 0.01687364211130335 . . 82 GLN H 17226 1 61 . 1 1 83 83 GLY H H 1 1.50614056491 0.025313679671945942 . . 83 GLY H 17226 1 62 . 1 1 84 84 ARG H H 1 1.92754970864 0.048022058939656991 . . 84 ARG H 17226 1 63 . 1 1 85 85 GLY H H 1 1.71727292293 0.025954316227856326 . . 85 GLY H 17226 1 64 . 1 1 86 86 ILE H H 1 1.66976209888 0.039453122574923394 . . 86 ILE H 17226 1 65 . 1 1 87 87 THR H H 1 1.54716735762 0.024185033163075291 . . 87 THR H 17226 1 66 . 1 1 90 90 HIS H H 1 1.59542184582 0.028268734074947805 . . 90 HIS H 17226 1 67 . 1 1 91 91 PHE H H 1 1.50585787276 0.018113301868959774 . . 91 PHE H 17226 1 68 . 1 1 92 92 SER H H 1 1.56900750763 0.024826968439582285 . . 92 SER H 17226 1 69 . 1 1 93 93 LEU H H 1 1.56538261213 0.02613850984746436 . . 93 LEU H 17226 1 70 . 1 1 94 94 VAL H H 1 1.54423368821 0.018779496478541102 . . 94 VAL H 17226 1 71 . 1 1 95 95 ALA H H 1 1.48410222091 0.021318206884296392 . . 95 ALA H 17226 1 72 . 1 1 96 96 GLY H H 1 1.53394760158 0.018657493675632429 . . 96 GLY H 17226 1 73 . 1 1 97 97 HIS H H 1 1.61053673226 0.022935732791359038 . . 97 HIS H 17226 1 74 . 1 1 98 98 LEU H H 1 1.49293104576 0.016140011733800048 . . 98 LEU H 17226 1 75 . 1 1 99 99 ALA H H 1 1.48868744234 0.01897089634563557 . . 99 ALA H 17226 1 76 . 1 1 100 100 ASP H H 1 1.61231411565 0.020280944831389765 . . 100 ASP H 17226 1 77 . 1 1 101 101 ALA H H 1 1.49472954936 0.024874329359595999 . . 101 ALA H 17226 1 78 . 1 1 102 102 LEU H H 1 1.52138679362 0.026063039106561017 . . 102 LEU H 17226 1 79 . 1 1 103 103 THR H H 1 1.57267845755 0.018639110067352038 . . 103 THR H 17226 1 80 . 1 1 104 104 ALA H H 1 1.54187281671 0.016945949738244127 . . 104 ALA H 17226 1 81 . 1 1 105 105 ALA H H 1 1.47688286864 0.018634024379923318 . . 105 ALA H 17226 1 82 . 1 1 106 106 GLY H H 1 1.69230301803 0.033128336689034851 . . 106 GLY H 17226 1 83 . 1 1 112 112 ILE H H 1 1.59102720564 0.017964808683314688 . . 112 ILE H 17226 1 84 . 1 1 114 114 GLU H H 1 1.55933435853 0.017242375483362739 . . 114 GLU H 17226 1 85 . 1 1 115 115 ILE H H 1 1.63749864361 0.022262781325663606 . . 115 ILE H 17226 1 86 . 1 1 116 116 LEU H H 1 1.67987323939 0.026527926629486907 . . 116 LEU H 17226 1 87 . 1 1 117 117 GLY H H 1 1.49395090218 0.01861589924317196 . . 117 GLY H 17226 1 88 . 1 1 118 118 VAL H H 1 1.57757608141 0.019723353256916702 . . 118 VAL H 17226 1 89 . 1 1 119 119 ILE H H 1 1.59590266028 0.029211788308778672 . . 119 ILE H 17226 1 90 . 1 1 120 120 ALA H H 1 1.49917446945 0.018964602712330095 . . 120 ALA H 17226 1 91 . 1 1 122 122 LEU H H 1 1.51540204901 0.019302537728502153 . . 122 LEU H 17226 1 92 . 1 1 123 123 ALA H H 1 1.56083884028 0.015331587259752916 . . 123 ALA H 17226 1 93 . 1 1 124 124 VAL H H 1 1.41665488519 0.016069839941059726 . . 124 VAL H 17226 1 94 . 1 1 125 125 ASP H H 1 1.42173897943 0.017468369952076696 . . 125 ASP H 17226 1 95 . 1 1 126 126 VAL H H 1 1.55765846676 0.030012371415511777 . . 126 VAL H 17226 1 96 . 1 1 127 127 THR H H 1 1.54829823435 0.027522014117129671 . . 127 THR H 17226 1 97 . 1 1 129 129 GLY H H 1 2.05032337504 0.12647412341315914 . . 129 GLY H 17226 1 98 . 1 1 130 130 GLU H H 1 1.94621110122 0.042181162814579336 . . 130 GLU H 17226 1 99 . 1 1 133 133 THR H H 1 1.53242105474 0.095782703700589111 . . 133 THR H 17226 1 100 . 1 1 134 134 ALA H H 1 1.33682708138 0.015057834362757224 . . 134 ALA H 17226 1 101 . 1 1 136 136 VAL H H 1 0.824714736132 0.0020089996432823532 . . 136 VAL H 17226 1 stop_ save_ save_heteronuclear_R1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_R1_list_2 _Heteronucl_T1_list.Entry_ID 17226 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 17226 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 5 $relax . . 17226 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 7 7 LEU H H 1 1.47404218462 0.043369072234228208 . . 7 LEU H 17226 2 2 . 1 1 11 11 GLU H H 1 1.38698572025 0.025079829718378379 . . 11 GLU H 17226 2 3 . 1 1 13 13 ILE H H 1 1.30765135561 0.016310392339518403 . . 13 ILE H 17226 2 4 . 1 1 14 14 SER H H 1 1.34638740728 0.024442653323508458 . . 14 SER H 17226 2 5 . 1 1 15 15 ILE H H 1 1.37046484355 0.029184893232527074 . . 15 ILE H 17226 2 6 . 1 1 16 16 TYR H H 1 1.28566289286 0.025428148730533368 . . 16 TYR H 17226 2 7 . 1 1 17 17 ASP H H 1 1.34344613928 0.01972967421035143 . . 17 ASP H 17226 2 8 . 1 1 19 19 ILE H H 1 1.25065383787 0.020564574512502012 . . 19 ILE H 17226 2 9 . 1 1 20 20 GLY H H 1 1.24925001378 0.01443507920142178 . . 20 GLY H 17226 2 10 . 1 1 21 21 GLY H H 1 1.34215109745 0.016053386170515802 . . 21 GLY H 17226 2 11 . 1 1 22 22 HIS H H 1 1.32449022163 0.019908869953752451 . . 22 HIS H 17226 2 12 . 1 1 23 23 GLU H H 1 1.16346694465 0.012361413948944348 . . 23 GLU H 17226 2 13 . 1 1 24 24 ALA H H 1 1.20316176295 0.0099591047146862857 . . 24 ALA H 17226 2 14 . 1 1 25 25 ILE H H 1 1.17822282493 0.016238248817584587 . . 25 ILE H 17226 2 15 . 1 1 26 26 GLU H H 1 1.19407631314 0.018594960896238022 . . 26 GLU H 17226 2 16 . 1 1 28 28 VAL H H 1 1.19869833512 0.015483814429142683 . . 28 VAL H 17226 2 17 . 1 1 30 30 GLU H H 1 1.0954047716 0.012104130166721868 . . 30 GLU H 17226 2 18 . 1 1 31 31 ASP H H 1 1.1370102427 0.014356232599003609 . . 31 ASP H 17226 2 19 . 1 1 32 32 PHE H H 1 1.22581302974 0.014647331574251521 . . 32 PHE H 17226 2 20 . 1 1 33 33 TYR H H 1 1.17828658457 0.014864481527513219 . . 33 TYR H 17226 2 21 . 1 1 34 34 VAL H H 1 1.07754095898 0.012898066370616626 . . 34 VAL H 17226 2 22 . 1 1 35 35 ARG H H 1 1.13457122497 0.018427408842494213 . . 35 ARG H 17226 2 23 . 1 1 36 36 VAL H H 1 1.15532494304 0.01485341669733577 . . 36 VAL H 17226 2 24 . 1 1 37 37 LEU H H 1 1.17212578628 0.015527671807469442 . . 37 LEU H 17226 2 25 . 1 1 38 38 ALA H H 1 1.12822316336 0.011792241316308537 . . 38 ALA H 17226 2 26 . 1 1 39 39 ASP H H 1 1.25832501803 0.013411962251605005 . . 39 ASP H 17226 2 27 . 1 1 40 40 ASP H H 1 1.29545999179 0.014637864952115654 . . 40 ASP H 17226 2 28 . 1 1 41 41 GLN H H 1 1.1465403574 0.011506497341134469 . . 41 GLN H 17226 2 29 . 1 1 42 42 LEU H H 1 1.26132361204 0.018287318300801849 . . 42 LEU H 17226 2 30 . 1 1 43 43 SER H H 1 1.23022487787 0.014188285103110779 . . 43 SER H 17226 2 31 . 1 1 44 44 ALA H H 1 1.44158405831 0.01391628765024863 . . 44 ALA H 17226 2 32 . 1 1 45 45 PHE H H 1 1.310317282 0.013291951581125262 . . 