data_30161 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30161 _Entry.Title ; Solution structure of response regulator protein from Burkholderia multivorans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-08-26 _Entry.Accession_date 2016-08-26 _Entry.Last_release_date 2016-09-09 _Entry.Original_release_date 2016-09-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 F. Yang F. . . . 30161 2 Y.-B. Lim . . . . 30161 3 R. Barnwal R. . . . 30161 4 G. Varani G. . . . 30161 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'NIAID, National Institute of Allergy and Infectious Diseases' 'Seattle Structural Genomics Center for Infectious Disease' SSGCID 30161 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'SIGNALING PROTEIN' . 30161 SSGCID . 30161 'Seattle Structural Genomics Center for Infectious Disease' . 30161 'Structural Genomics' . 30161 'response regulator' . 30161 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30161 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 468 30161 '15N chemical shifts' 111 30161 '1H chemical shifts' 736 30161 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-09-09 . original BMRB . 30161 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5T3Y 'BMRB Entry Tracking System' 30161 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30161 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of response regulator protein from Burkholderia multivorans ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 F. Yang F. . . . 30161 1 2 Y.-B. Lim . . . . 30161 1 3 R. Barnwal R. . . . 30161 1 4 G. Varani G. . . . 30161 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30161 _Assembly.ID 1 _Assembly.Name 'Two-component system response regulator' _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 . . . . . . 30161 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30161 _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 ; MIRTILAIDDSATMRALLHA TLAQAGYEVTVAADGEAGFD LAATTAYDLVLTDQNMPRKS GLELIAALRQLSAYADTPIL VLTTEGSDAFKAAARDAGAT GWIEKPIDPGVLVELVATLS EPAAN ; _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 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13024.712 _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 . 30161 1 2 . ILE . 30161 1 3 . ARG . 30161 1 4 . THR . 30161 1 5 . ILE . 30161 1 6 . LEU . 30161 1 7 . ALA . 30161 1 8 . ILE . 30161 1 9 . ASP . 30161 1 10 . ASP . 30161 1 11 . SER . 30161 1 12 . ALA . 30161 1 13 . THR . 30161 1 14 . MET . 30161 1 15 . ARG . 30161 1 16 . ALA . 30161 1 17 . LEU . 30161 1 18 . LEU . 30161 1 19 . HIS . 30161 1 20 . ALA . 30161 1 21 . THR . 30161 1 22 . LEU . 30161 1 23 . ALA . 30161 1 24 . GLN . 30161 1 25 . ALA . 30161 1 26 . GLY . 30161 1 27 . TYR . 30161 1 28 . GLU . 30161 1 29 . VAL . 30161 1 30 . THR . 30161 1 31 . VAL . 30161 1 32 . ALA . 30161 1 33 . ALA . 30161 1 34 . ASP . 30161 1 35 . GLY . 30161 1 36 . GLU . 30161 1 37 . ALA . 30161 1 38 . GLY . 30161 1 39 . PHE . 30161 1 40 . ASP . 30161 1 41 . LEU . 30161 1 42 . ALA . 30161 1 43 . ALA . 30161 1 44 . THR . 30161 1 45 . THR . 30161 1 46 . ALA . 30161 1 47 . TYR . 30161 1 48 . ASP . 30161 1 49 . LEU . 30161 1 50 . VAL . 30161 1 51 . LEU . 30161 1 52 . THR . 30161 1 53 . ASP . 30161 1 54 . GLN . 30161 1 55 . ASN . 30161 1 56 . MET . 30161 1 57 . PRO . 30161 1 58 . ARG . 30161 1 59 . LYS . 30161 1 60 . SER . 30161 1 61 . GLY . 30161 1 62 . LEU . 30161 1 63 . GLU . 30161 1 64 . LEU . 30161 1 65 . ILE . 30161 1 66 . ALA . 30161 1 67 . ALA . 30161 1 68 . LEU . 30161 1 69 . ARG . 30161 1 70 . GLN . 30161 1 71 . LEU . 30161 1 72 . SER . 30161 1 73 . ALA . 30161 1 74 . TYR . 30161 1 75 . ALA . 30161 1 76 . ASP . 30161 1 77 . THR . 30161 1 78 . PRO . 30161 1 79 . ILE . 30161 1 80 . LEU . 30161 1 81 . VAL . 30161 1 82 . LEU . 30161 1 83 . THR . 30161 1 84 . THR . 30161 1 85 . GLU . 30161 1 86 . GLY . 30161 1 87 . SER . 30161 1 88 . ASP . 30161 1 89 . ALA . 30161 1 90 . PHE . 30161 1 91 . LYS . 30161 1 92 . ALA . 30161 1 93 . ALA . 30161 1 94 . ALA . 30161 1 95 . ARG . 30161 1 96 . ASP . 30161 1 97 . ALA . 30161 1 98 . GLY . 30161 1 99 . ALA . 30161 1 100 . THR . 30161 1 101 . GLY . 30161 1 102 . TRP . 30161 1 103 . ILE . 30161 1 104 . GLU . 30161 1 105 . LYS . 30161 1 106 . PRO . 30161 1 107 . ILE . 30161 1 108 . ASP . 30161 1 109 . PRO . 30161 1 110 . GLY . 30161 1 111 . VAL . 30161 1 112 . LEU . 30161 1 113 . VAL . 30161 1 114 . GLU . 30161 1 115 . LEU . 30161 1 116 . VAL . 30161 1 117 . ALA . 30161 1 118 . THR . 30161 1 119 . LEU . 30161 1 120 . SER . 30161 1 121 . GLU . 30161 1 122 . PRO . 30161 1 123 . ALA . 30161 1 124 . ALA . 30161 1 125 . ASN . 30161 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 30161 1 . ILE 2 2 30161 1 . ARG 3 3 30161 1 . THR 4 4 30161 1 . ILE 5 5 30161 1 . LEU 6 6 30161 1 . ALA 7 7 30161 1 . ILE 8 8 30161 1 . ASP 9 9 30161 1 . ASP 10 10 30161 1 . SER 11 11 30161 1 . ALA 12 12 30161 1 . THR 13 13 30161 1 . MET 14 14 30161 1 . ARG 15 15 30161 1 . ALA 16 16 30161 1 . LEU 17 17 30161 1 . LEU 18 18 30161 1 . HIS 19 19 30161 1 . ALA 20 20 30161 1 . THR 21 21 30161 1 . LEU 22 22 30161 1 . ALA 23 23 30161 1 . GLN 24 24 30161 1 . ALA 25 25 30161 1 . GLY 26 26 30161 1 . TYR 27 27 30161 1 . GLU 28 28 30161 1 . VAL 29 29 30161 1 . THR 30 30 30161 1 . VAL 31 31 30161 1 . ALA 32 32 30161 1 . ALA 33 33 30161 1 . ASP 34 34 30161 1 . GLY 35 35 30161 1 . GLU 36 36 30161 1 . ALA 37 37 30161 1 . GLY 38 38 30161 1 . PHE 39 39 30161 1 . ASP 40 40 30161 1 . LEU 41 41 30161 1 . ALA 42 42 30161 1 . ALA 43 43 30161 1 . THR 44 44 30161 1 . THR 45 45 30161 1 . ALA 46 46 30161 1 . TYR 47 47 30161 1 . ASP 48 48 30161 1 . LEU 49 49 30161 1 . VAL 50 50 30161 1 . LEU 51 51 30161 1 . THR 52 52 30161 1 . ASP 53 53 30161 1 . GLN 54 54 30161 1 . ASN 55 55 30161 1 . MET 56 56 30161 1 . PRO 57 57 30161 1 . ARG 58 58 30161 1 . LYS 59 59 30161 1 . SER 60 60 30161 1 . GLY 61 61 30161 1 . LEU 62 62 30161 1 . GLU 63 63 30161 1 . LEU 64 64 30161 1 . ILE 65 65 30161 1 . ALA 66 66 30161 1 . ALA 67 67 30161 1 . LEU 68 68 30161 1 . ARG 69 69 30161 1 . GLN 70 70 30161 1 . LEU 71 71 30161 1 . SER 72 72 30161 1 . ALA 73 73 30161 1 . TYR 74 74 30161 1 . ALA 75 75 30161 1 . ASP 76 76 30161 1 . THR 77 77 30161 1 . PRO 78 78 30161 1 . ILE 79 79 30161 1 . LEU 80 80 30161 1 . VAL 81 81 30161 1 . LEU 82 82 30161 1 . THR 83 83 30161 1 . THR 84 84 30161 1 . GLU 85 85 30161 1 . GLY 86 86 30161 1 . SER 87 87 30161 1 . ASP 88 88 30161 1 . ALA 89 89 30161 1 . PHE 90 90 30161 1 . LYS 91 91 30161 1 . ALA 92 92 30161 1 . ALA 93 93 30161 1 . ALA 94 94 30161 1 . ARG 95 95 30161 1 . ASP 96 96 30161 1 . ALA 97 97 30161 1 . GLY 98 98 30161 1 . ALA 99 99 30161 1 . THR 100 100 30161 1 . GLY 101 101 30161 1 . TRP 102 102 30161 1 . ILE 103 103 30161 1 . GLU 104 104 30161 1 . LYS 105 105 30161 1 . PRO 106 106 30161 1 . ILE 107 107 30161 1 . ASP 108 108 30161 1 . PRO 109 109 30161 1 . GLY 110 110 30161 1 . VAL 111 111 30161 1 . LEU 112 112 30161 1 . VAL 113 113 30161 1 . GLU 114 114 30161 1 . LEU 115 115 30161 1 . VAL 116 116 30161 1 . ALA 117 117 30161 1 . THR 118 118 30161 1 . LEU 119 119 30161 1 . SER 120 120 30161 1 . GLU 121 121 30161 1 . PRO 122 122 30161 1 . ALA 123 123 30161 1 . ALA 124 124 30161 1 . ASN 125 125 30161 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 30161 _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 . 87883 organism . 'Burkholderia multivorans' 'Burkholderia multivorans' . . Bacteria . Burkholderia multivorans . . . . . . . . . . . WK80_10940 . 30161 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 30161 _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' . . 562 Escherichia coli . . . . . . . . . . 30161 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30161 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 30161 1 2 'response regulator protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 30161 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30161 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-13C; U-15N] response regulator protein, 25 mM HEPES, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 30161 2 2 'response regulator protein' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 30161 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30161 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 30161 1 pH 6.0 . pH 30161 1 pressure 1 . atm 30161 1 temperature 298 . K 30161 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30161 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30161 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30161 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30161 _Software.ID 2 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30161 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30161 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30161 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30161 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30161 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30161 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30161 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 30161 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30161 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30161 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30161 5 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 30161 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30161 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 30161 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 30161 1 2 NMR_spectrometer_2 Bruker Avance . 500 . . . 30161 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 30161 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30161 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30161 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30161 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30161 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30161 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30161 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30161 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30161 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30161 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30161 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30161 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 30161 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30161 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30161 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30161 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 30161 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 30161 1 2 '2D 1H-13C HSQC' . . . 30161 1 3 '3D CBCA(CO)NH' . . . 30161 1 4 '3D HNCACB' . . . 30161 1 6 '3D HNCO' . . . 30161 1 7 '3D HBHA(CO)NH' . . . 30161 1 8 '3D HCCH-TOCSY' . . . 30161 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 30161 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.401 0.000 . . . . . A 1 MET HA . 30161 1 2 . 1 1 1 1 MET HB2 H 1 1.935 0.000 . . . . . A 1 MET HB2 . 30161 1 3 . 1 1 1 1 MET C C 13 175.986 0.000 . . . . . A 1 MET C . 30161 1 4 . 1 1 1 1 MET CA C 13 55.600 0.020 . . . . . A 1 MET CA . 30161 1 5 . 1 1 1 1 MET CB C 13 33.138 0.042 . . . . . A 1 MET CB . 30161 1 6 . 1 1 1 1 MET N N 15 121.816 0.006 . . . . . A 1 MET N . 30161 1 7 . 1 1 2 2 ILE H H 1 8.107 0.001 . . . . . A 2 ILE H . 30161 1 8 . 1 1 2 2 ILE HA H 1 3.830 0.002 . . . . . A 2 ILE HA . 30161 1 9 . 1 1 2 2 ILE HB H 1 1.716 0.001 . . . . . A 2 ILE HB . 30161 1 10 . 1 1 2 2 ILE HG12 H 1 0.991 0.004 . . . . . A 2 ILE HG12 . 30161 1 11 . 1 1 2 2 ILE HG13 H 1 1.451 0.001 . . . . . A 2 ILE HG13 . 30161 1 12 . 1 1 2 2 ILE HG21 H 1 0.484 0.001 . . . . . A 2 ILE HG21 . 30161 1 13 . 1 1 2 2 ILE HG22 H 1 0.484 0.001 . . . . . A 2 ILE HG22 . 30161 1 14 . 1 1 2 2 ILE HG23 H 1 0.484 0.001 . . . . . A 2 ILE HG23 . 30161 1 15 . 1 1 2 2 ILE HD11 H 1 0.688 0.002 . . . . . A 2 ILE HD11 . 30161 1 16 . 1 1 2 2 ILE HD12 H 1 0.688 0.002 . . . . . A 2 ILE HD12 . 30161 1 17 . 1 1 2 2 ILE HD13 H 1 0.688 0.002 . . . . . A 2 ILE HD13 . 30161 1 18 . 1 1 2 2 ILE C C 13 174.316 0.000 . . . . . A 2 ILE C . 30161 1 19 . 1 1 2 2 ILE CA C 13 61.588 0.026 . . . . . A 2 ILE CA . 30161 1 20 . 1 1 2 2 ILE CB C 13 38.193 0.041 . . . . . A 2 ILE CB . 30161 1 21 . 1 1 2 2 ILE CG1 C 13 27.996 0.035 . . . . . A 2 ILE CG1 . 30161 1 22 . 1 1 2 2 ILE CG2 C 13 17.505 0.033 . . . . . A 2 ILE CG2 . 30161 1 23 . 1 1 2 2 ILE CD1 C 13 13.455 0.028 . . . . . A 2 ILE CD1 . 30161 1 24 . 1 1 2 2 ILE N N 15 123.431 0.005 . . . . . A 2 ILE N . 30161 1 25 . 1 1 3 3 ARG H H 1 9.806 0.001 . . . . . A 3 ARG H . 30161 1 26 . 1 1 3 3 ARG HA H 1 4.716 0.001 . . . . . A 3 ARG HA . 30161 1 27 . 1 1 3 3 ARG HB2 H 1 1.834 0.000 . . . . . A 3 ARG HB2 . 30161 1 28 . 1 1 3 3 ARG HB3 H 1 1.935 0.001 . . . . . A 3 ARG HB3 . 30161 1 29 . 1 1 3 3 ARG HG2 H 1 1.526 0.001 . . . . . A 3 ARG HG2 . 30161 1 30 . 1 1 3 3 ARG HG3 H 1 1.599 0.001 . . . . . A 3 ARG HG3 . 30161 1 31 . 1 1 3 3 ARG HD2 H 1 3.168 0.003 . . . . . A 3 ARG HD2 . 30161 1 32 . 1 1 3 3 ARG C C 13 176.156 0.000 . . . . . A 3 ARG C . 30161 1 33 . 1 1 3 3 ARG CA C 13 57.343 0.025 . . . . . A 3 ARG CA . 30161 1 34 . 1 1 3 3 ARG CB C 13 32.755 0.022 . . . . . A 3 ARG CB . 30161 1 35 . 1 1 3 3 ARG CG C 13 27.209 0.017 . . . . . A 3 ARG CG . 30161 1 36 . 1 1 3 3 ARG CD C 13 42.845 0.005 . . . . . A 3 ARG CD . 30161 1 37 . 1 1 3 3 ARG N N 15 127.627 0.006 . . . . . A 3 ARG N . 30161 1 38 . 