data_30676 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30676 _Entry.Title ; NMR structure of biofilm-related EbsA from Synechococcus elongatus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-09-23 _Entry.Accession_date 2019-09-23 _Entry.Last_release_date 2019-11-15 _Entry.Original_release_date 2019-11-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30676 stop_ 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 N. Zhang N. . . . 30676 2 A. LiWang A. L. . . 30676 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'UNKNOWN FUNCTION' . 30676 biofilm . 30676 secretion . 30676 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30676 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 30676 '15N chemical shifts' 121 30676 '1H chemical shifts' 794 30676 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 3 . . 2021-08-26 2019-11-15 update BMRB 'update assignment' 30676 2 . . 2021-08-05 2019-11-15 update BMRB 'update assignment and entry citation' 30676 1 . . 2020-09-28 2019-11-15 original author 'original release' 30676 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6UF2 . 30676 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30676 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32949024 _Citation.DOI 10.1002/pro.3952 _Citation.Full_citation . _Citation.Title ; Solution NMR structure of Se0862, a highly conserved cyanobacterial protein involved in biofilm formation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 11 _Citation.Journal_ASTM PRCIEI _Citation.Journal_ISSN 1469-896X _Citation.Journal_CSD 0795 _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 2274 _Citation.Page_last 2280 _Citation.Year 2020 _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 N. Zhang N. . . . 30676 1 2 Y. Chang Y. G. . . 30676 1 3 R. Tseng R. . . . 30676 1 4 S. Ovchinnikov S. . . . 30676 1 5 R. Schwarz R. . . . 30676 1 6 A. LiWang A. . . . 30676 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30676 _Assembly.ID 1 _Assembly.Name 'Biofilm-related protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30676 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30676 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRIDELVPADPRAVSLYTPY YSQANRRRYLPYALSLYQGS SIEGSRAVEGGAPISFVATW TVTPLPADMTRCHLQFNNDA ELTYEILLPNHEFLEYLIDM LMGYQRMQKTDFPGAFYRRL LGYDS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 125 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14425.336 _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 . MET . 30676 1 2 . ARG . 30676 1 3 . ILE . 30676 1 4 . ASP . 30676 1 5 . GLU . 30676 1 6 . LEU . 30676 1 7 . VAL . 30676 1 8 . PRO . 30676 1 9 . ALA . 30676 1 10 . ASP . 30676 1 11 . PRO . 30676 1 12 . ARG . 30676 1 13 . ALA . 30676 1 14 . VAL . 30676 1 15 . SER . 30676 1 16 . LEU . 30676 1 17 . TYR . 30676 1 18 . THR . 30676 1 19 . PRO . 30676 1 20 . TYR . 30676 1 21 . TYR . 30676 1 22 . SER . 30676 1 23 . GLN . 30676 1 24 . ALA . 30676 1 25 . ASN . 30676 1 26 . ARG . 30676 1 27 . ARG . 30676 1 28 . ARG . 30676 1 29 . TYR . 30676 1 30 . LEU . 30676 1 31 . PRO . 30676 1 32 . TYR . 30676 1 33 . ALA . 30676 1 34 . LEU . 30676 1 35 . SER . 30676 1 36 . LEU . 30676 1 37 . TYR . 30676 1 38 . GLN . 30676 1 39 . GLY . 30676 1 40 . SER . 30676 1 41 . SER . 30676 1 42 . ILE . 30676 1 43 . GLU . 30676 1 44 . GLY . 30676 1 45 . SER . 30676 1 46 . ARG . 30676 1 47 . ALA . 30676 1 48 . VAL . 30676 1 49 . GLU . 30676 1 50 . GLY . 30676 1 51 . GLY . 30676 1 52 . ALA . 30676 1 53 . PRO . 30676 1 54 . ILE . 30676 1 55 . SER . 30676 1 56 . PHE . 30676 1 57 . VAL . 30676 1 58 . ALA . 30676 1 59 . THR . 30676 1 60 . TRP . 30676 1 61 . THR . 30676 1 62 . VAL . 30676 1 63 . THR . 30676 1 64 . PRO . 30676 1 65 . LEU . 30676 1 66 . PRO . 30676 1 67 . ALA . 30676 1 68 . ASP . 30676 1 69 . MET . 30676 1 70 . THR . 30676 1 71 . ARG . 30676 1 72 . CYS . 30676 1 73 . HIS . 30676 1 74 . LEU . 30676 1 75 . GLN . 30676 1 76 . PHE . 30676 1 77 . ASN . 30676 1 78 . ASN . 30676 1 79 . ASP . 30676 1 80 . ALA . 30676 1 81 . GLU . 30676 1 82 . LEU . 30676 1 83 . THR . 30676 1 84 . TYR . 30676 1 85 . GLU . 30676 1 86 . ILE . 30676 1 87 . LEU . 30676 1 88 . LEU . 30676 1 89 . PRO . 30676 1 90 . ASN . 30676 1 91 . HIS . 30676 1 92 . GLU . 30676 1 93 . PHE . 30676 1 94 . LEU . 30676 1 95 . GLU . 30676 1 96 . TYR . 30676 1 97 . LEU . 30676 1 98 . ILE . 30676 1 99 . ASP . 30676 1 100 . MET . 30676 1 101 . LEU . 30676 1 102 . MET . 30676 1 103 . GLY . 30676 1 104 . TYR . 30676 1 105 . GLN . 30676 1 106 . ARG . 30676 1 107 . MET . 30676 1 108 . GLN . 30676 1 109 . LYS . 30676 1 110 . THR . 30676 1 111 . ASP . 30676 1 112 . PHE . 30676 1 113 . PRO . 30676 1 114 . GLY . 30676 1 115 . ALA . 30676 1 116 . PHE . 30676 1 117 . TYR . 30676 1 118 . ARG . 30676 1 119 . ARG . 30676 1 120 . LEU . 30676 1 121 . LEU . 30676 1 122 . GLY . 30676 1 123 . TYR . 30676 1 124 . ASP . 30676 1 125 . SER . 30676 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 30676 1 . ARG 2 2 30676 1 . ILE 3 3 30676 1 . ASP 4 4 30676 1 . GLU 5 5 30676 1 . LEU 6 6 30676 1 . VAL 7 7 30676 1 . PRO 8 8 30676 1 . ALA 9 9 30676 1 . ASP 10 10 30676 1 . PRO 11 11 30676 1 . ARG 12 12 30676 1 . ALA 13 13 30676 1 . VAL 14 14 30676 1 . SER 15 15 30676 1 . LEU 16 16 30676 1 . TYR 17 17 30676 1 . THR 18 18 30676 1 . PRO 19 19 30676 1 . TYR 20 20 30676 1 . TYR 21 21 30676 1 . SER 22 22 30676 1 . GLN 23 23 30676 1 . ALA 24 24 30676 1 . ASN 25 25 30676 1 . ARG 26 26 30676 1 . ARG 27 27 30676 1 . ARG 28 28 30676 1 . TYR 29 29 30676 1 . LEU 30 30 30676 1 . PRO 31 31 30676 1 . TYR 32 32 30676 1 . ALA 33 33 30676 1 . LEU 34 34 30676 1 . SER 35 35 30676 1 . LEU 36 36 30676 1 . TYR 37 37 30676 1 . GLN 38 38 30676 1 . GLY 39 39 30676 1 . SER 40 40 30676 1 . SER 41 41 30676 1 . ILE 42 42 30676 1 . GLU 43 43 30676 1 . GLY 44 44 30676 1 . SER 45 45 30676 1 . ARG 46 46 30676 1 . ALA 47 47 30676 1 . VAL 48 48 30676 1 . GLU 49 49 30676 1 . GLY 50 50 30676 1 . GLY 51 51 30676 1 . ALA 52 52 30676 1 . PRO 53 53 30676 1 . ILE 54 54 30676 1 . SER 55 55 30676 1 . PHE 56 56 30676 1 . VAL 57 57 30676 1 . ALA 58 58 30676 1 . THR 59 59 30676 1 . TRP 60 60 30676 1 . THR 61 61 30676 1 . VAL 62 62 30676 1 . THR 63 63 30676 1 . PRO 64 64 30676 1 . LEU 65 65 30676 1 . PRO 66 66 30676 1 . ALA 67 67 30676 1 . ASP 68 68 30676 1 . MET 69 69 30676 1 . THR 70 70 30676 1 . ARG 71 71 30676 1 . CYS 72 72 30676 1 . HIS 73 73 30676 1 . LEU 74 74 30676 1 . GLN 75 75 30676 1 . PHE 76 76 30676 1 . ASN 77 77 30676 1 . ASN 78 78 30676 1 . ASP 79 79 30676 1 . ALA 80 80 30676 1 . GLU 81 81 30676 1 . LEU 82 82 30676 1 . THR 83 83 30676 1 . TYR 84 84 30676 1 . GLU 85 85 30676 1 . ILE 86 86 30676 1 . LEU 87 87 30676 1 . LEU 88 88 30676 1 . PRO 89 89 30676 1 . ASN 90 90 30676 1 . HIS 91 91 30676 1 . GLU 92 92 30676 1 . PHE 93 93 30676 1 . LEU 94 94 30676 1 . GLU 95 95 30676 1 . TYR 96 96 30676 1 . LEU 97 97 30676 1 . ILE 98 98 30676 1 . ASP 99 99 30676 1 . MET 100 100 30676 1 . LEU 101 101 30676 1 . MET 102 102 30676 1 . GLY 103 103 30676 1 . TYR 104 104 30676 1 . GLN 105 105 30676 1 . ARG 106 106 30676 1 . MET 107 107 30676 1 . GLN 108 108 30676 1 . LYS 109 109 30676 1 . THR 110 110 30676 1 . ASP 111 111 30676 1 . PHE 112 112 30676 1 . PRO 113 113 30676 1 . GLY 114 114 30676 1 . ALA 115 115 30676 1 . PHE 116 116 30676 1 . TYR 117 117 30676 1 . ARG 118 118 30676 1 . ARG 119 119 30676 1 . LEU 120 120 30676 1 . LEU 121 121 30676 1 . GLY 122 122 30676 1 . TYR 123 123 30676 1 . ASP 124 124 30676 1 . SER 125 125 30676 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 30676 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 1140 organism . 'Synechococcus elongatus (strain PCC 7942)' 'Synechococcus elongatus' . . Bacteria . Synechococcus elongatus 'PCC 7942' . . . . . . . . . . Synpcc7942_0862 . 30676 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 30676 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 30676 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30676 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O' _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 EbsA '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 30676 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 30676 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 125 . mM 30676 1 pH 7 . pH 30676 1 pressure 1013.25 . mbar 30676 1 temperature 295 . K 30676 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30676 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 2.51 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30676 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 30676 1 'structure calculation' . 30676 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30676 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version 1.414 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Woonghee Lee, Marco Tonelli, and John L. Markley' . . 30676 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 30676 2 'peak picking' . 30676 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30676 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30676 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 30676 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30676 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 30676 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 30676 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 30676 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 8 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 9 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 12 '3D IPAP-HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 13 '2D (HB)CB(CDCGCE)HE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 14 '2D (HB)CB(CDCG)HG' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 15 '3D CC(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 16 '3D HCCH(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 17 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 18 '4D 13C-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 30676 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30676 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'DSS is used as internal reference' 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 4.87 internal indirect 0.251449530 . . . . . 30676 1 H 1 DSS 'methyl protons' . . . . ppm 4.87 internal direct 1 . . . . . 30676 1 N 15 DSS 'methyl protons' . . . . ppm 4.87 internal indirect 0.101329118 . . . . . 30676 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30676 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 30676 1 2 '2D 1H-13C HSQC' . . . 30676 1 3 '3D HNCACB' . . . 30676 1 4 '3D CBCA(CO)NH' . . . 30676 1 5 '3D HNCO' . . . 30676 1 6 '3D HN(CA)CO' . . . 30676 1 7 '3D HCCH-TOCSY' . . . 30676 1 8 '3D HCCH-COSY' . . . 30676 1 9 '3D HCCH-COSY' . . . 30676 1 10 '3D 1H-13C NOESY' . . . 30676 1 11 '3D 1H-15N NOESY' . . . 30676 1 12 '3D IPAP-HNCO' . . . 30676 1 13 '2D (HB)CB(CDCGCE)HE' . . . 30676 1 14 '2D (HB)CB(CDCG)HG' . . . 30676 1 15 '3D CC(CO)NH' . . . 30676 1 16 '3D HCCH(CO)NH' . . . 30676 1 17 '3D HBHA(CO)NH' . . . 30676 1 18 '4D 13C-13C NOESY' . . . 30676 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 ARG HA H 1 4.431 0.01 . . . . . . A 2 ARG HA . 30676 1 2 . 1 . 1 2 2 ARG HB2 H 1 2.030 0.00 . . . . . . A 2 ARG HB2 . 30676 1 3 . 1 . 1 2 2 ARG HB3 H 1 2.030 0.00 . . . . . . A 2 ARG HB3 . 30676 1 4 . 1 . 1 2 2 ARG HG2 H 1 1.725 0.00 . . . . . . A 2 ARG HG2 . 30676 1 5 . 1 . 1 2 2 ARG HG3 H 1 1.725 0.00 . . . . . . A 2 ARG HG3 . 30676 1 6 . 1 . 1 2 2 ARG HD2 H 1 3.297 0.00 . . . . . . A 2 ARG HD2 . 30676 1 7 . 1 . 1 2 2 ARG HD3 H 1 3.297 0.00 . . . . . . A 2 ARG HD3 . 30676 1 8 . 1 . 1 2 2 ARG C C 13 177.947 0.00 . . . . . . A 2 ARG C . 30676 1 9 . 1 . 1 2 2 ARG CA C 13 55.690 0.00 . . . . . . A 2 ARG CA . 30676 1 10 . 1 . 1 2 2 ARG CB C 13 32.237 0.00 . . . . . . A 2 ARG CB . 30676 1 11 . 1 . 1 2 2 ARG CG C 13 27.369 0.00 . . . . . . A 2 ARG CG . 30676 1 12 . 1 . 1 2 2 ARG CD C 13 43.208 0.00 . . . . . . A 2 ARG CD . 30676 1 13 . 1 . 1 3 3 ILE H H 1 8.492 0.00 . . . . . . A 3 ILE H . 30676 1 14 . 1 . 1 3 3 ILE HA H 1 3.451 0.01 . . . . . . A 3 ILE HA . 30676 1 15 . 1 . 1 3 3 ILE HB H 1 0.912 0.18 . . . . . . A 3 ILE HB . 30676 1 16 . 1 . 1 3 3 ILE HG12 H 1 1.403 0.20 . . . . . . A 3 ILE HG12 . 30676 1 17 . 1 . 1 3 3 ILE HG13 H 1 0.823 0.01 . . . . . . A 3 ILE HG13 . 30676 1 18 . 1 . 1 3 3 ILE HG21 H 1 0.348 0.09 . . . . . . A 3 ILE HG21 . 30676 1 19 . 1 . 1 3 3 ILE HG22 H 1 0.348 0.09 . . . . . . A 3 ILE HG22 . 30676 1 20 . 1 . 1 3 3 ILE HG23 H 1 0.348 0.09 . . . . . . A 3 ILE HG23 . 30676 1 21 . 1 . 1 3 3 ILE HD11 H 1 0.603 0.14 . . . . . . A 3 ILE HD11 . 30676 1 22 . 1 . 1 3 3 ILE HD12 H 1 0.603 0.14 . . . . . . A 3 ILE HD12 . 30676 1 23 . 1 . 1 3 3 ILE HD13 H 1 0.603 0.14 . . . . . . A 3 ILE HD13 . 30676 1 24 . 1 . 1 3 3 ILE C C 13 177.002 0.10 . . . . . . A 3 ILE C . 30676 1 25 . 1 . 1 3 3 ILE CA C 13 64.666 0.10 . . . . . . A 3 ILE CA . 30676 1 26 . 1 . 1 3 3 ILE CB C 13 37.283 0.05 . . . . . . A 3 ILE CB . 30676 1 27 . 1 . 1 3 3 ILE CG1 C 13 30.095 0.04 . . . . . . A 3 ILE CG1 . 30676 1 28 . 1 . 1 3 3 ILE CG2 C 13 21.219 9.92 . . . . . . A 3 ILE CG2 . 30676 1 29 . 1 . 1 3 3 ILE CD1 C 13 13.421 0.00 . . . . . . A 3 ILE CD1 . 30676 1 30 . 1 . 1 3 3 ILE N N 15 121.842 0.01 . . . . . . A 3 ILE N . 30676 1 31 . 1 . 1 4 4 ASP H H 1 8.237 0.00 . . . . . . A 4 ASP H . 30676 1 32 . 1 . 1 4 4 ASP HA H 1 4.404 0.01 . . . . . . A 4 ASP HA . 30676 1 33 . 1 . 1 4 4 ASP HB2 H 1 2.895 0.00 . . . . . . A 4 ASP HB2 . 30676 1 34 . 1 . 1 4 4 ASP HB3 H 1 2.754 0.00 . . . . . . A 4 ASP HB3 . 30676 1 35 . 1 . 1 4 4 ASP C C 13 176.607 0.11 . . . . . . A 4 ASP C . 30676 1 36 . 1 . 1 4 4 ASP CA C 13 55.047 0.11 . . . . . . A 4 ASP CA . 30676 1 37 . 1 . 1 4 4 ASP CB C 13 39.811 0.04 . . . . . . A 4 ASP CB . 30676 1 38 . 1 . 1 4 4 ASP N N 15 115.464 0.01 . . . . . . A 4 ASP N . 30676 1 39 . 1 . 1 5 5 GLU H H 1 7.471 0.00 . . . . . . A 5 GLU H . 30676 1 40 . 1 . 1 5 5 GLU HA H 1 4.465 0.01 . . . . . . A 5 GLU HA . 30676 1 41 . 1 . 1 5 5 GLU HB2 H 1 2.157 0.05 . . . . . . A 5 GLU HB2 . 30676 1 42 . 1 . 1 5 5 GLU HB3 H 1 2.117 0.00 . . . . . . A 5 GLU HB3 . 30676 1 43 . 1 . 1 5 5 GLU HG2 H 1 2.263 0.00 . . . . . . A 5 GLU HG2 . 30676 1 44 . 1 . 1 5 5 GLU HG3 H 1 2.286 0.01 . . . . . . A 5 GLU HG3 . 30676 1 45 . 1 . 1 5 5 GLU C C 13 176.496 0.06 . . . . . . A 5 GLU C . 30676 1 46 . 1 . 1 5 5 GLU CA C 13 55.567 0.06 . . . . . . A 5 GLU CA . 30676 1 47 . 1 . 1 5 5 GLU CB C 13 31.028 0.05 . . . . . . A 5 GLU CB . 30676 1 48 . 1 . 1 5 5 GLU CG C 13 36.781 0.07 . . . . . . A 5 GLU CG . 