45 PHE H 17226 2 33 . 1 1 46 46 PHE H H 1 1.28839956798 0.018810449318298388 . . 46 PHE H 17226 2 34 . 1 1 47 47 SER H H 1 1.25333594581 0.0086414726935677196 . . 47 SER H 17226 2 35 . 1 1 49 49 THR H H 1 1.28353922826 0.012030083489551089 . . 49 THR H 17226 2 36 . 1 1 51 51 MET H H 1 1.29824827405 0.040293827807308037 . . 51 MET H 17226 2 37 . 1 1 52 52 SER H H 1 1.23059358909 0.03345773237743576 . . 52 SER H 17226 2 38 . 1 1 53 53 ARG H H 1 1.16588501714 0.013748038143752545 . . 53 ARG H 17226 2 39 . 1 1 55 55 LYS H H 1 1.27145899546 0.017658473620958848 . . 55 LYS H 17226 2 40 . 1 1 56 56 GLY H H 1 1.18218594135 0.015858699444914432 . . 56 GLY H 17226 2 41 . 1 1 58 58 GLN H H 1 1.33779401449 0.017690383102306015 . . 58 GLN H 17226 2 42 . 1 1 59 59 VAL H H 1 1.22894181757 0.016236005780137865 . . 59 VAL H 17226 2 43 . 1 1 60 60 GLU H H 1 1.15129706061 0.013023835168319066 . . 60 GLU H 17226 2 44 . 1 1 61 61 PHE H H 1 1.2668631249 0.014999066514046706 . . 61 PHE H 17226 2 45 . 1 1 62 62 PHE H H 1 1.31352688338 0.016865596733209021 . . 62 PHE H 17226 2 46 . 1 1 63 63 ALA H H 1 1.24323560858 0.011598657617277505 . . 63 ALA H 17226 2 47 . 1 1 64 64 ALA H H 1 1.19333026239 0.01119407420560211 . . 64 ALA H 17226 2 48 . 1 1 66 66 LEU H H 1 1.26320533158 0.018525982434699544 . . 66 LEU H 17226 2 49 . 1 1 67 67 GLY H H 1 1.1421376829 0.016708078229124578 . . 67 GLY H 17226 2 50 . 1 1 68 68 GLY H H 1 1.18819328778 0.017310031204729452 . . 68 GLY H 17226 2 51 . 1 1 70 70 GLU H H 1 1.32279741614 0.016742660185412716 . . 70 GLU H 17226 2 52 . 1 1 72 72 TYR H H 1 1.17850079438 0.014340662149372957 . . 72 TYR H 17226 2 53 . 1 1 73 73 THR H H 1 1.34294015564 0.026606738776896083 . . 73 THR H 17226 2 54 . 1 1 75 75 ALA H H 1 1.30569351539 0.017314642552529236 . . 75 ALA H 17226 2 55 . 1 1 77 77 MET H H 1 1.3063782264 0.027118809221943353 . . 77 MET H 17226 2 56 . 1 1 78 78 LYS H H 1 1.2855535969 0.02821190510891914 . . 78 LYS H 17226 2 57 . 1 1 79 79 GLN H H 1 1.08258976408 0.010884286677738888 . . 79 GLN H 17226 2 58 . 1 1 80 80 VAL H H 1 1.15876794496 0.014761479224407381 . . 80 VAL H 17226 2 59 . 1 1 81 81 HIS H H 1 1.28634892289 0.033076835576853363 . . 81 HIS H 17226 2 60 . 1 1 82 82 GLN H H 1 1.16352040774 0.011087077654907015 . . 82 GLN H 17226 2 61 . 1 1 83 83 GLY H H 1 1.13147815166 0.014141942234923635 . . 83 GLY H 17226 2 62 . 1 1 84 84 ARG H H 1 1.42413756144 0.023356513310871147 . . 84 ARG H 17226 2 63 . 1 1 85 85 GLY H H 1 1.34247003419 0.016879243413024117 . . 85 GLY H 17226 2 64 . 1 1 86 86 ILE H H 1 1.26224147811 0.026307826180761565 . . 86 ILE H 17226 2 65 . 1 1 87 87 THR H H 1 1.12893364694 0.013044013760273003 . . 87 THR H 17226 2 66 . 1 1 90 90 HIS H H 1 1.14056720721 0.016978789756743089 . . 90 HIS H 17226 2 67 . 1 1 91 91 PHE H H 1 1.10369413159 0.011510416452936332 . . 91 PHE H 17226 2 68 . 1 1 92 92 SER H H 1 1.1003422073 0.015860931994653087 . . 92 SER H 17226 2 69 . 1 1 93 93 LEU H H 1 1.209821887 0.015525360766632792 . . 93 LEU H 17226 2 70 . 1 1 94 94 VAL H H 1 1.16929370856 0.012535933189302989 . . 94 VAL H 17226 2 71 . 1 1 95 95 ALA H H 1 1.16066626334 0.013139466268574066 . . 95 ALA H 17226 2 72 . 1 1 96 96 GLY H H 1 1.10681437365 0.012233909430904914 . . 96 GLY H 17226 2 73 . 1 1 97 97 HIS H H 1 1.2015994485 0.015318740192988661 . . 97 HIS H 17226 2 74 . 1 1 98 98 LEU H H 1 1.09598144067 0.0099396477027260885 . . 98 LEU H 17226 2 75 . 1 1 99 99 ALA H H 1 1.16429934368 0.010882133221678242 . . 99 ALA H 17226 2 76 . 1 1 100 100 ASP H H 1 1.22390762368 0.012061793937724287 . . 100 ASP H 17226 2 77 . 1 1 101 101 ALA H H 1 1.1559043317 0.016667396315592872 . . 101 ALA H 17226 2 78 . 1 1 102 102 LEU H H 1 1.11025797051 0.012527584731263768 . . 102 LEU H 17226 2 79 . 1 1 103 103 THR H H 1 1.16484619407 0.010542123889335821 . . 103 THR H 17226 2 80 . 1 1 104 104 ALA H H 1 1.17240772351 0.010330402293612715 . . 104 ALA H 17226 2 81 . 1 1 105 105 ALA H H 1 1.10551461967 0.014014602260996682 . . 105 ALA H 17226 2 82 . 1 1 106 106 GLY H H 1 1.2371922363 0.020825757078190101 . . 106 GLY H 17226 2 83 . 1 1 112 112 ILE H H 1 1.17775847359 0.010506093073910448 . . 112 ILE H 17226 2 84 . 1 1 114 114 GLU H H 1 1.24858032142 0.011810469770326943 . . 114 GLU H 17226 2 85 . 1 1 115 115 ILE H H 1 1.33263542321 0.017405442466277087 . . 115 ILE H 17226 2 86 . 1 1 116 116 LEU H H 1 1.28220590814 0.014609704846437109 . . 116 LEU H 17226 2 87 . 1 1 117 117 GLY H H 1 1.13107592263 0.012805123154410835 . . 117 GLY H 17226 2 88 . 1 1 118 118 VAL H H 1 1.30280336355 0.014405352289031047 . . 118 VAL H 17226 2 89 . 1 1 119 119 ILE H H 1 1.2478742638 0.020210745296601912 . . 119 ILE H 17226 2 90 . 1 1 120 120 ALA H H 1 1.20104627283 0.013171900897967674 . . 120 ALA H 17226 2 91 . 1 1 122 122 LEU H H 1 1.23127026108 0.014040883243394444 . . 122 LEU H 17226 2 92 . 1 1 123 123 ALA H H 1 1.221028629 0.011023249592352492 . . 123 ALA H 17226 2 93 . 1 1 124 124 VAL H H 1 1.0546877171 0.009918004713974948 . . 124 VAL H 17226 2 94 . 1 1 125 125 ASP H H 1 1.07399584997 0.011281363135056897 . . 125 ASP H 17226 2 95 . 1 1 126 126 VAL H H 1 1.21704332461 0.019113257608473554 . . 126 VAL H 17226 2 96 . 1 1 127 127 THR H H 1 1.17805633358 0.017466403924666356 . . 127 THR H 17226 2 97 . 1 1 129 129 GLY H H 1 1.51324522596 0.047043725540291376 . . 129 GLY H 17226 2 98 . 1 1 130 130 GLU H H 1 1.56253310693 0.017140704758848466 . . 130 GLU H 17226 2 99 . 1 1 133 133 THR H H 1 1.20149009927 0.03863861762721179 . . 133 THR H 17226 2 100 . 1 1 134 134 ALA H H 1 1.16578388791 0.006439482144543489 . . 134 ALA H 17226 2 101 . 1 1 136 136 VAL H H 1 0.752783677952 0.0018923980087289126 . . 136 VAL H 17226 2 stop_ save_ save_heteronuclear_R1_list_3 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_R1_list_3 _Heteronucl_T1_list.Entry_ID 17226 _Heteronucl_T1_list.ID 3 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 17226 3 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 5 $relax . . 17226 3 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 7 7 LEU H H 1 1.52240253449 0.14827023459400476 . . 7 LEU H 17226 3 2 . 1 1 11 11 GLU H H 1 1.18751664048 0.06467274243962319 . . 11 GLU H 17226 3 3 . 1 1 13 13 ILE H H 1 1.085670272 0.034172925537258002 . . 13 ILE H 17226 3 4 . 