data_10046 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10046 _Entry.Title ; Solution structure of the PB1 domain of mouse mitogen activated protein kinase kinase 5 (MAP2K5) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-09 _Entry.Accession_date 2006-11-09 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 M. Yoneyama . . . 10046 2 F. Hayashi . . . 10046 3 N. Tochio . . . 10046 4 S. Koshiba . . . 10046 5 M. Inoue . . . 10046 6 T. Kigawa . . . 10046 7 S. Yokoyama . . . 10046 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10046 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10046 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 473 10046 '15N chemical shifts' 108 10046 '1H chemical shifts' 743 10046 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 . . 2008-08-13 2006-11-09 original author . 10046 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WI0 'BMRB Entry Tracking System' 10046 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10046 _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 PB1 domain of mouse mitogen activated protein kinase kinase 5 (MAP2K5) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 M. Yoneyama . . . 10046 1 2 F. Hayashi . . . 10046 1 3 N. Tochio . . . 10046 1 4 S. Koshiba . . . 10046 1 5 M. Inoue . . . 10046 1 6 T. Kigawa . . . 10046 1 7 S. Yokoyama . . . 10046 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10046 _Assembly.ID 1 _Assembly.Name 'Mitogen activated protein kinase kinase 5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10046 1 stop_ 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 'Mitogen activated protein kinase kinase 5' 1 $entity_1 . . yes native no no . . . 10046 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 1WI0 . . . . . . 10046 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10046 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PB1 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 ; GSSGSSGPFCAMENQVLVIR IKIPNSGAVDWTVHSGPQLL FRDVLDVIGQVLPEATTTAF EYEDEDGDRITVRSDEEMKA MLSYYYSTVMEQQVNGQLIE PLQIFPRSGPSSG ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WI0 . "Solution Structure Of The Pb1 Domain Of Mouse Mitogen Activated Protein Kinase Kinase 5 (Map2k5)" . . . . . 100.00 113 100.00 100.00 3.01e-76 . . . . 10046 1 2 no DBJ BAB32187 . "unnamed protein product [Mus musculus]" . . . . . 89.38 118 100.00 100.00 2.19e-67 . . . . 10046 1 3 no GB EDL26038 . "mitogen activated protein kinase kinase 5, isoform CRA_b [Mus musculus]" . . . . . 89.38 118 100.00 100.00 2.19e-67 . . . . 10046 1 4 no GB EDL95771 . "mitogen activated protein kinase kinase 5, isoform CRA_e [Rattus norvegicus]" . . . . . 89.38 114 99.01 99.01 3.71e-66 . . . . 10046 1 5 no GB EGW04324 . "Dual specificity mitogen-activated protein kinase kinase 5 [Cricetulus griseus]" . . . . . 90.27 719 98.04 99.02 1.09e-60 . . . . 10046 1 6 no GB ELK05300 . "Ladybird homeobox corepressor 1 [Pteropus alecto]" . . . . . 90.27 1243 98.04 99.02 2.11e-59 . . . . 10046 1 7 no GB ELW62370 . "Dual specificity mitogen-activated protein kinase kinase 5 [Tupaia chinensis]" . . . . . 89.38 318 97.03 98.02 8.66e-62 . . . . 10046 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PB1 domain' . 10046 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 . 10046 1 2 . SER . 10046 1 3 . SER . 10046 1 4 . GLY . 10046 1 5 . SER . 10046 1 6 . SER . 10046 1 7 . GLY . 10046 1 8 . PRO . 10046 1 9 . PHE . 10046 1 10 . CYS . 10046 1 11 . ALA . 10046 1 12 . MET . 10046 1 13 . GLU . 10046 1 14 . ASN . 10046 1 15 . GLN . 10046 1 16 . VAL . 10046 1 17 . LEU . 10046 1 18 . VAL . 10046 1 19 . ILE . 10046 1 20 . ARG . 10046 1 21 . ILE . 10046 1 22 . LYS . 10046 1 23 . ILE . 10046 1 24 . PRO . 10046 1 25 . ASN . 10046 1 26 . SER . 10046 1 27 . GLY . 10046 1 28 . ALA . 10046 1 29 . VAL . 10046 1 30 . ASP . 10046 1 31 . TRP . 10046 1 32 . THR . 10046 1 33 . VAL . 10046 1 34 . HIS . 10046 1 35 . SER . 10046 1 36 . GLY . 10046 1 37 . PRO . 10046 1 38 . GLN . 10046 1 39 . LEU . 10046 1 40 . LEU . 10046 1 41 . PHE . 10046 1 42 . ARG . 10046 1 43 . ASP . 10046 1 44 . VAL . 10046 1 45 . LEU . 10046 1 46 . ASP . 10046 1 47 . VAL . 10046 1 48 . ILE . 10046 1 49 . GLY . 10046 1 50 . GLN . 10046 1 51 . VAL . 10046 1 52 . LEU . 10046 1 53 . PRO . 10046 1 54 . GLU . 10046 1 55 . ALA . 10046 1 56 . THR . 10046 1 57 . THR . 10046 1 58 . THR . 10046 1 59 . ALA . 10046 1 60 . PHE . 10046 1 61 . GLU . 10046 1 62 . TYR . 10046 1 63 . GLU . 10046 1 64 . ASP . 10046 1 65 . GLU . 10046 1 66 . ASP . 10046 1 67 . GLY . 10046 1 68 . ASP . 10046 1 69 . ARG . 10046 1 70 . ILE . 10046 1 71 . THR . 10046 1 72 . VAL . 10046 1 73 . ARG . 10046 1 74 . SER . 10046 1 75 . ASP . 10046 1 76 . GLU . 10046 1 77 . GLU . 10046 1 78 . MET . 10046 1 79 . LYS . 10046 1 80 . ALA . 10046 1 81 . MET . 10046 1 82 . LEU . 10046 1 83 . SER . 10046 1 84 . TYR . 10046 1 85 . TYR . 10046 1 86 . TYR . 10046 1 87 . SER . 10046 1 88 . THR . 10046 1 89 . VAL . 10046 1 90 . MET . 10046 1 91 . GLU . 10046 1 92 . GLN . 10046 1 93 . GLN . 10046 1 94 . VAL . 10046 1 95 . ASN . 10046 1 96 . GLY . 10046 1 97 . GLN . 10046 1 98 . LEU . 10046 1 99 . ILE . 10046 1 100 . GLU . 10046 1 101 . PRO . 10046 1 102 . LEU . 10046 1 103 . GLN . 10046 1 104 . ILE . 10046 1 105 . PHE . 10046 1 106 . PRO . 10046 1 107 . ARG . 10046 1 108 . SER . 10046 1 109 . GLY . 10046 1 110 . PRO . 10046 1 111 . SER . 10046 1 112 . SER . 10046 1 113 . GLY . 10046 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 10046 1 . SER 2 2 10046 1 . SER 3 3 10046 1 . GLY 4 4 10046 1 . SER 5 5 10046 1 . SER 6 6 10046 1 . GLY 7 7 10046 1 . PRO 8 8 10046 1 . PHE 9 9 10046 1 . CYS 10 10 10046 1 . ALA 11 11 10046 1 . MET 12 12 10046 1 . GLU 13 13 10046 1 . ASN 14 14 10046 1 . GLN 15 15 10046 1 . VAL 16 16 10046 1 . LEU 17 17 10046 1 . VAL 18 18 10046 1 . ILE 19 19 10046 1 . ARG 20 20 10046 1 . ILE 21 21 10046 1 . LYS 22 22 10046 1 . ILE 23 23 10046 1 . PRO 24 24 10046 1 . ASN 25 25 10046 1 . SER 26 26 10046 1 . GLY 27 27 10046 1 . ALA 28 28 10046 1 . VAL 29 29 10046 1 . ASP 30 30 10046 1 . TRP 31 31 10046 1 . THR 32 32 10046 1 . VAL 33 33 10046 1 . HIS 34 34 10046 1 . SER 35 35 10046 1 . GLY 36 36 10046 1 . PRO 37 37 10046 1 . GLN 38 38 10046 1 . LEU 39 39 10046 1 . LEU 40 40 10046 1 . PHE 41 41 10046 1 . ARG 42 42 10046 1 . ASP 43 43 10046 1 . VAL 44 44 10046 1 . LEU 45 45 10046 1 . ASP 46 46 10046 1 . VAL 47 47 10046 1 . ILE 48 48 10046 1 . GLY 49 49 10046 1 . GLN 50 50 10046 1 . VAL 51 51 10046 1 . LEU 52 52 10046 1 . PRO 53 53 10046 1 . GLU 54 54 10046 1 . ALA 55 55 10046 1 . THR 56 56 10046 1 . THR 57 57 10046 1 . THR 58 58 10046 1 . ALA 59 59 10046 1 . PHE 60 60 10046 1 . GLU 61 61 10046 1 . TYR 62 62 10046 1 . GLU 63 63 10046 1 . ASP 64 64 10046 1 . GLU 65 65 10046 1 . ASP 66 66 10046 1 . GLY 67 67 10046 1 . ASP 68 68 10046 1 . ARG 69 69 10046 1 . ILE 70 70 10046 1 . THR 71 71 10046 1 . VAL 72 72 10046 1 . ARG 73 73 10046 1 . SER 74 74 10046 1 . ASP 75 75 10046 1 . GLU 76 76 10046 1 . GLU 77 77 10046 1 . MET 78 78 10046 1 . LYS 79 79 10046 1 . ALA 80 80 10046 1 . MET 81 81 10046 1 . LEU 82 82 10046 1 . SER 83 83 10046 1 . TYR 84 84 10046 1 . TYR 85 85 10046 1 . TYR 86 86 10046 1 . SER 87 87 10046 1 . THR 88 88 10046 1 . VAL 89 89 10046 1 . MET 90 90 10046 1 . GLU 91 91 10046 1 . GLN 92 92 10046 1 . GLN 93 93 10046 1 . VAL 94 94 10046 1 . ASN 95 95 10046 1 . GLY 96 96 10046 1 . GLN 97 97 10046 1 . LEU 98 98 10046 1 . ILE 99 99 10046 1 . GLU 100 100 10046 1 . PRO 101 101 10046 1 . LEU 102 102 10046 1 . GLN 103 103 10046 1 . ILE 104 104 10046 1 . PHE 105 105 10046 1 . PRO 106 106 10046 1 . ARG 107 107 10046 1 . SER 108 108 10046 1 . GLY 109 109 10046 1 . PRO 110 110 10046 1 . SER 111 111 10046 1 . SER 112 112 10046 1 . GLY 113 113 10046 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 10046 _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 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10046 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 10046 _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 . . P031125-28 . . . . . . 10046 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10046 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'PB1 domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 10046 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10046 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10046 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10046 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10046 1 6 H2O . . . . . . solvent 90 . . % . . . . 10046 1 7 D2O . . . . . . solvent 10 . . % . . . . 10046 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 10046 _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 10046 1 pH 7.0 0.05 pH 10046 1 pressure 1 0.001 atm 10046 1 temperature 297 0.1 K 10046 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10046 _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 . . 10046 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10046 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10046 _Software.ID 2 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Jhonson, B.A.' . . 10046 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10046 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10046 _Software.ID 3 _Software.Name Kujira _Software.Version 0.896 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10046 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10046 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10046 _Software.ID 4 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10046 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10046 4 'structure solution' 10046 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10046 _Software.ID 5 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10046 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10046 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 10046 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10046 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10046 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10046 1 stop_ save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10046 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10046 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10046 _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 . . . . . . . . . 10046 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10046 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10046 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 10046 _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 15N-separated NOESY' 1 $sample_1 isotropic 10046 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10046 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 7 7 GLY HA2 H 1 4.093 0.030 . 1 . . . . 7 GLY HA2 . 10046 1 2 . 1 1 7 7 GLY HA3 H 1 4.093 0.030 . 1 . . . . 7 GLY HA3 . 10046 1 3 . 1 1 7 7 GLY CA C 13 44.792 0.300 . 1 . . . . 7 GLY CA . 10046 1 4 . 1 1 8 8 PRO HA H 1 4.340 0.030 . 1 . . . . 8 PRO HA . 10046 1 5 . 1 1 8 8 PRO HB2 H 1 2.127 0.030 . 2 . . . . 8 PRO HB2 . 10046 1 6 . 1 1 8 8 PRO HB3 H 1 1.695 0.030 . 2 . . . . 8 PRO HB3 . 10046 1 7 . 1 1 8 8 PRO HG2 H 1 1.912 0.030 . 2 . . . . 8 PRO HG2 . 10046 1 8 . 1 1 8 8 PRO HG3 H 1 1.766 0.030 . 2 . . . . 8 PRO HG3 . 10046 1 9 . 1 1 8 8 PRO HD2 H 1 3.548 0.030 . 1 . . . . 8 PRO HD2 . 10046 1 10 . 1 1 8 8 PRO HD3 H 1 3.548 0.030 . 1 . . . . 8 PRO HD3 . 10046 1 11 . 1 1 8 8 PRO C C 13 176.857 0.300 . 1 . . . . 8 PRO C . 10046 1 12 . 1 1 8 8 PRO CA C 13 63.296 0.300 . 1 . . . . 8 PRO CA . 10046 1 13 . 1 1 8 8 PRO CB C 13 32.037 0.300 . 1 . . . . 8 PRO CB . 10046 1 14 . 1 1 8 8 PRO CG C 13 27.072 0.300 . 1 . . . . 8 PRO CG . 10046 1 15 . 1 1 8 8 PRO CD C 13 49.769 0.300 . 1 . . . . 8 PRO CD . 10046 1 16 . 1 1 9 9 PHE H H 1 8.243 0.030 . 1 . . . . 9 PHE H . 10046 1 17 . 1 1 9 9 PHE HA H 1 4.560 0.030 . 1 . . . . 9 PHE HA . 10046 1 18 . 1 1 9 9 PHE HB2 H 1 3.099 0.030 . 2 . . . . 9 PHE HB2 . 10046 1 19 . 1 1 9 9 PHE HB3 H 1 3.027 0.030 . 2 . . . . 9 PHE HB3 . 10046 1 20 . 1 1 9 9 PHE HD1 H 1 7.213 0.030 . 1 . . . . 9 PHE HD1 . 10046 1 21 . 1 1 9 9 PHE HD2 H 1 7.213 0.030 . 1 . . . . 9 PHE HD2 . 10046 1 22 . 1 1 9 9 PHE HE1 H 1 7.318 0.030 . 1 . . . . 9 PHE HE1 . 10046 1 23 . 1 1 9 9 PHE HE2 H 1 7.318 0.030 . 1 . . . . 9 PHE HE2 . 10046 1 24 . 1 1 9 9 PHE HZ H 1 7.280 0.030 . 1 . . . . 9 PHE HZ . 10046 1 25 . 1 1 9 9 PHE C C 13 175.667 0.300 . 1 . . . . 9 PHE C . 10046 1 26 . 1 1 9 9 PHE CA C 13 57.879 0.300 . 1 . . . . 9 PHE CA . 10046 1 27 . 1 1 9 9 PHE CB C 13 39.209 0.300 . 1 . . . . 9 PHE CB . 10046 1 28 . 1 1 9 9 PHE CD1 C 13 131.761 0.300 . 1 . . . . 9 PHE CD1 . 10046 1 29 . 1 1 9 9 PHE CD2 C 13 131.761 0.300 . 1 . . . . 9 PHE CD2 . 10046 1 30 . 1 1 9 9 PHE CE1 C 13 131.525 0.300 . 1 . . . . 9 PHE CE1 . 10046 1 31 . 1 1 9 9 PHE CE2 C 13 131.525 0.300 . 1 . . . . 9 PHE CE2 . 10046 1 32 . 1 1 9 9 PHE CZ C 13 129.827 0.300 . 1 . . . . 9 PHE CZ . 10046 1 33 . 1 1 9 9 PHE N N 15 119.637 0.300 . 1 . . . . 9 PHE N . 10046 1 34 . 1 1 10 10 CYS H H 1 7.999 0.030 . 1 . . . . 10 CYS H . 10046 1 35 . 1 1 10 10 CYS HA H 1 4.332 0.030 . 1 . . . . 10 CYS HA . 10046 1 36 . 1 1 10 10 CYS HB2 H 1 2.806 0.030 . 1 . . . . 10 CYS HB2 . 10046 1 37 . 1 1 10 10 CYS HB3 H 1 2.806 0.030 . 1 . . . . 10 CYS HB3 . 10046 1 38 . 1 1 10 10 CYS C C 13 174.014 0.300 . 1 . . . . 10 CYS C . 10046 1 39 . 1 1 10 10 CYS CA C 13 58.648 0.300 . 1 . . . . 10 CYS CA . 10046 1 40 . 1 1 10 10 CYS CB C 13 28.160 0.300 . 