data_19788 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19788 _Entry.Title ; Human FKBP52-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 FKBP52-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 . 19788 2 David LeMaster . M. . 19788 3 Griselda Hernandez . . . 19788 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' . 19788 2 . 'School of Public Health, University at Albany SUNY' . 19788 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19788 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 341 19788 '15N chemical shifts' 111 19788 '1H chemical shifts' 111 19788 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 . 19788 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19787 FKBP51 19788 PDB 4LAW 'X-ray structure of FKBP52-FK506 binding domain 1 and domain 2' 19788 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19788 _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 . 19788 1 2 David LeMaster . M. . 19788 1 3 Griselda Hernandez . . . 19788 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'conformational dynamics' 19788 1 'FKBP51 and FKBP52' 19788 1 NMR 19788 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19788 _Assembly.ID 1 _Assembly.Name FKBP52 _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 13387.38 _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 FKBP52 1 $FKBP52 A . yes native no no . . . 19788 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 4LAW . . X-ray 2.40 . . 19788 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Hsp 90 binding' 19788 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FKBP52 _Entity.Sf_category entity _Entity.Sf_framecode FKBP52 _Entity.Entry_ID 19788 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FKBP52 _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 ; MEGVDISPKQDEGVLKVIKR EGTGTEMPMIGDRVFVHYTG WLLDGTKFDSSLDRKDKFSF DLGKGEVIKAWDIAIATMKV GEVCHITCKPEYAYGSAGSP PKIPPNATLVFEVELFEFKG E ; _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 121 _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 13387.38 _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 4LAW . FKBP52 . . . . . . . . . . . . . . 19788 1 2 no PDB 1N1A . "Crystal Structure Of The N-Terminal Domain Of Human Fkbp52" . . . . . 100.00 140 100.00 100.00 3.63e-82 . . . . 19788 1 3 no PDB 4DRJ . "O-crystal Structure Of The Ppiase Domain Of Fkbp52, Rapamycin And The Frb Fragment Of Mtor" . . . . . 100.00 144 100.00 100.00 3.71e-82 . . . . 19788 1 4 no EMBL CAA34914 . "unknown protein [Mus musculus]" . . . . . 76.86 519 97.85 100.00 1.15e-59 . . . . 19788 1 5 no PIR S14538 . "transition protein - mouse" . . . . . 76.86 411 97.85 100.00 2.99e-60 . . . . 19788 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Hsp90 binding protein' 19788 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 20 MET . 19788 1 2 21 GLU . 19788 1 3 22 GLY . 19788 1 4 23 VAL . 19788 1 5 24 ASP . 19788 1 6 25 ILE . 19788 1 7 26 SER . 19788 1 8 27 PRO . 19788 1 9 28 LYS . 19788 1 10 29 GLN . 19788 1 11 30 ASP . 19788 1 12 31 GLU . 19788 1 13 32 GLY . 19788 1 14 33 VAL . 19788 1 15 34 LEU . 19788 1 16 35 LYS . 19788 1 17 36 VAL . 19788 1 18 37 ILE . 19788 1 19 38 LYS . 19788 1 20 39 ARG . 19788 1 21 40 GLU . 19788 1 22 41 GLY . 19788 1 23 42 THR . 19788 1 24 43 GLY . 19788 1 25 44 THR . 19788 1 26 45 GLU . 19788 1 27 46 MET . 19788 1 28 47 PRO . 19788 1 29 48 MET . 19788 1 30 49 ILE . 19788 1 31 50 GLY . 19788 1 32 51 ASP . 19788 1 33 52 ARG . 19788 1 34 53 VAL . 19788 1 35 54 PHE . 19788 1 36 55 VAL . 19788 1 37 56 HIS . 19788 1 38 57 TYR . 19788 1 39 58 THR . 19788 1 40 59 GLY . 19788 1 41 60 TRP . 19788 1 42 61 LEU . 19788 1 43 62 LEU . 19788 1 44 63 ASP . 19788 1 45 64 GLY . 19788 1 46 65 THR . 19788 1 47 66 LYS . 19788 1 48 67 PHE . 19788 1 49 68 ASP . 19788 1 50 69 SER . 19788 1 51 70 SER . 19788 1 52 71 LEU . 19788 1 53 72 ASP . 19788 1 54 73 ARG . 19788 1 55 74 LYS . 19788 1 56 75 ASP . 19788 1 57 76 LYS . 19788 1 58 77 PHE . 19788 1 59 78 SER . 19788 1 60 79 PHE . 19788 1 61 80 ASP . 19788 1 62 81 LEU . 19788 1 63 82 GLY . 19788 1 64 83 LYS . 19788 1 65 84 GLY . 19788 1 66 85 GLU . 19788 1 67 86 VAL . 19788 1 68 87 ILE . 19788 1 69 88 LYS . 19788 1 70 89 ALA . 19788 1 71 90 TRP . 19788 1 72 91 ASP . 19788 1 73 92 ILE . 19788 1 74 93 ALA . 19788 1 75 94 ILE . 19788 1 76 95 ALA . 19788 1 77 96 THR . 19788 1 78 97 MET . 19788 1 79 98 LYS . 19788 1 80 99 VAL . 19788 1 81 100 GLY . 19788 1 82 101 GLU . 19788 1 83 102 VAL . 19788 1 84 103 CYS . 19788 1 85 104 HIS . 19788 1 86 105 ILE . 19788 1 87 106 THR . 19788 1 88 107 CYS . 19788 1 89 108 LYS . 19788 1 90 109 PRO . 19788 1 91 110 GLU . 19788 1 92 111 TYR . 19788 1 93 112 ALA . 19788 1 94 113 TYR . 19788 1 95 114 GLY . 19788 1 96 115 SER . 19788 1 97 116 ALA . 19788 1 98 117 GLY . 19788 1 99 118 SER . 19788 1 100 119 PRO . 19788 1 101 120 PRO . 19788 1 102 121 LYS . 19788 1 103 122 ILE . 19788 1 104 123 PRO . 19788 1 105 124 PRO . 19788 1 106 125 ASN . 19788 1 107 126 ALA . 19788 1 108 127 THR . 19788 1 109 128 LEU . 19788 1 110 129 VAL . 19788 1 111 130 PHE . 19788 1 112 131 GLU . 19788 1 113 132 VAL . 19788 1 114 133 GLU . 19788 1 115 134 LEU . 19788 1 116 135 PHE . 19788 1 117 136 GLU . 19788 1 118 137 PHE . 19788 1 119 138 LYS . 19788 1 120 139 GLY . 19788 1 121 140 GLU . 19788 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 19788 1 . GLU 2 2 19788 1 . GLY 3 3 19788 1 . VAL 4 4 19788 1 . ASP 5 5 19788 1 . ILE 6 6 19788 1 . SER 7 7 19788 1 . PRO 8 8 19788 1 . LYS 9 9 19788 1 . GLN 10 10 19788 1 . ASP 11 11 19788 1 . GLU 12 12 19788 1 . GLY 13 13 19788 1 . VAL 14 14 19788 1 . LEU 15 15 19788 1 . LYS 16 16 19788 1 . VAL 17 17 19788 1 . ILE 18 18 19788 1 . LYS 19 19 19788 1 . ARG 20 20 19788 1 . GLU 21 21 19788 1 . GLY 22 22 19788 1 . THR 23 23 19788 1 . GLY 24 24 19788 1 . THR 25 25 19788 1 . GLU 26 26 19788 1 . MET 27 27 19788 1 . PRO 28 28 19788 1 . MET 29 29 19788 1 . ILE 30 30 19788 1 . GLY 31 31 19788 1 . ASP 32 32 19788 1 . ARG 33 33 19788 1 . VAL 34 34 19788 1 . PHE 35 35 19788 1 . VAL 36 36 19788 1 . HIS 37 37 19788 1 . TYR 38 38 19788 1 . THR 39 39 19788 1 . GLY 40 40 19788 1 . TRP 41 41 19788 1 . LEU 42 42 19788 1 . LEU 43 43 19788 1 . ASP 44 44 19788 1 . GLY 45 45 19788 1 . THR 46 46 19788 1 . LYS 47 47 