data_15562 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15562 _Entry.Title ; Solution Structure of S. cerevisiae PDCD5-like Protein Ymr074cp ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-25 _Entry.Accession_date 2007-11-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Jingjun Hong . . . 15562 2 Jiahai Zhang . . . 15562 3 Zhijun Liu . . . 15562 4 Yunyu Shi . . . 15562 5 Jihui Wu . . . 15562 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'NPPSFA, National Project on Protein Structural and Functional Analyses' 'not applicable' . 15562 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ymr074cp . 15562 'PDCD5-like protein' . 15562 NMR . 15562 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15562 coupling_constants 1 15562 RDCs 2 15562 order_parameters 1 15562 heteronucl_T1_relaxation 2 15562 heteronucl_T2_relaxation 2 15562 heteronucl_NOEs 2 15562 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 703 15562 '13C chemical shifts' 466 15562 '15N chemical shifts' 118 15562 'coupling constants' 58 15562 'residual dipolar couplings' 161 15562 'heteronuclear NOE values' 179 15562 'T1 relaxation values' 175 15562 'T2 relaxation values' 173 15562 'order parameters' 43 15562 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 3 . . 2011-03-29 2007-11-25 update BMRB 'comp_index_ID and comp_ID and other tag values corrected' 15562 2 . . 2009-08-21 2007-11-25 update BMRB 'complete entry citation' 15562 1 . . 2009-06-17 2007-11-25 original author 'original release' 15562 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1eij 'NMR ENSEMBLE OF METHANOBACTERIUM THERMOAUTOTROPHICUM PROTEIN 1615' 15562 PDB 2cru 'Solution structure of programmed cell death 5' 15562 PDB 2fh0 'NMR Ensemble of The Yeast Saccharomyces cerevisiae protein Ymr074cp core region' 15562 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15562 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19469552 _Citation.Full_citation . _Citation.Title 'Solution structure of S. cerevisiae PDCD5-like protein and its promoting role in H(2)O(2)-induced apoptosis in yeast.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 48 _Citation.Journal_issue 29 _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 6824 _Citation.Page_last 6834 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jingjun Hong . . . 15562 1 2 Jiahai Zhang . . . 15562 1 3 Zhijun Liu . . . 15562 1 4 Su Qin . . . 15562 1 5 Jihui Wu . . . 15562 1 6 Yunyu Shi . . . 15562 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15562 _Assembly.ID 1 _Assembly.Name 'Ymr074cp (1-116) monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $N116 A . yes native no no . . . 15562 1 2 MSL_1 2 $entity_MTN B . no native no no . . . 15562 1 3 MSL_2 2 $entity_MTN C . no native no no . . . 15562 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_N116 _Entity.Sf_category entity _Entity.Sf_framecode N116 _Entity.Entry_ID 15562 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name N116 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDPELQAIREARLAQLKNNS GGTNGDRNSGANNGGGENSA PVGAAIANFLEPQALERLSR VALVRRDRAQAVETYLKKLI ATNNVTHKITEAEIVSILNG IAKQQNSQNNSKIIFEAAAL EHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 117-127 represent a his tag' _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Ymr074cp (1-116)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12577.217 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2FH0 . "Nmr Ensemble Of The Yeast Saccharomyces Cerevisiae Protein Ymr074cp Core Region" . . . . . 63.78 81 100.00 100.00 4.86e-48 . . . . 15562 1 2 no PDB 2JXN . "Solution Structure Of S. Cerevisiae Pdcd5-Like Protein Ymr074cp" . . . . . 100.00 127 98.43 98.43 1.98e-83 . . . . 15562 1 3 no DBJ GAA25515 . "K7_Ymr074cp [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 91.34 145 100.00 100.00 1.28e-75 . . . . 15562 1 4 no EMBL CAA88799 . "unknown [Saccharomyces cerevisiae]" . . . . . 91.34 145 100.00 100.00 1.28e-75 . . . . 15562 1 5 no EMBL CAY81892 . "EC1118_1M3_2399p [Saccharomyces cerevisiae EC1118]" . . . . . 91.34 145 99.14 99.14 3.65e-74 . . . . 15562 1 6 no GB AHY76530 . "hypothetical protein H779_YJM993M00217 [Saccharomyces cerevisiae YJM993]" . . . . . 91.34 145 100.00 100.00 1.28e-75 . . . . 15562 1 7 no GB AJP40773 . "hypothetical protein F842_YJM1078M00217 [Saccharomyces cerevisiae YJM1078]" . . . . . 91.34 145 100.00 100.00 1.28e-75 . . . . 15562 1 8 no GB AJS61942 . "hypothetical protein H747_YJM189M00210 [Saccharomyces cerevisiae YJM189]" . . . . . 91.34 145 100.00 100.00 1.28e-75 . . . . 15562 1 9 no GB AJS62378 . "hypothetical protein H748_YJM193M00217 [Saccharomyces cerevisiae YJM193]" . . . . . 91.34 145 100.00 100.00 1.28e-75 . . . . 15562 1 10 no GB AJS62816 . "hypothetical protein H749_YJM195M00217 [Saccharomyces cerevisiae YJM195]" . . . . . 91.34 145 100.00 100.00 1.28e-75 . . . . 15562 1 11 no REF NP_013790 . "hypothetical protein YMR074C [Saccharomyces cerevisiae S288c]" . . . . . 91.34 145 100.00 100.00 1.28e-75 . . . . 15562 1 12 no SP Q04773 . "RecName: Full=Uncharacterized protein YMR074C" . . . . . 91.34 145 100.00 100.00 1.28e-75 . . . . 15562 1 13 no TPG DAA09972 . "TPA: hypothetical protein YMR074C [Saccharomyces cerevisiae S288c]" . . . . . 91.34 145 100.00 100.00 1.28e-75 . . . . 15562 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 . 15562 1 2 . ASP . 15562 1 3 . PRO . 15562 1 4 . GLU . 15562 1 5 . LEU . 15562 1 6 . GLN . 15562 1 7 . ALA . 15562 1 8 . ILE . 15562 1 9 . ARG . 15562 1 10 . GLU . 15562 1 11 . ALA . 15562 1 12 . ARG . 15562 1 13 . LEU . 15562 1 14 . ALA . 15562 1 15 . GLN . 15562 1 16 . LEU . 15562 1 17 . LYS . 15562 1 18 . ASN . 15562 1 19 . ASN . 15562 1 20 . SER . 15562 1 21 . GLY . 15562 1 22 . GLY . 15562 1 23 . THR . 15562 1 24 . ASN . 15562 1 25 . GLY . 15562 1 26 . ASP . 15562 1 27 . ARG . 15562 1 28 . ASN . 15562 1 29 . SER . 15562 1 30 . GLY . 15562 1 31 . ALA . 15562 1 32 . ASN . 15562 1 33 . ASN . 15562 1 34 . GLY . 15562 1 35 . GLY . 15562 1 36 . GLY . 15562 1 37 . GLU . 15562 1 38 . ASN . 15562 1 39 . SER . 15562 1 40 . ALA . 15562 1 41 . PRO . 15562 1 42 . VAL . 15562 1 43 . GLY . 15562 1 44 . ALA . 15562 1 45 . ALA . 15562 1 46 . ILE . 15562 1 47 . ALA . 15562 1 48 . ASN . 15562 1 49 . PHE . 15562 1 50 . LEU . 15562 1 51 . GLU . 15562 1 52 . PRO . 15562 1 53 . GLN . 15562 1 54 . ALA . 15562 1 55 . LEU . 15562 1 56 . GLU . 15562 1 57 . ARG . 15562 1 58 . LEU . 15562 1 59 . SER . 15562 1 60 . ARG . 15562 1 61 . VAL . 15562 1 62 . ALA . 15562 1 63 . LEU . 15562 1 64 . VAL . 15562 1 65 . ARG . 15562 1 66 . ARG . 15562 1 67 . ASP . 15562 1 68 . ARG . 15562 1 69 . ALA . 15562 1 70 . GLN . 15562 1 71 . ALA . 15562 1 72 . VAL . 15562 1 73 . GLU . 15562 1 74 . THR . 15562 1 75 . TYR . 15562 1 76 . LEU . 15562 1 77 . LYS . 15562 1 78 . LYS . 15562 1 79 . LEU . 15562 1 80 . ILE . 15562 1 81 . ALA . 15562 1 82 . THR . 15562 1 83 . ASN . 15562 1 84 . ASN . 15562 1 85 . VAL . 15562 1 86 . THR . 15562 1 87 . HIS . 15562 1 88 . LYS . 15562 1 89 . ILE . 15562 1 90 . THR . 15562 1 91 . GLU . 15562 1 92 . ALA . 15562 1 93 . GLU . 15562 1 94 . ILE . 15562 1 95 . VAL . 15562 1 96 . SER . 15562 1 97 . ILE . 15562 1 98 . LEU . 15562 1 99 . ASN . 15562 1 100 . GLY . 15562 1 101 . ILE . 15562 1 102 . ALA . 15562 1 103 . LYS . 15562 1 104 . GLN . 15562 1 105 . GLN . 15562 1 106 . ASN . 15562 1 107 . SER . 15562 1 108 . GLN . 15562 1 109 . ASN . 15562 1 110 . ASN . 15562 1 111 . SER . 15562 1 112 . LYS . 15562 1 113 . ILE . 15562 1 114 . ILE . 15562 1 115 . PHE . 15562 1 116 . GLU . 15562 1 117 . ALA . 15562 1 118 . ALA . 15562 1 119 . ALA . 15562 1 120 . LEU . 15562 1 121 . GLU . 15562 1 122 . HIS . 15562 1 123 . HIS . 15562 1 124 . HIS . 15562 1 125 . HIS . 15562 1 126 . HIS . 15562 1 127 . HIS . 15562 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 15562 1 . ASP 2 2 15562 1 . PRO 3 3 15562 1 . GLU 4 4 15562 1 . LEU 5 5 15562 1 . GLN 6 6 15562 1 . ALA 7 7 15562 1 . ILE 8 8 15562 1 . ARG 9 9 15562 1 . GLU 10 10 15562 1 . ALA 11 11 15562 1 . ARG 12 12 15562 1 . LEU 13 13 15562 1 . ALA 14 14 15562 1 . GLN 15 15 15562 1 . LEU 16 16 15562 1 . LYS 17 17 15562 1 . ASN 18 18 15562 1 . ASN 19 19 15562 1 . SER 20 20 15562 1 . GLY 21 21 15562 1 . GLY 22 22 15562 1 . THR 23 23 15562 1 . ASN 24 24 15562 1 . GLY 25 25 15562 1 . ASP 26 26 15562 1 . ARG 27 27 15562 1 . ASN 28 28 15562 1 . SER 29 29 15562 1 . GLY 30 30 15562 1 . ALA 31 31 15562 1 . ASN 32 32 15562 1 . ASN 33 33 15562 1 . GLY 34 34 15562 1 . GLY 35 35 15562 1 . GLY 36 36 15562 1 . GLU 37 37 15562 1 . ASN 38 38 15562 1 . SER 39 39 15562 1 . ALA 40 40 15562 1 . PRO 41 41 15562 1 . VAL 42 42 15562 1 . GLY 43 43 15562 1 . ALA 44 44 15562 1 . ALA 45 45 15562 1 . ILE 46 46 15562 1 . ALA 47 47 15562 1 . ASN 48 48 15562 1 . PHE 49 49 15562 1 . LEU 50 50 15562 1 . GLU 51 51 15562 1 . PRO 52 52 15562 1 . GLN 53 53 15562 1 . ALA 54 54 15562 1 . LEU 55 55 15562 1 . GLU 56 56 15562 1 . ARG 57 57 15562 1 . LEU 58 58 15562 1 . SER 59 59 15562 1 . ARG 60 60 15562 1 . VAL 61 61 15562 1 . ALA 62 62 15562 1 . LEU 63 63 15562 1 . VAL 64 64 15562 1 . ARG 65 65 15562 1 . ARG 66 66 15562 1 . ASP 67 67 15562 1 . ARG 68 68 15562 1 . ALA 69 69 15562 1 . GLN 70 70 15562 1 . ALA 71 71 15562 1 . VAL 72 72 15562 1 . GLU 73 73 15562 1 . THR 74 74 15562 1 . TYR 75 75 15562 1 . LEU 76 76 15562 1 . LYS 77 77 15562 1 . LYS 78 78 15562 1 . LEU 79 79 15562 1 . ILE 80 80 15562 1 . ALA 81 81 15562 1 . THR 82 82 15562 1 . ASN 83 83 15562 1 . ASN 84 84 15562 1 . VAL 85 85 15562 1 . THR 86 86 15562 1 . HIS 87 87 15562 1 . LYS 88 88 15562 1 . ILE 89 89 15562 1 . THR 90 90 15562 1 . GLU 91 91 15562 1 . ALA 92 92 15562 1 . GLU 93 93 15562 1 . ILE 94 94 15562 1 . VAL 95 95 15562 1 . SER 96 96 15562 1 . ILE 97 97 15562 1 . LEU 98 98 15562 1 . ASN 99 99 15562 1 . GLY 100 100 15562 1 . ILE 101 101 15562 1 . ALA 102 102 15562 1 . LYS 103 103 15562 1 . GLN 104 104 15562 1 . GLN 105 105 15562 1 . ASN 106 106 15562 1 . SER 107 107 15562 1 . GLN 108 108 15562 1 . ASN 109 109 15562 1 . ASN 110 110 15562 1 . SER 111 111 15562 1 . LYS 112 112 15562 1 . ILE 113 113 15562 1 . ILE 114 114 15562 1 . PHE 115 115 15562 1 . GLU 116 116 15562 1 . ALA 117 117 15562 1 . ALA 118 118 15562 1 . ALA 119 119 15562 1 . LEU 120 120 15562 1 . GLU 121 121 15562 1 . HIS 122 122 15562 1 . HIS 123 123 15562 1 . HIS 124 124 15562 1 . HIS 125 125 15562 1 . HIS 126 126 15562 1 . HIS 127 127 15562 1 stop_ save_ save_entity_MTN _Entity.Sf_category entity _Entity.Sf_framecode entity_MTN _Entity.Entry_ID 15562 _Entity.ID 2 _Entity.BMRB_code MTN _Entity.Name 'S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate' _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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MTN _Entity.Nonpolymer_comp_label $chem_comp_MTN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 264.385 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate' BMRB 15562 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate' BMRB 15562 2 MTN 'Three letter code' 15562 2 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 1 MTN $chem_comp_MTN 15562 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 MTN C1 15562 2 2 1 MTN C12 15562 2 3 1 MTN C2 15562 2 4 1 MTN C3 15562 2 5 1 MTN C4 15562 2 6 1 MTN C5 15562 2 7 1 MTN C6 15562 2 8 1 MTN C7 15562 2 9 1 MTN C8 15562 2 10 1 MTN C9 15562 2 11 1 MTN H1 15562 2 12 1 MTN H2 15562 2 13 1 MTN H3 15562 2 14 1 MTN H4 15562 2 15 1 MTN H41 15562 2 16 1 MTN H42 15562 2 17 1 MTN H61 15562 2 18 1 MTN H62 15562 2 19 1 MTN H63 15562 2 20 1 MTN H71 15562 2 21 1 MTN H72 15562 2 22 1 MTN H73 15562 2 23 1 MTN H81 15562 2 24 1 MTN H82 15562 2 25 1 MTN H83 15562 2 26 1 MTN H91 15562 2 27 1 MTN H92 15562 2 28 1 MTN H93 15562 2 29 1 MTN N1 15562 2 30 1 MTN O1 15562 2 31 1 MTN O2 15562 2 32 1 MTN O3 15562 2 33 1 MTN S1 15562 2 34 1 MTN S2 15562 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15562 _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 $N116 . 4932 organism . 'SACCHAROMYCES CEREVISIAE' . . . Eukaryota Fungi SACCHAROMYCES CEREVISIAE S288C . . . . . . . . . . . . . . . YMR074C . ; Ymr074cp (1-116) Residues 117-127 represent a his tag ; . . 15562 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 15562 _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 $N116 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PET-22B(+) . . . . . . 15562 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MTN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MTN _Chem_comp.Entry_ID 15562 _Chem_comp.ID MTN _Chem_comp.Provenance PDB _Chem_comp.Name 'S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MTN _Chem_comp.PDB_code MTN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MTN _Chem_comp.Number_atoms_all 34 _Chem_comp.Number_atoms_nh 16 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3 _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 MTSL _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H18 N O3 S2' _Chem_comp.Formula_weight 264.385 _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 yes _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1RF8 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC1(C)C=C(CS[S](C)(=O)=O)C(C)(C)N1[O] SMILES CACTVS 3.370 15562 MTN CC1(C)C=C(CS[S](C)(=O)=O)C(C)(C)N1[O] SMILES_CANONICAL CACTVS 3.370 15562 MTN CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C SMILES 'OpenEye OEToolkits' 1.7.2 15562 MTN CC1(C=C(C(N1[O])(C)C)CSS(=O)(=O)C)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.2 15562 MTN InChI=1S/C10H19NO3S2/c1-9(2)6-8(7-15-16(5,13)14)10(3,4)11(9)12/h6,12H,7H2,1-5H3 InChI InChI 1.03 15562 MTN MXZPGYFBZHBAQM-UHFFFAOYSA-N InChIKey InChI 1.03 15562 MTN ON1C(C=C(CSS(=O)(=O)C)C1(C)C)(C)C SMILES ACDLabs 12.01 15562 MTN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 1-$l^{1}-oxidanyl-2,2,5,5-tetramethyl-3-(methylsulfonylsulfanylmethyl)pyrrole 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.2 15562 MTN 'S-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate' 'SYSTEMATIC NAME' ACDLabs 12.01 15562 MTN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 17.521 . 7.823 . -13.537 . 2.148 1.189 -0.144 3 . 15562 MTN C12 C12 C12 C12 . C . . N 0 . . . 1 no yes . . . . . . . . . . -3.780 0.714 -1.186 31 . 15562 MTN C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 16.479 . 6.769 . -13.589 . 0.870 0.884 -0.891 4 . 15562 MTN C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . 16.848 . 5.689 . -14.251 . 0.568 -0.381 -0.740 5 . 15562 MTN C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . 16.002 . 4.479 . -14.456 . -0.636 -1.065 -1.334 6 . 15562 MTN C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . 18.251 . 5.793 . -14.797 . 1.614 -1.049 0.123 8 . 15562 MTN C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 19.170 . 4.680 . -14.311 . 0.946 -1.955 1.159 9 . 15562 MTN C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 18.201 . 5.826 . -16.320 . 2.580 -1.857 -0.746 10 . 15562 MTN C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . 17.056 . 9.071 . -14.270 . 3.325 1.266 -1.118 11 . 15562 MTN C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . 17.927 . 8.146 . -12.101 . 2.010 2.504 0.627 12 . 15562 MTN H1 H1 H1 H1 . H . . N 0 . . . 1 no yes . . . . . . . . . . -4.272 1.684 -1.116 33 . 15562 MTN H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 15.508 . 6.876 . -13.128 . 0.295 1.599 -1.461 13 . 15562 MTN H3 H3 H3 H3 . H . . N 0 . . . 1 no yes . . . . . . . . . . -3.183 0.674 -2.097 34 . 15562 MTN H4 H4 H4 H4 . H . . N 0 . . . 1 no yes . . . . . . . . . . -4.531 -0.075 -1.209 32 . 15562 MTN H41 H41 H41 H41 . H . . N 0 . . . 1 no no . . . . 15.980 . 4.264 . -15.535 . -1.073 -0.429 -2.103 14 . 15562 MTN H42 H42 H42 H42 . H . . N 0 . . . 1 no no . . . . 16.460 . 3.651 . -13.895 . -0.333 -2.014 -1.777 15 . 15562 MTN H61 H61 H61 H61 . H . . N 0 . . . 1 no no . . . . 18.835 . 3.719 . -14.728 . 0.254 -1.368 1.763 16 . 15562 MTN H62 H62 H62 H62 . H . . N 0 . . . 1 no no . . . . 20.199 . 4.884 . -14.641 . 0.401 -2.749 0.649 17 . 15562 MTN H63 H63 H63 H63 . H . . N 0 . . . 1 no no . . . . 19.140 . 4.633 . -13.212 . 1.708 -2.393 1.803 18 . 15562 MTN H71 H71 H71 H71 . H . . N 0 . . . 1 no no . . . . 17.949 . 4.825 . -16.701 . 3.429 -2.178 -0.142 19 . 15562 MTN H72 H72 H72 H72 . H . . N 0 . . . 1 no no . . . . 17.435 . 6.545 . -16.646 . 2.066 -2.731 -1.144 20 . 15562 MTN H73 H73 H73 H73 . H . . N 0 . . . 1 no no . . . . 19.182 . 6.131 . -16.712 . 2.934 -1.237 -1.569 21 . 15562 MTN H81 H81 H81 H81 . H . . N 0 . . . 1 no no . . . . 16.258 . 9.560 . -13.692 . 3.322 0.386 -1.762 22 . 15562 MTN H82 H82 H82 H82 . H . . N 0 . . . 1 no no . . . . 17.902 . 9.764 . -14.387 . 3.234 2.164 -1.730 23 . 15562 MTN H83 H83 H83 H83 . H . . N 0 . . . 1 no no . . . . 16.671 . 8.792 . -15.262 . 4.259 1.303 -0.557 24 . 15562 MTN H91 H91 H91 H91 . H . . N 0 . . . 1 no no . . . . 17.090 . 8.639 . -11.585 . 2.910 2.675 1.217 25 . 15562 MTN H92 H92 H92 H92 . H . . N 0 . . . 1 no no . . . . 18.185 . 7.215 . -11.575 . 1.875 3.325 -0.077 26 . 15562 MTN H93 H93 H93 H93 . H . . N 0 . . . 1 no no . . . . 18.799 . 8.817 . -12.109 . 1.146 2.447 1.289 27 . 15562 MTN N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 18.593 . 7.157 . -14.304 . 2.332 0.059 0.797 2 . 15562 MTN O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 19.719 . 7.694 . -14.530 . 3.751 -0.260 0.961 1 . 15562 MTN O2 O2 O2 O2 . O . . N 0 . . . 1 no yes . . . . . . . . . . -3.473 0.334 1.437 29 . 15562 MTN O3 O3 O3 O3 . O . . N 0 . . . 1 no yes . . . . . . . . . . -1.599 1.375 0.202 30 . 15562 MTN S1 S1 S1 S1 . S . . N 0 . . . 1 no no . . . . 14.280 . 4.648 . -13.889 . -1.862 -1.370 -0.033 7 . 15562 MTN S2 S2 S2 S2 . S . . N 0 . . . 1 no yes . . . . . . . . . . -2.700 0.479 0.253 28 . 15562 MTN stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O1 N1 no N 1 . 15562 MTN 2 . SING N1 C1 no N 2 . 15562 MTN 3 . SING N1 C5 no N 3 . 15562 MTN 4 . SING C1 C2 no N 4 . 15562 MTN 5 . SING C1 C8 no N 5 . 15562 MTN 6 . SING C1 C9 no N 6 . 15562 MTN 7 . DOUB C2 C3 no N 7 . 15562 MTN 8 . SING C2 H2 no N 8 . 15562 MTN 9 . SING C3 C4 no N 9 . 15562 MTN 10 . SING C3 C5 no N 10 . 15562 MTN 11 . SING C4 S1 no N 11 . 15562 MTN 12 . SING C4 H41 no N 12 . 15562 MTN 13 . SING C4 H42 no N 13 . 15562 MTN 14 . SING C5 C6 no N 14 . 15562 MTN 15 . SING C5 C7 no N 15 . 15562 MTN 16 . SING C6 H61 no N 16 . 15562 MTN 17 . SING C6 H62 no N 17 . 15562 MTN 18 . SING C6 H63 no N 18 . 15562 MTN 19 . SING C7 H71 no N 19 . 15562 MTN 20 . SING C7 H72 no N 20 . 15562 MTN 21 . SING C7 H73 no N 21 . 15562 MTN 22 . SING C8 H81 no N 22 . 15562 MTN 23 . SING C8 H82 no N 23 . 15562 MTN 24 . SING C8 H83 no N 24 . 15562 MTN 25 . SING C9 H91 no N 25 . 15562 MTN 26 . SING C9 H92 no N 26 . 15562 MTN 27 . SING C9 H93 no N 27 . 15562 MTN 28 . SING S1 S2 no N 28 . 15562 MTN 29 . DOUB S2 O2 no N 29 . 15562 MTN 30 . DOUB S2 O3 no N 30 . 15562 MTN 31 . SING S2 C12 no N 31 . 15562 MTN 32 . SING C12 H4 no N 32 . 15562 MTN 33 . SING C12 H1 no N 33 . 15562 MTN 34 . SING C12 H3 no N 34 . 15562 MTN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15562 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'N116 A7C attached MTSL' _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 'N116 A7C' '[U-100% 15N]' . . 1 $N116 . . 0.2 . . mM . . . . 15562 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15562 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15562 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15562 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15562 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15562 1 7 '1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate' 'natural abundance' . . . . . . 0.2 . . mM . . . . 15562 1 8 ascorbate 'natural abundance' . . . . . . 1 . . mM . . . . 15562 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15562 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details N116 _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 N116 '[U-100% 13C; U-100% 15N]' . . 1 $N116 . . 1 . . mM . . . . 15562 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15562 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15562 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15562 2 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15562 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15562 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15562 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'N116 A7C attached MTSL' _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 'N116 A7C' '[U-100% 15N]' . . 1 $N116 . . 0.2 . . mM . . . . 15562 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15562 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15562 3 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15562 3 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15562 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15562 3 7 '1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate' 'natural abundance' . . . . . . 0.2 . . mM . . . . 15562 3 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15562 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details N116 _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 N116 '[U-100% 13C; U-100% 15N]' . . 1 $N116 . . 1 . . mM . . . . 15562 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15562 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15562 4 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15562 4 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 15562 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 15562 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details N116 _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 N116 '[U-100% 15N]' . . 1 $N116 . . 1 . . mM . . . . 15562 5 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15562 5 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15562 5 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15562 5 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15562 5 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15562 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 15562 _Sample.ID 6 _Sample.Type gel _Sample.Sub_type . _Sample.Details 'To provide weak alignment of molecule' _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 N116 '[U-100% 15N]' . . 1 $N116 . . 1 . . mM . . . . 15562 6 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15562 6 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15562 6 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15562 6 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15562 6 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15562 6 7 'polyacrylamide gel' 'natural abundance' . . . . . . '7 or 8' . . % . . . . 15562 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 15562 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'N116 A11C attached MTSL' _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 'N116 A11C' '[U-100% 15N]' . . 1 $N116 . . 0.2 . . mM . . . . 15562 7 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15562 7 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15562 7 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15562 7 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15562 7 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15562 7 7 '1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate' 'natural abundance' . . . . . . 0.2 . . mM . . . . 