data_26935 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26935 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for KISS-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-07 _Entry.Accession_date 2016-11-07 _Entry.Last_release_date 2016-11-07 _Entry.Original_release_date 2016-11-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 'Francisco J' Blanco . . . . 26935 2 Alain 'Ibanez de Opakua' . . . . 26935 3 Nekane Merino . . . . 26935 4 Maider Villate . . . . 26935 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26935 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 324 26935 '15N chemical shifts' 103 26935 '1H chemical shifts' 225 26935 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 . . 2017-04-26 . original BMRB . 26935 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26935 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1371/journal.pone.0172507 _Citation.PubMed_ID 28207895 _Citation.Full_citation . _Citation.Title ; The metastasis suppressor Kiss1 is an intrinsically disordered protein slightly more extended than a random coil ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 12 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1932-6203 _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 e0172507 _Citation.Page_last e0172507 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alain 'Ibanez de Opakua' A. . . . 26935 1 2 Nekane Merino N. . . . 26935 1 3 Maider Villate M. . . . 26935 1 4 Tiago Cordeiro T. N. . . 26935 1 5 Georgina Ormaza G. . . . 26935 1 6 Marta Sanchez-Carbayo M. . . . 26935 1 7 Tammo Diercks T. . . . 26935 1 8 Pau Bernado P. . . . 26935 1 9 Francisco Blanco F. J. . . 26935 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26935 _Assembly.ID 1 _Assembly.Name KISS-1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 KISS-1 1 $KISS-1 A . yes 'intrinsically disordered' no no . . . 26935 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_KISS-1 _Entity.Sf_category entity _Entity.Sf_framecode KISS-1 _Entity.Entry_ID 26935 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name KISS-1 _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 ; GEPLEKVASVGNSRPTGQQL ESLGLLAPGEQSLPCTERKP AATARLSRRGTSLSPPPESS GSPQQPGLSAPHSRQIPAPQ GAVLVQREKDLPNYNWNSFG LRFGKREAAPGNHGRSAGRG ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 GLY . 26935 1 2 20 GLU . 26935 1 3 21 PRO . 26935 1 4 22 LEU . 26935 1 5 23 GLU . 26935 1 6 24 LYS . 26935 1 7 25 VAL . 26935 1 8 26 ALA . 26935 1 9 27 SER . 26935 1 10 28 VAL . 26935 1 11 29 GLY . 26935 1 12 30 ASN . 26935 1 13 31 SER . 26935 1 14 32 ARG . 26935 1 15 33 PRO . 26935 1 16 34 THR . 26935 1 17 35 GLY . 26935 1 18 36 GLN . 26935 1 19 37 GLN . 26935 1 20 38 LEU . 26935 1 21 39 GLU . 26935 1 22 40 SER . 26935 1 23 41 LEU . 26935 1 24 42 GLY . 26935 1 25 43 LEU . 26935 1 26 44 LEU . 26935 1 27 45 ALA . 26935 1 28 46 PRO . 26935 1 29 47 GLY . 26935 1 30 48 GLU . 26935 1 31 49 GLN . 26935 1 32 50 SER . 26935 1 33 51 LEU . 26935 1 34 52 PRO . 26935 1 35 53 CYS . 26935 1 36 54 THR . 26935 1 37 55 GLU . 26935 1 38 56 ARG . 26935 1 39 57 LYS . 26935 1 40 58 PRO . 26935 1 41 59 ALA . 26935 1 42 60 ALA . 26935 1 43 61 THR . 26935 1 44 62 ALA . 26935 1 45 63 ARG . 26935 1 46 64 LEU . 26935 1 47 65 SER . 26935 1 48 66 ARG . 26935 1 49 67 ARG . 26935 1 50 68 GLY . 26935 1 51 69 THR . 26935 1 52 70 SER . 26935 1 53 71 LEU . 26935 1 54 72 SER . 26935 1 55 73 PRO . 26935 1 56 74 PRO . 26935 1 57 75 PRO . 26935 1 58 76 GLU . 26935 1 59 77 SER . 26935 1 60 78 SER . 26935 1 61 79 GLY . 26935 1 62 80 SER . 26935 1 63 81 PRO . 26935 1 64 82 GLN . 26935 1 65 83 GLN . 26935 1 66 84 PRO . 26935 1 67 85 GLY . 26935 1 68 86 LEU . 26935 1 69 87 SER . 26935 1 70 88 ALA . 26935 1 71 89 PRO . 26935 1 72 90 HIS . 26935 1 73 91 SER . 26935 1 74 92 ARG . 26935 1 75 93 GLN . 26935 1 76 94 ILE . 26935 1 77 95 PRO . 26935 1 78 96 ALA . 26935 1 79 97 PRO . 26935 1 80 98 GLN . 26935 1 81 99 GLY . 26935 1 82 100 ALA . 26935 1 83 101 VAL . 26935 1 84 102 LEU . 26935 1 85 103 VAL . 26935 1 86 104 GLN . 26935 1 87 105 ARG . 26935 1 88 106 GLU . 26935 1 89 107 LYS . 26935 1 90 108 ASP . 26935 1 91 109 LEU . 26935 1 92 110 PRO . 26935 1 93 111 ASN . 26935 1 94 112 TYR . 26935 1 95 113 ASN . 26935 1 96 114 TRP . 26935 1 97 115 ASN . 26935 1 98 116 SER . 26935 1 99 117 PHE . 26935 1 100 118 GLY . 26935 1 101 119 LEU . 26935 1 102 120 ARG . 26935 1 103 121 PHE . 26935 1 104 122 GLY . 26935 1 105 123 LYS . 26935 1 106 124 ARG . 26935 1 107 125 GLU . 26935 1 108 126 ALA . 26935 1 109 127 ALA . 26935 1 110 128 PRO . 26935 1 111 129 GLY . 26935 1 112 130 ASN . 26935 1 113 131 HIS . 26935 1 114 132 GLY . 26935 1 115 133 ARG . 26935 1 116 134 SER . 26935 1 117 135 ALA . 26935 1 118 136 GLY . 26935 1 119 137 ARG . 26935 1 120 138 GLY . 26935 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26935 1 . GLU 2 2 26935 1 . PRO 3 3 26935 1 . LEU 4 4 26935 1 . GLU 5 5 26935 1 . LYS 6 6 26935 1 . VAL 7 7 26935 1 . ALA 8 8 26935 1 . SER 9 9 26935 1 . VAL 10 10 26935 1 . GLY 11 11 26935 1 . ASN 12 12 26935 1 . SER 13 13 26935 1 . ARG 14 14 26935 1 . PRO 15 15 26935 1 . THR 16 16 26935 1 . GLY 17 17 26935 1 . GLN 18 18 26935 1 . GLN 19 19 26935 1 . LEU 20 20 26935 1 . GLU 21 21 26935 1 . SER 22 22 26935 1 . LEU 23 23 26935 1 . GLY 24 24 26935 1 . LEU 25 25 26935 1 . LEU 26 26 26935 1 . ALA 27 27 26935 1 . PRO 28 28 26935 1 . GLY 29 29 26935 1 . GLU 30 30 26935 1 . GLN 31 31 26935 1 . SER 32 32 26935 1 . LEU 33 33 26935 1 . PRO 34 34 26935 1 . CYS 35 35 26935 1 . THR 36 36 26935 1 . GLU 37 37 26935 1 . ARG 38 38 26935 1 . LYS 39 39 26935 1 . PRO 40 40 26935 1 . ALA 41 41 26935 1 . ALA 42 42 26935 1 . THR 43 43 26935 1 . ALA 44 44 26935 1 . ARG 45 45 26935 1 . LEU 46 46 26935 1 . SER 47 47 26935 1 . ARG 48 48 26935 1 . ARG 49 49 26935 1 . GLY 50 50 26935 1 . THR 51 51 26935 1 . SER 52 52 26935 1 . LEU 53 53 26935 1 . SER 54 54 26935 1 . PRO 55 55 26935 1 . PRO 56 56 26935 1 . PRO 57 57 26935 1 . GLU 58 58 26935 1 . SER 59 59 26935 1 . SER 60 60 26935 1 . GLY 61 61 26935 1 . SER 62 62 26935 1 . PRO 63 63 26935 1 . GLN 64 64 26935 1 . GLN 65 65 26935 1 . PRO 66 66 26935 1 . GLY 67 67 26935 1 . LEU 68 68 26935 1 . SER 69 69 26935 1 . ALA 70 70 26935 1 . PRO 71 71 26935 1 . HIS 72 72 26935 1 . SER 73 73 26935 1 . ARG 74 74 26935 1 . GLN 75 75 26935 1 . ILE 76 76 26935 1 . PRO 77 77 26935 1 . ALA 78 78 26935 1 . PRO 79 79 26935 1 . GLN 80 80 26935 1 . GLY 81 81 26935 1 . ALA 82 82 26935 1 . VAL 83 83 26935 1 . LEU 84 84 26935 1 . VAL 85 85 26935 1 . GLN 86 86 26935 1 . ARG 87 87 26935 1 . GLU 88 88 26935 1 . LYS 89 89 26935 1 . ASP 90 90 26935 1 . LEU 91 91 26935 1 . PRO 92 92 26935 1 . ASN 93 93 26935 1 . TYR 94 94 26935 1 . ASN 95 95 26935 1 . TRP 96 96 26935 1 . ASN 97 97 26935 1 . SER 98 98 26935 1 . PHE 99 99 26935 1 . GLY 100 100 26935 1 . LEU 101 101 26935 1 . ARG 102 102 26935 1 . PHE 103 103 26935 1 . GLY 104 104 26935 1 . LYS 105 105 26935 1 . ARG 106 106 26935 1 . GLU 107 107 26935 1 . ALA 108 108 26935 1 . ALA 109 109 26935 1 . PRO 110 110 26935 1 . GLY 111 111 26935 1 . ASN 112 112 26935 1 . HIS 113 113 26935 1 . GLY 114 114 26935 1 . ARG 115 115 26935 1 . SER 116 116 26935 1 . ALA 117 117 26935 1 . GLY 118 118 26935 1 . ARG 119 119 26935 1 . GLY 120 120 26935 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 26935 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $KISS-1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26935 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 26935 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $KISS-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet11d . . . 