19788 1 . PHE 48 48 19788 1 . ASP 49 49 19788 1 . SER 50 50 19788 1 . SER 51 51 19788 1 . LEU 52 52 19788 1 . ASP 53 53 19788 1 . ARG 54 54 19788 1 . LYS 55 55 19788 1 . ASP 56 56 19788 1 . LYS 57 57 19788 1 . PHE 58 58 19788 1 . SER 59 59 19788 1 . PHE 60 60 19788 1 . ASP 61 61 19788 1 . LEU 62 62 19788 1 . GLY 63 63 19788 1 . LYS 64 64 19788 1 . GLY 65 65 19788 1 . GLU 66 66 19788 1 . VAL 67 67 19788 1 . ILE 68 68 19788 1 . LYS 69 69 19788 1 . ALA 70 70 19788 1 . TRP 71 71 19788 1 . ASP 72 72 19788 1 . ILE 73 73 19788 1 . ALA 74 74 19788 1 . ILE 75 75 19788 1 . ALA 76 76 19788 1 . THR 77 77 19788 1 . MET 78 78 19788 1 . LYS 79 79 19788 1 . VAL 80 80 19788 1 . GLY 81 81 19788 1 . GLU 82 82 19788 1 . VAL 83 83 19788 1 . CYS 84 84 19788 1 . HIS 85 85 19788 1 . ILE 86 86 19788 1 . THR 87 87 19788 1 . CYS 88 88 19788 1 . LYS 89 89 19788 1 . PRO 90 90 19788 1 . GLU 91 91 19788 1 . TYR 92 92 19788 1 . ALA 93 93 19788 1 . TYR 94 94 19788 1 . GLY 95 95 19788 1 . SER 96 96 19788 1 . ALA 97 97 19788 1 . GLY 98 98 19788 1 . SER 99 99 19788 1 . PRO 100 100 19788 1 . PRO 101 101 19788 1 . LYS 102 102 19788 1 . ILE 103 103 19788 1 . PRO 104 104 19788 1 . PRO 105 105 19788 1 . ASN 106 106 19788 1 . ALA 107 107 19788 1 . THR 108 108 19788 1 . LEU 109 109 19788 1 . VAL 110 110 19788 1 . PHE 111 111 19788 1 . GLU 112 112 19788 1 . VAL 113 113 19788 1 . GLU 114 114 19788 1 . LEU 115 115 19788 1 . PHE 116 116 19788 1 . GLU 117 117 19788 1 . PHE 118 118 19788 1 . LYS 119 119 19788 1 . GLY 120 120 19788 1 . GLU 121 121 19788 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 19788 _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 $FKBP52 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 19788 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 19788 _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 $FKBP52 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET11a . . . . . . 19788 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19788 _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 FKBP52 '[U-99% 13C; U-99% 15N]' . . 1 $FKBP52 . . 1.0 . . mM . . . . 19788 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19788 1 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19788 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19788 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19788 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19788 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19788 _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 FKBP52 '[U-98% 15N]' . . 1 $FKBP52 . . 1.0 . . mM . . . . 19788 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 19788 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19788 2 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 19788 2 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 19788 2 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 19788 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 19788 _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 19788 1 pH 6.50 . pH 19788 1 pressure 1 . atm 19788 1 temperature 298.15 . K 19788 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 19788 _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 19788 2 pH 6.50 . pH 19788 2 pressure 1 . atm 19788 2 temperature 298.15 . K 19788 2 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 19788 _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.' . . 19788 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19788 1 'peak picking' 19788 1 processing 19788 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 19788 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19788 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19788 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 19788 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19788 _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 . 900 . . . 19788 1 2 spectrometer_2 Bruker Avance . 600 . . . 19788 1 3 spectrometer_3 Bruker Avance . 700 . . . 19788 1 4 spectrometer_4 Bruker Avance . 600 . . . 19788 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 19788 _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 . . . . . . . . . . . . . . . . . . . . . 19788 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19788 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19788 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19788 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19788 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19788 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19788 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19788 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19788 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_condition_2 . . . . . . . . . . . . . . . . . . . . . 19788 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 19788 _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 . . . . . . . . . 19788 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19788 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19788 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 19788 _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 . 19788 1 2 '3D HNCACB' 1 $sample_1 . 19788 1 3 '3D HNCO' 1 $sample_1 . 19788 1 4 '3D HCACO' 1 $sample_1 . 19788 1 5 '2D 1H-15N HSQC' 2 $sample_2 . 19788 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 . . 19788 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 2 2 GLU C C 13 175.396 . . 1 . . . . 21 GLU C . 19788 1 2 . 1 1 2 2 GLU CA C 13 56.093 . . 1 . . . . 21 GLU CA . 19788 1 3 . 1 1 2 2 GLU CB C 13 30.586 . . 1 . . . . 21 GLU CB . 19788 1 4 . 1 1 3 3 GLY H H 1 8.224 . . 1 . . . . 22 GLY H . 19788 1 5 . 1 1 3 3 GLY C C 13 172.456 . . 1 . . . . 22 GLY C . 19788 1 6 . 1 1 3 3 GLY CA C 13 44.761 . . 1 . . . . 22 GLY CA . 19788 1 7 . 1 1 3 3 GLY N N 15 108.638 . . 1 . . . . 22 GLY N . 19788 1 8 . 1 1 4 4 VAL H H 1 8.331 . . 1 . . . . 23 VAL H . 19788 1 9 . 1 1 4 4 VAL C C 13 175.821 . . 1 . . . . 23 VAL C . 19788 1 10 . 1 1 4 4 VAL CA C 13 61.01 . . 1 . . . . 23 VAL CA . 19788 1 11 . 1 1 4 4 VAL CB C 13 34.258 . . 1 . . . . 23 VAL CB . 19788 1 12 . 1 1 4 4 VAL N N 15 119.464 . . 1 . . . . 23 VAL N . 19788 1 13 . 1 1 5 5 ASP H H 1 8.868 . . 1 . . . . 24 ASP H . 19788 1 14 . 