data_10149 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10149 _Entry.Title ; Solution structure of the CH domain from human MICAL-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-11 _Entry.Accession_date 2007-12-11 _Entry.Last_release_date 2008-12-11 _Entry.Original_release_date 2008-12-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 T. Tomizawa . . . 10149 2 N. Tochio . . . 10149 3 S. Koshiba . . . 10149 4 S. Watanabe . . . 10149 5 T. Harada . . . 10149 6 T. Kigawa . . . 10149 7 S. Yokoyama . . . 10149 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10149 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10149 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 529 10149 '15N chemical shifts' 123 10149 '1H chemical shifts' 835 10149 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 . . 2008-12-11 2007-12-11 original author . 10149 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E9K 'BMRB Entry Tracking System' 10149 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10149 _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 CH domain from human MICAL-2' _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 T. Tomizawa . . . 10149 1 2 N. Tochio . . . 10149 1 3 S. Koshiba . . . 10149 1 4 S. Watanabe . . . 10149 1 5 T. Harada . . . 10149 1 6 T. Kigawa . . . 10149 1 7 S. Yokoyama . . . 10149 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10149 _Assembly.ID 1 _Assembly.Name 'Protein MICAL-2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Protein MICAL-2' 1 $entity_1 . . yes native no no . . . 10149 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 2E9K . . . . . . 10149 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10149 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CH 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 ; GSSGSSGDIRPSKLLTWCQQ QTEGYQHVNVTDLTTSWRSG LALCAIIHRFRPELINFDSL NEDDAVENNQLAFDVAEREF GIPPVTTGKEMASAQEPDKL SMVMYLSKFYELFRGTPLRP V ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 121 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2E9K . "Solution Structure Of The Ch Domain From Human Mical-2" . . . . . 100.00 121 100.00 100.00 1.93e-84 . . . . 10149 1 2 no GB EFB30164 . "hypothetical protein PANDA_014826, partial [Ailuropoda melanoleuca]" . . . . . 94.21 1110 98.25 99.12 1.81e-70 . . . . 10149 1 3 no REF XP_003919889 . "PREDICTED: protein-methionine sulfoxide oxidase MICAL2 isoform X2 [Saimiri boliviensis boliviensis]" . . . . . 94.21 1101 98.25 100.00 6.16e-71 . . . . 10149 1 4 no REF XP_004394651 . "PREDICTED: protein-methionine sulfoxide oxidase MICAL2 isoform X1 [Odobenus rosmarus divergens]" . . . . . 94.21 1124 98.25 100.00 1.37e-70 . . . . 10149 1 5 no REF XP_004394652 . "PREDICTED: protein-methionine sulfoxide oxidase MICAL2 isoform X2 [Odobenus rosmarus divergens]" . . . . . 94.21 1103 98.25 100.00 1.32e-70 . . . . 10149 1 6 no REF XP_004394653 . "PREDICTED: protein-methionine sulfoxide oxidase MICAL2 isoform X3 [Odobenus rosmarus divergens]" . . . . . 94.21 1019 98.25 100.00 1.25e-70 . . . . 10149 1 7 no REF XP_004394654 . "PREDICTED: protein-methionine sulfoxide oxidase MICAL2 isoform X4 [Odobenus rosmarus divergens]" . . . . . 94.21 983 98.25 100.00 1.35e-70 . . . . 10149 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CH domain' . 10149 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 . 10149 1 2 . SER . 10149 1 3 . SER . 10149 1 4 . GLY . 10149 1 5 . SER . 10149 1 6 . SER . 10149 1 7 . GLY . 10149 1 8 . ASP . 10149 1 9 . ILE . 10149 1 10 . ARG . 10149 1 11 . PRO . 10149 1 12 . SER . 10149 1 13 . LYS . 10149 1 14 . LEU . 10149 1 15 . LEU . 10149 1 16 . THR . 10149 1 17 . TRP . 10149 1 18 . CYS . 10149 1 19 . GLN . 10149 1 20 . GLN . 10149 1 21 . GLN . 10149 1 22 . THR . 10149 1 23 . GLU . 10149 1 24 . GLY . 10149 1 25 . TYR . 10149 1 26 . GLN . 10149 1 27 . HIS . 10149 1 28 . VAL . 10149 1 29 . ASN . 10149 1 30 . VAL . 10149 1 31 . THR . 10149 1 32 . ASP . 10149 1 33 . LEU . 10149 1 34 . THR . 10149 1 35 . THR . 10149 1 36 . SER . 10149 1 37 . TRP . 10149 1 38 . ARG . 10149 1 39 . SER . 10149 1 40 . GLY . 10149 1 41 . LEU . 10149 1 42 . ALA . 10149 1 43 . LEU . 10149 1 44 . CYS . 10149 1 45 . ALA . 10149 1 46 . ILE . 10149 1 47 . ILE . 10149 1 48 . HIS . 10149 1 49 . ARG . 10149 1 50 . PHE . 10149 1 51 . ARG . 10149 1 52 . PRO . 10149 1 53 . GLU . 10149 1 54 . LEU . 10149 1 55 . ILE . 10149 1 56 . ASN . 10149 1 57 . PHE . 10149 1 58 . ASP . 10149 1 59 . SER . 10149 1 60 . LEU . 10149 1 61 . ASN . 10149 1 62 . GLU . 10149 1 63 . ASP . 10149 1 64 . ASP . 10149 1 65 . ALA . 10149 1 66 . VAL . 10149 1 67 . GLU . 10149 1 68 . ASN . 10149 1 69 . ASN . 10149 1 70 . GLN . 10149 1 71 . LEU . 10149 1 72 . ALA . 10149 1 73 . PHE . 10149 1 74 . ASP . 10149 1 75 . VAL . 10149 1 76 . ALA . 10149 1 77 . GLU . 10149 1 78 . ARG . 10149 1 79 . GLU . 10149 1 80 . PHE . 10149 1 81 . GLY . 10149 1 82 . ILE . 10149 1 83 . PRO . 10149 1 84 . PRO . 10149 1 85 . VAL . 10149 1 86 . THR . 10149 1 87 . THR . 10149 1 88 . GLY . 10149 1 89 . LYS . 10149 1 90 . GLU . 10149 1 91 . MET . 10149 1 92 . ALA . 10149 1 93 . SER . 10149 1 94 . ALA . 10149 1 95 . GLN . 10149 1 96 . GLU . 10149 1 97 . PRO . 10149 1 98 . ASP . 10149 1 99 . LYS . 10149 1 100 . LEU . 10149 1 101 . SER . 10149 1 102 . MET . 10149 1 103 . VAL . 10149 1 104 . MET . 10149 1 105 . TYR . 10149 1 106 . LEU . 10149 1 107 . SER . 10149 1 108 . LYS . 10149 1 109 . PHE . 10149 1 110 . TYR . 10149 1 111 . GLU . 10149 1 112 . LEU . 10149 1 113 . PHE . 10149 1 114 . ARG . 10149 1 115 . GLY . 10149 1 116 . THR . 10149 1 117 . PRO . 10149 1 118 . LEU . 10149 1 119 . ARG . 10149 1 120 . PRO . 10149 1 121 . VAL . 10149 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 10149 1 . SER 2 2 10149 1 . SER 3 3 10149 1 . GLY 4 4 10149 1 . SER 5 5 10149 1 . SER 6 6 10149 1 . GLY 7 7 10149 1 . ASP 8 8 10149 1 . ILE 9 9 10149 1 . ARG 10 10 10149 1 . PRO 11 11 10149 1 . SER 12 12 10149 1 . LYS 13 13 10149 1 . LEU 14 14 10149 1 . LEU 15 15 10149 1 . THR 16 16 10149 1 . TRP 17 17 10149 1 . CYS 18 18 10149 1 . GLN 19 19 10149 1 . GLN 20 20 10149 1 . GLN 21 21 10149 1 . THR 22 22 10149 1 . GLU 23 23 10149 1 . GLY 24 24 10149 1 . TYR 25 25 10149 1 . GLN 26 26 10149 1 . HIS 27 27 10149 1 . VAL 28 28 10149 1 . ASN 29 29 10149 1 . VAL 30 30 10149 1 . THR 31 31 10149 1 . ASP 32 32 10149 1 . LEU 33 33 10149 1 . THR 34 34 10149 1 . THR 35 35 10149 1 . SER 36 36 10149 1 . TRP 37 37 10149 1 . ARG 38 38 10149 1 . SER 39 39 10149 1 . GLY 40 40 10149 1 . LEU 41 41 10149 1 . ALA 42 42 10149 1 . LEU 43 43 10149 1 . CYS 44 44 10149 1 . ALA 45 45 10149 1 . ILE 46 46 10149 1 . ILE 47 47 10149 1 . HIS 48 48 10149 1 . ARG 49 49 10149 1 . PHE 50 50 10149 1 . ARG 51 51 10149 1 . PRO 52 52 10149 1 . GLU 53 53 10149 1 . LEU 54 54 10149 1 . ILE 55 55 10149 1 . ASN 56 56 10149 1 . PHE 57 57 10149 1 . ASP 58 58 10149 1 . SER 59 59 10149 1 . LEU 60 60 10149 1 . ASN 61 61 10149 1 . GLU 62 62 10149 1 . ASP 63 63 10149 1 . ASP 64 64 10149 1 . ALA 65 65 10149 1 . VAL 66 66 10149 1 . GLU 67 67 10149 1 . ASN 68 68 10149 1 . ASN 69 69 10149 1 . GLN 70 70 10149 1 . LEU 71 71 10149 1 . ALA 72 72 10149 1 . PHE 73 73 10149 1 . ASP 74 74 10149 1 . VAL 75 75 10149 1 . ALA 76 76 10149 1 . GLU 77 77 10149 1 . ARG 78 78 10149 1 . GLU 79 79 10149 1 . PHE 80 80 10149 1 . GLY 81 81 10149 1 . ILE 82 82 10149 1 . PRO 83 83 10149 1 . PRO 84 84 10149 1 . VAL 85 85 10149 1 . THR 86 86 10149 1 . THR 87 87 10149 1 . GLY 88 88 10149 1 . LYS 89 89 10149 1 . GLU 90 90 10149 1 . MET 91 91 10149 1 . ALA 92 92 10149 1 . SER 93 93 10149 1 . ALA 94 94 10149 1 . GLN 95 95 10149 1 . GLU 96 96 10149 1 . PRO 97 97 10149 1 . ASP 98 98 10149 1 . LYS 99 99 10149 1 . LEU 100 100 10149 1 . SER 101 101 10149 1 . MET 102 102 10149 1 . VAL 103 103 10149 1 . MET 104 104 10149 1 . TYR 105 105 10149 1 . LEU 106 106 10149 1 . SER 107 107 10149 1 . LYS 108 108 10149 1 . PHE 109 109 10149 1 . TYR 110 110 10149 1 . GLU 111 111 10149 1 . LEU 112 112 10149 1 . PHE 113 113 10149 1 . ARG 114 114 10149 1 . GLY 115 115 10149 1 . THR 116 116 10149 1 . PRO 117 117 10149 1 . LEU 118 118 10149 1 . ARG 119 119 10149 1 . PRO 120 120 10149 1 . VAL 121 121 10149 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 10149 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10149 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 10149 _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 . . P060522-24 . . . . . . 10149 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10149 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.20 . . mM . . . . 10149 1 2 'd-Tris-HCl(pH 7.0)' . . . . . . buffer 20 . . mM . . . . 10149 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10149 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10149 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10149 1 6 H2O . . . . . . solvent 90 . . % . . . . 10149 1 7 D2O . . . . . . solvent 10 . . % . . . . 10149 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 10149 _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 10149 1 pH 7.0 0.05 pH 10149 1 pressure 1 0.001 atm 10149 1 temperature 296 0.1 K 10149 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10149 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10149 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10149 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10149 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060524 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10149 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10149 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10149 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10149 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10149 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10149 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10149 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10149 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10149 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10149 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10149 5 'structure solution' 10149 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 10149 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10149 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 900 . . . 10149 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10149 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10149 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10149 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10149 _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 . . . . . . . . . 10149 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10149 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10149 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 10149 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10149 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10149 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 6 6 SER CA C 13 58.867 0.300 . 1 . . . . 6 SER CA . 10149 1 2 . 1 1 6 6 SER HA H 1 4.432 0.030 . 1 . . . . 6 SER HA . 10149 1 3 . 1 1 6 6 SER CB C 13 63.603 0.300 . 1 . . . . 6 SER CB . 10149 1 4 . 1 1 6 6 SER HB2 H 1 3.895 0.030 . 1 . . . . 6 SER HB2 . 10149 1 5 . 1 1 6 6 SER HB3 H 1 3.895 0.030 . 1 . . . . 6 SER HB3 . 10149 1 6 . 1 1 6 6 SER C C 13 175.018 0.300 . 1 . . . . 6 SER C . 10149 1 7 . 1 1 7 7 GLY N N 15 110.530 0.300 . 1 . . . . 7 GLY N . 10149 1 8 . 1 1 7 7 GLY H H 1 8.382 0.030 . 1 . . . . 7 GLY H . 10149 1 9 . 1 1 7 7 GLY CA C 13 45.311 0.300 . 1 . . . . 7 GLY CA . 10149 1 10 . 1 1 7 7 GLY HA2 H 1 3.922 0.030 . 1 . . . . 7 GLY HA2 . 10149 1 11 . 1 1 7 7 GLY HA3 H 1 3.922 0.030 . 1 . . . . 7 GLY HA3 . 10149 1 12 . 1 1 7 7 GLY C C 13 173.740 0.300 . 1 . . . . 7 GLY C . 10149 1 13 . 1 1 8 8 ASP N N 15 120.471 0.300 . 1 . . . . 8 ASP N . 10149 1 14 . 1 1 8 8 ASP H H 1 8.121 0.030 . 1 . . . . 8 ASP H . 10149 1 15 . 1 1 8 8 ASP CA C 13 54.214 0.300 . 1 . . . . 8 ASP CA . 10149 1 16 . 1 1 8 8 ASP HA H 1 4.560 0.030 . 1 . . . . 8 ASP HA . 10149 1 17 . 1 1 8 8 ASP CB C 13 41.172 0.300 . 1 . . . . 8 ASP CB . 10149 1 18 . 1 1 8 8 ASP HB2 H 1 2.651 0.030 . 2 . . . . 8 ASP HB2 . 10149 1 19 . 1 1 8 8 ASP HB3 H 1 2.519 0.030 . 2 . . . . 8 ASP HB3 . 10149 1 20 . 1 1 8 8 ASP C C 13 176.082 0.300 . 1 . . . . 8 ASP C . 10149 1 21 . 1 1 9 9 ILE N N 15 121.785 0.300 . 1 . . . . 9 ILE N . 10149 1 22 . 1 1 9 9 ILE H H 1 8.115 0.030 . 1 . . . . 9 ILE H . 10149 1 23 . 1 1 9 9 ILE CA C 13 60.327 0.300 . 1 . . . . 9 ILE CA . 10149 1 24 . 1 1 9 9 ILE HA H 1 4.083 0.030 . 1 . . . . 9 ILE HA . 10149 1 25 . 1 1 9 9 ILE CB C 13 38.394 0.300 . 1 . . . . 9 ILE CB . 10149 1 26 . 1 1 9 9 ILE HB H 1 1.719 0.030 . 1 . . . . 9 ILE HB . 10149 1 27 . 1 1 9 9 ILE CG1 C 13 27.517 0.300 . 1 . . . . 9 ILE CG1 . 10149 1 28 . 1 1 9 9 ILE HG12 H 1 1.271 0.030 . 2 . . . . 9 ILE HG12 . 10149 1 29 . 1 1 9 9 ILE HG13 H 1 1.065 0.030 . 2 . . . . 9 ILE HG13 . 10149 1 30 . 1 1 9 9 ILE CG2 C 13 17.304 0.300 . 1 . . . . 9 ILE CG2 . 10149 1 31 . 1 1 9 9 ILE HG21 H 1 0.639 0.030 . 1 . . . . 9 ILE HG2 . 10149 1 32 . 1 1 9 9 ILE HG22 H 1 0.639 0.030 . 1 . . . . 9 ILE HG2 . 10149 1 33 . 1 1 9 9 ILE HG23 H 1 0.639 0.030 . 