data_10129 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10129 _Entry.Title ; Solution structure of the first Fn3 domain of Sidekick-2 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-02 _Entry.Accession_date 2007-04-04 _Entry.Last_release_date 2008-09-02 _Entry.Original_release_date 2008-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version production.3.0.2.8 _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.Entry_ID 1 X. Qin . . . 10129 2 F. Hayashi . . . 10129 3 S. Yokoyama . . . 10129 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 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10129 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10129 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 514 10129 '15N chemical shifts' 115 10129 '1H chemical shifts' 809 10129 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 . . 2008-09-02 2007-04-02 original author . 10129 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WF5 'BMRB Entry Tracking System' 10129 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10129 _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 the first Fn3 domain of Sidekick-2 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _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.Entry_ID _Citation_author.Citation_ID 1 X. Qin . . . 10129 1 2 F. Hayashi . . . 10129 1 3 S. Yokoyama . . . 10129 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10129 _Assembly.ID 1 _Assembly.Name 'sidekick 2 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'sidekick 2 protein' 1 $entity_1 A . yes native no no . . . 10129 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WF5 . . 'solution NMR' . . . 10129 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10129 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FNIII domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGRSAHLRVRQLPHA PEHPVATLSTVERRAINLTW TKPFDGNSPLIRYILEMSEN NAPWTVLLASVDPKATSVTV KGLVPARSYQFRLCAVNDVG KGQFSKDTERVSLPESGPSS G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 1WF5 . "Solution Structure Of The First Fn3 Domain Of Sidekick-2 Protein" . . . . . 100.00 121 100.00 100.00 6.05e-82 . . . . 10129 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FNIII domain' . 10129 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 10129 1 2 . SER . 10129 1 3 . SER . 10129 1 4 . GLY . 10129 1 5 . SER . 10129 1 6 . SER . 10129 1 7 . GLY . 10129 1 8 . ARG . 10129 1 9 . SER . 10129 1 10 . ALA . 10129 1 11 . HIS . 10129 1 12 . LEU . 10129 1 13 . ARG . 10129 1 14 . VAL . 10129 1 15 . ARG . 10129 1 16 . GLN . 10129 1 17 . LEU . 10129 1 18 . PRO . 10129 1 19 . HIS . 10129 1 20 . ALA . 10129 1 21 . PRO . 10129 1 22 . GLU . 10129 1 23 . HIS . 10129 1 24 . PRO . 10129 1 25 . VAL . 10129 1 26 . ALA . 10129 1 27 . THR . 10129 1 28 . LEU . 10129 1 29 . SER . 10129 1 30 . THR . 10129 1 31 . VAL . 10129 1 32 . GLU . 10129 1 33 . ARG . 10129 1 34 . ARG . 10129 1 35 . ALA . 10129 1 36 . ILE . 10129 1 37 . ASN . 10129 1 38 . LEU . 10129 1 39 . THR . 10129 1 40 . TRP . 10129 1 41 . THR . 10129 1 42 . LYS . 10129 1 43 . PRO . 10129 1 44 . PHE . 10129 1 45 . ASP . 10129 1 46 . GLY . 10129 1 47 . ASN . 10129 1 48 . SER . 10129 1 49 . PRO . 10129 1 50 . LEU . 10129 1 51 . ILE . 10129 1 52 . ARG . 10129 1 53 . TYR . 10129 1 54 . ILE . 10129 1 55 . LEU . 10129 1 56 . GLU . 10129 1 57 . MET . 10129 1 58 . SER . 10129 1 59 . GLU . 10129 1 60 . ASN . 10129 1 61 . ASN . 10129 1 62 . ALA . 10129 1 63 . PRO . 10129 1 64 . TRP . 10129 1 65 . THR . 10129 1 66 . VAL . 10129 1 67 . LEU . 10129 1 68 . LEU . 10129 1 69 . ALA . 10129 1 70 . SER . 10129 1 71 . VAL . 10129 1 72 . ASP . 10129 1 73 . PRO . 10129 1 74 . LYS . 10129 1 75 . ALA . 10129 1 76 . THR . 10129 1 77 . SER . 10129 1 78 . VAL . 10129 1 79 . THR . 10129 1 80 . VAL . 10129 1 81 . LYS . 10129 1 82 . GLY . 10129 1 83 . LEU . 10129 1 84 . VAL . 10129 1 85 . PRO . 10129 1 86 . ALA . 10129 1 87 . ARG . 10129 1 88 . SER . 10129 1 89 . TYR . 10129 1 90 . GLN . 10129 1 91 . PHE . 10129 1 92 . ARG . 10129 1 93 . LEU . 10129 1 94 . CYS . 10129 1 95 . ALA . 10129 1 96 . VAL . 10129 1 97 . ASN . 10129 1 98 . ASP . 10129 1 99 . VAL . 10129 1 100 . GLY . 10129 1 101 . LYS . 10129 1 102 . GLY . 10129 1 103 . GLN . 10129 1 104 . PHE . 10129 1 105 . SER . 10129 1 106 . LYS . 10129 1 107 . ASP . 10129 1 108 . THR . 10129 1 109 . GLU . 10129 1 110 . ARG . 10129 1 111 . VAL . 10129 1 112 . SER . 10129 1 113 . LEU . 10129 1 114 . PRO . 10129 1 115 . GLU . 10129 1 116 . SER . 10129 1 117 . GLY . 10129 1 118 . PRO . 10129 1 119 . SER . 10129 1 120 . SER . 10129 1 121 . GLY . 10129 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10129 1 . SER 2 2 10129 1 . SER 3 3 10129 1 . GLY 4 4 10129 1 . SER 5 5 10129 1 . SER 6 6 10129 1 . GLY 7 7 10129 1 . ARG 8 8 10129 1 . SER 9 9 10129 1 . ALA 10 10 10129 1 . HIS 11 11 10129 1 . LEU 12 12 10129 1 . ARG 13 13 10129 1 . VAL 14 14 10129 1 . ARG 15 15 10129 1 . GLN 16 16 10129 1 . LEU 17 17 10129 1 . PRO 18 18 10129 1 . HIS 19 19 10129 1 . ALA 20 20 10129 1 . PRO 21 21 10129 1 . GLU 22 22 10129 1 . HIS 23 23 10129 1 . PRO 24 24 10129 1 . VAL 25 25 10129 1 . ALA 26 26 10129 1 . THR 27 27 10129 1 . LEU 28 28 10129 1 . SER 29 29 10129 1 . THR 30 30 10129 1 . VAL 31 31 10129 1 . GLU 32 32 10129 1 . ARG 33 33 10129 1 . ARG 34 34 10129 1 . ALA 35 35 10129 1 . ILE 36 36 10129 1 . ASN 37 37 10129 1 . LEU 38 38 10129 1 . THR 39 39 10129 1 . TRP 40 40 10129 1 . THR 41 41 10129 1 . LYS 42 42 10129 1 . PRO 43 43 10129 1 . PHE 44 44 10129 1 . ASP 45 45 10129 1 . GLY 46 46 10129 1 . ASN 47 47 10129 1 . SER 48 48 10129 1 . PRO 49 49 10129 1 . LEU 50 50 10129 1 . ILE 51 51 10129 1 . ARG 52 52 10129 1 . TYR 53 53 10129 1 . ILE 54 54 10129 1 . LEU 55 55 10129 1 . GLU 56 56 10129 1 . MET 57 57 10129 1 . SER 58 58 10129 1 . GLU 59 59 10129 1 . ASN 60 60 10129 1 . ASN 61 61 10129 1 . ALA 62 62 10129 1 . PRO 63 63 10129 1 . TRP 64 64 10129 1 . THR 65 65 10129 1 . VAL 66 66 10129 1 . LEU 67 67 10129 1 . LEU 68 68 10129 1 . ALA 69 69 10129 1 . SER 70 70 10129 1 . VAL 71 71 10129 1 . ASP 72 72 10129 1 . PRO 73 73 10129 1 . LYS 74 74 10129 1 . ALA 75 75 10129 1 . THR 76 76 10129 1 . SER 77 77 10129 1 . VAL 78 78 10129 1 . THR 79 79 10129 1 . VAL 80 80 10129 1 . LYS 81 81 10129 1 . GLY 82 82 10129 1 . LEU 83 83 10129 1 . VAL 84 84 10129 1 . PRO 85 85 10129 1 . ALA 86 86 10129 1 . ARG 87 87 10129 1 . SER 88 88 10129 1 . TYR 89 89 10129 1 . GLN 90 90 10129 1 . PHE 91 91 10129 1 . ARG 92 92 10129 1 . LEU 93 93 10129 1 . CYS 94 94 10129 1 . ALA 95 95 10129 1 . VAL 96 96 10129 1 . ASN 97 97 10129 1 . ASP 98 98 10129 1 . VAL 99 99 10129 1 . GLY 100 100 10129 1 . LYS 101 101 10129 1 . GLY 102 102 10129 1 . GLN 103 103 10129 1 . PHE 104 104 10129 1 . SER 105 105 10129 1 . LYS 106 106 10129 1 . ASP 107 107 10129 1 . THR 108 108 10129 1 . GLU 109 109 10129 1 . ARG 110 110 10129 1 . VAL 111 111 10129 1 . SER 112 112 10129 1 . LEU 113 113 10129 1 . PRO 114 114 10129 1 . GLU 115 115 10129 1 . SER 116 116 10129 1 . GLY 117 117 10129 1 . PRO 118 118 10129 1 . SER 119 119 10129 1 . SER 120 120 10129 1 . GLY 121 121 10129 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 10129 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10129 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 10129 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040223-40 . . . . . . 10129 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10129 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'FNIII domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.29 . . mM . . . . 10129 1 2 PiNa . . . . . . . 20 . . mM . . . . 10129 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10129 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10129 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10129 1 6 H2O . . . . . . solvent 90 . . % . . . . 10129 1 7 D2O . . . . . . solvent 10 . . % . . . . 10129 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10129 _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' 120 0.1 mM 10129 1 pH 7.0 0.05 pH 10129 1 pressure 1 0.001 atm 10129 1 temperature 298 0.1 K 10129 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10129 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 10129 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10129 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10129 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10129 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10129 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10129 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10129 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10129 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10129 _Software.ID 4 _Software.Name Kujira _Software.Version 0.854 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10129 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10129 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10129 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10129 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10129 5 'structure solution' 10129 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10129 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10129 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 10129 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 10129 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10129 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10129 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10129 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10129 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10129 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10129 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10129 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10129 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10129 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 GLY HA2 H 1 3.867 0.030 . 1 . . . . 1 GLY HA2 . 10129 1 2 . 1 1 1 1 GLY HA3 H 1 3.867 0.030 . 1 . . . . 1 GLY HA3 . 10129 1 3 . 1 1 1 1 GLY CA C 13 43.815 0.300 . 1 . . . . 1 GLY CA . 10129 1 4 . 1 1 4 4 GLY HA2 H 1 3.777 0.030 . 1 . . . . 4 GLY HA2 . 10129 1 5 . 1 1 4 4 GLY HA3 H 1 3.777 0.030 . 1 . . . . 4 GLY HA3 . 10129 1 6 . 1 1 4 4 GLY CA C 13 44.334 0.300 . 1 . . . . 4 GLY CA . 10129 1 7 . 1 1 7 7 GLY HA2 H 1 4.026 0.030 . 2 . . . . 7 GLY HA2 . 10129 1 8 . 1 1 7 7 GLY HA3 H 1 3.983 0.030 . 2 . . . . 7 GLY HA3 . 10129 1 9 . 1 1 7 7 GLY C C 13 174.354 0.300 . 1 . . . . 7 GLY C . 10129 1 10 . 1 1 7 7 GLY CA C 13 45.458 0.300 . 1 . . . . 7 GLY CA . 10129 1 11 . 1 1 8 8 ARG H H 1 8.183 0.030 . 1 . . . . 8 ARG H . 10129 1 12 . 1 1 8 8 ARG HA H 1 4.355 0.030 . 1 . . . . 8 ARG HA . 10129 1 13 . 1 1 8 8 ARG HB2 H 1 1.865 0.030 . 2 . . . . 8 ARG HB2 . 10129 1 14 . 1 1 8 8 ARG HB3 H 1 1.757 0.030 . 2 . . . . 8 ARG HB3 . 10129 1 15 . 1 1 8 8 ARG HG2 H 1 1.626 0.030 . 1 . . . . 8 ARG HG2 . 10129 1 16 . 1 1 8 8 ARG HG3 H 1 1.626 0.030 . 1 . . . . 8 ARG HG3 . 10129 1 17 . 1 1 8 8 ARG HD2 H 1 3.514 0.030 . 1 . . . . 8 ARG HD2 . 10129 1 18 . 1 1 8 8 ARG HD3 H 1 3.514 0.030 . 1 . . . . 8 ARG HD3 . 10129 1 19 . 1 1 8 8 ARG C C 13 176.620 0.300 . 1 . . . . 8 ARG C . 10129 1 20 . 1 1 8 8 ARG CA C 13 56.352 0.300 . 1 . . . . 8 ARG CA . 10129 1 21 . 1 1 8 8 ARG CB C 13 30.854 0.300 . 1 . . . . 8 ARG CB . 10129 1 22 . 1 1 8 8 ARG CG C 13 27.032 0.300 . 1 . . . . 8 ARG CG . 10129 1 23 . 1 1 8 8 ARG CD C 13 43.311 0.300 . 1 . . . . 8 ARG CD . 10129 1 24 . 1 1 8 8 ARG N N 15 120.588 0.300 . 1 . . . . 8 ARG N . 10129 1 25 . 1 1 9 9 SER H H 1 8.334 0.030 . 1 . . . . 9 SER H . 10129 1 26 . 1 1 9 9 SER HA H 1 4.406 0.030 . 1 . . . . 9 SER HA . 10129 1 27 . 1 1 9 9 SER HB2 H 1 3.843 0.030 . 1 . . . . 9 SER HB2 . 10129 1 28 . 1 1 9 9 SER HB3 H 1 3.843 0.030 . 1 . . . . 9 SER HB3 . 10129 1 29 . 1 1 9 9 SER C C 13 174.721 0.300 . 1 . . . . 9 SER C . 10129 1 30 . 1 1 9 9 SER CA C 13 58.522 0.300 . 1 . . . . 9 SER CA . 10129 1 31 . 1 1 9 9 SER CB C 13 63.680 0.300 . 1 . . . . 9 SER CB . 10129 1 32 . 1 1 9 9 SER N N 15 116.607 0.300 . 1 . . . . 9 SER N . 10129 1 33 . 1 1 10 10 ALA H H 1 8.325 0.030 . 1 . . . . 10 ALA H . 10129 1 34 . 1 1 10 10 ALA HA H 1 4.206 0.030 . 1 . . . . 10 ALA HA . 10129 1 35 . 1 1 10 10 ALA HB1 H 1 1.338 0.030 . 1 . . . . 10 ALA HB . 10129 1 36 . 1 1 10 10 ALA HB2 H 1 1.338 0.030 . 1 . . . . 10 ALA HB . 10129 1 37 . 1 1 10 10 ALA HB3 H 1 1.338 0.030 . 1 . . . . 10 ALA HB . 10129 1 38 . 1 1 10 10 ALA C C 13 177.850 0.300 . 1 . . . . 10 ALA C . 10129 1 39 . 1 1 10 10 ALA CA C 13 53.284 0.300 . 1 . . . . 10 ALA CA . 10129 1 40 . 1 1 10 10 ALA CB C 13 18.985 0.300 . 1 . . . . 10 ALA CB . 10129 1 41 . 1 1 10 10 ALA N N 15 125.992 0.300 . 1 . . . . 10 ALA N . 10129 1 42 . 1 1 11 11 HIS H H 1 8.167 0.030 . 1 . . . . 11 HIS H . 10129 1 43 . 1 1 11 11 HIS HA H 1 4.557 0.030 . 1 . . . . 11 HIS HA . 10129 1 44 . 1 1 11 11 HIS HB2 H 1 3.070 0.030 . 1 . . . . 11 HIS HB2 . 10129 1 45 . 1 1 11 11 HIS HB3 H 1 3.070 0.030 . 1 . . . . 11 HIS HB3 . 10129 1 46 . 1 1 11 11 HIS HD2 H 1 6.972 0.030 . 1 . . . . 11 HIS HD2 . 10129 1 47 . 1 1 11 11 HIS C C 13 175.517 0.300 . 1 . . . . 11 HIS C . 10129 1 48 . 1 1 11 11 HIS CA C 13 56.570 0.300 . 1 . . . . 11 HIS CA . 10129 1 49 . 1 1 11 11 HIS CB C 13 30.597 0.300 . 1 . . . . 11 HIS CB . 10129 1 50 . 1 1 11 11 HIS CD2 C 13 119.369 0.300 . 1 . . . . 11 HIS CD2 . 10129 1 51 . 1 1 11 11 HIS N N 15 117.546 0.300 . 1 . . . . 11 HIS N . 10129 1 52 . 1 1 12 12 LEU H H 1 7.858 0.030 . 1 . . . . 12 LEU H . 10129 1 53 . 1 1 12 12 LEU HA H 1 4.278 0.030 . 1 . . . . 12 LEU HA . 10129 1 54 . 1 1 12 12 LEU HB2 H 1 1.596 0.030 . 2 . . . . 12 LEU HB2 . 10129 1 55 . 1 1 12 12 LEU HB3 H 1 1.518 0.030 . 2 . . . . 12 LEU HB3 . 10129 1 56 . 1 1 12 12 LEU HG H 1 1.343 0.030 . 1 . . . . 12 LEU HG . 10129 1 57 . 1 1 12 12 LEU HD11 H 1 0.874 0.030 . 1 . . . . 12 LEU HD1 . 10129 1 58 . 1 1 12 12 LEU HD12 H 1 0.874 0.030 . 1 . . . . 12 LEU HD1 . 10129 1 59 . 1 1 12 12 LEU HD13 H 1 0.874 0.030 . 1 . . . . 12 LEU HD1 . 10129 1 60 . 1 1 12 12 LEU HD21 H 1 0.796 0.030 . 1 . . . . 12 LEU HD2 . 10129 1 61 . 1 1 12 12 LEU HD22 H 1 0.796 0.030 . 1 . . . . 12 LEU HD2 . 10129 1 62 . 1 1 12 12 LEU HD23 H 1 0.796 0.030 . 1 . . . . 12 LEU HD2 . 10129 1 63 . 1 1 12 12 LEU C C 13 177.088 0.300 . 1 . . . . 12 LEU C . 10129 1 64 . 1 1 12 12 LEU CA C 13 55.171 0.300 . 1 . . . . 12 LEU CA . 10129 1 65 . 1 1 12 12 LEU CB C 13 42.322 0.300 . 1 . . . . 12 LEU CB . 10129 1 66 . 