30676 1 49 . 1 . 1 5 5 GLU N N 15 117.270 0.01 . . . . . . A 5 GLU N . 30676 1 50 . 1 . 1 6 6 LEU H H 1 7.271 0.00 . . . . . . A 6 LEU H . 30676 1 51 . 1 . 1 6 6 LEU HA H 1 4.388 0.00 . . . . . . A 6 LEU HA . 30676 1 52 . 1 . 1 6 6 LEU HB2 H 1 2.081 0.02 . . . . . . A 6 LEU HB2 . 30676 1 53 . 1 . 1 6 6 LEU HB3 H 1 1.683 0.28 . . . . . . A 6 LEU HB3 . 30676 1 54 . 1 . 1 6 6 LEU HG H 1 1.488 0.00 . . . . . . A 6 LEU HG . 30676 1 55 . 1 . 1 6 6 LEU HD11 H 1 0.987 0.07 . . . . . . A 6 LEU HD11 . 30676 1 56 . 1 . 1 6 6 LEU HD12 H 1 0.987 0.07 . . . . . . A 6 LEU HD12 . 30676 1 57 . 1 . 1 6 6 LEU HD13 H 1 0.987 0.07 . . . . . . A 6 LEU HD13 . 30676 1 58 . 1 . 1 6 6 LEU HD21 H 1 0.918 0.01 . . . . . . A 6 LEU HD21 . 30676 1 59 . 1 . 1 6 6 LEU HD22 H 1 0.918 0.01 . . . . . . A 6 LEU HD22 . 30676 1 60 . 1 . 1 6 6 LEU HD23 H 1 0.918 0.01 . . . . . . A 6 LEU HD23 . 30676 1 61 . 1 . 1 6 6 LEU C C 13 176.993 0.04 . . . . . . A 6 LEU C . 30676 1 62 . 1 . 1 6 6 LEU CA C 13 55.954 0.04 . . . . . . A 6 LEU CA . 30676 1 63 . 1 . 1 6 6 LEU CB C 13 43.620 0.03 . . . . . . A 6 LEU CB . 30676 1 64 . 1 . 1 6 6 LEU CG C 13 27.836 0.03 . . . . . . A 6 LEU CG . 30676 1 65 . 1 . 1 6 6 LEU CD1 C 13 22.440 0.00 . . . . . . A 6 LEU CD1 . 30676 1 66 . 1 . 1 6 6 LEU CD2 C 13 28.504 11.94 . . . . . . A 6 LEU CD2 . 30676 1 67 . 1 . 1 6 6 LEU N N 15 119.140 0.02 . . . . . . A 6 LEU N . 30676 1 68 . 1 . 1 7 7 VAL H H 1 7.952 0.00 . . . . . . A 7 VAL H . 30676 1 69 . 1 . 1 7 7 VAL HA H 1 4.031 0.00 . . . . . . A 7 VAL HA . 30676 1 70 . 1 . 1 7 7 VAL HB H 1 2.217 0.00 . . . . . . A 7 VAL HB . 30676 1 71 . 1 . 1 7 7 VAL HG11 H 1 0.814 0.10 . . . . . . A 7 VAL HG11 . 30676 1 72 . 1 . 1 7 7 VAL HG12 H 1 0.814 0.10 . . . . . . A 7 VAL HG12 . 30676 1 73 . 1 . 1 7 7 VAL HG13 H 1 0.814 0.10 . . . . . . A 7 VAL HG13 . 30676 1 74 . 1 . 1 7 7 VAL HG21 H 1 0.822 0.01 . . . . . . A 7 VAL HG21 . 30676 1 75 . 1 . 1 7 7 VAL HG22 H 1 0.822 0.01 . . . . . . A 7 VAL HG22 . 30676 1 76 . 1 . 1 7 7 VAL HG23 H 1 0.822 0.01 . . . . . . A 7 VAL HG23 . 30676 1 77 . 1 . 1 7 7 VAL C C 13 173.746 0.13 . . . . . . A 7 VAL C . 30676 1 78 . 1 . 1 7 7 VAL CA C 13 58.469 0.13 . . . . . . A 7 VAL CA . 30676 1 79 . 1 . 1 7 7 VAL CB C 13 32.282 0.05 . . . . . . A 7 VAL CB . 30676 1 80 . 1 . 1 7 7 VAL N N 15 116.820 0.01 . . . . . . A 7 VAL N . 30676 1 81 . 1 . 1 8 8 PRO HB2 H 1 2.072 0.00 . . . . . . A 8 PRO HB2 . 30676 1 82 . 1 . 1 8 8 PRO HB3 H 1 2.072 0.00 . . . . . . A 8 PRO HB3 . 30676 1 83 . 1 . 1 8 8 PRO HG2 H 1 1.763 0.00 . . . . . . A 8 PRO HG2 . 30676 1 84 . 1 . 1 8 8 PRO HG3 H 1 1.604 0.00 . . . . . . A 8 PRO HG3 . 30676 1 85 . 1 . 1 8 8 PRO HD2 H 1 3.248 0.00 . . . . . . A 8 PRO HD2 . 30676 1 86 . 1 . 1 8 8 PRO HD3 H 1 3.248 0.00 . . . . . . A 8 PRO HD3 . 30676 1 87 . 1 . 1 8 8 PRO C C 13 176.304 0.00 . . . . . . A 8 PRO C . 30676 1 88 . 1 . 1 8 8 PRO CA C 13 63.086 0.00 . . . . . . A 8 PRO CA . 30676 1 89 . 1 . 1 8 8 PRO CB C 13 31.762 0.00 . . . . . . A 8 PRO CB . 30676 1 90 . 1 . 1 8 8 PRO CG C 13 27.255 0.00 . . . . . . A 8 PRO CG . 30676 1 91 . 1 . 1 8 8 PRO CD C 13 50.324 0.00 . . . . . . A 8 PRO CD . 30676 1 92 . 1 . 1 9 9 ALA H H 1 7.624 0.00 . . . . . . A 9 ALA H . 30676 1 93 . 1 . 1 9 9 ALA HA H 1 4.162 0.00 . . . . . . A 9 ALA HA . 30676 1 94 . 1 . 1 9 9 ALA HB1 H 1 1.399 0.00 . . . . . . A 9 ALA HB1 . 30676 1 95 . 1 . 1 9 9 ALA HB2 H 1 1.399 0.00 . . . . . . A 9 ALA HB2 . 30676 1 96 . 1 . 1 9 9 ALA HB3 H 1 1.399 0.00 . . . . . . A 9 ALA HB3 . 30676 1 97 . 1 . 1 9 9 ALA C C 13 174.721 0.16 . . . . . . A 9 ALA C . 30676 1 98 . 1 . 1 9 9 ALA CA C 13 51.488 0.16 . . . . . . A 9 ALA CA . 30676 1 99 . 1 . 1 9 9 ALA CB C 13 20.334 0.02 . . . . . . A 9 ALA CB . 30676 1 100 . 1 . 1 9 9 ALA N N 15 124.998 0.00 . . . . . . A 9 ALA N . 30676 1 101 . 1 . 1 10 10 ASP H H 1 8.390 0.00 . . . . . . A 10 ASP H . 30676 1 102 . 1 . 1 10 10 ASP HA H 1 4.611 0.01 . . . . . . A 10 ASP HA . 30676 1 103 . 1 . 1 10 10 ASP HB2 H 1 2.788 0.00 . . . . . . A 10 ASP HB2 . 30676 1 104 . 1 . 1 10 10 ASP HB3 H 1 2.692 0.00 . . . . . . A 10 ASP HB3 . 30676 1 105 . 1 . 1 10 10 ASP C C 13 175.608 0.11 . . . . . . A 10 ASP C . 30676 1 106 . 1 . 1 10 10 ASP CA C 13 52.517 0.11 . . . . . . A 10 ASP CA . 30676 1 107 . 1 . 1 10 10 ASP CB C 13 42.699 0.04 . . . . . . A 10 ASP CB . 30676 1 108 . 1 . 1 10 10 ASP N N 15 119.483 0.01 . . . . . . A 10 ASP N . 30676 1 109 . 1 . 1 11 11 PRO HA H 1 4.228 0.00 . . . . . . A 11 PRO HA . 30676 1 110 . 1 . 1 11 11 PRO HB2 H 1 2.472 0.00 . . . . . . A 11 PRO HB2 . 30676 1 111 . 1 . 1 11 11 PRO HB3 H 1 2.472 0.00 . . . . . . A 11 PRO HB3 . 30676 1 112 . 1 . 1 11 11 PRO HG2 H 1 2.147 0.00 . . . . . . A 11 PRO HG2 . 30676 1 113 . 1 . 1 11 11 PRO HG3 H 1 2.046 0.00 . . . . . . A 11 PRO HG3 . 30676 1 114 . 1 . 1 11 11 PRO HD2 H 1 3.917 0.00 . . . . . . A 11 PRO HD2 . 30676 1 115 . 1 . 1 11 11 PRO HD3 H 1 3.917 0.00 . . . . . . A 11 PRO HD3 . 30676 1 116 . 1 . 1 11 11 PRO C C 13 179.279 0.00 . . . . . . A 11 PRO C . 30676 1 117 . 1 . 1 11 11 PRO CA C 13 65.181 0.00 . . . . . . A 11 PRO CA . 30676 1 118 . 1 . 1 11 11 PRO CB C 13 32.403 0.00 . . . . . . A 11 PRO CB . 30676 1 119 . 1 . 1 11 11 PRO CG C 13 27.287 0.00 . . . . . . A 11 PRO CG . 30676 1 120 . 1 . 1 11 11 PRO CD C 13 51.218 0.00 . . . . . . A 11 PRO CD . 30676 1 121 . 1 . 1 12 12 ARG H H 1 8.964 0.00 . . . . . . A 12 ARG H . 30676 1 122 . 1 . 1 12 12 ARG HA H 1 4.176 0.00 . . . . . . A 12 ARG HA . 30676 1 123 . 1 . 1 12 12 ARG HB2 H 1 1.956 0.00 . . . . . . A 12 ARG HB2 . 30676 1 124 . 1 . 1 12 12 ARG HB3 H 1 1.956 0.00 . . . . . . A 12 ARG HB3 . 30676 1 125 . 1 . 1 12 12 ARG HG2 H 1 1.787 0.00 . . . . . . A 12 ARG HG2 . 30676 1 126 . 1 . 1 12 12 ARG HG3 H 1 1.789 0.00 . . . . . . A 12 ARG HG3 . 30676 1 127 . 1 . 1 12 12 ARG HD2 H 1 3.301 0.00 . . . . . . A 12 ARG HD2 . 30676 1 128 . 1 . 1 12 12 ARG HD3 H 1 3.301 0.00 . . . . . . A 12 ARG HD3 . 30676 1 129 . 1 . 1 12 12 ARG C C 13 179.346 0.00 . . . . . . A 12 ARG C . 30676 1 130 . 1 . 1 12 12 ARG CA C 13 59.213 0.00 . . . . . . A 12 ARG CA . 30676 1 131 . 1 . 1 12 12 ARG CB C 13 29.602 0.00 . . . . . . A 12 ARG CB . 30676 1 132 . 1 . 1 12 12 ARG CG C 13 26.976 0.00 . . . . . . A 12 ARG CG . 30676 1 133 . 1 . 1 12 12 ARG CD C 13 43.172 0.00 . . . . . . A 12 ARG CD . 30676 1 134 . 1 . 1 12 12 ARG N N 15 119.090 0.02 . . . . . . A 12 ARG N . 30676 1 135 . 1 . 1 13 13 ALA H H 1 7.667 0.00 . . . . . . A 13 ALA H . 30676 1 136 . 1 . 1 13 13 ALA HA H 1 4.419 0.01 . . . . . . A 13 ALA HA . 30676 1 137 . 1 . 1 13 13 ALA HB1 H 1 1.674 0.00 . . . . . . A 13 ALA HB1 . 30676 1 138 . 1 . 1 13 13 ALA HB2 H 1 1.674 0.00 . . . . . . A 13 ALA HB2 . 30676 1 139 . 1 . 1 13 13 ALA HB3 H 1 1.674 0.00 . . . . . . A 13 ALA HB3 . 30676 1 140 . 1 . 1 13 13 ALA C C 13 179.775 0.13 . . . . . . A 13 ALA C . 30676 1 141 . 1 . 1 13 13 ALA CA C 13 54.906 0.13 . . . . . . A 13 ALA CA . 30676 1 142 . 1 . 1 13 13 ALA CB C 13 18.089 0.04 . . . . . . A 13 ALA CB . 30676 1 143 . 1 . 1 13 13 ALA N N 15 123.562 0.01 . . . . . . A 13 ALA N . 30676 1 144 . 1 . 1 14 14 VAL H H 1 7.863 0.00 . . . . . . A 14 VAL H . 30676 1 145 . 1 . 1 14 14 VAL HA H 1 3.404 0.00 . . . . . . A 14 VAL HA . 30676 1 146 . 1 . 1 14 14 VAL HB H 1 2.197 0.00 . . . . . . A 14 VAL HB . 30676 1 147 . 1 . 1 14 14 VAL HG11 H 1 0.863 0.10 . . . . . . A 14 VAL HG11 . 30676 1 148 . 1 . 1 14 14 VAL HG12 H 1 0.863 0.10 . . . . . . A 14 VAL HG12 . 30676 1 149 . 1 . 1 14 14 VAL HG13 H 1 0.863 0.10 . . . . . . A 14 VAL HG13 . 30676 1 150 . 1 . 1 14 14 VAL HG21 H 1 0.930 0.01 . . . . . . A 14 VAL HG21 . 30676 1 151 . 1 . 1 14 14 VAL HG22 H 1 0.930 0.01 . . . . . . A 14 VAL HG22 . 30676 1 152 . 1 . 1 14 14 VAL HG23 H 1 0.930 0.01 . . . . . . A 14 VAL HG23 . 30676 1 153 . 1 . 1 14 14 VAL C C 13 179.685 0.13 . . . . . . A 14 VAL C . 30676 1 154 . 1 . 1 14 14 VAL CA C 13 66.915 0.13 . . . . . . A 14 VAL CA . 30676 1 155 . 1 . 1 14 14 VAL CB C 13 31.708 0.05 . . . . . . A 14 VAL CB . 30676 1 156 . 1 . 1 14 14 VAL CG1 C 13 23.527 0.06 . . . . . . A 14 VAL CG1 . 30676 1 157 . 1 . 1 14 14 VAL CG2 C 13 21.666 0.09 . . . . . . A 14 VAL CG2 . 30676 1 158 . 1 . 1 14 14 VAL N N 15 117.007 0.01 . . . . . . A 14 VAL N . 30676 1 159 . 1 . 1 15 15 SER H H 1 8.452 0.00 . . . . . . A 15 SER H . 30676 1 160 . 1 . 1 15 15 SER HA H 1 4.211 0.14 . . . . . . A 15 SER HA . 30676 1 161 . 1 . 1 15 15 SER HB2 H 1 4.068 0.00 . . . . . . A 15 SER HB2 . 30676 1 162 . 1 . 1 15 15 SER HB3 H 1 4.072 0.00 . . . . . . A 15 SER HB3 . 30676 1 163 . 1 . 1 15 15 SER C C 13 176.154 0.00 . . . . . . A 15 SER C . 30676 1 164 . 1 . 1 15 15 SER CA C 13 62.331 0.00 . . . . . . A 15 SER CA . 30676 1 165 . 1 . 1 15 15 SER CB C 13 63.180 0.00 . . . . . . A 15 SER CB . 30676 1 166 . 1 . 1 15 15 SER N N 15 115.434 0.01 . . . . . . A 15 SER N . 30676 1 167 . 1 . 1 16 16 LEU H H 1 7.491 0.00 . . . . . . A 16 LEU H . 30676 1 168 . 1 . 1 16 16 LEU HA H 1 4.224 0.01 . . . . . . A 16 LEU HA . 30676 1 169 . 1 . 1 16 16 LEU HB2 H 1 2.102 0.00 . . . . . . A 16 LEU HB2 . 30676 1 170 . 1 . 1 16 16 LEU HB3 H 1 1.591 0.10 . . . . . . A 16 LEU HB3 . 30676 1 171 . 1 . 1 16 16 LEU HG H 1 1.823 0.13 . . . . . . A 16 LEU HG . 30676 1 172 . 1 . 1 16 16 LEU HD11 H 1 1.089 0.03 . . . . . . A 16 LEU HD11 . 30676 1 173 . 1 . 1 16 16 LEU HD12 H 1 1.089 0.03 . . . . . . A 16 LEU HD12 . 30676 1 174 . 1 . 1 16 16 LEU HD13 H 1 1.089 0.03 . . . . . . A 16 LEU HD13 . 30676 1 175 . 1 . 1 16 16 LEU HD21 H 1 1.013 0.02 . . . . . . A 16 LEU HD21 . 30676 1 176 . 1 . 1 16 16 LEU HD22 H 1 1.013 0.02 . . . . . . A 16 LEU HD22 . 30676 1 177 . 1 . 1 16 16 LEU HD23 H 1 1.013 0.02 . . . . . . A 16 LEU HD23 . 30676 1 178 . 1 . 1 16 16 LEU C C 13 178.106 0.07 . . . . . . A 16 LEU C . 30676 1 179 . 1 . 1 16 16 LEU CA C 13 57.418 0.07 . . . . . . A 16 LEU CA . 30676 1 180 . 1 . 1 16 16 LEU CB C 13 42.460 0.03 . . . . . . A 16 LEU CB . 30676 1 181 . 1 . 1 16 16 LEU CG C 13 26.634 0.07 . . . . . . A 16 LEU CG . 30676 1 182 . 1 . 1 16 16 LEU CD1 C 13 25.016 0.03 . . . . . . A 16 LEU CD1 . 30676 1 183 . 1 . 1 16 16 LEU CD2 C 13 23.282 0.03 . . . . . . A 16 LEU CD2 . 30676 1 184 . 1 . 1 16 16 LEU N N 15 120.153 0.01 . . . . . . A 16 LEU N . 30676 1 185 . 1 . 1 17 17 TYR H H 1 7.774 0.14 . . . . . . A 17 TYR H . 30676 1 186 . 1 . 1 17 17 TYR HA H 1 4.476 0.02 . . . . . . A 17 TYR HA . 30676 1 187 . 1 . 1 17 17 TYR HB2 H 1 3.387 0.02 . . . . . . A 17 TYR HB2 . 30676 1 188 . 1 . 1 17 17 TYR HB3 H 1 3.120 0.01 . . . . . . A 17 TYR HB3 . 30676 1 189 . 1 . 1 17 17 TYR HD1 H 1 7.431 0.00 . . . . . . A 17 TYR HD1 . 30676 1 190 . 1 . 1 17 17 TYR HD2 H 1 7.157 0.27 . . . . . . A 17 TYR HD2 . 30676 1 191 . 1 . 1 17 17 TYR C C 13 176.792 0.13 . . . . . . A 17 TYR C . 30676 1 192 . 1 . 1 17 17 TYR CA C 13 60.890 0.13 . . . . . . A 17 TYR CA . 30676 1 193 . 1 . 1 17 17 TYR CB C 13 41.624 0.06 . . . . . . A 17 TYR CB . 30676 1 194 . 1 . 1 17 17 TYR N N 15 114.373 0.01 . . . . . . A 17 TYR N . 30676 1 195 . 1 . 1 18 18 THR H H 1 8.179 4.50 . . . . . . A 18 THR H . 30676 1 196 . 1 . 1 18 18 THR HG21 H 1 1.216 0.00 . . . . . . A 18 THR HG21 . 30676 1 197 . 1 . 1 18 18 THR HG22 H 1 1.216 0.00 . . . . . . A 18 THR HG22 . 30676 1 198 . 1 . 1 18 18 THR HG23 H 1 1.216 0.00 . . . . . . A 18 THR HG23 . 30676 1 199 . 1 . 1 18 18 THR C C 13 175.888 0.00 . . . . . . A 18 THR C . 30676 1 200 . 1 . 1 18 18 THR CA C 13 68.263 0.00 . . . . . . A 18 THR CA . 30676 1 201 . 1 . 1 18 18 THR CB C 13 69.928 0.00 . . . . . . A 18 THR CB . 30676 1 202 . 1 . 1 18 18 THR CG2 C 13 21.463 0.04 . . . . . . A 18 THR CG2 . 30676 1 203 . 1 . 1 18 18 THR N N 15 117.240 0.00 . . . . . . A 18 THR N . 30676 1 204 . 1 . 1 19 19 PRO HA H 1 4.297 0.00 . . . . . . A 19 PRO HA . 30676 1 205 . 1 . 1 19 19 PRO HB2 H 1 2.216 0.00 . . . . . . A 19 PRO HB2 . 30676 1 206 . 1 . 1 19 19 PRO HB3 H 1 2.216 0.00 . . . . . . A 19 PRO HB3 . 30676 1 207 . 1 . 1 19 19 PRO HG2 H 1 1.897 0.00 . . . . . . A 19 PRO HG2 . 30676 1 208 . 1 . 1 19 19 PRO HG3 H 1 1.292 0.00 . . . . . . A 19 PRO HG3 . 30676 1 209 . 1 . 1 19 19 PRO HD2 H 1 3.458 0.00 . . . . . . A 19 PRO HD2 . 30676 1 210 . 1 . 1 19 19 PRO HD3 H 1 3.458 0.00 . . . . . . A 19 PRO HD3 . 30676 1 211 . 1 . 1 19 19 PRO C C 13 177.092 0.00 . . . . . . A 19 PRO C . 30676 1 212 . 1 . 1 19 19 PRO CA C 13 65.217 0.00 . . . . . . A 19 PRO CA . 30676 1 213 . 1 . 1 19 19 PRO CB C 13 31.384 0.00 . . . . . . A 19 PRO CB . 30676 1 214 . 1 . 1 19 19 PRO CG C 13 27.778 0.00 . . . . . . A 19 PRO CG . 30676 1 215 . 1 . 1 19 19 PRO CD C 13 51.074 0.00 . . . . . . A 19 PRO CD . 30676 1 216 . 1 . 1 20 20 TYR H H 1 7.947 0.00 . . . . . . A 20 TYR H . 30676 1 217 . 1 . 1 20 20 TYR HA H 1 3.835 0.00 . . . . . . A 20 TYR HA . 30676 1 218 . 1 . 1 20 20 TYR HB2 H 1 2.738 0.01 . . . . . . A 20 TYR HB2 . 30676 1 219 . 1 . 1 20 20 TYR HB3 H 1 2.467 0.00 . . . . . . A 20 TYR HB3 . 30676 1 220 . 1 . 1 20 20 TYR HD1 H 1 7.042 0.00 . . . . . . A 20 TYR HD1 . 30676 1 221 . 1 . 1 20 20 TYR HD2 H 1 6.960 0.08 . . . . . . A 20 TYR HD2 . 30676 1 222 . 1 . 1 20 20 TYR C C 13 175.048 0.04 . . . . . . A 20 TYR C . 30676 1 223 . 1 . 1 20 20 TYR CA C 13 59.994 0.04 . . . . . . A 20 TYR CA . 30676 1 224 . 1 . 1 20 20 TYR CB C 13 37.191 0.11 . . . . . . A 20 TYR CB . 30676 1 225 . 1 . 1 20 20 TYR N N 15 112.977 0.03 . . . . . . A 20 TYR N . 30676 1 226 . 1 . 1 21 21 TYR H H 1 7.502 0.00 . . . . . . A 21 TYR H . 30676 1 227 . 1 . 1 21 21 TYR HA H 1 5.000 0.00 . . . . . . A 21 TYR HA . 30676 1 228 . 1 . 1 21 21 TYR HB2 H 1 3.027 0.03 . . . . . . A 21 TYR HB2 . 30676 1 229 . 1 . 1 21 21 TYR HB3 H 1 2.821 0.00 . . . . . . A 21 TYR HB3 . 30676 1 230 . 1 . 1 21 21 TYR HD1 H 1 7.217 0.00 . . . . . . A 21 TYR HD1 . 30676 1 231 . 1 . 1 21 21 TYR HD2 H 1 7.218 0.00 . . . . . . A 21 TYR HD2 . 30676 1 232 . 1 . 1 21 21 TYR HE1 H 1 6.885 0.00 . . . . . . A 21 TYR HE1 . 30676 1 233 . 1 . 1 21 21 TYR C C 13 174.823 0.07 . . . . . . A 21 TYR C . 30676 1 234 . 1 . 1 21 21 TYR CA C 13 56.591 0.07 . . . . . . A 21 TYR CA . 30676 1 235 . 1 . 1 21 21 TYR CB C 13 39.529 0.06 . . . . . . A 21 TYR CB . 30676 1 236 . 1 . 1 21 21 TYR N N 15 118.730 0.01 . . . . . . A 21 TYR N . 30676 1 237 . 1 . 1 22 22 SER H H 1 8.737 0.00 . . . . . . A 22 SER H . 30676 1 238 . 1 . 1 22 22 SER HA H 1 4.369 0.08 . . . . . . A 22 SER HA . 30676 1 239 . 1 . 1 22 22 SER HB2 H 1 3.996 0.00 . . . . . . A 22 SER HB2 . 30676 1 240 . 1 . 1 22 22 SER HB3 H 1 3.889 0.02 . . . . . . A 22 SER HB3 . 30676 1 241 . 1 . 1 22 22 SER C C 13 175.351 0.05 . . . . . . A 22 SER C . 30676 1 242 . 1 . 1 22 22 SER CA C 13 59.988 0.05 . . . . . . A 22 SER CA . 