1 . . . . 10 CYS CB . 10046 1 41 . 1 1 10 10 CYS N N 15 121.030 0.300 . 1 . . . . 10 CYS N . 10046 1 42 . 1 1 11 11 ALA H H 1 8.222 0.030 . 1 . . . . 11 ALA H . 10046 1 43 . 1 1 11 11 ALA HA H 1 4.208 0.030 . 1 . . . . 11 ALA HA . 10046 1 44 . 1 1 11 11 ALA HB1 H 1 1.346 0.030 . 1 . . . . 11 ALA HB . 10046 1 45 . 1 1 11 11 ALA HB2 H 1 1.346 0.030 . 1 . . . . 11 ALA HB . 10046 1 46 . 1 1 11 11 ALA HB3 H 1 1.346 0.030 . 1 . . . . 11 ALA HB . 10046 1 47 . 1 1 11 11 ALA C C 13 177.623 0.300 . 1 . . . . 11 ALA C . 10046 1 48 . 1 1 11 11 ALA CA C 13 52.811 0.300 . 1 . . . . 11 ALA CA . 10046 1 49 . 1 1 11 11 ALA CB C 13 19.153 0.300 . 1 . . . . 11 ALA CB . 10046 1 50 . 1 1 11 11 ALA N N 15 126.053 0.300 . 1 . . . . 11 ALA N . 10046 1 51 . 1 1 12 12 MET H H 1 8.076 0.030 . 1 . . . . 12 MET H . 10046 1 52 . 1 1 12 12 MET HA H 1 4.332 0.030 . 1 . . . . 12 MET HA . 10046 1 53 . 1 1 12 12 MET HB2 H 1 1.988 0.030 . 2 . . . . 12 MET HB2 . 10046 1 54 . 1 1 12 12 MET HB3 H 1 1.878 0.030 . 2 . . . . 12 MET HB3 . 10046 1 55 . 1 1 12 12 MET HG2 H 1 2.466 0.030 . 2 . . . . 12 MET HG2 . 10046 1 56 . 1 1 12 12 MET HG3 H 1 2.414 0.030 . 2 . . . . 12 MET HG3 . 10046 1 57 . 1 1 12 12 MET C C 13 176.466 0.300 . 1 . . . . 12 MET C . 10046 1 58 . 1 1 12 12 MET CA C 13 55.744 0.300 . 1 . . . . 12 MET CA . 10046 1 59 . 1 1 12 12 MET CB C 13 32.858 0.300 . 1 . . . . 12 MET CB . 10046 1 60 . 1 1 12 12 MET CG C 13 32.230 0.300 . 1 . . . . 12 MET CG . 10046 1 61 . 1 1 12 12 MET N N 15 118.575 0.300 . 1 . . . . 12 MET N . 10046 1 62 . 1 1 13 13 GLU H H 1 8.348 0.030 . 1 . . . . 13 GLU H . 10046 1 63 . 1 1 13 13 GLU HA H 1 4.116 0.030 . 1 . . . . 13 GLU HA . 10046 1 64 . 1 1 13 13 GLU HB2 H 1 1.978 0.030 . 2 . . . . 13 GLU HB2 . 10046 1 65 . 1 1 13 13 GLU HB3 H 1 1.911 0.030 . 2 . . . . 13 GLU HB3 . 10046 1 66 . 1 1 13 13 GLU HG2 H 1 2.208 0.030 . 1 . . . . 13 GLU HG2 . 10046 1 67 . 1 1 13 13 GLU HG3 H 1 2.208 0.030 . 1 . . . . 13 GLU HG3 . 10046 1 68 . 1 1 13 13 GLU C C 13 176.298 0.300 . 1 . . . . 13 GLU C . 10046 1 69 . 1 1 13 13 GLU CA C 13 57.452 0.300 . 1 . . . . 13 GLU CA . 10046 1 70 . 1 1 13 13 GLU CB C 13 30.049 0.300 . 1 . . . . 13 GLU CB . 10046 1 71 . 1 1 13 13 GLU CG C 13 36.306 0.300 . 1 . . . . 13 GLU CG . 10046 1 72 . 1 1 13 13 GLU N N 15 120.888 0.300 . 1 . . . . 13 GLU N . 10046 1 73 . 1 1 14 14 ASN H H 1 8.295 0.030 . 1 . . . . 14 ASN H . 10046 1 74 . 1 1 14 14 ASN HA H 1 4.662 0.030 . 1 . . . . 14 ASN HA . 10046 1 75 . 1 1 14 14 ASN HB2 H 1 2.846 0.030 . 2 . . . . 14 ASN HB2 . 10046 1 76 . 1 1 14 14 ASN HB3 H 1 2.726 0.030 . 2 . . . . 14 ASN HB3 . 10046 1 77 . 1 1 14 14 ASN HD21 H 1 7.535 0.030 . 2 . . . . 14 ASN HD21 . 10046 1 78 . 1 1 14 14 ASN HD22 H 1 6.874 0.030 . 2 . . . . 14 ASN HD22 . 10046 1 79 . 1 1 14 14 ASN C C 13 174.655 0.300 . 1 . . . . 14 ASN C . 10046 1 80 . 1 1 14 14 ASN CA C 13 53.514 0.300 . 1 . . . . 14 ASN CA . 10046 1 81 . 1 1 14 14 ASN CB C 13 38.779 0.300 . 1 . . . . 14 ASN CB . 10046 1 82 . 1 1 14 14 ASN N N 15 117.571 0.300 . 1 . . . . 14 ASN N . 10046 1 83 . 1 1 14 14 ASN ND2 N 15 112.786 0.300 . 1 . . . . 14 ASN ND2 . 10046 1 84 . 1 1 15 15 GLN H H 1 8.018 0.030 . 1 . . . . 15 GLN H . 10046 1 85 . 1 1 15 15 GLN HA H 1 4.370 0.030 . 1 . . . . 15 GLN HA . 10046 1 86 . 1 1 15 15 GLN HB2 H 1 2.090 0.030 . 2 . . . . 15 GLN HB2 . 10046 1 87 . 1 1 15 15 GLN HB3 H 1 1.943 0.030 . 2 . . . . 15 GLN HB3 . 10046 1 88 . 1 1 15 15 GLN HG2 H 1 2.272 0.030 . 1 . . . . 15 GLN HG2 . 10046 1 89 . 1 1 15 15 GLN HG3 H 1 2.272 0.030 . 1 . . . . 15 GLN HG3 . 10046 1 90 . 1 1 15 15 GLN HE21 H 1 7.421 0.030 . 2 . . . . 15 GLN HE21 . 10046 1 91 . 1 1 15 15 GLN HE22 H 1 6.743 0.030 . 2 . . . . 15 GLN HE22 . 10046 1 92 . 1 1 15 15 GLN C C 13 175.192 0.300 . 1 . . . . 15 GLN C . 10046 1 93 . 1 1 15 15 GLN CA C 13 55.551 0.300 . 1 . . . . 15 GLN CA . 10046 1 94 . 1 1 15 15 GLN CB C 13 29.963 0.300 . 1 . . . . 15 GLN CB . 10046 1 95 . 1 1 15 15 GLN CG C 13 33.899 0.300 . 1 . . . . 15 GLN CG . 10046 1 96 . 1 1 15 15 GLN N N 15 119.835 0.300 . 1 . . . . 15 GLN N . 10046 1 97 . 1 1 15 15 GLN NE2 N 15 112.087 0.300 . 1 . . . . 15 GLN NE2 . 10046 1 98 . 1 1 16 16 VAL H H 1 8.105 0.030 . 1 . . . . 16 VAL H . 10046 1 99 . 1 1 16 16 VAL HA H 1 4.251 0.030 . 1 . . . . 16 VAL HA . 10046 1 100 . 1 1 16 16 VAL HB H 1 1.891 0.030 . 1 . . . . 16 VAL HB . 10046 1 101 . 1 1 16 16 VAL HG11 H 1 0.816 0.030 . 1 . . . . 16 VAL HG1 . 10046 1 102 . 1 1 16 16 VAL HG12 H 1 0.816 0.030 . 1 . . . . 16 VAL HG1 . 10046 1 103 . 1 1 16 16 VAL HG13 H 1 0.816 0.030 . 1 . . . . 16 VAL HG1 . 10046 1 104 . 1 1 16 16 VAL HG21 H 1 0.729 0.030 . 1 . . . . 16 VAL HG2 . 10046 1 105 . 1 1 16 16 VAL HG22 H 1 0.729 0.030 . 1 . . . . 16 VAL HG2 . 10046 1 106 . 1 1 16 16 VAL HG23 H 1 0.729 0.030 . 1 . . . . 16 VAL HG2 . 10046 1 107 . 1 1 16 16 VAL C C 13 175.005 0.300 . 1 . . . . 16 VAL C . 10046 1 108 . 1 1 16 16 VAL CA C 13 62.008 0.300 . 1 . . . . 16 VAL CA . 10046 1 109 . 1 1 16 16 VAL CB C 13 33.071 0.300 . 1 . . . . 16 VAL CB . 10046 1 110 . 1 1 16 16 VAL CG1 C 13 21.037 0.300 . 2 . . . . 16 VAL CG1 . 10046 1 111 . 1 1 16 16 VAL CG2 C 13 21.316 0.300 . 2 . . . . 16 VAL CG2 . 10046 1 112 . 1 1 16 16 VAL N N 15 121.750 0.300 . 1 . . . . 16 VAL N . 10046 1 113 . 1 1 17 17 LEU H H 1 8.561 0.030 . 1 . . . . 17 LEU H . 10046 1 114 . 1 1 17 17 LEU HA H 1 4.550 0.030 . 1 . . . . 17 LEU HA . 10046 1 115 . 1 1 17 17 LEU HB2 H 1 1.491 0.030 . 2 . . . . 17 LEU HB2 . 10046 1 116 . 1 1 17 17 LEU HB3 H 1 1.600 0.030 . 2 . . . . 17 LEU HB3 . 10046 1 117 . 1 1 17 17 LEU HG H 1 1.210 0.030 . 1 . . . . 17 LEU HG . 10046 1 118 . 1 1 17 17 LEU HD11 H 1 0.584 0.030 . 1 . . . . 17 LEU HD1 . 10046 1 119 . 1 1 17 17 LEU HD12 H 1 0.584 0.030 . 1 . . . . 17 LEU HD1 . 10046 1 120 . 1 1 17 17 LEU HD13 H 1 0.584 0.030 . 1 . . . . 17 LEU HD1 . 10046 1 121 . 1 1 17 17 LEU HD21 H 1 0.633 0.030 . 1 . . . . 17 LEU HD2 . 10046 1 122 . 1 1 17 17 LEU HD22 H 1 0.633 0.030 . 1 . . . . 17 LEU HD2 . 10046 1 123 . 1 1 17 17 LEU HD23 H 1 0.633 0.030 . 1 . . . . 17 LEU HD2 . 10046 1 124 . 1 1 17 17 LEU C C 13 173.239 0.300 . 1 . . . . 17 LEU C . 10046 1 125 . 1 1 17 17 LEU CA C 13 54.294 0.300 . 1 . . . . 17 LEU CA . 10046 1 126 . 1 1 17 17 LEU CB C 13 44.443 0.300 . 1 . . . . 17 LEU CB . 10046 1 127 . 1 1 17 17 LEU CG C 13 27.344 0.300 . 1 . . . . 17 LEU CG . 10046 1 128 . 1 1 17 17 LEU CD1 C 13 24.553 0.300 . 2 . . . . 17 LEU CD1 . 10046 1 129 . 1 1 17 17 LEU CD2 C 13 26.218 0.300 . 2 . . . . 17 LEU CD2 . 10046 1 130 . 1 1 17 17 LEU N N 15 128.762 0.300 . 1 . . . . 17 LEU N . 10046 1 131 . 1 1 18 18 VAL H H 1 8.374 0.030 . 1 . . . . 18 VAL H . 10046 1 132 . 1 1 18 18 VAL HA H 1 4.541 0.030 . 1 . . . . 18 VAL HA . 10046 1 133 . 1 1 18 18 VAL HB H 1 1.766 0.030 . 1 . . . . 18 VAL HB . 10046 1 134 . 1 1 18 18 VAL HG11 H 1 0.644 0.030 . 1 . . . . 18 VAL HG1 . 10046 1 135 . 1 1 18 18 VAL HG12 H 1 0.644 0.030 . 1 . . . . 18 VAL HG1 . 10046 1 136 . 1 1 18 18 VAL HG13 H 1 0.644 0.030 . 1 . . . . 18 VAL HG1 . 10046 1 137 . 1 1 18 18 VAL HG21 H 1 0.806 0.030 . 1 . . . . 18 VAL HG2 . 10046 1 138 . 1 1 18 18 VAL HG22 H 1 0.806 0.030 . 1 . . . . 18 VAL HG2 . 10046 1 139 . 1 1 18 18 VAL HG23 H 1 0.806 0.030 . 1 . . . . 18 VAL HG2 . 10046 1 140 . 1 1 18 18 VAL C C 13 174.439 0.300 . 1 . . . . 18 VAL C . 10046 1 141 . 1 1 18 18 VAL CA C 13 61.262 0.300 . 1 . . . . 18 VAL CA . 10046 1 142 . 1 1 18 18 VAL CB C 13 32.787 0.300 . 1 . . . . 18 VAL CB . 10046 1 143 . 1 1 18 18 VAL CG1 C 13 20.935 0.300 . 2 . . . . 18 VAL CG1 . 10046 1 144 . 1 1 18 18 VAL CG2 C 13 21.069 0.300 . 2 . . . . 18 VAL CG2 . 10046 1 145 . 1 1 18 18 VAL N N 15 126.007 0.300 . 1 . . . . 18 VAL N . 10046 1 146 . 1 1 19 19 ILE H H 1 8.811 0.030 . 1 . . . . 19 ILE H . 10046 1 147 . 1 1 19 19 ILE HA H 1 4.639 0.030 . 1 . . . . 19 ILE HA . 10046 1 148 . 1 1 19 19 ILE HB H 1 1.685 0.030 . 1 . . . . 19 ILE HB . 10046 1 149 . 1 1 19 19 ILE HG12 H 1 1.363 0.030 . 2 . . . . 19 ILE HG12 . 10046 1 150 . 1 1 19 19 ILE HG13 H 1 0.788 0.030 . 2 . . . . 19 ILE HG13 . 10046 1 151 . 1 1 19 19 ILE HG21 H 1 0.654 0.030 . 1 . . . . 19 ILE HG2 . 10046 1 152 . 1 1 19 19 ILE HG22 H 1 0.654 0.030 . 1 . . . . 19 ILE HG2 . 10046 1 153 . 1 1 19 19 ILE HG23 H 1 0.654 0.030 . 1 . . . . 19 ILE HG2 . 10046 1 154 . 1 1 19 19 ILE HD11 H 1 0.460 0.030 . 1 . . . . 19 ILE HD1 . 10046 1 155 . 1 1 19 19 ILE HD12 H 1 0.460 0.030 . 1 . . . . 19 ILE HD1 . 10046 1 156 . 1 1 19 19 ILE HD13 H 1 0.460 0.030 . 1 . . . . 19 ILE HD1 . 10046 1 157 . 1 1 19 19 ILE C C 13 173.858 0.300 . 1 . . . . 19 ILE C . 10046 1 158 . 1 1 19 19 ILE CA C 13 58.906 0.300 . 1 . . . . 19 ILE CA . 10046 1 159 . 1 1 19 19 ILE CB C 13 39.984 0.300 . 1 . . . . 19 ILE CB . 10046 1 160 . 1 1 19 19 ILE CG1 C 13 27.658 0.300 . 1 . . . . 19 ILE CG1 . 10046 1 161 . 1 1 19 19 ILE CG2 C 13 17.352 0.300 . 1 . . . . 19 ILE CG2 . 10046 1 162 . 1 1 19 19 ILE CD1 C 13 12.869 0.300 . 1 . . . . 19 ILE CD1 . 10046 1 163 . 1 1 19 19 ILE N N 15 125.332 0.300 . 1 . . . . 19 ILE N . 10046 1 164 . 1 1 20 20 ARG H H 1 8.991 0.030 . 1 . . . . 20 ARG H . 10046 1 165 . 1 1 20 20 ARG HA H 1 5.129 0.030 . 1 . . . . 20 ARG HA . 10046 1 166 . 1 1 20 20 ARG HB2 H 1 1.489 0.030 . 2 . . . . 20 ARG HB2 . 10046 1 167 . 1 1 20 20 ARG HB3 H 1 1.243 0.030 . 2 . . . . 20 ARG HB3 . 10046 1 168 . 1 1 20 20 ARG HG2 H 1 1.323 0.030 . 2 . . . . 20 ARG HG2 . 10046 1 169 . 1 1 20 20 ARG HG3 H 1 1.225 0.030 . 2 . . . . 20 ARG HG3 . 10046 1 170 . 1 1 20 20 ARG HD2 H 1 3.012 0.030 . 2 . . . . 20 ARG HD2 . 10046 1 171 . 1 1 20 20 ARG HD3 H 1 2.852 0.030 . 2 . . . . 20 ARG HD3 . 10046 1 172 . 1 1 20 20 ARG HE H 1 9.725 0.030 . 1 . . . . 20 ARG HE . 10046 1 173 . 1 1 20 20 ARG C C 13 174.259 0.300 . 1 . . . . 20 ARG C . 10046 1 174 . 1 1 20 20 ARG CA C 13 54.087 0.300 . 1 . . . . 20 ARG CA . 10046 1 175 . 1 1 20 20 ARG CB C 13 33.006 0.300 . 1 . . . . 20 ARG CB . 10046 1 176 . 1 1 20 20 ARG CG C 13 26.354 0.300 . 1 . . . . 20 ARG CG . 10046 1 177 . 1 1 20 20 ARG CD C 13 43.154 0.300 . 1 . . . . 20 ARG CD . 10046 1 178 . 1 1 20 20 ARG N N 15 128.962 0.300 . 1 . . . . 20 ARG N . 10046 1 179 . 1 1 20 20 ARG NE N 15 85.987 0.300 . 1 . . . . 20 ARG NE . 10046 1 180 . 1 1 21 21 ILE H H 1 9.458 0.030 . 1 . . . . 21 ILE H . 10046 1 181 . 1 1 21 21 ILE HA H 1 4.030 0.030 . 1 . . . . 21 ILE HA . 10046 1 182 . 1 1 21 21 ILE HB H 1 1.842 0.030 . 1 . . . . 21 ILE HB . 10046 1 183 . 1 1 21 21 ILE HG12 H 1 1.549 0.030 . 1 . . . . 21 ILE HG12 . 10046 1 184 . 1 1 21 21 ILE HG13 H 1 1.549 0.030 . 1 . . . . 21 ILE HG13 . 10046 1 185 . 1 1 21 21 ILE HG21 H 1 0.588 0.030 . 1 . . . . 21 ILE HG2 . 10046 1 186 . 1 1 21 21 ILE HG22 H 1 0.588 0.030 . 1 . . . . 21 ILE HG2 . 10046 1 187 . 1 1 21 21 ILE HG23 H 1 0.588 0.030 . 1 . . . . 21 ILE HG2 . 10046 1 188 . 1 1 21 21 ILE HD11 H 1 0.592 0.030 . 1 . . . . 21 ILE HD1 . 10046 1 189 . 1 1 21 21 ILE HD12 H 1 0.592 0.030 . 1 . . . . 21 ILE HD1 . 10046 1 190 . 1 1 21 21 ILE HD13 H 1 0.592 0.030 . 1 . . . . 21 ILE HD1 . 10046 1 191 . 1 1 21 21 ILE C C 13 175.284 0.300 . 1 . . . . 21 ILE C . 10046 1 192 . 1 1 21 21 ILE CA C 13 60.926 0.300 . 1 . . . . 21 ILE CA . 10046 1 193 . 1 1 21 21 ILE CB C 13 38.761 0.300 . 1 . . . . 21 ILE CB . 10046 1 194 . 1 1 21 21 ILE CG1 C 13 28.223 0.300 . 1 . . . . 21 ILE CG1 . 10046 1 195 . 1 1 21 21 ILE CG2 C 13 18.414 0.300 . 1 . . . . 21 ILE CG2 . 10046 1 196 . 1 1 21 21 ILE CD1 C 13 14.585 0.300 . 1 . . . . 21 ILE CD1 . 10046 1 197 . 1 1 21 21 ILE N N 15 128.150 0.300 . 1 . . . . 21 ILE N . 10046 1 198 . 1 1 22 22 LYS H H 1 8.249 0.030 . 1 . . . . 22 LYS H . 10046 1 199 . 1 1 22 22 LYS HA H 1 4.312 0.030 . 1 . . . . 22 LYS HA . 10046 1 200 . 1 1 22 22 LYS HB2 H 1 1.720 0.030 . 2 . . . . 22 LYS HB2 . 10046 1 201 . 1 1 22 22 LYS HB3 H 1 1.420 0.030 . 2 . . . . 22 LYS HB3 . 10046 1 202 . 1 1 22 22 LYS HG2 H 1 1.304 0.030 . 2 . . . . 22 LYS HG2 . 10046 1 203 . 1 1 22 22 LYS HG3 H 1 1.050 0.030 . 2 . . . . 22 LYS HG3 . 10046 1 204 . 1 1 22 22 LYS HD2 H 1 1.622 0.030 . 2 . . . . 22 LYS HD2 . 10046 1 205 . 1 1 22 22 LYS HD3 H 1 1.570 0.030 . 2 . . . . 22 LYS HD3 . 10046 1 206 . 1 1 22 22 LYS HE2 H 1 3.001 0.030 . 1 . . . . 22 LYS HE2 . 10046 1 207 . 1 1 22 22 LYS HE3 H 1 3.001 0.030 . 1 . . . . 22 LYS HE3 . 10046 1 208 . 1 1 22 22 LYS C C 13 175.032 0.300 . 1 . . . . 22 LYS C . 10046 1 209 . 1 1 22 22 LYS CA C 13 55.231 0.300 . 1 . . . . 22 LYS CA . 10046 1 210 . 1 1 22 22 LYS CB C 13 31.716 0.300 . 1 . . . . 22 LYS CB . 10046 1 211 . 1 1 22 22 LYS CG C 13 24.175 0.300 . 1 . . . . 22 LYS CG . 10046 1 212 . 1 1 22 22 LYS CD C 13 28.239 0.300 . 1 . . . . 22 LYS CD . 10046 1 213 . 1 1 22 22 LYS CE C 13 42.228 0.300 . 1 . . . . 22 LYS CE . 10046 1 214 . 1 1 22 22 LYS N N 15 128.647 0.300 . 1 . . . . 22 LYS N . 10046 1 215 . 1 1 23 23 ILE H H 1 8.040 0.030 . 1 . . . . 23 ILE H . 10046 1 216 . 1 1 23 23 ILE HA H 1 4.425 0.030 . 1 . . . . 23 ILE HA . 10046 1 217 . 1 1 23 23 ILE HB H 1 1.897 0.030 . 1 . . . . 23 ILE HB . 10046 1 218 . 1 1 23 23 ILE HG12 H 1 1.509 0.030 . 2 . . . . 23 ILE HG12 . 10046 1 219 . 1 1 23 23 ILE HG13 H 1 1.088 0.030 . 2 . . . . 23 ILE HG13 . 10046 1 220 . 1 1 23 23 ILE HG21 H 1 0.936 0.030 . 1 . . . . 23 ILE HG2 . 10046 1 221 . 1 1 23 23 ILE HG22 H 1 0.936 0.030 . 1 . . . . 23 ILE HG2 . 10046 1 222 . 1 1 23 23 ILE HG23 H 1 0.936 0.030 . 1 . . . . 23 ILE HG2 . 10046 1 223 . 1 1 23 23 ILE HD11 H 1 0.769 0.030 . 1 . . . . 23 ILE HD1 . 10046 1 224 . 1 1 23 23 ILE HD12 H 1 0.769 0.030 . 1 . . . . 23 ILE HD1 . 10046 1 225 . 1 1 23 23 ILE HD13 H 1 0.769 0.030 . 1 . . . . 23 ILE HD1 . 10046 1 226 . 