data_19787 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19787 _Entry.Title ; Human FKBP51-FK506 binding domain 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-11 _Entry.Accession_date 2014-02-11 _Entry.Last_release_date 2014-08-06 _Entry.Original_release_date 2014-08-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Human FKBP51-FK506 binding domain 1' _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 Sourajit Mustafi . Mitra . 19787 2 David LeMaster . M. . 19787 3 Griselda Hernandez . . . 19787 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Wadsworth Center-NYS DOH' . 19787 2 . 'School of Public Health, University at Albany SUNY' . 19787 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19787 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 351 19787 '15N chemical shifts' 114 19787 '1H chemical shifts' 250 19787 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-08-06 2014-02-11 original author . 19787 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19788 FKBP52 19787 PDB 3O5P 'X-ray structure of FKBP51-FK506 binding domain 1' 19787 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19787 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24749623 _Citation.Full_citation . _Citation.Title 'Differential Conformational Dynamics in the Closely Homologous FK506-binding Domains of FKBP51 and FKBP52' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem J.' _Citation.Journal_name_full . _Citation.Journal_volume 461 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 115 _Citation.Page_last 123 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sourajit Mustafi . Mitra . 19787 1 2 David LeMaster . M. . 19787 1 3 Griselda Hernandez . . . 19787 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'conformational dynamics' 19787 1 'FKBP51 and FKBP52' 19787 1 NMR 19787 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19787 _Assembly.ID 1 _Assembly.Name FKBP51 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13537.59 _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 FKBP51 1 $FKBP51 A . yes native no no . . . 19787 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3O5P . . X-ray 1.00 . . 19787 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Hsp 90 binding' 19787 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FKBP51 _Entity.Sf_category entity _Entity.Sf_framecode FKBP51 _Entity.Entry_ID 19787 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FKBP51 _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 ; MEQGEDITSKKDRGVLKIVK RVGNGEETPMIGDKVYVHYK GKLSNGKKFDSSHDRNEPFV FSLGKGQVIKAWDIGVATMK KGEICHLLCKPEYAYGSAGS LPKIPSNATLFFEIELLDFK GE ; _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 122 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13537.59 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 3O5P . FKBP51 . . . . . . . . . . . . . . 19787 1 2 no PDB 3O5E . "Fk1 Domain Of Fkbp51, Crystal Form Vi" . . . . . 99.18 144 100.00 100.00 1.46e-82 . . . . 19787 1 3 no PDB 3O5F . "Fk1 Domain Of Fkbp51, Crystal Form Vii" . . . . . 99.18 144 100.00 100.00 1.46e-82 . . . . 19787 1 4 no PDB 3O5G . "Fk1 Domain Of Fkbp51, Crystal Form I" . . . . . 99.18 128 100.00 100.00 6.20e-82 . . . . 19787 1 5 no PDB 3O5I . "Fk1 Domain Of Fkbp51, Crystal Form Ii" . . . . . 99.18 128 100.00 100.00 6.20e-82 . . . . 19787 1 6 no PDB 3O5J . "Fk1 Domain Of Fkbp51, Crystal Form Iii" . . . . . 99.18 128 100.00 100.00 6.20e-82 . . . . 19787 1 7 no PDB 3O5K . "Fk1 Domain Of Fkbp51, Crystal Form Viii" . . . . . 99.18 128 100.00 100.00 6.20e-82 . . . . 19787 1 8 no PDB 3O5L . "Fk1 Domain Mutant A19t Of Fkbp51, Crystal Form I" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 9 no PDB 3O5M . "Fk1 Domain Mutant A19t Of Fkbp51, Crystal Form Ii" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 10 no PDB 3O5O . "Fk1 Domain Mutant A19t Of Fkbp51, Crystal Form Iii" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 11 no PDB 3O5P . "Fk1 Domain Mutant A19t Of Fkbp51, Crystal Form Iv" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 12 no PDB 3O5Q . "Fk1 Domain Mutant A19t Of Fkbp51, Crystal Form Iv, In Presence Of Dmso" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 13 no PDB 3O5R . "Complex Of Fk506 With The Fk1 Domain Mutant A19t Of Fkbp51" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 14 no PDB 4DRH . "Co-crystal Structure Of The Ppiase Domain Of Fkbp51, Rapamycin And The Frb Fragment Of Mtor At Low Ph" . . . . . 99.18 144 100.00 100.00 2.64e-82 . . . . 19787 1 15 no PDB 4DRI . "Co-crystal Structure Of The Ppiase Domain Of Fkbp51, Rapamycin And The Frb Fragment Of Mtor" . . . . . 99.18 144 100.00 100.00 2.64e-82 . . . . 19787 1 16 no PDB 4DRK . "Evaluation Of Synthetic Fk506 Analogs As Ligands For Fkbp51 And Fkbp52: Complex Of Fkbp51 With {3-[(1r)-3-(3,4-Dimethoxyphenyl)" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 17 no PDB 4DRM . "Evaluation Of Synthetic Fk506 Analogs As Ligands For Fkbp51 And Fkbp52: Complex Of Fkbp51 With {3-[(1r)-3-(3,4-Dimethoxyphenyl)" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 18 no PDB 4DRN . "Evaluation Of Synthetic Fk506 Analogs As Ligands For Fkbp51 And Fkbp52: Complex Of Fkbp51 With {3-[(1r)-3-(3,4-Dimethoxyphenyl)" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 19 no PDB 4DRO . "Evaluation Of Synthetic Fk506 Analogs As Ligands For Fkbp51 And Fkbp52: Complex Of Fkbp51 With (1r)-3-(3,4-Dimethoxyphenyl)-1- " . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 20 no PDB 4DRP . "Evaluation Of Synthetic Fk506 Analogs As Ligands For The Fk506-Binding Proteins 51 And 52: Complex Of Fkbp51 With 2-(3-((R)-3-(" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 21 no PDB 4DRQ . "Exploration Of Pipecolate Sulfonamides As Binders Of The Fk506-Binding Proteins 51 And 52: Complex Of Fkbp51 With 2-(3-((R)-1-(" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 22 no PDB 4JFI . "Increasing The Efficiency Efficiency Of Ligands For The Fk506-binding Protein 51 By Conformational Control: Complex Of Fkbp51 W" . . . . . 98.36 127 100.00 100.00 2.89e-81 . . . . 19787 1 23 no PDB 4JFJ . "Increasing The Efficiency Efficiency Of Ligands For The Fk506-binding Protein 51 By Conformational Control: Complex Of Fkbp51 W" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 24 no PDB 4JFK . "Increasing The Efficiency Efficiency Of Ligands For The Fk506-binding Protein 51 By Conformational Control: Complex Of Fkbp51 W" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 25 no PDB 4JFL . "Increasing The Efficiency Efficiency Of Ligands For The Fk506-binding Protein 51 By Conformational Control: Complex Of Fkbp51 W" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 26 no PDB 4JFM . "Increasing The Efficiency Efficiency Of Ligands For The Fk506-binding Protein 51 By Conformational Control: Complex Of Fkbp51 W" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 27 no PDB 4R0X . "Allosteric Coupling Of Conformational Transitions In The Fk1 Domain Of Fkbp51 Near The Site Of Steroid Receptor Interaction" . . . . . 100.00 122 99.18 99.18 8.90e-82 . . . . 19787 1 28 no PDB 4TW6 . "The Fk1 Domain Of Fkbp51 In Complex With Ifit1" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 29 no PDB 4TW7 . "The Fk1 Domain Of Fkbp51 In Complex With Ifit4" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 30 no PDB 4TX0 . "The Fk1 Domain Of Fkbp51 In Complex With (1s,5s,6r)-10-[(3,5- Dichlorophenyl)sulfonyl]-5-(2-methoxyethoxy)-3-(2-methoxyethyl)-3" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 31 no PDB 4W9O . "The Fk1 Domain Of Fkbp51 In Complex With (1s,5s,6r)-10-[(3,5- Dichlorophenyl)sulfonyl]-5-[(1r)-1,2-dihydroxyethyl]-3-[2-(3,4- D" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 32 no PDB 4W9P . "The Fk1 Domain Of Fkbp51 In Complex With (1s,5s,6r)-10-[(3,5- Dichlorophenyl)sulfonyl]-5-[(1s)-1,2-dihydroxyethyl]-3-[2-(3,4- D" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 33 no PDB 4W9Q . "The Fk1 Domain Of Fkbp51 In Complex With (1s,5s,6r)-10-[(3,5- Dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethy" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 34 no PDB 5DIT . "The Fk1 Domain Of Fkbp51 In Complex With The New Synthetic Ligand (1r)-3-(3,4-dimethoxyphenyl)-1-f3-[2-(morpholin-4-yl) Ethoxy]" . . . . . 99.18 128 100.00 100.00 6.61e-82 . . . . 19787 1 35 no DBJ BAD93130 . "FK506 binding protein 5 variant [Homo sapiens]" . . . . . 