1 1 12 12 LEU CG C 13 26.844 0.300 . 1 . . . . 12 LEU CG . 10129 1 67 . 1 1 12 12 LEU CD1 C 13 24.990 0.300 . 2 . . . . 12 LEU CD1 . 10129 1 68 . 1 1 12 12 LEU CD2 C 13 23.315 0.300 . 2 . . . . 12 LEU CD2 . 10129 1 69 . 1 1 12 12 LEU N N 15 122.209 0.300 . 1 . . . . 12 LEU N . 10129 1 70 . 1 1 13 13 ARG H H 1 8.225 0.030 . 1 . . . . 13 ARG H . 10129 1 71 . 1 1 13 13 ARG HA H 1 4.329 0.030 . 1 . . . . 13 ARG HA . 10129 1 72 . 1 1 13 13 ARG HB2 H 1 1.792 0.030 . 2 . . . . 13 ARG HB2 . 10129 1 73 . 1 1 13 13 ARG HB3 H 1 1.746 0.030 . 2 . . . . 13 ARG HB3 . 10129 1 74 . 1 1 13 13 ARG HG2 H 1 1.639 0.030 . 2 . . . . 13 ARG HG2 . 10129 1 75 . 1 1 13 13 ARG HG3 H 1 1.558 0.030 . 2 . . . . 13 ARG HG3 . 10129 1 76 . 1 1 13 13 ARG HD2 H 1 3.185 0.030 . 1 . . . . 13 ARG HD2 . 10129 1 77 . 1 1 13 13 ARG HD3 H 1 3.185 0.030 . 1 . . . . 13 ARG HD3 . 10129 1 78 . 1 1 13 13 ARG C C 13 175.794 0.300 . 1 . . . . 13 ARG C . 10129 1 79 . 1 1 13 13 ARG CA C 13 55.919 0.300 . 1 . . . . 13 ARG CA . 10129 1 80 . 1 1 13 13 ARG CB C 13 30.696 0.300 . 1 . . . . 13 ARG CB . 10129 1 81 . 1 1 13 13 ARG CG C 13 27.399 0.300 . 1 . . . . 13 ARG CG . 10129 1 82 . 1 1 13 13 ARG CD C 13 43.448 0.300 . 1 . . . . 13 ARG CD . 10129 1 83 . 1 1 13 13 ARG N N 15 121.507 0.300 . 1 . . . . 13 ARG N . 10129 1 84 . 1 1 14 14 VAL H H 1 8.003 0.030 . 1 . . . . 14 VAL H . 10129 1 85 . 1 1 14 14 VAL HA H 1 4.065 0.030 . 1 . . . . 14 VAL HA . 10129 1 86 . 1 1 14 14 VAL HB H 1 2.020 0.030 . 1 . . . . 14 VAL HB . 10129 1 87 . 1 1 14 14 VAL HG11 H 1 0.942 0.030 . 1 . . . . 14 VAL HG1 . 10129 1 88 . 1 1 14 14 VAL HG12 H 1 0.942 0.030 . 1 . . . . 14 VAL HG1 . 10129 1 89 . 1 1 14 14 VAL HG13 H 1 0.942 0.030 . 1 . . . . 14 VAL HG1 . 10129 1 90 . 1 1 14 14 VAL HG21 H 1 0.929 0.030 . 1 . . . . 14 VAL HG2 . 10129 1 91 . 1 1 14 14 VAL HG22 H 1 0.929 0.030 . 1 . . . . 14 VAL HG2 . 10129 1 92 . 1 1 14 14 VAL HG23 H 1 0.929 0.030 . 1 . . . . 14 VAL HG2 . 10129 1 93 . 1 1 14 14 VAL C C 13 176.206 0.300 . 1 . . . . 14 VAL C . 10129 1 94 . 1 1 14 14 VAL CA C 13 62.301 0.300 . 1 . . . . 14 VAL CA . 10129 1 95 . 1 1 14 14 VAL CB C 13 32.930 0.300 . 1 . . . . 14 VAL CB . 10129 1 96 . 1 1 14 14 VAL CG1 C 13 20.878 0.300 . 2 . . . . 14 VAL CG1 . 10129 1 97 . 1 1 14 14 VAL CG2 C 13 21.151 0.300 . 2 . . . . 14 VAL CG2 . 10129 1 98 . 1 1 14 14 VAL N N 15 121.552 0.300 . 1 . . . . 14 VAL N . 10129 1 99 . 1 1 15 15 ARG H H 1 8.450 0.030 . 1 . . . . 15 ARG H . 10129 1 100 . 1 1 15 15 ARG HA H 1 4.602 0.030 . 1 . . . . 15 ARG HA . 10129 1 101 . 1 1 15 15 ARG HB2 H 1 1.700 0.030 . 2 . . . . 15 ARG HB2 . 10129 1 102 . 1 1 15 15 ARG HB3 H 1 1.553 0.030 . 2 . . . . 15 ARG HB3 . 10129 1 103 . 1 1 15 15 ARG HG2 H 1 1.650 0.030 . 2 . . . . 15 ARG HG2 . 10129 1 104 . 1 1 15 15 ARG HG3 H 1 1.543 0.030 . 2 . . . . 15 ARG HG3 . 10129 1 105 . 1 1 15 15 ARG HD2 H 1 3.199 0.030 . 2 . . . . 15 ARG HD2 . 10129 1 106 . 1 1 15 15 ARG HD3 H 1 3.145 0.030 . 2 . . . . 15 ARG HD3 . 10129 1 107 . 1 1 15 15 ARG C C 13 175.603 0.300 . 1 . . . . 15 ARG C . 10129 1 108 . 1 1 15 15 ARG CA C 13 56.412 0.300 . 1 . . . . 15 ARG CA . 10129 1 109 . 1 1 15 15 ARG CB C 13 30.826 0.300 . 1 . . . . 15 ARG CB . 10129 1 110 . 1 1 15 15 ARG CG C 13 27.763 0.300 . 1 . . . . 15 ARG CG . 10129 1 111 . 1 1 15 15 ARG CD C 13 43.754 0.300 . 1 . . . . 15 ARG CD . 10129 1 112 . 1 1 15 15 ARG N N 15 126.811 0.300 . 1 . . . . 15 ARG N . 10129 1 113 . 1 1 16 16 GLN H H 1 9.416 0.030 . 1 . . . . 16 GLN H . 10129 1 114 . 1 1 16 16 GLN HA H 1 4.739 0.030 . 1 . . . . 16 GLN HA . 10129 1 115 . 1 1 16 16 GLN HB2 H 1 2.360 0.030 . 2 . . . . 16 GLN HB2 . 10129 1 116 . 1 1 16 16 GLN HB3 H 1 2.272 0.030 . 2 . . . . 16 GLN HB3 . 10129 1 117 . 1 1 16 16 GLN HG2 H 1 2.214 0.030 . 2 . . . . 16 GLN HG2 . 10129 1 118 . 1 1 16 16 GLN HG3 H 1 2.087 0.030 . 2 . . . . 16 GLN HG3 . 10129 1 119 . 1 1 16 16 GLN HE21 H 1 7.622 0.030 . 2 . . . . 16 GLN HE21 . 10129 1 120 . 1 1 16 16 GLN HE22 H 1 7.085 0.030 . 2 . . . . 16 GLN HE22 . 10129 1 121 . 1 1 16 16 GLN C C 13 173.349 0.300 . 1 . . . . 16 GLN C . 10129 1 122 . 1 1 16 16 GLN CA C 13 53.914 0.300 . 1 . . . . 16 GLN CA . 10129 1 123 . 1 1 16 16 GLN CB C 13 33.807 0.300 . 1 . . . . 16 GLN CB . 10129 1 124 . 1 1 16 16 GLN CG C 13 33.829 0.300 . 1 . . . . 16 GLN CG . 10129 1 125 . 1 1 16 16 GLN N N 15 122.885 0.300 . 1 . . . . 16 GLN N . 10129 1 126 . 1 1 16 16 GLN NE2 N 15 112.012 0.300 . 1 . . . . 16 GLN NE2 . 10129 1 127 . 1 1 17 17 LEU H H 1 7.993 0.030 . 1 . . . . 17 LEU H . 10129 1 128 . 1 1 17 17 LEU HA H 1 4.149 0.030 . 1 . . . . 17 LEU HA . 10129 1 129 . 1 1 17 17 LEU HB2 H 1 1.619 0.030 . 2 . . . . 17 LEU HB2 . 10129 1 130 . 1 1 17 17 LEU HB3 H 1 1.156 0.030 . 2 . . . . 17 LEU HB3 . 10129 1 131 . 1 1 17 17 LEU HG H 1 1.670 0.030 . 1 . . . . 17 LEU HG . 10129 1 132 . 1 1 17 17 LEU HD11 H 1 0.934 0.030 . 1 . . . . 17 LEU HD1 . 10129 1 133 . 1 1 17 17 LEU HD12 H 1 0.934 0.030 . 1 . . . . 17 LEU HD1 . 10129 1 134 . 1 1 17 17 LEU HD13 H 1 0.934 0.030 . 1 . . . . 17 LEU HD1 . 10129 1 135 . 1 1 17 17 LEU HD21 H 1 0.581 0.030 . 1 . . . . 17 LEU HD2 . 10129 1 136 . 1 1 17 17 LEU HD22 H 1 0.581 0.030 . 1 . . . . 17 LEU HD2 . 10129 1 137 . 1 1 17 17 LEU HD23 H 1 0.581 0.030 . 1 . . . . 17 LEU HD2 . 10129 1 138 . 1 1 17 17 LEU C C 13 174.339 0.300 . 1 . . . . 17 LEU C . 10129 1 139 . 1 1 17 17 LEU CA C 13 53.489 0.300 . 1 . . . . 17 LEU CA . 10129 1 140 . 1 1 17 17 LEU CB C 13 40.770 0.300 . 1 . . . . 17 LEU CB . 10129 1 141 . 1 1 17 17 LEU CG C 13 26.732 0.300 . 1 . . . . 17 LEU CG . 10129 1 142 . 1 1 17 17 LEU CD1 C 13 25.469 0.300 . 2 . . . . 17 LEU CD1 . 10129 1 143 . 1 1 17 17 LEU CD2 C 13 21.904 0.300 . 2 . . . . 17 LEU CD2 . 10129 1 144 . 1 1 17 17 LEU N N 15 118.813 0.300 . 1 . . . . 17 LEU N . 10129 1 145 . 1 1 18 18 PRO HA H 1 4.065 0.030 . 1 . . . . 18 PRO HA . 10129 1 146 . 1 1 18 18 PRO HB2 H 1 1.833 0.030 . 2 . . . . 18 PRO HB2 . 10129 1 147 . 1 1 18 18 PRO HB3 H 1 1.859 0.030 . 2 . . . . 18 PRO HB3 . 10129 1 148 . 1 1 18 18 PRO HG2 H 1 1.643 0.030 . 2 . . . . 18 PRO HG2 . 10129 1 149 . 1 1 18 18 PRO HG3 H 1 1.440 0.030 . 2 . . . . 18 PRO HG3 . 10129 1 150 . 1 1 18 18 PRO HD2 H 1 3.660 0.030 . 2 . . . . 18 PRO HD2 . 10129 1 151 . 1 1 18 18 PRO HD3 H 1 3.063 0.030 . 2 . . . . 18 PRO HD3 . 10129 1 152 . 1 1 18 18 PRO C C 13 176.455 0.300 . 1 . . . . 18 PRO C . 10129 1 153 . 1 1 18 18 PRO CA C 13 62.154 0.300 . 1 . . . . 18 PRO CA . 10129 1 154 . 1 1 18 18 PRO CB C 13 32.500 0.300 . 1 . . . . 18 PRO CB . 10129 1 155 . 1 1 18 18 PRO CG C 13 27.080 0.300 . 1 . . . . 18 PRO CG . 10129 1 156 . 1 1 18 18 PRO CD C 13 49.200 0.300 . 1 . . . . 18 PRO CD . 10129 1 157 . 1 1 19 19 HIS H H 1 8.118 0.030 . 1 . . . . 19 HIS H . 10129 1 158 . 1 1 19 19 HIS HA H 1 4.730 0.030 . 1 . . . . 19 HIS HA . 10129 1 159 . 1 1 19 19 HIS HB2 H 1 3.578 0.030 . 2 . . . . 19 HIS HB2 . 10129 1 160 . 1 1 19 19 HIS HB3 H 1 3.332 0.030 . 2 . . . . 19 HIS HB3 . 10129 1 161 . 1 1 19 19 HIS HD2 H 1 7.059 0.030 . 1 . . . . 19 HIS HD2 . 10129 1 162 . 1 1 19 19 HIS HE1 H 1 7.823 0.030 . 1 . . . . 19 HIS HE1 . 10129 1 163 . 1 1 19 19 HIS C C 13 174.994 0.300 . 1 . . . . 19 HIS C . 10129 1 164 . 1 1 19 19 HIS CA C 13 54.588 0.300 . 1 . . . . 19 HIS CA . 10129 1 165 . 1 1 19 19 HIS CB C 13 32.563 0.300 . 1 . . . . 19 HIS CB . 10129 1 166 . 1 1 19 19 HIS CD2 C 13 117.665 0.300 . 1 . . . . 19 HIS CD2 . 10129 1 167 . 1 1 19 19 HIS CE1 C 13 138.431 0.300 . 1 . . . . 19 HIS CE1 . 10129 1 168 . 1 1 19 19 HIS N N 15 118.290 0.300 . 1 . . . . 19 HIS N . 10129 1 169 . 1 1 20 20 ALA H H 1 8.467 0.030 . 1 . . . . 20 ALA H . 10129 1 170 . 1 1 20 20 ALA HA H 1 4.660 0.030 . 1 . . . . 20 ALA HA . 10129 1 171 . 1 1 20 20 ALA HB1 H 1 1.052 0.030 . 1 . . . . 20 ALA HB . 10129 1 172 . 1 1 20 20 ALA HB2 H 1 1.052 0.030 . 1 . . . . 20 ALA HB . 10129 1 173 . 1 1 20 20 ALA HB3 H 1 1.052 0.030 . 1 . . . . 20 ALA HB . 10129 1 174 . 1 1 20 20 ALA C C 13 176.616 0.300 . 1 . . . . 20 ALA C . 10129 1 175 . 1 1 20 20 ALA CA C 13 50.428 0.300 . 1 . . . . 20 ALA CA . 10129 1 176 . 1 1 20 20 ALA CB C 13 18.685 0.300 . 1 . . . . 20 ALA CB . 10129 1 177 . 1 1 20 20 ALA N N 15 122.682 0.300 . 1 . . . . 20 ALA N . 10129 1 178 . 1 1 21 21 PRO HA H 1 4.237 0.030 . 1 . . . . 21 PRO HA . 10129 1 179 . 1 1 21 21 PRO HB2 H 1 2.184 0.030 . 2 . . . . 21 PRO HB2 . 10129 1 180 . 1 1 21 21 PRO HB3 H 1 1.478 0.030 . 2 . . . . 21 PRO HB3 . 10129 1 181 . 1 1 21 21 PRO HG2 H 1 1.717 0.030 . 2 . . . . 21 PRO HG2 . 10129 1 182 . 1 1 21 21 PRO HG3 H 1 1.669 0.030 . 2 . . . . 21 PRO HG3 . 10129 1 183 . 1 1 21 21 PRO HD2 H 1 4.437 0.030 . 2 . . . . 21 PRO HD2 . 10129 1 184 . 1 1 21 21 PRO HD3 H 1 3.700 0.030 . 2 . . . . 21 PRO HD3 . 10129 1 185 . 1 1 21 21 PRO C C 13 174.553 0.300 . 1 . . . . 21 PRO C . 10129 1 186 . 1 1 21 21 PRO CA C 13 63.653 0.300 . 1 . . . . 21 PRO CA . 10129 1 187 . 1 1 21 21 PRO CB C 13 31.838 0.300 . 1 . . . . 21 PRO CB . 10129 1 188 . 1 1 21 21 PRO CG C 13 28.601 0.300 . 1 . . . . 21 PRO CG . 10129 1 189 . 1 1 21 21 PRO CD C 13 50.175 0.300 . 1 . . . . 21 PRO CD . 10129 1 190 . 1 1 22 22 GLU H H 1 7.838 0.030 . 1 . . . . 22 GLU H . 10129 1 191 . 1 1 22 22 GLU HA H 1 4.410 0.030 . 1 . . . . 22 GLU HA . 10129 1 192 . 1 1 22 22 GLU HB2 H 1 1.781 0.030 . 1 . . . . 22 GLU HB2 . 10129 1 193 . 1 1 22 22 GLU HB3 H 1 1.781 0.030 . 1 . . . . 22 GLU HB3 . 10129 1 194 . 1 1 22 22 GLU HG2 H 1 2.393 0.030 . 2 . . . . 22 GLU HG2 . 10129 1 195 . 1 1 22 22 GLU HG3 H 1 2.231 0.030 . 2 . . . . 22 GLU HG3 . 10129 1 196 . 1 1 22 22 GLU C C 13 174.681 0.300 . 1 . . . . 22 GLU C . 10129 1 197 . 1 1 22 22 GLU CA C 13 55.645 0.300 . 1 . . . . 22 GLU CA . 10129 1 198 . 1 1 22 22 GLU CB C 13 33.072 0.300 . 1 . . . . 22 GLU CB . 10129 1 199 . 1 1 22 22 GLU CG C 13 36.666 0.300 . 1 . . . . 22 GLU CG . 10129 1 200 . 1 1 22 22 GLU N N 15 121.399 0.300 . 1 . . . . 22 GLU N . 10129 1 201 . 1 1 23 23 HIS H H 1 8.928 0.030 . 1 . . . . 23 HIS H . 10129 1 202 . 1 1 23 23 HIS HA H 1 4.380 0.030 . 1 . . . . 23 HIS HA . 10129 1 203 . 1 1 23 23 HIS HB2 H 1 3.342 0.030 . 2 . . . . 23 HIS HB2 . 10129 1 204 . 1 1 23 23 HIS HB3 H 1 3.131 0.030 . 2 . . . . 23 HIS HB3 . 10129 1 205 . 1 1 23 23 HIS HD2 H 1 7.147 0.030 . 1 . . . . 23 HIS HD2 . 10129 1 206 . 1 1 23 23 HIS HE1 H 1 8.149 0.030 . 1 . . . . 23 HIS HE1 . 10129 1 207 . 1 1 23 23 HIS C C 13 170.726 0.300 . 1 . . . . 23 HIS C . 10129 1 208 . 1 1 23 23 HIS CA C 13 55.751 0.300 . 1 . . . . 23 HIS CA . 10129 1 209 . 1 1 23 23 HIS CB C 13 29.376 0.300 . 1 . . . . 23 HIS CB . 10129 1 210 . 1 1 23 23 HIS CD2 C 13 119.569 0.300 . 1 . . . . 23 HIS CD2 . 10129 1 211 . 1 1 23 23 HIS CE1 C 13 137.113 0.300 . 1 . . . . 23 HIS CE1 . 10129 1 212 . 1 1 23 23 HIS N N 15 116.105 0.300 . 1 . . . . 23 HIS N . 10129 1 213 . 1 1 24 24 PRO HA H 1 5.600 0.030 . 1 . . . . 24 PRO HA . 10129 1 214 . 1 1 24 24 PRO HB2 H 1 1.759 0.030 . 2 . . . . 24 PRO HB2 . 10129 1 215 . 1 1 24 24 PRO HB3 H 1 1.712 0.030 . 2 . . . . 24 PRO HB3 . 10129 1 216 . 1 1 24 24 PRO HG2 H 1 2.189 0.030 . 2 . . . . 24 PRO HG2 . 10129 1 217 . 1 1 24 24 PRO HG3 H 1 2.126 0.030 . 2 . . . . 24 PRO HG3 . 10129 1 218 . 1 1 24 24 PRO HD2 H 1 3.764 0.030 . 2 . . . . 24 PRO HD2 . 10129 1 219 . 1 1 24 24 PRO HD3 H 1 3.389 0.030 . 2 . . . . 24 PRO HD3 . 10129 1 220 . 1 1 24 24 PRO C C 13 177.605 0.300 . 1 . . . . 24 PRO C . 10129 1 221 . 1 1 24 24 PRO CA C 13 62.619 0.300 . 1 . . . . 24 PRO CA . 10129 1 222 . 1 1 24 24 PRO CB C 13 31.016 0.300 . 1 . . . . 24 PRO CB . 10129 1 223 . 1 1 24 24 PRO CG C 13 28.086 0.300 . 1 . . . . 24 PRO CG . 10129 1 224 . 1 1 24 24 PRO CD C 13 50.432 0.300 . 1 . . . . 24 PRO CD . 10129 1 225 . 1 1 25 25 VAL H H 1 9.205 0.030 . 1 . . . . 25 VAL H . 10129 1 226 . 1 1 25 25 VAL HA H 1 4.267 0.030 . 1 . . . . 25 VAL HA . 10129 1 227 . 1 1 25 25 VAL HB H 1 1.927 0.030 . 1 . . . . 25 VAL HB . 10129 1 228 . 1 1 25 25 VAL HG11 H 1 0.904 0.030 . 1 . . . . 25 VAL HG1 . 10129 1 229 . 1 1 25 25 VAL HG12 H 1 0.904 0.030 . 1 . . . . 25 VAL HG1 . 10129 1 230 . 1 1 25 25 VAL HG13 H 1 0.904 0.030 . 1 . . . . 25 VAL HG1 . 10129 1 231 . 1 1 25 25 VAL HG21 H 1 0.845 0.030 . 1 . . . . 25 VAL HG2 . 10129 1 232 . 1 1 25 25 VAL HG22 H 1 0.845 0.030 . 1 . . . . 25 VAL HG2 . 10129 1 233 . 1 1 25 25 VAL HG23 H 1 0.845 0.030 . 1 . . . . 25 VAL HG2 . 10129 1 234 . 1 1 25 25 VAL C C 13 174.190 0.300 . 1 . . . . 25 VAL C . 10129 1 235 . 1 1 25 25 VAL CA C 13 62.447 0.300 . 1 . . . . 25 VAL CA . 10129 1 236 . 1 1 25 25 VAL CB C 13 36.024 0.300 . 1 . . . . 25 VAL CB . 10129 1 237 . 1 1 25 25 VAL CG1 C 13 21.640 0.300 . 2 . . . . 25 VAL CG1 . 10129 1 238 . 1 1 25 25 VAL CG2 C 13 21.635 0.300 . 2 . . . . 25 VAL CG2 . 10129 1 239 . 1 1 25 25 VAL N N 15 124.613 0.300 . 1 . . . . 25 VAL N . 10129 1 240 . 1 1 26 26 ALA H H 1 8.599 0.030 . 1 . . . . 26 ALA H . 10129 1 241 . 1 1 26 26 ALA HA H 1 5.573 0.030 . 1 . . . . 26 ALA HA . 10129 1 242 . 1 1 26 26 ALA HB1 H 1 1.485 0.030 . 1 . . . . 26 ALA HB . 10129 1 243 . 1 1 26 26 ALA HB2 H 1 1.485 0.030 . 1 . . . . 26 ALA HB . 10129 1 244 . 1 1 26 26 ALA HB3 H 1 1.485 0.030 . 1 . . . . 26 ALA HB . 10129 1 245 . 1 1 26 26 ALA C C 13 176.098 0.300 . 1 . . . . 26 ALA C . 10129 1 246 . 1 1 26 26 ALA CA C 13 50.048 0.300 . 1 . . . . 26 ALA CA . 10129 1 247 . 1 1 26 26 ALA CB C 13 22.493 0.300 . 1 . . . . 26 ALA CB . 10129 1 248 . 1 1 26 26 ALA N N 15 129.788 0.300 . 1 . . . . 26 ALA N . 10129 1 249 . 1 1 27 27 THR H H 1 9.043 0.030 . 1 . . . . 27 THR H . 10129 1 250 . 1 1 27 27 THR HA H 1 4.660 0.030 . 1 . . . . 27 THR HA . 10129 1 251 . 1 1 27 27 THR HB H 1 4.067 0.030 . 1 . . . . 27 THR HB . 10129 1 252 . 1 1 27 27 THR HG21 H 1 1.256 0.030 . 1 . . . . 27 THR HG2 . 10129 1 253 . 1 1 27 27 THR HG22 H 1 1.256 0.030 . 1 . . . . 27 THR HG2 . 10129 1 254 . 1 1 27 27 THR HG23 H 1 1.256 0.030 . 1 . . . . 27 THR HG2 . 10129 1 255 . 1 1 27 27 THR C C 13 173.623 0.300 . 1 . . . . 27 THR C . 10129 1 256 . 1 1 27 27 THR CA C 13 59.930 0.300 . 1 . . . . 27 THR CA . 10129 1 257 . 1 1 27 27 THR CB C 13 72.118 0.300 . 1 . . . . 27 THR CB . 10129 1 258 . 1 1 27 27 THR CG2 C 13 22.188 0.300 . 1 . . . . 27 THR CG2 . 10129 1 259 . 1 1 27 27 THR N N 15 114.437 0.300 . 1 . . . . 27 THR N . 10129 1 260 . 1 1 28 28 LEU H H 1 9.008 0.030 . 1 . . . . 28 LEU H . 10129 1 261 . 1 1 28 28 LEU HA H 1 4.261 0.030 . 1 . . . . 28 LEU HA . 10129 1 262 . 1 1 28 28 LEU HB2 H 1 1.658 0.030 . 1 . . . . 28 LEU HB2 . 10129 1 263 . 1 1 28 28 LEU HB3 H 1 1.658 0.030 . 1 . . . . 28 LEU HB3 . 10129 1 264 . 1 1 28 28 LEU HG H 1 1.803 0.030 . 1 . . . . 28 LEU HG . 10129 1 265 . 