1 1 23 23 ILE C C 13 175.032 0.300 . 1 . . . . 23 ILE C . 10046 1 227 . 1 1 23 23 ILE CA C 13 58.117 0.300 . 1 . . . . 23 ILE CA . 10046 1 228 . 1 1 23 23 ILE CB C 13 38.505 0.300 . 1 . . . . 23 ILE CB . 10046 1 229 . 1 1 23 23 ILE CG1 C 13 27.072 0.300 . 1 . . . . 23 ILE CG1 . 10046 1 230 . 1 1 23 23 ILE CG2 C 13 17.864 0.300 . 1 . . . . 23 ILE CG2 . 10046 1 231 . 1 1 23 23 ILE CD1 C 13 12.747 0.300 . 1 . . . . 23 ILE CD1 . 10046 1 232 . 1 1 23 23 ILE N N 15 126.946 0.300 . 1 . . . . 23 ILE N . 10046 1 233 . 1 1 24 24 PRO HA H 1 4.303 0.030 . 1 . . . . 24 PRO HA . 10046 1 234 . 1 1 24 24 PRO HB2 H 1 2.325 0.030 . 2 . . . . 24 PRO HB2 . 10046 1 235 . 1 1 24 24 PRO HB3 H 1 1.877 0.030 . 2 . . . . 24 PRO HB3 . 10046 1 236 . 1 1 24 24 PRO HG2 H 1 2.138 0.030 . 2 . . . . 24 PRO HG2 . 10046 1 237 . 1 1 24 24 PRO HG3 H 1 2.062 0.030 . 2 . . . . 24 PRO HG3 . 10046 1 238 . 1 1 24 24 PRO HD2 H 1 3.963 0.030 . 2 . . . . 24 PRO HD2 . 10046 1 239 . 1 1 24 24 PRO HD3 H 1 3.660 0.030 . 2 . . . . 24 PRO HD3 . 10046 1 240 . 1 1 24 24 PRO C C 13 177.357 0.300 . 1 . . . . 24 PRO C . 10046 1 241 . 1 1 24 24 PRO CA C 13 64.342 0.300 . 1 . . . . 24 PRO CA . 10046 1 242 . 1 1 24 24 PRO CB C 13 31.884 0.300 . 1 . . . . 24 PRO CB . 10046 1 243 . 1 1 24 24 PRO CG C 13 27.744 0.300 . 1 . . . . 24 PRO CG . 10046 1 244 . 1 1 24 24 PRO CD C 13 51.196 0.300 . 1 . . . . 24 PRO CD . 10046 1 245 . 1 1 25 25 ASN H H 1 8.911 0.030 . 1 . . . . 25 ASN H . 10046 1 246 . 1 1 25 25 ASN HA H 1 4.416 0.030 . 1 . . . . 25 ASN HA . 10046 1 247 . 1 1 25 25 ASN HB2 H 1 2.989 0.030 . 2 . . . . 25 ASN HB2 . 10046 1 248 . 1 1 25 25 ASN HB3 H 1 2.958 0.030 . 2 . . . . 25 ASN HB3 . 10046 1 249 . 1 1 25 25 ASN HD21 H 1 7.631 0.030 . 2 . . . . 25 ASN HD21 . 10046 1 250 . 1 1 25 25 ASN HD22 H 1 6.951 0.030 . 2 . . . . 25 ASN HD22 . 10046 1 251 . 1 1 25 25 ASN C C 13 174.652 0.300 . 1 . . . . 25 ASN C . 10046 1 252 . 1 1 25 25 ASN CA C 13 54.804 0.300 . 1 . . . . 25 ASN CA . 10046 1 253 . 1 1 25 25 ASN CB C 13 38.033 0.300 . 1 . . . . 25 ASN CB . 10046 1 254 . 1 1 25 25 ASN N N 15 116.212 0.300 . 1 . . . . 25 ASN N . 10046 1 255 . 1 1 25 25 ASN ND2 N 15 113.988 0.300 . 1 . . . . 25 ASN ND2 . 10046 1 256 . 1 1 26 26 SER H H 1 7.888 0.030 . 1 . . . . 26 SER H . 10046 1 257 . 1 1 26 26 SER HA H 1 4.620 0.030 . 1 . . . . 26 SER HA . 10046 1 258 . 1 1 26 26 SER HB2 H 1 3.661 0.030 . 1 . . . . 26 SER HB2 . 10046 1 259 . 1 1 26 26 SER HB3 H 1 3.661 0.030 . 1 . . . . 26 SER HB3 . 10046 1 260 . 1 1 26 26 SER C C 13 174.409 0.300 . 1 . . . . 26 SER C . 10046 1 261 . 1 1 26 26 SER CA C 13 57.310 0.300 . 1 . . . . 26 SER CA . 10046 1 262 . 1 1 26 26 SER CB C 13 63.763 0.300 . 1 . . . . 26 SER CB . 10046 1 263 . 1 1 26 26 SER N N 15 113.255 0.300 . 1 . . . . 26 SER N . 10046 1 264 . 1 1 27 27 GLY H H 1 8.213 0.030 . 1 . . . . 27 GLY H . 10046 1 265 . 1 1 27 27 GLY HA2 H 1 4.154 0.030 . 2 . . . . 27 GLY HA2 . 10046 1 266 . 1 1 27 27 GLY HA3 H 1 3.854 0.030 . 2 . . . . 27 GLY HA3 . 10046 1 267 . 1 1 27 27 GLY C C 13 172.556 0.300 . 1 . . . . 27 GLY C . 10046 1 268 . 1 1 27 27 GLY CA C 13 45.066 0.300 . 1 . . . . 27 GLY CA . 10046 1 269 . 1 1 27 27 GLY N N 15 109.627 0.300 . 1 . . . . 27 GLY N . 10046 1 270 . 1 1 28 28 ALA H H 1 8.257 0.030 . 1 . . . . 28 ALA H . 10046 1 271 . 1 1 28 28 ALA HA H 1 5.033 0.030 . 1 . . . . 28 ALA HA . 10046 1 272 . 1 1 28 28 ALA HB1 H 1 1.195 0.030 . 1 . . . . 28 ALA HB . 10046 1 273 . 1 1 28 28 ALA HB2 H 1 1.195 0.030 . 1 . . . . 28 ALA HB . 10046 1 274 . 1 1 28 28 ALA HB3 H 1 1.195 0.030 . 1 . . . . 28 ALA HB . 10046 1 275 . 1 1 28 28 ALA C C 13 176.989 0.300 . 1 . . . . 28 ALA C . 10046 1 276 . 1 1 28 28 ALA CA C 13 51.501 0.300 . 1 . . . . 28 ALA CA . 10046 1 277 . 1 1 28 28 ALA CB C 13 21.247 0.300 . 1 . . . . 28 ALA CB . 10046 1 278 . 1 1 28 28 ALA N N 15 123.332 0.300 . 1 . . . . 28 ALA N . 10046 1 279 . 1 1 29 29 VAL H H 1 8.455 0.030 . 1 . . . . 29 VAL H . 10046 1 280 . 1 1 29 29 VAL HA H 1 4.286 0.030 . 1 . . . . 29 VAL HA . 10046 1 281 . 1 1 29 29 VAL HB H 1 1.878 0.030 . 1 . . . . 29 VAL HB . 10046 1 282 . 1 1 29 29 VAL HG11 H 1 0.952 0.030 . 1 . . . . 29 VAL HG1 . 10046 1 283 . 1 1 29 29 VAL HG12 H 1 0.952 0.030 . 1 . . . . 29 VAL HG1 . 10046 1 284 . 1 1 29 29 VAL HG13 H 1 0.952 0.030 . 1 . . . . 29 VAL HG1 . 10046 1 285 . 1 1 29 29 VAL HG21 H 1 0.952 0.030 . 1 . . . . 29 VAL HG2 . 10046 1 286 . 1 1 29 29 VAL HG22 H 1 0.952 0.030 . 1 . . . . 29 VAL HG2 . 10046 1 287 . 1 1 29 29 VAL HG23 H 1 0.952 0.030 . 1 . . . . 29 VAL HG2 . 10046 1 288 . 1 1 29 29 VAL C C 13 173.585 0.300 . 1 . . . . 29 VAL C . 10046 1 289 . 1 1 29 29 VAL CA C 13 61.382 0.300 . 1 . . . . 29 VAL CA . 10046 1 290 . 1 1 29 29 VAL CB C 13 35.406 0.300 . 1 . . . . 29 VAL CB . 10046 1 291 . 1 1 29 29 VAL CG1 C 13 20.988 0.300 . 1 . . . . 29 VAL CG1 . 10046 1 292 . 1 1 29 29 VAL CG2 C 13 20.988 0.300 . 1 . . . . 29 VAL CG2 . 10046 1 293 . 1 1 29 29 VAL N N 15 121.363 0.300 . 1 . . . . 29 VAL N . 10046 1 294 . 1 1 30 30 ASP H H 1 8.446 0.030 . 1 . . . . 30 ASP H . 10046 1 295 . 1 1 30 30 ASP HA H 1 5.456 0.030 . 1 . . . . 30 ASP HA . 10046 1 296 . 1 1 30 30 ASP HB2 H 1 2.481 0.030 . 2 . . . . 30 ASP HB2 . 10046 1 297 . 1 1 30 30 ASP HB3 H 1 2.234 0.030 . 2 . . . . 30 ASP HB3 . 10046 1 298 . 1 1 30 30 ASP C C 13 175.600 0.300 . 1 . . . . 30 ASP C . 10046 1 299 . 1 1 30 30 ASP CA C 13 53.494 0.300 . 1 . . . . 30 ASP CA . 10046 1 300 . 1 1 30 30 ASP CB C 13 40.953 0.300 . 1 . . . . 30 ASP CB . 10046 1 301 . 1 1 30 30 ASP N N 15 127.177 0.300 . 1 . . . . 30 ASP N . 10046 1 302 . 1 1 31 31 TRP H H 1 9.777 0.030 . 1 . . . . 31 TRP H . 10046 1 303 . 1 1 31 31 TRP HA H 1 4.843 0.030 . 1 . . . . 31 TRP HA . 10046 1 304 . 1 1 31 31 TRP HB2 H 1 3.234 0.030 . 2 . . . . 31 TRP HB2 . 10046 1 305 . 1 1 31 31 TRP HB3 H 1 2.670 0.030 . 2 . . . . 31 TRP HB3 . 10046 1 306 . 1 1 31 31 TRP HD1 H 1 6.961 0.030 . 1 . . . . 31 TRP HD1 . 10046 1 307 . 1 1 31 31 TRP HE1 H 1 10.026 0.030 . 1 . . . . 31 TRP HE1 . 10046 1 308 . 1 1 31 31 TRP HE3 H 1 7.199 0.030 . 1 . . . . 31 TRP HE3 . 10046 1 309 . 1 1 31 31 TRP HZ2 H 1 7.369 0.030 . 1 . . . . 31 TRP HZ2 . 10046 1 310 . 1 1 31 31 TRP HZ3 H 1 6.814 0.030 . 1 . . . . 31 TRP HZ3 . 10046 1 311 . 1 1 31 31 TRP HH2 H 1 6.898 0.030 . 1 . . . . 31 TRP HH2 . 10046 1 312 . 1 1 31 31 TRP C C 13 174.134 0.300 . 1 . . . . 31 TRP C . 10046 1 313 . 1 1 31 31 TRP CA C 13 55.573 0.300 . 1 . . . . 31 TRP CA . 10046 1 314 . 1 1 31 31 TRP CB C 13 31.262 0.300 . 1 . . . . 31 TRP CB . 10046 1 315 . 1 1 31 31 TRP CD1 C 13 125.684 0.300 . 1 . . . . 31 TRP CD1 . 10046 1 316 . 1 1 31 31 TRP CE3 C 13 119.947 0.300 . 1 . . . . 31 TRP CE3 . 10046 1 317 . 1 1 31 31 TRP CZ2 C 13 114.567 0.300 . 1 . . . . 31 TRP CZ2 . 10046 1 318 . 1 1 31 31 TRP CZ3 C 13 121.087 0.300 . 1 . . . . 31 TRP CZ3 . 10046 1 319 . 1 1 31 31 TRP CH2 C 13 124.088 0.300 . 1 . . . . 31 TRP CH2 . 10046 1 320 . 1 1 31 31 TRP N N 15 128.822 0.300 . 1 . . . . 31 TRP N . 10046 1 321 . 1 1 31 31 TRP NE1 N 15 128.496 0.300 . 1 . . . . 31 TRP NE1 . 10046 1 322 . 1 1 32 32 THR H H 1 8.257 0.030 . 1 . . . . 32 THR H . 10046 1 323 . 1 1 32 32 THR HA H 1 4.427 0.030 . 1 . . . . 32 THR HA . 10046 1 324 . 1 1 32 32 THR HB H 1 3.814 0.030 . 1 . . . . 32 THR HB . 10046 1 325 . 1 1 32 32 THR HG21 H 1 0.829 0.030 . 1 . . . . 32 THR HG2 . 10046 1 326 . 1 1 32 32 THR HG22 H 1 0.829 0.030 . 1 . . . . 32 THR HG2 . 10046 1 327 . 1 1 32 32 THR HG23 H 1 0.829 0.030 . 1 . . . . 32 THR HG2 . 10046 1 328 . 1 1 32 32 THR C C 13 173.124 0.300 . 1 . . . . 32 THR C . 10046 1 329 . 1 1 32 32 THR CA C 13 63.080 0.300 . 1 . . . . 32 THR CA . 10046 1 330 . 1 1 32 32 THR CB C 13 68.888 0.300 . 1 . . . . 32 THR CB . 10046 1 331 . 1 1 32 32 THR CG2 C 13 21.563 0.300 . 1 . . . . 32 THR CG2 . 10046 1 332 . 1 1 32 32 THR N N 15 123.993 0.300 . 1 . . . . 32 THR N . 10046 1 333 . 1 1 33 33 VAL H H 1 8.950 0.030 . 1 . . . . 33 VAL H . 10046 1 334 . 1 1 33 33 VAL HA H 1 3.871 0.030 . 1 . . . . 33 VAL HA . 10046 1 335 . 1 1 33 33 VAL HB H 1 1.835 0.030 . 1 . . . . 33 VAL HB . 10046 1 336 . 1 1 33 33 VAL HG11 H 1 0.656 0.030 . 1 . . . . 33 VAL HG1 . 10046 1 337 . 1 1 33 33 VAL HG12 H 1 0.656 0.030 . 1 . . . . 33 VAL HG1 . 10046 1 338 . 1 1 33 33 VAL HG13 H 1 0.656 0.030 . 1 . . . . 33 VAL HG1 . 10046 1 339 . 1 1 33 33 VAL HG21 H 1 0.285 0.030 . 1 . . . . 33 VAL HG2 . 10046 1 340 . 1 1 33 33 VAL HG22 H 1 0.285 0.030 . 1 . . . . 33 VAL HG2 . 10046 1 341 . 1 1 33 33 VAL HG23 H 1 0.285 0.030 . 1 . . . . 33 VAL HG2 . 10046 1 342 . 1 1 33 33 VAL C C 13 175.250 0.300 . 1 . . . . 33 VAL C . 10046 1 343 . 1 1 33 33 VAL CA C 13 61.005 0.300 . 1 . . . . 33 VAL CA . 10046 1 344 . 1 1 33 33 VAL CB C 13 33.014 0.300 . 1 . . . . 33 VAL CB . 10046 1 345 . 1 1 33 33 VAL CG1 C 13 21.617 0.300 . 2 . . . . 33 VAL CG1 . 10046 1 346 . 1 1 33 33 VAL CG2 C 13 20.361 0.300 . 2 . . . . 33 VAL CG2 . 10046 1 347 . 1 1 33 33 VAL N N 15 127.529 0.300 . 1 . . . . 33 VAL N . 10046 1 348 . 1 1 34 34 HIS H H 1 8.416 0.030 . 1 . . . . 34 HIS H . 10046 1 349 . 1 1 34 34 HIS HA H 1 4.562 0.030 . 1 . . . . 34 HIS HA . 10046 1 350 . 1 1 34 34 HIS HB2 H 1 3.147 0.030 . 2 . . . . 34 HIS HB2 . 10046 1 351 . 1 1 34 34 HIS HB3 H 1 2.998 0.030 . 2 . . . . 34 HIS HB3 . 10046 1 352 . 1 1 34 34 HIS HD2 H 1 6.997 0.030 . 1 . . . . 34 HIS HD2 . 10046 1 353 . 1 1 34 34 HIS HE1 H 1 7.848 0.030 . 1 . . . . 34 HIS HE1 . 10046 1 354 . 1 1 34 34 HIS C C 13 175.297 0.300 . 1 . . . . 34 HIS C . 10046 1 355 . 1 1 34 34 HIS CA C 13 57.369 0.300 . 1 . . . . 34 HIS CA . 10046 1 356 . 1 1 34 34 HIS CB C 13 30.561 0.300 . 1 . . . . 34 HIS CB . 10046 1 357 . 1 1 34 34 HIS CD2 C 13 119.698 0.300 . 1 . . . . 34 HIS CD2 . 10046 1 358 . 1 1 34 34 HIS CE1 C 13 138.135 0.300 . 1 . . . . 34 HIS CE1 . 10046 1 359 . 1 1 34 34 HIS N N 15 124.903 0.300 . 1 . . . . 34 HIS N . 10046 1 360 . 1 1 35 35 SER H H 1 7.962 0.030 . 1 . . . . 35 SER H . 10046 1 361 . 1 1 35 35 SER HA H 1 4.468 0.030 . 1 . . . . 35 SER HA . 10046 1 362 . 1 1 35 35 SER HB2 H 1 3.814 0.030 . 2 . . . . 35 SER HB2 . 10046 1 363 . 1 1 35 35 SER HB3 H 1 3.722 0.030 . 2 . . . . 35 SER HB3 . 10046 1 364 . 1 1 35 35 SER C C 13 174.900 0.300 . 1 . . . . 35 SER C . 10046 1 365 . 1 1 35 35 SER CA C 13 57.424 0.300 . 1 . . . . 35 SER CA . 10046 1 366 . 1 1 35 35 SER CB C 13 63.525 0.300 . 1 . . . . 35 SER CB . 10046 1 367 . 1 1 35 35 SER N N 15 114.534 0.300 . 1 . . . . 35 SER N . 10046 1 368 . 1 1 36 36 GLY H H 1 8.509 0.030 . 1 . . . . 36 GLY H . 10046 1 369 . 1 1 36 36 GLY HA2 H 1 4.243 0.030 . 2 . . . . 36 GLY HA2 . 10046 1 370 . 1 1 36 36 GLY HA3 H 1 3.763 0.030 . 2 . . . . 36 GLY HA3 . 10046 1 371 . 1 1 36 36 GLY C C 13 174.900 0.300 . 1 . . . . 36 GLY C . 10046 1 372 . 1 1 36 36 GLY CA C 13 46.719 0.300 . 1 . . . . 36 GLY CA . 10046 1 373 . 1 1 36 36 GLY N N 15 111.935 0.300 . 1 . . . . 36 GLY N . 10046 1 374 . 1 1 37 37 PRO HA H 1 4.340 0.030 . 1 . . . . 37 PRO HA . 10046 1 375 . 1 1 37 37 PRO HB2 H 1 2.272 0.030 . 2 . . . . 37 PRO HB2 . 10046 1 376 . 1 1 37 37 PRO HB3 H 1 1.856 0.030 . 2 . . . . 37 PRO HB3 . 10046 1 377 . 1 1 37 37 PRO HG2 H 1 1.944 0.030 . 2 . . . . 37 PRO HG2 . 10046 1 378 . 1 1 37 37 PRO HG3 H 1 1.821 0.030 . 2 . . . . 37 PRO HG3 . 10046 1 379 . 1 1 37 37 PRO HD2 H 1 3.692 0.030 . 2 . . . . 37 PRO HD2 . 10046 1 380 . 1 1 37 37 PRO HD3 H 1 3.634 0.030 . 2 . . . . 37 PRO HD3 . 10046 1 381 . 1 1 37 37 PRO C C 13 176.744 0.300 . 1 . . . . 37 PRO C . 10046 1 382 . 1 1 37 37 PRO CA C 13 64.286 0.300 . 1 . . . . 37 PRO CA . 10046 1 383 . 1 1 37 37 PRO CB C 13 32.101 0.300 . 1 . . . . 37 PRO CB . 10046 1 384 . 1 1 37 37 PRO CG C 13 27.604 0.300 . 1 . . . . 37 PRO CG . 10046 1 385 . 1 1 37 37 PRO CD C 13 50.661 0.300 . 1 . . . . 37 PRO CD . 10046 1 386 . 1 1 38 38 GLN H H 1 7.727 0.030 . 1 . . . . 38 GLN H . 10046 1 387 . 1 1 38 38 GLN HA H 1 4.336 0.030 . 1 . . . . 38 GLN HA . 10046 1 388 . 1 1 38 38 GLN HB2 H 1 2.170 0.030 . 2 . . . . 38 GLN HB2 . 10046 1 389 . 1 1 38 38 GLN HB3 H 1 1.947 0.030 . 2 . . . . 38 GLN HB3 . 10046 1 390 . 1 1 38 38 GLN HG2 H 1 2.312 0.030 . 1 . . . . 38 GLN HG2 . 10046 1 391 . 1 1 38 38 GLN HG3 H 1 2.312 0.030 . 1 . . . . 38 GLN HG3 . 10046 1 392 . 1 1 38 38 GLN HE21 H 1 7.595 0.030 . 2 . . . . 38 GLN HE21 . 10046 1 393 . 1 1 38 38 GLN HE22 H 1 6.851 0.030 . 2 . . . . 38 GLN HE22 . 10046 1 394 . 1 1 38 38 GLN C C 13 175.006 0.300 . 1 . . . . 38 GLN C . 10046 1 395 . 1 1 38 38 GLN CA C 13 55.431 0.300 . 1 . . . . 38 GLN CA . 10046 1 396 . 1 1 38 38 GLN CB C 13 29.194 0.300 . 1 . . . . 38 GLN CB . 10046 1 397 . 1 1 38 38 GLN CG C 13 34.334 0.300 . 1 . . . . 38 GLN CG . 10046 1 398 . 1 1 38 38 GLN N N 15 115.642 0.300 . 1 . . . . 38 GLN N . 10046 1 399 . 1 1 38 38 GLN NE2 N 15 112.225 0.300 . 1 . . . . 38 GLN NE2 . 10046 1 400 . 1 1 39 39 LEU H H 1 7.667 0.030 . 1 . . . . 39 LEU H . 10046 1 401 . 1 1 39 39 LEU HA H 1 4.240 0.030 . 1 . . . . 39 LEU HA . 10046 1 402 . 1 1 39 39 LEU HB2 H 1 1.698 0.030 . 2 . . . . 39 LEU HB2 . 10046 1 403 . 1 1 39 39 LEU HB3 H 1 1.482 0.030 . 2 . . . . 39 LEU HB3 . 10046 1 404 . 1 1 39 39 LEU HG H 1 1.527 0.030 . 1 . . . . 39 LEU HG . 10046 1 405 . 1 1 39 39 LEU HD11 H 1 0.962 0.030 . 1 . . . . 39 LEU HD1 . 10046 1 406 . 1 1 39 39 LEU HD12 H 1 0.962 0.030 . 1 . . . . 39 LEU HD1 . 10046 1 407 . 1 1 39 39 LEU HD13 H 1 0.962 0.030 . 1 . . . . 39 LEU HD1 . 10046 1 408 . 1 1 39 39 LEU HD21 H 1 0.704 0.030 . 1 . . . . 39 LEU HD2 . 10046 1 409 . 1 1 39 39 LEU HD22 H 1 0.704 0.030 . 1 . . . . 39 LEU HD2 . 10046 1 410 . 1 1 39 39 LEU HD23 H 1 0.704 0.030 . 1 . . . . 39 LEU HD2 . 