95.08 267 97.41 98.28 1.14e-73 . . . . 19787 1 36 no GB AAI18470 . "FKBP5 protein [Bos taurus]" . . . . . 99.18 158 98.35 98.35 1.40e-80 . . . . 19787 1 37 no REF NP_001139249 . "peptidyl-prolyl cis-trans isomerase FKBP5 isoform 2 [Homo sapiens]" . . . . . 99.18 268 100.00 100.00 1.26e-79 . . . . 19787 1 38 no REF XP_003897552 . "PREDICTED: peptidyl-prolyl cis-trans isomerase FKBP5-like [Papio anubis]" . . . . . 99.18 172 99.17 99.17 3.07e-81 . . . . 19787 1 39 no REF XP_012387759 . "PREDICTED: peptidyl-prolyl cis-trans isomerase FKBP5 isoform X2 [Orcinus orca]" . . . . . 99.18 257 99.17 99.17 4.17e-79 . . . . 19787 1 40 no REF XP_013833287 . "PREDICTED: peptidyl-prolyl cis-trans isomerase FKBP5 isoform X6 [Sus scrofa]" . . . . . 99.18 272 99.17 99.17 7.58e-79 . . . . 19787 1 41 no REF XP_013833288 . "PREDICTED: peptidyl-prolyl cis-trans isomerase FKBP5 isoform X7 [Sus scrofa]" . . . . . 99.18 271 99.17 99.17 6.59e-79 . . . . 19787 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Hsp90 binding protein' 19787 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 19 MET . 19787 1 2 20 GLU . 19787 1 3 21 GLN . 19787 1 4 22 GLY . 19787 1 5 23 GLU . 19787 1 6 24 ASP . 19787 1 7 25 ILE . 19787 1 8 26 THR . 19787 1 9 27 SER . 19787 1 10 28 LYS . 19787 1 11 29 LYS . 19787 1 12 30 ASP . 19787 1 13 31 ARG . 19787 1 14 32 GLY . 19787 1 15 33 VAL . 19787 1 16 34 LEU . 19787 1 17 35 LYS . 19787 1 18 36 ILE . 19787 1 19 37 VAL . 19787 1 20 38 LYS . 19787 1 21 39 ARG . 19787 1 22 40 VAL . 19787 1 23 41 GLY . 19787 1 24 42 ASN . 19787 1 25 43 GLY . 19787 1 26 44 GLU . 19787 1 27 45 GLU . 19787 1 28 46 THR . 19787 1 29 47 PRO . 19787 1 30 48 MET . 19787 1 31 49 ILE . 19787 1 32 50 GLY . 19787 1 33 51 ASP . 19787 1 34 52 LYS . 19787 1 35 53 VAL . 19787 1 36 54 TYR . 19787 1 37 55 VAL . 19787 1 38 56 HIS . 19787 1 39 57 TYR . 19787 1 40 58 LYS . 19787 1 41 59 GLY . 19787 1 42 60 LYS . 19787 1 43 61 LEU . 19787 1 44 62 SER . 19787 1 45 63 ASN . 19787 1 46 64 GLY . 19787 1 47 65 LYS . 19787 1 48 66 LYS . 19787 1 49 67 PHE . 19787 1 50 68 ASP . 19787 1 51 69 SER . 19787 1 52 70 SER . 19787 1 53 71 HIS . 19787 1 54 72 ASP . 19787 1 55 73 ARG . 19787 1 56 74 ASN . 19787 1 57 75 GLU . 19787 1 58 76 PRO . 19787 1 59 77 PHE . 19787 1 60 78 VAL . 19787 1 61 79 PHE . 19787 1 62 80 SER . 19787 1 63 81 LEU . 19787 1 64 82 GLY . 19787 1 65 83 LYS . 19787 1 66 84 GLY . 19787 1 67 85 GLN . 19787 1 68 86 VAL . 19787 1 69 87 ILE . 19787 1 70 88 LYS . 19787 1 71 89 ALA . 19787 1 72 90 TRP . 19787 1 73 91 ASP . 19787 1 74 92 ILE . 19787 1 75 93 GLY . 19787 1 76 94 VAL . 19787 1 77 95 ALA . 19787 1 78 96 THR . 19787 1 79 97 MET . 19787 1 80 98 LYS . 19787 1 81 99 LYS . 19787 1 82 100 GLY . 19787 1 83 101 GLU . 19787 1 84 102 ILE . 19787 1 85 103 CYS . 19787 1 86 104 HIS . 19787 1 87 105 LEU . 19787 1 88 106 LEU . 19787 1 89 107 CYS . 19787 1 90 108 LYS . 19787 1 91 109 PRO . 19787 1 92 110 GLU . 19787 1 93 111 TYR . 19787 1 94 112 ALA . 19787 1 95 113 TYR . 19787 1 96 114 GLY . 19787 1 97 115 SER . 19787 1 98 116 ALA . 19787 1 99 117 GLY . 19787 1 100 118 SER . 19787 1 101 119 LEU . 19787 1 102 120 PRO . 19787 1 103 121 LYS . 19787 1 104 122 ILE . 19787 1 105 123 PRO . 19787 1 106 124 SER . 19787 1 107 125 ASN . 19787 1 108 126 ALA . 19787 1 109 127 THR . 19787 1 110 128 LEU . 19787 1 111 129 PHE . 19787 1 112 130 PHE . 19787 1 113 131 GLU . 19787 1 114 132 ILE . 19787 1 115 133 GLU . 19787 1 116 134 LEU . 19787 1 117 135 LEU . 19787 1 118 136 ASP . 19787 1 119 137 PHE . 19787 1 120 138 LYS . 19787 1 121 139 GLY . 19787 1 122 140 GLU . 19787 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 19787 1 . GLU 2 2 19787 1 . GLN 3 3 19787 1 . GLY 4 4 19787 1 . GLU 5 5 19787 1 . ASP 6 6 19787 1 . ILE 7 7 19787 1 . THR 8 8 19787 1 . SER 9 9 19787 1 . LYS 10 10 19787 1 . LYS 11 11 19787 1 . ASP 12 12 19787 1 . ARG 13 13 19787 1 . GLY 14 14 19787 1 . VAL 15 15 19787 1 . LEU 16 16 19787 1 . LYS 17 17 19787 1 . ILE 18 18 19787 1 . VAL 19 19 19787 1 . LYS 20 20 19787 1 . ARG 21 21 19787 1 . VAL 22 22 19787 1 . GLY 23 23 19787 1 . ASN 24 24 19787 1 . GLY 25 25 19787 1 . GLU 26 26 19787 1 . GLU 27 27 19787 1 . THR 28 28 19787 1 . PRO 29 29 19787 1 . MET 30 30 19787 1 . ILE 31 31 19787 1 . GLY 32 32 19787 1 . ASP 33 33 19787 1 . LYS 34 34 19787 1 . VAL 35 35 19787 1 . TYR 36 36 19787 1 . VAL 37 37 19787 1 . HIS 38 38 19787 1 . TYR 39 39 19787 1 . LYS 40 40 19787 1 . GLY 41 41 19787 1 . LYS 42 42 19787 1 . LEU 43 43 19787 1 . SER 44 44 19787 1 . ASN 45 45 19787 1 . GLY 46 46 19787 1 . LYS 47 47 19787 1 . LYS 48 48 19787 1 . PHE 49 49 19787 1 . ASP 50 50 19787 1 . SER 51 51 19787 1 . SER 52 52 19787 1 . HIS 53 53 19787 1 . ASP 54 54 19787 1 . ARG 55 55 19787 1 . ASN 56 56 19787 1 . GLU 57 57 19787 1 . PRO 58 58 19787 1 . PHE 59 59 19787 1 . VAL 60 60 19787 1 . PHE 61 61 19787 1 . SER 62 62 19787 1 . LEU 63 63 19787 1 . GLY 64 64 19787 1 . LYS 65 65 19787 1 . GLY 66 66 19787 1 . GLN 67 67 19787 1 . VAL 68 68 19787 1 . ILE 69 69 19787 1 . LYS 70 70 19787 1 . ALA 71 71 19787 1 . TRP 72 72 19787 1 . ASP 73 73 19787 1 . ILE 74 74 19787 1 . GLY 75 75 19787 1 . VAL 76 76 19787 1 . ALA 77 77 19787 1 . THR 78 78 19787 1 . MET 79 79 19787 1 . LYS 80 80 19787 1 . LYS 81 81 19787 1 . GLY 82 82 19787 1 . GLU 83 83 19787 1 . ILE 84 84 19787 1 . CYS 85 85 19787 1 . HIS 86 86 19787 1 . LEU 87 87 19787 1 . LEU 88 88 19787 1 . CYS 89 89 19787 1 . LYS 90 90 19787 1 . PRO 91 91 19787 1 . GLU 92 92 19787 1 . TYR 93 93 19787 1 . ALA 94 94 19787 1 . TYR 95 95 19787 1 . GLY 96 96 19787 1 . SER 97 97 19787 1 . ALA 98 98 19787 1 . GLY 99 99 19787 1 . SER 100 100 19787 1 . LEU 101 101 19787 1 . PRO 102 102 19787 1 . LYS 103 103 19787 1 . ILE 104 104 19787 1 . PRO 105 105 19787 1 . SER 106 106 19787 1 . ASN 107 107 19787 1 . ALA 108 108 19787 1 . THR 109 109 19787 1 . LEU 110 110 19787 1 . PHE 111 111 19787 1 . PHE 112 112 19787 1 . GLU 113 113 19787 1 . ILE 114 114 19787 1 . GLU 115 115 19787 1 . LEU 116 116 19787 1 . LEU 117 117 19787 1 . ASP 118 118 19787 1 . PHE 119 119 19787 1 . LYS 120 120 19787 1 . GLY 121 121 19787 1 . GLU 122 122 19787 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 19787 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FKBP51 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19787 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 19787 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FKBP51 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET11a . . . . . . 19787 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19787 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 FKBP51 '[U-99% 13C; U-99% 15N]' . . 1 $FKBP51 . . 1.0 . . mM . . . . 19787 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19787 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19787 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19787 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19787 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19787 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19787 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 FKBP51 '[U-98% 15N]' . . 1 $FKBP51 . . 1.0 . . mM . . . . 19787 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19787 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19787 2 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19787 2 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19787 2 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19787 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19787 _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' 25 . mM 19787 1 pH 6.50 . pH 19787 1 pressure 1 . atm 19787 1 temperature 298.15 . K 19787 1 stop_ save_ save_sample_condition_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_2 _Sample_condition_list.Entry_ID 19787 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 19787 2 pH 6.50 . pH 19787 2 pressure 1 . atm 19787 2 temperature 298.15 . K 19787 2 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 19787 _Software.ID 1 _Software.Name Felix _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 19787 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19787 1 'peak picking' 19787 1 processing 19787 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 19787 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19787 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19787 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19787 _NMR_spectrometer.ID 4 _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 19787 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19787 1 2 spectrometer_2 Bruker Avance . 