15562 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 15562 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'N116 A11C attached MTSL' _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 'N116 A11C' '[U-100% 15N]' . . 1 $N116 . . 0.2 . . mM . . . . 15562 8 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15562 8 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15562 8 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15562 8 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15562 8 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15562 8 7 '1-oxyl-2, 2, 5, 5-tetramethyl-3-pyrroline-3-methylmethanethiosulfonate' 'natural abundance' . . . . . . 0.2 . . mM . . . . 15562 8 8 ascorbate 'natural abundance' . . . . . . 1 . . mM . . . . 15562 8 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 15562 _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 temperature 298 . K 15562 1 pH 6.0 . pH 15562 1 pressure 1 . atm 15562 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 15562 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'for H_D exchange experiments' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 295 . K 15562 2 pH 6.0 . pH 15562 2 pressure 1 . atm 15562 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15562 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15562 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15562 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15562 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15562 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15562 2 'chemical shift assignment' 15562 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15562 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15562 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15562 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15562 _Software.ID 4 _Software.Name X-PLOR_NIH _Software.Version 2.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15562 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15562 4 refinement 15562 4 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 15562 _Software.ID 5 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Th' . . 15562 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 15562 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15562 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15562 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15562 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 15562 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15562 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15562 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15562 1 2 spectrometer_2 Bruker Avance . 500 . . . 15562 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 15562 _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 . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 3 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15562 1 4 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 6 $sample_6 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15562 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 6 '3D CBCANH' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 7 '3D HNCA' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 9 '3D HNCO' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 10 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 11 '3D C(CO)NH-TOCSY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 12 '3D HBHA(CBCACO)NH' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 13 '3D H(CCO)NH-TOCSY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 14 '3D 15N-edited-NOESY-HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 15 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 17 '3D 13C-edited-NOESY-HSQC' no . . . . . . . . . . 4 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 18 'H-D exchange' no . . . . . . . . . . 4 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 19 'NMR relaxation' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 20 'NMR relaxation' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15562 1 21 '2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 1 22 '2D 1H-15N HSQC' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15562 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 15562 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15562 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15562 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15562 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15562 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '13C chemical shift error of 0.2 for CO' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 5 '3D CBCA(CO)NH' . . . 15562 1 6 '3D CBCANH' . . . 15562 1 7 '3D HNCA' . . . 15562 1 8 '3D HN(CO)CA' . . . 15562 1 9 '3D HNCO' . . . 15562 1 10 '3D HN(CA)CO' . . . 15562 1 11 '3D C(CO)NH-TOCSY' . . . 15562 1 12 '3D HBHA(CBCACO)NH' . . . 15562 1 13 '3D H(CCO)NH-TOCSY' . . . 15562 1 14 '3D 15N-edited-NOESY-HSQC' . . . 15562 1 15 '3D HCCH-COSY' . . . 15562 1 16 '3D HCCH-TOCSY' . . . 15562 1 17 '3D 13C-edited-NOESY-HSQC' . . . 15562 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 15562 1 2 $SPARKY . . 15562 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.04 0.02 . 1 . . . . 1 MET HA . 15562 1 2 . 1 1 1 1 MET HB2 H 1 2.08 0.02 . 2 . . . . 1 MET HB2 . 15562 1 3 . 1 1 1 1 MET HG2 H 1 2.55 0.02 . 2 . . . . 1 MET HG2 . 15562 1 4 . 1 1 1 1 MET HG3 H 1 2.51 0.02 . 2 . . . . 1 MET HG3 . 15562 1 5 . 1 1 1 1 MET C C 13 171.91 0.2 . 1 . . . . 1 MET C . 15562 1 6 . 1 1 1 1 MET CA C 13 54.71 0.1 . 1 . . . . 1 MET CA . 15562 1 7 . 1 1 1 1 MET CB C 13 32.99 0.1 . 1 . . . . 1 MET CB . 15562 1 8 . 1 1 1 1 MET CG C 13 30.74 0.1 . 1 . . . . 1 MET CG . 15562 1 9 . 1 1 2 2 ASP H H 1 8.76 0.02 . 1 . . . . 2 ASP H . 15562 1 10 . 1 1 2 2 ASP HA H 1 4.88 0.02 . 1 . . . . 2 ASP HA . 15562 1 11 . 1 1 2 2 ASP HB2 H 1 2.75 0.02 . 2 . . . . 2 ASP HB2 . 15562 1 12 . 1 1 2 2 ASP HB3 H 1 2.55 0.02 . 2 . . . . 2 ASP HB3 . 15562 1 13 . 1 1 2 2 ASP C C 13 174.48 0.2 . 1 . . . . 2 ASP C . 15562 1 14 . 1 1 2 2 ASP CA C 13 52.73 0.1 . 1 . . . . 2 ASP CA . 15562 1 15 . 1 1 2 2 ASP CB C 13 41.11 0.1 . 1 . . . . 2 ASP CB . 15562 1 16 . 1 1 2 2 ASP N N 15 126.02 0.1 . 1 . . . . 2 ASP N . 15562 1 17 . 1 1 3 3 PRO HA H 1 4.32 0.02 . 1 . . . . 3 PRO HA . 15562 1 18 . 1 1 3 3 PRO HB2 H 1 2.29 0.02 . 2 . . . . 3 PRO HB2 . 15562 1 19 . 1 1 3 3 PRO HB3 H 1 1.92 0.02 . 2 . . . . 3 PRO HB3 . 15562 1 20 . 1 1 3 3 PRO HD2 H 1 3.89 0.02 . 2 . . . . 3 PRO HD2 . 15562 1 21 . 1 1 3 3 PRO HD3 H 1 3.81 0.02 . 2 . . . . 3 PRO HD3 . 15562 1 22 . 1 1 3 3 PRO HG2 H 1 2.02 0.02 . 2 . . . . 3 PRO HG2 . 15562 1 23 . 1 1 3 3 PRO C C 13 178.07 0.2 . 1 . . . . 3 PRO C . 15562 1 24 . 1 1 3 3 PRO CA C 13 63.93 0.1 . 1 . . . . 3 PRO CA . 15562 1 25 . 1 1 3 3 PRO CB C 13 32.17 0.1 . 1 . . . . 3 PRO CB . 15562 1 26 . 1 1 3 3 PRO CD C 13 50.91 0.1 . 1 . . . . 3 PRO CD . 15562 1 27 . 1 1 3 3 PRO CG C 13 27.31 0.1 . 1 . . . . 3 PRO CG . 15562 1 28 . 1 1 4 4 GLU H H 1 8.53 0.02 . 1 . . . . 4 GLU H . 15562 1 29 . 1 1 4 4 GLU HA H 1 4.15 0.02 . 1 . . . . 4 GLU HA . 15562 1 30 . 1 1 4 4 GLU HB2 H 1 1.98 0.02 . 2 . . . . 4 GLU HB2 . 15562 1 31 . 1 1 4 4 GLU HG2 H 1 2.26 0.02 . 2 . . . . 4 GLU HG2 . 15562 1 32 . 1 1 4 4 GLU HG3 H 1 2.2 0.02 . 2 . . . . 4 GLU HG3 . 15562 1 33 . 1 1 4 4 GLU C C 13 177.68 0.2 . 1 . . . . 4 GLU C . 15562 1 34 . 1 1 4 4 GLU CA C 13 57.87 0.1 . 1 . . . . 4 GLU CA . 15562 1 35 . 1 1 4 4 GLU CB C 13 29.64 0.1 . 1 . . . . 4 GLU CB . 15562 1 36 . 1 1 4 4 GLU CG C 13 36.5 0.1 . 1 . . . . 4 GLU CG . 15562 1 37 . 1 1 4 4 GLU N N 15 119.97 0.1 . 1 . . . . 4 GLU N . 15562 1 38 . 1 1 5 5 LEU H H 1 7.84 0.02 . 1 . . . . 5 LEU H . 15562 1 39 . 1 1 5 5 LEU HA H 1 4.17 0.02 . 1 . . . . 5 LEU HA . 15562 1 40 . 1 1 5 5 LEU HB2 H 1 1.63 0.02 . 2 . . . . 5 LEU HB2 . 15562 1 41 . 1 1 5 5 LEU HD11 H 1 0.91 0.02 . 1 . . . . 5 LEU HD1 . 15562 1 42 . 1 1 5 5 LEU HD12 H 1 0.91 0.02 . 1 . . . . 5 LEU HD1 . 15562 1 43 . 1 1 5 5 LEU HD13 H 1 0.91 0.02 . 1 . . . . 5 LEU HD1 . 15562 1 44 . 1 1 5 5 LEU HD21 H 1 0.85 0.02 . 1 . . . . 5 LEU HD2 . 15562 1 45 . 1 1 5 5 LEU HD22 H 1 0.85 0.02 . 1 . . . . 5 LEU HD2 . 15562 1 46 . 1 1 5 5 LEU HD23 H 1 0.85 0.02 . 1 . . . . 5 LEU HD2 . 15562 1 47 . 1 1 5 5 LEU HG H 1 1.61 0.02 . 1 . . . . 5 LEU HG . 15562 1 48 . 1 1 5 5 LEU C C 13 178.73 0.2 . 1 . . . . 5 LEU C . 15562 1 49 . 1 1 5 5 LEU CA C 13 56.37 0.1 . 1 . . . . 5 LEU CA . 15562 1 50 . 1 1 5 5 LEU CB C 13 41.88 0.1 . 1 . . . . 5 LEU CB . 15562 1 51 . 1 1 5 5 LEU CD1 C 13 24.73 0.1 . 1 . . . . 5 LEU CD1 . 15562 1 52 . 1 1 5 5 LEU CD2 C 13 23.27 0.1 . 1 . . . . 5 LEU CD2 . 15562 1 53 . 1 1 5 5 LEU CG C 13 27.06 0.1 . 1 . . . . 5 LEU CG . 15562 1 54 . 1 1 5 5 LEU N N 15 121.44 0.1 . 1 . . . . 5 LEU N . 15562 1 55 . 1 1 6 6 GLN H H 1 8.25 0.02 . 1 . . . . 6 GLN H . 15562 1 56 . 1 1 6 6 GLN HA H 1 4 0.02 . 1 . . . . 6 GLN HA . 15562 1 57 . 1 1 6 6 GLN HB2 H 1 2.02 0.02 . 2 . . . . 6 GLN HB2 . 15562 1 58 . 1 1 6 6 GLN HE21 H 1 7.61 0.02 . 2 . . . . 6 GLN HE21 . 15562 1 59 . 1 1 6 6 GLN HG2 H 1 2.32 0.02 . 2 . . . . 6 GLN HG2 . 15562 1 60 . 1 1 6 6 GLN C C 13 177 0.2 . 1 . . . . 6 GLN C . 15562 1 61 . 1 1 6 6 GLN CA C 13 58.22 0.1 . 1 . . . . 6 GLN CA . 15562 1 62 . 1 1 6 6 GLN CB C 13 28.38 0.1 . 1 . . . . 6 GLN CB . 15562 1 63 . 1 1 6 6 GLN CG C 13 33.2 0.1 . 1 . . . . 6 GLN CG . 15562 1 64 . 1 1 6 6 GLN N N 15 120.54 0.1 . 1 . . . . 6 GLN N . 15562 1 65 . 1 1 6 6 GLN NE2 N 15 112.45 0.1 . 1 . . . . 6 GLN NE2 . 15562 1 66 . 1 1 7 7 ALA H H 1 8 0.02 . 1 . . . . 7 ALA H . 15562 1 67 . 1 1 7 7 ALA HA H 1 4.15 0.02 . 1 . . . . 7 ALA HA . 15562 1 68 . 1 1 7 7 ALA HB1 H 1 1.41 0.02 . 1 . . . . 7 ALA HB . 15562 1 69 . 1 1 7 7 ALA HB2 H 1 1.41 0.02 . 1 . . . . 7 ALA HB . 15562 1 70 . 1 1 7 7 ALA HB3 H 1 1.41 0.02 . 1 . . . . 7 ALA HB . 15562 1 71 . 1 1 7 7 ALA C C 13 179.97 0.2 . 1 . . . . 7 ALA C . 15562 1 72 . 1 1 7 7 ALA CA C 13 54.32 0.1 . 1 . . . . 7 ALA CA . 15562 1 73 . 1 1 7 7 ALA CB C 13 18.75 0.1 . 1 . . . . 7 ALA CB . 15562 1 74 . 1 1 7 7 ALA N N 15 121.66 0.1 . 1 . . . . 7 ALA N . 15562 1 75 . 1 1 8 8 ILE H H 1 7.68 0.02 . 1 . . . . 8 ILE H . 15562 1 76 . 1 1 8 8 ILE HA H 1 3.85 0.02 . 1 . . . . 8 ILE HA . 15562 1 77 . 1 1 8 8 ILE HB H 1 1.91 0.02 . 1 . . . . 8 ILE HB . 15562 1 78 . 1 1 8 8 ILE HD11 H 1 0.81 0.02 . 1 . . . . 8 ILE HD1 . 15562 1 79 . 1 1 8 8 ILE HD12 H 1 0.81 0.02 . 1 . . . . 8 ILE HD1 . 15562 1 80 . 1 1 8 8 ILE HD13 H 1 0.81 0.02 . 1 . . . . 8 ILE HD1 . 15562 1 81 . 1 1 8 8 ILE HG12 H 1 1.6 0.02 . 2 . . . . 8 ILE HG12 . 15562 1 82 . 1 1 8 8 ILE HG13 H 1 1.16 0.02 . 2 . . . . 8 ILE HG13 . 15562 1 83 . 1 1 8 8 ILE HG21 H 1 0.88 0.02 . 1 . . . . 8 ILE HG2 . 15562 1 84 . 1 1 8 8 ILE HG22 H 1 0.88 0.02 . 1 . . . . 8 ILE HG2 . 15562 1 85 . 1 1 8 8 ILE HG23 H 1 0.88 0.02 . 1 . . . . 8 ILE HG2 . 15562 1 86 . 1 1 8 8 ILE C C 13 177.74 0.2 . 1 . . . . 8 ILE C . 15562 1 87 . 1 1 8 8 ILE CA C 13 63.52 0.1 . 1 . . . . 8 ILE CA . 15562 1 88 . 1 1 8 8 ILE CB C 13 38.11 0.1 . 1 . . . . 8 ILE CB . 15562 1 89 . 1 1 8 8 ILE CD1 C 13 13.56 0.1 . 1 . . . . 8 ILE CD1 . 15562 1 90 . 1 1 8 8 ILE CG1 C 13 28.41 0.1 . 1 . . . . 8 ILE CG1 . 15562 1 91 . 1 1 8 8 ILE CG2 C 13 17.9 0.1 . 1 . . . . 8 ILE CG2 . 15562 1 92 . 1 1 8 8 ILE N N 15 119.61 0.1 . 1 . . . . 8 ILE N . 15562 1 93 . 1 1 9 9 ARG H H 1 8.05 0.02 . 1 . . . . 9 ARG H . 15562 1 94 . 1 1 9 9 ARG HA H 1 4.03 0.02 . 1 . . . . 9 ARG HA . 15562 1 95 . 1 1 9 9 ARG HB2 H 1 1.85 0.02 . 2 . . . . 9 ARG HB2 . 15562 1 96 . 1 1 9 9 ARG HD2 H 1 3.14 0.02 . 2 . . . . 9 ARG HD2 . 15562 1 97 . 1 1 9 9 ARG HG2 H 1 1.66 0.02 . 2 . . . . 9 ARG HG2 . 15562 1 98 . 1 1 9 9 ARG HG3 H 1 1.52 0.02 . 2 . . . . 9 ARG HG3 . 15562 1 99 . 1 1 9 9 ARG C C 13 178.21 0.2 . 1 . . . . 9 ARG C . 15562 1 100 . 1 1 9 9 ARG CA C 13 58.65 0.1 . 1 . . . . 9 ARG CA . 15562 1 101 . 1 1 9 9 ARG CB C 13 30.05 0.1 . 1 . . . . 9 ARG CB . 15562 1 102 . 1 1 9 9 ARG CD C 13 43.65 0.1 . 1 . . . . 9 ARG CD . 15562 1 103 . 1 1 9 9 ARG CG C 13 27.42 0.1 . 1 . . . . 9 ARG CG . 15562 1 104 . 1 1 9 9 ARG N N 15 122.36 0.1 . 1 . . . . 9 ARG N . 15562 1 105 . 1 1 10 10 GLU H H 1 8.36 0.02 . 1 . . . . 10 GLU H . 15562 1 106 . 1 1 10 10 GLU HA H 1 3.99 0.02 . 1 . . . . 10 GLU HA . 15562 1 107 . 1 1 10 10 GLU HB2 H 1 1.99 0.02 . 2 . . . . 10 GLU HB2 . 15562 1 108 . 1 1 10 10 GLU HG2 H 1 2.37 0.02 . 2 . . . . 10 GLU HG2 . 15562 1 109 . 1 1 10 10 GLU HG3 H 1 2.24 0.02 . 2 . . . . 10 GLU HG3 . 15562 1 110 . 1 1 10 10 GLU C C 13 178.26 0.2 . 1 . . . . 10 GLU C . 15562 1 111 . 1 1 10 10 GLU CA C 13 58.58 0.1 . 1 . . . . 10 GLU CA . 15562 1 112 . 1 1 10 10 GLU CB C 13 29.53 0.1 . 1 . . . . 10 GLU CB . 15562 1 113 . 1 1 10 10 GLU CG C 13 36.51 0.1 . 1 . . . . 10 GLU CG . 15562 1 114 . 1 1 10 10 GLU N N 15 119.21 0.1 . 1 . . . . 10 GLU N . 15562 1 115 . 1 1 11 11 ALA H H 1 7.97 0.02 . 1 . . . . 11 ALA H . 15562 1 116 . 1 1 11 11 ALA HA H 1 4.18 0.02 . 1 . . . . 11 ALA HA . 15562 1 117 . 1 1 11 11 ALA HB1 H 1 1.42 0.02 . 1 . . . . 11 ALA HB . 15562 1 118 . 1 1 11 11 ALA HB2 H 1 1.42 0.02 . 1 . . . . 11 ALA HB . 15562 1 119 . 1 1 11 11 ALA HB3 H 1 1.42 0.02 . 1 . . . . 11 ALA HB . 15562 1 120 . 1 1 11 11 ALA C C 13 179.45 0.2 . 1 . . . . 11 ALA C . 15562 1 121 . 1 1 11 11 ALA CA C 13 54.18 0.1 . 1 . . . . 11 ALA CA . 15562 1 122 . 1 1 11 11 ALA CB C 13 18.59 0.1 . 1 . . . . 11 ALA CB . 15562 1 123 . 1 1 11 11 ALA N N 15 123.07 0.1 . 1 . . . . 11 ALA N . 15562 1 124 . 1 1 12 12 ARG H H 1 8.03 0.02 . 1 . . . . 12 ARG H . 15562 1 125 . 1 1 12 12 ARG HA H 1 4.12 0.02 . 1 . . . . 12 ARG HA . 15562 1 126 . 1 1 12 12 ARG HB2 H 1 1.85 0.02 . 2 . . . . 12 ARG HB2 . 15562 1 127 . 1 1 12 12 ARG HD2 H 1 3.15 0.02 . 2 . . . . 12 ARG HD2 . 15562 1 128 . 1 1 12 12 ARG HG2 H 1 1.67 0.02 . 2 . . . . 12 ARG HG2 . 15562 1 129 . 1 1 12 12 ARG C C 13 178.11 0.2 . 1 . . . . 12 ARG C . 15562 1 130 . 1 1 12 12 ARG CA C 13 58.1 0.1 . 1 . . . . 12 ARG CA . 15562 1 131 . 1 1 12 12 ARG CB C 13 30.1 0.1 . 1 . . . . 12 ARG CB . 15562 1 132 . 1 1 12 12 ARG CD C 13 43.25 0.1 . 1 . . . . 12 ARG CD . 15562 1 133 . 1 1 12 12 ARG CG C 13 26.98 0.1 . 1 . . . . 12 ARG CG . 15562 1 134 . 1 1 12 12 ARG N N 15 118.95 0.1 . 1 . . . . 12 ARG N . 15562 1 135 . 1 1 13 13 LEU H H 1 7.97 0.02 . 1 . . . . 13 LEU H . 15562 1 136 . 1 1 13 13 LEU HA H 1 4.11 0.02 . 1 . . . . 13 LEU HA . 15562 1 137 . 1 1 13 13 LEU HB2 H 1 1.73 0.02 . 2 . . . . 13 LEU HB2 . 15562 1 138 . 1 1 13 13 LEU HB3 H 1 1.52 0.02 . 2 . . . . 13 LEU HB3 . 15562 1 139 . 1 1 13 13 LEU HD11 H 1 0.86 0.02 . 1 . . . . 13 LEU HD1 . 15562 1 140 . 1 1 13 13 LEU HD12 H 1 0.86 0.02 . 1 . . . . 13 LEU HD1 . 15562 1 141 . 1 1 13 13 LEU HD13 H 1 0.86 0.02 . 1 . . . . 13 LEU HD1 . 15562 1 142 . 1 1 13 13 LEU HD21 H 1 0.82 0.02 . 1 . . . . 13 LEU HD2 . 15562 1 143 . 1 1 13 13 LEU HD22 H 1 0.82 0.02 . 1 . . . . 13 LEU HD2 . 15562 1 144 . 1 1 13 13 LEU HD23 H 1 0.82 0.02 . 1 . . . . 13 LEU HD2 . 15562 1 145 . 1 1 13 13 LEU HG H 1 1.67 0.02 . 1 . . . . 13 LEU HG . 15562 1 146 . 1 1 13 13 LEU C C 13 178.6 0.2 . 1 . . . . 13 LEU C . 15562 1 147 . 1 1 13 13 LEU CA C 13 56.83 0.1 . 1 . . . . 13 LEU CA . 15562 1 148 . 1 1 13 13 LEU CB C 13 41.73 0.1 . 1 . . . . 13 LEU CB . 15562 1 149 . 1 1 13 13 LEU CD1 C 13 24.94 0.1 . 1 . . . . 13 LEU CD1 . 15562 1 150 . 1 1 13 13 LEU CD2 C 13 23 0.1 . 1 . . . . 13 LEU CD2 . 15562 1 151 . 1 1 13 13 LEU CG C 13 26.86 0.1 . 1 . . . . 13 LEU CG . 15562 1 152 . 1 1 13 13 LEU N N 15 120.4 0.1 . 1 . . . . 13 LEU N . 15562 1 153 . 1 1 14 14 ALA H H 1 7.92 0.02 . 1 . . . . 14 ALA H . 15562 1 154 . 1 1 14 14 ALA HA H 1 4.13 0.02 . 1 . . . . 14 ALA HA . 15562 1 155 . 1 1 14 14 ALA HB1 H 1 1.4 0.02 . 1 . . . . 14 ALA HB . 15562 1 156 . 1 1 14 14 ALA HB2 H 1 1.4 0.02 . 1 . . . . 14 ALA HB . 15562 1 157 . 1 1 14 14 ALA HB3 H 1 1.4 0.02 . 1 . . . . 14 ALA HB . 15562 1 158 . 1 1 14 14 ALA C C 13 178.83 0.2 . 1 . . . . 14 ALA C . 15562 1 159 . 1 1 14 14 ALA CA C 13 53.97 0.1 . 1 . . . . 14 ALA CA . 15562 1 160 . 1 1 14 14 ALA CB C 13 18.8 0.1 . 1 . . . . 14 ALA CB . 15562 1 161 . 1 1 14 14 ALA N N 15 122.16 0.1 . 1 . . . . 14 ALA N . 15562 1 162 . 1 1 15 15 GLN H H 1 7.85 0.02 . 1 . . . . 15 GLN H . 15562 1 163 . 1 1 15 15 GLN HA H 1 4.16 0.02 . 1 . . . . 15 GLN HA . 15562 1 164 . 1 1 15 15 GLN HB2 H 1 2.06 0.02 . 2 . . . . 15 GLN HB2 . 15562 1 165 . 1 1 15 15 GLN HE22 H 1 6.81 0.02 . 2 . . . . 15 GLN HE22 . 15562 1 166 . 1 1 15 15 GLN HG2 H 1 2.4 0.02 . 2 . . . . 15 GLN HG2 . 15562 1 167 . 1 1 15 15 GLN C C 13 176.95 0.2 . 1 . . . . 15 GLN C . 15562 1 168 . 1 1 15 15 GLN CA C 13 57.01 0.1 . 1 . . . . 15 GLN CA . 15562 1 169 . 1 1 15 15 GLN CB C 13 28.79 0.1 . 1 . . . . 15 GLN CB . 15562 1 170 . 1 1 15 15 GLN CG C 13 33.88 0.1 . 1 . . . . 15 GLN CG . 15562 1 171 . 1 1 15 15 GLN N N 15 117.54 0.1 . 1 . . . . 15 GLN N . 15562 1 172 . 1 1 15 15 GLN NE2 N 15 111.78 0.1 . 1 . . . . 15 GLN NE2 . 15562 1 173 . 1 1 16 16 LEU H H 1 7.86 0.02 . 1 . . . . 16 LEU H . 15562 1 174 . 1 1 16 16 LEU HA H 1 4.19 0.02 . 1 . . . . 16 LEU HA . 15562 1 175 . 1 1 16 16 LEU HB2 H 1 1.7 0.02 . 2 . . . . 16 LEU HB2 . 15562 1 176 . 1 1 16 16 LEU HB3 H 1 1.55 0.02 . 2 . . . . 16 LEU HB3 . 15562 1 177 . 1 1 16 16 LEU HD11 H 1 0.86 0.02 . 1 . . . . 16 LEU HD1 . 15562 1 178 . 1 1 16 16 LEU HD12 H 1 0.86 0.02 . 1 . . . . 16 LEU HD1 . 15562 1 179 . 1 1 16 16 LEU HD13 H 1 0.86 0.02 . 1 . . . . 16 LEU HD1 . 15562 1 180 . 1 1 16 16 LEU HD21 H 1 0.82 0.02 . 1 . . . . 16 LEU HD2 . 15562 1 181 . 1 1 16 16 LEU HD22 H 1 0.82 0.02 . 1 . . . . 16 LEU HD2 . 15562 1 182 . 1 1 16 16 LEU HD23 H 1 0.82 0.02 . 1 . . . . 16 LEU HD2 . 15562 1 183 . 1 1 16 16 LEU HG H 1 1.56 0.02 . 1 . . . . 16 LEU HG . 15562 1 184 . 1 1 16 16 LEU C C 13 177.92 0.2 . 1 . . . . 16 LEU C . 15562 1 185 . 1 1 16 16 LEU CA C 13 56.03 0.1 . 1 . . . . 16 LEU CA . 15562 1 186 . 1 1 16 16 LEU CB C 13 42 0.1 . 1 . . . . 16 LEU CB . 15562 1 187 . 1 1 16 16 LEU CD1 C 13 24.95 0.1 . 1 . . . . 16 LEU CD1 . 15562 1 188 . 1 1 16 16 LEU CD2 C 13 23.19 0.1 . 1 . . . . 16 LEU CD2 . 15562 1 189 . 1 1 16 16 LEU CG C 13 27.13 0.1 . 1 . . . . 16 LEU CG . 15562 1 190 . 1 1 16 16 LEU N N 15 121.06 0.1 . 1 . . . . 16 LEU N . 15562 1 191 . 1 1 17 17 LYS H H 1 7.97 0.02 . 1 . . . . 17 LYS H . 15562 1 192 . 1 1 17 17 LYS HA H 1 4.19 0.02 . 1 . . . . 17 LYS HA . 15562 1 193 . 1 1 17 17 LYS HB2 H 1 1.78 0.02 . 2 . . . . 17 LYS HB2 . 15562 1 194 . 1 1 17 17 LYS HD2 H 1 1.62 0.02 . 2 . . . . 17 LYS HD2 . 15562 1 195 . 1 1 17 17 LYS HE2 H 1 2.92 0.02 . 2 . . . . 17 LYS HE2 . 15562 1 196 . 1 1 17 17 LYS HG2 H 1 1.38 0.02 . 2 . . . . 17 LYS HG2 . 15562 1 197 . 1 1 17 17 LYS C C 13 176.7 0.2 . 1 . . . . 17 LYS C . 15562 1 198 . 1 1 17 17 LYS CA C 13 56.99 0.1 . 1 . . . . 17 LYS CA . 15562 1 199 . 1 1 17 17 LYS CB C 13 32.73 0.1 . 1 . . . . 17 LYS CB . 15562 1 200 . 1 1 17 17 LYS CD C 13 28.99 0.1 . 1 . . . . 17 LYS CD . 15562 1 201 . 1 1 17 17 LYS CE C 13 41.85 0.1 . 1 . . . . 17 LYS CE . 15562 1 202 . 1 1 17 17 LYS CG C 13 24.72 0.1 . 1 . . . . 17 LYS CG . 15562 1 203 . 1 1 17 17 LYS N N 15 120.14 0.1 . 1 . . . . 17 LYS N . 15562 1 204 . 1 1 18 18 ASN H H 1 8.2 0.02 . 1 . . . . 18 ASN H . 15562 1 205 . 1 1 18 18 ASN HA H 1 4.22 0.02 . 1 . . . . 18 ASN HA . 15562 1 206 . 1 1 18 18 ASN C C 13 175.23 0.2 . 1 . . . . 18 ASN C . 15562 1 207 . 1 1 18 18 ASN CA C 13 53.5 0.1 . 1 . . . . 18 ASN CA . 15562 1 208 . 1 1 18 18 ASN CB C 13 38.85 0.1 . 1 . . . . 18 ASN CB . 15562 1 209 . 1 1 18 18 ASN N N 15 118.67 0.1 . 1 . . . . 18 ASN N . 15562 1 210 . 1 1 19 19 ASN H H 1 8.2 0.02 . 1 . . . . 19 ASN H . 15562 1 211 . 1 1 19 19 ASN HA H 1 4.43 0.02 . 1 . . . . 19 ASN HA . 15562 1 212 . 1 1 19 19 ASN C C 13 174.5 0.2 . 1 . . . . 19 ASN C . 15562 1 213 . 1 1 19 19 ASN CA C 13 53.45 0.1 . 1 . . . . 19 ASN CA . 15562 1 214 . 1 1 19 19 ASN CB C 13 38.94 0.1 . 1 . . . . 19 ASN CB . 15562 1 215 . 1 1 19 19 ASN N N 15 115.9 0.1 . 1 . . . . 19 ASN N . 15562 1 216 . 1 1 20 20 SER H H 1 8.12 0.02 . 1 . . . . 20 SER H . 15562 1 217 . 1 1 20 20 SER HA H 1 4.4 0.02 . 1 . . . . 20 SER HA . 15562 1 218 . 1 1 20 20 SER HB2 H 1 3.86 0.02 . 2 . . . . 20 SER HB2 . 15562 1 219 . 1 1 20 20 SER CA C 13 59.03 0.1 . 1 . . . . 20 SER CA . 15562 1 220 . 1 1 20 20 SER CB C 13 63.81 0.1 . 1 . . . . 20 SER CB . 15562 1 221 . 1 1 20 20 SER N N 15 115.86 0.1 . 1 . . . . 20 SER N . 15562 1 222 . 1 1 21 21 GLY H H 1 8.41 0.02 . 1 . . . . 21 GLY H . 15562 1 223 . 1 1 21 21 GLY HA2 H 1 3.95 0.02 . 2 . . . . 21 GLY HA2 . 15562 1 224 . 1 1 21 21 GLY C C 13 174.65 0.2 . 1 . . . . 21 GLY C . 15562 1 225 . 1 1 21 21 GLY CA C 13 45.49 0.1 . 1 . . . . 21 GLY CA . 15562 1 226 . 1 1 21 21 GLY N N 15 110.58 0.1 . 1 . . . . 21 GLY N . 15562 1 227 . 1 1 22 22 GLY H H 1 8.22 0.02 . 1 . . . . 22 GLY H . 15562 1 228 . 1 1 22 22 GLY HA2 H 1 3.98 0.02 . 2 . . . . 22 GLY HA2 . 15562 1 229 . 1 1 22 22 GLY C C 13 174.55 0.2 . 1 . . . . 22 GLY C . 15562 1 230 . 1 1 22 22 GLY CA C 13 45.13 0.1 . 1 . . . . 22 GLY CA . 15562 1 231 . 1 1 22 22 GLY N N 15 108.66 0.1 . 1 . . . . 22 GLY N . 15562 1 232 . 1 1 23 23 THR H H 1 8.16 0.02 . 1 . . . . 23 THR H . 15562 1 233 . 1 1 23 23 THR HA H 1 4.33 0.02 . 1 . . . . 23 THR HA . 15562 1 234 . 1 1 23 23 THR HB H 1 4.22 0.02 . 1 . . . . 23 THR HB . 15562 1 235 . 1 1 23 23 THR HG21 H 1 1.13 0.02 . 1 . . . . 23 THR HG2 . 15562 1 236 . 1 1 23 23 THR HG22 H 1 1.13 0.02 . 1 . . . . 23 THR HG2 . 15562 1 237 . 1 1 23 23 THR HG23 H 1 1.13 0.02 . 1 . . . . 23 THR HG2 . 15562 1 238 . 1 1 23 23 THR C C 13 174.6 0.2 . 1 . . . . 23 THR C . 15562 1 239 . 1 1 23 23 THR CA C 13 61.96 0.1 . 1 . . . . 23 THR CA . 15562 1 240 . 1 1 23 23 THR CB C 13 69.85 0.1 . 1 . . . . 23 THR CB . 15562 1 241 . 1 1 23 23 THR CG2 C 13 21.4 0.1 . 1 . . . . 23 THR CG2 . 15562 1 242 . 1 1 23 23 THR N N 15 113.49 0.1 . 1 . . . . 23 THR N . 15562 1 243 . 1 1 24 24 ASN H H 1 8.52 0.02 . 1 . . . . 24 ASN H . 15562 1 244 . 1 1 24 24 ASN HA H 1 4.67 0.02 . 1 . . . . 24 ASN HA . 15562 1 245 . 1 1 24 24 ASN HB2 H 1 2.78 0.02 . 2 . . . . 24 ASN HB2 . 15562 1 246 . 1 1 24 24 ASN C C 13 175.69 0.2 . 1 . . . . 24 ASN C . 15562 1 247 . 1 1 24 24 ASN CA C 13 53.63 0.1 . 1 . . . . 24 ASN CA . 15562 1 248 . 1 1 24 24 ASN CB C 13 38.83 0.1 . 1 . . . . 24 ASN CB . 15562 1 249 . 1 1 24 24 ASN N N 15 120.66 0.1 . 1 . . . . 24 ASN N . 15562 1 250 . 1 1 25 25 GLY H H 1 8.3 0.02 . 1 . . . . 25 GLY H . 15562 1 251 . 1 1 25 25 GLY HA2 H 1 3.88 0.02 . 2 . . . . 25 GLY HA2 . 15562 1 252 . 1 1 25 25 GLY C C 13 173.9 0.2 . 1 . . . . 25 GLY C . 15562 1 253 . 1 1 25 25 GLY CA C 13 45.65 0.1 . 1 . . . . 25 GLY CA . 15562 1 254 . 1 1 25 25 GLY N N 15 109.19 0.1 . 1 . . . . 25 GLY N . 15562 1 255 . 1 1 26 26 ASP H H 1 8.16 0.02 . 1 . . . . 26 ASP H . 15562 1 256 . 1 1 26 26 ASP HA H 1 4.54 0.02 . 1 . . . . 26 ASP HA . 15562 1 257 . 1 1 26 26 ASP HB2 H 1 2.65 0.02 . 2 . . . . 26 ASP HB2 . 15562 1 258 . 1 1 26 26 ASP HB3 H 1 2.61 0.02 . 2 . . . . 26 ASP HB3 . 15562 1 259 . 1 1 26 26 ASP C C 13 176.65 0.2 . 1 . . . . 26 ASP C . 15562 1 260 . 1 1 26 26 ASP CA C 13 54.34 0.1 . 1 . . . . 26 ASP CA . 15562 1 261 . 1 1 26 26 ASP CB C 13 41.09 0.1 . 1 . . . . 26 ASP CB . 15562 1 262 . 1 1 26 26 ASP N N 15 120.27 0.1 . 1 . . . . 26 ASP N . 15562 1 263 . 1 1 27 27 ARG H H 1 8.29 0.02 . 1 . . . . 27 ARG H . 15562 1 264 . 1 1 27 27 ARG HA H 1 4.24 0.02 . 1 . . . . 27 ARG HA . 15562 1 265 . 1 1 27 27 ARG HB2 H 1 1.82 0.02 . 2 . . . . 27 ARG HB2 . 15562 1 266 . 1 1 27 27 ARG HB3 H 1 1.73 0.02 . 2 . . . . 27 ARG HB3 . 15562 1 267 . 1 1 27 27 ARG HD2 H 1 3.14 0.02 . 2 . . . . 27 ARG HD2 . 15562 1 268 . 1 1 27 27 ARG HG2 H 1 1.57 0.02 . 2 . . . . 27 ARG HG2 . 15562 1 269 . 1 1 27 27 ARG C C 13 176.34 0.2 . 1 . . . . 