1 1 4 4 THR H H 1 8.631 0.002 . . . . . A 4 THR H . 30161 1 39 . 1 1 4 4 THR HA H 1 5.291 0.003 . . . . . A 4 THR HA . 30161 1 40 . 1 1 4 4 THR HB H 1 4.356 0.002 . . . . . A 4 THR HB . 30161 1 41 . 1 1 4 4 THR HG21 H 1 1.166 0.001 . . . . . A 4 THR HG21 . 30161 1 42 . 1 1 4 4 THR HG22 H 1 1.166 0.001 . . . . . A 4 THR HG22 . 30161 1 43 . 1 1 4 4 THR HG23 H 1 1.166 0.001 . . . . . A 4 THR HG23 . 30161 1 44 . 1 1 4 4 THR C C 13 173.925 0.000 . . . . . A 4 THR C . 30161 1 45 . 1 1 4 4 THR CA C 13 58.964 0.045 . . . . . A 4 THR CA . 30161 1 46 . 1 1 4 4 THR CB C 13 71.096 0.025 . . . . . A 4 THR CB . 30161 1 47 . 1 1 4 4 THR CG2 C 13 22.408 0.063 . . . . . A 4 THR CG2 . 30161 1 48 . 1 1 4 4 THR N N 15 110.835 0.012 . . . . . A 4 THR N . 30161 1 49 . 1 1 5 5 ILE H H 1 8.368 0.001 . . . . . A 5 ILE H . 30161 1 50 . 1 1 5 5 ILE HA H 1 4.875 0.000 . . . . . A 5 ILE HA . 30161 1 51 . 1 1 5 5 ILE HB H 1 1.295 0.005 . . . . . A 5 ILE HB . 30161 1 52 . 1 1 5 5 ILE HG12 H 1 0.664 0.003 . . . . . A 5 ILE HG12 . 30161 1 53 . 1 1 5 5 ILE HG13 H 1 1.238 0.001 . . . . . A 5 ILE HG13 . 30161 1 54 . 1 1 5 5 ILE HG21 H 1 0.403 0.002 . . . . . A 5 ILE HG21 . 30161 1 55 . 1 1 5 5 ILE HG22 H 1 0.403 0.002 . . . . . A 5 ILE HG22 . 30161 1 56 . 1 1 5 5 ILE HG23 H 1 0.403 0.002 . . . . . A 5 ILE HG23 . 30161 1 57 . 1 1 5 5 ILE HD11 H 1 0.050 0.001 . . . . . A 5 ILE HD11 . 30161 1 58 . 1 1 5 5 ILE HD12 H 1 0.050 0.001 . . . . . A 5 ILE HD12 . 30161 1 59 . 1 1 5 5 ILE HD13 H 1 0.050 0.001 . . . . . A 5 ILE HD13 . 30161 1 60 . 1 1 5 5 ILE C C 13 173.317 0.000 . . . . . A 5 ILE C . 30161 1 61 . 1 1 5 5 ILE CA C 13 59.542 0.064 . . . . . A 5 ILE CA . 30161 1 62 . 1 1 5 5 ILE CB C 13 43.057 0.034 . . . . . A 5 ILE CB . 30161 1 63 . 1 1 5 5 ILE CG1 C 13 26.877 0.008 . . . . . A 5 ILE CG1 . 30161 1 64 . 1 1 5 5 ILE CG2 C 13 15.855 0.025 . . . . . A 5 ILE CG2 . 30161 1 65 . 1 1 5 5 ILE CD1 C 13 15.435 0.004 . . . . . A 5 ILE CD1 . 30161 1 66 . 1 1 5 5 ILE N N 15 120.009 0.143 . . . . . A 5 ILE N . 30161 1 67 . 1 1 6 6 LEU H H 1 8.124 0.002 . . . . . A 6 LEU H . 30161 1 68 . 1 1 6 6 LEU HA H 1 4.711 0.001 . . . . . A 6 LEU HA . 30161 1 69 . 1 1 6 6 LEU HB2 H 1 -0.384 0.000 . . . . . A 6 LEU HB2 . 30161 1 70 . 1 1 6 6 LEU HB3 H 1 1.142 0.003 . . . . . A 6 LEU HB3 . 30161 1 71 . 1 1 6 6 LEU HG H 1 0.916 0.004 . . . . . A 6 LEU HG . 30161 1 72 . 1 1 6 6 LEU HD11 H 1 0.527 0.001 . . . . . A 6 LEU HD11 . 30161 1 73 . 1 1 6 6 LEU HD12 H 1 0.527 0.001 . . . . . A 6 LEU HD12 . 30161 1 74 . 1 1 6 6 LEU HD13 H 1 0.527 0.001 . . . . . A 6 LEU HD13 . 30161 1 75 . 1 1 6 6 LEU HD21 H 1 0.284 0.001 . . . . . A 6 LEU HD21 . 30161 1 76 . 1 1 6 6 LEU HD22 H 1 0.284 0.001 . . . . . A 6 LEU HD22 . 30161 1 77 . 1 1 6 6 LEU HD23 H 1 0.284 0.001 . . . . . A 6 LEU HD23 . 30161 1 78 . 1 1 6 6 LEU C C 13 173.617 0.000 . . . . . A 6 LEU C . 30161 1 79 . 1 1 6 6 LEU CA C 13 52.471 0.010 . . . . . A 6 LEU CA . 30161 1 80 . 1 1 6 6 LEU CB C 13 42.427 0.015 . . . . . A 6 LEU CB . 30161 1 81 . 1 1 6 6 LEU CG C 13 27.071 0.008 . . . . . A 6 LEU CG . 30161 1 82 . 1 1 6 6 LEU CD1 C 13 26.318 0.047 . . . . . A 6 LEU CD1 . 30161 1 83 . 1 1 6 6 LEU CD2 C 13 22.648 0.014 . . . . . A 6 LEU CD2 . 30161 1 84 . 1 1 6 6 LEU N N 15 129.467 0.036 . . . . . A 6 LEU N . 30161 1 85 . 1 1 7 7 ALA H H 1 8.908 0.002 . . . . . A 7 ALA H . 30161 1 86 . 1 1 7 7 ALA HA H 1 5.304 0.001 . . . . . A 7 ALA HA . 30161 1 87 . 1 1 7 7 ALA HB1 H 1 0.938 0.000 . . . . . A 7 ALA HB1 . 30161 1 88 . 1 1 7 7 ALA HB2 H 1 0.938 0.000 . . . . . A 7 ALA HB2 . 30161 1 89 . 1 1 7 7 ALA HB3 H 1 0.938 0.000 . . . . . A 7 ALA HB3 . 30161 1 90 . 1 1 7 7 ALA C C 13 174.572 0.000 . . . . . A 7 ALA C . 30161 1 91 . 1 1 7 7 ALA CA C 13 49.386 0.037 . . . . . A 7 ALA CA . 30161 1 92 . 1 1 7 7 ALA CB C 13 21.050 0.008 . . . . . A 7 ALA CB . 30161 1 93 . 1 1 7 7 ALA N N 15 129.481 0.039 . . . . . A 7 ALA N . 30161 1 94 . 1 1 8 8 ILE H H 1 8.470 0.001 . . . . . A 8 ILE H . 30161 1 95 . 1 1 8 8 ILE HA H 1 4.581 0.000 . . . . . A 8 ILE HA . 30161 1 96 . 1 1 8 8 ILE HB H 1 1.746 0.001 . . . . . A 8 ILE HB . 30161 1 97 . 1 1 8 8 ILE HG12 H 1 0.565 0.003 . . . . . A 8 ILE HG12 . 30161 1 98 . 1 1 8 8 ILE HG13 H 1 1.285 0.001 . . . . . A 8 ILE HG13 . 30161 1 99 . 1 1 8 8 ILE HG21 H 1 0.445 0.000 . . . . . A 8 ILE HG21 . 30161 1 100 . 1 1 8 8 ILE HG22 H 1 0.445 0.000 . . . . . A 8 ILE HG22 . 30161 1 101 . 1 1 8 8 ILE HG23 H 1 0.445 0.000 . . . . . A 8 ILE HG23 . 30161 1 102 . 1 1 8 8 ILE HD11 H 1 0.569 0.002 . . . . . A 8 ILE HD11 . 30161 1 103 . 1 1 8 8 ILE HD12 H 1 0.569 0.002 . . . . . A 8 ILE HD12 . 30161 1 104 . 1 1 8 8 ILE HD13 H 1 0.569 0.002 . . . . . A 8 ILE HD13 . 30161 1 105 . 1 1 8 8 ILE C C 13 174.675 0.000 . . . . . A 8 ILE C . 30161 1 106 . 1 1 8 8 ILE CA C 13 59.621 0.013 . . . . . A 8 ILE CA . 30161 1 107 . 1 1 8 8 ILE CB C 13 39.745 0.054 . . . . . A 8 ILE CB . 30161 1 108 . 1 1 8 8 ILE CG1 C 13 27.771 0.018 . . . . . A 8 ILE CG1 . 30161 1 109 . 1 1 8 8 ILE CG2 C 13 18.739 0.002 . . . . . A 8 ILE CG2 . 30161 1 110 . 1 1 8 8 ILE CD1 C 13 15.307 0.012 . . . . . A 8 ILE CD1 . 30161 1 111 . 1 1 8 8 ILE N N 15 122.634 0.013 . . . . . A 8 ILE N . 30161 1 112 . 1 1 9 9 ASP H H 1 7.959 0.014 . . . . . A 9 ASP H . 30161 1 113 . 1 1 9 9 ASP HA H 1 4.485 0.002 . . . . . A 9 ASP HA . 30161 1 114 . 1 1 9 9 ASP HB2 H 1 2.182 0.000 . . . . . A 9 ASP HB2 . 30161 1 115 . 1 1 9 9 ASP C C 13 174.564 0.000 . . . . . A 9 ASP C . 30161 1 116 . 1 1 9 9 ASP CA C 13 54.303 0.027 . . . . . A 9 ASP CA . 30161 1 117 . 1 1 9 9 ASP CB C 13 44.635 0.017 . . . . . A 9 ASP CB . 30161 1 118 . 1 1 9 9 ASP N N 15 123.763 0.015 . . . . . A 9 ASP N . 30161 1 119 . 1 1 10 10 ASP H H 1 8.826 0.003 . . . . . A 10 ASP H . 30161 1 120 . 1 1 10 10 ASP HA H 1 4.552 0.001 . . . . . A 10 ASP HA . 30161 1 121 . 1 1 10 10 ASP HB2 H 1 2.450 0.002 . . . . . A 10 ASP HB2 . 30161 1 122 . 1 1 10 10 ASP HB3 H 1 2.728 0.001 . . . . . A 10 ASP HB3 . 30161 1 123 . 1 1 10 10 ASP C C 13 176.384 0.000 . . . . . A 10 ASP C . 30161 1 124 . 1 1 10 10 ASP CA C 13 55.908 0.014 . . . . . A 10 ASP CA . 30161 1 125 . 1 1 10 10 ASP CB C 13 42.204 0.023 . . . . . A 10 ASP CB . 30161 1 126 . 1 1 10 10 ASP N N 15 127.145 0.010 . . . . . A 10 ASP N . 30161 1 127 . 1 1 11 11 SER H H 1 8.979 0.011 . . . . . A 11 SER H . 30161 1 128 . 1 1 11 11 SER HA H 1 4.613 0.000 . . . . . A 11 SER HA . 30161 1 129 . 1 1 11 11 SER HB2 H 1 3.735 0.000 . . . . . A 11 SER HB2 . 30161 1 130 . 1 1 11 11 SER HB3 H 1 3.902 0.001 . . . . . A 11 SER HB3 . 30161 1 131 . 1 1 11 11 SER C C 13 176.128 0.000 . . . . . A 11 SER C . 30161 1 132 . 1 1 11 11 SER CA C 13 55.871 0.014 . . . . . A 11 SER CA . 30161 1 133 . 1 1 11 11 SER CB C 13 62.567 0.031 . . . . . A 11 SER CB . 30161 1 134 . 1 1 11 11 SER N N 15 115.447 0.020 . . . . . A 11 SER N . 30161 1 135 . 1 1 12 12 ALA H H 1 9.238 0.001 . . . . . A 12 ALA H . 30161 1 136 . 1 1 12 12 ALA HA H 1 3.755 0.001 . . . . . A 12 ALA HA . 30161 1 137 . 1 1 12 12 ALA HB1 H 1 1.410 0.001 . . . . . A 12 ALA HB1 . 30161 1 138 . 1 1 12 12 ALA HB2 H 1 1.410 0.001 . . . . . A 12 ALA HB2 . 30161 1 139 . 1 1 12 12 ALA HB3 H 1 1.410 0.001 . . . . . A 12 ALA HB3 . 30161 1 140 . 1 1 12 12 ALA C C 13 180.974 0.000 . . . . . A 12 ALA C . 30161 1 141 . 1 1 12 12 ALA CA C 13 55.568 0.084 . . . . . A 12 ALA CA . 30161 1 142 . 1 1 12 12 ALA CB C 13 18.260 0.003 . . . . . A 12 ALA CB . 30161 1 143 . 1 1 12 12 ALA N N 15 134.535 0.012 . . . . . A 12 ALA N . 30161 1 144 . 1 1 13 13 THR H H 1 8.016 0.019 . . . . . A 13 THR H . 30161 1 145 . 1 1 13 13 THR HA H 1 3.897 0.002 . . . . . A 13 THR HA . 30161 1 146 . 1 1 13 13 THR HB H 1 3.905 0.001 . . . . . A 13 THR HB . 30161 1 147 . 1 1 13 13 THR HG21 H 1 1.143 0.000 . . . . . A 13 THR HG21 . 30161 1 148 . 1 1 13 13 THR HG22 H 1 1.143 0.000 . . . . . A 13 THR HG22 . 30161 1 149 . 1 1 13 13 THR HG23 H 1 1.143 0.000 . . . . . A 13 THR HG23 . 30161 1 150 . 1 1 13 13 THR C C 13 177.516 0.000 . . . . . A 13 THR C . 30161 1 151 . 1 1 13 13 THR CA C 13 65.463 0.017 . . . . . A 13 THR CA . 30161 1 152 . 1 1 13 13 THR CB C 13 68.292 0.054 . . . . . A 13 THR CB . 30161 1 153 . 1 1 13 13 THR CG2 C 13 22.036 0.004 . . . . . A 13 THR CG2 . 30161 1 154 . 1 1 13 13 THR N N 15 113.816 0.135 . . . . . A 13 THR N . 30161 1 155 . 1 1 14 14 MET H H 1 7.610 0.001 . . . . . A 14 MET H . 30161 1 156 . 1 1 14 14 MET HA H 1 4.391 0.000 . . . . . A 14 MET HA . 30161 1 157 . 1 1 14 14 MET HB2 H 1 1.841 0.000 . . . . . A 14 MET HB2 . 30161 1 158 . 1 1 14 14 MET HB3 H 1 2.037 0.000 . . . . . A 14 MET HB3 . 30161 1 159 . 1 1 14 14 MET C C 13 178.831 0.000 . . . . . A 14 MET C . 30161 1 160 . 1 1 14 14 MET CA C 13 56.144 0.002 . . . . . A 14 MET CA . 30161 1 161 . 1 1 14 14 MET CB C 13 30.997 0.066 . . . . . A 14 MET CB . 30161 1 162 . 1 1 14 14 MET N N 15 122.903 0.043 . . . . . A 14 MET N . 30161 1 163 . 1 1 15 15 ARG H H 1 8.529 0.002 . . . . . A 15 ARG H . 30161 1 164 . 1 1 15 15 ARG HA H 1 3.574 0.000 . . . . . A 15 ARG HA . 30161 1 165 . 1 1 15 15 ARG HB2 H 1 1.504 0.001 . . . . . A 15 ARG HB2 . 30161 1 166 . 1 1 15 15 ARG HB3 H 1 1.959 0.001 . . . . . A 15 ARG HB3 . 30161 1 167 . 1 1 15 15 ARG HG2 H 1 0.915 0.006 . . . . . A 15 ARG HG2 . 30161 1 168 . 1 1 15 15 ARG HD2 H 1 3.570 0.001 . . . . . A 15 ARG HD2 . 30161 1 169 . 1 1 15 15 ARG C C 13 178.001 0.000 . . . . . A 15 ARG C . 30161 1 170 . 1 1 15 15 ARG CA C 13 62.025 0.042 . . . . . A 15 ARG CA . 30161 1 171 . 1 1 15 15 ARG CB C 13 30.249 0.061 . . . . . A 15 ARG CB . 30161 1 172 . 1 1 15 15 ARG CG C 13 30.067 0.055 . . . . . A 15 ARG CG . 30161 1 173 . 1 1 15 15 ARG CD C 13 43.597 0.030 . . . . . A 15 ARG CD . 30161 1 174 . 1 1 15 15 ARG N N 15 118.946 0.013 . . . . . A 15 ARG N . 30161 1 175 . 1 1 16 16 ALA H H 1 7.592 0.006 . . . . . A 16 ALA H . 30161 1 176 . 1 1 16 16 ALA HA H 1 4.117 0.000 . . . . . A 16 ALA HA . 30161 1 177 . 1 1 16 16 ALA HB1 H 1 1.411 0.000 . . . . . A 16 ALA HB1 . 30161 1 178 . 1 1 16 16 ALA HB2 H 1 1.411 0.000 . . . . . A 16 ALA HB2 . 30161 1 179 . 1 1 16 16 ALA HB3 H 1 1.411 0.000 . . . . . A 16 ALA HB3 . 30161 1 180 . 1 1 16 16 ALA C C 13 180.295 0.000 . . . . . A 16 ALA C . 30161 1 181 . 1 1 16 16 ALA CA C 13 54.972 0.047 . . . . . A 16 ALA CA . 30161 1 182 . 1 1 16 16 ALA CB C 13 17.812 0.010 . . . . . A 16 ALA CB . 30161 1 183 . 1 1 16 16 ALA N N 15 119.009 0.042 . . . . . A 16 ALA N . 30161 1 184 . 1 1 17 17 LEU H H 1 7.788 0.003 . . . . . A 17 LEU H . 30161 1 185 . 1 1 17 17 LEU HA H 1 4.189 0.001 . . . . . A 17 LEU HA . 30161 1 186 . 1 1 17 17 LEU HB2 H 1 1.687 0.000 . . . . . A 17 LEU HB2 . 30161 1 187 . 1 1 17 17 LEU HB3 H 1 1.835 0.003 . . . . . A 17 LEU HB3 . 30161 1 188 . 1 1 17 17 LEU HD11 H 1 0.820 0.003 . . . . . A 17 LEU HD11 . 30161 1 189 . 1 1 17 17 LEU HD12 H 1 0.820 0.003 . . . . . A 17 LEU HD12 . 30161 1 190 . 1 1 17 17 LEU HD13 H 1 0.820 0.003 . . . . . A 17 LEU HD13 . 30161 1 191 . 1 1 17 17 LEU HD21 H 1 0.785 0.003 . . . . . A 17 LEU HD21 . 30161 1 192 . 1 1 17 17 LEU HD22 H 1 0.785 0.003 . . . . . A 17 LEU HD22 . 30161 1 193 . 1 1 17 17 LEU HD23 H 1 0.785 0.003 . . . . . A 17 LEU HD23 . 30161 1 194 . 1 1 17 17 LEU C C 13 180.895 0.000 . . . . . A 17 LEU C . 30161 1 195 . 1 1 17 17 LEU CA C 13 58.160 0.063 . . . . . A 17 LEU CA . 30161 1 196 . 1 1 17 17 LEU CB C 13 42.154 0.052 . . . . . A 17 LEU CB . 30161 1 197 . 1 1 17 17 LEU CG C 13 27.409 0.000 . . . . . A 17 LEU CG . 30161 1 198 . 1 1 17 17 LEU CD1 C 13 23.947 0.074 . . . . . A 17 LEU CD1 . 30161 1 199 . 1 1 17 17 LEU CD2 C 13 25.177 0.050 . . . . . A 17 LEU CD2 . 30161 1 200 . 1 1 17 17 LEU N N 15 121.380 0.097 . . . . . A 17 LEU N . 30161 1 201 . 1 1 18 18 LEU H H 1 8.937 0.001 . . . . . A 18 LEU H . 30161 1 202 . 1 1 18 18 LEU HA H 1 3.596 0.001 . . . . . A 18 LEU HA . 30161 1 203 . 1 1 18 18 LEU HB2 H 1 1.764 0.001 . . . . . A 18 LEU HB2 . 30161 1 204 . 1 1 18 18 LEU HB3 H 1 0.814 0.000 . . . . . A 18 LEU HB3 . 30161 1 205 . 1 1 18 18 LEU HG H 1 1.757 0.000 . . . . . A 18 LEU HG . 30161 1 206 . 1 1 18 18 LEU HD11 H 1 0.527 0.000 . . . . . A 18 LEU HD11 . 30161 1 207 . 1 1 18 18 LEU HD12 H 1 0.527 0.000 . . . . . A 18 LEU HD12 . 30161 1 208 . 1 1 18 18 LEU HD13 H 1 0.527 0.000 . . . . . A 18 LEU HD13 . 30161 1 209 . 1 1 18 18 LEU HD21 H 1 0.525 0.000 . . . . . A 18 LEU HD21 . 30161 1 210 . 1 1 18 18 LEU HD22 H 1 0.525 0.000 . . . . . A 18 LEU HD22 . 30161 1 211 . 1 1 18 18 LEU HD23 H 1 0.525 0.000 . . . . . A 18 LEU HD23 . 30161 1 212 . 1 1 18 18 LEU C C 13 178.052 0.000 . . . . . A 18 LEU C . 30161 1 213 . 1 1 18 18 LEU CA C 13 58.307 0.045 . . . . . A 18 LEU CA . 30161 1 214 . 1 1 18 18 LEU CB C 13 41.818 0.005 . . . . . A 18 LEU CB . 30161 1 215 . 1 1 18 18 LEU CG C 13 26.709 0.017 . . . . . A 18 LEU CG . 30161 1 216 . 1 1 18 18 LEU CD1 C 13 22.785 0.094 . . . . . A 18 LEU CD1 . 30161 1 217 . 1 1 18 18 LEU CD2 C 13 25.550 0.027 . . . . . A 18 LEU CD2 . 30161 1 218 . 1 1 18 18 LEU N N 15 121.989 0.008 . . . . . A 18 LEU N . 30161 1 219 . 1 1 19 19 HIS H H 1 8.198 0.001 . . . . . A 19 HIS H . 30161 1 220 . 1 1 19 19 HIS HA H 1 3.782 0.000 . . . . . A 19 HIS HA . 30161 1 221 . 1 1 19 19 HIS HB2 H 1 3.010 0.001 . . . . . A 19 HIS HB2 . 30161 1 222 . 1 1 19 19 HIS HB3 H 1 3.134 0.000 . . . . . A 19 HIS HB3 . 30161 1 223 . 1 1 19 19 HIS HD2 H 1 6.847 0.000 . . . . . A 19 HIS HD2 . 30161 1 224 . 1 1 19 19 HIS HE1 H 1 7.906 0.000 . . . . . A 19 HIS HE1 . 30161 1 225 . 1 1 19 19 HIS C C 13 176.112 0.000 . . . . . A 19 HIS C . 30161 1 226 . 1 1 19 19 HIS CA C 13 60.830 0.050 . . . . . A 19 HIS CA . 