1 . . . . 9 ILE HG2 . 10149 1 34 . 1 1 9 9 ILE CD1 C 13 12.879 0.300 . 1 . . . . 9 ILE CD1 . 10149 1 35 . 1 1 9 9 ILE HD11 H 1 0.560 0.030 . 1 . . . . 9 ILE HD1 . 10149 1 36 . 1 1 9 9 ILE HD12 H 1 0.560 0.030 . 1 . . . . 9 ILE HD1 . 10149 1 37 . 1 1 9 9 ILE HD13 H 1 0.560 0.030 . 1 . . . . 9 ILE HD1 . 10149 1 38 . 1 1 9 9 ILE C C 13 175.579 0.300 . 1 . . . . 9 ILE C . 10149 1 39 . 1 1 10 10 ARG N N 15 125.977 0.300 . 1 . . . . 10 ARG N . 10149 1 40 . 1 1 10 10 ARG H H 1 8.319 0.030 . 1 . . . . 10 ARG H . 10149 1 41 . 1 1 10 10 ARG CA C 13 54.661 0.300 . 1 . . . . 10 ARG CA . 10149 1 42 . 1 1 10 10 ARG HA H 1 4.493 0.030 . 1 . . . . 10 ARG HA . 10149 1 43 . 1 1 10 10 ARG CB C 13 29.730 0.300 . 1 . . . . 10 ARG CB . 10149 1 44 . 1 1 10 10 ARG HB2 H 1 1.881 0.030 . 2 . . . . 10 ARG HB2 . 10149 1 45 . 1 1 10 10 ARG HB3 H 1 1.770 0.030 . 2 . . . . 10 ARG HB3 . 10149 1 46 . 1 1 10 10 ARG CG C 13 26.838 0.300 . 1 . . . . 10 ARG CG . 10149 1 47 . 1 1 10 10 ARG HG2 H 1 1.740 0.030 . 2 . . . . 10 ARG HG2 . 10149 1 48 . 1 1 10 10 ARG HG3 H 1 1.657 0.030 . 2 . . . . 10 ARG HG3 . 10149 1 49 . 1 1 10 10 ARG CD C 13 43.390 0.300 . 1 . . . . 10 ARG CD . 10149 1 50 . 1 1 10 10 ARG HD2 H 1 3.194 0.030 . 1 . . . . 10 ARG HD2 . 10149 1 51 . 1 1 10 10 ARG HD3 H 1 3.194 0.030 . 1 . . . . 10 ARG HD3 . 10149 1 52 . 1 1 10 10 ARG C C 13 175.511 0.300 . 1 . . . . 10 ARG C . 10149 1 53 . 1 1 11 11 PRO CA C 13 65.595 0.300 . 1 . . . . 11 PRO CA . 10149 1 54 . 1 1 11 11 PRO HA H 1 4.064 0.030 . 1 . . . . 11 PRO HA . 10149 1 55 . 1 1 11 11 PRO CB C 13 31.690 0.300 . 1 . . . . 11 PRO CB . 10149 1 56 . 1 1 11 11 PRO HB2 H 1 2.136 0.030 . 2 . . . . 11 PRO HB2 . 10149 1 57 . 1 1 11 11 PRO HB3 H 1 2.024 0.030 . 2 . . . . 11 PRO HB3 . 10149 1 58 . 1 1 11 11 PRO CG C 13 27.925 0.300 . 1 . . . . 11 PRO CG . 10149 1 59 . 1 1 11 11 PRO HG2 H 1 1.906 0.030 . 2 . . . . 11 PRO HG2 . 10149 1 60 . 1 1 11 11 PRO HG3 H 1 2.196 0.030 . 2 . . . . 11 PRO HG3 . 10149 1 61 . 1 1 11 11 PRO CD C 13 50.592 0.300 . 1 . . . . 11 PRO CD . 10149 1 62 . 1 1 11 11 PRO HD2 H 1 3.894 0.030 . 2 . . . . 11 PRO HD2 . 10149 1 63 . 1 1 11 11 PRO HD3 H 1 3.762 0.030 . 2 . . . . 11 PRO HD3 . 10149 1 64 . 1 1 12 12 SER CA C 13 60.656 0.300 . 1 . . . . 12 SER CA . 10149 1 65 . 1 1 12 12 SER HA H 1 4.194 0.030 . 1 . . . . 12 SER HA . 10149 1 66 . 1 1 12 12 SER CB C 13 62.321 0.300 . 1 . . . . 12 SER CB . 10149 1 67 . 1 1 12 12 SER HB2 H 1 3.942 0.030 . 1 . . . . 12 SER HB2 . 10149 1 68 . 1 1 12 12 SER HB3 H 1 3.942 0.030 . 1 . . . . 12 SER HB3 . 10149 1 69 . 1 1 13 13 LYS H H 1 7.510 0.030 . 1 . . . . 13 LYS H . 10149 1 70 . 1 1 13 13 LYS CA C 13 58.585 0.300 . 1 . . . . 13 LYS CA . 10149 1 71 . 1 1 13 13 LYS HA H 1 4.186 0.030 . 1 . . . . 13 LYS HA . 10149 1 72 . 1 1 13 13 LYS CB C 13 32.274 0.300 . 1 . . . . 13 LYS CB . 10149 1 73 . 1 1 13 13 LYS HB2 H 1 1.856 0.030 . 1 . . . . 13 LYS HB2 . 10149 1 74 . 1 1 13 13 LYS HB3 H 1 1.856 0.030 . 1 . . . . 13 LYS HB3 . 10149 1 75 . 1 1 13 13 LYS CG C 13 25.152 0.300 . 1 . . . . 13 LYS CG . 10149 1 76 . 1 1 13 13 LYS HG2 H 1 1.381 0.030 . 2 . . . . 13 LYS HG2 . 10149 1 77 . 1 1 13 13 LYS HG3 H 1 1.527 0.030 . 2 . . . . 13 LYS HG3 . 10149 1 78 . 1 1 13 13 LYS CD C 13 29.032 0.300 . 1 . . . . 13 LYS CD . 10149 1 79 . 1 1 13 13 LYS HD2 H 1 1.712 0.030 . 1 . . . . 13 LYS HD2 . 10149 1 80 . 1 1 13 13 LYS HD3 H 1 1.712 0.030 . 1 . . . . 13 LYS HD3 . 10149 1 81 . 1 1 13 13 LYS CE C 13 42.138 0.300 . 1 . . . . 13 LYS CE . 10149 1 82 . 1 1 13 13 LYS HE2 H 1 2.984 0.030 . 1 . . . . 13 LYS HE2 . 10149 1 83 . 1 1 13 13 LYS HE3 H 1 2.984 0.030 . 1 . . . . 13 LYS HE3 . 10149 1 84 . 1 1 13 13 LYS C C 13 179.028 0.300 . 1 . . . . 13 LYS C . 10149 1 85 . 1 1 14 14 LEU N N 15 121.315 0.300 . 1 . . . . 14 LEU N . 10149 1 86 . 1 1 14 14 LEU H H 1 7.968 0.030 . 1 . . . . 14 LEU H . 10149 1 87 . 1 1 14 14 LEU CA C 13 57.648 0.300 . 1 . . . . 14 LEU CA . 10149 1 88 . 1 1 14 14 LEU HA H 1 3.889 0.030 . 1 . . . . 14 LEU HA . 10149 1 89 . 1 1 14 14 LEU CB C 13 42.171 0.300 . 1 . . . . 14 LEU CB . 10149 1 90 . 1 1 14 14 LEU HB2 H 1 1.849 0.030 . 2 . . . . 14 LEU HB2 . 10149 1 91 . 1 1 14 14 LEU HB3 H 1 1.213 0.030 . 2 . . . . 14 LEU HB3 . 10149 1 92 . 1 1 14 14 LEU CG C 13 27.022 0.300 . 1 . . . . 14 LEU CG . 10149 1 93 . 1 1 14 14 LEU HG H 1 1.438 0.030 . 1 . . . . 14 LEU HG . 10149 1 94 . 1 1 14 14 LEU CD1 C 13 23.269 0.300 . 2 . . . . 14 LEU CD1 . 10149 1 95 . 1 1 14 14 LEU HD11 H 1 0.688 0.030 . 1 . . . . 14 LEU HD1 . 10149 1 96 . 1 1 14 14 LEU HD12 H 1 0.688 0.030 . 1 . . . . 14 LEU HD1 . 10149 1 97 . 1 1 14 14 LEU HD13 H 1 0.688 0.030 . 1 . . . . 14 LEU HD1 . 10149 1 98 . 1 1 14 14 LEU CD2 C 13 27.207 0.300 . 2 . . . . 14 LEU CD2 . 10149 1 99 . 1 1 14 14 LEU HD21 H 1 0.835 0.030 . 1 . . . . 14 LEU HD2 . 10149 1 100 . 1 1 14 14 LEU HD22 H 1 0.835 0.030 . 1 . . . . 14 LEU HD2 . 10149 1 101 . 1 1 14 14 LEU HD23 H 1 0.835 0.030 . 1 . . . . 14 LEU HD2 . 10149 1 102 . 1 1 14 14 LEU C C 13 178.689 0.300 . 1 . . . . 14 LEU C . 10149 1 103 . 1 1 15 15 LEU N N 15 120.526 0.300 . 1 . . . . 15 LEU N . 10149 1 104 . 1 1 15 15 LEU H H 1 8.546 0.030 . 1 . . . . 15 LEU H . 10149 1 105 . 1 1 15 15 LEU CA C 13 59.227 0.300 . 1 . . . . 15 LEU CA . 10149 1 106 . 1 1 15 15 LEU HA H 1 4.038 0.030 . 1 . . . . 15 LEU HA . 10149 1 107 . 1 1 15 15 LEU CB C 13 40.993 0.300 . 1 . . . . 15 LEU CB . 10149 1 108 . 1 1 15 15 LEU HB2 H 1 2.042 0.030 . 2 . . . . 15 LEU HB2 . 10149 1 109 . 1 1 15 15 LEU HB3 H 1 1.382 0.030 . 2 . . . . 15 LEU HB3 . 10149 1 110 . 1 1 15 15 LEU CG C 13 26.759 0.300 . 1 . . . . 15 LEU CG . 10149 1 111 . 1 1 15 15 LEU HG H 1 1.365 0.030 . 1 . . . . 15 LEU HG . 10149 1 112 . 1 1 15 15 LEU CD1 C 13 23.962 0.300 . 2 . . . . 15 LEU CD1 . 10149 1 113 . 1 1 15 15 LEU HD11 H 1 0.706 0.030 . 1 . . . . 15 LEU HD1 . 10149 1 114 . 1 1 15 15 LEU HD12 H 1 0.706 0.030 . 1 . . . . 15 LEU HD1 . 10149 1 115 . 1 1 15 15 LEU HD13 H 1 0.706 0.030 . 1 . . . . 15 LEU HD1 . 10149 1 116 . 1 1 15 15 LEU CD2 C 13 26.094 0.300 . 2 . . . . 15 LEU CD2 . 10149 1 117 . 1 1 15 15 LEU HD21 H 1 0.846 0.030 . 1 . . . . 15 LEU HD2 . 10149 1 118 . 1 1 15 15 LEU HD22 H 1 0.846 0.030 . 1 . . . . 15 LEU HD2 . 10149 1 119 . 1 1 15 15 LEU HD23 H 1 0.846 0.030 . 1 . . . . 15 LEU HD2 . 10149 1 120 . 1 1 15 15 LEU C C 13 178.020 0.300 . 1 . . . . 15 LEU C . 10149 1 121 . 1 1 16 16 THR N N 15 114.667 0.300 . 1 . . . . 16 THR N . 10149 1 122 . 1 1 16 16 THR H H 1 7.945 0.030 . 1 . . . . 16 THR H . 10149 1 123 . 1 1 16 16 THR CA C 13 66.778 0.300 . 1 . . . . 16 THR CA . 10149 1 124 . 1 1 16 16 THR HA H 1 4.162 0.030 . 1 . . . . 16 THR HA . 10149 1 125 . 1 1 16 16 THR CB C 13 68.914 0.300 . 1 . . . . 16 THR CB . 10149 1 126 . 1 1 16 16 THR HB H 1 4.234 0.030 . 1 . . . . 16 THR HB . 10149 1 127 . 1 1 16 16 THR CG2 C 13 22.054 0.300 . 1 . . . . 16 THR CG2 . 10149 1 128 . 1 1 16 16 THR HG21 H 1 1.341 0.030 . 1 . . . . 16 THR HG2 . 10149 1 129 . 1 1 16 16 THR HG22 H 1 1.341 0.030 . 1 . . . . 16 THR HG2 . 10149 1 130 . 1 1 16 16 THR HG23 H 1 1.341 0.030 . 1 . . . . 16 THR HG2 . 10149 1 131 . 1 1 16 16 THR C C 13 176.419 0.300 . 1 . . . . 16 THR C . 10149 1 132 . 1 1 17 17 TRP N N 15 122.548 0.300 . 1 . . . . 17 TRP N . 10149 1 133 . 1 1 17 17 TRP H H 1 8.242 0.030 . 1 . . . . 17 TRP H . 10149 1 134 . 1 1 17 17 TRP CA C 13 63.006 0.300 . 1 . . . . 17 TRP CA . 10149 1 135 . 1 1 17 17 TRP HA H 1 4.442 0.030 . 1 . . . . 17 TRP HA . 10149 1 136 . 1 1 17 17 TRP CB C 13 28.530 0.300 . 1 . . . . 17 TRP CB . 10149 1 137 . 1 1 17 17 TRP HB2 H 1 3.705 0.030 . 2 . . . . 17 TRP HB2 . 10149 1 138 . 1 1 17 17 TRP HB3 H 1 3.512 0.030 . 2 . . . . 17 TRP HB3 . 10149 1 139 . 1 1 17 17 TRP CD1 C 13 127.709 0.300 . 1 . . . . 17 TRP CD1 . 10149 1 140 . 1 1 17 17 TRP HD1 H 1 7.605 0.030 . 1 . . . . 17 TRP HD1 . 10149 1 141 . 1 1 17 17 TRP NE1 N 15 131.114 0.300 . 1 . . . . 17 TRP NE1 . 10149 1 142 . 1 1 17 17 TRP HE1 H 1 10.636 0.030 . 1 . . . . 17 TRP HE1 . 10149 1 143 . 1 1 17 17 TRP CE3 C 13 121.876 0.300 . 1 . . . . 17 TRP CE3 . 10149 1 144 . 1 1 17 17 TRP HE3 H 1 8.037 0.030 . 1 . . . . 17 TRP HE3 . 10149 1 145 . 1 1 17 17 TRP CZ2 C 13 114.257 0.300 . 1 . . . . 17 TRP CZ2 . 10149 1 146 . 1 1 17 17 TRP HZ2 H 1 7.202 0.030 . 1 . . . . 17 TRP HZ2 . 10149 1 147 . 1 1 17 17 TRP CZ3 C 13 121.018 0.300 . 1 . . . . 17 TRP CZ3 . 10149 1 148 . 1 1 17 17 TRP HZ3 H 1 7.036 0.030 . 1 . . . . 17 TRP HZ3 . 10149 1 149 . 1 1 17 17 TRP CH2 C 13 123.687 0.300 . 1 . . . . 17 TRP CH2 . 10149 1 150 . 1 1 17 17 TRP HH2 H 1 6.990 0.030 . 1 . . . . 17 TRP HH2 . 10149 1 151 . 1 1 17 17 TRP C C 13 178.678 0.300 . 1 . . . . 17 TRP C . 10149 1 152 . 1 1 18 18 CYS N N 15 117.202 0.300 . 1 . . . . 18 CYS N . 10149 1 153 . 1 1 18 18 CYS H H 1 8.993 0.030 . 1 . . . . 18 CYS H . 10149 1 154 . 1 1 18 18 CYS CA C 13 64.830 0.300 . 1 . . . . 18 CYS CA . 10149 1 155 . 1 1 18 18 CYS HA H 1 3.855 0.030 . 1 . . . . 18 CYS HA . 10149 1 156 . 1 1 18 18 CYS CB C 13 27.945 0.300 . 1 . . . . 18 CYS CB . 10149 1 157 . 1 1 18 18 CYS HB2 H 1 3.620 0.030 . 2 . . . . 18 CYS HB2 . 10149 1 158 . 1 1 18 18 CYS HB3 H 1 2.867 0.030 . 2 . . . . 18 CYS HB3 . 10149 1 159 . 1 1 18 18 CYS C C 13 178.411 0.300 . 1 . . . . 18 CYS C . 10149 1 160 . 1 1 19 19 GLN N N 15 120.296 0.300 . 1 . . . . 19 GLN N . 10149 1 161 . 1 1 19 19 GLN H H 1 8.696 0.030 . 1 . . . . 19 GLN H . 10149 1 162 . 1 1 19 19 GLN CA C 13 59.705 0.300 . 1 . . . . 19 GLN CA . 10149 1 163 . 1 1 19 19 GLN HA H 1 3.654 0.030 . 1 . . . . 19 GLN HA . 10149 1 164 . 1 1 19 19 GLN CB C 13 27.820 0.300 . 1 . . . . 19 GLN CB . 10149 1 165 . 1 1 19 19 GLN HB2 H 1 2.527 0.030 . 2 . . . . 19 GLN HB2 . 10149 1 166 . 1 1 19 19 GLN HB3 H 1 1.946 0.030 . 2 . . . . 19 GLN HB3 . 10149 1 167 . 1 1 19 19 GLN CG C 13 34.262 0.300 . 1 . . . . 19 GLN CG . 10149 1 168 . 1 1 19 19 GLN HG2 H 1 2.546 0.030 . 2 . . . . 19 GLN HG2 . 10149 1 169 . 1 1 19 19 GLN HG3 H 1 2.488 0.030 . 2 . . . . 19 GLN HG3 . 10149 1 170 . 1 1 19 19 GLN NE2 N 15 109.450 0.300 . 1 . . . . 19 GLN NE2 . 10149 1 171 . 1 1 19 19 GLN HE21 H 1 7.377 0.030 . 2 . . . . 19 GLN HE21 . 10149 1 172 . 1 1 19 19 GLN HE22 H 1 6.830 0.030 . 2 . . . . 19 GLN HE22 . 10149 1 173 . 1 1 19 19 GLN C C 13 177.957 0.300 . 1 . . . . 19 GLN C . 10149 1 174 . 1 1 20 20 GLN N N 15 119.247 0.300 . 1 . . . . 20 GLN N . 10149 1 175 . 1 1 20 20 GLN H H 1 8.306 0.030 . 1 . . . . 20 GLN H . 10149 1 176 . 1 1 20 20 GLN CA C 13 58.838 0.300 . 1 . . . . 20 GLN CA . 10149 1 177 . 1 1 20 20 GLN HA H 1 4.016 0.030 . 1 . . . . 20 GLN HA . 10149 1 178 . 1 1 20 20 GLN CB C 13 28.000 0.300 . 1 . . . . 20 GLN CB . 10149 1 179 . 1 1 20 20 GLN HB2 H 1 2.205 0.030 . 2 . . . . 20 GLN HB2 . 10149 1 180 . 1 1 20 20 GLN HB3 H 1 1.965 0.030 . 2 . . . . 20 GLN HB3 . 10149 1 181 . 1 1 20 20 GLN CG C 13 33.978 0.300 . 1 . . . . 20 GLN CG . 10149 1 182 . 1 1 20 20 GLN HG2 H 1 2.286 0.030 . 2 . . . . 20 GLN HG2 . 10149 1 183 . 1 1 20 20 GLN HG3 H 1 2.608 0.030 . 2 . . . . 20 GLN HG3 . 10149 1 184 . 1 1 20 20 GLN NE2 N 15 111.510 0.300 . 1 . . . . 20 GLN NE2 . 10149 1 185 . 1 1 20 20 GLN HE21 H 1 7.544 0.030 . 2 . . . . 20 GLN HE21 . 10149 1 186 . 1 1 20 20 GLN HE22 H 1 6.782 0.030 . 2 . . . . 20 GLN HE22 . 10149 1 187 . 1 1 20 20 GLN C C 13 179.476 0.300 . 1 . . . . 20 GLN C . 10149 1 188 . 1 1 21 21 GLN N N 15 113.337 0.300 . 1 . . . . 21 GLN N . 10149 1 189 . 1 1 21 21 GLN H H 1 7.999 0.030 . 1 . . . . 21 GLN H . 10149 1 190 . 1 1 21 21 GLN CA C 13 55.909 0.300 . 1 . . . . 21 GLN CA . 10149 1 191 . 1 1 21 21 GLN HA H 1 4.043 0.030 . 1 . . . . 21 GLN HA . 10149 1 192 . 1 1 21 21 GLN CB C 13 27.676 0.300 . 1 . . . . 21 GLN CB . 10149 1 193 . 1 1 21 21 GLN HB2 H 1 1.796 0.030 . 2 . . . . 21 GLN HB2 . 10149 1 194 . 1 1 21 21 GLN HB3 H 1 1.233 0.030 . 2 . . . . 21 GLN HB3 . 10149 1 195 . 1 1 21 21 GLN CG C 13 30.471 0.300 . 1 . . . . 21 GLN CG . 10149 1 196 . 1 1 21 21 GLN HG2 H 1 0.983 0.030 . 2 . . . . 21 GLN HG2 . 10149 1 197 . 1 1 21 21 GLN HG3 H 1 1.494 0.030 . 2 . . . . 21 GLN HG3 . 10149 1 198 . 1 1 21 21 GLN NE2 N 15 110.765 0.300 . 1 . . . . 21 GLN NE2 . 10149 1 199 . 1 1 21 21 GLN HE21 H 1 5.593 0.030 . 2 . . . . 21 GLN HE21 . 10149 1 200 . 1 1 21 21 GLN HE22 H 1 6.618 0.030 . 2 . . . . 21 GLN HE22 . 10149 1 201 . 1 1 21 21 GLN C C 13 177.394 0.300 . 1 . . . . 21 GLN C . 10149 1 202 . 1 1 22 22 THR N N 15 103.485 0.300 . 1 . . . . 22 THR N . 10149 1 203 . 1 1 22 22 THR H H 1 7.119 0.030 . 1 . . . . 22 THR H . 10149 1 204 . 1 1 22 22 THR CA C 13 61.272 0.300 . 1 . . . . 22 THR CA . 10149 1 205 . 1 1 22 22 THR HA H 1 4.092 0.030 . 1 . . . . 22 THR HA . 10149 1 206 . 1 1 22 22 THR CB C 13 69.448 0.300 . 1 . . . . 22 THR CB . 10149 1 207 . 1 1 22 22 THR HB H 1 4.235 0.030 . 1 . . . . 22 THR HB . 10149 1 208 . 1 1 22 22 THR CG2 C 13 22.116 0.300 . 1 . . . . 22 THR CG2 . 10149 1 209 . 1 1 22 22 THR HG21 H 1 0.915 0.030 . 1 . . . . 22 THR HG2 . 10149 1 210 . 1 1 22 22 THR HG22 H 1 0.915 0.030 . 1 . . . . 22 THR HG2 . 10149 1 211 . 1 1 22 22 THR HG23 H 1 0.915 0.030 . 1 . . . . 22 THR HG2 . 10149 1 212 . 1 1 22 22 THR C C 13 174.644 0.300 . 1 . . . . 22 THR C . 10149 1 213 . 1 1 23 23 GLU N N 15 125.366 0.300 . 1 . . . . 23 GLU N . 10149 1 214 . 1 1 23 23 GLU H H 1 6.949 0.030 . 1 . . . . 23 GLU H . 