1 1 28 28 LEU HD11 H 1 1.082 0.030 . 1 . . . . 28 LEU HD1 . 10129 1 266 . 1 1 28 28 LEU HD12 H 1 1.082 0.030 . 1 . . . . 28 LEU HD1 . 10129 1 267 . 1 1 28 28 LEU HD13 H 1 1.082 0.030 . 1 . . . . 28 LEU HD1 . 10129 1 268 . 1 1 28 28 LEU HD21 H 1 0.983 0.030 . 1 . . . . 28 LEU HD2 . 10129 1 269 . 1 1 28 28 LEU HD22 H 1 0.983 0.030 . 1 . . . . 28 LEU HD2 . 10129 1 270 . 1 1 28 28 LEU HD23 H 1 0.983 0.030 . 1 . . . . 28 LEU HD2 . 10129 1 271 . 1 1 28 28 LEU C C 13 177.516 0.300 . 1 . . . . 28 LEU C . 10129 1 272 . 1 1 28 28 LEU CA C 13 56.175 0.300 . 1 . . . . 28 LEU CA . 10129 1 273 . 1 1 28 28 LEU CB C 13 41.949 0.300 . 1 . . . . 28 LEU CB . 10129 1 274 . 1 1 28 28 LEU CG C 13 27.069 0.300 . 1 . . . . 28 LEU CG . 10129 1 275 . 1 1 28 28 LEU CD1 C 13 25.086 0.300 . 2 . . . . 28 LEU CD1 . 10129 1 276 . 1 1 28 28 LEU CD2 C 13 24.638 0.300 . 2 . . . . 28 LEU CD2 . 10129 1 277 . 1 1 28 28 LEU N N 15 125.190 0.300 . 1 . . . . 28 LEU N . 10129 1 278 . 1 1 29 29 SER H H 1 8.125 0.030 . 1 . . . . 29 SER H . 10129 1 279 . 1 1 29 29 SER HA H 1 4.362 0.030 . 1 . . . . 29 SER HA . 10129 1 280 . 1 1 29 29 SER HB2 H 1 4.050 0.030 . 2 . . . . 29 SER HB2 . 10129 1 281 . 1 1 29 29 SER HB3 H 1 3.539 0.030 . 2 . . . . 29 SER HB3 . 10129 1 282 . 1 1 29 29 SER C C 13 176.402 0.300 . 1 . . . . 29 SER C . 10129 1 283 . 1 1 29 29 SER CA C 13 58.469 0.300 . 1 . . . . 29 SER CA . 10129 1 284 . 1 1 29 29 SER CB C 13 63.787 0.300 . 1 . . . . 29 SER CB . 10129 1 285 . 1 1 29 29 SER N N 15 117.606 0.300 . 1 . . . . 29 SER N . 10129 1 286 . 1 1 30 30 THR H H 1 8.850 0.030 . 1 . . . . 30 THR H . 10129 1 287 . 1 1 30 30 THR HA H 1 4.453 0.030 . 1 . . . . 30 THR HA . 10129 1 288 . 1 1 30 30 THR HB H 1 4.464 0.030 . 1 . . . . 30 THR HB . 10129 1 289 . 1 1 30 30 THR HG21 H 1 1.257 0.030 . 1 . . . . 30 THR HG2 . 10129 1 290 . 1 1 30 30 THR HG22 H 1 1.257 0.030 . 1 . . . . 30 THR HG2 . 10129 1 291 . 1 1 30 30 THR HG23 H 1 1.257 0.030 . 1 . . . . 30 THR HG2 . 10129 1 292 . 1 1 30 30 THR C C 13 175.082 0.300 . 1 . . . . 30 THR C . 10129 1 293 . 1 1 30 30 THR CA C 13 62.261 0.300 . 1 . . . . 30 THR CA . 10129 1 294 . 1 1 30 30 THR CB C 13 68.893 0.300 . 1 . . . . 30 THR CB . 10129 1 295 . 1 1 30 30 THR CG2 C 13 21.949 0.300 . 1 . . . . 30 THR CG2 . 10129 1 296 . 1 1 30 30 THR N N 15 117.006 0.300 . 1 . . . . 30 THR N . 10129 1 297 . 1 1 31 31 VAL H H 1 7.927 0.030 . 1 . . . . 31 VAL H . 10129 1 298 . 1 1 31 31 VAL HA H 1 4.279 0.030 . 1 . . . . 31 VAL HA . 10129 1 299 . 1 1 31 31 VAL HB H 1 2.045 0.030 . 1 . . . . 31 VAL HB . 10129 1 300 . 1 1 31 31 VAL HG11 H 1 0.904 0.030 . 1 . . . . 31 VAL HG1 . 10129 1 301 . 1 1 31 31 VAL HG12 H 1 0.904 0.030 . 1 . . . . 31 VAL HG1 . 10129 1 302 . 1 1 31 31 VAL HG13 H 1 0.904 0.030 . 1 . . . . 31 VAL HG1 . 10129 1 303 . 1 1 31 31 VAL HG21 H 1 0.869 0.030 . 1 . . . . 31 VAL HG2 . 10129 1 304 . 1 1 31 31 VAL HG22 H 1 0.869 0.030 . 1 . . . . 31 VAL HG2 . 10129 1 305 . 1 1 31 31 VAL HG23 H 1 0.869 0.030 . 1 . . . . 31 VAL HG2 . 10129 1 306 . 1 1 31 31 VAL C C 13 175.310 0.300 . 1 . . . . 31 VAL C . 10129 1 307 . 1 1 31 31 VAL CA C 13 62.482 0.300 . 1 . . . . 31 VAL CA . 10129 1 308 . 1 1 31 31 VAL CB C 13 33.694 0.300 . 1 . . . . 31 VAL CB . 10129 1 309 . 1 1 31 31 VAL CG1 C 13 21.374 0.300 . 2 . . . . 31 VAL CG1 . 10129 1 310 . 1 1 31 31 VAL CG2 C 13 20.043 0.300 . 2 . . . . 31 VAL CG2 . 10129 1 311 . 1 1 31 31 VAL N N 15 117.292 0.300 . 1 . . . . 31 VAL N . 10129 1 312 . 1 1 32 32 GLU H H 1 7.717 0.030 . 1 . . . . 32 GLU H . 10129 1 313 . 1 1 32 32 GLU HA H 1 4.560 0.030 . 1 . . . . 32 GLU HA . 10129 1 314 . 1 1 32 32 GLU HB2 H 1 1.839 0.030 . 2 . . . . 32 GLU HB2 . 10129 1 315 . 1 1 32 32 GLU HB3 H 1 1.737 0.030 . 2 . . . . 32 GLU HB3 . 10129 1 316 . 1 1 32 32 GLU HG2 H 1 2.121 0.030 . 1 . . . . 32 GLU HG2 . 10129 1 317 . 1 1 32 32 GLU HG3 H 1 2.121 0.030 . 1 . . . . 32 GLU HG3 . 10129 1 318 . 1 1 32 32 GLU C C 13 174.950 0.300 . 1 . . . . 32 GLU C . 10129 1 319 . 1 1 32 32 GLU CA C 13 54.681 0.300 . 1 . . . . 32 GLU CA . 10129 1 320 . 1 1 32 32 GLU CB C 13 32.409 0.300 . 1 . . . . 32 GLU CB . 10129 1 321 . 1 1 32 32 GLU CG C 13 36.279 0.300 . 1 . . . . 32 GLU CG . 10129 1 322 . 1 1 32 32 GLU N N 15 121.071 0.300 . 1 . . . . 32 GLU N . 10129 1 323 . 1 1 33 33 ARG H H 1 8.539 0.030 . 1 . . . . 33 ARG H . 10129 1 324 . 1 1 33 33 ARG HA H 1 4.233 0.030 . 1 . . . . 33 ARG HA . 10129 1 325 . 1 1 33 33 ARG HB2 H 1 1.852 0.030 . 2 . . . . 33 ARG HB2 . 10129 1 326 . 1 1 33 33 ARG HB3 H 1 1.795 0.030 . 2 . . . . 33 ARG HB3 . 10129 1 327 . 1 1 33 33 ARG HG2 H 1 1.713 0.030 . 1 . . . . 33 ARG HG2 . 10129 1 328 . 1 1 33 33 ARG HG3 H 1 1.713 0.030 . 1 . . . . 33 ARG HG3 . 10129 1 329 . 1 1 33 33 ARG HD2 H 1 3.228 0.030 . 1 . . . . 33 ARG HD2 . 10129 1 330 . 1 1 33 33 ARG HD3 H 1 3.228 0.030 . 1 . . . . 33 ARG HD3 . 10129 1 331 . 1 1 33 33 ARG C C 13 176.246 0.300 . 1 . . . . 33 ARG C . 10129 1 332 . 1 1 33 33 ARG CA C 13 56.555 0.300 . 1 . . . . 33 ARG CA . 10129 1 333 . 1 1 33 33 ARG CB C 13 30.979 0.300 . 1 . . . . 33 ARG CB . 10129 1 334 . 1 1 33 33 ARG CG C 13 27.465 0.300 . 1 . . . . 33 ARG CG . 10129 1 335 . 1 1 33 33 ARG CD C 13 43.387 0.300 . 1 . . . . 33 ARG CD . 10129 1 336 . 1 1 33 33 ARG N N 15 122.495 0.300 . 1 . . . . 33 ARG N . 10129 1 337 . 1 1 34 34 ARG H H 1 9.015 0.030 . 1 . . . . 34 ARG H . 10129 1 338 . 1 1 34 34 ARG HA H 1 3.689 0.030 . 1 . . . . 34 ARG HA . 10129 1 339 . 1 1 34 34 ARG HB2 H 1 2.231 0.030 . 2 . . . . 34 ARG HB2 . 10129 1 340 . 1 1 34 34 ARG HB3 H 1 1.898 0.030 . 2 . . . . 34 ARG HB3 . 10129 1 341 . 1 1 34 34 ARG HG2 H 1 1.605 0.030 . 2 . . . . 34 ARG HG2 . 10129 1 342 . 1 1 34 34 ARG HG3 H 1 1.472 0.030 . 2 . . . . 34 ARG HG3 . 10129 1 343 . 1 1 34 34 ARG HD2 H 1 3.306 0.030 . 2 . . . . 34 ARG HD2 . 10129 1 344 . 1 1 34 34 ARG HD3 H 1 3.246 0.030 . 2 . . . . 34 ARG HD3 . 10129 1 345 . 1 1 34 34 ARG C C 13 173.133 0.300 . 1 . . . . 34 ARG C . 10129 1 346 . 1 1 34 34 ARG CA C 13 57.216 0.300 . 1 . . . . 34 ARG CA . 10129 1 347 . 1 1 34 34 ARG CB C 13 27.556 0.300 . 1 . . . . 34 ARG CB . 10129 1 348 . 1 1 34 34 ARG CG C 13 28.000 0.300 . 1 . . . . 34 ARG CG . 10129 1 349 . 1 1 34 34 ARG CD C 13 44.061 0.300 . 1 . . . . 34 ARG CD . 10129 1 350 . 1 1 34 34 ARG N N 15 116.751 0.300 . 1 . . . . 34 ARG N . 10129 1 351 . 1 1 35 35 ALA H H 1 7.726 0.030 . 1 . . . . 35 ALA H . 10129 1 352 . 1 1 35 35 ALA HA H 1 5.523 0.030 . 1 . . . . 35 ALA HA . 10129 1 353 . 1 1 35 35 ALA HB1 H 1 1.097 0.030 . 1 . . . . 35 ALA HB . 10129 1 354 . 1 1 35 35 ALA HB2 H 1 1.097 0.030 . 1 . . . . 35 ALA HB . 10129 1 355 . 1 1 35 35 ALA HB3 H 1 1.097 0.030 . 1 . . . . 35 ALA HB . 10129 1 356 . 1 1 35 35 ALA C C 13 176.476 0.300 . 1 . . . . 35 ALA C . 10129 1 357 . 1 1 35 35 ALA CA C 13 50.453 0.300 . 1 . . . . 35 ALA CA . 10129 1 358 . 1 1 35 35 ALA CB C 13 23.144 0.300 . 1 . . . . 35 ALA CB . 10129 1 359 . 1 1 35 35 ALA N N 15 117.423 0.300 . 1 . . . . 35 ALA N . 10129 1 360 . 1 1 36 36 ILE H H 1 8.667 0.030 . 1 . . . . 36 ILE H . 10129 1 361 . 1 1 36 36 ILE HA H 1 4.426 0.030 . 1 . . . . 36 ILE HA . 10129 1 362 . 1 1 36 36 ILE HB H 1 1.268 0.030 . 1 . . . . 36 ILE HB . 10129 1 363 . 1 1 36 36 ILE HG12 H 1 1.453 0.030 . 2 . . . . 36 ILE HG12 . 10129 1 364 . 1 1 36 36 ILE HG13 H 1 0.843 0.030 . 2 . . . . 36 ILE HG13 . 10129 1 365 . 1 1 36 36 ILE HG21 H 1 0.713 0.030 . 1 . . . . 36 ILE HG2 . 10129 1 366 . 1 1 36 36 ILE HG22 H 1 0.713 0.030 . 1 . . . . 36 ILE HG2 . 10129 1 367 . 1 1 36 36 ILE HG23 H 1 0.713 0.030 . 1 . . . . 36 ILE HG2 . 10129 1 368 . 1 1 36 36 ILE HD11 H 1 0.727 0.030 . 1 . . . . 36 ILE HD1 . 10129 1 369 . 1 1 36 36 ILE HD12 H 1 0.727 0.030 . 1 . . . . 36 ILE HD1 . 10129 1 370 . 1 1 36 36 ILE HD13 H 1 0.727 0.030 . 1 . . . . 36 ILE HD1 . 10129 1 371 . 1 1 36 36 ILE C C 13 173.695 0.300 . 1 . . . . 36 ILE C . 10129 1 372 . 1 1 36 36 ILE CA C 13 59.869 0.300 . 1 . . . . 36 ILE CA . 10129 1 373 . 1 1 36 36 ILE CB C 13 42.815 0.300 . 1 . . . . 36 ILE CB . 10129 1 374 . 1 1 36 36 ILE CG1 C 13 29.295 0.300 . 1 . . . . 36 ILE CG1 . 10129 1 375 . 1 1 36 36 ILE CG2 C 13 17.973 0.300 . 1 . . . . 36 ILE CG2 . 10129 1 376 . 1 1 36 36 ILE CD1 C 13 14.564 0.300 . 1 . . . . 36 ILE CD1 . 10129 1 377 . 1 1 36 36 ILE N N 15 120.749 0.300 . 1 . . . . 36 ILE N . 10129 1 378 . 1 1 37 37 ASN H H 1 9.323 0.030 . 1 . . . . 37 ASN H . 10129 1 379 . 1 1 37 37 ASN HA H 1 5.129 0.030 . 1 . . . . 37 ASN HA . 10129 1 380 . 1 1 37 37 ASN HB2 H 1 2.824 0.030 . 2 . . . . 37 ASN HB2 . 10129 1 381 . 1 1 37 37 ASN HB3 H 1 2.682 0.030 . 2 . . . . 37 ASN HB3 . 10129 1 382 . 1 1 37 37 ASN HD21 H 1 7.483 0.030 . 2 . . . . 37 ASN HD21 . 10129 1 383 . 1 1 37 37 ASN HD22 H 1 6.686 0.030 . 2 . . . . 37 ASN HD22 . 10129 1 384 . 1 1 37 37 ASN C C 13 173.600 0.300 . 1 . . . . 37 ASN C . 10129 1 385 . 1 1 37 37 ASN CA C 13 52.423 0.300 . 1 . . . . 37 ASN CA . 10129 1 386 . 1 1 37 37 ASN CB C 13 40.227 0.300 . 1 . . . . 37 ASN CB . 10129 1 387 . 1 1 37 37 ASN N N 15 125.166 0.300 . 1 . . . . 37 ASN N . 10129 1 388 . 1 1 37 37 ASN ND2 N 15 111.766 0.300 . 1 . . . . 37 ASN ND2 . 10129 1 389 . 1 1 38 38 LEU H H 1 9.086 0.030 . 1 . . . . 38 LEU H . 10129 1 390 . 1 1 38 38 LEU HA H 1 5.686 0.030 . 1 . . . . 38 LEU HA . 10129 1 391 . 1 1 38 38 LEU HB2 H 1 1.570 0.030 . 1 . . . . 38 LEU HB2 . 10129 1 392 . 1 1 38 38 LEU HB3 H 1 1.570 0.030 . 1 . . . . 38 LEU HB3 . 10129 1 393 . 1 1 38 38 LEU HG H 1 1.395 0.030 . 1 . . . . 38 LEU HG . 10129 1 394 . 1 1 38 38 LEU HD11 H 1 0.509 0.030 . 1 . . . . 38 LEU HD1 . 10129 1 395 . 1 1 38 38 LEU HD12 H 1 0.509 0.030 . 1 . . . . 38 LEU HD1 . 10129 1 396 . 1 1 38 38 LEU HD13 H 1 0.509 0.030 . 1 . . . . 38 LEU HD1 . 10129 1 397 . 1 1 38 38 LEU HD21 H 1 0.452 0.030 . 1 . . . . 38 LEU HD2 . 10129 1 398 . 1 1 38 38 LEU HD22 H 1 0.452 0.030 . 1 . . . . 38 LEU HD2 . 10129 1 399 . 1 1 38 38 LEU HD23 H 1 0.452 0.030 . 1 . . . . 38 LEU HD2 . 10129 1 400 . 1 1 38 38 LEU C C 13 176.319 0.300 . 1 . . . . 38 LEU C . 10129 1 401 . 1 1 38 38 LEU CA C 13 53.516 0.300 . 1 . . . . 38 LEU CA . 10129 1 402 . 1 1 38 38 LEU CB C 13 45.599 0.300 . 1 . . . . 38 LEU CB . 10129 1 403 . 1 1 38 38 LEU CG C 13 27.927 0.300 . 1 . . . . 38 LEU CG . 10129 1 404 . 1 1 38 38 LEU CD1 C 13 26.204 0.300 . 2 . . . . 38 LEU CD1 . 10129 1 405 . 1 1 38 38 LEU CD2 C 13 25.817 0.300 . 2 . . . . 38 LEU CD2 . 10129 1 406 . 1 1 38 38 LEU N N 15 126.475 0.300 . 1 . . . . 38 LEU N . 10129 1 407 . 1 1 39 39 THR H H 1 8.795 0.030 . 1 . . . . 39 THR H . 10129 1 408 . 1 1 39 39 THR HA H 1 4.932 0.030 . 1 . . . . 39 THR HA . 10129 1 409 . 1 1 39 39 THR HB H 1 4.158 0.030 . 1 . . . . 39 THR HB . 10129 1 410 . 1 1 39 39 THR HG21 H 1 1.073 0.030 . 1 . . . . 39 THR HG2 . 10129 1 411 . 1 1 39 39 THR HG22 H 1 1.073 0.030 . 1 . . . . 39 THR HG2 . 10129 1 412 . 1 1 39 39 THR HG23 H 1 1.073 0.030 . 1 . . . . 39 THR HG2 . 10129 1 413 . 1 1 39 39 THR C C 13 172.857 0.300 . 1 . . . . 39 THR C . 10129 1 414 . 1 1 39 39 THR CA C 13 60.263 0.300 . 1 . . . . 39 THR CA . 10129 1 415 . 1 1 39 39 THR CB C 13 72.113 0.300 . 1 . . . . 39 THR CB . 10129 1 416 . 1 1 39 39 THR CG2 C 13 21.452 0.300 . 1 . . . . 39 THR CG2 . 10129 1 417 . 1 1 39 39 THR N N 15 114.025 0.300 . 1 . . . . 39 THR N . 10129 1 418 . 1 1 40 40 TRP H H 1 7.768 0.030 . 1 . . . . 40 TRP H . 10129 1 419 . 1 1 40 40 TRP HA H 1 4.926 0.030 . 1 . . . . 40 TRP HA . 10129 1 420 . 1 1 40 40 TRP HB2 H 1 3.256 0.030 . 2 . . . . 40 TRP HB2 . 10129 1 421 . 1 1 40 40 TRP HB3 H 1 2.879 0.030 . 2 . . . . 40 TRP HB3 . 10129 1 422 . 1 1 40 40 TRP HD1 H 1 6.610 0.030 . 1 . . . . 40 TRP HD1 . 10129 1 423 . 1 1 40 40 TRP HE1 H 1 7.931 0.030 . 1 . . . . 40 TRP HE1 . 10129 1 424 . 1 1 40 40 TRP HE3 H 1 6.722 0.030 . 1 . . . . 40 TRP HE3 . 10129 1 425 . 1 1 40 40 TRP HZ2 H 1 6.344 0.030 . 1 . . . . 40 TRP HZ2 . 10129 1 426 . 1 1 40 40 TRP HH2 H 1 6.338 0.030 . 1 . . . . 40 TRP HH2 . 10129 1 427 . 1 1 40 40 TRP C C 13 173.190 0.300 . 1 . . . . 40 TRP C . 10129 1 428 . 1 1 40 40 TRP CA C 13 57.799 0.300 . 1 . . . . 40 TRP CA . 10129 1 429 . 1 1 40 40 TRP CB C 13 29.395 0.300 . 1 . . . . 40 TRP CB . 10129 1 430 . 1 1 40 40 TRP CD1 C 13 124.044 0.300 . 1 . . . . 40 TRP CD1 . 10129 1 431 . 1 1 40 40 TRP CE3 C 13 120.010 0.300 . 1 . . . . 40 TRP CE3 . 10129 1 432 . 1 1 40 40 TRP CZ2 C 13 114.188 0.300 . 1 . . . . 40 TRP CZ2 . 10129 1 433 . 1 1 40 40 TRP CZ3 C 13 120.588 0.300 . 1 . . . . 40 TRP CZ3 . 10129 1 434 . 1 1 40 40 TRP CH2 C 13 122.606 0.300 . 1 . . . . 40 TRP CH2 . 10129 1 435 . 1 1 40 40 TRP N N 15 117.042 0.300 . 1 . . . . 40 TRP N . 10129 1 436 . 1 1 40 40 TRP NE1 N 15 125.041 0.300 . 1 . . . . 40 TRP NE1 . 10129 1 437 . 1 1 41 41 THR H H 1 8.910 0.030 . 1 . . . . 41 THR H . 10129 1 438 . 1 1 41 41 THR HA H 1 4.540 0.030 . 1 . . . . 41 THR HA . 10129 1 439 . 1 1 41 41 THR HB H 1 4.042 0.030 . 1 . . . . 41 THR HB . 10129 1 440 . 1 1 41 41 THR HG21 H 1 1.318 0.030 . 1 . . . . 41 THR HG2 . 10129 1 441 . 1 1 41 41 THR HG22 H 1 1.318 0.030 . 1 . . . . 41 THR HG2 . 10129 1 442 . 1 1 41 41 THR HG23 H 1 1.318 0.030 . 1 . . . . 41 THR HG2 . 10129 1 443 . 1 1 41 41 THR C C 13 174.340 0.300 . 1 . . . . 41 THR C . 10129 1 444 . 1 1 41 41 THR CA C 13 61.420 0.300 . 1 . . . . 41 THR CA . 10129 1 445 . 1 1 41 41 THR CB C 13 70.498 0.300 . 1 . . . . 41 THR CB . 10129 1 446 . 1 1 41 41 THR CG2 C 13 21.613 0.300 . 1 . . . . 41 THR CG2 . 10129 1 447 . 1 1 41 41 THR N N 15 114.342 0.300 . 1 . . . . 41 THR N . 10129 1 448 . 1 1 42 42 LYS H H 1 8.843 0.030 . 1 . . . . 42 LYS H . 10129 1 449 . 1 1 42 42 LYS HA H 1 4.696 0.030 . 1 . . . . 42 LYS HA . 10129 1 450 . 1 1 42 42 LYS HB2 H 1 1.920 0.030 . 2 . . . . 42 LYS HB2 . 10129 1 451 . 1 1 42 42 LYS HB3 H 1 1.786 0.030 . 2 . . . . 42 LYS HB3 . 10129 1 452 . 1 1 42 42 LYS HG2 H 1 1.773 0.030 . 2 . . . . 42 LYS HG2 . 10129 1 453 . 1 1 42 42 LYS HG3 H 1 1.692 0.030 . 2 . . . . 42 LYS HG3 . 10129 1 454 . 1 1 42 42 LYS HD2 H 1 1.846 0.030 . 2 . . . . 42 LYS HD2 . 10129 1 455 . 1 1 42 42 LYS HD3 H 1 1.673 0.030 . 2 . . . . 42 LYS HD3 . 10129 1 456 . 1 1 42 42 LYS HE2 H 1 3.032 0.030 . 1 . . . . 42 LYS HE2 . 10129 1 457 . 1 1 42 42 LYS HE3 H 1 3.032 0.030 . 1 . . . . 42 LYS HE3 . 10129 1 458 . 1 1 42 42 LYS C C 13 174.736 0.300 . 1 . . . . 42 LYS C . 10129 1 459 . 1 1 42 42 LYS CA C 13 54.796 0.300 . 1 . . . . 42 LYS CA . 10129 1 460 . 1 1 42 42 LYS CB C 13 33.360 0.300 . 1 . . . . 42 LYS CB . 10129 1 461 . 1 1 42 42 LYS CG C 13 23.600 0.300 . 1 . . . . 42 LYS CG . 10129 1 462 . 1 1 42 42 LYS CD C 13 29.952 0.300 . 1 . . . . 42 LYS CD . 10129 1 463 . 