900 . . . 19787 1 3 spectrometer_3 Bruker Avance . 600 . . . 19787 1 4 spectrometer_4 Bruker Avance . 800 . . . 19787 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 19787 _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 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19787 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19787 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19787 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19787 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19787 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19787 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19787 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19787 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19787 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19787 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 19787 _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 . . . . . . . . . 19787 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19787 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19787 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 19787 _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 '3D CBCA(CO)NH' 1 $sample_1 . 19787 1 2 '3D HNCACB' 1 $sample_1 . 19787 1 3 '3D HCCH-TOCSY' 1 $sample_1 . 19787 1 4 '3D HNCO' 1 $sample_1 . 19787 1 5 '3D HCACO' 1 $sample_1 . 19787 1 7 '2D 1H-15N HSQC' 2 $sample_2 . 19787 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $Felix . . 19787 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.880 . . 1 . . . . 19 MET HA . 19787 1 2 . 1 1 1 1 MET CA C 13 55.304 . . 1 . . . . 19 MET CA . 19787 1 3 . 1 1 1 1 MET CB C 13 33.680 . . 1 . . . . 19 MET CB . 19787 1 4 . 1 1 2 2 GLU HA H 1 4.233 . . 1 . . . . 20 GLU HA . 19787 1 5 . 1 1 2 2 GLU C C 13 175.673 . . 1 . . . . 20 GLU C . 19787 1 6 . 1 1 2 2 GLU CA C 13 56.676 . . 1 . . . . 20 GLU CA . 19787 1 7 . 1 1 2 2 GLU CB C 13 30.205 . . 1 . . . . 20 GLU CB . 19787 1 8 . 1 1 3 3 GLN H H 1 8.408 . . 1 . . . . 21 GLN H . 19787 1 9 . 1 1 3 3 GLN HA H 1 4.328 . . 1 . . . . 21 GLN HA . 19787 1 10 . 1 1 3 3 GLN C C 13 174.987 . . 1 . . . . 21 GLN C . 19787 1 11 . 1 1 3 3 GLN CA C 13 55.744 . . 1 . . . . 21 GLN CA . 19787 1 12 . 1 1 3 3 GLN CB C 13 30.175 . . 1 . . . . 21 GLN CB . 19787 1 13 . 1 1 3 3 GLN N N 15 120.647 . . 1 . . . . 21 GLN N . 19787 1 14 . 1 1 4 4 GLY H H 1 8.186 . . 1 . . . . 22 GLY H . 19787 1 15 . 1 1 4 4 GLY HA2 H 1 3.784 . . 1 . . . . 22 GLY HA2 . 19787 1 16 . 1 1 4 4 GLY HA3 H 1 3.784 . . 1 . . . . 22 GLY HA3 . 19787 1 17 . 1 1 4 4 GLY C C 13 172.326 . . 1 . . . . 22 GLY C . 19787 1 18 . 1 1 4 4 GLY CA C 13 44.618 . . 1 . . . . 22 GLY CA . 19787 1 19 . 1 1 4 4 GLY N N 15 107.248 . . 1 . . . . 22 GLY N . 19787 1 20 . 1 1 5 5 GLU H H 1 8.639 . . 1 . . . . 23 GLU H . 19787 1 21 . 1 1 5 5 GLU HA H 1 4.348 . . 1 . . . . 23 GLU HA . 19787 1 22 . 1 1 5 5 GLU C C 13 176.055 . . 1 . . . . 23 GLU C . 19787 1 23 . 1 1 5 5 GLU CA C 13 54.917 . . 1 . . . . 23 GLU CA . 19787 1 24 . 1 1 5 5 GLU CB C 13 31.377 . . 1 . . . . 23 GLU CB . 19787 1 25 . 1 1 5 5 GLU N N 15 121.388 . . 1 . . . . 23 GLU N . 19787 1 26 . 1 1 6 6 ASP H H 1 8.811 . . 1 . . . . 24 ASP H . 19787 1 27 . 1 1 6 6 ASP HA H 1 4.875 . . 1 . . . . 24 ASP HA . 19787 1 28 . 1 1 6 6 ASP C C 13 177.460 . . 1 . . . . 24 ASP C . 19787 1 29 . 1 1 6 6 ASP CA C 13 53.588 . . 1 . . . . 24 ASP CA . 19787 1 30 . 1 1 6 6 ASP CB C 13 39.671 . . 1 . . . . 24 ASP CB . 19787 1 31 . 1 1 6 6 ASP N N 15 125.041 . . 1 . . . . 24 ASP N . 19787 1 32 . 1 1 7 7 ILE H H 1 7.666 . . 1 . . . . 25 ILE H . 19787 1 33 . 1 1 7 7 ILE HA H 1 4.523 . . 1 . . . . 25 ILE HA . 19787 1 34 . 1 1 7 7 ILE C C 13 176.043 . . 1 . . . . 25 ILE C . 19787 1 35 . 1 1 7 7 ILE CA C 13 60.886 . . 1 . . . . 25 ILE CA . 19787 1 36 . 1 1 7 7 ILE CB C 13 37.464 . . 1 . . . . 25 ILE CB . 19787 1 37 . 1 1 7 7 ILE N N 15 120.078 . . 1 . . . . 25 ILE N . 19787 1 38 . 1 1 8 8 THR H H 1 8.471 . . 1 . . . . 26 THR H . 19787 1 39 . 1 1 8 8 THR HA H 1 4.064 . . 1 . . . . 26 THR HA . 19787 1 40 . 1 1 8 8 THR C C 13 175.678 . . 1 . . . . 26 THR C . 19787 1 41 . 1 1 8 8 THR CA C 13 62.476 . . 1 . . . . 26 THR CA . 19787 1 42 . 1 1 8 8 THR CB C 13 70.453 . . 1 . . . . 26 THR CB . 19787 1 43 . 1 1 8 8 THR N N 15 114.201 . . 1 . . . . 26 THR N . 19787 1 44 . 1 1 9 9 SER H H 1 8.743 . . 1 . . . . 27 SER H . 19787 1 45 . 1 1 9 9 SER HA H 1 4.238 . . 1 . . . . 27 SER HA . 19787 1 46 . 1 1 9 9 SER C C 13 177.502 . . 1 . . . . 27 SER C . 19787 1 47 . 1 1 9 9 SER CA C 13 60.532 . . 1 . . . . 27 SER CA . 19787 1 48 . 1 1 9 9 SER CB C 13 62.658 . . 1 . . . . 27 SER CB . 19787 1 49 . 1 1 9 9 SER N N 15 118.292 . . 1 . . . . 27 SER N . 19787 1 50 . 1 1 10 10 LYS H H 1 8.037 . . 1 . . . . 28 LYS H . 19787 1 51 . 1 1 10 10 LYS HA H 1 4.008 . . 1 . . . . 28 LYS HA . 19787 1 52 . 1 1 10 10 LYS C C 13 175.676 . . 1 . . . . 28 LYS C . 19787 1 53 . 1 1 10 10 LYS CA C 13 56.782 . . 1 . . . . 28 LYS CA . 19787 1 54 . 1 1 10 10 LYS CB C 13 32.619 . . 1 . . . . 28 LYS CB . 19787 1 55 . 1 1 10 10 LYS N N 15 119.185 . . 1 . . . . 28 LYS N . 19787 1 56 . 1 1 11 11 LYS H H 1 7.693 . . 1 . . . . 29 LYS H . 19787 1 57 . 1 1 11 11 LYS HA H 1 4.039 . . 1 . . . . 29 LYS HA . 19787 1 58 . 1 1 11 11 LYS C C 13 176.295 . . 1 . . . . 29 LYS C . 19787 1 59 . 1 1 11 11 LYS CA C 13 55.037 . . 1 . . . . 29 LYS CA . 19787 1 60 . 1 1 11 11 LYS CB C 13 28.296 . . 1 . . . . 29 LYS CB . 19787 1 61 . 1 1 11 11 LYS N N 15 116.844 . . 1 . . . . 29 LYS N . 19787 1 62 . 1 1 12 12 ASP H H 1 7.663 . . 1 . . . . 30 ASP H . 19787 1 63 . 1 1 12 12 ASP HA H 1 4.508 . . 1 . . . . 30 ASP HA . 19787 1 64 . 1 1 12 12 ASP C C 13 177.246 . . 1 . . . . 30 ASP C . 19787 1 65 . 1 1 12 12 ASP CA C 13 51.997 . . 1 . . . . 30 ASP CA . 19787 1 66 . 1 1 12 12 ASP CB C 13 41.188 . . 1 . . . . 30 ASP CB . 19787 1 67 . 1 1 12 12 ASP N N 15 117.397 . . 1 . . . . 30 ASP N . 19787 1 68 . 1 1 13 13 ARG H H 1 9.439 . . 1 . . . . 31 ARG H . 19787 1 69 . 1 1 13 13 ARG HA H 1 3.116 . . 1 . . . . 31 ARG HA . 19787 1 70 . 1 1 13 13 ARG C C 13 176.659 . . 1 . . . . 31 ARG C . 19787 1 71 . 1 1 13 13 ARG CA C 13 57.416 . . 1 . . . . 31 ARG CA . 19787 1 72 . 1 1 13 13 ARG CB C 13 28.055 . . 1 . . . . 31 ARG CB . 19787 1 73 . 1 1 13 13 ARG N N 15 115.267 . . 1 . . . . 31 ARG N . 19787 1 74 . 1 1 14 14 GLY H H 1 8.784 . . 1 . . . . 32 GLY H . 19787 1 75 . 1 1 14 14 GLY HA2 H 1 3.623 . . 1 . . . . 32 GLY HA2 . 19787 1 76 . 1 1 14 14 GLY HA3 H 1 3.623 . . 1 . . . . 32 GLY HA3 . 19787 1 77 . 1 1 14 14 GLY C C 13 172.297 . . 1 . . . . 32 GLY C . 19787 1 78 . 1 1 14 14 GLY CA C 13 46.894 . . 1 . . . . 32 GLY CA . 19787 1 79 . 1 1 14 14 GLY N N 15 105.069 . . 1 . . . . 32 GLY N . 19787 1 80 . 1 1 15 15 VAL H H 1 6.157 . . 1 . . . . 33 VAL H . 19787 1 81 . 1 1 15 15 VAL HA H 1 4.537 . . 1 . . . . 33 VAL HA . 19787 1 82 . 1 1 15 15 VAL C C 13 173.557 . . 1 . . . . 33 VAL C . 19787 1 83 . 1 1 15 15 VAL CA C 13 61.882 . . 1 . . . . 33 VAL CA . 19787 1 84 . 1 1 15 15 VAL CB C 13 34.635 . . 1 . . . . 33 VAL CB . 19787 1 85 . 1 1 15 15 VAL N N 15 115.645 . . 1 . . . . 33 VAL N . 19787 1 86 . 1 1 16 16 LEU H H 1 8.422 . . 1 . . . . 34 LEU H . 19787 1 87 . 1 1 16 16 LEU HA H 1 5.180 . . 1 . . . . 34 LEU HA . 19787 1 88 . 1 1 16 16 LEU C C 13 176.466 . . 1 . . . . 34 LEU C . 19787 1 89 . 1 1 16 16 LEU CA C 13 51.990 . . 1 . . . . 34 LEU CA . 19787 1 90 . 1 1 16 16 LEU CB C 13 44.494 . . 1 . . . . 34 LEU CB . 19787 1 91 . 1 1 16 16 LEU N N 15 124.693 . . 1 . . . . 34 LEU N . 19787 1 92 . 1 1 17 17 LYS H H 1 9.378 . . 1 . . . . 35 LYS H . 19787 1 93 . 1 1 17 17 LYS HA H 1 5.484 . . 1 . . . . 35 LYS HA . 19787 1 94 . 1 1 17 17 LYS C C 13 176.014 . . 1 . . . . 35 LYS C . 19787 1 95 . 1 1 17 17 LYS CA C 13 54.903 . . 1 . . . . 35 LYS CA . 19787 1 96 . 1 1 17 17 LYS CB C 13 38.067 . . 1 . . . . 35 LYS CB . 19787 1 97 . 1 1 17 17 LYS N N 15 123.784 . . 1 . . . . 35 LYS N . 19787 1 98 . 1 1 18 18 ILE H H 1 9.005 . . 1 . . . . 36 ILE H . 19787 1 99 . 1 1 18 18 ILE HA H 1 4.367 . . 1 . . . . 36 ILE HA . 19787 1 100 . 1 1 18 18 ILE C C 13 175.664 . . 1 . . . . 36 ILE C . 19787 1 101 . 1 1 18 18 ILE CA C 13 60.302 . . 1 . . . . 36 ILE CA . 19787 1 102 . 1 1 18 18 ILE CB C 13 42.597 . . 1 . . . . 36 ILE CB . 19787 1 103 . 