data_25077 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25077 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the PDZ domain and the linker of the Protein Tyrosine phosphatase non-receptor type 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-04 _Entry.Accession_date 2014-07-04 _Entry.Last_release_date 2014-09-19 _Entry.Original_release_date 2014-09-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Pierre Maisonneuve . . . 25077 2 Celia Caillet-Saguy . . . 25077 3 Nicolas Babault . . . 25077 4 Florence Cordier . . . 25077 5 Nicolas wolff . . . 25077 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'NMR of Biomolecules; Institut Pasteur' . 25077 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25077 heteronucl_T1_relaxation 1 25077 heteronucl_T2_relaxation 1 25077 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 25077 '1H chemical shifts' 116 25077 '15N chemical shifts' 116 25077 'T1 relaxation values' 107 25077 'T2 relaxation values' 103 25077 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 1 . . 2014-09-19 2014-07-04 original author . 25077 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID EMBL P29074 . 25077 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25077 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1111/febs.13024 _Citation.PubMed_ID 25158884 _Citation.Full_citation . _Citation.Title 'Regulation of the Catalytic Activity of the Human Phosphatase PTPN4 by Its PDZ Domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full 'The FEBS journal' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1742-4658 _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 . _Citation.Page_last . _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pierre Maisonneuve P. . . 25077 1 2 Celia Caillet-Saguy C. . . 25077 1 3 Bertrand Raynal B. . . 25077 1 4 Bernard Gilquin B. . . 25077 1 5 Alain Chaffotte A. . . 25077 1 6 Javier Perez J. . . 25077 1 7 Sophie Zinn-Justin S. . . 25077 1 8 Muriel Delepierre M. . . 25077 1 9 Henri Buc H. . . 25077 1 10 Florence Cordier F. . . 25077 1 11 Nicolas Wolff N. . . 25077 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Protein Tyrosine Phosphatase' 25077 1 'Intramolecular Regulation' 25077 1 'PDZ Domain' 25077 1 Enzymology 25077 1 'Protein Dynamics' 25077 1 'PDZ Binding Motif' 25077 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25077 _Assembly.ID 1 _Assembly.Name 'PTPN4 PDZ-linker' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'PTPN4 PDZ-linker' 1 $Protein-tyrosine_phosphatase_4 A . yes native no no . . . 25077 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3NFK . . X-ray 1.43 'Structure for the PTPN4 PDZ domain complexed with the C-terminus of a rabies virus G protein.' . 25077 1 yes PDB 3NFL . . X-ray 1.91 'Structure for the PTPN4 PDZ domain complexed with the C-terminus of the GluN2A NMDA receptor subunit.' . 25077 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Protein-tyrosine_phosphatase_4 _Entity.Sf_category entity _Entity.Sf_framecode Protein-tyrosine_phosphatase_4 _Entity.Entry_ID 25077 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Protein-tyrosine_phosphatase_4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSSPEKPTPNGGIPHDNLVL IRMKPDENGRFGFNVKGGYD QKMPVIVSRVAPGTPADLCV PRLNEGDQVVLINGRDIAEH THDQVVLFIKASCERHSGEL MLLVRPNAVYDVVEEKLENE PDFQYIPEKAPLDSVHQDDH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 is a non residue due to TEV cleavage site' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'PDZ-Linker Domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15604.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes EMBL P29074 . PDZ-Linker . . . . . . . . . . . . . . 25077 1 2 no PDB 2CS5 . "Solution Structure Of Pdz Domain Of Protein Tyrosine Phosphatase, Non-Receptor Type 4" . . . . . 77.86 119 97.25 98.17 3.81e-70 . . . . 25077 1 3 no PDB 2VPH . "Crystal Structure Of The Human Protein Tyrosine Phosphatase, Non-Receptor Type 4, Pdz Domain" . . . . . 70.00 100 96.94 96.94 5.31e-61 . . . . 25077 1 4 no PDB 3NFK . "Crystal Structure Of The Ptpn4 Pdz Domain Complexed With The C- Terminus Of A Rabies Virus G Protein" . . . . . 75.71 107 100.00 100.00 4.41e-70 . . . . 25077 1 5 no PDB 3NFL . "Crystal Structure Of The Ptpn4 Pdz Domain Complexed With The C- Terminus Of The Glun2a Nmda Receptor Subunit" . . . . . 75.71 107 100.00 100.00 4.41e-70 . . . . 25077 1 6 no DBJ BAG37355 . "unnamed protein product [Homo sapiens]" . . . . . 99.29 926 100.00 100.00 7.57e-90 . . . . 25077 1 7 no DBJ BAH13435 . "unnamed protein product [Homo sapiens]" . . . . . 99.29 559 100.00 100.00 1.54e-92 . . . . 25077 1 8 no GB AAA36530 . "protein-tyrosine phophatase [Homo sapiens]" . . . . . 99.29 926 100.00 100.00 7.57e-90 . . . . 25077 1 9 no GB AAH10674 . "Protein tyrosine phosphatase, non-receptor type 4 (megakaryocyte) [Homo sapiens]" . . . . . 99.29 926 100.00 100.00 7.57e-90 . . . . 25077 1 10 no GB AAY24016 . "unknown [Homo sapiens]" . . . . . 99.29 303 100.00 100.00 1.08e-95 . . . . 25077 1 11 no GB ADZ15528 . "protein tyrosine phosphatase, non-receptor type 4 (megakaryocyte) [synthetic construct]" . . . . . 99.29 926 100.00 100.00 7.57e-90 . . . . 25077 1 12 no GB AIC49534 . "PTPN4, partial [synthetic construct]" . . . . . 99.29 926 100.00 100.00 7.57e-90 . . . . 25077 1 13 no REF NP_001093949 . "tyrosine-protein phosphatase non-receptor type 4 [Rattus norvegicus]" . . . . . 99.29 926 97.12 99.28 4.07e-87 . . . . 25077 1 14 no REF NP_001253553 . "tyrosine-protein phosphatase non-receptor type 4 [Macaca mulatta]" . . . . . 99.29 926 99.28 99.28 7.28e-89 . . . . 25077 1 15 no REF NP_002821 . "tyrosine-protein phosphatase non-receptor type 4 [Homo sapiens]" . . . . . 99.29 926 100.00 100.00 7.57e-90 . . . . 25077 1 16 no REF XP_002712421 . "PREDICTED: tyrosine-protein phosphatase non-receptor type 4 isoform X2 [Oryctolagus cuniculus]" . . . . . 99.29 926 97.84 99.28 1.31e-87 . . . . 25077 1 17 no REF XP_002749576 . "PREDICTED: tyrosine-protein phosphatase non-receptor type 4 [Callithrix jacchus]" . . . . . 99.29 926 98.56 99.28 7.99e-89 . . . . 25077 1 18 no SP P29074 . "RecName: Full=Tyrosine-protein phosphatase non-receptor type 4; AltName: Full=Protein-tyrosine phosphatase MEG1; Short=MEG; Sho" . . . . . 99.29 926 100.00 100.00 7.57e-90 . . . . 25077 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 2 MET . 25077 1 2 3 SER . 25077 1 3 4 SER . 25077 1 4 5 PRO . 25077 1 5 6 GLU . 25077 1 6 7 LYS . 25077 1 7 8 PRO . 25077 1 8 9 THR . 25077 1 9 10 PRO . 25077 1 10 11 ASN . 25077 1 11 12 GLY . 25077 1 12 13 GLY . 25077 1 13 14 ILE . 25077 1 14 15 PRO . 25077 1 15 16 HIS . 25077 1 16 17 ASP . 25077 1 17 18 ASN . 25077 1 18 19 LEU . 25077 1 19 20 VAL . 25077 1 20 21 LEU . 25077 1 21 22 ILE . 25077 1 22 23 ARG . 25077 1 23 24 MET . 25077 1 24 25 LYS . 25077 1 25 26 PRO . 25077 1 26 27 ASP . 25077 1 27 28 GLU . 25077 1 28 29 ASN . 25077 1 29 30 GLY . 25077 1 30 31 ARG . 25077 1 31 32 PHE . 25077 1 32 33 GLY . 25077 1 33 34 PHE . 25077 1 34 35 ASN . 25077 1 35 36 VAL . 25077 1 36 37 LYS . 25077 1 37 38 GLY . 25077 1 38 39 GLY . 25077 1 39 40 TYR . 25077 1 40 41 ASP . 25077 1 41 42 GLN . 25077 1 42 43 LYS . 25077 1 43 44 MET . 25077 1 44 45 PRO . 25077 1 45 46 VAL . 25077 1 46 47 ILE . 25077 1 47 48 VAL . 25077 1 48 49 SER . 25077 1 49 50 ARG . 25077 1 50 51 VAL . 25077 1 51 52 ALA . 25077 1 52 53 PRO . 25077 1 53 54 GLY . 25077 1 54 55 THR . 25077 1 55 56 PRO . 25077 1 56 57 ALA . 25077 1 57 58 ASP . 25077 1 58 59 LEU . 25077 1 59 60 CYS . 25077 1 60 61 VAL . 25077 1 61 62 PRO . 25077 1 62 63 ARG . 25077 1 63 64 LEU . 25077 1 64 65 ASN . 25077 1 65 66 GLU . 25077 1 66 67 GLY . 25077 1 67 68 ASP . 25077 1 68 69 GLN . 25077 1 69 70 VAL . 25077 1 70 71 VAL . 25077 1 71 72 LEU . 25077 1 72 73 ILE . 25077 1 73 74 ASN . 25077 1 74 75 GLY . 25077 1 75 76 ARG . 25077 1 76 77 ASP . 25077 1 77 78 ILE . 25077 1 78 79 ALA . 25077 1 79 80 GLU . 25077 1 80 81 HIS . 25077 1 81 82 THR . 25077 1 82 83 HIS . 25077 1 83 84 ASP . 25077 1 84 85 GLN . 25077 1 85 86 VAL . 25077 1 86 87 VAL . 25077 1 87 88 LEU . 25077 1 88 89 PHE . 25077 1 89 90 ILE . 25077 1 90 91 LYS . 25077 1 91 92 ALA . 25077 1 92 93 SER . 25077 1 93 94 CYS . 25077 1 94 95 GLU . 25077 1 95 96 ARG . 25077 1 96 97 HIS . 25077 1 97 98 SER . 25077 1 98 99 GLY . 25077 1 99 100 GLU . 25077 1 100 101 LEU . 25077 1 101 102 MET . 25077 1 102 103 LEU . 25077 1 103 104 LEU . 25077 1 104 105 VAL . 25077 1 105 106 ARG . 25077 1 106 107 PRO . 25077 1 107 108 ASN . 25077 1 108 109 ALA . 25077 1 109 110 VAL . 25077 1 110 111 TYR . 25077 1 111 112 ASP . 25077 1 112 113 VAL . 25077 1 113 114 VAL . 25077 1 114 115 GLU . 25077 1 115 116 GLU . 25077 1 116 117 LYS . 25077 1 117 118 LEU . 25077 1 118 119 GLU . 25077 1 119 120 ASN . 25077 1 120 121 GLU . 25077 1 121 122 PRO . 25077 1 122 123 ASP . 25077 1 123 124 PHE . 25077 1 124 125 GLN . 25077 1 125 126 TYR . 25077 1 126 127 ILE . 25077 1 127 128 PRO . 25077 1 128 129 GLU . 25077 1 129 130 LYS . 25077 1 130 131 ALA . 25077 1 131 132 PRO . 25077 1 132 133 LEU . 25077 1 133 134 ASP . 25077 1 134 135 SER . 25077 1 135 136 VAL . 25077 1 136 137 HIS . 25077 1 137 138 GLN . 25077 1 138 139 ASP . 25077 1 139 140 ASP . 25077 1 140 141 HIS . 