10046 1 411 . 1 1 39 39 LEU C C 13 175.103 0.300 . 1 . . . . 39 LEU C . 10046 1 412 . 1 1 39 39 LEU CA C 13 55.829 0.300 . 1 . . . . 39 LEU CA . 10046 1 413 . 1 1 39 39 LEU CB C 13 43.086 0.300 . 1 . . . . 39 LEU CB . 10046 1 414 . 1 1 39 39 LEU CG C 13 26.840 0.300 . 1 . . . . 39 LEU CG . 10046 1 415 . 1 1 39 39 LEU CD1 C 13 24.547 0.300 . 2 . . . . 39 LEU CD1 . 10046 1 416 . 1 1 39 39 LEU CD2 C 13 25.855 0.300 . 2 . . . . 39 LEU CD2 . 10046 1 417 . 1 1 39 39 LEU N N 15 124.636 0.300 . 1 . . . . 39 LEU N . 10046 1 418 . 1 1 40 40 LEU H H 1 8.762 0.030 . 1 . . . . 40 LEU H . 10046 1 419 . 1 1 40 40 LEU HA H 1 4.831 0.030 . 1 . . . . 40 LEU HA . 10046 1 420 . 1 1 40 40 LEU HB2 H 1 1.974 0.030 . 2 . . . . 40 LEU HB2 . 10046 1 421 . 1 1 40 40 LEU HB3 H 1 1.731 0.030 . 2 . . . . 40 LEU HB3 . 10046 1 422 . 1 1 40 40 LEU HG H 1 1.820 0.030 . 1 . . . . 40 LEU HG . 10046 1 423 . 1 1 40 40 LEU HD11 H 1 1.006 0.030 . 1 . . . . 40 LEU HD1 . 10046 1 424 . 1 1 40 40 LEU HD12 H 1 1.006 0.030 . 1 . . . . 40 LEU HD1 . 10046 1 425 . 1 1 40 40 LEU HD13 H 1 1.006 0.030 . 1 . . . . 40 LEU HD1 . 10046 1 426 . 1 1 40 40 LEU HD21 H 1 0.917 0.030 . 1 . . . . 40 LEU HD2 . 10046 1 427 . 1 1 40 40 LEU HD22 H 1 0.917 0.030 . 1 . . . . 40 LEU HD2 . 10046 1 428 . 1 1 40 40 LEU HD23 H 1 0.917 0.030 . 1 . . . . 40 LEU HD2 . 10046 1 429 . 1 1 40 40 LEU C C 13 178.427 0.300 . 1 . . . . 40 LEU C . 10046 1 430 . 1 1 40 40 LEU CA C 13 53.267 0.300 . 1 . . . . 40 LEU CA . 10046 1 431 . 1 1 40 40 LEU CB C 13 43.732 0.300 . 1 . . . . 40 LEU CB . 10046 1 432 . 1 1 40 40 LEU CG C 13 26.889 0.300 . 1 . . . . 40 LEU CG . 10046 1 433 . 1 1 40 40 LEU CD1 C 13 25.815 0.300 . 2 . . . . 40 LEU CD1 . 10046 1 434 . 1 1 40 40 LEU CD2 C 13 22.533 0.300 . 2 . . . . 40 LEU CD2 . 10046 1 435 . 1 1 40 40 LEU N N 15 125.601 0.300 . 1 . . . . 40 LEU N . 10046 1 436 . 1 1 41 41 PHE H H 1 9.998 0.030 . 1 . . . . 41 PHE H . 10046 1 437 . 1 1 41 41 PHE HA H 1 4.526 0.030 . 1 . . . . 41 PHE HA . 10046 1 438 . 1 1 41 41 PHE HB2 H 1 3.021 0.030 . 1 . . . . 41 PHE HB2 . 10046 1 439 . 1 1 41 41 PHE HB3 H 1 3.021 0.030 . 1 . . . . 41 PHE HB3 . 10046 1 440 . 1 1 41 41 PHE HD1 H 1 7.086 0.030 . 1 . . . . 41 PHE HD1 . 10046 1 441 . 1 1 41 41 PHE HD2 H 1 7.086 0.030 . 1 . . . . 41 PHE HD2 . 10046 1 442 . 1 1 41 41 PHE HE1 H 1 7.065 0.030 . 1 . . . . 41 PHE HE1 . 10046 1 443 . 1 1 41 41 PHE HE2 H 1 7.065 0.030 . 1 . . . . 41 PHE HE2 . 10046 1 444 . 1 1 41 41 PHE HZ H 1 7.428 0.030 . 1 . . . . 41 PHE HZ . 10046 1 445 . 1 1 41 41 PHE C C 13 177.980 0.300 . 1 . . . . 41 PHE C . 10046 1 446 . 1 1 41 41 PHE CA C 13 61.981 0.300 . 1 . . . . 41 PHE CA . 10046 1 447 . 1 1 41 41 PHE CB C 13 39.144 0.300 . 1 . . . . 41 PHE CB . 10046 1 448 . 1 1 41 41 PHE CD1 C 13 131.080 0.300 . 1 . . . . 41 PHE CD1 . 10046 1 449 . 1 1 41 41 PHE CD2 C 13 131.080 0.300 . 1 . . . . 41 PHE CD2 . 10046 1 450 . 1 1 41 41 PHE CE1 C 13 132.151 0.300 . 1 . . . . 41 PHE CE1 . 10046 1 451 . 1 1 41 41 PHE CE2 C 13 132.151 0.300 . 1 . . . . 41 PHE CE2 . 10046 1 452 . 1 1 41 41 PHE CZ C 13 130.177 0.300 . 1 . . . . 41 PHE CZ . 10046 1 453 . 1 1 41 41 PHE N N 15 126.037 0.300 . 1 . . . . 41 PHE N . 10046 1 454 . 1 1 42 42 ARG H H 1 9.150 0.030 . 1 . . . . 42 ARG H . 10046 1 455 . 1 1 42 42 ARG HA H 1 3.621 0.030 . 1 . . . . 42 ARG HA . 10046 1 456 . 1 1 42 42 ARG HB2 H 1 1.921 0.030 . 2 . . . . 42 ARG HB2 . 10046 1 457 . 1 1 42 42 ARG HB3 H 1 1.813 0.030 . 2 . . . . 42 ARG HB3 . 10046 1 458 . 1 1 42 42 ARG HG2 H 1 1.784 0.030 . 2 . . . . 42 ARG HG2 . 10046 1 459 . 1 1 42 42 ARG HG3 H 1 1.689 0.030 . 2 . . . . 42 ARG HG3 . 10046 1 460 . 1 1 42 42 ARG HD2 H 1 3.251 0.030 . 2 . . . . 42 ARG HD2 . 10046 1 461 . 1 1 42 42 ARG HD3 H 1 3.174 0.030 . 2 . . . . 42 ARG HD3 . 10046 1 462 . 1 1 42 42 ARG C C 13 177.616 0.300 . 1 . . . . 42 ARG C . 10046 1 463 . 1 1 42 42 ARG CA C 13 58.333 0.300 . 1 . . . . 42 ARG CA . 10046 1 464 . 1 1 42 42 ARG CB C 13 29.711 0.300 . 1 . . . . 42 ARG CB . 10046 1 465 . 1 1 42 42 ARG CG C 13 26.509 0.300 . 1 . . . . 42 ARG CG . 10046 1 466 . 1 1 42 42 ARG CD C 13 43.144 0.300 . 1 . . . . 42 ARG CD . 10046 1 467 . 1 1 42 42 ARG N N 15 116.320 0.300 . 1 . . . . 42 ARG N . 10046 1 468 . 1 1 43 43 ASP H H 1 7.202 0.030 . 1 . . . . 43 ASP H . 10046 1 469 . 1 1 43 43 ASP HA H 1 4.383 0.030 . 1 . . . . 43 ASP HA . 10046 1 470 . 1 1 43 43 ASP HB2 H 1 3.253 0.030 . 2 . . . . 43 ASP HB2 . 10046 1 471 . 1 1 43 43 ASP HB3 H 1 2.746 0.030 . 2 . . . . 43 ASP HB3 . 10046 1 472 . 1 1 43 43 ASP C C 13 179.014 0.300 . 1 . . . . 43 ASP C . 10046 1 473 . 1 1 43 43 ASP CA C 13 57.393 0.300 . 1 . . . . 43 ASP CA . 10046 1 474 . 1 1 43 43 ASP CB C 13 40.953 0.300 . 1 . . . . 43 ASP CB . 10046 1 475 . 1 1 43 43 ASP N N 15 117.792 0.300 . 1 . . . . 43 ASP N . 10046 1 476 . 1 1 44 44 VAL H H 1 7.361 0.030 . 1 . . . . 44 VAL H . 10046 1 477 . 1 1 44 44 VAL HA H 1 3.422 0.030 . 1 . . . . 44 VAL HA . 10046 1 478 . 1 1 44 44 VAL HB H 1 2.039 0.030 . 1 . . . . 44 VAL HB . 10046 1 479 . 1 1 44 44 VAL HG11 H 1 0.136 0.030 . 1 . . . . 44 VAL HG1 . 10046 1 480 . 1 1 44 44 VAL HG12 H 1 0.136 0.030 . 1 . . . . 44 VAL HG1 . 10046 1 481 . 1 1 44 44 VAL HG13 H 1 0.136 0.030 . 1 . . . . 44 VAL HG1 . 10046 1 482 . 1 1 44 44 VAL HG21 H 1 0.929 0.030 . 1 . . . . 44 VAL HG2 . 10046 1 483 . 1 1 44 44 VAL HG22 H 1 0.929 0.030 . 1 . . . . 44 VAL HG2 . 10046 1 484 . 1 1 44 44 VAL HG23 H 1 0.929 0.030 . 1 . . . . 44 VAL HG2 . 10046 1 485 . 1 1 44 44 VAL C C 13 177.982 0.300 . 1 . . . . 44 VAL C . 10046 1 486 . 1 1 44 44 VAL CA C 13 65.766 0.300 . 1 . . . . 44 VAL CA . 10046 1 487 . 1 1 44 44 VAL CB C 13 31.003 0.300 . 1 . . . . 44 VAL CB . 10046 1 488 . 1 1 44 44 VAL CG1 C 13 21.998 0.300 . 2 . . . . 44 VAL CG1 . 10046 1 489 . 1 1 44 44 VAL CG2 C 13 22.899 0.300 . 2 . . . . 44 VAL CG2 . 10046 1 490 . 1 1 44 44 VAL N N 15 119.413 0.300 . 1 . . . . 44 VAL N . 10046 1 491 . 1 1 45 45 LEU H H 1 7.592 0.030 . 1 . . . . 45 LEU H . 10046 1 492 . 1 1 45 45 LEU HA H 1 3.636 0.030 . 1 . . . . 45 LEU HA . 10046 1 493 . 1 1 45 45 LEU HB2 H 1 1.553 0.030 . 2 . . . . 45 LEU HB2 . 10046 1 494 . 1 1 45 45 LEU HB3 H 1 1.255 0.030 . 2 . . . . 45 LEU HB3 . 10046 1 495 . 1 1 45 45 LEU HG H 1 0.943 0.030 . 1 . . . . 45 LEU HG . 10046 1 496 . 1 1 45 45 LEU HD11 H 1 0.462 0.030 . 1 . . . . 45 LEU HD1 . 10046 1 497 . 1 1 45 45 LEU HD12 H 1 0.462 0.030 . 1 . . . . 45 LEU HD1 . 10046 1 498 . 1 1 45 45 LEU HD13 H 1 0.462 0.030 . 1 . . . . 45 LEU HD1 . 10046 1 499 . 1 1 45 45 LEU HD21 H 1 0.540 0.030 . 1 . . . . 45 LEU HD2 . 10046 1 500 . 1 1 45 45 LEU HD22 H 1 0.540 0.030 . 1 . . . . 45 LEU HD2 . 10046 1 501 . 1 1 45 45 LEU HD23 H 1 0.540 0.030 . 1 . . . . 45 LEU HD2 . 10046 1 502 . 1 1 45 45 LEU C C 13 180.165 0.300 . 1 . . . . 45 LEU C . 10046 1 503 . 1 1 45 45 LEU CA C 13 58.136 0.300 . 1 . . . . 45 LEU CA . 10046 1 504 . 1 1 45 45 LEU CB C 13 40.501 0.300 . 1 . . . . 45 LEU CB . 10046 1 505 . 1 1 45 45 LEU CG C 13 26.096 0.300 . 1 . . . . 45 LEU CG . 10046 1 506 . 1 1 45 45 LEU CD1 C 13 22.005 0.300 . 2 . . . . 45 LEU CD1 . 10046 1 507 . 1 1 45 45 LEU CD2 C 13 25.805 0.300 . 2 . . . . 45 LEU CD2 . 10046 1 508 . 1 1 45 45 LEU N N 15 117.715 0.300 . 1 . . . . 45 LEU N . 10046 1 509 . 1 1 46 46 ASP H H 1 8.074 0.030 . 1 . . . . 46 ASP H . 10046 1 510 . 1 1 46 46 ASP HA H 1 4.282 0.030 . 1 . . . . 46 ASP HA . 10046 1 511 . 1 1 46 46 ASP HB2 H 1 2.780 0.030 . 2 . . . . 46 ASP HB2 . 10046 1 512 . 1 1 46 46 ASP HB3 H 1 2.571 0.030 . 2 . . . . 46 ASP HB3 . 10046 1 513 . 1 1 46 46 ASP C C 13 178.916 0.300 . 1 . . . . 46 ASP C . 10046 1 514 . 1 1 46 46 ASP CA C 13 57.338 0.300 . 1 . . . . 46 ASP CA . 10046 1 515 . 1 1 46 46 ASP CB C 13 40.178 0.300 . 1 . . . . 46 ASP CB . 10046 1 516 . 1 1 46 46 ASP N N 15 120.456 0.300 . 1 . . . . 46 ASP N . 10046 1 517 . 1 1 47 47 VAL H H 1 7.119 0.030 . 1 . . . . 47 VAL H . 10046 1 518 . 1 1 47 47 VAL HA H 1 3.165 0.030 . 1 . . . . 47 VAL HA . 10046 1 519 . 1 1 47 47 VAL HB H 1 1.364 0.030 . 1 . . . . 47 VAL HB . 10046 1 520 . 1 1 47 47 VAL HG11 H 1 -0.176 0.030 . 1 . . . . 47 VAL HG1 . 10046 1 521 . 1 1 47 47 VAL HG12 H 1 -0.176 0.030 . 1 . . . . 47 VAL HG1 . 10046 1 522 . 1 1 47 47 VAL HG13 H 1 -0.176 0.030 . 1 . . . . 47 VAL HG1 . 10046 1 523 . 1 1 47 47 VAL HG21 H 1 0.088 0.030 . 1 . . . . 47 VAL HG2 . 10046 1 524 . 1 1 47 47 VAL HG22 H 1 0.088 0.030 . 1 . . . . 47 VAL HG2 . 10046 1 525 . 1 1 47 47 VAL HG23 H 1 0.088 0.030 . 1 . . . . 47 VAL HG2 . 10046 1 526 . 1 1 47 47 VAL C C 13 178.359 0.300 . 1 . . . . 47 VAL C . 10046 1 527 . 1 1 47 47 VAL CA C 13 66.592 0.300 . 1 . . . . 47 VAL CA . 10046 1 528 . 1 1 47 47 VAL CB C 13 30.938 0.300 . 1 . . . . 47 VAL CB . 10046 1 529 . 1 1 47 47 VAL CG1 C 13 19.775 0.300 . 2 . . . . 47 VAL CG1 . 10046 1 530 . 1 1 47 47 VAL CG2 C 13 21.694 0.300 . 2 . . . . 47 VAL CG2 . 10046 1 531 . 1 1 47 47 VAL N N 15 121.237 0.300 . 1 . . . . 47 VAL N . 10046 1 532 . 1 1 48 48 ILE H H 1 8.083 0.030 . 1 . . . . 48 ILE H . 10046 1 533 . 1 1 48 48 ILE HA H 1 3.232 0.030 . 1 . . . . 48 ILE HA . 10046 1 534 . 1 1 48 48 ILE HB H 1 1.683 0.030 . 1 . . . . 48 ILE HB . 10046 1 535 . 1 1 48 48 ILE HG12 H 1 1.683 0.030 . 2 . . . . 48 ILE HG12 . 10046 1 536 . 1 1 48 48 ILE HG13 H 1 0.482 0.030 . 2 . . . . 48 ILE HG13 . 10046 1 537 . 1 1 48 48 ILE HG21 H 1 0.886 0.030 . 1 . . . . 48 ILE HG2 . 10046 1 538 . 1 1 48 48 ILE HG22 H 1 0.886 0.030 . 1 . . . . 48 ILE HG2 . 10046 1 539 . 1 1 48 48 ILE HG23 H 1 0.886 0.030 . 1 . . . . 48 ILE HG2 . 10046 1 540 . 1 1 48 48 ILE HD11 H 1 0.533 0.030 . 1 . . . . 48 ILE HD1 . 10046 1 541 . 1 1 48 48 ILE HD12 H 1 0.533 0.030 . 1 . . . . 48 ILE HD1 . 10046 1 542 . 1 1 48 48 ILE HD13 H 1 0.533 0.030 . 1 . . . . 48 ILE HD1 . 10046 1 543 . 1 1 48 48 ILE C C 13 177.490 0.300 . 1 . . . . 48 ILE C . 10046 1 544 . 1 1 48 48 ILE CA C 13 66.326 0.300 . 1 . . . . 48 ILE CA . 10046 1 545 . 1 1 48 48 ILE CB C 13 37.663 0.300 . 1 . . . . 48 ILE CB . 10046 1 546 . 1 1 48 48 ILE CG1 C 13 29.472 0.300 . 1 . . . . 48 ILE CG1 . 10046 1 547 . 1 1 48 48 ILE CG2 C 13 18.456 0.300 . 1 . . . . 48 ILE CG2 . 10046 1 548 . 1 1 48 48 ILE CD1 C 13 14.628 0.300 . 1 . . . . 48 ILE CD1 . 10046 1 549 . 1 1 48 48 ILE N N 15 119.636 0.300 . 1 . . . . 48 ILE N . 10046 1 550 . 1 1 49 49 GLY H H 1 8.068 0.030 . 1 . . . . 49 GLY H . 10046 1 551 . 1 1 49 49 GLY HA2 H 1 3.885 0.030 . 2 . . . . 49 GLY HA2 . 10046 1 552 . 1 1 49 49 GLY HA3 H 1 3.742 0.030 . 2 . . . . 49 GLY HA3 . 10046 1 553 . 1 1 49 49 GLY C C 13 175.097 0.300 . 1 . . . . 49 GLY C . 10046 1 554 . 1 1 49 49 GLY CA C 13 46.503 0.300 . 1 . . . . 49 GLY CA . 10046 1 555 . 1 1 49 49 GLY N N 15 104.553 0.300 . 1 . . . . 49 GLY N . 10046 1 556 . 1 1 50 50 GLN H H 1 7.305 0.030 . 1 . . . . 50 GLN H . 10046 1 557 . 1 1 50 50 GLN HA H 1 4.123 0.030 . 1 . . . . 50 GLN HA . 10046 1 558 . 1 1 50 50 GLN HB2 H 1 2.059 0.030 . 1 . . . . 50 GLN HB2 . 10046 1 559 . 1 1 50 50 GLN HB3 H 1 2.059 0.030 . 1 . . . . 50 GLN HB3 . 10046 1 560 . 1 1 50 50 GLN HG2 H 1 2.425 0.030 . 2 . . . . 50 GLN HG2 . 10046 1 561 . 1 1 50 50 GLN HG3 H 1 2.306 0.030 . 2 . . . . 50 GLN HG3 . 10046 1 562 . 1 1 50 50 GLN HE21 H 1 7.187 0.030 . 2 . . . . 50 GLN HE21 . 10046 1 563 . 1 1 50 50 GLN HE22 H 1 6.721 0.030 . 2 . . . . 50 GLN HE22 . 10046 1 564 . 1 1 50 50 GLN C C 13 177.863 0.300 . 1 . . . . 50 GLN C . 10046 1 565 . 1 1 50 50 GLN CA C 13 57.424 0.300 . 1 . . . . 50 GLN CA . 10046 1 566 . 1 1 50 50 GLN CB C 13 29.194 0.300 . 1 . . . . 50 GLN CB . 10046 1 567 . 1 1 50 50 GLN CG C 13 34.116 0.300 . 1 . . . . 50 GLN CG . 10046 1 568 . 1 1 50 50 GLN N N 15 117.428 0.300 . 1 . . . . 50 GLN N . 10046 1 569 . 1 1 50 50 GLN NE2 N 15 111.872 0.300 . 1 . . . . 50 GLN NE2 . 10046 1 570 . 1 1 51 51 VAL H H 1 7.504 0.030 . 1 . . . . 51 VAL H . 10046 1 571 . 1 1 51 51 VAL HA H 1 4.062 0.030 . 1 . . . . 51 VAL HA . 10046 1 572 . 1 1 51 51 VAL HB H 1 2.112 0.030 . 1 . . . . 51 VAL HB . 10046 1 573 . 1 1 51 51 VAL HG11 H 1 0.895 0.030 . 1 . . . . 51 VAL HG1 . 10046 1 574 . 1 1 51 51 VAL HG12 H 1 0.895 0.030 . 1 . . . . 51 VAL HG1 . 10046 1 575 . 1 1 51 51 VAL HG13 H 1 0.895 0.030 . 1 . . . . 51 VAL HG1 . 10046 1 576 . 1 1 51 51 VAL HG21 H 1 0.843 0.030 . 1 . . . . 51 VAL HG2 . 10046 1 577 . 1 1 51 51 VAL HG22 H 1 0.843 0.030 . 1 . . . . 51 VAL HG2 . 10046 1 578 . 1 1 51 51 VAL HG23 H 1 0.843 0.030 . 1 . . . . 51 VAL HG2 . 10046 1 579 . 1 1 51 51 VAL C C 13 175.304 0.300 . 1 . . . . 51 VAL C . 10046 1 580 . 1 1 51 51 VAL CA C 13 63.232 0.300 . 1 . . . . 51 VAL CA . 10046 1 581 . 1 1 51 51 VAL CB C 13 32.554 0.300 . 1 . . . . 51 VAL CB . 10046 1 582 . 1 1 51 51 VAL CG1 C 13 21.988 0.300 . 2 . . . . 51 VAL CG1 . 10046 1 583 . 1 1 51 51 VAL CG2 C 13 21.069 0.300 . 2 . . . . 51 VAL CG2 . 10046 1 584 . 1 1 51 51 VAL N N 15 115.728 0.300 . 1 . . . . 51 VAL N . 10046 1 585 . 1 1 52 52 LEU H H 1 8.276 0.030 . 1 . . . . 52 LEU H . 10046 1 586 . 1 1 52 52 LEU HA H 1 4.859 0.030 . 1 . . . . 52 LEU HA . 10046 1 587 . 1 1 52 52 LEU HB2 H 1 1.423 0.030 . 2 . . . . 52 LEU HB2 . 10046 1 588 . 1 1 52 52 LEU HB3 H 1 1.670 0.030 . 2 . . . . 52 LEU HB3 . 10046 1 589 . 1 1 52 52 LEU HG H 1 1.568 0.030 . 1 . . . . 52 LEU HG . 10046 1 590 . 1 1 52 52 LEU HD11 H 1 0.882 0.030 . 1 . . . . 52 LEU HD1 . 10046 1 591 . 1 1 52 52 LEU HD12 H 1 0.882 0.030 . 1 . . . . 52 LEU HD1 . 10046 1 592 . 1 1 52 52 LEU HD13 H 1 0.882 0.030 . 1 . . . . 52 LEU HD1 . 10046 1 593 . 1 1 52 52 LEU HD21 H 1 0.869 0.030 . 1 . . . . 52 LEU HD2 . 10046 1 594 . 1 1 52 52 LEU HD22 H 1 0.869 0.030 . 1 . . . . 52 LEU HD2 . 10046 1 595 . 1 1 52 52 LEU HD23 H 1 0.869 0.030 . 