1 1 18 18 ILE N N 15 127.977 . . 1 . . . . 36 ILE N . 19787 1 104 . 1 1 19 19 VAL H H 1 9.140 . . 1 . . . . 37 VAL H . 19787 1 105 . 1 1 19 19 VAL HA H 1 3.683 . . 1 . . . . 37 VAL HA . 19787 1 106 . 1 1 19 19 VAL C C 13 174.974 . . 1 . . . . 37 VAL C . 19787 1 107 . 1 1 19 19 VAL CA C 13 64.766 . . 1 . . . . 37 VAL CA . 19787 1 108 . 1 1 19 19 VAL CB C 13 31.622 . . 1 . . . . 37 VAL CB . 19787 1 109 . 1 1 19 19 VAL N N 15 128.878 . . 1 . . . . 37 VAL N . 19787 1 110 . 1 1 20 20 LYS H H 1 8.669 . . 1 . . . . 38 LYS H . 19787 1 111 . 1 1 20 20 LYS HA H 1 4.284 . . 1 . . . . 38 LYS HA . 19787 1 112 . 1 1 20 20 LYS C C 13 176.012 . . 1 . . . . 38 LYS C . 19787 1 113 . 1 1 20 20 LYS CA C 13 54.886 . . 1 . . . . 38 LYS CA . 19787 1 114 . 1 1 20 20 LYS CB C 13 32.333 . . 1 . . . . 38 LYS CB . 19787 1 115 . 1 1 20 20 LYS N N 15 128.410 . . 1 . . . . 38 LYS N . 19787 1 116 . 1 1 21 21 ARG H H 1 8.088 . . 1 . . . . 39 ARG H . 19787 1 117 . 1 1 21 21 ARG HA H 1 4.475 . . 1 . . . . 39 ARG HA . 19787 1 118 . 1 1 21 21 ARG C C 13 174.292 . . 1 . . . . 39 ARG C . 19787 1 119 . 1 1 21 21 ARG CA C 13 55.629 . . 1 . . . . 39 ARG CA . 19787 1 120 . 1 1 21 21 ARG CB C 13 34.172 . . 1 . . . . 39 ARG CB . 19787 1 121 . 1 1 21 21 ARG N N 15 121.679 . . 1 . . . . 39 ARG N . 19787 1 122 . 1 1 22 22 VAL H H 1 8.439 . . 1 . . . . 40 VAL H . 19787 1 123 . 1 1 22 22 VAL HA H 1 3.930 . . 1 . . . . 40 VAL HA . 19787 1 124 . 1 1 22 22 VAL C C 13 177.078 . . 1 . . . . 40 VAL C . 19787 1 125 . 1 1 22 22 VAL CA C 13 62.875 . . 1 . . . . 40 VAL CA . 19787 1 126 . 1 1 22 22 VAL CB C 13 32.131 . . 1 . . . . 40 VAL CB . 19787 1 127 . 1 1 22 22 VAL N N 15 126.367 . . 1 . . . . 40 VAL N . 19787 1 128 . 1 1 23 23 GLY H H 1 9.646 . . 1 . . . . 41 GLY H . 19787 1 129 . 1 1 23 23 GLY HA2 H 1 4.062 . . 1 . . . . 41 GLY HA2 . 19787 1 130 . 1 1 23 23 GLY HA3 H 1 3.299 . . 1 . . . . 41 GLY HA3 . 19787 1 131 . 1 1 23 23 GLY C C 13 172.713 . . 1 . . . . 41 GLY C . 19787 1 132 . 1 1 23 23 GLY CA C 13 43.950 . . 1 . . . . 41 GLY CA . 19787 1 133 . 1 1 23 23 GLY N N 15 112.734 . . 1 . . . . 41 GLY N . 19787 1 134 . 1 1 24 24 ASN H H 1 8.744 . . 1 . . . . 42 ASN H . 19787 1 135 . 1 1 24 24 ASN HA H 1 4.814 . . 1 . . . . 42 ASN HA . 19787 1 136 . 1 1 24 24 ASN C C 13 175.105 . . 1 . . . . 42 ASN C . 19787 1 137 . 1 1 24 24 ASN CA C 13 53.041 . . 1 . . . . 42 ASN CA . 19787 1 138 . 1 1 24 24 ASN CB C 13 40.860 . . 1 . . . . 42 ASN CB . 19787 1 139 . 1 1 24 24 ASN N N 15 117.167 . . 1 . . . . 42 ASN N . 19787 1 140 . 1 1 25 25 GLY H H 1 8.307 . . 1 . . . . 43 GLY H . 19787 1 141 . 1 1 25 25 GLY HA2 H 1 4.177 . . 1 . . . . 43 GLY HA2 . 19787 1 142 . 1 1 25 25 GLY HA3 H 1 3.900 . . 1 . . . . 43 GLY HA3 . 19787 1 143 . 1 1 25 25 GLY C C 13 173.216 . . 1 . . . . 43 GLY C . 19787 1 144 . 1 1 25 25 GLY CA C 13 44.924 . . 1 . . . . 43 GLY CA . 19787 1 145 . 1 1 25 25 GLY N N 15 108.888 . . 1 . . . . 43 GLY N . 19787 1 146 . 1 1 26 26 GLU H H 1 8.314 . . 1 . . . . 44 GLU H . 19787 1 147 . 1 1 26 26 GLU HA H 1 4.325 . . 1 . . . . 44 GLU HA . 19787 1 148 . 1 1 26 26 GLU C C 13 176.888 . . 1 . . . . 44 GLU C . 19787 1 149 . 1 1 26 26 GLU CA C 13 56.400 . . 1 . . . . 44 GLU CA . 19787 1 150 . 1 1 26 26 GLU CB C 13 31.720 . . 1 . . . . 44 GLU CB . 19787 1 151 . 1 1 26 26 GLU N N 15 116.634 . . 1 . . . . 44 GLU N . 19787 1 152 . 1 1 27 27 GLU H H 1 8.160 . . 1 . . . . 45 GLU H . 19787 1 153 . 1 1 27 27 GLU HA H 1 4.411 . . 1 . . . . 45 GLU HA . 19787 1 154 . 1 1 27 27 GLU C C 13 175.257 . . 1 . . . . 45 GLU C . 19787 1 155 . 1 1 27 27 GLU CA C 13 57.184 . . 1 . . . . 45 GLU CA . 19787 1 156 . 1 1 27 27 GLU CB C 13 31.029 . . 1 . . . . 45 GLU CB . 19787 1 157 . 1 1 27 27 GLU N N 15 118.971 . . 1 . . . . 45 GLU N . 19787 1 158 . 1 1 28 28 THR H H 1 7.771 . . 1 . . . . 46 THR H . 19787 1 159 . 1 1 28 28 THR HA H 1 4.799 . . 1 . . . . 46 THR HA . 19787 1 160 . 1 1 28 28 THR C C 13 171.938 . . 1 . . . . 46 THR C . 19787 1 161 . 1 1 28 28 THR CA C 13 58.220 . . 1 . . . . 46 THR CA . 19787 1 162 . 1 1 28 28 THR CB C 13 69.109 . . 1 . . . . 46 THR CB . 19787 1 163 . 1 1 28 28 THR N N 15 112.448 . . 1 . . . . 46 THR N . 19787 1 164 . 1 1 29 29 PRO HA H 1 3.480 . . 1 . . . . 47 PRO HA . 19787 1 165 . 1 1 29 29 PRO C C 13 175.056 . . 1 . . . . 47 PRO C . 19787 1 166 . 1 1 29 29 PRO CA C 13 62.115 . . 1 . . . . 47 PRO CA . 19787 1 167 . 1 1 29 29 PRO CB C 13 31.444 . . 1 . . . . 47 PRO CB . 19787 1 168 . 1 1 30 30 MET H H 1 8.671 . . 1 . . . . 48 MET H . 19787 1 169 . 1 1 30 30 MET HA H 1 4.428 . . 1 . . . . 48 MET HA . 19787 1 170 . 1 1 30 30 MET C C 13 176.112 . . 1 . . . . 48 MET C . 19787 1 171 . 1 1 30 30 MET CA C 13 52.825 . . 1 . . . . 48 MET CA . 19787 1 172 . 1 1 30 30 MET CB C 13 34.809 . . 1 . . . . 48 MET CB . 19787 1 173 . 1 1 30 30 MET N N 15 121.060 . . 1 . . . . 48 MET N . 19787 1 174 . 1 1 31 31 ILE H H 1 8.040 . . 1 . . . . 49 ILE H . 19787 1 175 . 1 1 31 31 ILE HA H 1 3.323 . . 1 . . . . 49 ILE HA . 19787 1 176 . 1 1 31 31 ILE C C 13 177.299 . . 1 . . . . 49 ILE C . 19787 1 177 . 1 1 31 31 ILE CA C 13 63.403 . . 1 . . . . 49 ILE CA . 19787 1 178 . 1 1 31 31 ILE CB C 13 36.794 . . 1 . . . . 49 ILE CB . 19787 1 179 . 1 1 31 31 ILE N N 15 120.249 . . 1 . . . . 49 ILE N . 19787 1 180 . 1 1 32 32 GLY H H 1 9.218 . . 1 . . . . 50 GLY H . 19787 1 181 . 1 1 32 32 GLY HA2 H 1 4.410 . . 1 . . . . 50 GLY HA2 . 19787 1 182 . 1 1 32 32 GLY HA3 H 1 3.227 . . 1 . . . . 50 GLY HA3 . 19787 1 183 . 1 1 32 32 GLY C C 13 174.265 . . 1 . . . . 50 GLY C . 19787 1 184 . 1 1 32 32 GLY CA C 13 44.713 . . 1 . . . . 50 GLY CA . 19787 1 185 . 1 1 32 32 GLY N N 15 116.578 . . 1 . . . . 50 GLY N . 19787 1 186 . 1 1 33 33 ASP H H 1 8.374 . . 1 . . . . 51 ASP H . 19787 1 187 . 1 1 33 33 ASP HA H 1 4.489 . . 1 . . . . 51 ASP HA . 19787 1 188 . 1 1 33 33 ASP C C 13 175.694 . . 1 . . . . 51 ASP C . 19787 1 189 . 1 1 33 33 ASP CA C 13 55.409 . . 1 . . . . 51 ASP CA . 19787 1 190 . 1 1 33 33 ASP CB C 13 40.313 . . 1 . . . . 51 ASP CB . 19787 1 191 . 1 1 33 33 ASP N N 15 123.101 . . 1 . . . . 51 ASP N . 19787 1 192 . 1 1 34 34 LYS H H 1 8.556 . . 1 . . . . 52 LYS H . 19787 1 193 . 1 1 34 34 LYS HA H 1 4.310 . . 1 . . . . 52 LYS HA . 19787 1 194 . 1 1 34 34 LYS C C 13 175.473 . . 1 . . . . 52 LYS C . 19787 1 195 . 1 1 34 34 LYS CA C 13 55.530 . . 1 . . . . 52 LYS CA . 19787 1 196 . 1 1 34 34 LYS CB C 13 32.590 . . 1 . . . . 52 LYS CB . 19787 1 197 . 1 1 34 34 LYS N N 15 121.310 . . 1 . . . . 52 LYS N . 19787 1 198 . 1 1 35 35 VAL H H 1 8.622 . . 1 . . . . 53 VAL H . 19787 1 199 . 1 1 35 35 VAL HA H 1 4.627 . . 1 . . . . 53 VAL HA . 19787 1 200 . 1 1 35 35 VAL C C 13 172.259 . . 1 . . . . 53 VAL C . 19787 1 201 . 1 1 35 35 VAL CA C 13 59.381 . . 1 . . . . 53 VAL CA . 19787 1 202 . 1 1 35 35 VAL CB C 13 32.940 . . 1 . . . . 53 VAL CB . 19787 1 203 . 1 1 35 35 VAL N N 15 119.803 . . 1 . . . . 53 VAL N . 19787 1 204 . 1 1 36 36 TYR H H 1 7.993 . . 1 . . . . 54 TYR H . 19787 1 205 . 1 1 36 36 TYR HA H 1 4.928 . . 1 . . . . 54 TYR HA . 19787 1 206 . 1 1 36 36 TYR C C 13 175.758 . . 1 . . . . 54 TYR C . 19787 1 207 . 1 1 36 36 TYR CA C 13 55.635 . . 1 . . . . 54 TYR CA . 19787 1 208 . 1 1 36 36 TYR CB C 13 39.824 . . 1 . . . . 54 TYR CB . 19787 1 209 . 1 1 36 36 TYR N N 15 120.645 . . 1 . . . . 54 TYR N . 19787 1 210 . 1 1 37 37 VAL H H 1 9.481 . . 1 . . . . 55 VAL H . 19787 1 211 . 1 1 37 37 VAL HA H 1 5.706 . . 1 . . . . 55 VAL HA . 19787 1 212 . 1 1 37 37 VAL C C 13 175.624 . . 1 . . . . 55 VAL C . 19787 1 213 . 1 1 37 37 VAL CA C 13 58.147 . . 1 . . . . 55 VAL CA . 19787 1 214 . 1 1 37 37 VAL CB C 13 35.235 . . 1 . . . . 55 VAL CB . 19787 1 215 . 1 1 37 37 VAL N N 15 114.829 . . 1 . . . . 55 VAL N . 19787 1 216 . 1 1 38 38 HIS H H 1 8.629 . . 1 . . . . 56 HIS H . 19787 1 217 . 1 1 38 38 HIS HA H 1 5.502 . . 1 . . . . 56 HIS HA . 19787 1 218 . 1 1 38 38 HIS C C 13 175.728 . . 1 . . . . 56 HIS C . 19787 1 219 . 1 1 38 38 HIS CA C 13 54.626 . . 1 . . . . 56 HIS CA . 19787 1 220 . 1 1 38 38 HIS CB C 13 35.160 . . 1 . . . . 56 HIS CB . 19787 1 221 . 1 1 38 38 HIS N N 15 119.257 . . 1 . . . . 56 HIS N . 19787 1 222 . 1 1 39 39 TYR H H 1 9.575 . . 1 . . . . 57 TYR H . 19787 1 223 . 1 1 39 39 TYR HA H 1 6.083 . . 1 . . . . 57 TYR HA . 19787 1 224 . 1 1 39 39 TYR C C 13 173.579 . . 1 . . . . 57 TYR C . 19787 1 225 . 1 1 39 39 TYR CA C 13 55.965 . . 1 . . . . 57 TYR CA . 19787 1 226 . 1 1 39 39 TYR CB C 13 44.005 . . 1 . . . . 57 TYR CB . 19787 1 227 . 