27 ARG C . 15562 1 270 . 1 1 27 27 ARG CA C 13 56.64 0.1 . 1 . . . . 27 ARG CA . 15562 1 271 . 1 1 27 27 ARG CB C 13 30.28 0.1 . 1 . . . . 27 ARG CB . 15562 1 272 . 1 1 27 27 ARG CD C 13 43.23 0.1 . 1 . . . . 27 ARG CD . 15562 1 273 . 1 1 27 27 ARG CG C 13 26.94 0.1 . 1 . . . . 27 ARG CG . 15562 1 274 . 1 1 27 27 ARG N N 15 121.34 0.1 . 1 . . . . 27 ARG N . 15562 1 275 . 1 1 28 28 ASN H H 1 8.44 0.02 . 1 . . . . 28 ASN H . 15562 1 276 . 1 1 28 28 ASN HA H 1 4.72 0.02 . 1 . . . . 28 ASN HA . 15562 1 277 . 1 1 28 28 ASN HB2 H 1 2.82 0.02 . 2 . . . . 28 ASN HB2 . 15562 1 278 . 1 1 28 28 ASN HB3 H 1 2.75 0.02 . 2 . . . . 28 ASN HB3 . 15562 1 279 . 1 1 28 28 ASN C C 13 175.45 0.2 . 1 . . . . 28 ASN C . 15562 1 280 . 1 1 28 28 ASN CA C 13 53.44 0.1 . 1 . . . . 28 ASN CA . 15562 1 281 . 1 1 28 28 ASN CB C 13 38.98 0.1 . 1 . . . . 28 ASN CB . 15562 1 282 . 1 1 28 28 ASN N N 15 119.1 0.1 . 1 . . . . 28 ASN N . 15562 1 283 . 1 1 29 29 SER H H 1 8.27 0.02 . 1 . . . . 29 SER H . 15562 1 284 . 1 1 29 29 SER HA H 1 4.36 0.02 . 1 . . . . 29 SER HA . 15562 1 285 . 1 1 29 29 SER HB2 H 1 3.82 0.02 . 2 . . . . 29 SER HB2 . 15562 1 286 . 1 1 29 29 SER C C 13 175.09 0.2 . 1 . . . . 29 SER C . 15562 1 287 . 1 1 29 29 SER CA C 13 59 0.1 . 1 . . . . 29 SER CA . 15562 1 288 . 1 1 29 29 SER CB C 13 63.81 0.1 . 1 . . . . 29 SER CB . 15562 1 289 . 1 1 29 29 SER N N 15 116.04 0.1 . 1 . . . . 29 SER N . 15562 1 290 . 1 1 30 30 GLY H H 1 8.41 0.02 . 1 . . . . 30 GLY H . 15562 1 291 . 1 1 30 30 GLY HA2 H 1 3.91 0.02 . 2 . . . . 30 GLY HA2 . 15562 1 292 . 1 1 30 30 GLY C C 13 174 0.2 . 1 . . . . 30 GLY C . 15562 1 293 . 1 1 30 30 GLY CA C 13 45.52 0.1 . 1 . . . . 30 GLY CA . 15562 1 294 . 1 1 30 30 GLY N N 15 110.73 0.1 . 1 . . . . 30 GLY N . 15562 1 295 . 1 1 31 31 ALA H H 1 8.05 0.02 . 1 . . . . 31 ALA H . 15562 1 296 . 1 1 31 31 ALA HA H 1 4.23 0.02 . 1 . . . . 31 ALA HA . 15562 1 297 . 1 1 31 31 ALA HB1 H 1 1.31 0.02 . 1 . . . . 31 ALA HB . 15562 1 298 . 1 1 31 31 ALA HB2 H 1 1.31 0.02 . 1 . . . . 31 ALA HB . 15562 1 299 . 1 1 31 31 ALA HB3 H 1 1.31 0.02 . 1 . . . . 31 ALA HB . 15562 1 300 . 1 1 31 31 ALA C C 13 177.6 0.2 . 1 . . . . 31 ALA C . 15562 1 301 . 1 1 31 31 ALA CA C 13 52.65 0.1 . 1 . . . . 31 ALA CA . 15562 1 302 . 1 1 31 31 ALA CB C 13 19.23 0.1 . 1 . . . . 31 ALA CB . 15562 1 303 . 1 1 31 31 ALA N N 15 123.41 0.1 . 1 . . . . 31 ALA N . 15562 1 304 . 1 1 32 32 ASN H H 1 8.4 0.02 . 1 . . . . 32 ASN H . 15562 1 305 . 1 1 32 32 ASN HA H 1 4.64 0.02 . 1 . . . . 32 ASN HA . 15562 1 306 . 1 1 32 32 ASN HB2 H 1 2.81 0.02 . 2 . . . . 32 ASN HB2 . 15562 1 307 . 1 1 32 32 ASN HB3 H 1 2.71 0.02 . 2 . . . . 32 ASN HB3 . 15562 1 308 . 1 1 32 32 ASN C C 13 175.12 0.2 . 1 . . . . 32 ASN C . 15562 1 309 . 1 1 32 32 ASN CA C 13 53.21 0.1 . 1 . . . . 32 ASN CA . 15562 1 310 . 1 1 32 32 ASN CB C 13 38.86 0.1 . 1 . . . . 32 ASN CB . 15562 1 311 . 1 1 32 32 ASN N N 15 117.47 0.1 . 1 . . . . 32 ASN N . 15562 1 312 . 1 1 33 33 ASN H H 1 8.34 0.02 . 1 . . . . 33 ASN H . 15562 1 313 . 1 1 33 33 ASN HA H 1 4.68 0.02 . 1 . . . . 33 ASN HA . 15562 1 314 . 1 1 33 33 ASN HB2 H 1 2.77 0.02 . 2 . . . . 33 ASN HB2 . 15562 1 315 . 1 1 33 33 ASN C C 13 175.8 0.2 . 1 . . . . 33 ASN C . 15562 1 316 . 1 1 33 33 ASN CA C 13 53.45 0.1 . 1 . . . . 33 ASN CA . 15562 1 317 . 1 1 33 33 ASN CB C 13 38.8 0.1 . 1 . . . . 33 ASN CB . 15562 1 318 . 1 1 33 33 ASN N N 15 119.15 0.1 . 1 . . . . 33 ASN N . 15562 1 319 . 1 1 34 34 GLY H H 1 8.38 0.02 . 1 . . . . 34 GLY H . 15562 1 320 . 1 1 34 34 GLY HA2 H 1 3.93 0.02 . 2 . . . . 34 GLY HA2 . 15562 1 321 . 1 1 34 34 GLY C C 13 174.77 0.2 . 1 . . . . 34 GLY C . 15562 1 322 . 1 1 34 34 GLY CA C 13 45.51 0.1 . 1 . . . . 34 GLY CA . 15562 1 323 . 1 1 34 34 GLY N N 15 109.15 0.1 . 1 . . . . 34 GLY N . 15562 1 324 . 1 1 35 35 GLY H H 1 8.26 0.02 . 1 . . . . 35 GLY H . 15562 1 325 . 1 1 35 35 GLY C C 13 174.26 0.2 . 1 . . . . 35 GLY C . 15562 1 326 . 1 1 35 35 GLY CA C 13 45.39 0.1 . 1 . . . . 35 GLY CA . 15562 1 327 . 1 1 35 35 GLY N N 15 109.26 0.1 . 1 . . . . 35 GLY N . 15562 1 328 . 1 1 36 36 GLY HA2 H 1 3.92 0.02 . 2 . . . . 36 GLY HA2 . 15562 1 329 . 1 1 36 36 GLY C C 13 174.41 0.2 . 1 . . . . 36 GLY C . 15562 1 330 . 1 1 36 36 GLY CA C 13 45.2 0.1 . 1 . . . . 36 GLY CA . 15562 1 331 . 1 1 37 37 GLU H H 1 8.46 0.02 . 1 . . . . 37 GLU H . 15562 1 332 . 1 1 37 37 GLU HA H 1 4.19 0.02 . 1 . . . . 37 GLU HA . 15562 1 333 . 1 1 37 37 GLU HB2 H 1 1.98 0.02 . 2 . . . . 37 GLU HB2 . 15562 1 334 . 1 1 37 37 GLU HB3 H 1 1.88 0.02 . 2 . . . . 37 GLU HB3 . 15562 1 335 . 1 1 37 37 GLU HG2 H 1 2.2 0.02 . 2 . . . . 37 GLU HG2 . 15562 1 336 . 1 1 37 37 GLU C C 13 176.53 0.2 . 1 . . . . 37 GLU C . 15562 1 337 . 1 1 37 37 GLU CA C 13 57.04 0.1 . 1 . . . . 37 GLU CA . 15562 1 338 . 1 1 37 37 GLU CB C 13 30 0.1 . 1 . . . . 37 GLU CB . 15562 1 339 . 1 1 37 37 GLU CG C 13 36.16 0.1 . 1 . . . . 37 GLU CG . 15562 1 340 . 1 1 37 37 GLU N N 15 120.77 0.1 . 1 . . . . 37 GLU N . 15562 1 341 . 1 1 38 38 ASN H H 1 8.48 0.02 . 1 . . . . 38 ASN H . 15562 1 342 . 1 1 38 38 ASN HA H 1 4.67 0.02 . 1 . . . . 38 ASN HA . 15562 1 343 . 1 1 38 38 ASN HB2 H 1 2.67 0.02 . 2 . . . . 38 ASN HB2 . 15562 1 344 . 1 1 38 38 ASN HB3 H 1 2.71 0.02 . 2 . . . . 38 ASN HB3 . 15562 1 345 . 1 1 38 38 ASN HD21 H 1 7.63 0.02 . 2 . . . . 38 ASN HD21 . 15562 1 346 . 1 1 38 38 ASN C C 13 175.05 0.2 . 1 . . . . 38 ASN C . 15562 1 347 . 1 1 38 38 ASN CA C 13 53.46 0.1 . 1 . . . . 38 ASN CA . 15562 1 348 . 1 1 38 38 ASN CB C 13 38.9 0.1 . 1 . . . . 38 ASN CB . 15562 1 349 . 1 1 38 38 ASN N N 15 119.34 0.1 . 1 . . . . 38 ASN N . 15562 1 350 . 1 1 39 39 SER H H 1 8.11 0.02 . 1 . . . . 39 SER H . 15562 1 351 . 1 1 39 39 SER HA H 1 4.36 0.02 . 1 . . . . 39 SER HA . 15562 1 352 . 1 1 39 39 SER HB2 H 1 3.77 0.02 . 2 . . . . 39 SER HB2 . 15562 1 353 . 1 1 39 39 SER C C 13 173.74 0.2 . 1 . . . . 39 SER C . 15562 1 354 . 1 1 39 39 SER CA C 13 58.21 0.1 . 1 . . . . 39 SER CA . 15562 1 355 . 1 1 39 39 SER CB C 13 63.97 0.1 . 1 . . . . 39 SER CB . 15562 1 356 . 1 1 39 39 SER N N 15 115.81 0.1 . 1 . . . . 39 SER N . 15562 1 357 . 1 1 40 40 ALA H H 1 8.18 0.02 . 1 . . . . 40 ALA H . 15562 1 358 . 1 1 40 40 ALA HA H 1 4.55 0.02 . 1 . . . . 40 ALA HA . 15562 1 359 . 1 1 40 40 ALA HB1 H 1 1.29 0.02 . 1 . . . . 40 ALA HB . 15562 1 360 . 1 1 40 40 ALA HB2 H 1 1.29 0.02 . 1 . . . . 40 ALA HB . 15562 1 361 . 1 1 40 40 ALA HB3 H 1 1.29 0.02 . 1 . . . . 40 ALA HB . 15562 1 362 . 1 1 40 40 ALA C C 13 175.26 0.2 . 1 . . . . 40 ALA C . 15562 1 363 . 1 1 40 40 ALA CA C 13 50.63 0.1 . 1 . . . . 40 ALA CA . 15562 1 364 . 1 1 40 40 ALA CB C 13 18.45 0.1 . 1 . . . . 40 ALA CB . 15562 1 365 . 1 1 40 40 ALA N N 15 126.39 0.1 . 1 . . . . 40 ALA N . 15562 1 366 . 1 1 41 41 PRO HA H 1 4.41 0.02 . 1 . . . . 41 PRO HA . 15562 1 367 . 1 1 41 41 PRO HB2 H 1 2.22 0.02 . 2 . . . . 41 PRO HB2 . 15562 1 368 . 1 1 41 41 PRO HB3 H 1 1.8 0.02 . 2 . . . . 41 PRO HB3 . 15562 1 369 . 1 1 41 41 PRO HD2 H 1 3.75 0.02 . 2 . . . . 41 PRO HD2 . 15562 1 370 . 1 1 41 41 PRO HD3 H 1 3.53 0.02 . 2 . . . . 41 PRO HD3 . 15562 1 371 . 1 1 41 41 PRO HG2 H 1 1.95 0.02 . 2 . . . . 41 PRO HG2 . 15562 1 372 . 1 1 41 41 PRO C C 13 177.12 0.2 . 1 . . . . 41 PRO C . 15562 1 373 . 1 1 41 41 PRO CA C 13 62.88 0.1 . 1 . . . . 41 PRO CA . 15562 1 374 . 1 1 41 41 PRO CB C 13 31.96 0.1 . 1 . . . . 41 PRO CB . 15562 1 375 . 1 1 41 41 PRO CD C 13 50.53 0.1 . 1 . . . . 41 PRO CD . 15562 1 376 . 1 1 41 41 PRO CG C 13 27.48 0.1 . 1 . . . . 41 PRO CG . 15562 1 377 . 1 1 42 42 VAL H H 1 8.24 0.02 . 1 . . . . 42 VAL H . 15562 1 378 . 1 1 42 42 VAL HA H 1 3.84 0.02 . 1 . . . . 42 VAL HA . 15562 1 379 . 1 1 42 42 VAL HB H 1 1.79 0.02 . 1 . . . . 42 VAL HB . 15562 1 380 . 1 1 42 42 VAL HG11 H 1 0.91 0.02 . 1 . . . . 42 VAL HG1 . 15562 1 381 . 1 1 42 42 VAL HG12 H 1 0.91 0.02 . 1 . . . . 42 VAL HG1 . 15562 1 382 . 1 1 42 42 VAL HG13 H 1 0.91 0.02 . 1 . . . . 42 VAL HG1 . 15562 1 383 . 1 1 42 42 VAL HG21 H 1 0.76 0.02 . 1 . . . . 42 VAL HG2 . 15562 1 384 . 1 1 42 42 VAL HG22 H 1 0.76 0.02 . 1 . . . . 42 VAL HG2 . 15562 1 385 . 1 1 42 42 VAL HG23 H 1 0.76 0.02 . 1 . . . . 42 VAL HG2 . 15562 1 386 . 1 1 42 42 VAL C C 13 176.13 0.2 . 1 . . . . 42 VAL C . 15562 1 387 . 1 1 42 42 VAL CA C 13 63.31 0.1 . 1 . . . . 42 VAL CA . 15562 1 388 . 1 1 42 42 VAL CB C 13 31.88 0.1 . 1 . . . . 42 VAL CB . 15562 1 389 . 1 1 42 42 VAL CG1 C 13 21.47 0.1 . 1 . . . . 42 VAL CG1 . 15562 1 390 . 1 1 42 42 VAL CG2 C 13 21.47 0.1 . 1 . . . . 42 VAL CG2 . 15562 1 391 . 1 1 42 42 VAL N N 15 122.17 0.1 . 1 . . . . 42 VAL N . 15562 1 392 . 1 1 43 43 GLY H H 1 9.17 0.02 . 1 . . . . 43 GLY H . 15562 1 393 . 1 1 43 43 GLY HA2 H 1 4.02 0.02 . 2 . . . . 43 GLY HA2 . 15562 1 394 . 1 1 43 43 GLY HA3 H 1 3.3 0.02 . 2 . . . . 43 GLY HA3 . 15562 1 395 . 1 1 43 43 GLY C C 13 174.1 0.2 . 1 . . . . 43 GLY C . 15562 1 396 . 1 1 43 43 GLY CA C 13 44.94 0.1 . 1 . . . . 43 GLY CA . 15562 1 397 . 1 1 43 43 GLY N N 15 114.41 0.1 . 1 . . . . 43 GLY N . 15562 1 398 . 1 1 44 44 ALA H H 1 7.78 0.02 . 1 . . . . 44 ALA H . 15562 1 399 . 1 1 44 44 ALA HA H 1 3.97 0.02 . 1 . . . . 44 ALA HA . 15562 1 400 . 1 1 44 44 ALA HB1 H 1 1.39 0.02 . 1 . . . . 44 ALA HB . 15562 1 401 . 1 1 44 44 ALA HB2 H 1 1.39 0.02 . 1 . . . . 44 ALA HB . 15562 1 402 . 1 1 44 44 ALA HB3 H 1 1.39 0.02 . 1 . . . . 44 ALA HB . 15562 1 403 . 1 1 44 44 ALA C C 13 180.07 0.2 . 1 . . . . 44 ALA C . 15562 1 404 . 1 1 44 44 ALA CA C 13 55.38 0.1 . 1 . . . . 44 ALA CA . 15562 1 405 . 1 1 44 44 ALA CB C 13 18.99 0.1 . 1 . . . . 44 ALA CB . 15562 1 406 . 1 1 44 44 ALA N N 15 122.98 0.1 . 1 . . . . 44 ALA N . 15562 1 407 . 1 1 45 45 ALA H H 1 8.66 0.02 . 1 . . . . 45 ALA H . 15562 1 408 . 1 1 45 45 ALA HA H 1 4.2 0.02 . 1 . . . . 45 ALA HA . 15562 1 409 . 1 1 45 45 ALA HB1 H 1 1.39 0.02 . 1 . . . . 45 ALA HB . 15562 1 410 . 1 1 45 45 ALA HB2 H 1 1.39 0.02 . 1 . . . . 45 ALA HB . 15562 1 411 . 1 1 45 45 ALA HB3 H 1 1.39 0.02 . 1 . . . . 45 ALA HB . 15562 1 412 . 1 1 45 45 ALA C C 13 179.05 0.2 . 1 . . . . 45 ALA C . 15562 1 413 . 1 1 45 45 ALA CA C 13 54.06 0.1 . 1 . . . . 45 ALA CA . 15562 1 414 . 1 1 45 45 ALA CB C 13 18.99 0.1 . 1 . . . . 45 ALA CB . 15562 1 415 . 1 1 45 45 ALA N N 15 117.34 0.1 . 1 . . . . 45 ALA N . 15562 1 416 . 1 1 46 46 ILE H H 1 7.3 0.02 . 1 . . . . 46 ILE H . 15562 1 417 . 1 1 46 46 ILE HA H 1 4.63 0.02 . 1 . . . . 46 ILE HA . 15562 1 418 . 1 1 46 46 ILE HB H 1 2.14 0.02 . 1 . . . . 46 ILE HB . 15562 1 419 . 1 1 46 46 ILE HD11 H 1 0.79 0.02 . 1 . . . . 46 ILE HD1 . 15562 1 420 . 1 1 46 46 ILE HD12 H 1 0.79 0.02 . 1 . . . . 46 ILE HD1 . 15562 1 421 . 1 1 46 46 ILE HD13 H 1 0.79 0.02 . 1 . . . . 46 ILE HD1 . 15562 1 422 . 1 1 46 46 ILE HG12 H 1 1.34 0.02 . 2 . . . . 46 ILE HG12 . 15562 1 423 . 1 1 46 46 ILE HG13 H 1 1.01 0.02 . 2 . . . . 46 ILE HG13 . 15562 1 424 . 1 1 46 46 ILE HG21 H 1 0.75 0.02 . 1 . . . . 46 ILE HG2 . 15562 1 425 . 1 1 46 46 ILE HG22 H 1 0.75 0.02 . 1 . . . . 46 ILE HG2 . 15562 1 426 . 1 1 46 46 ILE HG23 H 1 0.75 0.02 . 1 . . . . 46 ILE HG2 . 15562 1 427 . 1 1 46 46 ILE C C 13 176.5 0.2 . 1 . . . . 46 ILE C . 15562 1 428 . 1 1 46 46 ILE CA C 13 60.57 0.1 . 1 . . . . 46 ILE CA . 15562 1 429 . 1 1 46 46 ILE CB C 13 38.74 0.1 . 1 . . . . 46 ILE CB . 15562 1 430 . 1 1 46 46 ILE CD1 C 13 15.89 0.1 . 1 . . . . 46 ILE CD1 . 15562 1 431 . 1 1 46 46 ILE CG1 C 13 26.65 0.1 . 1 . . . . 46 ILE CG1 . 15562 1 432 . 1 1 46 46 ILE CG2 C 13 18.99 0.1 . 1 . . . . 46 ILE CG2 . 15562 1 433 . 1 1 46 46 ILE N N 15 108.32 0.1 . 1 . . . . 46 ILE N . 15562 1 434 . 1 1 47 47 ALA H H 1 7.48 0.02 . 1 . . . . 47 ALA H . 15562 1 435 . 1 1 47 47 ALA HA H 1 3.8 0.02 . 1 . . . . 47 ALA HA . 15562 1 436 . 1 1 47 47 ALA HB1 H 1 1.42 0.02 . 1 . . . . 47 ALA HB . 15562 1 437 . 1 1 47 47 ALA HB2 H 1 1.42 0.02 . 1 . . . . 47 ALA HB . 15562 1 438 . 1 1 47 47 ALA HB3 H 1 1.42 0.02 . 1 . . . . 47 ALA HB . 15562 1 439 . 1 1 47 47 ALA C C 13 179 0.2 . 1 . . . . 47 ALA C . 15562 1 440 . 1 1 47 47 ALA CA C 13 56.11 0.1 . 1 . . . . 47 ALA CA . 15562 1 441 . 1 1 47 47 ALA CB C 13 19.2 0.1 . 1 . . . . 47 ALA CB . 15562 1 442 . 1 1 47 47 ALA N N 15 123.82 0.1 . 1 . . . . 47 ALA N . 15562 1 443 . 1 1 48 48 ASN H H 1 8.4 0.02 . 1 . . . . 48 ASN H . 15562 1 444 . 1 1 48 48 ASN HA H 1 4.42 0.02 . 1 . . . . 48 ASN HA . 15562 1 445 . 1 1 48 48 ASN HB2 H 1 2.39 0.02 . 2 . . . . 48 ASN HB2 . 15562 1 446 . 1 1 48 48 ASN HD21 H 1 7.13 0.02 . 2 . . . . 48 ASN HD21 . 15562 1 447 . 1 1 48 48 ASN HD22 H 1 6.68 0.02 . 2 . . . . 48 ASN HD22 . 15562 1 448 . 1 1 48 48 ASN C C 13 175.37 0.2 . 1 . . . . 48 ASN C . 15562 1 449 . 1 1 48 48 ASN CA C 13 54.91 0.1 . 1 . . . . 48 ASN CA . 15562 1 450 . 1 1 48 48 ASN CB C 13 37.43 0.1 . 1 . . . . 48 ASN CB . 15562 1 451 . 1 1 48 48 ASN N N 15 112.04 0.1 . 1 . . . . 48 ASN N . 15562 1 452 . 1 1 48 48 ASN ND2 N 15 112.81 0.1 . 1 . . . . 48 ASN ND2 . 15562 1 453 . 1 1 49 49 PHE H H 1 8.12 0.02 . 1 . . . . 49 PHE H . 15562 1 454 . 1 1 49 49 PHE HA H 1 4.4 0.02 . 1 . . . . 49 PHE HA . 15562 1 455 . 1 1 49 49 PHE HB2 H 1 3.38 0.02 . 2 . . . . 49 PHE HB2 . 15562 1 456 . 1 1 49 49 PHE HB3 H 1 2.79 0.02 . 2 . . . . 49 PHE HB3 . 15562 1 457 . 1 1 49 49 PHE HD1 H 1 7.14 0.02 . 1 . . . . 49 PHE HD1 . 15562 1 458 . 1 1 49 49 PHE HD2 H 1 7.14 0.02 . 1 . . . . 49 PHE HD2 . 15562 1 459 . 1 1 49 49 PHE C C 13 173.39 0.2 . 1 . . . . 49 PHE C . 15562 1 460 . 1 1 49 49 PHE CA C 13 58.28 0.1 . 1 . . . . 49 PHE CA . 15562 1 461 . 1 1 49 49 PHE CB C 13 39.64 0.1 . 1 . . . . 49 PHE CB . 15562 1 462 . 1 1 50 50 LEU H H 1 7.38 0.02 . 1 . . . . 50 LEU H . 15562 1 463 . 1 1 50 50 LEU HA H 1 4.77 0.02 . 1 . . . . 50 LEU HA . 15562 1 464 . 1 1 50 50 LEU HB2 H 1 1.7 0.02 . 2 . . . . 50 LEU HB2 . 15562 1 465 . 1 1 50 50 LEU HB3 H 1 1.56 0.02 . 2 . . . . 50 LEU HB3 . 15562 1 466 . 1 1 50 50 LEU HD11 H 1 0.78 0.02 . 1 . . . . 50 LEU HD1 . 15562 1 467 . 1 1 50 50 LEU HD12 H 1 0.78 0.02 . 1 . . . . 50 LEU HD1 . 15562 1 468 . 1 1 50 50 LEU HD13 H 1 0.78 0.02 . 1 . . . . 50 LEU HD1 . 15562 1 469 . 1 1 50 50 LEU HD21 H 1 0.66 0.02 . 1 . . . . 50 LEU HD2 . 15562 1 470 . 1 1 50 50 LEU HD22 H 1 0.66 0.02 . 1 . . . . 50 LEU HD2 . 15562 1 471 . 1 1 50 50 LEU HD23 H 1 0.66 0.02 . 1 . . . . 50 LEU HD2 . 15562 1 472 . 1 1 50 50 LEU HG H 1 1.73 0.02 . 1 . . . . 50 LEU HG . 15562 1 473 . 1 1 50 50 LEU C C 13 176.87 0.2 . 1 . . . . 50 LEU C . 15562 1 474 . 1 1 50 50 LEU CA C 13 54.26 0.1 . 1 . . . . 50 LEU CA . 15562 1 475 . 1 1 50 50 LEU CB C 13 44.46 0.1 . 1 . . . . 50 LEU CB . 15562 1 476 . 1 1 50 50 LEU CD1 C 13 24.75 0.1 . 1 . . . . 50 LEU CD1 . 15562 1 477 . 1 1 50 50 LEU CD2 C 13 24.75 0.1 . 1 . . . . 50 LEU CD2 . 15562 1 478 . 1 1 50 50 LEU CG C 13 28.53 0.1 . 1 . . . . 50 LEU CG . 15562 1 479 . 1 1 50 50 LEU N N 15 120.67 0.1 . 1 . . . . 50 LEU N . 15562 1 480 . 1 1 51 51 GLU H H 1 8.86 0.02 . 1 . . . . 51 GLU H . 15562 1 481 . 1 1 51 51 GLU HA H 1 4.51 0.02 . 1 . . . . 51 GLU HA . 15562 1 482 . 1 1 51 51 GLU HB2 H 1 2.35 0.02 . 2 . . . . 51 GLU HB2 . 15562 1 483 . 1 1 51 51 GLU HB3 H 1 1.92 0.02 . 2 . . . . 51 GLU HB3 . 15562 1 484 . 1 1 51 51 GLU HG2 H 1 2.3 0.02 . 2 . . . . 51 GLU HG2 . 15562 1 485 . 1 1 51 51 GLU HG3 H 1 2.17 0.02 . 2 . . . . 51 GLU HG3 . 15562 1 486 . 1 1 51 51 GLU C C 13 176.37 0.2 . 1 . . . . 51 GLU C . 15562 1 487 . 1 1 51 51 GLU CA C 13 56.04 0.1 . 1 . . . . 51 GLU CA . 15562 1 488 . 1 1 51 51 GLU CB C 13 28.21 0.1 . 1 . . . . 51 GLU CB . 15562 1 489 . 1 1 51 51 GLU CG C 13 37.2 0.1 . 1 . . . . 51 GLU CG . 15562 1 490 . 1 1 51 51 GLU N N 15 121.89 0.1 . 1 . . . . 51 GLU N . 15562 1 491 . 1 1 52 52 PRO HA H 1 4.2 0.02 . 1 . . . . 52 PRO HA . 15562 1 492 . 1 1 52 52 PRO HB2 H 1 2.39 0.02 . 2 . . . . 52 PRO HB2 . 15562 1 493 . 1 1 52 52 PRO HB3 H 1 1.97 0.02 . 2 . . . . 52 PRO HB3 . 15562 1 494 . 1 1 52 52 PRO HD2 H 1 3.92 0.02 . 2 . . . . 52 PRO HD2 . 15562 1 495 . 1 1 52 52 PRO HG2 H 1 2.22 0.02 . 2 . . . . 52 PRO HG2 . 15562 1 496 . 1 1 52 52 PRO HG3 H 1 2.07 0.02 . 2 . . . . 52 PRO HG3 . 15562 1 497 . 1 1 52 52 PRO C C 13 179.63 0.2 . 1 . . . . 52 PRO C . 15562 1 498 . 1 1 52 52 PRO CA C 13 66.57 0.1 . 1 . . . . 52 PRO CA . 15562 1 499 . 1 1 52 52 PRO CB C 13 31.64 0.1 . 1 . . . . 52 PRO CB . 15562 1 500 . 1 1 52 52 PRO CD C 13 50.29 0.1 . 1 . . . . 52 PRO CD . 15562 1 501 . 1 1 52 52 PRO CG C 13 27.91 0.1 . 1 . . . . 52 PRO CG . 15562 1 502 . 1 1 53 53 GLN H H 1 9.36 0.02 . 1 . . . . 53 GLN H . 15562 1 503 . 1 1 53 53 GLN HA H 1 4.07 0.02 . 1 . . . . 53 GLN HA . 15562 1 504 . 1 1 53 53 GLN HB2 H 1 2.18 0.02 . 2 . . . . 53 GLN HB2 . 15562 1 505 . 1 1 53 53 GLN HE21 H 1 7.64 0.02 . 2 . . . . 53 GLN HE21 . 15562 1 506 . 1 1 53 53 GLN HE22 H 1 6.86 0.02 . 2 . . . . 53 GLN HE22 . 15562 1 507 . 1 1 53 53 GLN HG2 H 1 2.61 0.02 . 2 . . . . 53 GLN HG2 . 15562 1 508 . 1 1 53 53 GLN HG3 H 1 2.46 0.02 . 2 . . . . 53 GLN HG3 . 15562 1 509 . 1 1 53 53 GLN C C 13 179.06 0.2 . 1 . . . . 53 GLN C . 15562 1 510 . 1 1 53 53 GLN CA C 13 59.37 0.1 . 1 . . . . 53 GLN CA . 15562 1 511 . 1 1 53 53 GLN CB C 13 28.18 0.1 . 1 . . . . 53 GLN CB . 15562 1 512 . 1 1 53 53 GLN CG C 13 34.5 0.1 . 1 . . . . 53 GLN CG . 15562 1 513 . 1 1 53 53 GLN N N 15 115.87 0.1 . 1 . . . . 53 GLN N . 15562 1 514 . 1 1 53 53 GLN NE2 N 15 112.08 0.1 . 1 . . . . 53 GLN NE2 . 15562 1 515 . 1 1 54 54 ALA H H 1 7.4 0.02 . 1 . . . . 54 ALA H . 15562 1 516 . 1 1 54 54 ALA HA H 1 3.88 0.02 . 1 . . . . 54 ALA HA . 15562 1 517 . 1 1 54 54 ALA HB1 H 1 1.44 0.02 . 1 . . . . 54 ALA HB . 15562 1 518 . 1 1 54 54 ALA HB2 H 1 1.44 0.02 . 1 . . . . 54 ALA HB . 15562 1 519 . 1 1 54 54 ALA HB3 H 1 1.44 0.02 . 1 . . . . 54 ALA HB . 15562 1 520 . 1 1 54 54 ALA C C 13 178.28 0.2 . 1 . . . . 54 ALA C . 15562 1 521 . 1 1 54 54 ALA CA C 13 55.35 0.1 . 1 . . . . 54 ALA CA . 15562 1 522 . 1 1 54 54 ALA CB C 13 18.99 0.1 . 1 . . . . 54 ALA CB . 15562 1 523 . 1 1 54 54 ALA N N 15 121.83 0.1 . 1 . . . . 54 ALA N . 15562 1 524 . 1 1 55 55 LEU H H 1 7.66 0.02 . 1 . . . . 55 LEU H . 15562 1 525 . 1 1 55 55 LEU HA H 1 3.91 0.02 . 1 . . . . 55 LEU HA . 15562 1 526 . 1 1 55 55 LEU HB2 H 1 1.91 0.02 . 2 . . . . 55 LEU HB2 . 15562 1 527 . 1 1 55 55 LEU HB3 H 1 1.46 0.02 . 2 . . . . 55 LEU HB3 . 15562 1 528 . 1 1 55 55 LEU HD11 H 1 0.87 0.02 . 1 . . . . 55 LEU HD1 . 15562 1 529 . 1 1 55 55 LEU HD12 H 1 0.87 0.02 . 1 . . . . 55 LEU HD1 . 15562 1 530 . 1 1 55 55 LEU HD13 H 1 0.87 0.02 . 1 . . . . 55 LEU HD1 . 15562 1 531 . 1 1 55 55 LEU HD21 H 1 0.86 0.02 . 1 . . . . 55 LEU HD2 . 15562 1 532 . 1 1 55 55 LEU HD22 H 1 0.86 0.02 . 1 . . . . 55 LEU HD2 . 15562 1 533 . 1 1 55 55 LEU HD23 H 1 0.86 0.02 . 1 . . . . 55 LEU HD2 . 15562 1 534 . 1 1 55 55 LEU HG H 1 1.56 0.02 . 1 . . . . 55 LEU HG . 15562 1 535 . 1 1 55 55 LEU C C 13 179.09 0.2 . 1 . . . . 55 LEU C . 15562 1 536 . 1 1 55 55 LEU CA C 13 58.05 0.1 . 1 . . . . 55 LEU CA . 15562 1 537 . 1 1 55 55 LEU CB C 13 41.27 0.1 . 1 . . . . 55 LEU CB . 15562 1 538 . 1 1 55 55 LEU CD1 C 13 25.42 0.1 . 1 . . . . 55 LEU CD1 . 15562 1 539 . 1 1 55 55 LEU CD2 C 13 23.52 0.1 . 1 . . . . 55 LEU CD2 . 15562 1 540 . 1 1 55 55 LEU CG C 13 27.16 0.1 . 1 . . . . 55 LEU CG . 15562 1 541 . 1 1 55 55 LEU N N 15 119.14 0.1 . 1 . . . . 55 LEU N . 15562 1 542 . 1 1 56 56 GLU H H 1 8.2 0.02 . 1 . . . . 56 GLU H . 15562 1 543 . 1 1 56 56 GLU HA H 1 3.99 0.02 . 1 . . . . 56 GLU HA . 15562 1 544 . 1 1 56 56 GLU HB2 H 1 1.99 0.02 . 2 . . . . 56 GLU HB2 . 15562 1 545 . 1 1 56 56 GLU HG2 H 1 2.25 0.02 . 2 . . . . 56 GLU HG2 . 15562 1 546 . 1 1 56 56 GLU HG3 H 1 2.21 0.02 . 2 . . . . 56 GLU HG3 . 15562 1 547 . 1 1 56 56 GLU C C 13 178.73 0.2 . 1 . . . . 56 GLU C . 15562 1 548 . 1 1 56 56 GLU CA C 13 59.45 0.1 . 1 . . . . 56 GLU CA . 15562 1 549 . 1 1 56 56 GLU CB C 13 29.09 0.1 . 1 . . . . 56 GLU CB . 15562 1 550 . 1 1 56 56 GLU CG C 13 35.87 0.1 . 1 . . . . 56 GLU CG . 15562 1 551 . 1 1 56 56 GLU N N 15 119.89 0.1 . 1 . . . . 56 GLU N . 15562 1 552 . 1 1 57 57 ARG H H 1 7.69 0.02 . 1 . . . . 57 ARG H . 15562 1 553 . 1 1 57 57 ARG HA H 1 3.98 0.02 . 1 . . . . 57 ARG HA . 15562 1 554 . 1 1 57 57 ARG HB2 H 1 2.23 0.02 . 2 . . . . 57 ARG HB2 . 15562 1 555 . 1 1 57 57 ARG HB3 H 1 1.98 0.02 . 2 . . . . 57 ARG HB3 . 15562 1 556 . 1 1 57 57 ARG HD2 H 1 3.24 0.02 . 2 . . . . 57 ARG HD2 . 15562 1 557 . 1 1 57 57 ARG HD3 H 1 3.1 0.02 . 2 . . . . 57 ARG HD3 . 15562 1 558 . 1 1 57 57 ARG HG2 H 1 1.56 0.02 . 2 . . . . 57 ARG HG2 . 15562 1 559 . 1 1 57 57 ARG HG3 H 1 1.43 0.02 . 2 . . . . 57 ARG HG3 . 15562 1 560 . 1 1 57 57 ARG C C 13 177.91 0.2 . 1 . . . . 57 ARG C . 15562 1 561 . 1 1 57 57 ARG CA C 13 57.78 0.1 . 1 . . . . 57 ARG CA . 15562 1 562 . 1 1 57 57 ARG CB C 13 28.89 0.1 . 1 . . . . 57 ARG CB . 15562 1 563 . 1 1 57 57 ARG CD C 13 41.46 0.1 . 1 . . . . 57 ARG CD . 15562 1 564 . 1 1 57 57 ARG CG C 13 26.53 0.1 . 1 . . . . 57 ARG CG . 15562 1 565 . 1 1 57 57 ARG N N 15 119.12 0.1 . 1 . . . . 57 ARG N . 15562 1 566 . 1 1 58 58 LEU H H 1 8.09 0.02 . 1 . . . . 58 LEU H . 15562 1 567 . 1 1 58 58 LEU HA H 1 3.89 0.02 . 1 . . . . 58 LEU HA . 15562 1 568 . 1 1 58 58 LEU HB2 H 1 1.88 0.02 . 2 . . . . 58 LEU HB2 . 15562 1 569 . 1 1 58 58 LEU HB3 H 1 1.47 0.02 . 2 . . . . 58 LEU HB3 . 15562 1 570 . 1 1 58 58 LEU HD11 H 1 0.74 0.02 . 1 . . . . 58 LEU HD1 . 15562 1 571 . 1 1 58 58 LEU HD12 H 1 0.74 0.02 . 1 . . . . 58 LEU HD1 . 15562 1 572 . 1 1 58 58 LEU HD13 H 1 0.74 0.02 . 1 . . . . 58 LEU HD1 . 15562 1 573 . 1 1 58 58 LEU HD21 H 1 0.9 0.02 . 1 . . . . 58 LEU HD2 . 15562 1 574 . 1 1 58 58 LEU HD22 H 1 0.9 0.02 . 1 . . . . 58 LEU HD2 . 15562 1 575 . 1 1 58 58 LEU HD23 H 1 0.9 0.02 . 1 . . . . 58 LEU HD2 . 15562 1 576 . 1 1 58 58 LEU HG H 1 1.6 0.02 . 1 . . . . 58 LEU HG . 15562 1 577 . 1 1 58 58 LEU C C 13 177.95 0.2 . 1 . . . . 58 LEU C . 15562 1 578 . 1 1 58 58 LEU CA C 13 57.98 0.1 . 1 . . . . 58 LEU CA . 15562 1 579 . 1 1 58 58 LEU CB C 13 42.07 0.1 . 1 . . . . 58 LEU CB . 15562 1 580 . 1 1 58 58 LEU CD1 C 13 25.17 0.1 . 1 . . . . 58 LEU CD1 . 15562 1 581 . 1 1 58 58 LEU CD2 C 13 23.72 0.1 . 1 . . . . 58 LEU CD2 . 15562 1 582 . 1 1 58 58 LEU CG C 13 26.84 0.1 . 1 . . . . 58 LEU CG . 15562 1 583 . 1 1 58 58 LEU N N 15 118.95 0.1 . 1 . . . . 58 LEU N . 15562 1 584 . 1 1 59 59 SER H H 1 8.37 0.02 . 1 . . . . 59 SER H . 15562 1 585 . 1 1 59 59 SER HA H 1 4.05 0.02 . 1 . . . . 59 SER HA . 15562 1 586 . 1 1 59 59 SER HB2 H 1 3.9 0.02 . 2 . . . . 59 SER HB2 . 15562 1 587 . 1 1 59 59 SER C C 13 176.49 0.2 . 1 . . . . 59 SER C . 15562 1 588 . 1 1 59 59 SER CA C 13 61.79 0.1 . 1 . . . . 59 SER CA . 15562 1 589 . 1 1 59 59 SER CB C 13 62.81 0.1 . 1 . . . . 59 SER CB . 15562 1 590 . 1 1 59 59 SER N N 15 114.47 0.1 . 1 . . . . 59 SER N . 15562 1 591 . 1 1 60 60 ARG H H 1 7.93 0.02 . 1 . . . . 60 ARG H . 15562 1 592 . 1 1 60 60 ARG HA H 1 4.05 0.02 . 1 . . . . 60 ARG HA . 15562 1 593 . 1 1 60 60 ARG HB2 H 1 2 0.02 . 2 . . . . 60 ARG HB2 . 15562 1 594 . 1 1 60 60 ARG HB3 H 1 1.87 0.02 . 2 . . . . 60 ARG HB3 . 15562 1 595 . 1 1 60 60 ARG HD2 H 1 3.16 0.02 . 2 . . . . 60 ARG HD2 . 15562 1 596 . 1 1 60 60 ARG HD3 H 1 3.07 0.02 . 2 . . . . 60 ARG HD3 . 15562 1 597 . 1 1 60 60 ARG HG2 H 1 1.84 0.02 . 2 . . . . 60 ARG HG2 . 15562 1 598 . 1 1 60 60 ARG HG3 H 1 1.63 0.02 . 2 . . . . 60 ARG HG3 . 15562 1 599 . 1 1 60 60 ARG C C 13 180.28 0.2 . 1 . . . . 60 ARG C . 15562 1 600 . 1 1 60 60 ARG CA C 13 59.39 0.1 . 1 . . . . 60 ARG CA . 15562 1 601 . 1 1 60 60 ARG CB C 13 29.91 0.1 . 1 . . . . 60 ARG CB . 15562 1 602 . 1 1 60 60 ARG CD C 13 43.61 0.1 . 1 . . . . 60 ARG CD . 15562 1 603 . 1 1 60 60 ARG CG C 13 27.56 0.1 . 1 . . . . 60 ARG CG . 15562 1 604 . 1 1 60 60 ARG N N 15 121.33 0.1 . 1 . . . . 60 ARG N . 15562 1 605 . 1 1 61 61 VAL H H 1 8.1 0.02 . 1 . . . . 