30161 1 227 . 1 1 19 19 HIS CB C 13 30.224 0.022 . . . . . A 19 HIS CB . 30161 1 228 . 1 1 19 19 HIS CD2 C 13 118.850 0.000 . . . . . A 19 HIS CD2 . 30161 1 229 . 1 1 19 19 HIS CE1 C 13 138.259 0.000 . . . . . A 19 HIS CE1 . 30161 1 230 . 1 1 19 19 HIS N N 15 116.288 0.026 . . . . . A 19 HIS N . 30161 1 231 . 1 1 20 20 ALA H H 1 8.275 0.001 . . . . . A 20 ALA H . 30161 1 232 . 1 1 20 20 ALA HA H 1 3.948 0.001 . . . . . A 20 ALA HA . 30161 1 233 . 1 1 20 20 ALA HB1 H 1 1.434 0.000 . . . . . A 20 ALA HB1 . 30161 1 234 . 1 1 20 20 ALA HB2 H 1 1.434 0.000 . . . . . A 20 ALA HB2 . 30161 1 235 . 1 1 20 20 ALA HB3 H 1 1.434 0.000 . . . . . A 20 ALA HB3 . 30161 1 236 . 1 1 20 20 ALA C C 13 181.022 0.000 . . . . . A 20 ALA C . 30161 1 237 . 1 1 20 20 ALA CA C 13 55.399 0.038 . . . . . A 20 ALA CA . 30161 1 238 . 1 1 20 20 ALA CB C 13 18.338 0.007 . . . . . A 20 ALA CB . 30161 1 239 . 1 1 20 20 ALA N N 15 118.876 0.009 . . . . . A 20 ALA N . 30161 1 240 . 1 1 21 21 THR H H 1 8.112 0.001 . . . . . A 21 THR H . 30161 1 241 . 1 1 21 21 THR HA H 1 3.687 0.004 . . . . . A 21 THR HA . 30161 1 242 . 1 1 21 21 THR HB H 1 3.902 0.006 . . . . . A 21 THR HB . 30161 1 243 . 1 1 21 21 THR HG21 H 1 1.074 0.001 . . . . . A 21 THR HG21 . 30161 1 244 . 1 1 21 21 THR HG22 H 1 1.074 0.001 . . . . . A 21 THR HG22 . 30161 1 245 . 1 1 21 21 THR HG23 H 1 1.074 0.001 . . . . . A 21 THR HG23 . 30161 1 246 . 1 1 21 21 THR C C 13 176.759 0.000 . . . . . A 21 THR C . 30161 1 247 . 1 1 21 21 THR CA C 13 66.560 0.049 . . . . . A 21 THR CA . 30161 1 248 . 1 1 21 21 THR CB C 13 69.350 0.043 . . . . . A 21 THR CB . 30161 1 249 . 1 1 21 21 THR CG2 C 13 22.184 0.016 . . . . . A 21 THR CG2 . 30161 1 250 . 1 1 21 21 THR N N 15 112.023 0.007 . . . . . A 21 THR N . 30161 1 251 . 1 1 22 22 LEU H H 1 7.709 0.004 . . . . . A 22 LEU H . 30161 1 252 . 1 1 22 22 LEU HA H 1 4.153 0.003 . . . . . A 22 LEU HA . 30161 1 253 . 1 1 22 22 LEU HB2 H 1 1.040 0.001 . . . . . A 22 LEU HB2 . 30161 1 254 . 1 1 22 22 LEU HB3 H 1 1.881 0.000 . . . . . A 22 LEU HB3 . 30161 1 255 . 1 1 22 22 LEU HG H 1 1.546 0.001 . . . . . A 22 LEU HG . 30161 1 256 . 1 1 22 22 LEU HD11 H 1 0.476 0.001 . . . . . A 22 LEU HD11 . 30161 1 257 . 1 1 22 22 LEU HD12 H 1 0.476 0.001 . . . . . A 22 LEU HD12 . 30161 1 258 . 1 1 22 22 LEU HD13 H 1 0.476 0.001 . . . . . A 22 LEU HD13 . 30161 1 259 . 1 1 22 22 LEU HD21 H 1 0.559 0.001 . . . . . A 22 LEU HD21 . 30161 1 260 . 1 1 22 22 LEU HD22 H 1 0.559 0.001 . . . . . A 22 LEU HD22 . 30161 1 261 . 1 1 22 22 LEU HD23 H 1 0.559 0.001 . . . . . A 22 LEU HD23 . 30161 1 262 . 1 1 22 22 LEU C C 13 178.476 0.000 . . . . . A 22 LEU C . 30161 1 263 . 1 1 22 22 LEU CA C 13 57.184 0.057 . . . . . A 22 LEU CA . 30161 1 264 . 1 1 22 22 LEU CB C 13 41.180 0.058 . . . . . A 22 LEU CB . 30161 1 265 . 1 1 22 22 LEU CG C 13 27.515 0.007 . . . . . A 22 LEU CG . 30161 1 266 . 1 1 22 22 LEU CD1 C 13 21.791 0.028 . . . . . A 22 LEU CD1 . 30161 1 267 . 1 1 22 22 LEU CD2 C 13 24.783 0.042 . . . . . A 22 LEU CD2 . 30161 1 268 . 1 1 22 22 LEU N N 15 119.261 0.160 . . . . . A 22 LEU N . 30161 1 269 . 1 1 23 23 ALA H H 1 8.751 0.005 . . . . . A 23 ALA H . 30161 1 270 . 1 1 23 23 ALA HA H 1 4.635 0.000 . . . . . A 23 ALA HA . 30161 1 271 . 1 1 23 23 ALA HB1 H 1 1.210 0.001 . . . . . A 23 ALA HB1 . 30161 1 272 . 1 1 23 23 ALA HB2 H 1 1.210 0.001 . . . . . A 23 ALA HB2 . 30161 1 273 . 1 1 23 23 ALA HB3 H 1 1.210 0.001 . . . . . A 23 ALA HB3 . 30161 1 274 . 1 1 23 23 ALA C C 13 183.207 0.000 . . . . . A 23 ALA C . 30161 1 275 . 1 1 23 23 ALA CA C 13 54.955 0.045 . . . . . A 23 ALA CA . 30161 1 276 . 1 1 23 23 ALA CB C 13 17.425 0.005 . . . . . A 23 ALA CB . 30161 1 277 . 1 1 23 23 ALA N N 15 124.021 0.006 . . . . . A 23 ALA N . 30161 1 278 . 1 1 24 24 GLN H H 1 7.573 0.001 . . . . . A 24 GLN H . 30161 1 279 . 1 1 24 24 GLN HA H 1 3.977 0.001 . . . . . A 24 GLN HA . 30161 1 280 . 1 1 24 24 GLN HB2 H 1 2.099 0.008 . . . . . A 24 GLN HB2 . 30161 1 281 . 1 1 24 24 GLN HB3 H 1 2.147 0.000 . . . . . A 24 GLN HB3 . 30161 1 282 . 1 1 24 24 GLN HG2 H 1 2.370 0.001 . . . . . A 24 GLN HG2 . 30161 1 283 . 1 1 24 24 GLN HG3 H 1 2.455 0.002 . . . . . A 24 GLN HG3 . 30161 1 284 . 1 1 24 24 GLN C C 13 176.954 0.000 . . . . . A 24 GLN C . 30161 1 285 . 1 1 24 24 GLN CA C 13 58.319 0.017 . . . . . A 24 GLN CA . 30161 1 286 . 1 1 24 24 GLN CB C 13 27.843 0.017 . . . . . A 24 GLN CB . 30161 1 287 . 1 1 24 24 GLN CG C 13 34.143 0.019 . . . . . A 24 GLN CG . 30161 1 288 . 1 1 24 24 GLN N N 15 118.236 0.022 . . . . . A 24 GLN N . 30161 1 289 . 1 1 25 25 ALA H H 1 6.934 0.002 . . . . . A 25 ALA H . 30161 1 290 . 1 1 25 25 ALA HA H 1 4.303 0.002 . . . . . A 25 ALA HA . 30161 1 291 . 1 1 25 25 ALA HB1 H 1 1.561 0.002 . . . . . A 25 ALA HB1 . 30161 1 292 . 1 1 25 25 ALA HB2 H 1 1.561 0.002 . . . . . A 25 ALA HB2 . 30161 1 293 . 1 1 25 25 ALA HB3 H 1 1.561 0.002 . . . . . A 25 ALA HB3 . 30161 1 294 . 1 1 25 25 ALA C C 13 176.474 0.000 . . . . . A 25 ALA C . 30161 1 295 . 1 1 25 25 ALA CA C 13 51.832 0.010 . . . . . A 25 ALA CA . 30161 1 296 . 1 1 25 25 ALA CB C 13 19.276 0.010 . . . . . A 25 ALA CB . 30161 1 297 . 1 1 25 25 ALA N N 15 118.838 0.002 . . . . . A 25 ALA N . 30161 1 298 . 1 1 26 26 GLY H H 1 7.468 0.001 . . . . . A 26 GLY H . 30161 1 299 . 1 1 26 26 GLY HA2 H 1 3.958 0.001 . . . . . A 26 GLY HA2 . 30161 1 300 . 1 1 26 26 GLY HA3 H 1 3.488 0.000 . . . . . A 26 GLY HA3 . 30161 1 301 . 1 1 26 26 GLY C C 13 174.202 0.000 . . . . . A 26 GLY C . 30161 1 302 . 1 1 26 26 GLY CA C 13 44.949 0.013 . . . . . A 26 GLY CA . 30161 1 303 . 1 1 26 26 GLY N N 15 104.798 0.003 . . . . . A 26 GLY N . 30161 1 304 . 1 1 27 27 TYR H H 1 7.472 0.001 . . . . . A 27 TYR H . 30161 1 305 . 1 1 27 27 TYR HA H 1 4.488 0.001 . . . . . A 27 TYR HA . 30161 1 306 . 1 1 27 27 TYR HB2 H 1 2.627 0.000 . . . . . A 27 TYR HB2 . 30161 1 307 . 1 1 27 27 TYR HB3 H 1 2.119 0.001 . . . . . A 27 TYR HB3 . 30161 1 308 . 1 1 27 27 TYR HD1 H 1 7.006 0.000 . . . . . A 27 TYR HD1 . 30161 1 309 . 1 1 27 27 TYR HD2 H 1 7.006 0.000 . . . . . A 27 TYR HD2 . 30161 1 310 . 1 1 27 27 TYR HE1 H 1 6.665 0.000 . . . . . A 27 TYR HE1 . 30161 1 311 . 1 1 27 27 TYR HE2 H 1 6.665 0.000 . . . . . A 27 TYR HE2 . 30161 1 312 . 1 1 27 27 TYR C C 13 174.836 0.000 . . . . . A 27 TYR C . 30161 1 313 . 1 1 27 27 TYR CA C 13 57.892 0.062 . . . . . A 27 TYR CA . 30161 1 314 . 1 1 27 27 TYR CB C 13 39.083 0.007 . . . . . A 27 TYR CB . 30161 1 315 . 1 1 27 27 TYR CD1 C 13 133.207 0.000 . . . . . A 27 TYR CD1 . 30161 1 316 . 1 1 27 27 TYR CE2 C 13 118.189 0.000 . . . . . A 27 TYR CE2 . 30161 1 317 . 1 1 27 27 TYR N N 15 119.274 0.006 . . . . . A 27 TYR N . 30161 1 318 . 1 1 28 28 GLU H H 1 8.496 0.003 . . . . . A 28 GLU H . 30161 1 319 . 1 1 28 28 GLU HA H 1 4.534 0.000 . . . . . A 28 GLU HA . 30161 1 320 . 1 1 28 28 GLU HB2 H 1 1.866 0.003 . . . . . A 28 GLU HB2 . 30161 1 321 . 1 1 28 28 GLU HB3 H 1 1.962 0.002 . . . . . A 28 GLU HB3 . 30161 1 322 . 1 1 28 28 GLU HG2 H 1 2.145 0.000 . . . . . A 28 GLU HG2 . 30161 1 323 . 1 1 28 28 GLU C C 13 176.085 0.000 . . . . . A 28 GLU C . 30161 1 324 . 1 1 28 28 GLU CA C 13 55.306 0.037 . . . . . A 28 GLU CA . 30161 1 325 . 1 1 28 28 GLU CB C 13 29.844 0.009 . . . . . A 28 GLU CB . 30161 1 326 . 1 1 28 28 GLU CG C 13 35.562 0.002 . . . . . A 28 GLU CG . 30161 1 327 . 1 1 28 28 GLU N N 15 122.362 0.036 . . . . . A 28 GLU N . 30161 1 328 . 1 1 29 29 VAL H H 1 8.852 0.001 . . . . . A 29 VAL H . 30161 1 329 . 1 1 29 29 VAL HA H 1 4.872 0.003 . . . . . A 29 VAL HA . 30161 1 330 . 1 1 29 29 VAL HB H 1 1.724 0.000 . . . . . A 29 VAL HB . 30161 1 331 . 1 1 29 29 VAL HG11 H 1 0.608 0.001 . . . . . A 29 VAL HG11 . 30161 1 332 . 1 1 29 29 VAL HG12 H 1 0.608 0.001 . . . . . A 29 VAL HG12 . 30161 1 333 . 1 1 29 29 VAL HG13 H 1 0.608 0.001 . . . . . A 29 VAL HG13 . 30161 1 334 . 1 1 29 29 VAL HG21 H 1 0.647 0.001 . . . . . A 29 VAL HG21 . 30161 1 335 . 1 1 29 29 VAL HG22 H 1 0.647 0.001 . . . . . A 29 VAL HG22 . 30161 1 336 . 1 1 29 29 VAL HG23 H 1 0.647 0.001 . . . . . A 29 VAL HG23 . 30161 1 337 . 1 1 29 29 VAL C C 13 175.044 0.000 . . . . . A 29 VAL C . 30161 1 338 . 1 1 29 29 VAL CA C 13 60.871 0.055 . . . . . A 29 VAL CA . 30161 1 339 . 1 1 29 29 VAL CB C 13 33.707 0.028 . . . . . A 29 VAL CB . 30161 1 340 . 1 1 29 29 VAL CG1 C 13 20.793 0.008 . . . . . A 29 VAL CG1 . 30161 1 341 . 1 1 29 29 VAL CG2 C 13 22.304 0.004 . . . . . A 29 VAL CG2 . 30161 1 342 . 1 1 29 29 VAL N N 15 128.827 0.006 . . . . . A 29 VAL N . 30161 1 343 . 1 1 30 30 THR H H 1 9.199 0.000 . . . . . A 30 THR H . 30161 1 344 . 1 1 30 30 THR HA H 1 4.475 0.007 . . . . . A 30 THR HA . 30161 1 345 . 1 1 30 30 THR HB H 1 3.700 0.001 . . . . . A 30 THR HB . 30161 1 346 . 1 1 30 30 THR HG21 H 1 1.145 0.000 . . . . . A 30 THR HG21 . 30161 1 347 . 1 1 30 30 THR HG22 H 1 1.145 0.000 . . . . . A 30 THR HG22 . 30161 1 348 . 1 1 30 30 THR HG23 H 1 1.145 0.000 . . . . . A 30 THR HG23 . 30161 1 349 . 1 1 30 30 THR C C 13 172.949 0.000 . . . . . A 30 THR C . 30161 1 350 . 1 1 30 30 THR CA C 13 61.924 0.033 . . . . . A 30 THR CA . 30161 1 351 . 1 1 30 30 THR CB C 13 70.997 0.058 . . . . . A 30 THR CB . 30161 1 352 . 1 1 30 30 THR CG2 C 13 21.778 0.011 . . . . . A 30 THR CG2 . 30161 1 353 . 1 1 30 30 THR N N 15 126.826 0.011 . . . . . A 30 THR N . 30161 1 354 . 1 1 31 31 VAL H H 1 8.413 0.002 . . . . . A 31 VAL H . 30161 1 355 . 1 1 31 31 VAL HA H 1 5.648 0.002 . . . . . A 31 VAL HA . 30161 1 356 . 1 1 31 31 VAL HB H 1 1.784 0.002 . . . . . A 31 VAL HB . 30161 1 357 . 1 1 31 31 VAL HG11 H 1 0.766 0.000 . . . . . A 31 VAL HG11 . 30161 1 358 . 1 1 31 31 VAL HG12 H 1 0.766 0.000 . . . . . A 31 VAL HG12 . 30161 1 359 . 1 1 31 31 VAL HG13 H 1 0.766 0.000 . . . . . A 31 VAL HG13 . 30161 1 360 . 1 1 31 31 VAL HG21 H 1 0.835 0.000 . . . . . A 31 VAL HG21 . 30161 1 361 . 1 1 31 31 VAL HG22 H 1 0.835 0.000 . . . . . A 31 VAL HG22 . 30161 1 362 . 1 1 31 31 VAL HG23 H 1 0.835 0.000 . . . . . A 31 VAL HG23 . 30161 1 363 . 1 1 31 31 VAL C C 13 174.652 0.000 . . . . . A 31 VAL C . 30161 1 364 . 1 1 31 31 VAL CA C 13 58.206 0.039 . . . . . A 31 VAL CA . 30161 1 365 . 1 1 31 31 VAL CB C 13 34.347 0.054 . . . . . A 31 VAL CB . 30161 1 366 . 1 1 31 31 VAL CG1 C 13 18.957 0.000 . . . . . A 31 VAL CG1 . 30161 1 367 . 1 1 31 31 VAL CG2 C 13 21.592 0.000 . . . . . A 31 VAL CG2 . 30161 1 368 . 1 1 31 31 VAL N N 15 119.058 0.011 . . . . . A 31 VAL N . 30161 1 369 . 1 1 32 32 ALA H H 1 8.480 0.002 . . . . . A 32 ALA H . 30161 1 370 . 1 1 32 32 ALA HA H 1 4.490 0.002 . . . . . A 32 ALA HA . 30161 1 371 . 1 1 32 32 ALA HB1 H 1 1.140 0.001 . . . . . A 32 ALA HB1 . 30161 1 372 . 1 1 32 32 ALA HB2 H 1 1.140 0.001 . . . . . A 32 ALA HB2 . 30161 1 373 . 1 1 32 32 ALA HB3 H 1 1.140 0.001 . . . . . A 32 ALA HB3 . 30161 1 374 . 1 1 32 32 ALA C C 13 175.789 0.000 . . . . . A 32 ALA C . 30161 1 375 . 1 1 32 32 ALA CA C 13 50.414 0.095 . . . . . A 32 ALA CA . 30161 1 376 . 1 1 32 32 ALA CB C 13 22.355 0.039 . . . . . A 32 ALA CB . 30161 1 377 . 1 1 32 32 ALA N N 15 122.449 0.023 . . . . . A 32 ALA N . 30161 1 378 . 1 1 33 33 ALA H H 1 8.629 0.000 . . . . . A 33 ALA H . 30161 1 379 . 1 1 33 33 ALA HA H 1 4.462 0.003 . . . . . A 33 ALA HA . 30161 1 380 . 1 1 33 33 ALA HB1 H 1 1.248 0.000 . . . . . A 33 ALA HB1 . 30161 1 381 . 1 1 33 33 ALA HB2 H 1 1.248 0.000 . . . . . A 33 ALA HB2 . 30161 1 382 . 1 1 33 33 ALA HB3 H 1 1.248 0.000 . . . . . A 33 ALA HB3 . 30161 1 383 . 1 1 33 33 ALA C C 13 175.863 0.000 . . . . . A 33 ALA C . 30161 1 384 . 1 1 33 33 ALA CA C 13 52.184 0.056 . . . . . A 33 ALA CA . 30161 1 385 . 1 1 33 33 ALA CB C 13 20.331 0.013 . . . . . A 33 ALA CB . 30161 1 386 . 1 1 33 33 ALA N N 15 120.201 0.008 . . . . . A 33 ALA N . 30161 1 387 . 1 1 34 34 ASP H H 1 7.077 0.001 . . . . . A 34 ASP H . 30161 1 388 . 1 1 34 34 ASP HA H 1 4.607 0.001 . . . . . A 34 ASP HA . 30161 1 389 . 1 1 34 34 ASP HB2 H 1 2.894 0.002 . . . . . A 34 ASP HB2 . 30161 1 390 . 1 1 34 34 ASP HB3 H 1 2.703 0.000 . . . . . A 34 ASP HB3 . 30161 1 391 . 1 1 34 34 ASP C C 13 175.909 0.000 . . . . . A 34 ASP C . 30161 1 392 . 1 1 34 34 ASP CA C 13 52.896 0.031 . . . . . A 34 ASP CA . 30161 1 393 . 1 1 34 34 ASP CB C 13 43.187 0.023 . . . . . A 34 ASP CB . 30161 1 394 . 1 1 34 34 ASP N N 15 109.501 0.006 . . . . . A 34 ASP N . 30161 1 395 . 1 1 35 35 GLY H H 1 8.611 0.001 . . . . . A 35 GLY H . 30161 1 396 . 1 1 35 35 GLY HA2 H 1 3.848 0.002 . . . . . A 35 GLY HA2 . 30161 1 397 . 1 1 35 35 GLY HA3 H 1 3.627 0.002 . . . . . A 35 GLY HA3 . 30161 1 398 . 1 1 35 35 GLY C C 13 174.923 0.000 . . . . . A 35 GLY C . 30161 1 399 . 1 1 35 35 GLY CA C 13 47.363 0.018 . . . . . A 35 GLY CA . 30161 1 400 . 1 1 35 35 GLY N N 15 106.973 0.006 . . . . . A 35 GLY N . 30161 1 401 . 1 1 36 36 GLU H H 1 8.475 0.003 . . . . . A 36 GLU H . 30161 1 402 . 1 1 36 36 GLU HA H 1 4.028 0.003 . . . . . A 36 GLU HA . 30161 1 403 . 1 1 36 36 GLU HB2 H 1 1.968 0.000 . . . . . A 36 GLU HB2 . 30161 1 404 . 1 1 36 36 GLU HG2 H 1 2.145 0.001 . . . . . A 36 GLU HG2 . 30161 1 405 . 1 1 36 36 GLU C C 13 178.288 0.000 . . . . . A 36 GLU C . 30161 1 406 . 1 1 36 36 GLU CA C 13 59.682 0.007 . . . . . A 36 GLU CA . 30161 1 407 . 1 1 36 36 GLU CB C 13 28.946 0.054 . . . . . A 36 GLU CB . 30161 1 408 . 1 1 36 36 GLU CG C 13 36.750 0.002 . . . . . A 36 GLU CG . 30161 1 409 . 1 1 36 36 GLU N N 15 124.265 0.002 . . . . . A 36 GLU N . 30161 1 410 . 1 1 37 37 ALA H H 1 8.847 0.002 . . . . . A 37 ALA H . 30161 1 411 . 