25077 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 25077 1 . SER 2 2 25077 1 . SER 3 3 25077 1 . PRO 4 4 25077 1 . GLU 5 5 25077 1 . LYS 6 6 25077 1 . PRO 7 7 25077 1 . THR 8 8 25077 1 . PRO 9 9 25077 1 . ASN 10 10 25077 1 . GLY 11 11 25077 1 . GLY 12 12 25077 1 . ILE 13 13 25077 1 . PRO 14 14 25077 1 . HIS 15 15 25077 1 . ASP 16 16 25077 1 . ASN 17 17 25077 1 . LEU 18 18 25077 1 . VAL 19 19 25077 1 . LEU 20 20 25077 1 . ILE 21 21 25077 1 . ARG 22 22 25077 1 . MET 23 23 25077 1 . LYS 24 24 25077 1 . PRO 25 25 25077 1 . ASP 26 26 25077 1 . GLU 27 27 25077 1 . ASN 28 28 25077 1 . GLY 29 29 25077 1 . ARG 30 30 25077 1 . PHE 31 31 25077 1 . GLY 32 32 25077 1 . PHE 33 33 25077 1 . ASN 34 34 25077 1 . VAL 35 35 25077 1 . LYS 36 36 25077 1 . GLY 37 37 25077 1 . GLY 38 38 25077 1 . TYR 39 39 25077 1 . ASP 40 40 25077 1 . GLN 41 41 25077 1 . LYS 42 42 25077 1 . MET 43 43 25077 1 . PRO 44 44 25077 1 . VAL 45 45 25077 1 . ILE 46 46 25077 1 . VAL 47 47 25077 1 . SER 48 48 25077 1 . ARG 49 49 25077 1 . VAL 50 50 25077 1 . ALA 51 51 25077 1 . PRO 52 52 25077 1 . GLY 53 53 25077 1 . THR 54 54 25077 1 . PRO 55 55 25077 1 . ALA 56 56 25077 1 . ASP 57 57 25077 1 . LEU 58 58 25077 1 . CYS 59 59 25077 1 . VAL 60 60 25077 1 . PRO 61 61 25077 1 . ARG 62 62 25077 1 . LEU 63 63 25077 1 . ASN 64 64 25077 1 . GLU 65 65 25077 1 . GLY 66 66 25077 1 . ASP 67 67 25077 1 . GLN 68 68 25077 1 . VAL 69 69 25077 1 . VAL 70 70 25077 1 . LEU 71 71 25077 1 . ILE 72 72 25077 1 . ASN 73 73 25077 1 . GLY 74 74 25077 1 . ARG 75 75 25077 1 . ASP 76 76 25077 1 . ILE 77 77 25077 1 . ALA 78 78 25077 1 . GLU 79 79 25077 1 . HIS 80 80 25077 1 . THR 81 81 25077 1 . HIS 82 82 25077 1 . ASP 83 83 25077 1 . GLN 84 84 25077 1 . VAL 85 85 25077 1 . VAL 86 86 25077 1 . LEU 87 87 25077 1 . PHE 88 88 25077 1 . ILE 89 89 25077 1 . LYS 90 90 25077 1 . ALA 91 91 25077 1 . SER 92 92 25077 1 . CYS 93 93 25077 1 . GLU 94 94 25077 1 . ARG 95 95 25077 1 . HIS 96 96 25077 1 . SER 97 97 25077 1 . GLY 98 98 25077 1 . GLU 99 99 25077 1 . LEU 100 100 25077 1 . MET 101 101 25077 1 . LEU 102 102 25077 1 . LEU 103 103 25077 1 . VAL 104 104 25077 1 . ARG 105 105 25077 1 . PRO 106 106 25077 1 . ASN 107 107 25077 1 . ALA 108 108 25077 1 . VAL 109 109 25077 1 . TYR 110 110 25077 1 . ASP 111 111 25077 1 . VAL 112 112 25077 1 . VAL 113 113 25077 1 . GLU 114 114 25077 1 . GLU 115 115 25077 1 . LYS 116 116 25077 1 . LEU 117 117 25077 1 . GLU 118 118 25077 1 . ASN 119 119 25077 1 . GLU 120 120 25077 1 . PRO 121 121 25077 1 . ASP 122 122 25077 1 . PHE 123 123 25077 1 . GLN 124 124 25077 1 . TYR 125 125 25077 1 . ILE 126 126 25077 1 . PRO 127 127 25077 1 . GLU 128 128 25077 1 . LYS 129 129 25077 1 . ALA 130 130 25077 1 . PRO 131 131 25077 1 . LEU 132 132 25077 1 . ASP 133 133 25077 1 . SER 134 134 25077 1 . VAL 135 135 25077 1 . HIS 136 136 25077 1 . GLN 137 137 25077 1 . ASP 138 138 25077 1 . ASP 139 139 25077 1 . HIS 140 140 25077 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25077 _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 $Protein-tyrosine_phosphatase_4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 25077 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 25077 _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 $Protein-tyrosine_phosphatase_4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pDEST15 . . . . . . 25077 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25077 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 0 _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 'Protein-tyrosine phosphatase 4' '[U-100% 13C; U-100% 15N]' . . 1 $Protein-tyrosine_phosphatase_4 . . 450 . . uM . . . . 25077 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 25077 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25077 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 25077 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25077 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25077 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25077 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Protein-tyrosine phosphatase 4' '[U-99% 15N]' . . 1 $Protein-tyrosine_phosphatase_4 . . 326 . . uM . . . . 25077 2 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 25077 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 25077 2 4 TCEP 'natural abundance' . . . . . . 2.5 . . mM . . . . 25077 2 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 25077 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25077 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25077 _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 25077 1 pH 7.5 . pH 25077 1 pressure 1 . atm 25077 1 'ionic strength' 0.2 . M 25077 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 25077 _Sample_condition_list.ID 2 _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 25077 2 pH 7.5 . pH 25077 2 'ionic strength' 0.2 . M 25077 2 pressure 1 . atm 25077 2 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 25077 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 25077 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25077 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25077 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25077 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25077 2 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 25077 _Software.ID 3 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25077 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25077 3 'data analysis' 25077 3 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 25077 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25077 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 25077 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 25077 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25077 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25077 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25077 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25077 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25077 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 25077 _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 external direct 1.000000000 . . . . . . . . . 25077 1 C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 25077 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 25077 1 stop_ save_ save_chemical_shift_reference_2 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_2 _Chem_shift_reference.Entry_ID 25077 _Chem_shift_reference.ID 2 _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 . . . . . . . . . 25077 2 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 25077 2 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 25077 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25077 1 2 '3D HNCO' . . . 25077 1 3 '3D HNCACB' . . . 25077 1 4 '3D CBCA(CO)NH' . . . 25077 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 4 4 PRO CA C 13 63.297 0.000 . 1 . . . . 5 Pro CA . 25077 1 2 . 1 1 4 4 PRO CB C 13 32.053 0.012 . 1 . . . . 5 Pro CB . 25077 1 3 . 1 1 5 5 GLU H H 1 8.410 0.003 . 1 . . . . 6 Glu H . 25077 1 4 . 1 1 5 5 GLU C C 13 176.805 0.000 . 1 . . . . 6 Glu C . 25077 1 5 . 1 1 5 5 GLU CA C 13 56.573 0.013 . 1 . . . . 6 Glu CA . 25077 1 6 . 1 1 5 5 GLU CB C 13 30.220 0.026 . 1 . . . . 6 Glu CB . 25077 1 7 . 1 1 5 5 GLU N N 15 120.765 0.122 . 1 . . . . 6 Glu N . 25077 1 8 . 1 1 6 6 LYS H H 1 8.226 0.001 . 1 . . . . 7 Lys H . 25077 1 9 . 1 1 6 6 LYS C C 13 176.164 0.000 . 1 . . . . 7 Lys C . 25077 1 10 . 1 1 6 6 LYS CA C 13 53.950 0.000 . 1 . . . . 7 Lys CA . 25077 1 11 . 1 1 6 6 LYS CB C 13 32.612 0.000 . 1 . . . . 7 Lys CB . 25077 1 12 . 1 1 6 6 LYS N N 15 123.292 0.021 . 1 . . . . 7 Lys N . 25077 1 13 . 1 1 7 7 PRO CA C 13 62.906 0.000 . 1 . . . . 8 Pro CA . 25077 1 14 . 1 1 7 7 PRO CB C 13 32.100 0.000 . 1 . . . . 8 Pro CB . 25077 1 15 . 1 1 8 8 THR H H 1 8.300 0.001 . 1 . . . . 9 Thr H . 25077 1 16 . 1 1 8 8 THR C C 13 176.794 0.000 . 1 . . . . 9 Thr C . 25077 1 17 . 1 1 8 8 THR CA C 13 59.693 0.000 . 1 . . . . 9 Thr CA . 25077 1 18 . 1 1 8 8 THR CB C 13 69.626 0.000 . 1 . . . . 9 Thr CB . 25077 1 19 . 1 1 8 8 THR N N 15 116.995 0.017 . 1 . . . . 9 Thr N . 25077 1 20 . 1 1 10 10 ASN CA C 13 53.373 0.089 . 1 . . . . 11 Asn CA . 25077 1 21 . 1 1 10 10 ASN CB C 13 38.779 0.092 . 1 . . . . 11 Asn CB . 25077 1 22 . 1 1 11 11 GLY H H 1 8.343 0.003 . 1 . . . . 12 Gly H . 25077 1 23 . 1 1 11 11 GLY C C 13 175.773 0.000 . 1 . . . . 12 Gly C . 25077 1 24 . 1 1 11 11 GLY CA C 13 45.493 0.015 . 1 . . . . 12 Gly CA . 25077 1 25 . 1 1 11 11 GLY N N 15 109.445 0.015 . 1 . . . . 12 Gly N . 25077 1 26 . 1 1 12 12 GLY H H 1 8.162 0.001 . 1 . . . . 13 Gly H . 25077 1 27 . 1 1 12 12 GLY C C 13 174.537 0.000 . 1 . . . . 13 Gly C . 25077 1 28 . 1 1 12 12 GLY CA C 13 44.930 0.009 . 1 . . . . 13 Gly CA . 25077 1 29 . 1 1 12 12 GLY N N 15 108.402 0.004 . 1 . . . . 13 Gly N . 25077 1 30 . 1 1 13 13 ILE H H 1 7.965 0.005 . 1 . . . . 14 Ile H . 25077 1 31 . 1 1 13 13 ILE C C 13 173.593 0.000 . 1 . . . . 14 Ile C . 25077 1 32 . 1 1 13 13 ILE CA C 13 55.337 0.000 . 1 . . . . 14 Ile CA . 25077 1 33 . 1 1 13 13 ILE CB C 13 38.713 0.000 . 1 . . . . 14 Ile CB . 25077 1 34 . 1 1 13 13 ILE N N 15 121.529 0.048 . 1 . . . . 14 Ile N . 25077 1 35 . 1 1 15 15 HIS CA C 13 55.714 0.015 . 1 . . . . 16 His CA . 25077 1 36 . 1 1 15 15 HIS CB C 13 29.657 0.007 . 1 . . . . 16 His CB . 25077 1 37 . 1 1 16 16 ASP H H 1 8.451 0.001 . 