61 VAL H . 15562 1 606 . 1 1 61 61 VAL HA H 1 3.67 0.02 . 1 . . . . 61 VAL HA . 15562 1 607 . 1 1 61 61 VAL HB H 1 2.18 0.02 . 1 . . . . 61 VAL HB . 15562 1 608 . 1 1 61 61 VAL HG11 H 1 1.06 0.02 . 1 . . . . 61 VAL HG1 . 15562 1 609 . 1 1 61 61 VAL HG12 H 1 1.06 0.02 . 1 . . . . 61 VAL HG1 . 15562 1 610 . 1 1 61 61 VAL HG13 H 1 1.06 0.02 . 1 . . . . 61 VAL HG1 . 15562 1 611 . 1 1 61 61 VAL HG21 H 1 0.91 0.02 . 1 . . . . 61 VAL HG2 . 15562 1 612 . 1 1 61 61 VAL HG22 H 1 0.91 0.02 . 1 . . . . 61 VAL HG2 . 15562 1 613 . 1 1 61 61 VAL HG23 H 1 0.91 0.02 . 1 . . . . 61 VAL HG2 . 15562 1 614 . 1 1 61 61 VAL C C 13 177.86 0.2 . 1 . . . . 61 VAL C . 15562 1 615 . 1 1 61 61 VAL CA C 13 66.01 0.1 . 1 . . . . 61 VAL CA . 15562 1 616 . 1 1 61 61 VAL CB C 13 31.72 0.1 . 1 . . . . 61 VAL CB . 15562 1 617 . 1 1 61 61 VAL CG1 C 13 22.8 0.1 . 1 . . . . 61 VAL CG1 . 15562 1 618 . 1 1 61 61 VAL CG2 C 13 21.16 0.1 . 1 . . . . 61 VAL CG2 . 15562 1 619 . 1 1 61 61 VAL N N 15 120.94 0.1 . 1 . . . . 61 VAL N . 15562 1 620 . 1 1 62 62 ALA H H 1 8.15 0.02 . 1 . . . . 62 ALA H . 15562 1 621 . 1 1 62 62 ALA HA H 1 3.72 0.02 . 1 . . . . 62 ALA HA . 15562 1 622 . 1 1 62 62 ALA HB1 H 1 1.4 0.02 . 1 . . . . 62 ALA HB . 15562 1 623 . 1 1 62 62 ALA HB2 H 1 1.4 0.02 . 1 . . . . 62 ALA HB . 15562 1 624 . 1 1 62 62 ALA HB3 H 1 1.4 0.02 . 1 . . . . 62 ALA HB . 15562 1 625 . 1 1 62 62 ALA C C 13 177.38 0.2 . 1 . . . . 62 ALA C . 15562 1 626 . 1 1 62 62 ALA CA C 13 54.39 0.1 . 1 . . . . 62 ALA CA . 15562 1 627 . 1 1 62 62 ALA CB C 13 18.61 0.1 . 1 . . . . 62 ALA CB . 15562 1 628 . 1 1 62 62 ALA N N 15 120.55 0.1 . 1 . . . . 62 ALA N . 15562 1 629 . 1 1 63 63 LEU H H 1 7.15 0.02 . 1 . . . . 63 LEU H . 15562 1 630 . 1 1 63 63 LEU HA H 1 4.1 0.02 . 1 . . . . 63 LEU HA . 15562 1 631 . 1 1 63 63 LEU HB2 H 1 1.84 0.02 . 2 . . . . 63 LEU HB2 . 15562 1 632 . 1 1 63 63 LEU HB3 H 1 1.59 0.02 . 2 . . . . 63 LEU HB3 . 15562 1 633 . 1 1 63 63 LEU HD11 H 1 0.9 0.02 . 1 . . . . 63 LEU HD1 . 15562 1 634 . 1 1 63 63 LEU HD12 H 1 0.9 0.02 . 1 . . . . 63 LEU HD1 . 15562 1 635 . 1 1 63 63 LEU HD13 H 1 0.9 0.02 . 1 . . . . 63 LEU HD1 . 15562 1 636 . 1 1 63 63 LEU HD21 H 1 0.84 0.02 . 1 . . . . 63 LEU HD2 . 15562 1 637 . 1 1 63 63 LEU HD22 H 1 0.84 0.02 . 1 . . . . 63 LEU HD2 . 15562 1 638 . 1 1 63 63 LEU HD23 H 1 0.84 0.02 . 1 . . . . 63 LEU HD2 . 15562 1 639 . 1 1 63 63 LEU HG H 1 1.87 0.02 . 1 . . . . 63 LEU HG . 15562 1 640 . 1 1 63 63 LEU C C 13 177.97 0.2 . 1 . . . . 63 LEU C . 15562 1 641 . 1 1 63 63 LEU CA C 13 57.03 0.1 . 1 . . . . 63 LEU CA . 15562 1 642 . 1 1 63 63 LEU CB C 13 42.48 0.1 . 1 . . . . 63 LEU CB . 15562 1 643 . 1 1 63 63 LEU CD1 C 13 25.03 0.1 . 1 . . . . 63 LEU CD1 . 15562 1 644 . 1 1 63 63 LEU CD2 C 13 23.33 0.1 . 1 . . . . 63 LEU CD2 . 15562 1 645 . 1 1 63 63 LEU CG C 13 26.54 0.1 . 1 . . . . 63 LEU CG . 15562 1 646 . 1 1 63 63 LEU N N 15 114.71 0.1 . 1 . . . . 63 LEU N . 15562 1 647 . 1 1 64 64 VAL H H 1 7.24 0.02 . 1 . . . . 64 VAL H . 15562 1 648 . 1 1 64 64 VAL HA H 1 4.27 0.02 . 1 . . . . 64 VAL HA . 15562 1 649 . 1 1 64 64 VAL HB H 1 2.11 0.02 . 1 . . . . 64 VAL HB . 15562 1 650 . 1 1 64 64 VAL HG11 H 1 0.95 0.02 . 1 . . . . 64 VAL HG1 . 15562 1 651 . 1 1 64 64 VAL HG12 H 1 0.95 0.02 . 1 . . . . 64 VAL HG1 . 15562 1 652 . 1 1 64 64 VAL HG13 H 1 0.95 0.02 . 1 . . . . 64 VAL HG1 . 15562 1 653 . 1 1 64 64 VAL HG21 H 1 0.97 0.02 . 1 . . . . 64 VAL HG2 . 15562 1 654 . 1 1 64 64 VAL HG22 H 1 0.97 0.02 . 1 . . . . 64 VAL HG2 . 15562 1 655 . 1 1 64 64 VAL HG23 H 1 0.97 0.02 . 1 . . . . 64 VAL HG2 . 15562 1 656 . 1 1 64 64 VAL C C 13 176.07 0.2 . 1 . . . . 64 VAL C . 15562 1 657 . 1 1 64 64 VAL CA C 13 63.21 0.1 . 1 . . . . 64 VAL CA . 15562 1 658 . 1 1 64 64 VAL CB C 13 33.72 0.1 . 1 . . . . 64 VAL CB . 15562 1 659 . 1 1 64 64 VAL CG1 C 13 21.75 0.1 . 1 . . . . 64 VAL CG1 . 15562 1 660 . 1 1 64 64 VAL CG2 C 13 20.3 0.1 . 1 . . . . 64 VAL CG2 . 15562 1 661 . 1 1 64 64 VAL N N 15 114.13 0.1 . 1 . . . . 64 VAL N . 15562 1 662 . 1 1 65 65 ARG H H 1 8.72 0.02 . 1 . . . . 65 ARG H . 15562 1 663 . 1 1 65 65 ARG HA H 1 4.72 0.02 . 1 . . . . 65 ARG HA . 15562 1 664 . 1 1 65 65 ARG HB2 H 1 1.8 0.02 . 2 . . . . 65 ARG HB2 . 15562 1 665 . 1 1 65 65 ARG HB3 H 1 1.73 0.02 . 2 . . . . 65 ARG HB3 . 15562 1 666 . 1 1 65 65 ARG HD2 H 1 3.29 0.02 . 2 . . . . 65 ARG HD2 . 15562 1 667 . 1 1 65 65 ARG HD3 H 1 3.26 0.02 . 2 . . . . 65 ARG HD3 . 15562 1 668 . 1 1 65 65 ARG HG2 H 1 1.61 0.02 . 2 . . . . 65 ARG HG2 . 15562 1 669 . 1 1 65 65 ARG HG3 H 1 1.55 0.02 . 2 . . . . 65 ARG HG3 . 15562 1 670 . 1 1 65 65 ARG C C 13 175.28 0.2 . 1 . . . . 65 ARG C . 15562 1 671 . 1 1 65 65 ARG CA C 13 52.89 0.1 . 1 . . . . 65 ARG CA . 15562 1 672 . 1 1 65 65 ARG CB C 13 30.65 0.1 . 1 . . . . 65 ARG CB . 15562 1 673 . 1 1 65 65 ARG CD C 13 41.86 0.1 . 1 . . . . 65 ARG CD . 15562 1 674 . 1 1 65 65 ARG CG C 13 26.94 0.1 . 1 . . . . 65 ARG CG . 15562 1 675 . 1 1 65 65 ARG N N 15 122.43 0.1 . 1 . . . . 65 ARG N . 15562 1 676 . 1 1 66 66 ARG H H 1 8.89 0.02 . 1 . . . . 66 ARG H . 15562 1 677 . 1 1 66 66 ARG HA H 1 3.87 0.02 . 1 . . . . 66 ARG HA . 15562 1 678 . 1 1 66 66 ARG HB2 H 1 2.05 0.02 . 2 . . . . 66 ARG HB2 . 15562 1 679 . 1 1 66 66 ARG HB3 H 1 1.78 0.02 . 2 . . . . 66 ARG HB3 . 15562 1 680 . 1 1 66 66 ARG HD2 H 1 3.18 0.02 . 2 . . . . 66 ARG HD2 . 15562 1 681 . 1 1 66 66 ARG HG2 H 1 1.65 0.02 . 2 . . . . 66 ARG HG2 . 15562 1 682 . 1 1 66 66 ARG C C 13 177.6 0.2 . 1 . . . . 66 ARG C . 15562 1 683 . 1 1 66 66 ARG CA C 13 60.73 0.1 . 1 . . . . 66 ARG CA . 15562 1 684 . 1 1 66 66 ARG CB C 13 29.65 0.1 . 1 . . . . 66 ARG CB . 15562 1 685 . 1 1 66 66 ARG CD C 13 43.12 0.1 . 1 . . . . 66 ARG CD . 15562 1 686 . 1 1 66 66 ARG CG C 13 27.48 0.1 . 1 . . . . 66 ARG CG . 15562 1 687 . 1 1 66 66 ARG N N 15 127.12 0.1 . 1 . . . . 66 ARG N . 15562 1 688 . 1 1 67 67 ASP H H 1 8.85 0.02 . 1 . . . . 67 ASP H . 15562 1 689 . 1 1 67 67 ASP HA H 1 4.31 0.02 . 1 . . . . 67 ASP HA . 15562 1 690 . 1 1 67 67 ASP HB2 H 1 2.78 0.02 . 2 . . . . 67 ASP HB2 . 15562 1 691 . 1 1 67 67 ASP HB3 H 1 2.57 0.02 . 2 . . . . 67 ASP HB3 . 15562 1 692 . 1 1 67 67 ASP C C 13 179.15 0.2 . 1 . . . . 67 ASP C . 15562 1 693 . 1 1 67 67 ASP CA C 13 56.4 0.1 . 1 . . . . 67 ASP CA . 15562 1 694 . 1 1 67 67 ASP CB C 13 38.81 0.1 . 1 . . . . 67 ASP CB . 15562 1 695 . 1 1 67 67 ASP N N 15 115.95 0.1 . 1 . . . . 67 ASP N . 15562 1 696 . 1 1 68 68 ARG H H 1 7.56 0.02 . 1 . . . . 68 ARG H . 15562 1 697 . 1 1 68 68 ARG HA H 1 4.07 0.02 . 1 . . . . 68 ARG HA . 15562 1 698 . 1 1 68 68 ARG HB2 H 1 1.85 0.02 . 2 . . . . 68 ARG HB2 . 15562 1 699 . 1 1 68 68 ARG HB3 H 1 1.64 0.02 . 2 . . . . 68 ARG HB3 . 15562 1 700 . 1 1 68 68 ARG HD2 H 1 3.06 0.02 . 2 . . . . 68 ARG HD2 . 15562 1 701 . 1 1 68 68 ARG HG2 H 1 1.51 0.02 . 2 . . . . 68 ARG HG2 . 15562 1 702 . 1 1 68 68 ARG C C 13 177.65 0.2 . 1 . . . . 68 ARG C . 15562 1 703 . 1 1 68 68 ARG CA C 13 58.66 0.1 . 1 . . . . 68 ARG CA . 15562 1 704 . 1 1 68 68 ARG CB C 13 30 0.1 . 1 . . . . 68 ARG CB . 15562 1 705 . 1 1 68 68 ARG CD C 13 43.36 0.1 . 1 . . . . 68 ARG CD . 15562 1 706 . 1 1 68 68 ARG CG C 13 27.41 0.1 . 1 . . . . 68 ARG CG . 15562 1 707 . 1 1 68 68 ARG N N 15 122.5 0.1 . 1 . . . . 68 ARG N . 15562 1 708 . 1 1 69 69 ALA H H 1 7.63 0.02 . 1 . . . . 69 ALA H . 15562 1 709 . 1 1 69 69 ALA HA H 1 3.85 0.02 . 1 . . . . 69 ALA HA . 15562 1 710 . 1 1 69 69 ALA HB1 H 1 1.43 0.02 . 1 . . . . 69 ALA HB . 15562 1 711 . 1 1 69 69 ALA HB2 H 1 1.43 0.02 . 1 . . . . 69 ALA HB . 15562 1 712 . 1 1 69 69 ALA HB3 H 1 1.43 0.02 . 1 . . . . 69 ALA HB . 15562 1 713 . 1 1 69 69 ALA C C 13 179.2 0.2 . 1 . . . . 69 ALA C . 15562 1 714 . 1 1 69 69 ALA CA C 13 55.58 0.1 . 1 . . . . 69 ALA CA . 15562 1 715 . 1 1 69 69 ALA CB C 13 18.49 0.1 . 1 . . . . 69 ALA CB . 15562 1 716 . 1 1 69 69 ALA N N 15 120.33 0.1 . 1 . . . . 69 ALA N . 15562 1 717 . 1 1 70 70 GLN H H 1 8.68 0.02 . 1 . . . . 70 GLN H . 15562 1 718 . 1 1 70 70 GLN HA H 1 4.06 0.02 . 1 . . . . 70 GLN HA . 15562 1 719 . 1 1 70 70 GLN HB2 H 1 2.18 0.02 . 2 . . . . 70 GLN HB2 . 15562 1 720 . 1 1 70 70 GLN HB3 H 1 2.08 0.02 . 2 . . . . 70 GLN HB3 . 15562 1 721 . 1 1 70 70 GLN HE21 H 1 7.45 0.02 . 2 . . . . 70 GLN HE21 . 15562 1 722 . 1 1 70 70 GLN HE22 H 1 6.69 0.02 . 2 . . . . 70 GLN HE22 . 15562 1 723 . 1 1 70 70 GLN HG2 H 1 2.47 0.02 . 2 . . . . 70 GLN HG2 . 15562 1 724 . 1 1 70 70 GLN HG3 H 1 2.37 0.02 . 2 . . . . 70 GLN HG3 . 15562 1 725 . 1 1 70 70 GLN C C 13 178.23 0.2 . 1 . . . . 70 GLN C . 15562 1 726 . 1 1 70 70 GLN CA C 13 59.02 0.1 . 1 . . . . 70 GLN CA . 15562 1 727 . 1 1 70 70 GLN CB C 13 28.61 0.1 . 1 . . . . 70 GLN CB . 15562 1 728 . 1 1 70 70 GLN CG C 13 34.78 0.1 . 1 . . . . 70 GLN CG . 15562 1 729 . 1 1 70 70 GLN N N 15 117.29 0.1 . 1 . . . . 70 GLN N . 15562 1 730 . 1 1 71 71 ALA H H 1 7.76 0.02 . 1 . . . . 71 ALA H . 15562 1 731 . 1 1 71 71 ALA HA H 1 4.19 0.02 . 1 . . . . 71 ALA HA . 15562 1 732 . 1 1 71 71 ALA HB1 H 1 1.55 0.02 . 1 . . . . 71 ALA HB . 15562 1 733 . 1 1 71 71 ALA HB2 H 1 1.55 0.02 . 1 . . . . 71 ALA HB . 15562 1 734 . 1 1 71 71 ALA HB3 H 1 1.55 0.02 . 1 . . . . 71 ALA HB . 15562 1 735 . 1 1 71 71 ALA C C 13 181.08 0.2 . 1 . . . . 71 ALA C . 15562 1 736 . 1 1 71 71 ALA CA C 13 55.46 0.1 . 1 . . . . 71 ALA CA . 15562 1 737 . 1 1 71 71 ALA CB C 13 18.27 0.1 . 1 . . . . 71 ALA CB . 15562 1 738 . 1 1 71 71 ALA N N 15 122.42 0.1 . 1 . . . . 71 ALA N . 15562 1 739 . 1 1 72 72 VAL H H 1 7.89 0.02 . 1 . . . . 72 VAL H . 15562 1 740 . 1 1 72 72 VAL HA H 1 3.5 0.02 . 1 . . . . 72 VAL HA . 15562 1 741 . 1 1 72 72 VAL HB H 1 2.34 0.02 . 1 . . . . 72 VAL HB . 15562 1 742 . 1 1 72 72 VAL HG11 H 1 0.98 0.02 . 1 . . . . 72 VAL HG1 . 15562 1 743 . 1 1 72 72 VAL HG12 H 1 0.98 0.02 . 1 . . . . 72 VAL HG1 . 15562 1 744 . 1 1 72 72 VAL HG13 H 1 0.98 0.02 . 1 . . . . 72 VAL HG1 . 15562 1 745 . 1 1 72 72 VAL HG21 H 1 0.89 0.02 . 1 . . . . 72 VAL HG2 . 15562 1 746 . 1 1 72 72 VAL HG22 H 1 0.89 0.02 . 1 . . . . 72 VAL HG2 . 15562 1 747 . 1 1 72 72 VAL HG23 H 1 0.89 0.02 . 1 . . . . 72 VAL HG2 . 15562 1 748 . 1 1 72 72 VAL C C 13 177.14 0.2 . 1 . . . . 72 VAL C . 15562 1 749 . 1 1 72 72 VAL CA C 13 66.8 0.1 . 1 . . . . 72 VAL CA . 15562 1 750 . 1 1 72 72 VAL CB C 13 30.99 0.1 . 1 . . . . 72 VAL CB . 15562 1 751 . 1 1 72 72 VAL CG1 C 13 23.36 0.1 . 1 . . . . 72 VAL CG1 . 15562 1 752 . 1 1 72 72 VAL CG2 C 13 22.16 0.1 . 1 . . . . 72 VAL CG2 . 15562 1 753 . 1 1 72 72 VAL N N 15 119.85 0.1 . 1 . . . . 72 VAL N . 15562 1 754 . 1 1 73 73 GLU H H 1 8.28 0.02 . 1 . . . . 73 GLU H . 15562 1 755 . 1 1 73 73 GLU HA H 1 3.75 0.02 . 1 . . . . 73 GLU HA . 15562 1 756 . 1 1 73 73 GLU HB2 H 1 2.32 0.02 . 2 . . . . 73 GLU HB2 . 15562 1 757 . 1 1 73 73 GLU HB3 H 1 2.01 0.02 . 2 . . . . 73 GLU HB3 . 15562 1 758 . 1 1 73 73 GLU HG2 H 1 2.1 0.02 . 2 . . . . 73 GLU HG2 . 15562 1 759 . 1 1 73 73 GLU HG3 H 1 2.1 0.02 . 2 . . . . 73 GLU HG3 . 15562 1 760 . 1 1 73 73 GLU C C 13 177.77 0.2 . 1 . . . . 73 GLU C . 15562 1 761 . 1 1 73 73 GLU CA C 13 61.11 0.1 . 1 . . . . 73 GLU CA . 15562 1 762 . 1 1 73 73 GLU CB C 13 29.69 0.1 . 1 . . . . 73 GLU CB . 15562 1 763 . 1 1 73 73 GLU CG C 13 37.46 0.1 . 1 . . . . 73 GLU CG . 15562 1 764 . 1 1 73 73 GLU N N 15 120.65 0.1 . 1 . . . . 73 GLU N . 15562 1 765 . 1 1 74 74 THR H H 1 8.73 0.02 . 1 . . . . 74 THR H . 15562 1 766 . 1 1 74 74 THR HA H 1 3.73 0.02 . 1 . . . . 74 THR HA . 15562 1 767 . 1 1 74 74 THR HB H 1 4.23 0.02 . 1 . . . . 74 THR HB . 15562 1 768 . 1 1 74 74 THR HG21 H 1 1.21 0.02 . 1 . . . . 74 THR HG2 . 15562 1 769 . 1 1 74 74 THR HG22 H 1 1.21 0.02 . 1 . . . . 74 THR HG2 . 15562 1 770 . 1 1 74 74 THR HG23 H 1 1.21 0.02 . 1 . . . . 74 THR HG2 . 15562 1 771 . 1 1 74 74 THR C C 13 175.81 0.2 . 1 . . . . 74 THR C . 15562 1 772 . 1 1 74 74 THR CA C 13 67.25 0.1 . 1 . . . . 74 THR CA . 15562 1 773 . 1 1 74 74 THR CB C 13 69.09 0.1 . 1 . . . . 74 THR CB . 15562 1 774 . 1 1 74 74 THR CG2 C 13 21.79 0.1 . 1 . . . . 74 THR CG2 . 15562 1 775 . 1 1 74 74 THR N N 15 116.5 0.1 . 1 . . . . 74 THR N . 15562 1 776 . 1 1 75 75 TYR H H 1 7.8 0.02 . 1 . . . . 75 TYR H . 15562 1 777 . 1 1 75 75 TYR HA H 1 4.13 0.02 . 1 . . . . 75 TYR HA . 15562 1 778 . 1 1 75 75 TYR HB2 H 1 3.19 0.02 . 2 . . . . 75 TYR HB2 . 15562 1 779 . 1 1 75 75 TYR HB3 H 1 3.08 0.02 . 2 . . . . 75 TYR HB3 . 15562 1 780 . 1 1 75 75 TYR HD1 H 1 6.96 0.02 . 1 . . . . 75 TYR HD1 . 15562 1 781 . 1 1 75 75 TYR HD2 H 1 7.11 0.02 . 1 . . . . 75 TYR HD2 . 15562 1 782 . 1 1 75 75 TYR HE1 H 1 6.72 0.02 . 1 . . . . 75 TYR HE1 . 15562 1 783 . 1 1 75 75 TYR HE2 H 1 6.72 0.02 . 1 . . . . 75 TYR HE2 . 15562 1 784 . 1 1 75 75 TYR C C 13 177.86 0.2 . 1 . . . . 75 TYR C . 15562 1 785 . 1 1 75 75 TYR CA C 13 61.57 0.1 . 1 . . . . 75 TYR CA . 15562 1 786 . 1 1 75 75 TYR CB C 13 38.4 0.1 . 1 . . . . 75 TYR CB . 15562 1 787 . 1 1 75 75 TYR N N 15 122.61 0.1 . 1 . . . . 75 TYR N . 15562 1 788 . 1 1 76 76 LEU H H 1 8.69 0.02 . 1 . . . . 76 LEU H . 15562 1 789 . 1 1 76 76 LEU HA H 1 3.84 0.02 . 1 . . . . 76 LEU HA . 15562 1 790 . 1 1 76 76 LEU HB2 H 1 2.03 0.02 . 2 . . . . 76 LEU HB2 . 15562 1 791 . 1 1 76 76 LEU HB3 H 1 1.09 0.02 . 2 . . . . 76 LEU HB3 . 15562 1 792 . 1 1 76 76 LEU HD11 H 1 0.84 0.02 . 1 . . . . 76 LEU HD1 . 15562 1 793 . 1 1 76 76 LEU HD12 H 1 0.84 0.02 . 1 . . . . 76 LEU HD1 . 15562 1 794 . 1 1 76 76 LEU HD13 H 1 0.84 0.02 . 1 . . . . 76 LEU HD1 . 15562 1 795 . 1 1 76 76 LEU HD21 H 1 0.77 0.02 . 1 . . . . 76 LEU HD2 . 15562 1 796 . 1 1 76 76 LEU HD22 H 1 0.77 0.02 . 1 . . . . 76 LEU HD2 . 15562 1 797 . 1 1 76 76 LEU HD23 H 1 0.77 0.02 . 1 . . . . 76 LEU HD2 . 15562 1 798 . 1 1 76 76 LEU HG H 1 0.81 0.02 . 1 . . . . 76 LEU HG . 15562 1 799 . 1 1 76 76 LEU C C 13 178.58 0.2 . 1 . . . . 76 LEU C . 15562 1 800 . 1 1 76 76 LEU CA C 13 57.63 0.1 . 1 . . . . 76 LEU CA . 15562 1 801 . 1 1 76 76 LEU CB C 13 42.05 0.1 . 1 . . . . 76 LEU CB . 15562 1 802 . 1 1 76 76 LEU CD1 C 13 23.14 0.1 . 1 . . . . 76 LEU CD1 . 15562 1 803 . 1 1 76 76 LEU CD2 C 13 23.14 0.1 . 1 . . . . 76 LEU CD2 . 15562 1 804 . 1 1 76 76 LEU CG C 13 27.02 0.1 . 1 . . . . 76 LEU CG . 15562 1 805 . 1 1 76 76 LEU N N 15 118.76 0.1 . 1 . . . . 76 LEU N . 15562 1 806 . 1 1 77 77 LYS H H 1 8.69 0.02 . 1 . . . . 77 LYS H . 15562 1 807 . 1 1 77 77 LYS HA H 1 3.65 0.02 . 1 . . . . 77 LYS HA . 15562 1 808 . 1 1 77 77 LYS HB2 H 1 1.78 0.02 . 2 . . . . 77 LYS HB2 . 15562 1 809 . 1 1 77 77 LYS HD2 H 1 1.58 0.02 . 2 . . . . 77 LYS HD2 . 15562 1 810 . 1 1 77 77 LYS HE2 H 1 2.81 0.02 . 2 . . . . 77 LYS HE2 . 15562 1 811 . 1 1 77 77 LYS HG2 H 1 1.58 0.02 . 2 . . . . 77 LYS HG2 . 15562 1 812 . 1 1 77 77 LYS HG3 H 1 1.26 0.02 . 2 . . . . 77 LYS HG3 . 15562 1 813 . 1 1 77 77 LYS C C 13 179.32 0.2 . 1 . . . . 77 LYS C . 15562 1 814 . 1 1 77 77 LYS CA C 13 60.76 0.1 . 1 . . . . 77 LYS CA . 15562 1 815 . 1 1 77 77 LYS CB C 13 32.33 0.1 . 1 . . . . 77 LYS CB . 15562 1 816 . 1 1 77 77 LYS CD C 13 29.95 0.1 . 1 . . . . 77 LYS CD . 15562 1 817 . 1 1 77 77 LYS CE C 13 41.54 0.1 . 1 . . . . 77 LYS CE . 15562 1 818 . 1 1 77 77 LYS CG C 13 26.39 0.1 . 1 . . . . 77 LYS CG . 15562 1 819 . 1 1 77 77 LYS N N 15 118.64 0.1 . 1 . . . . 77 LYS N . 15562 1 820 . 1 1 78 78 LYS H H 1 7.36 0.02 . 1 . . . . 78 LYS H . 15562 1 821 . 1 1 78 78 LYS HA H 1 3.98 0.02 . 1 . . . . 78 LYS HA . 15562 1 822 . 1 1 78 78 LYS HB2 H 1 1.79 0.02 . 2 . . . . 78 LYS HB2 . 15562 1 823 . 1 1 78 78 LYS HD2 H 1 1.56 0.02 . 2 . . . . 78 LYS HD2 . 15562 1 824 . 1 1 78 78 LYS HE2 H 1 2.82 0.02 . 2 . . . . 78 LYS HE2 . 15562 1 825 . 1 1 78 78 LYS HG2 H 1 1.45 0.02 . 2 . . . . 78 LYS HG2 . 15562 1 826 . 1 1 78 78 LYS HG3 H 1 1.25 0.02 . 2 . . . . 78 LYS HG3 . 15562 1 827 . 1 1 78 78 LYS C C 13 178.85 0.2 . 1 . . . . 78 LYS C . 15562 1 828 . 1 1 78 78 LYS CA C 13 59.31 0.1 . 1 . . . . 78 LYS CA . 15562 1 829 . 1 1 78 78 LYS CB C 13 31.71 0.1 . 1 . . . . 78 LYS CB . 15562 1 830 . 1 1 78 78 LYS CD C 13 29.06 0.1 . 1 . . . . 78 LYS CD . 15562 1 831 . 1 1 78 78 LYS CE C 13 41.75 0.1 . 1 . . . . 78 LYS CE . 15562 1 832 . 1 1 78 78 LYS CG C 13 25.03 0.1 . 1 . . . . 78 LYS CG . 15562 1 833 . 1 1 78 78 LYS N N 15 119.35 0.1 . 1 . . . . 78 LYS N . 15562 1 834 . 1 1 79 79 LEU H H 1 7.67 0.02 . 1 . . . . 79 LEU H . 15562 1 835 . 1 1 79 79 LEU HA H 1 3.78 0.02 . 1 . . . . 79 LEU HA . 15562 1 836 . 1 1 79 79 LEU HB2 H 1 1.41 0.02 . 2 . . . . 79 LEU HB2 . 15562 1 837 . 1 1 79 79 LEU HD11 H 1 0.68 0.02 . 1 . . . . 79 LEU HD1 . 15562 1 838 . 1 1 79 79 LEU HD12 H 1 0.68 0.02 . 1 . . . . 79 LEU HD1 . 15562 1 839 . 1 1 79 79 LEU HD13 H 1 0.68 0.02 . 1 . . . . 79 LEU HD1 . 15562 1 840 . 1 1 79 79 LEU HD21 H 1 0.68 0.02 . 1 . . . . 79 LEU HD2 . 15562 1 841 . 1 1 79 79 LEU HD22 H 1 0.68 0.02 . 1 . . . . 79 LEU HD2 . 15562 1 842 . 1 1 79 79 LEU HD23 H 1 0.68 0.02 . 1 . . . . 79 LEU HD2 . 15562 1 843 . 1 1 79 79 LEU HG H 1 1.3 0.02 . 1 . . . . 79 LEU HG . 15562 1 844 . 1 1 79 79 LEU C C 13 179.44 0.2 . 1 . . . . 79 LEU C . 15562 1 845 . 1 1 79 79 LEU CA C 13 58.04 0.1 . 1 . . . . 79 LEU CA . 15562 1 846 . 1 1 79 79 LEU CB C 13 42.34 0.1 . 1 . . . . 79 LEU CB . 15562 1 847 . 1 1 79 79 LEU CD1 C 13 24.41 0.1 . 1 . . . . 79 LEU CD1 . 15562 1 848 . 1 1 79 79 LEU CD2 C 13 24.41 0.1 . 1 . . . . 79 LEU CD2 . 15562 1 849 . 1 1 79 79 LEU CG C 13 26.45 0.1 . 1 . . . . 79 LEU CG . 15562 1 850 . 1 1 79 79 LEU N N 15 121.39 0.1 . 1 . . . . 79 LEU N . 15562 1 851 . 1 1 80 80 ILE H H 1 8.45 0.02 . 1 . . . . 80 ILE H . 15562 1 852 . 1 1 80 80 ILE HA H 1 3.38 0.02 . 1 . . . . 80 ILE HA . 15562 1 853 . 1 1 80 80 ILE HB H 1 1.42 0.02 . 1 . . . . 80 ILE HB . 15562 1 854 . 1 1 80 80 ILE HD11 H 1 0.34 0.02 . 1 . . . . 80 ILE HD1 . 15562 1 855 . 1 1 80 80 ILE HD12 H 1 0.34 0.02 . 1 . . . . 80 ILE HD1 . 15562 1 856 . 1 1 80 80 ILE HD13 H 1 0.34 0.02 . 1 . . . . 80 ILE HD1 . 15562 1 857 . 1 1 80 80 ILE HG12 H 1 1.32 0.02 . 2 . . . . 80 ILE HG12 . 15562 1 858 . 1 1 80 80 ILE HG13 H 1 0.2 0.02 . 2 . . . . 80 ILE HG13 . 15562 1 859 . 1 1 80 80 ILE HG21 H 1 0.28 0.02 . 1 . . . . 80 ILE HG2 . 15562 1 860 . 1 1 80 80 ILE HG22 H 1 0.28 0.02 . 1 . . . . 80 ILE HG2 . 15562 1 861 . 1 1 80 80 ILE HG23 H 1 0.28 0.02 . 1 . . . . 80 ILE HG2 . 15562 1 862 . 1 1 80 80 ILE C C 13 178.97 0.2 . 1 . . . . 80 ILE C . 15562 1 863 . 1 1 80 80 ILE CA C 13 64.56 0.1 . 1 . . . . 80 ILE CA . 15562 1 864 . 1 1 80 80 ILE CB C 13 38.47 0.1 . 1 . . . . 80 ILE CB . 15562 1 865 . 1 1 80 80 ILE CD1 C 13 14.89 0.1 . 1 . . . . 80 ILE CD1 . 15562 1 866 . 1 1 80 80 ILE CG1 C 13 29.43 0.1 . 1 . . . . 80 ILE CG1 . 15562 1 867 . 1 1 80 80 ILE CG2 C 13 17.22 0.1 . 1 . . . . 80 ILE CG2 . 15562 1 868 . 1 1 80 80 ILE N N 15 119.75 0.1 . 1 . . . . 80 ILE N . 15562 1 869 . 1 1 81 81 ALA H H 1 7.72 0.02 . 1 . . . . 81 ALA H . 15562 1 870 . 1 1 81 81 ALA HA H 1 4.12 0.02 . 1 . . . . 81 ALA HA . 15562 1 871 . 1 1 81 81 ALA HB1 H 1 1.45 0.02 . 1 . . . . 81 ALA HB . 15562 1 872 . 1 1 81 81 ALA HB2 H 1 1.45 0.02 . 1 . . . . 81 ALA HB . 15562 1 873 . 1 1 81 81 ALA HB3 H 1 1.45 0.02 . 1 . . . . 81 ALA HB . 15562 1 874 . 1 1 81 81 ALA C C 13 178.78 0.2 . 1 . . . . 81 ALA C . 15562 1 875 . 1 1 81 81 ALA CA C 13 54.25 0.1 . 1 . . . . 81 ALA CA . 15562 1 876 . 1 1 81 81 ALA CB C 13 18.91 0.1 . 1 . . . . 81 ALA CB . 15562 1 877 . 1 1 81 81 ALA N N 15 121.14 0.1 . 1 . . . . 81 ALA N . 15562 1 878 . 1 1 82 82 THR H H 1 7.37 0.02 . 1 . . . . 82 THR H . 15562 1 879 . 1 1 82 82 THR HA H 1 4.27 0.02 . 1 . . . . 82 THR HA . 15562 1 880 . 1 1 82 82 THR HB H 1 4.36 0.02 . 1 . . . . 82 THR HB . 15562 1 881 . 1 1 82 82 THR HG21 H 1 1.2 0.02 . 1 . . . . 82 THR HG2 . 15562 1 882 . 1 1 82 82 THR HG22 H 1 1.2 0.02 . 1 . . . . 82 THR HG2 . 15562 1 883 . 1 1 82 82 THR HG23 H 1 1.2 0.02 . 1 . . . . 82 THR HG2 . 15562 1 884 . 1 1 82 82 THR C C 13 174.16 0.2 . 1 . . . . 82 THR C . 15562 1 885 . 1 1 82 82 THR CA C 13 61.92 0.1 . 1 . . . . 82 THR CA . 15562 1 886 . 1 1 82 82 THR CB C 13 69.89 0.1 . 1 . . . . 82 THR CB . 15562 1 887 . 1 1 82 82 THR CG2 C 13 21.37 0.1 . 1 . . . . 82 THR CG2 . 15562 1 888 . 1 1 82 82 THR N N 15 105.73 0.1 . 1 . . . . 82 THR N . 15562 1 889 . 1 1 83 83 ASN H H 1 7.87 0.02 . 1 . . . . 83 ASN H . 15562 1 890 . 1 1 83 83 ASN HA H 1 4.68 0.02 . 1 . . . . 83 ASN HA . 15562 1 891 . 1 1 83 83 ASN HB2 H 1 2.92 0.02 . 2 . . . . 83 ASN HB2 . 15562 1 892 . 1 1 83 83 ASN HB3 H 1 2.76 0.02 . 2 . . . . 83 ASN HB3 . 15562 1 893 . 1 1 83 83 ASN HD21 H 1 7.49 0.02 . 2 . . . . 83 ASN HD21 . 15562 1 894 . 1 1 83 83 ASN HD22 H 1 6.79 0.02 . 2 . . . . 83 ASN HD22 . 15562 1 895 . 1 1 83 83 ASN C C 13 174.46 0.2 . 1 . . . . 83 ASN C . 15562 1 896 . 1 1 83 83 ASN CA C 13 54.26 0.1 . 1 . . . . 83 ASN CA . 15562 1 897 . 1 1 83 83 ASN CB C 13 38.05 0.1 . 1 . . . . 83 ASN CB . 15562 1 898 . 1 1 83 83 ASN N N 15 116.09 0.1 . 1 . . . . 83 ASN N . 15562 1 899 . 1 1 83 83 ASN ND2 N 15 113.17 0.1 . 1 . . . . 83 ASN ND2 . 15562 1 900 . 1 1 84 84 ASN H H 1 8.13 0.02 . 1 . . . . 84 ASN H . 15562 1 901 . 1 1 84 84 ASN HA H 1 4.8 0.02 . 1 . . . . 84 ASN HA . 15562 1 902 . 1 1 84 84 ASN HB2 H 1 2.84 0.02 . 2 . . . . 84 ASN HB2 . 15562 1 903 . 1 1 84 84 ASN HB3 H 1 2.46 0.02 . 2 . . . . 84 ASN HB3 . 15562 1 904 . 1 1 84 84 ASN HD21 H 1 7.36 0.02 . 2 . . . . 84 ASN HD21 . 15562 1 905 . 1 1 84 84 ASN HD22 H 1 6.83 0.02 . 2 . . . . 84 ASN HD22 . 15562 1 906 . 1 1 84 84 ASN C C 13 174.57 0.2 . 1 . . . . 84 ASN C . 15562 1 907 . 1 1 84 84 ASN CA C 13 53.43 0.1 . 1 . . . . 84 ASN CA . 15562 1 908 . 1 1 84 84 ASN CB C 13 39.75 0.1 . 1 . . . . 84 ASN CB . 15562 1 909 . 1 1 84 84 ASN N N 15 115.77 0.1 . 1 . . . . 84 ASN N . 15562 1 910 . 1 1 84 84 ASN ND2 N 15 112.81 0.1 . 1 . . . . 84 ASN ND2 . 15562 1 911 . 1 1 85 85 VAL H H 1 7.92 0.02 . 1 . . . . 85 VAL H . 15562 1 912 . 1 1 85 85 VAL HA H 1 4.19 0.02 . 1 . . . . 85 VAL HA . 15562 1 913 . 1 1 85 85 VAL HB H 1 1.97 0.02 . 1 . . . . 85 VAL HB . 15562 1 914 . 1 1 85 85 VAL HG11 H 1 0.89 0.02 . 1 . . . . 85 VAL HG1 . 15562 1 915 . 1 1 85 85 VAL HG12 H 1 0.89 0.02 . 1 . . . . 85 VAL HG1 . 15562 1 916 . 1 1 85 85 VAL HG13 H 1 0.89 0.02 . 1 . . . . 85 VAL HG1 . 15562 1 917 . 1 1 85 85 VAL HG21 H 1 0.66 0.02 . 1 . . . . 85 VAL HG2 . 15562 1 918 . 1 1 85 85 VAL HG22 H 1 0.66 0.02 . 1 . . . . 85 VAL HG2 . 15562 1 919 . 1 1 85 85 VAL HG23 H 1 0.66 0.02 . 1 . . . . 85 VAL HG2 . 15562 1 920 . 1 1 85 85 VAL C C 13 176.5 0.2 . 1 . . . . 85 VAL C . 15562 1 921 . 1 1 85 85 VAL CA C 13 62.55 0.1 . 1 . . . . 85 VAL CA . 15562 1 922 . 1 1 85 85 VAL CB C 13 32.02 0.1 . 1 . . . . 85 VAL CB . 15562 1 923 . 1 1 85 85 VAL CG1 C 13 22.06 0.1 . 1 . . . . 85 VAL CG1 . 15562 1 924 . 1 1 85 85 VAL CG2 C 13 21.51 0.1 . 1 . . . . 85 VAL CG2 . 15562 1 925 . 1 1 85 85 VAL N N 15 120.15 0.1 . 1 . . . . 85 VAL N . 15562 1 926 . 1 1 86 86 THR H H 1 8.72 0.02 . 1 . . . . 86 THR H . 15562 1 927 . 1 1 86 86 THR HA H 1 4.39 0.02 . 1 . . . . 86 THR HA . 15562 1 928 . 1 1 86 86 THR HB H 1 4.41 0.02 . 1 . . . . 86 THR HB . 15562 1 929 . 1 1 86 86 THR HG21 H 1 1.09 0.02 . 1 . . . . 86 THR HG2 . 15562 1 930 . 1 1 86 86 THR HG22 H 1 1.09 0.02 . 1 . . . . 86 THR HG2 . 15562 1 931 . 1 1 86 86 THR HG23 H 1 1.09 0.02 . 1 . . . . 86 THR HG2 . 15562 1 932 . 1 1 86 86 THR C C 13 173.93 0.2 . 1 . . . . 86 THR C . 15562 1 933 . 1 1 86 86 THR CA C 13 61.7 0.1 . 1 . . . . 86 THR CA . 15562 1 934 . 1 1 86 86 THR CB C 13 69.78 0.1 . 1 . . . . 86 THR CB . 15562 1 935 . 1 1 86 86 THR CG2 C 13 21.89 0.1 . 1 . . . . 86 THR CG2 . 15562 1 936 . 1 1 86 86 THR N N 15 117.06 0.1 . 1 . . . . 86 THR N . 15562 1 937 . 1 1 87 87 HIS H H 1 7.47 0.02 . 1 . . . . 87 HIS H . 15562 1 938 . 1 1 87 87 HIS HA H 1 4.81 0.02 . 1 . . . . 87 HIS HA . 15562 1 939 . 1 1 87 87 HIS HB2 H 1 3.25 0.02 . 2 . . . . 87 HIS HB2 . 15562 1 940 . 