1 1 37 37 ALA HA H 1 4.130 0.000 . . . . . A 37 ALA HA . 30161 1 412 . 1 1 37 37 ALA HB1 H 1 1.377 0.001 . . . . . A 37 ALA HB1 . 30161 1 413 . 1 1 37 37 ALA HB2 H 1 1.377 0.001 . . . . . A 37 ALA HB2 . 30161 1 414 . 1 1 37 37 ALA HB3 H 1 1.377 0.001 . . . . . A 37 ALA HB3 . 30161 1 415 . 1 1 37 37 ALA C C 13 181.592 0.000 . . . . . A 37 ALA C . 30161 1 416 . 1 1 37 37 ALA CA C 13 54.579 0.031 . . . . . A 37 ALA CA . 30161 1 417 . 1 1 37 37 ALA CB C 13 18.478 0.013 . . . . . A 37 ALA CB . 30161 1 418 . 1 1 37 37 ALA N N 15 123.188 0.005 . . . . . A 37 ALA N . 30161 1 419 . 1 1 38 38 GLY H H 1 8.300 0.001 . . . . . A 38 GLY H . 30161 1 420 . 1 1 38 38 GLY HA2 H 1 3.341 0.001 . . . . . A 38 GLY HA2 . 30161 1 421 . 1 1 38 38 GLY HA3 H 1 3.416 0.000 . . . . . A 38 GLY HA3 . 30161 1 422 . 1 1 38 38 GLY C C 13 173.445 0.000 . . . . . A 38 GLY C . 30161 1 423 . 1 1 38 38 GLY CA C 13 47.288 0.012 . . . . . A 38 GLY CA . 30161 1 424 . 1 1 38 38 GLY N N 15 102.697 0.005 . . . . . A 38 GLY N . 30161 1 425 . 1 1 39 39 PHE H H 1 8.113 0.001 . . . . . A 39 PHE H . 30161 1 426 . 1 1 39 39 PHE HA H 1 3.668 0.001 . . . . . A 39 PHE HA . 30161 1 427 . 1 1 39 39 PHE HB2 H 1 3.058 0.000 . . . . . A 39 PHE HB2 . 30161 1 428 . 1 1 39 39 PHE HB3 H 1 2.891 0.003 . . . . . A 39 PHE HB3 . 30161 1 429 . 1 1 39 39 PHE HD1 H 1 6.965 0.000 . . . . . A 39 PHE HD1 . 30161 1 430 . 1 1 39 39 PHE HD2 H 1 6.965 0.000 . . . . . A 39 PHE HD2 . 30161 1 431 . 1 1 39 39 PHE HZ H 1 6.891 0.000 . . . . . A 39 PHE HZ . 30161 1 432 . 1 1 39 39 PHE C C 13 175.856 0.000 . . . . . A 39 PHE C . 30161 1 433 . 1 1 39 39 PHE CA C 13 62.542 0.059 . . . . . A 39 PHE CA . 30161 1 434 . 1 1 39 39 PHE CB C 13 38.653 0.014 . . . . . A 39 PHE CB . 30161 1 435 . 1 1 39 39 PHE CD1 C 13 131.471 0.000 . . . . . A 39 PHE CD1 . 30161 1 436 . 1 1 39 39 PHE CZ C 13 128.045 0.000 . . . . . A 39 PHE CZ . 30161 1 437 . 1 1 39 39 PHE N N 15 121.943 0.010 . . . . . A 39 PHE N . 30161 1 438 . 1 1 40 40 ASP H H 1 7.826 0.001 . . . . . A 40 ASP H . 30161 1 439 . 1 1 40 40 ASP HA H 1 4.157 0.000 . . . . . A 40 ASP HA . 30161 1 440 . 1 1 40 40 ASP HB2 H 1 2.620 0.004 . . . . . A 40 ASP HB2 . 30161 1 441 . 1 1 40 40 ASP C C 13 179.889 0.000 . . . . . A 40 ASP C . 30161 1 442 . 1 1 40 40 ASP CA C 13 57.419 0.028 . . . . . A 40 ASP CA . 30161 1 443 . 1 1 40 40 ASP CB C 13 40.227 0.028 . . . . . A 40 ASP CB . 30161 1 444 . 1 1 40 40 ASP N N 15 117.651 0.009 . . . . . A 40 ASP N . 30161 1 445 . 1 1 41 41 LEU H H 1 7.746 0.001 . . . . . A 41 LEU H . 30161 1 446 . 1 1 41 41 LEU HA H 1 4.041 0.000 . . . . . A 41 LEU HA . 30161 1 447 . 1 1 41 41 LEU HB2 H 1 1.896 0.000 . . . . . A 41 LEU HB2 . 30161 1 448 . 1 1 41 41 LEU HG H 1 1.770 0.000 . . . . . A 41 LEU HG . 30161 1 449 . 1 1 41 41 LEU HD11 H 1 0.843 0.003 . . . . . A 41 LEU HD11 . 30161 1 450 . 1 1 41 41 LEU HD12 H 1 0.843 0.003 . . . . . A 41 LEU HD12 . 30161 1 451 . 1 1 41 41 LEU HD13 H 1 0.843 0.003 . . . . . A 41 LEU HD13 . 30161 1 452 . 1 1 41 41 LEU HD21 H 1 0.647 0.003 . . . . . A 41 LEU HD21 . 30161 1 453 . 1 1 41 41 LEU HD22 H 1 0.647 0.003 . . . . . A 41 LEU HD22 . 30161 1 454 . 1 1 41 41 LEU HD23 H 1 0.647 0.003 . . . . . A 41 LEU HD23 . 30161 1 455 . 1 1 41 41 LEU C C 13 179.878 0.000 . . . . . A 41 LEU C . 30161 1 456 . 1 1 41 41 LEU CA C 13 57.967 0.023 . . . . . A 41 LEU CA . 30161 1 457 . 1 1 41 41 LEU CB C 13 41.454 0.016 . . . . . A 41 LEU CB . 30161 1 458 . 1 1 41 41 LEU CG C 13 26.298 0.064 . . . . . A 41 LEU CG . 30161 1 459 . 1 1 41 41 LEU CD1 C 13 22.659 0.044 . . . . . A 41 LEU CD1 . 30161 1 460 . 1 1 41 41 LEU CD2 C 13 24.861 0.000 . . . . . A 41 LEU CD2 . 30161 1 461 . 1 1 41 41 LEU N N 15 119.431 0.008 . . . . . A 41 LEU N . 30161 1 462 . 1 1 42 42 ALA H H 1 8.070 0.002 . . . . . A 42 ALA H . 30161 1 463 . 1 1 42 42 ALA HA H 1 4.451 0.002 . . . . . A 42 ALA HA . 30161 1 464 . 1 1 42 42 ALA HB1 H 1 0.924 0.000 . . . . . A 42 ALA HB1 . 30161 1 465 . 1 1 42 42 ALA HB2 H 1 0.924 0.000 . . . . . A 42 ALA HB2 . 30161 1 466 . 1 1 42 42 ALA HB3 H 1 0.924 0.000 . . . . . A 42 ALA HB3 . 30161 1 467 . 1 1 42 42 ALA C C 13 177.942 0.000 . . . . . A 42 ALA C . 30161 1 468 . 1 1 42 42 ALA CA C 13 53.944 0.004 . . . . . A 42 ALA CA . 30161 1 469 . 1 1 42 42 ALA CB C 13 17.898 0.018 . . . . . A 42 ALA CB . 30161 1 470 . 1 1 42 42 ALA N N 15 123.524 0.007 . . . . . A 42 ALA N . 30161 1 471 . 1 1 43 43 ALA H H 1 8.069 0.001 . . . . . A 43 ALA H . 30161 1 472 . 1 1 43 43 ALA HA H 1 3.842 0.000 . . . . . A 43 ALA HA . 30161 1 473 . 1 1 43 43 ALA HB1 H 1 1.022 0.001 . . . . . A 43 ALA HB1 . 30161 1 474 . 1 1 43 43 ALA HB2 H 1 1.022 0.001 . . . . . A 43 ALA HB2 . 30161 1 475 . 1 1 43 43 ALA HB3 H 1 1.022 0.001 . . . . . A 43 ALA HB3 . 30161 1 476 . 1 1 43 43 ALA C C 13 178.964 0.000 . . . . . A 43 ALA C . 30161 1 477 . 1 1 43 43 ALA CA C 13 53.345 0.057 . . . . . A 43 ALA CA . 30161 1 478 . 1 1 43 43 ALA CB C 13 17.422 0.031 . . . . . A 43 ALA CB . 30161 1 479 . 1 1 43 43 ALA N N 15 116.096 0.010 . . . . . A 43 ALA N . 30161 1 480 . 1 1 44 44 THR H H 1 7.378 0.002 . . . . . A 44 THR H . 30161 1 481 . 1 1 44 44 THR HA H 1 4.210 0.006 . . . . . A 44 THR HA . 30161 1 482 . 1 1 44 44 THR HB H 1 4.231 0.001 . . . . . A 44 THR HB . 30161 1 483 . 1 1 44 44 THR HG21 H 1 1.150 0.000 . . . . . A 44 THR HG21 . 30161 1 484 . 1 1 44 44 THR HG22 H 1 1.150 0.000 . . . . . A 44 THR HG22 . 30161 1 485 . 1 1 44 44 THR HG23 H 1 1.150 0.000 . . . . . A 44 THR HG23 . 30161 1 486 . 1 1 44 44 THR C C 13 174.292 0.000 . . . . . A 44 THR C . 30161 1 487 . 1 1 44 44 THR CA C 13 63.091 0.036 . . . . . A 44 THR CA . 30161 1 488 . 1 1 44 44 THR CB C 13 70.299 0.025 . . . . . A 44 THR CB . 30161 1 489 . 1 1 44 44 THR CG2 C 13 21.521 0.053 . . . . . A 44 THR CG2 . 30161 1 490 . 1 1 44 44 THR N N 15 109.564 0.002 . . . . . A 44 THR N . 30161 1 491 . 1 1 45 45 THR H H 1 7.625 0.001 . . . . . A 45 THR H . 30161 1 492 . 1 1 45 45 THR HA H 1 4.049 0.003 . . . . . A 45 THR HA . 30161 1 493 . 1 1 45 45 THR HB H 1 3.443 0.003 . . . . . A 45 THR HB . 30161 1 494 . 1 1 45 45 THR HG21 H 1 0.332 0.002 . . . . . A 45 THR HG21 . 30161 1 495 . 1 1 45 45 THR HG22 H 1 0.332 0.002 . . . . . A 45 THR HG22 . 30161 1 496 . 1 1 45 45 THR HG23 H 1 0.332 0.002 . . . . . A 45 THR HG23 . 30161 1 497 . 1 1 45 45 THR C C 13 170.349 0.000 . . . . . A 45 THR C . 30161 1 498 . 1 1 45 45 THR CA C 13 61.549 0.015 . . . . . A 45 THR CA . 30161 1 499 . 1 1 45 45 THR CB C 13 71.255 0.020 . . . . . A 45 THR CB . 30161 1 500 . 1 1 45 45 THR CG2 C 13 20.158 0.050 . . . . . A 45 THR CG2 . 30161 1 501 . 1 1 45 45 THR N N 15 120.001 0.006 . . . . . A 45 THR N . 30161 1 502 . 1 1 46 46 ALA H H 1 7.920 0.000 . . . . . A 46 ALA H . 30161 1 503 . 1 1 46 46 ALA HA H 1 4.146 0.004 . . . . . A 46 ALA HA . 30161 1 504 . 1 1 46 46 ALA HB1 H 1 0.982 0.000 . . . . . A 46 ALA HB1 . 30161 1 505 . 1 1 46 46 ALA HB2 H 1 0.982 0.000 . . . . . A 46 ALA HB2 . 30161 1 506 . 1 1 46 46 ALA HB3 H 1 0.982 0.000 . . . . . A 46 ALA HB3 . 30161 1 507 . 1 1 46 46 ALA C C 13 176.354 0.000 . . . . . A 46 ALA C . 30161 1 508 . 1 1 46 46 ALA CA C 13 50.875 0.014 . . . . . A 46 ALA CA . 30161 1 509 . 1 1 46 46 ALA CB C 13 17.284 0.011 . . . . . A 46 ALA CB . 30161 1 510 . 1 1 46 46 ALA N N 15 126.595 0.007 . . . . . A 46 ALA N . 30161 1 511 . 1 1 47 47 TYR H H 1 7.918 0.002 . . . . . A 47 TYR H . 30161 1 512 . 1 1 47 47 TYR HA H 1 4.258 0.001 . . . . . A 47 TYR HA . 30161 1 513 . 1 1 47 47 TYR HB2 H 1 2.528 0.000 . . . . . A 47 TYR HB2 . 30161 1 514 . 1 1 47 47 TYR HB3 H 1 2.755 0.001 . . . . . A 47 TYR HB3 . 30161 1 515 . 1 1 47 47 TYR HD1 H 1 6.981 0.000 . . . . . A 47 TYR HD1 . 30161 1 516 . 1 1 47 47 TYR HD2 H 1 6.981 0.000 . . . . . A 47 TYR HD2 . 30161 1 517 . 1 1 47 47 TYR HE1 H 1 6.613 0.000 . . . . . A 47 TYR HE1 . 30161 1 518 . 1 1 47 47 TYR HE2 H 1 6.613 0.000 . . . . . A 47 TYR HE2 . 30161 1 519 . 1 1 47 47 TYR C C 13 175.508 0.000 . . . . . A 47 TYR C . 30161 1 520 . 1 1 47 47 TYR CA C 13 59.022 0.053 . . . . . A 47 TYR CA . 30161 1 521 . 1 1 47 47 TYR CB C 13 40.091 0.029 . . . . . A 47 TYR CB . 30161 1 522 . 1 1 47 47 TYR CD1 C 13 133.558 0.000 . . . . . A 47 TYR CD1 . 30161 1 523 . 1 1 47 47 TYR CE1 C 13 118.180 0.000 . . . . . A 47 TYR CE1 . 30161 1 524 . 1 1 47 47 TYR N N 15 125.095 0.007 . . . . . A 47 TYR N . 30161 1 525 . 1 1 48 48 ASP H H 1 8.174 0.001 . . . . . A 48 ASP H . 30161 1 526 . 1 1 48 48 ASP HA H 1 4.366 0.004 . . . . . A 48 ASP HA . 30161 1 527 . 1 1 48 48 ASP HB2 H 1 2.806 0.000 . . . . . A 48 ASP HB2 . 30161 1 528 . 1 1 48 48 ASP HB3 H 1 3.370 0.002 . . . . . A 48 ASP HB3 . 30161 1 529 . 1 1 48 48 ASP C C 13 174.946 0.000 . . . . . A 48 ASP C . 30161 1 530 . 1 1 48 48 ASP CA C 13 56.377 0.019 . . . . . A 48 ASP CA . 30161 1 531 . 1 1 48 48 ASP CB C 13 42.630 0.032 . . . . . A 48 ASP CB . 30161 1 532 . 1 1 48 48 ASP N N 15 120.330 0.008 . . . . . A 48 ASP N . 30161 1 533 . 1 1 49 49 LEU H H 1 7.459 0.001 . . . . . A 49 LEU H . 30161 1 534 . 1 1 49 49 LEU HA H 1 4.615 0.000 . . . . . A 49 LEU HA . 30161 1 535 . 1 1 49 49 LEU HB2 H 1 1.371 0.002 . . . . . A 49 LEU HB2 . 30161 1 536 . 1 1 49 49 LEU HB3 H 1 1.494 0.001 . . . . . A 49 LEU HB3 . 30161 1 537 . 1 1 49 49 LEU HG H 1 1.169 0.000 . . . . . A 49 LEU HG . 30161 1 538 . 1 1 49 49 LEU HD11 H 1 0.692 0.000 . . . . . A 49 LEU HD11 . 30161 1 539 . 1 1 49 49 LEU HD12 H 1 0.692 0.000 . . . . . A 49 LEU HD12 . 30161 1 540 . 1 1 49 49 LEU HD13 H 1 0.692 0.000 . . . . . A 49 LEU HD13 . 30161 1 541 . 1 1 49 49 LEU HD21 H 1 0.489 0.002 . . . . . A 49 LEU HD21 . 30161 1 542 . 1 1 49 49 LEU HD22 H 1 0.489 0.002 . . . . . A 49 LEU HD22 . 30161 1 543 . 1 1 49 49 LEU HD23 H 1 0.489 0.002 . . . . . A 49 LEU HD23 . 30161 1 544 . 1 1 49 49 LEU C C 13 173.851 0.000 . . . . . A 49 LEU C . 30161 1 545 . 1 1 49 49 LEU CA C 13 54.584 0.013 . . . . . A 49 LEU CA . 30161 1 546 . 1 1 49 49 LEU CB C 13 44.954 0.014 . . . . . A 49 LEU CB . 30161 1 547 . 1 1 49 49 LEU CG C 13 27.462 0.000 . . . . . A 49 LEU CG . 30161 1 548 . 1 1 49 49 LEU CD1 C 13 24.796 0.061 . . . . . A 49 LEU CD1 . 30161 1 549 . 1 1 49 49 LEU CD2 C 13 27.181 0.023 . . . . . A 49 LEU CD2 . 30161 1 550 . 1 1 49 49 LEU N N 15 117.201 0.008 . . . . . A 49 LEU N . 30161 1 551 . 1 1 50 50 VAL H H 1 7.831 0.004 . . . . . A 50 VAL H . 30161 1 552 . 1 1 50 50 VAL HA H 1 5.046 0.000 . . . . . A 50 VAL HA . 30161 1 553 . 1 1 50 50 VAL HB H 1 1.850 0.000 . . . . . A 50 VAL HB . 30161 1 554 . 1 1 50 50 VAL HG11 H 1 0.537 0.001 . . . . . A 50 VAL HG11 . 30161 1 555 . 1 1 50 50 VAL HG12 H 1 0.537 0.001 . . . . . A 50 VAL HG12 . 30161 1 556 . 1 1 50 50 VAL HG13 H 1 0.537 0.001 . . . . . A 50 VAL HG13 . 30161 1 557 . 1 1 50 50 VAL HG21 H 1 0.852 0.000 . . . . . A 50 VAL HG21 . 30161 1 558 . 1 1 50 50 VAL HG22 H 1 0.852 0.000 . . . . . A 50 VAL HG22 . 30161 1 559 . 1 1 50 50 VAL HG23 H 1 0.852 0.000 . . . . . A 50 VAL HG23 . 30161 1 560 . 1 1 50 50 VAL C C 13 173.561 0.000 . . . . . A 50 VAL C . 30161 1 561 . 1 1 50 50 VAL CA C 13 60.134 0.037 . . . . . A 50 VAL CA . 30161 1 562 . 1 1 50 50 VAL CB C 13 34.566 0.015 . . . . . A 50 VAL CB . 30161 1 563 . 1 1 50 50 VAL CG1 C 13 20.094 0.015 . . . . . A 50 VAL CG1 . 30161 1 564 . 1 1 50 50 VAL CG2 C 13 20.744 0.007 . . . . . A 50 VAL CG2 . 30161 1 565 . 1 1 50 50 VAL N N 15 124.396 0.132 . . . . . A 50 VAL N . 30161 1 566 . 1 1 51 51 LEU H H 1 9.124 0.002 . . . . . A 51 LEU H . 30161 1 567 . 1 1 51 51 LEU HA H 1 5.249 0.003 . . . . . A 51 LEU HA . 30161 1 568 . 1 1 51 51 LEU HB2 H 1 1.168 0.001 . . . . . A 51 LEU HB2 . 30161 1 569 . 1 1 51 51 LEU HB3 H 1 1.407 0.002 . . . . . A 51 LEU HB3 . 30161 1 570 . 1 1 51 51 LEU HD11 H 1 0.602 0.000 . . . . . A 51 LEU HD11 . 30161 1 571 . 1 1 51 51 LEU HD12 H 1 0.602 0.000 . . . . . A 51 LEU HD12 . 30161 1 572 . 1 1 51 51 LEU HD13 H 1 0.602 0.000 . . . . . A 51 LEU HD13 . 30161 1 573 . 1 1 51 51 LEU C C 13 175.425 0.000 . . . . . A 51 LEU C . 30161 1 574 . 1 1 51 51 LEU CA C 13 52.673 0.017 . . . . . A 51 LEU CA . 30161 1 575 . 1 1 51 51 LEU CB C 13 44.779 0.027 . . . . . A 51 LEU CB . 30161 1 576 . 1 1 51 51 LEU CD1 C 13 25.817 0.021 . . . . . A 51 LEU CD1 . 30161 1 577 . 1 1 51 51 LEU N N 15 126.816 0.005 . . . . . A 51 LEU N . 30161 1 578 . 1 1 52 52 THR H H 1 8.580 0.002 . . . . . A 52 THR H . 30161 1 579 . 1 1 52 52 THR HA H 1 5.356 0.000 . . . . . A 52 THR HA . 30161 1 580 . 1 1 52 52 THR HB H 1 3.597 0.000 . . . . . A 52 THR HB . 30161 1 581 . 1 1 52 52 THR HG21 H 1 0.948 0.000 . . . . . A 52 THR HG21 . 30161 1 582 . 1 1 52 52 THR HG22 H 1 0.948 0.000 . . . . . A 52 THR HG22 . 30161 1 583 . 1 1 52 52 THR HG23 H 1 0.948 0.000 . . . . . A 52 THR HG23 . 30161 1 584 . 1 1 52 52 THR CA C 13 58.831 0.000 . . . . . A 52 THR CA . 30161 1 585 . 1 1 52 52 THR CB C 13 70.481 0.045 . . . . . A 52 THR CB . 30161 1 586 . 1 1 52 52 THR CG2 C 13 19.668 0.000 . . . . . A 52 THR CG2 . 30161 1 587 . 1 1 52 52 THR N N 15 115.264 0.010 . . . . . A 52 THR N . 30161 1 588 . 1 1 53 53 ASP H H 1 7.991 0.015 . . . . . A 53 ASP H . 30161 1 589 . 1 1 53 53 ASP HA H 1 4.961 0.000 . . . . . A 53 ASP HA . 30161 1 590 . 1 1 53 53 ASP HB2 H 1 2.988 0.000 . . . . . A 53 ASP HB2 . 30161 1 591 . 1 1 53 53 ASP CA C 13 54.077 0.000 . . . . . A 53 ASP CA . 30161 1 592 . 1 1 53 53 ASP CB C 13 42.596 0.000 . . . . . A 53 ASP CB . 30161 1 593 . 1 1 53 53 ASP N N 15 127.437 0.129 . . . . . A 53 ASP N . 30161 1 594 . 1 1 57 57 PRO HA H 1 4.251 0.000 . . . . . A 57 PRO HA . 30161 1 595 . 1 1 57 57 PRO HB2 H 1 2.271 0.003 . . . . . A 57 PRO HB2 . 