1 . . . . 17 Asp H . 25077 1 38 . 1 1 16 16 ASP C C 13 175.274 0.000 . 1 . . . . 17 Asp C . 25077 1 39 . 1 1 16 16 ASP CA C 13 54.277 0.064 . 1 . . . . 17 Asp CA . 25077 1 40 . 1 1 16 16 ASP CB C 13 41.268 0.022 . 1 . . . . 17 Asp CB . 25077 1 41 . 1 1 16 16 ASP N N 15 121.772 0.030 . 1 . . . . 17 Asp N . 25077 1 42 . 1 1 17 17 ASN H H 1 8.428 0.002 . 1 . . . . 18 Asn H . 25077 1 43 . 1 1 17 17 ASN C C 13 175.503 0.000 . 1 . . . . 18 Asn C . 25077 1 44 . 1 1 17 17 ASN CA C 13 53.355 0.025 . 1 . . . . 18 Asn CA . 25077 1 45 . 1 1 17 17 ASN CB C 13 38.611 0.004 . 1 . . . . 18 Asn CB . 25077 1 46 . 1 1 17 17 ASN N N 15 118.594 0.035 . 1 . . . . 18 Asn N . 25077 1 47 . 1 1 18 18 LEU H H 1 7.660 0.001 . 1 . . . . 19 Leu H . 25077 1 48 . 1 1 18 18 LEU C C 13 173.758 0.000 . 1 . . . . 19 Leu C . 25077 1 49 . 1 1 18 18 LEU CA C 13 53.944 0.024 . 1 . . . . 19 Leu CA . 25077 1 50 . 1 1 18 18 LEU CB C 13 43.342 0.006 . 1 . . . . 19 Leu CB . 25077 1 51 . 1 1 18 18 LEU N N 15 119.664 0.023 . 1 . . . . 19 Leu N . 25077 1 52 . 1 1 19 19 VAL H H 1 9.130 0.004 . 1 . . . . 20 Val H . 25077 1 53 . 1 1 19 19 VAL C C 13 176.798 0.000 . 1 . . . . 20 Val C . 25077 1 54 . 1 1 19 19 VAL CA C 13 61.361 0.043 . 1 . . . . 20 Val CA . 25077 1 55 . 1 1 19 19 VAL CB C 13 35.117 0.025 . 1 . . . . 20 Val CB . 25077 1 56 . 1 1 19 19 VAL N N 15 122.045 0.022 . 1 . . . . 20 Val N . 25077 1 57 . 1 1 20 20 LEU H H 1 8.209 0.001 . 1 . . . . 21 Leu H . 25077 1 58 . 1 1 20 20 LEU C C 13 173.721 0.000 . 1 . . . . 21 Leu C . 25077 1 59 . 1 1 20 20 LEU CA C 13 54.191 0.016 . 1 . . . . 21 Leu CA . 25077 1 60 . 1 1 20 20 LEU CB C 13 43.001 0.048 . 1 . . . . 21 Leu CB . 25077 1 61 . 1 1 20 20 LEU N N 15 129.063 0.015 . 1 . . . . 21 Leu N . 25077 1 62 . 1 1 21 21 ILE H H 1 9.318 0.003 . 1 . . . . 22 Ile H . 25077 1 63 . 1 1 21 21 ILE C C 13 175.054 0.000 . 1 . . . . 22 Ile C . 25077 1 64 . 1 1 21 21 ILE CA C 13 59.248 0.021 . 1 . . . . 22 Ile CA . 25077 1 65 . 1 1 21 21 ILE CB C 13 40.081 0.023 . 1 . . . . 22 Ile CB . 25077 1 66 . 1 1 21 21 ILE N N 15 130.238 0.027 . 1 . . . . 22 Ile N . 25077 1 67 . 1 1 22 22 ARG H H 1 8.329 0.001 . 1 . . . . 23 Arg H . 25077 1 68 . 1 1 22 22 ARG C C 13 174.426 0.000 . 1 . . . . 23 Arg C . 25077 1 69 . 1 1 22 22 ARG CA C 13 54.041 0.028 . 1 . . . . 23 Arg CA . 25077 1 70 . 1 1 22 22 ARG CB C 13 33.768 0.033 . 1 . . . . 23 Arg CB . 25077 1 71 . 1 1 22 22 ARG N N 15 125.575 0.024 . 1 . . . . 23 Arg N . 25077 1 72 . 1 1 23 23 MET H H 1 8.809 0.001 . 1 . . . . 24 Met H . 25077 1 73 . 1 1 23 23 MET C C 13 175.265 0.000 . 1 . . . . 24 Met C . 25077 1 74 . 1 1 23 23 MET CA C 13 54.868 0.015 . 1 . . . . 24 Met CA . 25077 1 75 . 1 1 23 23 MET CB C 13 37.561 0.020 . 1 . . . . 24 Met CB . 25077 1 76 . 1 1 23 23 MET N N 15 118.038 0.051 . 1 . . . . 24 Met N . 25077 1 77 . 1 1 24 24 LYS H H 1 8.590 0.002 . 1 . . . . 25 Lys H . 25077 1 78 . 1 1 24 24 LYS C C 13 173.005 0.000 . 1 . . . . 25 Lys C . 25077 1 79 . 1 1 24 24 LYS CA C 13 53.705 0.000 . 1 . . . . 25 Lys CA . 25077 1 80 . 1 1 24 24 LYS CB C 13 33.408 0.000 . 1 . . . . 25 Lys CB . 25077 1 81 . 1 1 24 24 LYS N N 15 122.162 0.015 . 1 . . . . 25 Lys N . 25077 1 82 . 1 1 25 25 PRO CA C 13 62.041 0.088 . 1 . . . . 26 Pro CA . 25077 1 83 . 1 1 25 25 PRO CB C 13 31.288 0.000 . 1 . . . . 26 Pro CB . 25077 1 84 . 1 1 26 26 ASP H H 1 8.240 0.002 . 1 . . . . 27 Asp H . 25077 1 85 . 1 1 26 26 ASP C C 13 176.612 0.000 . 1 . . . . 27 Asp C . 25077 1 86 . 1 1 26 26 ASP CA C 13 52.287 0.026 . 1 . . . . 27 Asp CA . 25077 1 87 . 1 1 26 26 ASP CB C 13 40.730 0.012 . 1 . . . . 27 Asp CB . 25077 1 88 . 1 1 26 26 ASP N N 15 118.344 0.115 . 1 . . . . 27 Asp N . 25077 1 89 . 1 1 27 27 GLU H H 1 9.037 0.002 . 1 . . . . 28 Glu H . 25077 1 90 . 1 1 27 27 GLU C C 13 178.160 0.000 . 1 . . . . 28 Glu C . 25077 1 91 . 1 1 27 27 GLU CA C 13 58.668 0.029 . 1 . . . . 28 Glu CA . 25077 1 92 . 1 1 27 27 GLU CB C 13 28.712 0.013 . 1 . . . . 28 Glu CB . 25077 1 93 . 1 1 27 27 GLU N N 15 117.103 0.019 . 1 . . . . 28 Glu N . 25077 1 94 . 1 1 28 28 ASN H H 1 8.318 0.004 . 1 . . . . 29 Asn H . 25077 1 95 . 1 1 28 28 ASN C C 13 176.685 0.000 . 1 . . . . 29 Asn C . 25077 1 96 . 1 1 28 28 ASN CA C 13 52.767 0.027 . 1 . . . . 29 Asn CA . 25077 1 97 . 1 1 28 28 ASN CB C 13 39.756 0.002 . 1 . . . . 29 Asn CB . 25077 1 98 . 1 1 28 28 ASN N N 15 116.965 0.142 . 1 . . . . 29 Asn N . 25077 1 99 . 1 1 29 29 GLY H H 1 8.190 0.001 . 1 . . . . 30 Gly H . 25077 1 100 . 1 1 29 29 GLY C C 13 175.250 0.000 . 1 . . . . 30 Gly C . 25077 1 101 . 1 1 29 29 GLY CA C 13 46.021 0.022 . 1 . . . . 30 Gly CA . 25077 1 102 . 1 1 29 29 GLY N N 15 108.976 0.020 . 1 . . . . 30 Gly N . 25077 1 103 . 1 1 30 30 ARG H H 1 8.068 0.001 . 1 . . . . 31 Arg H . 25077 1 104 . 1 1 30 30 ARG C C 13 173.221 0.000 . 1 . . . . 31 Arg C . 25077 1 105 . 1 1 30 30 ARG CA C 13 54.915 0.009 . 1 . . . . 31 Arg CA . 25077 1 106 . 1 1 30 30 ARG CB C 13 32.373 0.009 . 1 . . . . 31 Arg CB . 25077 1 107 . 1 1 30 30 ARG N N 15 118.834 0.017 . 1 . . . . 31 Arg N . 25077 1 108 . 1 1 31 31 PHE H H 1 8.671 0.004 . 1 . . . . 32 Phe H . 25077 1 109 . 1 1 31 31 PHE C C 13 176.050 0.000 . 1 . . . . 32 Phe C . 25077 1 110 . 1 1 31 31 PHE CA C 13 59.566 0.042 . 1 . . . . 32 Phe CA . 25077 1 111 . 1 1 31 31 PHE CB C 13 42.562 0.053 . 1 . . . . 32 Phe CB . 25077 1 112 . 1 1 31 31 PHE N N 15 115.977 0.048 . 1 . . . . 32 Phe N . 25077 1 113 . 1 1 32 32 GLY H H 1 8.133 0.003 . 1 . . . . 33 Gly H . 25077 1 114 . 1 1 32 32 GLY C C 13 176.393 0.000 . 1 . . . . 33 Gly C . 25077 1 115 . 1 1 32 32 GLY CA C 13 45.260 0.014 . 1 . . . . 33 Gly CA . 25077 1 116 . 1 1 32 32 GLY N N 15 104.567 0.034 . 1 . . . . 33 Gly N . 25077 1 117 . 1 1 33 33 PHE H H 1 7.018 0.002 . 1 . . . . 34 Phe H . 25077 1 118 . 1 1 33 33 PHE C C 13 173.199 0.000 . 1 . . . . 34 Phe C . 25077 1 119 . 1 1 33 33 PHE CA C 13 53.828 0.017 . 1 . . . . 34 Phe CA . 25077 1 120 . 1 1 33 33 PHE CB C 13 43.227 0.017 . 1 . . . . 34 Phe CB . 25077 1 121 . 1 1 33 33 PHE N N 15 112.339 0.027 . 1 . . . . 34 Phe N . 25077 1 122 . 1 1 34 34 ASN H H 1 8.617 0.002 . 1 . . . . 35 Asn H . 25077 1 123 . 1 1 34 34 ASN C C 13 172.860 0.000 . 1 . . . . 35 Asn C . 25077 1 124 . 1 1 34 34 ASN CA C 13 51.429 0.023 . 1 . . . . 35 Asn CA . 25077 1 125 . 1 1 34 34 ASN CB C 13 42.763 0.023 . 1 . . . . 35 Asn CB . 25077 1 126 . 1 1 34 34 ASN N N 15 118.537 0.010 . 1 . . . . 35 Asn N . 25077 1 127 . 1 1 35 35 VAL H H 1 8.783 0.003 . 1 . . . . 36 Val H . 25077 1 128 . 1 1 35 35 VAL C C 13 174.885 0.000 . 1 . . . . 36 Val C . 25077 1 129 . 1 1 35 35 VAL CA C 13 58.497 0.024 . 1 . . . . 36 Val CA . 25077 1 130 . 1 1 35 35 VAL CB C 13 35.459 0.017 . 1 . . . . 36 Val CB . 25077 1 131 . 1 1 35 35 VAL N N 15 111.563 0.030 . 1 . . . . 36 Val N . 25077 1 132 . 1 1 36 36 LYS H H 1 9.239 0.006 . 1 . . . . 37 Lys H . 25077 1 133 . 1 1 36 36 LYS C C 13 174.847 0.000 . 1 . . . . 37 Lys C . 25077 1 134 . 1 1 36 36 LYS CA C 13 54.157 0.041 . 1 . . . . 37 Lys CA . 25077 1 135 . 1 1 36 36 LYS CB C 13 36.568 0.021 . 1 . . . . 37 Lys CB . 25077 1 136 . 1 1 36 36 LYS N N 15 120.554 0.023 . 1 . . . . 37 Lys N . 25077 1 137 . 1 1 37 37 GLY H H 1 8.008 0.005 . 1 . . . . 38 Gly H . 25077 1 138 . 1 1 37 37 GLY C C 13 174.622 0.000 . 1 . . . . 38 Gly C . 25077 1 139 . 1 1 37 37 GLY CA C 13 44.633 0.003 . 1 . . . . 38 Gly CA . 25077 1 140 . 1 1 37 37 GLY N N 15 106.159 0.042 . 1 . . . . 38 Gly N . 25077 1 141 . 1 1 38 38 GLY H H 1 7.455 0.007 . 1 . . . . 39 Gly H . 25077 1 142 . 1 1 38 38 GLY C C 13 173.376 0.000 . 1 . . . . 39 Gly C . 25077 1 143 . 1 1 38 38 GLY CA C 13 43.376 0.016 . 1 . . . . 39 Gly CA . 25077 1 144 . 1 1 38 38 GLY N N 15 102.143 0.049 . 1 . . . . 39 Gly N . 25077 1 145 . 1 1 39 39 TYR H H 1 8.736 0.001 . 1 . . . . 40 Tyr H . 25077 1 146 . 1 1 39 39 TYR C C 13 175.711 0.000 . 1 . . . . 40 Tyr C . 25077 1 147 . 1 1 39 39 TYR CA C 13 62.036 0.022 . 1 . . . . 40 Tyr CA . 25077 1 148 . 1 1 39 39 TYR CB C 13 39.956 0.023 . 1 . . . . 40 Tyr CB . 25077 1 149 . 1 1 39 39 TYR N N 15 122.040 0.017 . 1 . . . . 40 Tyr N . 25077 1 150 . 1 1 40 40 ASP H H 1 10.053 0.003 . 1 . . . . 41 Asp H . 25077 1 151 . 1 1 40 40 ASP C C 13 178.679 0.000 . 1 . . . . 41 Asp C . 25077 1 152 . 1 1 40 40 ASP CA C 13 54.852 0.020 . 1 . . . . 41 Asp CA . 25077 1 153 . 1 1 40 40 ASP CB C 13 38.203 0.020 . 1 . . . . 41 Asp CB . 25077 1 154 . 1 1 40 40 ASP N N 15 113.501 0.044 . 1 . . . . 41 Asp N . 25077 1 155 . 1 1 41 41 GLN H H 1 7.220 0.001 . 1 . . . . 42 Gln H . 25077 1 156 . 1 1 41 41 GLN C C 13 176.550 0.000 . 1 . . . . 42 Gln C . 25077 1 157 . 1 1 41 41 GLN CA C 13 54.908 0.016 . 1 . . . . 42 Gln CA . 25077 1 158 . 1 1 41 41 GLN CB C 13 29.039 0.024 . 1 . . . . 42 Gln CB . 25077 1 159 . 1 1 41 41 GLN N N 15 117.654 0.013 . 1 . . . . 42 Gln N . 25077 1 160 . 1 1 42 42 LYS H H 1 7.643 0.001 . 1 . . . . 43 Lys H . 25077 1 161 . 1 1 42 42 LYS C C 13 174.438 0.000 . 1 . . . . 43 Lys C . 25077 1 162 . 1 1 42 42 LYS CA C 13 56.536 0.023 . 1 . . . . 43 Lys CA . 25077 1 163 . 1 1 42 42 LYS CB C 13 29.087 0.001 . 1 . . . . 43 Lys CB . 25077 1 164 . 1 1 42 42 LYS N N 15 114.523 0.014 . 1 . . . . 43 Lys N . 25077 1 165 . 1 1 43 43 MET H H 1 7.317 0.002 . 1 . . . . 44 Met H . 25077 1 166 . 1 1 43 43 MET C C 13 174.854 0.000 . 1 . . . . 44 Met C . 25077 1 167 . 1 1 43 43 MET CA C 13 52.837 0.000 . 