10149 1 215 . 1 1 23 23 GLU CA C 13 58.389 0.300 . 1 . . . . 23 GLU CA . 10149 1 216 . 1 1 23 23 GLU HA H 1 3.999 0.030 . 1 . . . . 23 GLU HA . 10149 1 217 . 1 1 23 23 GLU CB C 13 29.683 0.300 . 1 . . . . 23 GLU CB . 10149 1 218 . 1 1 23 23 GLU HB2 H 1 2.022 0.030 . 2 . . . . 23 GLU HB2 . 10149 1 219 . 1 1 23 23 GLU HB3 H 1 1.881 0.030 . 2 . . . . 23 GLU HB3 . 10149 1 220 . 1 1 23 23 GLU CG C 13 35.809 0.300 . 1 . . . . 23 GLU CG . 10149 1 221 . 1 1 23 23 GLU HG2 H 1 2.335 0.030 . 2 . . . . 23 GLU HG2 . 10149 1 222 . 1 1 23 23 GLU HG3 H 1 2.190 0.030 . 2 . . . . 23 GLU HG3 . 10149 1 223 . 1 1 23 23 GLU C C 13 177.061 0.300 . 1 . . . . 23 GLU C . 10149 1 224 . 1 1 24 24 GLY N N 15 112.717 0.300 . 1 . . . . 24 GLY N . 10149 1 225 . 1 1 24 24 GLY H H 1 8.732 0.030 . 1 . . . . 24 GLY H . 10149 1 226 . 1 1 24 24 GLY CA C 13 45.326 0.300 . 1 . . . . 24 GLY CA . 10149 1 227 . 1 1 24 24 GLY HA2 H 1 3.988 0.030 . 2 . . . . 24 GLY HA2 . 10149 1 228 . 1 1 24 24 GLY HA3 H 1 3.538 0.030 . 2 . . . . 24 GLY HA3 . 10149 1 229 . 1 1 24 24 GLY C C 13 174.531 0.300 . 1 . . . . 24 GLY C . 10149 1 230 . 1 1 25 25 TYR N N 15 120.189 0.300 . 1 . . . . 25 TYR N . 10149 1 231 . 1 1 25 25 TYR H H 1 7.488 0.030 . 1 . . . . 25 TYR H . 10149 1 232 . 1 1 25 25 TYR CA C 13 59.028 0.300 . 1 . . . . 25 TYR CA . 10149 1 233 . 1 1 25 25 TYR HA H 1 3.947 0.030 . 1 . . . . 25 TYR HA . 10149 1 234 . 1 1 25 25 TYR CB C 13 37.202 0.300 . 1 . . . . 25 TYR CB . 10149 1 235 . 1 1 25 25 TYR HB2 H 1 2.555 0.030 . 2 . . . . 25 TYR HB2 . 10149 1 236 . 1 1 25 25 TYR HB3 H 1 2.144 0.030 . 2 . . . . 25 TYR HB3 . 10149 1 237 . 1 1 25 25 TYR CD1 C 13 132.245 0.300 . 1 . . . . 25 TYR CD1 . 10149 1 238 . 1 1 25 25 TYR HD1 H 1 5.762 0.030 . 1 . . . . 25 TYR HD1 . 10149 1 239 . 1 1 25 25 TYR CD2 C 13 132.245 0.300 . 1 . . . . 25 TYR CD2 . 10149 1 240 . 1 1 25 25 TYR HD2 H 1 5.762 0.030 . 1 . . . . 25 TYR HD2 . 10149 1 241 . 1 1 25 25 TYR CE1 C 13 117.382 0.300 . 1 . . . . 25 TYR CE1 . 10149 1 242 . 1 1 25 25 TYR HE1 H 1 6.263 0.030 . 1 . . . . 25 TYR HE1 . 10149 1 243 . 1 1 25 25 TYR CE2 C 13 117.382 0.300 . 1 . . . . 25 TYR CE2 . 10149 1 244 . 1 1 25 25 TYR HE2 H 1 6.263 0.030 . 1 . . . . 25 TYR HE2 . 10149 1 245 . 1 1 25 25 TYR C C 13 176.354 0.300 . 1 . . . . 25 TYR C . 10149 1 246 . 1 1 26 26 GLN N N 15 125.301 0.300 . 1 . . . . 26 GLN N . 10149 1 247 . 1 1 26 26 GLN H H 1 8.877 0.030 . 1 . . . . 26 GLN H . 10149 1 248 . 1 1 26 26 GLN CA C 13 56.923 0.300 . 1 . . . . 26 GLN CA . 10149 1 249 . 1 1 26 26 GLN HA H 1 3.866 0.030 . 1 . . . . 26 GLN HA . 10149 1 250 . 1 1 26 26 GLN CB C 13 28.808 0.300 . 1 . . . . 26 GLN CB . 10149 1 251 . 1 1 26 26 GLN HB2 H 1 1.851 0.030 . 2 . . . . 26 GLN HB2 . 10149 1 252 . 1 1 26 26 GLN HB3 H 1 1.670 0.030 . 2 . . . . 26 GLN HB3 . 10149 1 253 . 1 1 26 26 GLN CG C 13 33.672 0.300 . 1 . . . . 26 GLN CG . 10149 1 254 . 1 1 26 26 GLN HG2 H 1 2.055 0.030 . 2 . . . . 26 GLN HG2 . 10149 1 255 . 1 1 26 26 GLN HG3 H 1 2.182 0.030 . 2 . . . . 26 GLN HG3 . 10149 1 256 . 1 1 26 26 GLN NE2 N 15 112.367 0.300 . 1 . . . . 26 GLN NE2 . 10149 1 257 . 1 1 26 26 GLN HE21 H 1 6.852 0.030 . 2 . . . . 26 GLN HE21 . 10149 1 258 . 1 1 26 26 GLN HE22 H 1 7.467 0.030 . 2 . . . . 26 GLN HE22 . 10149 1 259 . 1 1 26 26 GLN C C 13 175.582 0.300 . 1 . . . . 26 GLN C . 10149 1 260 . 1 1 27 27 HIS N N 15 111.738 0.300 . 1 . . . . 27 HIS N . 10149 1 261 . 1 1 27 27 HIS H H 1 8.581 0.030 . 1 . . . . 27 HIS H . 10149 1 262 . 1 1 27 27 HIS CA C 13 56.937 0.300 . 1 . . . . 27 HIS CA . 10149 1 263 . 1 1 27 27 HIS HA H 1 4.174 0.030 . 1 . . . . 27 HIS HA . 10149 1 264 . 1 1 27 27 HIS CB C 13 26.839 0.300 . 1 . . . . 27 HIS CB . 10149 1 265 . 1 1 27 27 HIS HB2 H 1 3.551 0.030 . 2 . . . . 27 HIS HB2 . 10149 1 266 . 1 1 27 27 HIS HB3 H 1 3.274 0.030 . 2 . . . . 27 HIS HB3 . 10149 1 267 . 1 1 27 27 HIS CD2 C 13 120.183 0.300 . 1 . . . . 27 HIS CD2 . 10149 1 268 . 1 1 27 27 HIS HD2 H 1 7.174 0.030 . 1 . . . . 27 HIS HD2 . 10149 1 269 . 1 1 27 27 HIS CE1 C 13 136.924 0.300 . 1 . . . . 27 HIS CE1 . 10149 1 270 . 1 1 27 27 HIS HE1 H 1 8.332 0.030 . 1 . . . . 27 HIS HE1 . 10149 1 271 . 1 1 27 27 HIS C C 13 172.979 0.300 . 1 . . . . 27 HIS C . 10149 1 272 . 1 1 28 28 VAL N N 15 118.229 0.300 . 1 . . . . 28 VAL N . 10149 1 273 . 1 1 28 28 VAL H H 1 7.377 0.030 . 1 . . . . 28 VAL H . 10149 1 274 . 1 1 28 28 VAL CA C 13 61.927 0.300 . 1 . . . . 28 VAL CA . 10149 1 275 . 1 1 28 28 VAL HA H 1 3.922 0.030 . 1 . . . . 28 VAL HA . 10149 1 276 . 1 1 28 28 VAL CB C 13 33.373 0.300 . 1 . . . . 28 VAL CB . 10149 1 277 . 1 1 28 28 VAL HB H 1 1.834 0.030 . 1 . . . . 28 VAL HB . 10149 1 278 . 1 1 28 28 VAL CG1 C 13 22.255 0.300 . 2 . . . . 28 VAL CG1 . 10149 1 279 . 1 1 28 28 VAL HG11 H 1 0.670 0.030 . 1 . . . . 28 VAL HG1 . 10149 1 280 . 1 1 28 28 VAL HG12 H 1 0.670 0.030 . 1 . . . . 28 VAL HG1 . 10149 1 281 . 1 1 28 28 VAL HG13 H 1 0.670 0.030 . 1 . . . . 28 VAL HG1 . 10149 1 282 . 1 1 28 28 VAL CG2 C 13 22.775 0.300 . 2 . . . . 28 VAL CG2 . 10149 1 283 . 1 1 28 28 VAL HG21 H 1 0.707 0.030 . 1 . . . . 28 VAL HG2 . 10149 1 284 . 1 1 28 28 VAL HG22 H 1 0.707 0.030 . 1 . . . . 28 VAL HG2 . 10149 1 285 . 1 1 28 28 VAL HG23 H 1 0.707 0.030 . 1 . . . . 28 VAL HG2 . 10149 1 286 . 1 1 28 28 VAL C C 13 174.687 0.300 . 1 . . . . 28 VAL C . 10149 1 287 . 1 1 29 29 ASN N N 15 125.832 0.300 . 1 . . . . 29 ASN N . 10149 1 288 . 1 1 29 29 ASN H H 1 8.604 0.030 . 1 . . . . 29 ASN H . 10149 1 289 . 1 1 29 29 ASN CA C 13 52.651 0.300 . 1 . . . . 29 ASN CA . 10149 1 290 . 1 1 29 29 ASN HA H 1 4.682 0.030 . 1 . . . . 29 ASN HA . 10149 1 291 . 1 1 29 29 ASN CB C 13 39.124 0.300 . 1 . . . . 29 ASN CB . 10149 1 292 . 1 1 29 29 ASN HB2 H 1 2.564 0.030 . 2 . . . . 29 ASN HB2 . 10149 1 293 . 1 1 29 29 ASN HB3 H 1 2.644 0.030 . 2 . . . . 29 ASN HB3 . 10149 1 294 . 1 1 29 29 ASN ND2 N 15 111.668 0.300 . 1 . . . . 29 ASN ND2 . 10149 1 295 . 1 1 29 29 ASN HD21 H 1 6.685 0.030 . 2 . . . . 29 ASN HD21 . 10149 1 296 . 1 1 29 29 ASN HD22 H 1 7.464 0.030 . 2 . . . . 29 ASN HD22 . 10149 1 297 . 1 1 29 29 ASN C C 13 173.380 0.300 . 1 . . . . 29 ASN C . 10149 1 298 . 1 1 30 30 VAL N N 15 125.146 0.300 . 1 . . . . 30 VAL N . 10149 1 299 . 1 1 30 30 VAL H H 1 9.203 0.030 . 1 . . . . 30 VAL H . 10149 1 300 . 1 1 30 30 VAL CA C 13 63.838 0.300 . 1 . . . . 30 VAL CA . 10149 1 301 . 1 1 30 30 VAL HA H 1 3.699 0.030 . 1 . . . . 30 VAL HA . 10149 1 302 . 1 1 30 30 VAL CB C 13 31.136 0.300 . 1 . . . . 30 VAL CB . 10149 1 303 . 1 1 30 30 VAL HB H 1 1.780 0.030 . 1 . . . . 30 VAL HB . 10149 1 304 . 1 1 30 30 VAL CG1 C 13 22.607 0.300 . 2 . . . . 30 VAL CG1 . 10149 1 305 . 1 1 30 30 VAL HG11 H 1 1.022 0.030 . 1 . . . . 30 VAL HG1 . 10149 1 306 . 1 1 30 30 VAL HG12 H 1 1.022 0.030 . 1 . . . . 30 VAL HG1 . 10149 1 307 . 1 1 30 30 VAL HG13 H 1 1.022 0.030 . 1 . . . . 30 VAL HG1 . 10149 1 308 . 1 1 30 30 VAL CG2 C 13 22.191 0.300 . 2 . . . . 30 VAL CG2 . 10149 1 309 . 1 1 30 30 VAL HG21 H 1 0.292 0.030 . 1 . . . . 30 VAL HG2 . 10149 1 310 . 1 1 30 30 VAL HG22 H 1 0.292 0.030 . 1 . . . . 30 VAL HG2 . 10149 1 311 . 1 1 30 30 VAL HG23 H 1 0.292 0.030 . 1 . . . . 30 VAL HG2 . 10149 1 312 . 1 1 30 30 VAL C C 13 176.046 0.300 . 1 . . . . 30 VAL C . 10149 1 313 . 1 1 31 31 THR N N 15 118.952 0.300 . 1 . . . . 31 THR N . 10149 1 314 . 1 1 31 31 THR H H 1 8.396 0.030 . 1 . . . . 31 THR H . 10149 1 315 . 1 1 31 31 THR CA C 13 60.985 0.300 . 1 . . . . 31 THR CA . 10149 1 316 . 1 1 31 31 THR HA H 1 4.316 0.030 . 1 . . . . 31 THR HA . 10149 1 317 . 1 1 31 31 THR CB C 13 70.087 0.300 . 1 . . . . 31 THR CB . 10149 1 318 . 1 1 31 31 THR HB H 1 4.367 0.030 . 1 . . . . 31 THR HB . 10149 1 319 . 1 1 31 31 THR CG2 C 13 21.420 0.300 . 1 . . . . 31 THR CG2 . 10149 1 320 . 1 1 31 31 THR HG21 H 1 0.995 0.030 . 1 . . . . 31 THR HG2 . 10149 1 321 . 1 1 31 31 THR HG22 H 1 0.995 0.030 . 1 . . . . 31 THR HG2 . 10149 1 322 . 1 1 31 31 THR HG23 H 1 0.995 0.030 . 1 . . . . 31 THR HG2 . 10149 1 323 . 1 1 31 31 THR C C 13 173.296 0.300 . 1 . . . . 31 THR C . 10149 1 324 . 1 1 32 32 ASP N N 15 120.757 0.300 . 1 . . . . 32 ASP N . 10149 1 325 . 1 1 32 32 ASP H H 1 8.078 0.030 . 1 . . . . 32 ASP H . 10149 1 326 . 1 1 32 32 ASP CA C 13 53.069 0.300 . 1 . . . . 32 ASP CA . 10149 1 327 . 1 1 32 32 ASP HA H 1 4.536 0.030 . 1 . . . . 32 ASP HA . 10149 1 328 . 1 1 32 32 ASP CB C 13 41.527 0.300 . 1 . . . . 32 ASP CB . 10149 1 329 . 1 1 32 32 ASP HB2 H 1 3.332 0.030 . 2 . . . . 32 ASP HB2 . 10149 1 330 . 1 1 32 32 ASP HB3 H 1 3.104 0.030 . 2 . . . . 32 ASP HB3 . 10149 1 331 . 1 1 32 32 ASP C C 13 174.931 0.300 . 1 . . . . 32 ASP C . 10149 1 332 . 1 1 33 33 LEU N N 15 117.024 0.300 . 1 . . . . 33 LEU N . 10149 1 333 . 1 1 33 33 LEU H H 1 8.733 0.030 . 1 . . . . 33 LEU H . 10149 1 334 . 1 1 33 33 LEU CA C 13 54.453 0.300 . 1 . . . . 33 LEU CA . 10149 1 335 . 1 1 33 33 LEU HA H 1 4.834 0.030 . 1 . . . . 33 LEU HA . 10149 1 336 . 1 1 33 33 LEU CB C 13 41.867 0.300 . 1 . . . . 33 LEU CB . 10149 1 337 . 1 1 33 33 LEU HB2 H 1 1.593 0.030 . 2 . . . . 33 LEU HB2 . 10149 1 338 . 1 1 33 33 LEU HB3 H 1 1.725 0.030 . 2 . . . . 33 LEU HB3 . 10149 1 339 . 1 1 33 33 LEU CG C 13 27.054 0.300 . 1 . . . . 33 LEU CG . 10149 1 340 . 1 1 33 33 LEU HG H 1 1.620 0.030 . 1 . . . . 33 LEU HG . 10149 1 341 . 1 1 33 33 LEU CD1 C 13 26.742 0.300 . 2 . . . . 33 LEU CD1 . 10149 1 342 . 1 1 33 33 LEU HD11 H 1 0.910 0.030 . 1 . . . . 33 LEU HD1 . 10149 1 343 . 1 1 33 33 LEU HD12 H 1 0.910 0.030 . 1 . . . . 33 LEU HD1 . 10149 1 344 . 1 1 33 33 LEU HD13 H 1 0.910 0.030 . 1 . . . . 33 LEU HD1 . 10149 1 345 . 1 1 33 33 LEU CD2 C 13 23.270 0.300 . 2 . . . . 33 LEU CD2 . 10149 1 346 . 1 1 33 33 LEU HD21 H 1 0.761 0.030 . 1 . . . . 33 LEU HD2 . 10149 1 347 . 1 1 33 33 LEU HD22 H 1 0.761 0.030 . 1 . . . . 33 LEU HD2 . 10149 1 348 . 1 1 33 33 LEU HD23 H 1 0.761 0.030 . 1 . . . . 33 LEU HD2 . 10149 1 349 . 1 1 33 33 LEU C C 13 174.039 0.300 . 1 . . . . 33 LEU C . 10149 1 350 . 1 1 34 34 THR N N 15 103.873 0.300 . 1 . . . . 34 THR N . 10149 1 351 . 1 1 34 34 THR H H 1 7.900 0.030 . 1 . . . . 34 THR H . 10149 1 352 . 1 1 34 34 THR CA C 13 60.434 0.300 . 1 . . . . 34 THR CA . 10149 1 353 . 1 1 34 34 THR HA H 1 4.519 0.030 . 1 . . . . 34 THR HA . 10149 1 354 . 1 1 34 34 THR CB C 13 70.237 0.300 . 1 . . . . 34 THR CB . 10149 1 355 . 1 1 34 34 THR HB H 1 4.259 0.030 . 1 . . . . 34 THR HB . 10149 1 356 . 1 1 34 34 THR CG2 C 13 23.184 0.300 . 1 . . . . 34 THR CG2 . 10149 1 357 . 1 1 34 34 THR HG21 H 1 1.055 0.030 . 1 . . . . 34 THR HG2 . 10149 1 358 . 1 1 34 34 THR HG22 H 1 1.055 0.030 . 1 . . . . 34 THR HG2 . 10149 1 359 . 1 1 34 34 THR HG23 H 1 1.055 0.030 . 1 . . . . 34 THR HG2 . 10149 1 360 . 1 1 34 34 THR C C 13 175.954 0.300 . 1 . . . . 34 THR C . 10149 1 361 . 1 1 35 35 THR N N 15 118.103 0.300 . 1 . . . . 35 THR N . 10149 1 362 . 1 1 35 35 THR H H 1 9.363 0.030 . 1 . . . . 35 THR H . 10149 1 363 . 1 1 35 35 THR CA C 13 66.422 0.300 . 1 . . . . 35 THR CA . 10149 1 364 . 1 1 35 35 THR HA H 1 3.981 0.030 . 1 . . . . 35 THR HA . 10149 1 365 . 1 1 35 35 THR CB C 13 68.720 0.300 . 1 . . . . 35 THR CB . 10149 1 366 . 1 1 35 35 THR HB H 1 4.340 0.030 . 1 . . . . 35 THR HB . 10149 1 367 . 1 1 35 35 THR CG2 C 13 22.387 0.300 . 1 . . . . 35 THR CG2 . 10149 1 368 . 1 1 35 35 THR HG21 H 1 1.461 0.030 . 1 . . . . 35 THR HG2 . 10149 1 369 . 1 1 35 35 THR HG22 H 1 1.461 0.030 . 1 . . . . 35 THR HG2 . 10149 1 370 . 1 1 35 35 THR HG23 H 1 1.461 0.030 . 1 . . . . 35 THR HG2 . 10149 1 371 . 1 1 35 35 THR C C 13 177.778 0.300 . 1 . . . . 35 THR C . 10149 1 372 . 1 1 36 36 SER N N 15 120.417 0.300 . 1 . . . . 36 SER N . 10149 1 373 . 1 1 36 36 SER H H 1 10.544 0.030 . 1 . . . . 36 SER H . 10149 1 374 . 1 1 36 36 SER CA C 13 61.076 0.300 . 1 . . . . 36 SER CA . 10149 1 375 . 1 1 36 36 SER HA H 1 4.395 0.030 . 1 . . . . 36 SER HA . 10149 1 376 . 1 1 36 36 SER CB C 13 63.485 0.300 . 1 . . . . 36 SER CB . 10149 1 377 . 1 1 36 36 SER HB2 H 1 3.823 0.030 . 2 . . . . 36 SER HB2 . 10149 1 378 . 1 1 36 36 SER HB3 H 1 3.917 0.030 . 2 . . . . 36 SER HB3 . 10149 1 379 . 1 1 36 36 SER C C 13 173.956 0.300 . 1 . . . . 36 SER C . 10149 1 380 . 1 1 37 37 TRP N N 15 121.387 0.300 . 1 . . . . 37 TRP N . 10149 1 381 . 1 1 37 37 TRP H H 1 8.126 0.030 . 1 . . . . 37 TRP H . 10149 1 382 . 1 1 37 37 TRP CA C 13 57.689 0.300 . 1 . . . . 37 TRP CA . 10149 1 383 . 1 1 37 37 TRP HA H 1 4.340 0.030 . 1 . . . . 37 TRP HA . 10149 1 384 . 1 1 37 37 TRP CB C 13 28.915 0.300 . 1 . . . . 37 TRP CB . 10149 1 385 . 1 1 37 37 TRP HB2 H 1 3.654 0.030 . 2 . . . . 37 TRP HB2 . 10149 1 386 . 1 1 37 37 TRP HB3 H 1 3.053 0.030 . 2 . . . . 37 TRP HB3 . 10149 1 387 . 1 1 37 37 TRP CD1 C 13 127.381 0.300 . 1 . . . . 37 TRP CD1 . 10149 1 388 . 1 1 37 37 TRP HD1 H 1 6.926 0.030 . 1 . . . . 37 TRP HD1 . 10149 1 389 . 1 1 37 37 TRP NE1 N 15 128.240 0.300 . 1 . . . . 37 TRP NE1 . 10149 1 390 . 1 1 37 37 TRP HE1 H 1 10.532 0.030 . 1 . . . . 37 TRP HE1 . 10149 1 391 . 1 1 37 37 TRP CE3 C 13 121.542 0.300 . 1 . . . . 37 TRP CE3 . 10149 1 392 . 1 1 37 37 TRP HE3 H 1 6.520 0.030 . 1 . . . . 37 TRP HE3 . 10149 1 393 . 1 1 37 37 TRP CZ2 C 13 113.972 0.300 . 1 . . . . 37 TRP CZ2 . 10149 1 394 . 1 1 37 37 TRP HZ2 H 1 7.131 0.030 . 1 . . . . 37 TRP HZ2 . 10149 1 395 . 