1 1 39 39 TYR N N 15 116.956 . . 1 . . . . 57 TYR N . 19787 1 228 . 1 1 40 40 LYS H H 1 8.868 . . 1 . . . . 58 LYS H . 19787 1 229 . 1 1 40 40 LYS HA H 1 4.675 . . 1 . . . . 58 LYS HA . 19787 1 230 . 1 1 40 40 LYS C C 13 174.989 . . 1 . . . . 58 LYS C . 19787 1 231 . 1 1 40 40 LYS CA C 13 56.144 . . 1 . . . . 58 LYS CA . 19787 1 232 . 1 1 40 40 LYS CB C 13 36.553 . . 1 . . . . 58 LYS CB . 19787 1 233 . 1 1 40 40 LYS N N 15 118.999 . . 1 . . . . 58 LYS N . 19787 1 234 . 1 1 41 41 GLY H H 1 8.897 . . 1 . . . . 59 GLY H . 19787 1 235 . 1 1 41 41 GLY HA2 H 1 3.614 . . 1 . . . . 59 GLY HA2 . 19787 1 236 . 1 1 41 41 GLY HA3 H 1 3.614 . . 1 . . . . 59 GLY HA3 . 19787 1 237 . 1 1 41 41 GLY C C 13 172.111 . . 1 . . . . 59 GLY C . 19787 1 238 . 1 1 41 41 GLY CA C 13 45.311 . . 1 . . . . 59 GLY CA . 19787 1 239 . 1 1 41 41 GLY N N 15 111.802 . . 1 . . . . 59 GLY N . 19787 1 240 . 1 1 42 42 LYS H H 1 9.349 . . 1 . . . . 60 LYS H . 19787 1 241 . 1 1 42 42 LYS HA H 1 5.256 . . 1 . . . . 60 LYS HA . 19787 1 242 . 1 1 42 42 LYS C C 13 175.975 . . 1 . . . . 60 LYS C . 19787 1 243 . 1 1 42 42 LYS CA C 13 54.838 . . 1 . . . . 60 LYS CA . 19787 1 244 . 1 1 42 42 LYS CB C 13 37.360 . . 1 . . . . 60 LYS CB . 19787 1 245 . 1 1 42 42 LYS N N 15 124.561 . . 1 . . . . 60 LYS N . 19787 1 246 . 1 1 43 43 LEU H H 1 8.590 . . 1 . . . . 61 LEU H . 19787 1 247 . 1 1 43 43 LEU HA H 1 4.658 . . 1 . . . . 61 LEU HA . 19787 1 248 . 1 1 43 43 LEU C C 13 179.883 . . 1 . . . . 61 LEU C . 19787 1 249 . 1 1 43 43 LEU CA C 13 53.747 . . 1 . . . . 61 LEU CA . 19787 1 250 . 1 1 43 43 LEU CB C 13 42.235 . . 1 . . . . 61 LEU CB . 19787 1 251 . 1 1 43 43 LEU N N 15 119.829 . . 1 . . . . 61 LEU N . 19787 1 252 . 1 1 44 44 SER H H 1 9.366 . . 1 . . . . 62 SER H . 19787 1 253 . 1 1 44 44 SER HA H 1 3.929 . . 1 . . . . 62 SER HA . 19787 1 254 . 1 1 44 44 SER C C 13 174.696 . . 1 . . . . 62 SER C . 19787 1 255 . 1 1 44 44 SER CA C 13 61.433 . . 1 . . . . 62 SER CA . 19787 1 256 . 1 1 44 44 SER CB C 13 62.387 . . 1 . . . . 62 SER CB . 19787 1 257 . 1 1 44 44 SER N N 15 117.483 . . 1 . . . . 62 SER N . 19787 1 258 . 1 1 45 45 ASN H H 1 7.419 . . 1 . . . . 63 ASN H . 19787 1 259 . 1 1 45 45 ASN HA H 1 4.512 . . 1 . . . . 63 ASN HA . 19787 1 260 . 1 1 45 45 ASN C C 13 176.269 . . 1 . . . . 63 ASN C . 19787 1 261 . 1 1 45 45 ASN CA C 13 52.439 . . 1 . . . . 63 ASN CA . 19787 1 262 . 1 1 45 45 ASN CB C 13 37.218 . . 1 . . . . 63 ASN CB . 19787 1 263 . 1 1 45 45 ASN N N 15 117.258 . . 1 . . . . 63 ASN N . 19787 1 264 . 1 1 46 46 GLY H H 1 8.120 . . 1 . . . . 64 GLY H . 19787 1 265 . 1 1 46 46 GLY HA2 H 1 3.443 . . 1 . . . . 64 GLY HA2 . 19787 1 266 . 1 1 46 46 GLY HA3 H 1 4.177 . . 1 . . . . 64 GLY HA3 . 19787 1 267 . 1 1 46 46 GLY C C 13 173.868 . . 1 . . . . 64 GLY C . 19787 1 268 . 1 1 46 46 GLY CA C 13 44.905 . . 1 . . . . 64 GLY CA . 19787 1 269 . 1 1 46 46 GLY N N 15 107.879 . . 1 . . . . 64 GLY N . 19787 1 270 . 1 1 47 47 LYS H H 1 7.705 . . 1 . . . . 65 LYS H . 19787 1 271 . 1 1 47 47 LYS HA H 1 4.137 . . 1 . . . . 65 LYS HA . 19787 1 272 . 1 1 47 47 LYS C C 13 176.243 . . 1 . . . . 65 LYS C . 19787 1 273 . 1 1 47 47 LYS CA C 13 56.451 . . 1 . . . . 65 LYS CA . 19787 1 274 . 1 1 47 47 LYS CB C 13 32.847 . . 1 . . . . 65 LYS CB . 19787 1 275 . 1 1 47 47 LYS N N 15 121.044 . . 1 . . . . 65 LYS N . 19787 1 276 . 1 1 48 48 LYS H H 1 8.684 . . 1 . . . . 66 LYS H . 19787 1 277 . 1 1 48 48 LYS HA H 1 4.570 . . 1 . . . . 66 LYS HA . 19787 1 278 . 1 1 48 48 LYS C C 13 176.607 . . 1 . . . . 66 LYS C . 19787 1 279 . 1 1 48 48 LYS CA C 13 56.602 . . 1 . . . . 66 LYS CA . 19787 1 280 . 1 1 48 48 LYS CB C 13 32.547 . . 1 . . . . 66 LYS CB . 19787 1 281 . 1 1 48 48 LYS N N 15 126.732 . . 1 . . . . 66 LYS N . 19787 1 282 . 1 1 49 49 PHE H H 1 8.382 . . 1 . . . . 67 PHE H . 19787 1 283 . 1 1 49 49 PHE HA H 1 5.086 . . 1 . . . . 67 PHE HA . 19787 1 284 . 1 1 49 49 PHE C C 13 174.112 . . 1 . . . . 67 PHE C . 19787 1 285 . 1 1 49 49 PHE CA C 13 56.398 . . 1 . . . . 67 PHE CA . 19787 1 286 . 1 1 49 49 PHE CB C 13 41.072 . . 1 . . . . 67 PHE CB . 19787 1 287 . 1 1 49 49 PHE N N 15 121.786 . . 1 . . . . 67 PHE N . 19787 1 288 . 1 1 50 50 ASP H H 1 6.841 . . 1 . . . . 68 ASP H . 19787 1 289 . 1 1 50 50 ASP HA H 1 4.822 . . 1 . . . . 68 ASP HA . 19787 1 290 . 1 1 50 50 ASP C C 13 174.466 . . 1 . . . . 68 ASP C . 19787 1 291 . 1 1 50 50 ASP CA C 13 54.524 . . 1 . . . . 68 ASP CA . 19787 1 292 . 1 1 50 50 ASP CB C 13 44.418 . . 1 . . . . 68 ASP CB . 19787 1 293 . 1 1 50 50 ASP N N 15 118.637 . . 1 . . . . 68 ASP N . 19787 1 294 . 1 1 51 51 SER H H 1 8.222 . . 1 . . . . 69 SER H . 19787 1 295 . 1 1 51 51 SER HA H 1 4.613 . . 1 . . . . 69 SER HA . 19787 1 296 . 1 1 51 51 SER C C 13 174.563 . . 1 . . . . 69 SER C . 19787 1 297 . 1 1 51 51 SER CA C 13 56.151 . . 1 . . . . 69 SER CA . 19787 1 298 . 1 1 51 51 SER CB C 13 65.188 . . 1 . . . . 69 SER CB . 19787 1 299 . 1 1 51 51 SER N N 15 117.004 . . 1 . . . . 69 SER N . 19787 1 300 . 1 1 52 52 SER H H 1 8.033 . . 1 . . . . 70 SER H . 19787 1 301 . 1 1 52 52 SER HA H 1 4.168 . . 1 . . . . 70 SER HA . 19787 1 302 . 1 1 52 52 SER C C 13 177.213 . . 1 . . . . 70 SER C . 19787 1 303 . 1 1 52 52 SER CA C 13 60.808 . . 1 . . . . 70 SER CA . 19787 1 304 . 1 1 52 52 SER CB C 13 60.810 . . 1 . . . . 70 SER CB . 19787 1 305 . 1 1 52 52 SER N N 15 122.580 . . 1 . . . . 70 SER N . 19787 1 306 . 1 1 53 53 HIS H H 1 7.733 . . 1 . . . . 71 HIS H . 19787 1 307 . 1 1 53 53 HIS HA H 1 4.047 . . 1 . . . . 71 HIS HA . 19787 1 308 . 1 1 53 53 HIS C C 13 177.442 . . 1 . . . . 71 HIS C . 19787 1 309 . 1 1 53 53 HIS CA C 13 58.121 . . 1 . . . . 71 HIS CA . 19787 1 310 . 1 1 53 53 HIS CB C 13 29.084 . . 1 . . . . 71 HIS CB . 19787 1 311 . 1 1 53 53 HIS N N 15 121.704 . . 1 . . . . 71 HIS N . 19787 1 312 . 1 1 54 54 ASP H H 1 7.452 . . 1 . . . . 72 ASP H . 19787 1 313 . 1 1 54 54 ASP HA H 1 4.366 . . 1 . . . . 72 ASP HA . 19787 1 314 . 1 1 54 54 ASP C C 13 176.665 . . 1 . . . . 72 ASP C . 19787 1 315 . 1 1 54 54 ASP CA C 13 56.217 . . 1 . . . . 72 ASP CA . 19787 1 316 . 1 1 54 54 ASP CB C 13 40.108 . . 1 . . . . 72 ASP CB . 19787 1 317 . 1 1 54 54 ASP N N 15 118.705 . . 1 . . . . 72 ASP N . 19787 1 318 . 1 1 55 55 ARG H H 1 7.331 . . 1 . . . . 73 ARG H . 19787 1 319 . 1 1 55 55 ARG HA H 1 4.393 . . 1 . . . . 73 ARG HA . 19787 1 320 . 1 1 55 55 ARG C C 13 175.564 . . 1 . . . . 73 ARG C . 19787 1 321 . 1 1 55 55 ARG CA C 13 55.901 . . 1 . . . . 73 ARG CA . 19787 1 322 . 1 1 55 55 ARG CB C 13 30.938 . . 1 . . . . 73 ARG CB . 19787 1 323 . 1 1 55 55 ARG N N 15 116.452 . . 1 . . . . 73 ARG N . 19787 1 324 . 1 1 56 56 ASN H H 1 7.897 . . 1 . . . . 74 ASN H . 19787 1 325 . 1 1 56 56 ASN HA H 1 4.416 . . 1 . . . . 74 ASN HA . 19787 1 326 . 1 1 56 56 ASN C C 13 173.905 . . 1 . . . . 74 ASN C . 19787 1 327 . 1 1 56 56 ASN CA C 13 54.173 . . 1 . . . . 74 ASN CA . 19787 1 328 . 1 1 56 56 ASN CB C 13 37.766 . . 1 . . . . 74 ASN CB . 19787 1 329 . 1 1 56 56 ASN N N 15 115.470 . . 1 . . . . 74 ASN N . 19787 1 330 . 1 1 57 57 GLU H H 1 7.380 . . 1 . . . . 75 GLU H . 19787 1 331 . 1 1 57 57 GLU HA H 1 4.889 . . 1 . . . . 75 GLU HA . 19787 1 332 . 1 1 57 57 GLU C C 13 172.427 . . 1 . . . . 75 GLU C . 19787 1 333 . 1 1 57 57 GLU CA C 13 53.519 . . 1 . . . . 75 GLU CA . 19787 1 334 . 1 1 57 57 GLU CB C 13 32.081 . . 1 . . . . 75 GLU CB . 19787 1 335 . 1 1 57 57 GLU N N 15 115.249 . . 1 . . . . 75 GLU N . 19787 1 336 . 1 1 58 58 PRO HA H 1 3.846 . . 1 . . . . 76 PRO HA . 19787 1 337 . 1 1 58 58 PRO C C 13 174.506 . . 1 . . . . 76 PRO C . 19787 1 338 . 1 1 58 58 PRO CA C 13 62.658 . . 1 . . . . 76 PRO CA . 19787 1 339 . 1 1 58 58 PRO CB C 13 32.108 . . 1 . . . . 76 PRO CB . 19787 1 340 . 1 1 59 59 PHE H H 1 9.264 . . 1 . . . . 77 PHE H . 19787 1 341 . 1 1 59 59 PHE HA H 1 4.761 . . 1 . . . . 77 PHE HA . 19787 1 342 . 1 1 59 59 PHE C C 13 173.430 . . 1 . . . . 77 PHE C . 19787 1 343 . 1 1 59 59 PHE CA C 13 57.665 . . 1 . . . . 77 PHE CA . 19787 1 344 . 1 1 59 59 PHE CB C 13 41.539 . . 1 . . . . 77 PHE CB . 19787 1 345 . 1 1 59 59 PHE N N 15 124.850 . . 1 . . . . 77 PHE N . 19787 1 346 . 1 1 60 60 VAL H H 1 7.311 . . 1 . . . . 78 VAL H . 19787 1 347 . 1 1 60 60 VAL HA H 1 5.169 . . 1 . . . . 78 VAL HA . 19787 1 348 . 1 1 60 60 VAL C C 13 174.765 . . 1 . . . . 78 VAL C . 19787 1 349 . 1 1 60 60 VAL CA C 13 59.179 . . 1 . . . . 78 VAL CA . 19787 1 350 . 1 1 60 60 VAL CB C 13 33.941 . . 1 . . . . 78 VAL CB . 19787 1 351 . 1 1 60 60 VAL N N 15 127.100 . . 