1 . . . . 44 Met CA . 25077 1 168 . 1 1 43 43 MET CB C 13 36.126 0.000 . 1 . . . . 44 Met CB . 25077 1 169 . 1 1 43 43 MET N N 15 115.091 0.024 . 1 . . . . 44 Met N . 25077 1 170 . 1 1 44 44 PRO CA C 13 62.092 0.011 . 1 . . . . 45 Pro CA . 25077 1 171 . 1 1 44 44 PRO CB C 13 32.239 0.007 . 1 . . . . 45 Pro CB . 25077 1 172 . 1 1 45 45 VAL H H 1 8.459 0.002 . 1 . . . . 46 Val H . 25077 1 173 . 1 1 45 45 VAL C C 13 173.860 0.000 . 1 . . . . 46 Val C . 25077 1 174 . 1 1 45 45 VAL CA C 13 62.597 0.036 . 1 . . . . 46 Val CA . 25077 1 175 . 1 1 45 45 VAL CB C 13 30.597 0.010 . 1 . . . . 46 Val CB . 25077 1 176 . 1 1 45 45 VAL N N 15 119.819 0.019 . 1 . . . . 46 Val N . 25077 1 177 . 1 1 46 46 ILE H H 1 8.666 0.003 . 1 . . . . 47 Ile H . 25077 1 178 . 1 1 46 46 ILE C C 13 175.156 0.000 . 1 . . . . 47 Ile C . 25077 1 179 . 1 1 46 46 ILE CA C 13 57.103 0.033 . 1 . . . . 47 Ile CA . 25077 1 180 . 1 1 46 46 ILE CB C 13 41.311 0.025 . 1 . . . . 47 Ile CB . 25077 1 181 . 1 1 46 46 ILE N N 15 128.318 0.040 . 1 . . . . 47 Ile N . 25077 1 182 . 1 1 47 47 VAL H H 1 8.850 0.005 . 1 . . . . 48 Val H . 25077 1 183 . 1 1 47 47 VAL C C 13 176.250 0.000 . 1 . . . . 48 Val C . 25077 1 184 . 1 1 47 47 VAL CA C 13 63.793 0.034 . 1 . . . . 48 Val CA . 25077 1 185 . 1 1 47 47 VAL CB C 13 31.308 0.018 . 1 . . . . 48 Val CB . 25077 1 186 . 1 1 47 47 VAL N N 15 124.940 0.028 . 1 . . . . 48 Val N . 25077 1 187 . 1 1 48 48 SER H H 1 9.240 0.001 . 1 . . . . 49 Ser H . 25077 1 188 . 1 1 48 48 SER C C 13 176.029 0.000 . 1 . . . . 49 Ser C . 25077 1 189 . 1 1 48 48 SER CA C 13 58.275 0.028 . 1 . . . . 49 Ser CA . 25077 1 190 . 1 1 48 48 SER CB C 13 64.417 0.041 . 1 . . . . 49 Ser CB . 25077 1 191 . 1 1 48 48 SER N N 15 126.588 0.029 . 1 . . . . 49 Ser N . 25077 1 192 . 1 1 49 49 ARG H H 1 7.237 0.001 . 1 . . . . 50 Arg H . 25077 1 193 . 1 1 49 49 ARG C C 13 174.658 0.000 . 1 . . . . 50 Arg C . 25077 1 194 . 1 1 49 49 ARG CA C 13 56.205 0.016 . 1 . . . . 50 Arg CA . 25077 1 195 . 1 1 49 49 ARG CB C 13 33.824 0.078 . 1 . . . . 50 Arg CB . 25077 1 196 . 1 1 49 49 ARG N N 15 121.765 0.019 . 1 . . . . 50 Arg N . 25077 1 197 . 1 1 50 50 VAL H H 1 9.093 0.001 . 1 . . . . 51 Val H . 25077 1 198 . 1 1 50 50 VAL C C 13 174.292 0.000 . 1 . . . . 51 Val C . 25077 1 199 . 1 1 50 50 VAL CA C 13 62.773 0.044 . 1 . . . . 51 Val CA . 25077 1 200 . 1 1 50 50 VAL CB C 13 34.123 0.013 . 1 . . . . 51 Val CB . 25077 1 201 . 1 1 50 50 VAL N N 15 127.066 0.023 . 1 . . . . 51 Val N . 25077 1 202 . 1 1 51 51 ALA H H 1 8.800 0.003 . 1 . . . . 52 Ala H . 25077 1 203 . 1 1 51 51 ALA C C 13 175.123 0.000 . 1 . . . . 52 Ala C . 25077 1 204 . 1 1 51 51 ALA CA C 13 49.840 0.000 . 1 . . . . 52 Ala CA . 25077 1 205 . 1 1 51 51 ALA CB C 13 18.483 0.000 . 1 . . . . 52 Ala CB . 25077 1 206 . 1 1 51 51 ALA N N 15 131.878 0.021 . 1 . . . . 52 Ala N . 25077 1 207 . 1 1 52 52 PRO CA C 13 63.047 0.035 . 1 . . . . 53 Pro CA . 25077 1 208 . 1 1 52 52 PRO CB C 13 32.030 0.028 . 1 . . . . 53 Pro CB . 25077 1 209 . 1 1 53 53 GLY H H 1 10.460 0.001 . 1 . . . . 54 Gly H . 25077 1 210 . 1 1 53 53 GLY C C 13 178.899 0.000 . 1 . . . . 54 Gly C . 25077 1 211 . 1 1 53 53 GLY CA C 13 45.888 0.006 . 1 . . . . 54 Gly CA . 25077 1 212 . 1 1 53 53 GLY N N 15 112.041 0.011 . 1 . . . . 54 Gly N . 25077 1 213 . 1 1 54 54 THR H H 1 7.157 0.003 . 1 . . . . 55 Thr H . 25077 1 214 . 1 1 54 54 THR C C 13 173.641 0.000 . 1 . . . . 55 Thr C . 25077 1 215 . 1 1 54 54 THR CA C 13 60.625 0.000 . 1 . . . . 55 Thr CA . 25077 1 216 . 1 1 54 54 THR CB C 13 68.134 0.000 . 1 . . . . 55 Thr CB . 25077 1 217 . 1 1 54 54 THR N N 15 111.040 0.022 . 1 . . . . 55 Thr N . 25077 1 218 . 1 1 55 55 PRO CA C 13 66.758 0.016 . 1 . . . . 56 Pro CA . 25077 1 219 . 1 1 55 55 PRO CB C 13 32.562 0.000 . 1 . . . . 56 Pro CB . 25077 1 220 . 1 1 56 56 ALA H H 1 8.054 0.002 . 1 . . . . 57 Ala H . 25077 1 221 . 1 1 56 56 ALA C C 13 178.365 0.000 . 1 . . . . 57 Ala C . 25077 1 222 . 1 1 56 56 ALA CA C 13 54.366 0.029 . 1 . . . . 57 Ala CA . 25077 1 223 . 1 1 56 56 ALA CB C 13 20.450 0.023 . 1 . . . . 57 Ala CB . 25077 1 224 . 1 1 56 56 ALA N N 15 116.698 0.015 . 1 . . . . 57 Ala N . 25077 1 225 . 1 1 57 57 ASP H H 1 7.245 0.001 . 1 . . . . 58 Asp H . 25077 1 226 . 1 1 57 57 ASP C C 13 174.535 0.000 . 1 . . . . 58 Asp C . 25077 1 227 . 1 1 57 57 ASP CA C 13 54.747 0.055 . 1 . . . . 58 Asp CA . 25077 1 228 . 1 1 57 57 ASP CB C 13 45.028 0.010 . 1 . . . . 58 Asp CB . 25077 1 229 . 1 1 57 57 ASP N N 15 112.503 0.025 . 1 . . . . 58 Asp N . 25077 1 230 . 1 1 58 58 LEU H H 1 7.500 0.001 . 1 . . . . 59 Leu H . 25077 1 231 . 1 1 58 58 LEU C C 13 177.694 0.000 . 1 . . . . 59 Leu C . 25077 1 232 . 1 1 58 58 LEU CA C 13 54.876 0.006 . 1 . . . . 59 Leu CA . 25077 1 233 . 1 1 58 58 LEU CB C 13 43.640 0.028 . 1 . . . . 59 Leu CB . 25077 1 234 . 1 1 58 58 LEU N N 15 114.671 0.017 . 1 . . . . 59 Leu N . 25077 1 235 . 1 1 59 59 CYS H H 1 7.613 0.002 . 1 . . . . 60 Cys H . 25077 1 236 . 1 1 59 59 CYS C C 13 177.146 0.000 . 1 . . . . 60 Cys C . 25077 1 237 . 1 1 59 59 CYS CA C 13 56.764 0.028 . 1 . . . . 60 Cys CA . 25077 1 238 . 1 1 59 59 CYS CB C 13 28.298 0.009 . 1 . . . . 60 Cys CB . 25077 1 239 . 1 1 59 59 CYS N N 15 119.408 0.030 . 1 . . . . 60 Cys N . 25077 1 240 . 1 1 60 60 VAL H H 1 7.976 0.001 . 1 . . . . 61 Val H . 25077 1 241 . 1 1 60 60 VAL C C 13 172.315 0.000 . 1 . . . . 61 Val C . 25077 1 242 . 1 1 60 60 VAL CA C 13 59.377 0.000 . 1 . . . . 61 Val CA . 25077 1 243 . 1 1 60 60 VAL CB C 13 34.987 0.000 . 1 . . . . 61 Val CB . 25077 1 244 . 1 1 60 60 VAL N N 15 118.529 0.005 . 1 . . . . 61 Val N . 25077 1 245 . 1 1 61 61 PRO CA C 13 63.203 0.047 . 1 . . . . 62 Pro CA . 25077 1 246 . 1 1 61 61 PRO CB C 13 33.949 0.004 . 1 . . . . 62 Pro CB . 25077 1 247 . 1 1 62 62 ARG H H 1 7.848 0.001 . 1 . . . . 63 Arg H . 25077 1 248 . 1 1 62 62 ARG C C 13 174.049 0.000 . 1 . . . . 63 Arg C . 25077 1 249 . 1 1 62 62 ARG CA C 13 56.712 0.010 . 1 . . . . 63 Arg CA . 25077 1 250 . 1 1 62 62 ARG CB C 13 31.581 0.015 . 1 . . . . 63 Arg CB . 25077 1 251 . 1 1 62 62 ARG N N 15 121.189 0.028 . 1 . . . . 63 Arg N . 25077 1 252 . 1 1 63 63 LEU H H 1 7.016 0.002 . 1 . . . . 64 Leu H . 25077 1 253 . 1 1 63 63 LEU C C 13 175.831 0.000 . 1 . . . . 64 Leu C . 25077 1 254 . 1 1 63 63 LEU CA C 13 54.291 0.055 . 1 . . . . 64 Leu CA . 25077 1 255 . 1 1 63 63 LEU CB C 13 43.903 0.014 . 1 . . . . 64 Leu CB . 25077 1 256 . 1 1 63 63 LEU N N 15 124.873 0.017 . 1 . . . . 64 Leu N . 25077 1 257 . 1 1 64 64 ASN H H 1 8.247 0.004 . 1 . . . . 65 Asn H . 25077 1 258 . 1 1 64 64 ASN C C 13 172.917 0.000 . 1 . . . . 65 Asn C . 25077 1 259 . 1 1 64 64 ASN CA C 13 51.310 0.023 . 1 . . . . 65 Asn CA . 25077 1 260 . 1 1 64 64 ASN CB C 13 41.703 0.006 . 1 . . . . 65 Asn CB . 25077 1 261 . 1 1 64 64 ASN N N 15 120.605 0.079 . 1 . . . . 65 Asn N . 25077 1 262 . 1 1 65 65 GLU H H 1 8.699 0.001 . 1 . . . . 66 Glu H . 25077 1 263 . 1 1 65 65 GLU C C 13 175.504 0.000 . 1 . . . . 66 Glu C . 25077 1 264 . 1 1 65 65 GLU CA C 13 58.255 0.021 . 1 . . . . 66 Glu CA . 25077 1 265 . 1 1 65 65 GLU CB C 13 28.399 0.010 . 1 . . . . 66 Glu CB . 25077 1 266 . 1 1 65 65 GLU N N 15 120.530 0.015 . 1 . . . . 66 Glu N . 25077 1 267 . 1 1 66 66 GLY H H 1 9.178 0.003 . 1 . . . . 67 Gly H . 25077 1 268 . 1 1 66 66 GLY C C 13 177.429 0.000 . 1 . . . . 67 Gly C . 25077 1 269 . 1 1 66 66 GLY CA C 13 44.858 0.014 . 1 . . . . 67 Gly CA . 25077 1 270 . 1 1 66 66 GLY N N 15 113.156 0.018 . 1 . . . . 67 Gly N . 25077 1 271 . 1 1 67 67 ASP H H 1 7.930 0.002 . 1 . . . . 68 Asp H . 25077 1 272 . 1 1 67 67 ASP C C 13 174.059 0.000 . 1 . . . . 68 Asp C . 25077 1 273 . 1 1 67 67 ASP CA C 13 55.688 0.002 . 1 . . . . 68 Asp CA . 25077 1 274 . 1 1 67 67 ASP CB C 13 40.502 0.027 . 1 . . . . 68 Asp CB . 25077 1 275 . 1 1 67 67 ASP N N 15 122.899 0.016 . 1 . . . . 68 Asp N . 25077 1 276 . 1 1 68 68 GLN H H 1 8.445 0.002 . 1 . . . . 69 Gln H . 25077 1 277 . 1 1 68 68 GLN C C 13 175.017 0.000 . 1 . . . . 69 Gln C . 25077 1 278 . 1 1 68 68 GLN CA C 13 53.737 0.032 . 1 . . . . 69 Gln CA . 25077 1 279 . 1 1 68 68 GLN CB C 13 41.194 0.000 . 1 . . . . 69 Gln CB . 25077 1 280 . 1 1 68 68 GLN N N 15 121.161 0.055 . 1 . . . . 69 Gln N . 25077 1 281 . 1 1 69 69 VAL H H 1 8.833 0.002 . 1 . . . . 70 Val H . 25077 1 282 . 1 1 69 69 VAL C C 13 176.170 0.000 . 1 . . . . 70 Val C . 25077 1 283 . 1 1 69 69 VAL CA C 13 63.594 0.032 . 1 . . . . 70 Val CA . 25077 1 284 . 1 1 69 69 VAL CB C 13 32.034 0.000 . 1 . . . . 70 Val CB . 25077 1 285 . 1 1 69 69 VAL N N 15 127.892 0.040 . 1 . . . . 70 Val N . 25077 1 286 . 1 1 70 70 VAL H H 1 8.852 0.002 . 1 . . . . 71 Val H . 25077 1 287 . 1 1 70 70 VAL C C 13 173.597 0.000 . 1 . . . . 71 Val C . 25077 1 288 . 1 1 70 70 VAL CA C 13 64.504 0.024 . 1 . . . . 71 Val CA . 25077 1 289 . 1 1 70 70 VAL CB C 13 33.150 0.037 . 1 . . . . 71 Val CB . 25077 1 290 . 1 1 70 70 VAL N N 15 127.222 0.077 . 1 . . . . 71 Val N . 25077 1 291 . 1 1 71 71 LEU H H 1 7.586 0.002 . 1 . . . . 72 Leu H . 25077 1 292 . 1 1 71 71 LEU C C 13 175.829 0.000 . 1 . . . . 72 Leu C . 25077 1 293 . 1 1 71 71 LEU CA C 13 53.434 0.056 . 1 . . . . 72 Leu CA . 25077 1 294 . 1 1 71 71 LEU CB C 13 46.423 0.028 . 1 . . . . 72 Leu CB . 25077 1 295 . 1 1 71 71 LEU N N 15 114.427 0.033 . 1 . . . . 72 Leu N . 25077 1 296 . 1 1 72 72 ILE H H 1 8.130 0.001 . 1 . . . . 73 Ile H . 