1 1 14 14 SER H H 1 1.02544816942 0.057442199486449755 . . 14 SER H 17226 3 5 . 1 1 15 15 ILE H H 1 1.00505561036 0.06300748529846617 . . 15 ILE H 17226 3 6 . 1 1 16 16 TYR H H 1 0.9717706169 0.052400251998695552 . . 16 TYR H 17226 3 7 . 1 1 17 17 ASP H H 1 0.975123458597 0.03862010204221393 . . 17 ASP H 17226 3 8 . 1 1 19 19 ILE H H 1 0.928020488677 0.040696602950182063 . . 19 ILE H 17226 3 9 . 1 1 20 20 GLY H H 1 0.964391790759 0.03654139333644351 . . 20 GLY H 17226 3 10 . 1 1 21 21 GLY H H 1 1.03290466739 0.036335874710459043 . . 21 GLY H 17226 3 11 . 1 1 22 22 HIS H H 1 0.962111685515 0.044673669677310422 . . 22 HIS H 17226 3 12 . 1 1 23 23 GLU H H 1 0.940934312874 0.033927674087451377 . . 23 GLU H 17226 3 13 . 1 1 24 24 ALA H H 1 0.886096373258 0.021369318525918859 . . 24 ALA H 17226 3 14 . 1 1 25 25 ILE H H 1 0.817753538787 0.03627884433744262 . . 25 ILE H 17226 3 15 . 1 1 26 26 GLU H H 1 0.81829989584 0.050712831111492274 . . 26 GLU H 17226 3 16 . 1 1 28 28 VAL H H 1 0.890382375066 0.033349599860751457 . . 28 VAL H 17226 3 17 . 1 1 30 30 GLU H H 1 0.822209574167 0.028488103534483913 . . 30 GLU H 17226 3 18 . 1 1 31 31 ASP H H 1 0.861907098111 0.029447314384314006 . . 31 ASP H 17226 3 19 . 1 1 32 32 PHE H H 1 0.8556039756 0.027071943370525674 . . 32 PHE H 17226 3 20 . 1 1 33 33 TYR H H 1 0.859098998975 0.032971960698996827 . . 33 TYR H 17226 3 21 . 1 1 34 34 VAL H H 1 0.813092954591 0.028435273271954751 . . 34 VAL H 17226 3 22 . 1 1 35 35 ARG H H 1 0.885211529891 0.042488096308602993 . . 35 ARG H 17226 3 23 . 1 1 36 36 VAL H H 1 0.824372120367 0.034808361111172512 . . 36 VAL H 17226 3 24 . 1 1 37 37 LEU H H 1 0.822503953748 0.034556595928064059 . . 37 LEU H 17226 3 25 . 1 1 38 38 ALA H H 1 0.834182718579 0.028137895211349524 . . 38 ALA H 17226 3 26 . 1 1 39 39 ASP H H 1 0.939898912694 0.026054532184482896 . . 39 ASP H 17226 3 27 . 1 1 40 40 ASP H H 1 1.0350398205 0.037252698342646065 . . 40 ASP H 17226 3 28 . 1 1 41 41 GLN H H 1 0.862337287009 0.026802989616532467 . . 41 GLN H 17226 3 29 . 1 1 42 42 LEU H H 1 0.906729693442 0.036540916034123468 . . 42 LEU H 17226 3 30 . 1 1 43 43 SER H H 1 0.97362703383 0.027189937425259422 . . 43 SER H 17226 3 31 . 1 1 44 44 ALA H H 1 1.09516233483 0.034980047076063399 . . 44 ALA H 17226 3 32 . 1 1 45 45 PHE H H 1 0.956924290563 0.028896987928710961 . . 45 PHE H 17226 3 33 . 1 1 46 46 PHE H H 1 0.942063128841 0.037364262139741831 . . 46 PHE H 17226 3 34 . 1 1 47 47 SER H H 1 0.93210690512 0.018235204087518407 . . 47 SER H 17226 3 35 . 1 1 49 49 THR H H 1 0.972379383703 0.024692240037490976 . . 49 THR H 17226 3 36 . 1 1 51 51 MET H H 1 0.934117910053 0.10122914672845706 . . 51 MET H 17226 3 37 . 1 1 52 52 SER H H 1 0.883439750564 0.081880771886404316 . . 52 SER H 17226 3 38 . 1 1 53 53 ARG H H 1 0.903520379698 0.035168740661905347 . . 53 ARG H 17226 3 39 . 1 1 55 55 LYS H H 1 0.911372445318 0.03782317408097173 . . 55 LYS H 17226 3 40 . 1 1 56 56 GLY H H 1 0.84582143362 0.032725441763271697 . . 56 GLY H 17226 3 41 . 1 1 58 58 GLN H H 1 0.977058937015 0.043468269424834775 . . 58 GLN H 17226 3 42 . 1 1 59 59 VAL H H 1 0.910469137438 0.036662535410344602 . . 59 VAL H 17226 3 43 . 1 1 60 60 GLU H H 1 0.894733420046 0.029317275209094187 . . 60 GLU H 17226 3 44 . 1 1 61 61 PHE H H 1 0.913113472172 0.034323676986170844 . . 61 PHE H 17226 3 45 . 1 1 62 62 PHE H H 1 0.977422876559 0.037072023799982493 . . 62 PHE H 17226 3 46 . 1 1 63 63 ALA H H 1 0.919777932588 0.030474806659820688 . . 63 ALA H 17226 3 47 . 1 1 64 64 ALA H H 1 0.884591086123 0.026038505281178858 . . 64 ALA H 17226 3 48 . 1 1 66 66 LEU H H 1 0.929888740798 0.035236682661905203 . . 66 LEU H 17226 3 49 . 1 1 67 67 GLY H H 1 0.861166265268 0.03600996815477684 . . 67 GLY H 17226 3 50 . 1 1 68 68 GLY H H 1 0.854988178304 0.037215005830647824 . . 68 GLY H 17226 3 51 . 1 1 70 70 GLU H H 1 0.958921875503 0.037624119855285465 . . 70 GLU H 17226 3 52 . 1 1 72 72 TYR H H 1 0.893315015286 0.027925856630042732 . . 72 TYR H 17226 3 53 . 1 1 73 73 THR H H 1 1.07138357583 0.080009921197391282 . . 73 THR H 17226 3 54 . 1 1 75 75 ALA H H 1 1.0338510067 0.046104710396112199 . . 75 ALA H 17226 3 55 . 1 1 77 77 MET H H 1 0.979994517313 0.06410750296366069 . . 77 MET H 17226 3 56 . 1 1 78 78 LYS H H 1 0.901065833051 0.066097859827451505 . . 78 LYS H 17226 3 57 . 1 1 79 79 GLN H H 1 0.856664114303 0.02422491417703429 . . 79 GLN H 17226 3 58 . 1 1 80 80 VAL H H 1 0.858246749734 0.034652917667522876 . . 80 VAL H 17226 3 59 . 1 1 81 81 HIS H H 1 0.993220552473 0.12105827054577921 . . 81 HIS H 17226 3 60 . 1 1 82 82 GLN H H 1 0.903694382845 0.026247743788017631 . . 82 GLN H 17226 3 61 . 1 1 83 83 GLY H H 1 0.880894520883 0.03082804493802271 . . 83 GLY H 17226 3 62 . 1 1 84 84 ARG H H 1 1.06270057672 0.055321014392877017 . . 84 ARG H 17226 3 63 . 1 1 85 85 GLY H H 1 0.977074039114 0.034530055186480169 . . 85 GLY H 17226 3 64 . 1 1 86 86 ILE H H 1 0.973628814374 0.064167362392450994 . . 86 ILE H 17226 3 65 . 1 1 87 87 THR H H 1 0.861957915097 0.026023524829182878 . . 87 THR H 17226 3 66 . 1 1 90 90 HIS H H 1 0.868408968312 0.035519794021526607 . . 90 HIS H 17226 3 67 . 1 1 91 91 PHE H H 1 0.823882054047 0.023098530030991486 . . 91 PHE H 17226 3 68 . 1 1 92 92 SER H H 1 0.852843505128 0.036220472081317394 . . 92 SER H 17226 3 69 . 1 1 93 93 LEU H H 1 0.783606983728 0.033289387828274987 . . 93 LEU H 17226 3 70 . 1 1 94 94 VAL H H 1 0.862817327087 0.02411138307765218 . . 94 VAL H 17226 3 71 . 1 1 95 95 ALA H H 1 0.836501951423 0.027784410772134192 . . 95 ALA H 17226 3 72 . 1 1 96 96 GLY H H 1 0.862254707166 0.02541151823730689 . . 96 GLY H 17226 3 73 . 1 1 97 97 HIS H H 1 0.868803968668 0.033267722727296313 . . 97 HIS H 17226 3 74 . 1 1 98 98 LEU H H 1 0.85447027886 0.02022234308975825 . . 98 LEU H 17226 3 75 . 1 1 99 99 ALA H H 1 0.84109030188 0.026896629688081243 . . 99 ALA H 17226 3 76 . 1 1 100 100 ASP H H 1 0.923386629298 0.029204300122939408 . . 100 ASP H 17226 3 77 . 1 1 101 101 ALA H H 1 0.84950831135 0.036842835832155474 . . 101 ALA H 17226 3 78 . 1 1 102 102 LEU H H 1 0.836235760393 0.03380712343293573 . . 102 LEU H 17226 3 79 . 1 1 103 103 THR H H 1 0.896149858117 0.025124061212124366 . . 103 THR H 17226 3 80 . 1 1 104 104 ALA H H 1 0.866603523735 0.021940635859357828 . . 104 ALA H 17226 3 81 . 