1 1 42 42 LYS CE C 13 42.362 0.300 . 1 . . . . 42 LYS CE . 10129 1 464 . 1 1 42 42 LYS N N 15 129.874 0.300 . 1 . . . . 42 LYS N . 10129 1 465 . 1 1 43 43 PRO HA H 1 4.806 0.030 . 1 . . . . 43 PRO HA . 10129 1 466 . 1 1 43 43 PRO HB2 H 1 2.042 0.030 . 2 . . . . 43 PRO HB2 . 10129 1 467 . 1 1 43 43 PRO HB3 H 1 1.905 0.030 . 2 . . . . 43 PRO HB3 . 10129 1 468 . 1 1 43 43 PRO HG2 H 1 1.869 0.030 . 2 . . . . 43 PRO HG2 . 10129 1 469 . 1 1 43 43 PRO HG3 H 1 1.788 0.030 . 2 . . . . 43 PRO HG3 . 10129 1 470 . 1 1 43 43 PRO HD2 H 1 4.330 0.030 . 2 . . . . 43 PRO HD2 . 10129 1 471 . 1 1 43 43 PRO HD3 H 1 3.826 0.030 . 2 . . . . 43 PRO HD3 . 10129 1 472 . 1 1 43 43 PRO C C 13 176.428 0.300 . 1 . . . . 43 PRO C . 10129 1 473 . 1 1 43 43 PRO CA C 13 61.456 0.300 . 1 . . . . 43 PRO CA . 10129 1 474 . 1 1 43 43 PRO CB C 13 33.440 0.300 . 1 . . . . 43 PRO CB . 10129 1 475 . 1 1 43 43 PRO CG C 13 26.721 0.300 . 1 . . . . 43 PRO CG . 10129 1 476 . 1 1 43 43 PRO CD C 13 51.107 0.300 . 1 . . . . 43 PRO CD . 10129 1 477 . 1 1 44 44 PHE H H 1 8.522 0.030 . 1 . . . . 44 PHE H . 10129 1 478 . 1 1 44 44 PHE HA H 1 4.582 0.030 . 1 . . . . 44 PHE HA . 10129 1 479 . 1 1 44 44 PHE HB2 H 1 3.260 0.030 . 2 . . . . 44 PHE HB2 . 10129 1 480 . 1 1 44 44 PHE HB3 H 1 2.214 0.030 . 2 . . . . 44 PHE HB3 . 10129 1 481 . 1 1 44 44 PHE HD1 H 1 6.586 0.030 . 1 . . . . 44 PHE HD1 . 10129 1 482 . 1 1 44 44 PHE HD2 H 1 6.586 0.030 . 1 . . . . 44 PHE HD2 . 10129 1 483 . 1 1 44 44 PHE HE1 H 1 7.256 0.030 . 1 . . . . 44 PHE HE1 . 10129 1 484 . 1 1 44 44 PHE HE2 H 1 7.256 0.030 . 1 . . . . 44 PHE HE2 . 10129 1 485 . 1 1 44 44 PHE HZ H 1 7.216 0.030 . 1 . . . . 44 PHE HZ . 10129 1 486 . 1 1 44 44 PHE C C 13 175.872 0.300 . 1 . . . . 44 PHE C . 10129 1 487 . 1 1 44 44 PHE CA C 13 58.297 0.300 . 1 . . . . 44 PHE CA . 10129 1 488 . 1 1 44 44 PHE CB C 13 38.954 0.300 . 1 . . . . 44 PHE CB . 10129 1 489 . 1 1 44 44 PHE CD1 C 13 131.504 0.300 . 1 . . . . 44 PHE CD1 . 10129 1 490 . 1 1 44 44 PHE CD2 C 13 131.504 0.300 . 1 . . . . 44 PHE CD2 . 10129 1 491 . 1 1 44 44 PHE CE1 C 13 131.498 0.300 . 1 . . . . 44 PHE CE1 . 10129 1 492 . 1 1 44 44 PHE CE2 C 13 131.498 0.300 . 1 . . . . 44 PHE CE2 . 10129 1 493 . 1 1 44 44 PHE CZ C 13 130.107 0.300 . 1 . . . . 44 PHE CZ . 10129 1 494 . 1 1 44 44 PHE N N 15 118.706 0.300 . 1 . . . . 44 PHE N . 10129 1 495 . 1 1 45 45 ASP H H 1 7.524 0.030 . 1 . . . . 45 ASP H . 10129 1 496 . 1 1 45 45 ASP HA H 1 3.893 0.030 . 1 . . . . 45 ASP HA . 10129 1 497 . 1 1 45 45 ASP HB2 H 1 3.498 0.030 . 2 . . . . 45 ASP HB2 . 10129 1 498 . 1 1 45 45 ASP HB3 H 1 2.223 0.030 . 2 . . . . 45 ASP HB3 . 10129 1 499 . 1 1 45 45 ASP C C 13 174.985 0.300 . 1 . . . . 45 ASP C . 10129 1 500 . 1 1 45 45 ASP CA C 13 53.617 0.300 . 1 . . . . 45 ASP CA . 10129 1 501 . 1 1 45 45 ASP CB C 13 41.051 0.300 . 1 . . . . 45 ASP CB . 10129 1 502 . 1 1 45 45 ASP N N 15 126.975 0.300 . 1 . . . . 45 ASP N . 10129 1 503 . 1 1 46 46 GLY H H 1 4.665 0.030 . 1 . . . . 46 GLY H . 10129 1 504 . 1 1 46 46 GLY HA2 H 1 3.564 0.030 . 2 . . . . 46 GLY HA2 . 10129 1 505 . 1 1 46 46 GLY HA3 H 1 2.732 0.030 . 2 . . . . 46 GLY HA3 . 10129 1 506 . 1 1 46 46 GLY C C 13 173.760 0.300 . 1 . . . . 46 GLY C . 10129 1 507 . 1 1 46 46 GLY CA C 13 46.529 0.300 . 1 . . . . 46 GLY CA . 10129 1 508 . 1 1 47 47 ASN H H 1 7.927 0.030 . 1 . . . . 47 ASN H . 10129 1 509 . 1 1 47 47 ASN HA H 1 4.016 0.030 . 1 . . . . 47 ASN HA . 10129 1 510 . 1 1 47 47 ASN HB2 H 1 3.181 0.030 . 2 . . . . 47 ASN HB2 . 10129 1 511 . 1 1 47 47 ASN HB3 H 1 2.861 0.030 . 2 . . . . 47 ASN HB3 . 10129 1 512 . 1 1 47 47 ASN HD21 H 1 7.527 0.030 . 2 . . . . 47 ASN HD21 . 10129 1 513 . 1 1 47 47 ASN HD22 H 1 7.319 0.030 . 2 . . . . 47 ASN HD22 . 10129 1 514 . 1 1 47 47 ASN C C 13 173.535 0.300 . 1 . . . . 47 ASN C . 10129 1 515 . 1 1 47 47 ASN CA C 13 54.600 0.300 . 1 . . . . 47 ASN CA . 10129 1 516 . 1 1 47 47 ASN CB C 13 37.145 0.300 . 1 . . . . 47 ASN CB . 10129 1 517 . 1 1 47 47 ASN N N 15 108.899 0.300 . 1 . . . . 47 ASN N . 10129 1 518 . 1 1 47 47 ASN ND2 N 15 115.309 0.300 . 1 . . . . 47 ASN ND2 . 10129 1 519 . 1 1 48 48 SER H H 1 6.803 0.030 . 1 . . . . 48 SER H . 10129 1 520 . 1 1 48 48 SER HA H 1 4.762 0.030 . 1 . . . . 48 SER HA . 10129 1 521 . 1 1 48 48 SER HB2 H 1 3.772 0.030 . 2 . . . . 48 SER HB2 . 10129 1 522 . 1 1 48 48 SER HB3 H 1 3.374 0.030 . 2 . . . . 48 SER HB3 . 10129 1 523 . 1 1 48 48 SER C C 13 171.739 0.300 . 1 . . . . 48 SER C . 10129 1 524 . 1 1 48 48 SER CA C 13 55.639 0.300 . 1 . . . . 48 SER CA . 10129 1 525 . 1 1 48 48 SER CB C 13 64.997 0.300 . 1 . . . . 48 SER CB . 10129 1 526 . 1 1 48 48 SER N N 15 113.948 0.300 . 1 . . . . 48 SER N . 10129 1 527 . 1 1 49 49 PRO HA H 1 4.280 0.030 . 1 . . . . 49 PRO HA . 10129 1 528 . 1 1 49 49 PRO HB2 H 1 2.234 0.030 . 2 . . . . 49 PRO HB2 . 10129 1 529 . 1 1 49 49 PRO HB3 H 1 1.773 0.030 . 2 . . . . 49 PRO HB3 . 10129 1 530 . 1 1 49 49 PRO HG2 H 1 1.993 0.030 . 2 . . . . 49 PRO HG2 . 10129 1 531 . 1 1 49 49 PRO HG3 H 1 1.940 0.030 . 2 . . . . 49 PRO HG3 . 10129 1 532 . 1 1 49 49 PRO HD2 H 1 3.693 0.030 . 2 . . . . 49 PRO HD2 . 10129 1 533 . 1 1 49 49 PRO HD3 H 1 3.653 0.030 . 2 . . . . 49 PRO HD3 . 10129 1 534 . 1 1 49 49 PRO C C 13 177.988 0.300 . 1 . . . . 49 PRO C . 10129 1 535 . 1 1 49 49 PRO CA C 13 62.951 0.300 . 1 . . . . 49 PRO CA . 10129 1 536 . 1 1 49 49 PRO CB C 13 32.331 0.300 . 1 . . . . 49 PRO CB . 10129 1 537 . 1 1 49 49 PRO CG C 13 27.604 0.300 . 1 . . . . 49 PRO CG . 10129 1 538 . 1 1 49 49 PRO CD C 13 50.685 0.300 . 1 . . . . 49 PRO CD . 10129 1 539 . 1 1 50 50 LEU H H 1 8.736 0.030 . 1 . . . . 50 LEU H . 10129 1 540 . 1 1 50 50 LEU HA H 1 4.115 0.030 . 1 . . . . 50 LEU HA . 10129 1 541 . 1 1 50 50 LEU HB2 H 1 1.794 0.030 . 2 . . . . 50 LEU HB2 . 10129 1 542 . 1 1 50 50 LEU HB3 H 1 0.916 0.030 . 2 . . . . 50 LEU HB3 . 10129 1 543 . 1 1 50 50 LEU HG H 1 2.059 0.030 . 1 . . . . 50 LEU HG . 10129 1 544 . 1 1 50 50 LEU HD11 H 1 0.721 0.030 . 1 . . . . 50 LEU HD1 . 10129 1 545 . 1 1 50 50 LEU HD12 H 1 0.721 0.030 . 1 . . . . 50 LEU HD1 . 10129 1 546 . 1 1 50 50 LEU HD13 H 1 0.721 0.030 . 1 . . . . 50 LEU HD1 . 10129 1 547 . 1 1 50 50 LEU HD21 H 1 0.783 0.030 . 1 . . . . 50 LEU HD2 . 10129 1 548 . 1 1 50 50 LEU HD22 H 1 0.783 0.030 . 1 . . . . 50 LEU HD2 . 10129 1 549 . 1 1 50 50 LEU HD23 H 1 0.783 0.030 . 1 . . . . 50 LEU HD2 . 10129 1 550 . 1 1 50 50 LEU C C 13 177.582 0.300 . 1 . . . . 50 LEU C . 10129 1 551 . 1 1 50 50 LEU CA C 13 55.875 0.300 . 1 . . . . 50 LEU CA . 10129 1 552 . 1 1 50 50 LEU CB C 13 41.613 0.300 . 1 . . . . 50 LEU CB . 10129 1 553 . 1 1 50 50 LEU CG C 13 26.510 0.300 . 1 . . . . 50 LEU CG . 10129 1 554 . 1 1 50 50 LEU CD1 C 13 23.413 0.300 . 2 . . . . 50 LEU CD1 . 10129 1 555 . 1 1 50 50 LEU CD2 C 13 26.147 0.300 . 2 . . . . 50 LEU CD2 . 10129 1 556 . 1 1 50 50 LEU N N 15 118.813 0.300 . 1 . . . . 50 LEU N . 10129 1 557 . 1 1 51 51 ILE H H 1 9.367 0.030 . 1 . . . . 51 ILE H . 10129 1 558 . 1 1 51 51 ILE HA H 1 4.127 0.030 . 1 . . . . 51 ILE HA . 10129 1 559 . 1 1 51 51 ILE HB H 1 1.458 0.030 . 1 . . . . 51 ILE HB . 10129 1 560 . 1 1 51 51 ILE HG12 H 1 1.436 0.030 . 2 . . . . 51 ILE HG12 . 10129 1 561 . 1 1 51 51 ILE HG13 H 1 0.890 0.030 . 2 . . . . 51 ILE HG13 . 10129 1 562 . 1 1 51 51 ILE HG21 H 1 0.821 0.030 . 1 . . . . 51 ILE HG2 . 10129 1 563 . 1 1 51 51 ILE HG22 H 1 0.821 0.030 . 1 . . . . 51 ILE HG2 . 10129 1 564 . 1 1 51 51 ILE HG23 H 1 0.821 0.030 . 1 . . . . 51 ILE HG2 . 10129 1 565 . 1 1 51 51 ILE HD11 H 1 0.665 0.030 . 1 . . . . 51 ILE HD1 . 10129 1 566 . 1 1 51 51 ILE HD12 H 1 0.665 0.030 . 1 . . . . 51 ILE HD1 . 10129 1 567 . 1 1 51 51 ILE HD13 H 1 0.665 0.030 . 1 . . . . 51 ILE HD1 . 10129 1 568 . 1 1 51 51 ILE C C 13 175.608 0.300 . 1 . . . . 51 ILE C . 10129 1 569 . 1 1 51 51 ILE CA C 13 62.035 0.300 . 1 . . . . 51 ILE CA . 10129 1 570 . 1 1 51 51 ILE CB C 13 40.348 0.300 . 1 . . . . 51 ILE CB . 10129 1 571 . 1 1 51 51 ILE CG1 C 13 27.763 0.300 . 1 . . . . 51 ILE CG1 . 10129 1 572 . 1 1 51 51 ILE CG2 C 13 17.286 0.300 . 1 . . . . 51 ILE CG2 . 10129 1 573 . 1 1 51 51 ILE CD1 C 13 13.310 0.300 . 1 . . . . 51 ILE CD1 . 10129 1 574 . 1 1 51 51 ILE N N 15 119.331 0.300 . 1 . . . . 51 ILE N . 10129 1 575 . 1 1 52 52 ARG H H 1 7.374 0.030 . 1 . . . . 52 ARG H . 10129 1 576 . 1 1 52 52 ARG HA H 1 4.781 0.030 . 1 . . . . 52 ARG HA . 10129 1 577 . 1 1 52 52 ARG HB2 H 1 2.448 0.030 . 2 . . . . 52 ARG HB2 . 10129 1 578 . 1 1 52 52 ARG HB3 H 1 1.844 0.030 . 2 . . . . 52 ARG HB3 . 10129 1 579 . 1 1 52 52 ARG HG2 H 1 1.175 0.030 . 2 . . . . 52 ARG HG2 . 10129 1 580 . 1 1 52 52 ARG HG3 H 1 0.970 0.030 . 2 . . . . 52 ARG HG3 . 10129 1 581 . 1 1 52 52 ARG HD2 H 1 3.527 0.030 . 2 . . . . 52 ARG HD2 . 10129 1 582 . 1 1 52 52 ARG HD3 H 1 3.178 0.030 . 2 . . . . 52 ARG HD3 . 10129 1 583 . 1 1 52 52 ARG HE H 1 7.132 0.030 . 1 . . . . 52 ARG HE . 10129 1 584 . 1 1 52 52 ARG C C 13 174.070 0.300 . 1 . . . . 52 ARG C . 10129 1 585 . 1 1 52 52 ARG CA C 13 55.526 0.300 . 1 . . . . 52 ARG CA . 10129 1 586 . 1 1 52 52 ARG CB C 13 31.771 0.300 . 1 . . . . 52 ARG CB . 10129 1 587 . 1 1 52 52 ARG CG C 13 25.412 0.300 . 1 . . . . 52 ARG CG . 10129 1 588 . 1 1 52 52 ARG CD C 13 42.774 0.300 . 1 . . . . 52 ARG CD . 10129 1 589 . 1 1 52 52 ARG N N 15 110.468 0.300 . 1 . . . . 52 ARG N . 10129 1 590 . 1 1 52 52 ARG NE N 15 83.456 0.300 . 1 . . . . 52 ARG NE . 10129 1 591 . 1 1 53 53 TYR H H 1 8.391 0.030 . 1 . . . . 53 TYR H . 10129 1 592 . 1 1 53 53 TYR HA H 1 5.485 0.030 . 1 . . . . 53 TYR HA . 10129 1 593 . 1 1 53 53 TYR HB2 H 1 2.688 0.030 . 2 . . . . 53 TYR HB2 . 10129 1 594 . 1 1 53 53 TYR HB3 H 1 2.330 0.030 . 2 . . . . 53 TYR HB3 . 10129 1 595 . 1 1 53 53 TYR HD1 H 1 6.778 0.030 . 1 . . . . 53 TYR HD1 . 10129 1 596 . 1 1 53 53 TYR HD2 H 1 6.778 0.030 . 1 . . . . 53 TYR HD2 . 10129 1 597 . 1 1 53 53 TYR HE1 H 1 6.852 0.030 . 1 . . . . 53 TYR HE1 . 10129 1 598 . 1 1 53 53 TYR HE2 H 1 6.852 0.030 . 1 . . . . 53 TYR HE2 . 10129 1 599 . 1 1 53 53 TYR C C 13 174.433 0.300 . 1 . . . . 53 TYR C . 10129 1 600 . 1 1 53 53 TYR CA C 13 56.820 0.300 . 1 . . . . 53 TYR CA . 10129 1 601 . 1 1 53 53 TYR CB C 13 40.962 0.300 . 1 . . . . 53 TYR CB . 10129 1 602 . 1 1 53 53 TYR CD1 C 13 133.674 0.300 . 1 . . . . 53 TYR CD1 . 10129 1 603 . 1 1 53 53 TYR CD2 C 13 133.674 0.300 . 1 . . . . 53 TYR CD2 . 10129 1 604 . 1 1 53 53 TYR CE1 C 13 117.775 0.300 . 1 . . . . 53 TYR CE1 . 10129 1 605 . 1 1 53 53 TYR CE2 C 13 117.775 0.300 . 1 . . . . 53 TYR CE2 . 10129 1 606 . 1 1 53 53 TYR N N 15 113.541 0.300 . 1 . . . . 53 TYR N . 10129 1 607 . 1 1 54 54 ILE H H 1 8.446 0.030 . 1 . . . . 54 ILE H . 10129 1 608 . 1 1 54 54 ILE HA H 1 4.402 0.030 . 1 . . . . 54 ILE HA . 10129 1 609 . 1 1 54 54 ILE HB H 1 1.941 0.030 . 1 . . . . 54 ILE HB . 10129 1 610 . 1 1 54 54 ILE HG12 H 1 1.253 0.030 . 2 . . . . 54 ILE HG12 . 10129 1 611 . 1 1 54 54 ILE HG13 H 1 1.086 0.030 . 2 . . . . 54 ILE HG13 . 10129 1 612 . 1 1 54 54 ILE HG21 H 1 1.023 0.030 . 1 . . . . 54 ILE HG2 . 10129 1 613 . 1 1 54 54 ILE HG22 H 1 1.023 0.030 . 1 . . . . 54 ILE HG2 . 10129 1 614 . 1 1 54 54 ILE HG23 H 1 1.023 0.030 . 1 . . . . 54 ILE HG2 . 10129 1 615 . 1 1 54 54 ILE HD11 H 1 0.701 0.030 . 1 . . . . 54 ILE HD1 . 10129 1 616 . 1 1 54 54 ILE HD12 H 1 0.701 0.030 . 1 . . . . 54 ILE HD1 . 10129 1 617 . 1 1 54 54 ILE HD13 H 1 0.701 0.030 . 1 . . . . 54 ILE HD1 . 10129 1 618 . 1 1 54 54 ILE C C 13 174.590 0.300 . 1 . . . . 54 ILE C . 10129 1 619 . 1 1 54 54 ILE CA C 13 61.061 0.300 . 1 . . . . 54 ILE CA . 10129 1 620 . 1 1 54 54 ILE CB C 13 40.595 0.300 . 1 . . . . 54 ILE CB . 10129 1 621 . 1 1 54 54 ILE CG1 C 13 27.071 0.300 . 1 . . . . 54 ILE CG1 . 10129 1 622 . 1 1 54 54 ILE CG2 C 13 17.823 0.300 . 1 . . . . 54 ILE CG2 . 10129 1 623 . 1 1 54 54 ILE CD1 C 13 14.529 0.300 . 1 . . . . 54 ILE CD1 . 10129 1 624 . 1 1 54 54 ILE N N 15 118.766 0.300 . 1 . . . . 54 ILE N . 10129 1 625 . 1 1 55 55 LEU H H 1 8.922 0.030 . 1 . . . . 55 LEU H . 10129 1 626 . 1 1 55 55 LEU HA H 1 5.095 0.030 . 1 . . . . 55 LEU HA . 10129 1 627 . 1 1 55 55 LEU HB2 H 1 2.049 0.030 . 2 . . . . 55 LEU HB2 . 10129 1 628 . 1 1 55 55 LEU HB3 H 1 1.040 0.030 . 2 . . . . 55 LEU HB3 . 10129 1 629 . 1 1 55 55 LEU HG H 1 1.605 0.030 . 1 . . . . 55 LEU HG . 10129 1 630 . 1 1 55 55 LEU HD11 H 1 0.778 0.030 . 1 . . . . 55 LEU HD1 . 10129 1 631 . 1 1 55 55 LEU HD12 H 1 0.778 0.030 . 1 . . . . 55 LEU HD1 . 10129 1 632 . 1 1 55 55 LEU HD13 H 1 0.778 0.030 . 1 . . . . 55 LEU HD1 . 10129 1 633 . 1 1 55 55 LEU HD21 H 1 0.931 0.030 . 1 . . . . 55 LEU HD2 . 10129 1 634 . 1 1 55 55 LEU HD22 H 1 0.931 0.030 . 1 . . . . 55 LEU HD2 . 10129 1 635 . 1 1 55 55 LEU HD23 H 1 0.931 0.030 . 1 . . . . 55 LEU HD2 . 10129 1 636 . 1 1 55 55 LEU C C 13 175.641 0.300 . 1 . . . . 55 LEU C . 10129 1 637 . 1 1 55 55 LEU CA C 13 53.611 0.300 . 1 . . . . 55 LEU CA . 10129 1 638 . 1 1 55 55 LEU CB C 13 46.280 0.300 . 1 . . . . 55 LEU CB . 10129 1 639 . 1 1 55 55 LEU CG C 13 27.778 0.300 . 1 . . . . 55 LEU CG . 10129 1 640 . 1 1 55 55 LEU CD1 C 13 27.518 0.300 . 2 . . . . 55 LEU CD1 . 10129 1 641 . 1 1 55 55 LEU CD2 C 13 25.010 0.300 . 2 . . . . 55 LEU CD2 . 10129 1 642 . 1 1 55 55 LEU N N 15 127.221 0.300 . 1 . . . . 55 LEU N . 10129 1 643 . 1 1 56 56 GLU H H 1 9.419 0.030 . 1 . . . . 56 GLU H . 10129 1 644 . 1 1 56 56 GLU HA H 1 5.350 0.030 . 1 . . . . 56 GLU HA . 10129 1 645 . 1 1 56 56 GLU HB2 H 1 2.028 0.030 . 2 . . . . 56 GLU HB2 . 10129 1 646 . 1 1 56 56 GLU HB3 H 1 1.554 0.030 . 2 . . . . 56 GLU HB3 . 10129 1 647 . 1 1 56 56 GLU HG2 H 1 2.174 0.030 . 2 . . . . 56 GLU HG2 . 10129 1 648 . 1 1 56 56 GLU HG3 H 1 1.932 0.030 . 2 . . . . 56 GLU HG3 . 10129 1 649 . 1 1 56 56 GLU C C 13 174.933 0.300 . 1 . . . . 56 GLU C . 10129 1 650 . 1 1 56 56 GLU CA C 13 55.102 0.300 . 1 . . . . 56 GLU CA . 10129 1 651 . 1 1 56 56 GLU CB C 13 34.703 0.300 . 1 . . . . 56 GLU CB . 10129 1 652 . 1 1 56 56 GLU CG C 13 37.321 0.300 . 1 . . . . 56 GLU CG . 10129 1 653 . 1 1 56 56 GLU N N 15 127.231 0.300 . 1 . . . . 56 GLU N . 10129 1 654 . 1 1 57 57 MET H H 1 9.404 0.030 . 1 . . . . 57 MET H . 10129 1 655 . 1 1 57 57 MET HA H 1 5.494 0.030 . 1 . . . . 57 MET HA . 10129 1 656 . 1 1 57 57 MET HB2 H 1 2.074 0.030 . 2 . . . . 57 MET HB2 . 10129 1 657 . 1 1 57 57 MET HB3 H 1 1.876 0.030 . 2 . . . . 57 MET HB3 . 10129 1 658 . 1 1 57 57 MET HG2 H 1 2.241 0.030 . 2 . . . . 57 MET HG2 . 10129 1 659 . 1 1 57 57 MET HG3 H 1 2.172 0.030 . 2 . . . . 57 MET HG3 . 10129 1 660 . 1 1 57 57 MET HE1 H 1 2.108 0.030 . 1 . . . . 57 MET HE . 10129 1 661 . 