1 . . . . 78 VAL N . 19787 1 352 . 1 1 61 61 PHE H H 1 8.101 . . 1 . . . . 79 PHE H . 19787 1 353 . 1 1 61 61 PHE HA H 1 4.731 . . 1 . . . . 79 PHE HA . 19787 1 354 . 1 1 61 61 PHE C C 13 172.150 . . 1 . . . . 79 PHE C . 19787 1 355 . 1 1 61 61 PHE CA C 13 55.537 . . 1 . . . . 79 PHE CA . 19787 1 356 . 1 1 61 61 PHE CB C 13 40.581 . . 1 . . . . 79 PHE CB . 19787 1 357 . 1 1 61 61 PHE N N 15 120.754 . . 1 . . . . 79 PHE N . 19787 1 358 . 1 1 62 62 SER H H 1 8.287 . . 1 . . . . 80 SER H . 19787 1 359 . 1 1 62 62 SER HA H 1 4.917 . . 1 . . . . 80 SER HA . 19787 1 360 . 1 1 62 62 SER C C 13 174.291 . . 1 . . . . 80 SER C . 19787 1 361 . 1 1 62 62 SER CA C 13 56.804 . . 1 . . . . 80 SER CA . 19787 1 362 . 1 1 62 62 SER CB C 13 62.942 . . 1 . . . . 80 SER CB . 19787 1 363 . 1 1 62 62 SER N N 15 115.277 . . 1 . . . . 80 SER N . 19787 1 364 . 1 1 63 63 LEU H H 1 8.852 . . 1 . . . . 81 LEU H . 19787 1 365 . 1 1 63 63 LEU HA H 1 3.981 . . 1 . . . . 81 LEU HA . 19787 1 366 . 1 1 63 63 LEU C C 13 177.637 . . 1 . . . . 81 LEU C . 19787 1 367 . 1 1 63 63 LEU CA C 13 56.455 . . 1 . . . . 81 LEU CA . 19787 1 368 . 1 1 63 63 LEU CB C 13 42.216 . . 1 . . . . 81 LEU CB . 19787 1 369 . 1 1 63 63 LEU N N 15 129.621 . . 1 . . . . 81 LEU N . 19787 1 370 . 1 1 64 64 GLY H H 1 9.125 . . 1 . . . . 82 GLY H . 19787 1 371 . 1 1 64 64 GLY HA2 H 1 3.556 . . 1 . . . . 82 GLY HA2 . 19787 1 372 . 1 1 64 64 GLY HA3 H 1 3.556 . . 1 . . . . 82 GLY HA3 . 19787 1 373 . 1 1 64 64 GLY C C 13 174.211 . . 1 . . . . 82 GLY C . 19787 1 374 . 1 1 64 64 GLY CA C 13 46.729 . . 1 . . . . 82 GLY CA . 19787 1 375 . 1 1 64 64 GLY N N 15 114.976 . . 1 . . . . 82 GLY N . 19787 1 376 . 1 1 65 65 LYS H H 1 7.697 . . 1 . . . . 83 LYS H . 19787 1 377 . 1 1 65 65 LYS HA H 1 4.525 . . 1 . . . . 83 LYS HA . 19787 1 378 . 1 1 65 65 LYS C C 13 176.653 . . 1 . . . . 83 LYS C . 19787 1 379 . 1 1 65 65 LYS CA C 13 53.923 . . 1 . . . . 83 LYS CA . 19787 1 380 . 1 1 65 65 LYS CB C 13 32.757 . . 1 . . . . 83 LYS CB . 19787 1 381 . 1 1 65 65 LYS N N 15 117.063 . . 1 . . . . 83 LYS N . 19787 1 382 . 1 1 66 66 GLY H H 1 8.803 . . 1 . . . . 84 GLY H . 19787 1 383 . 1 1 66 66 GLY HA2 H 1 3.943 . . 1 . . . . 84 GLY HA2 . 19787 1 384 . 1 1 66 66 GLY HA3 H 1 3.943 . . 1 . . . . 84 GLY HA3 . 19787 1 385 . 1 1 66 66 GLY C C 13 175.667 . . 1 . . . . 84 GLY C . 19787 1 386 . 1 1 66 66 GLY CA C 13 46.573 . . 1 . . . . 84 GLY CA . 19787 1 387 . 1 1 66 66 GLY N N 15 111.802 . . 1 . . . . 84 GLY N . 19787 1 388 . 1 1 67 67 GLN H H 1 9.206 . . 1 . . . . 85 GLN H . 19787 1 389 . 1 1 67 67 GLN HA H 1 4.088 . . 1 . . . . 85 GLN HA . 19787 1 390 . 1 1 67 67 GLN C C 13 174.704 . . 1 . . . . 85 GLN C . 19787 1 391 . 1 1 67 67 GLN CA C 13 56.747 . . 1 . . . . 85 GLN CA . 19787 1 392 . 1 1 67 67 GLN CB C 13 34.176 . . 1 . . . . 85 GLN CB . 19787 1 393 . 1 1 67 67 GLN N N 15 118.561 . . 1 . . . . 85 GLN N . 19787 1 394 . 1 1 68 68 VAL H H 1 6.749 . . 1 . . . . 86 VAL H . 19787 1 395 . 1 1 68 68 VAL HA H 1 4.089 . . 1 . . . . 86 VAL HA . 19787 1 396 . 1 1 68 68 VAL C C 13 175.167 . . 1 . . . . 86 VAL C . 19787 1 397 . 1 1 68 68 VAL CA C 13 57.289 . . 1 . . . . 86 VAL CA . 19787 1 398 . 1 1 68 68 VAL CB C 13 35.743 . . 1 . . . . 86 VAL CB . 19787 1 399 . 1 1 68 68 VAL N N 15 108.827 . . 1 . . . . 86 VAL N . 19787 1 400 . 1 1 69 69 ILE H H 1 7.031 . . 1 . . . . 87 ILE H . 19787 1 401 . 1 1 69 69 ILE HA H 1 3.729 . . 1 . . . . 87 ILE HA . 19787 1 402 . 1 1 69 69 ILE C C 13 177.165 . . 1 . . . . 87 ILE C . 19787 1 403 . 1 1 69 69 ILE CA C 13 61.654 . . 1 . . . . 87 ILE CA . 19787 1 404 . 1 1 69 69 ILE CB C 13 38.255 . . 1 . . . . 87 ILE CB . 19787 1 405 . 1 1 69 69 ILE N N 15 111.872 . . 1 . . . . 87 ILE N . 19787 1 406 . 1 1 70 70 LYS H H 1 8.821 . . 1 . . . . 88 LYS H . 19787 1 407 . 1 1 70 70 LYS HA H 1 4.144 . . 1 . . . . 88 LYS HA . 19787 1 408 . 1 1 70 70 LYS C C 13 179.268 . . 1 . . . . 88 LYS C . 19787 1 409 . 1 1 70 70 LYS CA C 13 59.507 . . 1 . . . . 88 LYS CA . 19787 1 410 . 1 1 70 70 LYS CB C 13 32.847 . . 1 . . . . 88 LYS CB . 19787 1 411 . 1 1 70 70 LYS N N 15 124.388 . . 1 . . . . 88 LYS N . 19787 1 412 . 1 1 71 71 ALA H H 1 8.809 . . 1 . . . . 89 ALA H . 19787 1 413 . 1 1 71 71 ALA HA H 1 3.954 . . 1 . . . . 89 ALA HA . 19787 1 414 . 1 1 71 71 ALA C C 13 179.465 . . 1 . . . . 89 ALA C . 19787 1 415 . 1 1 71 71 ALA CA C 13 55.147 . . 1 . . . . 89 ALA CA . 19787 1 416 . 1 1 71 71 ALA CB C 13 20.738 . . 1 . . . . 89 ALA CB . 19787 1 417 . 1 1 71 71 ALA N N 15 114.144 . . 1 . . . . 89 ALA N . 19787 1 418 . 1 1 72 72 TRP H H 1 7.530 . . 1 . . . . 90 TRP H . 19787 1 419 . 1 1 72 72 TRP HA H 1 4.115 . . 1 . . . . 90 TRP HA . 19787 1 420 . 1 1 72 72 TRP C C 13 177.493 . . 1 . . . . 90 TRP C . 19787 1 421 . 1 1 72 72 TRP CA C 13 59.488 . . 1 . . . . 90 TRP CA . 19787 1 422 . 1 1 72 72 TRP CB C 13 28.912 . . 1 . . . . 90 TRP CB . 19787 1 423 . 1 1 72 72 TRP N N 15 115.010 . . 1 . . . . 90 TRP N . 19787 1 424 . 1 1 73 73 ASP H H 1 6.996 . . 1 . . . . 91 ASP H . 19787 1 425 . 1 1 73 73 ASP HA H 1 4.814 . . 1 . . . . 91 ASP HA . 19787 1 426 . 1 1 73 73 ASP C C 13 179.046 . . 1 . . . . 91 ASP C . 19787 1 427 . 1 1 73 73 ASP CA C 13 57.687 . . 1 . . . . 91 ASP CA . 19787 1 428 . 1 1 73 73 ASP CB C 13 40.343 . . 1 . . . . 91 ASP CB . 19787 1 429 . 1 1 73 73 ASP N N 15 121.698 . . 1 . . . . 91 ASP N . 19787 1 430 . 1 1 74 74 ILE H H 1 8.073 . . 1 . . . . 92 ILE H . 19787 1 431 . 1 1 74 74 ILE HA H 1 3.814 . . 1 . . . . 92 ILE HA . 19787 1 432 . 1 1 74 74 ILE C C 13 178.694 . . 1 . . . . 92 ILE C . 19787 1 433 . 1 1 74 74 ILE CA C 13 63.872 . . 1 . . . . 92 ILE CA . 19787 1 434 . 1 1 74 74 ILE CB C 13 39.294 . . 1 . . . . 92 ILE CB . 19787 1 435 . 1 1 74 74 ILE N N 15 115.065 . . 1 . . . . 92 ILE N . 19787 1 436 . 1 1 75 75 GLY H H 1 8.406 . . 1 . . . . 93 GLY H . 19787 1 437 . 1 1 75 75 GLY HA2 H 1 3.601 . . 1 . . . . 93 GLY HA2 . 19787 1 438 . 1 1 75 75 GLY HA3 H 1 3.415 . . 1 . . . . 93 GLY HA3 . 19787 1 439 . 1 1 75 75 GLY C C 13 177.280 . . 1 . . . . 93 GLY C . 19787 1 440 . 1 1 75 75 GLY CA C 13 46.955 . . 1 . . . . 93 GLY CA . 19787 1 441 . 1 1 75 75 GLY N N 15 105.690 . . 1 . . . . 93 GLY N . 19787 1 442 . 1 1 76 76 VAL H H 1 9.324 . . 1 . . . . 94 VAL H . 19787 1 443 . 1 1 76 76 VAL HA H 1 3.405 . . 1 . . . . 94 VAL HA . 19787 1 444 . 1 1 76 76 VAL C C 13 175.843 . . 1 . . . . 94 VAL C . 19787 1 445 . 1 1 76 76 VAL CA C 13 66.390 . . 1 . . . . 94 VAL CA . 19787 1 446 . 1 1 76 76 VAL CB C 13 29.971 . . 1 . . . . 94 VAL CB . 19787 1 447 . 1 1 76 76 VAL N N 15 124.557 . . 1 . . . . 94 VAL N . 19787 1 448 . 1 1 77 77 ALA H H 1 6.286 . . 1 . . . . 95 ALA H . 19787 1 449 . 1 1 77 77 ALA HA H 1 3.809 . . 1 . . . . 95 ALA HA . 19787 1 450 . 1 1 77 77 ALA C C 13 176.935 . . 1 . . . . 95 ALA C . 19787 1 451 . 1 1 77 77 ALA CA C 13 53.881 . . 1 . . . . 95 ALA CA . 19787 1 452 . 1 1 77 77 ALA CB C 13 18.783 . . 1 . . . . 95 ALA CB . 19787 1 453 . 1 1 77 77 ALA N N 15 116.201 . . 1 . . . . 95 ALA N . 19787 1 454 . 1 1 78 78 THR H H 1 7.054 . . 1 . . . . 96 THR H . 19787 1 455 . 1 1 78 78 THR HA H 1 4.405 . . 1 . . . . 96 THR HA . 19787 1 456 . 1 1 78 78 THR C C 13 174.850 . . 1 . . . . 96 THR C . 19787 1 457 . 1 1 78 78 THR CA C 13 61.489 . . 1 . . . . 96 THR CA . 19787 1 458 . 1 1 78 78 THR CB C 13 71.145 . . 1 . . . . 96 THR CB . 19787 1 459 . 1 1 78 78 THR N N 15 103.452 . . 1 . . . . 96 THR N . 19787 1 460 . 1 1 79 79 MET H H 1 7.287 . . 1 . . . . 97 MET H . 19787 1 461 . 1 1 79 79 MET HA H 1 4.317 . . 1 . . . . 97 MET HA . 19787 1 462 . 1 1 79 79 MET C C 13 172.574 . . 1 . . . . 97 MET C . 19787 1 463 . 1 1 79 79 MET CA C 13 56.360 . . 1 . . . . 97 MET CA . 19787 1 464 . 1 1 79 79 MET CB C 13 36.080 . . 1 . . . . 97 MET CB . 19787 1 465 . 1 1 79 79 MET N N 15 123.516 . . 1 . . . . 97 MET N . 19787 1 466 . 1 1 80 80 LYS H H 1 7.124 . . 1 . . . . 98 LYS H . 19787 1 467 . 1 1 80 80 LYS HA H 1 4.680 . . 1 . . . . 98 LYS HA . 19787 1 468 . 1 1 80 80 LYS C C 13 177.665 . . 1 . . . . 98 LYS C . 19787 1 469 . 1 1 80 80 LYS CA C 13 53.715 . . 1 . . . . 98 LYS CA . 19787 1 470 . 1 1 80 80 LYS CB C 13 34.752 . . 1 . . . . 98 LYS CB . 19787 1 471 . 1 1 80 80 LYS N N 15 115.600 . . 1 . . . . 98 LYS N . 19787 1 472 . 1 1 81 81 LYS H H 1 9.207 . . 1 . . . . 99 LYS H . 19787 1 473 . 1 1 81 81 LYS HA H 1 3.596 . . 1 . . . . 99 LYS HA . 19787 1 474 . 1 1 81 81 LYS C C 13 176.794 . . 1 . . . . 99 LYS C . 19787 1 475 . 1 1 81 81 LYS CA C 13 60.335 . . 