1 1 105 105 ALA H H 1 0.807829775325 0.031134389931026917 . . 105 ALA H 17226 3 82 . 1 1 106 106 GLY H H 1 0.910753092661 0.049964543034338012 . . 106 GLY H 17226 3 83 . 1 1 112 112 ILE H H 1 0.907176628321 0.024904707073973891 . . 112 ILE H 17226 3 84 . 1 1 114 114 GLU H H 1 0.882784952162 0.022938063602757946 . . 114 GLU H 17226 3 85 . 1 1 115 115 ILE H H 1 0.93246573338 0.035809201684276218 . . 115 ILE H 17226 3 86 . 1 1 116 116 LEU H H 1 0.926411013403 0.033172071416530349 . . 116 LEU H 17226 3 87 . 1 1 117 117 GLY H H 1 0.852420899599 0.027723666796248287 . . 117 GLY H 17226 3 88 . 1 1 118 118 VAL H H 1 0.935685037709 0.027005113215294051 . . 118 VAL H 17226 3 89 . 1 1 119 119 ILE H H 1 0.890961074072 0.043168224846953179 . . 119 ILE H 17226 3 90 . 1 1 120 120 ALA H H 1 0.818908312642 0.02951739991214905 . . 120 ALA H 17226 3 91 . 1 1 122 122 LEU H H 1 0.863468075588 0.027050624139521227 . . 122 LEU H 17226 3 92 . 1 1 123 123 ALA H H 1 0.852428392589 0.024864738712091803 . . 123 ALA H 17226 3 93 . 1 1 124 124 VAL H H 1 0.824547621934 0.024428463533773887 . . 124 VAL H 17226 3 94 . 1 1 125 125 ASP H H 1 0.835584363822 0.023694576943176646 . . 125 ASP H 17226 3 95 . 1 1 126 126 VAL H H 1 0.876597821084 0.042982893860534804 . . 126 VAL H 17226 3 96 . 1 1 127 127 THR H H 1 0.862157251838 0.033749850895821699 . . 127 THR H 17226 3 97 . 1 1 129 129 GLY H H 1 1.24326544958 0.12559571077239282 . . 129 GLY H 17226 3 98 . 1 1 130 130 GLU H H 1 1.36620010373 0.047850301970368637 . . 130 GLU H 17226 3 99 . 1 1 133 133 THR H H 1 1.25817427281 0.12079466092236643 . . 133 THR H 17226 3 100 . 1 1 134 134 ALA H H 1 1.25064026238 0.022276990185904219 . . 134 ALA H 17226 3 101 . 1 1 136 136 VAL H H 1 0.800081041558 0.0045088759149709574 . . 136 VAL H 17226 3 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_R2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_R2_list_1 _Heteronucl_T2_list.Entry_ID 17226 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 17226 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 5 $relax . . 17226 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 7 7 LEU H H 1 5.71891782683 0.18763393649066307 . . . 1 7 LEU HN 17226 1 2 . 1 1 11 11 GLU H H 1 7.08168689699 0.12140072665559765 . . . 1 11 GLU HN 17226 1 3 . 1 1 13 13 ILE H H 1 7.70770702122 0.062474987542050713 . . . 1 13 ILE HN 17226 1 4 . 1 1 14 14 SER H H 1 11.3883343476 0.13818794435495416 . . . 1 14 SER HN 17226 1 5 . 1 1 15 15 ILE H H 1 12.4615820793 0.18306900199634285 . . . 1 15 ILE HN 17226 1 6 . 1 1 16 16 TYR H H 1 12.6538756802 0.17260670715616727 . . . 1 16 TYR HN 17226 1 7 . 1 1 17 17 ASP H H 1 12.3476897088 0.13215251187451427 . . . 1 17 ASP HN 17226 1 8 . 1 1 19 19 ILE H H 1 12.3316913137 0.14259244716844552 . . . 1 19 ILE HN 17226 1 9 . 1 1 20 20 GLY H H 1 12.0119520824 0.11238025768753618 . . . 1 20 GLY HN 17226 1 10 . 1 1 21 21 GLY H H 1 11.4164737572 0.10224522731265492 . . . 1 21 GLY HN 17226 1 11 . 1 1 22 22 HIS H H 1 13.4758024822 0.14850390229343527 . . . 1 22 HIS HN 17226 1 12 . 1 1 23 23 GLU H H 1 14.0574563549 0.1128620859172874 . . . 1 23 GLU HN 17226 1 13 . 1 1 24 24 ALA H H 1 12.3689436375 0.071715737925472464 . . . 1 24 ALA HN 17226 1 14 . 1 1 25 25 ILE H H 1 13.2540256921 0.13211502843683989 . . . 1 25 ILE HN 17226 1 15 . 1 1 26 26 GLU H H 1 14.5628975824 0.15419522793888099 . . . 1 26 GLU HN 17226 1 16 . 1 1 28 28 VAL H H 1 12.7361644779 0.11857574496600573 . . . 1 28 VAL HN 17226 1 17 . 1 1 30 30 GLU H H 1 15.0433530916 0.12692692405332948 . . . 1 30 GLU HN 17226 1 18 . 1 1 31 31 ASP H H 1 14.5338191314 0.13273494638983166 . . . 1 31 ASP HN 17226 1 19 . 1 1 32 32 PHE H H 1 13.6281230879 0.12446318671017444 . . . 1 32 PHE HN 17226 1 20 . 1 1 33 33 TYR H H 1 14.136259348 0.13680903916620871 . . . 1 33 TYR HN 17226 1 21 . 1 1 34 34 VAL H H 1 14.4121303772 0.12800074110244825 . . . 1 34 VAL HN 17226 1 22 . 1 1 35 35 ARG H H 1 14.0087231841 0.16066607092491531 . . . 1 35 ARG HN 17226 1 23 . 1 1 36 36 VAL H H 1 13.9104008963 0.1520659867081903 . . . 1 36 VAL HN 17226 1 24 . 1 1 37 37 LEU H H 1 14.830281162 0.14974001776828935 . . . 1 37 LEU HN 17226 1 25 . 1 1 38 38 ALA H H 1 14.2553796851 0.11850571183545511 . . . 1 38 ALA HN 17226 1 26 . 1 1 39 39 ASP H H 1 11.6016246672 0.084758462954922564 . . . 1 39 ASP HN 17226 1 27 . 1 1 40 40 ASP H H 1 12.0139050413 0.10246886331530511 . . . 1 40 ASP HN 17226 1 28 . 1 1 41 41 GLN H H 1 13.6708511992 0.09944754386996156 . . . 1 41 GLN HN 17226 1 29 . 1 1 42 42 LEU H H 1 12.1806522642 0.14354262002742532 . . . 1 42 LEU HN 17226 1 30 . 1 1 43 43 SER H H 1 11.7572170159 0.077716317435597926 . . . 1 43 SER HN 17226 1 31 . 1 1 44 44 ALA H H 1 12.1148538251 0.091880384811287352 . . . 1 44 ALA HN 17226 1 32 . 1 1 45 45 PHE H H 1 11.9353319211 0.095049145204146493 . . . 1 45 PHE HN 17226 1 33 . 1 1 46 46 PHE H H 1 11.9529834557 0.12288825302876874 . . . 1 46 PHE HN 17226 1 34 . 1 1 47 47 SER H H 1 12.3020051226 0.064252255601216141 . . . 1 47 SER HN 17226 1 35 . 1 1 49 49 THR H H 1 11.4185242726 0.085636996212297256 . . . 1 49 THR HN 17226 1 36 . 1 1 51 51 MET H H 1 13.6527313774 0.38959590422716961 . . . 1 51 MET HN 17226 1 37 . 1 1 52 52 SER H H 1 13.489867456 0.32725995906385363 . . . 1 52 SER HN 17226 1 38 . 1 1 53 53 ARG H H 1 13.9882759888 0.13928798777461726 . . . 1 53 ARG HN 17226 1 39 . 1 1 55 55 LYS H H 1 12.7416702749 0.13913719389688883 . . . 1 55 LYS HN 17226 1 40 . 1 1 56 56 GLY H H 1 13.2169263073 0.13499027811285769 . . . 1 56 GLY HN 17226 1 41 . 1 1 58 58 GLN H H 1 12.301113333 0.12147134266627971 . . . 1 58 GLN HN 17226 1 42 . 1 1 59 59 VAL H H 1 12.6859041594 0.13569734362175695 . . . 1 59 VAL HN 17226 1 43 . 1 1 60 60 GLU H H 1 13.3949890054 0.12259986815881341 . . . 1 60 GLU HN 17226 1 44 . 1 1 61 61 PHE H H 1 13.1289303899 0.12596978554007066 . . . 1 61 PHE HN 17226 1 45 . 1 1 62 62 PHE H H 1 12.7626580436 0.13362582580732413 . . . 1 62 PHE HN 17226 1 46 . 1 1 63 63 ALA H H 1 13.244384873 0.10829481278900234 . . . 1 63 ALA HN 17226 1 47 . 1 1 64 64 ALA H H 1 13.5118685223 0.10280199837312297 . . . 1 64 ALA HN 17226 1 48 . 1 1 66 66 LEU H H 1 11.8191732479 0.11361719096538531 . . . 1 66 LEU HN 17226 1 49 . 1 1 67 67 GLY H H 1 14.2855210824 0.14222792714318 . . . 1 67 GLY HN 17226 1 50 . 1 1 68 68 GLY H H 1 14.130429268 0.15222346906441231 . . . 