data_25231 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25231 _Entry.Title ; 14-3-3 Zeta Backbone Assignment ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-16 _Entry.Accession_date 2014-09-16 _Entry.Last_release_date 2015-04-28 _Entry.Original_release_date 2015-04-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.77 _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 Ryan Killoran . C. . 25231 2 Jingsong Fan . . . 25231 3 Daiwen Yang . . . 25231 4 Wing-Yiu Choy . . . 25231 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25231 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 25231 '15N chemical shifts' 189 25231 '1H chemical shifts' 190 25231 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 . . 2015-04-28 . original BMRB . 25231 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25231 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25909186 _Citation.Full_citation . _Citation.Title ; Structural Analysis of the 14-3-3 zeta /Chibby Interaction Involved in Wnt/ beta-Catenin Signaling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plos One' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e0123934 _Citation.Page_last e0123934 _Citation.Year 2015 _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 Ryan Killoran . C. . 25231 1 2 Jingsong Fan . . . 25231 1 3 Daiwen Yang . . . 25231 1 4 Brian Shilton . H. . 25231 1 5 Wing-Yiu Choy . . . 25231 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25231 _Assembly.ID 1 _Assembly.Name '14-3-3 Zeta' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25231 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25231 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 14-3-3 _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 ; GMDKNELVQKAKLAEQAERY DDMAACMKSVTEQGAELSNE ERNLLSVAYKNVVGARRSSW RVVSSIEQKTEGAEKKQQMA REYREKIETELRDICNDVLS LLEKFLIPNASQAESKVFYL KMKGDYYRYLAEVAAGDDKK GIVDQSQQAYQEAFEISKKE MQPTHPIRLGLALNFSVFYY EILNSPEKACSLAKTAFDEA IAELDTLSEESYKDSTLIMQ LLRDNLTLWTSDTQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 234 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1A37 . "14-3-3 Protein Zeta Bound To Ps-Raf259 Peptide" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 2 no PDB 1A38 . "14-3-3 Protein Zeta Bound To R18 Peptide" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 3 no PDB 1A4O . "14-3-3 Protein Zeta Isoform" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 4 no PDB 1IB1 . "Crystal Structure Of The 14-3-3 Zeta:serotonin N- Acetyltransferase Complex" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 5 no PDB 1QJA . "14-3-3 ZetaPHOSPHOPEPTIDE COMPLEX (MODE 2)" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 6 no PDB 1QJB . "14-3-3 ZetaPHOSPHOPEPTIDE COMPLEX (MODE 1)" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 7 no PDB 2C1J . "Molecular Basis For The Recognition Of Phosphorylated And Phosphoacetylated Histone H3 By 14-3-3" . . . . . 99.57 258 100.00 100.00 7.13e-169 . . . . 25231 1 8 no PDB 2C1N . "Molecular Basis For The Recognition Of Phosphorylated And Phosphoacetylated Histone H3 By 14-3-3" . . . . . 99.57 258 100.00 100.00 7.13e-169 . . . . 25231 1 9 no PDB 2O02 . "Phosphorylation Independent Interactions Between 14-3-3 And Exoenzyme S: From Structure To Pathogenesis" . . . . . 98.29 230 100.00 100.00 3.68e-166 . . . . 25231 1 10 no PDB 2V7D . "14-3-3 Protein Zeta In Complex With Thr758 Phosphorylated Integrin Beta2 Peptide" . . . . . 99.57 247 100.00 100.00 2.79e-168 . . . . 25231 1 11 no PDB 2WH0 . "Recognition Of An Intrachain Tandem 14-3-3 Binding Site Within Protein Kinase C Epsilon" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 12 no PDB 3CU8 . "Impaired Binding Of 14-3-3 To Raf1 Is Linked To Noonan And Leopard Syndrome" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 13 no PDB 3NKX . "Impaired Binding Of 14-3-3 To Raf1 Is Linked To Noonan And Leopard Syndrome" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 14 no PDB 3RDH . "X-Ray Induced Covalent Inhibition Of 14-3-3" . . . . . 99.57 248 100.00 100.00 2.74e-168 . . . . 25231 1 15 no PDB 4BG6 . "14-3-3 Interaction With Rnd3 Prenyl-phosphorylation Motif" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 16 no PDB 4FJ3 . "14-3-3 Isoform Zeta In Complex With A Diphoyphorylated C-raf Peptide" . . . . . 98.29 235 100.00 100.00 4.50e-166 . . . . 25231 1 17 no PDB 4HKC . "14-3-3-zeta In Complex With S1011 Phosphorylated Integrin Alpha-4 Peptide" . . . . . 99.57 250 100.00 100.00 4.00e-168 . . . . 25231 1 18 no PDB 4IHL . "Human 14-3-3 Isoform Zeta In Complex With A Diphoyphorylated C-raf Peptide And Cotylenin A" . . . . . 98.29 235 100.00 100.00 4.50e-166 . . . . 25231 1 19 no PDB 4N7G . "Crystal Structure Of 14-3-3zeta In Complex With A Peptide Derived From Exos" . . . . . 98.29 235 100.00 100.00 4.50e-166 . . . . 25231 1 20 no PDB 4N7Y . "Crystal Structure Of 14-3-3zeta In Complex With A 8-carbon-linker Cyclic Peptide Derived From Exos" . . . . . 98.29 235 100.00 100.00 4.50e-166 . . . . 25231 1 21 no PDB 4N84 . "Crystal Structure Of 14-3-3zeta In Complex With A 12-carbon-linker Cyclic Peptide Derived From Exos" . . . . . 98.72 230 99.57 99.57 9.90e-165 . . . . 25231 1 22 no PDB 4WRQ . "Crystal Structure Of 14-3-3 Zeta With Chibby Peptide" . . . . . 100.00 246 100.00 100.00 2.13e-169 . . . . 25231 1 23 no PDB 4ZDR . "Crystal Structure Of 14-3-3[zeta]-lkb1 Fusion Protein" . . . . . 98.29 266 100.00 100.00 4.11e-166 . . . . 25231 1 24 no DBJ BAA04534 . "14-3-3 protein zeta-subtype [Rattus norvegicus]" . . . . . 99.57 245 99.57 99.57 2.15e-167 . . . . 25231 1 25 no DBJ BAA06402 . "mitochondrial import stimulation factor S1 subunit [Rattus sp.]" . . . . . 99.57 245 99.57 99.57 2.15e-167 . . . . 25231 1 26 no DBJ BAA11464 . "phospholipase A2 [Mus musculus]" . . . . . 99.57 245 99.57 99.57 2.15e-167 . . . . 25231 1 27 no DBJ BAA11751 . "14-3-3 zeta [Mus musculus]" . . . . . 99.57 245 99.14 99.57 1.30e-166 . . . . 25231 1 28 no DBJ BAA13421 . "14-3-3 zeta [Mus musculus]" . . . . . 99.57 245 98.71 99.57 3.81e-166 . . . . 25231 1 29 no EMBL CAG31814 . "hypothetical protein RCJMB04_11l21 [Gallus gallus]" . . . . . 99.57 245 99.14 100.00 5.62e-167 . . . . 25231 1 30 no EMBL CAH92765 . "hypothetical protein [Pongo abelii]" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 31 no GB AAA30514 . "factor activating exoenzyme S [Bos taurus]" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 32 no GB AAA36446 . "phospholipase A2 [Homo sapiens]" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 33 no GB AAA80544 . "14-3-3 zeta isoform [Rattus norvegicus]" . . . . . 99.57 245 99.14 99.14 2.30e-166 . . . . 25231 1 34 no GB AAB22282 . "protein kinase C inhibitor protein-1 zeta isoform, 14-3-3 protein, KCIP-1 [sheep, brain, Peptide, 245 aa]" . . . . . 99.57 245 99.14 99.14 1.93e-166 . . . . 25231 1 35 no GB AAB22943 . "14-3-3 protein zeta chain [cattle, brain, Peptide, 245 aa]" . . . . . 99.57 245 99.57 99.57 4.14e-167 . . . . 25231 1 36 no PRF 2022313B . "14-3-3 Protein:ISOTYPE=zeta" . . . . . 99.57 245 99.57 99.57 2.15e-167 . . . . 25231 1 37 no REF NP_001026514 . "14-3-3 protein zeta [Gallus gallus]" . . . . . 99.57 245 99.14 100.00 5.62e-167 . . . . 25231 1 38 no REF NP_001126612 . "14-3-3 protein zeta/delta [Pongo abelii]" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 39 no REF NP_001129171 . "14-3-3 protein zeta/delta [Homo sapiens]" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 40 no REF NP_001129172 . "14-3-3 protein zeta/delta [Homo sapiens]" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 41 no REF NP_001129173 . "14-3-3 protein zeta/delta [Homo sapiens]" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 42 no SP P29361 . "RecName: Full=14-3-3 protein zeta/delta; AltName: Full=Protein kinase C inhibitor protein 1; Short=KCIP-1" . . . . . 99.57 245 99.14 99.14 1.93e-166 . . . . 25231 1 43 no SP P63101 . "RecName: Full=14-3-3 protein zeta/delta; AltName: Full=Protein kinase C inhibitor protein 1; Short=KCIP-1; AltName: Full=SEZ-2" . . . . . 99.57 245 99.57 99.57 2.15e-167 . . . . 25231 1 44 no SP P63102 . "RecName: Full=14-3-3 protein zeta/delta; AltName: Full=Mitochondrial import stimulation factor S1 subunit; AltName: Full=Protei" . . . . . 99.57 245 99.57 99.57 2.15e-167 . . . . 25231 1 45 no SP P63103 . "RecName: Full=14-3-3 protein zeta/delta; AltName: Full=Factor activating exoenzyme S; Short=FAS; AltName: Full=Protein kinase C" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 46 no SP P63104 . "RecName: Full=14-3-3 protein zeta/delta; AltName: Full=Protein kinase C inhibitor protein 1; Short=KCIP-1" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 1 47 no TPG DAA18059 . "TPA: tyrosine 3/tryptophan 5 -monooxygenase activation protein, zeta polypeptide-like [Bos taurus]" . . . . . 99.57 245 99.57 100.00 1.16e-167 . . . . 25231 1 48 no TPG DAA22580 . "TPA: 14-3-3 protein zeta/delta [Bos taurus]" . . . . . 99.57 245 100.00 100.00 2.87e-168 . . . . 25231 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 0 GLY . 25231 1 2 1 MET . 25231 1 3 2 ASP . 25231 1 4 3 LYS . 25231 1 5 4 ASN . 25231 1 6 5 GLU . 25231 1 7 6 LEU . 25231 1 8 7 VAL . 25231 1 9 8 GLN . 25231 1 10 9 LYS . 25231 1 11 10 ALA . 25231 1 12 11 LYS . 25231 1 13 12 LEU . 25231 1 14 13 ALA . 25231 1 15 14 GLU . 25231 1 16 15 GLN . 25231 1 17 16 ALA . 25231 1 18 17 GLU . 25231 1 19 18 ARG . 25231 1 20 19 TYR . 25231 1 21 20 ASP . 25231 1 22 21 ASP . 25231 1 23 22 MET . 