26935 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26935 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 KISS-1 '[U-99% 13C; U-99% 15N]' . . 1 $KISS-1 . . 112 . . uM . . . . 26935 1 2 D2O [U-2H] . . . . . . 5 . . % . . . . 26935 1 3 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26935 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 26935 1 5 DSS 'natural abundance' . . . . . . 25 . . uM . . . . 26935 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26935 _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 pH 5.7 . pH 26935 1 pressure 1 . atm 26935 1 temperature 298 . K 26935 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26935 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 26935 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26935 1 stop_ save_ save_MDD_NMR _Software.Sf_category software _Software.Sf_framecode MDD_NMR _Software.Entry_ID 26935 _Software.ID 2 _Software.Name MDD_NMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'V. Orekhov' . . 26935 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26935 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26935 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' . . 26935 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26935 3 'data analysis' 26935 3 'peak picking' 26935 3 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 26935 _Software.ID 4 _Software.Name MARS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Markus Zweckstetter' . . 26935 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26935 4 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 26935 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26935 _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 . . . 26935 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 26935 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26935 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26935 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26935 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26935 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26935 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26935 1 7 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26935 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26935 1 9 '3D HN(COCA)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26935 1 10 '3D HN(CA)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26935 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 26935 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26935 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1 . . . . . 26935 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26935 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 26935 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 26935 1 2 '3D HNCO' . . . 26935 1 3 '3D HN(CA)CO' . . . 26935 1 4 '3D HNCA' . . . 26935 1 5 '3D HN(CO)CA' . . . 26935 1 6 '3D HNCACB' . . . 26935 1 7 '3D HN(CO)CACB' . . . 26935 1 8 '2D 1H-13C HSQC' . . . 26935 1 9 '3D HN(COCA)HA' . . . 26935 1 10 '3D HN(CA)HA' . . . 26935 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO HA H 1 4.419 0.01 . 1 . . . . 21 PRO HA . 26935 1 2 . 1 1 3 3 PRO C C 13 176.936 0.05 . 1 . . . . 21 PRO C . 26935 1 3 . 1 1 3 3 PRO CA C 13 63.266 0.1 . 1 . . . . 21 PRO CA . 26935 1 4 . 1 1 3 3 PRO CB C 13 32.029 0.1 . 1 . . . . 21 PRO CB . 26935 1 5 . 1 1 4 4 LEU H H 1 8.347 0.01 . 1 . . . . 22 LEU H . 26935 1 6 . 1 1 4 4 LEU HA H 1 4.279 0.01 . 1 . . . . 22 LEU HA . 26935 1 7 . 1 1 4 4 LEU C C 13 177.619 0.05 . 1 . . . . 22 LEU C . 26935 1 8 . 1 1 4 4 LEU CA C 13 55.515 0.1 . 1 . . . . 22 LEU CA . 26935 1 9 . 1 1 4 4 LEU CB C 13 42.382 0.1 . 1 . . . . 22 LEU CB . 26935 1 10 . 1 1 4 4 LEU N N 15 122.363 0.05 . 1 . . . . 22 LEU N . 26935 1 11 . 1 1 5 5 GLU H H 1 8.321 0.01 . 1 . . . . 23 GLU H . 26935 1 12 . 1 1 5 5 GLU HA H 1 4.255 0.01 . 1 . . . . 23 GLU HA . 26935 1 13 . 1 1 5 5 GLU C C 13 176.35 0.05 . 1 . . . . 23 GLU C . 26935 1 14 . 1 1 5 5 GLU CA C 13 56.581 0.1 . 1 . . . . 23 GLU CA . 26935 1 15 . 1 1 5 5 GLU CB C 13 30.4 0.1 . 1 . . . . 23 GLU CB . 26935 1 16 . 1 1 5 5 GLU N N 15 121.087 0.05 . 1 . . . . 23 GLU N . 26935 1 17 . 1 1 6 6 LYS H H 1 8.318 0.01 . 1 . . . . 24 LYS H . 26935 1 18 . 1 1 6 6 LYS HA H 1 4.314 0.01 . 1 . . . . 24 LYS HA . 26935 1 19 . 1 1 6 6 LYS C C 13 176.534 0.05 . 1 . . . . 24 LYS C . 26935 1 20 . 1 1 6 6 LYS CA C 13 56.367 0.1 . 1 . . . . 24 LYS CA . 26935 1 21 . 1 1 6 6 LYS CB C 13 33.013 0.1 . 1 . . . . 24 LYS CB . 26935 1 22 . 1 1 6 6 LYS N N 15 122.735 0.05 . 1 . . . . 24 LYS N . 26935 1 23 . 1 1 7 7 VAL H H 1 8.095 0.01 . 1 . . . . 25 VAL H . 26935 1 24 . 1 1 7 7 VAL HA H 1 4.085 0.01 . 1 . . . . 25 VAL HA . 26935 1 25 . 1 1 7 7 VAL C C 13 175.944 0.05 . 1 . . . . 25 VAL C . 26935 1 26 . 1 1 7 7 VAL CA C 13 62.25 0.1 . 1 . . . . 25 VAL CA . 26935 1 27 . 1 1 7 7 VAL CB C 13 32.918 0.1 . 1 . . . . 25 VAL CB . 26935 1 28 . 1 1 7 7 VAL N N 15 121.634 0.05 . 1 . . . . 25 VAL N . 26935 1 29 . 1 1 8 8 ALA H H 1 8.422 0.01 . 1 . . . . 26 ALA H . 26935 1 30 . 1 1 8 8 ALA HA H 1 4.339 0.01 . 1 . . . . 26 ALA HA . 26935 1 31 . 1 1 8 8 ALA C C 13 177.71 0.05 . 1 . . . . 26 ALA C . 26935 1 32 . 1 1 8 8 ALA CA C 13 52.573 0.1 . 1 . . . . 26 ALA CA . 26935 1 33 . 1 1 8 8 ALA CB C 13 19.387 0.1 . 1 . . . . 26 ALA CB . 26935 1 34 . 1 1 8 8 ALA N N 15 128.084 0.05 . 1 . . . . 26 ALA N . 26935 1 35 . 1 1 9 9 SER H H 1 8.28 0.01 . 1 . . . . 27 SER H . 26935 1 36 . 1 1 9 9 SER HA H 1 4.47 0.01 . 1 . . . . 27 SER HA . 26935 1 37 . 1 1 9 9 SER C C 13 174.754 0.05 . 1 . . . . 27 SER C . 26935 1 38 . 1 1 9 9 SER CA C 13 58.138 0.1 . 1 . . . . 27 SER CA . 26935 1 39 . 1 1 9 9 SER CB C 13 63.879 0.1 . 1 . . . . 27 SER CB . 26935 1 40 . 1 1 9 9 SER N N 15 115.598 0.05 . 1 . . . . 27 SER N . 26935 1 41 . 1 1 10 10 VAL H H 1 8.17 0.01 . 1 . . . . 28 VAL H . 26935 1 42 . 1 1 10 10 VAL HA H 1 4.172 0.01 . 1 . . . . 28 VAL HA . 26935 1 43 . 1 1 10 10 VAL C C 13 176.796 0.05 . 1 . . . . 28 VAL C . 26935 1 44 . 1 1 10 10 VAL CA C 13 62.477 0.1 . 1 . . . . 28 VAL CA . 26935 1 45 . 1 1 10 10 VAL CB C 13 32.834 0.1 . 1 . . . . 28 VAL CB . 26935 1 46 . 1 1 10 10 VAL N N 15 121.534 0.05 . 1 . . . . 28 VAL N . 26935 1 47 . 1 1 11 11 GLY H H 1 8.452 0.01 . 1 . . . . 29 GLY H . 26935 1 48 . 1 1 11 11 GLY HA2 H 1 3.96 0.01 . 1 . . . . 29 GLY HA . 26935 1 49 . 1 1 11 11 GLY HA3 H 1 3.96 0.01 . 1 . . . . 29 GLY HA . 26935 1 50 . 1 1 11 11 GLY C C 13 173.998 0.05 . 1 . . . . 29 GLY C . 26935 1 51 . 1 1 11 11 GLY CA C 13 45.415 0.1 . 1 . . . . 29 GLY CA . 26935 1 52 . 1 1 11 11 GLY N N 15 112.033 0.05 . 1 . . . . 