1 68 GLY HN 17226 1 51 . 1 1 70 70 GLU H H 1 10.9354874405 0.088196650137546642 . . . 1 70 GLU HN 17226 1 52 . 1 1 72 72 TYR H H 1 10.6086471558 0.083318341601907486 . . . 1 72 TYR HN 17226 1 53 . 1 1 73 73 THR H H 1 12.0306734422 0.19791906170633253 . . . 1 73 THR HN 17226 1 54 . 1 1 75 75 ALA H H 1 11.2440085718 0.10460150814984223 . . . 1 75 ALA HN 17226 1 55 . 1 1 77 77 MET H H 1 14.4653718471 0.24122115728022564 . . . 1 77 MET HN 17226 1 56 . 1 1 78 78 LYS H H 1 13.844523789 0.21664181792633858 . . . 1 78 LYS HN 17226 1 57 . 1 1 79 79 GLN H H 1 11.652009298 0.08484687461330935 . . . 1 79 GLN HN 17226 1 58 . 1 1 80 80 VAL H H 1 13.924952604 0.13636207195365133 . . . 1 80 VAL HN 17226 1 59 . 1 1 81 81 HIS H H 1 12.2796976658 0.21736915715912683 . . . 1 81 HIS HN 17226 1 60 . 1 1 82 82 GLN H H 1 12.0725333175 0.083971548485736056 . . . 1 82 GLN HN 17226 1 61 . 1 1 83 83 GLY H H 1 12.9333671645 0.12152125118893518 . . . 1 83 GLY HN 17226 1 62 . 1 1 84 84 ARG H H 1 11.9008085069 0.15957290662565621 . . . 1 84 ARG HN 17226 1 63 . 1 1 85 85 GLY H H 1 11.2321853254 0.10510529089009675 . . . 1 85 GLY HN 17226 1 64 . 1 1 86 86 ILE H H 1 11.5836744568 0.16831616470584668 . . . 1 86 ILE HN 17226 1 65 . 1 1 87 87 THR H H 1 13.3031397639 0.11073364641448256 . . . 1 87 THR HN 17226 1 66 . 1 1 90 90 HIS H H 1 13.9009047426 0.14118750319444778 . . . 1 90 HIS HN 17226 1 67 . 1 1 91 91 PHE H H 1 14.1150295432 0.1051590043610859 . . . 1 91 PHE HN 17226 1 68 . 1 1 92 92 SER H H 1 13.957717508 0.14184304247859802 . . . 1 92 SER HN 17226 1 69 . 1 1 93 93 LEU H H 1 13.0404548174 0.13132034339597112 . . . 1 93 LEU HN 17226 1 70 . 1 1 94 94 VAL H H 1 14.0402678218 0.11276615251395536 . . . 1 94 VAL HN 17226 1 71 . 1 1 95 95 ALA H H 1 14.3269048573 0.14352082484817422 . . . 1 95 ALA HN 17226 1 72 . 1 1 96 96 GLY H H 1 13.4725885682 0.11000529906958885 . . . 1 96 GLY HN 17226 1 73 . 1 1 97 97 HIS H H 1 12.9384737069 0.10828709003836937 . . . 1 97 HIS HN 17226 1 74 . 1 1 98 98 LEU H H 1 13.8358109801 0.090772964971745987 . . . 1 98 LEU HN 17226 1 75 . 1 1 99 99 ALA H H 1 14.8012884476 0.15548619868575531 . . . 1 99 ALA HN 17226 1 76 . 1 1 100 100 ASP H H 1 13.7098745141 0.1055152385067465 . . . 1 100 ASP HN 17226 1 77 . 1 1 101 101 ALA H H 1 13.8981221895 0.14328971177037444 . . . 1 101 ALA HN 17226 1 78 . 1 1 102 102 LEU H H 1 14.5471821165 0.14051845336229032 . . . 1 102 LEU HN 17226 1 79 . 1 1 103 103 THR H H 1 14.441884307 0.11185838655325722 . . . 1 103 THR HN 17226 1 80 . 1 1 104 104 ALA H H 1 12.6159326979 0.079973307392056561 . . . 1 104 ALA HN 17226 1 81 . 1 1 105 105 ALA H H 1 13.3413475861 0.11299397388847873 . . . 1 105 ALA HN 17226 1 82 . 1 1 106 106 GLY H H 1 12.5844091945 0.16505087867471188 . . . 1 106 GLY HN 17226 1 83 . 1 1 112 112 ILE H H 1 14.7213086513 0.094667216591601488 . . . 1 112 ILE HN 17226 1 84 . 1 1 114 114 GLU H H 1 12.7915599101 0.088127242570849904 . . . 1 114 GLU HN 17226 1 85 . 1 1 115 115 ILE H H 1 12.1809401239 0.11623239844558968 . . . 1 115 ILE HN 17226 1 86 . 1 1 116 116 LEU H H 1 13.5553858449 0.12746294467187183 . . . 1 116 LEU HN 17226 1 87 . 1 1 117 117 GLY H H 1 13.4927440052 0.1068678299329292 . . . 1 117 GLY HN 17226 1 88 . 1 1 118 118 VAL H H 1 11.8349597866 0.10281375212581491 . . . 1 118 VAL HN 17226 1 89 . 1 1 119 119 ILE H H 1 12.8810440792 0.16281502935273265 . . . 1 119 ILE HN 17226 1 90 . 1 1 120 120 ALA H H 1 13.2867537018 0.10757532519712353 . . . 1 120 ALA HN 17226 1 91 . 1 1 122 122 LEU H H 1 12.4883722644 0.11557601144751839 . . . 1 122 LEU HN 17226 1 92 . 1 1 123 123 ALA H H 1 13.20833624 0.083591557127646141 . . . 1 123 ALA HN 17226 1 93 . 1 1 124 124 VAL H H 1 13.6046892049 0.10654361849372058 . . . 1 124 VAL HN 17226 1 94 . 1 1 125 125 ASP H H 1 11.9637986395 0.09527701509696522 . . . 1 125 ASP HN 17226 1 95 . 1 1 126 126 VAL H H 1 13.1608620071 0.15592794346156855 . . . 1 126 VAL HN 17226 1 96 . 1 1 127 127 THR H H 1 12.4083676491 0.1419752648658682 . . . 1 127 THR HN 17226 1 97 . 1 1 129 129 GLY H H 1 7.63527920412 0.27126272480348385 . . . 1 129 GLY HN 17226 1 98 . 1 1 130 130 GLU H H 1 6.53532361492 0.0718928179774765 . . . 1 130 GLU HN 17226 1 99 . 1 1 133 133 THR H H 1 3.63142398121 0.17341195166165896 . . . 1 133 THR HN 17226 1 100 . 1 1 134 134 ALA H H 1 3.11549117582 0.023893504368792447 . . . 1 134 ALA HN 17226 1 101 . 1 1 136 136 VAL H H 1 1.6557571602 0.0074973684019097745 . . . 1 136 VAL HN 17226 1 stop_ save_ save_heteronuclear_R2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_R2_list_2 _Heteronucl_T2_list.Entry_ID 17226 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 17226 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 5 $relax . . 17226 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 7 7 LEU H H 1 5.63151501864 0.15830310001116812 . . . 1 7 LEU HN 17226 2 2 . 1 1 11 11 GLU H H 1 6.75312263377 0.10236359043075993 . . . 1 11 GLU HN 17226 2 3 . 1 1 13 13 ILE H H 1 8.1800228146 0.069884291724758046 . . . 1 13 ILE HN 17226 2 4 . 1 1 14 14 SER H H 1 12.5758267709 0.19019394033604398 . . . 1 14 SER HN 17226 2 5 . 1 1 15 15 ILE H H 1 13.2208561827 0.25554798061693818 . . . 1 15 ILE HN 17226 2 6 . 1 1 16 16 TYR H H 1 13.0080504989 0.19288046816022944 . . . 1 16 TYR HN 17226 2 7 . 1 1 17 17 ASP H H 1 13.684381302 0.17942049555198303 . . . 1 17 ASP HN 17226 2 8 . 1 1 19 19 ILE H H 1 12.9238110699 0.16030034348818289 . . . 1 19 ILE HN 17226 2 9 . 1 1 20 20 GLY H H 1 13.3950279977 0.13867342772372454 . . . 1 20 GLY HN 17226 2 10 . 1 1 21 21 GLY H H 1 12.3509688801 0.1223428915679356 . . . 1 21 GLY HN 17226 2 11 . 1 1 22 22 HIS H H 1 13.8821376225 0.18571250785935367 . . . 1 22 HIS HN 17226 2 12 . 1 1 23 23 GLU H H 1 15.3973208156 0.1772367666384331 . . . 1 23 GLU HN 17226 2 13 . 1 1 24 24 ALA H H 1 13.5531167801 0.093717628349379634 . . . 1 24 ALA HN 17226 2 14 . 1 1 25 25 ILE H H 1 14.6742547429 0.18786038813930736 . . . 1 25 ILE HN 17226 2 15 . 1 1 26 26 GLU H H 1 16.1689970271 0.23354024539154913 . . . 1 26 GLU HN 17226 2 16 . 1 1 28 28 VAL H H 1 14.1078880683 0.15409647834613574 . . . 1 28 VAL HN 17226 2 17 . 1 1 30 30 GLU H H 1 16.2053280301 0.16161455047997919 . . . 1 30 GLU HN 17226 2 18 . 1 1 31 31 ASP H H 1 15.8759592925 0.18343635260198904 . . . 1 31 ASP HN 17226 2 19 . 