25231 1 24 23 ALA . 25231 1 25 24 ALA . 25231 1 26 25 CYS . 25231 1 27 26 MET . 25231 1 28 27 LYS . 25231 1 29 28 SER . 25231 1 30 29 VAL . 25231 1 31 30 THR . 25231 1 32 31 GLU . 25231 1 33 32 GLN . 25231 1 34 33 GLY . 25231 1 35 34 ALA . 25231 1 36 35 GLU . 25231 1 37 36 LEU . 25231 1 38 37 SER . 25231 1 39 38 ASN . 25231 1 40 39 GLU . 25231 1 41 40 GLU . 25231 1 42 41 ARG . 25231 1 43 42 ASN . 25231 1 44 43 LEU . 25231 1 45 44 LEU . 25231 1 46 45 SER . 25231 1 47 46 VAL . 25231 1 48 47 ALA . 25231 1 49 48 TYR . 25231 1 50 49 LYS . 25231 1 51 50 ASN . 25231 1 52 51 VAL . 25231 1 53 52 VAL . 25231 1 54 53 GLY . 25231 1 55 54 ALA . 25231 1 56 55 ARG . 25231 1 57 56 ARG . 25231 1 58 57 SER . 25231 1 59 58 SER . 25231 1 60 59 TRP . 25231 1 61 60 ARG . 25231 1 62 61 VAL . 25231 1 63 62 VAL . 25231 1 64 63 SER . 25231 1 65 64 SER . 25231 1 66 65 ILE . 25231 1 67 66 GLU . 25231 1 68 67 GLN . 25231 1 69 68 LYS . 25231 1 70 69 THR . 25231 1 71 70 GLU . 25231 1 72 71 GLY . 25231 1 73 72 ALA . 25231 1 74 73 GLU . 25231 1 75 74 LYS . 25231 1 76 75 LYS . 25231 1 77 76 GLN . 25231 1 78 77 GLN . 25231 1 79 78 MET . 25231 1 80 79 ALA . 25231 1 81 80 ARG . 25231 1 82 81 GLU . 25231 1 83 82 TYR . 25231 1 84 83 ARG . 25231 1 85 84 GLU . 25231 1 86 85 LYS . 25231 1 87 86 ILE . 25231 1 88 87 GLU . 25231 1 89 88 THR . 25231 1 90 89 GLU . 25231 1 91 90 LEU . 25231 1 92 91 ARG . 25231 1 93 92 ASP . 25231 1 94 93 ILE . 25231 1 95 94 CYS . 25231 1 96 95 ASN . 25231 1 97 96 ASP . 25231 1 98 97 VAL . 25231 1 99 98 LEU . 25231 1 100 99 SER . 25231 1 101 100 LEU . 25231 1 102 101 LEU . 25231 1 103 102 GLU . 25231 1 104 103 LYS . 25231 1 105 104 PHE . 25231 1 106 105 LEU . 25231 1 107 106 ILE . 25231 1 108 107 PRO . 25231 1 109 108 ASN . 25231 1 110 109 ALA . 25231 1 111 110 SER . 25231 1 112 111 GLN . 25231 1 113 112 ALA . 25231 1 114 113 GLU . 25231 1 115 114 SER . 25231 1 116 115 LYS . 25231 1 117 116 VAL . 25231 1 118 117 PHE . 25231 1 119 118 TYR . 25231 1 120 119 LEU . 25231 1 121 120 LYS . 25231 1 122 121 MET . 25231 1 123 122 LYS . 25231 1 124 123 GLY . 25231 1 125 124 ASP . 25231 1 126 125 TYR . 25231 1 127 126 TYR . 25231 1 128 127 ARG . 25231 1 129 128 TYR . 25231 1 130 129 LEU . 25231 1 131 130 ALA . 25231 1 132 131 GLU . 25231 1 133 132 VAL . 25231 1 134 133 ALA . 25231 1 135 134 ALA . 25231 1 136 135 GLY . 25231 1 137 136 ASP . 25231 1 138 137 ASP . 25231 1 139 138 LYS . 25231 1 140 139 LYS . 25231 1 141 140 GLY . 25231 1 142 141 ILE . 25231 1 143 142 VAL . 25231 1 144 143 ASP . 25231 1 145 144 GLN . 25231 1 146 145 SER . 25231 1 147 146 GLN . 25231 1 148 147 GLN . 25231 1 149 148 ALA . 25231 1 150 149 TYR . 25231 1 151 150 GLN . 25231 1 152 151 GLU . 25231 1 153 152 ALA . 25231 1 154 153 PHE . 25231 1 155 154 GLU . 25231 1 156 155 ILE . 25231 1 157 156 SER . 25231 1 158 157 LYS . 25231 1 159 158 LYS . 25231 1 160 159 GLU . 25231 1 161 160 MET . 25231 1 162 161 GLN . 25231 1 163 162 PRO . 25231 1 164 163 THR . 25231 1 165 164 HIS . 25231 1 166 165 PRO . 25231 1 167 166 ILE . 25231 1 168 167 ARG . 25231 1 169 168 LEU . 25231 1 170 169 GLY . 25231 1 171 170 LEU . 25231 1 172 171 ALA . 25231 1 173 172 LEU . 25231 1 174 173 ASN . 25231 1 175 174 PHE . 25231 1 176 175 SER . 25231 1 177 176 VAL . 25231 1 178 177 PHE . 25231 1 179 178 TYR . 25231 1 180 179 TYR . 25231 1 181 180 GLU . 25231 1 182 181 ILE . 25231 1 183 182 LEU . 25231 1 184 183 ASN . 25231 1 185 184 SER . 25231 1 186 185 PRO . 25231 1 187 186 GLU . 25231 1 188 187 LYS . 25231 1 189 188 ALA . 25231 1 190 189 CYS . 25231 1 191 190 SER . 25231 1 192 191 LEU . 25231 1 193 192 ALA . 25231 1 194 193 LYS . 25231 1 195 194 THR . 25231 1 196 195 ALA . 25231 1 197 196 PHE . 25231 1 198 197 ASP . 25231 1 199 198 GLU . 25231 1 200 199 ALA . 25231 1 201 200 ILE . 25231 1 202 201 ALA . 25231 1 203 202 GLU . 25231 1 204 203 LEU . 25231 1 205 204 ASP . 25231 1 206 205 THR . 25231 1 207 206 LEU . 25231 1 208 207 SER . 25231 1 209 208 GLU . 25231 1 210 209 GLU . 25231 1 211 210 SER . 25231 1 212 211 TYR . 25231 1 213 212 LYS . 25231 1 214 213 ASP . 25231 1 215 214 SER . 25231 1 216 215 THR . 25231 1 217 216 LEU . 25231 1 218 217 ILE . 25231 1 219 218 MET . 25231 1 220 219 GLN . 25231 1 221 220 LEU . 25231 1 222 221 LEU . 25231 1 223 222 ARG . 25231 1 224 223 ASP . 25231 1 225 224 ASN . 25231 1 226 225 LEU . 25231 1 227 226 THR . 25231 1 228 227 LEU . 25231 1 229 228 TRP . 25231 1 230 229 THR . 25231 1 231 230 SER . 25231 1 232 231 ASP . 25231 1 233 232 THR . 25231 1 234 233 GLN . 25231 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 . GLY 1 1 25231 1 . MET 2 2 25231 1 . ASP 3 3 25231 1 . LYS 4 4 25231 1 . ASN 5 5 25231 1 . GLU 6 6 25231 1 . LEU 7 7 25231 1 . VAL 8 8 25231 1 . GLN 9 9 25231 1 . LYS 10 10 25231 1 . ALA 11 11 25231 1 . LYS 12 12 25231 1 . LEU 13 13 25231 1 . ALA 14 14 25231 1 . GLU 15 15 25231 1 . GLN 16 16 25231 1 . ALA 17 17 25231 1 . GLU 18 18 25231 1 . ARG 19 19 25231 1 . TYR 20 20 25231 1 . ASP 21 21 25231 1 . ASP 22 22 25231 1 . MET 23 23 25231 1 . ALA 24 24 25231 1 . ALA 25 25 25231 1 . CYS 26 26 25231 1 . MET 27 27 25231 1 . LYS 28 28 25231 1 . SER 29 29 25231 1 . VAL 30 30 25231 1 . THR 31 31 25231 1 . GLU 32 32 25231 1 . GLN 33 33 25231 1 . GLY 34 34 25231 1 . ALA 35 35 25231 1 . GLU 36 36 25231 1 . LEU 37 37 25231 1 . SER 38 38 25231 1 . ASN 39 39 25231 1 . GLU 40 40 25231 1 . GLU 41 41 25231 1 . ARG 42 42 25231 1 . ASN 43 43 25231 1 . LEU 44 44 25231 1 . LEU 45 45 25231 1 . SER 46 46 25231 1 . VAL 47 47 25231 1 . ALA 48 48 25231 1 . TYR 49 49 25231 1 . LYS 50 50 25231 1 . ASN 51 51 25231 1 . VAL 52 52 25231 1 . VAL 53 53 25231 1 . GLY 54 54 25231 1 . ALA 55 55 25231 1 . ARG 56 56 25231 1 . ARG 57 57 25231 1 . SER 58 58 25231 1 . SER 59 59 25231 1 . TRP 60 60 25231 1 . ARG 61 61 25231 1 . VAL 62 62 25231 1 . VAL 63 63 25231 1 . SER 64 64 25231 1 . SER 65 65 25231 1 . ILE 66 66 25231 1 . GLU 67 67 25231 1 . GLN 68 68 25231 1 . LYS 69 69 25231 1 . THR 70 70 25231 1 . GLU 71 71 25231 1 . GLY 72 72 25231 1 . ALA 73 73 25231 1 . GLU 74 74 25231 1 . LYS 75 75 25231 1 . LYS 76 76 25231 1 . GLN 77 77 25231 1 . GLN 78 78 25231 1 . MET 79 79 25231 1 . ALA 80 80 25231 1 . ARG 81 81 25231 1 . GLU 82 82 25231 1 . TYR 83 83 25231 1 . ARG 84 84 25231 1 . GLU 85 85 25231 1 . LYS 86 86 25231 1 . ILE 87 87 25231 1 . GLU 88 88 25231 1 . THR 89 89 25231 1 . GLU 90 90 25231 1 . LEU 91 91 25231 1 . ARG 92 92 25231 1 . ASP 93 93 25231 1 . ILE 94 94 25231 1 . CYS 95 95 25231 1 . ASN 96 96 25231 1 . ASP 97 97 25231 1 . VAL 98 98 25231 1 . LEU 99 99 25231 1 . SER 100 100 25231 1 . LEU 101 101 25231 1 . LEU 102 102 25231 1 . GLU 103 103 25231 1 . LYS 104 104 25231 1 . PHE 105 105 25231 1 . LEU 106 106 25231 1 . ILE 107 107 25231 1 . PRO 108 108 25231 1 . ASN 109 109 25231 1 . ALA 110 110 25231 1 . SER 111 111 25231 1 . GLN 112 112 25231 1 . ALA 113 113 25231 1 . GLU 114 114 25231 1 . SER 115 115 25231 1 . LYS 116 116 25231 1 . VAL 117 117 25231 1 . PHE 118 118 25231 1 . TYR 119 119 25231 1 . LEU 120 120 25231 1 . LYS 121 121 25231 1 . MET 122 122 25231 1 . LYS 123 123 25231 1 . GLY 124 124 25231 1 . ASP 125 125 25231 1 . TYR 126 126 25231 1 . TYR 127 127 25231 1 . ARG 128 128 25231 1 . TYR 129 129 25231 1 . LEU 130 130 25231 1 . ALA 131 131 25231 1 . GLU 132 132 25231 1 . VAL 133 133 25231 1 . ALA 134 134 25231 1 . ALA 135 135 25231 1 . GLY 136 136 25231 1 . ASP 137 137 25231 1 . ASP 138 138 25231 1 . LYS 139 139 25231 1 . LYS 140 140 25231 1 . GLY 141 141 25231 1 . ILE 142 142 25231 1 . VAL 143 143 25231 1 . ASP 144 144 25231 1 . GLN 145 145 25231 1 . SER 146 146 25231 1 . GLN 147 147 25231 1 . GLN 148 148 25231 1 . ALA 149 149 25231 1 . TYR 150 150 25231 1 . GLN 151 151 25231 1 . GLU 152 152 25231 1 . ALA 153 153 25231 1 . PHE 154 154 25231 1 . GLU 155 155 25231 1 . ILE 156 156 25231 1 . SER 157 157 25231 1 . LYS 158 158 25231 1 . LYS 159 159 25231 1 . GLU 160 160 25231 1 . MET 161 161 25231 1 . GLN 162 162 25231 1 . PRO 163 163 25231 1 . THR 164 164 25231 1 . HIS 165 165 25231 1 . PRO 166 166 25231 1 . ILE 167 167 25231 1 . ARG 168 168 25231 1 . LEU 169 169 25231 1 . GLY 170 170 25231 1 . LEU 171 171 25231 1 . ALA 172 172 25231 1 . LEU 173 173 25231 1 . ASN 174 174 25231 1 . PHE 175 175 25231 1 . SER 176 176 25231 1 . VAL 177 177 25231 1 . PHE 178 178 25231 1 . TYR 179 179 25231 1 . TYR 180 180 25231 1 . GLU 181 181 25231 1 . ILE 182 182 25231 1 . LEU 183 183 25231 1 . ASN 184 184 25231 1 . SER 185 185 25231 1 . PRO 186 186 25231 1 . GLU 187 187 25231 1 . LYS 188 188 25231 1 . ALA 189 189 25231 1 . CYS 190 190 25231 1 . SER 191 191 25231 1 . LEU 192 192 25231 1 . ALA 193 193 25231 1 . LYS 194 194 25231 1 . THR 195 195 25231 1 . ALA 196 196 25231 1 . PHE 197 197 25231 1 . ASP 198 198 25231 1 . GLU 199 199 25231 1 . ALA 200 200 25231 1 . ILE 201 201 25231 1 . ALA 202 202 25231 1 . GLU 203 203 25231 1 . LEU 204 204 25231 1 . ASP 205 205 25231 1 . THR 206 206 25231 1 . LEU 207 207 25231 1 . SER 208 208 25231 1 . GLU 209 209 25231 1 . GLU 210 210 25231 1 . SER 211 211 25231 1 . TYR 212 212 25231 1 . LYS 213 213 25231 1 . ASP 214 214 25231 1 . SER 215 215 25231 1 . THR 216 216 25231 1 . LEU 217 217 25231 1 . ILE 218 218 25231 1 . MET 219 219 25231 1 . GLN 220 220 25231 1 . LEU 221 221 25231 1 . LEU 222 222 25231 1 . ARG 223 223 25231 1 . ASP 224 224 25231 1 . ASN 225 225 25231 1 . LEU 226 226 25231 1 . THR 227 227 25231 1 . LEU 228 228 25231 1 . TRP 229 229 25231 1 . THR 230 230 25231 1 . SER 231 231 25231 1 . ASP 232 232 25231 1 . THR 233 233 25231 1 . GLN 234 234 25231 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 25231 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 562 organism . 