29 GLY N . 26935 1 53 . 1 1 12 12 ASN H H 1 8.326 0.01 . 1 . . . . 30 ASN H . 26935 1 54 . 1 1 12 12 ASN HA H 1 4.764 0.01 . 1 . . . . 30 ASN HA . 26935 1 55 . 1 1 12 12 ASN C C 13 175.375 0.05 . 1 . . . . 30 ASN C . 26935 1 56 . 1 1 12 12 ASN CA C 13 53.209 0.1 . 1 . . . . 30 ASN CA . 26935 1 57 . 1 1 12 12 ASN CB C 13 39.11 0.1 . 1 . . . . 30 ASN CB . 26935 1 58 . 1 1 12 12 ASN N N 15 118.916 0.05 . 1 . . . . 30 ASN N . 26935 1 59 . 1 1 13 13 SER H H 1 8.294 0.01 . 1 . . . . 31 SER H . 26935 1 60 . 1 1 13 13 SER HA H 1 4.442 0.01 . 1 . . . . 31 SER HA . 26935 1 61 . 1 1 13 13 SER C C 13 174.132 0.05 . 1 . . . . 31 SER C . 26935 1 62 . 1 1 13 13 SER CA C 13 58.44 0.1 . 1 . . . . 31 SER CA . 26935 1 63 . 1 1 13 13 SER CB C 13 63.854 0.1 . 1 . . . . 31 SER CB . 26935 1 64 . 1 1 13 13 SER N N 15 116.321 0.05 . 1 . . . . 31 SER N . 26935 1 65 . 1 1 14 14 ARG H H 1 8.309 0.01 . 1 . . . . 32 ARG H . 26935 1 66 . 1 1 14 14 ARG HA H 1 4.652 0.01 . 1 . . . . 32 ARG HA . 26935 1 67 . 1 1 14 14 ARG C C 13 174.24 0.05 . 1 . . . . 32 ARG C . 26935 1 68 . 1 1 14 14 ARG CA C 13 54.037 0.1 . 1 . . . . 32 ARG CA . 26935 1 69 . 1 1 14 14 ARG CB C 13 30.338 0.1 . 1 . . . . 32 ARG CB . 26935 1 70 . 1 1 14 14 ARG N N 15 123.658 0.05 . 1 . . . . 32 ARG N . 26935 1 71 . 1 1 15 15 PRO HA H 1 4.513 0.01 . 1 . . . . 33 PRO HA . 26935 1 72 . 1 1 15 15 PRO C C 13 177.2 0.05 . 1 . . . . 33 PRO C . 26935 1 73 . 1 1 15 15 PRO CA C 13 63.237 0.1 . 1 . . . . 33 PRO CA . 26935 1 74 . 1 1 15 15 PRO CB C 13 32.155 0.1 . 1 . . . . 33 PRO CB . 26935 1 75 . 1 1 16 16 THR H H 1 8.304 0.01 . 1 . . . . 34 THR H . 26935 1 76 . 1 1 16 16 THR HA H 1 4.338 0.01 . 1 . . . . 34 THR HA . 26935 1 77 . 1 1 16 16 THR C C 13 175.417 0.05 . 1 . . . . 34 THR C . 26935 1 78 . 1 1 16 16 THR CA C 13 61.936 0.1 . 1 . . . . 34 THR CA . 26935 1 79 . 1 1 16 16 THR CB C 13 70.152 0.1 . 1 . . . . 34 THR CB . 26935 1 80 . 1 1 16 16 THR N N 15 114.076 0.05 . 1 . . . . 34 THR N . 26935 1 81 . 1 1 17 17 GLY H H 1 8.476 0.01 . 1 . . . . 35 GLY H . 26935 1 82 . 1 1 17 17 GLY HA2 H 1 3.973 0.01 . 1 . . . . 35 GLY HA . 26935 1 83 . 1 1 17 17 GLY HA3 H 1 3.973 0.01 . 1 . . . . 35 GLY HA . 26935 1 84 . 1 1 17 17 GLY C C 13 174.456 0.05 . 1 . . . . 35 GLY C . 26935 1 85 . 1 1 17 17 GLY CA C 13 45.637 0.1 . 1 . . . . 35 GLY CA . 26935 1 86 . 1 1 17 17 GLY N N 15 110.651 0.05 . 1 . . . . 35 GLY N . 26935 1 87 . 1 1 18 18 GLN H H 1 8.27 0.01 . 1 . . . . 36 GLN H . 26935 1 88 . 1 1 18 18 GLN HA H 1 4.299 0.01 . 1 . . . . 36 GLN HA . 26935 1 89 . 1 1 18 18 GLN C C 13 176.297 0.05 . 1 . . . . 36 GLN C . 26935 1 90 . 1 1 18 18 GLN CA C 13 56.285 0.1 . 1 . . . . 36 GLN CA . 26935 1 91 . 1 1 18 18 GLN CB C 13 29.574 0.1 . 1 . . . . 36 GLN CB . 26935 1 92 . 1 1 18 18 GLN N N 15 120.171 0.05 . 1 . . . . 36 GLN N . 26935 1 93 . 1 1 19 19 GLN H H 1 8.457 0.01 . 1 . . . . 37 GLN H . 26935 1 94 . 1 1 19 19 GLN HA H 1 4.304 0.01 . 1 . . . . 37 GLN HA . 26935 1 95 . 1 1 19 19 GLN C C 13 176.302 0.05 . 1 . . . . 37 GLN C . 26935 1 96 . 1 1 19 19 GLN CA C 13 56.243 0.1 . 1 . . . . 37 GLN CA . 26935 1 97 . 1 1 19 19 GLN CB C 13 29.203 0.1 . 1 . . . . 37 GLN CB . 26935 1 98 . 1 1 19 19 GLN N N 15 121.702 0.05 . 1 . . . . 37 GLN N . 26935 1 99 . 1 1 20 20 LEU H H 1 8.283 0.01 . 1 . . . . 38 LEU H . 26935 1 100 . 1 1 20 20 LEU HA H 1 4.278 0.01 . 1 . . . . 38 LEU HA . 26935 1 101 . 1 1 20 20 LEU C C 13 177.891 0.05 . 1 . . . . 38 LEU C . 26935 1 102 . 1 1 20 20 LEU CA C 13 55.82 0.1 . 1 . . . . 38 LEU CA . 26935 1 103 . 1 1 20 20 LEU CB C 13 42.317 0.1 . 1 . . . . 38 LEU CB . 26935 1 104 . 1 1 20 20 LEU N N 15 123.087 0.05 . 1 . . . . 38 LEU N . 26935 1 105 . 1 1 21 21 GLU H H 1 8.48 0.01 . 1 . . . . 39 GLU H . 26935 1 106 . 1 1 21 21 GLU HA H 1 4.252 0.01 . 1 . . . . 39 GLU HA . 26935 1 107 . 1 1 21 21 GLU C C 13 177.039 0.05 . 1 . . . . 39 GLU C . 26935 1 108 . 1 1 21 21 GLU CA C 13 57.29 0.1 . 1 . . . . 39 GLU CA . 26935 1 109 . 1 1 21 21 GLU CB C 13 30.167 0.1 . 1 . . . . 39 GLU CB . 26935 1 110 . 1 1 21 21 GLU N N 15 121.319 0.05 . 1 . . . . 39 GLU N . 26935 1 111 . 1 1 22 22 SER H H 1 8.232 0.01 . 1 . . . . 40 SER H . 26935 1 112 . 1 1 22 22 SER HA H 1 4.417 0.01 . 1 . . . . 40 SER HA . 26935 1 113 . 1 1 22 22 SER C C 13 174.877 0.05 . 1 . . . . 40 SER C . 26935 1 114 . 1 1 22 22 SER CA C 13 58.659 0.1 . 1 . . . . 40 SER CA . 26935 1 115 . 1 1 22 22 SER CB C 13 63.641 0.1 . 1 . . . . 40 SER CB . 26935 1 116 . 1 1 22 22 SER N N 15 116.063 0.05 . 1 . . . . 40 SER N . 26935 1 117 . 1 1 23 23 LEU H H 1 8.148 0.01 . 1 . . . . 41 LEU H . 26935 1 118 . 1 1 23 23 LEU HA H 1 4.329 0.01 . 1 . . . . 41 LEU HA . 26935 1 119 . 1 1 23 23 LEU C C 13 178.028 0.05 . 1 . . . . 41 LEU C . 26935 1 120 . 1 1 23 23 LEU CA C 13 55.669 0.1 . 1 . . . . 41 LEU CA . 26935 1 121 . 1 1 23 23 LEU CB C 13 42.401 0.1 . 1 . . . . 41 LEU CB . 26935 1 122 . 1 1 23 23 LEU N N 15 123.609 0.05 . 1 . . . . 41 LEU N . 26935 1 123 . 1 1 24 24 GLY H H 1 8.282 0.01 . 1 . . . . 42 GLY H . 26935 1 124 . 1 1 24 24 GLY HA2 H 1 3.912 0.01 . 1 . . . . 42 GLY HA . 26935 1 125 . 1 1 24 24 GLY HA3 H 1 3.912 0.01 . 1 . . . . 42 GLY HA . 26935 1 126 . 1 1 24 24 GLY C C 13 174.149 0.05 . 1 . . . . 42 GLY C . 26935 1 127 . 1 1 24 24 GLY CA C 13 45.585 0.1 . 1 . . . . 42 GLY CA . 26935 1 128 . 1 1 24 24 GLY N N 15 108.78 0.05 . 1 . . . . 42 GLY N . 26935 1 129 . 1 1 25 25 LEU H H 1 7.956 0.01 . 1 . . . . 43 LEU H . 26935 1 130 . 1 1 25 25 LEU HA H 1 4.332 0.01 . 1 . . . . 43 LEU HA . 26935 1 131 . 1 1 25 25 LEU C C 13 177.187 0.05 . 1 . . . . 43 LEU C . 26935 1 132 . 1 1 25 25 LEU CA C 13 55.149 0.1 . 1 . . . . 43 LEU CA . 26935 1 133 . 1 1 25 25 LEU CB C 13 42.486 0.1 . 1 . . . . 43 LEU CB . 26935 1 134 . 1 1 25 25 LEU N N 15 121.237 0.05 . 1 . . . . 43 LEU N . 26935 1 135 . 1 1 26 26 LEU H H 1 8.092 0.01 . 1 . . . . 44 LEU H . 26935 1 136 . 1 1 26 26 LEU HA H 1 4.359 0.01 . 1 . . . . 44 LEU HA . 26935 1 137 . 1 1 26 26 LEU C C 13 176.637 0.05 . 1 . . . . 44 LEU C . 26935 1 138 . 1 1 26 26 LEU CA C 13 54.709 0.1 . 1 . . . . 44 LEU CA . 26935 1 139 . 1 1 26 26 LEU CB C 13 42.615 0.1 . 1 . . . . 44 LEU CB . 26935 1 140 . 1 1 26 26 LEU N N 15 122.528 0.05 . 1 . . . . 44 LEU N . 26935 1 141 . 1 1 27 27 ALA H H 1 8.322 0.01 . 1 . . . . 45 ALA H . 26935 1 142 . 1 1 27 27 ALA HA H 1 4.573 0.01 . 1 . . . . 45 ALA HA . 26935 1 143 . 1 1 27 27 ALA C C 13 175.511 0.05 . 1 . . . . 45 ALA C . 26935 1 144 . 1 1 27 27 ALA CA C 13 50.443 0.1 . 1 . . . . 45 ALA CA . 26935 1 145 . 1 1 27 27 ALA CB C 13 18.19 0.1 . 1 . . . . 45 ALA CB . 26935 1 146 . 1 1 27 27 ALA N N 15 126.456 0.05 . 1 . . . . 45 ALA N . 26935 1 147 . 1 1 28 28 PRO HA H 1 4.378 0.01 . 1 . . . . 46 PRO HA . 26935 1 148 . 1 1 28 28 PRO C C 13 177.863 0.05 . 1 . . . . 46 PRO C . 26935 1 149 . 1 1 28 28 PRO CA C 13 63.642 0.1 . 1 . . . . 46 PRO CA . 26935 1 150 . 1 1 28 28 PRO CB C 13 32.075 0.1 . 1 . . . . 46 PRO CB . 26935 1 151 . 1 1 29 29 GLY H H 1 8.477 0.01 . 1 . . . . 47 GLY H . 26935 1 152 . 1 1 29 29 GLY HA2 H 1 3.938 0.01 . 1 . . . . 47 GLY HA . 26935 1 153 . 1 1 29 29 GLY HA3 H 1 3.938 0.01 . 1 . . . . 47 GLY HA . 26935 1 154 . 1 1 29 29 GLY C C 13 174.407 0.05 . 