30676 1 243 . 1 . 1 22 22 SER CB C 13 63.857 0.08 . . . . . . A 22 SER CB . 30676 1 244 . 1 . 1 22 22 SER N N 15 119.027 0.02 . . . . . . A 22 SER N . 30676 1 245 . 1 . 1 23 23 GLN H H 1 8.324 0.00 . . . . . . A 23 GLN H . 30676 1 246 . 1 . 1 23 23 GLN HA H 1 4.322 0.00 . . . . . . A 23 GLN HA . 30676 1 247 . 1 . 1 23 23 GLN HB2 H 1 2.080 0.01 . . . . . . A 23 GLN HB2 . 30676 1 248 . 1 . 1 23 23 GLN HB3 H 1 2.080 0.01 . . . . . . A 23 GLN HB3 . 30676 1 249 . 1 . 1 23 23 GLN HG2 H 1 2.302 0.01 . . . . . . A 23 GLN HG2 . 30676 1 250 . 1 . 1 23 23 GLN HG3 H 1 2.300 0.07 . . . . . . A 23 GLN HG3 . 30676 1 251 . 1 . 1 23 23 GLN HE21 H 1 7.754 0.33 . . . . . . A 23 GLN HE21 . 30676 1 252 . 1 . 1 23 23 GLN HE22 H 1 7.098 0.33 . . . . . . A 23 GLN HE22 . 30676 1 253 . 1 . 1 23 23 GLN C C 13 177.063 0.04 . . . . . . A 23 GLN C . 30676 1 254 . 1 . 1 23 23 GLN CA C 13 54.309 0.04 . . . . . . A 23 GLN CA . 30676 1 255 . 1 . 1 23 23 GLN CB C 13 28.914 0.04 . . . . . . A 23 GLN CB . 30676 1 256 . 1 . 1 23 23 GLN CG C 13 35.034 0.00 . . . . . . A 23 GLN CG . 30676 1 257 . 1 . 1 23 23 GLN N N 15 121.590 0.02 . . . . . . A 23 GLN N . 30676 1 258 . 1 . 1 23 23 GLN NE2 N 15 112.627 0.00 . . . . . . A 23 GLN NE2 . 30676 1 259 . 1 . 1 25 25 ASN HA H 1 4.511 0.00 . . . . . . A 25 ASN HA . 30676 1 260 . 1 . 1 25 25 ASN HB2 H 1 3.010 0.00 . . . . . . A 25 ASN HB2 . 30676 1 261 . 1 . 1 25 25 ASN HB3 H 1 3.010 0.00 . . . . . . A 25 ASN HB3 . 30676 1 262 . 1 . 1 25 25 ASN CA C 13 56.247 0.00 . . . . . . A 25 ASN CA . 30676 1 263 . 1 . 1 26 26 ARG H H 1 7.286 0.00 . . . . . . A 26 ARG H . 30676 1 264 . 1 . 1 26 26 ARG HA H 1 4.338 0.00 . . . . . . A 26 ARG HA . 30676 1 265 . 1 . 1 26 26 ARG HB2 H 1 2.013 0.06 . . . . . . A 26 ARG HB2 . 30676 1 266 . 1 . 1 26 26 ARG HB3 H 1 1.955 0.00 . . . . . . A 26 ARG HB3 . 30676 1 267 . 1 . 1 26 26 ARG HG2 H 1 1.608 0.00 . . . . . . A 26 ARG HG2 . 30676 1 268 . 1 . 1 26 26 ARG HG3 H 1 1.606 0.00 . . . . . . A 26 ARG HG3 . 30676 1 269 . 1 . 1 26 26 ARG HD2 H 1 3.473 0.10 . . . . . . A 26 ARG HD2 . 30676 1 270 . 1 . 1 26 26 ARG HD3 H 1 3.232 0.01 . . . . . . A 26 ARG HD3 . 30676 1 271 . 1 . 1 26 26 ARG C C 13 178.628 0.05 . . . . . . A 26 ARG C . 30676 1 272 . 1 . 1 26 26 ARG CA C 13 59.514 0.05 . . . . . . A 26 ARG CA . 30676 1 273 . 1 . 1 26 26 ARG CB C 13 30.556 0.00 . . . . . . A 26 ARG CB . 30676 1 274 . 1 . 1 26 26 ARG CG C 13 28.650 0.00 . . . . . . A 26 ARG CG . 30676 1 275 . 1 . 1 26 26 ARG CD C 13 42.816 0.01 . . . . . . A 26 ARG CD . 30676 1 276 . 1 . 1 26 26 ARG N N 15 117.394 0.01 . . . . . . A 26 ARG N . 30676 1 277 . 1 . 1 27 27 ARG H H 1 8.197 0.00 . . . . . . A 27 ARG H . 30676 1 278 . 1 . 1 27 27 ARG HA H 1 3.873 0.00 . . . . . . A 27 ARG HA . 30676 1 279 . 1 . 1 27 27 ARG HB2 H 1 2.034 0.04 . . . . . . A 27 ARG HB2 . 30676 1 280 . 1 . 1 27 27 ARG HB3 H 1 1.994 0.01 . . . . . . A 27 ARG HB3 . 30676 1 281 . 1 . 1 27 27 ARG HG2 H 1 1.663 0.00 . . . . . . A 27 ARG HG2 . 30676 1 282 . 1 . 1 27 27 ARG HG3 H 1 1.600 0.06 . . . . . . A 27 ARG HG3 . 30676 1 283 . 1 . 1 27 27 ARG HD2 H 1 3.331 0.00 . . . . . . A 27 ARG HD2 . 30676 1 284 . 1 . 1 27 27 ARG HD3 H 1 3.331 0.00 . . . . . . A 27 ARG HD3 . 30676 1 285 . 1 . 1 27 27 ARG C C 13 178.833 0.08 . . . . . . A 27 ARG C . 30676 1 286 . 1 . 1 27 27 ARG CA C 13 60.196 0.08 . . . . . . A 27 ARG CA . 30676 1 287 . 1 . 1 27 27 ARG CB C 13 29.823 0.00 . . . . . . A 27 ARG CB . 30676 1 288 . 1 . 1 27 27 ARG CG C 13 29.220 0.00 . . . . . . A 27 ARG CG . 30676 1 289 . 1 . 1 27 27 ARG CD C 13 43.634 0.00 . . . . . . A 27 ARG CD . 30676 1 290 . 1 . 1 27 27 ARG N N 15 117.911 0.01 . . . . . . A 27 ARG N . 30676 1 291 . 1 . 1 28 28 ARG H H 1 7.790 0.00 . . . . . . A 28 ARG H . 30676 1 292 . 1 . 1 28 28 ARG HA H 1 4.134 0.00 . . . . . . A 28 ARG HA . 30676 1 293 . 1 . 1 28 28 ARG HB2 H 1 1.923 0.00 . . . . . . A 28 ARG HB2 . 30676 1 294 . 1 . 1 28 28 ARG HB3 H 1 1.772 0.00 . . . . . . A 28 ARG HB3 . 30676 1 295 . 1 . 1 28 28 ARG HG2 H 1 1.550 0.00 . . . . . . A 28 ARG HG2 . 30676 1 296 . 1 . 1 28 28 ARG HG3 H 1 1.423 0.00 . . . . . . A 28 ARG HG3 . 30676 1 297 . 1 . 1 28 28 ARG HD2 H 1 3.098 0.00 . . . . . . A 28 ARG HD2 . 30676 1 298 . 1 . 1 28 28 ARG HD3 H 1 3.098 0.00 . . . . . . A 28 ARG HD3 . 30676 1 299 . 1 . 1 28 28 ARG C C 13 177.648 0.00 . . . . . . A 28 ARG C . 30676 1 300 . 1 . 1 28 28 ARG CA C 13 58.771 0.00 . . . . . . A 28 ARG CA . 30676 1 301 . 1 . 1 28 28 ARG CB C 13 29.807 0.00 . . . . . . A 28 ARG CB . 30676 1 302 . 1 . 1 28 28 ARG CG C 13 26.855 0.00 . . . . . . A 28 ARG CG . 30676 1 303 . 1 . 1 28 28 ARG CD C 13 43.263 0.00 . . . . . . A 28 ARG CD . 30676 1 304 . 1 . 1 28 28 ARG N N 15 117.849 0.01 . . . . . . A 28 ARG N . 30676 1 305 . 1 . 1 29 29 TYR H H 1 7.467 0.00 . . . . . . A 29 TYR H . 30676 1 306 . 1 . 1 29 29 TYR HA H 1 4.517 0.01 . . . . . . A 29 TYR HA . 30676 1 307 . 1 . 1 29 29 TYR HB2 H 1 3.200 0.00 . . . . . . A 29 TYR HB2 . 30676 1 308 . 1 . 1 29 29 TYR HB3 H 1 3.026 0.01 . . . . . . A 29 TYR HB3 . 30676 1 309 . 1 . 1 29 29 TYR HD1 H 1 7.077 0.23 . . . . . . A 29 TYR HD1 . 30676 1 310 . 1 . 1 29 29 TYR HD2 H 1 7.307 0.00 . . . . . . A 29 TYR HD2 . 30676 1 311 . 1 . 1 29 29 TYR HE1 H 1 7.301 0.00 . . . . . . A 29 TYR HE1 . 30676 1 312 . 1 . 1 29 29 TYR C C 13 177.256 0.09 . . . . . . A 29 TYR C . 30676 1 313 . 1 . 1 29 29 TYR CA C 13 60.239 0.09 . . . . . . A 29 TYR CA . 30676 1 314 . 1 . 1 29 29 TYR CB C 13 40.617 0.06 . . . . . . A 29 TYR CB . 30676 1 315 . 1 . 1 29 29 TYR N N 15 113.820 0.01 . . . . . . A 29 TYR N . 30676 1 316 . 1 . 1 30 30 LEU H H 1 7.851 0.00 . . . . . . A 30 LEU H . 30676 1 317 . 1 . 1 30 30 LEU HA H 1 3.930 0.00 . . . . . . A 30 LEU HA . 30676 1 318 . 1 . 1 30 30 LEU HB2 H 1 1.459 0.00 . . . . . . A 30 LEU HB2 . 30676 1 319 . 1 . 1 30 30 LEU C C 13 173.361 0.16 . . . . . . A 30 LEU C . 30676 1 320 . 1 . 1 30 30 LEU CA C 13 59.685 0.16 . . . . . . A 30 LEU CA . 30676 1 321 . 1 . 1 30 30 LEU CB C 13 40.472 0.16 . . . . . . A 30 LEU CB . 30676 1 322 . 1 . 1 30 30 LEU N N 15 122.903 0.02 . . . . . . A 30 LEU N . 30676 1 323 . 1 . 1 31 31 PRO HA H 1 4.032 0.01 . . . . . . A 31 PRO HA . 30676 1 324 . 1 . 1 31 31 PRO HB2 H 1 2.396 0.00 . . . . . . A 31 PRO HB2 . 30676 1 325 . 1 . 1 31 31 PRO HB3 H 1 2.225 0.00 . . . . . . A 31 PRO HB3 . 30676 1 326 . 1 . 1 31 31 PRO HG2 H 1 1.949 0.00 . . . . . . A 31 PRO HG2 . 30676 1 327 . 1 . 1 31 31 PRO HG3 H 1 1.222 0.00 . . . . . . A 31 PRO HG3 . 30676 1 328 . 1 . 1 31 31 PRO HD2 H 1 3.450 0.00 . . . . . . A 31 PRO HD2 . 30676 1 329 . 1 . 1 31 31 PRO HD3 H 1 3.450 0.00 . . . . . . A 31 PRO HD3 . 30676 1 330 . 1 . 1 31 31 PRO C C 13 178.778 0.16 . . . . . . A 31 PRO C . 30676 1 331 . 1 . 1 31 31 PRO CA C 13 66.530 0.16 . . . . . . A 31 PRO CA . 30676 1 332 . 1 . 1 31 31 PRO CB C 13 31.384 0.00 . . . . . . A 31 PRO CB . 30676 1 333 . 1 . 1 31 31 PRO CG C 13 28.841 0.00 . . . . . . A 31 PRO CG . 30676 1 334 . 1 . 1 32 32 TYR H H 1 6.970 0.00 . . . . . . A 32 TYR H . 30676 1 335 . 1 . 1 32 32 TYR HA H 1 4.201 0.00 . . . . . . A 32 TYR HA . 30676 1 336 . 1 . 1 32 32 TYR HB2 H 1 3.078 0.00 . . . . . . A 32 TYR HB2 . 30676 1 337 . 1 . 1 32 32 TYR HB3 H 1 2.977 0.00 . . . . . . A 32 TYR HB3 . 30676 1 338 . 1 . 1 32 32 TYR HD1 H 1 6.890 0.00 . . . . . . A 32 TYR HD1 . 30676 1 339 . 1 . 1 32 32 TYR HE2 H 1 6.624 0.00 . . . . . . A 32 TYR HE2 . 30676 1 340 . 1 . 1 32 32 TYR C C 13 177.000 0.06 . . . . . . A 32 TYR C . 30676 1 341 . 1 . 1 32 32 TYR CA C 13 60.620 0.06 . . . . . . A 32 TYR CA . 30676 1 342 . 1 . 1 32 32 TYR CB C 13 38.623 0.04 . . . . . . A 32 TYR CB . 30676 1 343 . 1 . 1 32 32 TYR N N 15 114.656 0.02 . . . . . . A 32 TYR N . 30676 1 344 . 1 . 1 33 33 ALA H H 1 8.615 0.00 . . . . . . A 33 ALA H . 30676 1 345 . 1 . 1 33 33 ALA HA H 1 3.869 0.00 . . . . . . A 33 ALA HA . 30676 1 346 . 1 . 1 33 33 ALA HB1 H 1 1.221 0.00 . . . . . . A 33 ALA HB1 . 30676 1 347 . 1 . 1 33 33 ALA HB2 H 1 1.221 0.00 . . . . . . A 33 ALA HB2 . 30676 1 348 . 1 . 1 33 33 ALA HB3 H 1 1.221 0.00 . . . . . . A 33 ALA HB3 . 30676 1 349 . 1 . 1 33 33 ALA C C 13 178.928 0.03 . . . . . . A 33 ALA C . 30676 1 350 . 1 . 1 33 33 ALA CA C 13 55.129 0.03 . . . . . . A 33 ALA CA . 30676 1 351 . 1 . 1 33 33 ALA CB C 13 18.610 0.01 . . . . . . A 33 ALA CB . 30676 1 352 . 1 . 1 33 33 ALA N N 15 123.602 0.01 . . . . . . A 33 ALA N . 30676 1 353 . 1 . 1 34 34 LEU H H 1 8.520 0.03 . . . . . . A 34 LEU H . 30676 1 354 . 1 . 1 34 34 LEU HA H 1 4.095 0.03 . . . . . . A 34 LEU HA . 30676 1 355 . 1 . 1 34 34 LEU HB2 H 1 1.375 0.05 . . . . . . A 34 LEU HB2 . 30676 1 356 . 1 . 1 34 34 LEU HB3 H 1 1.334 0.02 . . . . . . A 34 LEU HB3 . 30676 1 357 . 1 . 1 34 34 LEU HG H 1 1.327 0.01 . . . . . . A 34 LEU HG . 30676 1 358 . 1 . 1 34 34 LEU HD11 H 1 0.640 0.00 . . . . . . A 34 LEU HD11 . 30676 1 359 . 1 . 1 34 34 LEU HD12 H 1 0.640 0.00 . . . . . . A 34 LEU HD12 . 30676 1 360 . 1 . 1 34 34 LEU HD13 H 1 0.640 0.00 . . . . . . A 34 LEU HD13 . 30676 1 361 . 1 . 1 34 34 LEU HD21 H 1 0.361 0.00 . . . . . . A 34 LEU HD21 . 30676 1 362 . 1 . 1 34 34 LEU HD22 H 1 0.361 0.00 . . . . . . A 34 LEU HD22 . 30676 1 363 . 1 . 1 34 34 LEU HD23 H 1 0.361 0.00 . . . . . . A 34 LEU HD23 . 30676 1 364 . 1 . 1 34 34 LEU C C 13 178.926 0.11 . . . . . . A 34 LEU C . 30676 1 365 . 1 . 1 34 34 LEU CA C 13 57.483 0.11 . . . . . . A 34 LEU CA . 30676 1 366 . 1 . 1 34 34 LEU CB C 13 41.884 0.04 . . . . . . A 34 LEU CB . 30676 1 367 . 1 . 1 34 34 LEU CG C 13 27.784 0.05 . . . . . . A 34 LEU CG . 30676 1 368 . 1 . 1 34 34 LEU CD1 C 13 30.026 11.21 . . . . . . A 34 LEU CD1 . 30676 1 369 . 1 . 1 34 34 LEU CD2 C 13 23.989 0.02 . . . . . . A 34 LEU CD2 . 30676 1 370 . 1 . 1 34 34 LEU N N 15 117.398 0.02 . . . . . . A 34 LEU N . 30676 1 371 . 1 . 1 35 35 SER H H 1 7.101 0.00 . . . . . . A 35 SER H . 30676 1 372 . 1 . 1 35 35 SER HA H 1 4.161 0.00 . . . . . . A 35 SER HA . 30676 1 373 . 1 . 1 35 35 SER C C 13 176.742 0.11 . . . . . . A 35 SER C . 30676 1 374 . 1 . 1 35 35 SER CA C 13 61.851 0.11 . . . . . . A 35 SER CA . 30676 1 375 . 1 . 1 35 35 SER CB C 13 62.921 0.11 . . . . . . A 35 SER CB . 30676 1 376 . 1 . 1 35 35 SER N N 15 118.093 0.00 . . . . . . A 35 SER N . 30676 1 377 . 1 . 1 36 36 LEU H H 1 8.229 0.01 . . . . . . A 36 LEU H . 30676 1 378 . 1 . 1 36 36 LEU HA H 1 4.208 0.06 . . . . . . A 36 LEU HA . 30676 1 379 . 1 . 1 36 36 LEU HB2 H 1 2.203 0.05 . . . . . . A 36 LEU HB2 . 30676 1 380 . 1 . 1 36 36 LEU HB3 H 1 1.931 0.20 . . . . . . A 36 LEU HB3 . 30676 1 381 . 1 . 1 36 36 LEU HG H 1 1.224 0.33 . . . . . . A 36 LEU HG . 30676 1 382 . 1 . 1 36 36 LEU HD11 H 1 1.056 0.08 . . . . . . A 36 LEU HD11 . 30676 1 383 . 1 . 1 36 36 LEU HD12 H 1 1.056 0.08 . . . . . . A 36 LEU HD12 . 30676 1 384 . 1 . 1 36 36 LEU HD13 H 1 1.056 0.08 . . . . . . A 36 LEU HD13 . 30676 1 385 . 1 . 1 36 36 LEU HD21 H 1 0.930 0.03 . . . . . . A 36 LEU HD21 . 30676 1 386 . 1 . 1 36 36 LEU HD22 H 1 0.930 0.03 . . . . . . A 36 LEU HD22 . 30676 1 387 . 1 . 1 36 36 LEU HD23 H 1 0.930 0.03 . . . . . . A 36 LEU HD23 . 30676 1 388 . 1 . 1 36 36 LEU C C 13 179.737 17.31 . . . . . . A 36 LEU C . 30676 1 389 . 1 . 1 36 36 LEU CA C 13 58.418 17.31 . . . . . . A 36 LEU CA . 30676 1 390 . 1 . 1 36 36 LEU CB C 13 41.209 0.00 . . . . . . A 36 LEU CB . 30676 1 391 . 1 . 1 36 36 LEU CG C 13 27.097 0.08 . . . . . . A 36 LEU CG . 30676 1 392 . 1 . 1 36 36 LEU CD1 C 13 24.113 0.05 . . . . . . A 36 LEU CD1 . 30676 1 393 . 1 . 1 36 36 LEU CD2 C 13 16.225 10.70 . . . . . . A 36 LEU CD2 . 30676 1 394 . 1 . 1 36 36 LEU N N 15 125.349 0.00 . . . . . . A 36 LEU N . 30676 1 395 . 1 . 1 37 37 TYR H H 1 9.024 0.01 . . . . . . A 37 TYR H . 30676 1 396 . 1 . 1 37 37 TYR HA H 1 4.580 0.01 . . . . . . A 37 TYR HA . 30676 1 397 . 1 . 1 37 37 TYR HB2 H 1 3.410 0.01 . . . . . . A 37 TYR HB2 . 30676 1 398 . 1 . 1 37 37 TYR HB3 H 1 3.033 0.01 . . . . . . A 37 TYR HB3 . 30676 1 399 . 1 . 1 37 37 TYR HD1 H 1 6.946 0.00 . . . . . . A 37 TYR HD1 . 30676 1 400 . 1 . 1 37 37 TYR C C 13 179.231 11.95 . . . . . . A 37 TYR C . 30676 1 401 . 1 . 1 37 37 TYR CA C 13 55.341 11.95 . . . . . . A 37 TYR CA . 30676 1 402 . 1 . 1 37 37 TYR CB C 13 38.624 0.00 . . . . . . A 37 TYR CB . 30676 1 403 . 1 . 1 37 37 TYR N N 15 120.480 0.02 . . . . . . A 37 TYR N . 30676 1 404 . 1 . 1 38 38 GLN H H 1 8.464 0.00 . . . . . . A 38 GLN H . 30676 1 405 . 1 . 1 38 38 GLN HA H 1 3.774 0.00 . . . . . . A 38 GLN HA . 30676 1 406 . 1 . 1 38 38 GLN HB2 H 1 2.080 0.00 . . . . . . A 38 GLN HB2 . 30676 1 407 . 1 . 1 38 38 GLN HB3 H 1 2.080 0.00 . . . . . . A 38 GLN HB3 . 30676 1 408 . 1 . 1 38 38 GLN HG2 H 1 2.181 0.00 . . . . . . A 38 GLN HG2 . 30676 1 409 . 1 . 1 38 38 GLN HG3 H 1 2.184 0.00 . . . . . . A 38 GLN HG3 . 30676 1 410 . 1 . 1 38 38 GLN HE21 H 1 7.672 0.50 . . . . . . A 38 GLN HE21 . 30676 1 411 . 1 . 1 38 38 GLN HE22 H 1 6.678 0.50 . . . . . . A 38 GLN HE22 . 30676 1 412 . 1 . 1 38 38 GLN C C 13 176.824 11.95 . . . . . . A 38 GLN C . 30676 1 413 . 1 . 1 38 38 GLN CA C 13 58.375 11.95 . . . . . . A 38 GLN CA . 30676 1 414 . 1 . 1 38 38 GLN CB C 13 28.098 11.95 . . . . . . A 38 GLN CB . 30676 1 415 . 1 . 1 38 38 GLN N N 15 116.794 0.01 . . . . . . A 38 GLN N . 30676 1 416 . 1 . 1 38 38 GLN NE2 N 15 108.120 0.00 . . . . . . A 38 GLN NE2 . 30676 1 417 . 1 . 1 39 39 GLY H H 1 7.947 0.00 . . . . . . A 39 GLY H . 30676 1 418 . 1 . 1 39 39 GLY HA2 H 1 4.133 0.02 . . . . . . A 39 GLY HA2 . 30676 1 419 . 1 . 1 39 39 GLY HA3 H 1 3.941 0.15 . . . . . . A 39 GLY HA3 . 30676 1 420 . 1 . 1 39 39 GLY C C 13 177.241 0.09 . . . . . . A 39 GLY C . 30676 1 421 . 1 . 1 39 39 GLY CA C 13 46.264 0.09 . . . . . . A 39 GLY CA . 30676 1 422 . 1 . 1 39 39 GLY N N 15 106.184 0.00 . . . . . . A 39 GLY N . 30676 1 423 . 1 . 1 40 40 SER H H 1 7.434 0.00 . . . . . . A 40 SER H . 30676 1 424 . 1 . 1 40 40 SER HA H 1 2.702 0.00 . . . . . . A 40 SER HA . 30676 1 425 . 1 . 1 40 40 SER HB2 H 1 4.015 0.00 . . . . . . A 40 SER HB2 . 30676 1 426 . 1 . 1 40 40 SER HB3 H 1 3.676 0.00 . . . . . . A 40 SER HB3 . 30676 1 427 . 1 . 1 40 40 SER C C 13 180.366 0.00 . . . . . . A 40 SER C . 30676 1 428 . 1 . 1 40 40 SER CA C 13 65.084 0.00 . . . . . . A 40 SER CA . 30676 1 429 . 1 . 1 40 40 SER CB C 13 61.375 10.48 . . . . . . A 40 SER CB . 30676 1 430 . 1 . 1 40 40 SER N N 15 113.278 0.02 . . . . . . A 40 SER N . 30676 1 431 . 1 . 1 41 41 SER H H 1 6.978 0.00 . . . . . . A 41 SER H . 30676 1 432 . 1 . 1 41 41 SER HA H 1 4.654 0.00 . . . . . . A 41 SER HA . 30676 1 433 . 1 . 1 41 41 SER HB2 H 1 3.736 0.01 . . . . . . A 41 SER HB2 . 30676 1 434 . 1 . 1 41 41 SER HB3 H 1 3.500 0.01 . . . . . . A 41 SER HB3 . 