'Escherichia coli' E.coli . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25231 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 25231 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pDEST17 . . . 25231 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_14-3-3 _Sample.Sf_category sample _Sample.Sf_framecode 14-3-3 _Sample.Entry_ID 25231 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 14-3-3 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity . . 0.5 . . mM . . . . 25231 1 2 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 25231 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25231 1 4 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25231 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25231 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25231 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25231 _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 'ionic strength' 0.2 . M 25231 1 pH 6.8 . pH 25231 1 pressure 1 . atm 25231 1 temperature 298 . K 25231 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25231 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25231 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25231 1 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 25231 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25231 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 25231 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 25231 _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 $14-3-3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25231 1 2 '3D HNCACB' no . . . . . . . . . . 1 $14-3-3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25231 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $14-3-3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25231 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $14-3-3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25231 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 25231 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25231 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25231 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25231 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25231 _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' . . . 25231 1 2 '3D HNCACB' . . . 25231 1 3 '3D CBCA(CO)NH' . . . 25231 1 4 '3D 1H-15N NOESY' . . . 25231 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASP H H 1 8.502 0.020 . 1 . . . . 2 ASP H . 25231 1 2 . 1 1 3 3 ASP CA C 13 53.395 0.3 . 1 . . . . 2 ASP CA . 25231 1 3 . 1 1 3 3 ASP CB C 13 41.312 0.3 . 1 . . . . 2 ASP CB . 25231 1 4 . 1 1 3 3 ASP N N 15 122.970 0.3 . 1 . . . . 2 ASP N . 25231 1 5 . 1 1 4 4 LYS H H 1 8.643 0.020 . 1 . . . . 3 LYS H . 25231 1 6 . 1 1 4 4 LYS CA C 13 59.851 0.3 . 1 . . . . 3 LYS CA . 25231 1 7 . 1 1 4 4 LYS CB C 13 30.947 0.3 . 1 . . . . 3 LYS CB . 25231 1 8 . 1 1 4 4 LYS N N 15 123.995 0.3 . 1 . . . . 3 LYS N . 25231 1 9 . 1 1 5 5 ASN H H 1 8.259 0.020 . 1 . . . . 4 ASN H . 25231 1 10 . 1 1 5 5 ASN CA C 13 56.103 0.3 . 1 . . . . 4 ASN CA . 25231 1 11 . 1 1 5 5 ASN CB C 13 37.582 0.3 . 1 . . . . 4 ASN CB . 25231 1 12 . 1 1 5 5 ASN N N 15 116.671 0.3 . 1 . . . . 4 ASN N . 25231 1 13 . 1 1 6 6 GLU H H 1 7.986 0.020 . 1 . . . . 5 GLU H . 25231 1 14 . 1 1 6 6 GLU CA C 13 59.259 0.3 . 1 . . . . 5 GLU CA . 25231 1 15 . 1 1 6 6 GLU CB C 13 28.873 0.3 . 1 . . . . 5 GLU CB . 25231 1 16 . 1 1 6 6 GLU N N 15 121.847 0.3 . 1 . . . . 5 GLU N . 25231 1 17 . 1 1 7 7 LEU H H 1 7.735 0.020 . 1 . . . . 6 LEU H . 25231 1 18 . 1 1 7 7 LEU CA C 13 57.719 0.3 . 1 . . . . 6 LEU CA . 25231 1 19 . 1 1 7 7 LEU CB C 13 42.082 0.3 . 1 . . . . 6 LEU CB . 25231 1 20 . 1 1 7 7 LEU N N 15 119.747 0.3 . 1 . . . . 6 LEU N . 25231 1 21 . 1 1 8 8 VAL H H 1 7.978 0.020 . 1 . . . . 7 VAL H . 25231 1 22 . 1 1 8 8 VAL CA C 13 66.545 0.3 . 1 . . . . 7 VAL CA . 25231 1 23 . 1 1 8 8 VAL CB C 13 30.710 0.3 . 1 . . . . 7 VAL CB . 25231 1 24 . 1 1 8 8 VAL N N 15 119.894 0.3 . 1 . . . . 7 VAL N . 25231 1 25 . 1 1 9 9 GLN H H 1 7.766 0.020 . 1 . . . . 8 GLN H . 25231 1 26 . 1 1 9 9 GLN CA C 13 58.522 0.3 . 1 . . . . 8 GLN CA . 25231 1 27 . 1 1 9 9 GLN CB C 13 27.297 0.3 . 1 . . . . 8 GLN CB . 25231 1 28 . 1 1 9 9 GLN N N 15 118.528 0.3 . 1 . . . . 8 GLN N . 25231 1 29 . 1 1 10 10 LYS H H 1 8.433 0.020 . 1 . . . . 9 LYS H . 25231 1 30 . 1 1 10 10 LYS CA C 13 59.855 0.3 . 1 . . . . 9 LYS CA . 25231 1 31 . 1 1 10 10 LYS CB C 13 31.083 0.3 . 1 . . . . 9 LYS CB . 25231 1 32 . 1 1 10 10 LYS N N 15 121.944 0.3 . 1 . . . . 9 LYS N . 25231 1 33 . 1 1 11 11 ALA H H 1 8.492 0.020 . 1 . . . . 10 ALA H . 25231 1 34 . 1 1 11 11 ALA CA C 13 55.261 0.3 . 1 . . . . 10 ALA CA . 25231 1 35 . 1 1 11 11 ALA CB C 13 17.856 0.3 . 1 . . . . 10 ALA CB . 25231 1 36 . 1 1 11 11 ALA N N 15 124.682 0.3 . 1 . . . . 10 ALA N . 25231 1 37 . 1 1 12 12 LYS H H 1 8.008 0.020 . 1 . . . . 11 LYS H . 25231 1 38 . 1 1 12 12 LYS CA C 13 59.375 0.3 . 1 . . . . 11 LYS CA . 25231 1 39 . 1 1 12 12 LYS CB C 13 31.293 0.3 . 1 . . . . 11 LYS CB . 25231 1 40 . 1 1 12 12 LYS N N 15 117.455 0.3 . 1 . . . . 11 LYS N . 25231 1 41 . 1 1 13 13 LEU H H 1 7.696 0.020 . 1 . . . . 12 LEU H . 25231 1 42 . 1 1 13 13 LEU CA C 13 57.560 0.3 . 1 . . . . 12 LEU CA . 25231 1 43 . 1 1 13 13 LEU CB C 13 41.462 0.3 . 1 . . . . 12 LEU CB . 25231 1 44 . 1 1 13 13 LEU N N 15 122.581 0.3 . 1 . . . . 12 LEU N . 25231 1 45 . 1 1 14 14 ALA H H 1 8.158 0.020 . 1 . . . . 13 ALA H . 25231 1 46 . 1 1 14 14 ALA CA C 13 54.893 0.3 . 1 . . . . 13 ALA CA . 25231 1 47 . 1 1 14 14 ALA CB C 13 16.765 0.3 . 1 . . . . 13 ALA CB . 25231 1 48 . 1 1 14 14 ALA N N 15 121.751 0.3 . 1 . . . . 13 ALA N . 25231 1 49 . 1 1 15 15 GLU H H 1 8.205 0.020 . 1 . . . . 14 GLU H . 25231 1 50 . 1 1 15 15 GLU CA C 13 59.734 0.3 . 1 . . . . 14 GLU CA . 25231 1 51 . 1 1 15 15 GLU CB C 13 28.992 0.3 . 1 . . . . 14 GLU CB . 25231 1 52 . 1 1 15 15 GLU N N 15 119.308 0.3 . 1 . . . . 14 GLU N . 25231 1 53 . 1 1 16 16 GLN H H 1 7.605 0.020 . 1 . . . . 15 GLN H . 25231 1 54 . 1 1 16 16 GLN CA C 13 58.530 0.3 . 1 . . . . 15 GLN CA . 25231 1 55 . 1 1 16 16 GLN CB C 13 27.559 0.3 . 1 . . . . 15 GLN CB . 25231 1 56 . 1 1 16 16 GLN N N 15 119.258 0.3 . 1 . . . . 15 GLN N . 25231 1 57 . 1 1 17 17 ALA H H 1 7.876 0.020 . 1 . . . . 16 ALA H . 25231 1 58 . 1 1 17 17 ALA CA C 13 51.266 0.3 . 1 . . . . 16 ALA CA . 25231 1 59 . 1 1 17 17 ALA CB C 13 17.979 0.3 . 1 . . . . 16 ALA CB . 25231 1 60 . 1 1 17 17 ALA N N 15 118.144 0.3 . 1 . . . . 16 ALA N . 25231 1 61 . 1 1 18 18 GLU H H 1 7.688 0.020 . 1 . . . . 17 GLU H . 25231 1 62 . 1 1 18 18 GLU CA C 13 57.075 0.3 . 1 . . . . 17 GLU CA . 25231 1 63 . 1 1 18 18 GLU CB C 13 25.962 0.3 . 1 . . . . 17 GLU CB . 25231 1 64 . 1 1 18 18 GLU N N 15 115.788 0.3 . 1 . . . . 17 GLU N . 25231 1 65 . 1 1 19 19 ARG H H 1 8.080 0.020 . 1 . . . . 18 ARG H . 25231 1 66 . 1 1 19 19 ARG CA C 13 53.632 0.3 . 1 . . . . 18 ARG CA . 25231 1 67 . 1 1 19 19 ARG CB C 13 28.163 0.3 . 1 . . . . 18 ARG CB . 25231 1 68 . 1 1 19 19 ARG N N 15 122.335 0.3 . 1 . . . . 18 ARG N . 25231 1 69 . 1 1 20 20 TYR H H 1 7.477 0.020 . 1 . . . . 19 TYR H . 25231 1 70 . 1 1 20 20 TYR CA C 13 62.161 0.3 . 1 . . . . 19 TYR CA . 25231 1 71 . 1 1 20 20 TYR CB C 13 36.277 0.3 . 1 . . . . 19 TYR CB . 25231 1 72 . 1 1 20 20 TYR N N 15 120.089 0.3 . 1 . . . . 19 TYR N . 25231 1 73 . 1 1 21 21 ASP H H 1 8.385 0.020 . 1 . . . . 20 ASP H . 25231 1 74 . 1 1 21 21 ASP CA C 13 57.558 0.3 . 1 . . . . 20 ASP CA . 25231 1 75 . 1 1 21 21 ASP CB C 13 38.438 0.3 . 1 . . . . 20 ASP CB . 25231 1 76 . 1 1 21 21 ASP N N 15 120.040 0.3 . 1 . . . . 20 ASP N . 25231 1 77 . 1 1 22 22 ASP H H 1 7.758 0.020 . 1 . . . . 21 ASP H . 25231 1 78 . 1 1 22 22 ASP CA C 13 56.464 0.3 . 1 . . . . 21 ASP CA . 25231 1 79 . 1 1 22 22 ASP CB C 13 39.158 0.3 . 1 . . . . 21 ASP CB . 25231 1 80 . 1 1 22 22 ASP N N 15 122.337 0.3 . 1 . . . . 21 ASP N . 25231 1 81 . 1 1 23 23 MET H H 1 7.782 0.020 . 1 . . . . 22 MET H . 25231 1 82 . 1 1 23 23 MET CA C 13 60.088 0.3 . 1 . . . . 22 MET CA . 25231 1 83 . 1 1 23 23 MET CB C 13 39.239 0.3 . 1 . . . . 22 MET CB . 25231 1 84 . 1 1 23 23 MET N N 15 121.554 0.3 . 1 . . . . 22 MET N . 25231 1 85 . 1 1 24 24 ALA H H 1 8.565 0.020 . 1 . . . . 23 ALA H . 25231 1 86 . 1 1 24 24 ALA CA C 13 55.172 0.3 . 1 . . . . 23 ALA CA . 25231 1 87 . 1 1 24 24 ALA CB C 13 15.428 0.3 . 1 . . . . 23 ALA CB . 25231 1 88 . 1 1 24 24 ALA N N 15 121.700 0.3 . 1 . . . . 23 ALA N . 25231 1 89 . 1 1 25 25 ALA H H 1 7.587 0.020 . 1 . . . . 24 ALA H . 25231 1 90 . 1 1 25 25 ALA CA C 13 55.012 0.3 . 1 . . . . 24 ALA CA . 25231 1 91 . 1 1 25 25 ALA CB C 13 17.008 0.3 . 1 . . . . 24 ALA CB . 25231 1 92 . 1 1 25 25 ALA N N 15 120.040 0.3 . 1 . . . . 24 ALA N . 25231 1 93 . 1 1 26 26 CYS H H 1 7.798 0.020 . 1 . . . . 25 CYS H . 25231 1 94 . 1 1 26 26 CYS CA C 13 63.616 0.3 . 1 . . . . 25 CYS CA . 25231 1 95 . 1 1 26 26 CYS CB C 13 26.814 0.3 . 1 . . . . 25 CYS CB . 25231 1 96 . 1 1 26 26 CYS N N 15 115.847 0.3 . 1 . . . . 25 CYS N . 25231 1 97 . 1 1 27 27 MET H H 1 7.674 0.020 . 1 . . . . 26 MET H . 25231 1 98 . 1 1 27 27 MET CA C 13 54.658 0.3 . 1 . . . . 26 MET CA . 25231 1 99 . 1 1 27 27 MET CB C 13 27.415 0.3 . 1 . . . . 26 MET CB . 25231 1 100 . 1 1 27 27 MET N N 15 114.665 0.3 . 1 . . . . 26 MET N . 25231 1 101 . 1 1 28 28 LYS H H 1 9.378 0.020 . 1 . . . . 27 LYS H . 25231 1 102 . 