1 1 87 87 HIS HB3 H 1 3.22 0.02 . 2 . . . . 87 HIS HB3 . 15562 1 941 . 1 1 87 87 HIS C C 13 173.19 0.2 . 1 . . . . 87 HIS C . 15562 1 942 . 1 1 87 87 HIS CA C 13 54.18 0.1 . 1 . . . . 87 HIS CA . 15562 1 943 . 1 1 87 87 HIS CB C 13 30.48 0.1 . 1 . . . . 87 HIS CB . 15562 1 944 . 1 1 87 87 HIS N N 15 117.03 0.1 . 1 . . . . 87 HIS N . 15562 1 945 . 1 1 88 88 LYS H H 1 8.62 0.02 . 1 . . . . 88 LYS H . 15562 1 946 . 1 1 88 88 LYS HA H 1 4.15 0.02 . 1 . . . . 88 LYS HA . 15562 1 947 . 1 1 88 88 LYS HB2 H 1 1.8 0.02 . 2 . . . . 88 LYS HB2 . 15562 1 948 . 1 1 88 88 LYS HB3 H 1 1.36 0.02 . 2 . . . . 88 LYS HB3 . 15562 1 949 . 1 1 88 88 LYS HD2 H 1 1.41 0.02 . 2 . . . . 88 LYS HD2 . 15562 1 950 . 1 1 88 88 LYS HE2 H 1 2.85 0.02 . 2 . . . . 88 LYS HE2 . 15562 1 951 . 1 1 88 88 LYS HG2 H 1 1.51 0.02 . 2 . . . . 88 LYS HG2 . 15562 1 952 . 1 1 88 88 LYS HG3 H 1 1.14 0.02 . 2 . . . . 88 LYS HG3 . 15562 1 953 . 1 1 88 88 LYS C C 13 177.03 0.2 . 1 . . . . 88 LYS C . 15562 1 954 . 1 1 88 88 LYS CA C 13 57.16 0.1 . 1 . . . . 88 LYS CA . 15562 1 955 . 1 1 88 88 LYS CB C 13 32.93 0.1 . 1 . . . . 88 LYS CB . 15562 1 956 . 1 1 88 88 LYS CD C 13 29.13 0.1 . 1 . . . . 88 LYS CD . 15562 1 957 . 1 1 88 88 LYS CE C 13 41.86 0.1 . 1 . . . . 88 LYS CE . 15562 1 958 . 1 1 88 88 LYS CG C 13 26.03 0.1 . 1 . . . . 88 LYS CG . 15562 1 959 . 1 1 88 88 LYS N N 15 119.74 0.1 . 1 . . . . 88 LYS N . 15562 1 960 . 1 1 89 89 ILE H H 1 8.9 0.02 . 1 . . . . 89 ILE H . 15562 1 961 . 1 1 89 89 ILE HA H 1 4.23 0.02 . 1 . . . . 89 ILE HA . 15562 1 962 . 1 1 89 89 ILE HB H 1 1.94 0.02 . 1 . . . . 89 ILE HB . 15562 1 963 . 1 1 89 89 ILE HD11 H 1 0.77 0.02 . 1 . . . . 89 ILE HD1 . 15562 1 964 . 1 1 89 89 ILE HD12 H 1 0.77 0.02 . 1 . . . . 89 ILE HD1 . 15562 1 965 . 1 1 89 89 ILE HD13 H 1 0.77 0.02 . 1 . . . . 89 ILE HD1 . 15562 1 966 . 1 1 89 89 ILE HG12 H 1 1.53 0.02 . 2 . . . . 89 ILE HG12 . 15562 1 967 . 1 1 89 89 ILE HG21 H 1 0.97 0.02 . 1 . . . . 89 ILE HG2 . 15562 1 968 . 1 1 89 89 ILE HG22 H 1 0.97 0.02 . 1 . . . . 89 ILE HG2 . 15562 1 969 . 1 1 89 89 ILE HG23 H 1 0.97 0.02 . 1 . . . . 89 ILE HG2 . 15562 1 970 . 1 1 89 89 ILE C C 13 176.42 0.2 . 1 . . . . 89 ILE C . 15562 1 971 . 1 1 89 89 ILE CA C 13 60.98 0.1 . 1 . . . . 89 ILE CA . 15562 1 972 . 1 1 89 89 ILE CB C 13 37.11 0.1 . 1 . . . . 89 ILE CB . 15562 1 973 . 1 1 89 89 ILE CD1 C 13 11.97 0.1 . 1 . . . . 89 ILE CD1 . 15562 1 974 . 1 1 89 89 ILE CG1 C 13 27.38 0.1 . 1 . . . . 89 ILE CG1 . 15562 1 975 . 1 1 89 89 ILE CG2 C 13 17.9 0.1 . 1 . . . . 89 ILE CG2 . 15562 1 976 . 1 1 89 89 ILE N N 15 125.15 0.1 . 1 . . . . 89 ILE N . 15562 1 977 . 1 1 90 90 THR H H 1 8.65 0.02 . 1 . . . . 90 THR H . 15562 1 978 . 1 1 90 90 THR HA H 1 4.37 0.02 . 1 . . . . 90 THR HA . 15562 1 979 . 1 1 90 90 THR HB H 1 4.71 0.02 . 1 . . . . 90 THR HB . 15562 1 980 . 1 1 90 90 THR HG21 H 1 1.36 0.02 . 1 . . . . 90 THR HG2 . 15562 1 981 . 1 1 90 90 THR HG22 H 1 1.36 0.02 . 1 . . . . 90 THR HG2 . 15562 1 982 . 1 1 90 90 THR HG23 H 1 1.36 0.02 . 1 . . . . 90 THR HG2 . 15562 1 983 . 1 1 90 90 THR C C 13 176.09 0.2 . 1 . . . . 90 THR C . 15562 1 984 . 1 1 90 90 THR CA C 13 60.82 0.1 . 1 . . . . 90 THR CA . 15562 1 985 . 1 1 90 90 THR CB C 13 72.09 0.1 . 1 . . . . 90 THR CB . 15562 1 986 . 1 1 90 90 THR CG2 C 13 22 0.1 . 1 . . . . 90 THR CG2 . 15562 1 987 . 1 1 90 90 THR N N 15 118.27 0.1 . 1 . . . . 90 THR N . 15562 1 988 . 1 1 91 91 GLU H H 1 9.62 0.02 . 1 . . . . 91 GLU H . 15562 1 989 . 1 1 91 91 GLU HA H 1 3.61 0.02 . 1 . . . . 91 GLU HA . 15562 1 990 . 1 1 91 91 GLU HB2 H 1 2.02 0.02 . 2 . . . . 91 GLU HB2 . 15562 1 991 . 1 1 91 91 GLU HB3 H 1 1.7 0.02 . 2 . . . . 91 GLU HB3 . 15562 1 992 . 1 1 91 91 GLU HG2 H 1 2.23 0.02 . 2 . . . . 91 GLU HG2 . 15562 1 993 . 1 1 91 91 GLU HG3 H 1 1.99 0.02 . 2 . . . . 91 GLU HG3 . 15562 1 994 . 1 1 91 91 GLU C C 13 177.42 0.2 . 1 . . . . 91 GLU C . 15562 1 995 . 1 1 91 91 GLU CA C 13 60.61 0.1 . 1 . . . . 91 GLU CA . 15562 1 996 . 1 1 91 91 GLU CB C 13 29.01 0.1 . 1 . . . . 91 GLU CB . 15562 1 997 . 1 1 91 91 GLU CG C 13 36.23 0.1 . 1 . . . . 91 GLU CG . 15562 1 998 . 1 1 91 91 GLU N N 15 122.83 0.1 . 1 . . . . 91 GLU N . 15562 1 999 . 1 1 92 92 ALA H H 1 8.45 0.02 . 1 . . . . 92 ALA H . 15562 1 1000 . 1 1 92 92 ALA HA H 1 3.97 0.02 . 1 . . . . 92 ALA HA . 15562 1 1001 . 1 1 92 92 ALA HB1 H 1 1.35 0.02 . 1 . . . . 92 ALA HB . 15562 1 1002 . 1 1 92 92 ALA HB2 H 1 1.35 0.02 . 1 . . . . 92 ALA HB . 15562 1 1003 . 1 1 92 92 ALA HB3 H 1 1.35 0.02 . 1 . . . . 92 ALA HB . 15562 1 1004 . 1 1 92 92 ALA C C 13 181.18 0.2 . 1 . . . . 92 ALA C . 15562 1 1005 . 1 1 92 92 ALA CA C 13 54.93 0.1 . 1 . . . . 92 ALA CA . 15562 1 1006 . 1 1 92 92 ALA CB C 13 18.17 0.1 . 1 . . . . 92 ALA CB . 15562 1 1007 . 1 1 92 92 ALA N N 15 119.65 0.1 . 1 . . . . 92 ALA N . 15562 1 1008 . 1 1 93 93 GLU H H 1 7.7 0.02 . 1 . . . . 93 GLU H . 15562 1 1009 . 1 1 93 93 GLU HA H 1 4.01 0.02 . 1 . . . . 93 GLU HA . 15562 1 1010 . 1 1 93 93 GLU HB2 H 1 2.52 0.02 . 2 . . . . 93 GLU HB2 . 15562 1 1011 . 1 1 93 93 GLU HB3 H 1 1.89 0.02 . 2 . . . . 93 GLU HB3 . 15562 1 1012 . 1 1 93 93 GLU HG2 H 1 2.3 0.02 . 2 . . . . 93 GLU HG2 . 15562 1 1013 . 1 1 93 93 GLU C C 13 179.27 0.2 . 1 . . . . 93 GLU C . 15562 1 1014 . 1 1 93 93 GLU CA C 13 59.38 0.1 . 1 . . . . 93 GLU CA . 15562 1 1015 . 1 1 93 93 GLU CB C 13 29.92 0.1 . 1 . . . . 93 GLU CB . 15562 1 1016 . 1 1 93 93 GLU CG C 13 37.94 0.1 . 1 . . . . 93 GLU CG . 15562 1 1017 . 1 1 93 93 GLU N N 15 118.81 0.1 . 1 . . . . 93 GLU N . 15562 1 1018 . 1 1 94 94 ILE H H 1 8.13 0.02 . 1 . . . . 94 ILE H . 15562 1 1019 . 1 1 94 94 ILE HA H 1 3.79 0.02 . 1 . . . . 94 ILE HA . 15562 1 1020 . 1 1 94 94 ILE HB H 1 2.31 0.02 . 1 . . . . 94 ILE HB . 15562 1 1021 . 1 1 94 94 ILE HD11 H 1 0.7 0.02 . 1 . . . . 94 ILE HD1 . 15562 1 1022 . 1 1 94 94 ILE HD12 H 1 0.7 0.02 . 1 . . . . 94 ILE HD1 . 15562 1 1023 . 1 1 94 94 ILE HD13 H 1 0.7 0.02 . 1 . . . . 94 ILE HD1 . 15562 1 1024 . 1 1 94 94 ILE HG12 H 1 1.72 0.02 . 2 . . . . 94 ILE HG12 . 15562 1 1025 . 1 1 94 94 ILE HG13 H 1 1.44 0.02 . 2 . . . . 94 ILE HG13 . 15562 1 1026 . 1 1 94 94 ILE HG21 H 1 0.94 0.02 . 1 . . . . 94 ILE HG2 . 15562 1 1027 . 1 1 94 94 ILE HG22 H 1 0.94 0.02 . 1 . . . . 94 ILE HG2 . 15562 1 1028 . 1 1 94 94 ILE HG23 H 1 0.94 0.02 . 1 . . . . 94 ILE HG2 . 15562 1 1029 . 1 1 94 94 ILE C C 13 177.37 0.2 . 1 . . . . 94 ILE C . 15562 1 1030 . 1 1 94 94 ILE CA C 13 63.27 0.1 . 1 . . . . 94 ILE CA . 15562 1 1031 . 1 1 94 94 ILE CB C 13 35.84 0.1 . 1 . . . . 94 ILE CB . 15562 1 1032 . 1 1 94 94 ILE CD1 C 13 12.59 0.1 . 1 . . . . 94 ILE CD1 . 15562 1 1033 . 1 1 94 94 ILE CG1 C 13 28.98 0.1 . 1 . . . . 94 ILE CG1 . 15562 1 1034 . 1 1 94 94 ILE CG2 C 13 18.08 0.1 . 1 . . . . 94 ILE CG2 . 15562 1 1035 . 1 1 94 94 ILE N N 15 120.22 0.1 . 1 . . . . 94 ILE N . 15562 1 1036 . 1 1 95 95 VAL H H 1 8.35 0.02 . 1 . . . . 95 VAL H . 15562 1 1037 . 1 1 95 95 VAL HA H 1 3.45 0.02 . 1 . . . . 95 VAL HA . 15562 1 1038 . 1 1 95 95 VAL HB H 1 2.1 0.02 . 1 . . . . 95 VAL HB . 15562 1 1039 . 1 1 95 95 VAL HG11 H 1 0.96 0.02 . 1 . . . . 95 VAL HG1 . 15562 1 1040 . 1 1 95 95 VAL HG12 H 1 0.96 0.02 . 1 . . . . 95 VAL HG1 . 15562 1 1041 . 1 1 95 95 VAL HG13 H 1 0.96 0.02 . 1 . . . . 95 VAL HG1 . 15562 1 1042 . 1 1 95 95 VAL HG21 H 1 0.85 0.02 . 1 . . . . 95 VAL HG2 . 15562 1 1043 . 1 1 95 95 VAL HG22 H 1 0.85 0.02 . 1 . . . . 95 VAL HG2 . 15562 1 1044 . 1 1 95 95 VAL HG23 H 1 0.85 0.02 . 1 . . . . 95 VAL HG2 . 15562 1 1045 . 1 1 95 95 VAL C C 13 177.75 0.2 . 1 . . . . 95 VAL C . 15562 1 1046 . 1 1 95 95 VAL CA C 13 67.34 0.1 . 1 . . . . 95 VAL CA . 15562 1 1047 . 1 1 95 95 VAL CB C 13 31.43 0.1 . 1 . . . . 95 VAL CB . 15562 1 1048 . 1 1 95 95 VAL CG1 C 13 23.07 0.1 . 1 . . . . 95 VAL CG1 . 15562 1 1049 . 1 1 95 95 VAL CG2 C 13 20.97 0.1 . 1 . . . . 95 VAL CG2 . 15562 1 1050 . 1 1 95 95 VAL N N 15 121.56 0.1 . 1 . . . . 95 VAL N . 15562 1 1051 . 1 1 96 96 SER H H 1 7.85 0.02 . 1 . . . . 96 SER H . 15562 1 1052 . 1 1 96 96 SER HA H 1 4.19 0.02 . 1 . . . . 96 SER HA . 15562 1 1053 . 1 1 96 96 SER HB2 H 1 3.95 0.02 . 2 . . . . 96 SER HB2 . 15562 1 1054 . 1 1 96 96 SER C C 13 177.94 0.2 . 1 . . . . 96 SER C . 15562 1 1055 . 1 1 96 96 SER CA C 13 61.93 0.1 . 1 . . . . 96 SER CA . 15562 1 1056 . 1 1 96 96 SER N N 15 115.19 0.1 . 1 . . . . 96 SER N . 15562 1 1057 . 1 1 97 97 ILE H H 1 8.06 0.02 . 1 . . . . 97 ILE H . 15562 1 1058 . 1 1 97 97 ILE HA H 1 3.56 0.02 . 1 . . . . 97 ILE HA . 15562 1 1059 . 1 1 97 97 ILE HB H 1 1.79 0.02 . 1 . . . . 97 ILE HB . 15562 1 1060 . 1 1 97 97 ILE HD11 H 1 0.81 0.02 . 1 . . . . 97 ILE HD1 . 15562 1 1061 . 1 1 97 97 ILE HD12 H 1 0.81 0.02 . 1 . . . . 97 ILE HD1 . 15562 1 1062 . 1 1 97 97 ILE HD13 H 1 0.81 0.02 . 1 . . . . 97 ILE HD1 . 15562 1 1063 . 1 1 97 97 ILE HG12 H 1 0.72 0.02 . 2 . . . . 97 ILE HG12 . 15562 1 1064 . 1 1 97 97 ILE HG21 H 1 0.61 0.02 . 1 . . . . 97 ILE HG2 . 15562 1 1065 . 1 1 97 97 ILE HG22 H 1 0.61 0.02 . 1 . . . . 97 ILE HG2 . 15562 1 1066 . 1 1 97 97 ILE HG23 H 1 0.61 0.02 . 1 . . . . 97 ILE HG2 . 15562 1 1067 . 1 1 97 97 ILE C C 13 178.73 0.2 . 1 . . . . 97 ILE C . 15562 1 1068 . 1 1 97 97 ILE CA C 13 65.12 0.1 . 1 . . . . 97 ILE CA . 15562 1 1069 . 1 1 97 97 ILE CB C 13 38.21 0.1 . 1 . . . . 97 ILE CB . 15562 1 1070 . 1 1 97 97 ILE CD1 C 13 14.94 0.1 . 1 . . . . 97 ILE CD1 . 15562 1 1071 . 1 1 97 97 ILE CG1 C 13 28.82 0.1 . 1 . . . . 97 ILE CG1 . 15562 1 1072 . 1 1 97 97 ILE CG2 C 13 18.99 0.1 . 1 . . . . 97 ILE CG2 . 15562 1 1073 . 1 1 97 97 ILE N N 15 123.31 0.1 . 1 . . . . 97 ILE N . 15562 1 1074 . 1 1 98 98 LEU H H 1 8.59 0.02 . 1 . . . . 98 LEU H . 15562 1 1075 . 1 1 98 98 LEU HA H 1 3.7 0.02 . 1 . . . . 98 LEU HA . 15562 1 1076 . 1 1 98 98 LEU HB2 H 1 1.85 0.02 . 2 . . . . 98 LEU HB2 . 15562 1 1077 . 1 1 98 98 LEU HB3 H 1 1.58 0.02 . 2 . . . . 98 LEU HB3 . 15562 1 1078 . 1 1 98 98 LEU HD11 H 1 0.81 0.02 . 1 . . . . 98 LEU HD1 . 15562 1 1079 . 1 1 98 98 LEU HD12 H 1 0.81 0.02 . 1 . . . . 98 LEU HD1 . 15562 1 1080 . 1 1 98 98 LEU HD13 H 1 0.81 0.02 . 1 . . . . 98 LEU HD1 . 15562 1 1081 . 1 1 98 98 LEU HD21 H 1 0.81 0.02 . 1 . . . . 98 LEU HD2 . 15562 1 1082 . 1 1 98 98 LEU HD22 H 1 0.81 0.02 . 1 . . . . 98 LEU HD2 . 15562 1 1083 . 1 1 98 98 LEU HD23 H 1 0.81 0.02 . 1 . . . . 98 LEU HD2 . 15562 1 1084 . 1 1 98 98 LEU HG H 1 1.6 0.02 . 1 . . . . 98 LEU HG . 15562 1 1085 . 1 1 98 98 LEU C C 13 178.94 0.2 . 1 . . . . 98 LEU C . 15562 1 1086 . 1 1 98 98 LEU CA C 13 58.58 0.1 . 1 . . . . 98 LEU CA . 15562 1 1087 . 1 1 98 98 LEU CB C 13 41.92 0.1 . 1 . . . . 98 LEU CB . 15562 1 1088 . 1 1 98 98 LEU CD1 C 13 25.67 0.1 . 1 . . . . 98 LEU CD1 . 15562 1 1089 . 1 1 98 98 LEU CD2 C 13 25.67 0.1 . 1 . . . . 98 LEU CD2 . 15562 1 1090 . 1 1 98 98 LEU CG C 13 27.46 0.1 . 1 . . . . 98 LEU CG . 15562 1 1091 . 1 1 98 98 LEU N N 15 121.55 0.1 . 1 . . . . 98 LEU N . 15562 1 1092 . 1 1 99 99 ASN H H 1 8.43 0.02 . 1 . . . . 99 ASN H . 15562 1 1093 . 1 1 99 99 ASN HA H 1 4.42 0.02 . 1 . . . . 99 ASN HA . 15562 1 1094 . 1 1 99 99 ASN HB2 H 1 2.82 0.02 . 2 . . . . 99 ASN HB2 . 15562 1 1095 . 1 1 99 99 ASN HB3 H 1 2.75 0.02 . 2 . . . . 99 ASN HB3 . 15562 1 1096 . 1 1 99 99 ASN HD21 H 1 7.5 0.02 . 2 . . . . 99 ASN HD21 . 15562 1 1097 . 1 1 99 99 ASN HD22 H 1 6.8 0.02 . 2 . . . . 99 ASN HD22 . 15562 1 1098 . 1 1 99 99 ASN C C 13 177.79 0.2 . 1 . . . . 99 ASN C . 15562 1 1099 . 1 1 99 99 ASN CA C 13 55.55 0.1 . 1 . . . . 99 ASN CA . 15562 1 1100 . 1 1 99 99 ASN CB C 13 37.72 0.1 . 1 . . . . 99 ASN CB . 15562 1 1101 . 1 1 99 99 ASN N N 15 117.37 0.1 . 1 . . . . 99 ASN N . 15562 1 1102 . 1 1 99 99 ASN ND2 N 15 112.13 0.1 . 1 . . . . 99 ASN ND2 . 15562 1 1103 . 1 1 100 100 GLY H H 1 7.92 0.02 . 1 . . . . 100 GLY H . 15562 1 1104 . 1 1 100 100 GLY HA2 H 1 3.86 0.02 . 2 . . . . 100 GLY HA2 . 15562 1 1105 . 1 1 100 100 GLY C C 13 176.2 0.2 . 1 . . . . 100 GLY C . 15562 1 1106 . 1 1 100 100 GLY CA C 13 47.03 0.1 . 1 . . . . 100 GLY CA . 15562 1 1107 . 1 1 100 100 GLY N N 15 108.45 0.1 . 1 . . . . 100 GLY N . 15562 1 1108 . 1 1 101 101 ILE H H 1 7.95 0.02 . 1 . . . . 101 ILE H . 15562 1 1109 . 1 1 101 101 ILE HA H 1 3.76 0.02 . 1 . . . . 101 ILE HA . 15562 1 1110 . 1 1 101 101 ILE HB H 1 1.79 0.02 . 1 . . . . 101 ILE HB . 15562 1 1111 . 1 1 101 101 ILE HD11 H 1 0.63 0.02 . 1 . . . . 101 ILE HD1 . 15562 1 1112 . 1 1 101 101 ILE HD12 H 1 0.63 0.02 . 1 . . . . 101 ILE HD1 . 15562 1 1113 . 1 1 101 101 ILE HD13 H 1 0.63 0.02 . 1 . . . . 101 ILE HD1 . 15562 1 1114 . 1 1 101 101 ILE HG12 H 1 1.47 0.02 . 2 . . . . 101 ILE HG12 . 15562 1 1115 . 1 1 101 101 ILE HG13 H 1 1.05 0.02 . 2 . . . . 101 ILE HG13 . 15562 1 1116 . 1 1 101 101 ILE HG21 H 1 0.77 0.02 . 1 . . . . 101 ILE HG2 . 15562 1 1117 . 1 1 101 101 ILE HG22 H 1 0.77 0.02 . 1 . . . . 101 ILE HG2 . 15562 1 1118 . 1 1 101 101 ILE HG23 H 1 0.77 0.02 . 1 . . . . 101 ILE HG2 . 15562 1 1119 . 1 1 101 101 ILE C C 13 177.63 0.2 . 1 . . . . 101 ILE C . 15562 1 1120 . 1 1 101 101 ILE CA C 13 63.39 0.1 . 1 . . . . 101 ILE CA . 15562 1 1121 . 1 1 101 101 ILE CB C 13 38.11 0.1 . 1 . . . . 101 ILE CB . 15562 1 1122 . 1 1 101 101 ILE CD1 C 13 14.59 0.1 . 1 . . . . 101 ILE CD1 . 15562 1 1123 . 1 1 101 101 ILE CG1 C 13 28.7 0.1 . 1 . . . . 101 ILE CG1 . 15562 1 1124 . 1 1 101 101 ILE CG2 C 13 17.59 0.1 . 1 . . . . 101 ILE CG2 . 15562 1 1125 . 1 1 101 101 ILE N N 15 122.63 0.1 . 1 . . . . 101 ILE N . 15562 1 1126 . 1 1 102 102 ALA H H 1 8.08 0.02 . 1 . . . . 102 ALA H . 15562 1 1127 . 1 1 102 102 ALA HA H 1 4.02 0.02 . 1 . . . . 102 ALA HA . 15562 1 1128 . 1 1 102 102 ALA HB1 H 1 1.38 0.02 . 1 . . . . 102 ALA HB . 15562 1 1129 . 1 1 102 102 ALA HB2 H 1 1.38 0.02 . 1 . . . . 102 ALA HB . 15562 1 1130 . 1 1 102 102 ALA HB3 H 1 1.38 0.02 . 1 . . . . 102 ALA HB . 15562 1 1131 . 1 1 102 102 ALA C C 13 178.91 0.2 . 1 . . . . 102 ALA C . 15562 1 1132 . 1 1 102 102 ALA CA C 13 54.49 0.1 . 1 . . . . 102 ALA CA . 15562 1 1133 . 1 1 102 102 ALA CB C 13 18.72 0.1 . 1 . . . . 102 ALA CB . 15562 1 1134 . 1 1 102 102 ALA N N 15 123 0.1 . 1 . . . . 102 ALA N . 15562 1 1135 . 1 1 103 103 LYS H H 1 7.71 0.02 . 1 . . . . 103 LYS H . 15562 1 1136 . 1 1 103 103 LYS HA H 1 4.1 0.02 . 1 . . . . 103 LYS HA . 15562 1 1137 . 1 1 103 103 LYS HB2 H 1 1.84 0.02 . 2 . . . . 103 LYS HB2 . 15562 1 1138 . 1 1 103 103 LYS HD2 H 1 1.62 0.02 . 2 . . . . 103 LYS HD2 . 15562 1 1139 . 1 1 103 103 LYS HE2 H 1 2.91 0.02 . 2 . . . . 103 LYS HE2 . 15562 1 1140 . 1 1 103 103 LYS HG2 H 1 1.49 0.02 . 2 . . . . 103 LYS HG2 . 15562 1 1141 . 1 1 103 103 LYS HG3 H 1 1.4 0.02 . 2 . . . . 103 LYS HG3 . 15562 1 1142 . 1 1 103 103 LYS C C 13 177.83 0.2 . 1 . . . . 103 LYS C . 15562 1 1143 . 1 1 103 103 LYS CA C 13 57.97 0.1 . 1 . . . . 103 LYS CA . 15562 1 1144 . 1 1 103 103 LYS CB C 13 32.57 0.1 . 1 . . . . 103 LYS CB . 15562 1 1145 . 1 1 103 103 LYS CD C 13 29.24 0.1 . 1 . . . . 103 LYS CD . 15562 1 1146 . 1 1 103 103 LYS CE C 13 42.17 0.1 . 1 . . . . 103 LYS CE . 15562 1 1147 . 1 1 103 103 LYS CG C 13 25.13 0.1 . 1 . . . . 103 LYS CG . 15562 1 1148 . 1 1 103 103 LYS N N 15 117.37 0.1 . 1 . . . . 103 LYS N . 15562 1 1149 . 1 1 104 104 GLN H H 1 7.82 0.02 . 1 . . . . 104 GLN H . 15562 1 1150 . 1 1 104 104 GLN HA H 1 4.16 0.02 . 1 . . . . 104 GLN HA . 15562 1 1151 . 1 1 104 104 GLN HB2 H 1 2.12 0.02 . 2 . . . . 104 GLN HB2 . 15562 1 1152 . 1 1 104 104 GLN HB3 H 1 2.05 0.02 . 2 . . . . 104 GLN HB3 . 15562 1 1153 . 1 1 104 104 GLN HE21 H 1 7.4 0.02 . 2 . . . . 104 GLN HE21 . 15562 1 1154 . 1 1 104 104 GLN HE22 H 1 6.76 0.02 . 2 . . . . 104 GLN HE22 . 15562 1 1155 . 1 1 104 104 GLN HG2 H 1 2.38 0.02 . 2 . . . . 104 GLN HG2 . 15562 1 1156 . 1 1 104 104 GLN HG3 H 1 2.33 0.02 . 2 . . . . 104 GLN HG3 . 15562 1 1157 . 1 1 104 104 GLN C C 13 177.06 0.2 . 1 . . . . 104 GLN C . 15562 1 1158 . 1 1 104 104 GLN CA C 13 57.36 0.1 . 1 . . . . 104 GLN CA . 15562 1 1159 . 1 1 104 104 GLN CB C 13 28.94 0.1 . 1 . . . . 104 GLN CB . 15562 1 1160 . 1 1 104 104 GLN CG C 13 33.87 0.1 . 1 . . . . 104 GLN CG . 15562 1 1161 . 1 1 104 104 GLN N N 15 119.34 0.1 . 1 . . . . 104 GLN N . 15562 1 1162 . 1 1 105 105 GLN H H 1 8.22 0.02 . 1 . . . . 105 GLN H . 15562 1 1163 . 1 1 105 105 GLN HA H 1 4.09 0.02 . 1 . . . . 105 GLN HA . 15562 1 1164 . 1 1 105 105 GLN HB2 H 1 1.84 0.02 . 2 . . . . 105 GLN HB2 . 15562 1 1165 . 1 1 105 105 GLN HG2 H 1 2.15 0.02 . 2 . . . . 105 GLN HG2 . 15562 1 1166 . 1 1 105 105 GLN C C 13 176.43 0.2 . 1 . . . . 105 GLN C . 15562 1 1167 . 1 1 105 105 GLN CA C 13 56.96 0.1 . 1 . . . . 105 GLN CA . 15562 1 1168 . 1 1 105 105 GLN CB C 13 30.11 0.1 . 1 . . . . 105 GLN CB . 15562 1 1169 . 1 1 105 105 GLN CG C 13 36.12 0.1 . 1 . . . . 105 GLN CG . 15562 1 1170 . 1 1 105 105 GLN N N 15 119.76 0.1 . 1 . . . . 105 GLN N . 15562 1 1171 . 1 1 106 106 ASN H H 1 8.27 0.02 . 1 . . . . 106 ASN H . 15562 1 1172 . 1 1 106 106 ASN HA H 1 4.42 0.02 . 1 . . . . 106 ASN HA . 15562 1 1173 . 1 1 106 106 ASN HB2 H 1 2.39 0.02 . 2 . . . . 106 ASN HB2 . 15562 1 1174 . 1 1 106 106 ASN C C 13 175.61 0.2 . 1 . . . . 106 ASN C . 15562 1 1175 . 1 1 106 106 ASN N N 15 119.1 0.1 . 1 . . . . 106 ASN N . 15562 1 1176 . 1 1 107 107 SER H H 1 8.13 0.02 . 1 . . . . 107 SER H . 15562 1 1177 . 1 1 107 107 SER HA H 1 4.37 0.02 . 1 . . . . 107 SER HA . 15562 1 1178 . 1 1 107 107 SER HB2 H 1 3.88 0.02 . 2 . . . . 107 SER HB2 . 15562 1 1179 . 1 1 107 107 SER C C 13 174.81 0.2 . 1 . . . . 107 SER C . 15562 1 1180 . 1 1 107 107 SER CA C 13 59.15 0.1 . 1 . . . . 107 SER CA . 15562 1 1181 . 1 1 107 107 SER CB C 13 63.88 0.1 . 1 . . . . 107 SER CB . 15562 1 1182 . 1 1 107 107 SER N N 15 115.7 0.1 . 1 . . . . 107 SER N . 15562 1 1183 . 1 1 108 108 GLN H H 1 8.27 0.02 . 1 . . . . 108 GLN H . 15562 1 1184 . 1 1 108 108 GLN HA H 1 4.26 0.02 . 1 . . . . 108 GLN HA . 15562 1 1185 . 1 1 108 108 GLN HB2 H 1 2.09 0.02 . 2 . . . . 108 GLN HB2 . 15562 1 1186 . 1 1 108 108 GLN HB3 H 1 1.97 0.02 . 2 . . . . 108 GLN HB3 . 15562 1 1187 . 1 1 108 108 GLN HG2 H 1 2.32 0.02 . 2 . . . . 108 GLN HG2 . 15562 1 1188 . 1 1 108 108 GLN C C 13 175.93 0.2 . 1 . . . . 108 GLN C . 15562 1 1189 . 1 1 108 108 GLN CA C 13 56.42 0.1 . 1 . . . . 108 GLN CA . 15562 1 1190 . 1 1 108 108 GLN CB C 13 28.98 0.1 . 1 . . . . 108 GLN CB . 15562 1 1191 . 1 1 108 108 GLN CG C 13 33.77 0.1 . 1 . . . . 108 GLN CG . 15562 1 1192 . 1 1 108 108 GLN N N 15 121.24 0.1 . 1 . . . . 108 GLN N . 15562 1 1193 . 1 1 109 109 ASN H H 1 8.28 0.02 . 1 . . . . 109 ASN H . 15562 1 1194 . 1 1 109 109 ASN HA H 1 4.62 0.02 . 1 . . . . 109 ASN HA . 15562 1 1195 . 1 1 109 109 ASN HB2 H 1 2.79 0.02 . 2 . . . . 109 ASN HB2 . 15562 1 1196 . 1 1 109 109 ASN HD21 H 1 7.56 0.02 . 2 . . . . 109 ASN HD21 . 15562 1 1197 . 1 1 109 109 ASN HD22 H 1 6.88 0.02 . 2 . . . . 109 ASN HD22 . 15562 1 1198 . 1 1 109 109 ASN C C 13 175.1 0.2 . 1 . . . . 109 ASN C . 15562 1 1199 . 1 1 109 109 ASN CA C 13 53.49 0.1 . 1 . . . . 109 ASN CA . 15562 1 1200 . 1 1 109 109 ASN CB C 13 38.82 0.1 . 1 . . . . 109 ASN CB . 15562 1 1201 . 1 1 109 109 ASN N N 15 118.71 0.1 . 1 . . . . 109 ASN N . 15562 1 1202 . 1 1 109 109 ASN ND2 N 15 112.57 0.1 . 1 . . . . 109 ASN ND2 . 15562 1 1203 . 1 1 110 110 ASN H H 1 8.31 0.02 . 1 . . . . 110 ASN H . 15562 1 1204 . 1 1 110 110 ASN HA H 1 4.68 0.02 . 1 . . . . 110 ASN HA . 15562 1 1205 . 1 1 110 110 ASN HB2 H 1 2.75 0.02 . 2 . . . . 110 ASN HB2 . 15562 1 1206 . 1 1 110 110 ASN HB3 H 1 2.73 0.02 . 2 . . . . 110 ASN HB3 . 15562 1 1207 . 1 1 110 110 ASN C C 13 175.42 0.2 . 1 . . . . 110 ASN C . 15562 1 1208 . 1 1 110 110 ASN CA C 13 53.46 0.1 . 1 . . . . 110 ASN CA . 15562 1 1209 . 1 1 110 110 ASN CB C 13 38.98 0.1 . 1 . . . . 110 ASN CB . 15562 1 1210 . 1 1 110 110 ASN N N 15 119.27 0.1 . 1 . . . . 110 ASN N . 15562 1 1211 . 1 1 111 111 SER H H 1 8.19 0.02 . 1 . . . . 111 SER H . 15562 1 1212 . 1 1 111 111 SER HA H 1 4.36 0.02 . 1 . . . . 111 SER HA . 15562 1 1213 . 1 1 111 111 SER HB2 H 1 3.83 0.02 . 2 . . . . 111 SER HB2 . 15562 1 1214 . 1 1 111 111 SER C C 13 174.51 0.2 . 1 . . . . 111 SER C . 15562 1 1215 . 1 1 111 111 SER CA C 13 59.15 0.1 . 1 . . . . 111 SER CA . 15562 1 1216 . 1 1 111 111 SER CB C 13 63.85 0.1 . 1 . . . . 111 SER CB . 15562 1 1217 . 1 1 111 111 SER N N 15 116.3 0.1 . 1 . . . . 111 SER N . 15562 1 1218 . 1 1 112 112 LYS H H 1 8.18 0.02 . 1 . . . . 112 LYS H . 15562 1 1219 . 1 1 112 112 LYS HA H 1 4.25 0.02 . 1 . . . . 112 LYS HA . 15562 1 1220 . 1 1 112 112 LYS HB2 H 1 1.8 0.02 . 2 . . . . 112 LYS HB2 . 15562 1 1221 . 1 1 112 112 LYS HB3 H 1 1.75 0.02 . 2 . . . . 112 LYS HB3 . 15562 1 1222 . 1 1 112 112 LYS HD2 H 1 1.61 0.02 . 2 . . . . 112 LYS HD2 . 15562 1 1223 . 1 1 112 112 LYS HE2 H 1 2.92 0.02 . 2 . . . . 112 LYS HE2 . 15562 1 1224 . 1 1 112 112 LYS HG2 H 1 1.35 0.02 . 2 . . . . 112 LYS HG2 . 15562 1 1225 . 1 1 112 112 LYS C C 13 176.37 0.2 . 1 . . . . 112 LYS C . 15562 1 1226 . 1 1 112 112 LYS CA C 13 56.77 0.1 . 1 . . . . 112 LYS CA . 15562 1 1227 . 1 1 112 112 LYS CB C 13 32.86 0.1 . 1 . . . . 112 LYS CB . 15562 1 1228 . 1 1 112 112 LYS CD C 13 29.14 0.1 . 1 . . . . 112 LYS CD . 15562 1 1229 . 1 1 112 112 LYS CE C 13 42.21 0.1 . 1 . . . . 112 LYS CE . 15562 1 1230 . 1 1 112 112 LYS CG C 13 24.9 0.1 . 1 . . . . 112 LYS CG . 15562 1 1231 . 1 1 112 112 LYS N N 15 122.87 0.1 . 1 . . . . 112 LYS N . 15562 1 1232 . 1 1 113 113 ILE H H 1 7.95 0.02 . 1 . . . . 113 ILE H . 15562 1 1233 . 1 1 113 113 ILE HA H 1 3.98 0.02 . 1 . . . . 113 ILE HA . 15562 1 1234 . 1 1 113 113 ILE HB H 1 1.7 0.02 . 1 . . . . 113 ILE HB . 15562 1 1235 . 1 1 113 113 ILE HD11 H 1 0.74 0.02 . 1 . . . . 113 ILE HD1 . 15562 1 1236 . 1 1 113 113 ILE HD12 H 1 0.74 0.02 . 1 . . . . 113 ILE HD1 . 15562 1 1237 . 1 1 113 113 ILE HD13 H 1 0.74 0.02 . 1 . . . . 113 ILE HD1 . 15562 1 1238 . 1 1 113 113 ILE HG12 H 1 1.38 0.02 . 2 . . . . 113 ILE HG12 . 15562 1 1239 . 1 1 113 113 ILE HG13 H 1 1.05 0.02 . 2 . . . . 113 ILE HG13 . 15562 1 1240 . 1 1 113 113 ILE HG21 H 1 0.66 0.02 . 1 . . . . 113 ILE HG2 . 15562 1 1241 . 1 1 113 113 ILE HG22 H 1 0.66 0.02 . 1 . . . . 113 ILE HG2 . 15562 1 1242 . 1 1 113 113 ILE HG23 H 1 0.66 0.02 . 1 . . . . 113 ILE HG2 . 15562 1 1243 . 1 1 113 113 ILE C C 13 176.02 0.2 . 1 . . . . 113 ILE C . 15562 1 1244 . 1 1 113 113 ILE CA C 13 61.56 0.1 . 1 . . . . 113 ILE CA . 15562 1 1245 . 1 1 113 113 ILE CB C 13 38.32 0.1 . 1 . . . . 113 ILE CB . 15562 1 1246 . 1 1 113 113 ILE CD1 C 13 13.38 0.1 . 1 . . . . 113 ILE CD1 . 15562 1 1247 . 1 1 113 113 ILE CG1 C 13 27.46 0.1 . 1 . . . . 113 ILE CG1 . 15562 1 1248 . 1 1 113 113 ILE CG2 C 13 18.07 0.1 . 1 . . . . 113 ILE CG2 . 15562 1 1249 . 1 1 113 113 ILE N N 15 121.73 0.1 . 1 . . . . 113 ILE N . 15562 1 1250 . 1 1 114 114 ILE H H 1 8.03 0.02 . 1 . . . . 114 ILE H . 15562 1 1251 . 1 1 114 114 ILE HA H 1 4.06 0.02 . 1 . . . . 114 ILE HA . 15562 1 1252 . 1 1 114 114 ILE HB H 1 1.71 0.02 . 1 . . . . 114 ILE HB . 15562 1 1253 . 1 1 114 114 ILE HD11 H 1 0.73 0.02 . 1 . . . . 114 ILE HD1 . 15562 1 1254 . 1 1 114 114 ILE HD12 H 1 0.73 0.02 . 1 . . . . 114 ILE HD1 . 15562 1 1255 . 1 1 114 114 ILE HD13 H 1 0.73 0.02 . 1 . . . . 114 ILE HD1 . 15562 1 1256 . 1 1 114 114 ILE HG12 H 1 1.36 0.02 . 2 . . . . 114 ILE HG12 . 15562 1 1257 . 1 1 114 114 ILE HG13 H 1 1.05 0.02 . 2 . . . . 114 ILE HG13 . 15562 1 1258 . 1 1 114 114 ILE HG21 H 1 0.72 0.02 . 1 . . . . 114 ILE HG2 . 15562 1 1259 . 1 1 114 114 ILE HG22 H 1 0.72 0.02 . 1 . . . . 114 ILE HG2 . 15562 1 1260 . 1 1 114 114 ILE HG23 H 1 0.72 0.02 . 1 . . . . 114 ILE HG2 . 15562 1 1261 . 1 1 114 114 ILE C C 13 175.94 0.2 . 1 . . . . 114 ILE C . 15562 1 1262 . 1 1 114 114 ILE CA C 13 61.08 0.1 . 1 . . . . 114 ILE CA . 15562 1 1263 . 1 1 114 114 ILE CB C 13 38.47 0.1 . 1 . . . . 114 ILE CB . 15562 1 1264 . 