30161 1 596 . 1 1 57 57 PRO HG2 H 1 2.030 0.001 . . . . . A 57 PRO HG2 . 30161 1 597 . 1 1 57 57 PRO HD2 H 1 3.745 0.000 . . . . . A 57 PRO HD2 . 30161 1 598 . 1 1 57 57 PRO CA C 13 63.624 0.000 . . . . . A 57 PRO CA . 30161 1 599 . 1 1 57 57 PRO CB C 13 32.327 0.009 . . . . . A 57 PRO CB . 30161 1 600 . 1 1 57 57 PRO CG C 13 27.619 0.046 . . . . . A 57 PRO CG . 30161 1 601 . 1 1 57 57 PRO CD C 13 50.772 0.006 . . . . . A 57 PRO CD . 30161 1 602 . 1 1 59 59 LYS HA H 1 4.198 0.000 . . . . . A 59 LYS HA . 30161 1 603 . 1 1 59 59 LYS HB2 H 1 1.511 0.000 . . . . . A 59 LYS HB2 . 30161 1 604 . 1 1 59 59 LYS HB3 H 1 1.631 0.000 . . . . . A 59 LYS HB3 . 30161 1 605 . 1 1 59 59 LYS HG2 H 1 1.284 0.000 . . . . . A 59 LYS HG2 . 30161 1 606 . 1 1 59 59 LYS HD2 H 1 1.347 0.000 . . . . . A 59 LYS HD2 . 30161 1 607 . 1 1 59 59 LYS HD3 H 1 1.402 0.000 . . . . . A 59 LYS HD3 . 30161 1 608 . 1 1 59 59 LYS HE2 H 1 2.608 0.000 . . . . . A 59 LYS HE2 . 30161 1 609 . 1 1 59 59 LYS HE3 H 1 2.658 0.000 . . . . . A 59 LYS HE3 . 30161 1 610 . 1 1 59 59 LYS CA C 13 56.703 0.022 . . . . . A 59 LYS CA . 30161 1 611 . 1 1 59 59 LYS CB C 13 33.368 0.029 . . . . . A 59 LYS CB . 30161 1 612 . 1 1 59 59 LYS CG C 13 24.476 0.042 . . . . . A 59 LYS CG . 30161 1 613 . 1 1 59 59 LYS CD C 13 28.921 0.020 . . . . . A 59 LYS CD . 30161 1 614 . 1 1 59 59 LYS CE C 13 41.212 0.033 . . . . . A 59 LYS CE . 30161 1 615 . 1 1 61 61 GLY HA2 H 1 3.727 0.000 . . . . . A 61 GLY HA2 . 30161 1 616 . 1 1 61 61 GLY HA3 H 1 4.114 0.000 . . . . . A 61 GLY HA3 . 30161 1 617 . 1 1 61 61 GLY CA C 13 47.950 0.031 . . . . . A 61 GLY CA . 30161 1 618 . 1 1 62 62 LEU HB2 H 1 1.406 0.000 . . . . . A 62 LEU HB2 . 30161 1 619 . 1 1 62 62 LEU HG H 1 1.383 0.000 . . . . . A 62 LEU HG . 30161 1 620 . 1 1 62 62 LEU HD11 H 1 0.902 0.000 . . . . . A 62 LEU HD11 . 30161 1 621 . 1 1 62 62 LEU HD12 H 1 0.902 0.000 . . . . . A 62 LEU HD12 . 30161 1 622 . 1 1 62 62 LEU HD13 H 1 0.902 0.000 . . . . . A 62 LEU HD13 . 30161 1 623 . 1 1 62 62 LEU HD21 H 1 0.819 0.000 . . . . . A 62 LEU HD21 . 30161 1 624 . 1 1 62 62 LEU HD22 H 1 0.819 0.000 . . . . . A 62 LEU HD22 . 30161 1 625 . 1 1 62 62 LEU HD23 H 1 0.819 0.000 . . . . . A 62 LEU HD23 . 30161 1 626 . 1 1 62 62 LEU CB C 13 41.147 0.000 . . . . . A 62 LEU CB . 30161 1 627 . 1 1 62 62 LEU CG C 13 27.408 0.000 . . . . . A 62 LEU CG . 30161 1 628 . 1 1 62 62 LEU CD1 C 13 23.837 0.000 . . . . . A 62 LEU CD1 . 30161 1 629 . 1 1 62 62 LEU CD2 C 13 26.265 0.000 . . . . . A 62 LEU CD2 . 30161 1 630 . 1 1 65 65 ILE HA H 1 3.204 0.000 . . . . . A 65 ILE HA . 30161 1 631 . 1 1 65 65 ILE HB H 1 1.641 0.000 . . . . . A 65 ILE HB . 30161 1 632 . 1 1 65 65 ILE HG12 H 1 0.651 0.001 . . . . . A 65 ILE HG12 . 30161 1 633 . 1 1 65 65 ILE HG13 H 1 1.963 0.000 . . . . . A 65 ILE HG13 . 30161 1 634 . 1 1 65 65 ILE HG21 H 1 0.565 0.001 . . . . . A 65 ILE HG21 . 30161 1 635 . 1 1 65 65 ILE HG22 H 1 0.565 0.001 . . . . . A 65 ILE HG22 . 30161 1 636 . 1 1 65 65 ILE HG23 H 1 0.565 0.001 . . . . . A 65 ILE HG23 . 30161 1 637 . 1 1 65 65 ILE HD11 H 1 0.588 0.002 . . . . . A 65 ILE HD11 . 30161 1 638 . 1 1 65 65 ILE HD12 H 1 0.588 0.002 . . . . . A 65 ILE HD12 . 30161 1 639 . 1 1 65 65 ILE HD13 H 1 0.588 0.002 . . . . . A 65 ILE HD13 . 30161 1 640 . 1 1 65 65 ILE C C 13 176.625 0.000 . . . . . A 65 ILE C . 30161 1 641 . 1 1 65 65 ILE CA C 13 66.846 0.030 . . . . . A 65 ILE CA . 30161 1 642 . 1 1 65 65 ILE CB C 13 37.753 0.035 . . . . . A 65 ILE CB . 30161 1 643 . 1 1 65 65 ILE CG1 C 13 29.063 0.030 . . . . . A 65 ILE CG1 . 30161 1 644 . 1 1 65 65 ILE CG2 C 13 15.995 0.004 . . . . . A 65 ILE CG2 . 30161 1 645 . 1 1 65 65 ILE CD1 C 13 14.356 0.010 . . . . . A 65 ILE CD1 . 30161 1 646 . 1 1 66 66 ALA H H 1 7.463 0.003 . . . . . A 66 ALA H . 30161 1 647 . 1 1 66 66 ALA HA H 1 4.095 0.002 . . . . . A 66 ALA HA . 30161 1 648 . 1 1 66 66 ALA HB1 H 1 1.361 0.000 . . . . . A 66 ALA HB1 . 30161 1 649 . 1 1 66 66 ALA HB2 H 1 1.361 0.000 . . . . . A 66 ALA HB2 . 30161 1 650 . 1 1 66 66 ALA HB3 H 1 1.361 0.000 . . . . . A 66 ALA HB3 . 30161 1 651 . 1 1 66 66 ALA C C 13 180.394 0.000 . . . . . A 66 ALA C . 30161 1 652 . 1 1 66 66 ALA CA C 13 54.913 0.007 . . . . . A 66 ALA CA . 30161 1 653 . 1 1 66 66 ALA CB C 13 17.901 0.002 . . . . . A 66 ALA CB . 30161 1 654 . 1 1 66 66 ALA N N 15 119.264 0.013 . . . . . A 66 ALA N . 30161 1 655 . 1 1 67 67 ALA H H 1 7.600 0.004 . . . . . A 67 ALA H . 30161 1 656 . 1 1 67 67 ALA HA H 1 4.008 0.001 . . . . . A 67 ALA HA . 30161 1 657 . 1 1 67 67 ALA HB1 H 1 1.220 0.001 . . . . . A 67 ALA HB1 . 30161 1 658 . 1 1 67 67 ALA HB2 H 1 1.220 0.001 . . . . . A 67 ALA HB2 . 30161 1 659 . 1 1 67 67 ALA HB3 H 1 1.220 0.001 . . . . . A 67 ALA HB3 . 30161 1 660 . 1 1 67 67 ALA C C 13 181.748 0.000 . . . . . A 67 ALA C . 30161 1 661 . 1 1 67 67 ALA CA C 13 54.810 0.017 . . . . . A 67 ALA CA . 30161 1 662 . 1 1 67 67 ALA CB C 13 18.148 0.010 . . . . . A 67 ALA CB . 30161 1 663 . 1 1 67 67 ALA N N 15 119.810 0.009 . . . . . A 67 ALA N . 30161 1 664 . 1 1 68 68 LEU H H 1 8.664 0.002 . . . . . A 68 LEU H . 30161 1 665 . 1 1 68 68 LEU HA H 1 3.873 0.002 . . . . . A 68 LEU HA . 30161 1 666 . 1 1 68 68 LEU HB2 H 1 0.811 0.000 . . . . . A 68 LEU HB2 . 30161 1 667 . 1 1 68 68 LEU HB3 H 1 1.880 0.001 . . . . . A 68 LEU HB3 . 30161 1 668 . 1 1 68 68 LEU HD11 H 1 0.171 0.001 . . . . . A 68 LEU HD11 . 30161 1 669 . 1 1 68 68 LEU HD12 H 1 0.171 0.001 . . . . . A 68 LEU HD12 . 30161 1 670 . 1 1 68 68 LEU HD13 H 1 0.171 0.001 . . . . . A 68 LEU HD13 . 30161 1 671 . 1 1 68 68 LEU HD21 H 1 0.394 0.003 . . . . . A 68 LEU HD21 . 30161 1 672 . 1 1 68 68 LEU HD22 H 1 0.394 0.003 . . . . . A 68 LEU HD22 . 30161 1 673 . 1 1 68 68 LEU HD23 H 1 0.394 0.003 . . . . . A 68 LEU HD23 . 30161 1 674 . 1 1 68 68 LEU C C 13 178.970 0.000 . . . . . A 68 LEU C . 30161 1 675 . 1 1 68 68 LEU CA C 13 57.990 0.017 . . . . . A 68 LEU CA . 30161 1 676 . 1 1 68 68 LEU CB C 13 41.315 0.046 . . . . . A 68 LEU CB . 30161 1 677 . 1 1 68 68 LEU CD1 C 13 23.343 0.031 . . . . . A 68 LEU CD1 . 30161 1 678 . 1 1 68 68 LEU CD2 C 13 26.242 0.022 . . . . . A 68 LEU CD2 . 30161 1 679 . 1 1 68 68 LEU N N 15 120.139 0.050 . . . . . A 68 LEU N . 30161 1 680 . 1 1 69 69 ARG H H 1 7.973 0.003 . . . . . A 69 ARG H . 30161 1 681 . 1 1 69 69 ARG HA H 1 3.883 0.003 . . . . . A 69 ARG HA . 30161 1 682 . 1 1 69 69 ARG HB2 H 1 1.913 0.000 . . . . . A 69 ARG HB2 . 30161 1 683 . 1 1 69 69 ARG HB3 H 1 2.021 0.001 . . . . . A 69 ARG HB3 . 30161 1 684 . 1 1 69 69 ARG HG2 H 1 1.792 0.001 . . . . . A 69 ARG HG2 . 30161 1 685 . 1 1 69 69 ARG C C 13 177.216 0.000 . . . . . A 69 ARG C . 30161 1 686 . 1 1 69 69 ARG CA C 13 56.445 0.037 . . . . . A 69 ARG CA . 30161 1 687 . 1 1 69 69 ARG CB C 13 29.259 0.014 . . . . . A 69 ARG CB . 30161 1 688 . 1 1 69 69 ARG CG C 13 27.331 0.001 . . . . . A 69 ARG CG . 30161 1 689 . 1 1 69 69 ARG CD C 13 42.591 0.000 . . . . . A 69 ARG CD . 30161 1 690 . 1 1 69 69 ARG N N 15 113.017 0.012 . . . . . A 69 ARG N . 30161 1 691 . 1 1 70 70 GLN H H 1 7.134 0.002 . . . . . A 70 GLN H . 30161 1 692 . 1 1 70 70 GLN HA H 1 4.193 0.001 . . . . . A 70 GLN HA . 30161 1 693 . 1 1 70 70 GLN HB2 H 1 2.040 0.001 . . . . . A 70 GLN HB2 . 30161 1 694 . 1 1 70 70 GLN HB3 H 1 2.263 0.003 . . . . . A 70 GLN HB3 . 30161 1 695 . 1 1 70 70 GLN HG2 H 1 2.383 0.000 . . . . . A 70 GLN HG2 . 30161 1 696 . 1 1 70 70 GLN HG3 H 1 2.502 0.001 . . . . . A 70 GLN HG3 . 30161 1 697 . 1 1 70 70 GLN HE21 H 1 6.701 0.000 . . . . . A 70 GLN HE21 . 30161 1 698 . 1 1 70 70 GLN HE22 H 1 7.425 0.000 . . . . . A 70 GLN HE22 . 30161 1 699 . 1 1 70 70 GLN C C 13 176.851 0.000 . . . . . A 70 GLN C . 30161 1 700 . 1 1 70 70 GLN CA C 13 55.939 0.067 . . . . . A 70 GLN CA . 30161 1 701 . 1 1 70 70 GLN CB C 13 28.899 0.027 . . . . . A 70 GLN CB . 30161 1 702 . 1 1 70 70 GLN CG C 13 33.886 0.029 . . . . . A 70 GLN CG . 30161 1 703 . 1 1 70 70 GLN N N 15 115.478 0.008 . . . . . A 70 GLN N . 30161 1 704 . 1 1 70 70 GLN NE2 N 15 112.944 0.002 . . . . . A 70 GLN NE2 . 30161 1 705 . 1 1 71 71 LEU H H 1 7.979 0.002 . . . . . A 71 LEU H . 30161 1 706 . 1 1 71 71 LEU HA H 1 4.511 0.002 . . . . . A 71 LEU HA . 30161 1 707 . 1 1 71 71 LEU HB2 H 1 2.398 0.002 . . . . . A 71 LEU HB2 . 30161 1 708 . 1 1 71 71 LEU HB3 H 1 1.639 0.000 . . . . . A 71 LEU HB3 . 30161 1 709 . 1 1 71 71 LEU HD11 H 1 0.878 0.002 . . . . . A 71 LEU HD11 . 30161 1 710 . 1 1 71 71 LEU HD12 H 1 0.878 0.002 . . . . . A 71 LEU HD12 . 30161 1 711 . 1 1 71 71 LEU HD13 H 1 0.878 0.002 . . . . . A 71 LEU HD13 . 30161 1 712 . 1 1 71 71 LEU C C 13 179.351 0.000 . . . . . A 71 LEU C . 30161 1 713 . 1 1 71 71 LEU CA C 13 54.093 0.010 . . . . . A 71 LEU CA . 30161 1 714 . 1 1 71 71 LEU CB C 13 41.756 0.026 . . . . . A 71 LEU CB . 30161 1 715 . 1 1 71 71 LEU CD1 C 13 22.501 0.023 . . . . . A 71 LEU CD1 . 30161 1 716 . 1 1 71 71 LEU N N 15 122.180 0.022 . . . . . A 71 LEU N . 30161 1 717 . 1 1 72 72 SER H H 1 8.835 0.002 . . . . . A 72 SER H . 30161 1 718 . 1 1 72 72 SER HA H 1 3.846 0.000 . . . . . A 72 SER HA . 30161 1 719 . 1 1 72 72 SER C C 13 177.014 0.000 . . . . . A 72 SER C . 30161 1 720 . 1 1 72 72 SER CA C 13 62.442 0.006 . . . . . A 72 SER CA . 30161 1 721 . 1 1 72 72 SER N N 15 121.920 0.009 . . . . . A 72 SER N . 30161 1 722 . 1 1 73 73 ALA H H 1 8.535 0.001 . . . . . A 73 ALA H . 30161 1 723 . 1 1 73 73 ALA HA H 1 4.017 0.002 . . . . . A 73 ALA HA . 30161 1 724 . 1 1 73 73 ALA HB1 H 1 1.126 0.001 . . . . . A 73 ALA HB1 . 30161 1 725 . 1 1 73 73 ALA HB2 H 1 1.126 0.001 . . . . . A 73 ALA HB2 . 30161 1 726 . 1 1 73 73 ALA HB3 H 1 1.126 0.001 . . . . . A 73 ALA HB3 . 30161 1 727 . 1 1 73 73 ALA C C 13 178.005 0.000 . . . . . A 73 ALA C . 30161 1 728 . 1 1 73 73 ALA CA C 13 53.633 0.014 . . . . . A 73 ALA CA . 30161 1 729 . 1 1 73 73 ALA CB C 13 18.543 0.014 . . . . . A 73 ALA CB . 30161 1 730 . 1 1 73 73 ALA N N 15 120.472 0.004 . . . . . A 73 ALA N . 30161 1 731 . 1 1 74 74 TYR H H 1 7.502 0.000 . . . . . A 74 TYR H . 30161 1 732 . 1 1 74 74 TYR HA H 1 5.026 0.000 . . . . . A 74 TYR HA . 30161 1 733 . 1 1 74 74 TYR HB2 H 1 3.054 0.000 . . . . . A 74 TYR HB2 . 30161 1 734 . 1 1 74 74 TYR HE1 H 1 6.801 0.000 . . . . . A 74 TYR HE1 . 30161 1 735 . 1 1 74 74 TYR HE2 H 1 6.801 0.000 . . . . . A 74 TYR HE2 . 30161 1 736 . 1 1 74 74 TYR C C 13 175.891 0.000 . . . . . A 74 TYR C . 30161 1 737 . 1 1 74 74 TYR CA C 13 57.219 0.052 . . . . . A 74 TYR CA . 30161 1 738 . 1 1 74 74 TYR CB C 13 38.365 0.010 . . . . . A 74 TYR CB . 30161 1 739 . 1 1 74 74 TYR CE2 C 13 118.051 0.000 . . . . . A 74 TYR CE2 . 30161 1 740 . 1 1 74 74 TYR N N 15 114.878 0.016 . . . . . A 74 TYR N . 30161 1 741 . 1 1 75 75 ALA H H 1 7.218 0.002 . . . . . A 75 ALA H . 30161 1 742 . 1 1 75 75 ALA HA H 1 4.045 0.000 . . . . . A 75 ALA HA . 30161 1 743 . 1 1 75 75 ALA HB1 H 1 1.367 0.001 . . . . . A 75 ALA HB1 . 30161 1 744 . 1 1 75 75 ALA HB2 H 1 1.367 0.001 . . . . . A 75 ALA HB2 . 30161 1 745 . 1 1 75 75 ALA HB3 H 1 1.367 0.001 . . . . . A 75 ALA HB3 . 30161 1 746 . 1 1 75 75 ALA C C 13 178.911 0.000 . . . . . A 75 ALA C . 30161 1 747 . 1 1 75 75 ALA CA C 13 56.367 0.009 . . . . . A 75 ALA CA . 30161 1 748 . 1 1 75 75 ALA CB C 13 18.849 0.015 . . . . . A 75 ALA CB . 30161 1 749 . 1 1 75 75 ALA N N 15 123.621 0.040 . . . . . A 75 ALA N . 30161 1 750 . 1 1 76 76 ASP H H 1 8.462 0.001 . . . . . A 76 ASP H . 30161 1 751 . 1 1 76 76 ASP HA H 1 4.754 0.001 . . . . . A 76 ASP HA . 30161 1 752 . 1 1 76 76 ASP HB2 H 1 2.379 0.000 . . . . . A 76 ASP HB2 . 30161 1 753 . 1 1 76 76 ASP HB3 H 1 2.636 0.003 . . . . . A 76 ASP HB3 . 30161 1 754 . 1 1 76 76 ASP C C 13 176.297 0.000 . . . . . A 76 ASP C . 30161 1 755 . 1 1 76 76 ASP CA C 13 53.315 0.044 . . . . . A 76 ASP CA . 30161 1 756 . 1 1 76 76 ASP CB C 13 42.330 0.007 . . . . . A 76 ASP CB . 30161 1 757 . 1 1 76 76 ASP N N 15 112.084 0.005 . . . . . A 76 ASP N . 30161 1 758 . 1 1 77 77 THR H H 1 6.997 0.002 . . . . . A 77 THR H . 30161 1 759 . 1 1 77 77 THR HA H 1 4.194 0.003 . . . . . A 77 THR HA . 30161 1 760 . 1 1 77 77 THR HB H 1 3.698 0.003 . . . . . A 77 THR HB . 30161 1 761 . 1 1 77 77 THR HG21 H 1 1.297 0.003 . . . . . A 77 THR HG21 . 30161 1 762 . 1 1 77 77 THR HG22 H 1 1.297 0.003 . . . . . A 77 THR HG22 . 30161 1 763 . 1 1 77 77 THR HG23 H 1 1.297 0.003 . . . . . A 77 THR HG23 . 30161 1 764 . 1 1 77 77 THR CA C 13 61.846 0.012 . . . . . A 77 THR CA . 30161 1 765 . 1 1 77 77 THR CB C 13 71.329 0.077 . . . . . A 77 THR CB . 30161 1 766 . 1 1 77 77 THR CG2 C 13 20.484 0.008 . . . . . A 77 THR CG2 . 30161 1 767 . 1 1 77 77 THR N N 15 119.220 0.085 . . . . . A 77 THR N . 30161 1 768 . 1 1 78 78 PRO HA H 1 4.676 0.000 . . . . . A 78 PRO HA . 30161 1 769 . 1 1 78 78 PRO HB2 H 1 1.680 0.004 . . . . . A 78 PRO HB2 . 30161 1 770 . 1 1 78 78 PRO HB3 H 1 2.124 0.001 . . . . . A 78 PRO HB3 . 30161 1 771 . 1 1 78 78 PRO HG2 H 1 2.309 0.000 . . . . . A 78 PRO HG2 . 30161 1 772 . 1 1 78 78 PRO HD2 H 1 4.208 0.002 . . . . . A 78 PRO HD2 . 30161 1 773 . 1 1 78 78 PRO C C 13 175.553 0.000 . . . . . A 78 PRO C . 30161 1 774 . 1 1 78 78 PRO CA C 13 62.823 0.000 . . . . . A 78 PRO CA . 30161 1 775 . 1 1 78 78 PRO CB C 13 30.841 0.012 . . . . . A 78 PRO CB . 30161 1 776 . 1 1 78 78 PRO CG C 13 27.844 0.003 . . . . . A 78 PRO CG . 30161 1 777 . 1 1 78 78 PRO CD C 13 50.888 0.006 . . . . . A 78 PRO CD . 30161 1 778 . 1 1 79 79 ILE H H 1 7.967 0.002 . . . . . A 79 ILE H . 30161 1 779 . 1 1 79 79 ILE HA H 1 4.970 0.001 . . . . . A 79 ILE HA . 30161 1 780 . 