30676 1 435 . 1 . 1 41 41 SER C C 13 173.541 0.16 . . . . . . A 41 SER C . 30676 1 436 . 1 . 1 41 41 SER CA C 13 57.296 0.16 . . . . . . A 41 SER CA . 30676 1 437 . 1 . 1 41 41 SER CB C 13 66.107 0.01 . . . . . . A 41 SER CB . 30676 1 438 . 1 . 1 41 41 SER N N 15 112.932 0.02 . . . . . . A 41 SER N . 30676 1 439 . 1 . 1 42 42 ILE H H 1 9.003 0.00 . . . . . . A 42 ILE H . 30676 1 440 . 1 . 1 42 42 ILE HA H 1 4.674 0.00 . . . . . . A 42 ILE HA . 30676 1 441 . 1 . 1 42 42 ILE HB H 1 2.244 0.00 . . . . . . A 42 ILE HB . 30676 1 442 . 1 . 1 42 42 ILE HG12 H 1 1.700 0.02 . . . . . . A 42 ILE HG12 . 30676 1 443 . 1 . 1 42 42 ILE HG13 H 1 1.465 0.02 . . . . . . A 42 ILE HG13 . 30676 1 444 . 1 . 1 42 42 ILE HG21 H 1 1.085 0.01 . . . . . . A 42 ILE HG21 . 30676 1 445 . 1 . 1 42 42 ILE HG22 H 1 1.085 0.01 . . . . . . A 42 ILE HG22 . 30676 1 446 . 1 . 1 42 42 ILE HG23 H 1 1.085 0.01 . . . . . . A 42 ILE HG23 . 30676 1 447 . 1 . 1 42 42 ILE HD11 H 1 1.177 0.28 . . . . . . A 42 ILE HD11 . 30676 1 448 . 1 . 1 42 42 ILE HD12 H 1 1.177 0.28 . . . . . . A 42 ILE HD12 . 30676 1 449 . 1 . 1 42 42 ILE HD13 H 1 1.177 0.28 . . . . . . A 42 ILE HD13 . 30676 1 450 . 1 . 1 42 42 ILE C C 13 171.295 0.08 . . . . . . A 42 ILE C . 30676 1 451 . 1 . 1 42 42 ILE CA C 13 60.303 0.08 . . . . . . A 42 ILE CA . 30676 1 452 . 1 . 1 42 42 ILE CB C 13 41.761 0.07 . . . . . . A 42 ILE CB . 30676 1 453 . 1 . 1 42 42 ILE CG1 C 13 29.257 0.04 . . . . . . A 42 ILE CG1 . 30676 1 454 . 1 . 1 42 42 ILE CG2 C 13 17.505 0.02 . . . . . . A 42 ILE CG2 . 30676 1 455 . 1 . 1 42 42 ILE CD1 C 13 14.863 0.00 . . . . . . A 42 ILE CD1 . 30676 1 456 . 1 . 1 42 42 ILE N N 15 120.303 0.11 . . . . . . A 42 ILE N . 30676 1 457 . 1 . 1 43 43 GLU H H 1 7.645 0.05 . . . . . . A 43 GLU H . 30676 1 458 . 1 . 1 43 43 GLU HA H 1 5.089 0.01 . . . . . . A 43 GLU HA . 30676 1 459 . 1 . 1 43 43 GLU HB2 H 1 2.127 0.00 . . . . . . A 43 GLU HB2 . 30676 1 460 . 1 . 1 43 43 GLU HB3 H 1 1.999 0.01 . . . . . . A 43 GLU HB3 . 30676 1 461 . 1 . 1 43 43 GLU HG2 H 1 2.324 0.02 . . . . . . A 43 GLU HG2 . 30676 1 462 . 1 . 1 43 43 GLU HG3 H 1 2.324 0.02 . . . . . . A 43 GLU HG3 . 30676 1 463 . 1 . 1 43 43 GLU C C 13 175.025 0.03 . . . . . . A 43 GLU C . 30676 1 464 . 1 . 1 43 43 GLU CA C 13 54.430 0.03 . . . . . . A 43 GLU CA . 30676 1 465 . 1 . 1 43 43 GLU CB C 13 31.945 0.00 . . . . . . A 43 GLU CB . 30676 1 466 . 1 . 1 43 43 GLU CG C 13 36.387 0.00 . . . . . . A 43 GLU CG . 30676 1 467 . 1 . 1 43 43 GLU N N 15 124.129 0.02 . . . . . . A 43 GLU N . 30676 1 468 . 1 . 1 44 44 GLY H H 1 7.030 0.02 . . . . . . A 44 GLY H . 30676 1 469 . 1 . 1 44 44 GLY HA2 H 1 4.280 0.00 . . . . . . A 44 GLY HA2 . 30676 1 470 . 1 . 1 44 44 GLY HA3 H 1 3.250 0.01 . . . . . . A 44 GLY HA3 . 30676 1 471 . 1 . 1 44 44 GLY C C 13 172.981 0.06 . . . . . . A 44 GLY C . 30676 1 472 . 1 . 1 44 44 GLY CA C 13 44.958 0.06 . . . . . . A 44 GLY CA . 30676 1 473 . 1 . 1 44 44 GLY N N 15 108.901 0.01 . . . . . . A 44 GLY N . 30676 1 474 . 1 . 1 45 45 SER H H 1 8.361 0.00 . . . . . . A 45 SER H . 30676 1 475 . 1 . 1 45 45 SER HA H 1 4.853 0.02 . . . . . . A 45 SER HA . 30676 1 476 . 1 . 1 45 45 SER HB2 H 1 3.684 0.00 . . . . . . A 45 SER HB2 . 30676 1 477 . 1 . 1 45 45 SER HB3 H 1 3.590 0.01 . . . . . . A 45 SER HB3 . 30676 1 478 . 1 . 1 45 45 SER C C 13 172.214 0.08 . . . . . . A 45 SER C . 30676 1 479 . 1 . 1 45 45 SER CA C 13 57.103 0.08 . . . . . . A 45 SER CA . 30676 1 480 . 1 . 1 45 45 SER CB C 13 61.876 9.47 . . . . . . A 45 SER CB . 30676 1 481 . 1 . 1 45 45 SER N N 15 115.846 0.01 . . . . . . A 45 SER N . 30676 1 482 . 1 . 1 46 46 ARG H H 1 9.705 0.01 . . . . . . A 46 ARG H . 30676 1 483 . 1 . 1 46 46 ARG HA H 1 5.193 0.00 . . . . . . A 46 ARG HA . 30676 1 484 . 1 . 1 46 46 ARG HB2 H 1 2.086 0.00 . . . . . . A 46 ARG HB2 . 30676 1 485 . 1 . 1 46 46 ARG HB3 H 1 1.767 0.00 . . . . . . A 46 ARG HB3 . 30676 1 486 . 1 . 1 46 46 ARG HG2 H 1 1.449 0.01 . . . . . . A 46 ARG HG2 . 30676 1 487 . 1 . 1 46 46 ARG HG3 H 1 1.447 0.01 . . . . . . A 46 ARG HG3 . 30676 1 488 . 1 . 1 46 46 ARG HD2 H 1 2.512 0.01 . . . . . . A 46 ARG HD2 . 30676 1 489 . 1 . 1 46 46 ARG HD3 H 1 2.413 0.04 . . . . . . A 46 ARG HD3 . 30676 1 490 . 1 . 1 46 46 ARG C C 13 175.741 0.05 . . . . . . A 46 ARG C . 30676 1 491 . 1 . 1 46 46 ARG CA C 13 54.715 0.05 . . . . . . A 46 ARG CA . 30676 1 492 . 1 . 1 46 46 ARG CB C 13 31.994 0.00 . . . . . . A 46 ARG CB . 30676 1 493 . 1 . 1 46 46 ARG CG C 13 27.048 0.00 . . . . . . A 46 ARG CG . 30676 1 494 . 1 . 1 46 46 ARG CD C 13 43.930 0.03 . . . . . . A 46 ARG CD . 30676 1 495 . 1 . 1 46 46 ARG N N 15 126.948 0.02 . . . . . . A 46 ARG N . 30676 1 496 . 1 . 1 47 47 ALA H H 1 8.590 0.02 . . . . . . A 47 ALA H . 30676 1 497 . 1 . 1 47 47 ALA HA H 1 4.154 0.76 . . . . . . A 47 ALA HA . 30676 1 498 . 1 . 1 47 47 ALA HB1 H 1 1.377 0.06 . . . . . . A 47 ALA HB1 . 30676 1 499 . 1 . 1 47 47 ALA HB2 H 1 1.377 0.06 . . . . . . A 47 ALA HB2 . 30676 1 500 . 1 . 1 47 47 ALA HB3 H 1 1.377 0.06 . . . . . . A 47 ALA HB3 . 30676 1 501 . 1 . 1 47 47 ALA C C 13 177.003 1.04 . . . . . . A 47 ALA C . 30676 1 502 . 1 . 1 47 47 ALA CA C 13 51.882 1.04 . . . . . . A 47 ALA CA . 30676 1 503 . 1 . 1 47 47 ALA CB C 13 18.644 0.10 . . . . . . A 47 ALA CB . 30676 1 504 . 1 . 1 47 47 ALA N N 15 130.821 0.01 . . . . . . A 47 ALA N . 30676 1 505 . 1 . 1 48 48 VAL H H 1 8.271 0.00 . . . . . . A 48 VAL H . 30676 1 506 . 1 . 1 48 48 VAL HA H 1 4.113 0.01 . . . . . . A 48 VAL HA . 30676 1 507 . 1 . 1 48 48 VAL HB H 1 1.845 0.00 . . . . . . A 48 VAL HB . 30676 1 508 . 1 . 1 48 48 VAL HG11 H 1 0.767 0.01 . . . . . . A 48 VAL HG11 . 30676 1 509 . 1 . 1 48 48 VAL HG12 H 1 0.767 0.01 . . . . . . A 48 VAL HG12 . 30676 1 510 . 1 . 1 48 48 VAL HG13 H 1 0.767 0.01 . . . . . . A 48 VAL HG13 . 30676 1 511 . 1 . 1 48 48 VAL HG21 H 1 0.787 0.01 . . . . . . A 48 VAL HG21 . 30676 1 512 . 1 . 1 48 48 VAL HG22 H 1 0.787 0.01 . . . . . . A 48 VAL HG22 . 30676 1 513 . 1 . 1 48 48 VAL HG23 H 1 0.787 0.01 . . . . . . A 48 VAL HG23 . 30676 1 514 . 1 . 1 48 48 VAL C C 13 176.057 0.06 . . . . . . A 48 VAL C . 30676 1 515 . 1 . 1 48 48 VAL CA C 13 61.158 0.06 . . . . . . A 48 VAL CA . 30676 1 516 . 1 . 1 48 48 VAL CB C 13 34.148 0.02 . . . . . . A 48 VAL CB . 30676 1 517 . 1 . 1 48 48 VAL CG1 C 13 20.687 0.00 . . . . . . A 48 VAL CG1 . 30676 1 518 . 1 . 1 48 48 VAL CG2 C 13 20.106 0.00 . . . . . . A 48 VAL CG2 . 30676 1 519 . 1 . 1 48 48 VAL N N 15 122.568 0.00 . . . . . . A 48 VAL N . 30676 1 520 . 1 . 1 49 49 GLU H H 1 8.754 0.00 . . . . . . A 49 GLU H . 30676 1 521 . 1 . 1 49 49 GLU HA H 1 4.121 0.00 . . . . . . A 49 GLU HA . 30676 1 522 . 1 . 1 49 49 GLU HB2 H 1 1.981 0.00 . . . . . . A 49 GLU HB2 . 30676 1 523 . 1 . 1 49 49 GLU HB3 H 1 1.980 0.00 . . . . . . A 49 GLU HB3 . 30676 1 524 . 1 . 1 49 49 GLU HG2 H 1 2.270 0.01 . . . . . . A 49 GLU HG2 . 30676 1 525 . 1 . 1 49 49 GLU HG3 H 1 2.270 0.00 . . . . . . A 49 GLU HG3 . 30676 1 526 . 1 . 1 49 49 GLU C C 13 177.845 0.04 . . . . . . A 49 GLU C . 30676 1 527 . 1 . 1 49 49 GLU CA C 13 57.790 0.04 . . . . . . A 49 GLU CA . 30676 1 528 . 1 . 1 49 49 GLU CB C 13 28.982 0.12 . . . . . . A 49 GLU CB . 30676 1 529 . 1 . 1 49 49 GLU CG C 13 35.921 0.04 . . . . . . A 49 GLU CG . 30676 1 530 . 1 . 1 49 49 GLU N N 15 127.026 0.01 . . . . . . A 49 GLU N . 30676 1 531 . 1 . 1 50 50 GLY H H 1 8.947 0.00 . . . . . . A 50 GLY H . 30676 1 532 . 1 . 1 50 50 GLY HA2 H 1 4.119 0.00 . . . . . . A 50 GLY HA2 . 30676 1 533 . 1 . 1 50 50 GLY HA3 H 1 3.841 0.02 . . . . . . A 50 GLY HA3 . 30676 1 534 . 1 . 1 50 50 GLY C C 13 174.232 0.04 . . . . . . A 50 GLY C . 30676 1 535 . 1 . 1 50 50 GLY CA C 13 45.650 0.04 . . . . . . A 50 GLY CA . 30676 1 536 . 1 . 1 50 50 GLY N N 15 114.079 0.00 . . . . . . A 50 GLY N . 30676 1 537 . 1 . 1 51 51 GLY H H 1 7.823 0.00 . . . . . . A 51 GLY H . 30676 1 538 . 1 . 1 51 51 GLY HA2 H 1 4.470 0.00 . . . . . . A 51 GLY HA2 . 30676 1 539 . 1 . 1 51 51 GLY HA3 H 1 3.672 0.01 . . . . . . A 51 GLY HA3 . 30676 1 540 . 1 . 1 51 51 GLY C C 13 172.234 0.06 . . . . . . A 51 GLY C . 30676 1 541 . 1 . 1 51 51 GLY CA C 13 44.162 0.06 . . . . . . A 51 GLY CA . 30676 1 542 . 1 . 1 51 51 GLY N N 15 107.471 0.01 . . . . . . A 51 GLY N . 30676 1 543 . 1 . 1 52 52 ALA H H 1 8.242 0.00 . . . . . . A 52 ALA H . 30676 1 544 . 1 . 1 52 52 ALA HB1 H 1 1.400 0.00 . . . . . . A 52 ALA HB1 . 30676 1 545 . 1 . 1 52 52 ALA HB2 H 1 1.400 0.00 . . . . . . A 52 ALA HB2 . 30676 1 546 . 1 . 1 52 52 ALA HB3 H 1 1.400 0.00 . . . . . . A 52 ALA HB3 . 30676 1 547 . 1 . 1 52 52 ALA C C 13 174.898 0.00 . . . . . . A 52 ALA C . 30676 1 548 . 1 . 1 52 52 ALA CA C 13 50.093 0.00 . . . . . . A 52 ALA CA . 30676 1 549 . 1 . 1 52 52 ALA CB C 13 18.175 0.00 . . . . . . A 52 ALA CB . 30676 1 550 . 1 . 1 52 52 ALA N N 15 124.998 0.01 . . . . . . A 52 ALA N . 30676 1 551 . 1 . 1 53 53 PRO HA H 1 4.862 0.00 . . . . . . A 53 PRO HA . 30676 1 552 . 1 . 1 53 53 PRO HB2 H 1 2.166 0.00 . . . . . . A 53 PRO HB2 . 30676 1 553 . 1 . 1 53 53 PRO HB3 H 1 2.064 0.00 . . . . . . A 53 PRO HB3 . 30676 1 554 . 1 . 1 53 53 PRO HG2 H 1 1.800 0.00 . . . . . . A 53 PRO HG2 . 30676 1 555 . 1 . 1 53 53 PRO HG3 H 1 1.798 0.00 . . . . . . A 53 PRO HG3 . 30676 1 556 . 1 . 1 53 53 PRO HD2 H 1 3.897 0.00 . . . . . . A 53 PRO HD2 . 30676 1 557 . 1 . 1 53 53 PRO HD3 H 1 3.695 0.00 . . . . . . A 53 PRO HD3 . 30676 1 558 . 1 . 1 53 53 PRO C C 13 177.104 0.00 . . . . . . A 53 PRO C . 30676 1 559 . 1 . 1 53 53 PRO CA C 13 62.687 0.00 . . . . . . A 53 PRO CA . 30676 1 560 . 1 . 1 53 53 PRO CB C 13 32.434 0.00 . . . . . . A 53 PRO CB . 30676 1 561 . 1 . 1 53 53 PRO CG C 13 27.303 0.00 . . . . . . A 53 PRO CG . 30676 1 562 . 1 . 1 53 53 PRO CD C 13 49.982 0.00 . . . . . . A 53 PRO CD . 30676 1 563 . 1 . 1 54 54 ILE H H 1 8.752 0.00 . . . . . . A 54 ILE H . 30676 1 564 . 1 . 1 54 54 ILE HA H 1 4.626 0.00 . . . . . . A 54 ILE HA . 30676 1 565 . 1 . 1 54 54 ILE HB H 1 1.867 0.00 . . . . . . A 54 ILE HB . 30676 1 566 . 1 . 1 54 54 ILE HG12 H 1 1.471 0.29 . . . . . . A 54 ILE HG12 . 30676 1 567 . 1 . 1 54 54 ILE HG13 H 1 1.181 0.05 . . . . . . A 54 ILE HG13 . 30676 1 568 . 1 . 1 54 54 ILE HG21 H 1 1.069 0.19 . . . . . . A 54 ILE HG21 . 30676 1 569 . 1 . 1 54 54 ILE HG22 H 1 1.069 0.19 . . . . . . A 54 ILE HG22 . 30676 1 570 . 1 . 1 54 54 ILE HG23 H 1 1.069 0.19 . . . . . . A 54 ILE HG23 . 30676 1 571 . 1 . 1 54 54 ILE HD11 H 1 0.759 0.00 . . . . . . A 54 ILE HD11 . 30676 1 572 . 1 . 1 54 54 ILE HD12 H 1 0.759 0.00 . . . . . . A 54 ILE HD12 . 30676 1 573 . 1 . 1 54 54 ILE HD13 H 1 0.759 0.00 . . . . . . A 54 ILE HD13 . 30676 1 574 . 1 . 1 54 54 ILE C C 13 175.996 0.07 . . . . . . A 54 ILE C . 30676 1 575 . 1 . 1 54 54 ILE CA C 13 59.898 0.07 . . . . . . A 54 ILE CA . 30676 1 576 . 1 . 1 54 54 ILE CB C 13 40.917 0.05 . . . . . . A 54 ILE CB . 30676 1 577 . 1 . 1 54 54 ILE CG1 C 13 26.989 0.01 . . . . . . A 54 ILE CG1 . 30676 1 578 . 1 . 1 54 54 ILE CG2 C 13 17.979 0.00 . . . . . . A 54 ILE CG2 . 30676 1 579 . 1 . 1 54 54 ILE CD1 C 13 13.310 0.01 . . . . . . A 54 ILE CD1 . 30676 1 580 . 1 . 1 54 54 ILE N N 15 122.179 0.01 . . . . . . A 54 ILE N . 30676 1 581 . 1 . 1 55 55 SER H H 1 9.108 0.00 . . . . . . A 55 SER H . 30676 1 582 . 1 . 1 55 55 SER HA H 1 4.921 0.00 . . . . . . A 55 SER HA . 30676 1 583 . 1 . 1 55 55 SER HB2 H 1 4.159 0.01 . . . . . . A 55 SER HB2 . 30676 1 584 . 1 . 1 55 55 SER HB3 H 1 4.101 0.01 . . . . . . A 55 SER HB3 . 30676 1 585 . 1 . 1 55 55 SER C C 13 173.996 10.47 . . . . . . A 55 SER C . 30676 1 586 . 1 . 1 55 55 SER CA C 13 55.012 10.47 . . . . . . A 55 SER CA . 30676 1 587 . 1 . 1 55 55 SER CB C 13 64.516 0.06 . . . . . . A 55 SER CB . 30676 1 588 . 1 . 1 55 55 SER N N 15 124.942 0.00 . . . . . . A 55 SER N . 30676 1 589 . 1 . 1 56 56 PHE H H 1 8.498 0.00 . . . . . . A 56 PHE H . 30676 1 590 . 1 . 1 56 56 PHE HA H 1 5.885 0.00 . . . . . . A 56 PHE HA . 30676 1 591 . 1 . 1 56 56 PHE HB2 H 1 3.027 0.03 . . . . . . A 56 PHE HB2 . 30676 1 592 . 1 . 1 56 56 PHE HB3 H 1 2.703 0.00 . . . . . . A 56 PHE HB3 . 30676 1 593 . 1 . 1 56 56 PHE HD1 H 1 7.246 0.14 . . . . . . A 56 PHE HD1 . 30676 1 594 . 1 . 1 56 56 PHE HD2 H 1 7.450 0.00 . . . . . . A 56 PHE HD2 . 30676 1 595 . 1 . 1 56 56 PHE C C 13 174.135 0.09 . . . . . . A 56 PHE C . 30676 1 596 . 1 . 1 56 56 PHE CA C 13 56.812 0.09 . . . . . . A 56 PHE CA . 30676 1 597 . 1 . 1 56 56 PHE CB C 13 43.863 0.10 . . . . . . A 56 PHE CB . 30676 1 598 . 1 . 1 56 56 PHE N N 15 117.055 0.01 . . . . . . A 56 PHE N . 30676 1 599 . 1 . 1 57 57 VAL H H 1 8.413 0.00 . . . . . . A 57 VAL H . 30676 1 600 . 1 . 1 57 57 VAL HA H 1 4.702 0.01 . . . . . . A 57 VAL HA . 30676 1 601 . 1 . 1 57 57 VAL HB H 1 2.126 0.00 . . . . . . A 57 VAL HB . 30676 1 602 . 1 . 1 57 57 VAL HG11 H 1 0.944 0.20 . . . . . . A 57 VAL HG11 . 30676 1 603 . 1 . 1 57 57 VAL HG12 H 1 0.944 0.20 . . . . . . A 57 VAL HG12 . 30676 1 604 . 1 . 1 57 57 VAL HG13 H 1 0.944 0.20 . . . . . . A 57 VAL HG13 . 30676 1 605 . 1 . 1 57 57 VAL HG21 H 1 1.072 0.53 . . . . . . A 57 VAL HG21 . 30676 1 606 . 1 . 1 57 57 VAL HG22 H 1 1.072 0.53 . . . . . . A 57 VAL HG22 . 30676 1 607 . 1 . 1 57 57 VAL HG23 H 1 1.072 0.53 . . . . . . A 57 VAL HG23 . 30676 1 608 . 1 . 1 57 57 VAL C C 13 175.087 0.00 . . . . . . A 57 VAL C . 30676 1 609 . 1 . 1 57 57 VAL CA C 13 62.513 0.00 . . . . . . A 57 VAL CA . 30676 1 610 . 1 . 1 57 57 VAL CB C 13 35.129 0.00 . . . . . . A 57 VAL CB . 30676 1 611 . 1 . 1 57 57 VAL CG2 C 13 20.585 0.01 . . . . . . A 57 VAL CG2 . 30676 1 612 . 1 . 1 57 57 VAL N N 15 118.928 0.02 . . . . . . A 57 VAL N . 30676 1 613 . 1 . 1 58 58 ALA H H 1 9.587 0.00 . . . . . . A 58 ALA H . 30676 1 614 . 1 . 1 58 58 ALA HA H 1 6.166 0.04 . . . . . . A 58 ALA HA . 30676 1 615 . 1 . 1 58 58 ALA HB1 H 1 1.984 0.01 . . . . . . A 58 ALA HB1 . 30676 1 616 . 1 . 1 58 58 ALA HB2 H 1 1.984 0.01 . . . . . . A 58 ALA HB2 . 30676 1 617 . 1 . 1 58 58 ALA HB3 H 1 1.984 0.01 . . . . . . A 58 ALA HB3 . 30676 1 618 . 1 . 1 58 58 ALA C C 13 175.462 0.03 . . . . . . A 58 ALA C . 30676 1 619 . 1 . 1 58 58 ALA CA C 13 50.108 0.03 . . . . . . A 58 ALA CA . 30676 1 620 . 1 . 1 58 58 ALA CB C 13 22.133 0.03 . . . . . . A 58 ALA CB . 30676 1 621 . 1 . 1 58 58 ALA N N 15 132.880 0.00 . . . . . . A 58 ALA N . 30676 1 622 . 1 . 1 59 59 THR H H 1 5.173 4.50 . . . . . . A 59 THR H . 30676 1 623 . 1 . 1 59 59 THR HA H 1 4.992 0.00 . . . . . . A 59 THR HA . 30676 1 624 . 1 . 1 59 59 THR HB H 1 4.085 0.00 . . . . . . A 59 THR HB . 30676 1 625 . 1 . 1 59 59 THR HG21 H 1 1.173 0.00 . . . . . . A 59 THR HG21 . 30676 1 626 . 1 . 1 59 59 THR HG22 H 1 1.173 0.00 . . . . . . A 59 THR HG22 . 