1 1 37 37 TRP CZ3 C 13 121.431 0.300 . 1 . . . . 37 TRP CZ3 . 10149 1 396 . 1 1 37 37 TRP HZ3 H 1 7.875 0.030 . 1 . . . . 37 TRP HZ3 . 10149 1 397 . 1 1 37 37 TRP CH2 C 13 122.628 0.300 . 1 . . . . 37 TRP CH2 . 10149 1 398 . 1 1 37 37 TRP HH2 H 1 6.835 0.030 . 1 . . . . 37 TRP HH2 . 10149 1 399 . 1 1 37 37 TRP C C 13 176.751 0.300 . 1 . . . . 37 TRP C . 10149 1 400 . 1 1 38 38 ARG N N 15 121.787 0.300 . 1 . . . . 38 ARG N . 10149 1 401 . 1 1 38 38 ARG H H 1 7.473 0.030 . 1 . . . . 38 ARG H . 10149 1 402 . 1 1 38 38 ARG CA C 13 60.250 0.300 . 1 . . . . 38 ARG CA . 10149 1 403 . 1 1 38 38 ARG HA H 1 4.065 0.030 . 1 . . . . 38 ARG HA . 10149 1 404 . 1 1 38 38 ARG CB C 13 30.807 0.300 . 1 . . . . 38 ARG CB . 10149 1 405 . 1 1 38 38 ARG HB2 H 1 1.991 0.030 . 1 . . . . 38 ARG HB2 . 10149 1 406 . 1 1 38 38 ARG HB3 H 1 1.991 0.030 . 1 . . . . 38 ARG HB3 . 10149 1 407 . 1 1 38 38 ARG CG C 13 27.713 0.300 . 1 . . . . 38 ARG CG . 10149 1 408 . 1 1 38 38 ARG HG2 H 1 1.846 0.030 . 2 . . . . 38 ARG HG2 . 10149 1 409 . 1 1 38 38 ARG HG3 H 1 2.027 0.030 . 2 . . . . 38 ARG HG3 . 10149 1 410 . 1 1 38 38 ARG CD C 13 44.041 0.300 . 1 . . . . 38 ARG CD . 10149 1 411 . 1 1 38 38 ARG HD2 H 1 3.361 0.030 . 2 . . . . 38 ARG HD2 . 10149 1 412 . 1 1 38 38 ARG HD3 H 1 3.289 0.030 . 2 . . . . 38 ARG HD3 . 10149 1 413 . 1 1 38 38 ARG NE N 15 84.821 0.300 . 1 . . . . 38 ARG NE . 10149 1 414 . 1 1 38 38 ARG HE H 1 7.239 0.030 . 1 . . . . 38 ARG HE . 10149 1 415 . 1 1 38 38 ARG C C 13 177.636 0.300 . 1 . . . . 38 ARG C . 10149 1 416 . 1 1 39 39 SER N N 15 110.340 0.300 . 1 . . . . 39 SER N . 10149 1 417 . 1 1 39 39 SER H H 1 8.665 0.030 . 1 . . . . 39 SER H . 10149 1 418 . 1 1 39 39 SER CA C 13 59.336 0.300 . 1 . . . . 39 SER CA . 10149 1 419 . 1 1 39 39 SER HA H 1 4.349 0.030 . 1 . . . . 39 SER HA . 10149 1 420 . 1 1 39 39 SER CB C 13 64.907 0.300 . 1 . . . . 39 SER CB . 10149 1 421 . 1 1 39 39 SER HB2 H 1 4.070 0.030 . 2 . . . . 39 SER HB2 . 10149 1 422 . 1 1 39 39 SER HB3 H 1 4.281 0.030 . 2 . . . . 39 SER HB3 . 10149 1 423 . 1 1 39 39 SER C C 13 174.768 0.300 . 1 . . . . 39 SER C . 10149 1 424 . 1 1 40 40 GLY N N 15 109.467 0.300 . 1 . . . . 40 GLY N . 10149 1 425 . 1 1 40 40 GLY H H 1 7.549 0.030 . 1 . . . . 40 GLY H . 10149 1 426 . 1 1 40 40 GLY CA C 13 46.347 0.300 . 1 . . . . 40 GLY CA . 10149 1 427 . 1 1 40 40 GLY HA2 H 1 3.875 0.030 . 2 . . . . 40 GLY HA2 . 10149 1 428 . 1 1 40 40 GLY HA3 H 1 3.915 0.030 . 2 . . . . 40 GLY HA3 . 10149 1 429 . 1 1 40 40 GLY C C 13 173.725 0.300 . 1 . . . . 40 GLY C . 10149 1 430 . 1 1 41 41 LEU N N 15 117.562 0.300 . 1 . . . . 41 LEU N . 10149 1 431 . 1 1 41 41 LEU H H 1 7.287 0.030 . 1 . . . . 41 LEU H . 10149 1 432 . 1 1 41 41 LEU CA C 13 57.482 0.300 . 1 . . . . 41 LEU CA . 10149 1 433 . 1 1 41 41 LEU HA H 1 3.882 0.030 . 1 . . . . 41 LEU HA . 10149 1 434 . 1 1 41 41 LEU CB C 13 42.615 0.300 . 1 . . . . 41 LEU CB . 10149 1 435 . 1 1 41 41 LEU HB2 H 1 1.593 0.030 . 2 . . . . 41 LEU HB2 . 10149 1 436 . 1 1 41 41 LEU HB3 H 1 1.365 0.030 . 2 . . . . 41 LEU HB3 . 10149 1 437 . 1 1 41 41 LEU CG C 13 27.054 0.300 . 1 . . . . 41 LEU CG . 10149 1 438 . 1 1 41 41 LEU HG H 1 1.535 0.030 . 1 . . . . 41 LEU HG . 10149 1 439 . 1 1 41 41 LEU CD1 C 13 26.433 0.300 . 2 . . . . 41 LEU CD1 . 10149 1 440 . 1 1 41 41 LEU HD11 H 1 0.819 0.030 . 1 . . . . 41 LEU HD1 . 10149 1 441 . 1 1 41 41 LEU HD12 H 1 0.819 0.030 . 1 . . . . 41 LEU HD1 . 10149 1 442 . 1 1 41 41 LEU HD13 H 1 0.819 0.030 . 1 . . . . 41 LEU HD1 . 10149 1 443 . 1 1 41 41 LEU CD2 C 13 23.546 0.300 . 2 . . . . 41 LEU CD2 . 10149 1 444 . 1 1 41 41 LEU HD21 H 1 0.434 0.030 . 1 . . . . 41 LEU HD2 . 10149 1 445 . 1 1 41 41 LEU HD22 H 1 0.434 0.030 . 1 . . . . 41 LEU HD2 . 10149 1 446 . 1 1 41 41 LEU HD23 H 1 0.434 0.030 . 1 . . . . 41 LEU HD2 . 10149 1 447 . 1 1 41 41 LEU C C 13 178.159 0.300 . 1 . . . . 41 LEU C . 10149 1 448 . 1 1 42 42 ALA N N 15 121.758 0.300 . 1 . . . . 42 ALA N . 10149 1 449 . 1 1 42 42 ALA H H 1 8.506 0.030 . 1 . . . . 42 ALA H . 10149 1 450 . 1 1 42 42 ALA CA C 13 55.694 0.300 . 1 . . . . 42 ALA CA . 10149 1 451 . 1 1 42 42 ALA HA H 1 3.582 0.030 . 1 . . . . 42 ALA HA . 10149 1 452 . 1 1 42 42 ALA CB C 13 17.039 0.300 . 1 . . . . 42 ALA CB . 10149 1 453 . 1 1 42 42 ALA HB1 H 1 0.276 0.030 . 1 . . . . 42 ALA HB . 10149 1 454 . 1 1 42 42 ALA HB2 H 1 0.276 0.030 . 1 . . . . 42 ALA HB . 10149 1 455 . 1 1 42 42 ALA HB3 H 1 0.276 0.030 . 1 . . . . 42 ALA HB . 10149 1 456 . 1 1 42 42 ALA C C 13 178.076 0.300 . 1 . . . . 42 ALA C . 10149 1 457 . 1 1 43 43 LEU N N 15 118.332 0.300 . 1 . . . . 43 LEU N . 10149 1 458 . 1 1 43 43 LEU H H 1 8.933 0.030 . 1 . . . . 43 LEU H . 10149 1 459 . 1 1 43 43 LEU CA C 13 57.425 0.300 . 1 . . . . 43 LEU CA . 10149 1 460 . 1 1 43 43 LEU HA H 1 4.308 0.030 . 1 . . . . 43 LEU HA . 10149 1 461 . 1 1 43 43 LEU CB C 13 42.068 0.300 . 1 . . . . 43 LEU CB . 10149 1 462 . 1 1 43 43 LEU HB2 H 1 1.893 0.030 . 2 . . . . 43 LEU HB2 . 10149 1 463 . 1 1 43 43 LEU HB3 H 1 1.736 0.030 . 2 . . . . 43 LEU HB3 . 10149 1 464 . 1 1 43 43 LEU CG C 13 27.219 0.300 . 1 . . . . 43 LEU CG . 10149 1 465 . 1 1 43 43 LEU HG H 1 1.640 0.030 . 1 . . . . 43 LEU HG . 10149 1 466 . 1 1 43 43 LEU CD1 C 13 21.613 0.300 . 2 . . . . 43 LEU CD1 . 10149 1 467 . 1 1 43 43 LEU HD11 H 1 0.417 0.030 . 1 . . . . 43 LEU HD1 . 10149 1 468 . 1 1 43 43 LEU HD12 H 1 0.417 0.030 . 1 . . . . 43 LEU HD1 . 10149 1 469 . 1 1 43 43 LEU HD13 H 1 0.417 0.030 . 1 . . . . 43 LEU HD1 . 10149 1 470 . 1 1 43 43 LEU CD2 C 13 27.380 0.300 . 2 . . . . 43 LEU CD2 . 10149 1 471 . 1 1 43 43 LEU HD21 H 1 1.249 0.030 . 1 . . . . 43 LEU HD2 . 10149 1 472 . 1 1 43 43 LEU HD22 H 1 1.249 0.030 . 1 . . . . 43 LEU HD2 . 10149 1 473 . 1 1 43 43 LEU HD23 H 1 1.249 0.030 . 1 . . . . 43 LEU HD2 . 10149 1 474 . 1 1 43 43 LEU C C 13 179.198 0.300 . 1 . . . . 43 LEU C . 10149 1 475 . 1 1 44 44 CYS N N 15 115.098 0.300 . 1 . . . . 44 CYS N . 10149 1 476 . 1 1 44 44 CYS H H 1 7.607 0.030 . 1 . . . . 44 CYS H . 10149 1 477 . 1 1 44 44 CYS CA C 13 65.664 0.300 . 1 . . . . 44 CYS CA . 10149 1 478 . 1 1 44 44 CYS HA H 1 4.035 0.030 . 1 . . . . 44 CYS HA . 10149 1 479 . 1 1 44 44 CYS CB C 13 27.516 0.300 . 1 . . . . 44 CYS CB . 10149 1 480 . 1 1 44 44 CYS HB2 H 1 3.159 0.030 . 2 . . . . 44 CYS HB2 . 10149 1 481 . 1 1 44 44 CYS HB3 H 1 2.413 0.030 . 2 . . . . 44 CYS HB3 . 10149 1 482 . 1 1 44 44 CYS C C 13 176.222 0.300 . 1 . . . . 44 CYS C . 10149 1 483 . 1 1 45 45 ALA N N 15 121.778 0.300 . 1 . . . . 45 ALA N . 10149 1 484 . 1 1 45 45 ALA H H 1 8.435 0.030 . 1 . . . . 45 ALA H . 10149 1 485 . 1 1 45 45 ALA CA C 13 55.306 0.300 . 1 . . . . 45 ALA CA . 10149 1 486 . 1 1 45 45 ALA HA H 1 3.184 0.030 . 1 . . . . 45 ALA HA . 10149 1 487 . 1 1 45 45 ALA CB C 13 17.395 0.300 . 1 . . . . 45 ALA CB . 10149 1 488 . 1 1 45 45 ALA HB1 H 1 0.314 0.030 . 1 . . . . 45 ALA HB . 10149 1 489 . 1 1 45 45 ALA HB2 H 1 0.314 0.030 . 1 . . . . 45 ALA HB . 10149 1 490 . 1 1 45 45 ALA HB3 H 1 0.314 0.030 . 1 . . . . 45 ALA HB . 10149 1 491 . 1 1 45 45 ALA C C 13 177.510 0.300 . 1 . . . . 45 ALA C . 10149 1 492 . 1 1 46 46 ILE N N 15 116.463 0.300 . 1 . . . . 46 ILE N . 10149 1 493 . 1 1 46 46 ILE H H 1 7.527 0.030 . 1 . . . . 46 ILE H . 10149 1 494 . 1 1 46 46 ILE CA C 13 65.137 0.300 . 1 . . . . 46 ILE CA . 10149 1 495 . 1 1 46 46 ILE HA H 1 3.267 0.030 . 1 . . . . 46 ILE HA . 10149 1 496 . 1 1 46 46 ILE CB C 13 37.084 0.300 . 1 . . . . 46 ILE CB . 10149 1 497 . 1 1 46 46 ILE HB H 1 2.138 0.030 . 1 . . . . 46 ILE HB . 10149 1 498 . 1 1 46 46 ILE CG1 C 13 29.582 0.300 . 1 . . . . 46 ILE CG1 . 10149 1 499 . 1 1 46 46 ILE HG12 H 1 1.778 0.030 . 2 . . . . 46 ILE HG12 . 10149 1 500 . 1 1 46 46 ILE HG13 H 1 1.063 0.030 . 2 . . . . 46 ILE HG13 . 10149 1 501 . 1 1 46 46 ILE CG2 C 13 17.064 0.300 . 1 . . . . 46 ILE CG2 . 10149 1 502 . 1 1 46 46 ILE HG21 H 1 1.053 0.030 . 1 . . . . 46 ILE HG2 . 10149 1 503 . 1 1 46 46 ILE HG22 H 1 1.053 0.030 . 1 . . . . 46 ILE HG2 . 10149 1 504 . 1 1 46 46 ILE HG23 H 1 1.053 0.030 . 1 . . . . 46 ILE HG2 . 10149 1 505 . 1 1 46 46 ILE CD1 C 13 13.119 0.300 . 1 . . . . 46 ILE CD1 . 10149 1 506 . 1 1 46 46 ILE HD11 H 1 0.963 0.030 . 1 . . . . 46 ILE HD1 . 10149 1 507 . 1 1 46 46 ILE HD12 H 1 0.963 0.030 . 1 . . . . 46 ILE HD1 . 10149 1 508 . 1 1 46 46 ILE HD13 H 1 0.963 0.030 . 1 . . . . 46 ILE HD1 . 10149 1 509 . 1 1 46 46 ILE C C 13 176.744 0.300 . 1 . . . . 46 ILE C . 10149 1 510 . 1 1 47 47 ILE N N 15 115.676 0.300 . 1 . . . . 47 ILE N . 10149 1 511 . 1 1 47 47 ILE H H 1 7.786 0.030 . 1 . . . . 47 ILE H . 10149 1 512 . 1 1 47 47 ILE CA C 13 66.948 0.300 . 1 . . . . 47 ILE CA . 10149 1 513 . 1 1 47 47 ILE HA H 1 3.754 0.030 . 1 . . . . 47 ILE HA . 10149 1 514 . 1 1 47 47 ILE CB C 13 38.335 0.300 . 1 . . . . 47 ILE CB . 10149 1 515 . 1 1 47 47 ILE HB H 1 2.026 0.030 . 1 . . . . 47 ILE HB . 10149 1 516 . 1 1 47 47 ILE CG1 C 13 30.453 0.300 . 1 . . . . 47 ILE CG1 . 10149 1 517 . 1 1 47 47 ILE HG12 H 1 2.331 0.030 . 2 . . . . 47 ILE HG12 . 10149 1 518 . 1 1 47 47 ILE HG13 H 1 1.271 0.030 . 2 . . . . 47 ILE HG13 . 10149 1 519 . 1 1 47 47 ILE CG2 C 13 18.109 0.300 . 1 . . . . 47 ILE CG2 . 10149 1 520 . 1 1 47 47 ILE HG21 H 1 1.181 0.030 . 1 . . . . 47 ILE HG2 . 10149 1 521 . 1 1 47 47 ILE HG22 H 1 1.181 0.030 . 1 . . . . 47 ILE HG2 . 10149 1 522 . 1 1 47 47 ILE HG23 H 1 1.181 0.030 . 1 . . . . 47 ILE HG2 . 10149 1 523 . 1 1 47 47 ILE CD1 C 13 14.900 0.300 . 1 . . . . 47 ILE CD1 . 10149 1 524 . 1 1 47 47 ILE HD11 H 1 1.202 0.030 . 1 . . . . 47 ILE HD1 . 10149 1 525 . 1 1 47 47 ILE HD12 H 1 1.202 0.030 . 1 . . . . 47 ILE HD1 . 10149 1 526 . 1 1 47 47 ILE HD13 H 1 1.202 0.030 . 1 . . . . 47 ILE HD1 . 10149 1 527 . 1 1 47 47 ILE C C 13 176.853 0.300 . 1 . . . . 47 ILE C . 10149 1 528 . 1 1 48 48 HIS N N 15 120.066 0.300 . 1 . . . . 48 HIS N . 10149 1 529 . 1 1 48 48 HIS H H 1 8.569 0.030 . 1 . . . . 48 HIS H . 10149 1 530 . 1 1 48 48 HIS CA C 13 60.767 0.300 . 1 . . . . 48 HIS CA . 10149 1 531 . 1 1 48 48 HIS HA H 1 3.918 0.030 . 1 . . . . 48 HIS HA . 10149 1 532 . 1 1 48 48 HIS CB C 13 31.245 0.300 . 1 . . . . 48 HIS CB . 10149 1 533 . 1 1 48 48 HIS HB2 H 1 3.212 0.030 . 1 . . . . 48 HIS HB2 . 10149 1 534 . 1 1 48 48 HIS HB3 H 1 3.212 0.030 . 1 . . . . 48 HIS HB3 . 10149 1 535 . 1 1 48 48 HIS CD2 C 13 119.051 0.300 . 1 . . . . 48 HIS CD2 . 10149 1 536 . 1 1 48 48 HIS HD2 H 1 8.393 0.030 . 1 . . . . 48 HIS HD2 . 10149 1 537 . 1 1 48 48 HIS CE1 C 13 137.685 0.300 . 1 . . . . 48 HIS CE1 . 10149 1 538 . 1 1 48 48 HIS HE1 H 1 7.698 0.030 . 1 . . . . 48 HIS HE1 . 10149 1 539 . 1 1 48 48 HIS C C 13 175.841 0.300 . 1 . . . . 48 HIS C . 10149 1 540 . 1 1 49 49 ARG N N 15 118.781 0.300 . 1 . . . . 49 ARG N . 10149 1 541 . 1 1 49 49 ARG H H 1 8.572 0.030 . 1 . . . . 49 ARG H . 10149 1 542 . 1 1 49 49 ARG CA C 13 58.152 0.300 . 1 . . . . 49 ARG CA . 10149 1 543 . 1 1 49 49 ARG HA H 1 3.680 0.030 . 1 . . . . 49 ARG HA . 10149 1 544 . 1 1 49 49 ARG CB C 13 28.454 0.300 . 1 . . . . 49 ARG CB . 10149 1 545 . 1 1 49 49 ARG HB2 H 1 1.973 0.030 . 2 . . . . 49 ARG HB2 . 10149 1 546 . 1 1 49 49 ARG HB3 H 1 1.661 0.030 . 2 . . . . 49 ARG HB3 . 10149 1 547 . 1 1 49 49 ARG CG C 13 26.065 0.300 . 1 . . . . 49 ARG CG . 10149 1 548 . 1 1 49 49 ARG HG2 H 1 1.213 0.030 . 2 . . . . 49 ARG HG2 . 10149 1 549 . 1 1 49 49 ARG HG3 H 1 0.743 0.030 . 2 . . . . 49 ARG HG3 . 10149 1 550 . 1 1 49 49 ARG CD C 13 42.632 0.300 . 1 . . . . 49 ARG CD . 10149 1 551 . 1 1 49 49 ARG HD2 H 1 2.908 0.030 . 1 . . . . 49 ARG HD2 . 10149 1 552 . 1 1 49 49 ARG HD3 H 1 2.908 0.030 . 1 . . . . 49 ARG HD3 . 10149 1 553 . 1 1 49 49 ARG NE N 15 85.630 0.300 . 1 . . . . 49 ARG NE . 10149 1 554 . 1 1 49 49 ARG HE H 1 7.191 0.030 . 1 . . . . 49 ARG HE . 10149 1 555 . 1 1 49 49 ARG C C 13 177.830 0.300 . 1 . . . . 49 ARG C . 10149 1 556 . 1 1 50 50 PHE N N 15 113.909 0.300 . 1 . . . . 50 PHE N . 10149 1 557 . 1 1 50 50 PHE H H 1 6.900 0.030 . 1 . . . . 50 PHE H . 10149 1 558 . 1 1 50 50 PHE CA C 13 59.885 0.300 . 1 . . . . 50 PHE CA . 10149 1 559 . 1 1 50 50 PHE HA H 1 4.281 0.030 . 1 . . . . 50 PHE HA . 10149 1 560 . 1 1 50 50 PHE CB C 13 41.527 0.300 . 1 . . . . 50 PHE CB . 10149 1 561 . 1 1 50 50 PHE HB2 H 1 2.722 0.030 . 2 . . . . 50 PHE HB2 . 10149 1 562 . 1 1 50 50 PHE HB3 H 1 1.845 0.030 . 2 . . . . 50 PHE HB3 . 10149 1 563 . 1 1 50 50 PHE CD1 C 13 132.421 0.300 . 1 . . . . 50 PHE CD1 . 10149 1 564 . 1 1 50 50 PHE HD1 H 1 7.129 0.030 . 1 . . . . 50 PHE HD1 . 10149 1 565 . 1 1 50 50 PHE CD2 C 13 132.421 0.300 . 1 . . . . 50 PHE CD2 . 10149 1 566 . 1 1 50 50 PHE HD2 H 1 7.129 0.030 . 1 . . . . 50 PHE HD2 . 10149 1 567 . 1 1 50 50 PHE CE1 C 13 130.538 0.300 . 1 . . . . 50 PHE CE1 . 10149 1 568 . 1 1 50 50 PHE HE1 H 1 7.085 0.030 . 1 . . . . 50 PHE HE1 . 10149 1 569 . 1 1 50 50 PHE CE2 C 13 130.538 0.300 . 1 . . . . 50 PHE CE2 . 10149 1 570 . 1 1 50 50 PHE HE2 H 1 7.085 0.030 . 1 . . . . 50 PHE HE2 . 10149 1 571 . 1 1 50 50 PHE CZ C 13 129.654 0.300 . 1 . . . . 50 PHE CZ . 10149 1 572 . 1 1 50 50 PHE HZ H 1 7.139 0.030 . 1 . . . . 50 PHE HZ . 10149 1 573 . 1 1 50 50 PHE C C 13 176.867 0.300 . 1 . . . . 50 PHE C . 10149 1 574 . 1 1 51 51 ARG N N 15 120.652 0.300 . 1 . . . . 51 ARG N . 10149 1 575 . 1 1 51 51 ARG H H 1 9.059 0.030 . 1 . . . . 51 ARG H . 