1 1 57 57 MET HE2 H 1 2.108 0.030 . 1 . . . . 57 MET HE . 10129 1 662 . 1 1 57 57 MET HE3 H 1 2.108 0.030 . 1 . . . . 57 MET HE . 10129 1 663 . 1 1 57 57 MET C C 13 173.507 0.300 . 1 . . . . 57 MET C . 10129 1 664 . 1 1 57 57 MET CA C 13 54.076 0.300 . 1 . . . . 57 MET CA . 10129 1 665 . 1 1 57 57 MET CB C 13 39.447 0.300 . 1 . . . . 57 MET CB . 10129 1 666 . 1 1 57 57 MET CG C 13 31.739 0.300 . 1 . . . . 57 MET CG . 10129 1 667 . 1 1 57 57 MET CE C 13 17.831 0.300 . 1 . . . . 57 MET CE . 10129 1 668 . 1 1 57 57 MET N N 15 118.328 0.300 . 1 . . . . 57 MET N . 10129 1 669 . 1 1 58 58 SER H H 1 8.148 0.030 . 1 . . . . 58 SER H . 10129 1 670 . 1 1 58 58 SER HA H 1 4.273 0.030 . 1 . . . . 58 SER HA . 10129 1 671 . 1 1 58 58 SER HB2 H 1 2.019 0.030 . 2 . . . . 58 SER HB2 . 10129 1 672 . 1 1 58 58 SER HB3 H 1 1.461 0.030 . 2 . . . . 58 SER HB3 . 10129 1 673 . 1 1 58 58 SER C C 13 174.632 0.300 . 1 . . . . 58 SER C . 10129 1 674 . 1 1 58 58 SER CA C 13 55.934 0.300 . 1 . . . . 58 SER CA . 10129 1 675 . 1 1 58 58 SER CB C 13 62.170 0.300 . 1 . . . . 58 SER CB . 10129 1 676 . 1 1 58 58 SER N N 15 119.137 0.300 . 1 . . . . 58 SER N . 10129 1 677 . 1 1 59 59 GLU H H 1 8.429 0.030 . 1 . . . . 59 GLU H . 10129 1 678 . 1 1 59 59 GLU HA H 1 4.498 0.030 . 1 . . . . 59 GLU HA . 10129 1 679 . 1 1 59 59 GLU HB2 H 1 1.879 0.030 . 2 . . . . 59 GLU HB2 . 10129 1 680 . 1 1 59 59 GLU HB3 H 1 1.838 0.030 . 2 . . . . 59 GLU HB3 . 10129 1 681 . 1 1 59 59 GLU HG2 H 1 1.698 0.030 . 2 . . . . 59 GLU HG2 . 10129 1 682 . 1 1 59 59 GLU HG3 H 1 1.586 0.030 . 2 . . . . 59 GLU HG3 . 10129 1 683 . 1 1 59 59 GLU C C 13 176.031 0.300 . 1 . . . . 59 GLU C . 10129 1 684 . 1 1 59 59 GLU CA C 13 53.440 0.300 . 1 . . . . 59 GLU CA . 10129 1 685 . 1 1 59 59 GLU CB C 13 32.106 0.300 . 1 . . . . 59 GLU CB . 10129 1 686 . 1 1 59 59 GLU CG C 13 36.831 0.300 . 1 . . . . 59 GLU CG . 10129 1 687 . 1 1 59 59 GLU N N 15 133.001 0.300 . 1 . . . . 59 GLU N . 10129 1 688 . 1 1 60 60 ASN H H 1 9.663 0.030 . 1 . . . . 60 ASN H . 10129 1 689 . 1 1 60 60 ASN HA H 1 4.070 0.030 . 1 . . . . 60 ASN HA . 10129 1 690 . 1 1 60 60 ASN HB2 H 1 3.114 0.030 . 2 . . . . 60 ASN HB2 . 10129 1 691 . 1 1 60 60 ASN HB3 H 1 2.542 0.030 . 2 . . . . 60 ASN HB3 . 10129 1 692 . 1 1 60 60 ASN HD21 H 1 7.530 0.030 . 2 . . . . 60 ASN HD21 . 10129 1 693 . 1 1 60 60 ASN HD22 H 1 6.853 0.030 . 2 . . . . 60 ASN HD22 . 10129 1 694 . 1 1 60 60 ASN C C 13 174.327 0.300 . 1 . . . . 60 ASN C . 10129 1 695 . 1 1 60 60 ASN CA C 13 53.895 0.300 . 1 . . . . 60 ASN CA . 10129 1 696 . 1 1 60 60 ASN CB C 13 36.748 0.300 . 1 . . . . 60 ASN CB . 10129 1 697 . 1 1 60 60 ASN N N 15 129.213 0.300 . 1 . . . . 60 ASN N . 10129 1 698 . 1 1 60 60 ASN ND2 N 15 110.073 0.300 . 1 . . . . 60 ASN ND2 . 10129 1 699 . 1 1 61 61 ASN H H 1 8.481 0.030 . 1 . . . . 61 ASN H . 10129 1 700 . 1 1 61 61 ASN HA H 1 3.894 0.030 . 1 . . . . 61 ASN HA . 10129 1 701 . 1 1 61 61 ASN HB2 H 1 2.858 0.030 . 2 . . . . 61 ASN HB2 . 10129 1 702 . 1 1 61 61 ASN HB3 H 1 2.744 0.030 . 2 . . . . 61 ASN HB3 . 10129 1 703 . 1 1 61 61 ASN HD21 H 1 7.307 0.030 . 2 . . . . 61 ASN HD21 . 10129 1 704 . 1 1 61 61 ASN HD22 H 1 6.592 0.030 . 2 . . . . 61 ASN HD22 . 10129 1 705 . 1 1 61 61 ASN C C 13 173.774 0.300 . 1 . . . . 61 ASN C . 10129 1 706 . 1 1 61 61 ASN CA C 13 54.510 0.300 . 1 . . . . 61 ASN CA . 10129 1 707 . 1 1 61 61 ASN CB C 13 37.290 0.300 . 1 . . . . 61 ASN CB . 10129 1 708 . 1 1 61 61 ASN N N 15 109.142 0.300 . 1 . . . . 61 ASN N . 10129 1 709 . 1 1 61 61 ASN ND2 N 15 112.217 0.300 . 1 . . . . 61 ASN ND2 . 10129 1 710 . 1 1 62 62 ALA H H 1 7.363 0.030 . 1 . . . . 62 ALA H . 10129 1 711 . 1 1 62 62 ALA HA H 1 4.361 0.030 . 1 . . . . 62 ALA HA . 10129 1 712 . 1 1 62 62 ALA HB1 H 1 1.472 0.030 . 1 . . . . 62 ALA HB . 10129 1 713 . 1 1 62 62 ALA HB2 H 1 1.472 0.030 . 1 . . . . 62 ALA HB . 10129 1 714 . 1 1 62 62 ALA HB3 H 1 1.472 0.030 . 1 . . . . 62 ALA HB . 10129 1 715 . 1 1 62 62 ALA C C 13 174.897 0.300 . 1 . . . . 62 ALA C . 10129 1 716 . 1 1 62 62 ALA CA C 13 51.201 0.300 . 1 . . . . 62 ALA CA . 10129 1 717 . 1 1 62 62 ALA CB C 13 17.230 0.300 . 1 . . . . 62 ALA CB . 10129 1 718 . 1 1 62 62 ALA N N 15 122.663 0.300 . 1 . . . . 62 ALA N . 10129 1 719 . 1 1 63 63 PRO HA H 1 4.085 0.030 . 1 . . . . 63 PRO HA . 10129 1 720 . 1 1 63 63 PRO HB2 H 1 2.328 0.030 . 2 . . . . 63 PRO HB2 . 10129 1 721 . 1 1 63 63 PRO HB3 H 1 1.706 0.030 . 2 . . . . 63 PRO HB3 . 10129 1 722 . 1 1 63 63 PRO HG2 H 1 2.076 0.030 . 2 . . . . 63 PRO HG2 . 10129 1 723 . 1 1 63 63 PRO HG3 H 1 1.928 0.030 . 2 . . . . 63 PRO HG3 . 10129 1 724 . 1 1 63 63 PRO HD2 H 1 3.731 0.030 . 2 . . . . 63 PRO HD2 . 10129 1 725 . 1 1 63 63 PRO HD3 H 1 3.522 0.030 . 2 . . . . 63 PRO HD3 . 10129 1 726 . 1 1 63 63 PRO C C 13 176.066 0.300 . 1 . . . . 63 PRO C . 10129 1 727 . 1 1 63 63 PRO CA C 13 63.749 0.300 . 1 . . . . 63 PRO CA . 10129 1 728 . 1 1 63 63 PRO CB C 13 31.939 0.300 . 1 . . . . 63 PRO CB . 10129 1 729 . 1 1 63 63 PRO CG C 13 27.942 0.300 . 1 . . . . 63 PRO CG . 10129 1 730 . 1 1 63 63 PRO CD C 13 50.497 0.300 . 1 . . . . 63 PRO CD . 10129 1 731 . 1 1 64 64 TRP H H 1 7.290 0.030 . 1 . . . . 64 TRP H . 10129 1 732 . 1 1 64 64 TRP HA H 1 4.217 0.030 . 1 . . . . 64 TRP HA . 10129 1 733 . 1 1 64 64 TRP HB2 H 1 3.037 0.030 . 2 . . . . 64 TRP HB2 . 10129 1 734 . 1 1 64 64 TRP HB3 H 1 2.632 0.030 . 2 . . . . 64 TRP HB3 . 10129 1 735 . 1 1 64 64 TRP HD1 H 1 7.215 0.030 . 1 . . . . 64 TRP HD1 . 10129 1 736 . 1 1 64 64 TRP HE1 H 1 9.905 0.030 . 1 . . . . 64 TRP HE1 . 10129 1 737 . 1 1 64 64 TRP HE3 H 1 6.962 0.030 . 1 . . . . 64 TRP HE3 . 10129 1 738 . 1 1 64 64 TRP HZ2 H 1 7.324 0.030 . 1 . . . . 64 TRP HZ2 . 10129 1 739 . 1 1 64 64 TRP HH2 H 1 6.488 0.030 . 1 . . . . 64 TRP HH2 . 10129 1 740 . 1 1 64 64 TRP C C 13 177.333 0.300 . 1 . . . . 64 TRP C . 10129 1 741 . 1 1 64 64 TRP CA C 13 57.808 0.300 . 1 . . . . 64 TRP CA . 10129 1 742 . 1 1 64 64 TRP CB C 13 30.134 0.300 . 1 . . . . 64 TRP CB . 10129 1 743 . 1 1 64 64 TRP CD1 C 13 127.460 0.300 . 1 . . . . 64 TRP CD1 . 10129 1 744 . 1 1 64 64 TRP CE3 C 13 119.410 0.300 . 1 . . . . 64 TRP CE3 . 10129 1 745 . 1 1 64 64 TRP CZ2 C 13 114.850 0.300 . 1 . . . . 64 TRP CZ2 . 10129 1 746 . 1 1 64 64 TRP CZ3 C 13 121.644 0.300 . 1 . . . . 64 TRP CZ3 . 10129 1 747 . 1 1 64 64 TRP CH2 C 13 122.421 0.300 . 1 . . . . 64 TRP CH2 . 10129 1 748 . 1 1 64 64 TRP N N 15 123.356 0.300 . 1 . . . . 64 TRP N . 10129 1 749 . 1 1 64 64 TRP NE1 N 15 129.025 0.300 . 1 . . . . 64 TRP NE1 . 10129 1 750 . 1 1 65 65 THR H H 1 9.095 0.030 . 1 . . . . 65 THR H . 10129 1 751 . 1 1 65 65 THR HA H 1 4.818 0.030 . 1 . . . . 65 THR HA . 10129 1 752 . 1 1 65 65 THR HB H 1 4.070 0.030 . 1 . . . . 65 THR HB . 10129 1 753 . 1 1 65 65 THR HG21 H 1 1.232 0.030 . 1 . . . . 65 THR HG2 . 10129 1 754 . 1 1 65 65 THR HG22 H 1 1.232 0.030 . 1 . . . . 65 THR HG2 . 10129 1 755 . 1 1 65 65 THR HG23 H 1 1.232 0.030 . 1 . . . . 65 THR HG2 . 10129 1 756 . 1 1 65 65 THR C C 13 173.538 0.300 . 1 . . . . 65 THR C . 10129 1 757 . 1 1 65 65 THR CA C 13 59.910 0.300 . 1 . . . . 65 THR CA . 10129 1 758 . 1 1 65 65 THR CB C 13 71.826 0.300 . 1 . . . . 65 THR CB . 10129 1 759 . 1 1 65 65 THR CG2 C 13 20.619 0.300 . 1 . . . . 65 THR CG2 . 10129 1 760 . 1 1 65 65 THR N N 15 117.018 0.300 . 1 . . . . 65 THR N . 10129 1 761 . 1 1 66 66 VAL H H 1 8.730 0.030 . 1 . . . . 66 VAL H . 10129 1 762 . 1 1 66 66 VAL HA H 1 3.867 0.030 . 1 . . . . 66 VAL HA . 10129 1 763 . 1 1 66 66 VAL HB H 1 2.088 0.030 . 1 . . . . 66 VAL HB . 10129 1 764 . 1 1 66 66 VAL HG11 H 1 1.117 0.030 . 1 . . . . 66 VAL HG1 . 10129 1 765 . 1 1 66 66 VAL HG12 H 1 1.117 0.030 . 1 . . . . 66 VAL HG1 . 10129 1 766 . 1 1 66 66 VAL HG13 H 1 1.117 0.030 . 1 . . . . 66 VAL HG1 . 10129 1 767 . 1 1 66 66 VAL HG21 H 1 0.840 0.030 . 1 . . . . 66 VAL HG2 . 10129 1 768 . 1 1 66 66 VAL HG22 H 1 0.840 0.030 . 1 . . . . 66 VAL HG2 . 10129 1 769 . 1 1 66 66 VAL HG23 H 1 0.840 0.030 . 1 . . . . 66 VAL HG2 . 10129 1 770 . 1 1 66 66 VAL C C 13 175.078 0.300 . 1 . . . . 66 VAL C . 10129 1 771 . 1 1 66 66 VAL CA C 13 65.399 0.300 . 1 . . . . 66 VAL CA . 10129 1 772 . 1 1 66 66 VAL CB C 13 31.828 0.300 . 1 . . . . 66 VAL CB . 10129 1 773 . 1 1 66 66 VAL CG1 C 13 22.682 0.300 . 2 . . . . 66 VAL CG1 . 10129 1 774 . 1 1 66 66 VAL CG2 C 13 20.970 0.300 . 2 . . . . 66 VAL CG2 . 10129 1 775 . 1 1 66 66 VAL N N 15 125.230 0.300 . 1 . . . . 66 VAL N . 10129 1 776 . 1 1 67 67 LEU H H 1 9.260 0.030 . 1 . . . . 67 LEU H . 10129 1 777 . 1 1 67 67 LEU HA H 1 4.768 0.030 . 1 . . . . 67 LEU HA . 10129 1 778 . 1 1 67 67 LEU HB2 H 1 1.681 0.030 . 2 . . . . 67 LEU HB2 . 10129 1 779 . 1 1 67 67 LEU HB3 H 1 1.528 0.030 . 2 . . . . 67 LEU HB3 . 10129 1 780 . 1 1 67 67 LEU HG H 1 1.630 0.030 . 1 . . . . 67 LEU HG . 10129 1 781 . 1 1 67 67 LEU HD11 H 1 1.186 0.030 . 1 . . . . 67 LEU HD1 . 10129 1 782 . 1 1 67 67 LEU HD12 H 1 1.186 0.030 . 1 . . . . 67 LEU HD1 . 10129 1 783 . 1 1 67 67 LEU HD13 H 1 1.186 0.030 . 1 . . . . 67 LEU HD1 . 10129 1 784 . 1 1 67 67 LEU HD21 H 1 1.118 0.030 . 1 . . . . 67 LEU HD2 . 10129 1 785 . 1 1 67 67 LEU HD22 H 1 1.118 0.030 . 1 . . . . 67 LEU HD2 . 10129 1 786 . 1 1 67 67 LEU HD23 H 1 1.118 0.030 . 1 . . . . 67 LEU HD2 . 10129 1 787 . 1 1 67 67 LEU C C 13 176.065 0.300 . 1 . . . . 67 LEU C . 10129 1 788 . 1 1 67 67 LEU CA C 13 55.910 0.300 . 1 . . . . 67 LEU CA . 10129 1 789 . 1 1 67 67 LEU CB C 13 44.928 0.300 . 1 . . . . 67 LEU CB . 10129 1 790 . 1 1 67 67 LEU CG C 13 27.728 0.300 . 1 . . . . 67 LEU CG . 10129 1 791 . 1 1 67 67 LEU CD1 C 13 27.000 0.300 . 2 . . . . 67 LEU CD1 . 10129 1 792 . 1 1 67 67 LEU CD2 C 13 22.678 0.300 . 2 . . . . 67 LEU CD2 . 10129 1 793 . 1 1 67 67 LEU N N 15 131.736 0.300 . 1 . . . . 67 LEU N . 10129 1 794 . 1 1 68 68 LEU H H 1 7.571 0.030 . 1 . . . . 68 LEU H . 10129 1 795 . 1 1 68 68 LEU HA H 1 4.872 0.030 . 1 . . . . 68 LEU HA . 10129 1 796 . 1 1 68 68 LEU HB2 H 1 1.712 0.030 . 2 . . . . 68 LEU HB2 . 10129 1 797 . 1 1 68 68 LEU HB3 H 1 1.521 0.030 . 2 . . . . 68 LEU HB3 . 10129 1 798 . 1 1 68 68 LEU HG H 1 1.538 0.030 . 1 . . . . 68 LEU HG . 10129 1 799 . 1 1 68 68 LEU HD11 H 1 0.967 0.030 . 1 . . . . 68 LEU HD1 . 10129 1 800 . 1 1 68 68 LEU HD12 H 1 0.967 0.030 . 1 . . . . 68 LEU HD1 . 10129 1 801 . 1 1 68 68 LEU HD13 H 1 0.967 0.030 . 1 . . . . 68 LEU HD1 . 10129 1 802 . 1 1 68 68 LEU HD21 H 1 1.042 0.030 . 1 . . . . 68 LEU HD2 . 10129 1 803 . 1 1 68 68 LEU HD22 H 1 1.042 0.030 . 1 . . . . 68 LEU HD2 . 10129 1 804 . 1 1 68 68 LEU HD23 H 1 1.042 0.030 . 1 . . . . 68 LEU HD2 . 10129 1 805 . 1 1 68 68 LEU C C 13 174.685 0.300 . 1 . . . . 68 LEU C . 10129 1 806 . 1 1 68 68 LEU CA C 13 53.624 0.300 . 1 . . . . 68 LEU CA . 10129 1 807 . 1 1 68 68 LEU CB C 13 44.575 0.300 . 1 . . . . 68 LEU CB . 10129 1 808 . 1 1 68 68 LEU CG C 13 26.941 0.300 . 1 . . . . 68 LEU CG . 10129 1 809 . 1 1 68 68 LEU CD1 C 13 26.170 0.300 . 2 . . . . 68 LEU CD1 . 10129 1 810 . 1 1 68 68 LEU CD2 C 13 23.275 0.300 . 2 . . . . 68 LEU CD2 . 10129 1 811 . 1 1 68 68 LEU N N 15 116.379 0.300 . 1 . . . . 68 LEU N . 10129 1 812 . 1 1 69 69 ALA H H 1 8.697 0.030 . 1 . . . . 69 ALA H . 10129 1 813 . 1 1 69 69 ALA HA H 1 4.255 0.030 . 1 . . . . 69 ALA HA . 10129 1 814 . 1 1 69 69 ALA HB1 H 1 1.399 0.030 . 1 . . . . 69 ALA HB . 10129 1 815 . 1 1 69 69 ALA HB2 H 1 1.399 0.030 . 1 . . . . 69 ALA HB . 10129 1 816 . 1 1 69 69 ALA HB3 H 1 1.399 0.030 . 1 . . . . 69 ALA HB . 10129 1 817 . 1 1 69 69 ALA C C 13 176.397 0.300 . 1 . . . . 69 ALA C . 10129 1 818 . 1 1 69 69 ALA CA C 13 52.971 0.300 . 1 . . . . 69 ALA CA . 10129 1 819 . 1 1 69 69 ALA CB C 13 19.406 0.300 . 1 . . . . 69 ALA CB . 10129 1 820 . 1 1 69 69 ALA N N 15 125.191 0.300 . 1 . . . . 69 ALA N . 10129 1 821 . 1 1 70 70 SER H H 1 8.008 0.030 . 1 . . . . 70 SER H . 10129 1 822 . 1 1 70 70 SER HA H 1 4.670 0.030 . 1 . . . . 70 SER HA . 10129 1 823 . 1 1 70 70 SER HB2 H 1 3.866 0.030 . 2 . . . . 70 SER HB2 . 10129 1 824 . 1 1 70 70 SER HB3 H 1 3.577 0.030 . 2 . . . . 70 SER HB3 . 10129 1 825 . 1 1 70 70 SER C C 13 173.825 0.300 . 1 . . . . 70 SER C . 10129 1 826 . 1 1 70 70 SER CA C 13 56.650 0.300 . 1 . . . . 70 SER CA . 10129 1 827 . 1 1 70 70 SER CB C 13 62.889 0.300 . 1 . . . . 70 SER CB . 10129 1 828 . 1 1 70 70 SER N N 15 110.233 0.300 . 1 . . . . 70 SER N . 10129 1 829 . 1 1 71 71 VAL H H 1 8.692 0.030 . 1 . . . . 71 VAL H . 10129 1 830 . 1 1 71 71 VAL HA H 1 4.065 0.030 . 1 . . . . 71 VAL HA . 10129 1 831 . 1 1 71 71 VAL HB H 1 2.028 0.030 . 1 . . . . 71 VAL HB . 10129 1 832 . 1 1 71 71 VAL HG11 H 1 0.880 0.030 . 1 . . . . 71 VAL HG1 . 10129 1 833 . 1 1 71 71 VAL HG12 H 1 0.880 0.030 . 1 . . . . 71 VAL HG1 . 10129 1 834 . 1 1 71 71 VAL HG13 H 1 0.880 0.030 . 1 . . . . 71 VAL HG1 . 10129 1 835 . 1 1 71 71 VAL HG21 H 1 1.188 0.030 . 1 . . . . 71 VAL HG2 . 10129 1 836 . 1 1 71 71 VAL HG22 H 1 1.188 0.030 . 1 . . . . 71 VAL HG2 . 10129 1 837 . 1 1 71 71 VAL HG23 H 1 1.188 0.030 . 1 . . . . 71 VAL HG2 . 10129 1 838 . 1 1 71 71 VAL C C 13 175.643 0.300 . 1 . . . . 71 VAL C . 10129 1 839 . 1 1 71 71 VAL CA C 13 62.578 0.300 . 1 . . . . 71 VAL CA . 10129 1 840 . 1 1 71 71 VAL CB C 13 33.046 0.300 . 1 . . . . 71 VAL CB . 10129 1 841 . 1 1 71 71 VAL CG1 C 13 22.906 0.300 . 2 . . . . 71 VAL CG1 . 10129 1 842 . 1 1 71 71 VAL CG2 C 13 20.661 0.300 . 2 . . . . 71 VAL CG2 . 10129 1 843 . 1 1 71 71 VAL N N 15 127.453 0.300 . 1 . . . . 71 VAL N . 10129 1 844 . 1 1 72 72 ASP H H 1 8.520 0.030 . 1 . . . . 72 ASP H . 10129 1 845 . 1 1 72 72 ASP HA H 1 4.666 0.030 . 1 . . . . 72 ASP HA . 10129 1 846 . 1 1 72 72 ASP HB2 H 1 2.897 0.030 . 1 . . . . 72 ASP HB2 . 10129 1 847 . 1 1 72 72 ASP HB3 H 1 2.897 0.030 . 1 . . . . 72 ASP HB3 . 10129 1 848 . 1 1 72 72 ASP C C 13 175.602 0.300 . 1 . . . . 72 ASP C . 10129 1 849 . 1 1 72 72 ASP CA C 13 52.493 0.300 . 1 . . . . 72 ASP CA . 10129 1 850 . 1 1 72 72 ASP CB C 13 43.249 0.300 . 1 . . . . 72 ASP CB . 10129 1 851 . 1 1 72 72 ASP N N 15 128.086 0.300 . 1 . . . . 72 ASP N . 10129 1 852 . 1 1 73 73 PRO HA H 1 4.441 0.030 . 1 . . . . 73 PRO HA . 10129 1 853 . 1 1 73 73 PRO HB2 H 1 1.830 0.030 . 2 . . . . 73 PRO HB2 . 10129 1 854 . 1 1 73 73 PRO HB3 H 1 1.332 0.030 . 2 . . . . 73 PRO HB3 . 10129 1 855 . 1 1 73 73 PRO HG2 H 1 1.893 0.030 . 2 . . . . 73 PRO HG2 . 10129 1 856 . 1 1 73 73 PRO HG3 H 1 1.839 0.030 . 2 . . . . 73 PRO HG3 . 10129 1 857 . 1 1 73 73 PRO HD2 H 1 4.164 0.030 . 2 . . . . 73 PRO HD2 . 10129 1 858 . 1 1 73 73 PRO HD3 H 1 3.785 0.030 . 2 . . . . 73 PRO HD3 . 10129 1 859 . 1 1 73 73 PRO C C 13 178.789 0.300 . 