30676 1 627 . 1 . 1 59 59 THR HG23 H 1 1.173 0.00 . . . . . . A 59 THR HG23 . 30676 1 628 . 1 . 1 59 59 THR C C 13 172.961 0.00 . . . . . . A 59 THR C . 30676 1 629 . 1 . 1 59 59 THR CA C 13 60.073 0.00 . . . . . . A 59 THR CA . 30676 1 630 . 1 . 1 59 59 THR CB C 13 71.760 0.00 . . . . . . A 59 THR CB . 30676 1 631 . 1 . 1 59 59 THR CG2 C 13 21.463 0.04 . . . . . . A 59 THR CG2 . 30676 1 632 . 1 . 1 59 59 THR N N 15 115.940 0.00 . . . . . . A 59 THR N . 30676 1 633 . 1 . 1 60 60 TRP H H 1 8.220 0.02 . . . . . . A 60 TRP H . 30676 1 634 . 1 . 1 60 60 TRP HA H 1 6.033 0.01 . . . . . . A 60 TRP HA . 30676 1 635 . 1 . 1 60 60 TRP HB2 H 1 3.393 0.00 . . . . . . A 60 TRP HB2 . 30676 1 636 . 1 . 1 60 60 TRP HB3 H 1 3.262 0.00 . . . . . . A 60 TRP HB3 . 30676 1 637 . 1 . 1 60 60 TRP HD1 H 1 5.720 0.65 . . . . . . A 60 TRP HD1 . 30676 1 638 . 1 . 1 60 60 TRP HE1 H 1 11.234 0.00 . . . . . . A 60 TRP HE1 . 30676 1 639 . 1 . 1 60 60 TRP C C 13 175.365 0.04 . . . . . . A 60 TRP C . 30676 1 640 . 1 . 1 60 60 TRP CA C 13 56.131 0.04 . . . . . . A 60 TRP CA . 30676 1 641 . 1 . 1 60 60 TRP CB C 13 29.942 0.09 . . . . . . A 60 TRP CB . 30676 1 642 . 1 . 1 60 60 TRP N N 15 121.142 0.14 . . . . . . A 60 TRP N . 30676 1 643 . 1 . 1 60 60 TRP NE1 N 15 132.116 0.00 . . . . . . A 60 TRP NE1 . 30676 1 644 . 1 . 1 61 61 THR H H 1 7.603 0.05 . . . . . . A 61 THR H . 30676 1 645 . 1 . 1 61 61 THR HA H 1 4.475 0.04 . . . . . . A 61 THR HA . 30676 1 646 . 1 . 1 61 61 THR HB H 1 4.393 0.00 . . . . . . A 61 THR HB . 30676 1 647 . 1 . 1 61 61 THR HG21 H 1 1.406 0.00 . . . . . . A 61 THR HG21 . 30676 1 648 . 1 . 1 61 61 THR HG22 H 1 1.406 0.00 . . . . . . A 61 THR HG22 . 30676 1 649 . 1 . 1 61 61 THR HG23 H 1 1.406 0.00 . . . . . . A 61 THR HG23 . 30676 1 650 . 1 . 1 61 61 THR C C 13 174.273 14.11 . . . . . . A 61 THR C . 30676 1 651 . 1 . 1 61 61 THR CA C 13 50.295 14.11 . . . . . . A 61 THR CA . 30676 1 652 . 1 . 1 61 61 THR CB C 13 70.419 0.29 . . . . . . A 61 THR CB . 30676 1 653 . 1 . 1 61 61 THR CG2 C 13 23.355 0.07 . . . . . . A 61 THR CG2 . 30676 1 654 . 1 . 1 61 61 THR N N 15 109.989 0.03 . . . . . . A 61 THR N . 30676 1 655 . 1 . 1 62 62 VAL H H 1 8.351 0.00 . . . . . . A 62 VAL H . 30676 1 656 . 1 . 1 62 62 VAL HA H 1 4.573 0.00 . . . . . . A 62 VAL HA . 30676 1 657 . 1 . 1 62 62 VAL HB H 1 1.928 0.02 . . . . . . A 62 VAL HB . 30676 1 658 . 1 . 1 62 62 VAL HG11 H 1 0.943 0.03 . . . . . . A 62 VAL HG11 . 30676 1 659 . 1 . 1 62 62 VAL HG12 H 1 0.943 0.03 . . . . . . A 62 VAL HG12 . 30676 1 660 . 1 . 1 62 62 VAL HG13 H 1 0.943 0.03 . . . . . . A 62 VAL HG13 . 30676 1 661 . 1 . 1 62 62 VAL HG21 H 1 0.724 0.00 . . . . . . A 62 VAL HG21 . 30676 1 662 . 1 . 1 62 62 VAL HG22 H 1 0.724 0.00 . . . . . . A 62 VAL HG22 . 30676 1 663 . 1 . 1 62 62 VAL HG23 H 1 0.724 0.00 . . . . . . A 62 VAL HG23 . 30676 1 664 . 1 . 1 62 62 VAL C C 13 176.668 12.96 . . . . . . A 62 VAL C . 30676 1 665 . 1 . 1 62 62 VAL CA C 13 54.706 12.96 . . . . . . A 62 VAL CA . 30676 1 666 . 1 . 1 62 62 VAL CB C 13 32.683 0.02 . . . . . . A 62 VAL CB . 30676 1 667 . 1 . 1 62 62 VAL CG1 C 13 21.162 0.08 . . . . . . A 62 VAL CG1 . 30676 1 668 . 1 . 1 62 62 VAL CG2 C 13 27.350 12.01 . . . . . . A 62 VAL CG2 . 30676 1 669 . 1 . 1 62 62 VAL N N 15 122.529 0.01 . . . . . . A 62 VAL N . 30676 1 670 . 1 . 1 63 63 THR H H 1 9.688 0.05 . . . . . . A 63 THR H . 30676 1 671 . 1 . 1 63 63 THR HA H 1 4.854 0.04 . . . . . . A 63 THR HA . 30676 1 672 . 1 . 1 63 63 THR HG21 H 1 1.258 0.00 . . . . . . A 63 THR HG21 . 30676 1 673 . 1 . 1 63 63 THR HG22 H 1 1.258 0.00 . . . . . . A 63 THR HG22 . 30676 1 674 . 1 . 1 63 63 THR HG23 H 1 1.258 0.00 . . . . . . A 63 THR HG23 . 30676 1 675 . 1 . 1 63 63 THR C C 13 175.346 14.11 . . . . . . A 63 THR C . 30676 1 676 . 1 . 1 63 63 THR CA C 13 58.455 14.11 . . . . . . A 63 THR CA . 30676 1 677 . 1 . 1 63 63 THR CB C 13 69.521 0.29 . . . . . . A 63 THR CB . 30676 1 678 . 1 . 1 63 63 THR N N 15 123.067 0.03 . . . . . . A 63 THR N . 30676 1 679 . 1 . 1 64 64 PRO HA H 1 4.538 0.00 . . . . . . A 64 PRO HA . 30676 1 680 . 1 . 1 64 64 PRO HB2 H 1 2.433 0.00 . . . . . . A 64 PRO HB2 . 30676 1 681 . 1 . 1 64 64 PRO HB3 H 1 2.276 0.00 . . . . . . A 64 PRO HB3 . 30676 1 682 . 1 . 1 64 64 PRO HG2 H 1 2.060 0.00 . . . . . . A 64 PRO HG2 . 30676 1 683 . 1 . 1 64 64 PRO HG3 H 1 2.063 0.00 . . . . . . A 64 PRO HG3 . 30676 1 684 . 1 . 1 64 64 PRO HD2 H 1 3.781 0.00 . . . . . . A 64 PRO HD2 . 30676 1 685 . 1 . 1 64 64 PRO HD3 H 1 3.781 0.00 . . . . . . A 64 PRO HD3 . 30676 1 686 . 1 . 1 64 64 PRO C C 13 179.355 0.04 . . . . . . A 64 PRO C . 30676 1 687 . 1 . 1 64 64 PRO CA C 13 67.146 0.04 . . . . . . A 64 PRO CA . 30676 1 688 . 1 . 1 64 64 PRO CB C 13 33.260 0.00 . . . . . . A 64 PRO CB . 30676 1 689 . 1 . 1 64 64 PRO CG C 13 27.637 0.00 . . . . . . A 64 PRO CG . 30676 1 690 . 1 . 1 64 64 PRO CD C 13 51.081 0.00 . . . . . . A 64 PRO CD . 30676 1 691 . 1 . 1 65 65 LEU H H 1 8.993 0.00 . . . . . . A 65 LEU H . 30676 1 692 . 1 . 1 65 65 LEU HA H 1 4.936 0.00 . . . . . . A 65 LEU HA . 30676 1 693 . 1 . 1 65 65 LEU HB2 H 1 1.608 0.05 . . . . . . A 65 LEU HB2 . 30676 1 694 . 1 . 1 65 65 LEU HB3 H 1 1.451 0.01 . . . . . . A 65 LEU HB3 . 30676 1 695 . 1 . 1 65 65 LEU HG H 1 1.450 0.05 . . . . . . A 65 LEU HG . 30676 1 696 . 1 . 1 65 65 LEU HD11 H 1 0.822 0.00 . . . . . . A 65 LEU HD11 . 30676 1 697 . 1 . 1 65 65 LEU HD12 H 1 0.822 0.00 . . . . . . A 65 LEU HD12 . 30676 1 698 . 1 . 1 65 65 LEU HD13 H 1 0.822 0.00 . . . . . . A 65 LEU HD13 . 30676 1 699 . 1 . 1 65 65 LEU HD21 H 1 0.827 0.00 . . . . . . A 65 LEU HD21 . 30676 1 700 . 1 . 1 65 65 LEU HD22 H 1 0.827 0.00 . . . . . . A 65 LEU HD22 . 30676 1 701 . 1 . 1 65 65 LEU HD23 H 1 0.827 0.00 . . . . . . A 65 LEU HD23 . 30676 1 702 . 1 . 1 65 65 LEU C C 13 177.471 0.06 . . . . . . A 65 LEU C . 30676 1 703 . 1 . 1 65 65 LEU CA C 13 52.910 0.06 . . . . . . A 65 LEU CA . 30676 1 704 . 1 . 1 65 65 LEU CB C 13 41.032 0.05 . . . . . . A 65 LEU CB . 30676 1 705 . 1 . 1 65 65 LEU N N 15 119.676 0.00 . . . . . . A 65 LEU N . 30676 1 706 . 1 . 1 66 66 PRO C C 13 175.772 0.00 . . . . . . A 66 PRO C . 30676 1 707 . 1 . 1 66 66 PRO CA C 13 64.662 0.00 . . . . . . A 66 PRO CA . 30676 1 708 . 1 . 1 67 67 ALA H H 1 7.447 0.01 . . . . . . A 67 ALA H . 30676 1 709 . 1 . 1 67 67 ALA HA H 1 4.611 0.00 . . . . . . A 67 ALA HA . 30676 1 710 . 1 . 1 67 67 ALA HB1 H 1 1.457 0.05 . . . . . . A 67 ALA HB1 . 30676 1 711 . 1 . 1 67 67 ALA HB2 H 1 1.457 0.05 . . . . . . A 67 ALA HB2 . 30676 1 712 . 1 . 1 67 67 ALA HB3 H 1 1.457 0.05 . . . . . . A 67 ALA HB3 . 30676 1 713 . 1 . 1 67 67 ALA C C 13 179.062 0.23 . . . . . . A 67 ALA C . 30676 1 714 . 1 . 1 67 67 ALA CA C 13 51.415 0.23 . . . . . . A 67 ALA CA . 30676 1 715 . 1 . 1 67 67 ALA CB C 13 18.858 0.04 . . . . . . A 67 ALA CB . 30676 1 716 . 1 . 1 67 67 ALA N N 15 112.370 0.18 . . . . . . A 67 ALA N . 30676 1 717 . 1 . 1 68 68 ASP H H 1 7.616 0.00 . . . . . . A 68 ASP H . 30676 1 718 . 1 . 1 68 68 ASP HA H 1 4.661 0.00 . . . . . . A 68 ASP HA . 30676 1 719 . 1 . 1 68 68 ASP HB2 H 1 3.021 0.00 . . . . . . A 68 ASP HB2 . 30676 1 720 . 1 . 1 68 68 ASP HB3 H 1 2.821 0.00 . . . . . . A 68 ASP HB3 . 30676 1 721 . 1 . 1 68 68 ASP C C 13 173.812 0.00 . . . . . . A 68 ASP C . 30676 1 722 . 1 . 1 68 68 ASP CA C 13 55.093 0.00 . . . . . . A 68 ASP CA . 30676 1 723 . 1 . 1 68 68 ASP CB C 13 41.944 0.00 . . . . . . A 68 ASP CB . 30676 1 724 . 1 . 1 68 68 ASP N N 15 119.587 0.01 . . . . . . A 68 ASP N . 30676 1 725 . 1 . 1 69 69 MET H H 1 8.307 0.00 . . . . . . A 69 MET H . 30676 1 726 . 1 . 1 69 69 MET HA H 1 4.974 0.01 . . . . . . A 69 MET HA . 30676 1 727 . 1 . 1 69 69 MET HB2 H 1 1.908 0.08 . . . . . . A 69 MET HB2 . 30676 1 728 . 1 . 1 69 69 MET HB3 H 1 1.676 0.01 . . . . . . A 69 MET HB3 . 30676 1 729 . 1 . 1 69 69 MET HG2 H 1 2.675 0.00 . . . . . . A 69 MET HG2 . 30676 1 730 . 1 . 1 69 69 MET HG3 H 1 2.569 0.02 . . . . . . A 69 MET HG3 . 30676 1 731 . 1 . 1 69 69 MET C C 13 177.750 0.06 . . . . . . A 69 MET C . 30676 1 732 . 1 . 1 69 69 MET CA C 13 53.529 0.06 . . . . . . A 69 MET CA . 30676 1 733 . 1 . 1 69 69 MET CB C 13 33.704 0.42 . . . . . . A 69 MET CB . 30676 1 734 . 1 . 1 69 69 MET CG C 13 32.791 0.07 . . . . . . A 69 MET CG . 30676 1 735 . 1 . 1 69 69 MET N N 15 113.989 0.05 . . . . . . A 69 MET N . 30676 1 736 . 1 . 1 70 70 THR H H 1 9.198 0.00 . . . . . . A 70 THR H . 30676 1 737 . 1 . 1 70 70 THR HA H 1 4.571 0.03 . . . . . . A 70 THR HA . 30676 1 738 . 1 . 1 70 70 THR HB H 1 4.495 0.00 . . . . . . A 70 THR HB . 30676 1 739 . 1 . 1 70 70 THR HG21 H 1 0.823 0.01 . . . . . . A 70 THR HG21 . 30676 1 740 . 1 . 1 70 70 THR HG22 H 1 0.823 0.01 . . . . . . A 70 THR HG22 . 30676 1 741 . 1 . 1 70 70 THR HG23 H 1 0.823 0.01 . . . . . . A 70 THR HG23 . 30676 1 742 . 1 . 1 70 70 THR C C 13 171.672 0.06 . . . . . . A 70 THR C . 30676 1 743 . 1 . 1 70 70 THR CA C 13 60.755 0.06 . . . . . . A 70 THR CA . 30676 1 744 . 1 . 1 70 70 THR CB C 13 69.611 0.31 . . . . . . A 70 THR CB . 30676 1 745 . 1 . 1 70 70 THR CG2 C 13 26.041 12.49 . . . . . . A 70 THR CG2 . 30676 1 746 . 1 . 1 70 70 THR N N 15 120.378 0.03 . . . . . . A 70 THR N . 30676 1 747 . 1 . 1 71 71 ARG H H 1 8.082 0.00 . . . . . . A 71 ARG H . 30676 1 748 . 1 . 1 71 71 ARG HA H 1 5.006 0.00 . . . . . . A 71 ARG HA . 30676 1 749 . 1 . 1 71 71 ARG HB2 H 1 1.607 0.01 . . . . . . A 71 ARG HB2 . 30676 1 750 . 1 . 1 71 71 ARG HB3 H 1 1.409 0.03 . . . . . . A 71 ARG HB3 . 30676 1 751 . 1 . 1 71 71 ARG HG2 H 1 1.162 0.04 . . . . . . A 71 ARG HG2 . 30676 1 752 . 1 . 1 71 71 ARG HG3 H 1 1.192 0.00 . . . . . . A 71 ARG HG3 . 30676 1 753 . 1 . 1 71 71 ARG HD2 H 1 3.365 0.00 . . . . . . A 71 ARG HD2 . 30676 1 754 . 1 . 1 71 71 ARG HD3 H 1 3.134 0.00 . . . . . . A 71 ARG HD3 . 30676 1 755 . 1 . 1 71 71 ARG C C 13 175.173 0.05 . . . . . . A 71 ARG C . 30676 1 756 . 1 . 1 71 71 ARG CA C 13 54.529 0.05 . . . . . . A 71 ARG CA . 30676 1 757 . 1 . 1 71 71 ARG CB C 13 31.676 0.07 . . . . . . A 71 ARG CB . 30676 1 758 . 1 . 1 71 71 ARG CG C 13 27.455 0.00 . . . . . . A 71 ARG CG . 30676 1 759 . 1 . 1 71 71 ARG CD C 13 43.113 0.00 . . . . . . A 71 ARG CD . 30676 1 760 . 1 . 1 71 71 ARG N N 15 128.207 0.01 . . . . . . A 71 ARG N . 30676 1 761 . 1 . 1 72 72 CYS H H 1 9.338 0.02 . . . . . . A 72 CYS H . 30676 1 762 . 1 . 1 72 72 CYS HA H 1 5.352 0.02 . . . . . . A 72 CYS HA . 30676 1 763 . 1 . 1 72 72 CYS HB2 H 1 2.772 0.00 . . . . . . A 72 CYS HB2 . 30676 1 764 . 1 . 1 72 72 CYS HB3 H 1 2.131 0.03 . . . . . . A 72 CYS HB3 . 30676 1 765 . 1 . 1 72 72 CYS C C 13 172.226 0.06 . . . . . . A 72 CYS C . 30676 1 766 . 1 . 1 72 72 CYS CA C 13 57.313 0.06 . . . . . . A 72 CYS CA . 30676 1 767 . 1 . 1 72 72 CYS N N 15 128.605 0.03 . . . . . . A 72 CYS N . 30676 1 768 . 1 . 1 73 73 HIS H H 1 10.055 0.00 . . . . . . A 73 HIS H . 30676 1 769 . 1 . 1 73 73 HIS HA H 1 5.523 0.00 . . . . . . A 73 HIS HA . 30676 1 770 . 1 . 1 73 73 HIS HB2 H 1 3.414 0.01 . . . . . . A 73 HIS HB2 . 30676 1 771 . 1 . 1 73 73 HIS HB3 H 1 3.149 0.05 . . . . . . A 73 HIS HB3 . 30676 1 772 . 1 . 1 73 73 HIS HD2 H 1 7.301 0.00 . . . . . . A 73 HIS HD2 . 30676 1 773 . 1 . 1 73 73 HIS C C 13 173.765 0.03 . . . . . . A 73 HIS C . 30676 1 774 . 1 . 1 73 73 HIS CA C 13 55.075 0.03 . . . . . . A 73 HIS CA . 30676 1 775 . 1 . 1 73 73 HIS CB C 13 31.764 0.04 . . . . . . A 73 HIS CB . 30676 1 776 . 1 . 1 73 73 HIS N N 15 129.810 0.00 . . . . . . A 73 HIS N . 30676 1 777 . 1 . 1 74 74 LEU H H 1 9.343 0.00 . . . . . . A 74 LEU H . 30676 1 778 . 1 . 1 74 74 LEU HA H 1 5.406 0.00 . . . . . . A 74 LEU HA . 30676 1 779 . 1 . 1 74 74 LEU HB2 H 1 1.481 0.05 . . . . . . A 74 LEU HB2 . 30676 1 780 . 1 . 1 74 74 LEU HB3 H 1 1.448 0.01 . . . . . . A 74 LEU HB3 . 30676 1 781 . 1 . 1 74 74 LEU HG H 1 1.546 0.05 . . . . . . A 74 LEU HG . 30676 1 782 . 1 . 1 74 74 LEU HD11 H 1 0.703 0.00 . . . . . . A 74 LEU HD11 . 30676 1 783 . 1 . 1 74 74 LEU HD12 H 1 0.703 0.00 . . . . . . A 74 LEU HD12 . 30676 1 784 . 1 . 1 74 74 LEU HD13 H 1 0.703 0.00 . . . . . . A 74 LEU HD13 . 30676 1 785 . 1 . 1 74 74 LEU HD21 H 1 0.405 0.00 . . . . . . A 74 LEU HD21 . 30676 1 786 . 1 . 1 74 74 LEU HD22 H 1 0.405 0.00 . . . . . . A 74 LEU HD22 . 30676 1 787 . 1 . 1 74 74 LEU HD23 H 1 0.405 0.00 . . . . . . A 74 LEU HD23 . 30676 1 788 . 1 . 1 74 74 LEU C C 13 174.462 0.06 . . . . . . A 74 LEU C . 30676 1 789 . 1 . 1 74 74 LEU CA C 13 54.509 0.06 . . . . . . A 74 LEU CA . 30676 1 790 . 1 . 1 74 74 LEU CB C 13 46.475 0.05 . . . . . . A 74 LEU CB . 30676 1 791 . 1 . 1 74 74 LEU CG C 13 29.121 1.58 . . . . . . A 74 LEU CG . 30676 1 792 . 1 . 1 74 74 LEU CD1 C 13 25.925 0.25 . . . . . . A 74 LEU CD1 . 30676 1 793 . 1 . 1 74 74 LEU CD2 C 13 25.404 0.02 . . . . . . A 74 LEU CD2 . 30676 1 794 . 1 . 1 74 74 LEU N N 15 127.500 0.00 . . . . . . A 74 LEU N . 30676 1 795 . 1 . 1 75 75 GLN H H 1 8.447 0.00 . . . . . . A 75 GLN H . 30676 1 796 . 1 . 1 75 75 GLN HA H 1 5.473 0.00 . . . . . . A 75 GLN HA . 30676 1 797 . 1 . 1 75 75 GLN HB2 H 1 1.894 0.01 . . . . . . A 75 GLN HB2 . 30676 1 798 . 1 . 1 75 75 GLN HB3 H 1 1.899 0.01 . . . . . . A 75 GLN HB3 . 30676 1 799 . 1 . 1 75 75 GLN HG2 H 1 2.477 0.01 . . . . . . A 75 GLN HG2 . 30676 1 800 . 1 . 1 75 75 GLN HG3 H 1 2.102 0.07 . . . . . . A 75 GLN HG3 . 30676 1 801 . 1 . 1 75 75 GLN HE21 H 1 7.276 0.16 . . . . . . A 75 GLN HE21 . 30676 1 802 . 1 . 1 75 75 GLN HE22 H 1 6.953 0.16 . . . . . . A 75 GLN HE22 . 30676 1 803 . 1 . 1 75 75 GLN CA C 13 54.309 0.04 . . . . . . A 75 GLN CA . 30676 1 804 . 1 . 1 75 75 GLN CG C 13 35.034 0.00 . . . . . . A 75 GLN CG . 30676 1 805 . 1 . 1 75 75 GLN N N 15 121.401 0.03 . . . . . . A 75 GLN N . 30676 1 806 . 1 . 1 75 75 GLN NE2 N 15 110.556 0.00 . . . . . . A 75 GLN NE2 . 30676 1 807 . 1 . 1 76 76 PHE H H 1 9.296 0.00 . . . . . . A 76 PHE H . 30676 1 808 . 1 . 1 76 76 PHE HA H 1 5.717 0.00 . . . . . . A 76 PHE HA . 30676 1 809 . 1 . 1 76 76 PHE HB2 H 1 3.396 0.00 . . . . . . A 76 PHE HB2 . 30676 1 810 . 1 . 1 76 76 PHE HB3 H 1 3.253 0.01 . . . . . . A 76 PHE HB3 . 30676 1 811 . 1 . 1 76 76 PHE HD1 H 1 7.136 0.00 . . . . . . A 76 PHE HD1 . 30676 1 812 . 1 . 1 76 76 PHE HD2 H 1 7.136 0.00 . . . . . . A 76 PHE HD2 . 30676 1 813 . 1 . 1 76 76 PHE C C 13 176.293 0.08 . . . . . . A 76 PHE C . 30676 1 814 . 1 . 1 76 76 PHE CA C 13 57.464 0.08 . . . . . . A 76 PHE CA . 30676 1 815 . 1 . 1 76 76 PHE CB C 13 40.575 0.05 . . . . . . A 76 PHE CB . 30676 1 816 . 1 . 1 76 76 PHE N N 15 128.852 0.02 . . . . . . A 76 PHE N . 30676 1 817 . 1 . 1 77 77 ASN H H 1 9.504 0.00 . . . . . . A 77 ASN H . 30676 1 818 . 1 . 