1 1 32 32 PHE H H 1 15.1133928258 0.17545703221106965 . . . 1 32 PHE HN 17226 2 20 . 1 1 33 33 TYR H H 1 15.7422774581 0.18907845209263482 . . . 1 33 TYR HN 17226 2 21 . 1 1 34 34 VAL H H 1 15.4442115379 0.13968368412407081 . . . 1 34 VAL HN 17226 2 22 . 1 1 35 35 ARG H H 1 15.3208374016 0.21905626672455406 . . . 1 35 ARG HN 17226 2 23 . 1 1 36 36 VAL H H 1 14.580746052 0.17911528184042899 . . . 1 36 VAL HN 17226 2 24 . 1 1 37 37 LEU H H 1 16.2460936789 0.18825095623123816 . . . 1 37 LEU HN 17226 2 25 . 1 1 38 38 ALA H H 1 15.6324934382 0.16507281697484216 . . . 1 38 ALA HN 17226 2 26 . 1 1 39 39 ASP H H 1 12.3476157706 0.10332538318374042 . . . 1 39 ASP HN 17226 2 27 . 1 1 40 40 ASP H H 1 12.789671655 0.12092869124452046 . . . 1 40 ASP HN 17226 2 28 . 1 1 41 41 GLN H H 1 14.468229703 0.12752162012766768 . . . 1 41 GLN HN 17226 2 29 . 1 1 42 42 LEU H H 1 12.9531411412 0.15114619409084665 . . . 1 42 LEU HN 17226 2 30 . 1 1 43 43 SER H H 1 12.4358649434 0.10189807815497995 . . . 1 43 SER HN 17226 2 31 . 1 1 44 44 ALA H H 1 12.8936565915 0.097325790744918955 . . . 1 44 ALA HN 17226 2 32 . 1 1 45 45 PHE H H 1 12.7421878364 0.097264647528682011 . . . 1 45 PHE HN 17226 2 33 . 1 1 46 46 PHE H H 1 12.6065835789 0.15357220590083348 . . . 1 46 PHE HN 17226 2 34 . 1 1 47 47 SER H H 1 13.1926893475 0.071118832601030427 . . . 1 47 SER HN 17226 2 35 . 1 1 49 49 THR H H 1 12.0091866868 0.088622498068733652 . . . 1 49 THR HN 17226 2 36 . 1 1 51 51 MET H H 1 14.6250589063 0.5032558518240654 . . . 1 51 MET HN 17226 2 37 . 1 1 52 52 SER H H 1 15.0503974355 0.38858538685502053 . . . 1 52 SER HN 17226 2 38 . 1 1 53 53 ARG H H 1 14.386843825 0.15101187725843662 . . . 1 53 ARG HN 17226 2 39 . 1 1 55 55 LYS H H 1 13.7761285042 0.16892001212612626 . . . 1 55 LYS HN 17226 2 40 . 1 1 56 56 GLY H H 1 14.6379741601 0.16949373462737008 . . . 1 56 GLY HN 17226 2 41 . 1 1 58 58 GLN H H 1 13.079269419 0.14878158310599268 . . . 1 58 GLN HN 17226 2 42 . 1 1 59 59 VAL H H 1 13.8482731546 0.15854945044167965 . . . 1 59 VAL HN 17226 2 43 . 1 1 60 60 GLU H H 1 14.5811721129 0.1370332856249761 . . . 1 60 GLU HN 17226 2 44 . 1 1 61 61 PHE H H 1 14.1607428843 0.16302398475496724 . . . 1 61 PHE HN 17226 2 45 . 1 1 62 62 PHE H H 1 13.8810507638 0.17551161934453685 . . . 1 62 PHE HN 17226 2 46 . 1 1 63 63 ALA H H 1 14.3034627367 0.12550304571733079 . . . 1 63 ALA HN 17226 2 47 . 1 1 64 64 ALA H H 1 14.607843223 0.11980613888752328 . . . 1 64 ALA HN 17226 2 48 . 1 1 66 66 LEU H H 1 12.5363767261 0.15144416033073718 . . . 1 66 LEU HN 17226 2 49 . 1 1 67 67 GLY H H 1 15.9144218361 0.1919543169256849 . . . 1 67 GLY HN 17226 2 50 . 1 1 68 68 GLY H H 1 14.9731623843 0.18723510079360084 . . . 1 68 GLY HN 17226 2 51 . 1 1 70 70 GLU H H 1 10.9922564665 0.12166767721535815 . . . 1 70 GLU HN 17226 2 52 . 1 1 72 72 TYR H H 1 11.3431864841 0.10475160796060762 . . . 1 72 TYR HN 17226 2 53 . 1 1 73 73 THR H H 1 12.6214509701 0.23178438960243891 . . . 1 73 THR HN 17226 2 54 . 1 1 75 75 ALA H H 1 12.0196027313 0.1272400571330545 . . . 1 75 ALA HN 17226 2 55 . 1 1 77 77 MET H H 1 15.6275948412 0.33724541896951588 . . . 1 77 MET HN 17226 2 56 . 1 1 78 78 LYS H H 1 14.1299693206 0.25930591199151565 . . . 1 78 LYS HN 17226 2 57 . 1 1 79 79 GLN H H 1 12.4667010838 0.10194828477144961 . . . 1 79 GLN HN 17226 2 58 . 1 1 80 80 VAL H H 1 15.3598060346 0.16835125218524427 . . . 1 80 VAL HN 17226 2 59 . 1 1 81 81 HIS H H 1 12.9457619441 0.3330588621291144 . . . 1 81 HIS HN 17226 2 60 . 1 1 82 82 GLN H H 1 12.9659705144 0.1062032375417922 . . . 1 82 GLN HN 17226 2 61 . 1 1 83 83 GLY H H 1 13.3502496912 0.15094858149882992 . . . 1 83 GLY HN 17226 2 62 . 1 1 84 84 ARG H H 1 12.7665969658 0.18829410284655354 . . . 1 84 ARG HN 17226 2 63 . 1 1 85 85 GLY H H 1 11.8655303555 0.12520711251173433 . . . 1 85 GLY HN 17226 2 64 . 1 1 86 86 ILE H H 1 12.1664431448 0.20071009153308936 . . . 1 86 ILE HN 17226 2 65 . 1 1 87 87 THR H H 1 14.1671527759 0.12326035553518486 . . . 1 87 THR HN 17226 2 66 . 1 1 90 90 HIS H H 1 14.9488116243 0.1606850882880137 . . . 1 90 HIS HN 17226 2 67 . 1 1 91 91 PHE H H 1 15.1391891163 0.11949483000676228 . . . 1 91 PHE HN 17226 2 68 . 1 1 92 92 SER H H 1 14.8365666519 0.15723992176536022 . . . 1 92 SER HN 17226 2 69 . 1 1 93 93 LEU H H 1 14.4133930337 0.17259020887416018 . . . 1 93 LEU HN 17226 2 70 . 1 1 94 94 VAL H H 1 15.1695640075 0.1238491372664849 . . . 1 94 VAL HN 17226 2 71 . 1 1 95 95 ALA H H 1 16.3431835783 0.17980400759162113 . . . 1 95 ALA HN 17226 2 72 . 1 1 96 96 GLY H H 1 14.8683349607 0.13048052088847625 . . . 1 96 GLY HN 17226 2 73 . 1 1 97 97 HIS H H 1 14.6586676404 0.16140850680228591 . . . 1 97 HIS HN 17226 2 74 . 1 1 98 98 LEU H H 1 14.7309030417 0.099499873871532751 . . . 1 98 LEU HN 17226 2 75 . 1 1 99 99 ALA H H 1 15.7113182594 0.14020401674759495 . . . 1 99 ALA HN 17226 2 76 . 1 1 100 100 ASP H H 1 15.01559947 0.14481293565809708 . . . 1 100 ASP HN 17226 2 77 . 1 1 101 101 ALA H H 1 14.9122367085 0.19275428449474369 . . . 1 101 ALA HN 17226 2 78 . 1 1 102 102 LEU H H 1 15.7174571695 0.17597573628207538 . . . 1 102 LEU HN 17226 2 79 . 1 1 103 103 THR H H 1 15.6851349095 0.12878679447877867 . . . 1 103 THR HN 17226 2 80 . 1 1 104 104 ALA H H 1 13.8519537118 0.10230272240330281 . . . 1 104 ALA HN 17226 2 81 . 1 1 105 105 ALA H H 1 15.2031536539 0.15743136324900561 . . . 1 105 ALA HN 17226 2 82 . 1 1 112 112 ILE H H 1 14.5393875121 0.1025969733406937 . . . 1 112 ILE HN 17226 2 83 . 1 1 114 114 GLU H H 1 13.6912276492 0.11122390735912746 . . . 1 114 GLU HN 17226 2 84 . 1 1 115 115 ILE H H 1 12.7054614649 0.13751840978598337 . . . 1 115 ILE HN 17226 2 85 . 1 1 116 116 LEU H H 1 14.7622734283 0.15388753410859701 . . . 1 116 LEU HN 17226 2 86 . 1 1 117 117 GLY H H 1 14.8634516863 0.13376919400938028 . . . 1 117 GLY HN 17226 2 87 . 1 1 118 118 VAL H H 1 13.1473020558 0.11417326783066889 . . . 1 118 VAL HN 17226 2 88 . 1 1 119 119 ILE H H 1 14.1007353731 0.18773911778958313 . . . 1 119 ILE HN 17226 2 89 . 1 1 120 120 ALA H H 1 13.8440679056 0.12378338131876809 . . . 1 120 ALA HN 17226 2 90 . 1 1 122 122 LEU H H 1 13.7155332504 0.12740362182209405 . . . 1 122 LEU HN 17226 2 91 . 1 1 123 123 ALA H H 1 14.370228834 0.10422106936299415 . . . 1 123 ALA HN 17226 2 92 . 1 1 124 124 VAL H H 1 14.99195275 0.1226843559092379 . . . 