1 1 114 114 ILE CD1 C 13 13.05 0.1 . 1 . . . . 114 ILE CD1 . 15562 1 1265 . 1 1 114 114 ILE CG1 C 13 27.27 0.1 . 1 . . . . 114 ILE CG1 . 15562 1 1266 . 1 1 114 114 ILE CG2 C 13 17.79 0.1 . 1 . . . . 114 ILE CG2 . 15562 1 1267 . 1 1 114 114 ILE N N 15 124.77 0.1 . 1 . . . . 114 ILE N . 15562 1 1268 . 1 1 115 115 PHE H H 1 8.21 0.02 . 1 . . . . 115 PHE H . 15562 1 1269 . 1 1 115 115 PHE HA H 1 4.5 0.02 . 1 . . . . 115 PHE HA . 15562 1 1270 . 1 1 115 115 PHE HB2 H 1 3.01 0.02 . 2 . . . . 115 PHE HB2 . 15562 1 1271 . 1 1 115 115 PHE HB3 H 1 2.96 0.02 . 2 . . . . 115 PHE HB3 . 15562 1 1272 . 1 1 115 115 PHE HD1 H 1 7.15 0.02 . 1 . . . . 115 PHE HD1 . 15562 1 1273 . 1 1 115 115 PHE HD2 H 1 7.15 0.02 . 1 . . . . 115 PHE HD2 . 15562 1 1274 . 1 1 115 115 PHE C C 13 175.64 0.2 . 1 . . . . 115 PHE C . 15562 1 1275 . 1 1 115 115 PHE CA C 13 58.14 0.1 . 1 . . . . 115 PHE CA . 15562 1 1276 . 1 1 115 115 PHE CB C 13 39.68 0.1 . 1 . . . . 115 PHE CB . 15562 1 1277 . 1 1 115 115 PHE N N 15 124.4 0.1 . 1 . . . . 115 PHE N . 15562 1 1278 . 1 1 116 116 GLU H H 1 8.31 0.02 . 1 . . . . 116 GLU H . 15562 1 1279 . 1 1 116 116 GLU HA H 1 4.18 0.02 . 1 . . . . 116 GLU HA . 15562 1 1280 . 1 1 116 116 GLU HB2 H 1 1.98 0.02 . 2 . . . . 116 GLU HB2 . 15562 1 1281 . 1 1 116 116 GLU HB3 H 1 1.87 0.02 . 2 . . . . 116 GLU HB3 . 15562 1 1282 . 1 1 116 116 GLU HG2 H 1 2.19 0.02 . 2 . . . . 116 GLU HG2 . 15562 1 1283 . 1 1 116 116 GLU C C 13 176.12 0.2 . 1 . . . . 116 GLU C . 15562 1 1284 . 1 1 116 116 GLU CA C 13 56.75 0.1 . 1 . . . . 116 GLU CA . 15562 1 1285 . 1 1 116 116 GLU CB C 13 30.36 0.1 . 1 . . . . 116 GLU CB . 15562 1 1286 . 1 1 116 116 GLU CG C 13 36.29 0.1 . 1 . . . . 116 GLU CG . 15562 1 1287 . 1 1 116 116 GLU N N 15 122.83 0.1 . 1 . . . . 116 GLU N . 15562 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constant_list_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constant_list_1 _Coupling_constant_list.Entry_ID 15562 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_conditions_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JCC(i+1) . 1 1 1 1 MET C C 13 . . 1 1 2 2 ASP C C 13 . 3 . . . . . . 1 MET C . 2 ASP C . 15562 1 2 3JCC(i+1) . 1 1 3 3 PRO C C 13 . . 1 1 4 4 GLU C C 13 . 4.8 . . . . . . 3 PRO C . 4 GLU C . 15562 1 3 3JCC(i+1) . 1 1 4 4 GLU C C 13 . . 1 1 5 5 LEU C C 13 . 4.8 . . . . . . 4 GLU C . 5 LEU C . 15562 1 4 3JCC(i+1) . 1 1 5 5 LEU C C 13 . . 1 1 6 6 GLN C C 13 . 3.6 . . . . . . 5 LEU C . 6 GLN C . 15562 1 5 3JCC(i+1) . 1 1 6 6 GLN C C 13 . . 1 1 7 7 ALA C C 13 . 4.8 . . . . . . 6 GLN C . 7 ALA C . 15562 1 6 3JCC(i+1) . 1 1 7 7 ALA C C 13 . . 1 1 8 8 ILE C C 13 . 4.8 . . . . . . 7 ALA C . 8 ILE C . 15562 1 7 3JCC(i+1) . 1 1 8 8 ILE C C 13 . . 1 1 9 9 ARG C C 13 . 4.2 . . . . . . 8 ILE C . 9 ARG C . 15562 1 8 3JCC(i+1) . 1 1 9 9 ARG C C 13 . . 1 1 10 10 GLU C C 13 . 3 . . . . . . 9 ARG C . 10 GLU C . 15562 1 9 3JCC(i+1) . 1 1 10 10 GLU C C 13 . . 1 1 11 11 ALA C C 13 . 3.6 . . . . . . 10 GLU C . 11 ALA C . 15562 1 10 3JCC(i+1) . 1 1 11 11 ALA C C 13 . . 1 1 12 12 ARG C C 13 . 4.8 . . . . . . 11 ALA C . 12 ARG C . 15562 1 11 3JCC(i+1) . 1 1 13 13 LEU C C 13 . . 1 1 14 14 ALA C C 13 . 3.6 . . . . . . 13 LEU C . 14 ALA C . 15562 1 12 3JCC(i+1) . 1 1 14 14 ALA C C 13 . . 1 1 15 15 GLN C C 13 . 5.4 . . . . . . 14 ALA C . 15 GLN C . 15562 1 13 3JCC(i+1) . 1 1 15 15 GLN C C 13 . . 1 1 16 16 LEU C C 13 . 4.8 . . . . . . 15 GLN C . 16 LEU C . 15562 1 14 3JCC(i+1) . 1 1 17 17 LYS C C 13 . . 1 1 18 18 ASN C C 13 . 5.4 . . . . . . 17 LYS C . 18 ASN C . 15562 1 15 3JCC(i+1) . 1 1 22 22 GLY C C 13 . . 1 1 23 23 THR C C 13 . 7.2 . . . . . . 22 GLY C . 23 THR C . 15562 1 16 3JCC(i+1) . 1 1 23 23 THR C C 13 . . 1 1 24 24 ASN C C 13 . 6.6 . . . . . . 23 THR C . 24 ASN C . 15562 1 17 3JCC(i+1) . 1 1 25 25 GLY C C 13 . . 1 1 26 26 ASP C C 13 . 6.6 . . . . . . 25 GLY C . 26 ASP C . 15562 1 18 3JCC(i+1) . 1 1 26 26 ASP C C 13 . . 1 1 27 27 ARG C C 13 . 6.6 . . . . . . 26 ASP C . 27 ARG C . 15562 1 19 3JCC(i+1) . 1 1 27 27 ARG C C 13 . . 1 1 28 28 ASN C C 13 . 7.2 . . . . . . 27 ARG C . 28 ASN C . 15562 1 20 3JCC(i+1) . 1 1 28 28 ASN C C 13 . . 1 1 29 29 SER C C 13 . 6 . . . . . . 28 ASN C . 29 SER C . 15562 1 21 3JCC(i+1) . 1 1 31 31 ALA C C 13 . . 1 1 32 32 ASN C C 13 . 7.2 . . . . . . 31 ALA C . 32 ASN C . 15562 1 22 3JCC(i+1) . 1 1 32 32 ASN C C 13 . . 1 1 33 33 ASN C C 13 . 6.6 . . . . . . 32 ASN C . 33 ASN C . 15562 1 23 3JCC(i+1) . 1 1 36 36 GLY C C 13 . . 1 1 37 37 GLU C C 13 . 5.4 . . . . . . 36 GLY C . 37 GLU C . 15562 1 24 3JCC(i+1) . 1 1 37 37 GLU C C 13 . . 1 1 38 38 ASN C C 13 . 6.6 . . . . . . 37 GLU C . 38 ASN C . 15562 1 25 3JCC(i+1) . 1 1 39 39 SER C C 13 . . 1 1 40 40 ALA C C 13 . 3 . . . . . . 39 SER C . 40 ALA C . 15562 1 26 3JCC(i+1) . 1 1 43 43 GLY C C 13 . . 1 1 44 44 ALA C C 13 . 2.4 . . . . . . 43 GLY C . 44 ALA C . 15562 1 27 3JCC(i+1) . 1 1 44 44 ALA C C 13 . . 1 1 45 45 ALA C C 13 . 3 . . . . . . 44 ALA C . 45 ALA C . 15562 1 28 3JCC(i+1) . 1 1 45 45 ALA C C 13 . . 1 1 46 46 ILE C C 13 . 4.2 . . . . . . 45 ALA C . 46 ILE C . 15562 1 29 3JCC(i+1) . 1 1 46 46 ILE C C 13 . . 1 1 47 47 ALA C C 13 . 1.8 . . . . . . 46 ILE C . 47 ALA C . 15562 1 30 3JCC(i+1) . 1 1 47 47 ALA C C 13 . . 1 1 48 48 ASN C C 13 . 3.6 . . . . . . 47 ALA C . 48 ASN C . 15562 1 31 3JCC(i+1) . 1 1 49 49 PHE C C 13 . . 1 1 50 50 LEU C C 13 . 4.2 . . . . . . 49 PHE C . 50 LEU C . 15562 1 32 3JCC(i+1) . 1 1 50 50 LEU C C 13 . . 1 1 51 51 GLU C C 13 . 3 . . . . . . 50 LEU C . 51 GLU C . 15562 1 33 3JCC(i+1) . 1 1 52 52 PRO C C 13 . . 1 1 53 53 GLN C C 13 . 2.4 . . . . . . 52 PRO C . 53 GLN C . 15562 1 34 3JCC(i+1) . 1 1 53 53 GLN C C 13 . . 1 1 54 54 ALA C C 13 . 3 . . . . . . 53 GLN C . 54 ALA C . 15562 1 35 3JCC(i+1) . 1 1 59 59 SER C C 13 . . 1 1 60 60 ARG C C 13 . 0.6 . . . . . . 59 SER C . 60 ARG C . 15562 1 36 3JCC(i+1) . 1 1 60 60 ARG C C 13 . . 1 1 61 61 VAL C C 13 . 2.4 . . . . . . 60 ARG C . 61 VAL C . 15562 1 37 3JCC(i+1) . 1 1 62 62 ALA C C 13 . . 1 1 63 63 LEU C C 13 . 3 . . . . . . 62 ALA C . 63 LEU C . 15562 1 38 3JCC(i+1) . 1 1 64 64 VAL C C 13 . . 1 1 65 65 ARG C C 13 . 3 . . . . . . 64 VAL C . 65 ARG C . 15562 1 39 3JCC(i+1) . 1 1 66 66 ARG C C 13 . . 1 1 67 67 ASP C C 13 . 1.8 . . . . . . 66 ARG C . 67 ASP C . 15562 1 40 3JCC(i+1) . 1 1 81 81 ALA C C 13 . . 1 1 82 82 THR C C 13 . 6.6 . . . . . . 81 ALA C . 82 THR C . 15562 1 41 3JCC(i+1) . 1 1 82 82 THR C C 13 . . 1 1 83 83 ASN C C 13 . 4.2 . . . . . . 82 THR C . 83 ASN C . 15562 1 42 3JCC(i+1) . 1 1 84 84 ASN C C 13 . . 1 1 85 85 VAL C C 13 . 4.8 . . . . . . 84 ASN C . 85 VAL C . 15562 1 43 3JCC(i+1) . 1 1 86 86 THR C C 13 . . 1 1 87 87 HIS C C 13 . 3.6 . . . . . . 86 THR C . 87 HIS C . 15562 1 44 3JCC(i+1) . 1 1 87 87 HIS C C 13 . . 1 1 88 88 LYS C C 13 . 3.6 . . . . . . 87 HIS C . 88 LYS C . 15562 1 45 3JCC(i+1) . 1 1 88 88 LYS C C 13 . . 1 1 89 89 ILE C C 13 . 2.4 . . . . . . 88 LYS C . 89 ILE C . 15562 1 46 3JCC(i+1) . 1 1 89 89 ILE C C 13 . . 1 1 90 90 THR C C 13 . 3 . . . . . . 89 ILE C . 90 THR C . 15562 1 47 3JCC(i+1) . 1 1 90 90 THR C C 13 . . 1 1 91 91 GLU C C 13 . 1.2 . . . . . . 90 THR C . 91 GLU C . 15562 1 48 3JCC(i+1) . 1 1 102 102 ALA C C 13 . . 1 1 103 103 LYS C C 13 . 3.6 . . . . . . 102 ALA C . 103 LYS C . 15562 1 49 3JCC(i+1) . 1 1 103 103 LYS C C 13 . . 1 1 104 104 GLN C C 13 . 2.4 . . . . . . 103 LYS C . 104 GLN C . 15562 1 50 3JCC(i+1) . 1 1 104 104 GLN C C 13 . . 1 1 105 105 GLN C C 13 . 3.6 . . . . . . 104 GLN C . 105 GLN C . 15562 1 51 3JCC(i+1) . 1 1 107 107 SER C C 13 . . 1 1 108 108 GLN C C 13 . 6 . . . . . . 107 SER C . 108 GLN C . 15562 1 52 3JCC(i+1) . 1 1 108 108 GLN C C 13 . . 1 1 109 109 ASN C C 13 . 6 . . . . . . 108 GLN C . 109 ASN C . 15562 1 53 3JCC(i+1) . 1 1 109 109 ASN C C 13 . . 1 1 110 110 ASN C C 13 . 5.4 . . . . . . 109 ASN C . 110 ASN C . 15562 1 54 3JCC(i+1) . 1 1 110 110 ASN C C 13 . . 1 1 111 111 SER C C 13 . 6 . . . . . . 110 ASN C . 111 SER C . 15562 1 55 3JCC(i+1) . 1 1 111 111 SER C C 13 . . 1 1 112 112 LYS C C 13 . 5.4 . . . . . . 111 SER C . 112 LYS C . 15562 1 56 3JCC(i+1) . 1 1 112 112 LYS C C 13 . . 1 1 113 113 ILE C C 13 . 5.4 . . . . . . 112 LYS C . 113 ILE C . 15562 1 57 3JCC(i+1) . 1 1 113 113 ILE C C 13 . . 1 1 114 114 ILE C C 13 . 5.4 . . . . . . 113 ILE C . 114 ILE C . 15562 1 58 3JCC(i+1) . 1 1 114 114 ILE C C 13 . . 1 1 115 115 PHE C C 13 . 4.8 . . . . . . 114 ILE C . 115 PHE C . 15562 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15562 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 500.13 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'Protein sample was weakly aligned in a 7% polyacrylamide gel' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 3 '2D 1H-15N IPAP HSQC' . . . 15562 1 4 '2D 1H-15N IPAP HSQC' . . . 15562 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $NMRPipe . . 15562 1 2 $SPARKY . . 15562 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 4 4 GLU H H 1 . . 1 1 4 4 GLU N N 15 . -5.68 . . . . . . . . . . . . . . 15562 1 2 DNH . 1 1 5 5 LEU H H 1 . . 1 1 5 5 LEU N N 15 . -4.21 . . . . . . . . . . . . . . 15562 1 3 DNH . 1 1 6 6 GLN H H 1 . . 1 1 6 6 GLN N N 15 . -9.33 . . . . . . . . . . . . . . 15562 1 4 DNH . 1 1 8 8 ILE H H 1 . . 1 1 8 8 ILE N N 15 . -10.99 . . . . . . . . . . . . . . 15562 1 5 DNH . 1 1 9 9 ARG H H 1 . . 1 1 9 9 ARG N N 15 . -10.04 . . . . . . . . . . . . . . 15562 1 6 DNH . 1 1 10 10 GLU H H 1 . . 1 1 10 10 GLU N N 15 . -11.45 . . . . . . . . . . . . . . 15562 1 7 DNH . 1 1 11 11 ALA H H 1 . . 1 1 11 11 ALA N N 15 . -12.87 . . . . . . . . . . . . . . 15562 1 8 DNH . 1 1 12 12 ARG H H 1 . . 1 1 12 12 ARG N N 15 . -9.83 . . . . . . . . . . . . . . 15562 1 9 DNH . 1 1 13 13 LEU H H 1 . . 1 1 13 13 LEU N N 15 . -16.12 . . . . . . . . . . . . . . 15562 1 10 DNH . 1 1 14 14 ALA H H 1 . . 1 1 14 14 ALA N N 15 . -11.35 . . . . . . . . . . . . . . 15562 1 11 DNH . 1 1 15 15 GLN H H 1 . . 1 1 15 15 GLN N N 15 . -7.86 . . . . . . . . . . . . . . 15562 1 12 DNH . 1 1 16 16 LEU H H 1 . . 1 1 16 16 LEU N N 15 . -6.04 . . . . . . . . . . . . . . 15562 1 13 DNH . 1 1 18 18 ASN H H 1 . . 1 1 18 18 ASN N N 15 . -1.52 . . . . . . . . . . . . . . 15562 1 14 DNH . 1 1 19 19 ASN H H 1 . . 1 1 19 19 ASN N N 15 . -1.37 . . . . . . . . . . . . . . 15562 1 15 DNH . 1 1 22 22 GLY H H 1 . . 1 1 22 22 GLY N N 15 . 0.41 . . . . . . . . . . . . . . 15562 1 16 DNH . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR N N 15 . 3.3 . . . . . . . . . . . . . . 15562 1 17 DNH . 1 1 25 25 GLY H H 1 . . 1 1 25 25 GLY N N 15 . 0.82 . . . . . . . . . . . . . . 15562 1 18 DNH . 1 1 26 26 ASP H H 1 . . 1 1 26 26 ASP N N 15 . 2.65 . . . . . . . . . . . . . . 15562 1 19 DNH . 1 1 27 27 ARG H H 1 . . 1 1 27 27 ARG N N 15 . 1.53 . . . . . . . . . . . . . . 15562 1 20 DNH . 1 1 28 28 ASN H H 1 . . 1 1 28 28 ASN N N 15 . 1.93 . . . . . . . . . . . . . . 15562 1 21 DNH . 1 1 29 29 SER H H 1 . . 1 1 29 29 SER N N 15 . 1.51 . . . . . . . . . . . . . . 15562 1 22 DNH . 1 1 30 30 GLY H H 1 . . 1 1 30 30 GLY N N 15 . 1.67 . . . . . . . . . . . . . . 15562 1 23 DNH . 1 1 32 32 ASN H H 1 . . 1 1 32 32 ASN N N 15 . 1.88 . . . . . . . . . . . . . . 15562 1 24 DNH . 1 1 34 34 GLY H H 1 . . 1 1 34 34 GLY N N 15 . 0.76 . . . . . . . . . . . . . . 15562 1 25 DNH . 1 1 35 35 GLY H H 1 . . 1 1 35 35 GLY N N 15 . 1.78 . . . . . . . . . . . . . . 15562 1 26 DNH . 1 1 37 37 GLU H H 1 . . 1 1 37 37 GLU N N 15 . 1.57 . . . . . . . . . . . . . . 15562 1 27 DNH . 1 1 38 38 ASN H H 1 . . 1 1 38 38 ASN N N 15 . 5.32 . . . . . . . . . . . . . . 15562 1 28 DNH . 1 1 40 40 ALA H H 1 . . 1 1 40 40 ALA N N 15 . 9.32 . . . . . . . . . . . . . . 15562 1 29 DNH . 1 1 42 42 VAL H H 1 . . 1 1 42 42 VAL N N 15 . 13.28 . . . . . . . . . . . . . . 15562 1 30 DNH . 1 1 43 43 GLY H H 1 . . 1 1 43 43 GLY N N 15 . 2.99 . . . . . . . . . . . . . . 15562 1 31 DNH . 1 1 44 44 ALA H H 1 . . 1 1 44 44 ALA N N 15 . -3.85 . . . . . . . . . . . . . . 15562 1 32 DNH . 1 1 45 45 ALA H H 1 . . 1 1 45 45 ALA N N 15 . -0.3 . . . . . . . . . . . . . . 15562 1 33 DNH . 1 1 46 46 ILE H H 1 . . 1 1 46 46 ILE N N 15 . 12.46 . . . . . . . . . . . . . . 15562 1 34 DNH . 1 1 47 47 ALA H H 1 . . 1 1 47 47 ALA N N 15 . -7.2 . . . . . . . . . . . . . . 15562 1 35 DNH . 1 1 48 48 ASN H H 1 . . 1 1 48 48 ASN N N 15 . 6.58 . . . . . . . . . . . . . . 15562 1 36 DNH . 1 1 50 50 LEU H H 1 . . 1 1 50 50 LEU N N 15 . -12.67 . . . . . . . . . . . . . . 15562 1 37 DNH . 1 1 51 51 GLU H H 1 . . 1 1 51 51 GLU N N 15 . -15.26 . . . . . . . . . . . . . . 15562 1 38 DNH . 1 1 53 53 GLN H H 1 . . 1 1 53 53 GLN N N 15 . -4.5 . . . . . . . . . . . . . . 15562 1 39 DNH . 1 1 54 54 ALA H H 1 . . 1 1 54 54 ALA N N 15 . 0.11 . . . . . . . . . . . . . . 15562 1 40 DNH . 1 1 58 58 LEU H H 1 . . 1 1 58 58 LEU N N 15 . -2.59 . . . . . . . . . . . . . . 15562 1 41 DNH . 1 1 59 59 SER H H 1 . . 1 1 59 59 SER N N 15 . -5.99 . . . . . . . . . . . . . . 15562 1 42 DNH . 1 1 61 61 VAL H H 1 . . 1 1 61 61 VAL N N 15 . 0.96 . . . . . . . . . . . . . . 15562 1 43 DNH . 1 1 62 62 ALA H H 1 . . 1 1 62 62 ALA N N 15 . -5.06 . . . . . . . . . . . . . . 15562 1 44 DNH . 1 1 63 63 LEU H H 1 . . 1 1 63 63 LEU N N 15 . -3.5 . . . . . . . . . . . . . . 15562 1 45 DNH . 1 1 64 64 VAL H H 1 . . 1 1 64 64 VAL N N 15 . -0.1 . . . . . . . . . . . . . . 15562 1 46 DNH . 1 1 65 65 ARG H H 1 . . 1 1 65 65 ARG N N 15 . -6.59 . . . . . . . . . . . . . . 15562 1 47 DNH . 1 1 66 66 ARG H H 1 . . 1 1 66 66 ARG N N 15 . 2.63 . . . . . . . . . . . . . . 15562 1 48 DNH . 1 1 67 67 ASP H H 1 . . 1 1 67 67 ASP N N 15 . 11.51 . . . . . . . . . . . . . . 15562 1 49 DNH . 1 1 68 68 ARG H H 1 . . 1 1 68 68 ARG N N 15 . 13.59 . . . . . . . . . . . . . . 15562 1 50 DNH . 1 1 69 69 ALA H H 1 . . 1 1 69 69 ALA N N 15 . 4.61 . . . . . . . . . . . . . . 15562 1 51 DNH . 1 1 70 70 GLN H H 1 . . 1 1 70 70 GLN N N 15 . 3.14 . . . . . . . . . . . . . . 15562 1 52 DNH . 1 1 71 71 ALA H H 1 . . 1 1 71 71 ALA N N 15 . 14.59 . . . . . . . . . . . . . . 15562 1 53 DNH . 1 1 72 72 VAL H H 1 . . 1 1 72 72 VAL N N 15 . 14.45 . . . . . . . . . . . . . . 15562 1 54 DNH . 1 1 73 73 GLU H H 1 . . 1 1 73 73 GLU N N 15 . 5.94 . . . . . . . . . . . . . . 15562 1 55 DNH . 1 1 74 74 THR H H 1 . . 1 1 74 74 THR N N 15 . 8.81 . . . . . . . . . . . . . . 15562 1 56 DNH . 1 1 76 76 LEU H H 1 . . 1 1 76 76 LEU N N 15 . 6.54 . . . . . . . . . . . . . . 15562 1 57 DNH . 1 1 78 78 LYS H H 1 . . 1 1 78 78 LYS N N 15 . 12.31 . . . . . . . . . . . . . . 15562 1 58 DNH . 1 1 79 79 LEU H H 1 . . 1 1 79 79 LEU N N 15 . 14.84 . . . . . . . . . . . . . . 15562 1 59 DNH . 1 1 81 81 ALA H H 1 . . 1 1 81 81 ALA N N 15 . 2.18 . . . . . . . . . . . . . . 15562 1 60 DNH . 1 1 82 82 THR H H 1 . . 1 1 82 82 THR N N 15 . 18.14 . . . . . . . . . . . . . . 15562 1 61 DNH . 1 1 83 83 ASN H H 1 . . 1 1 83 83 ASN N N 15 . -3.39 . . . . . . . . . . . . . . 15562 1 62 DNH . 1 1 84 84 ASN H H 1 . . 1 1 84 84 ASN N N 15 . -2.69 . . . . . . . . . . . . . . 15562 1 63 DNH . 1 1 85 85 VAL H H 1 . . 1 1 85 85 VAL N N 15 . 2.79 . . . . . . . . . . . . . . 15562 1 64 DNH . 1 1 87 87 HIS H H 1 . . 1 1 87 87 HIS N N 15 . -6.59 . . . . . . . . . . . . . . 15562 1 65 DNH . 1 1 88 88 LYS H H 1 . . 1 1 88 88 LYS N N 15 . -5.12 . . . . . . . . . . . . . . 15562 1 66 DNH . 1 1 89 89 ILE H H 1 . . 1 1 89 89 ILE N N 15 . -0.6 . . . . . . . . . . . . . . 15562 1 67 DNH . 1 1 90 90 THR H H 1 . . 1 1 90 90 THR N N 15 . -11.35 . . . . . . . . . . . . . . 15562 1 68 DNH . 1 1 91 91 GLU H H 1 . . 1 1 91 91 GLU N N 15 . -7.6 . . . . . . . . . . . . . . 15562 1 69 DNH . 1 1 92 92 ALA H H 1 . . 1 1 92 92 ALA N N 15 . -3.85 . . . . . . . . . . . . . . 15562 1 70 DNH . 1 1 95 95 VAL H H 1 . . 1 1 95 95 VAL N N 15 . -6.8 . . . . . . . . . . . . . . 15562 1 71 DNH . 1 1 96 96 SER H H 1 . . 1 1 96 96 SER N N 15 . -9.33 . . . . . . . . . . . . . . 15562 1 72 DNH . 1 1 97 97 ILE H H 1 . . 1 1 97 97 ILE N N 15 . -1.11 . . . . . . . . . . . . . . 15562 1 73 DNH . 1 1 98 98 LEU H H 1 . . 1 1 98 98 LEU N N 15 . -10.34 . . . . . . . . . . . . . . 15562 1 74 DNH . 1 1 100 100 GLY H H 1 . . 1 1 100 100 GLY N N 15 . -12.06 . . . . . . . . . . . . . . 15562 1 75 DNH . 1 1 102 102 ALA H H 1 . . 1 1 102 102 ALA N N 15 . -4.91 . . . . . . . . . . . . . . 15562 1 76 DNH . 1 1 103 103 LYS H H 1 . . 1 1 103 103 LYS N N 15 . -4.46 . . . . . . . . . . . . . . 15562 1 77 DNH . 1 1 104 104 GLN H H 1 . . 1 1 104 104 GLN N N 15 . -10.19 . . . . . . . . . . . . . . 15562 1 78 DNH . 1 1 106 106 ASN H H 1 . . 1 1 106 106 ASN N N 15 . 2.94 . . . . . . . . . . . . . . 15562 1 79 DNH . 1 1 109 109 ASN H H 1 . . 1 1 109 109 ASN N N 15 . 0.51 . . . . . . . . . . . . . . 15562 1 80 DNH . 1 1 111 111 SER H H 1 . . 1 1 111 111 SER N N 15 . 1.78 . . . . . . . . . . . . . . 15562 1 81 DHN . 1 1 112 112 LYS H H 1 . . 1 1 112 112 LYS N N 15 . 1.28 . . . . . . . . . . . . . . 15562 1 82 DHN . 1 1 113 113 ILE H H 1 . . 1 1 113 113 ILE N N 15 . 2.69 . . . . . . . . . . . . . . 15562 1 83 DHN . 1 1 114 114 ILE H H 1 . . 1 1 114 114 ILE N N 15 . 5.72 . . . . . . . . . . . . . . 15562 1 84 DHN . 1 1 115 115 PHE H H 1 . . 1 1 115 115 PHE N N 15 . 4.82 . . . . . . . . . . . . . . 15562 1 85 DHN . 1 1 116 116 GLU H H 1 . . 1 1 116 116 GLU N N 15 . 4 . . . . . . . . . . . . . . 15562 1 stop_ save_ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 15562 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 500.13 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'Protein sample was weakly aligned in a 8% polyacrylamide gel' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 3 '2D 1H-15N IPAP HSQC' . . . 15562 2 4 '2D 1H-15N IPAP HSQC' . . . 15562 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $NMRPipe . . 15562 2 2 $SPARKY . . 15562 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 4 4 GLU H H 1 . . 1 1 4 4 GLU N N 15 . -7.25 . . . . . . . . . . . . . . 15562 2 2 DNH . 1 1 5 5 LEU H H 1 . . 1 1 5 5 LEU N N 15 . -5.26 . . . . . . . . . . . . . . 15562 2 3 DNH . 1 1 6 6 GLN H H 1 . . 1 1 6 6 GLN N N 15 . -11.18 . . . . . . . . . . . . . . 15562 2 4 DNH . 1 1 8 8 ILE H H 1 . . 1 1 8 8 ILE N N 15 . -13.07 . . . . . . . . . . . . . . 15562 2 5 DNH . 1 1 9 9 ARG H H 1 . . 1 1 9 9 ARG N N 15 . -12.44 . . . . . . . . . . . . . . 15562 2 6 DNH . 1 1 10 10 GLU H H 1 . . 1 1 10 10 GLU N N 15 . -13.22 . . . . . . . . . . . . . . 15562 2 7 DNH . 1 1 11 11 ALA H H 1 . . 1 1 11 11 ALA N N 15 . -15.85 . . . . . . . . . . . . . . 15562 2 8 DNH . 1 1 12 12 ARG H H 1 . . 1 1 12 12 ARG N N 15 . -11.96 . . . . . . . . . . . . . . 15562 2 9 DNH . 1 1 14 14 ALA H H 1 . . 1 1 14 14 ALA N N 15 . -14.06 . . . . . . . . . . . . . . 15562 2 10 DNH . 1 1 15 15 GLN H H 1 . . 1 1 15 15 GLN N N 15 . -9.76 . . . . . . . . . . . . . . 15562 2 11 DNH . 1 1 16 16 LEU H H 1 . . 1 1 16 16 LEU N N 15 . -7.28 . . . . . . . . . . . . . . 15562 2 12 DNH . 1 1 18 18 ASN H H 1 . . 1 1 18 18 ASN N N 15 . -2.15 . . . . . . . . . . . . . . 15562 2 13 DNH . 1 1 19 19 ASN H H 1 . . 1 1 19 19 ASN N N 15 . -3.27 . . . . . . . . . . . . . . 15562 2 14 DNH . 1 1 22 22 GLY H H 1 . . 1 1 22 22 GLY N N 15 . 0.53 . . . . . . . . . . . . . . 15562 2 15 DNH . 1 1 23 23 THR H H 1 . . 1 1 23 23 THR N N 15 . 3.82 . . . . . . . . . . . . . . 15562 2 16 DNH . 1 1 25 25 GLY H H 1 . . 1 1 25 25 GLY N N 15 . 1.23 . . . . . . . . . . . . . . 15562 2 17 DNH . 1 1 26 26 ASP H H 1 . . 1 1 26 26 ASP N N 15 . 3.11 . . . . . . . . . . . . . . 15562 2 18 DNH . 1 1 27 27 ARG H H 1 . . 1 1 27 27 ARG N N 15 . 2.23 . . . . . . . . . . . . . . 15562 2 19 DNH . 1 1 28 28 ASN H H 1 . . 1 1 28 28 ASN N N 15 . 2.16 . . . . . . . . . . . . . . 15562 2 20 DNH . 1 1 29 29 SER H H 1 . . 1 1 29 29 SER N N 15 . 1.23 . . . . . . . . . . . . . . 15562 2 21 DNH . 1 1 30 30 GLY H H 1 . . 1 1 30 30 GLY N N 15 . 1.97 . . . . . . . . . . . . . . 15562 2 22 DNH . 1 1 32 32 ASN H H 1 . . 1 1 32 32 ASN N N 15 . 2.17 . . . . . . . . . . . . . . 15562 2 23 DNH . 1 1 34 34 GLY H H 1 . . 1 1 34 34 GLY N N 15 . 0.97 . . . . . . . . . . . . . . 15562 2 24 DNH . 1 1 35 35 GLY H H 1 . . 1 1 35 35 GLY N N 15 . 2.1 . . . . . . . . . . . . . . 15562 2 25 DNH . 1 1 37 37 GLU H H 1 . . 1 1 37 37 GLU N N 15 . 1.86 . . . . . . . . . . . . . . 15562 2 26 DNH . 1 1 38 38 ASN H H 1 . . 1 1 38 38 ASN N N 15 . 7.03 . . . . . . . . . . . . . . 15562 2 27 DNH . 1 1 40 40 ALA H H 1 . . 1 1 40 40 ALA N N 15 . 10.83 . . . . . . . . . . . . . . 15562 2 28 DNH . 1 1 42 42 VAL H H 1 . . 1 1 42 42 VAL N N 15 . 15.79 . . . . . . . . . . . . . . 15562 2 29 DNH . 1 1 43 43 GLY H H 1 . . 1 1 43 43 GLY N N 15 . 3.1 . . . . . . . . . . . . . . 15562 2 30 DNH . 1 1 44 44 ALA H H 1 . . 1 1 44 44 ALA N N 15 . -3.97 . . . . . . . . . . . . . . 15562 2 31 DNH . 1 1 46 46 ILE H H 1 . . 1 1 46 46 ILE N N 15 . 13.75 . . . . . . . . . . . . . . 15562 2 32 DNH . 1 1 47 47 ALA H H 1 . . 1 1 47 47 ALA N N 15 . -7.51 . . . . . . . . . . . . . . 15562 2 33 DNH . 1 1 48 48 ASN H H 1 . . 1 1 48 48 ASN N N 15 . 8.27 . . . . . . . . . . . . . . 15562 2 34 DNH . 1 1 50 50 LEU H H 1 . . 1 1 50 50 LEU N N 15 . -12.39 . . . . . . . . . . . . . . 15562 2 35 DNH . 1 1 51 51 GLU H H 1 . . 1 1 51 51 GLU N N 15 . -17.76 . . . . . . . . . . . . . . 15562 2 36 DNH . 1 1 53 53 GLN H H 1 . . 1 1 53 53 GLN N N 15 . -6.15 . . . . . . . . . . . . . . 15562 2 37 DNH . 1 1 54 54 ALA H H 1 . . 1 1 54 54 ALA N N 15 . -1.26 . . . . . . . . . . . . . . 15562 2 38 DNH . 1 1 59 59 SER H H 1 . . 1 1 59 59 SER N N 15 . -6.99 . . . . . . . . . . . . . . 15562 2 39 DNH . 1 1 61 61 VAL H H 1 . . 1 1 61 61 VAL N N 15 . -0.29 . . . . . . . . . . . . . . 15562 2 40 DNH . 1 1 62 62 ALA H H 1 . . 1 1 62 62 ALA N N 15 . -7.18 . . . . . . . . . . . . . . 15562 2 41 DNH . 1 1 63 63 LEU H H 1 . . 1 1 63 63 LEU N N 15 . -3.56 . . . . . . . . . . . . . . 15562 2 42 DNH . 1 1 64 64 VAL H H 1 . . 1 1 64 64 VAL N N 15 . -0.99 . . . . . . . . . . . . . . 15562 2 43 DNH . 1 1 65 65 ARG H H 1 . . 1 1 65 65 ARG N N 15 . -8.74 . . . . . . . . . . . . . . 15562 2 44 DNH . 1 1 66 66 ARG H H 1 . . 1 1 66 66 ARG N N 15 . 2.15 . . . . . . . . . . . . . . 15562 2 45 DNH . 1 1 67 67 ASP H H 1 . . 1 1 67 67 ASP N N 15 . 12.69 . . . . . . . . . . . . . . 15562 2 46 DNH . 1 1 68 68 ARG H H 1 . . 1 1 68 68 ARG N N 15 . 14 . . . . . . . . . . . . . . 15562 2 47 DNH . 1 1 69 69 ALA H H 1 . . 1 1 69 69 ALA N N 15 . 6 . . . . . . . . . . . . . . 15562 2 48 DNH . 1 1 70 70 GLN H H 1 . . 1 1 70 70 GLN N N 15 . 1.09 . . . . . . . . . . . . . . 15562 2 49 DNH . 1 1 71 71 ALA H H 1 . . 1 1 71 71 ALA N N 15 . 18.55 . . . . . . . . . . . . . . 15562 2 50 DNH . 1 1 74 74 THR H H 1 . . 1 1 74 74 THR N N 15 . 9.75 . . . . . . . . . . . . . . 15562 2 51 DNH . 1 1 76 76 LEU H H 1 . . 1 1 76 76 LEU N N 15 . 5.49 . . . . . . . . . . . . . . 15562 2 52 DNH . 1 1 78 78 LYS H H 1 . . 1 1 78 78 LYS N N 15 . 12.92 . . . . . . . . . . . . . . 15562 2 53 DNH . 1 1 79 79 LEU H H 1 . . 1 1 79 79 LEU N N 15 . 17.42 . . . . . . . . . . . . . . 15562 2 54 DNH . 1 1 82 82 THR H H 1 . . 1 1 82 82 THR N N 15 . 21.65 . . . . . . . . . . . . . . 15562 2 55 DNH . 1 1 83 83 ASN H H 1 . . 1 1 83 83 ASN N N 15 . -3.22 . . . . . . . . . . . . . . 15562 2 56 DNH . 1 1 84 84 ASN H H 1 . . 1 1 84 84 ASN N N 15 . -2.28 . . . . . . . . . . . . . . 15562 2 57 DNH . 1 1 85 85 VAL H H 1 . . 1 1 85 85 VAL N N 15 . 3.64 . . . . . . . . . . . . . . 15562 2 58 DNH . 1 1 87 87 HIS H H 1 . . 1 1 87 87 HIS N N 15 . -9.04 . . . . . . . . . . . . . . 15562 2 59 DNH . 1 1 88 88 LYS H H 1 . . 1 1 88 88 LYS N N 15 . -6.15 . . . . . . . . . . . . . . 15562 2 60 DNH . 