1 . . . . 47 GLY C . 26935 1 155 . 1 1 29 29 GLY CA C 13 45.346 0.1 . 1 . . . . 47 GLY CA . 26935 1 156 . 1 1 29 29 GLY N N 15 109.403 0.05 . 1 . . . . 47 GLY N . 26935 1 157 . 1 1 30 30 GLU H H 1 8.19 0.01 . 1 . . . . 48 GLU H . 26935 1 158 . 1 1 30 30 GLU HA H 1 4.287 0.01 . 1 . . . . 48 GLU HA . 26935 1 159 . 1 1 30 30 GLU C C 13 176.706 0.05 . 1 . . . . 48 GLU C . 26935 1 160 . 1 1 30 30 GLU CA C 13 56.71 0.1 . 1 . . . . 48 GLU CA . 26935 1 161 . 1 1 30 30 GLU CB C 13 30.491 0.1 . 1 . . . . 48 GLU CB . 26935 1 162 . 1 1 30 30 GLU N N 15 120.655 0.05 . 1 . . . . 48 GLU N . 26935 1 163 . 1 1 31 31 GLN H H 1 8.44 0.01 . 1 . . . . 49 GLN H . 26935 1 164 . 1 1 31 31 GLN HA H 1 4.36 0.01 . 1 . . . . 49 GLN HA . 26935 1 165 . 1 1 31 31 GLN C C 13 175.887 0.05 . 1 . . . . 49 GLN C . 26935 1 166 . 1 1 31 31 GLN CA C 13 55.873 0.1 . 1 . . . . 49 GLN CA . 26935 1 167 . 1 1 31 31 GLN CB C 13 29.66 0.1 . 1 . . . . 49 GLN CB . 26935 1 168 . 1 1 31 31 GLN N N 15 120.859 0.05 . 1 . . . . 49 GLN N . 26935 1 169 . 1 1 32 32 SER H H 1 8.312 0.01 . 1 . . . . 50 SER H . 26935 1 170 . 1 1 32 32 SER HA H 1 4.444 0.01 . 1 . . . . 50 SER HA . 26935 1 171 . 1 1 32 32 SER C C 13 174.116 0.05 . 1 . . . . 50 SER C . 26935 1 172 . 1 1 32 32 SER CA C 13 58.206 0.1 . 1 . . . . 50 SER CA . 26935 1 173 . 1 1 32 32 SER CB C 13 63.82 0.1 . 1 . . . . 50 SER CB . 26935 1 174 . 1 1 32 32 SER N N 15 117.001 0.05 . 1 . . . . 50 SER N . 26935 1 175 . 1 1 33 33 LEU H H 1 8.226 0.01 . 1 . . . . 51 LEU H . 26935 1 176 . 1 1 33 33 LEU HA H 1 4.635 0.01 . 1 . . . . 51 LEU HA . 26935 1 177 . 1 1 33 33 LEU C C 13 175.349 0.05 . 1 . . . . 51 LEU C . 26935 1 178 . 1 1 33 33 LEU CA C 13 53.189 0.1 . 1 . . . . 51 LEU CA . 26935 1 179 . 1 1 33 33 LEU CB C 13 41.97 0.1 . 1 . . . . 51 LEU CB . 26935 1 180 . 1 1 33 33 LEU N N 15 125.166 0.05 . 1 . . . . 51 LEU N . 26935 1 181 . 1 1 34 34 PRO HA H 1 4.443 0.01 . 1 . . . . 52 PRO HA . 26935 1 182 . 1 1 34 34 PRO C C 13 177.002 0.05 . 1 . . . . 52 PRO C . 26935 1 183 . 1 1 34 34 PRO CA C 13 63.242 0.1 . 1 . . . . 52 PRO CA . 26935 1 184 . 1 1 34 34 PRO CB C 13 32.135 0.1 . 1 . . . . 52 PRO CB . 26935 1 185 . 1 1 35 35 CYS H H 1 8.524 0.01 . 1 . . . . 53 CYS H . 26935 1 186 . 1 1 35 35 CYS HA H 1 4.52 0.01 . 1 . . . . 53 CYS HA . 26935 1 187 . 1 1 35 35 CYS C C 13 175.143 0.05 . 1 . . . . 53 CYS C . 26935 1 188 . 1 1 35 35 CYS CA C 13 58.771 0.1 . 1 . . . . 53 CYS CA . 26935 1 189 . 1 1 35 35 CYS CB C 13 27.887 0.1 . 1 . . . . 53 CYS CB . 26935 1 190 . 1 1 35 35 CYS N N 15 119.605 0.05 . 1 . . . . 53 CYS N . 26935 1 191 . 1 1 36 36 THR H H 1 8.204 0.01 . 1 . . . . 54 THR H . 26935 1 192 . 1 1 36 36 THR HA H 1 4.312 0.01 . 1 . . . . 54 THR HA . 26935 1 193 . 1 1 36 36 THR C C 13 174.554 0.05 . 1 . . . . 54 THR C . 26935 1 194 . 1 1 36 36 THR CA C 13 62.293 0.1 . 1 . . . . 54 THR CA . 26935 1 195 . 1 1 36 36 THR CB C 13 69.622 0.1 . 1 . . . . 54 THR CB . 26935 1 196 . 1 1 36 36 THR N N 15 116.27 0.05 . 1 . . . . 54 THR N . 26935 1 197 . 1 1 37 37 GLU H H 1 8.298 0.01 . 1 . . . . 55 GLU H . 26935 1 198 . 1 1 37 37 GLU HA H 1 4.292 0.01 . 1 . . . . 55 GLU HA . 26935 1 199 . 1 1 37 37 GLU C C 13 176.151 0.05 . 1 . . . . 55 GLU C . 26935 1 200 . 1 1 37 37 GLU CA C 13 56.543 0.1 . 1 . . . . 55 GLU CA . 26935 1 201 . 1 1 37 37 GLU CB C 13 30.624 0.1 . 1 . . . . 55 GLU CB . 26935 1 202 . 1 1 37 37 GLU N N 15 123.169 0.05 . 1 . . . . 55 GLU N . 26935 1 203 . 1 1 38 38 ARG H H 1 8.317 0.01 . 1 . . . . 56 ARG H . 26935 1 204 . 1 1 38 38 ARG HA H 1 4.315 0.01 . 1 . . . . 56 ARG HA . 26935 1 205 . 1 1 38 38 ARG C C 13 175.986 0.05 . 1 . . . . 56 ARG C . 26935 1 206 . 1 1 38 38 ARG CA C 13 55.976 0.1 . 1 . . . . 56 ARG CA . 26935 1 207 . 1 1 38 38 ARG CB C 13 30.821 0.1 . 1 . . . . 56 ARG CB . 26935 1 208 . 1 1 38 38 ARG N N 15 122.786 0.05 . 1 . . . . 56 ARG N . 26935 1 209 . 1 1 39 39 LYS H H 1 8.388 0.01 . 1 . . . . 57 LYS H . 26935 1 210 . 1 1 39 39 LYS HA H 1 4.602 0.01 . 1 . . . . 57 LYS HA . 26935 1 211 . 1 1 39 39 LYS C C 13 174.482 0.05 . 1 . . . . 57 LYS C . 26935 1 212 . 1 1 39 39 LYS CA C 13 54.23 0.1 . 1 . . . . 57 LYS CA . 26935 1 213 . 1 1 39 39 LYS CB C 13 32.512 0.1 . 1 . . . . 57 LYS CB . 26935 1 214 . 1 1 39 39 LYS N N 15 124.271 0.05 . 1 . . . . 57 LYS N . 26935 1 215 . 1 1 40 40 PRO HA H 1 4.39 0.01 . 1 . . . . 58 PRO HA . 26935 1 216 . 1 1 40 40 PRO C C 13 176.767 0.05 . 1 . . . . 58 PRO C . 26935 1 217 . 1 1 40 40 PRO CA C 13 63.135 0.1 . 1 . . . . 58 PRO CA . 26935 1 218 . 1 1 40 40 PRO CB C 13 32.148 0.1 . 1 . . . . 58 PRO CB . 26935 1 219 . 1 1 41 41 ALA H H 1 8.412 0.01 . 1 . . . . 59 ALA H . 26935 1 220 . 1 1 41 41 ALA HA H 1 4.269 0.01 . 1 . . . . 59 ALA HA . 26935 1 221 . 1 1 41 41 ALA C C 13 177.898 0.05 . 1 . . . . 59 ALA C . 26935 1 222 . 1 1 41 41 ALA CA C 13 52.534 0.1 . 1 . . . . 59 ALA CA . 26935 1 223 . 1 1 41 41 ALA CB C 13 19.3 0.1 . 1 . . . . 59 ALA CB . 26935 1 224 . 1 1 41 41 ALA N N 15 124.498 0.05 . 1 . . . . 59 ALA N . 26935 1 225 . 1 1 42 42 ALA H H 1 8.366 0.01 . 1 . . . . 60 ALA H . 26935 1 226 . 1 1 42 42 ALA HA H 1 4.328 0.01 . 1 . . . . 60 ALA HA . 26935 1 227 . 1 1 42 42 ALA C C 13 178.189 0.05 . 1 . . . . 60 ALA C . 26935 1 228 . 1 1 42 42 ALA CA C 13 52.812 0.1 . 1 . . . . 60 ALA CA . 26935 1 229 . 1 1 42 42 ALA CB C 13 19.253 0.1 . 1 . . . . 60 ALA CB . 26935 1 230 . 1 1 42 42 ALA N N 15 123.424 0.05 . 1 . . . . 60 ALA N . 26935 1 231 . 1 1 43 43 THR H H 1 7.992 0.01 . 1 . . . . 61 THR H . 26935 1 232 . 1 1 43 43 THR HA H 1 4.26 0.01 . 1 . . . . 61 THR HA . 26935 1 233 . 1 1 43 43 THR C C 13 174.624 0.05 . 1 . . . . 61 THR C . 26935 1 234 . 1 1 43 43 THR CA C 13 61.968 0.1 . 1 . . . . 61 THR CA . 26935 1 235 . 1 1 43 43 THR CB C 13 69.792 0.1 . 1 . . . . 61 THR CB . 26935 1 236 . 1 1 43 43 THR N N 15 112.687 0.05 . 1 . . . . 61 THR N . 26935 1 237 . 1 1 44 44 ALA H H 1 8.227 0.01 . 1 . . . . 62 ALA H . 26935 1 238 . 1 1 44 44 ALA HA H 1 4.303 0.01 . 1 . . . . 62 ALA HA . 26935 1 239 . 1 1 44 44 ALA C C 13 177.795 0.05 . 1 . . . . 62 ALA C . 26935 1 240 . 1 1 44 44 ALA CA C 13 52.847 0.1 . 1 . . . . 62 ALA CA . 26935 1 241 . 1 1 44 44 ALA CB C 13 19.263 0.1 . 1 . . . . 62 ALA CB . 26935 1 242 . 1 1 44 44 ALA N N 15 126.455 0.05 . 1 . . . . 62 ALA N . 26935 1 243 . 1 1 45 45 ARG H H 1 8.252 0.01 . 1 . . . . 63 ARG H . 26935 1 244 . 1 1 45 45 ARG HA H 1 4.291 0.01 . 1 . . . . 63 ARG HA . 26935 1 245 . 1 1 45 45 ARG C C 13 176.412 0.05 . 1 . . . . 63 ARG C . 26935 1 246 . 1 1 45 45 ARG CA C 13 56.368 0.1 . 1 . . . . 63 ARG CA . 26935 1 247 . 1 1 45 45 ARG CB C 13 30.702 0.1 . 1 . . . . 63 ARG CB . 26935 1 248 . 1 1 45 45 ARG N N 15 120.203 0.05 . 1 . . . . 63 ARG N . 26935 1 249 . 1 1 46 46 LEU H H 1 8.192 0.01 . 1 . . . . 64 LEU H . 26935 1 250 . 1 1 46 46 LEU HA H 1 4.375 0.01 . 1 . . . . 64 LEU HA . 26935 1 251 . 1 1 46 46 LEU C C 13 177.428 0.05 . 1 . . . . 64 LEU C . 26935 1 252 . 1 1 46 46 LEU CA C 13 55.232 0.1 . 1 . . . . 64 LEU CA . 26935 1 253 . 1 1 46 46 LEU CB C 13 42.52 0.1 . 1 . . . . 64 LEU CB . 26935 1 254 . 1 1 46 46 LEU N N 15 123.049 0.05 . 1 . . . . 64 LEU N . 26935 1 255 . 1 1 47 47 SER H H 1 8.279 0.01 . 