1 . . . . 99 LYS CA . 19787 1 476 . 1 1 81 81 LYS CB C 13 32.569 . . 1 . . . . 99 LYS CB . 19787 1 477 . 1 1 81 81 LYS N N 15 121.694 . . 1 . . . . 99 LYS N . 19787 1 478 . 1 1 82 82 GLY H H 1 9.018 . . 1 . . . . 100 GLY H . 19787 1 479 . 1 1 82 82 GLY HA2 H 1 4.339 . . 1 . . . . 100 GLY HA2 . 19787 1 480 . 1 1 82 82 GLY HA3 H 1 3.875 . . 1 . . . . 100 GLY HA3 . 19787 1 481 . 1 1 82 82 GLY C C 13 174.206 . . 1 . . . . 100 GLY C . 19787 1 482 . 1 1 82 82 GLY CA C 13 44.979 . . 1 . . . . 100 GLY CA . 19787 1 483 . 1 1 82 82 GLY N N 15 114.573 . . 1 . . . . 100 GLY N . 19787 1 484 . 1 1 83 83 GLU H H 1 8.389 . . 1 . . . . 101 GLU H . 19787 1 485 . 1 1 83 83 GLU HA H 1 4.310 . . 1 . . . . 101 GLU HA . 19787 1 486 . 1 1 83 83 GLU C C 13 175.666 . . 1 . . . . 101 GLU C . 19787 1 487 . 1 1 83 83 GLU CA C 13 55.530 . . 1 . . . . 101 GLU CA . 19787 1 488 . 1 1 83 83 GLU CB C 13 33.613 . . 1 . . . . 101 GLU CB . 19787 1 489 . 1 1 83 83 GLU N N 15 124.654 . . 1 . . . . 101 GLU N . 19787 1 490 . 1 1 84 84 ILE H H 1 8.505 . . 1 . . . . 102 ILE H . 19787 1 491 . 1 1 84 84 ILE HA H 1 5.280 . . 1 . . . . 102 ILE HA . 19787 1 492 . 1 1 84 84 ILE C C 13 176.649 . . 1 . . . . 102 ILE C . 19787 1 493 . 1 1 84 84 ILE CA C 13 60.173 . . 1 . . . . 102 ILE CA . 19787 1 494 . 1 1 84 84 ILE CB C 13 40.156 . . 1 . . . . 102 ILE CB . 19787 1 495 . 1 1 84 84 ILE N N 15 120.959 . . 1 . . . . 102 ILE N . 19787 1 496 . 1 1 85 85 CYS H H 1 9.623 . . 1 . . . . 103 CYS H . 19787 1 497 . 1 1 85 85 CYS HA H 1 5.516 . . 1 . . . . 103 CYS HA . 19787 1 498 . 1 1 85 85 CYS C C 13 171.027 . . 1 . . . . 103 CYS C . 19787 1 499 . 1 1 85 85 CYS CA C 13 54.622 . . 1 . . . . 103 CYS CA . 19787 1 500 . 1 1 85 85 CYS CB C 13 32.501 . . 1 . . . . 103 CYS CB . 19787 1 501 . 1 1 85 85 CYS N N 15 123.541 . . 1 . . . . 103 CYS N . 19787 1 502 . 1 1 86 86 HIS H H 1 9.341 . . 1 . . . . 104 HIS H . 19787 1 503 . 1 1 86 86 HIS HA H 1 5.748 . . 1 . . . . 104 HIS HA . 19787 1 504 . 1 1 86 86 HIS C C 13 174.833 . . 1 . . . . 104 HIS C . 19787 1 505 . 1 1 86 86 HIS CA C 13 52.808 . . 1 . . . . 104 HIS CA . 19787 1 506 . 1 1 86 86 HIS CB C 13 33.977 . . 1 . . . . 104 HIS CB . 19787 1 507 . 1 1 86 86 HIS N N 15 120.416 . . 1 . . . . 104 HIS N . 19787 1 508 . 1 1 87 87 LEU H H 1 9.141 . . 1 . . . . 105 LEU H . 19787 1 509 . 1 1 87 87 LEU HA H 1 5.427 . . 1 . . . . 105 LEU HA . 19787 1 510 . 1 1 87 87 LEU C C 13 174.711 . . 1 . . . . 105 LEU C . 19787 1 511 . 1 1 87 87 LEU CA C 13 52.637 . . 1 . . . . 105 LEU CA . 19787 1 512 . 1 1 87 87 LEU CB C 13 46.440 . . 1 . . . . 105 LEU CB . 19787 1 513 . 1 1 87 87 LEU N N 15 121.607 . . 1 . . . . 105 LEU N . 19787 1 514 . 1 1 88 88 LEU H H 1 9.040 . . 1 . . . . 106 LEU H . 19787 1 515 . 1 1 88 88 LEU HA H 1 5.140 . . 1 . . . . 106 LEU HA . 19787 1 516 . 1 1 88 88 LEU C C 13 177.562 . . 1 . . . . 106 LEU C . 19787 1 517 . 1 1 88 88 LEU CA C 13 54.278 . . 1 . . . . 106 LEU CA . 19787 1 518 . 1 1 88 88 LEU CB C 13 43.975 . . 1 . . . . 106 LEU CB . 19787 1 519 . 1 1 88 88 LEU N N 15 127.189 . . 1 . . . . 106 LEU N . 19787 1 520 . 1 1 89 89 CYS H H 1 9.362 . . 1 . . . . 107 CYS H . 19787 1 521 . 1 1 89 89 CYS HA H 1 5.318 . . 1 . . . . 107 CYS HA . 19787 1 522 . 1 1 89 89 CYS C C 13 173.269 . . 1 . . . . 107 CYS C . 19787 1 523 . 1 1 89 89 CYS CA C 13 56.073 . . 1 . . . . 107 CYS CA . 19787 1 524 . 1 1 89 89 CYS CB C 13 30.745 . . 1 . . . . 107 CYS CB . 19787 1 525 . 1 1 89 89 CYS N N 15 123.836 . . 1 . . . . 107 CYS N . 19787 1 526 . 1 1 90 90 LYS H H 1 9.129 . . 1 . . . . 108 LYS H . 19787 1 527 . 1 1 90 90 LYS HA H 1 4.489 . . 1 . . . . 108 LYS HA . 19787 1 528 . 1 1 90 90 LYS C C 13 175.645 . . 1 . . . . 108 LYS C . 19787 1 529 . 1 1 90 90 LYS CA C 13 55.409 . . 1 . . . . 108 LYS CA . 19787 1 530 . 1 1 90 90 LYS CB C 13 30.830 . . 1 . . . . 108 LYS CB . 19787 1 531 . 1 1 90 90 LYS N N 15 124.563 . . 1 . . . . 108 LYS N . 19787 1 532 . 1 1 91 91 PRO HA H 1 4.350 . . 1 . . . . 109 PRO HA . 19787 1 533 . 1 1 91 91 PRO C C 13 179.772 . . 1 . . . . 109 PRO C . 19787 1 534 . 1 1 91 91 PRO CA C 13 65.593 . . 1 . . . . 109 PRO CA . 19787 1 535 . 1 1 91 91 PRO CB C 13 30.790 . . 1 . . . . 109 PRO CB . 19787 1 536 . 1 1 92 92 GLU H H 1 9.534 . . 1 . . . . 110 GLU H . 19787 1 537 . 1 1 92 92 GLU HA H 1 3.930 . . 1 . . . . 110 GLU HA . 19787 1 538 . 1 1 92 92 GLU C C 13 176.936 . . 1 . . . . 110 GLU C . 19787 1 539 . 1 1 92 92 GLU CA C 13 59.525 . . 1 . . . . 110 GLU CA . 19787 1 540 . 1 1 92 92 GLU CB C 13 28.192 . . 1 . . . . 110 GLU CB . 19787 1 541 . 1 1 92 92 GLU N N 15 118.722 . . 1 . . . . 110 GLU N . 19787 1 542 . 1 1 93 93 TYR H H 1 7.988 . . 1 . . . . 111 TYR H . 19787 1 543 . 1 1 93 93 TYR HA H 1 4.260 . . 1 . . . . 111 TYR HA . 19787 1 544 . 1 1 93 93 TYR C C 13 172.585 . . 1 . . . . 111 TYR C . 19787 1 545 . 1 1 93 93 TYR CA C 13 58.070 . . 1 . . . . 111 TYR CA . 19787 1 546 . 1 1 93 93 TYR CB C 13 39.316 . . 1 . . . . 111 TYR CB . 19787 1 547 . 1 1 93 93 TYR N N 15 116.936 . . 1 . . . . 111 TYR N . 19787 1 548 . 1 1 94 94 ALA H H 1 7.823 . . 1 . . . . 112 ALA H . 19787 1 549 . 1 1 94 94 ALA HA H 1 4.328 . . 1 . . . . 112 ALA HA . 19787 1 550 . 1 1 94 94 ALA C C 13 175.690 . . 1 . . . . 112 ALA C . 19787 1 551 . 1 1 94 94 ALA CA C 13 51.443 . . 1 . . . . 112 ALA CA . 19787 1 552 . 1 1 94 94 ALA CB C 13 19.111 . . 1 . . . . 112 ALA CB . 19787 1 553 . 1 1 94 94 ALA N N 15 125.186 . . 1 . . . . 112 ALA N . 19787 1 554 . 1 1 95 95 TYR H H 1 9.141 . . 1 . . . . 113 TYR H . 19787 1 555 . 1 1 95 95 TYR HA H 1 4.415 . . 1 . . . . 113 TYR HA . 19787 1 556 . 1 1 95 95 TYR C C 13 176.401 . . 1 . . . . 113 TYR C . 19787 1 557 . 1 1 95 95 TYR CA C 13 59.075 . . 1 . . . . 113 TYR CA . 19787 1 558 . 1 1 95 95 TYR CB C 13 37.706 . . 1 . . . . 113 TYR CB . 19787 1 559 . 1 1 95 95 TYR N N 15 121.607 . . 1 . . . . 113 TYR N . 19787 1 560 . 1 1 96 96 GLY H H 1 8.344 . . 1 . . . . 114 GLY H . 19787 1 561 . 1 1 96 96 GLY HA2 H 1 3.555 . . 1 . . . . 114 GLY HA2 . 19787 1 562 . 1 1 96 96 GLY HA3 H 1 4.004 . . 1 . . . . 114 GLY HA3 . 19787 1 563 . 1 1 96 96 GLY C C 13 175.161 . . 1 . . . . 114 GLY C . 19787 1 564 . 1 1 96 96 GLY CA C 13 46.613 . . 1 . . . . 114 GLY CA . 19787 1 565 . 1 1 96 96 GLY N N 15 107.249 . . 1 . . . . 114 GLY N . 19787 1 566 . 1 1 97 97 SER HA H 1 4.112 . . 1 . . . . 115 SER HA . 19787 1 567 . 1 1 97 97 SER C C 13 176.319 . . 1 . . . . 115 SER C . 19787 1 568 . 1 1 97 97 SER CA C 13 59.930 . . 1 . . . . 115 SER CA . 19787 1 569 . 1 1 97 97 SER CB C 13 62.667 . . 1 . . . . 115 SER CB . 19787 1 570 . 1 1 98 98 ALA H H 1 8.611 . . 1 . . . . 116 ALA H . 19787 1 571 . 1 1 98 98 ALA HA H 1 4.149 . . 1 . . . . 116 ALA HA . 19787 1 572 . 1 1 98 98 ALA C C 13 180.548 . . 1 . . . . 116 ALA C . 19787 1 573 . 1 1 98 98 ALA CA C 13 54.198 . . 1 . . . . 116 ALA CA . 19787 1 574 . 1 1 98 98 ALA CB C 13 19.004 . . 1 . . . . 116 ALA CB . 19787 1 575 . 1 1 98 98 ALA N N 15 124.702 . . 1 . . . . 116 ALA N . 19787 1 576 . 1 1 99 99 GLY H H 1 7.176 . . 1 . . . . 117 GLY H . 19787 1 577 . 1 1 99 99 GLY HA2 H 1 3.569 . . 1 . . . . 117 GLY HA2 . 19787 1 578 . 1 1 99 99 GLY HA3 H 1 3.267 . . 1 . . . . 117 GLY HA3 . 19787 1 579 . 1 1 99 99 GLY C C 13 171.726 . . 1 . . . . 117 GLY C . 19787 1 580 . 1 1 99 99 GLY CA C 13 44.188 . . 1 . . . . 117 GLY CA . 19787 1 581 . 1 1 99 99 GLY N N 15 101.728 . . 1 . . . . 117 GLY N . 19787 1 582 . 1 1 100 100 SER H H 1 8.534 . . 1 . . . . 118 SER H . 19787 1 583 . 1 1 100 100 SER HA H 1 4.225 . . 1 . . . . 118 SER HA . 19787 1 584 . 1 1 100 100 SER C C 13 173.985 . . 1 . . . . 118 SER C . 19787 1 585 . 1 1 100 100 SER CA C 13 56.193 . . 1 . . . . 118 SER CA . 19787 1 586 . 1 1 100 100 SER CB C 13 61.316 . . 1 . . . . 118 SER CB . 19787 1 587 . 1 1 100 100 SER N N 15 115.618 . . 1 . . . . 118 SER N . 19787 1 588 . 1 1 101 101 LEU H H 1 8.813 . . 1 . . . . 119 LEU H . 19787 1 589 . 1 1 101 101 LEU HA H 1 3.699 . . 1 . . . . 119 LEU HA . 19787 1 590 . 1 1 101 101 LEU C C 13 176.635 . . 1 . . . . 119 LEU C . 19787 1 591 . 1 1 101 101 LEU CA C 13 54.879 . . 1 . . . . 119 LEU CA . 19787 1 592 . 1 1 101 101 LEU CB C 13 40.237 . . 1 . . . . 119 LEU CB . 19787 1 593 . 1 1 101 101 LEU N N 15 129.012 . . 1 . . . . 119 LEU N . 19787 1 594 . 1 1 102 102 PRO HA H 1 4.289 . . 1 . . . . 120 PRO HA . 19787 1 595 . 1 1 102 102 PRO C C 13 176.884 . . 1 . . . . 120 PRO C . 19787 1 596 . 1 1 102 102 PRO CA C 13 63.401 . . 1 . . . . 120 PRO CA . 19787 1 597 . 