1 1 28 28 LYS CA C 13 60.216 0.3 . 1 . . . . 27 LYS CA . 25231 1 103 . 1 1 28 28 LYS CB C 13 30.565 0.3 . 1 . . . . 27 LYS CB . 25231 1 104 . 1 1 28 28 LYS N N 15 128.295 0.3 . 1 . . . . 27 LYS N . 25231 1 105 . 1 1 32 32 GLU H H 1 7.810 0.020 . 1 . . . . 31 GLU H . 25231 1 106 . 1 1 32 32 GLU CA C 13 56.960 0.3 . 1 . . . . 31 GLU CA . 25231 1 107 . 1 1 32 32 GLU CB C 13 28.390 0.3 . 1 . . . . 31 GLU CB . 25231 1 108 . 1 1 32 32 GLU N N 15 118.468 0.3 . 1 . . . . 31 GLU N . 25231 1 109 . 1 1 33 33 GLN H H 1 7.133 0.020 . 1 . . . . 32 GLN H . 25231 1 110 . 1 1 33 33 GLN CA C 13 56.844 0.3 . 1 . . . . 32 GLN CA . 25231 1 111 . 1 1 33 33 GLN CB C 13 26.810 0.3 . 1 . . . . 32 GLN CB . 25231 1 112 . 1 1 33 33 GLN N N 15 116.671 0.3 . 1 . . . . 32 GLN N . 25231 1 113 . 1 1 34 34 GLY H H 1 7.508 0.020 . 1 . . . . 33 GLY H . 25231 1 114 . 1 1 34 34 GLY CA C 13 46.110 0.3 . 1 . . . . 33 GLY CA . 25231 1 115 . 1 1 34 34 GLY N N 15 104.806 0.3 . 1 . . . . 33 GLY N . 25231 1 116 . 1 1 35 35 ALA H H 1 7.548 0.020 . 1 . . . . 34 ALA H . 25231 1 117 . 1 1 35 35 ALA CA C 13 50.552 0.3 . 1 . . . . 34 ALA CA . 25231 1 118 . 1 1 35 35 ALA CB C 13 19.278 0.3 . 1 . . . . 34 ALA CB . 25231 1 119 . 1 1 35 35 ALA N N 15 122.677 0.3 . 1 . . . . 34 ALA N . 25231 1 120 . 1 1 36 36 GLU H H 1 8.463 0.020 . 1 . . . . 35 GLU H . 25231 1 121 . 1 1 36 36 GLU CA C 13 57.008 0.3 . 1 . . . . 35 GLU CA . 25231 1 122 . 1 1 36 36 GLU CB C 13 29.347 0.3 . 1 . . . . 35 GLU CB . 25231 1 123 . 1 1 36 36 GLU N N 15 121.896 0.3 . 1 . . . . 35 GLU N . 25231 1 124 . 1 1 37 37 LEU H H 1 8.392 0.020 . 1 . . . . 36 LEU H . 25231 1 125 . 1 1 37 37 LEU CA C 13 54.106 0.3 . 1 . . . . 36 LEU CA . 25231 1 126 . 1 1 37 37 LEU CB C 13 40.542 0.3 . 1 . . . . 36 LEU CB . 25231 1 127 . 1 1 37 37 LEU N N 15 125.313 0.3 . 1 . . . . 36 LEU N . 25231 1 128 . 1 1 38 38 SER H H 1 9.159 0.020 . 1 . . . . 37 SER H . 25231 1 129 . 1 1 38 38 SER CA C 13 56.594 0.3 . 1 . . . . 37 SER CA . 25231 1 130 . 1 1 38 38 SER CB C 13 64.768 0.3 . 1 . . . . 37 SER CB . 25231 1 131 . 1 1 38 38 SER N N 15 120.577 0.3 . 1 . . . . 37 SER N . 25231 1 132 . 1 1 41 41 GLU H H 1 7.665 0.020 . 1 . . . . 40 GLU H . 25231 1 133 . 1 1 41 41 GLU CA C 13 59.022 0.3 . 1 . . . . 40 GLU CA . 25231 1 134 . 1 1 41 41 GLU CB C 13 29.406 0.3 . 1 . . . . 40 GLU CB . 25231 1 135 . 1 1 41 41 GLU N N 15 119.845 0.3 . 1 . . . . 40 GLU N . 25231 1 136 . 1 1 42 42 ARG H H 1 8.831 0.020 . 1 . . . . 41 ARG H . 25231 1 137 . 1 1 42 42 ARG CA C 13 59.141 0.3 . 1 . . . . 41 ARG CA . 25231 1 138 . 1 1 42 42 ARG CB C 13 29.110 0.3 . 1 . . . . 41 ARG CB . 25231 1 139 . 1 1 42 42 ARG N N 15 120.187 0.3 . 1 . . . . 41 ARG N . 25231 1 140 . 1 1 43 43 ASN H H 1 7.563 0.020 . 1 . . . . 42 ASN H . 25231 1 141 . 1 1 43 43 ASN CA C 13 56.466 0.3 . 1 . . . . 42 ASN CA . 25231 1 142 . 1 1 43 43 ASN CB C 13 37.708 0.3 . 1 . . . . 42 ASN CB . 25231 1 143 . 1 1 43 43 ASN N N 15 118.429 0.3 . 1 . . . . 42 ASN N . 25231 1 144 . 1 1 44 44 LEU H H 1 8.064 0.020 . 1 . . . . 43 LEU H . 25231 1 145 . 1 1 44 44 LEU CA C 13 57.838 0.3 . 1 . . . . 43 LEU CA . 25231 1 146 . 1 1 44 44 LEU CB C 13 41.549 0.3 . 1 . . . . 43 LEU CB . 25231 1 147 . 1 1 44 44 LEU N N 15 120.284 0.3 . 1 . . . . 43 LEU N . 25231 1 148 . 1 1 45 45 LEU H H 1 8.228 0.020 . 1 . . . . 44 LEU H . 25231 1 149 . 1 1 45 45 LEU CA C 13 58.768 0.3 . 1 . . . . 44 LEU CA . 25231 1 150 . 1 1 45 45 LEU CB C 13 41.335 0.3 . 1 . . . . 44 LEU CB . 25231 1 151 . 1 1 45 45 LEU N N 15 119.356 0.3 . 1 . . . . 44 LEU N . 25231 1 152 . 1 1 46 46 SER H H 1 7.947 0.020 . 1 . . . . 45 SER H . 25231 1 153 . 1 1 46 46 SER CA C 13 61.066 0.3 . 1 . . . . 45 SER CA . 25231 1 154 . 1 1 46 46 SER CB C 13 62.886 0.3 . 1 . . . . 45 SER CB . 25231 1 155 . 1 1 46 46 SER N N 15 110.714 0.3 . 1 . . . . 45 SER N . 25231 1 156 . 1 1 47 47 VAL H H 1 8.846 0.020 . 1 . . . . 46 VAL H . 25231 1 157 . 1 1 47 47 VAL CA C 13 66.153 0.3 . 1 . . . . 46 VAL CA . 25231 1 158 . 1 1 47 47 VAL CB C 13 31.654 0.3 . 1 . . . . 46 VAL CB . 25231 1 159 . 1 1 47 47 VAL N N 15 122.287 0.3 . 1 . . . . 46 VAL N . 25231 1 160 . 1 1 48 48 ALA H H 1 8.189 0.020 . 1 . . . . 47 ALA H . 25231 1 161 . 1 1 48 48 ALA CA C 13 56.465 0.3 . 1 . . . . 47 ALA CA . 25231 1 162 . 1 1 48 48 ALA CB C 13 17.129 0.3 . 1 . . . . 47 ALA CB . 25231 1 163 . 1 1 48 48 ALA N N 15 122.728 0.3 . 1 . . . . 47 ALA N . 25231 1 164 . 1 1 49 49 TYR H H 1 7.767 0.020 . 1 . . . . 48 TYR H . 25231 1 165 . 1 1 49 49 TYR CA C 13 64.218 0.3 . 1 . . . . 48 TYR CA . 25231 1 166 . 1 1 49 49 TYR CB C 13 37.100 0.3 . 1 . . . . 48 TYR CB . 25231 1 167 . 1 1 49 49 TYR N N 15 113.937 0.3 . 1 . . . . 48 TYR N . 25231 1 168 . 1 1 50 50 LYS H H 1 8.471 0.020 . 1 . . . . 49 LYS H . 25231 1 169 . 1 1 50 50 LYS CA C 13 59.132 0.3 . 1 . . . . 49 LYS CA . 25231 1 170 . 1 1 50 50 LYS CB C 13 31.053 0.3 . 1 . . . . 49 LYS CB . 25231 1 171 . 1 1 50 50 LYS N N 15 120.723 0.3 . 1 . . . . 49 LYS N . 25231 1 172 . 1 1 51 51 ASN H H 1 7.602 0.020 . 1 . . . . 50 ASN H . 25231 1 173 . 1 1 51 51 ASN CA C 13 56.230 0.3 . 1 . . . . 50 ASN CA . 25231 1 174 . 1 1 51 51 ASN CB C 13 38.917 0.3 . 1 . . . . 50 ASN CB . 25231 1 175 . 1 1 51 51 ASN N N 15 117.893 0.3 . 1 . . . . 50 ASN N . 25231 1 176 . 1 1 52 52 VAL H H 1 8.017 0.020 . 1 . . . . 51 VAL H . 25231 1 177 . 1 1 52 52 VAL CA C 13 66.397 0.3 . 1 . . . . 51 VAL CA . 25231 1 178 . 1 1 52 52 VAL CB C 13 31.537 0.3 . 1 . . . . 51 VAL CB . 25231 1 179 . 1 1 52 52 VAL N N 15 122.095 0.3 . 1 . . . . 51 VAL N . 25231 1 180 . 1 1 53 53 VAL H H 1 9.112 0.020 . 1 . . . . 52 VAL H . 25231 1 181 . 1 1 53 53 VAL CA C 13 65.541 0.3 . 1 . . . . 52 VAL CA . 25231 1 182 . 1 1 53 53 VAL CB C 13 30.812 0.3 . 1 . . . . 52 VAL CB . 25231 1 183 . 1 1 53 53 VAL N N 15 119.946 0.3 . 1 . . . . 52 VAL N . 25231 1 184 . 1 1 54 54 GLY H H 1 8.158 0.020 . 1 . . . . 53 GLY H . 25231 1 185 . 1 1 54 54 GLY CA C 13 46.788 0.3 . 1 . . . . 53 GLY CA . 25231 1 186 . 1 1 54 54 GLY N N 15 112.131 0.3 . 1 . . . . 53 GLY N . 25231 1 187 . 1 1 55 55 ALA H H 1 7.414 0.020 . 1 . . . . 54 ALA H . 25231 1 188 . 1 1 55 55 ALA CA C 13 54.471 0.3 . 1 . . . . 54 ALA CA . 25231 1 189 . 1 1 55 55 ALA CB C 13 17.257 0.3 . 1 . . . . 54 ALA CB . 25231 1 190 . 1 1 55 55 ALA N N 15 123.118 0.3 . 1 . . . . 54 ALA N . 25231 1 191 . 1 1 56 56 ARG H H 1 6.843 0.020 . 1 . . . . 55 ARG H . 25231 1 192 . 1 1 56 56 ARG CA C 13 59.496 0.3 . 1 . . . . 55 ARG CA . 25231 1 193 . 1 1 56 56 ARG CB C 13 30.079 0.3 . 1 . . . . 55 ARG CB . 25231 1 194 . 1 1 56 56 ARG N N 15 117.991 0.3 . 1 . . . . 55 ARG N . 25231 1 195 . 1 1 60 60 TRP H H 1 9.089 0.020 . 1 . . . . 59 TRP H . 25231 1 196 . 1 1 60 60 TRP CA C 13 63.168 0.3 . 1 . . . . 59 TRP CA . 25231 1 197 . 1 1 60 60 TRP CB C 13 28.577 0.3 . 1 . . . . 59 TRP CB . 25231 1 198 . 1 1 60 60 TRP N N 15 122.823 0.3 . 1 . . . . 59 TRP N . 25231 1 199 . 1 1 61 61 ARG H H 1 8.411 0.020 . 1 . . . . 60 ARG H . 25231 1 200 . 1 1 61 61 ARG CA C 13 60.109 0.3 . 1 . . . . 60 ARG CA . 25231 1 201 . 1 1 61 61 ARG CB C 13 29.237 0.3 . 1 . . . . 60 ARG CB . 25231 1 202 . 1 1 61 61 ARG N N 15 120.090 0.3 . 1 . . . . 60 ARG N . 25231 1 203 . 1 1 62 62 VAL H H 1 7.616 0.020 . 1 . . . . 61 VAL H . 25231 1 204 . 1 1 62 62 VAL CA C 13 66.039 0.3 . 1 . . . . 61 VAL CA . 25231 1 205 . 1 1 62 62 VAL CB C 13 31.229 0.3 . 1 . . . . 61 VAL CB . 25231 1 206 . 1 1 62 62 VAL N N 15 119.930 0.3 . 1 . . . . 61 VAL N . 25231 1 207 . 1 1 63 63 VAL H H 1 8.173 0.020 . 1 . . . . 62 VAL H . 25231 1 208 . 1 1 63 63 VAL CA C 13 66.753 0.3 . 1 . . . . 62 VAL CA . 25231 1 209 . 1 1 63 63 VAL CB C 13 30.803 0.3 . 1 . . . . 62 VAL CB . 25231 1 210 . 1 1 63 63 VAL N N 15 119.649 0.3 . 1 . . . . 62 VAL N . 25231 1 211 . 1 1 64 64 SER H H 1 8.432 0.020 . 1 . . . . 63 SER H . 25231 1 212 . 1 1 64 64 SER CA C 13 61.569 0.3 . 1 . . . . 63 SER CA . 25231 1 213 . 1 1 64 64 SER N N 15 115.499 0.3 . 1 . . . . 63 SER N . 25231 1 214 . 1 1 65 65 SER H H 1 7.352 0.020 . 1 . . . . 64 SER H . 25231 1 215 . 1 1 65 65 SER CB C 13 62.036 0.3 . 1 . . . . 64 SER CB . 25231 1 216 . 1 1 65 65 SER N N 15 116.085 0.3 . 1 . . . . 64 SER N . 25231 1 217 . 1 1 66 66 ILE H H 1 7.516 0.020 . 1 . . . . 65 ILE H . 25231 1 218 . 1 1 66 66 ILE CA C 13 64.708 0.3 . 1 . . . . 65 ILE CA . 25231 1 219 . 1 1 66 66 ILE CB C 13 37.462 0.3 . 1 . . . . 65 ILE CB . 25231 1 220 . 1 1 66 66 ILE N N 15 123.067 0.3 . 1 . . . . 65 ILE N . 25231 1 221 . 1 1 67 67 GLU H H 1 8.463 0.020 . 1 . . . . 66 GLU H . 25231 1 222 . 1 1 67 67 GLU CA C 13 59.307 0.3 . 1 . . . . 66 GLU CA . 25231 1 223 . 1 1 67 67 GLU CB C 13 29.477 0.3 . 1 . . . . 66 GLU CB . 25231 1 224 . 1 1 67 67 GLU N N 15 123.020 0.3 . 1 . . . . 66 GLU N . 25231 1 225 . 1 1 68 68 GLN H H 1 7.696 0.020 . 1 . . . . 67 GLN H . 25231 1 226 . 1 1 68 68 GLN CA C 13 57.440 0.3 . 1 . . . . 67 GLN CA . 25231 1 227 . 1 1 68 68 GLN CB C 13 28.000 0.3 . 1 . . . . 67 GLN CB . 25231 1 228 . 1 1 68 68 GLN N N 15 115.450 0.3 . 1 . . . . 67 GLN N . 25231 1 229 . 1 1 69 69 LYS H H 1 7.665 0.020 . 1 . . . . 68 LYS H . 25231 1 230 . 1 1 69 69 LYS CA C 13 56.585 0.3 . 1 . . . . 68 LYS CA . 25231 1 231 . 1 1 69 69 LYS CB C 13 31.893 0.3 . 1 . . . . 68 LYS CB . 25231 1 232 . 1 1 69 69 LYS N N 15 118.526 0.3 . 1 . . . . 68 LYS N . 25231 1 233 . 1 1 70 70 THR H H 1 7.493 0.020 . 1 . . . . 69 THR H . 25231 1 234 . 1 1 70 70 THR CA C 13 62.041 0.3 . 1 . . . . 69 THR CA . 25231 1 235 . 1 1 70 70 THR CB C 13 68.811 0.3 . 1 . . . . 69 THR CB . 25231 1 236 . 1 1 70 70 THR N N 15 113.692 0.3 . 1 . . . . 