1 1 5 5 ASP C C 13 177.479 . . 1 . . . . 24 ASP C . 19788 1 15 . 1 1 5 5 ASP CA C 13 53.932 . . 1 . . . . 24 ASP CA . 19788 1 16 . 1 1 5 5 ASP CB C 13 39.331 . . 1 . . . . 24 ASP CB . 19788 1 17 . 1 1 5 5 ASP N N 15 125.687 . . 1 . . . . 24 ASP N . 19788 1 18 . 1 1 6 6 ILE H H 1 8.492 . . 1 . . . . 25 ILE H . 19788 1 19 . 1 1 6 6 ILE C C 13 175.824 . . 1 . . . . 25 ILE C . 19788 1 20 . 1 1 6 6 ILE CA C 13 60.426 . . 1 . . . . 25 ILE CA . 19788 1 21 . 1 1 6 6 ILE CB C 13 37.614 . . 1 . . . . 25 ILE CB . 19788 1 22 . 1 1 6 6 ILE N N 15 121.982 . . 1 . . . . 25 ILE N . 19788 1 23 . 1 1 7 7 SER H H 1 8.959 . . 1 . . . . 26 SER H . 19788 1 24 . 1 1 7 7 SER C C 13 175.438 . . 1 . . . . 26 SER C . 19788 1 25 . 1 1 7 7 SER CA C 13 57.327 . . 1 . . . . 26 SER CA . 19788 1 26 . 1 1 7 7 SER CB C 13 62.496 . . 1 . . . . 26 SER CB . 19788 1 27 . 1 1 7 7 SER N N 15 121.261 . . 1 . . . . 26 SER N . 19788 1 28 . 1 1 8 8 PRO C C 13 178.556 . . 1 . . . . 27 PRO C . 19788 1 29 . 1 1 8 8 PRO CA C 13 65.632 . . 1 . . . . 27 PRO CA . 19788 1 30 . 1 1 8 8 PRO CB C 13 31.884 . . 1 . . . . 27 PRO CB . 19788 1 31 . 1 1 9 9 LYS H H 1 8.389 . . 1 . . . . 28 LYS H . 19788 1 32 . 1 1 9 9 LYS C C 13 175.603 . . 1 . . . . 28 LYS C . 19788 1 33 . 1 1 9 9 LYS CA C 13 56.025 . . 1 . . . . 28 LYS CA . 19788 1 34 . 1 1 9 9 LYS CB C 13 32.124 . . 1 . . . . 28 LYS CB . 19788 1 35 . 1 1 9 9 LYS N N 15 113.826 . . 1 . . . . 28 LYS N . 19788 1 36 . 1 1 10 10 GLN H H 1 7.99 . . 1 . . . . 29 GLN H . 19788 1 37 . 1 1 10 10 GLN C C 13 174.989 . . 1 . . . . 29 GLN C . 19788 1 38 . 1 1 10 10 GLN CA C 13 55.896 . . 1 . . . . 29 GLN CA . 19788 1 39 . 1 1 10 10 GLN CB C 13 25.874 . . 1 . . . . 29 GLN CB . 19788 1 40 . 1 1 10 10 GLN N N 15 117.468 . . 1 . . . . 29 GLN N . 19788 1 41 . 1 1 11 11 ASP H H 1 8.103 . . 1 . . . . 30 ASP H . 19788 1 42 . 1 1 11 11 ASP C C 13 176.636 . . 1 . . . . 30 ASP C . 19788 1 43 . 1 1 11 11 ASP CA C 13 51.328 . . 1 . . . . 30 ASP CA . 19788 1 44 . 1 1 11 11 ASP CB C 13 40.521 . . 1 . . . . 30 ASP CB . 19788 1 45 . 1 1 11 11 ASP N N 15 117.994 . . 1 . . . . 30 ASP N . 19788 1 46 . 1 1 12 12 GLU H H 1 9.631 . . 1 . . . . 31 GLU H . 19788 1 47 . 1 1 12 12 GLU C C 13 177.113 . . 1 . . . . 31 GLU C . 19788 1 48 . 1 1 12 12 GLU CA C 13 57.194 . . 1 . . . . 31 GLU CA . 19788 1 49 . 1 1 12 12 GLU CB C 13 26.456 . . 1 . . . . 31 GLU CB . 19788 1 50 . 1 1 12 12 GLU N N 15 116.231 . . 1 . . . . 31 GLU N . 19788 1 51 . 1 1 13 13 GLY H H 1 8.242 . . 1 . . . . 32 GLY H . 19788 1 52 . 1 1 13 13 GLY C C 13 172.975 . . 1 . . . . 32 GLY C . 19788 1 53 . 1 1 13 13 GLY CA C 13 47.91 . . 1 . . . . 32 GLY CA . 19788 1 54 . 1 1 13 13 GLY N N 15 103.538 . . 1 . . . . 32 GLY N . 19788 1 55 . 1 1 14 14 VAL H H 1 6.294 . . 1 . . . . 33 VAL H . 19788 1 56 . 1 1 14 14 VAL C C 13 172.982 . . 1 . . . . 33 VAL C . 19788 1 57 . 1 1 14 14 VAL CA C 13 61.78 . . 1 . . . . 33 VAL CA . 19788 1 58 . 1 1 14 14 VAL CB C 13 35.165 . . 1 . . . . 33 VAL CB . 19788 1 59 . 1 1 14 14 VAL N N 15 113.661 . . 1 . . . . 33 VAL N . 19788 1 60 . 1 1 15 15 LEU H H 1 8.547 . . 1 . . . . 34 LEU H . 19788 1 61 . 1 1 15 15 LEU C C 13 176.769 . . 1 . . . . 34 LEU C . 19788 1 62 . 1 1 15 15 LEU CA C 13 52.541 . . 1 . . . . 34 LEU CA . 19788 1 63 . 1 1 15 15 LEU CB C 13 44.312 . . 1 . . . . 34 LEU CB . 19788 1 64 . 1 1 15 15 LEU N N 15 126.081 . . 1 . . . . 34 LEU N . 19788 1 65 . 1 1 16 16 LYS H H 1 9.521 . . 1 . . . . 35 LYS H . 19788 1 66 . 1 1 16 16 LYS C C 13 175.394 . . 1 . . . . 35 LYS C . 19788 1 67 . 1 1 16 16 LYS CA C 13 55.538 . . 1 . . . . 35 LYS CA . 19788 1 68 . 1 1 16 16 LYS CB C 13 37.68 . . 1 . . . . 35 LYS CB . 19788 1 69 . 1 1 16 16 LYS N N 15 124.439 . . 1 . . . . 35 LYS N . 19788 1 70 . 1 1 17 17 VAL H H 1 9.218 . . 1 . . . . 36 VAL H . 19788 1 71 . 1 1 17 17 VAL C C 13 175.54 . . 1 . . . . 36 VAL C . 19788 1 72 . 1 1 17 17 VAL CA C 13 61.077 . . 1 . . . . 36 VAL CA . 19788 1 73 . 1 1 17 17 VAL CB C 13 35.472 . . 1 . . . . 36 VAL CB . 19788 1 74 . 1 1 17 17 VAL N N 15 128.757 . . 1 . . . . 36 VAL N . 19788 1 75 . 1 1 18 18 ILE H H 1 8.995 . . 1 . . . . 37 ILE H . 19788 1 76 . 1 1 18 18 ILE C C 13 175.322 . . 1 . . . . 37 ILE C . 19788 1 77 . 1 1 18 18 ILE CA C 13 63.767 . . 1 . . . . 37 ILE CA . 19788 1 78 . 1 1 18 18 ILE CB C 13 37.853 . . 1 . . . . 37 ILE CB . 19788 1 79 . 1 1 18 18 ILE N N 15 128.683 . . 1 . . . . 37 ILE N . 19788 1 80 . 1 1 19 19 LYS H H 1 8.768 . . 1 . . . . 38 LYS H . 19788 1 81 . 1 1 19 19 LYS C C 13 176.315 . . 1 . . . . 38 LYS C . 19788 1 82 . 1 1 19 19 LYS CA C 13 55.213 . . 1 . . . . 38 LYS CA . 19788 1 83 . 1 1 19 19 LYS CB C 13 32.198 . . 1 . . . . 38 LYS CB . 19788 1 84 . 1 1 19 19 LYS N N 15 128.191 . . 1 . . . . 38 LYS N . 19788 1 85 . 1 1 20 20 ARG H H 1 8.016 . . 1 . . . . 39 ARG H . 19788 1 86 . 1 1 20 20 ARG C C 13 174.372 . . 1 . . . . 39 ARG C . 19788 1 87 . 1 1 20 20 ARG CA C 13 55.978 . . 1 . . . . 39 ARG CA . 19788 1 88 . 1 1 20 20 ARG CB C 13 33.81 . . 1 . . . . 39 ARG CB . 19788 1 89 . 1 1 20 20 ARG N N 15 121.562 . . 1 . . . . 39 ARG N . 19788 1 90 . 1 1 21 21 GLU H H 1 8.741 . . 1 . . . . 40 GLU H . 19788 1 91 . 1 1 21 21 GLU C C 13 177.582 . . 1 . . . . 40 GLU C . 19788 1 92 . 1 1 21 21 GLU CA C 13 57.006 . . 1 . . . . 40 GLU CA . 19788 1 93 . 1 1 21 21 GLU CB C 13 30.126 . . 1 . . . . 40 GLU CB . 19788 1 94 . 1 1 21 21 GLU N N 15 126.869 . . 1 . . . . 40 GLU N . 19788 1 95 . 1 1 22 22 GLY H H 1 9.959 . . 1 . . . . 41 GLY H . 19788 1 96 . 1 1 22 22 GLY C C 13 173.531 . . 1 . . . . 41 GLY C . 19788 1 97 . 1 1 22 22 GLY CA C 13 43.989 . . 1 . . . . 41 GLY CA . 19788 1 98 . 1 1 22 22 GLY N N 15 110.182 . . 1 . . . . 41 GLY N . 19788 1 99 . 1 1 23 23 THR H H 1 8.501 . . 1 . . . . 42 THR H . 19788 1 100 . 1 1 23 23 THR C C 13 175.152 . . 1 . . . . 42 THR C . 19788 1 101 . 1 1 23 23 THR CA C 13 61.133 . . 1 . . . . 42 THR CA . 19788 1 102 . 1 1 23 23 THR CB C 13 70.54 . . 1 . . . . 42 THR CB . 19788 1 103 . 1 1 23 23 THR N N 15 110.519 . . 1 . . . . 42 THR N . 19788 1 104 . 1 1 24 24 GLY H H 1 8.184 . . 1 . . . . 43 GLY H . 19788 1 105 . 1 1 24 24 GLY C C 13 173.423 . . 1 . . . . 43 GLY C . 19788 1 106 . 1 1 24 24 GLY CA C 13 44.747 . . 1 . . . . 43 GLY CA . 19788 1 107 . 1 1 24 24 GLY N N 15 108.828 . . 1 . . . . 43 GLY N . 19788 1 108 . 