1 . . . . 65 SER H . 26935 1 256 . 1 1 47 47 SER HA H 1 4.423 0.01 . 1 . . . . 65 SER HA . 26935 1 257 . 1 1 47 47 SER C C 13 174.457 0.05 . 1 . . . . 65 SER C . 26935 1 258 . 1 1 47 47 SER CA C 13 58.393 0.1 . 1 . . . . 65 SER CA . 26935 1 259 . 1 1 47 47 SER CB C 13 63.871 0.1 . 1 . . . . 65 SER CB . 26935 1 260 . 1 1 47 47 SER N N 15 116.769 0.05 . 1 . . . . 65 SER N . 26935 1 261 . 1 1 48 48 ARG H H 1 8.427 0.01 . 1 . . . . 66 ARG H . 26935 1 262 . 1 1 48 48 ARG C C 13 176.267 0.05 . 1 . . . . 66 ARG C . 26935 1 263 . 1 1 48 48 ARG CA C 13 56.033 0.1 . 1 . . . . 66 ARG CA . 26935 1 264 . 1 1 48 48 ARG CB C 13 30.822 0.1 . 1 . . . . 66 ARG CB . 26935 1 265 . 1 1 48 48 ARG N N 15 122.863 0.05 . 1 . . . . 66 ARG N . 26935 1 266 . 1 1 49 49 ARG H H 1 8.385 0.01 . 1 . . . . 67 ARG H . 26935 1 267 . 1 1 49 49 ARG HA H 1 4.349 0.01 . 1 . . . . 67 ARG HA . 26935 1 268 . 1 1 49 49 ARG C C 13 176.835 0.05 . 1 . . . . 67 ARG C . 26935 1 269 . 1 1 49 49 ARG CA C 13 56.335 0.1 . 1 . . . . 67 ARG CA . 26935 1 270 . 1 1 49 49 ARG CB C 13 30.912 0.1 . 1 . . . . 67 ARG CB . 26935 1 271 . 1 1 49 49 ARG N N 15 122.38 0.05 . 1 . . . . 67 ARG N . 26935 1 272 . 1 1 50 50 GLY H H 1 8.475 0.01 . 1 . . . . 68 GLY H . 26935 1 273 . 1 1 50 50 GLY HA2 H 1 4.017 0.01 . 1 . . . . 68 GLY HA . 26935 1 274 . 1 1 50 50 GLY HA3 H 1 4.017 0.01 . 1 . . . . 68 GLY HA . 26935 1 275 . 1 1 50 50 GLY C C 13 174.305 0.05 . 1 . . . . 68 GLY C . 26935 1 276 . 1 1 50 50 GLY CA C 13 45.386 0.1 . 1 . . . . 68 GLY CA . 26935 1 277 . 1 1 50 50 GLY N N 15 110.42 0.05 . 1 . . . . 68 GLY N . 26935 1 278 . 1 1 51 51 THR H H 1 8.083 0.01 . 1 . . . . 69 THR H . 26935 1 279 . 1 1 51 51 THR HA H 1 4.406 0.01 . 1 . . . . 69 THR HA . 26935 1 280 . 1 1 51 51 THR C C 13 174.739 0.05 . 1 . . . . 69 THR C . 26935 1 281 . 1 1 51 51 THR CA C 13 61.667 0.1 . 1 . . . . 69 THR CA . 26935 1 282 . 1 1 51 51 THR CB C 13 69.964 0.1 . 1 . . . . 69 THR CB . 26935 1 283 . 1 1 51 51 THR N N 15 113.339 0.05 . 1 . . . . 69 THR N . 26935 1 284 . 1 1 52 52 SER H H 1 8.372 0.01 . 1 . . . . 70 SER H . 26935 1 285 . 1 1 52 52 SER HA H 1 4.48 0.01 . 1 . . . . 70 SER HA . 26935 1 286 . 1 1 52 52 SER C C 13 174.392 0.05 . 1 . . . . 70 SER C . 26935 1 287 . 1 1 52 52 SER CA C 13 58.434 0.1 . 1 . . . . 70 SER CA . 26935 1 288 . 1 1 52 52 SER CB C 13 63.885 0.1 . 1 . . . . 70 SER CB . 26935 1 289 . 1 1 52 52 SER N N 15 118.15 0.05 . 1 . . . . 70 SER N . 26935 1 290 . 1 1 53 53 LEU H H 1 8.333 0.01 . 1 . . . . 71 LEU H . 26935 1 291 . 1 1 53 53 LEU HA H 1 4.403 0.01 . 1 . . . . 71 LEU HA . 26935 1 292 . 1 1 53 53 LEU C C 13 177.226 0.05 . 1 . . . . 71 LEU C . 26935 1 293 . 1 1 53 53 LEU CA C 13 55.147 0.1 . 1 . . . . 71 LEU CA . 26935 1 294 . 1 1 53 53 LEU CB C 13 42.493 0.1 . 1 . . . . 71 LEU CB . 26935 1 295 . 1 1 53 53 LEU N N 15 124.242 0.05 . 1 . . . . 71 LEU N . 26935 1 296 . 1 1 54 54 SER H H 1 8.264 0.01 . 1 . . . . 72 SER H . 26935 1 297 . 1 1 54 54 SER HA H 1 4.735 0.01 . 1 . . . . 72 SER HA . 26935 1 298 . 1 1 54 54 SER CA C 13 56.476 0.1 . 1 . . . . 72 SER CA . 26935 1 299 . 1 1 54 54 SER CB C 13 63.232 0.1 . 1 . . . . 72 SER CB . 26935 1 300 . 1 1 54 54 SER N N 15 118.095 0.05 . 1 . . . . 72 SER N . 26935 1 301 . 1 1 57 57 PRO HA H 1 4.404 0.01 . 1 . . . . 75 PRO HA . 26935 1 302 . 1 1 57 57 PRO C C 13 177.254 0.05 . 1 . . . . 75 PRO C . 26935 1 303 . 1 1 57 57 PRO CA C 13 63.175 0.1 . 1 . . . . 75 PRO CA . 26935 1 304 . 1 1 57 57 PRO CB C 13 32.075 0.1 . 1 . . . . 75 PRO CB . 26935 1 305 . 1 1 58 58 GLU H H 1 8.637 0.01 . 1 . . . . 76 GLU H . 26935 1 306 . 1 1 58 58 GLU HA H 1 4.267 0.01 . 1 . . . . 76 GLU HA . 26935 1 307 . 1 1 58 58 GLU C C 13 176.843 0.05 . 1 . . . . 76 GLU C . 26935 1 308 . 1 1 58 58 GLU CA C 13 56.919 0.1 . 1 . . . . 76 GLU CA . 26935 1 309 . 1 1 58 58 GLU CB C 13 30.134 0.1 . 1 . . . . 76 GLU CB . 26935 1 310 . 1 1 58 58 GLU N N 15 120.894 0.05 . 1 . . . . 76 GLU N . 26935 1 311 . 1 1 59 59 SER H H 1 8.363 0.01 . 1 . . . . 77 SER H . 26935 1 312 . 1 1 59 59 SER HA H 1 4.495 0.01 . 1 . . . . 77 SER HA . 26935 1 313 . 1 1 59 59 SER C C 13 174.815 0.05 . 1 . . . . 77 SER C . 26935 1 314 . 1 1 59 59 SER CA C 13 58.281 0.1 . 1 . . . . 77 SER CA . 26935 1 315 . 1 1 59 59 SER CB C 13 63.942 0.1 . 1 . . . . 77 SER CB . 26935 1 316 . 1 1 59 59 SER N N 15 116.72 0.05 . 1 . . . . 77 SER N . 26935 1 317 . 1 1 60 60 SER H H 1 8.366 0.01 . 1 . . . . 78 SER H . 26935 1 318 . 1 1 60 60 SER HA H 1 4.474 0.01 . 1 . . . . 78 SER HA . 26935 1 319 . 1 1 60 60 SER C C 13 175.03 0.05 . 1 . . . . 78 SER C . 26935 1 320 . 1 1 60 60 SER CA C 13 58.635 0.1 . 1 . . . . 78 SER CA . 26935 1 321 . 1 1 60 60 SER CB C 13 63.904 0.1 . 1 . . . . 78 SER CB . 26935 1 322 . 1 1 60 60 SER N N 15 117.89 0.05 . 1 . . . . 78 SER N . 26935 1 323 . 1 1 61 61 GLY H H 1 8.387 0.01 . 1 . . . . 79 GLY H . 26935 1 324 . 1 1 61 61 GLY HA2 H 1 3.992 0.01 . 1 . . . . 79 GLY HA . 26935 1 325 . 1 1 61 61 GLY HA3 H 1 3.992 0.01 . 1 . . . . 79 GLY HA . 26935 1 326 . 1 1 61 61 GLY C C 13 173.867 0.05 . 1 . . . . 79 GLY C . 26935 1 327 . 1 1 61 61 GLY CA C 13 45.202 0.1 . 1 . . . . 79 GLY CA . 26935 1 328 . 1 1 61 61 GLY N N 15 110.641 0.05 . 1 . . . . 79 GLY N . 26935 1 329 . 1 1 62 62 SER H H 1 8.183 0.01 . 1 . . . . 80 SER H . 26935 1 330 . 1 1 62 62 SER HA H 1 4.77 0.01 . 1 . . . . 80 SER HA . 26935 1 331 . 1 1 62 62 SER CA C 13 56.479 0.1 . 1 . . . . 80 SER CA . 26935 1 332 . 1 1 62 62 SER CB C 13 63.415 0.1 . 1 . . . . 80 SER CB . 26935 1 333 . 1 1 62 62 SER N N 15 116.971 0.05 . 1 . . . . 80 SER N . 26935 1 334 . 1 1 63 63 PRO HA H 1 4.433 0.01 . 1 . . . . 81 PRO HA . 26935 1 335 . 1 1 63 63 PRO C C 13 177.002 0.05 . 1 . . . . 81 PRO C . 26935 1 336 . 1 1 63 63 PRO CA C 13 63.4 0.1 . 1 . . . . 81 PRO CA . 26935 1 337 . 1 1 63 63 PRO CB C 13 32.108 0.1 . 1 . . . . 81 PRO CB . 26935 1 338 . 1 1 64 64 GLN H H 1 8.435 0.01 . 1 . . . . 82 GLN H . 26935 1 339 . 1 1 64 64 GLN HA H 1 4.285 0.01 . 1 . . . . 82 GLN HA . 26935 1 340 . 1 1 64 64 GLN C C 13 175.851 0.05 . 1 . . . . 82 GLN C . 26935 1 341 . 1 1 64 64 GLN CA C 13 55.825 0.1 . 1 . . . . 82 GLN CA . 26935 1 342 . 1 1 64 64 GLN CB C 13 29.621 0.1 . 1 . . . . 82 GLN CB . 26935 1 343 . 1 1 64 64 GLN N N 15 120.402 0.05 . 1 . . . . 82 GLN N . 26935 1 344 . 1 1 65 65 GLN H H 1 8.374 0.01 . 1 . . . . 83 GLN H . 26935 1 345 . 1 1 65 65 GLN HA H 1 4.62 0.01 . 1 . . . . 83 GLN HA . 26935 1 346 . 1 1 65 65 GLN C C 13 174.013 0.05 . 1 . . . . 83 GLN C . 26935 1 347 . 1 1 65 65 GLN CA C 13 53.702 0.1 . 1 . . . . 83 GLN CA . 26935 1 348 . 1 1 65 65 GLN CB C 13 29.114 0.1 . 1 . . . . 83 GLN CB . 26935 1 349 . 1 1 65 65 GLN N N 15 122.614 0.05 . 1 . . . . 83 GLN N . 26935 1 350 . 1 1 66 66 PRO HA H 1 4.412 0.01 . 1 . . . . 84 PRO HA . 26935 1 351 . 1 1 66 66 PRO C C 13 177.581 0.05 . 1 . . . . 84 PRO C . 26935 1 352 . 1 1 66 66 PRO CA C 13 63.459 0.1 . 1 . . . . 84 PRO CA . 26935 1 353 . 1 1 66 66 PRO CB C 13 32.075 0.1 . 1 . . . . 84 PRO CB . 26935 1 354 . 1 1 67 67 GLY H H 1 8.478 0.01 . 1 . . . . 85 GLY H . 26935 1 355 . 1 1 67 67 GLY HA2 H 1 3.94 0.01 . 1 . . . . 85 GLY HA . 26935 1 356 . 1 1 67 67 GLY HA3 H 1 3.94 0.01 . 