25077 1 297 . 1 1 72 72 ILE C C 13 176.771 0.000 . 1 . . . . 73 Ile C . 25077 1 298 . 1 1 72 72 ILE CA C 13 60.757 0.029 . 1 . . . . 73 Ile CA . 25077 1 299 . 1 1 72 72 ILE CB C 13 39.680 0.031 . 1 . . . . 73 Ile CB . 25077 1 300 . 1 1 72 72 ILE N N 15 117.277 0.017 . 1 . . . . 73 Ile N . 25077 1 301 . 1 1 73 73 ASN H H 1 9.941 0.003 . 1 . . . . 74 Asn H . 25077 1 302 . 1 1 73 73 ASN C C 13 175.500 0.000 . 1 . . . . 74 Asn C . 25077 1 303 . 1 1 73 73 ASN CA C 13 54.550 0.018 . 1 . . . . 74 Asn CA . 25077 1 304 . 1 1 73 73 ASN CB C 13 36.926 0.040 . 1 . . . . 74 Asn CB . 25077 1 305 . 1 1 73 73 ASN N N 15 128.559 0.023 . 1 . . . . 74 Asn N . 25077 1 306 . 1 1 74 74 GLY H H 1 8.766 0.007 . 1 . . . . 75 Gly H . 25077 1 307 . 1 1 74 74 GLY C C 13 175.402 0.000 . 1 . . . . 75 Gly C . 25077 1 308 . 1 1 74 74 GLY CA C 13 45.358 0.002 . 1 . . . . 75 Gly CA . 25077 1 309 . 1 1 74 74 GLY N N 15 102.715 0.014 . 1 . . . . 75 Gly N . 25077 1 310 . 1 1 75 75 ARG H H 1 8.065 0.001 . 1 . . . . 76 Arg H . 25077 1 311 . 1 1 75 75 ARG C C 13 172.795 0.000 . 1 . . . . 76 Arg C . 25077 1 312 . 1 1 75 75 ARG CA C 13 54.694 0.030 . 1 . . . . 76 Arg CA . 25077 1 313 . 1 1 75 75 ARG CB C 13 31.809 0.024 . 1 . . . . 76 Arg CB . 25077 1 314 . 1 1 75 75 ARG N N 15 122.258 0.016 . 1 . . . . 76 Arg N . 25077 1 315 . 1 1 76 76 ASP H H 1 8.671 0.001 . 1 . . . . 77 Asp H . 25077 1 316 . 1 1 76 76 ASP C C 13 175.025 0.000 . 1 . . . . 77 Asp C . 25077 1 317 . 1 1 76 76 ASP CA C 13 54.826 0.010 . 1 . . . . 77 Asp CA . 25077 1 318 . 1 1 76 76 ASP CB C 13 41.016 0.036 . 1 . . . . 77 Asp CB . 25077 1 319 . 1 1 76 76 ASP N N 15 125.329 0.026 . 1 . . . . 77 Asp N . 25077 1 320 . 1 1 77 77 ILE H H 1 6.939 0.001 . 1 . . . . 78 Ile H . 25077 1 321 . 1 1 77 77 ILE C C 13 177.907 0.000 . 1 . . . . 78 Ile C . 25077 1 322 . 1 1 77 77 ILE CA C 13 60.192 0.014 . 1 . . . . 78 Ile CA . 25077 1 323 . 1 1 77 77 ILE CB C 13 37.278 0.010 . 1 . . . . 78 Ile CB . 25077 1 324 . 1 1 77 77 ILE N N 15 118.327 0.026 . 1 . . . . 78 Ile N . 25077 1 325 . 1 1 78 78 ALA H H 1 8.406 0.003 . 1 . . . . 79 Ala H . 25077 1 326 . 1 1 78 78 ALA C C 13 177.182 0.000 . 1 . . . . 79 Ala C . 25077 1 327 . 1 1 78 78 ALA CA C 13 55.973 0.059 . 1 . . . . 79 Ala CA . 25077 1 328 . 1 1 78 78 ALA CB C 13 19.276 0.012 . 1 . . . . 79 Ala CB . 25077 1 329 . 1 1 78 78 ALA N N 15 125.308 0.030 . 1 . . . . 79 Ala N . 25077 1 330 . 1 1 79 79 GLU H H 1 8.550 0.002 . 1 . . . . 80 Glu H . 25077 1 331 . 1 1 79 79 GLU C C 13 178.967 0.000 . 1 . . . . 80 Glu C . 25077 1 332 . 1 1 79 79 GLU CA C 13 55.134 0.027 . 1 . . . . 80 Glu CA . 25077 1 333 . 1 1 79 79 GLU CB C 13 28.974 0.014 . 1 . . . . 80 Glu CB . 25077 1 334 . 1 1 79 79 GLU N N 15 113.173 0.059 . 1 . . . . 80 Glu N . 25077 1 335 . 1 1 80 80 HIS H H 1 7.725 0.004 . 1 . . . . 81 His H . 25077 1 336 . 1 1 80 80 HIS C C 13 175.501 0.000 . 1 . . . . 81 His C . 25077 1 337 . 1 1 80 80 HIS CA C 13 56.897 0.059 . 1 . . . . 81 His CA . 25077 1 338 . 1 1 80 80 HIS CB C 13 32.027 0.000 . 1 . . . . 81 His CB . 25077 1 339 . 1 1 80 80 HIS N N 15 119.008 0.023 . 1 . . . . 81 His N . 25077 1 340 . 1 1 81 81 THR H H 1 8.859 0.004 . 1 . . . . 82 Thr H . 25077 1 341 . 1 1 81 81 THR C C 13 176.614 0.000 . 1 . . . . 82 Thr C . 25077 1 342 . 1 1 81 81 THR CA C 13 61.620 0.042 . 1 . . . . 82 Thr CA . 25077 1 343 . 1 1 81 81 THR CB C 13 70.380 0.069 . 1 . . . . 82 Thr CB . 25077 1 344 . 1 1 81 81 THR N N 15 113.958 0.030 . 1 . . . . 82 Thr N . 25077 1 345 . 1 1 82 82 HIS H H 1 9.995 0.009 . 1 . . . . 83 His H . 25077 1 346 . 1 1 82 82 HIS C C 13 174.243 0.000 . 1 . . . . 83 His C . 25077 1 347 . 1 1 82 82 HIS CA C 13 61.753 0.045 . 1 . . . . 83 His CA . 25077 1 348 . 1 1 82 82 HIS CB C 13 28.980 0.040 . 1 . . . . 83 His CB . 25077 1 349 . 1 1 82 82 HIS N N 15 121.561 0.083 . 1 . . . . 83 His N . 25077 1 350 . 1 1 83 83 ASP H H 1 9.030 0.010 . 1 . . . . 84 Asp H . 25077 1 351 . 1 1 83 83 ASP C C 13 176.641 0.000 . 1 . . . . 84 Asp C . 25077 1 352 . 1 1 83 83 ASP CA C 13 57.229 0.046 . 1 . . . . 84 Asp CA . 25077 1 353 . 1 1 83 83 ASP CB C 13 40.233 0.052 . 1 . . . . 84 Asp CB . 25077 1 354 . 1 1 83 83 ASP N N 15 115.604 0.077 . 1 . . . . 84 Asp N . 25077 1 355 . 1 1 84 84 GLN H H 1 7.578 0.004 . 1 . . . . 85 Gln H . 25077 1 356 . 1 1 84 84 GLN C C 13 179.083 0.000 . 1 . . . . 85 Gln C . 25077 1 357 . 1 1 84 84 GLN CA C 13 58.550 0.011 . 1 . . . . 85 Gln CA . 25077 1 358 . 1 1 84 84 GLN CB C 13 28.492 0.022 . 1 . . . . 85 Gln CB . 25077 1 359 . 1 1 84 84 GLN N N 15 118.404 0.065 . 1 . . . . 85 Gln N . 25077 1 360 . 1 1 85 85 VAL H H 1 8.410 0.003 . 1 . . . . 86 Val H . 25077 1 361 . 1 1 85 85 VAL C C 13 178.463 0.000 . 1 . . . . 86 Val C . 25077 1 362 . 1 1 85 85 VAL CA C 13 67.732 0.030 . 1 . . . . 86 Val CA . 25077 1 363 . 1 1 85 85 VAL CB C 13 31.131 0.000 . 1 . . . . 86 Val CB . 25077 1 364 . 1 1 85 85 VAL N N 15 120.966 0.038 . 1 . . . . 86 Val N . 25077 1 365 . 1 1 86 86 VAL H H 1 7.828 0.008 . 1 . . . . 87 Val H . 25077 1 366 . 1 1 86 86 VAL C C 13 177.268 0.000 . 1 . . . . 87 Val C . 25077 1 367 . 1 1 86 86 VAL CA C 13 67.114 0.072 . 1 . . . . 87 Val CA . 25077 1 368 . 1 1 86 86 VAL CB C 13 31.613 0.058 . 1 . . . . 87 Val CB . 25077 1 369 . 1 1 86 86 VAL N N 15 118.540 0.031 . 1 . . . . 87 Val N . 25077 1 370 . 1 1 87 87 LEU H H 1 7.739 0.002 . 1 . . . . 88 Leu H . 25077 1 371 . 1 1 87 87 LEU C C 13 179.030 0.000 . 1 . . . . 88 Leu C . 25077 1 372 . 1 1 87 87 LEU CA C 13 57.991 0.002 . 1 . . . . 88 Leu CA . 25077 1 373 . 1 1 87 87 LEU CB C 13 41.329 0.066 . 1 . . . . 88 Leu CB . 25077 1 374 . 1 1 87 87 LEU N N 15 120.089 0.030 . 1 . . . . 88 Leu N . 25077 1 375 . 1 1 88 88 PHE H H 1 8.174 0.003 . 1 . . . . 89 Phe H . 25077 1 376 . 1 1 88 88 PHE C C 13 175.109 0.000 . 1 . . . . 89 Phe C . 25077 1 377 . 1 1 88 88 PHE CA C 13 59.208 0.021 . 1 . . . . 89 Phe CA . 25077 1 378 . 1 1 88 88 PHE CB C 13 38.375 0.032 . 1 . . . . 89 Phe CB . 25077 1 379 . 1 1 88 88 PHE N N 15 120.394 0.069 . 1 . . . . 89 Phe N . 25077 1 380 . 1 1 89 89 ILE H H 1 8.033 0.003 . 1 . . . . 90 Ile H . 25077 1 381 . 1 1 89 89 ILE C C 13 179.253 0.000 . 1 . . . . 90 Ile C . 25077 1 382 . 1 1 89 89 ILE CA C 13 66.182 0.028 . 1 . . . . 90 Ile CA . 25077 1 383 . 1 1 89 89 ILE CB C 13 38.141 0.029 . 1 . . . . 90 Ile CB . 25077 1 384 . 1 1 89 89 ILE N N 15 120.347 0.022 . 1 . . . . 90 Ile N . 25077 1 385 . 1 1 90 90 LYS H H 1 7.868 0.001 . 1 . . . . 91 Lys H . 25077 1 386 . 1 1 90 90 LYS C C 13 177.774 0.000 . 1 . . . . 91 Lys C . 25077 1 387 . 1 1 90 90 LYS CA C 13 58.985 0.030 . 1 . . . . 91 Lys CA . 25077 1 388 . 1 1 90 90 LYS CB C 13 32.846 0.018 . 1 . . . . 91 Lys CB . 25077 1 389 . 1 1 90 90 LYS N N 15 119.029 0.054 . 1 . . . . 91 Lys N . 25077 1 390 . 1 1 91 91 ALA H H 1 8.136 0.008 . 1 . . . . 92 Ala H . 25077 1 391 . 1 1 91 91 ALA C C 13 178.276 0.000 . 1 . . . . 92 Ala C . 25077 1 392 . 1 1 91 91 ALA CA C 13 53.634 0.045 . 1 . . . . 92 Ala CA . 25077 1 393 . 1 1 91 91 ALA CB C 13 18.241 0.001 . 1 . . . . 92 Ala CB . 25077 1 394 . 1 1 91 91 ALA N N 15 121.035 0.061 . 1 . . . . 92 Ala N . 25077 1 395 . 1 1 92 92 SER H H 1 7.985 0.001 . 1 . . . . 93 Ser H . 25077 1 396 . 1 1 92 92 SER N N 15 116.636 0.025 . 1 . . . . 93 Ser N . 25077 1 397 . 1 1 93 93 CYS CA C 13 59.856 0.040 . 1 . . . . 94 Cys CA . 25077 1 398 . 1 1 93 93 CYS CB C 13 27.637 0.010 . 1 . . . . 94 Cys CB . 25077 1 399 . 1 1 94 94 GLU H H 1 7.591 0.008 . 1 . . . . 95 Glu H . 25077 1 400 . 1 1 94 94 GLU C C 13 174.959 0.000 . 1 . . . . 95 Glu C . 25077 1 401 . 1 1 94 94 GLU CA C 13 56.464 0.000 . 1 . . . . 95 Glu CA . 25077 1 402 . 1 1 94 94 GLU CB C 13 30.563 0.000 . 1 . . . . 95 Glu CB . 25077 1 403 . 1 1 94 94 GLU N N 15 119.590 0.025 . 1 . . . . 95 Glu N . 25077 1 404 . 1 1 95 95 ARG H H 1 7.800 0.001 . 1 . . . . 96 Arg H . 25077 1 405 . 1 1 95 95 ARG C C 13 176.758 0.000 . 1 . . . . 96 Arg C . 25077 1 406 . 1 1 95 95 ARG N N 15 119.091 0.021 . 1 . . . . 96 Arg N . 25077 1 407 . 1 1 97 97 SER CA C 13 58.643 0.034 . 1 . . . . 98 Ser CA . 25077 1 408 . 1 1 97 97 SER CB C 13 63.186 0.000 . 1 . . . . 98 Ser CB . 25077 1 409 . 1 1 98 98 GLY H H 1 8.197 0.003 . 1 . . . . 99 Gly H . 25077 1 410 . 1 1 98 98 GLY C C 13 174.745 0.000 . 1 . . . . 99 Gly C . 25077 1 411 . 1 1 98 98 GLY CA C 13 45.571 0.016 . 1 . . . . 99 Gly CA . 25077 1 412 . 1 1 98 98 GLY N N 15 108.919 0.022 . 1 . . . . 99 Gly N . 25077 1 413 . 1 1 99 99 GLU H H 1 7.687 0.001 . 1 . . . . 100 Glu H . 25077 1 414 . 1 1 99 99 GLU C C 13 173.048 0.000 . 1 . . . . 100 Glu C . 25077 1 415 . 1 1 99 99 GLU CA C 13 56.003 0.028 . 1 . . . . 100 Glu CA . 25077 1 416 . 1 1 99 99 GLU CB C 13 32.401 0.014 . 1 . . . . 100 Glu CB . 25077 1 417 . 1 1 99 99 GLU N N 15 117.761 0.013 . 1 . . . . 100 Glu N . 25077 1 418 . 1 1 100 100 LEU H H 1 8.922 0.001 . 1 . . . . 101 Leu H . 25077 1 419 . 1 1 100 100 LEU C C 13 174.798 0.000 . 1 . . . . 101 Leu C . 25077 1 420 . 1 1 100 100 LEU CA C 13 54.096 0.035 . 1 . . . . 101 Leu CA . 25077 1 421 . 1 1 100 100 LEU CB C 13 44.586 0.021 . 1 . . . . 101 Leu CB . 25077 1 422 . 1 1 100 100 LEU N N 15 126.578 0.015 . 1 . . . . 101 Leu N . 25077 1 423 . 1 1 101 101 MET H H 1 8.523 0.004 . 1 . . . . 102 Met H . 25077 1 424 . 1 1 101 101 MET C C 13 174.677 0.000 . 1 . . . . 102 Met C . 25077 1 425 . 1 1 101 101 MET CA C 13 53.608 0.018 . 1 . . . . 102 Met CA . 