1 77 77 ASN HA H 1 4.591 0.00 . . . . . . A 77 ASN HA . 30676 1 819 . 1 . 1 77 77 ASN HB2 H 1 3.354 0.00 . . . . . . A 77 ASN HB2 . 30676 1 820 . 1 . 1 77 77 ASN HB3 H 1 2.564 0.00 . . . . . . A 77 ASN HB3 . 30676 1 821 . 1 . 1 77 77 ASN HD21 H 1 6.954 0.54 . . . . . . A 77 ASN HD21 . 30676 1 822 . 1 . 1 77 77 ASN HD22 H 1 8.043 0.54 . . . . . . A 77 ASN HD22 . 30676 1 823 . 1 . 1 77 77 ASN CA C 13 54.072 0.03 . . . . . . A 77 ASN CA . 30676 1 824 . 1 . 1 77 77 ASN CB C 13 38.842 0.00 . . . . . . A 77 ASN CB . 30676 1 825 . 1 . 1 77 77 ASN N N 15 118.512 0.02 . . . . . . A 77 ASN N . 30676 1 826 . 1 . 1 77 77 ASN ND2 N 15 112.075 0.00 . . . . . . A 77 ASN ND2 . 30676 1 827 . 1 . 1 78 78 ASN H H 1 9.150 0.00 . . . . . . A 78 ASN H . 30676 1 828 . 1 . 1 78 78 ASN HA H 1 4.303 0.00 . . . . . . A 78 ASN HA . 30676 1 829 . 1 . 1 78 78 ASN HB2 H 1 3.071 0.01 . . . . . . A 78 ASN HB2 . 30676 1 830 . 1 . 1 78 78 ASN HB3 H 1 2.801 0.00 . . . . . . A 78 ASN HB3 . 30676 1 831 . 1 . 1 78 78 ASN HD21 H 1 7.641 0.38 . . . . . . A 78 ASN HD21 . 30676 1 832 . 1 . 1 78 78 ASN HD22 H 1 6.886 0.38 . . . . . . A 78 ASN HD22 . 30676 1 833 . 1 . 1 78 78 ASN CA C 13 54.424 0.08 . . . . . . A 78 ASN CA . 30676 1 834 . 1 . 1 78 78 ASN CB C 13 38.158 0.00 . . . . . . A 78 ASN CB . 30676 1 835 . 1 . 1 78 78 ASN N N 15 112.871 0.02 . . . . . . A 78 ASN N . 30676 1 836 . 1 . 1 78 78 ASN ND2 N 15 113.110 0.00 . . . . . . A 78 ASN ND2 . 30676 1 837 . 1 . 1 79 79 ASP H H 1 8.083 0.00 . . . . . . A 79 ASP H . 30676 1 838 . 1 . 1 79 79 ASP HA H 1 4.795 0.00 . . . . . . A 79 ASP HA . 30676 1 839 . 1 . 1 79 79 ASP HB2 H 1 3.314 0.00 . . . . . . A 79 ASP HB2 . 30676 1 840 . 1 . 1 79 79 ASP HB3 H 1 2.499 0.00 . . . . . . A 79 ASP HB3 . 30676 1 841 . 1 . 1 79 79 ASP C C 13 176.985 0.02 . . . . . . A 79 ASP C . 30676 1 842 . 1 . 1 79 79 ASP CA C 13 53.383 0.02 . . . . . . A 79 ASP CA . 30676 1 843 . 1 . 1 79 79 ASP CB C 13 42.320 0.08 . . . . . . A 79 ASP CB . 30676 1 844 . 1 . 1 79 79 ASP N N 15 118.666 0.01 . . . . . . A 79 ASP N . 30676 1 845 . 1 . 1 80 80 ALA H H 1 8.915 0.00 . . . . . . A 80 ALA H . 30676 1 846 . 1 . 1 80 80 ALA HA H 1 4.032 0.01 . . . . . . A 80 ALA HA . 30676 1 847 . 1 . 1 80 80 ALA HB1 H 1 1.502 0.00 . . . . . . A 80 ALA HB1 . 30676 1 848 . 1 . 1 80 80 ALA HB2 H 1 1.502 0.00 . . . . . . A 80 ALA HB2 . 30676 1 849 . 1 . 1 80 80 ALA HB3 H 1 1.502 0.00 . . . . . . A 80 ALA HB3 . 30676 1 850 . 1 . 1 80 80 ALA C C 13 179.737 0.12 . . . . . . A 80 ALA C . 30676 1 851 . 1 . 1 80 80 ALA CA C 13 54.656 0.12 . . . . . . A 80 ALA CA . 30676 1 852 . 1 . 1 80 80 ALA CB C 13 18.632 0.00 . . . . . . A 80 ALA CB . 30676 1 853 . 1 . 1 80 80 ALA N N 15 128.522 0.02 . . . . . . A 80 ALA N . 30676 1 854 . 1 . 1 81 81 GLU H H 1 8.875 0.00 . . . . . . A 81 GLU H . 30676 1 855 . 1 . 1 81 81 GLU HA H 1 4.275 0.00 . . . . . . A 81 GLU HA . 30676 1 856 . 1 . 1 81 81 GLU HB2 H 1 2.183 0.04 . . . . . . A 81 GLU HB2 . 30676 1 857 . 1 . 1 81 81 GLU HB3 H 1 2.105 0.02 . . . . . . A 81 GLU HB3 . 30676 1 858 . 1 . 1 81 81 GLU HG2 H 1 2.434 0.00 . . . . . . A 81 GLU HG2 . 30676 1 859 . 1 . 1 81 81 GLU HG3 H 1 2.294 0.01 . . . . . . A 81 GLU HG3 . 30676 1 860 . 1 . 1 81 81 GLU C C 13 177.227 0.04 . . . . . . A 81 GLU C . 30676 1 861 . 1 . 1 81 81 GLU CA C 13 57.555 0.04 . . . . . . A 81 GLU CA . 30676 1 862 . 1 . 1 81 81 GLU CB C 13 29.587 0.11 . . . . . . A 81 GLU CB . 30676 1 863 . 1 . 1 81 81 GLU CG C 13 36.753 0.04 . . . . . . A 81 GLU CG . 30676 1 864 . 1 . 1 81 81 GLU N N 15 116.096 0.00 . . . . . . A 81 GLU N . 30676 1 865 . 1 . 1 82 82 LEU H H 1 7.849 0.00 . . . . . . A 82 LEU H . 30676 1 866 . 1 . 1 82 82 LEU HA H 1 4.707 0.03 . . . . . . A 82 LEU HA . 30676 1 867 . 1 . 1 82 82 LEU HB2 H 1 2.490 0.00 . . . . . . A 82 LEU HB2 . 30676 1 868 . 1 . 1 82 82 LEU HB3 H 1 1.884 0.00 . . . . . . A 82 LEU HB3 . 30676 1 869 . 1 . 1 82 82 LEU HG H 1 1.616 0.00 . . . . . . A 82 LEU HG . 30676 1 870 . 1 . 1 82 82 LEU HD11 H 1 1.027 0.05 . . . . . . A 82 LEU HD11 . 30676 1 871 . 1 . 1 82 82 LEU HD12 H 1 1.027 0.05 . . . . . . A 82 LEU HD12 . 30676 1 872 . 1 . 1 82 82 LEU HD13 H 1 1.027 0.05 . . . . . . A 82 LEU HD13 . 30676 1 873 . 1 . 1 82 82 LEU HD21 H 1 0.976 0.00 . . . . . . A 82 LEU HD21 . 30676 1 874 . 1 . 1 82 82 LEU HD22 H 1 0.976 0.00 . . . . . . A 82 LEU HD22 . 30676 1 875 . 1 . 1 82 82 LEU HD23 H 1 0.976 0.00 . . . . . . A 82 LEU HD23 . 30676 1 876 . 1 . 1 82 82 LEU C C 13 175.394 0.02 . . . . . . A 82 LEU C . 30676 1 877 . 1 . 1 82 82 LEU CA C 13 52.444 0.02 . . . . . . A 82 LEU CA . 30676 1 878 . 1 . 1 82 82 LEU CB C 13 41.658 0.00 . . . . . . A 82 LEU CB . 30676 1 879 . 1 . 1 82 82 LEU CG C 13 25.735 0.00 . . . . . . A 82 LEU CG . 30676 1 880 . 1 . 1 82 82 LEU CD1 C 13 22.928 0.00 . . . . . . A 82 LEU CD1 . 30676 1 881 . 1 . 1 82 82 LEU CD2 C 13 22.970 0.07 . . . . . . A 82 LEU CD2 . 30676 1 882 . 1 . 1 82 82 LEU N N 15 123.287 0.01 . . . . . . A 82 LEU N . 30676 1 883 . 1 . 1 83 83 THR H H 1 6.866 0.01 . . . . . . A 83 THR H . 30676 1 884 . 1 . 1 83 83 THR HA H 1 5.247 0.00 . . . . . . A 83 THR HA . 30676 1 885 . 1 . 1 83 83 THR HB H 1 3.820 0.00 . . . . . . A 83 THR HB . 30676 1 886 . 1 . 1 83 83 THR HG21 H 1 1.086 0.00 . . . . . . A 83 THR HG21 . 30676 1 887 . 1 . 1 83 83 THR HG22 H 1 1.086 0.00 . . . . . . A 83 THR HG22 . 30676 1 888 . 1 . 1 83 83 THR HG23 H 1 1.086 0.00 . . . . . . A 83 THR HG23 . 30676 1 889 . 1 . 1 83 83 THR C C 13 173.135 0.00 . . . . . . A 83 THR C . 30676 1 890 . 1 . 1 83 83 THR CA C 13 60.755 0.00 . . . . . . A 83 THR CA . 30676 1 891 . 1 . 1 83 83 THR CB C 13 70.668 0.24 . . . . . . A 83 THR CB . 30676 1 892 . 1 . 1 83 83 THR CG2 C 13 21.268 0.00 . . . . . . A 83 THR CG2 . 30676 1 893 . 1 . 1 83 83 THR N N 15 113.791 0.05 . . . . . . A 83 THR N . 30676 1 894 . 1 . 1 84 84 TYR H H 1 8.970 0.00 . . . . . . A 84 TYR H . 30676 1 895 . 1 . 1 84 84 TYR HA H 1 4.836 0.01 . . . . . . A 84 TYR HA . 30676 1 896 . 1 . 1 84 84 TYR HB2 H 1 3.105 0.00 . . . . . . A 84 TYR HB2 . 30676 1 897 . 1 . 1 84 84 TYR HB3 H 1 2.433 0.01 . . . . . . A 84 TYR HB3 . 30676 1 898 . 1 . 1 84 84 TYR HD1 H 1 7.125 0.00 . . . . . . A 84 TYR HD1 . 30676 1 899 . 1 . 1 84 84 TYR HD2 H 1 7.117 0.01 . . . . . . A 84 TYR HD2 . 30676 1 900 . 1 . 1 84 84 TYR HE2 H 1 6.839 0.01 . . . . . . A 84 TYR HE2 . 30676 1 901 . 1 . 1 84 84 TYR C C 13 173.754 0.08 . . . . . . A 84 TYR C . 30676 1 902 . 1 . 1 84 84 TYR CA C 13 56.960 0.08 . . . . . . A 84 TYR CA . 30676 1 903 . 1 . 1 84 84 TYR CB C 13 43.579 0.08 . . . . . . A 84 TYR CB . 30676 1 904 . 1 . 1 84 84 TYR N N 15 123.939 0.02 . . . . . . A 84 TYR N . 30676 1 905 . 1 . 1 85 85 GLU H H 1 8.793 0.02 . . . . . . A 85 GLU H . 30676 1 906 . 1 . 1 85 85 GLU HA H 1 5.756 0.00 . . . . . . A 85 GLU HA . 30676 1 907 . 1 . 1 85 85 GLU HB2 H 1 1.929 0.00 . . . . . . A 85 GLU HB2 . 30676 1 908 . 1 . 1 85 85 GLU HB3 H 1 1.931 0.00 . . . . . . A 85 GLU HB3 . 30676 1 909 . 1 . 1 85 85 GLU HG2 H 1 2.157 0.00 . . . . . . A 85 GLU HG2 . 30676 1 910 . 1 . 1 85 85 GLU HG3 H 1 2.156 0.00 . . . . . . A 85 GLU HG3 . 30676 1 911 . 1 . 1 85 85 GLU C C 13 174.889 0.03 . . . . . . A 85 GLU C . 30676 1 912 . 1 . 1 85 85 GLU CA C 13 54.412 0.03 . . . . . . A 85 GLU CA . 30676 1 913 . 1 . 1 85 85 GLU CB C 13 34.531 0.03 . . . . . . A 85 GLU CB . 30676 1 914 . 1 . 1 85 85 GLU N N 15 120.096 0.01 . . . . . . A 85 GLU N . 30676 1 915 . 1 . 1 86 86 ILE H H 1 8.785 0.02 . . . . . . A 86 ILE H . 30676 1 916 . 1 . 1 86 86 ILE HA H 1 4.605 0.00 . . . . . . A 86 ILE HA . 30676 1 917 . 1 . 1 86 86 ILE HB H 1 1.692 0.04 . . . . . . A 86 ILE HB . 30676 1 918 . 1 . 1 86 86 ILE HG12 H 1 1.331 0.34 . . . . . . A 86 ILE HG12 . 30676 1 919 . 1 . 1 86 86 ILE HG13 H 1 0.920 0.06 . . . . . . A 86 ILE HG13 . 30676 1 920 . 1 . 1 86 86 ILE HG21 H 1 0.801 0.01 . . . . . . A 86 ILE HG21 . 30676 1 921 . 1 . 1 86 86 ILE HG22 H 1 0.801 0.01 . . . . . . A 86 ILE HG22 . 30676 1 922 . 1 . 1 86 86 ILE HG23 H 1 0.801 0.01 . . . . . . A 86 ILE HG23 . 30676 1 923 . 1 . 1 86 86 ILE HD11 H 1 0.653 0.00 . . . . . . A 86 ILE HD11 . 30676 1 924 . 1 . 1 86 86 ILE HD12 H 1 0.653 0.00 . . . . . . A 86 ILE HD12 . 30676 1 925 . 1 . 1 86 86 ILE HD13 H 1 0.653 0.00 . . . . . . A 86 ILE HD13 . 30676 1 926 . 1 . 1 86 86 ILE C C 13 180.781 0.10 . . . . . . A 86 ILE C . 30676 1 927 . 1 . 1 86 86 ILE CA C 13 59.726 0.10 . . . . . . A 86 ILE CA . 30676 1 928 . 1 . 1 86 86 ILE CB C 13 41.940 0.07 . . . . . . A 86 ILE CB . 30676 1 929 . 1 . 1 86 86 ILE CG1 C 13 28.074 0.04 . . . . . . A 86 ILE CG1 . 30676 1 930 . 1 . 1 86 86 ILE CG2 C 13 15.980 0.03 . . . . . . A 86 ILE CG2 . 30676 1 931 . 1 . 1 86 86 ILE CD1 C 13 14.304 0.08 . . . . . . A 86 ILE CD1 . 30676 1 932 . 1 . 1 86 86 ILE N N 15 120.445 0.00 . . . . . . A 86 ILE N . 30676 1 933 . 1 . 1 87 87 LEU H H 1 8.220 0.01 . . . . . . A 87 LEU H . 30676 1 934 . 1 . 1 87 87 LEU HA H 1 5.420 0.00 . . . . . . A 87 LEU HA . 30676 1 935 . 1 . 1 87 87 LEU HB2 H 1 1.725 0.00 . . . . . . A 87 LEU HB2 . 30676 1 936 . 1 . 1 87 87 LEU HB3 H 1 1.401 0.03 . . . . . . A 87 LEU HB3 . 30676 1 937 . 1 . 1 87 87 LEU HG H 1 1.397 0.00 . . . . . . A 87 LEU HG . 30676 1 938 . 1 . 1 87 87 LEU HD11 H 1 0.873 0.02 . . . . . . A 87 LEU HD11 . 30676 1 939 . 1 . 1 87 87 LEU HD12 H 1 0.873 0.02 . . . . . . A 87 LEU HD12 . 30676 1 940 . 1 . 1 87 87 LEU HD13 H 1 0.873 0.02 . . . . . . A 87 LEU HD13 . 30676 1 941 . 1 . 1 87 87 LEU HD21 H 1 0.863 0.03 . . . . . . A 87 LEU HD21 . 30676 1 942 . 1 . 1 87 87 LEU HD22 H 1 0.863 0.03 . . . . . . A 87 LEU HD22 . 30676 1 943 . 1 . 1 87 87 LEU HD23 H 1 0.863 0.03 . . . . . . A 87 LEU HD23 . 30676 1 944 . 1 . 1 87 87 LEU C C 13 175.766 0.06 . . . . . . A 87 LEU C . 30676 1 945 . 1 . 1 87 87 LEU CA C 13 53.536 0.06 . . . . . . A 87 LEU CA . 30676 1 946 . 1 . 1 87 87 LEU CB C 13 44.325 0.09 . . . . . . A 87 LEU CB . 30676 1 947 . 1 . 1 87 87 LEU CG C 13 27.417 0.00 . . . . . . A 87 LEU CG . 30676 1 948 . 1 . 1 87 87 LEU CD1 C 13 30.387 11.17 . . . . . . A 87 LEU CD1 . 30676 1 949 . 1 . 1 87 87 LEU CD2 C 13 24.359 0.05 . . . . . . A 87 LEU CD2 . 30676 1 950 . 1 . 1 87 87 LEU N N 15 129.257 0.01 . . . . . . A 87 LEU N . 30676 1 951 . 1 . 1 88 88 LEU H H 1 9.038 0.01 . . . . . . A 88 LEU H . 30676 1 952 . 1 . 1 88 88 LEU HA H 1 4.850 0.00 . . . . . . A 88 LEU HA . 30676 1 953 . 1 . 1 88 88 LEU HD11 H 1 0.774 0.02 . . . . . . A 88 LEU HD11 . 30676 1 954 . 1 . 1 88 88 LEU HD12 H 1 0.774 0.02 . . . . . . A 88 LEU HD12 . 30676 1 955 . 1 . 1 88 88 LEU HD13 H 1 0.774 0.02 . . . . . . A 88 LEU HD13 . 30676 1 956 . 1 . 1 88 88 LEU HD21 H 1 0.774 0.03 . . . . . . A 88 LEU HD21 . 30676 1 957 . 1 . 1 88 88 LEU HD22 H 1 0.774 0.03 . . . . . . A 88 LEU HD22 . 30676 1 958 . 1 . 1 88 88 LEU HD23 H 1 0.774 0.03 . . . . . . A 88 LEU HD23 . 30676 1 959 . 1 . 1 88 88 LEU C C 13 171.909 0.06 . . . . . . A 88 LEU C . 30676 1 960 . 1 . 1 88 88 LEU CA C 13 53.628 0.06 . . . . . . A 88 LEU CA . 30676 1 961 . 1 . 1 88 88 LEU CB C 13 43.190 0.09 . . . . . . A 88 LEU CB . 30676 1 962 . 1 . 1 88 88 LEU N N 15 126.374 0.01 . . . . . . A 88 LEU N . 30676 1 963 . 1 . 1 89 89 PRO HA H 1 4.886 0.01 . . . . . . A 89 PRO HA . 30676 1 964 . 1 . 1 89 89 PRO HB2 H 1 2.276 0.00 . . . . . . A 89 PRO HB2 . 30676 1 965 . 1 . 1 89 89 PRO HB3 H 1 1.990 0.00 . . . . . . A 89 PRO HB3 . 30676 1 966 . 1 . 1 89 89 PRO HG2 H 1 1.121 0.00 . . . . . . A 89 PRO HG2 . 30676 1 967 . 1 . 1 89 89 PRO HG3 H 1 1.121 0.00 . . . . . . A 89 PRO HG3 . 30676 1 968 . 1 . 1 89 89 PRO HD2 H 1 3.694 0.00 . . . . . . A 89 PRO HD2 . 30676 1 969 . 1 . 1 89 89 PRO HD3 H 1 3.602 0.00 . . . . . . A 89 PRO HD3 . 30676 1 970 . 1 . 1 89 89 PRO C C 13 178.545 0.00 . . . . . . A 89 PRO C . 30676 1 971 . 1 . 1 89 89 PRO CA C 13 65.244 0.00 . . . . . . A 89 PRO CA . 30676 1 972 . 1 . 1 89 89 PRO CB C 13 32.743 0.00 . . . . . . A 89 PRO CB . 30676 1 973 . 1 . 1 89 89 PRO CG C 13 28.192 0.00 . . . . . . A 89 PRO CG . 30676 1 974 . 1 . 1 90 90 ASN H H 1 9.710 0.01 . . . . . . A 90 ASN H . 30676 1 975 . 1 . 1 90 90 ASN HA H 1 4.413 0.01 . . . . . . A 90 ASN HA . 30676 1 976 . 1 . 1 90 90 ASN HB2 H 1 3.072 0.00 . . . . . . A 90 ASN HB2 . 30676 1 977 . 1 . 1 90 90 ASN HB3 H 1 2.853 0.00 . . . . . . A 90 ASN HB3 . 30676 1 978 . 1 . 1 90 90 ASN HD21 H 1 7.789 0.33 . . . . . . A 90 ASN HD21 . 30676 1 979 . 1 . 1 90 90 ASN HD22 H 1 7.122 0.33 . . . . . . A 90 ASN HD22 . 30676 1 980 . 1 . 1 90 90 ASN CB C 13 37.148 0.00 . . . . . . A 90 ASN CB . 30676 1 981 . 1 . 1 90 90 ASN N N 15 126.907 0.06 . . . . . . A 90 ASN N . 30676 1 982 . 1 . 1 90 90 ASN ND2 N 15 113.073 0.00 . . . . . . A 90 ASN ND2 . 30676 1 983 . 1 . 1 91 91 HIS H H 1 8.353 0.01 . . . . . . A 91 HIS H . 30676 1 984 . 1 . 1 91 91 HIS HA H 1 4.283 0.13 . . . . . . A 91 HIS HA . 30676 1 985 . 1 . 1 91 91 HIS HB2 H 1 2.777 0.00 . . . . . . A 91 HIS HB2 . 30676 1 986 . 1 . 1 91 91 HIS HB3 H 1 2.172 0.00 . . . . . . A 91 HIS HB3 . 30676 1 987 . 1 . 1 91 91 HIS C C 13 177.781 0.09 . . . . . . A 91 HIS C . 30676 1 988 . 1 . 1 91 91 HIS CA C 13 58.166 0.09 . . . . . . A 91 HIS CA . 30676 1 989 . 1 . 1 91 91 HIS CB C 13 27.412 0.00 . . . . . . A 91 HIS CB . 30676 1 990 . 1 . 1 91 91 HIS N N 15 112.829 0.13 . . . . . . A 91 HIS N . 30676 1 991 . 1 . 1 92 92 GLU H H 1 6.541 0.01 . . . . . . A 92 GLU H . 30676 1 992 . 1 . 1 92 92 GLU HA H 1 4.064 0.04 . . . . . . A 92 GLU HA . 30676 1 993 . 1 . 1 92 92 GLU HB2 H 1 1.885 0.00 . . . . . . A 92 GLU HB2 . 30676 1 994 . 1 . 1 92 92 GLU HB3 H 1 1.885 0.00 . . . . . . A 92 GLU HB3 . 30676 1 995 . 1 . 1 92 92 GLU HG2 H 1 2.186 0.07 . . . . . . A 92 GLU HG2 . 30676 1 996 . 1 . 1 92 92 GLU HG3 H 1 1.991 0.17 . . . . . . A 92 GLU HG3 . 30676 1 997 . 1 . 1 92 92 GLU C C 13 177.779 0.09 . . . . . . A 92 GLU C . 30676 1 998 . 1 . 1 92 92 GLU CA C 13 58.559 0.09 . . . . . . A 92 GLU CA . 30676 1 999 . 1 . 1 92 92 GLU CB C 13 30.219 0.00 . . . . . . A 92 GLU CB . 30676 1 1000 . 1 . 1 92 92 GLU CG C 13 36.364 0.09 . . . . . . A 92 GLU CG . 30676 1 1001 . 1 . 1 92 92 GLU N N 15 120.956 0.06 . . . . . . A 92 GLU N . 30676 1 1002 . 1 . 1 93 93 PHE H H 1 8.152 0.00 . . . . . . A 93 PHE H . 30676 1 1003 . 1 . 1 93 93 PHE HA H 1 4.470 0.00 . . . . . . A 93 PHE HA . 30676 1 1004 . 1 . 1 93 93 PHE HB2 H 1 2.947 0.00 . . . . . . A 93 PHE HB2 . 30676 1 1005 . 1 . 1 93 93 PHE HB3 H 1 2.947 0.00 . . . . . . A 93 PHE HB3 . 30676 1 1006 . 1 . 1 93 93 PHE C C 13 177.627 0.00 . . . . . . A 93 PHE C . 30676 1 1007 . 1 . 1 93 93 PHE CA C 13 60.789 0.00 . . . . . . A 93 PHE CA . 30676 1 1008 . 1 . 1 93 93 PHE CB C 13 38.893 0.00 . . . . . . A 93 PHE CB . 30676 1 1009 . 1 . 1 93 93 PHE N N 15 120.357 0.10 . . . . . . A 93 PHE N . 