1 1 89 89 ILE H H 1 . . 1 1 89 89 ILE N N 15 . 0.05 . . . . . . . . . . . . . . 15562 2 61 DNH . 1 1 91 91 GLU H H 1 . . 1 1 91 91 GLU N N 15 . -8.7 . . . . . . . . . . . . . . 15562 2 62 DNH . 1 1 92 92 ALA H H 1 . . 1 1 92 92 ALA N N 15 . -6.14 . . . . . . . . . . . . . . 15562 2 63 DNH . 1 1 95 95 VAL H H 1 . . 1 1 95 95 VAL N N 15 . -7.8 . . . . . . . . . . . . . . 15562 2 64 DNH . 1 1 96 96 SER H H 1 . . 1 1 96 96 SER N N 15 . -10.46 . . . . . . . . . . . . . . 15562 2 65 DNH . 1 1 97 97 ILE H H 1 . . 1 1 97 97 ILE N N 15 . -0.86 . . . . . . . . . . . . . . 15562 2 66 DNH . 1 1 100 100 GLY H H 1 . . 1 1 100 100 GLY N N 15 . -15.34 . . . . . . . . . . . . . . 15562 2 67 DNH . 1 1 103 103 LYS H H 1 . . 1 1 103 103 LYS N N 15 . -5.26 . . . . . . . . . . . . . . 15562 2 68 DNH . 1 1 104 104 GLN H H 1 . . 1 1 104 104 GLN N N 15 . -11.35 . . . . . . . . . . . . . . 15562 2 69 DNH . 1 1 106 106 ASN H H 1 . . 1 1 106 106 ASN N N 15 . 2.66 . . . . . . . . . . . . . . 15562 2 70 DNH . 1 1 109 109 ASN H H 1 . . 1 1 109 109 ASN N N 15 . 0.59 . . . . . . . . . . . . . . 15562 2 71 DNH . 1 1 111 111 SER H H 1 . . 1 1 111 111 SER N N 15 . 2.34 . . . . . . . . . . . . . . 15562 2 72 DNH . 1 1 112 112 LYS H H 1 . . 1 1 112 112 LYS N N 15 . 1.54 . . . . . . . . . . . . . . 15562 2 73 DNH . 1 1 113 113 ILE H H 1 . . 1 1 113 113 ILE N N 15 . 3.11 . . . . . . . . . . . . . . 15562 2 74 DNH . 1 1 114 114 ILE H H 1 . . 1 1 114 114 ILE N N 15 . 6.99 . . . . . . . . . . . . . . 15562 2 75 DNH . 1 1 115 115 PHE H H 1 . . 1 1 115 115 PHE N N 15 . 5.98 . . . . . . . . . . . . . . 15562 2 76 DNH . 1 1 116 116 GLU H H 1 . . 1 1 116 116 GLU N N 15 . 4.81 . . . . . . . . . . . . . . 15562 2 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 15562 _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 600.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 5.00E+06 _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 19 'NMR relaxation' . . . 15562 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 1 $NMRPipe . . 15562 1 2 $SPARKY . . 15562 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 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 -0.02932 0.00335 . . . . . . . . . . 15562 1 2 . 1 1 6 6 GLN N N 15 . 1 1 6 6 GLN H H 1 0.10927 0.00665 . . . . . . . . . . 15562 1 3 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.25403 0.00634 . . . . . . . . . . 15562 1 4 . 1 1 9 9 ARG N N 15 . 1 1 9 9 ARG H H 1 0.36731 0.00763 . . . . . . . . . . 15562 1 5 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.26466 0.00667 . . . . . . . . . . 15562 1 6 . 1 1 11 11 ALA N N 15 . 1 1 11 11 ALA H H 1 0.33697 0.00797 . . . . . . . . . . 15562 1 7 . 1 1 12 12 ARG N N 15 . 1 1 12 12 ARG H H 1 0.3717 0.00863 . . . . . . . . . . 15562 1 8 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.264 0.00535 . . . . . . . . . . 15562 1 9 . 1 1 15 15 GLN N N 15 . 1 1 15 15 GLN H H 1 0.22936 0.00748 . . . . . . . . . . 15562 1 10 . 1 1 18 18 ASN N N 15 . 1 1 18 18 ASN H H 1 0.11115 0.00863 . . . . . . . . . . 15562 1 11 . 1 1 19 19 ASN N N 15 . 1 1 19 19 ASN H H 1 0.21245 0.00818 . . . . . . . . . . 15562 1 12 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 -0.37273 0.00799 . . . . . . . . . . 15562 1 13 . 1 1 23 23 THR N N 15 . 1 1 23 23 THR H H 1 -0.26624 0.00792 . . . . . . . . . . 15562 1 14 . 1 1 24 24 ASN N N 15 . 1 1 24 24 ASN H H 1 -0.33775 0.00885 . . . . . . . . . . 15562 1 15 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 -0.44496 0.00987 . . . . . . . . . . 15562 1 16 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 -0.08719 0.00391 . . . . . . . . . . 15562 1 17 . 1 1 27 27 ARG N N 15 . 1 1 27 27 ARG H H 1 -0.26414 0.00656 . . . . . . . . . . 15562 1 18 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 -0.12516 0.00609 . . . . . . . . . . 15562 1 19 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 -0.33348 0.01115 . . . . . . . . . . 15562 1 20 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 -0.27993 0.00504 . . . . . . . . . . 15562 1 21 . 1 1 32 32 ASN N N 15 . 1 1 32 32 ASN H H 1 -0.52827 0.01043 . . . . . . . . . . 15562 1 22 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 -0.53201 0.01004 . . . . . . . . . . 15562 1 23 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 -0.41193 0.00833 . . . . . . . . . . 15562 1 24 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 -0.42193 0.00411 . . . . . . . . . . 15562 1 25 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 -0.05084 0.00364 . . . . . . . . . . 15562 1 26 . 1 1 38 38 ASN N N 15 . 1 1 38 38 ASN H H 1 -0.09596 0.00505 . . . . . . . . . . 15562 1 27 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 -0.22708 0.00734 . . . . . . . . . . 15562 1 28 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 0.15812 0.00516 . . . . . . . . . . 15562 1 29 . 1 1 42 42 VAL N N 15 . 1 1 42 42 VAL H H 1 0.3667 0.01314 . . . . . . . . . . 15562 1 30 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.54187 0.02619 . . . . . . . . . . 15562 1 31 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.63628 0.01572 . . . . . . . . . . 15562 1 32 . 1 1 46 46 ILE N N 15 . 1 1 46 46 ILE H H 1 0.67886 0.03265 . . . . . . . . . . 15562 1 33 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.70849 0.02237 . . . . . . . . . . 15562 1 34 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.68366 0.01595 . . . . . . . . . . 15562 1 35 . 1 1 50 50 LEU N N 15 . 1 1 50 50 LEU H H 1 0.71781 0.0183 . . . . . . . . . . 15562 1 36 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.73578 0.03241 . . . . . . . . . . 15562 1 37 . 1 1 53 53 GLN N N 15 . 1 1 53 53 GLN H H 1 0.77028 0.021 . . . . . . . . . . 15562 1 38 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 0.75067 0.02101 . . . . . . . . . . 15562 1 39 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.77241 0.02426 . . . . . . . . . . 15562 1 40 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.69744 0.01739 . . . . . . . . . . 15562 1 41 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.78283 0.01921 . . . . . . . . . . 15562 1 42 . 1 1 58 58 LEU N N 15 . 1 1 58 58 LEU H H 1 0.7329 0.00761 . . . . . . . . . . 15562 1 43 . 1 1 59 59 SER N N 15 . 1 1 59 59 SER H H 1 0.73295 0.01715 . . . . . . . . . . 15562 1 44 . 1 1 61 61 VAL N N 15 . 1 1 61 61 VAL H H 1 0.7525 0.01944 . . . . . . . . . . 15562 1 45 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.74752 0.01792 . . . . . . . . . . 15562 1 46 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.71972 0.01887 . . . . . . . . . . 15562 1 47 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.64 0.01885 . . . . . . . . . . 15562 1 48 . 1 1 65 65 ARG N N 15 . 1 1 65 65 ARG H H 1 0.70998 0.02527 . . . . . . . . . . 15562 1 49 . 1 1 66 66 ARG N N 15 . 1 1 66 66 ARG H H 1 0.74596 0.0298 . . . . . . . . . . 15562 1 50 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 0.79326 0.02504 . . . . . . . . . . 15562 1 51 . 1 1 68 68 ARG N N 15 . 1 1 68 68 ARG H H 1 0.69182 0.0218 . . . . . . . . . . 15562 1 52 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 0.70263 0.0245 . . . . . . . . . . 15562 1 53 . 1 1 70 70 GLN N N 15 . 1 1 70 70 GLN H H 1 0.73546 0.01987 . . . . . . . . . . 15562 1 54 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.79059 0.02057 . . . . . . . . . . 15562 1 55 . 1 1 72 72 VAL N N 15 . 1 1 72 72 VAL H H 1 0.74724 0.02466 . . . . . . . . . . 15562 1 56 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.77907 0.02377 . . . . . . . . . . 15562 1 57 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.76516 0.01397 . . . . . . . . . . 15562 1 58 . 1 1 78 78 LYS N N 15 . 1 1 78 78 LYS H H 1 0.73548 0.01685 . . . . . . . . . . 15562 1 59 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.74415 0.02746 . . . . . . . . . . 15562 1 60 . 1 1 81 81 ALA N N 15 . 1 1 81 81 ALA H H 1 0.75374 0.02091 . . . . . . . . . . 15562 1 61 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.70185 0.01849 . . . . . . . . . . 15562 1 62 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.65261 0.01687 . . . . . . . . . . 15562 1 63 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.49382 0.00646 . . . . . . . . . . 15562 1 64 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.19123 0.00386 . . . . . . . . . . 15562 1 65 . 1 1 87 87 HIS N N 15 . 1 1 87 87 HIS H H 1 0.62504 0.01309 . . . . . . . . . . 15562 1 66 . 1 1 88 88 LYS N N 15 . 1 1 88 88 LYS H H 1 0.64762 0.01656 . . . . . . . . . . 15562 1 67 . 1 1 89 89 ILE N N 15 . 1 1 89 89 ILE H H 1 0.71905 0.03754 . . . . . . . . . . 15562 1 68 . 1 1 90 90 THR N N 15 . 1 1 90 90 THR H H 1 0.7646 0.028 . . . . . . . . . . 15562 1 69 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.75317 0.02494 . . . . . . . . . . 15562 1 70 . 1 1 92 92 ALA N N 15 . 1 1 92 92 ALA H H 1 0.7048 0.01415 . . . . . . . . . . 15562 1 71 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.75548 0.02225 . . . . . . . . . . 15562 1 72 . 1 1 94 94 ILE N N 15 . 1 1 94 94 ILE H H 1 0.74677 0.02282 . . . . . . . . . . 15562 1 73 . 1 1 95 95 VAL N N 15 . 1 1 95 95 VAL H H 1 0.61689 0.01718 . . . . . . . . . . 15562 1 74 . 1 1 96 96 SER N N 15 . 1 1 96 96 SER H H 1 0.7684 0.0185 . . . . . . . . . . 15562 1 75 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.73172 0.01855 . . . . . . . . . . 15562 1 76 . 1 1 99 99 ASN N N 15 . 1 1 99 99 ASN H H 1 0.59672 0.01281 . . . . . . . . . . 15562 1 77 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.69733 0.01927 . . . . . . . . . . 15562 1 78 . 1 1 101 101 ILE N N 15 . 1 1 101 101 ILE H H 1 0.686 0.00563 . . . . . . . . . . 15562 1 79 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.62412 0.01338 . . . . . . . . . . 15562 1 80 . 1 1 103 103 LYS N N 15 . 1 1 103 103 LYS H H 1 0.60559 0.01553 . . . . . . . . . . 15562 1 81 . 1 1 104 104 GLN N N 15 . 1 1 104 104 GLN H H 1 0.57995 0.01244 . . . . . . . . . . 15562 1 82 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN H H 1 0.44303 0.01243 . . . . . . . . . . 15562 1 83 . 1 1 108 108 GLN N N 15 . 1 1 108 108 GLN H H 1 0.21774 0.00773 . . . . . . . . . . 15562 1 84 . 1 1 109 109 ASN N N 15 . 1 1 109 109 ASN H H 1 0.2032 0.00593 . . . . . . . . . . 15562 1 85 . 1 1 112 112 LYS N N 15 . 1 1 112 112 LYS H H 1 0.2381 0.00752 . . . . . . . . . . 15562 1 86 . 1 1 113 113 ILE N N 15 . 1 1 113 113 ILE H H 1 0.1399 0.00475 . . . . . . . . . . 15562 1 87 . 1 1 114 114 ILE N N 15 . 1 1 114 114 ILE H H 1 0.14971 0.00633 . . . . . . . . . . 15562 1 88 . 1 1 115 115 PHE N N 15 . 1 1 115 115 PHE H H 1 0.18718 0.0072 . . . . . . . . . . 15562 1 89 . 1 1 116 116 GLU N N 15 . 1 1 116 116 GLU H H 1 0.1278 0.00582 . . . . . . . . . . 15562 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 15562 _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 500.13 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 5.00E+06 _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 19 'NMR relaxation' . . . 15562 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 1 $NMRPipe . . 15562 2 2 $SPARKY . . 15562 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 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 -0.29144 0.0102 . . . . . . . . . . 15562 2 2 . 1 1 5 5 LEU N N 15 . 1 1 5 5 LEU H H 1 -0.08091 0.008 . . . . . . . . . . 15562 2 3 . 1 1 7 7 ALA N N 15 . 1 1 7 7 ALA H H 1 0.26424 0.0106 . . . . . . . . . . 15562 2 4 . 1 1 8 8 ILE N N 15 . 1 1 8 8 ILE H H 1 0.27698 0.01101 . . . . . . . . . . 15562 2 5 . 1 1 9 9 ARG N N 15 . 1 1 9 9 ARG H H 1 0.24267 0.00956 . . . . . . . . . . 15562 2 6 . 1 1 10 10 GLU N N 15 . 1 1 10 10 GLU H H 1 0.20517 0.01113 . . . . . . . . . . 15562 2 7 . 1 1 11 11 ALA N N 15 . 1 1 11 11 ALA H H 1 0.22628 0.01069 . . . . . . . . . . 15562 2 8 . 1 1 12 12 ARG N N 15 . 1 1 12 12 ARG H H 1 0.246 0.0119 . . . . . . . . . . 15562 2 9 . 1 1 13 13 LEU N N 15 . 1 1 13 13 LEU H H 1 0.18 0.00937 . . . . . . . . . . 15562 2 10 . 1 1 14 14 ALA N N 15 . 1 1 14 14 ALA H H 1 0.18 0.00937 . . . . . . . . . . 15562 2 11 . 1 1 15 15 GLN N N 15 . 1 1 15 15 GLN H H 1 0.08773 0.00924 . . . . . . . . . . 15562 2 12 . 1 1 18 18 ASN N N 15 . 1 1 18 18 ASN H H 1 -0.21075 0.01615 . . . . . . . . . . 15562 2 13 . 1 1 22 22 GLY N N 15 . 1 1 22 22 GLY H H 1 -0.98644 0.02246 . . . . . . . . . . 15562 2 14 . 1 1 23 23 THR N N 15 . 1 1 23 23 THR H H 1 -0.78059 0.02197 . . . . . . . . . . 15562 2 15 . 1 1 24 24 ASN N N 15 . 1 1 24 24 ASN H H 1 -0.77876 0.02618 . . . . . . . . . . 15562 2 16 . 1 1 25 25 GLY N N 15 . 1 1 25 25 GLY H H 1 -0.80353 0.02209 . . . . . . . . . . 15562 2 17 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 -0.4836 0.01077 . . . . . . . . . . 15562 2 18 . 1 1 27 27 ARG N N 15 . 1 1 27 27 ARG H H 1 -0.48417 0.01431 . . . . . . . . . . 15562 2 19 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 -0.41462 0.01693 . . . . . . . . . . 15562 2 20 . 1 1 29 29 SER N N 15 . 1 1 29 29 SER H H 1 -0.58116 0.02159 . . . . . . . . . . 15562 2 21 . 1 1 30 30 GLY N N 15 . 1 1 30 30 GLY H H 1 -0.60944 0.01457 . . . . . . . . . . 15562 2 22 . 1 1 31 31 ALA N N 15 . 1 1 31 31 ALA H H 1 -0.1979 0.00719 . . . . . . . . . . 15562 2 23 . 1 1 32 32 ASN N N 15 . 1 1 32 32 ASN H H 1 -0.6918 0.02091 . . . . . . . . . . 15562 2 24 . 1 1 33 33 ASN N N 15 . 1 1 33 33 ASN H H 1 -0.72118 0.01792 . . . . . . . . . . 15562 2 25 . 1 1 34 34 GLY N N 15 . 1 1 34 34 GLY H H 1 -0.70501 0.02139 . . . . . . . . . . 15562 2 26 . 1 1 35 35 GLY N N 15 . 1 1 35 35 GLY H H 1 -0.8588 0.00948 . . . . . . . . . . 15562 2 27 . 1 1 37 37 GLU N N 15 . 1 1 37 37 GLU H H 1 -0.35925 0.01128 . . . . . . . . . . 15562 2 28 . 1 1 38 38 ASN N N 15 . 1 1 38 38 ASN H H 1 -0.34938 0.01436 . . . . . . . . . . 15562 2 29 . 1 1 39 39 SER N N 15 . 1 1 39 39 SER H H 1 -0.67949 0.01936 . . . . . . . . . . 15562 2 30 . 1 1 40 40 ALA N N 15 . 1 1 40 40 ALA H H 1 -0.06424 0.00897 . . . . . . . . . . 15562 2 31 . 1 1 42 42 VAL N N 15 . 1 1 42 42 VAL H H 1 0.28895 0.02012 . . . . . . . . . . 15562 2 32 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 0.50306 0.03429 . . . . . . . . . . 15562 2 33 . 1 1 44 44 ALA N N 15 . 1 1 44 44 ALA H H 1 0.61915 0.02631 . . . . . . . . . . 15562 2 34 . 1 1 45 45 ALA N N 15 . 1 1 45 45 ALA H H 1 0.59626 0.02533 . . . . . . . . . . 15562 2 35 . 1 1 46 46 ILE N N 15 . 1 1 46 46 ILE H H 1 0.64287 0.05084 . . . . . . . . . . 15562 2 36 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.64177 0.03542 . . . . . . . . . . 15562 2 37 . 1 1 48 48 ASN N N 15 . 1 1 48 48 ASN H H 1 0.61962 0.02756 . . . . . . . . . . 15562 2 38 . 1 1 50 50 LEU N N 15 . 1 1 50 50 LEU H H 1 0.69374 0.03117 . . . . . . . . . . 15562 2 39 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.71932 0.04246 . . . . . . . . . . 15562 2 40 . 1 1 53 53 GLN N N 15 . 1 1 53 53 GLN H H 1 0.71347 0.02884 . . . . . . . . . . 15562 2 41 . 1 1 54 54 ALA N N 15 . 1 1 54 54 ALA H H 1 0.71326 0.03536 . . . . . . . . . . 15562 2 42 . 1 1 55 55 LEU N N 15 . 1 1 55 55 LEU H H 1 0.73659 0.03475 . . . . . . . . . . 15562 2 43 . 1 1 56 56 GLU N N 15 . 1 1 56 56 GLU H H 1 0.60123 0.02346 . . . . . . . . . . 15562 2 44 . 1 1 57 57 ARG N N 15 . 1 1 57 57 ARG H H 1 0.76838 0.02892 . . . . . . . . . . 15562 2 45 . 1 1 58 58 LEU N N 15 . 1 1 58 58 LEU H H 1 0.71937 0.01164 . . . . . . . . . . 15562 2 46 . 1 1 59 59 SER N N 15 . 1 1 59 59 SER H H 1 0.68637 0.03013 . . . . . . . . . . 15562 2 47 . 1 1 60 60 ARG N N 15 . 1 1 60 60 ARG H H 1 0.65407 0.01099 . . . . . . . . . . 15562 2 48 . 1 1 61 61 VAL N N 15 . 1 1 61 61 VAL H H 1 0.66037 0.03017 . . . . . . . . . . 15562 2 49 . 1 1 62 62 ALA N N 15 . 1 1 62 62 ALA H H 1 0.67787 0.02736 . . . . . . . . . . 15562 2 50 . 1 1 63 63 LEU N N 15 . 1 1 63 63 LEU H H 1 0.67468 0.02924 . . . . . . . . . . 15562 2 51 . 1 1 64 64 VAL N N 15 . 1 1 64 64 VAL H H 1 0.64794 0.03439 . . . . . . . . . . 15562 2 52 . 1 1 65 65 ARG N N 15 . 1 1 65 65 ARG H H 1 0.65067 0.03693 . . . . . . . . . . 15562 2 53 . 1 1 66 66 ARG N N 15 . 1 1 66 66 ARG H H 1 0.71883 0.03838 . . . . . . . . . . 15562 2 54 . 1 1 67 67 ASP N N 15 . 1 1 67 67 ASP H H 1 0.7204 0.02759 . . . . . . . . . . 15562 2 55 . 1 1 68 68 ARG N N 15 . 1 1 68 68 ARG H H 1 0.63919 0.03488 . . . . . . . . . . 15562 2 56 . 1 1 69 69 ALA N N 15 . 1 1 69 69 ALA H H 1 0.73564 0.03945 . . . . . . . . . . 15562 2 57 . 1 1 70 70 GLN N N 15 . 1 1 70 70 GLN H H 1 0.68387 0.02895 . . . . . . . . . . 15562 2 58 . 1 1 71 71 ALA N N 15 . 1 1 71 71 ALA H H 1 0.73915 0.02928 . . . . . . . . . . 15562 2 59 . 1 1 72 72 VAL N N 15 . 1 1 72 72 VAL H H 1 0.69303 0.03698 . . . . . . . . . . 15562 2 60 . 1 1 74 74 THR N N 15 . 1 1 74 74 THR H H 1 0.77389 0.03679 . . . . . . . . . . 15562 2 61 . 1 1 76 76 LEU N N 15 . 1 1 76 76 LEU H H 1 0.68304 0.02283 . . . . . . . . . . 15562 2 62 . 1 1 78 78 LYS N N 15 . 1 1 78 78 LYS H H 1 0.73041 0.02888 . . . . . . . . . . 15562 2 63 . 1 1 79 79 LEU N N 15 . 1 1 79 79 LEU H H 1 0.71652 0.0398 . . . . . . . . . . 15562 2 64 . 1 1 81 81 ALA N N 15 . 1 1 81 81 ALA H H 1 0.71452 0.03046 . . . . . . . . . . 15562 2 65 . 1 1 82 82 THR N N 15 . 1 1 82 82 THR H H 1 0.68777 0.02974 . . . . . . . . . . 15562 2 66 . 1 1 83 83 ASN N N 15 . 1 1 83 83 ASN H H 1 0.60618 0.0262 . . . . . . . . . . 15562 2 67 . 1 1 84 84 ASN N N 15 . 1 1 84 84 ASN H H 1 0.3808 0.00945 . . . . . . . . . . 15562 2 68 . 1 1 85 85 VAL N N 15 . 1 1 85 85 VAL H H 1 0.12372 0.00541 . . . . . . . . . . 15562 2 69 . 1 1 87 87 HIS N N 15 . 1 1 87 87 HIS H H 1 0.54256 0.021 . . . . . . . . . . 15562 2 70 . 1 1 88 88 LYS N N 15 . 1 1 88 88 LYS H H 1 0.60148 0.02982 . . . . . . . . . . 15562 2 71 . 1 1 89 89 ILE N N 15 . 1 1 89 89 ILE H H 1 0.64649 0.04859 . . . . . . . . . . 15562 2 72 . 1 1 90 90 THR N N 15 . 1 1 90 90 THR H H 1 0.68074 0.0437 . . . . . . . . . . 15562 2 73 . 1 1 91 91 GLU N N 15 . 1 1 91 91 GLU H H 1 0.77488 0.0456 . . . . . . . . . . 15562 2 74 . 1 1 92 92 ALA N N 15 . 1 1 92 92 ALA H H 1 0.61224 0.02241 . . . . . . . . . . 15562 2 75 . 1 1 93 93 GLU N N 15 . 1 1 93 93 GLU H H 1 0.76982 0.03816 . . . . . . . . . . 15562 2 76 . 1 1 94 94 ILE N N 15 . 1 1 94 94 ILE H H 1 0.66633 0.03487 . . . . . . . . . . 15562 2 77 . 1 1 95 95 VAL N N 15 . 1 1 95 95 VAL H H 1 0.56981 0.03278 . . . . . . . . . . 15562 2 78 . 1 1 96 96 SER N N 15 . 1 1 96 96 SER H H 1 0.7026 0.02798 . . . . . . . . . . 15562 2 79 . 1 1 98 98 LEU N N 15 . 1 1 98 98 LEU H H 1 0.70059 0.03424 . . . . . . . . . . 15562 2 80 . 1 1 99 99 ASN N N 15 . 1 1 99 99 ASN H H 1 0.53198 0.02302 . . . . . . . . . . 15562 2 81 . 1 1 100 100 GLY N N 15 . 1 1 100 100 GLY H H 1 0.64757 0.02852 . . . . . . . . . . 15562 2 82 . 1 1 101 101 ILE N N 15 . 1 1 101 101 ILE H H 1 0.63446 0.00885 . . . . . . . . . . 15562 2 83 . 1 1 102 102 ALA N N 15 . 1 1 102 102 ALA H H 1 0.61964 0.02225 . . . . . . . . . . 15562 2 84 . 1 1 103 103 LYS N N 15 . 1 1 103 103 LYS H H 1 0.58048 0.02131 . . . . . . . . . . 15562 2 85 . 1 1 104 104 GLN N N 15 . 1 1 104 104 GLN H H 1 0.48905 0.01963 . . . . . . . . . . 15562 2 86 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN H H 1 0.36435 0.0165 . . . . . . . . . . 15562 2 87 . 1 1 109 109 ASN N N 15 . 1 1 109 109 ASN H H 1 0.10878 0.00918 . . . . . . . . . . 15562 2 88 . 1 1 114 114 ILE N N 15 . 1 1 114 114 ILE H H 1 0.11665 0.01026 . . . . . . . . . . 15562 2 89 . 1 1 115 115 PHE N N 15 . 1 1 115 115 PHE H H 1 0.03635 0.01022 . . . . . . . . . . 15562 2 90 . 1 1 116 116 GLU N N 15 . 1 1 116 116 GLU H H 1 0.04024 0.00963 . . . . . . . . . . 15562 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15562 _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 600.13 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _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 19 'NMR relaxation' . . . 15562 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 1 $NMRPipe . . 15562 1 2 $SPARKY . . 15562 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 4 4 GLU N N 15 0.6757 0.00869 . . . . . 15562 1 2 . 1 1 6 6 GLN N N 15 0.5659 0.0164 . . . . . 15562 1 3 . 1 1 7 7 ALA N N 15 0.5579 0.00734 . . . . . 15562 1 4 . 1 1 9 9 ARG N N 15 0.5614 0.0107 . . . . . 15562 1 5 . 1 1 10 10 GLU N N 15 0.5519 0.0139 . . . . . 15562 1 6 . 1 1 11 11 ALA N N 15 0.5431 0.0126 . . . . . 15562 1 7 . 1 1 12 12 ARG N N 15 0.5535 0.0249 . . . . . 15562 1 8 . 1 1 13 13 LEU N N 15 0.5748 0.0162 . . . . . 15562 1 9 . 1 1 15 15 GLN N N 15 0.582 0.0127 . . . . . 15562 1 10 . 1 1 18 18 ASN N N 15 0.5761 0.0442 . . . . . 15562 1 11 . 1 1 19 19 ASN N N 15 0.6193 0.0485 . . . . . 15562 1 12 . 1 1 22 22 GLY N N 15 0.6782 0.0561 . . . . . 15562 1 13 . 1 1 23 23 THR N N 15 0.6711 0.06 . . . . . 15562 1 14 . 1 1 24 24 ASN N N 15 0.653 0.0454 . . . . . 15562 1 15 . 1 1 25 25 GLY N N 15 0.6297 0.0532 . . . . . 15562 1 16 . 1 1 26 26 ASP N N 15 0.6325 0.0297 . . . . . 15562 1 17 . 1 1 27 27 ARG N N 15 0.5997 0.0358 . . . . . 15562 1 18 . 1 1 28 28 ASN N N 15 0.6003 0.0481 . . . . . 15562 1 19 . 1 1 29 29 SER N N 15 0.6364 0.0622 . . . . . 15562 1 20 . 1 1 30 30 GLY N N 15 0.6366 0.0553 . . . . . 15562 1 21 . 1 1 32 32 ASN N N 15 0.6576 0.0622 . . . . . 15562 1 22 . 1 1 33 33 ASN N N 15 0.649 0.0594 . . . . . 15562 1 23 . 1 1 34 34 GLY N N 15 0.6633 0.0543 . . . . . 15562 1 24 . 1 1 35 35 GLY N N 15 0.6724 0.0464 . . . . . 15562 1 25 . 1 1 37 37 GLU N N 15 0.6644 0.0338 . . . . . 15562 1 26 . 1 1 38 38 ASN N N 15 0.6532 0.0398 . . . . . 15562 1 27 . 1 1 39 39 SER N N 15 0.6324 0.0551 . . . . . 15562 1 28 . 1 1 40 40 ALA N N 15 0.7031 0.0226 . . . . . 15562 1 29 . 1 1 42 42 VAL N N 15 0.7351 0.00801 . . . . . 15562 1 30 . 1 1 43 43 GLY N N 15 0.7296 0.00707 . . . . . 15562 1 31 . 1 1 45 45 ALA N N 15 0.7066 0.0234 . . . . . 15562 1 32 . 1 1 46 46 ILE N N 15 0.7361 0.00649 . . . . . 15562 1 33 . 1 1 47 47 ALA N N 15 0.7305 0.00747 . . . . . 15562 1 34 . 1 1 48 48 ASN N N 15 0.6761 0.0192 . . . . . 15562 1 35 . 1 1 50 50 LEU N N 15 0.7629 0.00502 . . . . . 15562 1 36 . 1 1 51 51 GLU N N 15 0.7351 0.00624 . . . . . 15562 1 37 . 1 1 53 53 GLN N N 15 0.6918 0.0137 . . . . . 15562 1 38 . 1 1 54 54 ALA N N 15 0.7196 0.0045 . . . . . 15562 1 39 . 1 1 55 55 LEU N N 15 0.7263 0.00635 . . . . . 15562 1 40 . 1 1 56 56 GLU N N 15 0.7085 0.00626 . . . . . 15562 1 41 . 1 1 57 57 ARG N N 15 0.7247 0.00679 . . . . . 15562 1 42 . 1 1 59 59 SER N N 15 0.7141 0.00821 . . . . . 15562 1 43 . 1 1 61 61 VAL N N 15 0.7252 0.00397 . . . . . 15562 1 44 . 1 1 62 62 ALA N N 15 0.702 0.00652 . . . . . 15562 1 45 . 1 1 63 63 LEU N N 15 0.7315 0.00446 . . . . . 15562 1 46 . 1 1 64 64 VAL N N 15 0.7739 0.00809 . . . . . 15562 1 47 . 1 1 65 65 ARG N N 15 0.7318 0.00955 . . . . . 15562 1 48 . 1 1 66 66 ARG N N 15 0.6674 0.0264 . . . . . 15562 1 49 . 1 1 67 67 ASP N N 15 0.6689 0.0147 . . . . . 15562 1 50 . 1 1 68 68 ARG N N 15 0.7198 0.00977 . . . . . 15562 1 51 . 1 1 69 69 ALA N N 15 0.6983 0.0133 . . . . . 15562 1 52 . 1 1 70 70 GLN N N 15 0.7145 0.00813 . . . . . 15562 1 53 . 1 1 71 71 ALA N N 15 0.6959 0.00664 . . . . . 15562 1 54 . 1 1 72 72 VAL N N 15 0.7217 0.00623 . . . . . 15562 1 55 . 1 1 73 73 GLU N N 15 0.6878 0.00992 . . . . . 15562 1 56 . 1 1 74 74 THR N N 15 0.7078 0.0117 . . . . . 15562 1 57 . 1 1 76 76 LEU N N 15 0.7075 0.00558 . . . . . 15562 1 58 . 1 1 78 78 LYS N N 15 0.7158 0.00557 . . . . . 15562 1 59 . 1 1 79 79 LEU N N 15 0.7084 0.00692 . . . . . 15562 1 60 . 1 1 81 81 ALA N N 15 0.6994 0.0063 . . . . . 15562 1 61 . 1 1 82 82 THR N N 15 0.7264 0.0175 . . . . . 15562 1 62 . 1 1 83 83 ASN N N 15 0.7139 0.0124 . . . . . 15562 1 63 . 