10149 1 576 . 1 1 51 51 ARG CA C 13 51.499 0.300 . 1 . . . . 51 ARG CA . 10149 1 577 . 1 1 51 51 ARG HA H 1 4.942 0.030 . 1 . . . . 51 ARG HA . 10149 1 578 . 1 1 51 51 ARG CB C 13 30.307 0.300 . 1 . . . . 51 ARG CB . 10149 1 579 . 1 1 51 51 ARG HB2 H 1 1.863 0.030 . 2 . . . . 51 ARG HB2 . 10149 1 580 . 1 1 51 51 ARG HB3 H 1 2.061 0.030 . 2 . . . . 51 ARG HB3 . 10149 1 581 . 1 1 51 51 ARG CG C 13 25.915 0.300 . 1 . . . . 51 ARG CG . 10149 1 582 . 1 1 51 51 ARG HG2 H 1 2.002 0.030 . 2 . . . . 51 ARG HG2 . 10149 1 583 . 1 1 51 51 ARG HG3 H 1 1.548 0.030 . 2 . . . . 51 ARG HG3 . 10149 1 584 . 1 1 51 51 ARG CD C 13 41.411 0.300 . 1 . . . . 51 ARG CD . 10149 1 585 . 1 1 51 51 ARG HD2 H 1 3.536 0.030 . 2 . . . . 51 ARG HD2 . 10149 1 586 . 1 1 51 51 ARG HD3 H 1 3.611 0.030 . 2 . . . . 51 ARG HD3 . 10149 1 587 . 1 1 51 51 ARG NE N 15 84.172 0.300 . 1 . . . . 51 ARG NE . 10149 1 588 . 1 1 51 51 ARG HE H 1 8.356 0.030 . 1 . . . . 51 ARG HE . 10149 1 589 . 1 1 51 51 ARG C C 13 172.670 0.300 . 1 . . . . 51 ARG C . 10149 1 590 . 1 1 52 52 PRO CA C 13 64.948 0.300 . 1 . . . . 52 PRO CA . 10149 1 591 . 1 1 52 52 PRO HA H 1 4.343 0.030 . 1 . . . . 52 PRO HA . 10149 1 592 . 1 1 52 52 PRO CB C 13 31.091 0.300 . 1 . . . . 52 PRO CB . 10149 1 593 . 1 1 52 52 PRO HB2 H 1 1.657 0.030 . 2 . . . . 52 PRO HB2 . 10149 1 594 . 1 1 52 52 PRO HB3 H 1 1.792 0.030 . 2 . . . . 52 PRO HB3 . 10149 1 595 . 1 1 52 52 PRO CG C 13 27.022 0.300 . 1 . . . . 52 PRO CG . 10149 1 596 . 1 1 52 52 PRO HG2 H 1 1.869 0.030 . 1 . . . . 52 PRO HG2 . 10149 1 597 . 1 1 52 52 PRO HG3 H 1 1.869 0.030 . 1 . . . . 52 PRO HG3 . 10149 1 598 . 1 1 52 52 PRO CD C 13 49.967 0.300 . 1 . . . . 52 PRO CD . 10149 1 599 . 1 1 52 52 PRO HD2 H 1 3.207 0.030 . 2 . . . . 52 PRO HD2 . 10149 1 600 . 1 1 52 52 PRO HD3 H 1 3.673 0.030 . 2 . . . . 52 PRO HD3 . 10149 1 601 . 1 1 52 52 PRO C C 13 177.406 0.300 . 1 . . . . 52 PRO C . 10149 1 602 . 1 1 53 53 GLU N N 15 118.219 0.300 . 1 . . . . 53 GLU N . 10149 1 603 . 1 1 53 53 GLU H H 1 9.784 0.030 . 1 . . . . 53 GLU H . 10149 1 604 . 1 1 53 53 GLU CA C 13 57.285 0.300 . 1 . . . . 53 GLU CA . 10149 1 605 . 1 1 53 53 GLU HA H 1 4.322 0.030 . 1 . . . . 53 GLU HA . 10149 1 606 . 1 1 53 53 GLU CB C 13 27.771 0.300 . 1 . . . . 53 GLU CB . 10149 1 607 . 1 1 53 53 GLU HB2 H 1 2.046 0.030 . 1 . . . . 53 GLU HB2 . 10149 1 608 . 1 1 53 53 GLU HB3 H 1 2.046 0.030 . 1 . . . . 53 GLU HB3 . 10149 1 609 . 1 1 53 53 GLU CG C 13 35.627 0.300 . 1 . . . . 53 GLU CG . 10149 1 610 . 1 1 53 53 GLU HG2 H 1 2.482 0.030 . 2 . . . . 53 GLU HG2 . 10149 1 611 . 1 1 53 53 GLU HG3 H 1 2.064 0.030 . 2 . . . . 53 GLU HG3 . 10149 1 612 . 1 1 53 53 GLU C C 13 177.957 0.300 . 1 . . . . 53 GLU C . 10149 1 613 . 1 1 54 54 LEU N N 15 119.316 0.300 . 1 . . . . 54 LEU N . 10149 1 614 . 1 1 54 54 LEU H H 1 8.212 0.030 . 1 . . . . 54 LEU H . 10149 1 615 . 1 1 54 54 LEU CA C 13 55.943 0.300 . 1 . . . . 54 LEU CA . 10149 1 616 . 1 1 54 54 LEU HA H 1 4.337 0.030 . 1 . . . . 54 LEU HA . 10149 1 617 . 1 1 54 54 LEU CB C 13 43.122 0.300 . 1 . . . . 54 LEU CB . 10149 1 618 . 1 1 54 54 LEU HB2 H 1 2.049 0.030 . 2 . . . . 54 LEU HB2 . 10149 1 619 . 1 1 54 54 LEU HB3 H 1 1.451 0.030 . 2 . . . . 54 LEU HB3 . 10149 1 620 . 1 1 54 54 LEU CG C 13 27.200 0.300 . 1 . . . . 54 LEU CG . 10149 1 621 . 1 1 54 54 LEU HG H 1 1.658 0.030 . 1 . . . . 54 LEU HG . 10149 1 622 . 1 1 54 54 LEU CD1 C 13 26.572 0.300 . 2 . . . . 54 LEU CD1 . 10149 1 623 . 1 1 54 54 LEU HD11 H 1 0.883 0.030 . 1 . . . . 54 LEU HD1 . 10149 1 624 . 1 1 54 54 LEU HD12 H 1 0.883 0.030 . 1 . . . . 54 LEU HD1 . 10149 1 625 . 1 1 54 54 LEU HD13 H 1 0.883 0.030 . 1 . . . . 54 LEU HD1 . 10149 1 626 . 1 1 54 54 LEU CD2 C 13 22.131 0.300 . 2 . . . . 54 LEU CD2 . 10149 1 627 . 1 1 54 54 LEU HD21 H 1 0.826 0.030 . 1 . . . . 54 LEU HD2 . 10149 1 628 . 1 1 54 54 LEU HD22 H 1 0.826 0.030 . 1 . . . . 54 LEU HD2 . 10149 1 629 . 1 1 54 54 LEU HD23 H 1 0.826 0.030 . 1 . . . . 54 LEU HD2 . 10149 1 630 . 1 1 54 54 LEU C C 13 177.159 0.300 . 1 . . . . 54 LEU C . 10149 1 631 . 1 1 55 55 ILE N N 15 115.493 0.300 . 1 . . . . 55 ILE N . 10149 1 632 . 1 1 55 55 ILE H H 1 6.990 0.030 . 1 . . . . 55 ILE H . 10149 1 633 . 1 1 55 55 ILE CA C 13 59.645 0.300 . 1 . . . . 55 ILE CA . 10149 1 634 . 1 1 55 55 ILE HA H 1 4.230 0.030 . 1 . . . . 55 ILE HA . 10149 1 635 . 1 1 55 55 ILE CB C 13 43.159 0.300 . 1 . . . . 55 ILE CB . 10149 1 636 . 1 1 55 55 ILE HB H 1 1.829 0.030 . 1 . . . . 55 ILE HB . 10149 1 637 . 1 1 55 55 ILE CG1 C 13 27.549 0.300 . 1 . . . . 55 ILE CG1 . 10149 1 638 . 1 1 55 55 ILE HG12 H 1 1.651 0.030 . 2 . . . . 55 ILE HG12 . 10149 1 639 . 1 1 55 55 ILE HG13 H 1 1.254 0.030 . 2 . . . . 55 ILE HG13 . 10149 1 640 . 1 1 55 55 ILE CG2 C 13 16.440 0.300 . 1 . . . . 55 ILE CG2 . 10149 1 641 . 1 1 55 55 ILE HG21 H 1 0.876 0.030 . 1 . . . . 55 ILE HG2 . 10149 1 642 . 1 1 55 55 ILE HG22 H 1 0.876 0.030 . 1 . . . . 55 ILE HG2 . 10149 1 643 . 1 1 55 55 ILE HG23 H 1 0.876 0.030 . 1 . . . . 55 ILE HG2 . 10149 1 644 . 1 1 55 55 ILE CD1 C 13 13.374 0.300 . 1 . . . . 55 ILE CD1 . 10149 1 645 . 1 1 55 55 ILE HD11 H 1 1.016 0.030 . 1 . . . . 55 ILE HD1 . 10149 1 646 . 1 1 55 55 ILE HD12 H 1 1.016 0.030 . 1 . . . . 55 ILE HD1 . 10149 1 647 . 1 1 55 55 ILE HD13 H 1 1.016 0.030 . 1 . . . . 55 ILE HD1 . 10149 1 648 . 1 1 55 55 ILE C C 13 173.302 0.300 . 1 . . . . 55 ILE C . 10149 1 649 . 1 1 56 56 ASN N N 15 124.568 0.300 . 1 . . . . 56 ASN N . 10149 1 650 . 1 1 56 56 ASN H H 1 8.984 0.030 . 1 . . . . 56 ASN H . 10149 1 651 . 1 1 56 56 ASN CA C 13 51.198 0.300 . 1 . . . . 56 ASN CA . 10149 1 652 . 1 1 56 56 ASN HA H 1 5.100 0.030 . 1 . . . . 56 ASN HA . 10149 1 653 . 1 1 56 56 ASN CB C 13 36.452 0.300 . 1 . . . . 56 ASN CB . 10149 1 654 . 1 1 56 56 ASN HB2 H 1 2.978 0.030 . 2 . . . . 56 ASN HB2 . 10149 1 655 . 1 1 56 56 ASN HB3 H 1 2.764 0.030 . 2 . . . . 56 ASN HB3 . 10149 1 656 . 1 1 56 56 ASN ND2 N 15 111.138 0.300 . 1 . . . . 56 ASN ND2 . 10149 1 657 . 1 1 56 56 ASN HD21 H 1 6.936 0.030 . 2 . . . . 56 ASN HD21 . 10149 1 658 . 1 1 56 56 ASN HD22 H 1 7.671 0.030 . 2 . . . . 56 ASN HD22 . 10149 1 659 . 1 1 56 56 ASN C C 13 175.902 0.300 . 1 . . . . 56 ASN C . 10149 1 660 . 1 1 57 57 PHE N N 15 126.548 0.300 . 1 . . . . 57 PHE N . 10149 1 661 . 1 1 57 57 PHE H H 1 7.219 0.030 . 1 . . . . 57 PHE H . 10149 1 662 . 1 1 57 57 PHE CA C 13 62.399 0.300 . 1 . . . . 57 PHE CA . 10149 1 663 . 1 1 57 57 PHE HA H 1 3.514 0.030 . 1 . . . . 57 PHE HA . 10149 1 664 . 1 1 57 57 PHE CB C 13 39.553 0.300 . 1 . . . . 57 PHE CB . 10149 1 665 . 1 1 57 57 PHE HB2 H 1 2.364 0.030 . 2 . . . . 57 PHE HB2 . 10149 1 666 . 1 1 57 57 PHE HB3 H 1 2.496 0.030 . 2 . . . . 57 PHE HB3 . 10149 1 667 . 1 1 57 57 PHE CD1 C 13 131.581 0.300 . 1 . . . . 57 PHE CD1 . 10149 1 668 . 1 1 57 57 PHE HD1 H 1 6.823 0.030 . 1 . . . . 57 PHE HD1 . 10149 1 669 . 1 1 57 57 PHE CD2 C 13 131.581 0.300 . 1 . . . . 57 PHE CD2 . 10149 1 670 . 1 1 57 57 PHE HD2 H 1 6.823 0.030 . 1 . . . . 57 PHE HD2 . 10149 1 671 . 1 1 57 57 PHE CE1 C 13 132.310 0.300 . 1 . . . . 57 PHE CE1 . 10149 1 672 . 1 1 57 57 PHE HE1 H 1 7.492 0.030 . 1 . . . . 57 PHE HE1 . 10149 1 673 . 1 1 57 57 PHE CE2 C 13 132.310 0.300 . 1 . . . . 57 PHE CE2 . 10149 1 674 . 1 1 57 57 PHE HE2 H 1 7.492 0.030 . 1 . . . . 57 PHE HE2 . 10149 1 675 . 1 1 57 57 PHE CZ C 13 130.497 0.300 . 1 . . . . 57 PHE CZ . 10149 1 676 . 1 1 57 57 PHE HZ H 1 7.418 0.030 . 1 . . . . 57 PHE HZ . 10149 1 677 . 1 1 57 57 PHE C C 13 176.597 0.300 . 1 . . . . 57 PHE C . 10149 1 678 . 1 1 58 58 ASP N N 15 116.755 0.300 . 1 . . . . 58 ASP N . 10149 1 679 . 1 1 58 58 ASP H H 1 8.691 0.030 . 1 . . . . 58 ASP H . 10149 1 680 . 1 1 58 58 ASP CA C 13 56.635 0.300 . 1 . . . . 58 ASP CA . 10149 1 681 . 1 1 58 58 ASP HA H 1 4.324 0.030 . 1 . . . . 58 ASP HA . 10149 1 682 . 1 1 58 58 ASP CB C 13 40.262 0.300 . 1 . . . . 58 ASP CB . 10149 1 683 . 1 1 58 58 ASP HB2 H 1 2.649 0.030 . 2 . . . . 58 ASP HB2 . 10149 1 684 . 1 1 58 58 ASP HB3 H 1 2.721 0.030 . 2 . . . . 58 ASP HB3 . 10149 1 685 . 1 1 58 58 ASP C C 13 176.562 0.300 . 1 . . . . 58 ASP C . 10149 1 686 . 1 1 59 59 SER N N 15 112.320 0.300 . 1 . . . . 59 SER N . 10149 1 687 . 1 1 59 59 SER H H 1 7.412 0.030 . 1 . . . . 59 SER H . 10149 1 688 . 1 1 59 59 SER CA C 13 58.740 0.300 . 1 . . . . 59 SER CA . 10149 1 689 . 1 1 59 59 SER HA H 1 4.365 0.030 . 1 . . . . 59 SER HA . 10149 1 690 . 1 1 59 59 SER CB C 13 64.598 0.300 . 1 . . . . 59 SER CB . 10149 1 691 . 1 1 59 59 SER HB2 H 1 3.909 0.030 . 2 . . . . 59 SER HB2 . 10149 1 692 . 1 1 59 59 SER HB3 H 1 3.788 0.030 . 2 . . . . 59 SER HB3 . 10149 1 693 . 1 1 59 59 SER C C 13 174.309 0.300 . 1 . . . . 59 SER C . 10149 1 694 . 1 1 60 60 LEU N N 15 121.693 0.300 . 1 . . . . 60 LEU N . 10149 1 695 . 1 1 60 60 LEU H H 1 7.176 0.030 . 1 . . . . 60 LEU H . 10149 1 696 . 1 1 60 60 LEU CA C 13 54.593 0.300 . 1 . . . . 60 LEU CA . 10149 1 697 . 1 1 60 60 LEU HA H 1 4.196 0.030 . 1 . . . . 60 LEU HA . 10149 1 698 . 1 1 60 60 LEU CB C 13 40.943 0.300 . 1 . . . . 60 LEU CB . 10149 1 699 . 1 1 60 60 LEU HB2 H 1 1.159 0.030 . 2 . . . . 60 LEU HB2 . 10149 1 700 . 1 1 60 60 LEU HB3 H 1 0.856 0.030 . 2 . . . . 60 LEU HB3 . 10149 1 701 . 1 1 60 60 LEU CG C 13 25.735 0.300 . 1 . . . . 60 LEU CG . 10149 1 702 . 1 1 60 60 LEU HG H 1 1.559 0.030 . 1 . . . . 60 LEU HG . 10149 1 703 . 1 1 60 60 LEU CD1 C 13 26.959 0.300 . 2 . . . . 60 LEU CD1 . 10149 1 704 . 1 1 60 60 LEU HD11 H 1 0.432 0.030 . 1 . . . . 60 LEU HD1 . 10149 1 705 . 1 1 60 60 LEU HD12 H 1 0.432 0.030 . 1 . . . . 60 LEU HD1 . 10149 1 706 . 1 1 60 60 LEU HD13 H 1 0.432 0.030 . 1 . . . . 60 LEU HD1 . 10149 1 707 . 1 1 60 60 LEU CD2 C 13 20.840 0.300 . 2 . . . . 60 LEU CD2 . 10149 1 708 . 1 1 60 60 LEU HD21 H 1 0.573 0.030 . 1 . . . . 60 LEU HD2 . 10149 1 709 . 1 1 60 60 LEU HD22 H 1 0.573 0.030 . 1 . . . . 60 LEU HD2 . 10149 1 710 . 1 1 60 60 LEU HD23 H 1 0.573 0.030 . 1 . . . . 60 LEU HD2 . 10149 1 711 . 1 1 60 60 LEU C C 13 176.774 0.300 . 1 . . . . 60 LEU C . 10149 1 712 . 1 1 61 61 ASN N N 15 121.648 0.300 . 1 . . . . 61 ASN N . 10149 1 713 . 1 1 61 61 ASN H H 1 9.391 0.030 . 1 . . . . 61 ASN H . 10149 1 714 . 1 1 61 61 ASN CA C 13 51.763 0.300 . 1 . . . . 61 ASN CA . 10149 1 715 . 1 1 61 61 ASN HA H 1 4.721 0.030 . 1 . . . . 61 ASN HA . 10149 1 716 . 1 1 61 61 ASN CB C 13 40.025 0.300 . 1 . . . . 61 ASN CB . 10149 1 717 . 1 1 61 61 ASN HB2 H 1 2.872 0.030 . 2 . . . . 61 ASN HB2 . 10149 1 718 . 1 1 61 61 ASN HB3 H 1 2.669 0.030 . 2 . . . . 61 ASN HB3 . 10149 1 719 . 1 1 61 61 ASN ND2 N 15 113.978 0.300 . 1 . . . . 61 ASN ND2 . 10149 1 720 . 1 1 61 61 ASN HD21 H 1 7.656 0.030 . 2 . . . . 61 ASN HD21 . 10149 1 721 . 1 1 61 61 ASN HD22 H 1 6.945 0.030 . 2 . . . . 61 ASN HD22 . 10149 1 722 . 1 1 61 61 ASN C C 13 176.599 0.300 . 1 . . . . 61 ASN C . 10149 1 723 . 1 1 62 62 GLU N N 15 126.707 0.300 . 1 . . . . 62 GLU N . 10149 1 724 . 1 1 62 62 GLU H H 1 9.255 0.030 . 1 . . . . 62 GLU H . 10149 1 725 . 1 1 62 62 GLU CA C 13 58.926 0.300 . 1 . . . . 62 GLU CA . 10149 1 726 . 1 1 62 62 GLU HA H 1 3.688 0.030 . 1 . . . . 62 GLU HA . 10149 1 727 . 1 1 62 62 GLU CB C 13 29.479 0.300 . 1 . . . . 62 GLU CB . 10149 1 728 . 1 1 62 62 GLU HB2 H 1 1.709 0.030 . 1 . . . . 62 GLU HB2 . 10149 1 729 . 1 1 62 62 GLU HB3 H 1 1.709 0.030 . 1 . . . . 62 GLU HB3 . 10149 1 730 . 1 1 62 62 GLU CG C 13 35.322 0.300 . 1 . . . . 62 GLU CG . 10149 1 731 . 1 1 62 62 GLU HG2 H 1 1.966 0.030 . 2 . . . . 62 GLU HG2 . 10149 1 732 . 1 1 62 62 GLU HG3 H 1 2.083 0.030 . 2 . . . . 62 GLU HG3 . 10149 1 733 . 1 1 62 62 GLU C C 13 176.196 0.300 . 1 . . . . 62 GLU C . 10149 1 734 . 1 1 63 63 ASP N N 15 116.763 0.300 . 1 . . . . 63 ASP N . 10149 1 735 . 1 1 63 63 ASP H H 1 8.317 0.030 . 1 . . . . 63 ASP H . 10149 1 736 . 1 1 63 63 ASP CA C 13 55.499 0.300 . 1 . . . . 63 ASP CA . 10149 1 737 . 1 1 63 63 ASP HA H 1 4.509 0.030 . 1 . . . . 63 ASP HA . 10149 1 738 . 1 1 63 63 ASP CB C 13 40.697 0.300 . 1 . . . . 63 ASP CB . 10149 1 739 . 1 1 63 63 ASP HB2 H 1 2.709 0.030 . 2 . . . . 63 ASP HB2 . 10149 1 740 . 1 1 63 63 ASP HB3 H 1 2.442 0.030 . 2 . . . . 63 ASP HB3 . 10149 1 741 . 1 1 63 63 ASP C C 13 177.195 0.300 . 1 . . . . 63 ASP C . 10149 1 742 . 1 1 64 64 ASP N N 15 123.036 0.300 . 1 . . . . 64 ASP N . 10149 1 743 . 1 1 64 64 ASP H H 1 7.422 0.030 . 1 . . . . 64 ASP H . 10149 1 744 . 1 1 64 64 ASP CA C 13 52.760 0.300 . 1 . . . . 64 ASP CA . 10149 1 745 . 1 1 64 64 ASP HA H 1 4.949 0.030 . 1 . . . . 64 ASP HA . 10149 1 746 . 1 1 64 64 ASP CB C 13 38.920 0.300 . 1 . . . . 64 ASP CB . 10149 1 747 . 1 1 64 64 ASP HB2 H 1 2.589 0.030 . 2 . . . . 64 ASP HB2 . 10149 1 748 . 1 1 64 64 ASP HB3 H 1 3.017 0.030 . 2 . . . . 64 ASP HB3 . 10149 1 749 . 1 1 64 64 ASP C C 13 174.979 0.300 . 1 . . . . 64 ASP C . 10149 1 750 . 1 1 65 65 ALA N N 15 123.411 0.300 . 1 . . . . 65 ALA N . 10149 1 751 . 1 1 65 65 ALA H H 1 7.527 0.030 . 1 . . . . 65 ALA H . 10149 1 752 . 1 1 65 65 ALA CA C 13 55.750 0.300 . 1 . . . . 65 ALA CA . 10149 1 753 . 1 1 65 65 ALA HA H 1 4.295 0.030 . 1 . . . . 65 ALA HA . 10149 1 754 . 1 1 65 65 ALA CB C 13 19.889 0.300 . 1 . . . . 65 ALA CB . 10149 1 755 . 1 1 65 65 ALA HB1 H 1 1.502 0.030 . 1 . . . . 65 ALA HB . 10149 1 756 . 1 1 65 65 ALA HB2 H 1 1.502 0.030 . 1 . . . . 