1 1 79 79 ILE HB H 1 1.504 0.001 . . . . . A 79 ILE HB . 30161 1 781 . 1 1 79 79 ILE HG12 H 1 0.691 0.001 . . . . . A 79 ILE HG12 . 30161 1 782 . 1 1 79 79 ILE HG13 H 1 1.803 0.003 . . . . . A 79 ILE HG13 . 30161 1 783 . 1 1 79 79 ILE HG21 H 1 0.591 0.002 . . . . . A 79 ILE HG21 . 30161 1 784 . 1 1 79 79 ILE HG22 H 1 0.591 0.002 . . . . . A 79 ILE HG22 . 30161 1 785 . 1 1 79 79 ILE HG23 H 1 0.591 0.002 . . . . . A 79 ILE HG23 . 30161 1 786 . 1 1 79 79 ILE HD11 H 1 0.690 0.001 . . . . . A 79 ILE HD11 . 30161 1 787 . 1 1 79 79 ILE HD12 H 1 0.690 0.001 . . . . . A 79 ILE HD12 . 30161 1 788 . 1 1 79 79 ILE HD13 H 1 0.690 0.001 . . . . . A 79 ILE HD13 . 30161 1 789 . 1 1 79 79 ILE C C 13 175.368 0.000 . . . . . A 79 ILE C . 30161 1 790 . 1 1 79 79 ILE CA C 13 60.433 0.076 . . . . . A 79 ILE CA . 30161 1 791 . 1 1 79 79 ILE CB C 13 41.133 0.008 . . . . . A 79 ILE CB . 30161 1 792 . 1 1 79 79 ILE CG1 C 13 26.116 0.012 . . . . . A 79 ILE CG1 . 30161 1 793 . 1 1 79 79 ILE CG2 C 13 16.653 0.000 . . . . . A 79 ILE CG2 . 30161 1 794 . 1 1 79 79 ILE CD1 C 13 14.001 0.014 . . . . . A 79 ILE CD1 . 30161 1 795 . 1 1 79 79 ILE N N 15 121.597 0.010 . . . . . A 79 ILE N . 30161 1 796 . 1 1 80 80 LEU H H 1 8.915 0.002 . . . . . A 80 LEU H . 30161 1 797 . 1 1 80 80 LEU HA H 1 4.998 0.002 . . . . . A 80 LEU HA . 30161 1 798 . 1 1 80 80 LEU HB2 H 1 0.942 0.002 . . . . . A 80 LEU HB2 . 30161 1 799 . 1 1 80 80 LEU HB3 H 1 1.475 0.002 . . . . . A 80 LEU HB3 . 30161 1 800 . 1 1 80 80 LEU HG H 1 1.247 0.001 . . . . . A 80 LEU HG . 30161 1 801 . 1 1 80 80 LEU HD11 H 1 0.425 0.001 . . . . . A 80 LEU HD11 . 30161 1 802 . 1 1 80 80 LEU HD12 H 1 0.425 0.001 . . . . . A 80 LEU HD12 . 30161 1 803 . 1 1 80 80 LEU HD13 H 1 0.425 0.001 . . . . . A 80 LEU HD13 . 30161 1 804 . 1 1 80 80 LEU HD21 H 1 0.526 0.001 . . . . . A 80 LEU HD21 . 30161 1 805 . 1 1 80 80 LEU HD22 H 1 0.526 0.001 . . . . . A 80 LEU HD22 . 30161 1 806 . 1 1 80 80 LEU HD23 H 1 0.526 0.001 . . . . . A 80 LEU HD23 . 30161 1 807 . 1 1 80 80 LEU C C 13 175.060 0.000 . . . . . A 80 LEU C . 30161 1 808 . 1 1 80 80 LEU CA C 13 52.680 0.020 . . . . . A 80 LEU CA . 30161 1 809 . 1 1 80 80 LEU CB C 13 44.468 0.017 . . . . . A 80 LEU CB . 30161 1 810 . 1 1 80 80 LEU CG C 13 27.708 0.006 . . . . . A 80 LEU CG . 30161 1 811 . 1 1 80 80 LEU CD1 C 13 23.212 0.032 . . . . . A 80 LEU CD1 . 30161 1 812 . 1 1 80 80 LEU CD2 C 13 24.921 0.004 . . . . . A 80 LEU CD2 . 30161 1 813 . 1 1 80 80 LEU N N 15 126.874 0.006 . . . . . A 80 LEU N . 30161 1 814 . 1 1 81 81 VAL H H 1 8.161 0.002 . . . . . A 81 VAL H . 30161 1 815 . 1 1 81 81 VAL HA H 1 5.268 0.002 . . . . . A 81 VAL HA . 30161 1 816 . 1 1 81 81 VAL HB H 1 1.928 0.001 . . . . . A 81 VAL HB . 30161 1 817 . 1 1 81 81 VAL HG11 H 1 1.107 0.002 . . . . . A 81 VAL HG11 . 30161 1 818 . 1 1 81 81 VAL HG12 H 1 1.107 0.002 . . . . . A 81 VAL HG12 . 30161 1 819 . 1 1 81 81 VAL HG13 H 1 1.107 0.002 . . . . . A 81 VAL HG13 . 30161 1 820 . 1 1 81 81 VAL HG21 H 1 1.011 0.002 . . . . . A 81 VAL HG21 . 30161 1 821 . 1 1 81 81 VAL HG22 H 1 1.011 0.002 . . . . . A 81 VAL HG22 . 30161 1 822 . 1 1 81 81 VAL HG23 H 1 1.011 0.002 . . . . . A 81 VAL HG23 . 30161 1 823 . 1 1 81 81 VAL C C 13 174.194 0.000 . . . . . A 81 VAL C . 30161 1 824 . 1 1 81 81 VAL CA C 13 58.080 0.026 . . . . . A 81 VAL CA . 30161 1 825 . 1 1 81 81 VAL CB C 13 34.667 0.012 . . . . . A 81 VAL CB . 30161 1 826 . 1 1 81 81 VAL CG1 C 13 20.706 0.024 . . . . . A 81 VAL CG1 . 30161 1 827 . 1 1 81 81 VAL CG2 C 13 22.049 0.029 . . . . . A 81 VAL CG2 . 30161 1 828 . 1 1 81 81 VAL N N 15 119.498 0.008 . . . . . A 81 VAL N . 30161 1 829 . 1 1 82 82 LEU H H 1 8.924 0.009 . . . . . A 82 LEU H . 30161 1 830 . 1 1 82 82 LEU HA H 1 5.323 0.003 . . . . . A 82 LEU HA . 30161 1 831 . 1 1 82 82 LEU HB2 H 1 1.181 0.001 . . . . . A 82 LEU HB2 . 30161 1 832 . 1 1 82 82 LEU HB3 H 1 1.874 0.001 . . . . . A 82 LEU HB3 . 30161 1 833 . 1 1 82 82 LEU HG H 1 1.499 0.000 . . . . . A 82 LEU HG . 30161 1 834 . 1 1 82 82 LEU HD11 H 1 0.727 0.000 . . . . . A 82 LEU HD11 . 30161 1 835 . 1 1 82 82 LEU HD12 H 1 0.727 0.000 . . . . . A 82 LEU HD12 . 30161 1 836 . 1 1 82 82 LEU HD13 H 1 0.727 0.000 . . . . . A 82 LEU HD13 . 30161 1 837 . 1 1 82 82 LEU C C 13 175.919 0.000 . . . . . A 82 LEU C . 30161 1 838 . 1 1 82 82 LEU CA C 13 53.761 0.011 . . . . . A 82 LEU CA . 30161 1 839 . 1 1 82 82 LEU CB C 13 42.132 0.028 . . . . . A 82 LEU CB . 30161 1 840 . 1 1 82 82 LEU CG C 13 28.007 0.000 . . . . . A 82 LEU CG . 30161 1 841 . 1 1 82 82 LEU CD1 C 13 25.403 0.000 . . . . . A 82 LEU CD1 . 30161 1 842 . 1 1 82 82 LEU N N 15 128.767 0.058 . . . . . A 82 LEU N . 30161 1 843 . 1 1 83 83 THR H H 1 8.528 0.002 . . . . . A 83 THR H . 30161 1 844 . 1 1 83 83 THR HA H 1 4.931 0.001 . . . . . A 83 THR HA . 30161 1 845 . 1 1 83 83 THR HB H 1 3.674 0.001 . . . . . A 83 THR HB . 30161 1 846 . 1 1 83 83 THR HG21 H 1 0.814 0.002 . . . . . A 83 THR HG21 . 30161 1 847 . 1 1 83 83 THR HG22 H 1 0.814 0.002 . . . . . A 83 THR HG22 . 30161 1 848 . 1 1 83 83 THR HG23 H 1 0.814 0.002 . . . . . A 83 THR HG23 . 30161 1 849 . 1 1 83 83 THR C C 13 173.211 0.000 . . . . . A 83 THR C . 30161 1 850 . 1 1 83 83 THR CA C 13 58.911 0.079 . . . . . A 83 THR CA . 30161 1 851 . 1 1 83 83 THR CB C 13 70.779 0.017 . . . . . A 83 THR CB . 30161 1 852 . 1 1 83 83 THR CG2 C 13 19.637 0.059 . . . . . A 83 THR CG2 . 30161 1 853 . 1 1 83 83 THR N N 15 114.488 0.012 . . . . . A 83 THR N . 30161 1 854 . 1 1 84 84 THR H H 1 8.198 0.001 . . . . . A 84 THR H . 30161 1 855 . 1 1 84 84 THR HA H 1 4.450 0.003 . . . . . A 84 THR HA . 30161 1 856 . 1 1 84 84 THR HB H 1 4.235 0.000 . . . . . A 84 THR HB . 30161 1 857 . 1 1 84 84 THR HG21 H 1 1.118 0.000 . . . . . A 84 THR HG21 . 30161 1 858 . 1 1 84 84 THR HG22 H 1 1.118 0.000 . . . . . A 84 THR HG22 . 30161 1 859 . 1 1 84 84 THR HG23 H 1 1.118 0.000 . . . . . A 84 THR HG23 . 30161 1 860 . 1 1 84 84 THR C C 13 174.998 0.000 . . . . . A 84 THR C . 30161 1 861 . 1 1 84 84 THR CA C 13 61.527 0.058 . . . . . A 84 THR CA . 30161 1 862 . 1 1 84 84 THR CB C 13 69.649 0.033 . . . . . A 84 THR CB . 30161 1 863 . 1 1 84 84 THR CG2 C 13 22.178 0.001 . . . . . A 84 THR CG2 . 30161 1 864 . 1 1 84 84 THR N N 15 115.784 0.025 . . . . . A 84 THR N . 30161 1 865 . 1 1 85 85 GLU H H 1 8.363 0.002 . . . . . A 85 GLU H . 30161 1 866 . 1 1 85 85 GLU HA H 1 4.142 0.007 . . . . . A 85 GLU HA . 30161 1 867 . 1 1 85 85 GLU HB2 H 1 1.674 0.020 . . . . . A 85 GLU HB2 . 30161 1 868 . 1 1 85 85 GLU HB3 H 1 1.740 0.000 . . . . . A 85 GLU HB3 . 30161 1 869 . 1 1 85 85 GLU HG2 H 1 1.976 0.000 . . . . . A 85 GLU HG2 . 30161 1 870 . 1 1 85 85 GLU HG3 H 1 2.045 0.001 . . . . . A 85 GLU HG3 . 30161 1 871 . 1 1 85 85 GLU C C 13 175.944 0.000 . . . . . A 85 GLU C . 30161 1 872 . 1 1 85 85 GLU CA C 13 56.399 0.021 . . . . . A 85 GLU CA . 30161 1 873 . 1 1 85 85 GLU CB C 13 30.412 0.025 . . . . . A 85 GLU CB . 30161 1 874 . 1 1 85 85 GLU CG C 13 35.882 0.040 . . . . . A 85 GLU CG . 30161 1 875 . 1 1 85 85 GLU N N 15 124.061 0.020 . . . . . A 85 GLU N . 30161 1 876 . 1 1 86 86 GLY H H 1 8.705 0.001 . . . . . A 86 GLY H . 30161 1 877 . 1 1 86 86 GLY HA2 H 1 3.880 0.000 . . . . . A 86 GLY HA2 . 30161 1 878 . 1 1 86 86 GLY HA3 H 1 3.445 0.002 . . . . . A 86 GLY HA3 . 30161 1 879 . 1 1 86 86 GLY C C 13 174.895 0.000 . . . . . A 86 GLY C . 30161 1 880 . 1 1 86 86 GLY CA C 13 45.440 0.020 . . . . . A 86 GLY CA . 30161 1 881 . 1 1 86 86 GLY N N 15 112.952 0.007 . . . . . A 86 GLY N . 30161 1 882 . 1 1 87 87 SER H H 1 7.545 0.001 . . . . . A 87 SER H . 30161 1 883 . 1 1 87 87 SER HA H 1 4.415 0.002 . . . . . A 87 SER HA . 30161 1 884 . 1 1 87 87 SER HB2 H 1 3.925 0.001 . . . . . A 87 SER HB2 . 30161 1 885 . 1 1 87 87 SER HB3 H 1 4.101 0.001 . . . . . A 87 SER HB3 . 30161 1 886 . 1 1 87 87 SER C C 13 174.836 0.000 . . . . . A 87 SER C . 30161 1 887 . 1 1 87 87 SER CA C 13 57.095 0.057 . . . . . A 87 SER CA . 30161 1 888 . 1 1 87 87 SER CB C 13 64.176 0.044 . . . . . A 87 SER CB . 30161 1 889 . 1 1 87 87 SER N N 15 116.155 0.002 . . . . . A 87 SER N . 30161 1 890 . 1 1 88 88 ASP H H 1 8.638 0.003 . . . . . A 88 ASP H . 30161 1 891 . 1 1 88 88 ASP HA H 1 4.089 0.001 . . . . . A 88 ASP HA . 30161 1 892 . 1 1 88 88 ASP HB2 H 1 2.503 0.000 . . . . . A 88 ASP HB2 . 30161 1 893 . 1 1 88 88 ASP C C 13 178.940 0.000 . . . . . A 88 ASP C . 30161 1 894 . 1 1 88 88 ASP CA C 13 57.825 0.019 . . . . . A 88 ASP CA . 30161 1 895 . 1 1 88 88 ASP CB C 13 39.754 0.024 . . . . . A 88 ASP CB . 30161 1 896 . 1 1 88 88 ASP N N 15 122.080 0.011 . . . . . A 88 ASP N . 30161 1 897 . 1 1 89 89 ALA H H 1 8.372 0.001 . . . . . A 89 ALA H . 30161 1 898 . 1 1 89 89 ALA HA H 1 4.010 0.000 . . . . . A 89 ALA HA . 30161 1 899 . 1 1 89 89 ALA HB1 H 1 1.292 0.000 . . . . . A 89 ALA HB1 . 30161 1 900 . 1 1 89 89 ALA HB2 H 1 1.292 0.000 . . . . . A 89 ALA HB2 . 30161 1 901 . 1 1 89 89 ALA HB3 H 1 1.292 0.000 . . . . . A 89 ALA HB3 . 30161 1 902 . 1 1 89 89 ALA C C 13 180.568 0.000 . . . . . A 89 ALA C . 30161 1 903 . 1 1 89 89 ALA CA C 13 55.052 0.005 . . . . . A 89 ALA CA . 30161 1 904 . 1 1 89 89 ALA CB C 13 17.749 0.001 . . . . . A 89 ALA CB . 30161 1 905 . 1 1 89 89 ALA N N 15 122.526 0.057 . . . . . A 89 ALA N . 30161 1 906 . 1 1 90 90 PHE H H 1 7.973 0.001 . . . . . A 90 PHE H . 30161 1 907 . 1 1 90 90 PHE HA H 1 3.976 0.000 . . . . . A 90 PHE HA . 30161 1 908 . 1 1 90 90 PHE HB2 H 1 3.093 0.002 . . . . . A 90 PHE HB2 . 30161 1 909 . 1 1 90 90 PHE HB3 H 1 2.754 0.001 . . . . . A 90 PHE HB3 . 30161 1 910 . 1 1 90 90 PHE HD1 H 1 6.854 0.000 . . . . . A 90 PHE HD1 . 30161 1 911 . 1 1 90 90 PHE HD2 H 1 6.854 0.000 . . . . . A 90 PHE HD2 . 30161 1 912 . 1 1 90 90 PHE C C 13 176.379 0.000 . . . . . A 90 PHE C . 30161 1 913 . 1 1 90 90 PHE CA C 13 61.543 0.016 . . . . . A 90 PHE CA . 30161 1 914 . 1 1 90 90 PHE CB C 13 38.573 0.056 . . . . . A 90 PHE CB . 30161 1 915 . 1 1 90 90 PHE CD2 C 13 132.586 0.000 . . . . . A 90 PHE CD2 . 30161 1 916 . 1 1 90 90 PHE N N 15 121.537 0.004 . . . . . A 90 PHE N . 30161 1 917 . 1 1 91 91 LYS H H 1 7.908 0.002 . . . . . A 91 LYS H . 30161 1 918 . 1 1 91 91 LYS HA H 1 2.785 0.003 . . . . . A 91 LYS HA . 30161 1 919 . 1 1 91 91 LYS HB2 H 1 1.168 0.003 . . . . . A 91 LYS HB2 . 30161 1 920 . 1 1 91 91 LYS HB3 H 1 1.382 0.006 . . . . . A 91 LYS HB3 . 30161 1 921 . 1 1 91 91 LYS HG2 H 1 -0.244 0.014 . . . . . A 91 LYS HG2 . 30161 1 922 . 1 1 91 91 LYS HG3 H 1 1.041 0.004 . . . . . A 91 LYS HG3 . 30161 1 923 . 1 1 91 91 LYS HD2 H 1 1.124 0.009 . . . . . A 91 LYS HD2 . 30161 1 924 . 1 1 91 91 LYS HD3 H 1 1.140 0.000 . . . . . A 91 LYS HD3 . 30161 1 925 . 1 1 91 91 LYS HE2 H 1 2.233 0.001 . . . . . A 91 LYS HE2 . 30161 1 926 . 1 1 91 91 LYS HE3 H 1 2.397 0.000 . . . . . A 91 LYS HE3 . 30161 1 927 . 1 1 91 91 LYS C C 13 178.608 0.000 . . . . . A 91 LYS C . 30161 1 928 . 1 1 91 91 LYS CA C 13 59.963 0.038 . . . . . A 91 LYS CA . 30161 1 929 . 1 1 91 91 LYS CB C 13 32.074 0.048 . . . . . A 91 LYS CB . 30161 1 930 . 1 1 91 91 LYS CG C 13 25.632 0.013 . . . . . A 91 LYS CG . 30161 1 931 . 1 1 91 91 LYS CD C 13 29.921 0.044 . . . . . A 91 LYS CD . 30161 1 932 . 1 1 91 91 LYS CE C 13 41.864 0.007 . . . . . A 91 LYS CE . 30161 1 933 . 1 1 91 91 LYS N N 15 118.890 0.010 . . . . . A 91 LYS N . 30161 1 934 . 1 1 92 92 ALA H H 1 7.525 0.004 . . . . . A 92 ALA H . 30161 1 935 . 1 1 92 92 ALA HA H 1 3.867 0.001 . . . . . A 92 ALA HA . 30161 1 936 . 1 1 92 92 ALA HB1 H 1 1.295 0.003 . . . . . A 92 ALA HB1 . 30161 1 937 . 1 1 92 92 ALA HB2 H 1 1.295 0.003 . . . . . A 92 ALA HB2 . 30161 1 938 . 1 1 92 92 ALA HB3 H 1 1.295 0.003 . . . . . A 92 ALA HB3 . 30161 1 939 . 1 1 92 92 ALA C C 13 179.546 0.000 . . . . . A 92 ALA C . 30161 1 940 . 1 1 92 92 ALA CA C 13 54.864 0.040 . . . . . A 92 ALA CA . 30161 1 941 . 1 1 92 92 ALA CB C 13 17.743 0.033 . . . . . A 92 ALA CB . 30161 1 942 . 1 1 92 92 ALA N N 15 120.465 0.005 . . . . . A 92 ALA N . 30161 1 943 . 1 1 93 93 ALA H H 1 7.415 0.001 . . . . . A 93 ALA H . 30161 1 944 . 1 1 93 93 ALA HA H 1 3.920 0.000 . . . . . A 93 ALA HA . 30161 1 945 . 1 1 93 93 ALA HB1 H 1 1.179 0.001 . . . . . A 93 ALA HB1 . 30161 1 946 . 1 1 93 93 ALA HB2 H 1 1.179 0.001 . . . . . A 93 ALA HB2 . 30161 1 947 . 1 1 93 93 ALA HB3 H 1 1.179 0.001 . . . . . A 93 ALA HB3 . 30161 1 948 . 1 1 93 93 ALA C C 13 180.915 0.000 . . . . . A 93 ALA C . 30161 1 949 . 1 1 93 93 ALA CA C 13 54.536 0.006 . . . . . A 93 ALA CA . 30161 1 950 . 1 1 93 93 ALA CB C 13 17.566 0.009 . . . . . A 93 ALA CB . 30161 1 951 . 1 1 93 93 ALA N N 15 121.500 0.015 . . . . . A 93 ALA N . 30161 1 952 . 1 1 94 94 ALA H H 1 8.735 0.000 . . . . . A 94 ALA H . 30161 1 953 . 1 1 94 94 ALA HA H 1 3.668 0.001 . . . . . A 94 ALA HA . 30161 1 954 . 1 1 94 94 ALA HB1 H 1 0.820 0.000 . . . . . A 94 ALA HB1 . 30161 1 955 . 1 1 94 94 ALA HB2 H 1 0.820 0.000 . . . . . A 94 ALA HB2 . 30161 1 956 . 1 1 94 94 ALA HB3 H 1 0.820 0.000 . . . . . A 94 ALA HB3 . 30161 1 957 . 1 1 94 94 ALA C C 13 179.573 0.000 . . . . . A 94 ALA C . 30161 1 958 . 1 1 94 94 ALA CA C 13 54.645 0.005 . . . . . A 94 ALA CA . 30161 1 959 . 1 1 94 94 ALA CB C 13 16.689 0.017 . . . . . A 94 ALA CB . 30161 1 960 . 1 1 94 94 ALA N N 15 122.446 0.004 . . . . . A 94 ALA N . 30161 1 961 . 1 1 95 95 ARG H H 1 8.078 0.003 . . . . . A 95 ARG H . 30161 1 962 . 1 1 95 95 ARG HA H 1 4.099 0.003 . . . . . A 95 ARG HA . 30161 1 963 . 1 1 95 95 ARG HB2 H 1 1.940 0.004 . . . . . A 95 ARG HB2 . 30161 1 964 . 1 1 95 95 ARG HG2 H 1 1.583 0.001 . . . . . A 95 ARG HG2 . 