1 . . . . 73 PRO C . 10129 1 860 . 1 1 73 73 PRO CA C 13 63.774 0.300 . 1 . . . . 73 PRO CA . 10129 1 861 . 1 1 73 73 PRO CB C 13 32.897 0.300 . 1 . . . . 73 PRO CB . 10129 1 862 . 1 1 73 73 PRO CG C 13 27.507 0.300 . 1 . . . . 73 PRO CG . 10129 1 863 . 1 1 73 73 PRO CD C 13 50.678 0.300 . 1 . . . . 73 PRO CD . 10129 1 864 . 1 1 74 74 LYS H H 1 9.153 0.030 . 1 . . . . 74 LYS H . 10129 1 865 . 1 1 74 74 LYS HA H 1 4.381 0.030 . 1 . . . . 74 LYS HA . 10129 1 866 . 1 1 74 74 LYS HB2 H 1 1.978 0.030 . 2 . . . . 74 LYS HB2 . 10129 1 867 . 1 1 74 74 LYS HB3 H 1 1.917 0.030 . 2 . . . . 74 LYS HB3 . 10129 1 868 . 1 1 74 74 LYS HG2 H 1 1.488 0.030 . 1 . . . . 74 LYS HG2 . 10129 1 869 . 1 1 74 74 LYS HG3 H 1 1.488 0.030 . 1 . . . . 74 LYS HG3 . 10129 1 870 . 1 1 74 74 LYS HD2 H 1 1.754 0.030 . 1 . . . . 74 LYS HD2 . 10129 1 871 . 1 1 74 74 LYS HD3 H 1 1.754 0.030 . 1 . . . . 74 LYS HD3 . 10129 1 872 . 1 1 74 74 LYS HE2 H 1 3.051 0.030 . 1 . . . . 74 LYS HE2 . 10129 1 873 . 1 1 74 74 LYS HE3 H 1 3.051 0.030 . 1 . . . . 74 LYS HE3 . 10129 1 874 . 1 1 74 74 LYS C C 13 176.780 0.300 . 1 . . . . 74 LYS C . 10129 1 875 . 1 1 74 74 LYS CA C 13 56.555 0.300 . 1 . . . . 74 LYS CA . 10129 1 876 . 1 1 74 74 LYS CB C 13 32.025 0.300 . 1 . . . . 74 LYS CB . 10129 1 877 . 1 1 74 74 LYS CG C 13 25.403 0.300 . 1 . . . . 74 LYS CG . 10129 1 878 . 1 1 74 74 LYS CD C 13 28.866 0.300 . 1 . . . . 74 LYS CD . 10129 1 879 . 1 1 74 74 LYS CE C 13 41.794 0.300 . 1 . . . . 74 LYS CE . 10129 1 880 . 1 1 74 74 LYS N N 15 122.884 0.300 . 1 . . . . 74 LYS N . 10129 1 881 . 1 1 75 75 ALA H H 1 8.182 0.030 . 1 . . . . 75 ALA H . 10129 1 882 . 1 1 75 75 ALA HA H 1 4.396 0.030 . 1 . . . . 75 ALA HA . 10129 1 883 . 1 1 75 75 ALA HB1 H 1 1.771 0.030 . 1 . . . . 75 ALA HB . 10129 1 884 . 1 1 75 75 ALA HB2 H 1 1.771 0.030 . 1 . . . . 75 ALA HB . 10129 1 885 . 1 1 75 75 ALA HB3 H 1 1.771 0.030 . 1 . . . . 75 ALA HB . 10129 1 886 . 1 1 75 75 ALA C C 13 178.298 0.300 . 1 . . . . 75 ALA C . 10129 1 887 . 1 1 75 75 ALA CA C 13 52.911 0.300 . 1 . . . . 75 ALA CA . 10129 1 888 . 1 1 75 75 ALA CB C 13 20.517 0.300 . 1 . . . . 75 ALA CB . 10129 1 889 . 1 1 75 75 ALA N N 15 123.907 0.300 . 1 . . . . 75 ALA N . 10129 1 890 . 1 1 76 76 THR H H 1 8.368 0.030 . 1 . . . . 76 THR H . 10129 1 891 . 1 1 76 76 THR HA H 1 2.847 0.030 . 1 . . . . 76 THR HA . 10129 1 892 . 1 1 76 76 THR HB H 1 4.453 0.030 . 1 . . . . 76 THR HB . 10129 1 893 . 1 1 76 76 THR HG21 H 1 0.921 0.030 . 1 . . . . 76 THR HG2 . 10129 1 894 . 1 1 76 76 THR HG22 H 1 0.921 0.030 . 1 . . . . 76 THR HG2 . 10129 1 895 . 1 1 76 76 THR HG23 H 1 0.921 0.030 . 1 . . . . 76 THR HG2 . 10129 1 896 . 1 1 76 76 THR C C 13 171.264 0.300 . 1 . . . . 76 THR C . 10129 1 897 . 1 1 76 76 THR CA C 13 59.832 0.300 . 1 . . . . 76 THR CA . 10129 1 898 . 1 1 76 76 THR CB C 13 68.440 0.300 . 1 . . . . 76 THR CB . 10129 1 899 . 1 1 76 76 THR CG2 C 13 22.264 0.300 . 1 . . . . 76 THR CG2 . 10129 1 900 . 1 1 76 76 THR N N 15 109.337 0.300 . 1 . . . . 76 THR N . 10129 1 901 . 1 1 77 77 SER H H 1 6.649 0.030 . 1 . . . . 77 SER H . 10129 1 902 . 1 1 77 77 SER HA H 1 4.819 0.030 . 1 . . . . 77 SER HA . 10129 1 903 . 1 1 77 77 SER HB2 H 1 3.696 0.030 . 2 . . . . 77 SER HB2 . 10129 1 904 . 1 1 77 77 SER HB3 H 1 3.628 0.030 . 2 . . . . 77 SER HB3 . 10129 1 905 . 1 1 77 77 SER C C 13 173.294 0.300 . 1 . . . . 77 SER C . 10129 1 906 . 1 1 77 77 SER CA C 13 56.596 0.300 . 1 . . . . 77 SER CA . 10129 1 907 . 1 1 77 77 SER CB C 13 65.619 0.300 . 1 . . . . 77 SER CB . 10129 1 908 . 1 1 77 77 SER N N 15 113.140 0.300 . 1 . . . . 77 SER N . 10129 1 909 . 1 1 78 78 VAL H H 1 8.631 0.030 . 1 . . . . 78 VAL H . 10129 1 910 . 1 1 78 78 VAL HA H 1 4.456 0.030 . 1 . . . . 78 VAL HA . 10129 1 911 . 1 1 78 78 VAL HB H 1 2.301 0.030 . 1 . . . . 78 VAL HB . 10129 1 912 . 1 1 78 78 VAL HG11 H 1 1.046 0.030 . 1 . . . . 78 VAL HG1 . 10129 1 913 . 1 1 78 78 VAL HG12 H 1 1.046 0.030 . 1 . . . . 78 VAL HG1 . 10129 1 914 . 1 1 78 78 VAL HG13 H 1 1.046 0.030 . 1 . . . . 78 VAL HG1 . 10129 1 915 . 1 1 78 78 VAL HG21 H 1 0.921 0.030 . 1 . . . . 78 VAL HG2 . 10129 1 916 . 1 1 78 78 VAL HG22 H 1 0.921 0.030 . 1 . . . . 78 VAL HG2 . 10129 1 917 . 1 1 78 78 VAL HG23 H 1 0.921 0.030 . 1 . . . . 78 VAL HG2 . 10129 1 918 . 1 1 78 78 VAL C C 13 172.607 0.300 . 1 . . . . 78 VAL C . 10129 1 919 . 1 1 78 78 VAL CA C 13 61.721 0.300 . 1 . . . . 78 VAL CA . 10129 1 920 . 1 1 78 78 VAL CB C 13 35.510 0.300 . 1 . . . . 78 VAL CB . 10129 1 921 . 1 1 78 78 VAL CG1 C 13 21.550 0.300 . 2 . . . . 78 VAL CG1 . 10129 1 922 . 1 1 78 78 VAL CG2 C 13 20.910 0.300 . 2 . . . . 78 VAL CG2 . 10129 1 923 . 1 1 78 78 VAL N N 15 117.612 0.300 . 1 . . . . 78 VAL N . 10129 1 924 . 1 1 79 79 THR H H 1 8.487 0.030 . 1 . . . . 79 THR H . 10129 1 925 . 1 1 79 79 THR HA H 1 5.091 0.030 . 1 . . . . 79 THR HA . 10129 1 926 . 1 1 79 79 THR HB H 1 3.844 0.030 . 1 . . . . 79 THR HB . 10129 1 927 . 1 1 79 79 THR HG21 H 1 1.045 0.030 . 1 . . . . 79 THR HG2 . 10129 1 928 . 1 1 79 79 THR HG22 H 1 1.045 0.030 . 1 . . . . 79 THR HG2 . 10129 1 929 . 1 1 79 79 THR HG23 H 1 1.045 0.030 . 1 . . . . 79 THR HG2 . 10129 1 930 . 1 1 79 79 THR C C 13 173.494 0.300 . 1 . . . . 79 THR C . 10129 1 931 . 1 1 79 79 THR CA C 13 62.119 0.300 . 1 . . . . 79 THR CA . 10129 1 932 . 1 1 79 79 THR CB C 13 70.264 0.300 . 1 . . . . 79 THR CB . 10129 1 933 . 1 1 79 79 THR CG2 C 13 22.000 0.300 . 1 . . . . 79 THR CG2 . 10129 1 934 . 1 1 79 79 THR N N 15 122.654 0.300 . 1 . . . . 79 THR N . 10129 1 935 . 1 1 80 80 VAL H H 1 9.280 0.030 . 1 . . . . 80 VAL H . 10129 1 936 . 1 1 80 80 VAL HA H 1 4.129 0.030 . 1 . . . . 80 VAL HA . 10129 1 937 . 1 1 80 80 VAL HB H 1 1.876 0.030 . 1 . . . . 80 VAL HB . 10129 1 938 . 1 1 80 80 VAL HG11 H 1 0.891 0.030 . 1 . . . . 80 VAL HG1 . 10129 1 939 . 1 1 80 80 VAL HG12 H 1 0.891 0.030 . 1 . . . . 80 VAL HG1 . 10129 1 940 . 1 1 80 80 VAL HG13 H 1 0.891 0.030 . 1 . . . . 80 VAL HG1 . 10129 1 941 . 1 1 80 80 VAL HG21 H 1 0.588 0.030 . 1 . . . . 80 VAL HG2 . 10129 1 942 . 1 1 80 80 VAL HG22 H 1 0.588 0.030 . 1 . . . . 80 VAL HG2 . 10129 1 943 . 1 1 80 80 VAL HG23 H 1 0.588 0.030 . 1 . . . . 80 VAL HG2 . 10129 1 944 . 1 1 80 80 VAL C C 13 174.342 0.300 . 1 . . . . 80 VAL C . 10129 1 945 . 1 1 80 80 VAL CA C 13 61.606 0.300 . 1 . . . . 80 VAL CA . 10129 1 946 . 1 1 80 80 VAL CB C 13 32.631 0.300 . 1 . . . . 80 VAL CB . 10129 1 947 . 1 1 80 80 VAL CG1 C 13 22.748 0.300 . 2 . . . . 80 VAL CG1 . 10129 1 948 . 1 1 80 80 VAL CG2 C 13 20.364 0.300 . 2 . . . . 80 VAL CG2 . 10129 1 949 . 1 1 80 80 VAL N N 15 128.067 0.300 . 1 . . . . 80 VAL N . 10129 1 950 . 1 1 81 81 LYS H H 1 8.442 0.030 . 1 . . . . 81 LYS H . 10129 1 951 . 1 1 81 81 LYS HA H 1 4.828 0.030 . 1 . . . . 81 LYS HA . 10129 1 952 . 1 1 81 81 LYS HB2 H 1 1.863 0.030 . 2 . . . . 81 LYS HB2 . 10129 1 953 . 1 1 81 81 LYS HB3 H 1 1.665 0.030 . 2 . . . . 81 LYS HB3 . 10129 1 954 . 1 1 81 81 LYS HG2 H 1 1.261 0.030 . 1 . . . . 81 LYS HG2 . 10129 1 955 . 1 1 81 81 LYS HG3 H 1 1.261 0.030 . 1 . . . . 81 LYS HG3 . 10129 1 956 . 1 1 81 81 LYS HD2 H 1 1.646 0.030 . 1 . . . . 81 LYS HD2 . 10129 1 957 . 1 1 81 81 LYS HD3 H 1 1.646 0.030 . 1 . . . . 81 LYS HD3 . 10129 1 958 . 1 1 81 81 LYS HE2 H 1 2.908 0.030 . 2 . . . . 81 LYS HE2 . 10129 1 959 . 1 1 81 81 LYS HE3 H 1 2.850 0.030 . 2 . . . . 81 LYS HE3 . 10129 1 960 . 1 1 81 81 LYS C C 13 176.505 0.300 . 1 . . . . 81 LYS C . 10129 1 961 . 1 1 81 81 LYS CA C 13 55.130 0.300 . 1 . . . . 81 LYS CA . 10129 1 962 . 1 1 81 81 LYS CB C 13 35.420 0.300 . 1 . . . . 81 LYS CB . 10129 1 963 . 1 1 81 81 LYS CG C 13 25.711 0.300 . 1 . . . . 81 LYS CG . 10129 1 964 . 1 1 81 81 LYS CD C 13 29.497 0.300 . 1 . . . . 81 LYS CD . 10129 1 965 . 1 1 81 81 LYS CE C 13 41.978 0.300 . 1 . . . . 81 LYS CE . 10129 1 966 . 1 1 81 81 LYS N N 15 124.734 0.300 . 1 . . . . 81 LYS N . 10129 1 967 . 1 1 82 82 GLY H H 1 8.626 0.030 . 1 . . . . 82 GLY H . 10129 1 968 . 1 1 82 82 GLY HA2 H 1 3.936 0.030 . 2 . . . . 82 GLY HA2 . 10129 1 969 . 1 1 82 82 GLY HA3 H 1 3.727 0.030 . 2 . . . . 82 GLY HA3 . 10129 1 970 . 1 1 82 82 GLY C C 13 175.315 0.300 . 1 . . . . 82 GLY C . 10129 1 971 . 1 1 82 82 GLY CA C 13 46.509 0.300 . 1 . . . . 82 GLY CA . 10129 1 972 . 1 1 82 82 GLY N N 15 106.948 0.300 . 1 . . . . 82 GLY N . 10129 1 973 . 1 1 83 83 LEU H H 1 7.823 0.030 . 1 . . . . 83 LEU H . 10129 1 974 . 1 1 83 83 LEU HA H 1 4.249 0.030 . 1 . . . . 83 LEU HA . 10129 1 975 . 1 1 83 83 LEU HB2 H 1 1.252 0.030 . 2 . . . . 83 LEU HB2 . 10129 1 976 . 1 1 83 83 LEU HB3 H 1 1.098 0.030 . 2 . . . . 83 LEU HB3 . 10129 1 977 . 1 1 83 83 LEU HG H 1 1.201 0.030 . 1 . . . . 83 LEU HG . 10129 1 978 . 1 1 83 83 LEU HD11 H 1 0.195 0.030 . 1 . . . . 83 LEU HD1 . 10129 1 979 . 1 1 83 83 LEU HD12 H 1 0.195 0.030 . 1 . . . . 83 LEU HD1 . 10129 1 980 . 1 1 83 83 LEU HD13 H 1 0.195 0.030 . 1 . . . . 83 LEU HD1 . 10129 1 981 . 1 1 83 83 LEU HD21 H 1 0.367 0.030 . 1 . . . . 83 LEU HD2 . 10129 1 982 . 1 1 83 83 LEU HD22 H 1 0.367 0.030 . 1 . . . . 83 LEU HD2 . 10129 1 983 . 1 1 83 83 LEU HD23 H 1 0.367 0.030 . 1 . . . . 83 LEU HD2 . 10129 1 984 . 1 1 83 83 LEU C C 13 175.226 0.300 . 1 . . . . 83 LEU C . 10129 1 985 . 1 1 83 83 LEU CA C 13 54.141 0.300 . 1 . . . . 83 LEU CA . 10129 1 986 . 1 1 83 83 LEU CB C 13 40.793 0.300 . 1 . . . . 83 LEU CB . 10129 1 987 . 1 1 83 83 LEU CG C 13 26.839 0.300 . 1 . . . . 83 LEU CG . 10129 1 988 . 1 1 83 83 LEU CD1 C 13 25.496 0.300 . 2 . . . . 83 LEU CD1 . 10129 1 989 . 1 1 83 83 LEU CD2 C 13 20.603 0.300 . 2 . . . . 83 LEU CD2 . 10129 1 990 . 1 1 83 83 LEU N N 15 119.817 0.300 . 1 . . . . 83 LEU N . 10129 1 991 . 1 1 84 84 VAL H H 1 8.026 0.030 . 1 . . . . 84 VAL H . 10129 1 992 . 1 1 84 84 VAL HA H 1 4.365 0.030 . 1 . . . . 84 VAL HA . 10129 1 993 . 1 1 84 84 VAL HB H 1 1.926 0.030 . 1 . . . . 84 VAL HB . 10129 1 994 . 1 1 84 84 VAL HG11 H 1 0.981 0.030 . 1 . . . . 84 VAL HG1 . 10129 1 995 . 1 1 84 84 VAL HG12 H 1 0.981 0.030 . 1 . . . . 84 VAL HG1 . 10129 1 996 . 1 1 84 84 VAL HG13 H 1 0.981 0.030 . 1 . . . . 84 VAL HG1 . 10129 1 997 . 1 1 84 84 VAL HG21 H 1 1.028 0.030 . 1 . . . . 84 VAL HG2 . 10129 1 998 . 1 1 84 84 VAL HG22 H 1 1.028 0.030 . 1 . . . . 84 VAL HG2 . 10129 1 999 . 1 1 84 84 VAL HG23 H 1 1.028 0.030 . 1 . . . . 84 VAL HG2 . 10129 1 1000 . 1 1 84 84 VAL C C 13 173.972 0.300 . 1 . . . . 84 VAL C . 10129 1 1001 . 1 1 84 84 VAL CA C 13 60.807 0.300 . 1 . . . . 84 VAL CA . 10129 1 1002 . 1 1 84 84 VAL CB C 13 33.646 0.300 . 1 . . . . 84 VAL CB . 10129 1 1003 . 1 1 84 84 VAL CG1 C 13 21.790 0.300 . 2 . . . . 84 VAL CG1 . 10129 1 1004 . 1 1 84 84 VAL CG2 C 13 20.717 0.300 . 2 . . . . 84 VAL CG2 . 10129 1 1005 . 1 1 84 84 VAL N N 15 120.412 0.300 . 1 . . . . 84 VAL N . 10129 1 1006 . 1 1 85 85 PRO HA H 1 4.151 0.030 . 1 . . . . 85 PRO HA . 10129 1 1007 . 1 1 85 85 PRO HB2 H 1 2.425 0.030 . 2 . . . . 85 PRO HB2 . 10129 1 1008 . 1 1 85 85 PRO HB3 H 1 1.881 0.030 . 2 . . . . 85 PRO HB3 . 10129 1 1009 . 1 1 85 85 PRO HG2 H 1 1.851 0.030 . 2 . . . . 85 PRO HG2 . 10129 1 1010 . 1 1 85 85 PRO HG3 H 1 2.108 0.030 . 2 . . . . 85 PRO HG3 . 10129 1 1011 . 1 1 85 85 PRO HD2 H 1 3.955 0.030 . 2 . . . . 85 PRO HD2 . 10129 1 1012 . 1 1 85 85 PRO HD3 H 1 3.682 0.030 . 2 . . . . 85 PRO HD3 . 10129 1 1013 . 1 1 85 85 PRO C C 13 175.656 0.300 . 1 . . . . 85 PRO C . 10129 1 1014 . 1 1 85 85 PRO CA C 13 63.818 0.300 . 1 . . . . 85 PRO CA . 10129 1 1015 . 1 1 85 85 PRO CB C 13 32.682 0.300 . 1 . . . . 85 PRO CB . 10129 1 1016 . 1 1 85 85 PRO CG C 13 27.772 0.300 . 1 . . . . 85 PRO CG . 10129 1 1017 . 1 1 85 85 PRO CD C 13 51.570 0.300 . 1 . . . . 85 PRO CD . 10129 1 1018 . 1 1 86 86 ALA H H 1 7.798 0.030 . 1 . . . . 86 ALA H . 10129 1 1019 . 1 1 86 86 ALA HA H 1 4.039 0.030 . 1 . . . . 86 ALA HA . 10129 1 1020 . 1 1 86 86 ALA HB1 H 1 1.525 0.030 . 1 . . . . 86 ALA HB . 10129 1 1021 . 1 1 86 86 ALA HB2 H 1 1.525 0.030 . 1 . . . . 86 ALA HB . 10129 1 1022 . 1 1 86 86 ALA HB3 H 1 1.525 0.030 . 1 . . . . 86 ALA HB . 10129 1 1023 . 1 1 86 86 ALA C C 13 176.750 0.300 . 1 . . . . 86 ALA C . 10129 1 1024 . 1 1 86 86 ALA CA C 13 53.742 0.300 . 1 . . . . 86 ALA CA . 10129 1 1025 . 1 1 86 86 ALA CB C 13 17.894 0.300 . 1 . . . . 86 ALA CB . 10129 1 1026 . 1 1 86 86 ALA N N 15 118.753 0.300 . 1 . . . . 86 ALA N . 10129 1 1027 . 1 1 87 87 ARG H H 1 7.675 0.030 . 1 . . . . 87 ARG H . 10129 1 1028 . 1 1 87 87 ARG HA H 1 4.600 0.030 . 1 . . . . 87 ARG HA . 10129 1 1029 . 1 1 87 87 ARG HB2 H 1 1.982 0.030 . 2 . . . . 87 ARG HB2 . 10129 1 1030 . 1 1 87 87 ARG HB3 H 1 1.190 0.030 . 2 . . . . 87 ARG HB3 . 10129 1 1031 . 1 1 87 87 ARG HG2 H 1 1.546 0.030 . 2 . . . . 87 ARG HG2 . 10129 1 1032 . 1 1 87 87 ARG HG3 H 1 1.465 0.030 . 2 . . . . 87 ARG HG3 . 10129 1 1033 . 1 1 87 87 ARG HD2 H 1 2.956 0.030 . 2 . . . . 87 ARG HD2 . 10129 1 1034 . 1 1 87 87 ARG HD3 H 1 2.863 0.030 . 2 . . . . 87 ARG HD3 . 10129 1 1035 . 1 1 87 87 ARG C C 13 173.936 0.300 . 1 . . . . 87 ARG C . 10129 1 1036 . 1 1 87 87 ARG CA C 13 55.579 0.300 . 1 . . . . 87 ARG CA . 10129 1 1037 . 1 1 87 87 ARG CB C 13 31.512 0.300 . 1 . . . . 87 ARG CB . 10129 1 1038 . 1 1 87 87 ARG CG C 13 27.886 0.300 . 1 . . . . 87 ARG CG . 10129 1 1039 . 1 1 87 87 ARG CD C 13 43.720 0.300 . 1 . . . . 87 ARG CD . 10129 1 1040 . 1 1 87 87 ARG N N 15 117.935 0.300 . 1 . . . . 87 ARG N . 10129 1 1041 . 1 1 88 88 SER H H 1 8.037 0.030 . 1 . . . . 88 SER H . 10129 1 1042 . 1 1 88 88 SER HA H 1 5.209 0.030 . 1 . . . . 88 SER HA . 10129 1 1043 . 1 1 88 88 SER HB2 H 1 3.552 0.030 . 1 . . . . 88 SER HB2 . 10129 1 1044 . 1 1 88 88 SER HB3 H 1 3.552 0.030 . 1 . . . . 88 SER HB3 . 10129 1 1045 . 1 1 88 88 SER C C 13 173.409 0.300 . 1 . . . . 88 SER C . 10129 1 1046 . 1 1 88 88 SER CA C 13 56.491 0.300 . 1 . . . . 88 SER CA . 10129 1 1047 . 1 1 88 88 SER CB C 13 65.260 0.300 . 1 . . . . 88 SER CB . 10129 1 1048 . 1 1 88 88 SER N N 15 114.033 0.300 . 1 . . . . 88 SER N . 10129 1 1049 . 1 1 89 89 TYR H H 1 8.861 0.030 . 1 . . . . 89 TYR H . 10129 1 1050 . 1 1 89 89 TYR HA H 1 5.029 0.030 . 1 . . . . 89 TYR HA . 10129 1 1051 . 1 1 89 89 TYR HB2 H 1 2.396 0.030 . 1 . . . . 89 TYR HB2 . 10129 1 1052 . 1 1 89 89 TYR HB3 H 1 2.396 0.030 . 1 . . . . 89 TYR HB3 . 10129 1 1053 . 1 1 89 89 TYR HD1 H 1 6.865 0.030 . 1 . . . . 89 TYR HD1 . 10129 1 1054 . 1 1 89 89 TYR HD2 H 1 6.865 0.030 . 1 . . . . 89 TYR HD2 . 10129 1 1055 . 1 1 89 89 TYR HE1 H 1 6.857 0.030 . 1 . . . . 89 TYR HE1 . 10129 1 1056 . 1 1 89 89 TYR HE2 H 1 6.857 0.030 . 1 . . . . 89 TYR HE2 . 10129 1 1057 . 1 1 89 89 TYR C C 13 176.082 0.300 . 