1 1 25 25 THR H H 1 8.306 . . 1 . . . . 44 THR H . 19788 1 109 . 1 1 25 25 THR C C 13 175.122 . . 1 . . . . 44 THR C . 19788 1 110 . 1 1 25 25 THR CA C 13 61.979 . . 1 . . . . 44 THR CA . 19788 1 111 . 1 1 25 25 THR CB C 13 69.827 . . 1 . . . . 44 THR CB . 19788 1 112 . 1 1 25 25 THR N N 15 107.521 . . 1 . . . . 44 THR N . 19788 1 113 . 1 1 26 26 GLU H H 1 8.065 . . 1 . . . . 45 GLU H . 19788 1 114 . 1 1 26 26 GLU C C 13 174.83 . . 1 . . . . 45 GLU C . 19788 1 115 . 1 1 26 26 GLU CA C 13 56.508 . . 1 . . . . 45 GLU CA . 19788 1 116 . 1 1 26 26 GLU CB C 13 31.484 . . 1 . . . . 45 GLU CB . 19788 1 117 . 1 1 26 26 GLU N N 15 121.742 . . 1 . . . . 45 GLU N . 19788 1 118 . 1 1 27 27 MET H H 1 8.07 . . 1 . . . . 46 MET H . 19788 1 119 . 1 1 27 27 MET C C 13 172.771 . . 1 . . . . 46 MET C . 19788 1 120 . 1 1 27 27 MET CA C 13 53.084 . . 1 . . . . 46 MET CA . 19788 1 121 . 1 1 27 27 MET CB C 13 33.566 . . 1 . . . . 46 MET CB . 19788 1 122 . 1 1 27 27 MET N N 15 121.024 . . 1 . . . . 46 MET N . 19788 1 123 . 1 1 28 28 PRO C C 13 174.48 . . 1 . . . . 47 PRO C . 19788 1 124 . 1 1 28 28 PRO CA C 13 61.984 . . 1 . . . . 47 PRO CA . 19788 1 125 . 1 1 28 28 PRO CB C 13 31.536 . . 1 . . . . 47 PRO CB . 19788 1 126 . 1 1 29 29 MET H H 1 8.613 . . 1 . . . . 48 MET H . 19788 1 127 . 1 1 29 29 MET C C 13 176.028 . . 1 . . . . 48 MET C . 19788 1 128 . 1 1 29 29 MET CA C 13 52.678 . . 1 . . . . 48 MET CA . 19788 1 129 . 1 1 29 29 MET CB C 13 35.092 . . 1 . . . . 48 MET CB . 19788 1 130 . 1 1 29 29 MET N N 15 119.621 . . 1 . . . . 48 MET N . 19788 1 131 . 1 1 30 30 ILE H H 1 7.976 . . 1 . . . . 49 ILE H . 19788 1 132 . 1 1 30 30 ILE C C 13 177.159 . . 1 . . . . 49 ILE C . 19788 1 133 . 1 1 30 30 ILE CA C 13 63.776 . . 1 . . . . 49 ILE CA . 19788 1 134 . 1 1 30 30 ILE CB C 13 36.884 . . 1 . . . . 49 ILE CB . 19788 1 135 . 1 1 30 30 ILE N N 15 119.611 . . 1 . . . . 49 ILE N . 19788 1 136 . 1 1 31 31 GLY H H 1 9.061 . . 1 . . . . 50 GLY H . 19788 1 137 . 1 1 31 31 GLY C C 13 173.968 . . 1 . . . . 50 GLY C . 19788 1 138 . 1 1 31 31 GLY CA C 13 44.629 . . 1 . . . . 50 GLY CA . 19788 1 139 . 1 1 31 31 GLY N N 15 116.791 . . 1 . . . . 50 GLY N . 19788 1 140 . 1 1 32 32 ASP H H 1 8.321 . . 1 . . . . 51 ASP H . 19788 1 141 . 1 1 32 32 ASP C C 13 174.707 . . 1 . . . . 51 ASP C . 19788 1 142 . 1 1 32 32 ASP CA C 13 54.951 . . 1 . . . . 51 ASP CA . 19788 1 143 . 1 1 32 32 ASP CB C 13 40.562 . . 1 . . . . 51 ASP CB . 19788 1 144 . 1 1 32 32 ASP N N 15 122.35 . . 1 . . . . 51 ASP N . 19788 1 145 . 1 1 33 33 ARG H H 1 8.55 . . 1 . . . . 52 ARG H . 19788 1 146 . 1 1 33 33 ARG C C 13 175.965 . . 1 . . . . 52 ARG C . 19788 1 147 . 1 1 33 33 ARG CA C 13 55.267 . . 1 . . . . 52 ARG CA . 19788 1 148 . 1 1 33 33 ARG CB C 13 30.065 . . 1 . . . . 52 ARG CB . 19788 1 149 . 1 1 33 33 ARG N N 15 122.711 . . 1 . . . . 52 ARG N . 19788 1 150 . 1 1 34 34 VAL H H 1 8.229 . . 1 . . . . 53 VAL H . 19788 1 151 . 1 1 34 34 VAL C C 13 173.511 . . 1 . . . . 53 VAL C . 19788 1 152 . 1 1 34 34 VAL CA C 13 59.056 . . 1 . . . . 53 VAL CA . 19788 1 153 . 1 1 34 34 VAL CB C 13 33.403 . . 1 . . . . 53 VAL CB . 19788 1 154 . 1 1 34 34 VAL N N 15 119.252 . . 1 . . . . 53 VAL N . 19788 1 155 . 1 1 35 35 PHE H H 1 7.995 . . 1 . . . . 54 PHE H . 19788 1 156 . 1 1 35 35 PHE C C 13 175.691 . . 1 . . . . 54 PHE C . 19788 1 157 . 1 1 35 35 PHE CA C 13 56.607 . . 1 . . . . 54 PHE CA . 19788 1 158 . 1 1 35 35 PHE CB C 13 40.715 . . 1 . . . . 54 PHE CB . 19788 1 159 . 1 1 35 35 PHE N N 15 118.595 . . 1 . . . . 54 PHE N . 19788 1 160 . 1 1 36 36 VAL H H 1 9.47 . . 1 . . . . 55 VAL H . 19788 1 161 . 1 1 36 36 VAL C C 13 175.604 . . 1 . . . . 55 VAL C . 19788 1 162 . 1 1 36 36 VAL CA C 13 58.403 . . 1 . . . . 55 VAL CA . 19788 1 163 . 1 1 36 36 VAL CB C 13 36.119 . . 1 . . . . 55 VAL CB . 19788 1 164 . 1 1 36 36 VAL N N 15 115.4 . . 1 . . . . 55 VAL N . 19788 1 165 . 1 1 37 37 HIS H H 1 8.461 . . 1 . . . . 56 HIS H . 19788 1 166 . 1 1 37 37 HIS C C 13 176.251 . . 1 . . . . 56 HIS C . 19788 1 167 . 1 1 37 37 HIS CA C 13 55.842 . . 1 . . . . 56 HIS CA . 19788 1 168 . 1 1 37 37 HIS CB C 13 36.115 . . 1 . . . . 56 HIS CB . 19788 1 169 . 1 1 37 37 HIS N N 15 116.216 . . 1 . . . . 56 HIS N . 19788 1 170 . 1 1 38 38 TYR H H 1 9.408 . . 1 . . . . 57 TYR H . 19788 1 171 . 1 1 38 38 TYR C C 13 173.497 . . 1 . . . . 57 TYR C . 19788 1 172 . 1 1 38 38 TYR CA C 13 55.838 . . 1 . . . . 57 TYR CA . 19788 1 173 . 1 1 38 38 TYR CB C 13 43.603 . . 1 . . . . 57 TYR CB . 19788 1 174 . 1 1 38 38 TYR N N 15 118.331 . . 1 . . . . 57 TYR N . 19788 1 175 . 1 1 39 39 THR H H 1 8.715 . . 1 . . . . 58 THR H . 19788 1 176 . 1 1 39 39 THR C C 13 171.682 . . 1 . . . . 58 THR C . 19788 1 177 . 1 1 39 39 THR CA C 13 63.465 . . 1 . . . . 58 THR CA . 19788 1 178 . 1 1 39 39 THR CB C 13 71.651 . . 1 . . . . 58 THR CB . 19788 1 179 . 1 1 39 39 THR N N 15 116.711 . . 1 . . . . 58 THR N . 19788 1 180 . 1 1 40 40 GLY H H 1 8.416 . . 1 . . . . 59 GLY H . 19788 1 181 . 1 1 40 40 GLY C C 13 170.795 . . 1 . . . . 59 GLY C . 19788 1 182 . 1 1 40 40 GLY CA C 13 45.218 . . 1 . . . . 59 GLY CA . 19788 1 183 . 1 1 40 40 GLY N N 15 112.628 . . 1 . . . . 59 GLY N . 19788 1 184 . 1 1 41 41 TRP H H 1 9.532 . . 1 . . . . 60 TRP H . 19788 1 185 . 1 1 41 41 TRP C C 13 176.919 . . 1 . . . . 60 TRP C . 19788 1 186 . 1 1 41 41 TRP CA C 13 56.817 . . 1 . . . . 60 TRP CA . 19788 1 187 . 1 1 41 41 TRP CB C 13 33.354 . . 1 . . . . 60 TRP CB . 19788 1 188 . 1 1 41 41 TRP N N 15 123.579 . . 1 . . . . 60 TRP N . 19788 1 189 . 1 1 42 42 LEU H H 1 8.777 . . 1 . . . . 61 LEU H . 19788 1 190 . 1 1 42 42 LEU C C 13 179.935 . . 1 . . . . 61 LEU C . 19788 1 191 . 1 1 42 42 LEU CA C 13 53.982 . . 1 . . . . 61 LEU CA . 19788 1 192 . 1 1 42 42 LEU CB C 13 41.546 . . 1 . . . . 61 LEU CB . 19788 1 193 . 1 1 42 42 LEU N N 15 118.514 . . 1 . . . . 61 LEU N . 19788 1 194 . 1 1 43 43 LEU H H 1 8.897 . . 1 . . . . 62 LEU H . 19788 1 195 . 1 1 43 43 LEU C C 13 177.689 . . 1 . . . . 62 LEU C . 19788 1 196 . 1 1 43 43 LEU CA C 13 57.644 . . 1 . . . . 62 LEU CA . 19788 1 197 . 1 1 43 43 LEU CB C 13 41.283 . . 1 . . . . 62 LEU CB . 19788 1 198 . 1 1 43 43 LEU N N 15 121.59 . . 1 . . . . 62 LEU N . 19788 1 199 . 1 1 44 44 ASP H H 1 7.597 . . 1 . . . . 63 ASP H . 19788 1 200 . 1 1 44 44 ASP C C 13 177.024 . . 