1 . . . . 52 LEU HD2 . 10046 1 596 . 1 1 52 52 LEU C C 13 175.304 0.300 . 1 . . . . 52 LEU C . 10046 1 597 . 1 1 52 52 LEU CA C 13 52.271 0.300 . 1 . . . . 52 LEU CA . 10046 1 598 . 1 1 52 52 LEU CB C 13 42.736 0.300 . 1 . . . . 52 LEU CB . 10046 1 599 . 1 1 52 52 LEU CG C 13 26.872 0.300 . 1 . . . . 52 LEU CG . 10046 1 600 . 1 1 52 52 LEU CD1 C 13 25.021 0.300 . 2 . . . . 52 LEU CD1 . 10046 1 601 . 1 1 52 52 LEU CD2 C 13 25.559 0.300 . 2 . . . . 52 LEU CD2 . 10046 1 602 . 1 1 52 52 LEU N N 15 121.935 0.300 . 1 . . . . 52 LEU N . 10046 1 603 . 1 1 53 53 PRO HA H 1 4.594 0.030 . 1 . . . . 53 PRO HA . 10046 1 604 . 1 1 53 53 PRO HB2 H 1 2.315 0.030 . 2 . . . . 53 PRO HB2 . 10046 1 605 . 1 1 53 53 PRO HB3 H 1 1.971 0.030 . 2 . . . . 53 PRO HB3 . 10046 1 606 . 1 1 53 53 PRO HG2 H 1 1.974 0.030 . 2 . . . . 53 PRO HG2 . 10046 1 607 . 1 1 53 53 PRO HG3 H 1 1.928 0.030 . 2 . . . . 53 PRO HG3 . 10046 1 608 . 1 1 53 53 PRO HD2 H 1 3.657 0.030 . 2 . . . . 53 PRO HD2 . 10046 1 609 . 1 1 53 53 PRO HD3 H 1 3.296 0.030 . 2 . . . . 53 PRO HD3 . 10046 1 610 . 1 1 53 53 PRO C C 13 178.282 0.300 . 1 . . . . 53 PRO C . 10046 1 611 . 1 1 53 53 PRO CA C 13 64.571 0.300 . 1 . . . . 53 PRO CA . 10046 1 612 . 1 1 53 53 PRO CB C 13 32.190 0.300 . 1 . . . . 53 PRO CB . 10046 1 613 . 1 1 53 53 PRO CG C 13 27.308 0.300 . 1 . . . . 53 PRO CG . 10046 1 614 . 1 1 53 53 PRO CD C 13 50.449 0.300 . 1 . . . . 53 PRO CD . 10046 1 615 . 1 1 54 54 GLU H H 1 8.796 0.030 . 1 . . . . 54 GLU H . 10046 1 616 . 1 1 54 54 GLU HA H 1 4.283 0.030 . 1 . . . . 54 GLU HA . 10046 1 617 . 1 1 54 54 GLU HB2 H 1 2.150 0.030 . 2 . . . . 54 GLU HB2 . 10046 1 618 . 1 1 54 54 GLU HB3 H 1 1.956 0.030 . 2 . . . . 54 GLU HB3 . 10046 1 619 . 1 1 54 54 GLU HG2 H 1 2.211 0.030 . 1 . . . . 54 GLU HG2 . 10046 1 620 . 1 1 54 54 GLU HG3 H 1 2.211 0.030 . 1 . . . . 54 GLU HG3 . 10046 1 621 . 1 1 54 54 GLU C C 13 175.854 0.300 . 1 . . . . 54 GLU C . 10046 1 622 . 1 1 54 54 GLU CA C 13 56.796 0.300 . 1 . . . . 54 GLU CA . 10046 1 623 . 1 1 54 54 GLU CB C 13 29.259 0.300 . 1 . . . . 54 GLU CB . 10046 1 624 . 1 1 54 54 GLU CG C 13 36.569 0.300 . 1 . . . . 54 GLU CG . 10046 1 625 . 1 1 54 54 GLU N N 15 116.881 0.300 . 1 . . . . 54 GLU N . 10046 1 626 . 1 1 55 55 ALA H H 1 7.577 0.030 . 1 . . . . 55 ALA H . 10046 1 627 . 1 1 55 55 ALA HA H 1 4.583 0.030 . 1 . . . . 55 ALA HA . 10046 1 628 . 1 1 55 55 ALA HB1 H 1 1.344 0.030 . 1 . . . . 55 ALA HB . 10046 1 629 . 1 1 55 55 ALA HB2 H 1 1.344 0.030 . 1 . . . . 55 ALA HB . 10046 1 630 . 1 1 55 55 ALA HB3 H 1 1.344 0.030 . 1 . . . . 55 ALA HB . 10046 1 631 . 1 1 55 55 ALA C C 13 176.963 0.300 . 1 . . . . 55 ALA C . 10046 1 632 . 1 1 55 55 ALA CA C 13 51.219 0.300 . 1 . . . . 55 ALA CA . 10046 1 633 . 1 1 55 55 ALA CB C 13 20.995 0.300 . 1 . . . . 55 ALA CB . 10046 1 634 . 1 1 55 55 ALA N N 15 122.695 0.300 . 1 . . . . 55 ALA N . 10046 1 635 . 1 1 56 56 THR H H 1 8.535 0.030 . 1 . . . . 56 THR H . 10046 1 636 . 1 1 56 56 THR HA H 1 4.412 0.030 . 1 . . . . 56 THR HA . 10046 1 637 . 1 1 56 56 THR HB H 1 4.127 0.030 . 1 . . . . 56 THR HB . 10046 1 638 . 1 1 56 56 THR HG21 H 1 1.172 0.030 . 1 . . . . 56 THR HG2 . 10046 1 639 . 1 1 56 56 THR HG22 H 1 1.172 0.030 . 1 . . . . 56 THR HG2 . 10046 1 640 . 1 1 56 56 THR HG23 H 1 1.172 0.030 . 1 . . . . 56 THR HG2 . 10046 1 641 . 1 1 56 56 THR C C 13 174.533 0.300 . 1 . . . . 56 THR C . 10046 1 642 . 1 1 56 56 THR CA C 13 61.752 0.300 . 1 . . . . 56 THR CA . 10046 1 643 . 1 1 56 56 THR CB C 13 69.189 0.300 . 1 . . . . 56 THR CB . 10046 1 644 . 1 1 56 56 THR CG2 C 13 21.718 0.300 . 1 . . . . 56 THR CG2 . 10046 1 645 . 1 1 56 56 THR N N 15 116.759 0.300 . 1 . . . . 56 THR N . 10046 1 646 . 1 1 57 57 THR H H 1 8.526 0.030 . 1 . . . . 57 THR H . 10046 1 647 . 1 1 57 57 THR HA H 1 4.522 0.030 . 1 . . . . 57 THR HA . 10046 1 648 . 1 1 57 57 THR HB H 1 3.968 0.030 . 1 . . . . 57 THR HB . 10046 1 649 . 1 1 57 57 THR HG21 H 1 1.401 0.030 . 1 . . . . 57 THR HG2 . 10046 1 650 . 1 1 57 57 THR HG22 H 1 1.401 0.030 . 1 . . . . 57 THR HG2 . 10046 1 651 . 1 1 57 57 THR HG23 H 1 1.401 0.030 . 1 . . . . 57 THR HG2 . 10046 1 652 . 1 1 57 57 THR C C 13 174.652 0.300 . 1 . . . . 57 THR C . 10046 1 653 . 1 1 57 57 THR CA C 13 63.061 0.300 . 1 . . . . 57 THR CA . 10046 1 654 . 1 1 57 57 THR CB C 13 69.132 0.300 . 1 . . . . 57 THR CB . 10046 1 655 . 1 1 57 57 THR CG2 C 13 23.228 0.300 . 1 . . . . 57 THR CG2 . 10046 1 656 . 1 1 57 57 THR N N 15 123.062 0.300 . 1 . . . . 57 THR N . 10046 1 657 . 1 1 58 58 THR H H 1 8.767 0.030 . 1 . . . . 58 THR H . 10046 1 658 . 1 1 58 58 THR HA H 1 4.525 0.030 . 1 . . . . 58 THR HA . 10046 1 659 . 1 1 58 58 THR HB H 1 4.494 0.030 . 1 . . . . 58 THR HB . 10046 1 660 . 1 1 58 58 THR HG21 H 1 1.174 0.030 . 1 . . . . 58 THR HG2 . 10046 1 661 . 1 1 58 58 THR HG22 H 1 1.174 0.030 . 1 . . . . 58 THR HG2 . 10046 1 662 . 1 1 58 58 THR HG23 H 1 1.174 0.030 . 1 . . . . 58 THR HG2 . 10046 1 663 . 1 1 58 58 THR C C 13 173.333 0.300 . 1 . . . . 58 THR C . 10046 1 664 . 1 1 58 58 THR CA C 13 61.154 0.300 . 1 . . . . 58 THR CA . 10046 1 665 . 1 1 58 58 THR CB C 13 70.029 0.300 . 1 . . . . 58 THR CB . 10046 1 666 . 1 1 58 58 THR CG2 C 13 22.011 0.300 . 1 . . . . 58 THR CG2 . 10046 1 667 . 1 1 58 58 THR N N 15 114.969 0.300 . 1 . . . . 58 THR N . 10046 1 668 . 1 1 59 59 ALA H H 1 8.077 0.030 . 1 . . . . 59 ALA H . 10046 1 669 . 1 1 59 59 ALA HA H 1 4.914 0.030 . 1 . . . . 59 ALA HA . 10046 1 670 . 1 1 59 59 ALA HB1 H 1 1.441 0.030 . 1 . . . . 59 ALA HB . 10046 1 671 . 1 1 59 59 ALA HB2 H 1 1.441 0.030 . 1 . . . . 59 ALA HB . 10046 1 672 . 1 1 59 59 ALA HB3 H 1 1.441 0.030 . 1 . . . . 59 ALA HB . 10046 1 673 . 1 1 59 59 ALA C C 13 174.536 0.300 . 1 . . . . 59 ALA C . 10046 1 674 . 1 1 59 59 ALA CA C 13 51.732 0.300 . 1 . . . . 59 ALA CA . 10046 1 675 . 1 1 59 59 ALA CB C 13 22.289 0.300 . 1 . . . . 59 ALA CB . 10046 1 676 . 1 1 59 59 ALA N N 15 121.681 0.300 . 1 . . . . 59 ALA N . 10046 1 677 . 1 1 60 60 PHE H H 1 7.812 0.030 . 1 . . . . 60 PHE H . 10046 1 678 . 1 1 60 60 PHE HA H 1 5.263 0.030 . 1 . . . . 60 PHE HA . 10046 1 679 . 1 1 60 60 PHE HB2 H 1 2.989 0.030 . 2 . . . . 60 PHE HB2 . 10046 1 680 . 1 1 60 60 PHE HB3 H 1 2.923 0.030 . 2 . . . . 60 PHE HB3 . 10046 1 681 . 1 1 60 60 PHE HD1 H 1 6.854 0.030 . 1 . . . . 60 PHE HD1 . 10046 1 682 . 1 1 60 60 PHE HD2 H 1 6.854 0.030 . 1 . . . . 60 PHE HD2 . 10046 1 683 . 1 1 60 60 PHE HE1 H 1 7.267 0.030 . 1 . . . . 60 PHE HE1 . 10046 1 684 . 1 1 60 60 PHE HE2 H 1 7.267 0.030 . 1 . . . . 60 PHE HE2 . 10046 1 685 . 1 1 60 60 PHE HZ H 1 7.450 0.030 . 1 . . . . 60 PHE HZ . 10046 1 686 . 1 1 60 60 PHE C C 13 171.930 0.300 . 1 . . . . 60 PHE C . 10046 1 687 . 1 1 60 60 PHE CA C 13 56.137 0.300 . 1 . . . . 60 PHE CA . 10046 1 688 . 1 1 60 60 PHE CB C 13 41.341 0.300 . 1 . . . . 60 PHE CB . 10046 1 689 . 1 1 60 60 PHE CD1 C 13 132.389 0.300 . 1 . . . . 60 PHE CD1 . 10046 1 690 . 1 1 60 60 PHE CD2 C 13 132.389 0.300 . 1 . . . . 60 PHE CD2 . 10046 1 691 . 1 1 60 60 PHE CE1 C 13 131.426 0.300 . 1 . . . . 60 PHE CE1 . 10046 1 692 . 1 1 60 60 PHE CE2 C 13 131.426 0.300 . 1 . . . . 60 PHE CE2 . 10046 1 693 . 1 1 60 60 PHE CZ C 13 129.296 0.300 . 1 . . . . 60 PHE CZ . 10046 1 694 . 1 1 60 60 PHE N N 15 111.442 0.300 . 1 . . . . 60 PHE N . 10046 1 695 . 1 1 61 61 GLU H H 1 9.150 0.030 . 1 . . . . 61 GLU H . 10046 1 696 . 1 1 61 61 GLU HA H 1 6.089 0.030 . 1 . . . . 61 GLU HA . 10046 1 697 . 1 1 61 61 GLU HB2 H 1 2.133 0.030 . 2 . . . . 61 GLU HB2 . 10046 1 698 . 1 1 61 61 GLU HB3 H 1 1.929 0.030 . 2 . . . . 61 GLU HB3 . 10046 1 699 . 1 1 61 61 GLU HG2 H 1 2.298 0.030 . 2 . . . . 61 GLU HG2 . 10046 1 700 . 1 1 61 61 GLU HG3 H 1 2.094 0.030 . 2 . . . . 61 GLU HG3 . 10046 1 701 . 1 1 61 61 GLU C C 13 175.691 0.300 . 1 . . . . 61 GLU C . 10046 1 702 . 1 1 61 61 GLU CA C 13 53.599 0.300 . 1 . . . . 61 GLU CA . 10046 1 703 . 1 1 61 61 GLU CB C 13 34.815 0.300 . 1 . . . . 61 GLU CB . 10046 1 704 . 1 1 61 61 GLU CG C 13 36.406 0.300 . 1 . . . . 61 GLU CG . 10046 1 705 . 1 1 61 61 GLU N N 15 117.746 0.300 . 1 . . . . 61 GLU N . 10046 1 706 . 1 1 62 62 TYR H H 1 8.823 0.030 . 1 . . . . 62 TYR H . 10046 1 707 . 1 1 62 62 TYR HA H 1 5.519 0.030 . 1 . . . . 62 TYR HA . 10046 1 708 . 1 1 62 62 TYR HB2 H 1 3.392 0.030 . 2 . . . . 62 TYR HB2 . 10046 1 709 . 1 1 62 62 TYR HB3 H 1 3.249 0.030 . 2 . . . . 62 TYR HB3 . 10046 1 710 . 1 1 62 62 TYR HD1 H 1 7.074 0.030 . 1 . . . . 62 TYR HD1 . 10046 1 711 . 1 1 62 62 TYR HD2 H 1 7.074 0.030 . 1 . . . . 62 TYR HD2 . 10046 1 712 . 1 1 62 62 TYR HE1 H 1 6.521 0.030 . 1 . . . . 62 TYR HE1 . 10046 1 713 . 1 1 62 62 TYR HE2 H 1 6.521 0.030 . 1 . . . . 62 TYR HE2 . 10046 1 714 . 1 1 62 62 TYR C C 13 172.580 0.300 . 1 . . . . 62 TYR C . 10046 1 715 . 1 1 62 62 TYR CA C 13 55.905 0.300 . 1 . . . . 62 TYR CA . 10046 1 716 . 1 1 62 62 TYR CB C 13 41.277 0.300 . 1 . . . . 62 TYR CB . 10046 1 717 . 1 1 62 62 TYR CD1 C 13 134.139 0.300 . 1 . . . . 62 TYR CD1 . 10046 1 718 . 1 1 62 62 TYR CD2 C 13 134.139 0.300 . 1 . . . . 62 TYR CD2 . 10046 1 719 . 1 1 62 62 TYR CE1 C 13 117.427 0.300 . 1 . . . . 62 TYR CE1 . 10046 1 720 . 1 1 62 62 TYR CE2 C 13 117.427 0.300 . 1 . . . . 62 TYR CE2 . 10046 1 721 . 1 1 62 62 TYR N N 15 117.798 0.300 . 1 . . . . 62 TYR N . 10046 1 722 . 1 1 63 63 GLU H H 1 9.598 0.030 . 1 . . . . 63 GLU H . 10046 1 723 . 1 1 63 63 GLU HA H 1 5.127 0.030 . 1 . . . . 63 GLU HA . 10046 1 724 . 1 1 63 63 GLU HB2 H 1 2.040 0.030 . 2 . . . . 63 GLU HB2 . 10046 1 725 . 1 1 63 63 GLU HB3 H 1 1.919 0.030 . 2 . . . . 63 GLU HB3 . 10046 1 726 . 1 1 63 63 GLU HG2 H 1 2.119 0.030 . 2 . . . . 63 GLU HG2 . 10046 1 727 . 1 1 63 63 GLU HG3 H 1 2.046 0.030 . 2 . . . . 63 GLU HG3 . 10046 1 728 . 1 1 63 63 GLU C C 13 176.039 0.300 . 1 . . . . 63 GLU C . 10046 1 729 . 1 1 63 63 GLU CA C 13 54.575 0.300 . 1 . . . . 63 GLU CA . 10046 1 730 . 1 1 63 63 GLU CB C 13 32.477 0.300 . 1 . . . . 63 GLU CB . 10046 1 731 . 1 1 63 63 GLU CG C 13 37.841 0.300 . 1 . . . . 63 GLU CG . 10046 1 732 . 1 1 63 63 GLU N N 15 120.483 0.300 . 1 . . . . 63 GLU N . 10046 1 733 . 1 1 64 64 ASP H H 1 8.377 0.030 . 1 . . . . 64 ASP H . 10046 1 734 . 1 1 64 64 ASP HA H 1 4.441 0.030 . 1 . . . . 64 ASP HA . 10046 1 735 . 1 1 64 64 ASP HB2 H 1 3.085 0.030 . 2 . . . . 64 ASP HB2 . 10046 1 736 . 1 1 64 64 ASP HB3 H 1 2.309 0.030 . 2 . . . . 64 ASP HB3 . 10046 1 737 . 1 1 64 64 ASP C C 13 178.405 0.300 . 1 . . . . 64 ASP C . 10046 1 738 . 1 1 64 64 ASP CA C 13 51.900 0.300 . 1 . . . . 64 ASP CA . 10046 1 739 . 1 1 64 64 ASP CB C 13 40.695 0.300 . 1 . . . . 64 ASP CB . 10046 1 740 . 1 1 64 64 ASP N N 15 123.533 0.300 . 1 . . . . 64 ASP N . 10046 1 741 . 1 1 65 65 GLU H H 1 8.553 0.030 . 1 . . . . 65 GLU H . 10046 1 742 . 1 1 65 65 GLU HA H 1 4.181 0.030 . 1 . . . . 65 GLU HA . 10046 1 743 . 1 1 65 65 GLU HB2 H 1 2.172 0.030 . 2 . . . . 65 GLU HB2 . 10046 1 744 . 1 1 65 65 GLU HB3 H 1 2.104 0.030 . 2 . . . . 65 GLU HB3 . 10046 1 745 . 1 1 65 65 GLU HG2 H 1 2.350 0.030 . 1 . . . . 65 GLU HG2 . 10046 1 746 . 1 1 65 65 GLU HG3 H 1 2.350 0.030 . 1 . . . . 65 GLU HG3 . 10046 1 747 . 1 1 65 65 GLU C C 13 177.136 0.300 . 1 . . . . 65 GLU C . 10046 1 748 . 1 1 65 65 GLU CA C 13 59.127 0.300 . 1 . . . . 65 GLU CA . 10046 1 749 . 1 1 65 65 GLU CB C 13 29.716 0.300 . 1 . . . . 65 GLU CB . 10046 1 750 . 1 1 65 65 GLU CG C 13 36.052 0.300 . 1 . . . . 65 GLU CG . 10046 1 751 . 1 1 65 65 GLU N N 15 117.704 0.300 . 1 . . . . 65 GLU N . 10046 1 752 . 1 1 66 66 ASP H H 1 7.895 0.030 . 1 . . . . 66 ASP H . 10046 1 753 . 1 1 66 66 ASP HA H 1 4.835 0.030 . 1 . . . . 66 ASP HA . 10046 1 754 . 1 1 66 66 ASP HB2 H 1 2.836 0.030 . 2 . . . . 66 ASP HB2 . 10046 1 755 . 1 1 66 66 ASP HB3 H 1 2.576 0.030 . 2 . . . . 66 ASP HB3 . 10046 1 756 . 1 1 66 66 ASP C C 13 176.415 0.300 . 1 . . . . 66 ASP C . 10046 1 757 . 1 1 66 66 ASP CA C 13 54.406 0.300 . 1 . . . . 66 ASP CA . 10046 1 758 . 1 1 66 66 ASP CB C 13 41.987 0.300 . 1 . . . . 66 ASP CB . 10046 1 759 . 1 1 66 66 ASP N N 15 118.102 0.300 . 1 . . . . 66 ASP N . 10046 1 760 . 1 1 67 67 GLY H H 1 8.188 0.030 . 1 . . . . 67 GLY H . 10046 1 761 . 1 1 67 67 GLY HA2 H 1 4.193 0.030 . 2 . . . . 67 GLY HA2 . 10046 1 762 . 1 1 67 67 GLY HA3 H 1 3.596 0.030 . 2 . . . . 67 GLY HA3 . 10046 1 763 . 1 1 67 67 GLY C C 13 173.932 0.300 . 1 . . . . 67 GLY C . 10046 1 764 . 1 1 67 67 GLY CA C 13 45.314 0.300 . 1 . . . . 67 GLY CA . 10046 1 765 . 1 1 67 67 GLY N N 15 109.070 0.300 . 1 . . . . 67 GLY N . 10046 1 766 . 1 1 68 68 ASP H H 1 8.183 0.030 . 1 . . . . 68 ASP H . 10046 1 767 . 1 1 68 68 ASP HA H 1 4.562 0.030 . 1 . . . . 68 ASP HA . 10046 1 768 . 1 1 68 68 ASP HB2 H 1 2.611 0.030 . 2 . . . . 68 ASP HB2 . 10046 1 769 . 1 1 68 68 ASP HB3 H 1 2.389 0.030 . 2 . . . . 68 ASP HB3 . 10046 1 770 . 1 1 68 68 ASP C C 13 175.417 0.300 . 1 . . . . 68 ASP C . 10046 1 771 . 1 1 68 68 ASP CA C 13 54.064 0.300 . 1 . . . . 68 ASP CA . 10046 1 772 . 1 1 68 68 ASP CB C 13 41.244 0.300 . 1 . . . . 68 ASP CB . 10046 1 773 . 1 1 68 68 ASP N N 15 122.417 0.300 . 1 . . . . 68 ASP N . 10046 1 774 . 1 1 69 69 ARG H H 1 8.119 0.030 . 1 . . . . 69 ARG H . 10046 1 775 . 1 1 69 69 ARG HA H 1 4.600 0.030 . 1 . . . . 69 ARG HA . 10046 1 776 . 1 1 69 69 ARG HB2 H 1 1.701 0.030 . 2 . . . . 69 ARG HB2 . 10046 1 777 . 1 1 69 69 ARG HB3 H 1 1.206 0.030 . 2 . . . . 69 ARG HB3 . 10046 1 778 . 1 1 69 69 ARG HG2 H 1 1.497 0.030 . 2 . . . . 69 ARG HG2 . 10046 1 779 . 1 1 69 69 ARG HG3 H 1 1.315 0.030 . 2 . . . . 69 ARG HG3 . 10046 1 780 . 1 1 69 69 ARG HD2 H 1 2.773 0.030 . 2 . . . . 69 ARG HD2 . 