30676 1 1010 . 1 . 1 94 94 LEU H H 1 8.846 0.01 . . . . . . A 94 LEU H . 30676 1 1011 . 1 . 1 94 94 LEU HA H 1 3.461 0.00 . . . . . . A 94 LEU HA . 30676 1 1012 . 1 . 1 94 94 LEU HB2 H 1 1.828 0.00 . . . . . . A 94 LEU HB2 . 30676 1 1013 . 1 . 1 94 94 LEU HB3 H 1 1.407 0.08 . . . . . . A 94 LEU HB3 . 30676 1 1014 . 1 . 1 94 94 LEU HG H 1 1.262 0.01 . . . . . . A 94 LEU HG . 30676 1 1015 . 1 . 1 94 94 LEU HD11 H 1 0.328 0.00 . . . . . . A 94 LEU HD11 . 30676 1 1016 . 1 . 1 94 94 LEU HD12 H 1 0.328 0.00 . . . . . . A 94 LEU HD12 . 30676 1 1017 . 1 . 1 94 94 LEU HD13 H 1 0.328 0.00 . . . . . . A 94 LEU HD13 . 30676 1 1018 . 1 . 1 94 94 LEU HD21 H 1 0.203 0.00 . . . . . . A 94 LEU HD21 . 30676 1 1019 . 1 . 1 94 94 LEU HD22 H 1 0.203 0.00 . . . . . . A 94 LEU HD22 . 30676 1 1020 . 1 . 1 94 94 LEU HD23 H 1 0.203 0.00 . . . . . . A 94 LEU HD23 . 30676 1 1021 . 1 . 1 94 94 LEU C C 13 179.240 0.07 . . . . . . A 94 LEU C . 30676 1 1022 . 1 . 1 94 94 LEU CA C 13 56.596 0.07 . . . . . . A 94 LEU CA . 30676 1 1023 . 1 . 1 94 94 LEU CB C 13 40.675 0.07 . . . . . . A 94 LEU CB . 30676 1 1024 . 1 . 1 94 94 LEU CG C 13 28.666 0.03 . . . . . . A 94 LEU CG . 30676 1 1025 . 1 . 1 94 94 LEU CD1 C 13 24.994 0.01 . . . . . . A 94 LEU CD1 . 30676 1 1026 . 1 . 1 94 94 LEU CD2 C 13 22.954 0.03 . . . . . . A 94 LEU CD2 . 30676 1 1027 . 1 . 1 94 94 LEU N N 15 117.680 0.03 . . . . . . A 94 LEU N . 30676 1 1028 . 1 . 1 95 95 GLU H H 1 6.952 0.00 . . . . . . A 95 GLU H . 30676 1 1029 . 1 . 1 95 95 GLU HA H 1 4.050 0.01 . . . . . . A 95 GLU HA . 30676 1 1030 . 1 . 1 95 95 GLU HB2 H 1 2.063 0.01 . . . . . . A 95 GLU HB2 . 30676 1 1031 . 1 . 1 95 95 GLU HB3 H 1 1.966 0.00 . . . . . . A 95 GLU HB3 . 30676 1 1032 . 1 . 1 95 95 GLU HG2 H 1 2.437 0.02 . . . . . . A 95 GLU HG2 . 30676 1 1033 . 1 . 1 95 95 GLU HG3 H 1 2.406 0.02 . . . . . . A 95 GLU HG3 . 30676 1 1034 . 1 . 1 95 95 GLU C C 13 178.756 0.11 . . . . . . A 95 GLU C . 30676 1 1035 . 1 . 1 95 95 GLU CA C 13 59.841 0.11 . . . . . . A 95 GLU CA . 30676 1 1036 . 1 . 1 95 95 GLU CB C 13 29.346 0.09 . . . . . . A 95 GLU CB . 30676 1 1037 . 1 . 1 95 95 GLU CG C 13 35.336 0.03 . . . . . . A 95 GLU CG . 30676 1 1038 . 1 . 1 95 95 GLU N N 15 116.925 0.01 . . . . . . A 95 GLU N . 30676 1 1039 . 1 . 1 96 96 TYR H H 1 6.837 0.01 . . . . . . A 96 TYR H . 30676 1 1040 . 1 . 1 96 96 TYR HA H 1 4.693 0.03 . . . . . . A 96 TYR HA . 30676 1 1041 . 1 . 1 96 96 TYR HB2 H 1 2.958 0.01 . . . . . . A 96 TYR HB2 . 30676 1 1042 . 1 . 1 96 96 TYR HB3 H 1 2.845 0.00 . . . . . . A 96 TYR HB3 . 30676 1 1043 . 1 . 1 96 96 TYR HD1 H 1 7.297 0.00 . . . . . . A 96 TYR HD1 . 30676 1 1044 . 1 . 1 96 96 TYR HD2 H 1 7.299 0.00 . . . . . . A 96 TYR HD2 . 30676 1 1045 . 1 . 1 96 96 TYR C C 13 178.754 0.07 . . . . . . A 96 TYR C . 30676 1 1046 . 1 . 1 96 96 TYR CA C 13 58.889 0.07 . . . . . . A 96 TYR CA . 30676 1 1047 . 1 . 1 96 96 TYR CB C 13 36.497 0.07 . . . . . . A 96 TYR CB . 30676 1 1048 . 1 . 1 96 96 TYR N N 15 116.665 0.01 . . . . . . A 96 TYR N . 30676 1 1049 . 1 . 1 97 97 LEU H H 1 7.696 0.00 . . . . . . A 97 LEU H . 30676 1 1050 . 1 . 1 97 97 LEU HA H 1 3.923 0.01 . . . . . . A 97 LEU HA . 30676 1 1051 . 1 . 1 97 97 LEU HB2 H 1 1.813 0.01 . . . . . . A 97 LEU HB2 . 30676 1 1052 . 1 . 1 97 97 LEU HB3 H 1 1.820 0.00 . . . . . . A 97 LEU HB3 . 30676 1 1053 . 1 . 1 97 97 LEU HG H 1 1.080 0.01 . . . . . . A 97 LEU HG . 30676 1 1054 . 1 . 1 97 97 LEU HD11 H 1 0.427 0.03 . . . . . . A 97 LEU HD11 . 30676 1 1055 . 1 . 1 97 97 LEU HD12 H 1 0.427 0.03 . . . . . . A 97 LEU HD12 . 30676 1 1056 . 1 . 1 97 97 LEU HD13 H 1 0.427 0.03 . . . . . . A 97 LEU HD13 . 30676 1 1057 . 1 . 1 97 97 LEU HD21 H 1 0.159 0.00 . . . . . . A 97 LEU HD21 . 30676 1 1058 . 1 . 1 97 97 LEU HD22 H 1 0.159 0.00 . . . . . . A 97 LEU HD22 . 30676 1 1059 . 1 . 1 97 97 LEU HD23 H 1 0.159 0.00 . . . . . . A 97 LEU HD23 . 30676 1 1060 . 1 . 1 97 97 LEU C C 13 179.241 0.09 . . . . . . A 97 LEU C . 30676 1 1061 . 1 . 1 97 97 LEU CA C 13 57.541 0.09 . . . . . . A 97 LEU CA . 30676 1 1062 . 1 . 1 97 97 LEU CB C 13 40.837 0.00 . . . . . . A 97 LEU CB . 30676 1 1063 . 1 . 1 97 97 LEU CG C 13 25.573 0.00 . . . . . . A 97 LEU CG . 30676 1 1064 . 1 . 1 97 97 LEU CD1 C 13 25.657 0.07 . . . . . . A 97 LEU CD1 . 30676 1 1065 . 1 . 1 97 97 LEU CD2 C 13 20.829 0.00 . . . . . . A 97 LEU CD2 . 30676 1 1066 . 1 . 1 97 97 LEU N N 15 118.442 0.00 . . . . . . A 97 LEU N . 30676 1 1067 . 1 . 1 98 98 ILE H H 1 8.494 0.14 . . . . . . A 98 ILE H . 30676 1 1068 . 1 . 1 98 98 ILE HA H 1 3.335 0.00 . . . . . . A 98 ILE HA . 30676 1 1069 . 1 . 1 98 98 ILE HB H 1 2.029 0.01 . . . . . . A 98 ILE HB . 30676 1 1070 . 1 . 1 98 98 ILE HG12 H 1 0.698 0.19 . . . . . . A 98 ILE HG12 . 30676 1 1071 . 1 . 1 98 98 ILE HG13 H 1 0.829 0.01 . . . . . . A 98 ILE HG13 . 30676 1 1072 . 1 . 1 98 98 ILE HG21 H 1 0.812 0.10 . . . . . . A 98 ILE HG21 . 30676 1 1073 . 1 . 1 98 98 ILE HG22 H 1 0.812 0.10 . . . . . . A 98 ILE HG22 . 30676 1 1074 . 1 . 1 98 98 ILE HG23 H 1 0.812 0.10 . . . . . . A 98 ILE HG23 . 30676 1 1075 . 1 . 1 98 98 ILE HD11 H 1 0.426 0.00 . . . . . . A 98 ILE HD11 . 30676 1 1076 . 1 . 1 98 98 ILE HD12 H 1 0.426 0.00 . . . . . . A 98 ILE HD12 . 30676 1 1077 . 1 . 1 98 98 ILE HD13 H 1 0.426 0.00 . . . . . . A 98 ILE HD13 . 30676 1 1078 . 1 . 1 98 98 ILE C C 13 177.827 14.11 . . . . . . A 98 ILE C . 30676 1 1079 . 1 . 1 98 98 ILE CA C 13 57.346 14.11 . . . . . . A 98 ILE CA . 30676 1 1080 . 1 . 1 98 98 ILE CB C 13 37.673 0.01 . . . . . . A 98 ILE CB . 30676 1 1081 . 1 . 1 98 98 ILE CG1 C 13 30.542 0.00 . . . . . . A 98 ILE CG1 . 30676 1 1082 . 1 . 1 98 98 ILE CG2 C 13 20.307 9.42 . . . . . . A 98 ILE CG2 . 30676 1 1083 . 1 . 1 98 98 ILE CD1 C 13 16.794 9.91 . . . . . . A 98 ILE CD1 . 30676 1 1084 . 1 . 1 98 98 ILE N N 15 121.582 0.02 . . . . . . A 98 ILE N . 30676 1 1085 . 1 . 1 99 99 ASP H H 1 7.987 0.15 . . . . . . A 99 ASP H . 30676 1 1086 . 1 . 1 99 99 ASP HA H 1 4.378 0.04 . . . . . . A 99 ASP HA . 30676 1 1087 . 1 . 1 99 99 ASP HB2 H 1 2.981 0.00 . . . . . . A 99 ASP HB2 . 30676 1 1088 . 1 . 1 99 99 ASP HB3 H 1 2.698 0.00 . . . . . . A 99 ASP HB3 . 30676 1 1089 . 1 . 1 99 99 ASP C C 13 180.170 0.00 . . . . . . A 99 ASP C . 30676 1 1090 . 1 . 1 99 99 ASP CA C 13 58.258 0.00 . . . . . . A 99 ASP CA . 30676 1 1091 . 1 . 1 99 99 ASP CB C 13 39.945 0.00 . . . . . . A 99 ASP CB . 30676 1 1092 . 1 . 1 99 99 ASP N N 15 120.172 0.02 . . . . . . A 99 ASP N . 30676 1 1093 . 1 . 1 100 100 MET H H 1 8.305 0.01 . . . . . . A 100 MET H . 30676 1 1094 . 1 . 1 100 100 MET HA H 1 4.224 0.00 . . . . . . A 100 MET HA . 30676 1 1095 . 1 . 1 100 100 MET HB2 H 1 1.922 0.00 . . . . . . A 100 MET HB2 . 30676 1 1096 . 1 . 1 100 100 MET HB3 H 1 1.889 0.03 . . . . . . A 100 MET HB3 . 30676 1 1097 . 1 . 1 100 100 MET HG2 H 1 2.349 0.02 . . . . . . A 100 MET HG2 . 30676 1 1098 . 1 . 1 100 100 MET HG3 H 1 2.369 0.00 . . . . . . A 100 MET HG3 . 30676 1 1099 . 1 . 1 100 100 MET C C 13 179.612 0.07 . . . . . . A 100 MET C . 30676 1 1100 . 1 . 1 100 100 MET CA C 13 59.049 0.07 . . . . . . A 100 MET CA . 30676 1 1101 . 1 . 1 100 100 MET CB C 13 34.232 0.00 . . . . . . A 100 MET CB . 30676 1 1102 . 1 . 1 100 100 MET CG C 13 30.261 0.00 . . . . . . A 100 MET CG . 30676 1 1103 . 1 . 1 100 100 MET N N 15 123.552 0.00 . . . . . . A 100 MET N . 30676 1 1104 . 1 . 1 101 101 LEU H H 1 8.432 0.00 . . . . . . A 101 LEU H . 30676 1 1105 . 1 . 1 101 101 LEU HA H 1 4.013 0.00 . . . . . . A 101 LEU HA . 30676 1 1106 . 1 . 1 101 101 LEU HB2 H 1 1.986 0.00 . . . . . . A 101 LEU HB2 . 30676 1 1107 . 1 . 1 101 101 LEU HB3 H 1 1.841 0.00 . . . . . . A 101 LEU HB3 . 30676 1 1108 . 1 . 1 101 101 LEU HG H 1 1.550 0.00 . . . . . . A 101 LEU HG . 30676 1 1109 . 1 . 1 101 101 LEU HD11 H 1 0.876 0.00 . . . . . . A 101 LEU HD11 . 30676 1 1110 . 1 . 1 101 101 LEU HD12 H 1 0.876 0.00 . . . . . . A 101 LEU HD12 . 30676 1 1111 . 1 . 1 101 101 LEU HD13 H 1 0.876 0.00 . . . . . . A 101 LEU HD13 . 30676 1 1112 . 1 . 1 101 101 LEU HD21 H 1 0.876 0.00 . . . . . . A 101 LEU HD21 . 30676 1 1113 . 1 . 1 101 101 LEU HD22 H 1 0.876 0.00 . . . . . . A 101 LEU HD22 . 30676 1 1114 . 1 . 1 101 101 LEU HD23 H 1 0.876 0.00 . . . . . . A 101 LEU HD23 . 30676 1 1115 . 1 . 1 101 101 LEU C C 13 180.005 0.00 . . . . . . A 101 LEU C . 30676 1 1116 . 1 . 1 101 101 LEU CA C 13 58.424 0.00 . . . . . . A 101 LEU CA . 30676 1 1117 . 1 . 1 101 101 LEU CB C 13 41.179 0.00 . . . . . . A 101 LEU CB . 30676 1 1118 . 1 . 1 101 101 LEU CG C 13 26.999 0.00 . . . . . . A 101 LEU CG . 30676 1 1119 . 1 . 1 101 101 LEU CD1 C 13 25.974 0.00 . . . . . . A 101 LEU CD1 . 30676 1 1120 . 1 . 1 101 101 LEU CD2 C 13 24.322 0.00 . . . . . . A 101 LEU CD2 . 30676 1 1121 . 1 . 1 101 101 LEU N N 15 122.989 0.01 . . . . . . A 101 LEU N . 30676 1 1122 . 1 . 1 102 102 MET H H 1 8.633 0.00 . . . . . . A 102 MET H . 30676 1 1123 . 1 . 1 102 102 MET HA H 1 3.738 0.01 . . . . . . A 102 MET HA . 30676 1 1124 . 1 . 1 102 102 MET HB2 H 1 2.004 0.00 . . . . . . A 102 MET HB2 . 30676 1 1125 . 1 . 1 102 102 MET HB3 H 1 1.868 0.14 . . . . . . A 102 MET HB3 . 30676 1 1126 . 1 . 1 102 102 MET HG2 H 1 2.220 0.00 . . . . . . A 102 MET HG2 . 30676 1 1127 . 1 . 1 102 102 MET HG3 H 1 1.867 0.14 . . . . . . A 102 MET HG3 . 30676 1 1128 . 1 . 1 102 102 MET C C 13 179.554 0.09 . . . . . . A 102 MET C . 30676 1 1129 . 1 . 1 102 102 MET CA C 13 60.069 0.09 . . . . . . A 102 MET CA . 30676 1 1130 . 1 . 1 102 102 MET CB C 13 31.920 0.00 . . . . . . A 102 MET CB . 30676 1 1131 . 1 . 1 102 102 MET CG C 13 31.906 0.00 . . . . . . A 102 MET CG . 30676 1 1132 . 1 . 1 102 102 MET N N 15 120.819 0.01 . . . . . . A 102 MET N . 30676 1 1133 . 1 . 1 103 103 GLY H H 1 8.511 0.00 . . . . . . A 103 GLY H . 30676 1 1134 . 1 . 1 103 103 GLY HA2 H 1 4.094 0.01 . . . . . . A 103 GLY HA2 . 30676 1 1135 . 1 . 1 103 103 GLY HA3 H 1 3.965 0.00 . . . . . . A 103 GLY HA3 . 30676 1 1136 . 1 . 1 103 103 GLY C C 13 176.075 0.02 . . . . . . A 103 GLY C . 30676 1 1137 . 1 . 1 103 103 GLY CA C 13 46.982 0.02 . . . . . . A 103 GLY CA . 30676 1 1138 . 1 . 1 103 103 GLY N N 15 107.785 0.01 . . . . . . A 103 GLY N . 30676 1 1139 . 1 . 1 104 104 TYR H H 1 8.250 0.00 . . . . . . A 104 TYR H . 30676 1 1140 . 1 . 1 104 104 TYR HA H 1 4.418 0.00 . . . . . . A 104 TYR HA . 30676 1 1141 . 1 . 1 104 104 TYR HB2 H 1 3.149 0.05 . . . . . . A 104 TYR HB2 . 30676 1 1142 . 1 . 1 104 104 TYR HB3 H 1 3.132 0.04 . . . . . . A 104 TYR HB3 . 30676 1 1143 . 1 . 1 104 104 TYR HD2 H 1 6.956 0.00 . . . . . . A 104 TYR HD2 . 30676 1 1144 . 1 . 1 104 104 TYR C C 13 178.258 0.00 . . . . . . A 104 TYR C . 30676 1 1145 . 1 . 1 104 104 TYR CA C 13 61.748 0.00 . . . . . . A 104 TYR CA . 30676 1 1146 . 1 . 1 104 104 TYR CB C 13 38.779 0.04 . . . . . . A 104 TYR CB . 30676 1 1147 . 1 . 1 104 104 TYR N N 15 124.603 0.06 . . . . . . A 104 TYR N . 30676 1 1148 . 1 . 1 105 105 GLN H H 1 8.033 0.00 . . . . . . A 105 GLN H . 30676 1 1149 . 1 . 1 105 105 GLN HA H 1 4.026 0.00 . . . . . . A 105 GLN HA . 30676 1 1150 . 1 . 1 105 105 GLN HB2 H 1 2.338 0.01 . . . . . . A 105 GLN HB2 . 30676 1 1151 . 1 . 1 105 105 GLN HB3 H 1 2.341 0.00 . . . . . . A 105 GLN HB3 . 30676 1 1152 . 1 . 1 105 105 GLN HG2 H 1 2.703 0.00 . . . . . . A 105 GLN HG2 . 30676 1 1153 . 1 . 1 105 105 GLN HG3 H 1 2.609 0.01 . . . . . . A 105 GLN HG3 . 30676 1 1154 . 1 . 1 105 105 GLN HE21 H 1 7.034 0.34 . . . . . . A 105 GLN HE21 . 30676 1 1155 . 1 . 1 105 105 GLN HE22 H 1 7.719 0.34 . . . . . . A 105 GLN HE22 . 30676 1 1156 . 1 . 1 105 105 GLN CA C 13 58.587 0.07 . . . . . . A 105 GLN CA . 30676 1 1157 . 1 . 1 105 105 GLN CB C 13 28.302 0.00 . . . . . . A 105 GLN CB . 30676 1 1158 . 1 . 1 105 105 GLN CG C 13 33.467 0.01 . . . . . . A 105 GLN CG . 30676 1 1159 . 1 . 1 105 105 GLN N N 15 118.660 0.00 . . . . . . A 105 GLN N . 30676 1 1160 . 1 . 1 105 105 GLN NE2 N 15 112.704 0.00 . . . . . . A 105 GLN NE2 . 30676 1 1161 . 1 . 1 106 106 ARG H H 1 7.694 0.00 . . . . . . A 106 ARG H . 30676 1 1162 . 1 . 1 106 106 ARG HA H 1 4.255 0.01 . . . . . . A 106 ARG HA . 30676 1 1163 . 1 . 1 106 106 ARG HB2 H 1 1.980 0.01 . . . . . . A 106 ARG HB2 . 30676 1 1164 . 1 . 1 106 106 ARG HB3 H 1 1.849 0.00 . . . . . . A 106 ARG HB3 . 30676 1 1165 . 1 . 1 106 106 ARG HG2 H 1 1.829 0.06 . . . . . . A 106 ARG HG2 . 30676 1 1166 . 1 . 1 106 106 ARG HG3 H 1 1.683 0.00 . . . . . . A 106 ARG HG3 . 30676 1 1167 . 1 . 1 106 106 ARG HD2 H 1 3.301 0.01 . . . . . . A 106 ARG HD2 . 30676 1 1168 . 1 . 1 106 106 ARG HD3 H 1 3.311 0.00 . . . . . . A 106 ARG HD3 . 30676 1 1169 . 1 . 1 106 106 ARG C C 13 177.908 0.06 . . . . . . A 106 ARG C . 30676 1 1170 . 1 . 1 106 106 ARG CA C 13 58.868 0.06 . . . . . . A 106 ARG CA . 30676 1 1171 . 1 . 1 106 106 ARG CB C 13 31.463 0.06 . . . . . . A 106 ARG CB . 30676 1 1172 . 1 . 1 106 106 ARG CG C 13 27.725 0.00 . . . . . . A 106 ARG CG . 30676 1 1173 . 1 . 1 106 106 ARG CD C 13 43.277 0.02 . . . . . . A 106 ARG CD . 30676 1 1174 . 1 . 1 106 106 ARG N N 15 115.237 0.00 . . . . . . A 106 ARG N . 30676 1 1175 . 1 . 1 107 107 MET H H 1 8.315 0.00 . . . . . . A 107 MET H . 30676 1 1176 . 1 . 1 107 107 MET HA H 1 4.696 0.00 . . . . . . A 107 MET HA . 30676 1 1177 . 1 . 1 107 107 MET HB2 H 1 2.158 0.00 . . . . . . A 107 MET HB2 . 30676 1 1178 . 1 . 1 107 107 MET HB3 H 1 2.052 0.00 . . . . . . A 107 MET HB3 . 30676 1 1179 . 1 . 1 107 107 MET HG2 H 1 2.567 0.01 . . . . . . A 107 MET HG2 . 30676 1 1180 . 1 . 1 107 107 MET HG3 H 1 2.567 0.00 . . . . . . A 107 MET HG3 . 30676 1 1181 . 1 . 1 107 107 MET C C 13 175.204 0.08 . . . . . . A 107 MET C . 30676 1 1182 . 1 . 1 107 107 MET CA C 13 55.047 0.08 . . . . . . A 107 MET CA . 30676 1 1183 . 1 . 1 107 107 MET CB C 13 34.488 0.09 . . . . . . A 107 MET CB . 30676 1 1184 . 1 . 1 107 107 MET CG C 13 32.034 0.06 . . . . . . A 107 MET CG . 30676 1 1185 . 1 . 1 107 107 MET N N 15 113.822 0.01 . . . . . . A 107 MET N . 30676 1 1186 . 1 . 1 108 108 GLN H H 1 8.467 0.00 . . . . . . A 108 GLN H . 30676 1 1187 . 1 . 1 108 108 GLN HB2 H 1 1.943 0.00 . . . . . . A 108 GLN HB2 . 30676 1 1188 . 1 . 1 108 108 GLN HB3 H 1 1.943 0.00 . . . . . . A 108 GLN HB3 . 30676 1 1189 . 1 . 1 108 108 GLN HG2 H 1 2.866 0.00 . . . . . . A 108 GLN HG2 . 30676 1 1190 . 1 . 1 108 108 GLN HG3 H 1 2.168 0.00 . . . . . . A 108 GLN HG3 . 30676 1 1191 . 1 . 1 108 108 GLN HE21 H 1 6.474 0.33 . . . . . . A 108 GLN HE21 . 30676 1 1192 . 1 . 1 108 108 GLN HE22 H 1 7.128 0.33 . . . . . . A 108 GLN HE22 . 30676 1 1193 . 1 . 1 108 108 GLN CA C 13 57.626 0.00 . . . . . . A 108 GLN CA . 30676 1 1194 . 1 . 1 108 108 GLN CB C 13 25.584 0.00 . . . . . . A 108 GLN CB . 