1 . . . . 63 ASP C . 19788 1 201 . 1 1 44 44 ASP CA C 13 53.649 . . 1 . . . . 63 ASP CA . 19788 1 202 . 1 1 44 44 ASP CB C 13 39.526 . . 1 . . . . 63 ASP CB . 19788 1 203 . 1 1 44 44 ASP N N 15 114.828 . . 1 . . . . 63 ASP N . 19788 1 204 . 1 1 45 45 GLY H H 1 8.144 . . 1 . . . . 64 GLY H . 19788 1 205 . 1 1 45 45 GLY C C 13 174.849 . . 1 . . . . 64 GLY C . 19788 1 206 . 1 1 45 45 GLY CA C 13 44.687 . . 1 . . . . 64 GLY CA . 19788 1 207 . 1 1 45 45 GLY N N 15 108.203 . . 1 . . . . 64 GLY N . 19788 1 208 . 1 1 46 46 THR H H 1 8.228 . . 1 . . . . 65 THR H . 19788 1 209 . 1 1 46 46 THR C C 13 174.14 . . 1 . . . . 65 THR C . 19788 1 210 . 1 1 46 46 THR CA C 13 64.409 . . 1 . . . . 65 THR CA . 19788 1 211 . 1 1 46 46 THR CB C 13 69.113 . . 1 . . . . 65 THR CB . 19788 1 212 . 1 1 46 46 THR N N 15 118.771 . . 1 . . . . 65 THR N . 19788 1 213 . 1 1 47 47 LYS H H 1 8.995 . . 1 . . . . 66 LYS H . 19788 1 214 . 1 1 47 47 LYS C C 13 176.456 . . 1 . . . . 66 LYS C . 19788 1 215 . 1 1 47 47 LYS CA C 13 56.515 . . 1 . . . . 66 LYS CA . 19788 1 216 . 1 1 47 47 LYS CB C 13 32.514 . . 1 . . . . 66 LYS CB . 19788 1 217 . 1 1 47 47 LYS N N 15 130.614 . . 1 . . . . 66 LYS N . 19788 1 218 . 1 1 48 48 PHE H H 1 8.385 . . 1 . . . . 67 PHE H . 19788 1 219 . 1 1 48 48 PHE C C 13 174.235 . . 1 . . . . 67 PHE C . 19788 1 220 . 1 1 48 48 PHE CA C 13 56.5 . . 1 . . . . 67 PHE CA . 19788 1 221 . 1 1 48 48 PHE CB C 13 41.033 . . 1 . . . . 67 PHE CB . 19788 1 222 . 1 1 48 48 PHE N N 15 123.848 . . 1 . . . . 67 PHE N . 19788 1 223 . 1 1 49 49 ASP H H 1 6.715 . . 1 . . . . 68 ASP H . 19788 1 224 . 1 1 49 49 ASP C C 13 174.214 . . 1 . . . . 68 ASP C . 19788 1 225 . 1 1 49 49 ASP CA C 13 54.294 . . 1 . . . . 68 ASP CA . 19788 1 226 . 1 1 49 49 ASP CB C 13 44.319 . . 1 . . . . 68 ASP CB . 19788 1 227 . 1 1 49 49 ASP N N 15 118.063 . . 1 . . . . 68 ASP N . 19788 1 228 . 1 1 50 50 SER H H 1 8.007 . . 1 . . . . 69 SER H . 19788 1 229 . 1 1 50 50 SER C C 13 174.233 . . 1 . . . . 69 SER C . 19788 1 230 . 1 1 50 50 SER CA C 13 57.023 . . 1 . . . . 69 SER CA . 19788 1 231 . 1 1 50 50 SER CB C 13 64.488 . . 1 . . . . 69 SER CB . 19788 1 232 . 1 1 50 50 SER N N 15 115.514 . . 1 . . . . 69 SER N . 19788 1 233 . 1 1 51 51 SER H H 1 8.184 . . 1 . . . . 70 SER H . 19788 1 234 . 1 1 51 51 SER C C 13 176.667 . . 1 . . . . 70 SER C . 19788 1 235 . 1 1 51 51 SER CA C 13 60.421 . . 1 . . . . 70 SER CA . 19788 1 236 . 1 1 51 51 SER CB C 13 62.356 . . 1 . . . . 70 SER CB . 19788 1 237 . 1 1 51 51 SER N N 15 121.816 . . 1 . . . . 70 SER N . 19788 1 238 . 1 1 52 52 LEU H H 1 7.672 . . 1 . . . . 71 LEU H . 19788 1 239 . 1 1 52 52 LEU C C 13 178.561 . . 1 . . . . 71 LEU C . 19788 1 240 . 1 1 52 52 LEU CA C 13 57.378 . . 1 . . . . 71 LEU CA . 19788 1 241 . 1 1 52 52 LEU CB C 13 40.824 . . 1 . . . . 71 LEU CB . 19788 1 242 . 1 1 52 52 LEU N N 15 122.215 . . 1 . . . . 71 LEU N . 19788 1 243 . 1 1 53 53 ASP H H 1 7.53 . . 1 . . . . 72 ASP H . 19788 1 244 . 1 1 53 53 ASP C C 13 176.421 . . 1 . . . . 72 ASP C . 19788 1 245 . 1 1 53 53 ASP CA C 13 55.002 . . 1 . . . . 72 ASP CA . 19788 1 246 . 1 1 53 53 ASP CB C 13 40.175 . . 1 . . . . 72 ASP CB . 19788 1 247 . 1 1 53 53 ASP N N 15 116.715 . . 1 . . . . 72 ASP N . 19788 1 248 . 1 1 54 54 ARG H H 1 7.549 . . 1 . . . . 73 ARG H . 19788 1 249 . 1 1 54 54 ARG C C 13 176.201 . . 1 . . . . 73 ARG C . 19788 1 250 . 1 1 54 54 ARG CA C 13 55.787 . . 1 . . . . 73 ARG CA . 19788 1 251 . 1 1 54 54 ARG CB C 13 31.62 . . 1 . . . . 73 ARG CB . 19788 1 252 . 1 1 54 54 ARG N N 15 119.136 . . 1 . . . . 73 ARG N . 19788 1 253 . 1 1 55 55 LYS H H 1 8.11 . . 1 . . . . 74 LYS H . 19788 1 254 . 1 1 55 55 LYS C C 13 176.275 . . 1 . . . . 74 LYS C . 19788 1 255 . 1 1 55 55 LYS CA C 13 58.431 . . 1 . . . . 74 LYS CA . 19788 1 256 . 1 1 55 55 LYS CB C 13 31.544 . . 1 . . . . 74 LYS CB . 19788 1 257 . 1 1 55 55 LYS N N 15 117.403 . . 1 . . . . 74 LYS N . 19788 1 258 . 1 1 56 56 ASP H H 1 7.801 . . 1 . . . . 75 ASP H . 19788 1 259 . 1 1 56 56 ASP C C 13 175.224 . . 1 . . . . 75 ASP C . 19788 1 260 . 1 1 56 56 ASP CA C 13 53.141 . . 1 . . . . 75 ASP CA . 19788 1 261 . 1 1 56 56 ASP CB C 13 42.636 . . 1 . . . . 75 ASP CB . 19788 1 262 . 1 1 56 56 ASP N N 15 117.942 . . 1 . . . . 75 ASP N . 19788 1 263 . 1 1 57 57 LYS H H 1 8.106 . . 1 . . . . 76 LYS H . 19788 1 264 . 1 1 57 57 LYS C C 13 176.038 . . 1 . . . . 76 LYS C . 19788 1 265 . 1 1 57 57 LYS CA C 13 57.382 . . 1 . . . . 76 LYS CA . 19788 1 266 . 1 1 57 57 LYS CB C 13 32.441 . . 1 . . . . 76 LYS CB . 19788 1 267 . 1 1 57 57 LYS N N 15 119.822 . . 1 . . . . 76 LYS N . 19788 1 268 . 1 1 58 58 PHE H H 1 8.699 . . 1 . . . . 77 PHE H . 19788 1 269 . 1 1 58 58 PHE C C 13 173.572 . . 1 . . . . 77 PHE C . 19788 1 270 . 1 1 58 58 PHE CA C 13 58.047 . . 1 . . . . 77 PHE CA . 19788 1 271 . 1 1 58 58 PHE CB C 13 40.569 . . 1 . . . . 77 PHE CB . 19788 1 272 . 1 1 58 58 PHE N N 15 124.054 . . 1 . . . . 77 PHE N . 19788 1 273 . 1 1 59 59 SER H H 1 7.473 . . 1 . . . . 78 SER H . 19788 1 274 . 1 1 59 59 SER C C 13 172.346 . . 1 . . . . 78 SER C . 19788 1 275 . 1 1 59 59 SER CA C 13 55.134 . . 1 . . . . 78 SER CA . 19788 1 276 . 1 1 59 59 SER CB C 13 67.056 . . 1 . . . . 78 SER CB . 19788 1 277 . 1 1 59 59 SER N N 15 120.753 . . 1 . . . . 78 SER N . 19788 1 278 . 1 1 60 60 PHE H H 1 7.426 . . 1 . . . . 79 PHE H . 19788 1 279 . 1 1 60 60 PHE C C 13 171.58 . . 1 . . . . 79 PHE C . 19788 1 280 . 1 1 60 60 PHE CA C 13 55.716 . . 1 . . . . 79 PHE CA . 19788 1 281 . 1 1 60 60 PHE CB C 13 39.032 . . 1 . . . . 79 PHE CB . 19788 1 282 . 1 1 60 60 PHE N N 15 114.723 . . 1 . . . . 79 PHE N . 19788 1 283 . 1 1 61 61 ASP H H 1 8.664 . . 1 . . . . 80 ASP H . 19788 1 284 . 1 1 61 61 ASP C C 13 175.299 . . 1 . . . . 80 ASP C . 19788 1 285 . 1 1 61 61 ASP CA C 13 52.616 . . 1 . . . . 80 ASP CA . 19788 1 286 . 1 1 61 61 ASP CB C 13 40.243 . . 1 . . . . 80 ASP CB . 19788 1 287 . 1 1 61 61 ASP N N 15 120.797 . . 1 . . . . 80 ASP N . 19788 1 288 . 1 1 62 62 LEU H H 1 8.89 . . 1 . . . . 81 LEU H . 19788 1 289 . 1 1 62 62 LEU C C 13 177.76 . . 1 . . . . 81 LEU C . 19788 1 290 . 1 1 62 62 LEU CA C 13 56.231 . . 1 . . . . 81 LEU CA . 19788 1 291 . 1 1 62 62 LEU CB C 13 42.381 . . 1 . . . . 81 LEU CB . 19788 1 292 . 1 1 62 62 LEU N N 15 127.897 . . 1 . . . . 