65 ALA HB . 10149 1 757 . 1 1 65 65 ALA HB3 H 1 1.502 0.030 . 1 . . . . 65 ALA HB . 10149 1 758 . 1 1 65 65 ALA C C 13 181.114 0.300 . 1 . . . . 65 ALA C . 10149 1 759 . 1 1 66 66 VAL N N 15 119.151 0.300 . 1 . . . . 66 VAL N . 10149 1 760 . 1 1 66 66 VAL H H 1 8.305 0.030 . 1 . . . . 66 VAL H . 10149 1 761 . 1 1 66 66 VAL CA C 13 67.423 0.300 . 1 . . . . 66 VAL CA . 10149 1 762 . 1 1 66 66 VAL HA H 1 3.292 0.030 . 1 . . . . 66 VAL HA . 10149 1 763 . 1 1 66 66 VAL CB C 13 31.418 0.300 . 1 . . . . 66 VAL CB . 10149 1 764 . 1 1 66 66 VAL HB H 1 1.958 0.030 . 1 . . . . 66 VAL HB . 10149 1 765 . 1 1 66 66 VAL CG1 C 13 21.065 0.300 . 2 . . . . 66 VAL CG1 . 10149 1 766 . 1 1 66 66 VAL HG11 H 1 0.797 0.030 . 1 . . . . 66 VAL HG1 . 10149 1 767 . 1 1 66 66 VAL HG12 H 1 0.797 0.030 . 1 . . . . 66 VAL HG1 . 10149 1 768 . 1 1 66 66 VAL HG13 H 1 0.797 0.030 . 1 . . . . 66 VAL HG1 . 10149 1 769 . 1 1 66 66 VAL CG2 C 13 23.473 0.300 . 2 . . . . 66 VAL CG2 . 10149 1 770 . 1 1 66 66 VAL HG21 H 1 1.025 0.030 . 1 . . . . 66 VAL HG2 . 10149 1 771 . 1 1 66 66 VAL HG22 H 1 1.025 0.030 . 1 . . . . 66 VAL HG2 . 10149 1 772 . 1 1 66 66 VAL HG23 H 1 1.025 0.030 . 1 . . . . 66 VAL HG2 . 10149 1 773 . 1 1 66 66 VAL C C 13 177.471 0.300 . 1 . . . . 66 VAL C . 10149 1 774 . 1 1 67 67 GLU N N 15 117.895 0.300 . 1 . . . . 67 GLU N . 10149 1 775 . 1 1 67 67 GLU H H 1 8.256 0.030 . 1 . . . . 67 GLU H . 10149 1 776 . 1 1 67 67 GLU CA C 13 59.831 0.300 . 1 . . . . 67 GLU CA . 10149 1 777 . 1 1 67 67 GLU HA H 1 3.901 0.030 . 1 . . . . 67 GLU HA . 10149 1 778 . 1 1 67 67 GLU CB C 13 28.963 0.300 . 1 . . . . 67 GLU CB . 10149 1 779 . 1 1 67 67 GLU HB2 H 1 1.947 0.030 . 1 . . . . 67 GLU HB2 . 10149 1 780 . 1 1 67 67 GLU HB3 H 1 1.947 0.030 . 1 . . . . 67 GLU HB3 . 10149 1 781 . 1 1 67 67 GLU CG C 13 36.945 0.300 . 1 . . . . 67 GLU CG . 10149 1 782 . 1 1 67 67 GLU HG2 H 1 2.227 0.030 . 2 . . . . 67 GLU HG2 . 10149 1 783 . 1 1 67 67 GLU HG3 H 1 2.416 0.030 . 2 . . . . 67 GLU HG3 . 10149 1 784 . 1 1 67 67 GLU C C 13 179.796 0.300 . 1 . . . . 67 GLU C . 10149 1 785 . 1 1 68 68 ASN N N 15 119.611 0.300 . 1 . . . . 68 ASN N . 10149 1 786 . 1 1 68 68 ASN H H 1 9.019 0.030 . 1 . . . . 68 ASN H . 10149 1 787 . 1 1 68 68 ASN CA C 13 55.797 0.300 . 1 . . . . 68 ASN CA . 10149 1 788 . 1 1 68 68 ASN HA H 1 4.325 0.030 . 1 . . . . 68 ASN HA . 10149 1 789 . 1 1 68 68 ASN CB C 13 37.140 0.300 . 1 . . . . 68 ASN CB . 10149 1 790 . 1 1 68 68 ASN HB2 H 1 2.939 0.030 . 2 . . . . 68 ASN HB2 . 10149 1 791 . 1 1 68 68 ASN HB3 H 1 2.363 0.030 . 2 . . . . 68 ASN HB3 . 10149 1 792 . 1 1 68 68 ASN ND2 N 15 110.768 0.300 . 1 . . . . 68 ASN ND2 . 10149 1 793 . 1 1 68 68 ASN HD21 H 1 7.648 0.030 . 2 . . . . 68 ASN HD21 . 10149 1 794 . 1 1 68 68 ASN HD22 H 1 6.643 0.030 . 2 . . . . 68 ASN HD22 . 10149 1 795 . 1 1 68 68 ASN C C 13 177.193 0.300 . 1 . . . . 68 ASN C . 10149 1 796 . 1 1 69 69 ASN N N 15 115.555 0.300 . 1 . . . . 69 ASN N . 10149 1 797 . 1 1 69 69 ASN H H 1 7.589 0.030 . 1 . . . . 69 ASN H . 10149 1 798 . 1 1 69 69 ASN CA C 13 57.155 0.300 . 1 . . . . 69 ASN CA . 10149 1 799 . 1 1 69 69 ASN HA H 1 3.880 0.030 . 1 . . . . 69 ASN HA . 10149 1 800 . 1 1 69 69 ASN CB C 13 40.785 0.300 . 1 . . . . 69 ASN CB . 10149 1 801 . 1 1 69 69 ASN HB2 H 1 2.685 0.030 . 2 . . . . 69 ASN HB2 . 10149 1 802 . 1 1 69 69 ASN HB3 H 1 1.784 0.030 . 2 . . . . 69 ASN HB3 . 10149 1 803 . 1 1 69 69 ASN ND2 N 15 114.346 0.300 . 1 . . . . 69 ASN ND2 . 10149 1 804 . 1 1 69 69 ASN HD21 H 1 7.219 0.030 . 2 . . . . 69 ASN HD21 . 10149 1 805 . 1 1 69 69 ASN HD22 H 1 6.737 0.030 . 2 . . . . 69 ASN HD22 . 10149 1 806 . 1 1 69 69 ASN C C 13 175.062 0.300 . 1 . . . . 69 ASN C . 10149 1 807 . 1 1 70 70 GLN N N 15 115.794 0.300 . 1 . . . . 70 GLN N . 10149 1 808 . 1 1 70 70 GLN H H 1 8.058 0.030 . 1 . . . . 70 GLN H . 10149 1 809 . 1 1 70 70 GLN CA C 13 58.400 0.300 . 1 . . . . 70 GLN CA . 10149 1 810 . 1 1 70 70 GLN HA H 1 3.591 0.030 . 1 . . . . 70 GLN HA . 10149 1 811 . 1 1 70 70 GLN CB C 13 29.420 0.300 . 1 . . . . 70 GLN CB . 10149 1 812 . 1 1 70 70 GLN HB2 H 1 2.266 0.030 . 2 . . . . 70 GLN HB2 . 10149 1 813 . 1 1 70 70 GLN HB3 H 1 2.105 0.030 . 2 . . . . 70 GLN HB3 . 10149 1 814 . 1 1 70 70 GLN CG C 13 34.255 0.300 . 1 . . . . 70 GLN CG . 10149 1 815 . 1 1 70 70 GLN HG2 H 1 2.448 0.030 . 2 . . . . 70 GLN HG2 . 10149 1 816 . 1 1 70 70 GLN HG3 H 1 2.707 0.030 . 2 . . . . 70 GLN HG3 . 10149 1 817 . 1 1 70 70 GLN NE2 N 15 121.959 0.300 . 1 . . . . 70 GLN NE2 . 10149 1 818 . 1 1 70 70 GLN HE21 H 1 7.939 0.030 . 2 . . . . 70 GLN HE21 . 10149 1 819 . 1 1 70 70 GLN HE22 H 1 8.659 0.030 . 2 . . . . 70 GLN HE22 . 10149 1 820 . 1 1 70 70 GLN C C 13 176.954 0.300 . 1 . . . . 70 GLN C . 10149 1 821 . 1 1 71 71 LEU N N 15 118.631 0.300 . 1 . . . . 71 LEU N . 10149 1 822 . 1 1 71 71 LEU H H 1 8.090 0.030 . 1 . . . . 71 LEU H . 10149 1 823 . 1 1 71 71 LEU CA C 13 58.121 0.300 . 1 . . . . 71 LEU CA . 10149 1 824 . 1 1 71 71 LEU HA H 1 4.291 0.030 . 1 . . . . 71 LEU HA . 10149 1 825 . 1 1 71 71 LEU CB C 13 42.100 0.300 . 1 . . . . 71 LEU CB . 10149 1 826 . 1 1 71 71 LEU HB2 H 1 1.997 0.030 . 2 . . . . 71 LEU HB2 . 10149 1 827 . 1 1 71 71 LEU HB3 H 1 1.641 0.030 . 2 . . . . 71 LEU HB3 . 10149 1 828 . 1 1 71 71 LEU CG C 13 26.972 0.300 . 1 . . . . 71 LEU CG . 10149 1 829 . 1 1 71 71 LEU HG H 1 1.474 0.030 . 1 . . . . 71 LEU HG . 10149 1 830 . 1 1 71 71 LEU CD1 C 13 23.315 0.300 . 2 . . . . 71 LEU CD1 . 10149 1 831 . 1 1 71 71 LEU HD11 H 1 1.008 0.030 . 1 . . . . 71 LEU HD1 . 10149 1 832 . 1 1 71 71 LEU HD12 H 1 1.008 0.030 . 1 . . . . 71 LEU HD1 . 10149 1 833 . 1 1 71 71 LEU HD13 H 1 1.008 0.030 . 1 . . . . 71 LEU HD1 . 10149 1 834 . 1 1 71 71 LEU CD2 C 13 26.819 0.300 . 2 . . . . 71 LEU CD2 . 10149 1 835 . 1 1 71 71 LEU HD21 H 1 1.028 0.030 . 1 . . . . 71 LEU HD2 . 10149 1 836 . 1 1 71 71 LEU HD22 H 1 1.028 0.030 . 1 . . . . 71 LEU HD2 . 10149 1 837 . 1 1 71 71 LEU HD23 H 1 1.028 0.030 . 1 . . . . 71 LEU HD2 . 10149 1 838 . 1 1 71 71 LEU C C 13 177.664 0.300 . 1 . . . . 71 LEU C . 10149 1 839 . 1 1 72 72 ALA N N 15 119.977 0.300 . 1 . . . . 72 ALA N . 10149 1 840 . 1 1 72 72 ALA H H 1 7.274 0.030 . 1 . . . . 72 ALA H . 10149 1 841 . 1 1 72 72 ALA CA C 13 55.807 0.300 . 1 . . . . 72 ALA CA . 10149 1 842 . 1 1 72 72 ALA HA H 1 3.873 0.030 . 1 . . . . 72 ALA HA . 10149 1 843 . 1 1 72 72 ALA CB C 13 18.412 0.300 . 1 . . . . 72 ALA CB . 10149 1 844 . 1 1 72 72 ALA HB1 H 1 1.607 0.030 . 1 . . . . 72 ALA HB . 10149 1 845 . 1 1 72 72 ALA HB2 H 1 1.607 0.030 . 1 . . . . 72 ALA HB . 10149 1 846 . 1 1 72 72 ALA HB3 H 1 1.607 0.030 . 1 . . . . 72 ALA HB . 10149 1 847 . 1 1 72 72 ALA C C 13 179.676 0.300 . 1 . . . . 72 ALA C . 10149 1 848 . 1 1 73 73 PHE N N 15 115.018 0.300 . 1 . . . . 73 PHE N . 10149 1 849 . 1 1 73 73 PHE H H 1 8.722 0.030 . 1 . . . . 73 PHE H . 10149 1 850 . 1 1 73 73 PHE CA C 13 56.889 0.300 . 1 . . . . 73 PHE CA . 10149 1 851 . 1 1 73 73 PHE HA H 1 4.848 0.030 . 1 . . . . 73 PHE HA . 10149 1 852 . 1 1 73 73 PHE CB C 13 37.404 0.300 . 1 . . . . 73 PHE CB . 10149 1 853 . 1 1 73 73 PHE HB2 H 1 3.321 0.030 . 2 . . . . 73 PHE HB2 . 10149 1 854 . 1 1 73 73 PHE HB3 H 1 3.446 0.030 . 2 . . . . 73 PHE HB3 . 10149 1 855 . 1 1 73 73 PHE CD1 C 13 131.025 0.300 . 1 . . . . 73 PHE CD1 . 10149 1 856 . 1 1 73 73 PHE HD1 H 1 7.313 0.030 . 1 . . . . 73 PHE HD1 . 10149 1 857 . 1 1 73 73 PHE CD2 C 13 131.025 0.300 . 1 . . . . 73 PHE CD2 . 10149 1 858 . 1 1 73 73 PHE HD2 H 1 7.313 0.030 . 1 . . . . 73 PHE HD2 . 10149 1 859 . 1 1 73 73 PHE CE1 C 13 130.315 0.300 . 1 . . . . 73 PHE CE1 . 10149 1 860 . 1 1 73 73 PHE HE1 H 1 6.959 0.030 . 1 . . . . 73 PHE HE1 . 10149 1 861 . 1 1 73 73 PHE CE2 C 13 130.315 0.300 . 1 . . . . 73 PHE CE2 . 10149 1 862 . 1 1 73 73 PHE HE2 H 1 6.959 0.030 . 1 . . . . 73 PHE HE2 . 10149 1 863 . 1 1 73 73 PHE CZ C 13 129.161 0.300 . 1 . . . . 73 PHE CZ . 10149 1 864 . 1 1 73 73 PHE HZ H 1 6.912 0.030 . 1 . . . . 73 PHE HZ . 10149 1 865 . 1 1 73 73 PHE C C 13 180.123 0.300 . 1 . . . . 73 PHE C . 10149 1 866 . 1 1 74 74 ASP N N 15 122.136 0.300 . 1 . . . . 74 ASP N . 10149 1 867 . 1 1 74 74 ASP H H 1 9.262 0.030 . 1 . . . . 74 ASP H . 10149 1 868 . 1 1 74 74 ASP CA C 13 57.648 0.300 . 1 . . . . 74 ASP CA . 10149 1 869 . 1 1 74 74 ASP HA H 1 4.550 0.030 . 1 . . . . 74 ASP HA . 10149 1 870 . 1 1 74 74 ASP CB C 13 40.073 0.300 . 1 . . . . 74 ASP CB . 10149 1 871 . 1 1 74 74 ASP HB2 H 1 3.171 0.030 . 2 . . . . 74 ASP HB2 . 10149 1 872 . 1 1 74 74 ASP HB3 H 1 2.698 0.030 . 2 . . . . 74 ASP HB3 . 10149 1 873 . 1 1 74 74 ASP C C 13 179.818 0.300 . 1 . . . . 74 ASP C . 10149 1 874 . 1 1 75 75 VAL N N 15 122.521 0.300 . 1 . . . . 75 VAL N . 10149 1 875 . 1 1 75 75 VAL H H 1 9.080 0.030 . 1 . . . . 75 VAL H . 10149 1 876 . 1 1 75 75 VAL CA C 13 66.894 0.300 . 1 . . . . 75 VAL CA . 10149 1 877 . 1 1 75 75 VAL HA H 1 3.611 0.030 . 1 . . . . 75 VAL HA . 10149 1 878 . 1 1 75 75 VAL CB C 13 31.943 0.300 . 1 . . . . 75 VAL CB . 10149 1 879 . 1 1 75 75 VAL HB H 1 2.280 0.030 . 1 . . . . 75 VAL HB . 10149 1 880 . 1 1 75 75 VAL CG1 C 13 23.013 0.300 . 2 . . . . 75 VAL CG1 . 10149 1 881 . 1 1 75 75 VAL HG11 H 1 0.857 0.030 . 1 . . . . 75 VAL HG1 . 10149 1 882 . 1 1 75 75 VAL HG12 H 1 0.857 0.030 . 1 . . . . 75 VAL HG1 . 10149 1 883 . 1 1 75 75 VAL HG13 H 1 0.857 0.030 . 1 . . . . 75 VAL HG1 . 10149 1 884 . 1 1 75 75 VAL CG2 C 13 23.896 0.300 . 2 . . . . 75 VAL CG2 . 10149 1 885 . 1 1 75 75 VAL HG21 H 1 1.186 0.030 . 1 . . . . 75 VAL HG2 . 10149 1 886 . 1 1 75 75 VAL HG22 H 1 1.186 0.030 . 1 . . . . 75 VAL HG2 . 10149 1 887 . 1 1 75 75 VAL HG23 H 1 1.186 0.030 . 1 . . . . 75 VAL HG2 . 10149 1 888 . 1 1 75 75 VAL C C 13 177.813 0.300 . 1 . . . . 75 VAL C . 10149 1 889 . 1 1 76 76 ALA N N 15 121.109 0.300 . 1 . . . . 76 ALA N . 10149 1 890 . 1 1 76 76 ALA H H 1 8.813 0.030 . 1 . . . . 76 ALA H . 10149 1 891 . 1 1 76 76 ALA CA C 13 55.181 0.300 . 1 . . . . 76 ALA CA . 10149 1 892 . 1 1 76 76 ALA HA H 1 4.092 0.030 . 1 . . . . 76 ALA HA . 10149 1 893 . 1 1 76 76 ALA CB C 13 19.324 0.300 . 1 . . . . 76 ALA CB . 10149 1 894 . 1 1 76 76 ALA HB1 H 1 1.995 0.030 . 1 . . . . 76 ALA HB . 10149 1 895 . 1 1 76 76 ALA HB2 H 1 1.995 0.030 . 1 . . . . 76 ALA HB . 10149 1 896 . 1 1 76 76 ALA HB3 H 1 1.995 0.030 . 1 . . . . 76 ALA HB . 10149 1 897 . 1 1 76 76 ALA C C 13 180.373 0.300 . 1 . . . . 76 ALA C . 10149 1 898 . 1 1 77 77 GLU N N 15 120.309 0.300 . 1 . . . . 77 GLU N . 10149 1 899 . 1 1 77 77 GLU H H 1 8.257 0.030 . 1 . . . . 77 GLU H . 10149 1 900 . 1 1 77 77 GLU CA C 13 59.818 0.300 . 1 . . . . 77 GLU CA . 10149 1 901 . 1 1 77 77 GLU HA H 1 3.982 0.030 . 1 . . . . 77 GLU HA . 10149 1 902 . 1 1 77 77 GLU CB C 13 30.530 0.300 . 1 . . . . 77 GLU CB . 10149 1 903 . 1 1 77 77 GLU HB2 H 1 2.305 0.030 . 2 . . . . 77 GLU HB2 . 10149 1 904 . 1 1 77 77 GLU HB3 H 1 2.142 0.030 . 2 . . . . 77 GLU HB3 . 10149 1 905 . 1 1 77 77 GLU CG C 13 36.121 0.300 . 1 . . . . 77 GLU CG . 10149 1 906 . 1 1 77 77 GLU HG2 H 1 2.119 0.030 . 1 . . . . 77 GLU HG2 . 10149 1 907 . 1 1 77 77 GLU HG3 H 1 2.119 0.030 . 1 . . . . 77 GLU HG3 . 10149 1 908 . 1 1 77 77 GLU C C 13 178.591 0.300 . 1 . . . . 77 GLU C . 10149 1 909 . 1 1 78 78 ARG N N 15 119.060 0.300 . 1 . . . . 78 ARG N . 10149 1 910 . 1 1 78 78 ARG H H 1 8.325 0.030 . 1 . . . . 78 ARG H . 10149 1 911 . 1 1 78 78 ARG CA C 13 59.232 0.300 . 1 . . . . 78 ARG CA . 10149 1 912 . 1 1 78 78 ARG HA H 1 4.048 0.030 . 1 . . . . 78 ARG HA . 10149 1 913 . 1 1 78 78 ARG CB C 13 31.462 0.300 . 1 . . . . 78 ARG CB . 10149 1 914 . 1 1 78 78 ARG HB2 H 1 1.987 0.030 . 2 . . . . 78 ARG HB2 . 10149 1 915 . 1 1 78 78 ARG HB3 H 1 1.837 0.030 . 2 . . . . 78 ARG HB3 . 10149 1 916 . 1 1 78 78 ARG CG C 13 27.631 0.300 . 1 . . . . 78 ARG CG . 10149 1 917 . 1 1 78 78 ARG HG2 H 1 1.727 0.030 . 2 . . . . 78 ARG HG2 . 10149 1 918 . 1 1 78 78 ARG HG3 H 1 1.497 0.030 . 2 . . . . 78 ARG HG3 . 10149 1 919 . 1 1 78 78 ARG CD C 13 43.630 0.300 . 1 . . . . 78 ARG CD . 10149 1 920 . 1 1 78 78 ARG HD2 H 1 3.242 0.030 . 1 . . . . 78 ARG HD2 . 10149 1 921 . 1 1 78 78 ARG HD3 H 1 3.242 0.030 . 1 . . . . 78 ARG HD3 . 10149 1 922 . 1 1 78 78 ARG NE N 15 85.209 0.300 . 1 . . . . 78 ARG NE . 10149 1 923 . 1 1 78 78 ARG HE H 1 7.593 0.030 . 1 . . . . 78 ARG HE . 10149 1 924 . 1 1 78 78 ARG C C 13 178.327 0.300 . 1 . . . . 78 ARG C . 10149 1 925 . 1 1 79 79 GLU N N 15 114.012 0.300 . 1 . . . . 79 GLU N . 10149 1 926 . 1 1 79 79 GLU H H 1 8.878 0.030 . 1 . . . . 79 GLU H . 10149 1 927 . 1 1 79 79 GLU CA C 13 56.599 0.300 . 1 . . . . 79 GLU CA . 10149 1 928 . 1 1 79 79 GLU HA H 1 4.329 0.030 . 1 . . . . 79 GLU HA . 10149 1 929 . 1 1 79 79 GLU CB C 13 28.771 0.300 . 1 . . . . 79 GLU CB . 10149 1 930 . 1 1 79 79 GLU HB2 H 1 1.626 0.030 . 2 . . . . 79 GLU HB2 . 10149 1 931 . 1 1 79 79 GLU HB3 H 1 1.090 0.030 . 2 . . . . 79 GLU HB3 . 10149 1 932 . 1 1 79 79 GLU CG C 13 35.627 0.300 . 1 . . . . 79 GLU CG . 10149 1 933 . 1 1 79 79 GLU HG2 H 1 2.241 0.030 . 2 . . . . 79 GLU HG2 . 10149 1 934 . 1 1 79 79 GLU HG3 H 1 2.201 0.030 . 2 . . . . 79 GLU HG3 . 10149 1 935 . 1 1 79 79 GLU C C 13 178.301 0.300 . 1 . . . . 79 GLU C . 10149 1 936 . 1 1 80 80 PHE N N 15 113.394 0.300 . 1 . . . . 80 PHE N . 10149 1 937 . 1 1 80 80 PHE H H 1 6.906 0.030 . 