10046 1 781 . 1 1 69 69 ARG HD3 H 1 2.614 0.030 . 2 . . . . 69 ARG HD3 . 10046 1 782 . 1 1 69 69 ARG HE H 1 7.522 0.030 . 1 . . . . 69 ARG HE . 10046 1 783 . 1 1 69 69 ARG C C 13 176.034 0.300 . 1 . . . . 69 ARG C . 10046 1 784 . 1 1 69 69 ARG CA C 13 54.007 0.300 . 1 . . . . 69 ARG CA . 10046 1 785 . 1 1 69 69 ARG CB C 13 30.680 0.300 . 1 . . . . 69 ARG CB . 10046 1 786 . 1 1 69 69 ARG CG C 13 27.139 0.300 . 1 . . . . 69 ARG CG . 10046 1 787 . 1 1 69 69 ARG CD C 13 42.461 0.300 . 1 . . . . 69 ARG CD . 10046 1 788 . 1 1 69 69 ARG N N 15 118.998 0.300 . 1 . . . . 69 ARG N . 10046 1 789 . 1 1 69 69 ARG NE N 15 84.451 0.300 . 1 . . . . 69 ARG NE . 10046 1 790 . 1 1 70 70 ILE H H 1 8.912 0.030 . 1 . . . . 70 ILE H . 10046 1 791 . 1 1 70 70 ILE HA H 1 4.011 0.030 . 1 . . . . 70 ILE HA . 10046 1 792 . 1 1 70 70 ILE HB H 1 0.663 0.030 . 1 . . . . 70 ILE HB . 10046 1 793 . 1 1 70 70 ILE HG12 H 1 0.905 0.030 . 1 . . . . 70 ILE HG12 . 10046 1 794 . 1 1 70 70 ILE HG13 H 1 0.905 0.030 . 1 . . . . 70 ILE HG13 . 10046 1 795 . 1 1 70 70 ILE HG21 H 1 0.741 0.030 . 1 . . . . 70 ILE HG2 . 10046 1 796 . 1 1 70 70 ILE HG22 H 1 0.741 0.030 . 1 . . . . 70 ILE HG2 . 10046 1 797 . 1 1 70 70 ILE HG23 H 1 0.741 0.030 . 1 . . . . 70 ILE HG2 . 10046 1 798 . 1 1 70 70 ILE HD11 H 1 0.488 0.030 . 1 . . . . 70 ILE HD1 . 10046 1 799 . 1 1 70 70 ILE HD12 H 1 0.488 0.030 . 1 . . . . 70 ILE HD1 . 10046 1 800 . 1 1 70 70 ILE HD13 H 1 0.488 0.030 . 1 . . . . 70 ILE HD1 . 10046 1 801 . 1 1 70 70 ILE C C 13 175.515 0.300 . 1 . . . . 70 ILE C . 10046 1 802 . 1 1 70 70 ILE CA C 13 59.236 0.300 . 1 . . . . 70 ILE CA . 10046 1 803 . 1 1 70 70 ILE CB C 13 38.175 0.300 . 1 . . . . 70 ILE CB . 10046 1 804 . 1 1 70 70 ILE CG1 C 13 27.296 0.300 . 1 . . . . 70 ILE CG1 . 10046 1 805 . 1 1 70 70 ILE CG2 C 13 17.941 0.300 . 1 . . . . 70 ILE CG2 . 10046 1 806 . 1 1 70 70 ILE CD1 C 13 11.259 0.300 . 1 . . . . 70 ILE CD1 . 10046 1 807 . 1 1 70 70 ILE N N 15 128.396 0.300 . 1 . . . . 70 ILE N . 10046 1 808 . 1 1 71 71 THR H H 1 8.459 0.030 . 1 . . . . 71 THR H . 10046 1 809 . 1 1 71 71 THR HA H 1 4.363 0.030 . 1 . . . . 71 THR HA . 10046 1 810 . 1 1 71 71 THR HB H 1 3.831 0.030 . 1 . . . . 71 THR HB . 10046 1 811 . 1 1 71 71 THR HG21 H 1 0.974 0.030 . 1 . . . . 71 THR HG2 . 10046 1 812 . 1 1 71 71 THR HG22 H 1 0.974 0.030 . 1 . . . . 71 THR HG2 . 10046 1 813 . 1 1 71 71 THR HG23 H 1 0.974 0.030 . 1 . . . . 71 THR HG2 . 10046 1 814 . 1 1 71 71 THR C C 13 172.933 0.300 . 1 . . . . 71 THR C . 10046 1 815 . 1 1 71 71 THR CA C 13 63.739 0.300 . 1 . . . . 71 THR CA . 10046 1 816 . 1 1 71 71 THR CB C 13 69.034 0.300 . 1 . . . . 71 THR CB . 10046 1 817 . 1 1 71 71 THR CG2 C 13 22.277 0.300 . 1 . . . . 71 THR CG2 . 10046 1 818 . 1 1 71 71 THR N N 15 121.883 0.300 . 1 . . . . 71 THR N . 10046 1 819 . 1 1 72 72 VAL H H 1 9.181 0.030 . 1 . . . . 72 VAL H . 10046 1 820 . 1 1 72 72 VAL HA H 1 3.900 0.030 . 1 . . . . 72 VAL HA . 10046 1 821 . 1 1 72 72 VAL HB H 1 0.996 0.030 . 1 . . . . 72 VAL HB . 10046 1 822 . 1 1 72 72 VAL HG11 H 1 0.770 0.030 . 1 . . . . 72 VAL HG1 . 10046 1 823 . 1 1 72 72 VAL HG12 H 1 0.770 0.030 . 1 . . . . 72 VAL HG1 . 10046 1 824 . 1 1 72 72 VAL HG13 H 1 0.770 0.030 . 1 . . . . 72 VAL HG1 . 10046 1 825 . 1 1 72 72 VAL HG21 H 1 1.141 0.030 . 1 . . . . 72 VAL HG2 . 10046 1 826 . 1 1 72 72 VAL HG22 H 1 1.141 0.030 . 1 . . . . 72 VAL HG2 . 10046 1 827 . 1 1 72 72 VAL HG23 H 1 1.141 0.030 . 1 . . . . 72 VAL HG2 . 10046 1 828 . 1 1 72 72 VAL C C 13 174.726 0.300 . 1 . . . . 72 VAL C . 10046 1 829 . 1 1 72 72 VAL CA C 13 62.236 0.300 . 1 . . . . 72 VAL CA . 10046 1 830 . 1 1 72 72 VAL CB C 13 32.270 0.300 . 1 . . . . 72 VAL CB . 10046 1 831 . 1 1 72 72 VAL CG1 C 13 22.045 0.300 . 2 . . . . 72 VAL CG1 . 10046 1 832 . 1 1 72 72 VAL CG2 C 13 22.013 0.300 . 2 . . . . 72 VAL CG2 . 10046 1 833 . 1 1 72 72 VAL N N 15 128.730 0.300 . 1 . . . . 72 VAL N . 10046 1 834 . 1 1 73 73 ARG H H 1 8.367 0.030 . 1 . . . . 73 ARG H . 10046 1 835 . 1 1 73 73 ARG HA H 1 4.518 0.030 . 1 . . . . 73 ARG HA . 10046 1 836 . 1 1 73 73 ARG HB2 H 1 1.825 0.030 . 2 . . . . 73 ARG HB2 . 10046 1 837 . 1 1 73 73 ARG HB3 H 1 1.675 0.030 . 2 . . . . 73 ARG HB3 . 10046 1 838 . 1 1 73 73 ARG HG2 H 1 1.383 0.030 . 2 . . . . 73 ARG HG2 . 10046 1 839 . 1 1 73 73 ARG HG3 H 1 1.574 0.030 . 2 . . . . 73 ARG HG3 . 10046 1 840 . 1 1 73 73 ARG HD2 H 1 3.114 0.030 . 1 . . . . 73 ARG HD2 . 10046 1 841 . 1 1 73 73 ARG HD3 H 1 3.114 0.030 . 1 . . . . 73 ARG HD3 . 10046 1 842 . 1 1 73 73 ARG C C 13 174.649 0.300 . 1 . . . . 73 ARG C . 10046 1 843 . 1 1 73 73 ARG CA C 13 55.051 0.300 . 1 . . . . 73 ARG CA . 10046 1 844 . 1 1 73 73 ARG CB C 13 32.246 0.300 . 1 . . . . 73 ARG CB . 10046 1 845 . 1 1 73 73 ARG CG C 13 27.631 0.300 . 1 . . . . 73 ARG CG . 10046 1 846 . 1 1 73 73 ARG CD C 13 43.477 0.300 . 1 . . . . 73 ARG CD . 10046 1 847 . 1 1 73 73 ARG N N 15 121.688 0.300 . 1 . . . . 73 ARG N . 10046 1 848 . 1 1 74 74 SER H H 1 7.012 0.030 . 1 . . . . 74 SER H . 10046 1 849 . 1 1 74 74 SER HA H 1 3.996 0.030 . 1 . . . . 74 SER HA . 10046 1 850 . 1 1 74 74 SER HB2 H 1 4.068 0.030 . 2 . . . . 74 SER HB2 . 10046 1 851 . 1 1 74 74 SER HB3 H 1 3.759 0.030 . 2 . . . . 74 SER HB3 . 10046 1 852 . 1 1 74 74 SER C C 13 173.929 0.300 . 1 . . . . 74 SER C . 10046 1 853 . 1 1 74 74 SER CA C 13 56.812 0.300 . 1 . . . . 74 SER CA . 10046 1 854 . 1 1 74 74 SER CB C 13 66.802 0.300 . 1 . . . . 74 SER CB . 10046 1 855 . 1 1 74 74 SER N N 15 112.245 0.300 . 1 . . . . 74 SER N . 10046 1 856 . 1 1 75 75 ASP H H 1 9.064 0.030 . 1 . . . . 75 ASP H . 10046 1 857 . 1 1 75 75 ASP HA H 1 4.609 0.030 . 1 . . . . 75 ASP HA . 10046 1 858 . 1 1 75 75 ASP HB2 H 1 2.729 0.030 . 2 . . . . 75 ASP HB2 . 10046 1 859 . 1 1 75 75 ASP HB3 H 1 2.621 0.030 . 2 . . . . 75 ASP HB3 . 10046 1 860 . 1 1 75 75 ASP C C 13 178.279 0.300 . 1 . . . . 75 ASP C . 10046 1 861 . 1 1 75 75 ASP CA C 13 58.819 0.300 . 1 . . . . 75 ASP CA . 10046 1 862 . 1 1 75 75 ASP CB C 13 41.664 0.300 . 1 . . . . 75 ASP CB . 10046 1 863 . 1 1 75 75 ASP N N 15 120.259 0.300 . 1 . . . . 75 ASP N . 10046 1 864 . 1 1 76 76 GLU H H 1 8.759 0.030 . 1 . . . . 76 GLU H . 10046 1 865 . 1 1 76 76 GLU HA H 1 4.075 0.030 . 1 . . . . 76 GLU HA . 10046 1 866 . 1 1 76 76 GLU HB2 H 1 2.060 0.030 . 2 . . . . 76 GLU HB2 . 10046 1 867 . 1 1 76 76 GLU HB3 H 1 1.957 0.030 . 2 . . . . 76 GLU HB3 . 10046 1 868 . 1 1 76 76 GLU HG2 H 1 2.372 0.030 . 2 . . . . 76 GLU HG2 . 10046 1 869 . 1 1 76 76 GLU HG3 H 1 2.314 0.030 . 2 . . . . 76 GLU HG3 . 10046 1 870 . 1 1 76 76 GLU C C 13 179.806 0.300 . 1 . . . . 76 GLU C . 10046 1 871 . 1 1 76 76 GLU CA C 13 60.419 0.300 . 1 . . . . 76 GLU CA . 10046 1 872 . 1 1 76 76 GLU CB C 13 29.194 0.300 . 1 . . . . 76 GLU CB . 10046 1 873 . 1 1 76 76 GLU CG C 13 36.504 0.300 . 1 . . . . 76 GLU CG . 10046 1 874 . 1 1 76 76 GLU N N 15 121.156 0.300 . 1 . . . . 76 GLU N . 10046 1 875 . 1 1 77 77 GLU H H 1 7.497 0.030 . 1 . . . . 77 GLU H . 10046 1 876 . 1 1 77 77 GLU HA H 1 4.252 0.030 . 1 . . . . 77 GLU HA . 10046 1 877 . 1 1 77 77 GLU HB2 H 1 2.313 0.030 . 2 . . . . 77 GLU HB2 . 10046 1 878 . 1 1 77 77 GLU HB3 H 1 2.165 0.030 . 2 . . . . 77 GLU HB3 . 10046 1 879 . 1 1 77 77 GLU HG2 H 1 2.543 0.030 . 2 . . . . 77 GLU HG2 . 10046 1 880 . 1 1 77 77 GLU HG3 H 1 2.205 0.030 . 2 . . . . 77 GLU HG3 . 10046 1 881 . 1 1 77 77 GLU C C 13 179.046 0.300 . 1 . . . . 77 GLU C . 10046 1 882 . 1 1 77 77 GLU CA C 13 58.876 0.300 . 1 . . . . 77 GLU CA . 10046 1 883 . 1 1 77 77 GLU CB C 13 30.680 0.300 . 1 . . . . 77 GLU CB . 10046 1 884 . 1 1 77 77 GLU CG C 13 37.454 0.300 . 1 . . . . 77 GLU CG . 10046 1 885 . 1 1 77 77 GLU N N 15 118.018 0.300 . 1 . . . . 77 GLU N . 10046 1 886 . 1 1 78 78 MET H H 1 8.180 0.030 . 1 . . . . 78 MET H . 10046 1 887 . 1 1 78 78 MET HA H 1 4.247 0.030 . 1 . . . . 78 MET HA . 10046 1 888 . 1 1 78 78 MET HB2 H 1 2.547 0.030 . 2 . . . . 78 MET HB2 . 10046 1 889 . 1 1 78 78 MET HB3 H 1 2.391 0.030 . 2 . . . . 78 MET HB3 . 10046 1 890 . 1 1 78 78 MET HG2 H 1 2.856 0.030 . 2 . . . . 78 MET HG2 . 10046 1 891 . 1 1 78 78 MET HG3 H 1 2.779 0.030 . 2 . . . . 78 MET HG3 . 10046 1 892 . 1 1 78 78 MET HE1 H 1 1.935 0.030 . 1 . . . . 78 MET HE . 10046 1 893 . 1 1 78 78 MET HE2 H 1 1.935 0.030 . 1 . . . . 78 MET HE . 10046 1 894 . 1 1 78 78 MET HE3 H 1 1.935 0.030 . 1 . . . . 78 MET HE . 10046 1 895 . 1 1 78 78 MET C C 13 177.709 0.300 . 1 . . . . 78 MET C . 10046 1 896 . 1 1 78 78 MET CA C 13 57.979 0.300 . 1 . . . . 78 MET CA . 10046 1 897 . 1 1 78 78 MET CB C 13 32.233 0.300 . 1 . . . . 78 MET CB . 10046 1 898 . 1 1 78 78 MET CG C 13 32.805 0.300 . 1 . . . . 78 MET CG . 10046 1 899 . 1 1 78 78 MET CE C 13 17.876 0.300 . 1 . . . . 78 MET CE . 10046 1 900 . 1 1 78 78 MET N N 15 122.307 0.300 . 1 . . . . 78 MET N . 10046 1 901 . 1 1 79 79 LYS H H 1 8.096 0.030 . 1 . . . . 79 LYS H . 10046 1 902 . 1 1 79 79 LYS HA H 1 4.047 0.030 . 1 . . . . 79 LYS HA . 10046 1 903 . 1 1 79 79 LYS HB2 H 1 1.997 0.030 . 1 . . . . 79 LYS HB2 . 10046 1 904 . 1 1 79 79 LYS HB3 H 1 1.997 0.030 . 1 . . . . 79 LYS HB3 . 10046 1 905 . 1 1 79 79 LYS HG2 H 1 1.706 0.030 . 2 . . . . 79 LYS HG2 . 10046 1 906 . 1 1 79 79 LYS HG3 H 1 1.566 0.030 . 2 . . . . 79 LYS HG3 . 10046 1 907 . 1 1 79 79 LYS HD2 H 1 1.739 0.030 . 1 . . . . 79 LYS HD2 . 10046 1 908 . 1 1 79 79 LYS HD3 H 1 1.739 0.030 . 1 . . . . 79 LYS HD3 . 10046 1 909 . 1 1 79 79 LYS HE2 H 1 3.003 0.030 . 1 . . . . 79 LYS HE2 . 10046 1 910 . 1 1 79 79 LYS HE3 H 1 3.003 0.030 . 1 . . . . 79 LYS HE3 . 10046 1 911 . 1 1 79 79 LYS C C 13 179.377 0.300 . 1 . . . . 79 LYS C . 10046 1 912 . 1 1 79 79 LYS CA C 13 60.129 0.300 . 1 . . . . 79 LYS CA . 10046 1 913 . 1 1 79 79 LYS CB C 13 32.101 0.300 . 1 . . . . 79 LYS CB . 10046 1 914 . 1 1 79 79 LYS CG C 13 25.487 0.300 . 1 . . . . 79 LYS CG . 10046 1 915 . 1 1 79 79 LYS CD C 13 29.182 0.300 . 1 . . . . 79 LYS CD . 10046 1 916 . 1 1 79 79 LYS CE C 13 42.293 0.300 . 1 . . . . 79 LYS CE . 10046 1 917 . 1 1 79 79 LYS N N 15 119.316 0.300 . 1 . . . . 79 LYS N . 10046 1 918 . 1 1 80 80 ALA H H 1 7.549 0.030 . 1 . . . . 80 ALA H . 10046 1 919 . 1 1 80 80 ALA HA H 1 4.309 0.030 . 1 . . . . 80 ALA HA . 10046 1 920 . 1 1 80 80 ALA HB1 H 1 1.612 0.030 . 1 . . . . 80 ALA HB . 10046 1 921 . 1 1 80 80 ALA HB2 H 1 1.612 0.030 . 1 . . . . 80 ALA HB . 10046 1 922 . 1 1 80 80 ALA HB3 H 1 1.612 0.030 . 1 . . . . 80 ALA HB . 10046 1 923 . 1 1 80 80 ALA C C 13 180.092 0.300 . 1 . . . . 80 ALA C . 10046 1 924 . 1 1 80 80 ALA CA C 13 55.038 0.300 . 1 . . . . 80 ALA CA . 10046 1 925 . 1 1 80 80 ALA CB C 13 18.081 0.300 . 1 . . . . 80 ALA CB . 10046 1 926 . 1 1 80 80 ALA N N 15 121.457 0.300 . 1 . . . . 80 ALA N . 10046 1 927 . 1 1 81 81 MET H H 1 7.629 0.030 . 1 . . . . 81 MET H . 10046 1 928 . 1 1 81 81 MET HA H 1 3.795 0.030 . 1 . . . . 81 MET HA . 10046 1 929 . 1 1 81 81 MET HB2 H 1 2.439 0.030 . 2 . . . . 81 MET HB2 . 10046 1 930 . 1 1 81 81 MET HB3 H 1 1.684 0.030 . 2 . . . . 81 MET HB3 . 10046 1 931 . 1 1 81 81 MET HG2 H 1 1.507 0.030 . 2 . . . . 81 MET HG2 . 10046 1 932 . 1 1 81 81 MET HG3 H 1 0.674 0.030 . 2 . . . . 81 MET HG3 . 10046 1 933 . 1 1 81 81 MET HE1 H 1 1.937 0.030 . 1 . . . . 81 MET HE . 10046 1 934 . 1 1 81 81 MET HE2 H 1 1.937 0.030 . 1 . . . . 81 MET HE . 10046 1 935 . 1 1 81 81 MET HE3 H 1 1.937 0.030 . 1 . . . . 81 MET HE . 10046 1 936 . 1 1 81 81 MET C C 13 177.802 0.300 . 1 . . . . 81 MET C . 10046 1 937 . 1 1 81 81 MET CA C 13 59.132 0.300 . 1 . . . . 81 MET CA . 10046 1 938 . 1 1 81 81 MET CB C 13 33.323 0.300 . 1 . . . . 81 MET CB . 10046 1 939 . 1 1 81 81 MET CG C 13 30.924 0.300 . 1 . . . . 81 MET CG . 10046 1 940 . 1 1 81 81 MET CE C 13 17.389 0.300 . 1 . . . . 81 MET CE . 10046 1 941 . 1 1 81 81 MET N N 15 120.722 0.300 . 1 . . . . 81 MET N . 10046 1 942 . 1 1 82 82 LEU H H 1 8.341 0.030 . 1 . . . . 82 LEU H . 10046 1 943 . 1 1 82 82 LEU HA H 1 3.930 0.030 . 1 . . . . 82 LEU HA . 10046 1 944 . 1 1 82 82 LEU HB2 H 1 1.959 0.030 . 2 . . . . 82 LEU HB2 . 10046 1 945 . 1 1 82 82 LEU HB3 H 1 1.456 0.030 . 2 . . . . 82 LEU HB3 . 10046 1 946 . 1 1 82 82 LEU HG H 1 1.773 0.030 . 1 . . . . 82 LEU HG . 10046 1 947 . 1 1 82 82 LEU HD11 H 1 0.972 0.030 . 1 . . . . 82 LEU HD1 . 10046 1 948 . 1 1 82 82 LEU HD12 H 1 0.972 0.030 . 1 . . . . 82 LEU HD1 . 10046 1 949 . 1 1 82 82 LEU HD13 H 1 0.972 0.030 . 1 . . . . 82 LEU HD1 . 10046 1 950 . 1 1 82 82 LEU HD21 H 1 0.682 0.030 . 1 . . . . 82 LEU HD2 . 10046 1 951 . 1 1 82 82 LEU HD22 H 1 0.682 0.030 . 1 . . . . 82 LEU HD2 . 10046 1 952 . 1 1 82 82 LEU HD23 H 1 0.682 0.030 . 1 . . . . 82 LEU HD2 . 10046 1 953 . 1 1 82 82 LEU C C 13 178.229 0.300 . 1 . . . . 82 LEU C . 10046 1 954 . 1 1 82 82 LEU CA C 13 57.993 0.300 . 1 . . . . 82 LEU CA . 10046 1 955 . 1 1 82 82 LEU CB C 13 41.194 0.300 . 1 . . . . 82 LEU CB . 10046 1 956 . 1 1 82 82 LEU CG C 13 27.348 0.300 . 1 . . . . 82 LEU CG . 10046 1 957 . 1 1 82 82 LEU CD1 C 13 26.135 0.300 . 2 . . . . 82 LEU CD1 . 10046 1 958 . 1 1 82 82 LEU CD2 C 13 22.719 0.300 . 2 . . . . 82 LEU CD2 . 10046 1 959 . 1 1 82 82 LEU N N 15 118.355 0.300 . 1 . . . . 82 LEU N . 10046 1 960 . 1 1 83 83 SER H H 1 8.353 0.030 . 1 . . . . 83 SER H . 10046 1 961 . 1 1 83 83 SER HA H 1 4.311 0.030 . 1 . . . . 83 SER HA . 10046 1 962 . 1 1 83 83 SER HB2 H 1 4.084 0.030 . 1 . . . . 83 SER HB2 . 10046 1 963 . 1 1 83 83 SER HB3 H 1 4.084 0.030 . 1 . . . . 83 SER HB3 . 10046 1 964 . 1 1 83 83 SER C C 13 177.548 0.300 . 1 . . . . 83 SER C . 10046 1 965 . 1 1 83 83 SER CA C 13 62.202 0.300 . 1 . . . . 83 SER CA . 10046 1 966 . 1 1 83 83 SER CB C 13 62.779 0.300 . 