1 124 VAL HN 17226 2 93 . 1 1 125 125 ASP H H 1 12.966663614 0.10820591232551972 . . . 1 125 ASP HN 17226 2 94 . 1 1 126 126 VAL H H 1 14.6561654389 0.19926811750515075 . . . 1 126 VAL HN 17226 2 95 . 1 1 127 127 THR H H 1 14.0721075527 0.17150734675548746 . . . 1 127 THR HN 17226 2 96 . 1 1 129 129 GLY H H 1 7.6327905665 0.23993343733926562 . . . 1 129 GLY HN 17226 2 97 . 1 1 130 130 GLU H H 1 6.14647375279 0.069057847370384062 . . . 1 130 GLU HN 17226 2 98 . 1 1 133 133 THR H H 1 3.37492586215 0.14524743235243479 . . . 1 133 THR HN 17226 2 99 . 1 1 134 134 ALA H H 1 2.78928186988 0.019336358315877867 . . . 1 134 ALA HN 17226 2 100 . 1 1 136 136 VAL H H 1 1.11678735433 0.0044101915380507497 . . . 1 136 VAL HN 17226 2 stop_ save_ ###################### # Order parameters # ###################### save_order_parameter_list_1 _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameter_list_1 _Order_parameter_list.Entry_ID 17226 _Order_parameter_list.ID 1 _Order_parameter_list.Sample_condition_list_ID 1 _Order_parameter_list.Sample_condition_list_label $sample_conditions_1 _Order_parameter_list.Tau_e_val_units . _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units . _Order_parameter_list.Rex_field_strength . _Order_parameter_list.Rex_val_units . _Order_parameter_list.Details . _Order_parameter_list.Text_data_format . _Order_parameter_list.Text_data . loop_ _Order_parameter_experiment.Experiment_ID _Order_parameter_experiment.Experiment_name _Order_parameter_experiment.Sample_ID _Order_parameter_experiment.Sample_label _Order_parameter_experiment.Sample_state _Order_parameter_experiment.Entry_ID _Order_parameter_experiment.Order_parameter_list_ID 1 '2D 1H-15N HSQC' . . . 17226 1 stop_ loop_ _Order_parameter_software.Software_ID _Order_parameter_software.Software_label _Order_parameter_software.Method_ID _Order_parameter_software.Method_label _Order_parameter_software.Entry_ID _Order_parameter_software.Order_parameter_list_ID 6 $ModelFree . . 17226 1 stop_ loop_ _Order_param.ID _Order_param.Assembly_atom_ID _Order_param.Entity_assembly_ID _Order_param.Entity_ID _Order_param.Comp_index_ID _Order_param.Seq_ID _Order_param.Comp_ID _Order_param.Atom_ID _Order_param.Atom_type _Order_param.Atom_isotope_number _Order_param.Order_param_val _Order_param.Order_param_val_fit_err _Order_param.Tau_e_val _Order_param.Tau_e_val_fit_err _Order_param.Tau_f_val _Order_param.Tau_f_val_fit_err _Order_param.Tau_s_val _Order_param.Tau_s_val_fit_err _Order_param.Rex_val _Order_param.Rex_val_fit_err _Order_param.Model_free_sum_squared_errs _Order_param.Model_fit _Order_param.Sf2_val _Order_param.Sf2_val_fit_err _Order_param.Ss2_val _Order_param.Ss2_val_fit_err _Order_param.SH2_val _Order_param.SH2_val_fit_err _Order_param.SN2_val _Order_param.SN2_val_fit_err _Order_param.Resonance_ID _Order_param.Auth_entity_assembly_ID _Order_param.Auth_seq_ID _Order_param.Auth_comp_ID _Order_param.Auth_atom_ID _Order_param.Entry_ID _Order_param.Order_parameter_list_ID 1 . 1 1 7 7 LEU H H 1 0.324 0.021 . . . . . . . . . . . . . . . . . . . . 7 LEU H 17226 1 2 . 1 1 11 11 GLU H H 1 0.439 0.014 . . . . . . . . . . . . . . . . . . . . 11 GLU H 17226 1 3 . 1 1 13 13 ILE H H 1 0.492 0.010 . . . . . . . . . . . . . . . . . . . . 13 ILE H 17226 1 4 . 1 1 14 14 SER H H 1 0.857 0.016 . . . . . . . . . . . . . . . . . . . . 14 SER H 17226 1 5 . 1 1 15 15 ILE H H 1 0.923 0.022 . . . . . . . . . . . . . . . . . . . . 15 ILE H 17226 1 6 . 1 1 16 16 TYR H H 1 0.917 0.020 . . . . . . . . . . . . . . . . . . . . 16 TYR H 17226 1 7 . 1 1 17 17 ASP H H 1 0.928 0.018 . . . . . . . . . . . . . . . . . . . . 17 ASP H 17226 1 8 . 1 1 19 19 ILE H H 1 0.891 0.018 . . . . . . . . . . . . . . . . . . . . 19 ILE H 17226 1 9 . 1 1 20 20 GLY H H 1 0.889 0.015 . . . . . . . . . . . . . . . . . . . . 20 GLY H 17226 1 10 . 1 1 21 21 GLY H H 1 0.873 0.014 . . . . . . . . . . . . . . . . . . . . 21 GLY H 17226 1 11 . 1 1 22 22 HIS H H 1 0.928 0.018 . . . . . . . . . . . . . . . . . . . . 22 HIS H 17226 1 12 . 1 1 23 23 GLU H H 1 0.913 0.016 . . . . . . . . . . . . . . . . . . . . 23 GLU H 17226 1 13 . 1 1 24 24 ALA H H 1 0.820 0.013 . . . . . . . . . . . . . . . . . . . . 24 ALA H 17226 1 14 . 1 1 25 25 ILE H H 1 0.902 0.017 . . . . . . . . . . . . . . . . . . . . 25 ILE H 17226 1 15 . 1 1 26 26 GLU H H 1 0.947 0.018 . . . . . . . . . . . . . . . . . . . . 26 GLU H 17226 1 16 . 1 1 28 28 VAL H H 1 0.881 0.015 . . . . . . . . . . . . . . . . . . . . 28 VAL H 17226 1 17 . 1 1 30 30 GLU H H 1 0.876 0.019 . . . . . . . . . . . . . . . . . . . . 30 GLU H 17226 1 18 . 1 1 31 31 ASP H H 1 0.927 0.016 . . . . . . . . . . . . . . . . . . . . 31 ASP H 17226 1 19 . 1 1 32 32 PHE H H 1 0.927 0.017 . . . . . . . . . . . . . . . . . . . . 32 PHE H 17226 1 20 . 1 1 33 33 TYR H H 1 0.894 0.022 . . . . . . . . . . . . . . . . . . . . 33 TYR H 17226 1 21 . 1 1 34 34 VAL H H 1 0.900 0.015 . . . . . . . . . . . . . . . . . . . . 34 VAL H 17226 1 22 . 1 1 35 35 ARG H H 1 0.917 0.019 . . . . . . . . . . . . . . . . . . . . 35 ARG H 17226 1 23 . 1 1 36 36 VAL H H 1 0.909 0.018 . . . . . . . . . . . . . . . . . . . . 36 VAL H 17226 1 24 . 1 1 37 37 LEU H H 1 0.952 0.017 . . . . . . . . . . . . . . . . . . . . 37 LEU H 17226 1 25 . 1 1 38 38 ALA H H 1 0.918 0.016 . . . . . . . . . . . . . . . . . . . . 38 ALA H 17226 1 26 . 1 1 39 39 ASP H H 1 0.853 0.014 . . . . . . . . . . . . . . . . . . . . 39 ASP H 17226 1 27 . 1 1 40 40 ASP H H 1 0.897 0.016 . . . . . . . . . . . . . . . . . . . . 40 ASP H 17226 1 28 . 1 1 41 41 GLN H H 1 0.900 0.016 . . . . . . . . . . . . . . . . . . . . 41 GLN H 17226 1 29 . 1 1 42 42 LEU H H 1 0.884 0.018 . . . . . . . . . . . . . . . . . . . . 42 LEU H 17226 1 30 . 1 1 43 43 SER H H 1 0.872 0.014 . . . . . . . . . . . . . . . . . . . . 43 SER H 17226 1 31 . 1 1 44 44 ALA H H 1 0.888 0.016 . . . . . . . . . . . . . . . . . . . . 44 ALA H 17226 1 32 . 1 1 45 45 PHE H H 1 0.887 0.015 . . . . . . . . . . . . . . . . . . . . 45 PHE H 17226 1 33 . 1 1 46 46 PHE H H 1 0.889 0.017 . . . . . . . . . . . . . . . . . . . . 46 PHE H 17226 1 34 . 1 1 47 47 SER H H 1 0.889 0.013 . . . . . . . . . . . . . . . . . . . . 47 SER H 17226 1 35 . 1 1 49 49 THR H H 1 0.858 0.014 . . . . . . . . . . . . . . . . . . . . 49 THR H 17226 1 36 . 