1 . . . . 80 PHE H . 10149 1 938 . 1 1 80 80 PHE CA C 13 53.518 0.300 . 1 . . . . 80 PHE CA . 10149 1 939 . 1 1 80 80 PHE HA H 1 5.246 0.030 . 1 . . . . 80 PHE HA . 10149 1 940 . 1 1 80 80 PHE CB C 13 39.910 0.300 . 1 . . . . 80 PHE CB . 10149 1 941 . 1 1 80 80 PHE HB2 H 1 3.325 0.030 . 2 . . . . 80 PHE HB2 . 10149 1 942 . 1 1 80 80 PHE HB3 H 1 3.126 0.030 . 2 . . . . 80 PHE HB3 . 10149 1 943 . 1 1 80 80 PHE CD1 C 13 131.452 0.300 . 1 . . . . 80 PHE CD1 . 10149 1 944 . 1 1 80 80 PHE HD1 H 1 7.141 0.030 . 1 . . . . 80 PHE HD1 . 10149 1 945 . 1 1 80 80 PHE CD2 C 13 131.452 0.300 . 1 . . . . 80 PHE CD2 . 10149 1 946 . 1 1 80 80 PHE HD2 H 1 7.141 0.030 . 1 . . . . 80 PHE HD2 . 10149 1 947 . 1 1 80 80 PHE CE1 C 13 130.355 0.300 . 1 . . . . 80 PHE CE1 . 10149 1 948 . 1 1 80 80 PHE HE1 H 1 7.455 0.030 . 1 . . . . 80 PHE HE1 . 10149 1 949 . 1 1 80 80 PHE CE2 C 13 130.355 0.300 . 1 . . . . 80 PHE CE2 . 10149 1 950 . 1 1 80 80 PHE HE2 H 1 7.455 0.030 . 1 . . . . 80 PHE HE2 . 10149 1 951 . 1 1 80 80 PHE CZ C 13 128.797 0.300 . 1 . . . . 80 PHE CZ . 10149 1 952 . 1 1 80 80 PHE HZ H 1 7.271 0.030 . 1 . . . . 80 PHE HZ . 10149 1 953 . 1 1 80 80 PHE C C 13 176.487 0.300 . 1 . . . . 80 PHE C . 10149 1 954 . 1 1 81 81 GLY N N 15 108.698 0.300 . 1 . . . . 81 GLY N . 10149 1 955 . 1 1 81 81 GLY H H 1 7.352 0.030 . 1 . . . . 81 GLY H . 10149 1 956 . 1 1 81 81 GLY CA C 13 46.520 0.300 . 1 . . . . 81 GLY CA . 10149 1 957 . 1 1 81 81 GLY HA2 H 1 3.975 0.030 . 1 . . . . 81 GLY HA2 . 10149 1 958 . 1 1 81 81 GLY HA3 H 1 3.975 0.030 . 1 . . . . 81 GLY HA3 . 10149 1 959 . 1 1 81 81 GLY C C 13 174.711 0.300 . 1 . . . . 81 GLY C . 10149 1 960 . 1 1 82 82 ILE N N 15 122.486 0.300 . 1 . . . . 82 ILE N . 10149 1 961 . 1 1 82 82 ILE H H 1 7.507 0.030 . 1 . . . . 82 ILE H . 10149 1 962 . 1 1 82 82 ILE CA C 13 58.810 0.300 . 1 . . . . 82 ILE CA . 10149 1 963 . 1 1 82 82 ILE HA H 1 4.285 0.030 . 1 . . . . 82 ILE HA . 10149 1 964 . 1 1 82 82 ILE CB C 13 39.376 0.300 . 1 . . . . 82 ILE CB . 10149 1 965 . 1 1 82 82 ILE HB H 1 1.318 0.030 . 1 . . . . 82 ILE HB . 10149 1 966 . 1 1 82 82 ILE CG1 C 13 27.009 0.300 . 1 . . . . 82 ILE CG1 . 10149 1 967 . 1 1 82 82 ILE HG12 H 1 0.502 0.030 . 2 . . . . 82 ILE HG12 . 10149 1 968 . 1 1 82 82 ILE HG13 H 1 1.280 0.030 . 2 . . . . 82 ILE HG13 . 10149 1 969 . 1 1 82 82 ILE CG2 C 13 18.071 0.300 . 1 . . . . 82 ILE CG2 . 10149 1 970 . 1 1 82 82 ILE HG21 H 1 0.581 0.030 . 1 . . . . 82 ILE HG2 . 10149 1 971 . 1 1 82 82 ILE HG22 H 1 0.581 0.030 . 1 . . . . 82 ILE HG2 . 10149 1 972 . 1 1 82 82 ILE HG23 H 1 0.581 0.030 . 1 . . . . 82 ILE HG2 . 10149 1 973 . 1 1 82 82 ILE CD1 C 13 12.325 0.300 . 1 . . . . 82 ILE CD1 . 10149 1 974 . 1 1 82 82 ILE HD11 H 1 -0.261 0.030 . 1 . . . . 82 ILE HD1 . 10149 1 975 . 1 1 82 82 ILE HD12 H 1 -0.261 0.030 . 1 . . . . 82 ILE HD1 . 10149 1 976 . 1 1 82 82 ILE HD13 H 1 -0.261 0.030 . 1 . . . . 82 ILE HD1 . 10149 1 977 . 1 1 82 82 ILE C C 13 172.836 0.300 . 1 . . . . 82 ILE C . 10149 1 978 . 1 1 83 83 PRO CA C 13 60.989 0.300 . 1 . . . . 83 PRO CA . 10149 1 979 . 1 1 83 83 PRO HA H 1 4.589 0.030 . 1 . . . . 83 PRO HA . 10149 1 980 . 1 1 83 83 PRO CB C 13 31.107 0.300 . 1 . . . . 83 PRO CB . 10149 1 981 . 1 1 83 83 PRO HB2 H 1 2.362 0.030 . 2 . . . . 83 PRO HB2 . 10149 1 982 . 1 1 83 83 PRO HB3 H 1 1.840 0.030 . 2 . . . . 83 PRO HB3 . 10149 1 983 . 1 1 83 83 PRO CG C 13 27.401 0.300 . 1 . . . . 83 PRO CG . 10149 1 984 . 1 1 83 83 PRO HG2 H 1 1.918 0.030 . 2 . . . . 83 PRO HG2 . 10149 1 985 . 1 1 83 83 PRO HG3 H 1 1.950 0.030 . 2 . . . . 83 PRO HG3 . 10149 1 986 . 1 1 83 83 PRO CD C 13 51.322 0.300 . 1 . . . . 83 PRO CD . 10149 1 987 . 1 1 83 83 PRO HD2 H 1 3.592 0.030 . 2 . . . . 83 PRO HD2 . 10149 1 988 . 1 1 83 83 PRO HD3 H 1 4.296 0.030 . 2 . . . . 83 PRO HD3 . 10149 1 989 . 1 1 84 84 PRO CA C 13 62.860 0.300 . 1 . . . . 84 PRO CA . 10149 1 990 . 1 1 84 84 PRO HA H 1 4.405 0.030 . 1 . . . . 84 PRO HA . 10149 1 991 . 1 1 84 84 PRO CB C 13 32.638 0.300 . 1 . . . . 84 PRO CB . 10149 1 992 . 1 1 84 84 PRO HB2 H 1 2.070 0.030 . 2 . . . . 84 PRO HB2 . 10149 1 993 . 1 1 84 84 PRO HB3 H 1 1.789 0.030 . 2 . . . . 84 PRO HB3 . 10149 1 994 . 1 1 84 84 PRO CG C 13 27.426 0.300 . 1 . . . . 84 PRO CG . 10149 1 995 . 1 1 84 84 PRO HG2 H 1 2.080 0.030 . 1 . . . . 84 PRO HG2 . 10149 1 996 . 1 1 84 84 PRO HG3 H 1 2.080 0.030 . 1 . . . . 84 PRO HG3 . 10149 1 997 . 1 1 84 84 PRO CD C 13 50.520 0.300 . 1 . . . . 84 PRO CD . 10149 1 998 . 1 1 84 84 PRO HD2 H 1 3.577 0.030 . 2 . . . . 84 PRO HD2 . 10149 1 999 . 1 1 84 84 PRO HD3 H 1 3.635 0.030 . 2 . . . . 84 PRO HD3 . 10149 1 1000 . 1 1 84 84 PRO C C 13 177.894 0.300 . 1 . . . . 84 PRO C . 10149 1 1001 . 1 1 85 85 VAL N N 15 114.062 0.300 . 1 . . . . 85 VAL N . 10149 1 1002 . 1 1 85 85 VAL H H 1 6.621 0.030 . 1 . . . . 85 VAL H . 10149 1 1003 . 1 1 85 85 VAL CA C 13 61.000 0.300 . 1 . . . . 85 VAL CA . 10149 1 1004 . 1 1 85 85 VAL HA H 1 4.080 0.030 . 1 . . . . 85 VAL HA . 10149 1 1005 . 1 1 85 85 VAL CB C 13 32.725 0.300 . 1 . . . . 85 VAL CB . 10149 1 1006 . 1 1 85 85 VAL HB H 1 1.753 0.030 . 1 . . . . 85 VAL HB . 10149 1 1007 . 1 1 85 85 VAL CG1 C 13 20.354 0.300 . 2 . . . . 85 VAL CG1 . 10149 1 1008 . 1 1 85 85 VAL HG11 H 1 0.543 0.030 . 1 . . . . 85 VAL HG1 . 10149 1 1009 . 1 1 85 85 VAL HG12 H 1 0.543 0.030 . 1 . . . . 85 VAL HG1 . 10149 1 1010 . 1 1 85 85 VAL HG13 H 1 0.543 0.030 . 1 . . . . 85 VAL HG1 . 10149 1 1011 . 1 1 85 85 VAL CG2 C 13 18.877 0.300 . 2 . . . . 85 VAL CG2 . 10149 1 1012 . 1 1 85 85 VAL HG21 H 1 0.365 0.030 . 1 . . . . 85 VAL HG2 . 10149 1 1013 . 1 1 85 85 VAL HG22 H 1 0.365 0.030 . 1 . . . . 85 VAL HG2 . 10149 1 1014 . 1 1 85 85 VAL HG23 H 1 0.365 0.030 . 1 . . . . 85 VAL HG2 . 10149 1 1015 . 1 1 85 85 VAL C C 13 174.315 0.300 . 1 . . . . 85 VAL C . 10149 1 1016 . 1 1 86 86 THR N N 15 114.774 0.300 . 1 . . . . 86 THR N . 10149 1 1017 . 1 1 86 86 THR H H 1 6.827 0.030 . 1 . . . . 86 THR H . 10149 1 1018 . 1 1 86 86 THR CA C 13 59.336 0.300 . 1 . . . . 86 THR CA . 10149 1 1019 . 1 1 86 86 THR HA H 1 4.442 0.030 . 1 . . . . 86 THR HA . 10149 1 1020 . 1 1 86 86 THR CB C 13 68.016 0.300 . 1 . . . . 86 THR CB . 10149 1 1021 . 1 1 86 86 THR HB H 1 4.110 0.030 . 1 . . . . 86 THR HB . 10149 1 1022 . 1 1 86 86 THR CG2 C 13 18.874 0.300 . 1 . . . . 86 THR CG2 . 10149 1 1023 . 1 1 86 86 THR HG21 H 1 0.940 0.030 . 1 . . . . 86 THR HG2 . 10149 1 1024 . 1 1 86 86 THR HG22 H 1 0.940 0.030 . 1 . . . . 86 THR HG2 . 10149 1 1025 . 1 1 86 86 THR HG23 H 1 0.940 0.030 . 1 . . . . 86 THR HG2 . 10149 1 1026 . 1 1 86 86 THR C C 13 172.724 0.300 . 1 . . . . 86 THR C . 10149 1 1027 . 1 1 87 87 THR N N 15 109.655 0.300 . 1 . . . . 87 THR N . 10149 1 1028 . 1 1 87 87 THR H H 1 8.313 0.030 . 1 . . . . 87 THR H . 10149 1 1029 . 1 1 87 87 THR CA C 13 59.870 0.300 . 1 . . . . 87 THR CA . 10149 1 1030 . 1 1 87 87 THR HA H 1 5.000 0.030 . 1 . . . . 87 THR HA . 10149 1 1031 . 1 1 87 87 THR CB C 13 72.527 0.300 . 1 . . . . 87 THR CB . 10149 1 1032 . 1 1 87 87 THR HB H 1 4.669 0.030 . 1 . . . . 87 THR HB . 10149 1 1033 . 1 1 87 87 THR CG2 C 13 21.616 0.300 . 1 . . . . 87 THR CG2 . 10149 1 1034 . 1 1 87 87 THR HG21 H 1 1.312 0.030 . 1 . . . . 87 THR HG2 . 10149 1 1035 . 1 1 87 87 THR HG22 H 1 1.312 0.030 . 1 . . . . 87 THR HG2 . 10149 1 1036 . 1 1 87 87 THR HG23 H 1 1.312 0.030 . 1 . . . . 87 THR HG2 . 10149 1 1037 . 1 1 87 87 THR C C 13 176.440 0.300 . 1 . . . . 87 THR C . 10149 1 1038 . 1 1 88 88 GLY N N 15 110.531 0.300 . 1 . . . . 88 GLY N . 10149 1 1039 . 1 1 88 88 GLY H H 1 9.655 0.030 . 1 . . . . 88 GLY H . 10149 1 1040 . 1 1 88 88 GLY CA C 13 49.124 0.300 . 1 . . . . 88 GLY CA . 10149 1 1041 . 1 1 88 88 GLY HA2 H 1 4.115 0.030 . 2 . . . . 88 GLY HA2 . 10149 1 1042 . 1 1 88 88 GLY HA3 H 1 3.755 0.030 . 2 . . . . 88 GLY HA3 . 10149 1 1043 . 1 1 88 88 GLY C C 13 175.154 0.300 . 1 . . . . 88 GLY C . 10149 1 1044 . 1 1 89 89 LYS N N 15 119.606 0.300 . 1 . . . . 89 LYS N . 10149 1 1045 . 1 1 89 89 LYS H H 1 8.542 0.030 . 1 . . . . 89 LYS H . 10149 1 1046 . 1 1 89 89 LYS CA C 13 59.687 0.300 . 1 . . . . 89 LYS CA . 10149 1 1047 . 1 1 89 89 LYS HA H 1 4.030 0.030 . 1 . . . . 89 LYS HA . 10149 1 1048 . 1 1 89 89 LYS CB C 13 32.733 0.300 . 1 . . . . 89 LYS CB . 10149 1 1049 . 1 1 89 89 LYS HB2 H 1 1.800 0.030 . 1 . . . . 89 LYS HB2 . 10149 1 1050 . 1 1 89 89 LYS HB3 H 1 1.800 0.030 . 1 . . . . 89 LYS HB3 . 10149 1 1051 . 1 1 89 89 LYS CG C 13 25.184 0.300 . 1 . . . . 89 LYS CG . 10149 1 1052 . 1 1 89 89 LYS HG2 H 1 1.408 0.030 . 2 . . . . 89 LYS HG2 . 10149 1 1053 . 1 1 89 89 LYS HG3 H 1 1.479 0.030 . 2 . . . . 89 LYS HG3 . 10149 1 1054 . 1 1 89 89 LYS CD C 13 29.444 0.300 . 1 . . . . 89 LYS CD . 10149 1 1055 . 1 1 89 89 LYS HD2 H 1 1.677 0.030 . 1 . . . . 89 LYS HD2 . 10149 1 1056 . 1 1 89 89 LYS HD3 H 1 1.677 0.030 . 1 . . . . 89 LYS HD3 . 10149 1 1057 . 1 1 89 89 LYS CE C 13 42.043 0.300 . 1 . . . . 89 LYS CE . 10149 1 1058 . 1 1 89 89 LYS HE2 H 1 2.974 0.030 . 1 . . . . 89 LYS HE2 . 10149 1 1059 . 1 1 89 89 LYS HE3 H 1 2.974 0.030 . 1 . . . . 89 LYS HE3 . 10149 1 1060 . 1 1 89 89 LYS C C 13 178.921 0.300 . 1 . . . . 89 LYS C . 10149 1 1061 . 1 1 90 90 GLU N N 15 118.992 0.300 . 1 . . . . 90 GLU N . 10149 1 1062 . 1 1 90 90 GLU H H 1 7.610 0.030 . 1 . . . . 90 GLU H . 10149 1 1063 . 1 1 90 90 GLU CA C 13 59.238 0.300 . 1 . . . . 90 GLU CA . 10149 1 1064 . 1 1 90 90 GLU HA H 1 4.008 0.030 . 1 . . . . 90 GLU HA . 10149 1 1065 . 1 1 90 90 GLU CB C 13 29.946 0.300 . 1 . . . . 90 GLU CB . 10149 1 1066 . 1 1 90 90 GLU HB2 H 1 2.090 0.030 . 2 . . . . 90 GLU HB2 . 10149 1 1067 . 1 1 90 90 GLU HB3 H 1 2.167 0.030 . 2 . . . . 90 GLU HB3 . 10149 1 1068 . 1 1 90 90 GLU CG C 13 37.378 0.300 . 1 . . . . 90 GLU CG . 10149 1 1069 . 1 1 90 90 GLU HG2 H 1 2.178 0.030 . 1 . . . . 90 GLU HG2 . 10149 1 1070 . 1 1 90 90 GLU HG3 H 1 2.178 0.030 . 1 . . . . 90 GLU HG3 . 10149 1 1071 . 1 1 90 90 GLU C C 13 179.366 0.300 . 1 . . . . 90 GLU C . 10149 1 1072 . 1 1 91 91 MET N N 15 120.109 0.300 . 1 . . . . 91 MET N . 10149 1 1073 . 1 1 91 91 MET H H 1 8.468 0.030 . 1 . . . . 91 MET H . 10149 1 1074 . 1 1 91 91 MET CA C 13 57.606 0.300 . 1 . . . . 91 MET CA . 10149 1 1075 . 1 1 91 91 MET HA H 1 4.355 0.030 . 1 . . . . 91 MET HA . 10149 1 1076 . 1 1 91 91 MET CB C 13 32.364 0.300 . 1 . . . . 91 MET CB . 10149 1 1077 . 1 1 91 91 MET HB2 H 1 2.143 0.030 . 2 . . . . 91 MET HB2 . 10149 1 1078 . 1 1 91 91 MET HB3 H 1 2.231 0.030 . 2 . . . . 91 MET HB3 . 10149 1 1079 . 1 1 91 91 MET CG C 13 32.329 0.300 . 1 . . . . 91 MET CG . 10149 1 1080 . 1 1 91 91 MET HG2 H 1 2.739 0.030 . 2 . . . . 91 MET HG2 . 10149 1 1081 . 1 1 91 91 MET HG3 H 1 2.997 0.030 . 2 . . . . 91 MET HG3 . 10149 1 1082 . 1 1 91 91 MET CE C 13 18.202 0.300 . 1 . . . . 91 MET CE . 10149 1 1083 . 1 1 91 91 MET HE1 H 1 2.236 0.030 . 1 . . . . 91 MET HE . 10149 1 1084 . 1 1 91 91 MET HE2 H 1 2.236 0.030 . 1 . . . . 91 MET HE . 10149 1 1085 . 1 1 91 91 MET HE3 H 1 2.236 0.030 . 1 . . . . 91 MET HE . 10149 1 1086 . 1 1 91 91 MET C C 13 177.168 0.300 . 1 . . . . 91 MET C . 10149 1 1087 . 1 1 92 92 ALA N N 15 115.912 0.300 . 1 . . . . 92 ALA N . 10149 1 1088 . 1 1 92 92 ALA H H 1 7.876 0.030 . 1 . . . . 92 ALA H . 10149 1 1089 . 1 1 92 92 ALA CA C 13 53.278 0.300 . 1 . . . . 92 ALA CA . 10149 1 1090 . 1 1 92 92 ALA HA H 1 4.316 0.030 . 1 . . . . 92 ALA HA . 10149 1 1091 . 1 1 92 92 ALA CB C 13 20.275 0.300 . 1 . . . . 92 ALA CB . 10149 1 1092 . 1 1 92 92 ALA HB1 H 1 1.354 0.030 . 1 . . . . 92 ALA HB . 10149 1 1093 . 1 1 92 92 ALA HB2 H 1 1.354 0.030 . 1 . . . . 92 ALA HB . 10149 1 1094 . 1 1 92 92 ALA HB3 H 1 1.354 0.030 . 1 . . . . 92 ALA HB . 10149 1 1095 . 1 1 92 92 ALA C C 13 178.672 0.300 . 1 . . . . 92 ALA C . 10149 1 1096 . 1 1 93 93 SER N N 15 111.760 0.300 . 1 . . . . 93 SER N . 10149 1 1097 . 1 1 93 93 SER H H 1 7.431 0.030 . 1 . . . . 93 SER H . 10149 1 1098 . 1 1 93 93 SER CA C 13 58.584 0.300 . 1 . . . . 93 SER CA . 10149 1 1099 . 1 1 93 93 SER HA H 1 4.471 0.030 . 1 . . . . 93 SER HA . 10149 1 1100 . 1 1 93 93 SER CB C 13 64.582 0.300 . 1 . . . . 93 SER CB . 10149 1 1101 . 1 1 93 93 SER HB2 H 1 4.049 0.030 . 2 . . . . 93 SER HB2 . 10149 1 1102 . 1 1 93 93 SER HB3 H 1 4.024 0.030 . 2 . . . . 93 SER HB3 . 10149 1 1103 . 1 1 93 93 SER C C 13 173.576 0.300 . 1 . . . . 93 SER C . 10149 1 1104 . 1 1 94 94 ALA N N 15 123.381 0.300 . 1 . . . . 94 ALA N . 10149 1 1105 . 1 1 94 94 ALA H H 1 7.903 0.030 . 1 . . . . 94 ALA H . 10149 1 1106 . 1 1 94 94 ALA CA C 13 52.760 0.300 . 1 . . . . 94 ALA CA . 10149 1 1107 . 1 1 94 94 ALA HA H 1 4.267 0.030 . 1 . . . . 94 ALA HA . 10149 1 1108 . 1 1 94 94 ALA CB C 13 18.364 0.300 . 1 . . . . 94 ALA CB . 10149 1 1109 . 1 1 94 94 ALA HB1 H 1 1.412 0.030 . 1 . . . . 94 ALA HB . 10149 1 1110 . 1 1 94 94 ALA HB2 H 1 1.412 0.030 . 1 . . . . 94 ALA HB . 10149 1 1111 . 1 1 94 94 ALA HB3 H 1 1.412 0.030 . 1 . . . . 94 ALA HB . 10149 1 1112 . 1 1 94 94 ALA C C 13 177.611 0.300 . 1 . . . . 94 ALA C . 10149 1 1113 . 1 1 95 95 GLN N N 15 120.874 0.300 . 1 . . . . 95 GLN N . 10149 1 1114 . 1 1 95 95 GLN H H 1 8.305 0.030 . 1 . . . . 95 GLN H . 10149 1 1115 . 1 1 95 95 GLN CA C 13 56.821 0.300 . 1 . . . . 95 GLN CA . 10149 1 1116 . 1 1 95 95 GLN HA H 1 4.185 0.030 . 1 . . . . 95 GLN HA . 