1 1 84 84 ASN N N 15 0.676 0.0384 . . . . . 15562 1 64 . 1 1 85 85 VAL N N 15 0.6818 0.00953 . . . . . 15562 1 65 . 1 1 87 87 HIS N N 15 0.7059 0.0292 . . . . . 15562 1 66 . 1 1 88 88 LYS N N 15 0.7027 0.0127 . . . . . 15562 1 67 . 1 1 89 89 ILE N N 15 0.7231 0.0115 . . . . . 15562 1 68 . 1 1 90 90 THR N N 15 0.7071 0.0129 . . . . . 15562 1 69 . 1 1 91 91 GLU N N 15 0.7043 0.00726 . . . . . 15562 1 70 . 1 1 92 92 ALA N N 15 0.6981 0.0102 . . . . . 15562 1 71 . 1 1 93 93 GLU N N 15 0.7226 0.0121 . . . . . 15562 1 72 . 1 1 94 94 ILE N N 15 0.7218 0.0105 . . . . . 15562 1 73 . 1 1 95 95 VAL N N 15 0.6801 0.0109 . . . . . 15562 1 74 . 1 1 96 96 SER N N 15 0.7358 0.00803 . . . . . 15562 1 75 . 1 1 98 98 LEU N N 15 0.7113 0.006 . . . . . 15562 1 76 . 1 1 99 99 ASN N N 15 0.7259 0.0167 . . . . . 15562 1 77 . 1 1 100 100 GLY N N 15 0.7297 0.00338 . . . . . 15562 1 78 . 1 1 102 102 ALA N N 15 0.6862 0.00512 . . . . . 15562 1 79 . 1 1 103 103 LYS N N 15 0.703 0.01 . . . . . 15562 1 80 . 1 1 104 104 GLN N N 15 0.6689 0.0142 . . . . . 15562 1 81 . 1 1 105 105 GLN N N 15 0.6372 0.0265 . . . . . 15562 1 82 . 1 1 108 108 GLN N N 15 0.6139 0.048 . . . . . 15562 1 83 . 1 1 109 109 ASN N N 15 0.6084 0.0471 . . . . . 15562 1 84 . 1 1 112 112 LYS N N 15 0.6102 0.0273 . . . . . 15562 1 85 . 1 1 113 113 ILE N N 15 0.6321 0.00728 . . . . . 15562 1 86 . 1 1 114 114 ILE N N 15 0.6332 0.0051 . . . . . 15562 1 87 . 1 1 115 115 PHE N N 15 0.6217 0.00889 . . . . . 15562 1 88 . 1 1 116 116 GLU N N 15 0.6165 0.0145 . . . . . 15562 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 15562 _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 500.13 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _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 19 'NMR relaxation' . . . 15562 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 1 $NMRPipe . . 15562 2 2 $SPARKY . . 15562 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 4 4 GLU N N 15 0.6435 0.00437 . . . . . 15562 2 2 . 1 1 6 6 GLN N N 15 0.53 0.011 . . . . . 15562 2 3 . 1 1 7 7 ALA N N 15 0.513 0.00275 . . . . . 15562 2 4 . 1 1 9 9 ARG N N 15 0.5349 0.00414 . . . . . 15562 2 5 . 1 1 10 10 GLU N N 15 0.533 0.00556 . . . . . 15562 2 6 . 1 1 11 11 ALA N N 15 0.5046 0.00376 . . . . . 15562 2 7 . 1 1 12 12 ARG N N 15 0.525 0.0096 . . . . . 15562 2 8 . 1 1 13 13 LEU N N 15 0.5495 0.00622 . . . . . 15562 2 9 . 1 1 15 15 GLN N N 15 0.5471 0.00544 . . . . . 15562 2 10 . 1 1 18 18 ASN N N 15 0.5475 0.0122 . . . . . 15562 2 11 . 1 1 19 19 ASN N N 15 0.5968 0.0207 . . . . . 15562 2 12 . 1 1 22 22 GLY N N 15 0.6692 0.0175 . . . . . 15562 2 13 . 1 1 23 23 THR N N 15 0.643 0.0242 . . . . . 15562 2 14 . 1 1 25 25 GLY N N 15 0.6485 0.0163 . . . . . 15562 2 15 . 1 1 26 26 ASP N N 15 0.6198 0.0101 . . . . . 15562 2 16 . 1 1 27 27 ARG N N 15 0.5841 0.0167 . . . . . 15562 2 17 . 1 1 28 28 ASN N N 15 0.5884 0.0189 . . . . . 15562 2 18 . 1 1 29 29 SER N N 15 0.6307 0.02 . . . . . 15562 2 19 . 1 1 30 30 GLY N N 15 0.6393 0.0218 . . . . . 15562 2 20 . 1 1 31 31 ALA N N 15 0.6339 0.0121 . . . . . 15562 2 21 . 1 1 32 32 ASN N N 15 0.6784 0.0181 . . . . . 15562 2 22 . 1 1 33 33 ASN N N 15 0.6252 0.0248 . . . . . 15562 2 23 . 1 1 34 34 GLY N N 15 0.6471 0.0231 . . . . . 15562 2 24 . 1 1 35 35 GLY N N 15 0.6898 0.0138 . . . . . 15562 2 25 . 1 1 37 37 GLU N N 15 0.628 0.0184 . . . . . 15562 2 26 . 1 1 38 38 ASN N N 15 0.6105 0.0184 . . . . . 15562 2 27 . 1 1 39 39 SER N N 15 0.6167 0.0152 . . . . . 15562 2 28 . 1 1 40 40 ALA N N 15 0.6554 0.00805 . . . . . 15562 2 29 . 1 1 42 42 VAL N N 15 0.6557 0.00849 . . . . . 15562 2 30 . 1 1 43 43 GLY N N 15 0.6211 0.00926 . . . . . 15562 2 31 . 1 1 45 45 ALA N N 15 0.5887 0.00752 . . . . . 15562 2 32 . 1 1 46 46 ILE N N 15 0.6145 0.00972 . . . . . 15562 2 33 . 1 1 47 47 ALA N N 15 0.6287 0.00853 . . . . . 15562 2 34 . 1 1 48 48 ASN N N 15 0.5768 0.00754 . . . . . 15562 2 35 . 1 1 50 50 LEU N N 15 0.6259 0.00602 . . . . . 15562 2 36 . 1 1 51 51 GLU N N 15 0.6374 0.0158 . . . . . 15562 2 37 . 1 1 53 53 GLN N N 15 0.5832 0.0128 . . . . . 15562 2 38 . 1 1 54 54 ALA N N 15 0.611 0.0081 . . . . . 15562 2 39 . 1 1 55 55 LEU N N 15 0.6057 0.00382 . . . . . 15562 2 40 . 1 1 56 56 GLU N N 15 0.5893 0.00511 . . . . . 15562 2 41 . 1 1 57 57 ARG N N 15 0.6118 0.00729 . . . . . 15562 2 42 . 1 1 58 58 LEU N N 15 0.532 0.00391 . . . . . 15562 2 43 . 1 1 59 59 SER N N 15 0.5813 0.00666 . . . . . 15562 2 44 . 1 1 60 60 ARG N N 15 0.5564 0.0034 . . . . . 15562 2 45 . 1 1 61 61 VAL N N 15 0.6165 0.0105 . . . . . 15562 2 46 . 1 1 63 63 LEU N N 15 0.6066 0.00981 . . . . . 15562 2 47 . 1 1 64 64 VAL N N 15 0.6467 0.0121 . . . . . 15562 2 48 . 1 1 65 65 ARG N N 15 0.6161 0.0145 . . . . . 15562 2 49 . 1 1 66 66 ARG N N 15 0.5651 0.0256 . . . . . 15562 2 50 . 1 1 67 67 ASP N N 15 0.58 0.00614 . . . . . 15562 2 51 . 1 1 68 68 ARG N N 15 0.6289 0.00702 . . . . . 15562 2 52 . 1 1 69 69 ALA N N 15 0.5777 0.00588 . . . . . 15562 2 53 . 1 1 70 70 GLN N N 15 0.5975 0.0104 . . . . . 15562 2 54 . 1 1 71 71 ALA N N 15 0.5743 0.00266 . . . . . 15562 2 55 . 1 1 72 72 VAL N N 15 0.5756 0.0102 . . . . . 15562 2 56 . 1 1 73 73 GLU N N 15 0.5958 0.00838 . . . . . 15562 2 57 . 1 1 74 74 THR N N 15 0.5865 0.00601 . . . . . 15562 2 58 . 1 1 76 76 LEU N N 15 0.5803 0.0045 . . . . . 15562 2 59 . 1 1 78 78 LYS N N 15 0.5998 0.00641 . . . . . 15562 2 60 . 1 1 79 79 LEU N N 15 0.5932 0.00844 . . . . . 15562 2 61 . 1 1 81 81 ALA N N 15 0.6099 0.0141 . . . . . 15562 2 62 . 1 1 82 82 THR N N 15 0.6063 0.00934 . . . . . 15562 2 63 . 1 1 83 83 ASN N N 15 0.6243 0.00715 . . . . . 15562 2 64 . 1 1 84 84 ASN N N 15 0.6253 0.0113 . . . . . 15562 2 65 . 1 1 85 85 VAL N N 15 0.6223 0.0016 . . . . . 15562 2 66 . 1 1 87 87 HIS N N 15 0.6305 0.0092 . . . . . 15562 2 67 . 1 1 88 88 LYS N N 15 0.6049 0.012 . . . . . 15562 2 68 . 1 1 89 89 ILE N N 15 0.6091 0.0158 . . . . . 15562 2 69 . 1 1 91 91 GLU N N 15 0.5867 0.0128 . . . . . 15562 2 70 . 1 1 92 92 ALA N N 15 0.598 0.00556 . . . . . 15562 2 71 . 1 1 93 93 GLU N N 15 0.6063 0.00848 . . . . . 15562 2 72 . 1 1 94 94 ILE N N 15 0.5991 0.00992 . . . . . 15562 2 73 . 1 1 95 95 VAL N N 15 0.5834 0.0101 . . . . . 15562 2 74 . 1 1 96 96 SER N N 15 0.6152 0.00544 . . . . . 15562 2 75 . 1 1 98 98 LEU N N 15 0.6017 0.00405 . . . . . 15562 2 76 . 1 1 100 100 GLY N N 15 0.6011 0.00495 . . . . . 15562 2 77 . 1 1 101 101 ILE N N 15 0.5583 0.00282 . . . . . 15562 2 78 . 1 1 102 102 ALA N N 15 0.5922 0.00365 . . . . . 15562 2 79 . 1 1 103 103 LYS N N 15 0.611 0.00299 . . . . . 15562 2 80 . 1 1 104 104 GLN N N 15 0.5696 0.00362 . . . . . 15562 2 81 . 1 1 105 105 GLN N N 15 0.5601 0.00848 . . . . . 15562 2 82 . 1 1 109 109 ASN N N 15 0.577 0.0164 . . . . . 15562 2 83 . 1 1 112 112 LYS N N 15 0.5854 0.0117 . . . . . 15562 2 84 . 1 1 113 113 ILE N N 15 0.5903 0.00207 . . . . . 15562 2 85 . 1 1 114 114 ILE N N 15 0.5834 0.00474 . . . . . 15562 2 86 . 1 1 115 115 PHE N N 15 0.5679 0.00674 . . . . . 15562 2 87 . 1 1 116 116 GLU N N 15 0.5763 0.00597 . . . . . 15562 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15562 _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 . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600.13 _Heteronucl_T2_list.T2_coherence_type NzHz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details 'CPMG pulse sequence' _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 19 'NMR relaxation' . . . 15562 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 1 $NMRPipe . . 15562 1 2 $SPARKY . . 15562 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 4 4 GLU N N 15 0.2223 0.00856 . . . . . . . 15562 1 2 . 1 1 6 6 GLN N N 15 0.1514 0.00686 . . . . . . . 15562 1 3 . 1 1 7 7 ALA N N 15 0.1671 0.00651 . . . . . . . 15562 1 4 . 1 1 9 9 ARG N N 15 0.1721 0.00511 . . . . . . . 15562 1 5 . 1 1 10 10 GLU N N 15 0.1509 0.00195 . . . . . . . 15562 1 6 . 1 1 11 11 ALA N N 15 0.1695 0.00234 . . . . . . . 15562 1 7 . 1 1 12 12 ARG N N 15 0.1409 0.00151 . . . . . . . 15562 1 8 . 1 1 13 13 LEU N N 15 0.1792 0.00633 . . . . . . . 15562 1 9 . 1 1 15 15 GLN N N 15 0.1726 0.00217 . . . . . . . 15562 1 10 . 1 1 18 18 ASN N N 15 0.1471 0.00237 . . . . . . . 15562 1 11 . 1 1 19 19 ASN N N 15 0.1277 0.00204 . . . . . . . 15562 1 12 . 1 1 22 22 GLY N N 15 0.1537 0.00182 . . . . . . . 15562 1 13 . 1 1 23 23 THR N N 15 0.1895 0.00482 . . . . . . . 15562 1 14 . 1 1 24 24 ASN N N 15 0.1855 0.00841 . . . . . . . 15562 1 15 . 1 1 25 25 GLY N N 15 0.1896 0.00687 . . . . . . . 15562 1 16 . 1 1 26 26 ASP N N 15 0.2034 0.0097 . . . . . . . 15562 1 17 . 1 1 27 27 ARG N N 15 0.21 0.00583 . . . . . . . 15562 1 18 . 1 1 28 28 ASN N N 15 0.1702 0.00519 . . . . . . . 15562 1 19 . 1 1 29 29 SER N N 15 0.1607 0.00473 . . . . . . . 15562 1 20 . 1 1 30 30 GLY N N 15 0.1907 0.00594 . . . . . . . 15562 1 21 . 1 1 32 32 ASN N N 15 0.1856 0.00481 . . . . . . . 15562 1 22 . 1 1 33 33 ASN N N 15 0.1706 0.00342 . . . . . . . 15562 1 23 . 1 1 34 34 GLY N N 15 0.1927 0.00533 . . . . . . . 15562 1 24 . 1 1 35 35 GLY N N 15 0.1642 0.00285 . . . . . . . 15562 1 25 . 1 1 37 37 GLU N N 15 0.1984 0.0117 . . . . . . . 15562 1 26 . 1 1 38 38 ASN N N 15 0.1552 0.0059 . . . . . . . 15562 1 27 . 1 1 39 39 SER N N 15 0.1695 0.00404 . . . . . . . 15562 1 28 . 1 1 40 40 ALA N N 15 0.1662 0.00529 . . . . . . . 15562 1 29 . 1 1 42 42 VAL N N 15 0.108 0.00245 . . . . . . . 15562 1 30 . 1 1 43 43 GLY N N 15 0.09346 4.88E-4 . . . . . . . 15562 1 31 . 1 1 45 45 ALA N N 15 0.07493 7.26E-4 . . . . . . . 15562 1 32 . 1 1 46 46 ILE N N 15 0.058 4.31E-4 . . . . . . . 15562 1 33 . 1 1 47 47 ALA N N 15 0.07888 8.6E-4 . . . . . . . 15562 1 34 . 1 1 48 48 ASN N N 15 0.08747 0.00147 . . . . . . . 15562 1 35 . 1 1 50 50 LEU N N 15 0.07319 0.00147 . . . . . . . 15562 1 36 . 1 1 51 51 GLU N N 15 0.07696 0.00172 . . . . . . . 15562 1 37 . 1 1 53 53 GLN N N 15 0.07366 2.75E-4 . . . . . . . 15562 1 38 . 1 1 54 54 ALA N N 15 0.07677 0.00251 . . . . . . . 15562 1 39 . 1 1 55 55 LEU N N 15 0.07345 2.87E-4 . . . . . . . 15562 1 40 . 1 1 56 56 GLU N N 15 0.08009 0.00102 . . . . . . . 15562 1 41 . 1 1 57 57 ARG N N 15 0.07202 2.28E-4 . . . . . . . 15562 1 42 . 1 1 59 59 SER N N 15 0.07806 3.13E-4 . . . . . . . 15562 1 43 . 1 1 61 61 VAL N N 15 0.0787 8.37E-4 . . . . . . . 15562 1 44 . 1 1 62 62 ALA N N 15 0.0771 0.00292 . . . . . . . 15562 1 45 . 1 1 63 63 LEU N N 15 0.07311 5.13E-4 . . . . . . . 15562 1 46 . 1 1 64 64 VAL N N 15 0.07773 0.00147 . . . . . . . 15562 1 47 . 1 1 65 65 ARG N N 15 0.08395 0.00102 . . . . . . . 15562 1 48 . 1 1 66 66 ARG N N 15 0.06707 0.00105 . . . . . . . 15562 1 49 . 1 1 67 67 ASP N N 15 0.07501 5.86E-4 . . . . . . . 15562 1 50 . 1 1 68 68 ARG N N 15 0.07958 0.00379 . . . . . . . 15562 1 51 . 1 1 69 69 ALA N N 15 0.06369 0.00141 . . . . . . . 15562 1 52 . 1 1 70 70 GLN N N 15 0.07036 1.79E-4 . . . . . . . 15562 1 53 . 1 1 71 71 ALA N N 15 0.07724 0.00117 . . . . . . . 15562 1 54 . 1 1 72 72 VAL N N 15 0.07036 3.64E-4 . . . . . . . 15562 1 55 . 1 1 73 73 GLU N N 15 0.07715 0.00394 . . . . . . . 15562 1 56 . 1 1 74 74 THR N N 15 0.07354 4.98E-4 . . . . . . . 15562 1 57 . 1 1 76 76 LEU N N 15 0.07524 2.14E-4 . . . . . . . 15562 1 58 . 1 1 78 78 LYS N N 15 0.07584 2.73E-4 . . . . . . . 15562 1 59 . 1 1 79 79 LEU N N 15 0.0715 0.00224 . . . . . . . 15562 1 60 . 1 1 81 81 ALA N N 15 0.07253 8.01E-4 . . . . . . . 15562 1 61 . 1 1 82 82 THR N N 15 0.06845 0.00334 . . . . . . . 15562 1 62 . 1 1 83 83 ASN N N 15 0.06359 4.66E-4 . . . . . . . 15562 1 63 . 1 1 84 84 ASN N N 15 0.1149 0.0024 . . . . . . . 15562 1 64 . 1 1 85 85 VAL N N 15 0.1504 0.00319 . . . . . . . 15562 1 65 . 1 1 87 87 HIS N N 15 0.07811 0.00159 . . . . . . . 15562 1 66 . 1 1 88 88 LYS N N 15 0.08033 6.91E-4 . . . . . . . 15562 1 67 . 1 1 89 89 ILE N N 15 0.07827 0.00137 . . . . . . . 15562 1 68 . 1 1 91 91 GLU N N 15 0.0799 0.00107 . . . . . . . 15562 1 69 . 1 1 92 92 ALA N N 15 0.07941 0.00197 . . . . . . . 15562 1 70 . 1 1 93 93 GLU N N 15 0.07057 4.67E-4 . . . . . . . 15562 1 71 . 1 1 94 94 ILE N N 15 0.07444 0.00159 . . . . . . . 15562 1 72 . 1 1 95 95 VAL N N 15 0.09274 0.00162 . . . . . . . 15562 1 73 . 1 1 96 96 SER N N 15 0.07237 3.87E-4 . . . . . . . 15562 1 74 . 1 1 98 98 LEU N N 15 0.08384 0.00128 . . . . . . . 15562 1 75 . 1 1 99 99 ASN N N 15 0.09184 0.00179 . . . . . . . 15562 1 76 . 1 1 100 100 GLY N N 15 0.07837 0.00111 . . . . . . . 15562 1 77 . 1 1 102 102 ALA N N 15 0.08014 0.00468 . . . . . . . 15562 1 78 . 1 1 103 103 LYS N N 15 0.08153 2.69E-4 . . . . . . . 15562 1 79 . 1 1 104 104 GLN N N 15 0.08844 4.64E-4 . . . . . . . 15562 1 80 . 1 1 105 105 GLN N N 15 0.09545 0.00201 . . . . . . . 15562 1 81 . 1 1 108 108 GLN N N 15 0.1257 0.00268 . . . . . . . 15562 1 82 . 1 1 109 109 ASN N N 15 0.1177 0.00265 . . . . . . . 15562 1 83 . 1 1 112 112 LYS N N 15 0.1156 0.00317 . . . . . . . 15562 1 84 . 1 1 113 113 ILE N N 15 0.1446 0.00222 . . . . . . . 15562 1 85 . 1 1 114 114 ILE N N 15 0.1107 0.00148 . . . . . . . 15562 1 86 . 1 1 115 115 PHE N N 15 0.1052 0.00195 . . . . . . . 15562 1 87 . 1 1 116 116 GLU N N 15 0.1097 0.00122 . . . . . . . 15562 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 15562 _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 . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500.13 _Heteronucl_T2_list.T2_coherence_type NzHz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units s-1 _Heteronucl_T2_list.Details 'CPMG pulse sequence' _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 19 'NMR relaxation' . . . 15562 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 1 $NMRPipe . . 15562 2 2 $SPARKY . . 15562 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 4 4 GLU N N 15 0.1854 0.00897 . . . . . . . 15562 2 2 . 1 1 6 6 GLN N N 15 0.1206 0.00217 . . . . . . . 15562 2 3 . 1 1 7 7 ALA N N 15 0.1242 0.00271 . . . . . . . 15562 2 4 . 1 1 9 9 ARG N N 15 0.1368 0.00967 . . . . . . . 15562 2 5 . 1 1 10 10 GLU N N 15 0.1372 0.00505 . . . . . . . 15562 2 6 . 1 1 11 11 ALA N N 15 0.1499 0.00489 . . . . . . . 15562 2 7 . 1 1 12 12 ARG N N 15 0.1505 0.00202 . . . . . . . 15562 2 8 . 1 1 13 13 LEU N N 15 0.1327 0.00507 . . . . . . . 15562 2 9 . 1 1 15 15 GLN N N 15 0.194 0.00596 . . . . . . . 15562 2 10 . 1 1 18 18 ASN N N 15 0.138 0.00209 . . . . . . . 15562 2 11 . 1 1 19 19 ASN N N 15 0.1253 0.00233 . . . . . . . 15562 2 12 . 1 1 22 22 GLY N N 15 0.2061 0.00386 . . . . . . . 15562 2 13 . 1 1 23 23 THR N N 15 0.1149 0.00388 . . . . . . . 15562 2 14 . 1 1 25 25 GLY N N 15 0.1807 0.0146 . . . . . . . 15562 2 15 . 1 1 26 26 ASP N N 15 0.1433 0.00778 . . . . . . . 15562 2 16 . 1 1 27 27 ARG N N 15 0.1182 0.00853 . . . . . . . 15562 2 17 . 1 1 28 28 ASN N N 15 0.1521 0.00446 . . . . . . . 15562 2 18 . 1 1 29 29 SER N N 15 0.1561 0.00365 . . . . . . . 15562 2 19 . 1 1 30 30 GLY N N 15 0.1409 0.00929 . . . . . . . 15562 2 20 . 1 1 31 31 ALA N N 15 0.1374 0.0203 . . . . . . . 15562 2 21 . 1 1 32 32 ASN N N 15 0.1754 0.0042 . . . . . . . 15562 2 22 . 1 1 33 33 ASN N N 15 0.1529 0.00269 . . . . . . . 15562 2 23 . 1 1 34 34 GLY N N 15 0.188 0.00885 . . . . . . . 15562 2 24 . 1 1 35 35 GLY N N 15 0.2243 0.00551 . . . . . . . 15562 2 25 . 1 1 37 37 GLU N N 15 0.134 0.00314 . . . . . . . 15562 2 26 . 1 1 38 38 ASN N N 15 0.1541 0.00311 . . . . . . . 15562 2 27 . 1 1 39 39 SER N N 15 0.1676 0.0041 . . . . . . . 15562 2 28 . 1 1 40 40 ALA N N 15 0.1425 0.00472 . . . . . . . 15562 2 29 . 1 1 42 42 VAL N N 15 0.08395 0.0113 . . . . . . . 15562 2 30 . 1 1 43 43 GLY N N 15 0.0935 0.00107 . . . . . . . 15562 2 31 . 1 1 45 45 ALA N N 15 0.07955 9.58E-4 . . . . . . . 15562 2 32 . 1 1 46 46 ILE N N 15 0.07954 0.00286 . . . . . . . 15562 2 33 . 1 1 47 47 ALA N N 15 0.08989 0.00184 . . . . . . . 15562 2 34 . 1 1 48 48 ASN N N 15 0.0748 0.00407 . . . . . . . 15562 2 35 . 1 1 50 50 LEU N N 15 0.06438 0.00121 . . . . . . . 15562 2 36 . 1 1 51 51 GLU N N 15 0.05812 0.00355 . . . . . . . 15562 2 37 . 1 1 53 53 GLN N N 15 0.07947 8.05E-4 . . . . . . . 15562 2 38 . 1 1 54 54 ALA N N 15 0.06664 0.00592 . . . . . . . 15562 2 39 . 1 1 55 55 LEU N N 15 0.07611 5.32E-4 . . . . . . . 15562 2 40 . 1 1 56 56 GLU N N 15 0.08105 0.00191 . . . . . . . 15562 2 41 . 1 1 57 57 ARG N N 15 0.07151 4.74E-4 . . . . . . . 15562 2 42 . 1 1 58 58 LEU N N 15 0.1393 0.00237 . . . . . . . 15562 2 43 . 1 1 59 59 SER N N 15 0.07779 0.00165 . . . . . . . 15562 2 44 . 1 1 60 60 ARG N N 15 0.1185 0.00749 . . . . . . . 15562 2 45 . 1 1 61 61 VAL N N 15 0.0718 0.00126 . . . . . . . 15562 2 46 . 1 1 63 63 LEU N N 15 0.07846 0.00113 . . . . . . . 15562 2 47 . 1 1 64 64 VAL N N 15 0.07494 0.00304 . . . . . . . 15562 2 48 . 1 1 65 65 ARG N N 15 0.06806 0.00441 . . . . . . . 15562 2 49 . 1 1 66 66 ARG N N 15 0.07122 0.00489 . . . . . . . 15562 2 50 . 1 1 67 67 ASP N N 15 0.08201 8.18E-4 . . . . . . . 15562 2 51 . 1 1 68 68 ARG N N 15 0.0821 0.00432 . . . . . . . 15562 2 52 . 1 1 69 69 ALA N N 15 0.06295 9.94E-4 . . . . . . . 15562 2 53 . 1 1 70 70 GLN N N 15 0.07842 0.0013 . . . . . . . 15562 2 54 . 1 1 71 71 ALA N N 15 0.06215 0.0031 . . . . . . . 15562 2 55 . 1 1 72 72 VAL N N 15 0.07326 0.00156 . . . . . . . 15562 2 56 . 1 1 73 73 GLU N N 15 0.0852 0.00128 . . . . . . . 15562 2 57 . 1 1 74 74 THR N N 15 0.08015 0.0014 . . . . . . . 15562 2 58 . 1 1 76 76 LEU N N 15 0.07503 6.61E-4 . . . . . . . 15562 2 59 . 1 1 78 78 LYS N N 15 0.07669 0.00114 . . . . . . . 15562 2 60 . 1 1 79 79 LEU N N 15 0.0643 0.00346 . . . . . . . 15562 2 61 . 1 1 81 81 ALA N N 15 0.06461 0.00194 . . . . . . . 15562 2 62 . 1 1 82 82 THR N N 15 0.08109 0.0077 . . . . . . . 15562 2 63 . 1 1 83 83 ASN N N 15 0.07549 6.04E-4 . . . . . . . 15562 2 64 . 1 1 84 84 ASN N N 15 0.1251 0.00149 . . . . . . . 15562 2 65 . 1 1 85 85 VAL N N 15 0.1271 0.00535 . . . . . . . 15562 2 66 . 1 1 87 87 HIS N N 15 0.09305 0.00249 . . . . . . . 15562 2 67 . 1 1 88 88 LYS N N 15 0.07581 0.00152 . . . . . . . 15562 2 68 . 1 1 89 89 ILE N N 15 0.09137 0.00241 . . . . . . . 15562 2 69 . 1 1 91 91 GLU N N 15 0.06417 0.00337 . . . . . . . 15562 2 70 . 1 1 92 92 ALA N N 15 0.08815 0.00243 . . . . . . . 15562 2 71 . 1 1 93 93 GLU N N 15 0.07092 0.00115 . . . . . . . 15562 2 72 . 1 1 94 94 ILE N N 15 0.07119 0.002 . . . . . . . 15562 2 73 . 1 1 95 95 VAL N N 15 0.06568 0.00468 . . . . . . . 15562 2 74 . 1 1 96 96 SER N N 15 0.07564 8.46E-4 . . . . . . . 15562 2 75 . 1 1 98 98 LEU N N 15 0.06318 0.00239 . . . . . . . 15562 2 76 . 1 1 100 100 GLY N N 15 0.09728 0.00358 . . . . . . . 15562 2 77 . 1 1 102 102 ALA N N 15 0.08539 0.00634 . . . . . . . 15562 2 78 . 1 1 103 103 LYS N N 15 0.09327 0.00157 . . . . . . . 15562 2 79 . 1 1 104 104 GLN N N 15 0.08882 0.00118 . . . . . . . 15562 2 80 . 1 1 105 105 GLN N N 15 0.09655 0.00213 . . . . . . . 15562 2 81 . 1 1 109 109 ASN N N 15 0.1164 0.00101 . . . . . . . 15562 2 82 . 1 1 112 112 LYS N N 15 0.09021 0.0119 . . . . . . . 15562 2 83 . 1 1 113 113 ILE N N 15 0.1051 0.0147 . . . . . . . 15562 2 84 . 1 1 114 114 ILE N N 15 0.1406 0.00293 . . . . . . . 15562 2 85 . 1 1 115 115 PHE N N 15 0.1214 0.00226 . . . . . . . 15562 2 86 . 1 1 116 116 GLU N N 15 0.08825 0.00657 . . . . . . . 15562 2 stop_ save_ ###################### # Order parameters # ###################### save_order_parameters _Order_parameter_list.Sf_category order_parameters _Order_parameter_list.Sf_framecode order_parameters _Order_parameter_list.Entry_ID 15562 _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 ps _Order_parameter_list.Tau_f_val_units . _Order_parameter_list.Tau_s_val_units ps _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' . . . 15562 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 4 4 GLU N N 15 0.281 0.011 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 2 . 1 1 7 7 ALA N N 15 0.691 0.002 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 3 . 1 1 8 8 ILE N N 15 0.557 0.012 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 4 . 1 1 9 9 ARG N N 15 0.502 0.014 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 5 . 1 1 10 10 GLU N N 15 0.691 0.005 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 6 . 1 1 11 11 ALA N N 15 0.598 0.01 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 7 . 1 1 12 12 ARG N N 15 0.582 0.015 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 8 . 1 1 13 13 LEU N N 15 0.568 0.015 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 9 . 1 1 14 14 ALA N N 15 0.639 0.013 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 10 . 1 1 15 15 GLN N N 15 0.44 0.009 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 11 . 1 1 46 46 ILE N N 15 1 0.008 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 12 . 1 1 47 47 ALA N N 15 0.877 0.008 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 13 . 1 1 48 48 ASN N N 15 0.889 0.011 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 14 . 1 1 50 50 LEU N N 15 0.896 0.006 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 15 . 1 1 51 51 GLU N N 15 0.919 0.009 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 16 . 1 1 53 53 GLN N N 15 0.946 0.016 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 17 . 1 1 54 54 ALA N N 15 0.899 0.009 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 18 . 1 1 55 55 LEU N N 15 0.954 0.005 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 19 . 1 1 56 56 GLU N N 15 0.929 0.006 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 20 . 1 1 57 57 ARG N N 15 1 0.007 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 21 . 1 1 61 61 VAL N N 15 0.918 0.008 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 22 . 1 1 62 62 ALA N N 15 0.929 0.01 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 23 . 1 1 63 63 LEU N N 15 1 0.01 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 24 . 1 1 64 64 VAL N N 15 0.903 0.009 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 25 . 1 1 65 65 ARG N N 15 0.861 0.011 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 26 . 1 1 66 66 ARG N N 15 1 0.011 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 27 . 1 1 67 67 ASP N N 15 0.938 0.009 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 28 . 1 1 68 68 ARG N N 15 0.901 0.008 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 29 . 1 1 69 69 ALA N N 15 1 0.008 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 30 . 1 1 71 71 ALA N N 15 0.983 0.004 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 31 . 1 1 74 74 THR N N 15 0.956 0.009 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 32 . 1 1 79 79 LEU N N 15 1 0.009 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 33 . 1 1 81 81 ALA N N 15 0.89 0.01 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 34 . 1 1 82 82 THR N N 15 1 0.01 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 35 . 1 1 87 87 HIS N N 15 0.852 0.012 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 36 . 1 1 89 89 ILE N N 15 0.9 0.014 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 37 . 1 1 91 91 GLU N N 15 0.923 0.014 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 38 . 1 1 92 92 ALA N N 15 0.904 0.011 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 39 . 1 1 93 93 GLU N N 15 1 0.011 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 40 . 1 1 94 94 ILE N N 15 1 0.011 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 41 . 1 1 95 95 VAL N N 15 0.826 0.017 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 42 . 1 1 98 98 LEU N N 15 0.912 0.006 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 43 . 1 1 100 100 GLY N N 15 0.931 0.005 . . . . . . . . . . . . . . . . . . . . . . . 15562 1 stop_ save_