81 LEU N . 19788 1 293 . 1 1 63 63 GLY H H 1 9.123 . . 1 . . . . 82 GLY H . 19788 1 294 . 1 1 63 63 GLY C C 13 174.1 . . 1 . . . . 82 GLY C . 19788 1 295 . 1 1 63 63 GLY CA C 13 46.642 . . 1 . . . . 82 GLY CA . 19788 1 296 . 1 1 63 63 GLY N N 15 114.809 . . 1 . . . . 82 GLY N . 19788 1 297 . 1 1 64 64 LYS H H 1 7.852 . . 1 . . . . 83 LYS H . 19788 1 298 . 1 1 64 64 LYS C C 13 176.634 . . 1 . . . . 83 LYS C . 19788 1 299 . 1 1 64 64 LYS CA C 13 54.504 . . 1 . . . . 83 LYS CA . 19788 1 300 . 1 1 64 64 LYS CB C 13 32.903 . . 1 . . . . 83 LYS CB . 19788 1 301 . 1 1 64 64 LYS N N 15 118.007 . . 1 . . . . 83 LYS N . 19788 1 302 . 1 1 65 65 GLY H H 1 8.776 . . 1 . . . . 84 GLY H . 19788 1 303 . 1 1 65 65 GLY C C 13 175.622 . . 1 . . . . 84 GLY C . 19788 1 304 . 1 1 65 65 GLY CA C 13 46.43 . . 1 . . . . 84 GLY CA . 19788 1 305 . 1 1 65 65 GLY N N 15 111.383 . . 1 . . . . 84 GLY N . 19788 1 306 . 1 1 66 66 GLU H H 1 9.083 . . 1 . . . . 85 GLU H . 19788 1 307 . 1 1 66 66 GLU C C 13 175.08 . . 1 . . . . 85 GLU C . 19788 1 308 . 1 1 66 66 GLU CA C 13 57.255 . . 1 . . . . 85 GLU CA . 19788 1 309 . 1 1 66 66 GLU CB C 13 30.317 . . 1 . . . . 85 GLU CB . 19788 1 310 . 1 1 66 66 GLU N N 15 119.255 . . 1 . . . . 85 GLU N . 19788 1 311 . 1 1 67 67 VAL H H 1 6.752 . . 1 . . . . 86 VAL H . 19788 1 312 . 1 1 67 67 VAL C C 13 175.269 . . 1 . . . . 86 VAL C . 19788 1 313 . 1 1 67 67 VAL CA C 13 57.523 . . 1 . . . . 86 VAL CA . 19788 1 314 . 1 1 67 67 VAL CB C 13 35.477 . . 1 . . . . 86 VAL CB . 19788 1 315 . 1 1 67 67 VAL N N 15 109.248 . . 1 . . . . 86 VAL N . 19788 1 316 . 1 1 68 68 ILE H H 1 7.044 . . 1 . . . . 87 ILE H . 19788 1 317 . 1 1 68 68 ILE C C 13 177.129 . . 1 . . . . 87 ILE C . 19788 1 318 . 1 1 68 68 ILE CA C 13 61.902 . . 1 . . . . 87 ILE CA . 19788 1 319 . 1 1 68 68 ILE CB C 13 38.119 . . 1 . . . . 87 ILE CB . 19788 1 320 . 1 1 68 68 ILE N N 15 112.03 . . 1 . . . . 87 ILE N . 19788 1 321 . 1 1 69 69 LYS H H 1 8.699 . . 1 . . . . 88 LYS H . 19788 1 322 . 1 1 69 69 LYS C C 13 179.515 . . 1 . . . . 88 LYS C . 19788 1 323 . 1 1 69 69 LYS CA C 13 59.457 . . 1 . . . . 88 LYS CA . 19788 1 324 . 1 1 69 69 LYS CB C 13 32.899 . . 1 . . . . 88 LYS CB . 19788 1 325 . 1 1 69 69 LYS N N 15 124.054 . . 1 . . . . 88 LYS N . 19788 1 326 . 1 1 70 70 ALA H H 1 8.974 . . 1 . . . . 89 ALA H . 19788 1 327 . 1 1 70 70 ALA C C 13 179.029 . . 1 . . . . 89 ALA C . 19788 1 328 . 1 1 70 70 ALA CA C 13 55.086 . . 1 . . . . 89 ALA CA . 19788 1 329 . 1 1 70 70 ALA CB C 13 20.41 . . 1 . . . . 89 ALA CB . 19788 1 330 . 1 1 70 70 ALA N N 15 114.446 . . 1 . . . . 89 ALA N . 19788 1 331 . 1 1 71 71 TRP H H 1 7.544 . . 1 . . . . 90 TRP H . 19788 1 332 . 1 1 71 71 TRP C C 13 177.341 . . 1 . . . . 90 TRP C . 19788 1 333 . 1 1 71 71 TRP CA C 13 59.785 . . 1 . . . . 90 TRP CA . 19788 1 334 . 1 1 71 71 TRP CB C 13 28.851 . . 1 . . . . 90 TRP CB . 19788 1 335 . 1 1 71 71 TRP N N 15 115.492 . . 1 . . . . 90 TRP N . 19788 1 336 . 1 1 72 72 ASP H H 1 6.887 . . 1 . . . . 91 ASP H . 19788 1 337 . 1 1 72 72 ASP C C 13 178.944 . . 1 . . . . 91 ASP C . 19788 1 338 . 1 1 72 72 ASP CA C 13 57.51 . . 1 . . . . 91 ASP CA . 19788 1 339 . 1 1 72 72 ASP CB C 13 40.381 . . 1 . . . . 91 ASP CB . 19788 1 340 . 1 1 72 72 ASP N N 15 121.156 . . 1 . . . . 91 ASP N . 19788 1 341 . 1 1 73 73 ILE H H 1 7.873 . . 1 . . . . 92 ILE H . 19788 1 342 . 1 1 73 73 ILE C C 13 178.104 . . 1 . . . . 92 ILE C . 19788 1 343 . 1 1 73 73 ILE CA C 13 64.089 . . 1 . . . . 92 ILE CA . 19788 1 344 . 1 1 73 73 ILE CB C 13 39.221 . . 1 . . . . 92 ILE CB . 19788 1 345 . 1 1 73 73 ILE N N 15 116.209 . . 1 . . . . 92 ILE N . 19788 1 346 . 1 1 74 74 ALA H H 1 8.445 . . 1 . . . . 93 ALA H . 19788 1 347 . 1 1 74 74 ALA C C 13 181.863 . . 1 . . . . 93 ALA C . 19788 1 348 . 1 1 74 74 ALA CA C 13 54.89 . . 1 . . . . 93 ALA CA . 19788 1 349 . 1 1 74 74 ALA CB C 13 20.211 . . 1 . . . . 93 ALA CB . 19788 1 350 . 1 1 74 74 ALA N N 15 117.446 . . 1 . . . . 93 ALA N . 19788 1 351 . 1 1 75 75 ILE H H 1 9.043 . . 1 . . . . 94 ILE H . 19788 1 352 . 1 1 75 75 ILE C C 13 175.441 . . 1 . . . . 94 ILE C . 19788 1 353 . 1 1 75 75 ILE CA C 13 65.381 . . 1 . . . . 94 ILE CA . 19788 1 354 . 1 1 75 75 ILE CB C 13 35.73 . . 1 . . . . 94 ILE CB . 19788 1 355 . 1 1 75 75 ILE N N 15 121.784 . . 1 . . . . 94 ILE N . 19788 1 356 . 1 1 76 76 ALA H H 1 6.28 . . 1 . . . . 95 ALA H . 19788 1 357 . 1 1 76 76 ALA C C 13 176.631 . . 1 . . . . 95 ALA C . 19788 1 358 . 1 1 76 76 ALA CA C 13 53.411 . . 1 . . . . 95 ALA CA . 19788 1 359 . 1 1 76 76 ALA CB C 13 18.71 . . 1 . . . . 95 ALA CB . 19788 1 360 . 1 1 76 76 ALA N N 15 116.774 . . 1 . . . . 95 ALA N . 19788 1 361 . 1 1 77 77 THR H H 1 7.328 . . 1 . . . . 96 THR H . 19788 1 362 . 1 1 77 77 THR C C 13 174.175 . . 1 . . . . 96 THR C . 19788 1 363 . 1 1 77 77 THR CA C 13 61.721 . . 1 . . . . 96 THR CA . 19788 1 364 . 1 1 77 77 THR CB C 13 70.852 . . 1 . . . . 96 THR CB . 19788 1 365 . 1 1 77 77 THR N N 15 104.922 . . 1 . . . . 96 THR N . 19788 1 366 . 1 1 78 78 MET H H 1 7.171 . . 1 . . . . 97 MET H . 19788 1 367 . 1 1 78 78 MET C C 13 172.555 . . 1 . . . . 97 MET C . 19788 1 368 . 1 1 78 78 MET CA C 13 56.179 . . 1 . . . . 97 MET CA . 19788 1 369 . 1 1 78 78 MET CB C 13 36.182 . . 1 . . . . 97 MET CB . 19788 1 370 . 1 1 78 78 MET N N 15 122.898 . . 1 . . . . 97 MET N . 19788 1 371 . 1 1 79 79 LYS H H 1 6.85 . . 1 . . . . 98 LYS H . 19788 1 372 . 1 1 79 79 LYS C C 13 177.545 . . 1 . . . . 98 LYS C . 19788 1 373 . 1 1 79 79 LYS CA C 13 54.046 . . 1 . . . . 98 LYS CA . 19788 1 374 . 1 1 79 79 LYS CB C 13 35.159 . . 1 . . . . 98 LYS CB . 19788 1 375 . 1 1 79 79 LYS N N 15 115.131 . . 1 . . . . 98 LYS N . 19788 1 376 . 1 1 80 80 VAL H H 1 8.962 . . 1 . . . . 99 VAL H . 19788 1 377 . 1 1 80 80 VAL C C 13 176.632 . . 1 . . . . 99 VAL C . 19788 1 378 . 1 1 80 80 VAL CA C 13 66.62 . . 1 . . . . 99 VAL CA . 19788 1 379 . 1 1 80 80 VAL CB C 13 31.112 . . 1 . . . . 99 VAL CB . 19788 1 380 . 1 1 80 80 VAL N N 15 120.674 . . 1 . . . . 99 VAL N . 19788 1 381 . 1 1 81 81 GLY H H 1 8.477 . . 1 . . . . 100 GLY H . 19788 1 382 . 1 1 81 81 GLY C C 13 173.857 . . 1 . . . . 100 GLY C . 19788 1 383 . 1 1 81 81 GLY CA C 13 44.643 . . 1 . . . . 100 GLY CA . 19788 1 384 . 1 1 81 81 GLY N N 15 114.551 . . 1 . . . . 100 GLY N . 19788 1 385 . 