30161 1 965 . 1 1 95 95 ARG HG3 H 1 1.853 0.000 . . . . . A 95 ARG HG3 . 30161 1 966 . 1 1 95 95 ARG HD2 H 1 3.192 0.000 . . . . . A 95 ARG HD2 . 30161 1 967 . 1 1 95 95 ARG C C 13 180.587 0.000 . . . . . A 95 ARG C . 30161 1 968 . 1 1 95 95 ARG CA C 13 59.369 0.005 . . . . . A 95 ARG CA . 30161 1 969 . 1 1 95 95 ARG CB C 13 29.534 0.023 . . . . . A 95 ARG CB . 30161 1 970 . 1 1 95 95 ARG CG C 13 26.972 0.004 . . . . . A 95 ARG CG . 30161 1 971 . 1 1 95 95 ARG CD C 13 43.193 0.027 . . . . . A 95 ARG CD . 30161 1 972 . 1 1 95 95 ARG N N 15 120.402 0.015 . . . . . A 95 ARG N . 30161 1 973 . 1 1 96 96 ASP H H 1 8.006 0.002 . . . . . A 96 ASP H . 30161 1 974 . 1 1 96 96 ASP HA H 1 4.222 0.003 . . . . . A 96 ASP HA . 30161 1 975 . 1 1 96 96 ASP HB2 H 1 2.569 0.002 . . . . . A 96 ASP HB2 . 30161 1 976 . 1 1 96 96 ASP C C 13 177.661 0.000 . . . . . A 96 ASP C . 30161 1 977 . 1 1 96 96 ASP CA C 13 57.197 0.040 . . . . . A 96 ASP CA . 30161 1 978 . 1 1 96 96 ASP CB C 13 40.073 0.027 . . . . . A 96 ASP CB . 30161 1 979 . 1 1 96 96 ASP N N 15 121.361 0.013 . . . . . A 96 ASP N . 30161 1 980 . 1 1 97 97 ALA H H 1 7.621 0.002 . . . . . A 97 ALA H . 30161 1 981 . 1 1 97 97 ALA HA H 1 4.104 0.001 . . . . . A 97 ALA HA . 30161 1 982 . 1 1 97 97 ALA HB1 H 1 1.380 0.001 . . . . . A 97 ALA HB1 . 30161 1 983 . 1 1 97 97 ALA HB2 H 1 1.380 0.001 . . . . . A 97 ALA HB2 . 30161 1 984 . 1 1 97 97 ALA HB3 H 1 1.380 0.001 . . . . . A 97 ALA HB3 . 30161 1 985 . 1 1 97 97 ALA C C 13 177.076 0.000 . . . . . A 97 ALA C . 30161 1 986 . 1 1 97 97 ALA CA C 13 53.342 0.031 . . . . . A 97 ALA CA . 30161 1 987 . 1 1 97 97 ALA CB C 13 19.328 0.009 . . . . . A 97 ALA CB . 30161 1 988 . 1 1 97 97 ALA N N 15 119.572 0.010 . . . . . A 97 ALA N . 30161 1 989 . 1 1 98 98 GLY H H 1 7.411 0.001 . . . . . A 98 GLY H . 30161 1 990 . 1 1 98 98 GLY HA2 H 1 4.318 0.001 . . . . . A 98 GLY HA2 . 30161 1 991 . 1 1 98 98 GLY HA3 H 1 3.675 0.002 . . . . . A 98 GLY HA3 . 30161 1 992 . 1 1 98 98 GLY C C 13 175.270 0.000 . . . . . A 98 GLY C . 30161 1 993 . 1 1 98 98 GLY CA C 13 44.529 0.015 . . . . . A 98 GLY CA . 30161 1 994 . 1 1 98 98 GLY N N 15 101.006 0.004 . . . . . A 98 GLY N . 30161 1 995 . 1 1 99 99 ALA H H 1 8.426 0.001 . . . . . A 99 ALA H . 30161 1 996 . 1 1 99 99 ALA HA H 1 3.985 0.000 . . . . . A 99 ALA HA . 30161 1 997 . 1 1 99 99 ALA HB1 H 1 1.242 0.000 . . . . . A 99 ALA HB1 . 30161 1 998 . 1 1 99 99 ALA HB2 H 1 1.242 0.000 . . . . . A 99 ALA HB2 . 30161 1 999 . 1 1 99 99 ALA HB3 H 1 1.242 0.000 . . . . . A 99 ALA HB3 . 30161 1 1000 . 1 1 99 99 ALA C C 13 176.938 0.000 . . . . . A 99 ALA C . 30161 1 1001 . 1 1 99 99 ALA CA C 13 52.957 0.035 . . . . . A 99 ALA CA . 30161 1 1002 . 1 1 99 99 ALA CB C 13 18.935 0.023 . . . . . A 99 ALA CB . 30161 1 1003 . 1 1 99 99 ALA N N 15 123.441 0.004 . . . . . A 99 ALA N . 30161 1 1004 . 1 1 100 100 THR H H 1 9.320 0.001 . . . . . A 100 THR H . 30161 1 1005 . 1 1 100 100 THR HA H 1 3.940 0.000 . . . . . A 100 THR HA . 30161 1 1006 . 1 1 100 100 THR HB H 1 3.601 0.002 . . . . . A 100 THR HB . 30161 1 1007 . 1 1 100 100 THR HG21 H 1 1.233 0.000 . . . . . A 100 THR HG21 . 30161 1 1008 . 1 1 100 100 THR HG22 H 1 1.233 0.000 . . . . . A 100 THR HG22 . 30161 1 1009 . 1 1 100 100 THR HG23 H 1 1.233 0.000 . . . . . A 100 THR HG23 . 30161 1 1010 . 1 1 100 100 THR C C 13 174.347 0.000 . . . . . A 100 THR C . 30161 1 1011 . 1 1 100 100 THR CA C 13 64.952 0.027 . . . . . A 100 THR CA . 30161 1 1012 . 1 1 100 100 THR CB C 13 68.852 0.019 . . . . . A 100 THR CB . 30161 1 1013 . 1 1 100 100 THR CG2 C 13 21.679 0.067 . . . . . A 100 THR CG2 . 30161 1 1014 . 1 1 100 100 THR N N 15 120.650 0.013 . . . . . A 100 THR N . 30161 1 1015 . 1 1 101 101 GLY H H 1 7.185 0.002 . . . . . A 101 GLY H . 30161 1 1016 . 1 1 101 101 GLY HA2 H 1 3.473 0.000 . . . . . A 101 GLY HA2 . 30161 1 1017 . 1 1 101 101 GLY HA3 H 1 3.105 0.000 . . . . . A 101 GLY HA3 . 30161 1 1018 . 1 1 101 101 GLY C C 13 170.186 0.000 . . . . . A 101 GLY C . 30161 1 1019 . 1 1 101 101 GLY CA C 13 44.565 0.017 . . . . . A 101 GLY CA . 30161 1 1020 . 1 1 101 101 GLY N N 15 104.233 0.013 . . . . . A 101 GLY N . 30161 1 1021 . 1 1 102 102 TRP H H 1 7.520 0.002 . . . . . A 102 TRP H . 30161 1 1022 . 1 1 102 102 TRP HA H 1 5.857 0.001 . . . . . A 102 TRP HA . 30161 1 1023 . 1 1 102 102 TRP HB2 H 1 3.031 0.003 . . . . . A 102 TRP HB2 . 30161 1 1024 . 1 1 102 102 TRP HB3 H 1 3.278 0.004 . . . . . A 102 TRP HB3 . 30161 1 1025 . 1 1 102 102 TRP HD1 H 1 6.943 0.000 . . . . . A 102 TRP HD1 . 30161 1 1026 . 1 1 102 102 TRP HE1 H 1 10.151 0.000 . . . . . A 102 TRP HE1 . 30161 1 1027 . 1 1 102 102 TRP HE3 H 1 7.064 0.000 . . . . . A 102 TRP HE3 . 30161 1 1028 . 1 1 102 102 TRP HZ2 H 1 7.382 0.000 . . . . . A 102 TRP HZ2 . 30161 1 1029 . 1 1 102 102 TRP HZ3 H 1 6.762 0.000 . . . . . A 102 TRP HZ3 . 30161 1 1030 . 1 1 102 102 TRP HH2 H 1 7.053 0.000 . . . . . A 102 TRP HH2 . 30161 1 1031 . 1 1 102 102 TRP C C 13 174.590 0.000 . . . . . A 102 TRP C . 30161 1 1032 . 1 1 102 102 TRP CA C 13 53.790 0.017 . . . . . A 102 TRP CA . 30161 1 1033 . 1 1 102 102 TRP CB C 13 31.920 0.014 . . . . . A 102 TRP CB . 30161 1 1034 . 1 1 102 102 TRP CD1 C 13 127.026 0.000 . . . . . A 102 TRP CD1 . 30161 1 1035 . 1 1 102 102 TRP CE3 C 13 120.113 0.000 . . . . . A 102 TRP CE3 . 30161 1 1036 . 1 1 102 102 TRP CZ2 C 13 114.600 0.000 . . . . . A 102 TRP CZ2 . 30161 1 1037 . 1 1 102 102 TRP CZ3 C 13 121.758 0.000 . . . . . A 102 TRP CZ3 . 30161 1 1038 . 1 1 102 102 TRP CH2 C 13 124.533 0.000 . . . . . A 102 TRP CH2 . 30161 1 1039 . 1 1 102 102 TRP N N 15 117.097 0.020 . . . . . A 102 TRP N . 30161 1 1040 . 1 1 102 102 TRP NE1 N 15 129.684 0.000 . . . . . A 102 TRP NE1 . 30161 1 1041 . 1 1 103 103 ILE H H 1 8.724 0.003 . . . . . A 103 ILE H . 30161 1 1042 . 1 1 103 103 ILE HA H 1 4.064 0.001 . . . . . A 103 ILE HA . 30161 1 1043 . 1 1 103 103 ILE HB H 1 1.463 0.001 . . . . . A 103 ILE HB . 30161 1 1044 . 1 1 103 103 ILE HG12 H 1 0.807 0.001 . . . . . A 103 ILE HG12 . 30161 1 1045 . 1 1 103 103 ILE HG13 H 1 1.213 0.002 . . . . . A 103 ILE HG13 . 30161 1 1046 . 1 1 103 103 ILE HG21 H 1 0.680 0.001 . . . . . A 103 ILE HG21 . 30161 1 1047 . 1 1 103 103 ILE HG22 H 1 0.680 0.001 . . . . . A 103 ILE HG22 . 30161 1 1048 . 1 1 103 103 ILE HG23 H 1 0.680 0.001 . . . . . A 103 ILE HG23 . 30161 1 1049 . 1 1 103 103 ILE HD11 H 1 0.530 0.001 . . . . . A 103 ILE HD11 . 30161 1 1050 . 1 1 103 103 ILE HD12 H 1 0.530 0.001 . . . . . A 103 ILE HD12 . 30161 1 1051 . 1 1 103 103 ILE HD13 H 1 0.530 0.001 . . . . . A 103 ILE HD13 . 30161 1 1052 . 1 1 103 103 ILE C C 13 174.472 0.000 . . . . . A 103 ILE C . 30161 1 1053 . 1 1 103 103 ILE CA C 13 60.297 0.038 . . . . . A 103 ILE CA . 30161 1 1054 . 1 1 103 103 ILE CB C 13 41.173 0.052 . . . . . A 103 ILE CB . 30161 1 1055 . 1 1 103 103 ILE CG1 C 13 26.992 0.019 . . . . . A 103 ILE CG1 . 30161 1 1056 . 1 1 103 103 ILE CG2 C 13 17.407 0.013 . . . . . A 103 ILE CG2 . 30161 1 1057 . 1 1 103 103 ILE CD1 C 13 14.305 0.004 . . . . . A 103 ILE CD1 . 30161 1 1058 . 1 1 103 103 ILE N N 15 120.017 0.013 . . . . . A 103 ILE N . 30161 1 1059 . 1 1 104 104 GLU H H 1 8.608 0.001 . . . . . A 104 GLU H . 30161 1 1060 . 1 1 104 104 GLU HA H 1 4.618 0.000 . . . . . A 104 GLU HA . 30161 1 1061 . 1 1 104 104 GLU HB2 H 1 1.842 0.025 . . . . . A 104 GLU HB2 . 30161 1 1062 . 1 1 104 104 GLU HG2 H 1 2.140 0.000 . . . . . A 104 GLU HG2 . 30161 1 1063 . 1 1 104 104 GLU C C 13 175.744 0.000 . . . . . A 104 GLU C . 30161 1 1064 . 1 1 104 104 GLU CA C 13 56.062 0.000 . . . . . A 104 GLU CA . 30161 1 1065 . 1 1 104 104 GLU CB C 13 30.563 0.015 . . . . . A 104 GLU CB . 30161 1 1066 . 1 1 104 104 GLU CG C 13 36.957 0.017 . . . . . A 104 GLU CG . 30161 1 1067 . 1 1 104 104 GLU N N 15 127.304 0.005 . . . . . A 104 GLU N . 30161 1 1068 . 1 1 105 105 LYS H H 1 8.213 0.001 . . . . . A 105 LYS H . 30161 1 1069 . 1 1 105 105 LYS HA H 1 4.014 0.000 . . . . . A 105 LYS HA . 30161 1 1070 . 1 1 105 105 LYS HB2 H 1 1.361 0.000 . . . . . A 105 LYS HB2 . 30161 1 1071 . 1 1 105 105 LYS HB3 H 1 1.705 0.002 . . . . . A 105 LYS HB3 . 30161 1 1072 . 1 1 105 105 LYS HG2 H 1 1.101 0.002 . . . . . A 105 LYS HG2 . 30161 1 1073 . 1 1 105 105 LYS HG3 H 1 1.352 0.012 . . . . . A 105 LYS HG3 . 30161 1 1074 . 1 1 105 105 LYS HD2 H 1 1.543 0.000 . . . . . A 105 LYS HD2 . 30161 1 1075 . 1 1 105 105 LYS HE2 H 1 2.602 0.000 . . . . . A 105 LYS HE2 . 30161 1 1076 . 1 1 105 105 LYS HE3 H 1 2.671 0.000 . . . . . A 105 LYS HE3 . 30161 1 1077 . 1 1 105 105 LYS CA C 13 54.553 0.009 . . . . . A 105 LYS CA . 30161 1 1078 . 1 1 105 105 LYS CB C 13 33.080 0.061 . . . . . A 105 LYS CB . 30161 1 1079 . 1 1 105 105 LYS CG C 13 26.437 0.040 . . . . . A 105 LYS CG . 30161 1 1080 . 1 1 105 105 LYS CD C 13 30.139 0.019 . . . . . A 105 LYS CD . 30161 1 1081 . 1 1 105 105 LYS CE C 13 41.748 0.007 . . . . . A 105 LYS CE . 30161 1 1082 . 1 1 105 105 LYS N N 15 122.317 0.011 . . . . . A 105 LYS N . 30161 1 1083 . 1 1 106 106 PRO HA H 1 4.342 0.001 . . . . . A 106 PRO HA . 30161 1 1084 . 1 1 106 106 PRO HB2 H 1 1.913 0.001 . . . . . A 106 PRO HB2 . 30161 1 1085 . 1 1 106 106 PRO HB3 H 1 2.257 0.004 . . . . . A 106 PRO HB3 . 30161 1 1086 . 1 1 106 106 PRO HG2 H 1 1.791 0.006 . . . . . A 106 PRO HG2 . 30161 1 1087 . 1 1 106 106 PRO HG3 H 1 1.829 0.003 . . . . . A 106 PRO HG3 . 30161 1 1088 . 1 1 106 106 PRO HD2 H 1 3.389 0.002 . . . . . A 106 PRO HD2 . 30161 1 1089 . 1 1 106 106 PRO HD3 H 1 3.526 0.000 . . . . . A 106 PRO HD3 . 30161 1 1090 . 1 1 106 106 PRO C C 13 175.915 0.000 . . . . . A 106 PRO C . 30161 1 1091 . 1 1 106 106 PRO CA C 13 61.659 0.002 . . . . . A 106 PRO CA . 30161 1 1092 . 1 1 106 106 PRO CB C 13 34.338 0.021 . . . . . A 106 PRO CB . 30161 1 1093 . 1 1 106 106 PRO CG C 13 24.801 0.010 . . . . . A 106 PRO CG . 30161 1 1094 . 1 1 106 106 PRO CD C 13 50.683 0.031 . . . . . A 106 PRO CD . 30161 1 1095 . 1 1 107 107 ILE H H 1 8.428 0.000 . . . . . A 107 ILE H . 30161 1 1096 . 1 1 107 107 ILE HA H 1 4.043 0.001 . . . . . A 107 ILE HA . 30161 1 1097 . 1 1 107 107 ILE HB H 1 1.660 0.001 . . . . . A 107 ILE HB . 30161 1 1098 . 1 1 107 107 ILE HG12 H 1 1.129 0.001 . . . . . A 107 ILE HG12 . 30161 1 1099 . 1 1 107 107 ILE HG13 H 1 1.307 0.000 . . . . . A 107 ILE HG13 . 30161 1 1100 . 1 1 107 107 ILE HG21 H 1 0.624 0.000 . . . . . A 107 ILE HG21 . 30161 1 1101 . 1 1 107 107 ILE HG22 H 1 0.624 0.000 . . . . . A 107 ILE HG22 . 30161 1 1102 . 1 1 107 107 ILE HG23 H 1 0.624 0.000 . . . . . A 107 ILE HG23 . 30161 1 1103 . 1 1 107 107 ILE HD11 H 1 0.629 0.001 . . . . . A 107 ILE HD11 . 30161 1 1104 . 1 1 107 107 ILE HD12 H 1 0.629 0.001 . . . . . A 107 ILE HD12 . 30161 1 1105 . 1 1 107 107 ILE HD13 H 1 0.629 0.001 . . . . . A 107 ILE HD13 . 30161 1 1106 . 1 1 107 107 ILE C C 13 174.983 0.000 . . . . . A 107 ILE C . 30161 1 1107 . 1 1 107 107 ILE CA C 13 59.740 0.013 . . . . . A 107 ILE CA . 30161 1 1108 . 1 1 107 107 ILE CB C 13 38.626 0.038 . . . . . A 107 ILE CB . 30161 1 1109 . 1 1 107 107 ILE CG1 C 13 27.553 0.011 . . . . . A 107 ILE CG1 . 30161 1 1110 . 1 1 107 107 ILE CG2 C 13 17.612 0.010 . . . . . A 107 ILE CG2 . 30161 1 1111 . 1 1 107 107 ILE CD1 C 13 13.135 0.017 . . . . . A 107 ILE CD1 . 30161 1 1112 . 1 1 107 107 ILE N N 15 120.941 0.005 . . . . . A 107 ILE N . 30161 1 1113 . 1 1 108 108 ASP H H 1 8.480 0.002 . . . . . A 108 ASP H . 30161 1 1114 . 1 1 108 108 ASP HA H 1 5.002 0.000 . . . . . A 108 ASP HA . 30161 1 1115 . 1 1 108 108 ASP HB2 H 1 2.528 0.000 . . . . . A 108 ASP HB2 . 30161 1 1116 . 1 1 108 108 ASP HB3 H 1 2.698 0.000 . . . . . A 108 ASP HB3 . 30161 1 1117 . 1 1 108 108 ASP CA C 13 50.469 0.000 . . . . . A 108 ASP CA . 30161 1 1118 . 1 1 108 108 ASP CB C 13 42.267 0.003 . . . . . A 108 ASP CB . 30161 1 1119 . 1 1 108 108 ASP N N 15 128.684 0.007 . . . . . A 108 ASP N . 30161 1 1120 . 1 1 109 109 PRO HA H 1 3.851 0.001 . . . . . A 109 PRO HA . 30161 1 1121 . 1 1 109 109 PRO HB2 H 1 1.974 0.000 . . . . . A 109 PRO HB2 . 30161 1 1122 . 1 1 109 109 PRO HB3 H 1 2.271 0.001 . . . . . A 109 PRO HB3 . 30161 1 1123 . 1 1 109 109 PRO HG2 H 1 2.111 0.000 . . . . . A 109 PRO HG2 . 30161 1 1124 . 1 1 109 109 PRO HG3 H 1 1.774 0.001 . . . . . A 109 PRO HG3 . 30161 1 1125 . 1 1 109 109 PRO HD2 H 1 3.823 0.003 . . . . . A 109 PRO HD2 . 30161 1 1126 . 1 1 109 109 PRO HD3 H 1 3.899 0.003 . . . . . A 109 PRO HD3 . 30161 1 1127 . 1 1 109 109 PRO C C 13 177.648 0.000 . . . . . A 109 PRO C . 30161 1 1128 . 1 1 109 109 PRO CA C 13 65.616 0.002 . . . . . A 109 PRO CA . 30161 1 1129 . 1 1 109 109 PRO CB C 13 32.464 0.021 . . . . . A 109 PRO CB . 30161 1 1130 . 1 1 109 109 PRO CG C 13 27.538 0.000 . . . . . A 109 PRO CG . 30161 1 1131 . 1 1 109 109 PRO CD C 13 51.062 0.030 . . . . . A 109 PRO CD . 30161 1 1132 . 1 1 110 110 GLY H H 1 8.055 0.001 . . . . . A 110 GLY H . 30161 1 1133 . 1 1 110 110 GLY HA2 H 1 3.722 0.012 . . . . . A 110 GLY HA2 . 30161 1 1134 . 1 1 110 110 GLY HA3 H 1 3.768 0.000 . . . . . A 110 GLY HA3 . 30161 1 1135 . 1 1 110 110 GLY C C 13 176.846 0.000 . . . . . A 110 GLY C . 30161 1 1136 . 1 1 110 110 GLY CA C 13 46.890 0.010 . . . . . A 110 GLY CA . 30161 1 1137 . 1 1 110 110 GLY N N 15 105.077 0.005 . . . . . A 110 GLY N . 30161 1 1138 . 1 1 111 111 VAL H H 1 7.537 0.001 . . . . . A 111 VAL H . 30161 1 1139 . 1 1 111 111 VAL HA H 1 3.629 0.000 . . . . . A 111 VAL HA . 30161 1 1140 . 1 1 111 111 VAL HB H 1 2.123 0.000 . . . . . A 111 VAL HB . 30161 1 1141 . 1 1 111 111 VAL HG11 H 1 0.879 0.000 . . . . . A 111 VAL HG11 . 