25077 1 426 . 1 1 101 101 MET CB C 13 35.109 0.011 . 1 . . . . 102 Met CB . 25077 1 427 . 1 1 101 101 MET N N 15 124.712 0.012 . 1 . . . . 102 Met N . 25077 1 428 . 1 1 102 102 LEU H H 1 9.454 0.001 . 1 . . . . 103 Leu H . 25077 1 429 . 1 1 102 102 LEU C C 13 175.078 0.000 . 1 . . . . 103 Leu C . 25077 1 430 . 1 1 102 102 LEU CA C 13 52.660 0.028 . 1 . . . . 103 Leu CA . 25077 1 431 . 1 1 102 102 LEU CB C 13 45.897 0.068 . 1 . . . . 103 Leu CB . 25077 1 432 . 1 1 102 102 LEU N N 15 125.299 0.014 . 1 . . . . 103 Leu N . 25077 1 433 . 1 1 103 103 LEU H H 1 8.364 0.004 . 1 . . . . 104 Leu H . 25077 1 434 . 1 1 103 103 LEU C C 13 174.651 0.000 . 1 . . . . 104 Leu C . 25077 1 435 . 1 1 103 103 LEU CA C 13 54.044 0.041 . 1 . . . . 104 Leu CA . 25077 1 436 . 1 1 103 103 LEU CB C 13 44.024 0.023 . 1 . . . . 104 Leu CB . 25077 1 437 . 1 1 103 103 LEU N N 15 124.672 0.037 . 1 . . . . 104 Leu N . 25077 1 438 . 1 1 104 104 VAL H H 1 9.231 0.003 . 1 . . . . 105 Val H . 25077 1 439 . 1 1 104 104 VAL C C 13 176.437 0.000 . 1 . . . . 105 Val C . 25077 1 440 . 1 1 104 104 VAL CA C 13 58.428 0.019 . 1 . . . . 105 Val CA . 25077 1 441 . 1 1 104 104 VAL CB C 13 35.704 0.021 . 1 . . . . 105 Val CB . 25077 1 442 . 1 1 104 104 VAL N N 15 121.056 0.021 . 1 . . . . 105 Val N . 25077 1 443 . 1 1 105 105 ARG H H 1 9.261 0.002 . 1 . . . . 106 Arg H . 25077 1 444 . 1 1 105 105 ARG C C 13 173.746 0.000 . 1 . . . . 106 Arg C . 25077 1 445 . 1 1 105 105 ARG CA C 13 52.194 0.000 . 1 . . . . 106 Arg CA . 25077 1 446 . 1 1 105 105 ARG CB C 13 32.183 0.000 . 1 . . . . 106 Arg CB . 25077 1 447 . 1 1 105 105 ARG N N 15 124.149 0.019 . 1 . . . . 106 Arg N . 25077 1 448 . 1 1 106 106 PRO CA C 13 62.430 0.040 . 1 . . . . 107 Pro CA . 25077 1 449 . 1 1 106 106 PRO CB C 13 32.771 0.016 . 1 . . . . 107 Pro CB . 25077 1 450 . 1 1 107 107 ASN H H 1 9.054 0.001 . 1 . . . . 108 Asn H . 25077 1 451 . 1 1 107 107 ASN C C 13 176.582 0.000 . 1 . . . . 108 Asn C . 25077 1 452 . 1 1 107 107 ASN CA C 13 53.839 0.034 . 1 . . . . 108 Asn CA . 25077 1 453 . 1 1 107 107 ASN CB C 13 38.645 0.014 . 1 . . . . 108 Asn CB . 25077 1 454 . 1 1 107 107 ASN N N 15 119.865 0.009 . 1 . . . . 108 Asn N . 25077 1 455 . 1 1 108 108 ALA H H 1 7.960 0.001 . 1 . . . . 109 Ala H . 25077 1 456 . 1 1 108 108 ALA C C 13 174.802 0.000 . 1 . . . . 109 Ala C . 25077 1 457 . 1 1 108 108 ALA CA C 13 52.781 0.020 . 1 . . . . 109 Ala CA . 25077 1 458 . 1 1 108 108 ALA CB C 13 19.843 0.008 . 1 . . . . 109 Ala CB . 25077 1 459 . 1 1 108 108 ALA N N 15 124.011 0.012 . 1 . . . . 109 Ala N . 25077 1 460 . 1 1 109 109 VAL H H 1 7.905 0.001 . 1 . . . . 110 Val H . 25077 1 461 . 1 1 109 109 VAL C C 13 177.238 0.000 . 1 . . . . 110 Val C . 25077 1 462 . 1 1 109 109 VAL CA C 13 62.128 0.024 . 1 . . . . 110 Val CA . 25077 1 463 . 1 1 109 109 VAL CB C 13 32.761 0.014 . 1 . . . . 110 Val CB . 25077 1 464 . 1 1 109 109 VAL N N 15 118.367 0.011 . 1 . . . . 110 Val N . 25077 1 465 . 1 1 110 110 TYR H H 1 8.022 0.001 . 1 . . . . 111 Tyr H . 25077 1 466 . 1 1 110 110 TYR C C 13 175.465 0.000 . 1 . . . . 111 Tyr C . 25077 1 467 . 1 1 110 110 TYR CA C 13 57.294 0.015 . 1 . . . . 111 Tyr CA . 25077 1 468 . 1 1 110 110 TYR CB C 13 39.060 0.013 . 1 . . . . 111 Tyr CB . 25077 1 469 . 1 1 110 110 TYR N N 15 123.392 0.007 . 1 . . . . 111 Tyr N . 25077 1 470 . 1 1 111 111 ASP H H 1 8.180 0.000 . 1 . . . . 112 Asp H . 25077 1 471 . 1 1 111 111 ASP C C 13 174.952 0.000 . 1 . . . . 112 Asp C . 25077 1 472 . 1 1 111 111 ASP CA C 13 54.122 0.016 . 1 . . . . 112 Asp CA . 25077 1 473 . 1 1 111 111 ASP CB C 13 41.326 0.015 . 1 . . . . 112 Asp CB . 25077 1 474 . 1 1 111 111 ASP N N 15 122.288 0.013 . 1 . . . . 112 Asp N . 25077 1 475 . 1 1 112 112 VAL H H 1 7.961 0.001 . 1 . . . . 113 Val H . 25077 1 476 . 1 1 112 112 VAL C C 13 175.543 0.000 . 1 . . . . 113 Val C . 25077 1 477 . 1 1 112 112 VAL CA C 13 62.220 0.014 . 1 . . . . 113 Val CA . 25077 1 478 . 1 1 112 112 VAL CB C 13 32.800 0.017 . 1 . . . . 113 Val CB . 25077 1 479 . 1 1 112 112 VAL N N 15 120.648 0.048 . 1 . . . . 113 Val N . 25077 1 480 . 1 1 113 113 VAL H H 1 8.197 0.001 . 1 . . . . 114 Val H . 25077 1 481 . 1 1 113 113 VAL C C 13 175.956 0.000 . 1 . . . . 114 Val C . 25077 1 482 . 1 1 113 113 VAL CA C 13 62.250 0.031 . 1 . . . . 114 Val CA . 25077 1 483 . 1 1 113 113 VAL CB C 13 32.389 0.000 . 1 . . . . 114 Val CB . 25077 1 484 . 1 1 113 113 VAL N N 15 124.952 0.012 . 1 . . . . 114 Val N . 25077 1 485 . 1 1 114 114 GLU H H 1 8.419 0.001 . 1 . . . . 115 Glu H . 25077 1 486 . 1 1 114 114 GLU C C 13 175.927 0.000 . 1 . . . . 115 Glu C . 25077 1 487 . 1 1 114 114 GLU CA C 13 56.376 0.023 . 1 . . . . 115 Glu CA . 25077 1 488 . 1 1 114 114 GLU CB C 13 30.535 0.037 . 1 . . . . 115 Glu CB . 25077 1 489 . 1 1 114 114 GLU N N 15 125.389 0.021 . 1 . . . . 115 Glu N . 25077 1 490 . 1 1 115 115 GLU H H 1 8.390 0.002 . 1 . . . . 116 Glu H . 25077 1 491 . 1 1 115 115 GLU C C 13 176.093 0.000 . 1 . . . . 116 Glu C . 25077 1 492 . 1 1 115 115 GLU CA C 13 56.436 0.019 . 1 . . . . 116 Glu CA . 25077 1 493 . 1 1 115 115 GLU CB C 13 30.465 0.012 . 1 . . . . 116 Glu CB . 25077 1 494 . 1 1 115 115 GLU N N 15 123.151 0.018 . 1 . . . . 116 Glu N . 25077 1 495 . 1 1 116 116 LYS H H 1 8.349 0.002 . 1 . . . . 117 Lys H . 25077 1 496 . 1 1 116 116 LYS C C 13 175.982 0.000 . 1 . . . . 117 Lys C . 25077 1 497 . 1 1 116 116 LYS CA C 13 55.917 0.027 . 1 . . . . 117 Lys CA . 25077 1 498 . 1 1 116 116 LYS CB C 13 32.991 0.005 . 1 . . . . 117 Lys CB . 25077 1 499 . 1 1 116 116 LYS N N 15 123.313 0.055 . 1 . . . . 117 Lys N . 25077 1 500 . 1 1 117 117 LEU H H 1 8.346 0.001 . 1 . . . . 118 Leu H . 25077 1 501 . 1 1 117 117 LEU C C 13 176.189 0.000 . 1 . . . . 118 Leu C . 25077 1 502 . 1 1 117 117 LEU CA C 13 55.032 0.000 . 1 . . . . 118 Leu CA . 25077 1 503 . 1 1 117 117 LEU CB C 13 42.324 0.000 . 1 . . . . 118 Leu CB . 25077 1 504 . 1 1 117 117 LEU N N 15 124.553 0.032 . 1 . . . . 118 Leu N . 25077 1 505 . 1 1 118 118 GLU CA C 13 56.445 0.032 . 1 . . . . 119 Glu CA . 25077 1 506 . 1 1 118 118 GLU CB C 13 30.324 0.004 . 1 . . . . 119 Glu CB . 25077 1 507 . 1 1 119 119 ASN H H 1 8.309 0.001 . 1 . . . . 120 Asn H . 25077 1 508 . 1 1 119 119 ASN C C 13 175.971 0.000 . 1 . . . . 120 Asn C . 25077 1 509 . 1 1 119 119 ASN CA C 13 53.011 0.014 . 1 . . . . 120 Asn CA . 25077 1 510 . 1 1 119 119 ASN CB C 13 39.267 0.006 . 1 . . . . 120 Asn CB . 25077 1 511 . 1 1 119 119 ASN N N 15 118.954 0.017 . 1 . . . . 120 Asn N . 25077 1 512 . 1 1 120 120 GLU H H 1 8.294 0.000 . 1 . . . . 121 Glu H . 25077 1 513 . 1 1 120 120 GLU C C 13 174.730 0.000 . 1 . . . . 121 Glu C . 25077 1 514 . 1 1 120 120 GLU CA C 13 54.563 0.000 . 1 . . . . 121 Glu CA . 25077 1 515 . 1 1 120 120 GLU CB C 13 29.695 0.000 . 1 . . . . 121 Glu CB . 25077 1 516 . 1 1 120 120 GLU N N 15 122.404 0.008 . 1 . . . . 121 Glu N . 25077 1 517 . 1 1 121 121 PRO CA C 13 63.292 0.021 . 1 . . . . 122 Pro CA . 25077 1 518 . 1 1 121 121 PRO CB C 13 32.061 0.010 . 1 . . . . 122 Pro CB . 25077 1 519 . 1 1 122 122 ASP H H 1 8.298 0.000 . 1 . . . . 123 Asp H . 25077 1 520 . 1 1 122 122 ASP C C 13 176.435 0.000 . 1 . . . . 123 Asp C . 25077 1 521 . 1 1 122 122 ASP CA C 13 54.146 0.018 . 1 . . . . 123 Asp CA . 25077 1 522 . 1 1 122 122 ASP CB C 13 41.031 0.016 . 1 . . . . 123 Asp CB . 25077 1 523 . 1 1 122 122 ASP N N 15 119.607 0.011 . 1 . . . . 123 Asp N . 25077 1 524 . 1 1 123 123 PHE H H 1 8.001 0.001 . 1 . . . . 124 Phe H . 25077 1 525 . 1 1 123 123 PHE C C 13 176.015 0.000 . 1 . . . . 124 Phe C . 25077 1 526 . 1 1 123 123 PHE CA C 13 57.900 0.024 . 1 . . . . 124 Phe CA . 25077 1 527 . 1 1 123 123 PHE CB C 13 39.550 0.004 . 1 . . . . 124 Phe CB . 25077 1 528 . 1 1 123 123 PHE N N 15 120.522 0.004 . 1 . . . . 124 Phe N . 25077 1 529 . 1 1 124 124 GLN H H 1 8.055 0.001 . 1 . . . . 125 Gln H . 25077 1 530 . 1 1 124 124 GLN C C 13 175.307 0.000 . 1 . . . . 125 Gln C . 25077 1 531 . 1 1 124 124 GLN CA C 13 55.422 0.015 . 1 . . . . 125 Gln CA . 25077 1 532 . 1 1 124 124 GLN CB C 13 29.644 0.002 . 1 . . . . 125 Gln CB . 25077 1 533 . 1 1 124 124 GLN N N 15 122.050 0.039 . 1 . . . . 125 Gln N . 25077 1 534 . 1 1 125 125 TYR H H 1 8.102 0.001 . 1 . . . . 126 Tyr H . 25077 1 535 . 1 1 125 125 TYR C C 13 174.727 0.000 . 1 . . . . 126 Tyr C . 25077 1 536 . 1 1 125 125 TYR CA C 13 57.846 0.023 . 1 . . . . 126 Tyr CA . 25077 1 537 . 1 1 125 125 TYR CB C 13 38.735 0.036 . 1 . . . . 126 Tyr CB . 25077 1 538 . 1 1 125 125 TYR N N 15 122.330 0.018 . 1 . . . . 126 Tyr N . 25077 1 539 . 1 1 126 126 ILE H H 1 7.937 0.000 . 1 . . . . 127 Ile H . 25077 1 540 . 1 1 126 126 ILE C C 13 174.810 0.000 . 1 . . . . 127 Ile C . 25077 1 541 . 1 1 126 126 ILE CA C 13 56.951 0.000 . 1 . . . . 127 Ile CA . 25077 1 542 . 1 1 126 126 ILE CB C 13 37.366 0.000 . 1 . . . . 127 Ile CB . 25077 1 543 . 1 1 126 126 ILE N N 15 126.765 0.011 . 1 . . . . 127 Ile N . 25077 1 544 . 1 1 127 127 PRO CA C 13 63.012 0.034 . 1 . . . . 128 Pro CA . 25077 1 545 . 1 1 127 127 PRO CB C 13 32.083 0.002 . 1 . . . . 128 Pro CB . 25077 1 546 . 1 1 128 128 GLU H H 1 8.376 0.002 . 1 . . . . 129 Glu H . 25077 1 547 . 1 1 128 128 GLU C C 13 176.755 0.000 . 1 . . . . 129 Glu C . 25077 1 548 . 1 1 128 128 GLU CA C 13 56.638 0.036 . 1 . . . . 129 Glu CA . 25077 1 549 . 1 1 128 128 GLU CB C 13 30.292 0.032 . 1 . . . . 129 Glu CB . 