1 . . . . 85 GLY HA . 26935 1 357 . 1 1 67 67 GLY C C 13 174.253 0.05 . 1 . . . . 85 GLY C . 26935 1 358 . 1 1 67 67 GLY CA C 13 45.397 0.1 . 1 . . . . 85 GLY CA . 26935 1 359 . 1 1 67 67 GLY N N 15 109.004 0.05 . 1 . . . . 85 GLY N . 26935 1 360 . 1 1 68 68 LEU H H 1 8.039 0.01 . 1 . . . . 86 LEU H . 26935 1 361 . 1 1 68 68 LEU HA H 1 4.388 0.01 . 1 . . . . 86 LEU HA . 26935 1 362 . 1 1 68 68 LEU C C 13 177.504 0.05 . 1 . . . . 86 LEU C . 26935 1 363 . 1 1 68 68 LEU CA C 13 55.23 0.1 . 1 . . . . 86 LEU CA . 26935 1 364 . 1 1 68 68 LEU CB C 13 42.578 0.1 . 1 . . . . 86 LEU CB . 26935 1 365 . 1 1 68 68 LEU N N 15 121.61 0.05 . 1 . . . . 86 LEU N . 26935 1 366 . 1 1 69 69 SER H H 1 8.276 0.01 . 1 . . . . 87 SER H . 26935 1 367 . 1 1 69 69 SER HA H 1 4.437 0.01 . 1 . . . . 87 SER HA . 26935 1 368 . 1 1 69 69 SER C C 13 173.8 0.05 . 1 . . . . 87 SER C . 26935 1 369 . 1 1 69 69 SER CA C 13 58.144 0.1 . 1 . . . . 87 SER CA . 26935 1 370 . 1 1 69 69 SER CB C 13 63.938 0.1 . 1 . . . . 87 SER CB . 26935 1 371 . 1 1 69 69 SER N N 15 116.647 0.05 . 1 . . . . 87 SER N . 26935 1 372 . 1 1 70 70 ALA H H 1 8.234 0.01 . 1 . . . . 88 ALA H . 26935 1 373 . 1 1 70 70 ALA HA H 1 4.587 0.01 . 1 . . . . 88 ALA HA . 26935 1 374 . 1 1 70 70 ALA C C 13 175.583 0.05 . 1 . . . . 88 ALA C . 26935 1 375 . 1 1 70 70 ALA CA C 13 50.709 0.1 . 1 . . . . 88 ALA CA . 26935 1 376 . 1 1 70 70 ALA CB C 13 18.295 0.1 . 1 . . . . 88 ALA CB . 26935 1 377 . 1 1 70 70 ALA N N 15 126.932 0.05 . 1 . . . . 88 ALA N . 26935 1 378 . 1 1 71 71 PRO C C 13 176.977 0.05 . 9 . . . . 89 PRO C . 26935 1 379 . 1 1 71 71 PRO CA C 13 63.238 0.1 . 9 . . . . 89 PRO CA . 26935 1 380 . 1 1 72 72 HIS H H 1 8.394 0.01 . 9 . . . . 90 HIS H . 26935 1 381 . 1 1 72 72 HIS N N 15 118.629 0.05 . 9 . . . . 90 HIS N . 26935 1 382 . 1 1 73 73 SER H H 1 8.204 0.01 . 9 . . . . 91 SER H . 26935 1 383 . 1 1 73 73 SER C C 13 174.423 0.05 . 1 . . . . 91 SER C . 26935 1 384 . 1 1 73 73 SER CA C 13 58.392 0.1 . 1 . . . . 91 SER CA . 26935 1 385 . 1 1 73 73 SER CB C 13 63.856 0.1 . 1 . . . . 91 SER CB . 26935 1 386 . 1 1 73 73 SER N N 15 116.685 0.05 . 9 . . . . 91 SER N . 26935 1 387 . 1 1 74 74 ARG H H 1 8.432 0.01 . 1 . . . . 92 ARG H . 26935 1 388 . 1 1 74 74 ARG HA H 1 4.344 0.01 . 1 . . . . 92 ARG HA . 26935 1 389 . 1 1 74 74 ARG C C 13 176.071 0.05 . 1 . . . . 92 ARG C . 26935 1 390 . 1 1 74 74 ARG CA C 13 56.183 0.1 . 1 . . . . 92 ARG CA . 26935 1 391 . 1 1 74 74 ARG CB C 13 30.881 0.1 . 1 . . . . 92 ARG CB . 26935 1 392 . 1 1 74 74 ARG N N 15 122.89 0.05 . 1 . . . . 92 ARG N . 26935 1 393 . 1 1 75 75 GLN H H 1 8.384 0.01 . 1 . . . . 93 GLN H . 26935 1 394 . 1 1 75 75 GLN HA H 1 4.332 0.01 . 1 . . . . 93 GLN HA . 26935 1 395 . 1 1 75 75 GLN C C 13 175.605 0.05 . 1 . . . . 93 GLN C . 26935 1 396 . 1 1 75 75 GLN CA C 13 55.706 0.1 . 1 . . . . 93 GLN CA . 26935 1 397 . 1 1 75 75 GLN CB C 13 29.532 0.1 . 1 . . . . 93 GLN CB . 26935 1 398 . 1 1 75 75 GLN N N 15 121.997 0.05 . 1 . . . . 93 GLN N . 26935 1 399 . 1 1 76 76 ILE H H 1 8.263 0.01 . 1 . . . . 94 ILE H . 26935 1 400 . 1 1 76 76 ILE HA H 1 4.449 0.01 . 1 . . . . 94 ILE HA . 26935 1 401 . 1 1 76 76 ILE C C 13 174.473 0.05 . 1 . . . . 94 ILE C . 26935 1 402 . 1 1 76 76 ILE CA C 13 58.641 0.1 . 1 . . . . 94 ILE CA . 26935 1 403 . 1 1 76 76 ILE CB C 13 38.692 0.1 . 1 . . . . 94 ILE CB . 26935 1 404 . 1 1 76 76 ILE N N 15 124.484 0.05 . 1 . . . . 94 ILE N . 26935 1 405 . 1 1 77 77 PRO HA H 1 4.383 0.01 . 1 . . . . 95 PRO HA . 26935 1 406 . 1 1 77 77 PRO C C 13 176.155 0.05 . 1 . . . . 95 PRO C . 26935 1 407 . 1 1 77 77 PRO CA C 13 63.008 0.1 . 1 . . . . 95 PRO CA . 26935 1 408 . 1 1 77 77 PRO CB C 13 32.13 0.1 . 1 . . . . 95 PRO CB . 26935 1 409 . 1 1 78 78 ALA H H 1 8.341 0.01 . 1 . . . . 96 ALA H . 26935 1 410 . 1 1 78 78 ALA HA H 1 4.566 0.01 . 1 . . . . 96 ALA HA . 26935 1 411 . 1 1 78 78 ALA C C 13 175.738 0.05 . 1 . . . . 96 ALA C . 26935 1 412 . 1 1 78 78 ALA CA C 13 50.445 0.1 . 1 . . . . 96 ALA CA . 26935 1 413 . 1 1 78 78 ALA CB C 13 18.13 0.1 . 1 . . . . 96 ALA CB . 26935 1 414 . 1 1 78 78 ALA N N 15 125.677 0.05 . 1 . . . . 96 ALA N . 26935 1 415 . 1 1 79 79 PRO HA H 1 4.398 0.01 . 1 . . . . 97 PRO HA . 26935 1 416 . 1 1 79 79 PRO C C 13 177.105 0.05 . 1 . . . . 97 PRO C . 26935 1 417 . 1 1 79 79 PRO CA C 13 63.149 0.1 . 1 . . . . 97 PRO CA . 26935 1 418 . 1 1 79 79 PRO CB C 13 32.021 0.1 . 1 . . . . 97 PRO CB . 26935 1 419 . 1 1 80 80 GLN H H 1 8.502 0.01 . 1 . . . . 98 GLN H . 26935 1 420 . 1 1 80 80 GLN HA H 1 4.298 0.01 . 1 . . . . 98 GLN HA . 26935 1 421 . 1 1 80 80 GLN C C 13 176.629 0.05 . 1 . . . . 98 GLN C . 26935 1 422 . 1 1 80 80 GLN CA C 13 56.092 0.1 . 1 . . . . 98 GLN CA . 26935 1 423 . 1 1 80 80 GLN CB C 13 29.614 0.1 . 1 . . . . 98 GLN CB . 26935 1 424 . 1 1 80 80 GLN N N 15 120.65 0.05 . 1 . . . . 98 GLN N . 26935 1 425 . 1 1 81 81 GLY H H 1 8.411 0.01 . 1 . . . . 99 GLY H . 26935 1 426 . 1 1 81 81 GLY HA2 H 1 3.928 0.01 . 1 . . . . 99 GLY HA . 26935 1 427 . 1 1 81 81 GLY HA3 H 1 3.928 0.01 . 1 . . . . 99 GLY HA . 26935 1 428 . 1 1 81 81 GLY C C 13 173.759 0.05 . 1 . . . . 99 GLY C . 26935 1 429 . 1 1 81 81 GLY CA C 13 45.246 0.1 . 1 . . . . 99 GLY CA . 26935 1 430 . 1 1 81 81 GLY N N 15 110.346 0.05 . 1 . . . . 99 GLY N . 26935 1 431 . 1 1 82 82 ALA H H 1 8.118 0.01 . 1 . . . . 100 ALA H . 26935 1 432 . 1 1 82 82 ALA HA H 1 4.322 0.01 . 1 . . . . 100 ALA HA . 26935 1 433 . 1 1 82 82 ALA C C 13 177.725 0.05 . 1 . . . . 100 ALA C . 26935 1 434 . 1 1 82 82 ALA CA C 13 52.534 0.1 . 1 . . . . 100 ALA CA . 26935 1 435 . 1 1 82 82 ALA CB C 13 19.449 0.1 . 1 . . . . 100 ALA CB . 26935 1 436 . 1 1 82 82 ALA N N 15 123.824 0.05 . 1 . . . . 100 ALA N . 26935 1 437 . 1 1 83 83 VAL H H 1 8.092 0.01 . 1 . . . . 101 VAL H . 26935 1 438 . 1 1 83 83 VAL HA H 1 4.054 0.01 . 1 . . . . 101 VAL HA . 26935 1 439 . 1 1 83 83 VAL C C 13 176.061 0.05 . 1 . . . . 101 VAL C . 26935 1 440 . 1 1 83 83 VAL CA C 13 62.406 0.1 . 1 . . . . 101 VAL CA . 26935 1 441 . 1 1 83 83 VAL CB C 13 32.775 0.1 . 1 . . . . 101 VAL CB . 26935 1 442 . 1 1 83 83 VAL N N 15 119.729 0.05 . 1 . . . . 101 VAL N . 26935 1 443 . 1 1 84 84 LEU H H 1 8.293 0.01 . 1 . . . . 102 LEU H . 26935 1 444 . 1 1 84 84 LEU HA H 1 4.382 0.01 . 1 . . . . 102 LEU HA . 26935 1 445 . 1 1 84 84 LEU C C 13 177.054 0.05 . 1 . . . . 102 LEU C . 26935 1 446 . 1 1 84 84 LEU CA C 13 55.119 0.1 . 1 . . . . 102 LEU CA . 26935 1 447 . 1 1 84 84 LEU CB C 13 42.429 0.1 . 1 . . . . 102 LEU CB . 26935 1 448 . 1 1 84 84 LEU N N 15 126.517 0.05 . 1 . . . . 102 LEU N . 26935 1 449 . 1 1 85 85 VAL H H 1 8.106 0.01 . 1 . . . . 103 VAL H . 26935 1 450 . 1 1 85 85 VAL HA H 1 4.067 0.01 . 1 . . . . 103 VAL HA . 26935 1 451 . 1 1 85 85 VAL C C 13 175.982 0.05 . 1 . . . . 103 VAL C . 26935 1 452 . 1 1 85 85 VAL CA C 13 62.33 0.1 . 1 . . . . 103 VAL CA . 26935 1 453 . 1 1 85 85 VAL CB C 13 32.861 0.1 . 1 . . . . 103 VAL CB . 26935 1 454 . 1 1 85 85 VAL N N 15 122.067 0.05 . 1 . . . . 103 VAL N . 26935 1 455 . 1 1 86 86 GLN H H 1 8.46 0.01 . 1 . . . . 104 GLN H . 26935 1 456 . 1 1 86 86 GLN HA H 1 4.321 0.01 . 1 . . . . 104 GLN HA . 26935 1 457 . 