1 1 82 82 GLU H H 1 8.259 . . 1 . . . . 101 GLU H . 19788 1 386 . 1 1 82 82 GLU C C 13 175.18 . . 1 . . . . 101 GLU C . 19788 1 387 . 1 1 82 82 GLU CA C 13 55.859 . . 1 . . . . 101 GLU CA . 19788 1 388 . 1 1 82 82 GLU CB C 13 33.651 . . 1 . . . . 101 GLU CB . 19788 1 389 . 1 1 82 82 GLU N N 15 124.263 . . 1 . . . . 101 GLU N . 19788 1 390 . 1 1 83 83 VAL H H 1 8.492 . . 1 . . . . 102 VAL H . 19788 1 391 . 1 1 83 83 VAL C C 13 176.938 . . 1 . . . . 102 VAL C . 19788 1 392 . 1 1 83 83 VAL CA C 13 60.553 . . 1 . . . . 102 VAL CA . 19788 1 393 . 1 1 83 83 VAL CB C 13 33.747 . . 1 . . . . 102 VAL CB . 19788 1 394 . 1 1 83 83 VAL N N 15 121.982 . . 1 . . . . 102 VAL N . 19788 1 395 . 1 1 84 84 CYS H H 1 9.548 . . 1 . . . . 103 CYS H . 19788 1 396 . 1 1 84 84 CYS C C 13 171.463 . . 1 . . . . 103 CYS C . 19788 1 397 . 1 1 84 84 CYS CA C 13 54.673 . . 1 . . . . 103 CYS CA . 19788 1 398 . 1 1 84 84 CYS CB C 13 31.937 . . 1 . . . . 103 CYS CB . 19788 1 399 . 1 1 84 84 CYS N N 15 122.581 . . 1 . . . . 103 CYS N . 19788 1 400 . 1 1 85 85 HIS H H 1 9.405 . . 1 . . . . 104 HIS H . 19788 1 401 . 1 1 85 85 HIS C C 13 175.997 . . 1 . . . . 104 HIS C . 19788 1 402 . 1 1 85 85 HIS CA C 13 54.046 . . 1 . . . . 104 HIS CA . 19788 1 403 . 1 1 85 85 HIS CB C 13 33.479 . . 1 . . . . 104 HIS CB . 19788 1 404 . 1 1 85 85 HIS N N 15 120.373 . . 1 . . . . 104 HIS N . 19788 1 405 . 1 1 86 86 ILE H H 1 9.578 . . 1 . . . . 105 ILE H . 19788 1 406 . 1 1 86 86 ILE C C 13 174.802 . . 1 . . . . 105 ILE C . 19788 1 407 . 1 1 86 86 ILE CA C 13 57.725 . . 1 . . . . 105 ILE CA . 19788 1 408 . 1 1 86 86 ILE CB C 13 41.405 . . 1 . . . . 105 ILE CB . 19788 1 409 . 1 1 86 86 ILE N N 15 119.039 . . 1 . . . . 105 ILE N . 19788 1 410 . 1 1 87 87 THR H H 1 8.95 . . 1 . . . . 106 THR H . 19788 1 411 . 1 1 87 87 THR C C 13 175.753 . . 1 . . . . 106 THR C . 19788 1 412 . 1 1 87 87 THR CA C 13 62.673 . . 1 . . . . 106 THR CA . 19788 1 413 . 1 1 87 87 THR CB C 13 69.654 . . 1 . . . . 106 THR CB . 19788 1 414 . 1 1 87 87 THR N N 15 122.05 . . 1 . . . . 106 THR N . 19788 1 415 . 1 1 88 88 CYS H H 1 9.909 . . 1 . . . . 107 CYS H . 19788 1 416 . 1 1 88 88 CYS C C 13 172.835 . . 1 . . . . 107 CYS C . 19788 1 417 . 1 1 88 88 CYS CA C 13 55.194 . . 1 . . . . 107 CYS CA . 19788 1 418 . 1 1 88 88 CYS CB C 13 31.219 . . 1 . . . . 107 CYS CB . 19788 1 419 . 1 1 88 88 CYS N N 15 126.162 . . 1 . . . . 107 CYS N . 19788 1 420 . 1 1 89 89 LYS H H 1 8.699 . . 1 . . . . 108 LYS H . 19788 1 421 . 1 1 89 89 LYS C C 13 175.619 . . 1 . . . . 108 LYS C . 19788 1 422 . 1 1 89 89 LYS CA C 13 55.782 . . 1 . . . . 108 LYS CA . 19788 1 423 . 1 1 89 89 LYS CB C 13 31.677 . . 1 . . . . 108 LYS CB . 19788 1 424 . 1 1 89 89 LYS N N 15 124.054 . . 1 . . . . 108 LYS N . 19788 1 425 . 1 1 90 90 PRO C C 13 179.938 . . 1 . . . . 109 PRO C . 19788 1 426 . 1 1 90 90 PRO CA C 13 65.649 . . 1 . . . . 109 PRO CA . 19788 1 427 . 1 1 90 90 PRO CB C 13 30.717 . . 1 . . . . 109 PRO CB . 19788 1 428 . 1 1 91 91 GLU H H 1 9.578 . . 1 . . . . 110 GLU H . 19788 1 429 . 1 1 91 91 GLU C C 13 176.677 . . 1 . . . . 110 GLU C . 19788 1 430 . 1 1 91 91 GLU CA C 13 59.335 . . 1 . . . . 110 GLU CA . 19788 1 431 . 1 1 91 91 GLU CB C 13 27.996 . . 1 . . . . 110 GLU CB . 19788 1 432 . 1 1 91 91 GLU N N 15 119.039 . . 1 . . . . 110 GLU N . 19788 1 433 . 1 1 92 92 TYR H H 1 8.042 . . 1 . . . . 111 TYR H . 19788 1 434 . 1 1 92 92 TYR C C 13 172.584 . . 1 . . . . 111 TYR C . 19788 1 435 . 1 1 92 92 TYR CA C 13 57.96 . . 1 . . . . 111 TYR CA . 19788 1 436 . 1 1 92 92 TYR CB C 13 38.762 . . 1 . . . . 111 TYR CB . 19788 1 437 . 1 1 92 92 TYR N N 15 117.222 . . 1 . . . . 111 TYR N . 19788 1 438 . 1 1 93 93 ALA H H 1 7.86 . . 1 . . . . 112 ALA H . 19788 1 439 . 1 1 93 93 ALA C C 13 175.79 . . 1 . . . . 112 ALA C . 19788 1 440 . 1 1 93 93 ALA CA C 13 51.392 . . 1 . . . . 112 ALA CA . 19788 1 441 . 1 1 93 93 ALA CB C 13 18.988 . . 1 . . . . 112 ALA CB . 19788 1 442 . 1 1 93 93 ALA N N 15 125.387 . . 1 . . . . 112 ALA N . 19788 1 443 . 1 1 94 94 TYR H H 1 9.096 . . 1 . . . . 113 TYR H . 19788 1 444 . 1 1 94 94 TYR C C 13 176.452 . . 1 . . . . 113 TYR C . 19788 1 445 . 1 1 94 94 TYR CA C 13 59.188 . . 1 . . . . 113 TYR CA . 19788 1 446 . 1 1 94 94 TYR CB C 13 37.613 . . 1 . . . . 113 TYR CB . 19788 1 447 . 1 1 94 94 TYR N N 15 121.766 . . 1 . . . . 113 TYR N . 19788 1 448 . 1 1 95 95 GLY H H 1 8.382 . . 1 . . . . 114 GLY H . 19788 1 449 . 1 1 95 95 GLY C C 13 175.37 . . 1 . . . . 114 GLY C . 19788 1 450 . 1 1 95 95 GLY CA C 13 46.495 . . 1 . . . . 114 GLY CA . 19788 1 451 . 1 1 95 95 GLY N N 15 107.59 . . 1 . . . . 114 GLY N . 19788 1 452 . 1 1 96 96 SER C C 13 175.017 . . 1 . . . . 115 SER C . 19788 1 453 . 1 1 96 96 SER CA C 13 62.432 . . 1 . . . . 115 SER CA . 19788 1 454 . 1 1 96 96 SER CB C 13 60.124 . . 1 . . . . 115 SER CB . 19788 1 455 . 1 1 97 97 ALA H H 1 8.297 . . 1 . . . . 116 ALA H . 19788 1 456 . 1 1 97 97 ALA C C 13 180.571 . . 1 . . . . 116 ALA C . 19788 1 457 . 1 1 97 97 ALA CA C 13 53.655 . . 1 . . . . 116 ALA CA . 19788 1 458 . 1 1 97 97 ALA CB C 13 19.172 . . 1 . . . . 116 ALA CB . 19788 1 459 . 1 1 97 97 ALA N N 15 122.72 . . 1 . . . . 116 ALA N . 19788 1 460 . 1 1 98 98 GLY H H 1 7.103 . . 1 . . . . 117 GLY H . 19788 1 461 . 1 1 98 98 GLY C C 13 171.882 . . 1 . . . . 117 GLY C . 19788 1 462 . 1 1 98 98 GLY CA C 13 44.43 . . 1 . . . . 117 GLY CA . 19788 1 463 . 1 1 98 98 GLY N N 15 101.215 . . 1 . . . . 117 GLY N . 19788 1 464 . 1 1 99 99 SER H H 1 8.266 . . 1 . . . . 118 SER H . 19788 1 465 . 1 1 99 99 SER C C 13 171.187 . . 1 . . . . 118 SER C . 19788 1 466 . 1 1 99 99 SER CA C 13 54.74 . . 1 . . . . 118 SER CA . 19788 1 467 . 1 1 99 99 SER CB C 13 61.518 . . 1 . . . . 118 SER CB . 19788 1 468 . 1 1 99 99 SER N N 15 112.428 . . 1 . . . . 118 SER N . 19788 1 469 . 1 1 101 101 PRO C C 13 177.157 . . 1 . . . . 120 PRO C . 19788 1 470 . 1 1 101 101 PRO CA C 13 63.973 . . 1 . . . . 120 PRO CA . 19788 1 471 . 1 1 101 101 PRO CB C 13 34.327 . . 1 . . . . 120 PRO CB . 19788 1 472 . 1 1 102 102 LYS H H 1 8.016 . . 1 . . . . 121 LYS H . 19788 1 473 . 1 1 102 102 LYS C C 13 175.818 . . 1 . . . . 121 LYS C . 19788 1 474 . 1 1 102 102 LYS CA C 13 59.122 . . 1 . . . . 121 LYS CA . 19788 1 475 . 1 1 102 102 LYS CB C 13 34.117 . . 1 . . . . 121 LYS CB . 