1 1 102 102 PRO CB C 13 34.773 . . 1 . . . . 120 PRO CB . 19787 1 598 . 1 1 103 103 LYS H H 1 7.984 . . 1 . . . . 121 LYS H . 19787 1 599 . 1 1 103 103 LYS HA H 1 4.091 . . 1 . . . . 121 LYS HA . 19787 1 600 . 1 1 103 103 LYS C C 13 175.841 . . 1 . . . . 121 LYS C . 19787 1 601 . 1 1 103 103 LYS CA C 13 59.489 . . 1 . . . . 121 LYS CA . 19787 1 602 . 1 1 103 103 LYS CB C 13 33.715 . . 1 . . . . 121 LYS CB . 19787 1 603 . 1 1 103 103 LYS N N 15 122.094 . . 1 . . . . 121 LYS N . 19787 1 604 . 1 1 104 104 ILE H H 1 7.474 . . 1 . . . . 122 ILE H . 19787 1 605 . 1 1 104 104 ILE HA H 1 4.230 . . 1 . . . . 122 ILE HA . 19787 1 606 . 1 1 104 104 ILE C C 13 173.883 . . 1 . . . . 122 ILE C . 19787 1 607 . 1 1 104 104 ILE CA C 13 56.980 . . 1 . . . . 122 ILE CA . 19787 1 608 . 1 1 104 104 ILE CB C 13 39.131 . . 1 . . . . 122 ILE CB . 19787 1 609 . 1 1 104 104 ILE N N 15 116.532 . . 1 . . . . 122 ILE N . 19787 1 610 . 1 1 105 105 PRO HA H 1 4.333 . . 1 . . . . 123 PRO HA . 19787 1 611 . 1 1 105 105 PRO C C 13 175.542 . . 1 . . . . 123 PRO C . 19787 1 612 . 1 1 105 105 PRO CA C 13 61.584 . . 1 . . . . 123 PRO CA . 19787 1 613 . 1 1 105 105 PRO CB C 13 32.833 . . 1 . . . . 123 PRO CB . 19787 1 614 . 1 1 106 106 SER H H 1 8.322 . . 1 . . . . 124 SER H . 19787 1 615 . 1 1 106 106 SER HA H 1 4.325 . . 1 . . . . 124 SER HA . 19787 1 616 . 1 1 106 106 SER C C 13 174.343 . . 1 . . . . 124 SER C . 19787 1 617 . 1 1 106 106 SER CA C 13 59.133 . . 1 . . . . 124 SER CA . 19787 1 618 . 1 1 106 106 SER CB C 13 63.852 . . 1 . . . . 124 SER CB . 19787 1 619 . 1 1 106 106 SER N N 15 113.173 . . 1 . . . . 124 SER N . 19787 1 620 . 1 1 107 107 ASN H H 1 8.091 . . 1 . . . . 125 ASN H . 19787 1 621 . 1 1 107 107 ASN HA H 1 3.871 . . 1 . . . . 125 ASN HA . 19787 1 622 . 1 1 107 107 ASN C C 13 173.424 . . 1 . . . . 125 ASN C . 19787 1 623 . 1 1 107 107 ASN CA C 13 54.333 . . 1 . . . . 125 ASN CA . 19787 1 624 . 1 1 107 107 ASN CB C 13 37.042 . . 1 . . . . 125 ASN CB . 19787 1 625 . 1 1 107 107 ASN N N 15 120.348 . . 1 . . . . 125 ASN N . 19787 1 626 . 1 1 108 108 ALA H H 1 7.877 . . 1 . . . . 126 ALA H . 19787 1 627 . 1 1 108 108 ALA HA H 1 4.313 . . 1 . . . . 126 ALA HA . 19787 1 628 . 1 1 108 108 ALA C C 13 176.942 . . 1 . . . . 126 ALA C . 19787 1 629 . 1 1 108 108 ALA CA C 13 52.392 . . 1 . . . . 126 ALA CA . 19787 1 630 . 1 1 108 108 ALA CB C 13 20.366 . . 1 . . . . 126 ALA CB . 19787 1 631 . 1 1 108 108 ALA N N 15 121.533 . . 1 . . . . 126 ALA N . 19787 1 632 . 1 1 109 109 THR H H 1 8.508 . . 1 . . . . 127 THR H . 19787 1 633 . 1 1 109 109 THR HA H 1 4.705 . . 1 . . . . 127 THR HA . 19787 1 634 . 1 1 109 109 THR C C 13 174.286 . . 1 . . . . 127 THR C . 19787 1 635 . 1 1 109 109 THR CA C 13 62.930 . . 1 . . . . 127 THR CA . 19787 1 636 . 1 1 109 109 THR CB C 13 69.196 . . 1 . . . . 127 THR CB . 19787 1 637 . 1 1 109 109 THR N N 15 122.146 . . 1 . . . . 127 THR N . 19787 1 638 . 1 1 110 110 LEU H H 1 8.725 . . 1 . . . . 128 LEU H . 19787 1 639 . 1 1 110 110 LEU HA H 1 4.897 . . 1 . . . . 128 LEU HA . 19787 1 640 . 1 1 110 110 LEU C C 13 174.147 . . 1 . . . . 128 LEU C . 19787 1 641 . 1 1 110 110 LEU CA C 13 52.917 . . 1 . . . . 128 LEU CA . 19787 1 642 . 1 1 110 110 LEU CB C 13 46.335 . . 1 . . . . 128 LEU CB . 19787 1 643 . 1 1 110 110 LEU N N 15 125.431 . . 1 . . . . 128 LEU N . 19787 1 644 . 1 1 111 111 PHE H H 1 8.586 . . 1 . . . . 129 PHE H . 19787 1 645 . 1 1 111 111 PHE HA H 1 5.445 . . 1 . . . . 129 PHE HA . 19787 1 646 . 1 1 111 111 PHE C C 13 174.564 . . 1 . . . . 129 PHE C . 19787 1 647 . 1 1 111 111 PHE CA C 13 55.580 . . 1 . . . . 129 PHE CA . 19787 1 648 . 1 1 111 111 PHE CB C 13 41.934 . . 1 . . . . 129 PHE CB . 19787 1 649 . 1 1 111 111 PHE N N 15 122.205 . . 1 . . . . 129 PHE N . 19787 1 650 . 1 1 112 112 PHE H H 1 8.860 . . 1 . . . . 130 PHE H . 19787 1 651 . 1 1 112 112 PHE HA H 1 5.723 . . 1 . . . . 130 PHE HA . 19787 1 652 . 1 1 112 112 PHE C C 13 174.139 . . 1 . . . . 130 PHE C . 19787 1 653 . 1 1 112 112 PHE CA C 13 56.048 . . 1 . . . . 130 PHE CA . 19787 1 654 . 1 1 112 112 PHE CB C 13 43.470 . . 1 . . . . 130 PHE CB . 19787 1 655 . 1 1 112 112 PHE N N 15 120.597 . . 1 . . . . 130 PHE N . 19787 1 656 . 1 1 113 113 GLU H H 1 8.710 . . 1 . . . . 131 GLU H . 19787 1 657 . 1 1 113 113 GLU HA H 1 5.256 . . 1 . . . . 131 GLU HA . 19787 1 658 . 1 1 113 113 GLU C C 13 175.603 . . 1 . . . . 131 GLU C . 19787 1 659 . 1 1 113 113 GLU CA C 13 54.838 . . 1 . . . . 131 GLU CA . 19787 1 660 . 1 1 113 113 GLU CB C 13 32.070 . . 1 . . . . 131 GLU CB . 19787 1 661 . 1 1 113 113 GLU N N 15 121.834 . . 1 . . . . 131 GLU N . 19787 1 662 . 1 1 114 114 ILE H H 1 9.057 . . 1 . . . . 132 ILE H . 19787 1 663 . 1 1 114 114 ILE HA H 1 4.839 . . 1 . . . . 132 ILE HA . 19787 1 664 . 1 1 114 114 ILE C C 13 172.506 . . 1 . . . . 132 ILE C . 19787 1 665 . 1 1 114 114 ILE CA C 13 60.059 . . 1 . . . . 132 ILE CA . 19787 1 666 . 1 1 114 114 ILE CB C 13 41.178 . . 1 . . . . 132 ILE CB . 19787 1 667 . 1 1 114 114 ILE N N 15 125.927 . . 1 . . . . 132 ILE N . 19787 1 668 . 1 1 115 115 GLU H H 1 9.258 . . 1 . . . . 133 GLU H . 19787 1 669 . 1 1 115 115 GLU HA H 1 5.324 . . 1 . . . . 133 GLU HA . 19787 1 670 . 1 1 115 115 GLU C C 13 175.543 . . 1 . . . . 133 GLU C . 19787 1 671 . 1 1 115 115 GLU CA C 13 53.188 . . 1 . . . . 133 GLU CA . 19787 1 672 . 1 1 115 115 GLU CB C 13 33.430 . . 1 . . . . 133 GLU CB . 19787 1 673 . 1 1 115 115 GLU N N 15 128.600 . . 1 . . . . 133 GLU N . 19787 1 674 . 1 1 116 116 LEU H H 1 8.363 . . 1 . . . . 134 LEU H . 19787 1 675 . 1 1 116 116 LEU HA H 1 4.686 . . 1 . . . . 134 LEU HA . 19787 1 676 . 1 1 116 116 LEU C C 13 174.915 . . 1 . . . . 134 LEU C . 19787 1 677 . 1 1 116 116 LEU CA C 13 54.477 . . 1 . . . . 134 LEU CA . 19787 1 678 . 1 1 116 116 LEU CB C 13 40.661 . . 1 . . . . 134 LEU CB . 19787 1 679 . 1 1 116 116 LEU N N 15 127.713 . . 1 . . . . 134 LEU N . 19787 1 680 . 1 1 117 117 LEU H H 1 9.065 . . 1 . . . . 135 LEU H . 19787 1 681 . 1 1 117 117 LEU HA H 1 4.208 . . 1 . . . . 135 LEU HA . 19787 1 682 . 1 1 117 117 LEU C C 13 177.565 . . 1 . . . . 135 LEU C . 19787 1 683 . 1 1 117 117 LEU CA C 13 56.835 . . 1 . . . . 135 LEU CA . 19787 1 684 . 1 1 117 117 LEU CB C 13 42.327 . . 1 . . . . 135 LEU CB . 19787 1 685 . 1 1 117 117 LEU N N 15 129.531 . . 1 . . . . 135 LEU N . 19787 1 686 . 1 1 118 118 ASP H H 1 7.830 . . 1 . . . . 136 ASP H . 19787 1 687 . 1 1 118 118 ASP HA H 1 4.472 . . 1 . . . . 136 ASP HA . 19787 1 688 . 1 1 118 118 ASP C C 13 173.715 . . 1 . . . . 136 ASP C . 19787 1 689 . 1 1 118 118 ASP CA C 13 52.872 . . 1 . . . . 136 ASP CA . 19787 1 690 . 1 1 118 118 ASP CB C 13 42.715 . . 1 . . . . 136 ASP CB . 19787 1 691 . 1 1 118 118 ASP N N 15 110.983 . . 1 . . . . 136 ASP N . 19787 1 692 . 1 1 119 119 PHE H H 1 8.308 . . 1 . . . . 137 PHE H . 19787 1 693 . 1 1 119 119 PHE HA H 1 5.688 . . 1 . . . . 137 PHE HA . 19787 1 694 . 1 1 119 119 PHE C C 13 172.957 . . 1 . . . . 137 PHE C . 19787 1 695 . 1 1 119 119 PHE CA C 13 56.362 . . 1 . . . . 137 PHE CA . 19787 1 696 . 1 1 119 119 PHE CB C 13 41.987 . . 1 . . . . 137 PHE CB . 19787 1 697 . 1 1 119 119 PHE N N 15 114.573 . . 1 . . . . 137 PHE N . 19787 1 698 . 1 1 120 120 LYS H H 1 9.131 . . 1 . . . . 138 LYS H . 19787 1 699 . 1 1 120 120 LYS HA H 1 4.566 . . 1 . . . . 138 LYS HA . 19787 1 700 . 1 1 120 120 LYS C C 13 174.894 . . 1 . . . . 138 LYS C . 19787 1 701 . 1 1 120 120 LYS CA C 13 55.018 . . 1 . . . . 138 LYS CA . 19787 1 702 . 1 1 120 120 LYS CB C 13 36.089 . . 1 . . . . 138 LYS CB . 19787 1 703 . 1 1 120 120 LYS N N 15 118.881 . . 1 . . . . 138 LYS N . 19787 1 704 . 1 1 121 121 GLY H H 1 8.534 . . 1 . . . . 139 GLY H . 19787 1 705 . 1 1 121 121 GLY HA2 H 1 4.440 . . 1 . . . . 139 GLY HA2 . 19787 1 706 . 1 1 121 121 GLY HA3 H 1 3.620 . . 1 . . . . 139 GLY HA3 . 19787 1 707 . 1 1 121 121 GLY C C 13 173.525 . . 1 . . . . 139 GLY C . 19787 1 708 . 1 1 121 121 GLY CA C 13 45.309 . . 1 . . . . 139 GLY CA . 19787 1 709 . 1 1 121 121 GLY N N 15 110.940 . . 1 . . . . 139 GLY N . 19787 1 710 . 1 1 122 122 GLU H H 1 8.006 . . 1 . . . . 140 GLU H . 19787 1 711 . 1 1 122 122 GLU HA H 1 4.037 . . 1 . . . . 140 GLU HA . 19787 1 712 . 1 1 122 122 GLU C C 13 181.002 . . 1 . . . . 140 GLU C . 19787 1 713 . 1 1 122 122 GLU CA C 13 57.964 . . 1 . . . . 140 GLU CA . 19787 1 714 . 1 1 122 122 GLU CB C 13 31.255 . . 1 . . . . 140 GLU CB . 19787 1 715 . 1 1 122 122 GLU N N 15 125.871 . . 1 . . . . 140 GLU N . 19787 1 stop_ save_