30161 1 1142 . 1 1 111 111 VAL HG12 H 1 0.879 0.000 . . . . . A 111 VAL HG12 . 30161 1 1143 . 1 1 111 111 VAL HG13 H 1 0.879 0.000 . . . . . A 111 VAL HG13 . 30161 1 1144 . 1 1 111 111 VAL HG21 H 1 0.940 0.001 . . . . . A 111 VAL HG21 . 30161 1 1145 . 1 1 111 111 VAL HG22 H 1 0.940 0.001 . . . . . A 111 VAL HG22 . 30161 1 1146 . 1 1 111 111 VAL HG23 H 1 0.940 0.001 . . . . . A 111 VAL HG23 . 30161 1 1147 . 1 1 111 111 VAL C C 13 178.507 0.000 . . . . . A 111 VAL C . 30161 1 1148 . 1 1 111 111 VAL CA C 13 65.421 0.027 . . . . . A 111 VAL CA . 30161 1 1149 . 1 1 111 111 VAL CB C 13 31.964 0.013 . . . . . A 111 VAL CB . 30161 1 1150 . 1 1 111 111 VAL CG1 C 13 20.764 0.010 . . . . . A 111 VAL CG1 . 30161 1 1151 . 1 1 111 111 VAL CG2 C 13 22.474 0.030 . . . . . A 111 VAL CG2 . 30161 1 1152 . 1 1 111 111 VAL N N 15 123.957 0.005 . . . . . A 111 VAL N . 30161 1 1153 . 1 1 112 112 LEU H H 1 7.839 0.001 . . . . . A 112 LEU H . 30161 1 1154 . 1 1 112 112 LEU HA H 1 3.849 0.001 . . . . . A 112 LEU HA . 30161 1 1155 . 1 1 112 112 LEU HB2 H 1 1.269 0.004 . . . . . A 112 LEU HB2 . 30161 1 1156 . 1 1 112 112 LEU HB3 H 1 1.899 0.000 . . . . . A 112 LEU HB3 . 30161 1 1157 . 1 1 112 112 LEU HD11 H 1 0.658 0.000 . . . . . A 112 LEU HD11 . 30161 1 1158 . 1 1 112 112 LEU HD12 H 1 0.658 0.000 . . . . . A 112 LEU HD12 . 30161 1 1159 . 1 1 112 112 LEU HD13 H 1 0.658 0.000 . . . . . A 112 LEU HD13 . 30161 1 1160 . 1 1 112 112 LEU HD21 H 1 0.633 0.000 . . . . . A 112 LEU HD21 . 30161 1 1161 . 1 1 112 112 LEU HD22 H 1 0.633 0.000 . . . . . A 112 LEU HD22 . 30161 1 1162 . 1 1 112 112 LEU HD23 H 1 0.633 0.000 . . . . . A 112 LEU HD23 . 30161 1 1163 . 1 1 112 112 LEU C C 13 177.479 0.000 . . . . . A 112 LEU C . 30161 1 1164 . 1 1 112 112 LEU CA C 13 58.251 0.019 . . . . . A 112 LEU CA . 30161 1 1165 . 1 1 112 112 LEU CB C 13 41.371 0.023 . . . . . A 112 LEU CB . 30161 1 1166 . 1 1 112 112 LEU CD1 C 13 22.935 0.000 . . . . . A 112 LEU CD1 . 30161 1 1167 . 1 1 112 112 LEU CD2 C 13 26.178 0.000 . . . . . A 112 LEU CD2 . 30161 1 1168 . 1 1 112 112 LEU N N 15 120.198 0.010 . . . . . A 112 LEU N . 30161 1 1169 . 1 1 113 113 VAL H H 1 7.736 0.001 . . . . . A 113 VAL H . 30161 1 1170 . 1 1 113 113 VAL HA H 1 3.268 0.002 . . . . . A 113 VAL HA . 30161 1 1171 . 1 1 113 113 VAL HB H 1 2.044 0.000 . . . . . A 113 VAL HB . 30161 1 1172 . 1 1 113 113 VAL HG11 H 1 0.927 0.000 . . . . . A 113 VAL HG11 . 30161 1 1173 . 1 1 113 113 VAL HG12 H 1 0.927 0.000 . . . . . A 113 VAL HG12 . 30161 1 1174 . 1 1 113 113 VAL HG13 H 1 0.927 0.000 . . . . . A 113 VAL HG13 . 30161 1 1175 . 1 1 113 113 VAL HG21 H 1 0.936 0.000 . . . . . A 113 VAL HG21 . 30161 1 1176 . 1 1 113 113 VAL HG22 H 1 0.936 0.000 . . . . . A 113 VAL HG22 . 30161 1 1177 . 1 1 113 113 VAL HG23 H 1 0.936 0.000 . . . . . A 113 VAL HG23 . 30161 1 1178 . 1 1 113 113 VAL C C 13 178.588 0.000 . . . . . A 113 VAL C . 30161 1 1179 . 1 1 113 113 VAL CA C 13 67.371 0.043 . . . . . A 113 VAL CA . 30161 1 1180 . 1 1 113 113 VAL CB C 13 31.639 0.033 . . . . . A 113 VAL CB . 30161 1 1181 . 1 1 113 113 VAL CG1 C 13 21.555 0.031 . . . . . A 113 VAL CG1 . 30161 1 1182 . 1 1 113 113 VAL CG2 C 13 23.701 0.028 . . . . . A 113 VAL CG2 . 30161 1 1183 . 1 1 113 113 VAL N N 15 116.320 0.007 . . . . . A 113 VAL N . 30161 1 1184 . 1 1 114 114 GLU H H 1 7.535 0.001 . . . . . A 114 GLU H . 30161 1 1185 . 1 1 114 114 GLU HA H 1 3.991 0.001 . . . . . A 114 GLU HA . 30161 1 1186 . 1 1 114 114 GLU HB2 H 1 1.981 0.000 . . . . . A 114 GLU HB2 . 30161 1 1187 . 1 1 114 114 GLU HG2 H 1 2.143 0.000 . . . . . A 114 GLU HG2 . 30161 1 1188 . 1 1 114 114 GLU HG3 H 1 2.270 0.000 . . . . . A 114 GLU HG3 . 30161 1 1189 . 1 1 114 114 GLU C C 13 178.779 0.000 . . . . . A 114 GLU C . 30161 1 1190 . 1 1 114 114 GLU CA C 13 59.185 0.041 . . . . . A 114 GLU CA . 30161 1 1191 . 1 1 114 114 GLU CB C 13 29.247 0.028 . . . . . A 114 GLU CB . 30161 1 1192 . 1 1 114 114 GLU CG C 13 36.017 0.010 . . . . . A 114 GLU CG . 30161 1 1193 . 1 1 114 114 GLU N N 15 120.489 0.012 . . . . . A 114 GLU N . 30161 1 1194 . 1 1 115 115 LEU H H 1 8.264 0.002 . . . . . A 115 LEU H . 30161 1 1195 . 1 1 115 115 LEU HA H 1 3.997 0.000 . . . . . A 115 LEU HA . 30161 1 1196 . 1 1 115 115 LEU HB2 H 1 1.637 0.001 . . . . . A 115 LEU HB2 . 30161 1 1197 . 1 1 115 115 LEU HG H 1 1.452 0.000 . . . . . A 115 LEU HG . 30161 1 1198 . 1 1 115 115 LEU HD11 H 1 0.700 0.000 . . . . . A 115 LEU HD11 . 30161 1 1199 . 1 1 115 115 LEU HD12 H 1 0.700 0.000 . . . . . A 115 LEU HD12 . 30161 1 1200 . 1 1 115 115 LEU HD13 H 1 0.700 0.000 . . . . . A 115 LEU HD13 . 30161 1 1201 . 1 1 115 115 LEU HD21 H 1 0.647 0.000 . . . . . A 115 LEU HD21 . 30161 1 1202 . 1 1 115 115 LEU HD22 H 1 0.647 0.000 . . . . . A 115 LEU HD22 . 30161 1 1203 . 1 1 115 115 LEU HD23 H 1 0.647 0.000 . . . . . A 115 LEU HD23 . 30161 1 1204 . 1 1 115 115 LEU C C 13 180.012 0.000 . . . . . A 115 LEU C . 30161 1 1205 . 1 1 115 115 LEU CA C 13 58.082 0.006 . . . . . A 115 LEU CA . 30161 1 1206 . 1 1 115 115 LEU CB C 13 41.619 0.030 . . . . . A 115 LEU CB . 30161 1 1207 . 1 1 115 115 LEU CG C 13 26.865 0.000 . . . . . A 115 LEU CG . 30161 1 1208 . 1 1 115 115 LEU CD1 C 13 24.363 0.000 . . . . . A 115 LEU CD1 . 30161 1 1209 . 1 1 115 115 LEU CD2 C 13 25.224 0.000 . . . . . A 115 LEU CD2 . 30161 1 1210 . 1 1 115 115 LEU N N 15 121.886 0.096 . . . . . A 115 LEU N . 30161 1 1211 . 1 1 116 116 VAL H H 1 8.017 0.002 . . . . . A 116 VAL H . 30161 1 1212 . 1 1 116 116 VAL HA H 1 3.171 0.001 . . . . . A 116 VAL HA . 30161 1 1213 . 1 1 116 116 VAL HB H 1 1.694 0.000 . . . . . A 116 VAL HB . 30161 1 1214 . 1 1 116 116 VAL HG11 H 1 0.334 0.003 . . . . . A 116 VAL HG11 . 30161 1 1215 . 1 1 116 116 VAL HG12 H 1 0.334 0.003 . . . . . A 116 VAL HG12 . 30161 1 1216 . 1 1 116 116 VAL HG13 H 1 0.334 0.003 . . . . . A 116 VAL HG13 . 30161 1 1217 . 1 1 116 116 VAL HG21 H 1 0.584 0.001 . . . . . A 116 VAL HG21 . 30161 1 1218 . 1 1 116 116 VAL HG22 H 1 0.584 0.001 . . . . . A 116 VAL HG22 . 30161 1 1219 . 1 1 116 116 VAL HG23 H 1 0.584 0.001 . . . . . A 116 VAL HG23 . 30161 1 1220 . 1 1 116 116 VAL C C 13 177.964 0.000 . . . . . A 116 VAL C . 30161 1 1221 . 1 1 116 116 VAL CA C 13 67.077 0.007 . . . . . A 116 VAL CA . 30161 1 1222 . 1 1 116 116 VAL CB C 13 30.912 0.008 . . . . . A 116 VAL CB . 30161 1 1223 . 1 1 116 116 VAL CG1 C 13 21.255 0.021 . . . . . A 116 VAL CG1 . 30161 1 1224 . 1 1 116 116 VAL CG2 C 13 22.328 0.026 . . . . . A 116 VAL CG2 . 30161 1 1225 . 1 1 116 116 VAL N N 15 118.896 0.004 . . . . . A 116 VAL N . 30161 1 1226 . 1 1 117 117 ALA H H 1 7.808 0.002 . . . . . A 117 ALA H . 30161 1 1227 . 1 1 117 117 ALA HA H 1 4.048 0.000 . . . . . A 117 ALA HA . 30161 1 1228 . 1 1 117 117 ALA HB1 H 1 1.500 0.001 . . . . . A 117 ALA HB1 . 30161 1 1229 . 1 1 117 117 ALA HB2 H 1 1.500 0.001 . . . . . A 117 ALA HB2 . 30161 1 1230 . 1 1 117 117 ALA HB3 H 1 1.500 0.001 . . . . . A 117 ALA HB3 . 30161 1 1231 . 1 1 117 117 ALA C C 13 180.797 0.000 . . . . . A 117 ALA C . 30161 1 1232 . 1 1 117 117 ALA CA C 13 55.255 0.026 . . . . . A 117 ALA CA . 30161 1 1233 . 1 1 117 117 ALA CB C 13 17.818 0.010 . . . . . A 117 ALA CB . 30161 1 1234 . 1 1 117 117 ALA N N 15 121.471 0.004 . . . . . A 117 ALA N . 30161 1 1235 . 1 1 118 118 THR H H 1 7.805 0.001 . . . . . A 118 THR H . 30161 1 1236 . 1 1 118 118 THR HA H 1 4.067 0.000 . . . . . A 118 THR HA . 30161 1 1237 . 1 1 118 118 THR HB H 1 4.257 0.000 . . . . . A 118 THR HB . 30161 1 1238 . 1 1 118 118 THR HG21 H 1 1.233 0.000 . . . . . A 118 THR HG21 . 30161 1 1239 . 1 1 118 118 THR HG22 H 1 1.233 0.000 . . . . . A 118 THR HG22 . 30161 1 1240 . 1 1 118 118 THR HG23 H 1 1.233 0.000 . . . . . A 118 THR HG23 . 30161 1 1241 . 1 1 118 118 THR C C 13 176.354 0.000 . . . . . A 118 THR C . 30161 1 1242 . 1 1 118 118 THR CA C 13 64.797 0.029 . . . . . A 118 THR CA . 30161 1 1243 . 1 1 118 118 THR CB C 13 69.418 0.025 . . . . . A 118 THR CB . 30161 1 1244 . 1 1 118 118 THR CG2 C 13 21.541 0.003 . . . . . A 118 THR CG2 . 30161 1 1245 . 1 1 118 118 THR N N 15 111.417 0.011 . . . . . A 118 THR N . 30161 1 1246 . 1 1 119 119 LEU H H 1 7.508 0.001 . . . . . A 119 LEU H . 30161 1 1247 . 1 1 119 119 LEU HA H 1 4.087 0.000 . . . . . A 119 LEU HA . 30161 1 1248 . 1 1 119 119 LEU HB2 H 1 1.336 0.002 . . . . . A 119 LEU HB2 . 30161 1 1249 . 1 1 119 119 LEU HB3 H 1 1.766 0.000 . . . . . A 119 LEU HB3 . 30161 1 1250 . 1 1 119 119 LEU HG H 1 1.741 0.000 . . . . . A 119 LEU HG . 30161 1 1251 . 1 1 119 119 LEU HD11 H 1 0.674 0.001 . . . . . A 119 LEU HD11 . 30161 1 1252 . 1 1 119 119 LEU HD12 H 1 0.674 0.001 . . . . . A 119 LEU HD12 . 30161 1 1253 . 1 1 119 119 LEU HD13 H 1 0.674 0.001 . . . . . A 119 LEU HD13 . 30161 1 1254 . 1 1 119 119 LEU HD21 H 1 0.641 0.000 . . . . . A 119 LEU HD21 . 30161 1 1255 . 1 1 119 119 LEU HD22 H 1 0.641 0.000 . . . . . A 119 LEU HD22 . 30161 1 1256 . 1 1 119 119 LEU HD23 H 1 0.641 0.000 . . . . . A 119 LEU HD23 . 30161 1 1257 . 1 1 119 119 LEU C C 13 177.628 0.000 . . . . . A 119 LEU C . 30161 1 1258 . 1 1 119 119 LEU CA C 13 56.305 0.003 . . . . . A 119 LEU CA . 30161 1 1259 . 1 1 119 119 LEU CB C 13 42.097 0.014 . . . . . A 119 LEU CB . 30161 1 1260 . 1 1 119 119 LEU CG C 13 26.393 0.000 . . . . . A 119 LEU CG . 30161 1 1261 . 1 1 119 119 LEU CD1 C 13 22.510 0.007 . . . . . A 119 LEU CD1 . 30161 1 1262 . 1 1 119 119 LEU CD2 C 13 26.704 0.000 . . . . . A 119 LEU CD2 . 30161 1 1263 . 1 1 119 119 LEU N N 15 121.105 0.010 . . . . . A 119 LEU N . 30161 1 1264 . 1 1 120 120 SER H H 1 7.547 0.001 . . . . . A 120 SER H . 30161 1 1265 . 1 1 120 120 SER HA H 1 4.392 0.001 . . . . . A 120 SER HA . 30161 1 1266 . 1 1 120 120 SER HB2 H 1 3.923 0.000 . . . . . A 120 SER HB2 . 30161 1 1267 . 1 1 120 120 SER C C 13 173.872 0.000 . . . . . A 120 SER C . 30161 1 1268 . 1 1 120 120 SER CA C 13 58.525 0.042 . . . . . A 120 SER CA . 30161 1 1269 . 1 1 120 120 SER CB C 13 64.322 0.028 . . . . . A 120 SER CB . 30161 1 1270 . 1 1 120 120 SER N N 15 112.975 0.020 . . . . . A 120 SER N . 30161 1 1271 . 1 1 121 121 GLU H H 1 7.612 0.001 . . . . . A 121 GLU H . 30161 1 1272 . 1 1 121 121 GLU HA H 1 4.531 0.000 . . . . . A 121 GLU HA . 30161 1 1273 . 1 1 121 121 GLU HB2 H 1 1.852 0.000 . . . . . A 121 GLU HB2 . 30161 1 1274 . 1 1 121 121 GLU HB3 H 1 1.935 0.000 . . . . . A 121 GLU HB3 . 30161 1 1275 . 1 1 121 121 GLU HG2 H 1 2.217 0.001 . . . . . A 121 GLU HG2 . 30161 1 1276 . 1 1 121 121 GLU CA C 13 54.095 0.000 . . . . . A 121 GLU CA . 30161 1 1277 . 1 1 121 121 GLU CB C 13 29.913 0.004 . . . . . A 121 GLU CB . 30161 1 1278 . 1 1 121 121 GLU CG C 13 35.679 0.002 . . . . . A 121 GLU CG . 30161 1 1279 . 1 1 121 121 GLU N N 15 122.120 0.007 . . . . . A 121 GLU N . 30161 1 1280 . 1 1 122 122 PRO HA H 1 4.316 0.001 . . . . . A 122 PRO HA . 30161 1 1281 . 1 1 122 122 PRO HB2 H 1 1.799 0.001 . . . . . A 122 PRO HB2 . 30161 1 1282 . 1 1 122 122 PRO HB3 H 1 2.185 0.003 . . . . . A 122 PRO HB3 . 30161 1 1283 . 1 1 122 122 PRO HG2 H 1 1.910 0.000 . . . . . A 122 PRO HG2 . 30161 1 1284 . 1 1 122 122 PRO HD2 H 1 3.687 0.004 . . . . . A 122 PRO HD2 . 30161 1 1285 . 1 1 122 122 PRO HD3 H 1 3.571 0.005 . . . . . A 122 PRO HD3 . 30161 1 1286 . 1 1 122 122 PRO C C 13 176.808 0.000 . . . . . A 122 PRO C . 30161 1 1287 . 1 1 122 122 PRO CA C 13 62.971 0.009 . . . . . A 122 PRO CA . 30161 1 1288 . 1 1 122 122 PRO CB C 13 32.010 0.032 . . . . . A 122 PRO CB . 30161 1 1289 . 1 1 122 122 PRO CG C 13 27.277 0.029 . . . . . A 122 PRO CG . 30161 1 1290 . 1 1 122 122 PRO CD C 13 50.547 0.010 . . . . . A 122 PRO CD . 30161 1 1291 . 1 1 123 123 ALA H H 1 8.273 0.001 . . . . . A 123 ALA H . 30161 1 1292 . 1 1 123 123 ALA HA H 1 4.178 0.000 . . . . . A 123 ALA HA . 30161 1 1293 . 1 1 123 123 ALA HB1 H 1 1.284 0.001 . . . . . A 123 ALA HB1 . 30161 1 1294 . 1 1 123 123 ALA HB2 H 1 1.284 0.001 . . . . . A 123 ALA HB2 . 30161 1 1295 . 1 1 123 123 ALA HB3 H 1 1.284 0.001 . . . . . A 123 ALA HB3 . 30161 1 1296 . 1 1 123 123 ALA C C 13 177.462 0.000 . . . . . A 123 ALA C . 30161 1 1297 . 1 1 123 123 ALA CA C 13 52.113 0.015 . . . . . A 123 ALA CA . 30161 1 1298 . 1 1 123 123 ALA CB C 13 19.209 0.021 . . . . . A 123 ALA CB . 30161 1 1299 . 1 1 123 123 ALA N N 15 124.487 0.006 . . . . . A 123 ALA N . 30161 1 1300 . 1 1 124 124 ALA H H 1 8.183 0.000 . . . . . A 124 ALA H . 30161 1 1301 . 1 1 124 124 ALA HA H 1 4.215 0.001 . . . . . A 124 ALA HA . 30161 1 1302 . 1 1 124 124 ALA HB1 H 1 1.271 0.000 . . . . . A 124 ALA HB1 . 30161 1 1303 . 1 1 124 124 ALA HB2 H 1 1.271 0.000 . . . . . A 124 ALA HB2 . 30161 1 1304 . 1 1 124 124 ALA HB3 H 1 1.271 0.000 . . . . . A 124 ALA HB3 . 30161 1 1305 . 1 1 124 124 ALA C C 13 176.657 0.000 . . . . . A 124 ALA C . 30161 1 1306 . 1 1 124 124 ALA CA C 13 52.254 0.000 . . . . . A 124 ALA CA . 30161 1 1307 . 1 1 124 124 ALA CB C 13 19.307 0.000 . . . . . A 124 ALA CB . 30161 1 1308 . 1 1 124 124 ALA N N 15 124.306 0.006 . . . . . A 124 ALA N . 30161 1 1309 . 1 1 125 125 ASN H H 1 7.826 0.001 . . . . . A 125 ASN H . 30161 1 1310 . 1 1 125 125 ASN HA H 1 4.338 0.003 . . . . . A 125 ASN HA . 30161 1 1311 . 1 1 125 125 ASN HB2 H 1 2.561 0.001 . . . . . A 125 ASN HB2 . 30161 1 1312 . 1 1 125 125 ASN HB3 H 1 2.632 0.001 . . . . . A 125 ASN HB3 . 30161 1 1313 . 1 1 125 125 ASN CA C 13 54.573 0.024 . . . . . A 125 ASN CA . 30161 1 1314 . 1 1 125 125 ASN CB C 13 40.409 0.010 . . . . . A 125 ASN CB . 30161 1 1315 . 1 1 125 125 ASN N N 15 123.482 0.002 . . . . . A 125 ASN N . 30161 1 stop_ save_