1 . . . . 89 TYR C . 10129 1 1058 . 1 1 89 89 TYR CA C 13 58.552 0.300 . 1 . . . . 89 TYR CA . 10129 1 1059 . 1 1 89 89 TYR CB C 13 44.472 0.300 . 1 . . . . 89 TYR CB . 10129 1 1060 . 1 1 89 89 TYR CD1 C 13 132.951 0.300 . 1 . . . . 89 TYR CD1 . 10129 1 1061 . 1 1 89 89 TYR CD2 C 13 132.951 0.300 . 1 . . . . 89 TYR CD2 . 10129 1 1062 . 1 1 89 89 TYR CE1 C 13 119.758 0.300 . 1 . . . . 89 TYR CE1 . 10129 1 1063 . 1 1 89 89 TYR CE2 C 13 119.758 0.300 . 1 . . . . 89 TYR CE2 . 10129 1 1064 . 1 1 89 89 TYR N N 15 120.197 0.300 . 1 . . . . 89 TYR N . 10129 1 1065 . 1 1 90 90 GLN H H 1 8.017 0.030 . 1 . . . . 90 GLN H . 10129 1 1066 . 1 1 90 90 GLN HA H 1 4.394 0.030 . 1 . . . . 90 GLN HA . 10129 1 1067 . 1 1 90 90 GLN HB2 H 1 2.143 0.030 . 2 . . . . 90 GLN HB2 . 10129 1 1068 . 1 1 90 90 GLN HB3 H 1 1.652 0.030 . 2 . . . . 90 GLN HB3 . 10129 1 1069 . 1 1 90 90 GLN HG2 H 1 2.386 0.030 . 2 . . . . 90 GLN HG2 . 10129 1 1070 . 1 1 90 90 GLN HG3 H 1 2.024 0.030 . 2 . . . . 90 GLN HG3 . 10129 1 1071 . 1 1 90 90 GLN HE21 H 1 8.131 0.030 . 2 . . . . 90 GLN HE21 . 10129 1 1072 . 1 1 90 90 GLN HE22 H 1 7.058 0.030 . 2 . . . . 90 GLN HE22 . 10129 1 1073 . 1 1 90 90 GLN C C 13 172.509 0.300 . 1 . . . . 90 GLN C . 10129 1 1074 . 1 1 90 90 GLN CA C 13 55.123 0.300 . 1 . . . . 90 GLN CA . 10129 1 1075 . 1 1 90 90 GLN CB C 13 36.320 0.300 . 1 . . . . 90 GLN CB . 10129 1 1076 . 1 1 90 90 GLN CG C 13 36.141 0.300 . 1 . . . . 90 GLN CG . 10129 1 1077 . 1 1 90 90 GLN N N 15 119.236 0.300 . 1 . . . . 90 GLN N . 10129 1 1078 . 1 1 90 90 GLN NE2 N 15 112.882 0.300 . 1 . . . . 90 GLN NE2 . 10129 1 1079 . 1 1 91 91 PHE H H 1 8.670 0.030 . 1 . . . . 91 PHE H . 10129 1 1080 . 1 1 91 91 PHE HA H 1 5.916 0.030 . 1 . . . . 91 PHE HA . 10129 1 1081 . 1 1 91 91 PHE HB2 H 1 3.197 0.030 . 2 . . . . 91 PHE HB2 . 10129 1 1082 . 1 1 91 91 PHE HB3 H 1 2.795 0.030 . 2 . . . . 91 PHE HB3 . 10129 1 1083 . 1 1 91 91 PHE HD1 H 1 7.294 0.030 . 1 . . . . 91 PHE HD1 . 10129 1 1084 . 1 1 91 91 PHE HD2 H 1 7.294 0.030 . 1 . . . . 91 PHE HD2 . 10129 1 1085 . 1 1 91 91 PHE HE1 H 1 7.089 0.030 . 1 . . . . 91 PHE HE1 . 10129 1 1086 . 1 1 91 91 PHE HE2 H 1 7.089 0.030 . 1 . . . . 91 PHE HE2 . 10129 1 1087 . 1 1 91 91 PHE HZ H 1 6.761 0.030 . 1 . . . . 91 PHE HZ . 10129 1 1088 . 1 1 91 91 PHE C C 13 173.726 0.300 . 1 . . . . 91 PHE C . 10129 1 1089 . 1 1 91 91 PHE CA C 13 57.372 0.300 . 1 . . . . 91 PHE CA . 10129 1 1090 . 1 1 91 91 PHE CB C 13 43.564 0.300 . 1 . . . . 91 PHE CB . 10129 1 1091 . 1 1 91 91 PHE CD1 C 13 132.287 0.300 . 1 . . . . 91 PHE CD1 . 10129 1 1092 . 1 1 91 91 PHE CD2 C 13 132.287 0.300 . 1 . . . . 91 PHE CD2 . 10129 1 1093 . 1 1 91 91 PHE CE1 C 13 130.730 0.300 . 1 . . . . 91 PHE CE1 . 10129 1 1094 . 1 1 91 91 PHE CE2 C 13 130.730 0.300 . 1 . . . . 91 PHE CE2 . 10129 1 1095 . 1 1 91 91 PHE CZ C 13 128.420 0.300 . 1 . . . . 91 PHE CZ . 10129 1 1096 . 1 1 91 91 PHE N N 15 117.630 0.300 . 1 . . . . 91 PHE N . 10129 1 1097 . 1 1 92 92 ARG H H 1 8.532 0.030 . 1 . . . . 92 ARG H . 10129 1 1098 . 1 1 92 92 ARG HA H 1 4.419 0.030 . 1 . . . . 92 ARG HA . 10129 1 1099 . 1 1 92 92 ARG HB2 H 1 1.556 0.030 . 2 . . . . 92 ARG HB2 . 10129 1 1100 . 1 1 92 92 ARG HB3 H 1 1.411 0.030 . 2 . . . . 92 ARG HB3 . 10129 1 1101 . 1 1 92 92 ARG HG2 H 1 0.446 0.030 . 2 . . . . 92 ARG HG2 . 10129 1 1102 . 1 1 92 92 ARG HG3 H 1 0.400 0.030 . 2 . . . . 92 ARG HG3 . 10129 1 1103 . 1 1 92 92 ARG HD2 H 1 1.631 0.030 . 2 . . . . 92 ARG HD2 . 10129 1 1104 . 1 1 92 92 ARG HD3 H 1 0.922 0.030 . 2 . . . . 92 ARG HD3 . 10129 1 1105 . 1 1 92 92 ARG HE H 1 5.172 0.030 . 1 . . . . 92 ARG HE . 10129 1 1106 . 1 1 92 92 ARG C C 13 172.835 0.300 . 1 . . . . 92 ARG C . 10129 1 1107 . 1 1 92 92 ARG CA C 13 56.098 0.300 . 1 . . . . 92 ARG CA . 10129 1 1108 . 1 1 92 92 ARG CB C 13 31.991 0.300 . 1 . . . . 92 ARG CB . 10129 1 1109 . 1 1 92 92 ARG CG C 13 24.653 0.300 . 1 . . . . 92 ARG CG . 10129 1 1110 . 1 1 92 92 ARG CD C 13 42.728 0.300 . 1 . . . . 92 ARG CD . 10129 1 1111 . 1 1 92 92 ARG N N 15 114.101 0.300 . 1 . . . . 92 ARG N . 10129 1 1112 . 1 1 92 92 ARG NE N 15 84.147 0.300 . 1 . . . . 92 ARG NE . 10129 1 1113 . 1 1 93 93 LEU H H 1 8.602 0.030 . 1 . . . . 93 LEU H . 10129 1 1114 . 1 1 93 93 LEU HA H 1 5.929 0.030 . 1 . . . . 93 LEU HA . 10129 1 1115 . 1 1 93 93 LEU HB2 H 1 1.227 0.030 . 2 . . . . 93 LEU HB2 . 10129 1 1116 . 1 1 93 93 LEU HB3 H 1 1.099 0.030 . 2 . . . . 93 LEU HB3 . 10129 1 1117 . 1 1 93 93 LEU HG H 1 1.040 0.030 . 1 . . . . 93 LEU HG . 10129 1 1118 . 1 1 93 93 LEU HD11 H 1 -0.598 0.030 . 1 . . . . 93 LEU HD1 . 10129 1 1119 . 1 1 93 93 LEU HD12 H 1 -0.598 0.030 . 1 . . . . 93 LEU HD1 . 10129 1 1120 . 1 1 93 93 LEU HD13 H 1 -0.598 0.030 . 1 . . . . 93 LEU HD1 . 10129 1 1121 . 1 1 93 93 LEU HD21 H 1 -0.315 0.030 . 1 . . . . 93 LEU HD2 . 10129 1 1122 . 1 1 93 93 LEU HD22 H 1 -0.315 0.030 . 1 . . . . 93 LEU HD2 . 10129 1 1123 . 1 1 93 93 LEU HD23 H 1 -0.315 0.030 . 1 . . . . 93 LEU HD2 . 10129 1 1124 . 1 1 93 93 LEU C C 13 175.356 0.300 . 1 . . . . 93 LEU C . 10129 1 1125 . 1 1 93 93 LEU CA C 13 54.634 0.300 . 1 . . . . 93 LEU CA . 10129 1 1126 . 1 1 93 93 LEU CB C 13 47.492 0.300 . 1 . . . . 93 LEU CB . 10129 1 1127 . 1 1 93 93 LEU CG C 13 26.721 0.300 . 1 . . . . 93 LEU CG . 10129 1 1128 . 1 1 93 93 LEU CD1 C 13 24.818 0.300 . 2 . . . . 93 LEU CD1 . 10129 1 1129 . 1 1 93 93 LEU CD2 C 13 24.038 0.300 . 2 . . . . 93 LEU CD2 . 10129 1 1130 . 1 1 93 93 LEU N N 15 119.584 0.300 . 1 . . . . 93 LEU N . 10129 1 1131 . 1 1 94 94 CYS H H 1 8.832 0.030 . 1 . . . . 94 CYS H . 10129 1 1132 . 1 1 94 94 CYS HA H 1 4.822 0.030 . 1 . . . . 94 CYS HA . 10129 1 1133 . 1 1 94 94 CYS HB2 H 1 2.342 0.030 . 2 . . . . 94 CYS HB2 . 10129 1 1134 . 1 1 94 94 CYS HB3 H 1 0.975 0.030 . 2 . . . . 94 CYS HB3 . 10129 1 1135 . 1 1 94 94 CYS C C 13 170.912 0.300 . 1 . . . . 94 CYS C . 10129 1 1136 . 1 1 94 94 CYS CA C 13 54.711 0.300 . 1 . . . . 94 CYS CA . 10129 1 1137 . 1 1 94 94 CYS CB C 13 30.808 0.300 . 1 . . . . 94 CYS CB . 10129 1 1138 . 1 1 94 94 CYS N N 15 118.366 0.300 . 1 . . . . 94 CYS N . 10129 1 1139 . 1 1 95 95 ALA H H 1 9.662 0.030 . 1 . . . . 95 ALA H . 10129 1 1140 . 1 1 95 95 ALA HA H 1 4.824 0.030 . 1 . . . . 95 ALA HA . 10129 1 1141 . 1 1 95 95 ALA HB1 H 1 1.243 0.030 . 1 . . . . 95 ALA HB . 10129 1 1142 . 1 1 95 95 ALA HB2 H 1 1.243 0.030 . 1 . . . . 95 ALA HB . 10129 1 1143 . 1 1 95 95 ALA HB3 H 1 1.243 0.030 . 1 . . . . 95 ALA HB . 10129 1 1144 . 1 1 95 95 ALA C C 13 174.774 0.300 . 1 . . . . 95 ALA C . 10129 1 1145 . 1 1 95 95 ALA CA C 13 50.172 0.300 . 1 . . . . 95 ALA CA . 10129 1 1146 . 1 1 95 95 ALA CB C 13 23.126 0.300 . 1 . . . . 95 ALA CB . 10129 1 1147 . 1 1 95 95 ALA N N 15 124.463 0.300 . 1 . . . . 95 ALA N . 10129 1 1148 . 1 1 96 96 VAL H H 1 7.985 0.030 . 1 . . . . 96 VAL H . 10129 1 1149 . 1 1 96 96 VAL HA H 1 4.635 0.030 . 1 . . . . 96 VAL HA . 10129 1 1150 . 1 1 96 96 VAL HB H 1 1.738 0.030 . 1 . . . . 96 VAL HB . 10129 1 1151 . 1 1 96 96 VAL HG11 H 1 0.827 0.030 . 1 . . . . 96 VAL HG1 . 10129 1 1152 . 1 1 96 96 VAL HG12 H 1 0.827 0.030 . 1 . . . . 96 VAL HG1 . 10129 1 1153 . 1 1 96 96 VAL HG13 H 1 0.827 0.030 . 1 . . . . 96 VAL HG1 . 10129 1 1154 . 1 1 96 96 VAL HG21 H 1 0.701 0.030 . 1 . . . . 96 VAL HG2 . 10129 1 1155 . 1 1 96 96 VAL HG22 H 1 0.701 0.030 . 1 . . . . 96 VAL HG2 . 10129 1 1156 . 1 1 96 96 VAL HG23 H 1 0.701 0.030 . 1 . . . . 96 VAL HG2 . 10129 1 1157 . 1 1 96 96 VAL C C 13 175.722 0.300 . 1 . . . . 96 VAL C . 10129 1 1158 . 1 1 96 96 VAL CA C 13 60.869 0.300 . 1 . . . . 96 VAL CA . 10129 1 1159 . 1 1 96 96 VAL CB C 13 35.193 0.300 . 1 . . . . 96 VAL CB . 10129 1 1160 . 1 1 96 96 VAL CG1 C 13 20.980 0.300 . 2 . . . . 96 VAL CG1 . 10129 1 1161 . 1 1 96 96 VAL CG2 C 13 21.779 0.300 . 2 . . . . 96 VAL CG2 . 10129 1 1162 . 1 1 96 96 VAL N N 15 118.040 0.300 . 1 . . . . 96 VAL N . 10129 1 1163 . 1 1 97 97 ASN H H 1 8.697 0.030 . 1 . . . . 97 ASN H . 10129 1 1164 . 1 1 97 97 ASN HA H 1 4.825 0.030 . 1 . . . . 97 ASN HA . 10129 1 1165 . 1 1 97 97 ASN HB2 H 1 3.189 0.030 . 2 . . . . 97 ASN HB2 . 10129 1 1166 . 1 1 97 97 ASN HB3 H 1 2.491 0.030 . 2 . . . . 97 ASN HB3 . 10129 1 1167 . 1 1 97 97 ASN HD21 H 1 7.852 0.030 . 2 . . . . 97 ASN HD21 . 10129 1 1168 . 1 1 97 97 ASN HD22 H 1 7.567 0.030 . 2 . . . . 97 ASN HD22 . 10129 1 1169 . 1 1 97 97 ASN C C 13 174.960 0.300 . 1 . . . . 97 ASN C . 10129 1 1170 . 1 1 97 97 ASN CA C 13 51.663 0.300 . 1 . . . . 97 ASN CA . 10129 1 1171 . 1 1 97 97 ASN CB C 13 41.513 0.300 . 1 . . . . 97 ASN CB . 10129 1 1172 . 1 1 97 97 ASN N N 15 127.646 0.300 . 1 . . . . 97 ASN N . 10129 1 1173 . 1 1 97 97 ASN ND2 N 15 113.996 0.300 . 1 . . . . 97 ASN ND2 . 10129 1 1174 . 1 1 98 98 ASP H H 1 8.785 0.030 . 1 . . . . 98 ASP H . 10129 1 1175 . 1 1 98 98 ASP HA H 1 4.185 0.030 . 1 . . . . 98 ASP HA . 10129 1 1176 . 1 1 98 98 ASP HB2 H 1 2.544 0.030 . 2 . . . . 98 ASP HB2 . 10129 1 1177 . 1 1 98 98 ASP HB3 H 1 2.507 0.030 . 2 . . . . 98 ASP HB3 . 10129 1 1178 . 1 1 98 98 ASP C C 13 176.737 0.300 . 1 . . . . 98 ASP C . 10129 1 1179 . 1 1 98 98 ASP CA C 13 56.866 0.300 . 1 . . . . 98 ASP CA . 10129 1 1180 . 1 1 98 98 ASP CB C 13 40.820 0.300 . 1 . . . . 98 ASP CB . 10129 1 1181 . 1 1 98 98 ASP N N 15 116.254 0.300 . 1 . . . . 98 ASP N . 10129 1 1182 . 1 1 99 99 VAL H H 1 7.729 0.030 . 1 . . . . 99 VAL H . 10129 1 1183 . 1 1 99 99 VAL HA H 1 3.622 0.030 . 1 . . . . 99 VAL HA . 10129 1 1184 . 1 1 99 99 VAL HB H 1 2.127 0.030 . 1 . . . . 99 VAL HB . 10129 1 1185 . 1 1 99 99 VAL HG11 H 1 0.782 0.030 . 1 . . . . 99 VAL HG1 . 10129 1 1186 . 1 1 99 99 VAL HG12 H 1 0.782 0.030 . 1 . . . . 99 VAL HG1 . 10129 1 1187 . 1 1 99 99 VAL HG13 H 1 0.782 0.030 . 1 . . . . 99 VAL HG1 . 10129 1 1188 . 1 1 99 99 VAL HG21 H 1 0.607 0.030 . 1 . . . . 99 VAL HG2 . 10129 1 1189 . 1 1 99 99 VAL HG22 H 1 0.607 0.030 . 1 . . . . 99 VAL HG2 . 10129 1 1190 . 1 1 99 99 VAL HG23 H 1 0.607 0.030 . 1 . . . . 99 VAL HG2 . 10129 1 1191 . 1 1 99 99 VAL C C 13 176.832 0.300 . 1 . . . . 99 VAL C . 10129 1 1192 . 1 1 99 99 VAL CA C 13 64.481 0.300 . 1 . . . . 99 VAL CA . 10129 1 1193 . 1 1 99 99 VAL CB C 13 31.345 0.300 . 1 . . . . 99 VAL CB . 10129 1 1194 . 1 1 99 99 VAL CG1 C 13 21.705 0.300 . 2 . . . . 99 VAL CG1 . 10129 1 1195 . 1 1 99 99 VAL CG2 C 13 21.973 0.300 . 2 . . . . 99 VAL CG2 . 10129 1 1196 . 1 1 99 99 VAL N N 15 120.155 0.300 . 1 . . . . 99 VAL N . 10129 1 1197 . 1 1 100 100 GLY H H 1 7.653 0.030 . 1 . . . . 100 GLY H . 10129 1 1198 . 1 1 100 100 GLY HA2 H 1 4.184 0.030 . 2 . . . . 100 GLY HA2 . 10129 1 1199 . 1 1 100 100 GLY HA3 H 1 3.684 0.030 . 2 . . . . 100 GLY HA3 . 10129 1 1200 . 1 1 100 100 GLY C C 13 170.601 0.300 . 1 . . . . 100 GLY C . 10129 1 1201 . 1 1 100 100 GLY CA C 13 45.266 0.300 . 1 . . . . 100 GLY CA . 10129 1 1202 . 1 1 100 100 GLY N N 15 107.065 0.300 . 1 . . . . 100 GLY N . 10129 1 1203 . 1 1 101 101 LYS H H 1 8.084 0.030 . 1 . . . . 101 LYS H . 10129 1 1204 . 1 1 101 101 LYS HA H 1 4.460 0.030 . 1 . . . . 101 LYS HA . 10129 1 1205 . 1 1 101 101 LYS HB2 H 1 1.699 0.030 . 2 . . . . 101 LYS HB2 . 10129 1 1206 . 1 1 101 101 LYS HB3 H 1 1.667 0.030 . 2 . . . . 101 LYS HB3 . 10129 1 1207 . 1 1 101 101 LYS HG2 H 1 1.368 0.030 . 2 . . . . 101 LYS HG2 . 10129 1 1208 . 1 1 101 101 LYS HG3 H 1 1.315 0.030 . 2 . . . . 101 LYS HG3 . 10129 1 1209 . 1 1 101 101 LYS HD2 H 1 1.559 0.030 . 1 . . . . 101 LYS HD2 . 10129 1 1210 . 1 1 101 101 LYS HD3 H 1 1.559 0.030 . 1 . . . . 101 LYS HD3 . 10129 1 1211 . 1 1 101 101 LYS HE2 H 1 2.861 0.030 . 1 . . . . 101 LYS HE2 . 10129 1 1212 . 1 1 101 101 LYS HE3 H 1 2.861 0.030 . 1 . . . . 101 LYS HE3 . 10129 1 1213 . 1 1 101 101 LYS C C 13 176.618 0.300 . 1 . . . . 101 LYS C . 10129 1 1214 . 1 1 101 101 LYS CA C 13 55.554 0.300 . 1 . . . . 101 LYS CA . 10129 1 1215 . 1 1 101 101 LYS CB C 13 34.193 0.300 . 1 . . . . 101 LYS CB . 10129 1 1216 . 1 1 101 101 LYS CG C 13 24.637 0.300 . 1 . . . . 101 LYS CG . 10129 1 1217 . 1 1 101 101 LYS CD C 13 30.135 0.300 . 1 . . . . 101 LYS CD . 10129 1 1218 . 1 1 101 101 LYS CE C 13 41.968 0.300 . 1 . . . . 101 LYS CE . 10129 1 1219 . 1 1 101 101 LYS N N 15 120.155 0.300 . 1 . . . . 101 LYS N . 10129 1 1220 . 1 1 102 102 GLY H H 1 8.720 0.030 . 1 . . . . 102 GLY H . 10129 1 1221 . 1 1 102 102 GLY HA2 H 1 4.127 0.030 . 2 . . . . 102 GLY HA2 . 10129 1 1222 . 1 1 102 102 GLY HA3 H 1 4.001 0.030 . 2 . . . . 102 GLY HA3 . 10129 1 1223 . 1 1 102 102 GLY C C 13 172.546 0.300 . 1 . . . . 102 GLY C . 10129 1 1224 . 1 1 102 102 GLY CA C 13 44.186 0.300 . 1 . . . . 102 GLY CA . 10129 1 1225 . 1 1 102 102 GLY N N 15 112.094 0.300 . 1 . . . . 102 GLY N . 10129 1 1226 . 1 1 103 103 GLN H H 1 8.084 0.030 . 1 . . . . 103 GLN H . 10129 1 1227 . 1 1 103 103 GLN HA H 1 4.013 0.030 . 1 . . . . 103 GLN HA . 10129 1 1228 . 1 1 103 103 GLN HB2 H 1 2.027 0.030 . 2 . . . . 103 GLN HB2 . 10129 1 1229 . 1 1 103 103 GLN HB3 H 1 1.825 0.030 . 2 . . . . 103 GLN HB3 . 10129 1 1230 . 1 1 103 103 GLN HG2 H 1 2.514 0.030 . 1 . . . . 103 GLN HG2 . 10129 1 1231 . 1 1 103 103 GLN HG3 H 1 2.514 0.030 . 1 . . . . 103 GLN HG3 . 10129 1 1232 . 1 1 103 103 GLN HE21 H 1 7.616 0.030 . 2 . . . . 103 GLN HE21 . 10129 1 1233 . 1 1 103 103 GLN HE22 H 1 6.873 0.030 . 2 . . . . 103 GLN HE22 . 10129 1 1234 . 1 1 103 103 GLN C C 13 177.482 0.300 . 1 . . . . 103 GLN C . 10129 1 1235 . 1 1 103 103 GLN CA C 13 55.621 0.300 . 1 . . . . 103 GLN CA . 10129 1 1236 . 1 1 103 103 GLN CB C 13 30.262 0.300 . 1 . . . . 103 GLN CB . 10129 1 1237 . 1 1 103 103 GLN CG C 13 33.979 0.300 . 1 . . . . 103 GLN CG . 10129 1 1238 . 1 1 103 103 GLN N N 15 114.932 0.300 . 1 . . . . 103 GLN N . 10129 1 1239 . 1 1 103 103 GLN NE2 N 15 113.233 0.300 . 1 . . . . 103 GLN NE2 . 10129 1 1240 . 1 1 104 104 PHE H H 1 8.496 0.030 . 1 . . . . 104 PHE H . 10129 1 1241 . 1 1 104 104 PHE HA H 1 4.172 0.030 . 1 . . . . 104 PHE HA . 10129 1 1242 . 1 1 104 104 PHE HB2 H 1 2.956 0.030 . 2 . . . . 104 PHE HB2 . 10129 1 1243 . 1 1 104 104 PHE HB3 H 1 2.664 0.030 . 2 . . . . 104 PHE HB3 . 10129 1 1244 . 1 1 104 104 PHE HD1 H 1 6.833 0.030 . 1 . . . . 104 PHE HD1 . 10129 1 1245 . 1 1 104 104 PHE HD2 H 1 6.833 0.030 . 1 . . . . 104 PHE HD2 . 10129 1 1246 . 1 1 104 104 PHE HE1 H 1 7.024 0.030 . 1 . . . . 104 PHE HE1 . 10129 1 1247 . 1 1 104 104 PHE HE2 H 1 7.024 0.030 . 1 . . . . 104 PHE HE2 . 10129 1 1248 . 1 1 104 104 PHE HZ H 1 7.088 0.030 . 1 . . . . 104 PHE HZ . 10129 1 1249 . 1 1 104 104 PHE C C 13 177.502 0.300 . 1 . . . . 104 PHE C . 10129 1 1250 . 1 1 104 104 PHE CA C 13 60.331 0.300 . 1 . . . . 