25077 1 550 . 1 1 128 128 GLU N N 15 120.991 0.070 . 1 . . . . 129 Glu N . 25077 1 551 . 1 1 129 129 LYS H H 1 8.228 0.001 . 1 . . . . 130 Lys H . 25077 1 552 . 1 1 129 129 LYS C C 13 176.377 0.000 . 1 . . . . 130 Lys C . 25077 1 553 . 1 1 129 129 LYS CA C 13 55.814 0.022 . 1 . . . . 130 Lys CA . 25077 1 554 . 1 1 129 129 LYS CB C 13 33.199 0.008 . 1 . . . . 130 Lys CB . 25077 1 555 . 1 1 129 129 LYS N N 15 122.495 0.016 . 1 . . . . 130 Lys N . 25077 1 556 . 1 1 130 130 ALA H H 1 8.289 0.001 . 1 . . . . 131 Ala H . 25077 1 557 . 1 1 130 130 ALA C C 13 175.731 0.000 . 1 . . . . 131 Ala C . 25077 1 558 . 1 1 130 130 ALA CA C 13 50.473 0.000 . 1 . . . . 131 Ala CA . 25077 1 559 . 1 1 130 130 ALA CB C 13 18.082 0.000 . 1 . . . . 131 Ala CB . 25077 1 560 . 1 1 130 130 ALA N N 15 127.086 0.013 . 1 . . . . 131 Ala N . 25077 1 561 . 1 1 131 131 PRO CA C 13 62.957 0.024 . 1 . . . . 132 Pro CA . 25077 1 562 . 1 1 131 131 PRO CB C 13 32.015 0.012 . 1 . . . . 132 Pro CB . 25077 1 563 . 1 1 132 132 LEU H H 1 8.297 0.001 . 1 . . . . 133 Leu H . 25077 1 564 . 1 1 132 132 LEU C C 13 177.061 0.000 . 1 . . . . 133 Leu C . 25077 1 565 . 1 1 132 132 LEU CA C 13 55.308 0.000 . 1 . . . . 133 Leu CA . 25077 1 566 . 1 1 132 132 LEU CB C 13 42.318 0.023 . 1 . . . . 133 Leu CB . 25077 1 567 . 1 1 132 132 LEU N N 15 122.105 0.032 . 1 . . . . 133 Leu N . 25077 1 568 . 1 1 133 133 ASP H H 1 8.378 0.003 . 1 . . . . 134 Asp H . 25077 1 569 . 1 1 133 133 ASP C C 13 177.335 0.000 . 1 . . . . 134 Asp C . 25077 1 570 . 1 1 133 133 ASP CA C 13 54.305 0.025 . 1 . . . . 134 Asp CA . 25077 1 571 . 1 1 133 133 ASP CB C 13 41.212 0.072 . 1 . . . . 134 Asp CB . 25077 1 572 . 1 1 133 133 ASP N N 15 121.329 0.021 . 1 . . . . 134 Asp N . 25077 1 573 . 1 1 134 134 SER H H 1 8.097 0.001 . 1 . . . . 135 Ser H . 25077 1 574 . 1 1 134 134 SER C C 13 176.206 0.000 . 1 . . . . 135 Ser C . 25077 1 575 . 1 1 134 134 SER CA C 13 58.324 0.062 . 1 . . . . 135 Ser CA . 25077 1 576 . 1 1 134 134 SER CB C 13 63.762 0.007 . 1 . . . . 135 Ser CB . 25077 1 577 . 1 1 134 134 SER N N 15 115.492 0.011 . 1 . . . . 135 Ser N . 25077 1 578 . 1 1 135 135 VAL H H 1 7.977 0.002 . 1 . . . . 136 Val H . 25077 1 579 . 1 1 135 135 VAL C C 13 174.471 0.000 . 1 . . . . 136 Val C . 25077 1 580 . 1 1 135 135 VAL CA C 13 62.429 0.032 . 1 . . . . 136 Val CA . 25077 1 581 . 1 1 135 135 VAL CB C 13 32.579 0.027 . 1 . . . . 136 Val CB . 25077 1 582 . 1 1 135 135 VAL N N 15 121.146 0.038 . 1 . . . . 136 Val N . 25077 1 583 . 1 1 136 136 HIS H H 1 8.332 0.005 . 1 . . . . 137 His H . 25077 1 584 . 1 1 136 136 HIS C C 13 175.869 0.000 . 1 . . . . 137 His C . 25077 1 585 . 1 1 136 136 HIS CA C 13 53.850 0.000 . 1 . . . . 137 His CA . 25077 1 586 . 1 1 136 136 HIS CB C 13 30.467 0.000 . 1 . . . . 137 His CB . 25077 1 587 . 1 1 136 136 HIS N N 15 123.176 0.135 . 1 . . . . 137 His N . 25077 1 588 . 1 1 138 138 ASP CA C 13 55.340 0.021 . 1 . . . . 139 Asp CA . 25077 1 589 . 1 1 138 138 ASP CB C 13 41.238 0.078 . 1 . . . . 139 Asp CB . 25077 1 590 . 1 1 139 139 ASP H H 1 8.248 0.003 . 1 . . . . 140 Asp H . 25077 1 591 . 1 1 139 139 ASP C C 13 177.274 0.000 . 1 . . . . 140 Asp C . 25077 1 592 . 1 1 139 139 ASP CA C 13 55.303 0.000 . 1 . . . . 140 Asp CA . 25077 1 593 . 1 1 139 139 ASP CB C 13 41.096 0.055 . 1 . . . . 140 Asp CB . 25077 1 594 . 1 1 139 139 ASP N N 15 120.604 0.048 . 1 . . . . 140 Asp N . 25077 1 595 . 1 1 140 140 HIS H H 1 7.817 0.007 . 1 . . . . 141 His H . 25077 1 596 . 1 1 140 140 HIS C C 13 175.153 0.000 . 1 . . . . 141 His C . 25077 1 597 . 1 1 140 140 HIS CA C 13 57.246 0.000 . 1 . . . . 141 His CA . 25077 1 598 . 1 1 140 140 HIS CB C 13 30.288 0.000 . 1 . . . . 141 His CB . 25077 1 599 . 1 1 140 140 HIS N N 15 123.490 0.090 . 1 . . . . 141 His N . 25077 1 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 25077 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 2 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T1_list.Spectrometer_frequency_1H 599.427 _Heteronucl_T1_list.T1_coherence_type Sz _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 5 '2D 1H-15N HSQC' . . . 25077 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 3 $Analysis . . 25077 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 5 5 GLU N N 15 0.63633 0.03477 . . 6 GLU N 25077 1 2 . 1 1 6 6 LYS N N 15 0.60171 0.02741 . . 7 LYS N 25077 1 3 . 1 1 8 8 THR N N 15 0.67141 0.01835 . . 9 THR N 25077 1 4 . 1 1 11 11 GLY N N 15 0.61013 0.02135 . . 12 GLY N 25077 1 5 . 1 1 12 12 GLY N N 15 0.63553 0.01443 . . 13 GLY N 25077 1 6 . 1 1 13 13 ILE N N 15 0.65209 0.01982 . . 14 ILE N 25077 1 7 . 1 1 16 16 ASP N N 15 0.69205 0.03604 . . 17 ASP N 25077 1 8 . 1 1 17 17 ASN N N 15 0.65223 0.02767 . . 18 ASN N 25077 1 9 . 1 1 18 18 LEU N N 15 0.80185 0.01341 . . 19 LEU N 25077 1 10 . 1 1 19 19 VAL N N 15 0.84236 0.00622 . . 20 VAL N 25077 1 11 . 1 1 20 20 LEU N N 15 0.83299 0.01238 . . 21 LEU N 25077 1 12 . 1 1 21 21 ILE N N 15 0.80195 0.01736 . . 22 ILE N 25077 1 13 . 1 1 22 22 ARG N N 15 0.82808 0.01451 . . 23 ARG N 25077 1 14 . 1 1 23 23 MET N N 15 0.80685 0.01329 . . 24 MET N 25077 1 15 . 1 1 24 24 LYS N N 15 0.84257 0.01478 . . 25 LYS N 25077 1 16 . 1 1 26 26 ASP N N 15 0.78100 0.00953 . . 27 ASP N 25077 1 17 . 1 1 27 27 GLU N N 15 0.75873 0.03674 . . 28 GLU N 25077 1 18 . 1 1 30 30 ARG N N 15 0.76971 0.01112 . . 31 ARG N 25077 1 19 . 1 1 31 31 PHE N N 15 0.76193 0.02244 . . 32 PHE N 25077 1 20 . 1 1 32 32 GLY N N 15 0.76338 0.02648 . . 33 GLY N 25077 1 21 . 1 1 33 33 PHE N N 15 0.81209 0.01202 . . 34 PHE N 25077 1 22 . 1 1 34 34 ASN N N 15 0.81133 0.01362 . . 35 ASN N 25077 1 23 . 1 1 35 35 VAL N N 15 0.74605 0.02404 . . 36 VAL N 25077 1 24 . 1 1 36 36 LYS N N 15 0.79624 0.00884 . . 37 LYS N 25077 1 25 . 1 1 37 37 GLY N N 15 0.77028 0.01169 . . 38 GLY N 25077 1 26 . 1 1 38 38 GLY N N 15 0.87134 0.01525 . . 39 GLY N 25077 1 27 . 1 1 39 39 TYR N N 15 0.74343 0.01437 . . 40 TYR N 25077 1 28 . 1 1 40 40 ASP N N 15 0.72643 0.01878 . . 41 ASP N 25077 1 29 . 1 1 41 41 GLN N N 15 0.76723 0.01290 . . 42 GLN N 25077 1 30 . 1 1 42 42 LYS N N 15 0.73911 0.01614 . . 43 LYS N 25077 1 31 . 1 1 43 43 MET N N 15 0.85771 0.01121 . . 44 MET N 25077 1 32 . 1 1 45 45 VAL N N 15 0.85722 0.02472 . . 46 VAL N 25077 1 33 . 1 1 46 46 ILE N N 15 0.78124 0.01365 . . 47 ILE N 25077 1 34 . 1 1 47 47 VAL N N 15 0.83390 0.01610 . . 48 VAL N 25077 1 35 . 1 1 48 48 SER N N 15 0.76757 0.00724 . . 49 SER N 25077 1 36 . 1 1 49 49 ARG N N 15 0.78764 0.00722 . . 50 ARG N 25077 1 37 . 1 1 50 50 VAL N N 15 0.85437 0.00667 . . 51 VAL N 25077 1 38 . 1 1 51 51 ALA N N 15 0.82883 0.00612 . . 52 ALA N 25077 1 39 . 1 1 53 53 GLY N N 15 0.89087 0.00889 . . 54 GLY N 25077 1 40 . 1 1 54 54 THR N N 15 0.81986 0.02328 . . 55 THR N 25077 1 41 . 1 1 56 56 ALA N N 15 0.77569 0.01149 . . 57 ALA N 25077 1 42 . 1 1 57 57 ASP N N 15 0.82210 0.01654 . . 58 ASP N 25077 1 43 . 1 1 58 58 LEU N N 15 0.83979 0.01876 . . 59 LEU N 25077 1 44 . 1 1 59 59 CYS N N 15 0.77134 0.00860 . . 60 CYS N 25077 1 45 . 1 1 60 60 VAL N N 15 0.83982 0.02095 . . 61 VAL N 25077 1 46 . 1 1 62 62 ARG N N 15 0.89224 0.01740 . . 63 ARG N 25077 1 47 . 1 1 63 63 LEU N N 15 0.79739 0.00685 . . 64 LEU N 25077 1 48 . 1 1 64 64 ASN N N 15 0.76091 0.03064 . . 65 ASN N 25077 1 49 . 1 1 65 65 GLU N N 15 0.78494 0.00831 . . 66 GLU N 25077 1 50 . 1 1 66 66 GLY N N 15 0.88940 0.01099 . . 67 GLY N 25077 1 51 . 1 1 67 67 ASP N N 15 0.78744 0.00826 . . 68 ASP N 25077 1 52 . 1 1 68 68 GLN N N 15 0.77677 0.02186 . . 69 GLN N 25077 1 53 . 1 1 69 69 VAL N N 15 0.81236 0.01640 . . 70 VAL N 25077 1 54 . 1 1 70 70 VAL N N 15 0.79910 0.02004 . . 71 VAL N 25077 1 55 . 1 1 71 71 LEU N N 15 0.81158 0.01275 . . 72 LEU N 25077 1 56 . 1 1 72 72 ILE N N 15 0.78217 0.01512 . . 73 ILE N 25077 1 57 . 1 1 73 73 ASN N N 15 0.78564 0.01167 . . 74 ASN N 25077 1 58 . 1 1 74 74 GLY N N 15 0.74569 0.07079 . . 75 GLY N 25077 1 59 . 1 1 76 76 ASP N N 15 0.75738 0.01438 . . 77 ASP N 25077 1 60 . 1 1 77 77 ILE N N 15 0.84523 0.01813 . . 78 ILE N 25077 1 61 . 1 1 78 78 ALA N N 15 0.83264 0.13118 . . 79 ALA N 25077 1 62 . 1 1 79 79 GLU N N 15 0.77602 0.02640 . . 80 GLU N 25077 1 63 . 1 1 80 80 HIS N N 15 0.80105 0.00775 . . 81 HIS N 25077 1 64 . 1 1 81 81 THR N N 15 0.78380 0.01577 . . 82 THR N 25077 1 65 . 1 1 82 82 HIS N N 15 0.76653 0.01118 . . 83 HIS N 25077 1 66 . 1 1 83 83 ASP N N 15 0.74964 0.00945 . . 84 ASP N 25077 1 67 . 1 1 84 84 GLN N N 15 0.75190 0.02433 . . 85 GLN N 25077 1 68 . 1 1 86 86 VAL N N 15 0.76026 0.01701 . . 87 VAL N 25077 1 69 . 1 1 87 87 LEU N N 15 0.76218 0.01226 . . 88 LEU N 25077 1 70 . 1 1 88 88 PHE N N 15 0.72307 0.02260 . . 89 PHE N 25077 1 71 . 1 1 90 90 LYS N N 15 0.77684 0.01191 . . 91 LYS N 25077 1 72 . 1 1 91 91 ALA N N 15 0.75567 0.00929 . . 92 ALA N 25077 1 73 . 1 1 92 92 SER N N 15 0.74209 0.06850 . . 93 SER N 25077 1 74 . 1 1 94 94 GLU N N 15 0.85474 0.05641 . . 95 GLU N 25077 1 75 . 1 1 95 95 ARG N N 15 0.67908 0.02651 . . 96 ARG N 25077 1 76 . 1 1 99 99 GLU N N 15 0.72227 0.01637 . . 100 GLU N 25077 1 77 . 1 1 100 100 LEU N N 15 0.75823 0.01757 . . 101 LEU N 25077 1 78 . 1 1 101 101 MET N N 15 0.79491 0.01460 . . 102 MET N 25077 1 79 . 1 1 102 102 LEU N N 15 0.80375 0.00288 . . 103 LEU N 25077 1 80 . 1 1 104 104 VAL N N 15 0.78023 0.00962 . . 105 VAL N 25077 1 81 . 1 1 105 105 ARG N N 15 0.83759 0.01085 . . 