69 THR N . 25231 1 237 . 1 1 71 71 GLU H H 1 7.876 0.020 . 1 . . . . 70 GLU H . 25231 1 238 . 1 1 71 71 GLU CA C 13 56.771 0.3 . 1 . . . . 70 GLU CA . 25231 1 239 . 1 1 71 71 GLU CB C 13 29.347 0.3 . 1 . . . . 70 GLU CB . 25231 1 240 . 1 1 71 71 GLU N N 15 123.897 0.3 . 1 . . . . 70 GLU N . 25231 1 241 . 1 1 72 72 GLY H H 1 8.627 0.020 . 1 . . . . 71 GLY H . 25231 1 242 . 1 1 72 72 GLY CA C 13 45.221 0.3 . 1 . . . . 71 GLY CA . 25231 1 243 . 1 1 72 72 GLY N N 15 112.276 0.3 . 1 . . . . 71 GLY N . 25231 1 244 . 1 1 73 73 ALA H H 1 8.048 0.020 . 1 . . . . 72 ALA H . 25231 1 245 . 1 1 73 73 ALA CA C 13 51.026 0.3 . 1 . . . . 72 ALA CA . 25231 1 246 . 1 1 73 73 ALA CB C 13 17.619 0.3 . 1 . . . . 72 ALA CB . 25231 1 247 . 1 1 73 73 ALA N N 15 125.118 0.3 . 1 . . . . 72 ALA N . 25231 1 248 . 1 1 74 74 GLU H H 1 8.392 0.020 . 1 . . . . 73 GLU H . 25231 1 249 . 1 1 74 74 GLU CA C 13 59.259 0.3 . 1 . . . . 73 GLU CA . 25231 1 250 . 1 1 74 74 GLU CB C 13 28.873 0.3 . 1 . . . . 73 GLU CB . 25231 1 251 . 1 1 74 74 GLU N N 15 121.993 0.3 . 1 . . . . 73 GLU N . 25231 1 252 . 1 1 76 76 LYS H H 1 7.626 0.020 . 1 . . . . 75 LYS H . 25231 1 253 . 1 1 76 76 LYS CA C 13 59.010 0.3 . 1 . . . . 75 LYS CA . 25231 1 254 . 1 1 76 76 LYS CB C 13 31.521 0.3 . 1 . . . . 75 LYS CB . 25231 1 255 . 1 1 76 76 LYS N N 15 120.138 0.3 . 1 . . . . 75 LYS N . 25231 1 256 . 1 1 77 77 GLN H H 1 8.314 0.020 . 1 . . . . 76 GLN H . 25231 1 257 . 1 1 77 77 GLN CA C 13 59.259 0.3 . 1 . . . . 76 GLN CA . 25231 1 258 . 1 1 77 77 GLN CB C 13 27.985 0.3 . 1 . . . . 76 GLN CB . 25231 1 259 . 1 1 77 77 GLN N N 15 120.772 0.3 . 1 . . . . 76 GLN N . 25231 1 260 . 1 1 78 78 GLN H H 1 8.087 0.020 . 1 . . . . 77 GLN H . 25231 1 261 . 1 1 78 78 GLN CA C 13 58.430 0.3 . 1 . . . . 77 GLN CA . 25231 1 262 . 1 1 78 78 GLN CB C 13 26.978 0.3 . 1 . . . . 77 GLN CB . 25231 1 263 . 1 1 78 78 GLN N N 15 119.063 0.3 . 1 . . . . 77 GLN N . 25231 1 264 . 1 1 79 79 MET H H 1 7.806 0.020 . 1 . . . . 78 MET H . 25231 1 265 . 1 1 79 79 MET CA C 13 58.279 0.3 . 1 . . . . 78 MET CA . 25231 1 266 . 1 1 79 79 MET CB C 13 31.894 0.3 . 1 . . . . 78 MET CB . 25231 1 267 . 1 1 79 79 MET N N 15 118.624 0.3 . 1 . . . . 78 MET N . 25231 1 268 . 1 1 80 80 ALA H H 1 7.970 0.020 . 1 . . . . 79 ALA H . 25231 1 269 . 1 1 80 80 ALA CA C 13 54.994 0.3 . 1 . . . . 79 ALA CA . 25231 1 270 . 1 1 80 80 ALA CB C 13 15.961 0.3 . 1 . . . . 79 ALA CB . 25231 1 271 . 1 1 80 80 ALA N N 15 122.140 0.3 . 1 . . . . 79 ALA N . 25231 1 272 . 1 1 81 81 ARG H H 1 8.361 0.020 . 1 . . . . 80 ARG H . 25231 1 273 . 1 1 81 81 ARG CA C 13 59.274 0.3 . 1 . . . . 80 ARG CA . 25231 1 274 . 1 1 81 81 ARG CB C 13 28.880 0.3 . 1 . . . . 80 ARG CB . 25231 1 275 . 1 1 81 81 ARG N N 15 119.796 0.3 . 1 . . . . 80 ARG N . 25231 1 276 . 1 1 82 82 GLU H H 1 8.174 0.020 . 1 . . . . 81 GLU H . 25231 1 277 . 1 1 82 82 GLU CA C 13 58.891 0.3 . 1 . . . . 81 GLU CA . 25231 1 278 . 1 1 82 82 GLU CB C 13 28.629 0.3 . 1 . . . . 81 GLU CB . 25231 1 279 . 1 1 82 82 GLU N N 15 117.605 0.3 . 1 . . . . 81 GLU N . 25231 1 280 . 1 1 84 84 ARG H H 1 8.909 0.020 . 1 . . . . 83 ARG H . 25231 1 281 . 1 1 84 84 ARG CA C 13 60.621 0.3 . 1 . . . . 83 ARG CA . 25231 1 282 . 1 1 84 84 ARG CB C 13 27.299 0.3 . 1 . . . . 83 ARG CB . 25231 1 283 . 1 1 84 84 ARG N N 15 121.372 0.3 . 1 . . . . 83 ARG N . 25231 1 284 . 1 1 85 85 GLU H H 1 8.463 0.020 . 1 . . . . 84 GLU H . 25231 1 285 . 1 1 85 85 GLU CA C 13 59.611 0.3 . 1 . . . . 84 GLU CA . 25231 1 286 . 1 1 85 85 GLU CB C 13 28.387 0.3 . 1 . . . . 84 GLU CB . 25231 1 287 . 1 1 85 85 GLU N N 15 118.233 0.3 . 1 . . . . 84 GLU N . 25231 1 288 . 1 1 86 86 LYS H H 1 7.641 0.020 . 1 . . . . 85 LYS H . 25231 1 289 . 1 1 86 86 LYS CA C 13 59.372 0.3 . 1 . . . . 85 LYS CA . 25231 1 290 . 1 1 86 86 LYS CB C 13 31.065 0.3 . 1 . . . . 85 LYS CB . 25231 1 291 . 1 1 86 86 LYS N N 15 122.777 0.3 . 1 . . . . 85 LYS N . 25231 1 292 . 1 1 87 87 ILE H H 1 7.939 0.020 . 1 . . . . 86 ILE H . 25231 1 293 . 1 1 87 87 ILE CA C 13 65.425 0.3 . 1 . . . . 86 ILE CA . 25231 1 294 . 1 1 87 87 ILE CB C 13 37.471 0.3 . 1 . . . . 86 ILE CB . 25231 1 295 . 1 1 87 87 ILE N N 15 121.650 0.3 . 1 . . . . 86 ILE N . 25231 1 296 . 1 1 88 88 GLU H H 1 9.097 0.020 . 1 . . . . 87 GLU H . 25231 1 297 . 1 1 88 88 GLU CA C 13 59.860 0.3 . 1 . . . . 87 GLU CA . 25231 1 298 . 1 1 88 88 GLU CB C 13 29.231 0.3 . 1 . . . . 87 GLU CB . 25231 1 299 . 1 1 88 88 GLU N N 15 119.557 0.3 . 1 . . . . 87 GLU N . 25231 1 300 . 1 1 89 89 THR H H 1 8.087 0.020 . 1 . . . . 88 THR H . 25231 1 301 . 1 1 89 89 THR CA C 13 66.825 0.3 . 1 . . . . 88 THR CA . 25231 1 302 . 1 1 89 89 THR CB C 13 68.364 0.3 . 1 . . . . 88 THR CB . 25231 1 303 . 1 1 89 89 THR N N 15 116.427 0.3 . 1 . . . . 88 THR N . 25231 1 304 . 1 1 90 90 GLU H H 1 7.336 0.020 . 1 . . . . 89 GLU H . 25231 1 305 . 1 1 90 90 GLU CA C 13 59.081 0.3 . 1 . . . . 89 GLU CA . 25231 1 306 . 1 1 90 90 GLU CB C 13 29.643 0.3 . 1 . . . . 89 GLU CB . 25231 1 307 . 1 1 90 90 GLU N N 15 120.577 0.3 . 1 . . . . 89 GLU N . 25231 1 308 . 1 1 91 91 LEU H H 1 8.390 0.020 . 1 . . . . 90 LEU H . 25231 1 309 . 1 1 91 91 LEU CA C 13 59.024 0.3 . 1 . . . . 90 LEU CA . 25231 1 310 . 1 1 91 91 LEU CB C 13 42.182 0.3 . 1 . . . . 90 LEU CB . 25231 1 311 . 1 1 91 91 LEU N N 15 119.850 0.3 . 1 . . . . 90 LEU N . 25231 1 312 . 1 1 92 92 ARG H H 1 8.885 0.020 . 1 . . . . 91 ARG H . 25231 1 313 . 1 1 92 92 ARG CA C 13 59.978 0.3 . 1 . . . . 91 ARG CA . 25231 1 314 . 1 1 92 92 ARG CB C 13 28.631 0.3 . 1 . . . . 91 ARG CB . 25231 1 315 . 1 1 92 92 ARG N N 15 119.991 0.3 . 1 . . . . 91 ARG N . 25231 1 316 . 1 1 93 93 ASP H H 1 8.126 0.020 . 1 . . . . 92 ASP H . 25231 1 317 . 1 1 93 93 ASP CA C 13 57.445 0.3 . 1 . . . . 92 ASP CA . 25231 1 318 . 1 1 93 93 ASP CB C 13 39.165 0.3 . 1 . . . . 92 ASP CB . 25231 1 319 . 1 1 93 93 ASP N N 15 120.137 0.3 . 1 . . . . 92 ASP N . 25231 1 320 . 1 1 94 94 ILE H H 1 8.040 0.020 . 1 . . . . 93 ILE H . 25231 1 321 . 1 1 94 94 ILE CA C 13 64.942 0.3 . 1 . . . . 93 ILE CA . 25231 1 322 . 1 1 94 94 ILE CB C 13 38.315 0.3 . 1 . . . . 93 ILE CB . 25231 1 323 . 1 1 94 94 ILE N N 15 121.409 0.3 . 1 . . . . 93 ILE N . 25231 1 324 . 1 1 95 95 CYS H H 1 8.370 0.020 . 1 . . . . 94 CYS H . 25231 1 325 . 1 1 95 95 CYS CA C 13 64.090 0.3 . 1 . . . . 94 CYS CA . 25231 1 326 . 1 1 95 95 CYS CB C 13 26.574 0.3 . 1 . . . . 94 CYS CB . 25231 1 327 . 1 1 95 95 CYS N N 15 116.284 0.3 . 1 . . . . 94 CYS N . 25231 1 328 . 1 1 96 96 ASN H H 1 8.768 0.020 . 1 . . . . 95 ASN H . 25231 1 329 . 1 1 96 96 ASN CA C 13 56.000 0.3 . 1 . . . . 95 ASN CA . 25231 1 330 . 1 1 96 96 ASN CB C 13 37.337 0.3 . 1 . . . . 95 ASN CB . 25231 1 331 . 1 1 96 96 ASN N N 15 116.525 0.3 . 1 . . . . 95 ASN N . 25231 1 332 . 1 1 100 100 SER H H 1 7.884 0.020 . 1 . . . . 99 SER H . 25231 1 333 . 1 1 100 100 SER CA C 13 61.443 0.3 . 1 . . . . 99 SER CA . 25231 1 334 . 1 1 100 100 SER CB C 13 62.039 0.3 . 1 . . . . 99 SER CB . 25231 1 335 . 1 1 100 100 SER N N 15 115.694 0.3 . 1 . . . . 99 SER N . 25231 1 336 . 1 1 101 101 LEU H H 1 7.735 0.020 . 1 . . . . 100 LEU H . 25231 1 337 . 1 1 101 101 LEU CA C 13 57.838 0.3 . 1 . . . . 100 LEU CA . 25231 1 338 . 1 1 101 101 LEU CB C 13 41.016 0.3 . 1 . . . . 100 LEU CB . 25231 1 339 . 1 1 101 101 LEU N N 15 121.554 0.3 . 1 . . . . 100 LEU N . 25231 1 340 . 1 1 108 108 PRO CA C 13 65.193 0.3 . 1 . . . . 107 PRO CA . 25231 1 341 . 1 1 108 108 PRO CB C 13 29.961 0.3 . 1 . . . . 107 PRO CB . 25231 1 342 . 1 1 109 109 ASN H H 1 6.460 0.020 . 1 . . . . 108 ASN H . 25231 1 343 . 1 1 109 109 ASN CA C 13 52.227 0.3 . 1 . . . . 108 ASN CA . 25231 1 344 . 1 1 109 109 ASN CB C 13 39.163 0.3 . 1 . . . . 108 ASN CB . 25231 1 345 . 1 1 109 109 ASN N N 15 110.958 0.3 . 1 . . . . 108 ASN N . 25231 1 346 . 1 1 110 110 ALA H H 1 7.180 0.020 . 1 . . . . 109 ALA H . 25231 1 347 . 1 1 110 110 ALA CA C 13 52.270 0.3 . 1 . . . . 109 ALA CA . 25231 1 348 . 1 1 110 110 ALA CB C 13 16.790 0.3 . 1 . . . . 109 ALA CB . 25231 1 349 . 1 1 110 110 ALA N N 15 123.897 0.3 . 1 . . . . 109 ALA N . 25231 1 350 . 1 1 111 111 SER H H 1 8.666 0.020 . 1 . . . . 110 SER H . 25231 1 351 . 1 1 111 111 SER CA C 13 59.252 0.3 . 1 . . . . 110 SER CA . 25231 1 352 . 1 1 111 111 SER CB C 13 63.405 0.3 . 1 . . . . 110 SER CB . 25231 1 353 . 1 1 111 111 SER N N 15 120.235 0.3 . 1 . . . . 110 SER N . 25231 1 354 . 1 1 112 112 GLN H H 1 7.485 0.020 . 1 . . . . 111 GLN H . 25231 1 355 . 1 1 112 112 GLN CA C 13 53.803 0.3 . 1 . . . . 111 GLN CA . 25231 1 356 . 1 1 112 112 GLN CB C 13 30.084 0.3 . 1 . . . . 111 GLN CB . 25231 1 357 . 1 1 112 112 GLN N N 15 119.063 0.3 . 1 . . . . 111 GLN N . 25231 1 358 . 1 1 114 114 GLU H H 1 8.799 0.020 . 1 . . . . 113 GLU H . 25231 1 359 . 1 1 114 114 GLU CA C 13 59.911 0.3 . 1 . . . . 113 GLU CA . 25231 1 360 . 1 1 114 114 GLU CB C 13 28.518 0.3 . 1 . . . . 113 GLU CB . 25231 1 361 . 1 1 114 114 GLU N N 15 114.669 0.3 . 1 . . . . 113 GLU N . 25231 1 362 . 1 1 115 115 SER H H 1 6.937 0.020 . 1 . . . . 114 SER H . 25231 1 363 . 1 1 115 115 SER CA C 13 60.371 0.3 . 1 . . . . 114 SER CA . 25231 1 364 . 1 1 115 115 SER CB C 13 61.798 0.3 . 1 . . . . 114 SER CB . 25231 1 365 . 1 1 115 115 SER N N 15 112.428 0.3 . 1 . . . . 114 SER N . 25231 1 366 . 1 1 116 116 LYS H H 1 7.915 0.020 . 1 . . . . 115 LYS H . 25231 1 367 . 1 1 116 116 LYS CA C 13 60.621 0.3 . 1 . . . . 115 LYS CA . 25231 1 368 . 1 1 116 116 LYS CB C 13 31.776 0.3 . 1 . . . . 115 LYS CB . 25231 1 369 . 1 1 116 116 LYS N N 15 122.677 0.3 . 1 . . . . 