19788 1 476 . 1 1 102 102 LYS N N 15 121.562 . . 1 . . . . 121 LYS N . 19788 1 477 . 1 1 103 103 ILE H H 1 7.276 . . 1 . . . . 122 ILE H . 19788 1 478 . 1 1 103 103 ILE C C 13 174.596 . . 1 . . . . 122 ILE C . 19788 1 479 . 1 1 103 103 ILE CA C 13 57.319 . . 1 . . . . 122 ILE CA . 19788 1 480 . 1 1 103 103 ILE CB C 13 38.512 . . 1 . . . . 122 ILE CB . 19788 1 481 . 1 1 103 103 ILE N N 15 116.398 . . 1 . . . . 122 ILE N . 19788 1 482 . 1 1 105 105 PRO C C 13 175.938 . . 1 . . . . 124 PRO C . 19788 1 483 . 1 1 105 105 PRO CA C 13 63.643 . . 1 . . . . 124 PRO CA . 19788 1 484 . 1 1 105 105 PRO CB C 13 33.019 . . 1 . . . . 124 PRO CB . 19788 1 485 . 1 1 106 106 ASN H H 1 8.115 . . 1 . . . . 125 ASN H . 19788 1 486 . 1 1 106 106 ASN C C 13 173.391 . . 1 . . . . 125 ASN C . 19788 1 487 . 1 1 106 106 ASN CA C 13 54.243 . . 1 . . . . 125 ASN CA . 19788 1 488 . 1 1 106 106 ASN CB C 13 37.102 . . 1 . . . . 125 ASN CB . 19788 1 489 . 1 1 106 106 ASN N N 15 117.014 . . 1 . . . . 125 ASN N . 19788 1 490 . 1 1 107 107 ALA H H 1 7.843 . . 1 . . . . 126 ALA H . 19788 1 491 . 1 1 107 107 ALA C C 13 176.92 . . 1 . . . . 126 ALA C . 19788 1 492 . 1 1 107 107 ALA CA C 13 52.492 . . 1 . . . . 126 ALA CA . 19788 1 493 . 1 1 107 107 ALA CB C 13 20.263 . . 1 . . . . 126 ALA CB . 19788 1 494 . 1 1 107 107 ALA N N 15 121.67 . . 1 . . . . 126 ALA N . 19788 1 495 . 1 1 108 108 THR H H 1 8.297 . . 1 . . . . 127 THR H . 19788 1 496 . 1 1 108 108 THR C C 13 173.429 . . 1 . . . . 127 THR C . 19788 1 497 . 1 1 108 108 THR CA C 13 63.267 . . 1 . . . . 127 THR CA . 19788 1 498 . 1 1 108 108 THR CB C 13 69.142 . . 1 . . . . 127 THR CB . 19788 1 499 . 1 1 108 108 THR N N 15 122.72 . . 1 . . . . 127 THR N . 19788 1 500 . 1 1 109 109 LEU H H 1 8.364 . . 1 . . . . 128 LEU H . 19788 1 501 . 1 1 109 109 LEU C C 13 174.977 . . 1 . . . . 128 LEU C . 19788 1 502 . 1 1 109 109 LEU CA C 13 52.743 . . 1 . . . . 128 LEU CA . 19788 1 503 . 1 1 109 109 LEU CB C 13 46.174 . . 1 . . . . 128 LEU CB . 19788 1 504 . 1 1 109 109 LEU N N 15 124.374 . . 1 . . . . 128 LEU N . 19788 1 505 . 1 1 110 110 VAL H H 1 8.816 . . 1 . . . . 129 VAL H . 19788 1 506 . 1 1 110 110 VAL C C 13 175.222 . . 1 . . . . 129 VAL C . 19788 1 507 . 1 1 110 110 VAL CA C 13 60.342 . . 1 . . . . 129 VAL CA . 19788 1 508 . 1 1 110 110 VAL CB C 13 34.375 . . 1 . . . . 129 VAL CB . 19788 1 509 . 1 1 110 110 VAL N N 15 121.755 . . 1 . . . . 129 VAL N . 19788 1 510 . 1 1 111 111 PHE H H 1 9.337 . . 1 . . . . 130 PHE H . 19788 1 511 . 1 1 111 111 PHE C C 13 175.118 . . 1 . . . . 130 PHE C . 19788 1 512 . 1 1 111 111 PHE CA C 13 55.394 . . 1 . . . . 130 PHE CA . 19788 1 513 . 1 1 111 111 PHE CB C 13 43.157 . . 1 . . . . 130 PHE CB . 19788 1 514 . 1 1 111 111 PHE N N 15 119.289 . . 1 . . . . 130 PHE N . 19788 1 515 . 1 1 112 112 GLU H H 1 9.134 . . 1 . . . . 131 GLU H . 19788 1 516 . 1 1 112 112 GLU C C 13 175.081 . . 1 . . . . 131 GLU C . 19788 1 517 . 1 1 112 112 GLU CA C 13 55.327 . . 1 . . . . 131 GLU CA . 19788 1 518 . 1 1 112 112 GLU CB C 13 33.338 . . 1 . . . . 131 GLU CB . 19788 1 519 . 1 1 112 112 GLU N N 15 123.367 . . 1 . . . . 131 GLU N . 19788 1 520 . 1 1 113 113 VAL H H 1 8.945 . . 1 . . . . 132 VAL H . 19788 1 521 . 1 1 113 113 VAL C C 13 172.836 . . 1 . . . . 132 VAL C . 19788 1 522 . 1 1 113 113 VAL CA C 13 61.047 . . 1 . . . . 132 VAL CA . 19788 1 523 . 1 1 113 113 VAL CB C 13 35.172 . . 1 . . . . 132 VAL CB . 19788 1 524 . 1 1 113 113 VAL N N 15 124.685 . . 1 . . . . 132 VAL N . 19788 1 525 . 1 1 114 114 GLU H H 1 8.742 . . 1 . . . . 133 GLU H . 19788 1 526 . 1 1 114 114 GLU C C 13 174.917 . . 1 . . . . 133 GLU C . 19788 1 527 . 1 1 114 114 GLU CA C 13 53.656 . . 1 . . . . 133 GLU CA . 19788 1 528 . 1 1 114 114 GLU CB C 13 32.892 . . 1 . . . . 133 GLU CB . 19788 1 529 . 1 1 114 114 GLU N N 15 127.401 . . 1 . . . . 133 GLU N . 19788 1 530 . 1 1 115 115 LEU H H 1 7.652 . . 1 . . . . 134 LEU H . 19788 1 531 . 1 1 115 115 LEU C C 13 175.899 . . 1 . . . . 134 LEU C . 19788 1 532 . 1 1 115 115 LEU CA C 13 54.052 . . 1 . . . . 134 LEU CA . 19788 1 533 . 1 1 115 115 LEU CB C 13 42.388 . . 1 . . . . 134 LEU CB . 19788 1 534 . 1 1 115 115 LEU N N 15 125.832 . . 1 . . . . 134 LEU N . 19788 1 535 . 1 1 116 116 PHE H H 1 9.073 . . 1 . . . . 135 PHE H . 19788 1 536 . 1 1 116 116 PHE C C 13 175.258 . . 1 . . . . 135 PHE C . 19788 1 537 . 1 1 116 116 PHE CA C 13 60.684 . . 1 . . . . 135 PHE CA . 19788 1 538 . 1 1 116 116 PHE CB C 13 40.759 . . 1 . . . . 135 PHE CB . 19788 1 539 . 1 1 116 116 PHE N N 15 126.239 . . 1 . . . . 135 PHE N . 19788 1 540 . 1 1 117 117 GLU H H 1 7.671 . . 1 . . . . 136 GLU H . 19788 1 541 . 1 1 117 117 GLU C C 13 173.568 . . 1 . . . . 136 GLU C . 19788 1 542 . 1 1 117 117 GLU CA C 13 55.589 . . 1 . . . . 136 GLU CA . 19788 1 543 . 1 1 117 117 GLU CB C 13 32.321 . . 1 . . . . 136 GLU CB . 19788 1 544 . 1 1 117 117 GLU N N 15 113.724 . . 1 . . . . 136 GLU N . 19788 1 545 . 1 1 118 118 PHE H H 1 8.224 . . 1 . . . . 137 PHE H . 19788 1 546 . 1 1 118 118 PHE C C 13 173.224 . . 1 . . . . 137 PHE C . 19788 1 547 . 1 1 118 118 PHE CA C 13 56.1 . . 1 . . . . 137 PHE CA . 19788 1 548 . 1 1 118 118 PHE CB C 13 42.897 . . 1 . . . . 137 PHE CB . 19788 1 549 . 1 1 118 118 PHE N N 15 117.484 . . 1 . . . . 137 PHE N . 19788 1 550 . 1 1 119 119 LYS H H 1 9.194 . . 1 . . . . 138 LYS H . 19788 1 551 . 1 1 119 119 LYS C C 13 175.124 . . 1 . . . . 138 LYS C . 19788 1 552 . 1 1 119 119 LYS CA C 13 55.389 . . 1 . . . . 138 LYS CA . 19788 1 553 . 1 1 119 119 LYS CB C 13 35.41 . . 1 . . . . 138 LYS CB . 19788 1 554 . 1 1 119 119 LYS N N 15 120.523 . . 1 . . . . 138 LYS N . 19788 1 555 . 1 1 120 120 GLY H H 1 8.554 . . 1 . . . . 139 GLY H . 19788 1 556 . 1 1 120 120 GLY C C 13 173.397 . . 1 . . . . 139 GLY C . 19788 1 557 . 1 1 120 120 GLY CA C 13 45.081 . . 1 . . . . 139 GLY CA . 19788 1 558 . 1 1 120 120 GLY N N 15 112.868 . . 1 . . . . 139 GLY N . 19788 1 559 . 1 1 121 121 GLU H H 1 8.063 . . 1 . . . . 140 GLU H . 19788 1 560 . 1 1 121 121 GLU C C 13 181.273 . . 1 . . . . 140 GLU C . 19788 1 561 . 1 1 121 121 GLU CA C 13 57.965 . . 1 . . . . 140 GLU CA . 19788 1 562 . 1 1 121 121 GLU CB C 13 30.905 . . 1 . . . . 140 GLU CB . 19788 1 563 . 1 1 121 121 GLU N N 15 126.42 . . 1 . . . . 140 GLU N . 19788 1 stop_ save_