106 ARG N 25077 1 82 . 1 1 107 107 ASN N N 15 0.85384 0.00736 . . 108 ASN N 25077 1 83 . 1 1 108 108 ALA N N 15 0.70760 0.01643 . . 109 ALA N 25077 1 84 . 1 1 109 109 VAL N N 15 0.69644 0.01293 . . 110 VAL N 25077 1 85 . 1 1 110 110 TYR N N 15 0.62511 0.01818 . . 111 TYR N 25077 1 86 . 1 1 111 111 ASP N N 15 0.60640 0.01859 . . 112 ASP N 25077 1 87 . 1 1 112 112 VAL N N 15 0.66226 0.01705 . . 113 VAL N 25077 1 88 . 1 1 113 113 VAL N N 15 0.66981 0.00782 . . 114 VAL N 25077 1 89 . 1 1 114 114 GLU N N 15 0.65567 0.01744 . . 115 GLU N 25077 1 90 . 1 1 115 115 GLU N N 15 0.61024 0.01974 . . 116 GLU N 25077 1 91 . 1 1 116 116 LYS N N 15 0.59848 0.02211 . . 117 LYS N 25077 1 92 . 1 1 117 117 LEU N N 15 0.62177 0.02497 . . 118 LEU N 25077 1 93 . 1 1 119 119 ASN N N 15 0.61261 0.02689 . . 120 ASN N 25077 1 94 . 1 1 120 120 GLU N N 15 0.59304 0.02620 . . 121 GLU N 25077 1 95 . 1 1 122 122 ASP N N 15 0.57793 0.02339 . . 123 ASP N 25077 1 96 . 1 1 123 123 PHE N N 15 0.58621 0.02315 . . 124 PHE N 25077 1 97 . 1 1 124 124 GLN N N 15 0.60600 0.02245 . . 125 GLN N 25077 1 98 . 1 1 125 125 TYR N N 15 0.58781 0.02140 . . 126 TYR N 25077 1 99 . 1 1 126 126 ILE N N 15 0.61335 0.00707 . . 127 ILE N 25077 1 100 . 1 1 128 128 GLU N N 15 0.60552 0.01798 . . 129 GLU N 25077 1 101 . 1 1 129 129 LYS N N 15 0.59984 0.01632 . . 130 LYS N 25077 1 102 . 1 1 130 130 ALA N N 15 0.62194 0.02062 . . 131 ALA N 25077 1 103 . 1 1 132 132 LEU N N 15 0.60066 0.03010 . . 133 LEU N 25077 1 104 . 1 1 133 133 ASP N N 15 0.60087 0.03036 . . 134 ASP N 25077 1 105 . 1 1 134 134 SER N N 15 0.61959 0.03149 . . 135 SER N 25077 1 106 . 1 1 135 135 VAL N N 15 0.63675 0.01726 . . 136 VAL N 25077 1 107 . 1 1 139 139 ASP N N 15 0.76757 0.03360 . . 140 ASP N 25077 1 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 25077 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 2 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_2 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 599.427 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 5 '2D 1H-15N HSQC' . . . 25077 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 3 $Analysis . . 25077 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 5 5 GLU N N 15 0.20669 0.00376 . . . . 6 GLU N 25077 1 2 . 1 1 6 6 LYS N N 15 0.30690 0.00187 . . . . 7 LYS N 25077 1 3 . 1 1 8 8 THR N N 15 0.15262 0.00807 . . . . 9 THR N 25077 1 4 . 1 1 11 11 GLY N N 15 0.19381 0.02955 . . . . 12 GLY N 25077 1 5 . 1 1 12 12 GLY N N 15 0.17547 0.00677 . . . . 13 GLY N 25077 1 6 . 1 1 13 13 ILE N N 15 0.21912 0.01894 . . . . 14 ILE N 25077 1 7 . 1 1 16 16 ASP N N 15 0.40732 0.05430 . . . . 17 ASP N 25077 1 8 . 1 1 17 17 ASN N N 15 0.08624 0.00144 . . . . 18 ASN N 25077 1 9 . 1 1 18 18 LEU N N 15 0.07514 5.88713e-04 . . . . 19 LEU N 25077 1 10 . 1 1 19 19 VAL N N 15 0.04917 0.00151 . . . . 20 VAL N 25077 1 11 . 1 1 20 20 LEU N N 15 0.06618 8.61292e-04 . . . . 21 LEU N 25077 1 12 . 1 1 21 21 ILE N N 15 0.06140 4.36343e-04 . . . . 22 ILE N 25077 1 13 . 1 1 22 22 ARG N N 15 0.07144 0.00323 . . . . 23 ARG N 25077 1 14 . 1 1 23 23 MET N N 15 0.06481 0.00134 . . . . 24 MET N 25077 1 15 . 1 1 24 24 LYS N N 15 0.07657 0.00184 . . . . 25 LYS N 25077 1 16 . 1 1 26 26 ASP N N 15 0.06540 0.00190 . . . . 27 ASP N 25077 1 17 . 1 1 27 27 GLU N N 15 0.06857 5.13968e-04 . . . . 28 GLU N 25077 1 18 . 1 1 29 29 GLY N N 15 0.06235 5.88499e-04 . . . . 30 GLY N 25077 1 19 . 1 1 30 30 ARG N N 15 0.06399 8.16193e-04 . . . . 31 ARG N 25077 1 20 . 1 1 31 31 PHE N N 15 0.06971 9.17740e-04 . . . . 32 PHE N 25077 1 21 . 1 1 32 32 GLY N N 15 0.06433 0.00120 . . . . 33 GLY N 25077 1 22 . 1 1 33 33 PHE N N 15 0.06037 3.63022e-04 . . . . 34 PHE N 25077 1 23 . 1 1 34 34 ASN N N 15 0.05980 0.00106 . . . . 35 ASN N 25077 1 24 . 1 1 35 35 VAL N N 15 0.06368 0.00438 . . . . 36 VAL N 25077 1 25 . 1 1 36 36 LYS N N 15 0.06196 0.00201 . . . . 37 LYS N 25077 1 26 . 1 1 37 37 GLY N N 15 0.07883 0.00780 . . . . 38 GLY N 25077 1 27 . 1 1 38 38 GLY N N 15 0.06209 8.56694e-04 . . . . 39 GLY N 25077 1 28 . 1 1 40 40 ASP N N 15 0.06335 5.18072e-04 . . . . 41 ASP N 25077 1 29 . 1 1 41 41 GLN N N 15 0.07024 0.00226 . . . . 42 GLN N 25077 1 30 . 1 1 42 42 LYS N N 15 0.07579 0.00620 . . . . 43 LYS N 25077 1 31 . 1 1 43 43 MET N N 15 0.08434 0.01470 . . . . 44 MET N 25077 1 32 . 1 1 45 45 VAL N N 15 0.06302 0.00167 . . . . 46 VAL N 25077 1 33 . 1 1 46 46 ILE N N 15 0.06379 3.03513e-04 . . . . 47 ILE N 25077 1 34 . 1 1 47 47 VAL N N 15 0.06701 0.00196 . . . . 48 VAL N 25077 1 35 . 1 1 48 48 SER N N 15 0.05942 0.00287 . . . . 49 SER N 25077 1 36 . 1 1 49 49 ARG N N 15 0.07230 5.03355e-04 . . . . 50 ARG N 25077 1 37 . 1 1 50 50 VAL N N 15 0.07137 0.00159 . . . . 51 VAL N 25077 1 38 . 1 1 51 51 ALA N N 15 0.06230 4.02512e-04 . . . . 52 ALA N 25077 1 39 . 1 1 53 53 GLY N N 15 0.06480 0.00169 . . . . 54 GLY N 25077 1 40 . 1 1 54 54 THR N N 15 0.06529 0.00104 . . . . 55 THR N 25077 1 41 . 1 1 56 56 ALA N N 15 0.05836 5.64936e-04 . . . . 57 ALA N 25077 1 42 . 1 1 57 57 ASP N N 15 0.06964 0.00508 . . . . 58 ASP N 25077 1 43 . 1 1 58 58 LEU N N 15 0.06389 0.00211 . . . . 59 LEU N 25077 1 44 . 1 1 59 59 CYS N N 15 0.07744 0.00566 . . . . 60 CYS N 25077 1 45 . 1 1 60 60 VAL N N 15 0.06398 0.00232 . . . . 61 VAL N 25077 1 46 . 1 1 62 62 ARG N N 15 0.06797 0.00104 . . . . 63 ARG N 25077 1 47 . 1 1 63 63 LEU N N 15 0.06459 0.00272 . . . . 64 LEU N 25077 1 48 . 1 1 65 65 GLU N N 15 0.06967 0.00177 . . . . 66 GLU N 25077 1 49 . 1 1 66 66 GLY N N 15 0.06818 0.00121 . . . . 67 GLY N 25077 1 50 . 1 1 67 67 ASP N N 15 0.06002 0.00116 . . . . 68 ASP N 25077 1 51 . 1 1 69 69 VAL N N 15 0.06398 7.32654e-04 . . . . 70 VAL N 25077 1 52 . 1 1 70 70 VAL N N 15 0.06672 0.00111 . . . . 71 VAL N 25077 1 53 . 1 1 71 71 LEU N N 15 0.06440 6.86731e-04 . . . . 72 LEU N 25077 1 54 . 1 1 72 72 ILE N N 15 0.06505 0.00178 . . . . 73 ILE N 25077 1 55 . 1 1 73 73 ASN N N 15 0.06363 7.51947e-04 . . . . 74 ASN N 25077 1 56 . 1 1 74 74 GLY N N 15 0.06205 0.00442 . . . . 75 GLY N 25077 1 57 . 1 1 76 76 ASP N N 15 0.06168 0.00153 . . . . 77 ASP N 25077 1 58 . 1 1 77 77 ILE N N 15 0.06521 0.00212 . . . . 78 ILE N 25077 1 59 . 1 1 79 79 GLU N N 15 0.06631 2.70494e-04 . . . . 80 GLU N 25077 1 60 . 1 1 81 81 THR N N 15 0.06991 0.00571 . . . . 82 THR N 25077 1 61 . 1 1 82 82 HIS N N 15 0.06234 0.00219 . . . . 83 HIS N 25077 1 62 . 1 1 83 83 ASP N N 15 0.06636 4.62948e-04 . . . . 84 ASP N 25077 1 63 . 1 1 84 84 GLN N N 15 0.05965 0.00171 . . . . 85 GLN N 25077 1 64 . 1 1 86 86 VAL N N 15 0.06213 0.00135 . . . . 87 VAL N 25077 1 65 . 1 1 87 87 LEU N N 15 0.07337 0.00545 . . . . 88 LEU N 25077 1 66 . 1 1 88 88 PHE N N 15 0.07030 0.00132 . . . . 89 PHE N 25077 1 67 . 1 1 90 90 LYS N N 15 0.05665 0.00132 . . . . 91 LYS N 25077 1 68 . 1 1 91 91 ALA N N 15 0.06653 6.54646e-04 . . . . 92 ALA N 25077 1 69 . 1 1 94 94 GLU N N 15 0.07578 0.00462 . . . . 95 GLU N 25077 1 70 . 1 1 95 95 ARG N N 15 0.06840 0.00141 . . . . 96 ARG N 25077 1 71 . 1 1 98 98 GLY N N 15 0.08070 0.01276 . . . . 99 GLY N 25077 1 72 . 1 1 99 99 GLU N N 15 0.08434 4.92186e-04 . . . . 100 GLU N 25077 1 73 . 1 1 100 100 LEU N N 15 0.06822 8.79827e-04 . . . . 101 LEU N 25077 1 74 . 1 1 101 101 MET N N 15 0.06614 0.00251 . . . . 102 MET N 25077 1 75 . 1 1 102 102 LEU N N 15 0.06924 0.00351 . . . . 103 LEU N 25077 1 76 . 1 1 104 104 VAL N N 15 0.06203 1.15491e-04 . . . . 105 VAL N 25077 1 77 . 1 1 105 105 ARG N N 15 0.06380 5.40539e-04 . . . . 106 ARG N 25077 1 78 . 1 1 107 107 ASN N N 15 0.06828 0.00142 . . . . 108 ASN N 25077 1 79 . 1 1 108 108 ALA N N 15 0.09783 0.00464 . . . . 109 ALA N 25077 1 80 . 1 1 109 109 VAL N N 15 0.11201 3.94373e-04 . . . . 110 VAL N 25077 1 81 . 1 1 110 110 TYR N N 15 0.13211 0.00339 . . . . 111 TYR N 25077 1 82 . 1 1 111 111 ASP N N 15 0.14982 0.00230 . . . . 112 ASP N 25077 1 83 . 1 1 112 112 VAL N N 15 0.19416 0.00977 . . . . 113 VAL N 25077 1 84 . 1 1 113 113 VAL N N 15 0.11802 0.00676 . . . . 114 VAL N 25077 1 85 . 1 1 114 114 GLU N N 15 0.12446 0.01019 . . . . 115 GLU N 25077 1 86 . 1 1 115 115 GLU N N 15 0.22270 0.00317 . . . . 116 GLU N 25077 1 87 . 1 1 116 116 LYS N N 15 0.24331 0.01441 . . . . 117 LYS N 25077 1 88 . 1 1 117 117 LEU N N 15 0.22744 0.02009 . . . . 118 LEU N 25077 1 89 . 1 1 119 119 ASN N N 15 0.18865 0.01232 . . . . 120 ASN N 25077 1 90 . 1 1 120 120 GLU N N 15 0.28603 0.01283 . . . . 121 GLU N 25077 1 91 . 1 1 122 122 ASP N N 15 0.21531 0.00435 . . . . 123 ASP N 25077 1 92 . 1 1 123 123 PHE N N 15 0.21971 0.00288 . . . . 124 PHE N 25077 1 93 . 1 1 125 125 TYR N N 15 0.19780 0.00297 . . . . 126 TYR N 25077 1 94 . 1 1 126 126 ILE N N 15 0.25482 0.00777 . . . . 127 ILE N 25077 1 95 . 1 1 128 128 GLU N N 15 0.20093 0.01208 . . . . 129 GLU N 25077 1 96 . 1 1 129 129 LYS N N 15 0.25114 0.00413 . . . . 130 LYS N 25077 1 97 . 1 1 130 130 ALA N N 15 0.30459 0.03334 . . . . 131 ALA N 25077 1 98 . 1 1 132 132 LEU N N 15 0.22670 0.01753 . . . . 133 LEU N 25077 1 99 . 1 1 133 133 ASP N N 15 0.25207 0.02707 . . . . 134 ASP N 25077 1 100 . 1 1 134 134 SER N N 15 0.25145 0.01654 . . . . 135 SER N 25077 1 101 . 1 1 135 135 VAL N N 15 0.31123 0.01974 . . . . 136 VAL N 25077 1 102 . 1 1 139 139 ASP N N 15 0.27693 0.01762 . . . . 140 ASP N 25077 1 103 . 1 1 140 140 HIS N N 15 0.65383 0.02381 . . . . 141 HIS N 25077 1 stop_ save_