1 . . . . 83 SER CB . 10046 1 967 . 1 1 83 83 SER N N 15 114.117 0.300 . 1 . . . . 83 SER N . 10046 1 968 . 1 1 84 84 TYR H H 1 7.976 0.030 . 1 . . . . 84 TYR H . 10046 1 969 . 1 1 84 84 TYR HA H 1 4.466 0.030 . 1 . . . . 84 TYR HA . 10046 1 970 . 1 1 84 84 TYR HB2 H 1 3.508 0.030 . 2 . . . . 84 TYR HB2 . 10046 1 971 . 1 1 84 84 TYR HB3 H 1 3.291 0.030 . 2 . . . . 84 TYR HB3 . 10046 1 972 . 1 1 84 84 TYR HD1 H 1 7.272 0.030 . 1 . . . . 84 TYR HD1 . 10046 1 973 . 1 1 84 84 TYR HD2 H 1 7.272 0.030 . 1 . . . . 84 TYR HD2 . 10046 1 974 . 1 1 84 84 TYR HE1 H 1 7.052 0.030 . 1 . . . . 84 TYR HE1 . 10046 1 975 . 1 1 84 84 TYR HE2 H 1 7.052 0.030 . 1 . . . . 84 TYR HE2 . 10046 1 976 . 1 1 84 84 TYR C C 13 177.981 0.300 . 1 . . . . 84 TYR C . 10046 1 977 . 1 1 84 84 TYR CA C 13 60.727 0.300 . 1 . . . . 84 TYR CA . 10046 1 978 . 1 1 84 84 TYR CB C 13 37.723 0.300 . 1 . . . . 84 TYR CB . 10046 1 979 . 1 1 84 84 TYR CD1 C 13 133.344 0.300 . 1 . . . . 84 TYR CD1 . 10046 1 980 . 1 1 84 84 TYR CD2 C 13 133.344 0.300 . 1 . . . . 84 TYR CD2 . 10046 1 981 . 1 1 84 84 TYR CE1 C 13 118.553 0.300 . 1 . . . . 84 TYR CE1 . 10046 1 982 . 1 1 84 84 TYR CE2 C 13 118.553 0.300 . 1 . . . . 84 TYR CE2 . 10046 1 983 . 1 1 84 84 TYR N N 15 122.854 0.300 . 1 . . . . 84 TYR N . 10046 1 984 . 1 1 85 85 TYR H H 1 8.820 0.030 . 1 . . . . 85 TYR H . 10046 1 985 . 1 1 85 85 TYR HA H 1 3.816 0.030 . 1 . . . . 85 TYR HA . 10046 1 986 . 1 1 85 85 TYR HB2 H 1 3.035 0.030 . 2 . . . . 85 TYR HB2 . 10046 1 987 . 1 1 85 85 TYR HB3 H 1 2.736 0.030 . 2 . . . . 85 TYR HB3 . 10046 1 988 . 1 1 85 85 TYR HD1 H 1 6.646 0.030 . 1 . . . . 85 TYR HD1 . 10046 1 989 . 1 1 85 85 TYR HD2 H 1 6.646 0.030 . 1 . . . . 85 TYR HD2 . 10046 1 990 . 1 1 85 85 TYR HE1 H 1 6.533 0.030 . 1 . . . . 85 TYR HE1 . 10046 1 991 . 1 1 85 85 TYR HE2 H 1 6.533 0.030 . 1 . . . . 85 TYR HE2 . 10046 1 992 . 1 1 85 85 TYR C C 13 178.109 0.300 . 1 . . . . 85 TYR C . 10046 1 993 . 1 1 85 85 TYR CA C 13 61.752 0.300 . 1 . . . . 85 TYR CA . 10046 1 994 . 1 1 85 85 TYR CB C 13 38.821 0.300 . 1 . . . . 85 TYR CB . 10046 1 995 . 1 1 85 85 TYR CD1 C 13 132.666 0.300 . 1 . . . . 85 TYR CD1 . 10046 1 996 . 1 1 85 85 TYR CD2 C 13 132.666 0.300 . 1 . . . . 85 TYR CD2 . 10046 1 997 . 1 1 85 85 TYR CE1 C 13 118.097 0.300 . 1 . . . . 85 TYR CE1 . 10046 1 998 . 1 1 85 85 TYR CE2 C 13 118.097 0.300 . 1 . . . . 85 TYR CE2 . 10046 1 999 . 1 1 85 85 TYR N N 15 122.850 0.300 . 1 . . . . 85 TYR N . 10046 1 1000 . 1 1 86 86 TYR H H 1 9.106 0.030 . 1 . . . . 86 TYR H . 10046 1 1001 . 1 1 86 86 TYR HA H 1 4.040 0.030 . 1 . . . . 86 TYR HA . 10046 1 1002 . 1 1 86 86 TYR HB2 H 1 3.045 0.030 . 2 . . . . 86 TYR HB2 . 10046 1 1003 . 1 1 86 86 TYR HB3 H 1 3.014 0.030 . 2 . . . . 86 TYR HB3 . 10046 1 1004 . 1 1 86 86 TYR HD1 H 1 7.120 0.030 . 1 . . . . 86 TYR HD1 . 10046 1 1005 . 1 1 86 86 TYR HD2 H 1 7.120 0.030 . 1 . . . . 86 TYR HD2 . 10046 1 1006 . 1 1 86 86 TYR HE1 H 1 6.771 0.030 . 1 . . . . 86 TYR HE1 . 10046 1 1007 . 1 1 86 86 TYR HE2 H 1 6.771 0.030 . 1 . . . . 86 TYR HE2 . 10046 1 1008 . 1 1 86 86 TYR C C 13 178.318 0.300 . 1 . . . . 86 TYR C . 10046 1 1009 . 1 1 86 86 TYR CA C 13 61.410 0.300 . 1 . . . . 86 TYR CA . 10046 1 1010 . 1 1 86 86 TYR CB C 13 36.947 0.300 . 1 . . . . 86 TYR CB . 10046 1 1011 . 1 1 86 86 TYR CD1 C 13 132.726 0.300 . 1 . . . . 86 TYR CD1 . 10046 1 1012 . 1 1 86 86 TYR CD2 C 13 132.726 0.300 . 1 . . . . 86 TYR CD2 . 10046 1 1013 . 1 1 86 86 TYR CE1 C 13 117.715 0.300 . 1 . . . . 86 TYR CE1 . 10046 1 1014 . 1 1 86 86 TYR CE2 C 13 117.715 0.300 . 1 . . . . 86 TYR CE2 . 10046 1 1015 . 1 1 86 86 TYR N N 15 117.517 0.300 . 1 . . . . 86 TYR N . 10046 1 1016 . 1 1 87 87 SER H H 1 7.919 0.030 . 1 . . . . 87 SER H . 10046 1 1017 . 1 1 87 87 SER HA H 1 4.288 0.030 . 1 . . . . 87 SER HA . 10046 1 1018 . 1 1 87 87 SER HB2 H 1 4.063 0.030 . 1 . . . . 87 SER HB2 . 10046 1 1019 . 1 1 87 87 SER HB3 H 1 4.063 0.030 . 1 . . . . 87 SER HB3 . 10046 1 1020 . 1 1 87 87 SER C C 13 176.405 0.300 . 1 . . . . 87 SER C . 10046 1 1021 . 1 1 87 87 SER CA C 13 61.979 0.300 . 1 . . . . 87 SER CA . 10046 1 1022 . 1 1 87 87 SER CB C 13 62.861 0.300 . 1 . . . . 87 SER CB . 10046 1 1023 . 1 1 87 87 SER N N 15 114.889 0.300 . 1 . . . . 87 SER N . 10046 1 1024 . 1 1 88 88 THR H H 1 7.686 0.030 . 1 . . . . 88 THR H . 10046 1 1025 . 1 1 88 88 THR HA H 1 4.112 0.030 . 1 . . . . 88 THR HA . 10046 1 1026 . 1 1 88 88 THR HB H 1 4.083 0.030 . 1 . . . . 88 THR HB . 10046 1 1027 . 1 1 88 88 THR HG21 H 1 1.046 0.030 . 1 . . . . 88 THR HG2 . 10046 1 1028 . 1 1 88 88 THR HG22 H 1 1.046 0.030 . 1 . . . . 88 THR HG2 . 10046 1 1029 . 1 1 88 88 THR HG23 H 1 1.046 0.030 . 1 . . . . 88 THR HG2 . 10046 1 1030 . 1 1 88 88 THR C C 13 176.214 0.300 . 1 . . . . 88 THR C . 10046 1 1031 . 1 1 88 88 THR CA C 13 65.254 0.300 . 1 . . . . 88 THR CA . 10046 1 1032 . 1 1 88 88 THR CB C 13 69.022 0.300 . 1 . . . . 88 THR CB . 10046 1 1033 . 1 1 88 88 THR CG2 C 13 21.508 0.300 . 1 . . . . 88 THR CG2 . 10046 1 1034 . 1 1 88 88 THR N N 15 117.077 0.300 . 1 . . . . 88 THR N . 10046 1 1035 . 1 1 89 89 VAL H H 1 7.759 0.030 . 1 . . . . 89 VAL H . 10046 1 1036 . 1 1 89 89 VAL HA H 1 3.789 0.030 . 1 . . . . 89 VAL HA . 10046 1 1037 . 1 1 89 89 VAL HB H 1 1.920 0.030 . 1 . . . . 89 VAL HB . 10046 1 1038 . 1 1 89 89 VAL HG11 H 1 0.752 0.030 . 1 . . . . 89 VAL HG1 . 10046 1 1039 . 1 1 89 89 VAL HG12 H 1 0.752 0.030 . 1 . . . . 89 VAL HG1 . 10046 1 1040 . 1 1 89 89 VAL HG13 H 1 0.752 0.030 . 1 . . . . 89 VAL HG1 . 10046 1 1041 . 1 1 89 89 VAL HG21 H 1 0.506 0.030 . 1 . . . . 89 VAL HG2 . 10046 1 1042 . 1 1 89 89 VAL HG22 H 1 0.506 0.030 . 1 . . . . 89 VAL HG2 . 10046 1 1043 . 1 1 89 89 VAL HG23 H 1 0.506 0.030 . 1 . . . . 89 VAL HG2 . 10046 1 1044 . 1 1 89 89 VAL C C 13 177.887 0.300 . 1 . . . . 89 VAL C . 10046 1 1045 . 1 1 89 89 VAL CA C 13 65.112 0.300 . 1 . . . . 89 VAL CA . 10046 1 1046 . 1 1 89 89 VAL CB C 13 31.845 0.300 . 1 . . . . 89 VAL CB . 10046 1 1047 . 1 1 89 89 VAL CG1 C 13 21.264 0.300 . 1 . . . . 89 VAL CG1 . 10046 1 1048 . 1 1 89 89 VAL CG2 C 13 21.264 0.300 . 1 . . . . 89 VAL CG2 . 10046 1 1049 . 1 1 89 89 VAL N N 15 120.816 0.300 . 1 . . . . 89 VAL N . 10046 1 1050 . 1 1 90 90 MET H H 1 7.718 0.030 . 1 . . . . 90 MET H . 10046 1 1051 . 1 1 90 90 MET HA H 1 4.172 0.030 . 1 . . . . 90 MET HA . 10046 1 1052 . 1 1 90 90 MET HB2 H 1 2.118 0.030 . 1 . . . . 90 MET HB2 . 10046 1 1053 . 1 1 90 90 MET HB3 H 1 2.118 0.030 . 1 . . . . 90 MET HB3 . 10046 1 1054 . 1 1 90 90 MET HG2 H 1 2.546 0.030 . 2 . . . . 90 MET HG2 . 10046 1 1055 . 1 1 90 90 MET HG3 H 1 2.476 0.030 . 2 . . . . 90 MET HG3 . 10046 1 1056 . 1 1 90 90 MET C C 13 178.158 0.300 . 1 . . . . 90 MET C . 10046 1 1057 . 1 1 90 90 MET CA C 13 58.449 0.300 . 1 . . . . 90 MET CA . 10046 1 1058 . 1 1 90 90 MET CB C 13 32.166 0.300 . 1 . . . . 90 MET CB . 10046 1 1059 . 1 1 90 90 MET CG C 13 32.236 0.300 . 1 . . . . 90 MET CG . 10046 1 1060 . 1 1 90 90 MET N N 15 118.649 0.300 . 1 . . . . 90 MET N . 10046 1 1061 . 1 1 91 91 GLU H H 1 7.670 0.030 . 1 . . . . 91 GLU H . 10046 1 1062 . 1 1 91 91 GLU HA H 1 4.071 0.030 . 1 . . . . 91 GLU HA . 10046 1 1063 . 1 1 91 91 GLU HB2 H 1 2.068 0.030 . 1 . . . . 91 GLU HB2 . 10046 1 1064 . 1 1 91 91 GLU HB3 H 1 2.068 0.030 . 1 . . . . 91 GLU HB3 . 10046 1 1065 . 1 1 91 91 GLU HG2 H 1 2.312 0.030 . 2 . . . . 91 GLU HG2 . 10046 1 1066 . 1 1 91 91 GLU HG3 H 1 2.257 0.030 . 2 . . . . 91 GLU HG3 . 10046 1 1067 . 1 1 91 91 GLU C C 13 178.362 0.300 . 1 . . . . 91 GLU C . 10046 1 1068 . 1 1 91 91 GLU CA C 13 58.847 0.300 . 1 . . . . 91 GLU CA . 10046 1 1069 . 1 1 91 91 GLU CB C 13 29.631 0.300 . 1 . . . . 91 GLU CB . 10046 1 1070 . 1 1 91 91 GLU CG C 13 36.095 0.300 . 1 . . . . 91 GLU CG . 10046 1 1071 . 1 1 91 91 GLU N N 15 118.436 0.300 . 1 . . . . 91 GLU N . 10046 1 1072 . 1 1 92 92 GLN H H 1 7.911 0.030 . 1 . . . . 92 GLN H . 10046 1 1073 . 1 1 92 92 GLN HA H 1 4.123 0.030 . 1 . . . . 92 GLN HA . 10046 1 1074 . 1 1 92 92 GLN HB2 H 1 2.143 0.030 . 2 . . . . 92 GLN HB2 . 10046 1 1075 . 1 1 92 92 GLN HB3 H 1 1.928 0.030 . 2 . . . . 92 GLN HB3 . 10046 1 1076 . 1 1 92 92 GLN HG2 H 1 2.498 0.030 . 2 . . . . 92 GLN HG2 . 10046 1 1077 . 1 1 92 92 GLN HG3 H 1 2.353 0.030 . 2 . . . . 92 GLN HG3 . 10046 1 1078 . 1 1 92 92 GLN HE21 H 1 7.242 0.030 . 2 . . . . 92 GLN HE21 . 10046 1 1079 . 1 1 92 92 GLN HE22 H 1 6.577 0.030 . 2 . . . . 92 GLN HE22 . 10046 1 1080 . 1 1 92 92 GLN C C 13 177.995 0.300 . 1 . . . . 92 GLN C . 10046 1 1081 . 1 1 92 92 GLN CA C 13 58.306 0.300 . 1 . . . . 92 GLN CA . 10046 1 1082 . 1 1 92 92 GLN CB C 13 28.414 0.300 . 1 . . . . 92 GLN CB . 10046 1 1083 . 1 1 92 92 GLN CG C 13 34.334 0.300 . 1 . . . . 92 GLN CG . 10046 1 1084 . 1 1 92 92 GLN N N 15 118.273 0.300 . 1 . . . . 92 GLN N . 10046 1 1085 . 1 1 92 92 GLN NE2 N 15 109.681 0.300 . 1 . . . . 92 GLN NE2 . 10046 1 1086 . 1 1 93 93 GLN H H 1 8.311 0.030 . 1 . . . . 93 GLN H . 10046 1 1087 . 1 1 93 93 GLN HA H 1 4.177 0.030 . 1 . . . . 93 GLN HA . 10046 1 1088 . 1 1 93 93 GLN HB2 H 1 2.187 0.030 . 2 . . . . 93 GLN HB2 . 10046 1 1089 . 1 1 93 93 GLN HB3 H 1 2.128 0.030 . 2 . . . . 93 GLN HB3 . 10046 1 1090 . 1 1 93 93 GLN HG2 H 1 2.461 0.030 . 2 . . . . 93 GLN HG2 . 10046 1 1091 . 1 1 93 93 GLN HG3 H 1 2.338 0.030 . 2 . . . . 93 GLN HG3 . 10046 1 1092 . 1 1 93 93 GLN HE21 H 1 7.288 0.030 . 2 . . . . 93 GLN HE21 . 10046 1 1093 . 1 1 93 93 GLN HE22 H 1 6.785 0.030 . 2 . . . . 93 GLN HE22 . 10046 1 1094 . 1 1 93 93 GLN C C 13 179.274 0.300 . 1 . . . . 93 GLN C . 10046 1 1095 . 1 1 93 93 GLN CA C 13 58.443 0.300 . 1 . . . . 93 GLN CA . 10046 1 1096 . 1 1 93 93 GLN CB C 13 28.909 0.300 . 1 . . . . 93 GLN CB . 10046 1 1097 . 1 1 93 93 GLN CG C 13 34.262 0.300 . 1 . . . . 93 GLN CG . 10046 1 1098 . 1 1 93 93 GLN N N 15 119.001 0.300 . 1 . . . . 93 GLN N . 10046 1 1099 . 1 1 93 93 GLN NE2 N 15 110.799 0.300 . 1 . . . . 93 GLN NE2 . 10046 1 1100 . 1 1 94 94 VAL H H 1 8.135 0.030 . 1 . . . . 94 VAL H . 10046 1 1101 . 1 1 94 94 VAL HA H 1 3.913 0.030 . 1 . . . . 94 VAL HA . 10046 1 1102 . 1 1 94 94 VAL HB H 1 2.167 0.030 . 1 . . . . 94 VAL HB . 10046 1 1103 . 1 1 94 94 VAL HG11 H 1 1.039 0.030 . 1 . . . . 94 VAL HG1 . 10046 1 1104 . 1 1 94 94 VAL HG12 H 1 1.039 0.030 . 1 . . . . 94 VAL HG1 . 10046 1 1105 . 1 1 94 94 VAL HG13 H 1 1.039 0.030 . 1 . . . . 94 VAL HG1 . 10046 1 1106 . 1 1 94 94 VAL HG21 H 1 0.959 0.030 . 1 . . . . 94 VAL HG2 . 10046 1 1107 . 1 1 94 94 VAL HG22 H 1 0.959 0.030 . 1 . . . . 94 VAL HG2 . 10046 1 1108 . 1 1 94 94 VAL HG23 H 1 0.959 0.030 . 1 . . . . 94 VAL HG2 . 10046 1 1109 . 1 1 94 94 VAL C C 13 177.045 0.300 . 1 . . . . 94 VAL C . 10046 1 1110 . 1 1 94 94 VAL CA C 13 64.617 0.300 . 1 . . . . 94 VAL CA . 10046 1 1111 . 1 1 94 94 VAL CB C 13 32.101 0.300 . 1 . . . . 94 VAL CB . 10046 1 1112 . 1 1 94 94 VAL CG1 C 13 21.839 0.300 . 2 . . . . 94 VAL CG1 . 10046 1 1113 . 1 1 94 94 VAL CG2 C 13 21.153 0.300 . 2 . . . . 94 VAL CG2 . 10046 1 1114 . 1 1 94 94 VAL N N 15 120.084 0.300 . 1 . . . . 94 VAL N . 10046 1 1115 . 1 1 95 95 ASN H H 1 7.856 0.030 . 1 . . . . 95 ASN H . 10046 1 1116 . 1 1 95 95 ASN HA H 1 4.757 0.030 . 1 . . . . 95 ASN HA . 10046 1 1117 . 1 1 95 95 ASN HB2 H 1 2.944 0.030 . 2 . . . . 95 ASN HB2 . 10046 1 1118 . 1 1 95 95 ASN HB3 H 1 2.785 0.030 . 2 . . . . 95 ASN HB3 . 10046 1 1119 . 1 1 95 95 ASN HD21 H 1 7.629 0.030 . 2 . . . . 95 ASN HD21 . 10046 1 1120 . 1 1 95 95 ASN HD22 H 1 7.004 0.030 . 2 . . . . 95 ASN HD22 . 10046 1 1121 . 1 1 95 95 ASN C C 13 175.773 0.300 . 1 . . . . 95 ASN C . 10046 1 1122 . 1 1 95 95 ASN CA C 13 53.694 0.300 . 1 . . . . 95 ASN CA . 10046 1 1123 . 1 1 95 95 ASN CB C 13 39.209 0.300 . 1 . . . . 95 ASN CB . 10046 1 1124 . 1 1 95 95 ASN N N 15 117.547 0.300 . 1 . . . . 95 ASN N . 10046 1 1125 . 1 1 95 95 ASN ND2 N 15 113.777 0.300 . 1 . . . . 95 ASN ND2 . 10046 1 1126 . 1 1 96 96 GLY H H 1 8.090 0.030 . 1 . . . . 96 GLY H . 10046 1 1127 . 1 1 96 96 GLY HA2 H 1 4.002 0.030 . 2 . . . . 96 GLY HA2 . 10046 1 1128 . 1 1 96 96 GLY HA3 H 1 3.884 0.030 . 2 . . . . 96 GLY HA3 . 10046 1 1129 . 1 1 96 96 GLY C C 13 174.590 0.300 . 1 . . . . 96 GLY C . 10046 1 1130 . 1 1 96 96 GLY CA C 13 46.462 0.300 . 1 . . . . 96 GLY CA . 10046 1 1131 . 1 1 96 96 GLY N N 15 109.750 0.300 . 1 . . . . 96 GLY N . 10046 1 1132 . 1 1 97 97 GLN H H 1 8.117 0.030 . 1 . . . . 97 GLN H . 10046 1 1133 . 1 1 97 97 GLN HA H 1 4.368 0.030 . 1 . . . . 97 GLN HA . 10046 1 1134 . 1 1 97 97 GLN HB2 H 1 2.152 0.030 . 2 . . . . 97 GLN HB2 . 10046 1 1135 . 1 1 97 97 GLN HB3 H 1 1.869 0.030 . 2 . . . . 97 GLN HB3 . 10046 1 1136 . 1 1 97 97 GLN HG2 H 1 2.316 0.030 . 1 . . . . 97 GLN HG2 . 10046 1 1137 . 1 1 97 97 GLN HG3 H 1 2.316 0.030 . 1 . . . . 97 GLN HG3 . 10046 1 1138 . 1 1 97 97 GLN C C 13 175.248 0.300 . 1 . . . . 97 GLN C . 10046 1 1139 . 1 1 97 97 GLN CA C 13 54.575 0.300 . 1 . . . . 97 GLN CA . 10046 1 1140 . 1 1 97 97 GLN CB C 13 30.422 0.300 . 1 . . . . 97 GLN CB . 10046 1 1141 . 1 1 97 97 GLN CG C 13 34.039 0.300 . 1 . . . . 97 GLN CG . 10046 1 1142 . 1 1 97 97 GLN N N 15 118.945 0.300 . 1 . . . . 97 GLN N . 10046 1 1143 . 1 1 98 98 LEU H H 1 8.106 0.030 . 1 . . . . 98 LEU H . 10046 1 1144 . 1 1 98 98 LEU HA H 1 4.196 0.030 . 1 . . . . 98 LEU HA . 10046 1 1145 . 1 1 98 98 LEU HB2 H 1 1.591 0.030 . 2 . . . . 98 LEU HB2 . 10046 1 1146 . 1 1 98 98 LEU HB3 H 1 1.498 0.030 . 2 . . . . 98 LEU HB3 . 10046 1 1147 . 1 1 98 98 LEU HG H 1 1.606 0.030 . 1 . . . . 98 LEU HG . 10046 1 1148 . 1 1 98 98 LEU HD11 H 1 0.907 0.030 . 1 . . . . 98 LEU HD1 . 10046 1 1149 . 