115 LYS N . 25231 1 370 . 1 1 117 117 VAL H H 1 8.502 0.020 . 1 . . . . 116 VAL H . 25231 1 371 . 1 1 117 117 VAL CA C 13 67.002 0.3 . 1 . . . . 116 VAL CA . 25231 1 372 . 1 1 117 117 VAL CB C 13 30.446 0.3 . 1 . . . . 116 VAL CB . 25231 1 373 . 1 1 117 117 VAL N N 15 116.524 0.3 . 1 . . . . 116 VAL N . 25231 1 374 . 1 1 118 118 PHE H H 1 7.767 0.020 . 1 . . . . 117 PHE H . 25231 1 375 . 1 1 118 118 PHE CA C 13 62.102 0.3 . 1 . . . . 117 PHE CA . 25231 1 376 . 1 1 118 118 PHE CB C 13 38.798 0.3 . 1 . . . . 117 PHE CB . 25231 1 377 . 1 1 118 118 PHE N N 15 119.649 0.3 . 1 . . . . 117 PHE N . 25231 1 378 . 1 1 119 119 TYR H H 1 8.549 0.020 . 1 . . . . 118 TYR H . 25231 1 379 . 1 1 119 119 TYR CA C 13 59.253 0.3 . 1 . . . . 118 TYR CA . 25231 1 380 . 1 1 119 119 TYR CB C 13 37.946 0.3 . 1 . . . . 118 TYR CB . 25231 1 381 . 1 1 119 119 TYR N N 15 117.650 0.3 . 1 . . . . 118 TYR N . 25231 1 382 . 1 1 122 122 MET H H 1 8.534 0.020 . 1 . . . . 121 MET H . 25231 1 383 . 1 1 122 122 MET CA C 13 59.532 0.3 . 1 . . . . 121 MET CA . 25231 1 384 . 1 1 122 122 MET CB C 13 31.172 0.3 . 1 . . . . 121 MET CB . 25231 1 385 . 1 1 122 122 MET N N 15 120.044 0.3 . 1 . . . . 121 MET N . 25231 1 386 . 1 1 123 123 LYS H H 1 8.345 0.020 . 1 . . . . 122 LYS H . 25231 1 387 . 1 1 123 123 LYS CA C 13 59.498 0.3 . 1 . . . . 122 LYS CA . 25231 1 388 . 1 1 123 123 LYS CB C 13 32.381 0.3 . 1 . . . . 122 LYS CB . 25231 1 389 . 1 1 123 123 LYS N N 15 121.457 0.3 . 1 . . . . 122 LYS N . 25231 1 390 . 1 1 124 124 GLY H H 1 7.939 0.020 . 1 . . . . 123 GLY H . 25231 1 391 . 1 1 124 124 GLY CA C 13 46.785 0.3 . 1 . . . . 123 GLY CA . 25231 1 392 . 1 1 124 124 GLY N N 15 107.103 0.3 . 1 . . . . 123 GLY N . 25231 1 393 . 1 1 125 125 ASP H H 1 8.604 0.020 . 1 . . . . 124 ASP H . 25231 1 394 . 1 1 125 125 ASP CA C 13 56.586 0.3 . 1 . . . . 124 ASP CA . 25231 1 395 . 1 1 125 125 ASP CB C 13 39.403 0.3 . 1 . . . . 124 ASP CB . 25231 1 396 . 1 1 125 125 ASP N N 15 122.923 0.3 . 1 . . . . 124 ASP N . 25231 1 397 . 1 1 126 126 TYR H H 1 8.330 0.020 . 1 . . . . 125 TYR H . 25231 1 398 . 1 1 126 126 TYR CA C 13 62.881 0.3 . 1 . . . . 125 TYR CA . 25231 1 399 . 1 1 126 126 TYR CB C 13 36.254 0.3 . 1 . . . . 125 TYR CB . 25231 1 400 . 1 1 126 126 TYR N N 15 116.280 0.3 . 1 . . . . 125 TYR N . 25231 1 401 . 1 1 131 131 ALA H H 1 8.604 0.020 . 1 . . . . 130 ALA H . 25231 1 402 . 1 1 131 131 ALA CA C 13 54.524 0.3 . 1 . . . . 130 ALA CA . 25231 1 403 . 1 1 131 131 ALA CB C 13 17.364 0.3 . 1 . . . . 130 ALA CB . 25231 1 404 . 1 1 131 131 ALA N N 15 123.604 0.3 . 1 . . . . 130 ALA N . 25231 1 405 . 1 1 132 132 GLU H H 1 7.721 0.020 . 1 . . . . 131 GLU H . 25231 1 406 . 1 1 132 132 GLU CA C 13 58.518 0.3 . 1 . . . . 131 GLU CA . 25231 1 407 . 1 1 132 132 GLU CB C 13 29.446 0.3 . 1 . . . . 131 GLU CB . 25231 1 408 . 1 1 132 132 GLU N N 15 115.501 0.3 . 1 . . . . 131 GLU N . 25231 1 409 . 1 1 133 133 VAL H H 1 6.554 0.020 . 1 . . . . 132 VAL H . 25231 1 410 . 1 1 133 133 VAL CA C 13 59.006 0.3 . 1 . . . . 132 VAL CA . 25231 1 411 . 1 1 133 133 VAL CB C 13 30.449 0.3 . 1 . . . . 132 VAL CB . 25231 1 412 . 1 1 133 133 VAL N N 15 105.148 0.3 . 1 . . . . 132 VAL N . 25231 1 413 . 1 1 134 134 ALA H H 1 7.102 0.020 . 1 . . . . 133 ALA H . 25231 1 414 . 1 1 134 134 ALA CA C 13 51.618 0.3 . 1 . . . . 133 ALA CA . 25231 1 415 . 1 1 134 134 ALA CB C 13 19.396 0.3 . 1 . . . . 133 ALA CB . 25231 1 416 . 1 1 134 134 ALA N N 15 126.095 0.3 . 1 . . . . 133 ALA N . 25231 1 417 . 1 1 135 135 ALA H H 1 8.698 0.020 . 1 . . . . 134 ALA H . 25231 1 418 . 1 1 135 135 ALA CA C 13 51.026 0.3 . 1 . . . . 134 ALA CA . 25231 1 419 . 1 1 135 135 ALA CB C 13 20.403 0.3 . 1 . . . . 134 ALA CB . 25231 1 420 . 1 1 135 135 ALA N N 15 123.556 0.3 . 1 . . . . 134 ALA N . 25231 1 421 . 1 1 136 136 GLY H H 1 8.549 0.020 . 1 . . . . 135 GLY H . 25231 1 422 . 1 1 136 136 GLY CA C 13 46.169 0.3 . 1 . . . . 135 GLY CA . 25231 1 423 . 1 1 136 136 GLY N N 15 108.224 0.3 . 1 . . . . 135 GLY N . 25231 1 424 . 1 1 138 138 ASP H H 1 8.205 0.020 . 1 . . . . 137 ASP H . 25231 1 425 . 1 1 138 138 ASP CA C 13 55.137 0.3 . 1 . . . . 137 ASP CA . 25231 1 426 . 1 1 138 138 ASP CB C 13 40.128 0.3 . 1 . . . . 137 ASP CB . 25231 1 427 . 1 1 138 138 ASP N N 15 118.722 0.3 . 1 . . . . 137 ASP N . 25231 1 428 . 1 1 139 139 LYS H H 1 7.274 0.020 . 1 . . . . 138 LYS H . 25231 1 429 . 1 1 139 139 LYS CA C 13 60.148 0.3 . 1 . . . . 138 LYS CA . 25231 1 430 . 1 1 139 139 LYS CB C 13 31.953 0.3 . 1 . . . . 138 LYS CB . 25231 1 431 . 1 1 139 139 LYS N N 15 119.601 0.3 . 1 . . . . 138 LYS N . 25231 1 432 . 1 1 140 140 LYS H H 1 7.860 0.020 . 1 . . . . 139 LYS H . 25231 1 433 . 1 1 140 140 LYS CA C 13 59.618 0.3 . 1 . . . . 139 LYS CA . 25231 1 434 . 1 1 140 140 LYS CB C 13 31.048 0.3 . 1 . . . . 139 LYS CB . 25231 1 435 . 1 1 140 140 LYS N N 15 117.892 0.3 . 1 . . . . 139 LYS N . 25231 1 436 . 1 1 141 141 GLY H H 1 8.040 0.020 . 1 . . . . 140 GLY H . 25231 1 437 . 1 1 141 141 GLY CA C 13 46.465 0.3 . 1 . . . . 140 GLY CA . 25231 1 438 . 1 1 141 141 GLY N N 15 105.147 0.3 . 1 . . . . 140 GLY N . 25231 1 439 . 1 1 142 142 ILE H H 1 7.305 0.020 . 1 . . . . 141 ILE H . 25231 1 440 . 1 1 142 142 ILE CA C 13 64.223 0.3 . 1 . . . . 141 ILE CA . 25231 1 441 . 1 1 142 142 ILE CB C 13 37.712 0.3 . 1 . . . . 141 ILE CB . 25231 1 442 . 1 1 142 142 ILE N N 15 123.362 0.3 . 1 . . . . 141 ILE N . 25231 1 443 . 1 1 143 143 VAL H H 1 8.470 0.020 . 1 . . . . 142 VAL H . 25231 1 444 . 1 1 143 143 VAL CA C 13 67.123 0.3 . 1 . . . . 142 VAL CA . 25231 1 445 . 1 1 143 143 VAL CB C 13 30.685 0.3 . 1 . . . . 142 VAL CB . 25231 1 446 . 1 1 143 143 VAL N N 15 121.267 0.3 . 1 . . . . 142 VAL N . 25231 1 447 . 1 1 144 144 ASP H H 1 7.946 0.020 . 1 . . . . 143 ASP H . 25231 1 448 . 1 1 144 144 ASP CA C 13 57.075 0.3 . 1 . . . . 143 ASP CA . 25231 1 449 . 1 1 144 144 ASP CB C 13 39.763 0.3 . 1 . . . . 143 ASP CB . 25231 1 450 . 1 1 144 144 ASP N N 15 118.674 0.3 . 1 . . . . 143 ASP N . 25231 1 451 . 1 1 145 145 GLN H H 1 7.297 0.020 . 1 . . . . 144 GLN H . 25231 1 452 . 1 1 145 145 GLN CA C 13 58.403 0.3 . 1 . . . . 144 GLN CA . 25231 1 453 . 1 1 145 145 GLN CB C 13 26.334 0.3 . 1 . . . . 144 GLN CB . 25231 1 454 . 1 1 145 145 GLN N N 15 118.576 0.3 . 1 . . . . 144 GLN N . 25231 1 455 . 1 1 147 147 GLN H H 1 8.236 0.020 . 1 . . . . 146 GLN H . 25231 1 456 . 1 1 147 147 GLN CA C 13 59.371 0.3 . 1 . . . . 146 GLN CA . 25231 1 457 . 1 1 147 147 GLN CB C 13 27.781 0.3 . 1 . . . . 146 GLN CB . 25231 1 458 . 1 1 147 147 GLN N N 15 116.429 0.3 . 1 . . . . 146 GLN N . 25231 1 459 . 1 1 148 148 GLN H H 1 8.056 0.020 . 1 . . . . 147 GLN H . 25231 1 460 . 1 1 148 148 GLN CA C 13 58.404 0.3 . 1 . . . . 147 GLN CA . 25231 1 461 . 1 1 148 148 GLN CB C 13 27.498 0.3 . 1 . . . . 147 GLN CB . 25231 1 462 . 1 1 148 148 GLN N N 15 115.792 0.3 . 1 . . . . 147 GLN N . 25231 1 463 . 1 1 149 149 ALA H H 1 7.180 0.020 . 1 . . . . 148 ALA H . 25231 1 464 . 1 1 149 149 ALA CA C 13 54.657 0.3 . 1 . . . . 148 ALA CA . 25231 1 465 . 1 1 149 149 ALA CB C 13 16.285 0.3 . 1 . . . . 148 ALA CB . 25231 1 466 . 1 1 149 149 ALA N N 15 123.166 0.3 . 1 . . . . 148 ALA N . 25231 1 467 . 1 1 150 150 TYR H H 1 7.587 0.020 . 1 . . . . 149 TYR H . 25231 1 468 . 1 1 150 150 TYR CA C 13 59.616 0.3 . 1 . . . . 149 TYR CA . 25231 1 469 . 1 1 150 150 TYR CB C 13 34.437 0.3 . 1 . . . . 149 TYR CB . 25231 1 470 . 1 1 150 150 TYR N N 15 115.262 0.3 . 1 . . . . 149 TYR N . 25231 1 471 . 1 1 151 151 GLN H H 1 8.510 0.020 . 1 . . . . 150 GLN H . 25231 1 472 . 1 1 151 151 GLN CA C 13 58.768 0.3 . 1 . . . . 150 GLN CA . 25231 1 473 . 1 1 151 151 GLN CB C 13 27.663 0.3 . 1 . . . . 150 GLN CB . 25231 1 474 . 1 1 151 151 GLN N N 15 118.430 0.3 . 1 . . . . 150 GLN N . 25231 1 475 . 1 1 152 152 GLU H H 1 8.033 0.020 . 1 . . . . 151 GLU H . 25231 1 476 . 1 1 152 152 GLU CA C 13 59.134 0.3 . 1 . . . . 151 GLU CA . 25231 1 477 . 1 1 152 152 GLU CB C 13 28.757 0.3 . 1 . . . . 151 GLU CB . 25231 1 478 . 1 1 152 152 GLU N N 15 121.064 0.3 . 1 . . . . 151 GLU N . 25231 1 479 . 1 1 158 158 LYS H H 1 7.633 0.020 . 1 . . . . 157 LYS H . 25231 1 480 . 1 1 158 158 LYS CA C 13 58.412 0.3 . 1 . . . . 157 LYS CA . 25231 1 481 . 1 1 158 158 LYS CB C 13 31.144 0.3 . 1 . . . . 157 LYS CB . 25231 1 482 . 1 1 158 158 LYS N N 15 119.504 0.3 . 1 . . . . 157 LYS N . 25231 1 483 . 1 1 159 159 LYS H H 1 7.078 0.020 . 1 . . . . 158 LYS H . 25231 1 484 . 1 1 159 159 LYS CA C 13 57.436 0.3 . 1 . . . . 158 LYS CA . 25231 1 485 . 1 1 159 159 LYS CB C 13 33.266 0.3 . 1 . . . . 158 LYS CB . 25231 1 486 . 1 1 159 159 LYS N N 15 116.966 0.3 . 1 . . . . 158 LYS N . 25231 1 487 . 1 1 160 160 GLU H H 1 7.917 0.020 . 1 . . . . 159 GLU H . 25231 1 488 . 1 1 160 160 GLU CA C 13 56.231 0.3 . 1 . . . . 159 GLU CA . 25231 1 489 . 1 1 160 160 GLU CB C 13 31.397 0.3 . 1 . . . . 159 GLU CB . 25231 1 490 . 1 1 160 160 GLU N N 15 113.298 0.3 . 1 . . . . 159 GLU N . 25231 1 491 . 1 1 161 161 MET H H 1 7.860 0.020 . 1 . . . . 160 MET H . 25231 1 492 . 1 1 161 161 MET CA C 13 54.224 0.3 . 1 . . . . 160 MET CA . 25231 1 493 . 1 1 161 161 MET CB C 13 35.330 0.3 . 1 . . . . 160 MET CB . 25231 1 494 . 1 1 161 161 MET N N 15 117.062 0.3 . 1 . . . . 160 MET N . 25231 1 495 . 1 1 162 162 GLN H H 1 9.167 0.020 . 1 . . . . 161 GLN H . 25231 1 496 . 1 1 162 162 GLN CA C 13 54.343 0.3 . 1 . . . . 161 GLN CA . 25231 1 497 . 1 1 162 162 GLN CB C 13 27.452 0.3 . 1 . . . . 161 GLN CB . 25231 1 498 . 1 1 162 162 GLN N N 15 122.872 0.3 . 1 . . . . 161 GLN N . 