1 1 51 51 MET H H 1 0.963 0.030 . . . . . . . . . . . . . . . . . . . . 51 MET H 17226 1 37 . 1 1 52 52 SER H H 1 0.940 0.028 . . . . . . . . . . . . . . . . . . . . 52 SER H 17226 1 38 . 1 1 53 53 ARG H H 1 0.904 0.016 . . . . . . . . . . . . . . . . . . . . 53 ARG H 17226 1 39 . 1 1 55 55 LYS H H 1 0.913 0.018 . . . . . . . . . . . . . . . . . . . . 55 LYS H 17226 1 40 . 1 1 56 56 GLY H H 1 0.905 0.017 . . . . . . . . . . . . . . . . . . . . 56 GLY H 17226 1 41 . 1 1 58 58 GLN H H 1 0.896 0.017 . . . . . . . . . . . . . . . . . . . . 58 GLN H 17226 1 42 . 1 1 59 59 VAL H H 1 0.899 0.016 . . . . . . . . . . . . . . . . . . . . 59 VAL H 17226 1 43 . 1 1 60 60 GLU H H 1 0.904 0.016 . . . . . . . . . . . . . . . . . . . . 60 GLU H 17226 1 44 . 1 1 61 61 PHE H H 1 0.921 0.016 . . . . . . . . . . . . . . . . . . . . 61 PHE H 17226 1 45 . 1 1 62 62 PHE H H 1 0.931 0.017 . . . . . . . . . . . . . . . . . . . . 62 PHE H 17226 1 46 . 1 1 63 63 ALA H H 1 0.927 0.016 . . . . . . . . . . . . . . . . . . . . 63 ALA H 17226 1 47 . 1 1 64 64 ALA H H 1 0.903 0.016 . . . . . . . . . . . . . . . . . . . . 64 ALA H 17226 1 48 . 1 1 66 66 LEU H H 1 0.872 0.016 . . . . . . . . . . . . . . . . . . . . 66 LEU H 17226 1 49 . 1 1 67 67 GLY H H 1 0.933 0.017 . . . . . . . . . . . . . . . . . . . . 67 GLY H 17226 1 50 . 1 1 68 68 GLY H H 1 0.912 0.016 . . . . . . . . . . . . . . . . . . . . 68 GLY H 17226 1 51 . 1 1 70 70 GLU H H 1 0.781 0.016 . . . . . . . . . . . . . . . . . . . . 70 GLU H 17226 1 52 . 1 1 72 72 TYR H H 1 0.788 0.014 . . . . . . . . . . . . . . . . . . . . 72 TYR H 17226 1 53 . 1 1 73 73 THR H H 1 0.907 0.022 . . . . . . . . . . . . . . . . . . . . 73 THR H 17226 1 54 . 1 1 75 75 ALA H H 1 0.809 0.017 . . . . . . . . . . . . . . . . . . . . 75 ALA H 17226 1 55 . 1 1 77 77 MET H H 1 0.974 0.021 . . . . . . . . . . . . . . . . . . . . 77 MET H 17226 1 56 . 1 1 78 78 LYS H H 1 0.932 0.022 . . . . . . . . . . . . . . . . . . . . 78 LYS H 17226 1 57 . 1 1 79 79 GLN H H 1 0.747 0.014 . . . . . . . . . . . . . . . . . . . . 79 GLN H 17226 1 58 . 1 1 80 80 VAL H H 1 0.889 0.018 . . . . . . . . . . . . . . . . . . . . 80 VAL H 17226 1 59 . 1 1 81 81 HIS H H 1 0.875 0.023 . . . . . . . . . . . . . . . . . . . . 81 HIS H 17226 1 60 . 1 1 82 82 GLN H H 1 0.842 0.013 . . . . . . . . . . . . . . . . . . . . 82 GLN H 17226 1 61 . 1 1 83 83 GLY H H 1 0.779 0.019 . . . . . . . . . . . . . . . . . . . . 83 GLY H 17226 1 62 . 1 1 84 84 ARG H H 1 0.742 0.032 . . . . . . . . . . . . . . . . . . . . 84 ARG H 17226 1 63 . 1 1 85 85 GLY H H 1 0.858 0.014 . . . . . . . . . . . . . . . . . . . . 85 GLY H 17226 1 64 . 1 1 86 86 ILE H H 1 0.859 0.021 . . . . . . . . . . . . . . . . . . . . 86 ILE H 17226 1 65 . 1 1 87 87 THR H H 1 0.789 0.019 . . . . . . . . . . . . . . . . . . . . 87 THR H 17226 1 66 . 1 1 90 90 HIS H H 1 0.857 0.021 . . . . . . . . . . . . . . . . . . . . 90 HIS H 17226 1 67 . 1 1 91 91 PHE H H 1 0.821 0.018 . . . . . . . . . . . . . . . . . . . . 91 PHE H 17226 1 68 . 1 1 92 92 SER H H 1 0.865 0.022 . . . . . . . . . . . . . . . . . . . . 92 SER H 17226 1 69 . 1 1 93 93 LEU H H 1 0.895 0.016 . . . . . . . . . . . . . . . . . . . . 93 LEU H 17226 1 70 . 1 1 94 94 VAL H H 1 0.857 0.018 . . . . . . . . . . . . . . . . . . . . 94 VAL H 17226 1 71 . 1 1 95 95 ALA H H 1 0.860 0.019 . . . . . . . . . . . . . . . . . . . . 95 ALA H 17226 1 72 . 1 1 96 96 GLY H H 1 0.889 0.015 . . . . . . . . . . . . . . . . . . . . 96 GLY H 17226 1 73 . 1 1 97 97 HIS H H 1 0.898 0.015 . . . . . . . . . . . . . . . . . . . . 97 HIS H 17226 1 74 . 1 1 98 98 LEU H H 1 0.817 0.016 . . . . . . . . . . . . . . . . . . . . 98 LEU H 17226 1 75 . 1 1 99 99 ALA H H 1 0.877 0.017 . . . . . . . . . . . . . . . . . . . . 99 ALA H 17226 1 76 . 1 1 100 100 ASP H H 1 0.922 0.015 . . . . . . . . . . . . . . . . . . . . 100 ASP H 17226 1 77 . 1 1 101 101 ALA H H 1 0.836 0.021 . . . . . . . . . . . . . . . . . . . . 101 ALA H 17226 1 78 . 1 1 102 102 LEU H H 1 0.837 0.019 . . . . . . . . . . . . . . . . . . . . 102 LEU H 17226 1 79 . 1 1 103 103 THR H H 1 0.940 0.015 . . . . . . . . . . . . . . . . . . . . 103 THR H 17226 1 80 . 1 1 104 104 ALA H H 1 0.872 0.014 . . . . . . . . . . . . . . . . . . . . 104 ALA H 17226 1 81 . 1 1 105 105 ALA H H 1 0.779 0.017 . . . . . . . . . . . . . . . . . . . . 105 ALA H 17226 1 82 . 1 1 106 106 GLY H H 1 0.828 0.021 . . . . . . . . . . . . . . . . . . . . 106 GLY H 17226 1 83 . 1 1 112 112 ILE H H 1 0.855 0.017 . . . . . . . . . . . . . . . . . . . . 112 ILE H 17226 1 84 . 1 1 114 114 GLU H H 1 0.893 0.015 . . . . . . . . . . . . . . . . . . . . 114 GLU H 17226 1 85 . 1 1 115 115 ILE H H 1 0.882 0.015 . . . . . . . . . . . . . . . . . . . . 115 ILE H 17226 1 86 . 1 1 116 116 LEU H H 1 0.952 0.017 . . . . . . . . . . . . . . . . . . . . 116 LEU H 17226 1 87 . 1 1 117 117 GLY H H 1 0.899 0.015 . . . . . . . . . . . . . . . . . . . . 117 GLY H 17226 1 88 . 1 1 118 118 VAL H H 1 0.880 0.016 . . . . . . . . . . . . . . . . . . . . 118 VAL H 17226 1 89 . 1 1 119 119 ILE H H 1 0.912 0.019 . . . . . . . . . . . . . . . . . . . . 119 ILE H 17226 1 90 . 1 1 120 120 ALA H H 1 0.882 0.015 . . . . . . . . . . . . . . . . . . . . 120 ALA H 17226 1 91 . 1 1 122 122 LEU H H 1 0.886 0.015 . . . . . . . . . . . . . . . . . . . . 122 LEU H 17226 1 92 . 1 1 123 123 ALA H H 1 0.907 0.015 . . . . . . . . . . . . . . . . . . . . 123 ALA H 17226 1 93 . 1 1 124 124 VAL H H 1 0.862 0.014 . . . . . . . . . . . . . . . . . . . . 124 VAL H 17226 1 94 . 1 1 125 125 ASP H H 1 0.780 0.014 . . . . . . . . . . . . . . . . . . . . 125 ASP H 17226 1 95 . 1 1 126 126 VAL H H 1 0.914 0.018 . . . . . . . . . . . . . . . . . . . . 126 VAL H 17226 1 96 . 1 1 127 127 THR H H 1 0.874 0.017 . . . . . . . . . . . . . . . . . . . . 127 THR H 17226 1 97 . 1 1 129 129 GLY H H 1 0.434 0.030 . . . . . . . . . . . . . . . . . . . . 129 GLY H 17226 1 98 . 1 1 130 130 GLU H H 1 0.323 0.009 . . . . . . . . . . . . . . . . . . . . 130 GLU H 17226 1 99 . 1 1 133 133 THR H H 1 0.166 0.018 . . . . . . . . . . . . . . . . . . . . 133 THR H 17226 1 100 . 1 1 134 134 ALA H H 1 0.132 0.003 . . . . . . . . . . . . . . . . . . . . 134 ALA H 17226 1 101 . 1 1 136 136 VAL H H 1 0.030 0.001 . . . . . . . . . . . . . . . . . . . . 136 VAL H 17226 1 stop_ save_