1 1 86 86 GLN C C 13 175.814 0.05 . 1 . . . . 104 GLN C . 26935 1 458 . 1 1 86 86 GLN CA C 13 55.874 0.1 . 1 . . . . 104 GLN CA . 26935 1 459 . 1 1 86 86 GLN CB C 13 29.563 0.1 . 1 . . . . 104 GLN CB . 26935 1 460 . 1 1 86 86 GLN N N 15 124.745 0.05 . 1 . . . . 104 GLN N . 26935 1 461 . 1 1 87 87 ARG H H 1 8.433 0.01 . 1 . . . . 105 ARG H . 26935 1 462 . 1 1 87 87 ARG HA H 1 4.309 0.01 . 1 . . . . 105 ARG HA . 26935 1 463 . 1 1 87 87 ARG C C 13 176.538 0.05 . 1 . . . . 105 ARG C . 26935 1 464 . 1 1 87 87 ARG CA C 13 56.239 0.1 . 1 . . . . 105 ARG CA . 26935 1 465 . 1 1 87 87 ARG CB C 13 31.057 0.1 . 1 . . . . 105 ARG CB . 26935 1 466 . 1 1 87 87 ARG N N 15 122.947 0.05 . 1 . . . . 105 ARG N . 26935 1 467 . 1 1 88 88 GLU H H 1 8.551 0.01 . 1 . . . . 106 GLU H . 26935 1 468 . 1 1 88 88 GLU HA H 1 4.184 0.01 . 1 . . . . 106 GLU HA . 26935 1 469 . 1 1 88 88 GLU C C 13 176.769 0.05 . 1 . . . . 106 GLU C . 26935 1 470 . 1 1 88 88 GLU CA C 13 57.29 0.1 . 1 . . . . 106 GLU CA . 26935 1 471 . 1 1 88 88 GLU CB C 13 30.079 0.1 . 1 . . . . 106 GLU CB . 26935 1 472 . 1 1 88 88 GLU N N 15 122.116 0.05 . 1 . . . . 106 GLU N . 26935 1 473 . 1 1 89 89 LYS H H 1 8.207 0.01 . 1 . . . . 107 LYS H . 26935 1 474 . 1 1 89 89 LYS HA H 1 4.146 0.01 . 1 . . . . 107 LYS HA . 26935 1 475 . 1 1 89 89 LYS C C 13 176.193 0.05 . 1 . . . . 107 LYS C . 26935 1 476 . 1 1 89 89 LYS CA C 13 56.669 0.1 . 1 . . . . 107 LYS CA . 26935 1 477 . 1 1 89 89 LYS CB C 13 33.015 0.1 . 1 . . . . 107 LYS CB . 26935 1 478 . 1 1 89 89 LYS N N 15 120.423 0.05 . 1 . . . . 107 LYS N . 26935 1 479 . 1 1 90 90 ASP H H 1 8.169 0.01 . 1 . . . . 108 ASP H . 26935 1 480 . 1 1 90 90 ASP HA H 1 4.59 0.01 . 1 . . . . 108 ASP HA . 26935 1 481 . 1 1 90 90 ASP C C 13 175.808 0.05 . 1 . . . . 108 ASP C . 26935 1 482 . 1 1 90 90 ASP CA C 13 54.398 0.1 . 1 . . . . 108 ASP CA . 26935 1 483 . 1 1 90 90 ASP CB C 13 41.246 0.1 . 1 . . . . 108 ASP CB . 26935 1 484 . 1 1 90 90 ASP N N 15 120.302 0.05 . 1 . . . . 108 ASP N . 26935 1 485 . 1 1 91 91 LEU H H 1 7.976 0.01 . 1 . . . . 109 LEU H . 26935 1 486 . 1 1 91 91 LEU HA H 1 4.569 0.01 . 1 . . . . 109 LEU HA . 26935 1 487 . 1 1 91 91 LEU C C 13 175.369 0.05 . 1 . . . . 109 LEU C . 26935 1 488 . 1 1 91 91 LEU CA C 13 53.267 0.1 . 1 . . . . 109 LEU CA . 26935 1 489 . 1 1 91 91 LEU CB C 13 41.871 0.1 . 1 . . . . 109 LEU CB . 26935 1 490 . 1 1 91 91 LEU N N 15 123.078 0.05 . 1 . . . . 109 LEU N . 26935 1 491 . 1 1 92 92 PRO HA H 1 4.311 0.01 . 1 . . . . 110 PRO HA . 26935 1 492 . 1 1 92 92 PRO C C 13 176.504 0.05 . 1 . . . . 110 PRO C . 26935 1 493 . 1 1 92 92 PRO CA C 13 63.349 0.1 . 1 . . . . 110 PRO CA . 26935 1 494 . 1 1 92 92 PRO CB C 13 31.94 0.1 . 1 . . . . 110 PRO CB . 26935 1 495 . 1 1 93 93 ASN H H 1 8.286 0.01 . 1 . . . . 111 ASN H . 26935 1 496 . 1 1 93 93 ASN HA H 1 4.561 0.01 . 1 . . . . 111 ASN HA . 26935 1 497 . 1 1 93 93 ASN C C 13 174.989 0.05 . 1 . . . . 111 ASN C . 26935 1 498 . 1 1 93 93 ASN CA C 13 53.069 0.1 . 1 . . . . 111 ASN CA . 26935 1 499 . 1 1 93 93 ASN CB C 13 38.686 0.1 . 1 . . . . 111 ASN CB . 26935 1 500 . 1 1 93 93 ASN N N 15 117.615 0.05 . 1 . . . . 111 ASN N . 26935 1 501 . 1 1 94 94 TYR H H 1 7.961 0.01 . 1 . . . . 112 TYR H . 26935 1 502 . 1 1 94 94 TYR HA H 1 4.405 0.01 . 1 . . . . 112 TYR HA . 26935 1 503 . 1 1 94 94 TYR C C 13 175.518 0.05 . 1 . . . . 112 TYR C . 26935 1 504 . 1 1 94 94 TYR CA C 13 58.109 0.1 . 1 . . . . 112 TYR CA . 26935 1 505 . 1 1 94 94 TYR CB C 13 38.703 0.1 . 1 . . . . 112 TYR CB . 26935 1 506 . 1 1 94 94 TYR N N 15 120.808 0.05 . 1 . . . . 112 TYR N . 26935 1 507 . 1 1 95 95 ASN H H 1 8.203 0.01 . 1 . . . . 113 ASN H . 26935 1 508 . 1 1 95 95 ASN HA H 1 4.63 0.01 . 1 . . . . 113 ASN HA . 26935 1 509 . 1 1 95 95 ASN C C 13 175.119 0.05 . 1 . . . . 113 ASN C . 26935 1 510 . 1 1 95 95 ASN CA C 13 53.068 0.1 . 1 . . . . 113 ASN CA . 26935 1 511 . 1 1 95 95 ASN CB C 13 38.684 0.1 . 1 . . . . 113 ASN CB . 26935 1 512 . 1 1 95 95 ASN N N 15 120.208 0.05 . 1 . . . . 113 ASN N . 26935 1 513 . 1 1 96 96 TRP H H 1 7.985 0.01 . 1 . . . . 114 TRP H . 26935 1 514 . 1 1 96 96 TRP HA H 1 4.521 0.01 . 1 . . . . 114 TRP HA . 26935 1 515 . 1 1 96 96 TRP C C 13 176.326 0.05 . 1 . . . . 114 TRP C . 26935 1 516 . 1 1 96 96 TRP CA C 13 57.948 0.1 . 1 . . . . 114 TRP CA . 26935 1 517 . 1 1 96 96 TRP CB C 13 29.42 0.1 . 1 . . . . 114 TRP CB . 26935 1 518 . 1 1 96 96 TRP N N 15 121.847 0.05 . 1 . . . . 114 TRP N . 26935 1 519 . 1 1 97 97 ASN H H 1 8.119 0.01 . 1 . . . . 115 ASN H . 26935 1 520 . 1 1 97 97 ASN HA H 1 4.562 0.01 . 1 . . . . 115 ASN HA . 26935 1 521 . 1 1 97 97 ASN C C 13 175.503 0.05 . 1 . . . . 115 ASN C . 26935 1 522 . 1 1 97 97 ASN CA C 13 53.427 0.1 . 1 . . . . 115 ASN CA . 26935 1 523 . 1 1 97 97 ASN CB C 13 38.661 0.1 . 1 . . . . 115 ASN CB . 26935 1 524 . 1 1 97 97 ASN N N 15 119.239 0.05 . 1 . . . . 115 ASN N . 26935 1 525 . 1 1 98 98 SER H H 1 7.932 0.01 . 1 . . . . 116 SER H . 26935 1 526 . 1 1 98 98 SER HA H 1 4.223 0.01 . 1 . . . . 116 SER HA . 26935 1 527 . 1 1 98 98 SER C C 13 174.616 0.05 . 1 . . . . 116 SER C . 26935 1 528 . 1 1 98 98 SER CA C 13 58.989 0.1 . 1 . . . . 116 SER CA . 26935 1 529 . 1 1 98 98 SER CB C 13 63.526 0.1 . 1 . . . . 116 SER CB . 26935 1 530 . 1 1 98 98 SER N N 15 115.355 0.05 . 1 . . . . 116 SER N . 26935 1 531 . 1 1 99 99 PHE H H 1 8.079 0.01 . 1 . . . . 117 PHE H . 26935 1 532 . 1 1 99 99 PHE HA H 1 4.524 0.01 . 1 . . . . 117 PHE HA . 26935 1 533 . 1 1 99 99 PHE C C 13 176.491 0.05 . 1 . . . . 117 PHE C . 26935 1 534 . 1 1 99 99 PHE CA C 13 58.513 0.1 . 1 . . . . 117 PHE CA . 26935 1 535 . 1 1 99 99 PHE CB C 13 39.349 0.1 . 1 . . . . 117 PHE CB . 26935 1 536 . 1 1 99 99 PHE N N 15 121.378 0.05 . 1 . . . . 117 PHE N . 26935 1 537 . 1 1 100 100 GLY H H 1 8.197 0.01 . 1 . . . . 118 GLY H . 26935 1 538 . 1 1 100 100 GLY HA2 H 1 3.842 0.01 . 1 . . . . 118 GLY HA . 26935 1 539 . 1 1 100 100 GLY HA3 H 1 3.842 0.01 . 1 . . . . 118 GLY HA . 26935 1 540 . 1 1 100 100 GLY C C 13 174.249 0.05 . 1 . . . . 118 GLY C . 26935 1 541 . 1 1 100 100 GLY CA C 13 45.605 0.1 . 1 . . . . 118 GLY CA . 26935 1 542 . 1 1 100 100 GLY N N 15 109.289 0.05 . 1 . . . . 118 GLY N . 26935 1 543 . 1 1 101 101 LEU H H 1 7.903 0.01 . 1 . . . . 119 LEU H . 26935 1 544 . 1 1 101 101 LEU HA H 1 4.289 0.01 . 1 . . . . 119 LEU HA . 26935 1 545 . 1 1 101 101 LEU C C 13 177.55 0.05 . 1 . . . . 119 LEU C . 26935 1 546 . 1 1 101 101 LEU CA C 13 55.36 0.1 . 1 . . . . 119 LEU CA . 26935 1 547 . 1 1 101 101 LEU CB C 13 42.405 0.1 . 1 . . . . 119 LEU CB . 26935 1 548 . 1 1 101 101 LEU N N 15 121.287 0.05 . 1 . . . . 119 LEU N . 26935 1 549 . 1 1 102 102 ARG H H 1 8.156 0.01 . 1 . . . . 120 ARG H . 26935 1 550 . 1 1 102 102 ARG HA H 1 4.188 0.01 . 1 . . . . 120 ARG HA . 26935 1 551 . 1 1 102 102 ARG C C 13 176.094 0.05 . 1 . . . . 120 ARG C . 26935 1 552 . 1 1 102 102 ARG CA C 13 56.359 0.1 . 1 . . . . 120 ARG CA . 26935 1 553 . 1 1 102 102 ARG CB C 13 30.69 0.1 . 1 . . . . 120 ARG CB . 26935 1 554 . 1 1 102 102 ARG N N 15 120.815 0.05 . 1 . . . . 120 ARG N . 26935 1 555 . 1 1 103 103 PHE H H 1 8.148 0.01 . 1 . . . . 121 PHE H . 26935 1 556 . 