25231 1 499 . 1 1 163 163 PRO CA C 13 64.768 0.3 . 1 . . . . 162 PRO CA . 25231 1 500 . 1 1 163 163 PRO CB C 13 31.813 0.3 . 1 . . . . 162 PRO CB . 25231 1 501 . 1 1 164 164 THR H H 1 6.812 0.020 . 1 . . . . 163 THR H . 25231 1 502 . 1 1 164 164 THR CA C 13 60.148 0.3 . 1 . . . . 163 THR CA . 25231 1 503 . 1 1 164 164 THR CB C 13 68.736 0.3 . 1 . . . . 163 THR CB . 25231 1 504 . 1 1 164 164 THR N N 15 125.069 0.3 . 1 . . . . 163 THR N . 25231 1 505 . 1 1 165 165 HIS H H 1 7.962 0.020 . 1 . . . . 164 HIS H . 25231 1 506 . 1 1 165 165 HIS CA C 13 56.475 0.3 . 1 . . . . 164 HIS CA . 25231 1 507 . 1 1 165 165 HIS CB C 13 31.776 0.3 . 1 . . . . 164 HIS CB . 25231 1 508 . 1 1 165 165 HIS N N 15 127.071 0.3 . 1 . . . . 164 HIS N . 25231 1 509 . 1 1 168 168 ARG H H 1 6.804 0.020 . 1 . . . . 167 ARG H . 25231 1 510 . 1 1 168 168 ARG CA C 13 59.738 0.3 . 1 . . . . 167 ARG CA . 25231 1 511 . 1 1 168 168 ARG CB C 13 29.355 0.3 . 1 . . . . 167 ARG CB . 25231 1 512 . 1 1 168 168 ARG N N 15 122.043 0.3 . 1 . . . . 167 ARG N . 25231 1 513 . 1 1 169 169 LEU H H 1 8.557 0.020 . 1 . . . . 168 LEU H . 25231 1 514 . 1 1 169 169 LEU CA C 13 57.556 0.3 . 1 . . . . 168 LEU CA . 25231 1 515 . 1 1 169 169 LEU CB C 13 41.941 0.3 . 1 . . . . 168 LEU CB . 25231 1 516 . 1 1 169 169 LEU N N 15 119.651 0.3 . 1 . . . . 168 LEU N . 25231 1 517 . 1 1 170 170 GLY H H 1 8.525 0.020 . 1 . . . . 169 GLY H . 25231 1 518 . 1 1 170 170 GLY CA C 13 46.423 0.3 . 1 . . . . 169 GLY CA . 25231 1 519 . 1 1 170 170 GLY N N 15 107.250 0.3 . 1 . . . . 169 GLY N . 25231 1 520 . 1 1 171 171 LEU H H 1 7.915 0.020 . 1 . . . . 170 LEU H . 25231 1 521 . 1 1 171 171 LEU CA C 13 57.560 0.3 . 1 . . . . 170 LEU CA . 25231 1 522 . 1 1 171 171 LEU CB C 13 40.008 0.3 . 1 . . . . 170 LEU CB . 25231 1 523 . 1 1 171 171 LEU N N 15 123.122 0.3 . 1 . . . . 170 LEU N . 25231 1 524 . 1 1 172 172 ALA H H 1 8.056 0.020 . 1 . . . . 171 ALA H . 25231 1 525 . 1 1 172 172 ALA CA C 13 55.376 0.3 . 1 . . . . 171 ALA CA . 25231 1 526 . 1 1 172 172 ALA CB C 13 16.890 0.3 . 1 . . . . 171 ALA CB . 25231 1 527 . 1 1 172 172 ALA N N 15 122.046 0.3 . 1 . . . . 171 ALA N . 25231 1 528 . 1 1 173 173 LEU H H 1 8.416 0.020 . 1 . . . . 172 LEU H . 25231 1 529 . 1 1 173 173 LEU CA C 13 58.164 0.3 . 1 . . . . 172 LEU CA . 25231 1 530 . 1 1 173 173 LEU CB C 13 40.370 0.3 . 1 . . . . 172 LEU CB . 25231 1 531 . 1 1 173 173 LEU N N 15 119.065 0.3 . 1 . . . . 172 LEU N . 25231 1 532 . 1 1 177 177 VAL H H 1 8.229 0.020 . 1 . . . . 176 VAL H . 25231 1 533 . 1 1 177 177 VAL CA C 13 66.999 0.3 . 1 . . . . 176 VAL CA . 25231 1 534 . 1 1 177 177 VAL CB C 13 30.712 0.3 . 1 . . . . 176 VAL CB . 25231 1 535 . 1 1 177 177 VAL N N 15 124.391 0.3 . 1 . . . . 176 VAL N . 25231 1 536 . 1 1 178 178 PHE H H 1 8.268 0.020 . 1 . . . . 177 PHE H . 25231 1 537 . 1 1 178 178 PHE CA C 13 61.677 0.3 . 1 . . . . 177 PHE CA . 25231 1 538 . 1 1 178 178 PHE CB C 13 37.831 0.3 . 1 . . . . 177 PHE CB . 25231 1 539 . 1 1 178 178 PHE N N 15 121.751 0.3 . 1 . . . . 177 PHE N . 25231 1 540 . 1 1 179 179 TYR H H 1 8.267 0.020 . 1 . . . . 178 TYR H . 25231 1 541 . 1 1 179 179 TYR CA C 13 62.034 0.3 . 1 . . . . 178 TYR CA . 25231 1 542 . 1 1 179 179 TYR CB C 13 36.739 0.3 . 1 . . . . 178 TYR CB . 25231 1 543 . 1 1 179 179 TYR N N 15 120.434 0.3 . 1 . . . . 178 TYR N . 25231 1 544 . 1 1 180 180 TYR H H 1 8.033 0.020 . 1 . . . . 179 TYR H . 25231 1 545 . 1 1 180 180 TYR CA C 13 62.883 0.3 . 1 . . . . 179 TYR CA . 25231 1 546 . 1 1 180 180 TYR CB C 13 38.675 0.3 . 1 . . . . 179 TYR CB . 25231 1 547 . 1 1 180 180 TYR N N 15 119.065 0.3 . 1 . . . . 179 TYR N . 25231 1 548 . 1 1 181 181 GLU H H 1 9.190 0.020 . 1 . . . . 180 GLU H . 25231 1 549 . 1 1 181 181 GLU CA C 13 57.920 0.3 . 1 . . . . 180 GLU CA . 25231 1 550 . 1 1 181 181 GLU CB C 13 30.086 0.3 . 1 . . . . 180 GLU CB . 25231 1 551 . 1 1 181 181 GLU N N 15 114.620 0.3 . 1 . . . . 180 GLU N . 25231 1 552 . 1 1 182 182 ILE H H 1 7.727 0.020 . 1 . . . . 181 ILE H . 25231 1 553 . 1 1 182 182 ILE CA C 13 58.892 0.3 . 1 . . . . 181 ILE CA . 25231 1 554 . 1 1 182 182 ILE CB C 13 33.105 0.3 . 1 . . . . 181 ILE CB . 25231 1 555 . 1 1 182 182 ILE N N 15 116.478 0.3 . 1 . . . . 181 ILE N . 25231 1 556 . 1 1 183 183 LEU H H 1 6.703 0.020 . 1 . . . . 182 LEU H . 25231 1 557 . 1 1 183 183 LEU CA C 13 53.936 0.3 . 1 . . . . 182 LEU CA . 25231 1 558 . 1 1 183 183 LEU CB C 13 40.970 0.3 . 1 . . . . 182 LEU CB . 25231 1 559 . 1 1 183 183 LEU N N 15 116.234 0.3 . 1 . . . . 182 LEU N . 25231 1 560 . 1 1 184 184 ASN H H 1 6.560 0.020 . 1 . . . . 183 ASN H . 25231 1 561 . 1 1 184 184 ASN CA C 13 53.326 0.3 . 1 . . . . 183 ASN CA . 25231 1 562 . 1 1 184 184 ASN CB C 13 36.494 0.3 . 1 . . . . 183 ASN CB . 25231 1 563 . 1 1 184 184 ASN N N 15 114.909 0.3 . 1 . . . . 183 ASN N . 25231 1 564 . 1 1 185 185 SER H H 1 8.134 0.020 . 1 . . . . 184 SER H . 25231 1 565 . 1 1 185 185 SER CA C 13 53.682 0.3 . 1 . . . . 184 SER CA . 25231 1 566 . 1 1 185 185 SER CB C 13 62.521 0.3 . 1 . . . . 184 SER CB . 25231 1 567 . 1 1 185 185 SER N N 15 111.349 0.3 . 1 . . . . 184 SER N . 25231 1 568 . 1 1 186 186 PRO CA C 13 64.821 0.3 . 1 . . . . 185 PRO CA . 25231 1 569 . 1 1 186 186 PRO CB C 13 30.924 0.3 . 1 . . . . 185 PRO CB . 25231 1 570 . 1 1 187 187 GLU H H 1 8.682 0.020 . 1 . . . . 186 GLU H . 25231 1 571 . 1 1 187 187 GLU CA C 13 59.737 0.3 . 1 . . . . 186 GLU CA . 25231 1 572 . 1 1 187 187 GLU CB C 13 27.666 0.3 . 1 . . . . 186 GLU CB . 25231 1 573 . 1 1 187 187 GLU N N 15 118.185 0.3 . 1 . . . . 186 GLU N . 25231 1 574 . 1 1 188 188 LYS H H 1 7.235 0.020 . 1 . . . . 187 LYS H . 25231 1 575 . 1 1 188 188 LYS CA C 13 58.193 0.3 . 1 . . . . 187 LYS CA . 25231 1 576 . 1 1 188 188 LYS CB C 13 30.473 0.3 . 1 . . . . 187 LYS CB . 25231 1 577 . 1 1 188 188 LYS N N 15 120.187 0.3 . 1 . . . . 187 LYS N . 25231 1 578 . 1 1 189 189 ALA H H 1 7.563 0.020 . 1 . . . . 188 ALA H . 25231 1 579 . 1 1 189 189 ALA CA C 13 55.409 0.3 . 1 . . . . 188 ALA CA . 25231 1 580 . 1 1 189 189 ALA CB C 13 19.929 0.3 . 1 . . . . 188 ALA CB . 25231 1 581 . 1 1 189 189 ALA N N 15 121.358 0.3 . 1 . . . . 188 ALA N . 25231 1 582 . 1 1 190 190 CYS H H 1 8.502 0.020 . 1 . . . . 189 CYS H . 25231 1 583 . 1 1 190 190 CYS CA C 13 63.481 0.3 . 1 . . . . 189 CYS CA . 25231 1 584 . 1 1 190 190 CYS CB C 13 26.575 0.3 . 1 . . . . 189 CYS CB . 25231 1 585 . 1 1 190 190 CYS N N 15 113.937 0.3 . 1 . . . . 189 CYS N . 25231 1 586 . 1 1 191 191 SER H H 1 7.727 0.020 . 1 . . . . 190 SER H . 25231 1 587 . 1 1 191 191 SER CA C 13 61.068 0.3 . 1 . . . . 190 SER CA . 25231 1 588 . 1 1 191 191 SER CB C 13 62.154 0.3 . 1 . . . . 190 SER CB . 25231 1 589 . 1 1 191 191 SER N N 15 114.181 0.3 . 1 . . . . 190 SER N . 25231 1 590 . 1 1 192 192 LEU H H 1 7.634 0.020 . 1 . . . . 191 LEU H . 25231 1 591 . 1 1 192 192 LEU CA C 13 58.371 0.3 . 1 . . . . 191 LEU CA . 25231 1 592 . 1 1 192 192 LEU CB C 13 41.134 0.3 . 1 . . . . 191 LEU CB . 25231 1 593 . 1 1 192 192 LEU N N 15 123.556 0.3 . 1 . . . . 191 LEU N . 25231 1 594 . 1 1 193 193 ALA H H 1 8.111 0.020 . 1 . . . . 192 ALA H . 25231 1 595 . 1 1 193 193 ALA CA C 13 55.350 0.3 . 1 . . . . 192 ALA CA . 25231 1 596 . 1 1 193 193 ALA CB C 13 17.679 0.3 . 1 . . . . 192 ALA CB . 25231 1 597 . 1 1 193 193 ALA N N 15 120.675 0.3 . 1 . . . . 192 ALA N . 25231 1 598 . 1 1 194 194 LYS H H 1 8.713 0.020 . 1 . . . . 193 LYS H . 25231 1 599 . 1 1 194 194 LYS CA C 13 59.135 0.3 . 1 . . . . 193 LYS CA . 25231 1 600 . 1 1 194 194 LYS CB C 13 31.772 0.3 . 1 . . . . 193 LYS CB . 25231 1 601 . 1 1 194 194 LYS N N 15 117.550 0.3 . 1 . . . . 193 LYS N . 25231 1 602 . 1 1 195 195 THR H H 1 7.907 0.020 . 1 . . . . 194 THR H . 25231 1 603 . 1 1 195 195 THR CA C 13 66.648 0.3 . 1 . . . . 194 THR CA . 25231 1 604 . 1 1 195 195 THR CB C 13 68.328 0.3 . 1 . . . . 194 THR CB . 25231 1 605 . 1 1 195 195 THR N N 15 114.718 0.3 . 1 . . . . 194 THR N . 25231 1 606 . 1 1 196 196 ALA H H 1 7.868 0.020 . 1 . . . . 195 ALA H . 25231 1 607 . 1 1 196 196 ALA CA C 13 54.639 0.3 . 1 . . . . 195 ALA CA . 25231 1 608 . 1 1 196 196 ALA CB C 13 17.975 0.3 . 1 . . . . 195 ALA CB . 25231 1 609 . 1 1 196 196 ALA N N 15 122.188 0.3 . 1 . . . . 195 ALA N . 25231 1 610 . 1 1 197 197 PHE H H 1 8.338 0.020 . 1 . . . . 196 PHE H . 25231 1 611 . 1 1 197 197 PHE CA C 13 62.040 0.3 . 1 . . . . 196 PHE CA . 25231 1 612 . 1 1 197 197 PHE CB C 13 39.146 0.3 . 1 . . . . 196 PHE CB . 25231 1 613 . 1 1 197 197 PHE N N 15 119.601 0.3 . 1 . . . . 196 PHE N . 25231 1 614 . 1 1 198 198 ASP H H 1 9.073 0.020 . 1 . . . . 197 ASP H . 25231 1 615 . 1 1 198 198 ASP CA C 13 56.890 0.3 . 1 . . . . 197 ASP CA . 25231 1 616 . 1 1 198 198 ASP CB C 13 39.180 0.3 . 1 . . . . 197 ASP CB . 25231 1 617 . 1 1 198 198 ASP N N 15 120.187 0.3 . 1 . . . . 197 ASP N . 25231 1 618 . 1 1 199 199 GLU H H 1 8.479 0.020 . 1 . . . . 198 GLU H . 25231 1 619 . 1 1 199 199 GLU CA C 13 58.963 0.3 . 1 . . . . 198 GLU CA . 25231 1 620 . 1 1 199 199 GLU CB C 13 28.814 0.3 . 1 . . . . 198 GLU CB . 25231 1 621 . 1 1 199 199 GLU N N 15 119.405 0.3 . 1 . . . . 198 GLU N . 25231 1 622 . 1 1 200 200 ALA H H 1 7.289 0.020 . 1 . . . . 199 ALA H . 25231 1 623 . 1 1 200 200 ALA CA C 13 54.224 0.3 . 1 . . . . 199 ALA CA . 25231 1 624 . 1 1 200 200 ALA CB C 13 18.212 0.3 . 1 . . . . 199 ALA CB . 25231 1 625 . 1 1 200 200 ALA N N 15 120.579 0.3 . 1 . . . . 199 ALA N . 25231 1 626 . 1 1 201 201 ILE H H 1 8.228 0.020 . 1 . . . . 200 ILE H . 25231 1 627 . 1 1 201 201 ILE CA C 13 62.161 0.3 . 1 . . . . 200 ILE CA . 25231 1 628 . 