1 1 98 98 LEU HD12 H 1 0.907 0.030 . 1 . . . . 98 LEU HD1 . 10046 1 1150 . 1 1 98 98 LEU HD13 H 1 0.907 0.030 . 1 . . . . 98 LEU HD1 . 10046 1 1151 . 1 1 98 98 LEU HD21 H 1 0.849 0.030 . 1 . . . . 98 LEU HD2 . 10046 1 1152 . 1 1 98 98 LEU HD22 H 1 0.849 0.030 . 1 . . . . 98 LEU HD2 . 10046 1 1153 . 1 1 98 98 LEU HD23 H 1 0.849 0.030 . 1 . . . . 98 LEU HD2 . 10046 1 1154 . 1 1 98 98 LEU C C 13 176.794 0.300 . 1 . . . . 98 LEU C . 10046 1 1155 . 1 1 98 98 LEU CA C 13 55.345 0.300 . 1 . . . . 98 LEU CA . 10046 1 1156 . 1 1 98 98 LEU CB C 13 42.052 0.300 . 1 . . . . 98 LEU CB . 10046 1 1157 . 1 1 98 98 LEU CG C 13 26.974 0.300 . 1 . . . . 98 LEU CG . 10046 1 1158 . 1 1 98 98 LEU CD1 C 13 24.973 0.300 . 2 . . . . 98 LEU CD1 . 10046 1 1159 . 1 1 98 98 LEU CD2 C 13 23.899 0.300 . 2 . . . . 98 LEU CD2 . 10046 1 1160 . 1 1 98 98 LEU N N 15 121.733 0.300 . 1 . . . . 98 LEU N . 10046 1 1161 . 1 1 99 99 ILE H H 1 8.103 0.030 . 1 . . . . 99 ILE H . 10046 1 1162 . 1 1 99 99 ILE HA H 1 4.189 0.030 . 1 . . . . 99 ILE HA . 10046 1 1163 . 1 1 99 99 ILE HB H 1 1.799 0.030 . 1 . . . . 99 ILE HB . 10046 1 1164 . 1 1 99 99 ILE HG12 H 1 1.489 0.030 . 2 . . . . 99 ILE HG12 . 10046 1 1165 . 1 1 99 99 ILE HG13 H 1 1.228 0.030 . 2 . . . . 99 ILE HG13 . 10046 1 1166 . 1 1 99 99 ILE HG21 H 1 0.868 0.030 . 1 . . . . 99 ILE HG2 . 10046 1 1167 . 1 1 99 99 ILE HG22 H 1 0.868 0.030 . 1 . . . . 99 ILE HG2 . 10046 1 1168 . 1 1 99 99 ILE HG23 H 1 0.868 0.030 . 1 . . . . 99 ILE HG2 . 10046 1 1169 . 1 1 99 99 ILE HD11 H 1 0.821 0.030 . 1 . . . . 99 ILE HD1 . 10046 1 1170 . 1 1 99 99 ILE HD12 H 1 0.821 0.030 . 1 . . . . 99 ILE HD1 . 10046 1 1171 . 1 1 99 99 ILE HD13 H 1 0.821 0.030 . 1 . . . . 99 ILE HD1 . 10046 1 1172 . 1 1 99 99 ILE C C 13 176.777 0.300 . 1 . . . . 99 ILE C . 10046 1 1173 . 1 1 99 99 ILE CA C 13 60.261 0.300 . 1 . . . . 99 ILE CA . 10046 1 1174 . 1 1 99 99 ILE CB C 13 38.304 0.300 . 1 . . . . 99 ILE CB . 10046 1 1175 . 1 1 99 99 ILE CG1 C 13 27.296 0.300 . 1 . . . . 99 ILE CG1 . 10046 1 1176 . 1 1 99 99 ILE CG2 C 13 18.494 0.300 . 1 . . . . 99 ILE CG2 . 10046 1 1177 . 1 1 99 99 ILE CD1 C 13 13.281 0.300 . 1 . . . . 99 ILE CD1 . 10046 1 1178 . 1 1 99 99 ILE N N 15 122.420 0.300 . 1 . . . . 99 ILE N . 10046 1 1179 . 1 1 100 100 GLU H H 1 8.517 0.030 . 1 . . . . 100 GLU H . 10046 1 1180 . 1 1 100 100 GLU HA H 1 4.590 0.030 . 1 . . . . 100 GLU HA . 10046 1 1181 . 1 1 100 100 GLU HB2 H 1 2.163 0.030 . 2 . . . . 100 GLU HB2 . 10046 1 1182 . 1 1 100 100 GLU HB3 H 1 1.955 0.030 . 2 . . . . 100 GLU HB3 . 10046 1 1183 . 1 1 100 100 GLU HG2 H 1 2.402 0.030 . 2 . . . . 100 GLU HG2 . 10046 1 1184 . 1 1 100 100 GLU HG3 H 1 2.278 0.030 . 2 . . . . 100 GLU HG3 . 10046 1 1185 . 1 1 100 100 GLU C C 13 176.777 0.300 . 1 . . . . 100 GLU C . 10046 1 1186 . 1 1 100 100 GLU CA C 13 54.347 0.300 . 1 . . . . 100 GLU CA . 10046 1 1187 . 1 1 100 100 GLU CB C 13 29.986 0.300 . 1 . . . . 100 GLU CB . 10046 1 1188 . 1 1 100 100 GLU CG C 13 35.998 0.300 . 1 . . . . 100 GLU CG . 10046 1 1189 . 1 1 100 100 GLU N N 15 129.308 0.300 . 1 . . . . 100 GLU N . 10046 1 1190 . 1 1 101 101 PRO HA H 1 4.420 0.030 . 1 . . . . 101 PRO HA . 10046 1 1191 . 1 1 101 101 PRO HB2 H 1 1.905 0.030 . 2 . . . . 101 PRO HB2 . 10046 1 1192 . 1 1 101 101 PRO HB3 H 1 1.436 0.030 . 2 . . . . 101 PRO HB3 . 10046 1 1193 . 1 1 101 101 PRO HG2 H 1 1.730 0.030 . 1 . . . . 101 PRO HG2 . 10046 1 1194 . 1 1 101 101 PRO HG3 H 1 1.730 0.030 . 1 . . . . 101 PRO HG3 . 10046 1 1195 . 1 1 101 101 PRO HD2 H 1 3.808 0.030 . 2 . . . . 101 PRO HD2 . 10046 1 1196 . 1 1 101 101 PRO HD3 H 1 3.659 0.030 . 2 . . . . 101 PRO HD3 . 10046 1 1197 . 1 1 101 101 PRO C C 13 174.840 0.300 . 1 . . . . 101 PRO C . 10046 1 1198 . 1 1 101 101 PRO CA C 13 62.775 0.300 . 1 . . . . 101 PRO CA . 10046 1 1199 . 1 1 101 101 PRO CB C 13 33.794 0.300 . 1 . . . . 101 PRO CB . 10046 1 1200 . 1 1 101 101 PRO CG C 13 26.787 0.300 . 1 . . . . 101 PRO CG . 10046 1 1201 . 1 1 101 101 PRO CD C 13 50.983 0.300 . 1 . . . . 101 PRO CD . 10046 1 1202 . 1 1 102 102 LEU H H 1 7.901 0.030 . 1 . . . . 102 LEU H . 10046 1 1203 . 1 1 102 102 LEU HA H 1 4.087 0.030 . 1 . . . . 102 LEU HA . 10046 1 1204 . 1 1 102 102 LEU HB2 H 1 1.261 0.030 . 2 . . . . 102 LEU HB2 . 10046 1 1205 . 1 1 102 102 LEU HB3 H 1 -0.145 0.030 . 2 . . . . 102 LEU HB3 . 10046 1 1206 . 1 1 102 102 LEU HG H 1 1.183 0.030 . 1 . . . . 102 LEU HG . 10046 1 1207 . 1 1 102 102 LEU HD11 H 1 0.707 0.030 . 1 . . . . 102 LEU HD1 . 10046 1 1208 . 1 1 102 102 LEU HD12 H 1 0.707 0.030 . 1 . . . . 102 LEU HD1 . 10046 1 1209 . 1 1 102 102 LEU HD13 H 1 0.707 0.030 . 1 . . . . 102 LEU HD1 . 10046 1 1210 . 1 1 102 102 LEU HD21 H 1 0.436 0.030 . 1 . . . . 102 LEU HD2 . 10046 1 1211 . 1 1 102 102 LEU HD22 H 1 0.436 0.030 . 1 . . . . 102 LEU HD2 . 10046 1 1212 . 1 1 102 102 LEU HD23 H 1 0.436 0.030 . 1 . . . . 102 LEU HD2 . 10046 1 1213 . 1 1 102 102 LEU C C 13 174.844 0.300 . 1 . . . . 102 LEU C . 10046 1 1214 . 1 1 102 102 LEU CA C 13 54.861 0.300 . 1 . . . . 102 LEU CA . 10046 1 1215 . 1 1 102 102 LEU CB C 13 40.889 0.300 . 1 . . . . 102 LEU CB . 10046 1 1216 . 1 1 102 102 LEU CG C 13 27.223 0.300 . 1 . . . . 102 LEU CG . 10046 1 1217 . 1 1 102 102 LEU CD1 C 13 22.287 0.300 . 2 . . . . 102 LEU CD1 . 10046 1 1218 . 1 1 102 102 LEU CD2 C 13 24.997 0.300 . 2 . . . . 102 LEU CD2 . 10046 1 1219 . 1 1 102 102 LEU N N 15 124.902 0.300 . 1 . . . . 102 LEU N . 10046 1 1220 . 1 1 103 103 GLN H H 1 8.641 0.030 . 1 . . . . 103 GLN H . 10046 1 1221 . 1 1 103 103 GLN HA H 1 5.129 0.030 . 1 . . . . 103 GLN HA . 10046 1 1222 . 1 1 103 103 GLN HB2 H 1 1.964 0.030 . 2 . . . . 103 GLN HB2 . 10046 1 1223 . 1 1 103 103 GLN HB3 H 1 1.900 0.030 . 2 . . . . 103 GLN HB3 . 10046 1 1224 . 1 1 103 103 GLN HG2 H 1 2.146 0.030 . 2 . . . . 103 GLN HG2 . 10046 1 1225 . 1 1 103 103 GLN HG3 H 1 1.656 0.030 . 2 . . . . 103 GLN HG3 . 10046 1 1226 . 1 1 103 103 GLN HE21 H 1 7.608 0.030 . 2 . . . . 103 GLN HE21 . 10046 1 1227 . 1 1 103 103 GLN HE22 H 1 6.874 0.030 . 2 . . . . 103 GLN HE22 . 10046 1 1228 . 1 1 103 103 GLN C C 13 174.810 0.300 . 1 . . . . 103 GLN C . 10046 1 1229 . 1 1 103 103 GLN CA C 13 55.515 0.300 . 1 . . . . 103 GLN CA . 10046 1 1230 . 1 1 103 103 GLN CB C 13 30.277 0.300 . 1 . . . . 103 GLN CB . 10046 1 1231 . 1 1 103 103 GLN CG C 13 35.880 0.300 . 1 . . . . 103 GLN CG . 10046 1 1232 . 1 1 103 103 GLN N N 15 129.420 0.300 . 1 . . . . 103 GLN N . 10046 1 1233 . 1 1 103 103 GLN NE2 N 15 110.762 0.300 . 1 . . . . 103 GLN NE2 . 10046 1 1234 . 1 1 104 104 ILE H H 1 8.572 0.030 . 1 . . . . 104 ILE H . 10046 1 1235 . 1 1 104 104 ILE HA H 1 5.426 0.030 . 1 . . . . 104 ILE HA . 10046 1 1236 . 1 1 104 104 ILE HB H 1 1.692 0.030 . 1 . . . . 104 ILE HB . 10046 1 1237 . 1 1 104 104 ILE HG12 H 1 0.992 0.030 . 2 . . . . 104 ILE HG12 . 10046 1 1238 . 1 1 104 104 ILE HG13 H 1 0.767 0.030 . 2 . . . . 104 ILE HG13 . 10046 1 1239 . 1 1 104 104 ILE HG21 H 1 0.620 0.030 . 1 . . . . 104 ILE HG2 . 10046 1 1240 . 1 1 104 104 ILE HG22 H 1 0.620 0.030 . 1 . . . . 104 ILE HG2 . 10046 1 1241 . 1 1 104 104 ILE HG23 H 1 0.620 0.030 . 1 . . . . 104 ILE HG2 . 10046 1 1242 . 1 1 104 104 ILE HD11 H 1 0.063 0.030 . 1 . . . . 104 ILE HD1 . 10046 1 1243 . 1 1 104 104 ILE HD12 H 1 0.063 0.030 . 1 . . . . 104 ILE HD1 . 10046 1 1244 . 1 1 104 104 ILE HD13 H 1 0.063 0.030 . 1 . . . . 104 ILE HD1 . 10046 1 1245 . 1 1 104 104 ILE C C 13 174.331 0.300 . 1 . . . . 104 ILE C . 10046 1 1246 . 1 1 104 104 ILE CA C 13 58.392 0.300 . 1 . . . . 104 ILE CA . 10046 1 1247 . 1 1 104 104 ILE CB C 13 42.052 0.300 . 1 . . . . 104 ILE CB . 10046 1 1248 . 1 1 104 104 ILE CG1 C 13 26.049 0.300 . 1 . . . . 104 ILE CG1 . 10046 1 1249 . 1 1 104 104 ILE CG2 C 13 17.605 0.300 . 1 . . . . 104 ILE CG2 . 10046 1 1250 . 1 1 104 104 ILE CD1 C 13 13.651 0.300 . 1 . . . . 104 ILE CD1 . 10046 1 1251 . 1 1 104 104 ILE N N 15 117.966 0.300 . 1 . . . . 104 ILE N . 10046 1 1252 . 1 1 105 105 PHE H H 1 9.292 0.030 . 1 . . . . 105 PHE H . 10046 1 1253 . 1 1 105 105 PHE HA H 1 5.271 0.030 . 1 . . . . 105 PHE HA . 10046 1 1254 . 1 1 105 105 PHE HB2 H 1 3.141 0.030 . 2 . . . . 105 PHE HB2 . 10046 1 1255 . 1 1 105 105 PHE HB3 H 1 2.982 0.030 . 2 . . . . 105 PHE HB3 . 10046 1 1256 . 1 1 105 105 PHE HD1 H 1 7.238 0.030 . 1 . . . . 105 PHE HD1 . 10046 1 1257 . 1 1 105 105 PHE HD2 H 1 7.238 0.030 . 1 . . . . 105 PHE HD2 . 10046 1 1258 . 1 1 105 105 PHE HE1 H 1 7.203 0.030 . 1 . . . . 105 PHE HE1 . 10046 1 1259 . 1 1 105 105 PHE HE2 H 1 7.203 0.030 . 1 . . . . 105 PHE HE2 . 10046 1 1260 . 1 1 105 105 PHE HZ H 1 7.216 0.030 . 1 . . . . 105 PHE HZ . 10046 1 1261 . 1 1 105 105 PHE C C 13 174.331 0.300 . 1 . . . . 105 PHE C . 10046 1 1262 . 1 1 105 105 PHE CA C 13 54.038 0.300 . 1 . . . . 105 PHE CA . 10046 1 1263 . 1 1 105 105 PHE CB C 13 40.253 0.300 . 1 . . . . 105 PHE CB . 10046 1 1264 . 1 1 105 105 PHE CD1 C 13 132.499 0.300 . 1 . . . . 105 PHE CD1 . 10046 1 1265 . 1 1 105 105 PHE CD2 C 13 132.499 0.300 . 1 . . . . 105 PHE CD2 . 10046 1 1266 . 1 1 105 105 PHE CE1 C 13 130.800 0.300 . 1 . . . . 105 PHE CE1 . 10046 1 1267 . 1 1 105 105 PHE CE2 C 13 130.800 0.300 . 1 . . . . 105 PHE CE2 . 10046 1 1268 . 1 1 105 105 PHE CZ C 13 129.906 0.300 . 1 . . . . 105 PHE CZ . 10046 1 1269 . 1 1 105 105 PHE N N 15 119.997 0.300 . 1 . . . . 105 PHE N . 10046 1 1270 . 1 1 106 106 PRO HA H 1 4.414 0.030 . 1 . . . . 106 PRO HA . 10046 1 1271 . 1 1 106 106 PRO HB2 H 1 2.326 0.030 . 2 . . . . 106 PRO HB2 . 10046 1 1272 . 1 1 106 106 PRO HB3 H 1 2.050 0.030 . 2 . . . . 106 PRO HB3 . 10046 1 1273 . 1 1 106 106 PRO HG2 H 1 2.036 0.030 . 2 . . . . 106 PRO HG2 . 10046 1 1274 . 1 1 106 106 PRO HG3 H 1 1.613 0.030 . 2 . . . . 106 PRO HG3 . 10046 1 1275 . 1 1 106 106 PRO HD2 H 1 4.088 0.030 . 2 . . . . 106 PRO HD2 . 10046 1 1276 . 1 1 106 106 PRO HD3 H 1 3.921 0.030 . 2 . . . . 106 PRO HD3 . 10046 1 1277 . 1 1 106 106 PRO C C 13 175.246 0.300 . 1 . . . . 106 PRO C . 10046 1 1278 . 1 1 106 106 PRO CA C 13 63.489 0.300 . 1 . . . . 106 PRO CA . 10046 1 1279 . 1 1 106 106 PRO CB C 13 32.962 0.300 . 1 . . . . 106 PRO CB . 10046 1 1280 . 1 1 106 106 PRO CG C 13 28.378 0.300 . 1 . . . . 106 PRO CG . 10046 1 1281 . 1 1 106 106 PRO CD C 13 51.532 0.300 . 1 . . . . 106 PRO CD . 10046 1 1282 . 1 1 107 107 ARG H H 1 8.504 0.030 . 1 . . . . 107 ARG H . 10046 1 1283 . 1 1 107 107 ARG HA H 1 4.757 0.030 . 1 . . . . 107 ARG HA . 10046 1 1284 . 1 1 107 107 ARG HB2 H 1 1.848 0.030 . 2 . . . . 107 ARG HB2 . 10046 1 1285 . 1 1 107 107 ARG HB3 H 1 1.577 0.030 . 2 . . . . 107 ARG HB3 . 10046 1 1286 . 1 1 107 107 ARG HG2 H 1 1.583 0.030 . 1 . . . . 107 ARG HG2 . 10046 1 1287 . 1 1 107 107 ARG HG3 H 1 1.583 0.030 . 1 . . . . 107 ARG HG3 . 10046 1 1288 . 1 1 107 107 ARG HD2 H 1 3.242 0.030 . 2 . . . . 107 ARG HD2 . 10046 1 1289 . 1 1 107 107 ARG HD3 H 1 3.060 0.030 . 2 . . . . 107 ARG HD3 . 10046 1 1290 . 1 1 107 107 ARG C C 13 175.275 0.300 . 1 . . . . 107 ARG C . 10046 1 1291 . 1 1 107 107 ARG CA C 13 55.004 0.300 . 1 . . . . 107 ARG CA . 10046 1 1292 . 1 1 107 107 ARG CB C 13 31.778 0.300 . 1 . . . . 107 ARG CB . 10046 1 1293 . 1 1 107 107 ARG CG C 13 26.944 0.300 . 1 . . . . 107 ARG CG . 10046 1 1294 . 1 1 107 107 ARG CD C 13 43.144 0.300 . 1 . . . . 107 ARG CD . 10046 1 1295 . 1 1 107 107 ARG N N 15 123.569 0.300 . 1 . . . . 107 ARG N . 10046 1 1296 . 1 1 108 108 SER H H 1 8.649 0.030 . 1 . . . . 108 SER H . 10046 1 1297 . 1 1 108 108 SER HA H 1 4.878 0.030 . 1 . . . . 108 SER HA . 10046 1 1298 . 1 1 108 108 SER HB2 H 1 3.890 0.030 . 2 . . . . 108 SER HB2 . 10046 1 1299 . 1 1 108 108 SER HB3 H 1 3.804 0.030 . 2 . . . . 108 SER HB3 . 10046 1 1300 . 1 1 108 108 SER C C 13 174.524 0.300 . 1 . . . . 108 SER C . 10046 1 1301 . 1 1 108 108 SER CA C 13 57.882 0.300 . 1 . . . . 108 SER CA . 10046 1 1302 . 1 1 108 108 SER CB C 13 64.537 0.300 . 1 . . . . 108 SER CB . 10046 1 1303 . 1 1 108 108 SER N N 15 120.014 0.300 . 1 . . . . 108 SER N . 10046 1 1304 . 1 1 109 109 GLY H H 1 8.379 0.030 . 1 . . . . 109 GLY H . 10046 1 1305 . 1 1 109 109 GLY HA2 H 1 4.188 0.030 . 2 . . . . 109 GLY HA2 . 10046 1 1306 . 1 1 109 109 GLY HA3 H 1 4.140 0.030 . 2 . . . . 109 GLY HA3 . 10046 1 1307 . 1 1 109 109 GLY C C 13 174.524 0.300 . 1 . . . . 109 GLY C . 10046 1 1308 . 1 1 109 109 GLY CA C 13 44.747 0.300 . 1 . . . . 109 GLY CA . 10046 1 1309 . 1 1 109 109 GLY N N 15 110.893 0.300 . 1 . . . . 109 GLY N . 10046 1 1310 . 1 1 110 110 PRO HA H 1 4.504 0.030 . 1 . . . . 110 PRO HA . 10046 1 1311 . 1 1 110 110 PRO HB2 H 1 2.298 0.030 . 2 . . . . 110 PRO HB2 . 10046 1 1312 . 1 1 110 110 PRO HB3 H 1 1.988 0.030 . 2 . . . . 110 PRO HB3 . 10046 1 1313 . 1 1 110 110 PRO HG2 H 1 2.015 0.030 . 1 . . . . 110 PRO HG2 . 10046 1 1314 . 1 1 110 110 PRO HG3 H 1 2.015 0.030 . 1 . . . . 110 PRO HG3 . 10046 1 1315 . 1 1 110 110 PRO HD2 H 1 3.630 0.030 . 1 . . . . 110 PRO HD2 . 10046 1 1316 . 1 1 110 110 PRO HD3 H 1 3.630 0.030 . 1 . . . . 110 PRO HD3 . 10046 1 1317 . 1 1 110 110 PRO C C 13 174.524 0.300 . 1 . . . . 110 PRO C . 10046 1 1318 . 1 1 110 110 PRO CA C 13 63.138 0.300 . 1 . . . . 110 PRO CA . 10046 1 1319 . 1 1 110 110 PRO CB C 13 32.320 0.300 . 1 . . . . 110 PRO CB . 10046 1 1320 . 1 1 110 110 PRO CG C 13 27.119 0.300 . 1 . . . . 110 PRO CG . 10046 1 1321 . 1 1 110 110 PRO CD C 13 49.830 0.300 . 1 . . . . 110 PRO CD . 10046 1 1322 . 1 1 111 111 SER C C 13 174.524 0.300 . 1 . . . . 111 SER C . 10046 1 1323 . 1 1 112 112 SER C C 13 174.524 0.300 . 1 . . . . 112 SER C . 10046 1 1324 . 1 1 113 113 GLY C C 13 174.524 0.300 . 1 . . . . 113 GLY C . 10046 1 stop_ save_