104 PHE CA . 10129 1 1251 . 1 1 104 104 PHE CB C 13 40.600 0.300 . 1 . . . . 104 PHE CB . 10129 1 1252 . 1 1 104 104 PHE CD1 C 13 131.000 0.300 . 1 . . . . 104 PHE CD1 . 10129 1 1253 . 1 1 104 104 PHE CD2 C 13 131.000 0.300 . 1 . . . . 104 PHE CD2 . 10129 1 1254 . 1 1 104 104 PHE CE1 C 13 131.013 0.300 . 1 . . . . 104 PHE CE1 . 10129 1 1255 . 1 1 104 104 PHE CE2 C 13 131.013 0.300 . 1 . . . . 104 PHE CE2 . 10129 1 1256 . 1 1 104 104 PHE CZ C 13 130.737 0.300 . 1 . . . . 104 PHE CZ . 10129 1 1257 . 1 1 104 104 PHE N N 15 118.836 0.300 . 1 . . . . 104 PHE N . 10129 1 1258 . 1 1 105 105 SER H H 1 9.067 0.030 . 1 . . . . 105 SER H . 10129 1 1259 . 1 1 105 105 SER HA H 1 4.307 0.030 . 1 . . . . 105 SER HA . 10129 1 1260 . 1 1 105 105 SER HB2 H 1 4.215 0.030 . 2 . . . . 105 SER HB2 . 10129 1 1261 . 1 1 105 105 SER HB3 H 1 3.925 0.030 . 2 . . . . 105 SER HB3 . 10129 1 1262 . 1 1 105 105 SER C C 13 172.834 0.300 . 1 . . . . 105 SER C . 10129 1 1263 . 1 1 105 105 SER CA C 13 58.116 0.300 . 1 . . . . 105 SER CA . 10129 1 1264 . 1 1 105 105 SER CB C 13 67.013 0.300 . 1 . . . . 105 SER CB . 10129 1 1265 . 1 1 105 105 SER N N 15 113.830 0.300 . 1 . . . . 105 SER N . 10129 1 1266 . 1 1 106 106 LYS H H 1 8.319 0.030 . 1 . . . . 106 LYS H . 10129 1 1267 . 1 1 106 106 LYS HA H 1 4.235 0.030 . 1 . . . . 106 LYS HA . 10129 1 1268 . 1 1 106 106 LYS HB2 H 1 1.933 0.030 . 2 . . . . 106 LYS HB2 . 10129 1 1269 . 1 1 106 106 LYS HB3 H 1 1.774 0.030 . 2 . . . . 106 LYS HB3 . 10129 1 1270 . 1 1 106 106 LYS HG2 H 1 1.639 0.030 . 2 . . . . 106 LYS HG2 . 10129 1 1271 . 1 1 106 106 LYS HG3 H 1 1.565 0.030 . 2 . . . . 106 LYS HG3 . 10129 1 1272 . 1 1 106 106 LYS HD2 H 1 1.819 0.030 . 1 . . . . 106 LYS HD2 . 10129 1 1273 . 1 1 106 106 LYS HD3 H 1 1.819 0.030 . 1 . . . . 106 LYS HD3 . 10129 1 1274 . 1 1 106 106 LYS HE2 H 1 3.119 0.030 . 1 . . . . 106 LYS HE2 . 10129 1 1275 . 1 1 106 106 LYS HE3 H 1 3.119 0.030 . 1 . . . . 106 LYS HE3 . 10129 1 1276 . 1 1 106 106 LYS C C 13 175.290 0.300 . 1 . . . . 106 LYS C . 10129 1 1277 . 1 1 106 106 LYS CA C 13 56.873 0.300 . 1 . . . . 106 LYS CA . 10129 1 1278 . 1 1 106 106 LYS CB C 13 33.100 0.300 . 1 . . . . 106 LYS CB . 10129 1 1279 . 1 1 106 106 LYS CG C 13 24.704 0.300 . 1 . . . . 106 LYS CG . 10129 1 1280 . 1 1 106 106 LYS CD C 13 29.121 0.300 . 1 . . . . 106 LYS CD . 10129 1 1281 . 1 1 106 106 LYS CE C 13 42.200 0.300 . 1 . . . . 106 LYS CE . 10129 1 1282 . 1 1 106 106 LYS N N 15 117.680 0.300 . 1 . . . . 106 LYS N . 10129 1 1283 . 1 1 107 107 ASP H H 1 8.397 0.030 . 1 . . . . 107 ASP H . 10129 1 1284 . 1 1 107 107 ASP HA H 1 4.984 0.030 . 1 . . . . 107 ASP HA . 10129 1 1285 . 1 1 107 107 ASP HB2 H 1 2.775 0.030 . 2 . . . . 107 ASP HB2 . 10129 1 1286 . 1 1 107 107 ASP HB3 H 1 2.600 0.030 . 2 . . . . 107 ASP HB3 . 10129 1 1287 . 1 1 107 107 ASP C C 13 178.781 0.300 . 1 . . . . 107 ASP C . 10129 1 1288 . 1 1 107 107 ASP CA C 13 53.481 0.300 . 1 . . . . 107 ASP CA . 10129 1 1289 . 1 1 107 107 ASP CB C 13 41.350 0.300 . 1 . . . . 107 ASP CB . 10129 1 1290 . 1 1 107 107 ASP N N 15 120.667 0.300 . 1 . . . . 107 ASP N . 10129 1 1291 . 1 1 108 108 THR H H 1 9.116 0.030 . 1 . . . . 108 THR H . 10129 1 1292 . 1 1 108 108 THR HA H 1 4.349 0.030 . 1 . . . . 108 THR HA . 10129 1 1293 . 1 1 108 108 THR HB H 1 4.860 0.030 . 1 . . . . 108 THR HB . 10129 1 1294 . 1 1 108 108 THR HG21 H 1 1.308 0.030 . 1 . . . . 108 THR HG2 . 10129 1 1295 . 1 1 108 108 THR HG22 H 1 1.308 0.030 . 1 . . . . 108 THR HG2 . 10129 1 1296 . 1 1 108 108 THR HG23 H 1 1.308 0.030 . 1 . . . . 108 THR HG2 . 10129 1 1297 . 1 1 108 108 THR C C 13 174.899 0.300 . 1 . . . . 108 THR C . 10129 1 1298 . 1 1 108 108 THR CA C 13 62.015 0.300 . 1 . . . . 108 THR CA . 10129 1 1299 . 1 1 108 108 THR CB C 13 70.315 0.300 . 1 . . . . 108 THR CB . 10129 1 1300 . 1 1 108 108 THR CG2 C 13 22.685 0.300 . 1 . . . . 108 THR CG2 . 10129 1 1301 . 1 1 108 108 THR N N 15 112.291 0.300 . 1 . . . . 108 THR N . 10129 1 1302 . 1 1 109 109 GLU H H 1 8.455 0.030 . 1 . . . . 109 GLU H . 10129 1 1303 . 1 1 109 109 GLU HA H 1 4.361 0.030 . 1 . . . . 109 GLU HA . 10129 1 1304 . 1 1 109 109 GLU HB2 H 1 2.197 0.030 . 2 . . . . 109 GLU HB2 . 10129 1 1305 . 1 1 109 109 GLU HB3 H 1 2.139 0.030 . 2 . . . . 109 GLU HB3 . 10129 1 1306 . 1 1 109 109 GLU HG2 H 1 2.527 0.030 . 2 . . . . 109 GLU HG2 . 10129 1 1307 . 1 1 109 109 GLU HG3 H 1 2.470 0.030 . 2 . . . . 109 GLU HG3 . 10129 1 1308 . 1 1 109 109 GLU C C 13 177.724 0.300 . 1 . . . . 109 GLU C . 10129 1 1309 . 1 1 109 109 GLU CA C 13 56.894 0.300 . 1 . . . . 109 GLU CA . 10129 1 1310 . 1 1 109 109 GLU CB C 13 29.854 0.300 . 1 . . . . 109 GLU CB . 10129 1 1311 . 1 1 109 109 GLU CG C 13 36.661 0.300 . 1 . . . . 109 GLU CG . 10129 1 1312 . 1 1 109 109 GLU N N 15 120.105 0.300 . 1 . . . . 109 GLU N . 10129 1 1313 . 1 1 110 110 ARG H H 1 8.920 0.030 . 1 . . . . 110 ARG H . 10129 1 1314 . 1 1 110 110 ARG HA H 1 4.187 0.030 . 1 . . . . 110 ARG HA . 10129 1 1315 . 1 1 110 110 ARG HB2 H 1 1.665 0.030 . 2 . . . . 110 ARG HB2 . 10129 1 1316 . 1 1 110 110 ARG HB3 H 1 1.620 0.030 . 2 . . . . 110 ARG HB3 . 10129 1 1317 . 1 1 110 110 ARG HG2 H 1 1.543 0.030 . 2 . . . . 110 ARG HG2 . 10129 1 1318 . 1 1 110 110 ARG HG3 H 1 1.395 0.030 . 2 . . . . 110 ARG HG3 . 10129 1 1319 . 1 1 110 110 ARG HD2 H 1 3.082 0.030 . 1 . . . . 110 ARG HD2 . 10129 1 1320 . 1 1 110 110 ARG HD3 H 1 3.082 0.030 . 1 . . . . 110 ARG HD3 . 10129 1 1321 . 1 1 110 110 ARG C C 13 175.762 0.300 . 1 . . . . 110 ARG C . 10129 1 1322 . 1 1 110 110 ARG CA C 13 57.469 0.300 . 1 . . . . 110 ARG CA . 10129 1 1323 . 1 1 110 110 ARG CB C 13 30.819 0.300 . 1 . . . . 110 ARG CB . 10129 1 1324 . 1 1 110 110 ARG CG C 13 27.936 0.300 . 1 . . . . 110 ARG CG . 10129 1 1325 . 1 1 110 110 ARG CD C 13 43.294 0.300 . 1 . . . . 110 ARG CD . 10129 1 1326 . 1 1 110 110 ARG N N 15 124.841 0.300 . 1 . . . . 110 ARG N . 10129 1 1327 . 1 1 111 111 VAL H H 1 8.388 0.030 . 1 . . . . 111 VAL H . 10129 1 1328 . 1 1 111 111 VAL HA H 1 4.527 0.030 . 1 . . . . 111 VAL HA . 10129 1 1329 . 1 1 111 111 VAL HB H 1 2.059 0.030 . 1 . . . . 111 VAL HB . 10129 1 1330 . 1 1 111 111 VAL HG11 H 1 0.982 0.030 . 1 . . . . 111 VAL HG1 . 10129 1 1331 . 1 1 111 111 VAL HG12 H 1 0.982 0.030 . 1 . . . . 111 VAL HG1 . 10129 1 1332 . 1 1 111 111 VAL HG13 H 1 0.982 0.030 . 1 . . . . 111 VAL HG1 . 10129 1 1333 . 1 1 111 111 VAL HG21 H 1 1.045 0.030 . 1 . . . . 111 VAL HG2 . 10129 1 1334 . 1 1 111 111 VAL HG22 H 1 1.045 0.030 . 1 . . . . 111 VAL HG2 . 10129 1 1335 . 1 1 111 111 VAL HG23 H 1 1.045 0.030 . 1 . . . . 111 VAL HG2 . 10129 1 1336 . 1 1 111 111 VAL C C 13 174.623 0.300 . 1 . . . . 111 VAL C . 10129 1 1337 . 1 1 111 111 VAL CA C 13 60.856 0.300 . 1 . . . . 111 VAL CA . 10129 1 1338 . 1 1 111 111 VAL CB C 13 35.709 0.300 . 1 . . . . 111 VAL CB . 10129 1 1339 . 1 1 111 111 VAL CG1 C 13 22.060 0.300 . 2 . . . . 111 VAL CG1 . 10129 1 1340 . 1 1 111 111 VAL CG2 C 13 21.452 0.300 . 2 . . . . 111 VAL CG2 . 10129 1 1341 . 1 1 111 111 VAL N N 15 123.215 0.300 . 1 . . . . 111 VAL N . 10129 1 1342 . 1 1 112 112 SER H H 1 8.627 0.030 . 1 . . . . 112 SER H . 10129 1 1343 . 1 1 112 112 SER HA H 1 5.205 0.030 . 1 . . . . 112 SER HA . 10129 1 1344 . 1 1 112 112 SER HB2 H 1 3.662 0.030 . 2 . . . . 112 SER HB2 . 10129 1 1345 . 1 1 112 112 SER HB3 H 1 3.581 0.030 . 2 . . . . 112 SER HB3 . 10129 1 1346 . 1 1 112 112 SER C C 13 173.647 0.300 . 1 . . . . 112 SER C . 10129 1 1347 . 1 1 112 112 SER CA C 13 56.848 0.300 . 1 . . . . 112 SER CA . 10129 1 1348 . 1 1 112 112 SER CB C 13 64.465 0.300 . 1 . . . . 112 SER CB . 10129 1 1349 . 1 1 112 112 SER N N 15 120.826 0.300 . 1 . . . . 112 SER N . 10129 1 1350 . 1 1 113 113 LEU H H 1 8.699 0.030 . 1 . . . . 113 LEU H . 10129 1 1351 . 1 1 113 113 LEU HA H 1 4.685 0.030 . 1 . . . . 113 LEU HA . 10129 1 1352 . 1 1 113 113 LEU HB2 H 1 1.903 0.030 . 2 . . . . 113 LEU HB2 . 10129 1 1353 . 1 1 113 113 LEU HB3 H 1 1.791 0.030 . 2 . . . . 113 LEU HB3 . 10129 1 1354 . 1 1 113 113 LEU HG H 1 1.759 0.030 . 1 . . . . 113 LEU HG . 10129 1 1355 . 1 1 113 113 LEU HD11 H 1 0.738 0.030 . 1 . . . . 113 LEU HD1 . 10129 1 1356 . 1 1 113 113 LEU HD12 H 1 0.738 0.030 . 1 . . . . 113 LEU HD1 . 10129 1 1357 . 1 1 113 113 LEU HD13 H 1 0.738 0.030 . 1 . . . . 113 LEU HD1 . 10129 1 1358 . 1 1 113 113 LEU HD21 H 1 0.812 0.030 . 1 . . . . 113 LEU HD2 . 10129 1 1359 . 1 1 113 113 LEU HD22 H 1 0.812 0.030 . 1 . . . . 113 LEU HD2 . 10129 1 1360 . 1 1 113 113 LEU HD23 H 1 0.812 0.030 . 1 . . . . 113 LEU HD2 . 10129 1 1361 . 1 1 113 113 LEU C C 13 175.867 0.300 . 1 . . . . 113 LEU C . 10129 1 1362 . 1 1 113 113 LEU CA C 13 53.054 0.300 . 1 . . . . 113 LEU CA . 10129 1 1363 . 1 1 113 113 LEU CB C 13 42.590 0.300 . 1 . . . . 113 LEU CB . 10129 1 1364 . 1 1 113 113 LEU CG C 13 29.292 0.300 . 1 . . . . 113 LEU CG . 10129 1 1365 . 1 1 113 113 LEU CD1 C 13 25.914 0.300 . 2 . . . . 113 LEU CD1 . 10129 1 1366 . 1 1 113 113 LEU CD2 C 13 25.374 0.300 . 2 . . . . 113 LEU CD2 . 10129 1 1367 . 1 1 113 113 LEU N N 15 127.414 0.300 . 1 . . . . 113 LEU N . 10129 1 1368 . 1 1 114 114 PRO HA H 1 4.527 0.030 . 1 . . . . 114 PRO HA . 10129 1 1369 . 1 1 114 114 PRO HB2 H 1 2.363 0.030 . 2 . . . . 114 PRO HB2 . 10129 1 1370 . 1 1 114 114 PRO HB3 H 1 2.026 0.030 . 2 . . . . 114 PRO HB3 . 10129 1 1371 . 1 1 114 114 PRO HG2 H 1 2.087 0.030 . 2 . . . . 114 PRO HG2 . 10129 1 1372 . 1 1 114 114 PRO HG3 H 1 2.053 0.030 . 2 . . . . 114 PRO HG3 . 10129 1 1373 . 1 1 114 114 PRO HD2 H 1 4.019 0.030 . 2 . . . . 114 PRO HD2 . 10129 1 1374 . 1 1 114 114 PRO HD3 H 1 3.776 0.030 . 2 . . . . 114 PRO HD3 . 10129 1 1375 . 1 1 114 114 PRO C C 13 176.658 0.300 . 1 . . . . 114 PRO C . 10129 1 1376 . 1 1 114 114 PRO CA C 13 62.586 0.300 . 1 . . . . 114 PRO CA . 10129 1 1377 . 1 1 114 114 PRO CB C 13 32.567 0.300 . 1 . . . . 114 PRO CB . 10129 1 1378 . 1 1 114 114 PRO CG C 13 27.160 0.300 . 1 . . . . 114 PRO CG . 10129 1 1379 . 1 1 114 114 PRO CD C 13 51.067 0.300 . 1 . . . . 114 PRO CD . 10129 1 1380 . 1 1 115 115 GLU H H 1 8.660 0.030 . 1 . . . . 115 GLU H . 10129 1 1381 . 1 1 115 115 GLU HA H 1 4.216 0.030 . 1 . . . . 115 GLU HA . 10129 1 1382 . 1 1 115 115 GLU HB2 H 1 2.085 0.030 . 2 . . . . 115 GLU HB2 . 10129 1 1383 . 1 1 115 115 GLU HB3 H 1 1.978 0.030 . 2 . . . . 115 GLU HB3 . 10129 1 1384 . 1 1 115 115 GLU HG2 H 1 2.294 0.030 . 1 . . . . 115 GLU HG2 . 10129 1 1385 . 1 1 115 115 GLU HG3 H 1 2.294 0.030 . 1 . . . . 115 GLU HG3 . 10129 1 1386 . 1 1 115 115 GLU C C 13 176.358 0.300 . 1 . . . . 115 GLU C . 10129 1 1387 . 1 1 115 115 GLU CA C 13 56.992 0.300 . 1 . . . . 115 GLU CA . 10129 1 1388 . 1 1 115 115 GLU CB C 13 30.511 0.300 . 1 . . . . 115 GLU CB . 10129 1 1389 . 1 1 115 115 GLU CG C 13 36.402 0.300 . 1 . . . . 115 GLU CG . 10129 1 1390 . 1 1 115 115 GLU N N 15 120.024 0.300 . 1 . . . . 115 GLU N . 10129 1 1391 . 1 1 116 116 SER H H 1 8.468 0.030 . 1 . . . . 116 SER H . 10129 1 1392 . 1 1 116 116 SER HA H 1 4.510 0.030 . 1 . . . . 116 SER HA . 10129 1 1393 . 1 1 116 116 SER HB2 H 1 3.860 0.030 . 2 . . . . 116 SER HB2 . 10129 1 1394 . 1 1 116 116 SER HB3 H 1 3.852 0.030 . 2 . . . . 116 SER HB3 . 10129 1 1395 . 1 1 116 116 SER C C 13 174.505 0.300 . 1 . . . . 116 SER C . 10129 1 1396 . 1 1 116 116 SER CA C 13 58.285 0.300 . 1 . . . . 116 SER CA . 10129 1 1397 . 1 1 116 116 SER CB C 13 64.238 0.300 . 1 . . . . 116 SER CB . 10129 1 1398 . 1 1 116 116 SER N N 15 116.676 0.300 . 1 . . . . 116 SER N . 10129 1 1399 . 1 1 117 117 GLY H H 1 8.346 0.030 . 1 . . . . 117 GLY H . 10129 1 1400 . 1 1 117 117 GLY HA2 H 1 4.195 0.030 . 2 . . . . 117 GLY HA2 . 10129 1 1401 . 1 1 117 117 GLY HA3 H 1 4.109 0.030 . 2 . . . . 117 GLY HA3 . 10129 1 1402 . 1 1 117 117 GLY C C 13 171.871 0.300 . 1 . . . . 117 GLY C . 10129 1 1403 . 1 1 117 117 GLY CA C 13 44.764 0.300 . 1 . . . . 117 GLY CA . 10129 1 1404 . 1 1 117 117 GLY N N 15 110.716 0.300 . 1 . . . . 117 GLY N . 10129 1 1405 . 1 1 118 118 PRO HA H 1 4.472 0.030 . 1 . . . . 118 PRO HA . 10129 1 1406 . 1 1 118 118 PRO HB2 H 1 2.304 0.030 . 2 . . . . 118 PRO HB2 . 10129 1 1407 . 1 1 118 118 PRO HB3 H 1 1.981 0.030 . 2 . . . . 118 PRO HB3 . 10129 1 1408 . 1 1 118 118 PRO HG2 H 1 2.023 0.030 . 1 . . . . 118 PRO HG2 . 10129 1 1409 . 1 1 118 118 PRO HG3 H 1 2.023 0.030 . 1 . . . . 118 PRO HG3 . 10129 1 1410 . 1 1 118 118 PRO HD2 H 1 3.637 0.030 . 1 . . . . 118 PRO HD2 . 10129 1 1411 . 1 1 118 118 PRO HD3 H 1 3.637 0.030 . 1 . . . . 118 PRO HD3 . 10129 1 1412 . 1 1 118 118 PRO C C 13 177.432 0.300 . 1 . . . . 118 PRO C . 10129 1 1413 . 1 1 118 118 PRO CA C 13 63.410 0.300 . 1 . . . . 118 PRO CA . 10129 1 1414 . 1 1 118 118 PRO CB C 13 32.236 0.300 . 1 . . . . 118 PRO CB . 10129 1 1415 . 1 1 118 118 PRO CG C 13 27.210 0.300 . 1 . . . . 118 PRO CG . 10129 1 1416 . 1 1 118 118 PRO CD C 13 49.800 0.300 . 1 . . . . 118 PRO CD . 10129 1 1417 . 1 1 119 119 SER H H 1 8.539 0.030 . 1 . . . . 119 SER H . 10129 1 1418 . 1 1 119 119 SER HA H 1 4.472 0.030 . 1 . . . . 119 SER HA . 10129 1 1419 . 1 1 119 119 SER HB2 H 1 3.931 0.030 . 1 . . . . 119 SER HB2 . 10129 1 1420 . 1 1 119 119 SER HB3 H 1 3.931 0.030 . 1 . . . . 119 SER HB3 . 10129 1 1421 . 1 1 119 119 SER C C 13 174.622 0.300 . 1 . . . . 119 SER C . 10129 1 1422 . 1 1 119 119 SER CA C 13 58.713 0.300 . 1 . . . . 119 SER CA . 10129 1 1423 . 1 1 119 119 SER CB C 13 63.787 0.300 . 1 . . . . 119 SER CB . 10129 1 1424 . 1 1 119 119 SER N N 15 116.079 0.300 . 1 . . . . 119 SER N . 10129 1 1425 . 1 1 120 120 SER H H 1 8.283 0.030 . 1 . . . . 120 SER H . 10129 1 1426 . 1 1 120 120 SER HA H 1 4.495 0.030 . 1 . . . . 120 SER HA . 10129 1 1427 . 1 1 120 120 SER HB2 H 1 3.906 0.030 . 1 . . . . 120 SER HB2 . 10129 1 1428 . 1 1 120 120 SER HB3 H 1 3.906 0.030 . 1 . . . . 120 SER HB3 . 10129 1 1429 . 1 1 120 120 SER C C 13 173.931 0.300 . 1 . . . . 120 SER C . 10129 1 1430 . 1 1 120 120 SER CA C 13 58.498 0.300 . 1 . . . . 120 SER CA . 10129 1 1431 . 1 1 120 120 SER CB C 13 64.098 0.300 . 1 . . . . 120 SER CB . 10129 1 1432 . 1 1 120 120 SER N N 15 117.597 0.300 . 1 . . . . 120 SER N . 10129 1 1433 . 1 1 121 121 GLY H H 1 8.050 0.030 . 1 . . . . 121 GLY H . 10129 1 1434 . 1 1 121 121 GLY HA2 H 1 3.805 0.030 . 2 . . . . 121 GLY HA2 . 10129 1 1435 . 1 1 121 121 GLY HA3 H 1 3.749 0.030 . 2 . . . . 121 GLY HA3 . 10129 1 1436 . 1 1 121 121 GLY C C 13 178.995 0.300 . 1 . . . . 121 GLY C . 10129 1 1437 . 1 1 121 121 GLY CA C 13 46.258 0.300 . 1 . . . . 121 GLY CA . 10129 1 1438 . 1 1 121 121 GLY N N 15 116.773 0.300 . 1 . . . . 121 GLY N . 10129 1 stop_ save_