1 1 201 201 ILE CB C 13 35.647 0.3 . 1 . . . . 200 ILE CB . 25231 1 629 . 1 1 201 201 ILE N N 15 118.185 0.3 . 1 . . . . 200 ILE N . 25231 1 630 . 1 1 202 202 ALA H H 1 7.203 0.020 . 1 . . . . 201 ALA H . 25231 1 631 . 1 1 202 202 ALA CA C 13 53.691 0.3 . 1 . . . . 201 ALA CA . 25231 1 632 . 1 1 202 202 ALA CB C 13 17.856 0.3 . 1 . . . . 201 ALA CB . 25231 1 633 . 1 1 202 202 ALA N N 15 120.772 0.3 . 1 . . . . 201 ALA N . 25231 1 634 . 1 1 203 203 GLU H H 1 7.219 0.020 . 1 . . . . 202 GLU H . 25231 1 635 . 1 1 203 203 GLU CA C 13 55.172 0.3 . 1 . . . . 202 GLU CA . 25231 1 636 . 1 1 203 203 GLU CB C 13 29.762 0.3 . 1 . . . . 202 GLU CB . 25231 1 637 . 1 1 203 203 GLU N N 15 115.108 0.3 . 1 . . . . 202 GLU N . 25231 1 638 . 1 1 204 204 LEU H H 1 7.430 0.020 . 1 . . . . 203 LEU H . 25231 1 639 . 1 1 204 204 LEU CA C 13 57.682 0.3 . 1 . . . . 203 LEU CA . 25231 1 640 . 1 1 204 204 LEU CB C 13 41.583 0.3 . 1 . . . . 203 LEU CB . 25231 1 641 . 1 1 204 204 LEU N N 15 123.366 0.3 . 1 . . . . 203 LEU N . 25231 1 642 . 1 1 205 205 ASP H H 1 8.291 0.020 . 1 . . . . 204 ASP H . 25231 1 643 . 1 1 205 205 ASP CA C 13 55.861 0.3 . 1 . . . . 204 ASP CA . 25231 1 644 . 1 1 205 205 ASP CB C 13 39.765 0.3 . 1 . . . . 204 ASP CB . 25231 1 645 . 1 1 205 205 ASP N N 15 115.890 0.3 . 1 . . . . 204 ASP N . 25231 1 646 . 1 1 206 206 THR H H 1 7.704 0.020 . 1 . . . . 205 THR H . 25231 1 647 . 1 1 206 206 THR CA C 13 61.688 0.3 . 1 . . . . 205 THR CA . 25231 1 648 . 1 1 206 206 THR CB C 13 69.506 0.3 . 1 . . . . 205 THR CB . 25231 1 649 . 1 1 206 206 THR N N 15 109.249 0.3 . 1 . . . . 205 THR N . 25231 1 650 . 1 1 207 207 LEU H H 1 7.415 0.020 . 1 . . . . 206 LEU H . 25231 1 651 . 1 1 207 207 LEU CA C 13 54.817 0.3 . 1 . . . . 206 LEU CA . 25231 1 652 . 1 1 207 207 LEU CB C 13 42.260 0.3 . 1 . . . . 206 LEU CB . 25231 1 653 . 1 1 207 207 LEU N N 15 123.458 0.3 . 1 . . . . 206 LEU N . 25231 1 654 . 1 1 208 208 SER H H 1 8.338 0.020 . 1 . . . . 207 SER H . 25231 1 655 . 1 1 208 208 SER CA C 13 57.434 0.3 . 1 . . . . 207 SER CA . 25231 1 656 . 1 1 208 208 SER CB C 13 63.729 0.3 . 1 . . . . 207 SER CB . 25231 1 657 . 1 1 208 208 SER N N 15 118.429 0.3 . 1 . . . . 207 SER N . 25231 1 658 . 1 1 209 209 GLU H H 1 8.658 0.020 . 1 . . . . 208 GLU H . 25231 1 659 . 1 1 209 209 GLU CA C 13 59.022 0.3 . 1 . . . . 208 GLU CA . 25231 1 660 . 1 1 209 209 GLU CB C 13 28.873 0.3 . 1 . . . . 208 GLU CB . 25231 1 661 . 1 1 209 209 GLU N N 15 122.384 0.3 . 1 . . . . 208 GLU N . 25231 1 662 . 1 1 210 210 GLU H H 1 8.643 0.020 . 1 . . . . 209 GLU H . 25231 1 663 . 1 1 210 210 GLU CA C 13 58.765 0.3 . 1 . . . . 209 GLU CA . 25231 1 664 . 1 1 210 210 GLU CB C 13 28.508 0.3 . 1 . . . . 209 GLU CB . 25231 1 665 . 1 1 210 210 GLU N N 15 118.868 0.3 . 1 . . . . 209 GLU N . 25231 1 666 . 1 1 211 211 SER H H 1 7.681 0.020 . 1 . . . . 210 SER H . 25231 1 667 . 1 1 211 211 SER CA C 13 59.500 0.3 . 1 . . . . 210 SER CA . 25231 1 668 . 1 1 211 211 SER CB C 13 63.303 0.3 . 1 . . . . 210 SER CB . 25231 1 669 . 1 1 211 211 SER N N 15 114.913 0.3 . 1 . . . . 210 SER N . 25231 1 670 . 1 1 212 212 TYR H H 1 8.189 0.020 . 1 . . . . 211 TYR H . 25231 1 671 . 1 1 212 212 TYR CA C 13 60.740 0.3 . 1 . . . . 211 TYR CA . 25231 1 672 . 1 1 212 212 TYR CB C 13 37.877 0.3 . 1 . . . . 211 TYR CB . 25231 1 673 . 1 1 212 212 TYR N N 15 122.384 0.3 . 1 . . . . 211 TYR N . 25231 1 674 . 1 1 213 213 LYS H H 1 8.220 0.020 . 1 . . . . 212 LYS H . 25231 1 675 . 1 1 213 213 LYS CA C 13 59.437 0.3 . 1 . . . . 212 LYS CA . 25231 1 676 . 1 1 213 213 LYS CB C 13 30.947 0.3 . 1 . . . . 212 LYS CB . 25231 1 677 . 1 1 213 213 LYS N N 15 121.700 0.3 . 1 . . . . 212 LYS N . 25231 1 678 . 1 1 214 214 ASP H H 1 8.009 0.020 . 1 . . . . 213 ASP H . 25231 1 679 . 1 1 214 214 ASP CA C 13 56.771 0.3 . 1 . . . . 213 ASP CA . 25231 1 680 . 1 1 214 214 ASP CB C 13 39.890 0.3 . 1 . . . . 213 ASP CB . 25231 1 681 . 1 1 214 214 ASP N N 15 118.478 0.3 . 1 . . . . 213 ASP N . 25231 1 682 . 1 1 215 215 SER H H 1 8.291 0.020 . 1 . . . . 214 SER H . 25231 1 683 . 1 1 215 215 SER CA C 13 62.991 0.3 . 1 . . . . 214 SER CA . 25231 1 684 . 1 1 215 215 SER CB C 13 61.984 0.3 . 1 . . . . 214 SER CB . 25231 1 685 . 1 1 215 215 SER N N 15 115.157 0.3 . 1 . . . . 214 SER N . 25231 1 686 . 1 1 216 216 THR H H 1 8.103 0.020 . 1 . . . . 215 THR H . 25231 1 687 . 1 1 216 216 THR CA C 13 65.786 0.3 . 1 . . . . 215 THR CA . 25231 1 688 . 1 1 216 216 THR CB C 13 68.209 0.3 . 1 . . . . 215 THR CB . 25231 1 689 . 1 1 216 216 THR N N 15 114.864 0.3 . 1 . . . . 215 THR N . 25231 1 690 . 1 1 217 217 LEU H H 1 7.540 0.020 . 1 . . . . 216 LEU H . 25231 1 691 . 1 1 217 217 LEU CA C 13 58.193 0.3 . 1 . . . . 216 LEU CA . 25231 1 692 . 1 1 217 217 LEU CB C 13 40.660 0.3 . 1 . . . . 216 LEU CB . 25231 1 693 . 1 1 217 217 LEU N N 15 123.458 0.3 . 1 . . . . 216 LEU N . 25231 1 694 . 1 1 218 218 ILE H H 1 7.211 0.020 . 1 . . . . 217 ILE H . 25231 1 695 . 1 1 218 218 ILE CA C 13 64.208 0.3 . 1 . . . . 217 ILE CA . 25231 1 696 . 1 1 218 218 ILE CB C 13 36.614 0.3 . 1 . . . . 217 ILE CB . 25231 1 697 . 1 1 218 218 ILE N N 15 117.989 0.3 . 1 . . . . 217 ILE N . 25231 1 698 . 1 1 219 219 MET H H 1 8.291 0.020 . 1 . . . . 218 MET H . 25231 1 699 . 1 1 219 219 MET CA C 13 59.742 0.3 . 1 . . . . 218 MET CA . 25231 1 700 . 1 1 219 219 MET CB C 13 32.503 0.3 . 1 . . . . 218 MET CB . 25231 1 701 . 1 1 219 219 MET N N 15 118.771 0.3 . 1 . . . . 218 MET N . 25231 1 702 . 1 1 220 220 GLN H H 1 7.797 0.020 . 1 . . . . 219 GLN H . 25231 1 703 . 1 1 220 220 GLN CA C 13 58.290 0.3 . 1 . . . . 219 GLN CA . 25231 1 704 . 1 1 220 220 GLN CB C 13 27.178 0.3 . 1 . . . . 219 GLN CB . 25231 1 705 . 1 1 220 220 GLN N N 15 118.337 0.3 . 1 . . . . 219 GLN N . 25231 1 706 . 1 1 221 221 LEU H H 1 7.430 0.020 . 1 . . . . 220 LEU H . 25231 1 707 . 1 1 221 221 LEU CA C 13 57.541 0.3 . 1 . . . . 220 LEU CA . 25231 1 708 . 1 1 221 221 LEU CB C 13 40.601 0.3 . 1 . . . . 220 LEU CB . 25231 1 709 . 1 1 221 221 LEU N N 15 119.749 0.3 . 1 . . . . 220 LEU N . 25231 1 710 . 1 1 223 223 ARG H H 1 7.876 0.020 . 1 . . . . 222 ARG H . 25231 1 711 . 1 1 223 223 ARG CA C 13 58.405 0.3 . 1 . . . . 222 ARG CA . 25231 1 712 . 1 1 223 223 ARG CB C 13 28.628 0.3 . 1 . . . . 222 ARG CB . 25231 1 713 . 1 1 223 223 ARG N N 15 118.868 0.3 . 1 . . . . 222 ARG N . 25231 1 714 . 1 1 224 224 ASP H H 1 8.721 0.020 . 1 . . . . 223 ASP H . 25231 1 715 . 1 1 224 224 ASP CA C 13 56.890 0.3 . 1 . . . . 223 ASP CA . 25231 1 716 . 1 1 224 224 ASP CB C 13 38.884 0.3 . 1 . . . . 223 ASP CB . 25231 1 717 . 1 1 224 224 ASP N N 15 121.798 0.3 . 1 . . . . 223 ASP N . 25231 1 718 . 1 1 225 225 ASN H H 1 7.579 0.020 . 1 . . . . 224 ASN H . 25231 1 719 . 1 1 225 225 ASN CA C 13 54.758 0.3 . 1 . . . . 224 ASN CA . 25231 1 720 . 1 1 225 225 ASN CB C 13 34.974 0.3 . 1 . . . . 224 ASN CB . 25231 1 721 . 1 1 225 225 ASN N N 15 120.675 0.3 . 1 . . . . 224 ASN N . 25231 1 722 . 1 1 226 226 LEU H H 1 7.657 0.020 . 1 . . . . 225 LEU H . 25231 1 723 . 1 1 226 226 LEU CA C 13 58.043 0.3 . 1 . . . . 225 LEU CA . 25231 1 724 . 1 1 226 226 LEU CB C 13 40.732 0.3 . 1 . . . . 225 LEU CB . 25231 1 725 . 1 1 226 226 LEU N N 15 119.112 0.3 . 1 . . . . 225 LEU N . 25231 1 726 . 1 1 227 227 THR H H 1 7.939 0.020 . 1 . . . . 226 THR H . 25231 1 727 . 1 1 227 227 THR CA C 13 66.009 0.3 . 1 . . . . 226 THR CA . 25231 1 728 . 1 1 227 227 THR CB C 13 68.179 0.3 . 1 . . . . 226 THR CB . 25231 1 729 . 1 1 227 227 THR N N 15 116.622 0.3 . 1 . . . . 226 THR N . 25231 1 730 . 1 1 228 228 LEU H H 1 7.258 0.020 . 1 . . . . 227 LEU H . 25231 1 731 . 1 1 228 228 LEU CA C 13 57.541 0.3 . 1 . . . . 227 LEU CA . 25231 1 732 . 1 1 228 228 LEU CB C 13 40.957 0.3 . 1 . . . . 227 LEU CB . 25231 1 733 . 1 1 228 228 LEU N N 15 123.604 0.3 . 1 . . . . 227 LEU N . 25231 1 734 . 1 1 229 229 TRP H H 1 8.664 0.020 . 1 . . . . 228 TRP H . 25231 1 735 . 1 1 229 229 TRP CA C 13 56.336 0.3 . 1 . . . . 228 TRP CA . 25231 1 736 . 1 1 229 229 TRP CB C 13 30.199 0.3 . 1 . . . . 228 TRP CB . 25231 1 737 . 1 1 229 229 TRP N N 15 118.873 0.3 . 1 . . . . 228 TRP N . 25231 1 738 . 1 1 230 230 THR H H 1 7.712 0.020 . 1 . . . . 229 THR H . 25231 1 739 . 1 1 230 230 THR CA C 13 62.280 0.3 . 1 . . . . 229 THR CA . 25231 1 740 . 1 1 230 230 THR CB C 13 69.684 0.3 . 1 . . . . 229 THR CB . 25231 1 741 . 1 1 230 230 THR N N 15 109.786 0.3 . 1 . . . . 229 THR N . 25231 1 742 . 1 1 231 231 SER H H 1 7.688 0.020 . 1 . . . . 230 SER H . 25231 1 743 . 1 1 231 231 SER CA C 13 59.022 0.3 . 1 . . . . 230 SER CA . 25231 1 744 . 1 1 231 231 SER CB C 13 63.287 0.3 . 1 . . . . 230 SER CB . 25231 1 745 . 1 1 231 231 SER N N 15 118.282 0.3 . 1 . . . . 230 SER N . 25231 1 746 . 1 1 232 232 ASP H H 1 8.291 0.020 . 1 . . . . 231 ASP H . 25231 1 747 . 1 1 232 232 ASP CA C 13 54.343 0.3 . 1 . . . . 231 ASP CA . 25231 1 748 . 1 1 232 232 ASP CB C 13 40.601 0.3 . 1 . . . . 231 ASP CB . 25231 1 749 . 1 1 232 232 ASP N N 15 122.433 0.3 . 1 . . . . 231 ASP N . 25231 1 750 . 1 1 233 233 THR H H 1 7.954 0.020 . 1 . . . . 232 THR H . 25231 1 751 . 1 1 233 233 THR CA C 13 61.551 0.3 . 1 . . . . 232 THR CA . 25231 1 752 . 1 1 233 233 THR CB C 13 69.537 0.3 . 1 . . . . 232 THR CB . 25231 1 753 . 1 1 233 233 THR N N 15 114.083 0.3 . 1 . . . . 232 THR N . 25231 1 754 . 1 1 234 234 GLN H H 1 7.892 0.020 . 1 . . . . 233 GLN H . 25231 1 755 . 1 1 234 234 GLN CA C 13 57.186 0.3 . 1 . . . . 233 GLN CA . 25231 1 756 . 1 1 234 234 GLN CB C 13 29.525 0.3 . 1 . . . . 233 GLN CB . 25231 1 stop_ save_