30676 1 1195 . 1 . 1 108 108 GLN CG C 13 34.941 0.00 . . . . . . A 108 GLN CG . 30676 1 1196 . 1 . 1 108 108 GLN N N 15 115.734 0.01 . . . . . . A 108 GLN N . 30676 1 1197 . 1 . 1 108 108 GLN NE2 N 15 112.415 0.00 . . . . . . A 108 GLN NE2 . 30676 1 1198 . 1 . 1 109 109 LYS H H 1 6.933 0.00 . . . . . . A 109 LYS H . 30676 1 1199 . 1 . 1 109 109 LYS HA H 1 4.692 0.14 . . . . . . A 109 LYS HA . 30676 1 1200 . 1 . 1 109 109 LYS HB2 H 1 1.948 0.00 . . . . . . A 109 LYS HB2 . 30676 1 1201 . 1 . 1 109 109 LYS HB3 H 1 1.678 0.12 . . . . . . A 109 LYS HB3 . 30676 1 1202 . 1 . 1 109 109 LYS HG2 H 1 1.420 0.02 . . . . . . A 109 LYS HG2 . 30676 1 1203 . 1 . 1 109 109 LYS HG3 H 1 1.383 0.01 . . . . . . A 109 LYS HG3 . 30676 1 1204 . 1 . 1 109 109 LYS HD2 H 1 1.742 0.05 . . . . . . A 109 LYS HD2 . 30676 1 1205 . 1 . 1 109 109 LYS HD3 H 1 1.673 0.02 . . . . . . A 109 LYS HD3 . 30676 1 1206 . 1 . 1 109 109 LYS HE2 H 1 3.044 0.01 . . . . . . A 109 LYS HE2 . 30676 1 1207 . 1 . 1 109 109 LYS HE3 H 1 3.058 0.00 . . . . . . A 109 LYS HE3 . 30676 1 1208 . 1 . 1 109 109 LYS C C 13 176.141 0.05 . . . . . . A 109 LYS C . 30676 1 1209 . 1 . 1 109 109 LYS CA C 13 54.532 0.05 . . . . . . A 109 LYS CA . 30676 1 1210 . 1 . 1 109 109 LYS CB C 13 35.356 0.02 . . . . . . A 109 LYS CB . 30676 1 1211 . 1 . 1 109 109 LYS CG C 13 24.524 0.02 . . . . . . A 109 LYS CG . 30676 1 1212 . 1 . 1 109 109 LYS CD C 13 28.722 0.06 . . . . . . A 109 LYS CD . 30676 1 1213 . 1 . 1 109 109 LYS CE C 13 42.217 0.06 . . . . . . A 109 LYS CE . 30676 1 1214 . 1 . 1 109 109 LYS N N 15 115.981 0.01 . . . . . . A 109 LYS N . 30676 1 1215 . 1 . 1 110 110 THR H H 1 9.108 0.00 . . . . . . A 110 THR H . 30676 1 1216 . 1 . 1 110 110 THR HA H 1 4.359 0.03 . . . . . . A 110 THR HA . 30676 1 1217 . 1 . 1 110 110 THR HB H 1 4.263 0.00 . . . . . . A 110 THR HB . 30676 1 1218 . 1 . 1 110 110 THR HG21 H 1 1.187 0.01 . . . . . . A 110 THR HG21 . 30676 1 1219 . 1 . 1 110 110 THR HG22 H 1 1.187 0.01 . . . . . . A 110 THR HG22 . 30676 1 1220 . 1 . 1 110 110 THR HG23 H 1 1.187 0.01 . . . . . . A 110 THR HG23 . 30676 1 1221 . 1 . 1 110 110 THR C C 13 171.585 0.00 . . . . . . A 110 THR C . 30676 1 1222 . 1 . 1 110 110 THR CA C 13 62.587 0.00 . . . . . . A 110 THR CA . 30676 1 1223 . 1 . 1 110 110 THR CB C 13 68.686 0.00 . . . . . . A 110 THR CB . 30676 1 1224 . 1 . 1 110 110 THR CG2 C 13 21.760 21.20 . . . . . . A 110 THR CG2 . 30676 1 1225 . 1 . 1 110 110 THR N N 15 122.037 0.02 . . . . . . A 110 THR N . 30676 1 1226 . 1 . 1 111 111 ASP H H 1 8.968 0.00 . . . . . . A 111 ASP H . 30676 1 1227 . 1 . 1 111 111 ASP HA H 1 5.261 0.00 . . . . . . A 111 ASP HA . 30676 1 1228 . 1 . 1 111 111 ASP HB2 H 1 3.166 0.00 . . . . . . A 111 ASP HB2 . 30676 1 1229 . 1 . 1 111 111 ASP HB3 H 1 2.560 0.00 . . . . . . A 111 ASP HB3 . 30676 1 1230 . 1 . 1 111 111 ASP C C 13 176.587 0.10 . . . . . . A 111 ASP C . 30676 1 1231 . 1 . 1 111 111 ASP CA C 13 53.270 0.10 . . . . . . A 111 ASP CA . 30676 1 1232 . 1 . 1 111 111 ASP CB C 13 44.443 0.08 . . . . . . A 111 ASP CB . 30676 1 1233 . 1 . 1 111 111 ASP N N 15 123.148 0.01 . . . . . . A 111 ASP N . 30676 1 1234 . 1 . 1 112 112 PHE H H 1 8.491 0.00 . . . . . . A 112 PHE H . 30676 1 1235 . 1 . 1 112 112 PHE C C 13 173.137 9.91 . . . . . . A 112 PHE C . 30676 1 1236 . 1 . 1 112 112 PHE CA C 13 57.644 9.91 . . . . . . A 112 PHE CA . 30676 1 1237 . 1 . 1 112 112 PHE CB C 13 40.103 0.03 . . . . . . A 112 PHE CB . 30676 1 1238 . 1 . 1 112 112 PHE N N 15 122.525 0.01 . . . . . . A 112 PHE N . 30676 1 1239 . 1 . 1 113 113 PRO HA H 1 4.802 0.00 . . . . . . A 113 PRO HA . 30676 1 1240 . 1 . 1 113 113 PRO HB2 H 1 2.463 0.00 . . . . . . A 113 PRO HB2 . 30676 1 1241 . 1 . 1 113 113 PRO HB3 H 1 2.463 0.00 . . . . . . A 113 PRO HB3 . 30676 1 1242 . 1 . 1 113 113 PRO HG2 H 1 2.123 0.00 . . . . . . A 113 PRO HG2 . 30676 1 1243 . 1 . 1 113 113 PRO HG3 H 1 2.123 0.00 . . . . . . A 113 PRO HG3 . 30676 1 1244 . 1 . 1 113 113 PRO HD2 H 1 2.962 0.00 . . . . . . A 113 PRO HD2 . 30676 1 1245 . 1 . 1 113 113 PRO HD3 H 1 2.962 0.00 . . . . . . A 113 PRO HD3 . 30676 1 1246 . 1 . 1 113 113 PRO C C 13 177.920 0.00 . . . . . . A 113 PRO C . 30676 1 1247 . 1 . 1 113 113 PRO CA C 13 61.768 0.00 . . . . . . A 113 PRO CA . 30676 1 1248 . 1 . 1 113 113 PRO CB C 13 32.254 0.00 . . . . . . A 113 PRO CB . 30676 1 1249 . 1 . 1 113 113 PRO CG C 13 28.743 0.00 . . . . . . A 113 PRO CG . 30676 1 1250 . 1 . 1 114 114 GLY H H 1 9.152 0.00 . . . . . . A 114 GLY H . 30676 1 1251 . 1 . 1 114 114 GLY HA2 H 1 4.210 0.00 . . . . . . A 114 GLY HA2 . 30676 1 1252 . 1 . 1 114 114 GLY HA3 H 1 4.062 0.00 . . . . . . A 114 GLY HA3 . 30676 1 1253 . 1 . 1 114 114 GLY C C 13 176.758 0.06 . . . . . . A 114 GLY C . 30676 1 1254 . 1 . 1 114 114 GLY CA C 13 48.163 0.06 . . . . . . A 114 GLY CA . 30676 1 1255 . 1 . 1 114 114 GLY N N 15 109.942 0.02 . . . . . . A 114 GLY N . 30676 1 1256 . 1 . 1 115 115 ALA H H 1 8.932 0.00 . . . . . . A 115 ALA H . 30676 1 1257 . 1 . 1 115 115 ALA HA H 1 4.049 0.00 . . . . . . A 115 ALA HA . 30676 1 1258 . 1 . 1 115 115 ALA HB1 H 1 1.623 0.00 . . . . . . A 115 ALA HB1 . 30676 1 1259 . 1 . 1 115 115 ALA HB2 H 1 1.623 0.00 . . . . . . A 115 ALA HB2 . 30676 1 1260 . 1 . 1 115 115 ALA HB3 H 1 1.623 0.00 . . . . . . A 115 ALA HB3 . 30676 1 1261 . 1 . 1 115 115 ALA C C 13 180.317 0.08 . . . . . . A 115 ALA C . 30676 1 1262 . 1 . 1 115 115 ALA CA C 13 55.176 0.08 . . . . . . A 115 ALA CA . 30676 1 1263 . 1 . 1 115 115 ALA CB C 13 19.070 0.03 . . . . . . A 115 ALA CB . 30676 1 1264 . 1 . 1 115 115 ALA N N 15 121.175 0.01 . . . . . . A 115 ALA N . 30676 1 1265 . 1 . 1 116 116 PHE H H 1 7.294 0.00 . . . . . . A 116 PHE H . 30676 1 1266 . 1 . 1 116 116 PHE HA H 1 3.377 0.00 . . . . . . A 116 PHE HA . 30676 1 1267 . 1 . 1 116 116 PHE HB2 H 1 2.572 0.01 . . . . . . A 116 PHE HB2 . 30676 1 1268 . 1 . 1 116 116 PHE HB3 H 1 1.846 0.01 . . . . . . A 116 PHE HB3 . 30676 1 1269 . 1 . 1 116 116 PHE HD1 H 1 5.799 0.00 . . . . . . A 116 PHE HD1 . 30676 1 1270 . 1 . 1 116 116 PHE HE1 H 1 6.794 0.00 . . . . . . A 116 PHE HE1 . 30676 1 1271 . 1 . 1 116 116 PHE C C 13 176.008 9.91 . . . . . . A 116 PHE C . 30676 1 1272 . 1 . 1 116 116 PHE CA C 13 56.742 9.91 . . . . . . A 116 PHE CA . 30676 1 1273 . 1 . 1 116 116 PHE CB C 13 37.849 0.03 . . . . . . A 116 PHE CB . 30676 1 1274 . 1 . 1 116 116 PHE N N 15 116.290 0.01 . . . . . . A 116 PHE N . 30676 1 1275 . 1 . 1 117 117 TYR H H 1 6.860 0.01 . . . . . . A 117 TYR H . 30676 1 1276 . 1 . 1 117 117 TYR HA H 1 3.723 0.01 . . . . . . A 117 TYR HA . 30676 1 1277 . 1 . 1 117 117 TYR HB2 H 1 2.960 0.00 . . . . . . A 117 TYR HB2 . 30676 1 1278 . 1 . 1 117 117 TYR HB3 H 1 2.829 0.01 . . . . . . A 117 TYR HB3 . 30676 1 1279 . 1 . 1 117 117 TYR HD1 H 1 6.890 0.00 . . . . . . A 117 TYR HD1 . 30676 1 1280 . 1 . 1 117 117 TYR HD2 H 1 6.886 0.00 . . . . . . A 117 TYR HD2 . 30676 1 1281 . 1 . 1 117 117 TYR C C 13 177.677 14.06 . . . . . . A 117 TYR C . 30676 1 1282 . 1 . 1 117 117 TYR CA C 13 52.377 14.06 . . . . . . A 117 TYR CA . 30676 1 1283 . 1 . 1 117 117 TYR CB C 13 37.343 0.05 . . . . . . A 117 TYR CB . 30676 1 1284 . 1 . 1 117 117 TYR N N 15 117.349 0.01 . . . . . . A 117 TYR N . 30676 1 1285 . 1 . 1 118 118 ARG H H 1 8.021 0.00 . . . . . . A 118 ARG H . 30676 1 1286 . 1 . 1 118 118 ARG HA H 1 3.880 0.00 . . . . . . A 118 ARG HA . 30676 1 1287 . 1 . 1 118 118 ARG HB2 H 1 1.866 0.07 . . . . . . A 118 ARG HB2 . 30676 1 1288 . 1 . 1 118 118 ARG HB3 H 1 1.736 0.04 . . . . . . A 118 ARG HB3 . 30676 1 1289 . 1 . 1 118 118 ARG HG2 H 1 1.492 0.00 . . . . . . A 118 ARG HG2 . 30676 1 1290 . 1 . 1 118 118 ARG HG3 H 1 1.558 0.07 . . . . . . A 118 ARG HG3 . 30676 1 1291 . 1 . 1 118 118 ARG HD2 H 1 3.155 0.00 . . . . . . A 118 ARG HD2 . 30676 1 1292 . 1 . 1 118 118 ARG HD3 H 1 3.159 0.01 . . . . . . A 118 ARG HD3 . 30676 1 1293 . 1 . 1 118 118 ARG C C 13 178.479 10.48 . . . . . . A 118 ARG C . 30676 1 1294 . 1 . 1 118 118 ARG CA C 13 55.170 10.48 . . . . . . A 118 ARG CA . 30676 1 1295 . 1 . 1 118 118 ARG CB C 13 29.686 0.08 . . . . . . A 118 ARG CB . 30676 1 1296 . 1 . 1 118 118 ARG CG C 13 27.595 0.00 . . . . . . A 118 ARG CG . 30676 1 1297 . 1 . 1 118 118 ARG CD C 13 42.995 0.02 . . . . . . A 118 ARG CD . 30676 1 1298 . 1 . 1 118 118 ARG N N 15 117.717 0.01 . . . . . . A 118 ARG N . 30676 1 1299 . 1 . 1 119 119 ARG H H 1 6.988 0.00 . . . . . . A 119 ARG H . 30676 1 1300 . 1 . 1 119 119 ARG HA H 1 4.056 0.01 . . . . . . A 119 ARG HA . 30676 1 1301 . 1 . 1 119 119 ARG HB2 H 1 1.786 0.04 . . . . . . A 119 ARG HB2 . 30676 1 1302 . 1 . 1 119 119 ARG HB3 H 1 1.719 0.05 . . . . . . A 119 ARG HB3 . 30676 1 1303 . 1 . 1 119 119 ARG HG2 H 1 1.750 0.11 . . . . . . A 119 ARG HG2 . 30676 1 1304 . 1 . 1 119 119 ARG HG3 H 1 1.615 0.04 . . . . . . A 119 ARG HG3 . 30676 1 1305 . 1 . 1 119 119 ARG HD2 H 1 3.346 0.01 . . . . . . A 119 ARG HD2 . 30676 1 1306 . 1 . 1 119 119 ARG HD3 H 1 3.032 0.01 . . . . . . A 119 ARG HD3 . 30676 1 1307 . 1 . 1 119 119 ARG C C 13 178.017 0.14 . . . . . . A 119 ARG C . 30676 1 1308 . 1 . 1 119 119 ARG CA C 13 58.243 0.14 . . . . . . A 119 ARG CA . 30676 1 1309 . 1 . 1 119 119 ARG CB C 13 30.436 0.07 . . . . . . A 119 ARG CB . 30676 1 1310 . 1 . 1 119 119 ARG CG C 13 26.629 0.01 . . . . . . A 119 ARG CG . 30676 1 1311 . 1 . 1 119 119 ARG CD C 13 44.146 0.03 . . . . . . A 119 ARG CD . 30676 1 1312 . 1 . 1 119 119 ARG N N 15 118.395 0.01 . . . . . . A 119 ARG N . 30676 1 1313 . 1 . 1 120 120 LEU H H 1 8.050 0.00 . . . . . . A 120 LEU H . 30676 1 1314 . 1 . 1 120 120 LEU HA H 1 3.643 0.00 . . . . . . A 120 LEU HA . 30676 1 1315 . 1 . 1 120 120 LEU HB2 H 1 1.346 0.01 . . . . . . A 120 LEU HB2 . 30676 1 1316 . 1 . 1 120 120 LEU HB3 H 1 1.278 0.06 . . . . . . A 120 LEU HB3 . 30676 1 1317 . 1 . 1 120 120 LEU HG H 1 0.717 0.21 . . . . . . A 120 LEU HG . 30676 1 1318 . 1 . 1 120 120 LEU HD11 H 1 0.530 0.00 . . . . . . A 120 LEU HD11 . 30676 1 1319 . 1 . 1 120 120 LEU HD12 H 1 0.530 0.00 . . . . . . A 120 LEU HD12 . 30676 1 1320 . 1 . 1 120 120 LEU HD13 H 1 0.530 0.00 . . . . . . A 120 LEU HD13 . 30676 1 1321 . 1 . 1 120 120 LEU HD21 H 1 0.533 0.01 . . . . . . A 120 LEU HD21 . 30676 1 1322 . 1 . 1 120 120 LEU HD22 H 1 0.533 0.01 . . . . . . A 120 LEU HD22 . 30676 1 1323 . 1 . 1 120 120 LEU HD23 H 1 0.533 0.01 . . . . . . A 120 LEU HD23 . 30676 1 1324 . 1 . 1 120 120 LEU C C 13 177.068 0.09 . . . . . . A 120 LEU C . 30676 1 1325 . 1 . 1 120 120 LEU CA C 13 57.518 0.09 . . . . . . A 120 LEU CA . 30676 1 1326 . 1 . 1 120 120 LEU CB C 13 43.138 0.06 . . . . . . A 120 LEU CB . 30676 1 1327 . 1 . 1 120 120 LEU CG C 13 26.378 0.00 . . . . . . A 120 LEU CG . 30676 1 1328 . 1 . 1 120 120 LEU CD1 C 13 23.035 0.04 . . . . . . A 120 LEU CD1 . 30676 1 1329 . 1 . 1 120 120 LEU CD2 C 13 23.042 0.05 . . . . . . A 120 LEU CD2 . 30676 1 1330 . 1 . 1 120 120 LEU N N 15 119.863 0.01 . . . . . . A 120 LEU N . 30676 1 1331 . 1 . 1 121 121 LEU H H 1 8.143 0.00 . . . . . . A 121 LEU H . 30676 1 1332 . 1 . 1 121 121 LEU HA H 1 3.917 0.00 . . . . . . A 121 LEU HA . 30676 1 1333 . 1 . 1 121 121 LEU HB2 H 1 1.349 0.01 . . . . . . A 121 LEU HB2 . 30676 1 1334 . 1 . 1 121 121 LEU HB3 H 1 1.349 0.06 . . . . . . A 121 LEU HB3 . 30676 1 1335 . 1 . 1 121 121 LEU HG H 1 1.103 0.21 . . . . . . A 121 LEU HG . 30676 1 1336 . 1 . 1 121 121 LEU HD11 H 1 0.479 0.00 . . . . . . A 121 LEU HD11 . 30676 1 1337 . 1 . 1 121 121 LEU HD12 H 1 0.479 0.00 . . . . . . A 121 LEU HD12 . 30676 1 1338 . 1 . 1 121 121 LEU HD13 H 1 0.479 0.00 . . . . . . A 121 LEU HD13 . 30676 1 1339 . 1 . 1 121 121 LEU HD21 H 1 0.479 0.01 . . . . . . A 121 LEU HD21 . 30676 1 1340 . 1 . 1 121 121 LEU HD22 H 1 0.479 0.01 . . . . . . A 121 LEU HD22 . 30676 1 1341 . 1 . 1 121 121 LEU HD23 H 1 0.479 0.01 . . . . . . A 121 LEU HD23 . 30676 1 1342 . 1 . 1 121 121 LEU C C 13 177.984 0.09 . . . . . . A 121 LEU C . 30676 1 1343 . 1 . 1 121 121 LEU CA C 13 55.242 0.09 . . . . . . A 121 LEU CA . 30676 1 1344 . 1 . 1 121 121 LEU CB C 13 41.651 0.06 . . . . . . A 121 LEU CB . 30676 1 1345 . 1 . 1 121 121 LEU N N 15 114.389 0.01 . . . . . . A 121 LEU N . 30676 1 1346 . 1 . 1 122 122 GLY H H 1 7.463 0.00 . . . . . . A 122 GLY H . 30676 1 1347 . 1 . 1 122 122 GLY HA2 H 1 4.122 0.01 . . . . . . A 122 GLY HA2 . 30676 1 1348 . 1 . 1 122 122 GLY HA3 H 1 3.837 0.01 . . . . . . A 122 GLY HA3 . 30676 1 1349 . 1 . 1 122 122 GLY C C 13 174.238 0.05 . . . . . . A 122 GLY C . 30676 1 1350 . 1 . 1 122 122 GLY CA C 13 45.659 0.05 . . . . . . A 122 GLY CA . 30676 1 1351 . 1 . 1 122 122 GLY N N 15 106.469 0.00 . . . . . . A 122 GLY N . 30676 1 1352 . 1 . 1 123 123 TYR H H 1 7.725 0.00 . . . . . . A 123 TYR H . 30676 1 1353 . 1 . 1 123 123 TYR HA H 1 4.641 0.00 . . . . . . A 123 TYR HA . 30676 1 1354 . 1 . 1 123 123 TYR HB2 H 1 3.152 0.00 . . . . . . A 123 TYR HB2 . 30676 1 1355 . 1 . 1 123 123 TYR HB3 H 1 2.913 0.00 . . . . . . A 123 TYR HB3 . 30676 1 1356 . 1 . 1 123 123 TYR HD2 H 1 7.027 0.00 . . . . . . A 123 TYR HD2 . 30676 1 1357 . 1 . 1 123 123 TYR HE2 H 1 6.761 0.00 . . . . . . A 123 TYR HE2 . 30676 1 1358 . 1 . 1 123 123 TYR C C 13 175.113 0.09 . . . . . . A 123 TYR C . 30676 1 1359 . 1 . 1 123 123 TYR CA C 13 57.100 0.09 . . . . . . A 123 TYR CA . 30676 1 1360 . 1 . 1 123 123 TYR CB C 13 38.670 0.04 . . . . . . A 123 TYR CB . 30676 1 1361 . 1 . 1 123 123 TYR N N 15 118.142 0.01 . . . . . . A 123 TYR N . 30676 1 1362 . 1 . 1 124 124 ASP H H 1 8.470 0.00 . . . . . . A 124 ASP H . 30676 1 1363 . 1 . 1 124 124 ASP HA H 1 4.691 0.00 . . . . . . A 124 ASP HA . 30676 1 1364 . 1 . 1 124 124 ASP HB2 H 1 2.743 0.00 . . . . . . A 124 ASP HB2 . 30676 1 1365 . 1 . 1 124 124 ASP HB3 H 1 2.590 0.00 . . . . . . A 124 ASP HB3 . 30676 1 1366 . 1 . 1 124 124 ASP C C 13 175.143 0.14 . . . . . . A 124 ASP C . 30676 1 1367 . 1 . 1 124 124 ASP CA C 13 54.199 0.14 . . . . . . A 124 ASP CA . 30676 1 1368 . 1 . 1 124 124 ASP CB C 13 41.546 0.04 . . . . . . A 124 ASP CB . 30676 1 1369 . 1 . 1 124 124 ASP N N 15 120.728 0.00 . . . . . . A 124 ASP N . 30676 1 1370 . 1 . 1 125 125 SER H H 1 7.807 0.00 . . . . . . A 125 SER H . 30676 1 1371 . 1 . 1 125 125 SER HB2 H 1 3.695 0.00 . . . . . . A 125 SER HB2 . 30676 1 1372 . 1 . 1 125 125 SER HB3 H 1 3.695 0.00 . . . . . . A 125 SER HB3 . 30676 1 1373 . 1 . 1 125 125 SER C C 13 178.536 0.14 . . . . . . A 125 SER C . 30676 1 1374 . 1 . 1 125 125 SER CA C 13 60.105 0.14 . . . . . . A 125 SER CA . 30676 1 1375 . 1 . 1 125 125 SER CB C 13 65.052 0.14 . . . . . . A 125 SER CB . 30676 1 1376 . 1 . 1 125 125 SER N N 15 120.943 0.01 . . . . . . A 125 SER N . 30676 1 stop_ save_