1 1 103 103 PHE HA H 1 4.6 0.01 . 1 . . . . 121 PHE HA . 26935 1 557 . 1 1 103 103 PHE C C 13 176.208 0.05 . 1 . . . . 121 PHE C . 26935 1 558 . 1 1 103 103 PHE CA C 13 57.711 0.1 . 1 . . . . 121 PHE CA . 26935 1 559 . 1 1 103 103 PHE CB C 13 39.494 0.1 . 1 . . . . 121 PHE CB . 26935 1 560 . 1 1 103 103 PHE N N 15 120.195 0.05 . 1 . . . . 121 PHE N . 26935 1 561 . 1 1 104 104 GLY H H 1 8.234 0.01 . 1 . . . . 122 GLY H . 26935 1 562 . 1 1 104 104 GLY HA2 H 1 3.905 0.01 . 1 . . . . 122 GLY HA . 26935 1 563 . 1 1 104 104 GLY HA3 H 1 3.905 0.01 . 1 . . . . 122 GLY HA . 26935 1 564 . 1 1 104 104 GLY C C 13 173.765 0.05 . 1 . . . . 122 GLY C . 26935 1 565 . 1 1 104 104 GLY CA C 13 45.289 0.1 . 1 . . . . 122 GLY CA . 26935 1 566 . 1 1 104 104 GLY N N 15 109.793 0.05 . 1 . . . . 122 GLY N . 26935 1 567 . 1 1 105 105 LYS H H 1 8.115 0.01 . 1 . . . . 123 LYS H . 26935 1 568 . 1 1 105 105 LYS HA H 1 4.32 0.01 . 1 . . . . 123 LYS HA . 26935 1 569 . 1 1 105 105 LYS C C 13 176.52 0.05 . 1 . . . . 123 LYS C . 26935 1 570 . 1 1 105 105 LYS CA C 13 56.16 0.1 . 1 . . . . 123 LYS CA . 26935 1 571 . 1 1 105 105 LYS CB C 13 33.352 0.1 . 1 . . . . 123 LYS CB . 26935 1 572 . 1 1 105 105 LYS N N 15 120.887 0.05 . 1 . . . . 123 LYS N . 26935 1 573 . 1 1 106 106 ARG H H 1 8.427 0.01 . 1 . . . . 124 ARG H . 26935 1 574 . 1 1 106 106 ARG HA H 1 4.328 0.01 . 1 . . . . 124 ARG HA . 26935 1 575 . 1 1 106 106 ARG C C 13 176.223 0.05 . 1 . . . . 124 ARG C . 26935 1 576 . 1 1 106 106 ARG CA C 13 56.175 0.1 . 1 . . . . 124 ARG CA . 26935 1 577 . 1 1 106 106 ARG CB C 13 30.883 0.1 . 1 . . . . 124 ARG CB . 26935 1 578 . 1 1 106 106 ARG N N 15 122.907 0.05 . 1 . . . . 124 ARG N . 26935 1 579 . 1 1 107 107 GLU H H 1 8.472 0.01 . 1 . . . . 125 GLU H . 26935 1 580 . 1 1 107 107 GLU HA H 1 4.264 0.01 . 1 . . . . 125 GLU HA . 26935 1 581 . 1 1 107 107 GLU C C 13 175.923 0.05 . 1 . . . . 125 GLU C . 26935 1 582 . 1 1 107 107 GLU CA C 13 56.348 0.1 . 1 . . . . 125 GLU CA . 26935 1 583 . 1 1 107 107 GLU CB C 13 30.596 0.1 . 1 . . . . 125 GLU CB . 26935 1 584 . 1 1 107 107 GLU N N 15 122.654 0.05 . 1 . . . . 125 GLU N . 26935 1 585 . 1 1 108 108 ALA H H 1 8.332 0.01 . 1 . . . . 126 ALA H . 26935 1 586 . 1 1 108 108 ALA HA H 1 4.277 0.01 . 1 . . . . 126 ALA HA . 26935 1 587 . 1 1 108 108 ALA C C 13 176.988 0.05 . 1 . . . . 126 ALA C . 26935 1 588 . 1 1 108 108 ALA CA C 13 52.213 0.1 . 1 . . . . 126 ALA CA . 26935 1 589 . 1 1 108 108 ALA CB C 13 19.47 0.1 . 1 . . . . 126 ALA CB . 26935 1 590 . 1 1 108 108 ALA N N 15 125.411 0.05 . 1 . . . . 126 ALA N . 26935 1 591 . 1 1 109 109 ALA H H 1 8.256 0.01 . 1 . . . . 127 ALA H . 26935 1 592 . 1 1 109 109 ALA HA H 1 4.547 0.01 . 1 . . . . 127 ALA HA . 26935 1 593 . 1 1 109 109 ALA C C 13 175.593 0.05 . 1 . . . . 127 ALA C . 26935 1 594 . 1 1 109 109 ALA CA C 13 50.453 0.1 . 1 . . . . 127 ALA CA . 26935 1 595 . 1 1 109 109 ALA CB C 13 18.235 0.1 . 1 . . . . 127 ALA CB . 26935 1 596 . 1 1 109 109 ALA N N 15 124.664 0.05 . 1 . . . . 127 ALA N . 26935 1 597 . 1 1 110 110 PRO HA H 1 4.397 0.01 . 1 . . . . 128 PRO HA . 26935 1 598 . 1 1 110 110 PRO C C 13 177.671 0.05 . 1 . . . . 128 PRO C . 26935 1 599 . 1 1 110 110 PRO CA C 13 63.419 0.1 . 1 . . . . 128 PRO CA . 26935 1 600 . 1 1 110 110 PRO CB C 13 32.128 0.1 . 1 . . . . 128 PRO CB . 26935 1 601 . 1 1 111 111 GLY H H 1 8.422 0.01 . 1 . . . . 129 GLY H . 26935 1 602 . 1 1 111 111 GLY HA2 H 1 3.912 0.01 . 1 . . . . 129 GLY HA . 26935 1 603 . 1 1 111 111 GLY HA3 H 1 3.912 0.01 . 1 . . . . 129 GLY HA . 26935 1 604 . 1 1 111 111 GLY C C 13 173.954 0.05 . 1 . . . . 129 GLY C . 26935 1 605 . 1 1 111 111 GLY CA C 13 45.267 0.1 . 1 . . . . 129 GLY CA . 26935 1 606 . 1 1 111 111 GLY N N 15 108.785 0.05 . 1 . . . . 129 GLY N . 26935 1 607 . 1 1 112 112 ASN H H 1 8.265 0.01 . 1 . . . . 130 ASN H . 26935 1 608 . 1 1 112 112 ASN C C 13 175.166 0.05 . 9 . . . . 130 ASN C . 26935 1 609 . 1 1 112 112 ASN CA C 13 53.23 0.1 . 9 . . . . 130 ASN CA . 26935 1 610 . 1 1 112 112 ASN N N 15 118.407 0.05 . 1 . . . . 130 ASN N . 26935 1 611 . 1 1 113 113 HIS H H 1 8.187 0.01 . 9 . . . . 131 HIS H . 26935 1 612 . 1 1 113 113 HIS N N 15 121.01 0.05 . 9 . . . . 131 HIS N . 26935 1 613 . 1 1 114 114 GLY H H 1 8.398 0.01 . 1 . . . . 132 GLY H . 26935 1 614 . 1 1 114 114 GLY C C 13 174.285 0.05 . 1 . . . . 132 GLY C . 26935 1 615 . 1 1 114 114 GLY CA C 13 45.458 0.1 . 1 . . . . 132 GLY CA . 26935 1 616 . 1 1 114 114 GLY N N 15 109.535 0.05 . 1 . . . . 132 GLY N . 26935 1 617 . 1 1 115 115 ARG H H 1 8.26 0.01 . 1 . . . . 133 ARG H . 26935 1 618 . 1 1 115 115 ARG HA H 1 4.38 0.01 . 1 . . . . 133 ARG HA . 26935 1 619 . 1 1 115 115 ARG C C 13 176.623 0.05 . 1 . . . . 133 ARG C . 26935 1 620 . 1 1 115 115 ARG CA C 13 56.163 0.1 . 1 . . . . 133 ARG CA . 26935 1 621 . 1 1 115 115 ARG CB C 13 30.927 0.1 . 1 . . . . 133 ARG CB . 26935 1 622 . 1 1 115 115 ARG N N 15 120.821 0.05 . 1 . . . . 133 ARG N . 26935 1 623 . 1 1 116 116 SER H H 1 8.398 0.01 . 1 . . . . 134 SER H . 26935 1 624 . 1 1 116 116 SER HA H 1 4.439 0.01 . 1 . . . . 134 SER HA . 26935 1 625 . 1 1 116 116 SER C C 13 174.352 0.05 . 1 . . . . 134 SER C . 26935 1 626 . 1 1 116 116 SER CA C 13 58.415 0.1 . 1 . . . . 134 SER CA . 26935 1 627 . 1 1 116 116 SER CB C 13 63.87 0.1 . 1 . . . . 134 SER CB . 26935 1 628 . 1 1 116 116 SER N N 15 117.226 0.05 . 1 . . . . 134 SER N . 26935 1 629 . 1 1 117 117 ALA H H 1 8.379 0.01 . 1 . . . . 135 ALA H . 26935 1 630 . 1 1 117 117 ALA HA H 1 4.338 0.01 . 1 . . . . 135 ALA HA . 26935 1 631 . 1 1 117 117 ALA C C 13 178.164 0.05 . 1 . . . . 135 ALA C . 26935 1 632 . 1 1 117 117 ALA CA C 13 52.747 0.1 . 1 . . . . 135 ALA CA . 26935 1 633 . 1 1 117 117 ALA CB C 13 19.301 0.1 . 1 . . . . 135 ALA CB . 26935 1 634 . 1 1 117 117 ALA N N 15 125.977 0.05 . 1 . . . . 135 ALA N . 26935 1 635 . 1 1 118 118 GLY H H 1 8.345 0.01 . 1 . . . . 136 GLY H . 26935 1 636 . 1 1 118 118 GLY HA2 H 1 3.949 0.01 . 1 . . . . 136 GLY HA . 26935 1 637 . 1 1 118 118 GLY HA3 H 1 3.949 0.01 . 1 . . . . 136 GLY HA . 26935 1 638 . 1 1 118 118 GLY C C 13 174.105 0.05 . 1 . . . . 136 GLY C . 26935 1 639 . 1 1 118 118 GLY CA C 13 45.389 0.1 . 1 . . . . 136 GLY CA . 26935 1 640 . 1 1 118 118 GLY N N 15 108.154 0.05 . 1 . . . . 136 GLY N . 26935 1 641 . 1 1 119 119 ARG H H 1 8.181 0.01 . 1 . . . . 137 ARG H . 26935 1 642 . 1 1 119 119 ARG HA H 1 4.393 0.01 . 1 . . . . 137 ARG HA . 26935 1 643 . 1 1 119 119 ARG C C 13 175.879 0.05 . 1 . . . . 137 ARG C . 26935 1 644 . 1 1 119 119 ARG CA C 13 55.941 0.1 . 1 . . . . 137 ARG CA . 26935 1 645 . 1 1 119 119 ARG CB C 13 31.053 0.1 . 1 . . . . 137 ARG CB . 26935 1 646 . 1 1 119 119 ARG N N 15 120.667 0.05 . 1 . . . . 137 ARG N . 26935 1 647 . 1 1 120 120 GLY H H 1 8.091 0.01 . 1 . . . . 138 GLY H . 26935 1 648 . 1 1 120 120 GLY HA2 H 1 3.75 0.01 . 1 . . . . 138 GLY HA . 26935 1 649 . 1 1 120 120 GLY HA3 H 1 3.75 0.01 . 1 . . . . 138 GLY HA . 26935 1 650 . 1 1 120 120 GLY C C 13 179.045 0.05 . 1 . . . . 138 GLY C . 26935 1 651 . 1 1 120 120 GLY CA C 13 46.198 0.1 . 1 . . . . 138 GLY CA . 26935 1 652 . 1 1 120 120 GLY N N 15 116.32 0.05 . 1 . . . . 138 GLY N . 26935 1 stop_ save_