10149 1 1117 . 1 1 95 95 GLN CB C 13 29.052 0.300 . 1 . . . . 95 GLN CB . 10149 1 1118 . 1 1 95 95 GLN HB2 H 1 2.002 0.030 . 2 . . . . 95 GLN HB2 . 10149 1 1119 . 1 1 95 95 GLN HB3 H 1 2.092 0.030 . 2 . . . . 95 GLN HB3 . 10149 1 1120 . 1 1 95 95 GLN CG C 13 33.922 0.300 . 1 . . . . 95 GLN CG . 10149 1 1121 . 1 1 95 95 GLN HG2 H 1 2.380 0.030 . 1 . . . . 95 GLN HG2 . 10149 1 1122 . 1 1 95 95 GLN HG3 H 1 2.380 0.030 . 1 . . . . 95 GLN HG3 . 10149 1 1123 . 1 1 95 95 GLN NE2 N 15 112.646 0.300 . 1 . . . . 95 GLN NE2 . 10149 1 1124 . 1 1 95 95 GLN HE21 H 1 6.874 0.030 . 2 . . . . 95 GLN HE21 . 10149 1 1125 . 1 1 95 95 GLN HE22 H 1 7.613 0.030 . 2 . . . . 95 GLN HE22 . 10149 1 1126 . 1 1 95 95 GLN C C 13 175.975 0.300 . 1 . . . . 95 GLN C . 10149 1 1127 . 1 1 96 96 GLU N N 15 120.251 0.300 . 1 . . . . 96 GLU N . 10149 1 1128 . 1 1 96 96 GLU H H 1 8.402 0.030 . 1 . . . . 96 GLU H . 10149 1 1129 . 1 1 96 96 GLU CA C 13 54.378 0.300 . 1 . . . . 96 GLU CA . 10149 1 1130 . 1 1 96 96 GLU HA H 1 4.537 0.030 . 1 . . . . 96 GLU HA . 10149 1 1131 . 1 1 96 96 GLU CB C 13 30.216 0.300 . 1 . . . . 96 GLU CB . 10149 1 1132 . 1 1 96 96 GLU HB2 H 1 1.938 0.030 . 2 . . . . 96 GLU HB2 . 10149 1 1133 . 1 1 96 96 GLU HB3 H 1 2.063 0.030 . 2 . . . . 96 GLU HB3 . 10149 1 1134 . 1 1 96 96 GLU CG C 13 35.875 0.300 . 1 . . . . 96 GLU CG . 10149 1 1135 . 1 1 96 96 GLU HG2 H 1 2.217 0.030 . 2 . . . . 96 GLU HG2 . 10149 1 1136 . 1 1 96 96 GLU HG3 H 1 2.421 0.030 . 2 . . . . 96 GLU HG3 . 10149 1 1137 . 1 1 96 96 GLU C C 13 173.618 0.300 . 1 . . . . 96 GLU C . 10149 1 1138 . 1 1 97 97 PRO CA C 13 62.763 0.300 . 1 . . . . 97 PRO CA . 10149 1 1139 . 1 1 97 97 PRO HA H 1 4.362 0.030 . 1 . . . . 97 PRO HA . 10149 1 1140 . 1 1 97 97 PRO CB C 13 32.356 0.300 . 1 . . . . 97 PRO CB . 10149 1 1141 . 1 1 97 97 PRO HB2 H 1 2.341 0.030 . 2 . . . . 97 PRO HB2 . 10149 1 1142 . 1 1 97 97 PRO HB3 H 1 1.649 0.030 . 2 . . . . 97 PRO HB3 . 10149 1 1143 . 1 1 97 97 PRO CG C 13 27.631 0.300 . 1 . . . . 97 PRO CG . 10149 1 1144 . 1 1 97 97 PRO HG2 H 1 1.931 0.030 . 2 . . . . 97 PRO HG2 . 10149 1 1145 . 1 1 97 97 PRO HG3 H 1 2.079 0.030 . 2 . . . . 97 PRO HG3 . 10149 1 1146 . 1 1 97 97 PRO CD C 13 50.648 0.300 . 1 . . . . 97 PRO CD . 10149 1 1147 . 1 1 97 97 PRO HD2 H 1 3.382 0.030 . 2 . . . . 97 PRO HD2 . 10149 1 1148 . 1 1 97 97 PRO HD3 H 1 3.870 0.030 . 2 . . . . 97 PRO HD3 . 10149 1 1149 . 1 1 97 97 PRO C C 13 174.841 0.300 . 1 . . . . 97 PRO C . 10149 1 1150 . 1 1 98 98 ASP N N 15 120.272 0.300 . 1 . . . . 98 ASP N . 10149 1 1151 . 1 1 98 98 ASP H H 1 8.396 0.030 . 1 . . . . 98 ASP H . 10149 1 1152 . 1 1 98 98 ASP CA C 13 54.555 0.300 . 1 . . . . 98 ASP CA . 10149 1 1153 . 1 1 98 98 ASP HA H 1 4.409 0.030 . 1 . . . . 98 ASP HA . 10149 1 1154 . 1 1 98 98 ASP CB C 13 42.248 0.300 . 1 . . . . 98 ASP CB . 10149 1 1155 . 1 1 98 98 ASP HB2 H 1 2.633 0.030 . 2 . . . . 98 ASP HB2 . 10149 1 1156 . 1 1 98 98 ASP HB3 H 1 2.732 0.030 . 2 . . . . 98 ASP HB3 . 10149 1 1157 . 1 1 98 98 ASP C C 13 176.253 0.300 . 1 . . . . 98 ASP C . 10149 1 1158 . 1 1 99 99 LYS N N 15 126.808 0.300 . 1 . . . . 99 LYS N . 10149 1 1159 . 1 1 99 99 LYS H H 1 8.454 0.030 . 1 . . . . 99 LYS H . 10149 1 1160 . 1 1 99 99 LYS CA C 13 60.158 0.300 . 1 . . . . 99 LYS CA . 10149 1 1161 . 1 1 99 99 LYS HA H 1 3.705 0.030 . 1 . . . . 99 LYS HA . 10149 1 1162 . 1 1 99 99 LYS CB C 13 32.832 0.300 . 1 . . . . 99 LYS CB . 10149 1 1163 . 1 1 99 99 LYS HB2 H 1 1.789 0.030 . 1 . . . . 99 LYS HB2 . 10149 1 1164 . 1 1 99 99 LYS HB3 H 1 1.789 0.030 . 1 . . . . 99 LYS HB3 . 10149 1 1165 . 1 1 99 99 LYS CG C 13 25.041 0.300 . 1 . . . . 99 LYS CG . 10149 1 1166 . 1 1 99 99 LYS HG2 H 1 1.329 0.030 . 1 . . . . 99 LYS HG2 . 10149 1 1167 . 1 1 99 99 LYS HG3 H 1 1.329 0.030 . 1 . . . . 99 LYS HG3 . 10149 1 1168 . 1 1 99 99 LYS CD C 13 29.490 0.300 . 1 . . . . 99 LYS CD . 10149 1 1169 . 1 1 99 99 LYS HD2 H 1 1.709 0.030 . 1 . . . . 99 LYS HD2 . 10149 1 1170 . 1 1 99 99 LYS HD3 H 1 1.709 0.030 . 1 . . . . 99 LYS HD3 . 10149 1 1171 . 1 1 99 99 LYS CE C 13 42.022 0.300 . 1 . . . . 99 LYS CE . 10149 1 1172 . 1 1 99 99 LYS HE2 H 1 2.903 0.030 . 1 . . . . 99 LYS HE2 . 10149 1 1173 . 1 1 99 99 LYS HE3 H 1 2.903 0.030 . 1 . . . . 99 LYS HE3 . 10149 1 1174 . 1 1 99 99 LYS C C 13 177.621 0.300 . 1 . . . . 99 LYS C . 10149 1 1175 . 1 1 100 100 LEU N N 15 118.450 0.300 . 1 . . . . 100 LEU N . 10149 1 1176 . 1 1 100 100 LEU H H 1 8.160 0.030 . 1 . . . . 100 LEU H . 10149 1 1177 . 1 1 100 100 LEU CA C 13 58.094 0.300 . 1 . . . . 100 LEU CA . 10149 1 1178 . 1 1 100 100 LEU HA H 1 4.020 0.030 . 1 . . . . 100 LEU HA . 10149 1 1179 . 1 1 100 100 LEU CB C 13 40.800 0.300 . 1 . . . . 100 LEU CB . 10149 1 1180 . 1 1 100 100 LEU HB2 H 1 1.641 0.030 . 2 . . . . 100 LEU HB2 . 10149 1 1181 . 1 1 100 100 LEU HB3 H 1 1.756 0.030 . 2 . . . . 100 LEU HB3 . 10149 1 1182 . 1 1 100 100 LEU CG C 13 27.266 0.300 . 1 . . . . 100 LEU CG . 10149 1 1183 . 1 1 100 100 LEU HG H 1 1.656 0.030 . 1 . . . . 100 LEU HG . 10149 1 1184 . 1 1 100 100 LEU CD1 C 13 24.377 0.300 . 2 . . . . 100 LEU CD1 . 10149 1 1185 . 1 1 100 100 LEU HD11 H 1 0.928 0.030 . 1 . . . . 100 LEU HD1 . 10149 1 1186 . 1 1 100 100 LEU HD12 H 1 0.928 0.030 . 1 . . . . 100 LEU HD1 . 10149 1 1187 . 1 1 100 100 LEU HD13 H 1 0.928 0.030 . 1 . . . . 100 LEU HD1 . 10149 1 1188 . 1 1 100 100 LEU CD2 C 13 23.899 0.300 . 2 . . . . 100 LEU CD2 . 10149 1 1189 . 1 1 100 100 LEU HD21 H 1 0.869 0.030 . 1 . . . . 100 LEU HD2 . 10149 1 1190 . 1 1 100 100 LEU HD22 H 1 0.869 0.030 . 1 . . . . 100 LEU HD2 . 10149 1 1191 . 1 1 100 100 LEU HD23 H 1 0.869 0.030 . 1 . . . . 100 LEU HD2 . 10149 1 1192 . 1 1 100 100 LEU C C 13 179.776 0.300 . 1 . . . . 100 LEU C . 10149 1 1193 . 1 1 101 101 SER N N 15 115.644 0.300 . 1 . . . . 101 SER N . 10149 1 1194 . 1 1 101 101 SER H H 1 8.047 0.030 . 1 . . . . 101 SER H . 10149 1 1195 . 1 1 101 101 SER CA C 13 61.765 0.300 . 1 . . . . 101 SER CA . 10149 1 1196 . 1 1 101 101 SER HA H 1 4.174 0.030 . 1 . . . . 101 SER HA . 10149 1 1197 . 1 1 101 101 SER CB C 13 62.609 0.300 . 1 . . . . 101 SER CB . 10149 1 1198 . 1 1 101 101 SER HB2 H 1 3.918 0.030 . 2 . . . . 101 SER HB2 . 10149 1 1199 . 1 1 101 101 SER HB3 H 1 3.715 0.030 . 2 . . . . 101 SER HB3 . 10149 1 1200 . 1 1 101 101 SER C C 13 176.476 0.300 . 1 . . . . 101 SER C . 10149 1 1201 . 1 1 102 102 MET N N 15 120.653 0.300 . 1 . . . . 102 MET N . 10149 1 1202 . 1 1 102 102 MET H H 1 8.027 0.030 . 1 . . . . 102 MET H . 10149 1 1203 . 1 1 102 102 MET CA C 13 56.380 0.300 . 1 . . . . 102 MET CA . 10149 1 1204 . 1 1 102 102 MET HA H 1 4.508 0.030 . 1 . . . . 102 MET HA . 10149 1 1205 . 1 1 102 102 MET CB C 13 30.731 0.300 . 1 . . . . 102 MET CB . 10149 1 1206 . 1 1 102 102 MET HB2 H 1 2.153 0.030 . 2 . . . . 102 MET HB2 . 10149 1 1207 . 1 1 102 102 MET HB3 H 1 1.956 0.030 . 2 . . . . 102 MET HB3 . 10149 1 1208 . 1 1 102 102 MET CG C 13 32.143 0.300 . 1 . . . . 102 MET CG . 10149 1 1209 . 1 1 102 102 MET HG2 H 1 2.644 0.030 . 2 . . . . 102 MET HG2 . 10149 1 1210 . 1 1 102 102 MET HG3 H 1 2.511 0.030 . 2 . . . . 102 MET HG3 . 10149 1 1211 . 1 1 102 102 MET CE C 13 15.276 0.300 . 1 . . . . 102 MET CE . 10149 1 1212 . 1 1 102 102 MET HE1 H 1 1.753 0.030 . 1 . . . . 102 MET HE . 10149 1 1213 . 1 1 102 102 MET HE2 H 1 1.753 0.030 . 1 . . . . 102 MET HE . 10149 1 1214 . 1 1 102 102 MET HE3 H 1 1.753 0.030 . 1 . . . . 102 MET HE . 10149 1 1215 . 1 1 102 102 MET C C 13 178.903 0.300 . 1 . . . . 102 MET C . 10149 1 1216 . 1 1 103 103 VAL N N 15 119.836 0.300 . 1 . . . . 103 VAL N . 10149 1 1217 . 1 1 103 103 VAL H H 1 8.556 0.030 . 1 . . . . 103 VAL H . 10149 1 1218 . 1 1 103 103 VAL CA C 13 67.049 0.300 . 1 . . . . 103 VAL CA . 10149 1 1219 . 1 1 103 103 VAL HA H 1 3.370 0.030 . 1 . . . . 103 VAL HA . 10149 1 1220 . 1 1 103 103 VAL CB C 13 31.583 0.300 . 1 . . . . 103 VAL CB . 10149 1 1221 . 1 1 103 103 VAL HB H 1 2.168 0.030 . 1 . . . . 103 VAL HB . 10149 1 1222 . 1 1 103 103 VAL CG1 C 13 24.135 0.300 . 2 . . . . 103 VAL CG1 . 10149 1 1223 . 1 1 103 103 VAL HG11 H 1 1.031 0.030 . 1 . . . . 103 VAL HG1 . 10149 1 1224 . 1 1 103 103 VAL HG12 H 1 1.031 0.030 . 1 . . . . 103 VAL HG1 . 10149 1 1225 . 1 1 103 103 VAL HG13 H 1 1.031 0.030 . 1 . . . . 103 VAL HG1 . 10149 1 1226 . 1 1 103 103 VAL CG2 C 13 21.087 0.300 . 2 . . . . 103 VAL CG2 . 10149 1 1227 . 1 1 103 103 VAL HG21 H 1 0.802 0.030 . 1 . . . . 103 VAL HG2 . 10149 1 1228 . 1 1 103 103 VAL HG22 H 1 0.802 0.030 . 1 . . . . 103 VAL HG2 . 10149 1 1229 . 1 1 103 103 VAL HG23 H 1 0.802 0.030 . 1 . . . . 103 VAL HG2 . 10149 1 1230 . 1 1 103 103 VAL C C 13 179.225 0.300 . 1 . . . . 103 VAL C . 10149 1 1231 . 1 1 104 104 MET N N 15 120.390 0.300 . 1 . . . . 104 MET N . 10149 1 1232 . 1 1 104 104 MET H H 1 8.112 0.030 . 1 . . . . 104 MET H . 10149 1 1233 . 1 1 104 104 MET CA C 13 58.991 0.300 . 1 . . . . 104 MET CA . 10149 1 1234 . 1 1 104 104 MET HA H 1 4.047 0.030 . 1 . . . . 104 MET HA . 10149 1 1235 . 1 1 104 104 MET CB C 13 31.979 0.300 . 1 . . . . 104 MET CB . 10149 1 1236 . 1 1 104 104 MET HB2 H 1 2.156 0.030 . 2 . . . . 104 MET HB2 . 10149 1 1237 . 1 1 104 104 MET HB3 H 1 2.246 0.030 . 2 . . . . 104 MET HB3 . 10149 1 1238 . 1 1 104 104 MET CG C 13 31.895 0.300 . 1 . . . . 104 MET CG . 10149 1 1239 . 1 1 104 104 MET HG2 H 1 2.553 0.030 . 2 . . . . 104 MET HG2 . 10149 1 1240 . 1 1 104 104 MET HG3 H 1 2.739 0.030 . 2 . . . . 104 MET HG3 . 10149 1 1241 . 1 1 104 104 MET CE C 13 16.891 0.300 . 1 . . . . 104 MET CE . 10149 1 1242 . 1 1 104 104 MET HE1 H 1 2.065 0.030 . 1 . . . . 104 MET HE . 10149 1 1243 . 1 1 104 104 MET HE2 H 1 2.065 0.030 . 1 . . . . 104 MET HE . 10149 1 1244 . 1 1 104 104 MET HE3 H 1 2.065 0.030 . 1 . . . . 104 MET HE . 10149 1 1245 . 1 1 104 104 MET C C 13 178.210 0.300 . 1 . . . . 104 MET C . 10149 1 1246 . 1 1 105 105 TYR N N 15 120.956 0.300 . 1 . . . . 105 TYR N . 10149 1 1247 . 1 1 105 105 TYR H H 1 8.185 0.030 . 1 . . . . 105 TYR H . 10149 1 1248 . 1 1 105 105 TYR CA C 13 61.449 0.300 . 1 . . . . 105 TYR CA . 10149 1 1249 . 1 1 105 105 TYR HA H 1 4.317 0.030 . 1 . . . . 105 TYR HA . 10149 1 1250 . 1 1 105 105 TYR CB C 13 40.259 0.300 . 1 . . . . 105 TYR CB . 10149 1 1251 . 1 1 105 105 TYR HB2 H 1 3.158 0.030 . 2 . . . . 105 TYR HB2 . 10149 1 1252 . 1 1 105 105 TYR HB3 H 1 2.932 0.030 . 2 . . . . 105 TYR HB3 . 10149 1 1253 . 1 1 105 105 TYR CD1 C 13 132.743 0.300 . 1 . . . . 105 TYR CD1 . 10149 1 1254 . 1 1 105 105 TYR HD1 H 1 6.990 0.030 . 1 . . . . 105 TYR HD1 . 10149 1 1255 . 1 1 105 105 TYR CD2 C 13 132.743 0.300 . 1 . . . . 105 TYR CD2 . 10149 1 1256 . 1 1 105 105 TYR HD2 H 1 6.990 0.030 . 1 . . . . 105 TYR HD2 . 10149 1 1257 . 1 1 105 105 TYR CE1 C 13 118.943 0.300 . 1 . . . . 105 TYR CE1 . 10149 1 1258 . 1 1 105 105 TYR HE1 H 1 7.006 0.030 . 1 . . . . 105 TYR HE1 . 10149 1 1259 . 1 1 105 105 TYR CE2 C 13 118.943 0.300 . 1 . . . . 105 TYR CE2 . 10149 1 1260 . 1 1 105 105 TYR HE2 H 1 7.006 0.030 . 1 . . . . 105 TYR HE2 . 10149 1 1261 . 1 1 105 105 TYR C C 13 177.805 0.300 . 1 . . . . 105 TYR C . 10149 1 1262 . 1 1 106 106 LEU N N 15 116.468 0.300 . 1 . . . . 106 LEU N . 10149 1 1263 . 1 1 106 106 LEU H H 1 9.088 0.030 . 1 . . . . 106 LEU H . 10149 1 1264 . 1 1 106 106 LEU CA C 13 57.744 0.300 . 1 . . . . 106 LEU CA . 10149 1 1265 . 1 1 106 106 LEU HA H 1 4.139 0.030 . 1 . . . . 106 LEU HA . 10149 1 1266 . 1 1 106 106 LEU CB C 13 42.285 0.300 . 1 . . . . 106 LEU CB . 10149 1 1267 . 1 1 106 106 LEU HB2 H 1 1.846 0.030 . 2 . . . . 106 LEU HB2 . 10149 1 1268 . 1 1 106 106 LEU HB3 H 1 0.998 0.030 . 2 . . . . 106 LEU HB3 . 10149 1 1269 . 1 1 106 106 LEU CG C 13 27.136 0.300 . 1 . . . . 106 LEU CG . 10149 1 1270 . 1 1 106 106 LEU HG H 1 1.581 0.030 . 1 . . . . 106 LEU HG . 10149 1 1271 . 1 1 106 106 LEU CD1 C 13 24.577 0.300 . 2 . . . . 106 LEU CD1 . 10149 1 1272 . 1 1 106 106 LEU HD11 H 1 -0.250 0.030 . 1 . . . . 106 LEU HD1 . 10149 1 1273 . 1 1 106 106 LEU HD12 H 1 -0.250 0.030 . 1 . . . . 106 LEU HD1 . 10149 1 1274 . 1 1 106 106 LEU HD13 H 1 -0.250 0.030 . 1 . . . . 106 LEU HD1 . 10149 1 1275 . 1 1 106 106 LEU CD2 C 13 21.652 0.300 . 2 . . . . 106 LEU CD2 . 10149 1 1276 . 1 1 106 106 LEU HD21 H 1 0.214 0.030 . 1 . . . . 106 LEU HD2 . 10149 1 1277 . 1 1 106 106 LEU HD22 H 1 0.214 0.030 . 1 . . . . 106 LEU HD2 . 10149 1 1278 . 1 1 106 106 LEU HD23 H 1 0.214 0.030 . 1 . . . . 106 LEU HD2 . 10149 1 1279 . 1 1 106 106 LEU C C 13 180.758 0.300 . 1 . . . . 106 LEU C . 10149 1 1280 . 1 1 107 107 SER N N 15 114.570 0.300 . 1 . . . . 107 SER N . 10149 1 1281 . 1 1 107 107 SER H H 1 8.338 0.030 . 1 . . . . 107 SER H . 10149 1 1282 . 1 1 107 107 SER CA C 13 63.030 0.300 . 1 . . . . 107 SER CA . 10149 1 1283 . 1 1 107 107 SER HA H 1 4.016 0.030 . 1 . . . . 107 SER HA . 10149 1 1284 . 1 1 107 107 SER CB C 13 62.866 0.300 . 1 . . . . 107 SER CB . 10149 1 1285 . 1 1 107 107 SER HB2 H 1 3.998 0.030 . 2 . . . . 107 SER HB2 . 10149 1 1286 . 1 1 107 107 SER HB3 H 1 3.903 0.030 . 2 . . . . 107 SER HB3 . 10149 1 1287 . 1 1 107 107 SER C C 13 175.377 0.300 . 1 . . . . 107 SER C . 10149 1 1288 . 1 1 108 108 LYS N N 15 120.221 0.300 . 1 . . . . 108 LYS N . 10149 1 1289 . 1 1 108 108 LYS H H 1 7.522 0.030 . 1 . . . . 108 LYS H . 10149 1 1290 . 1 1 108 108 LYS CA C 13 58.870 0.300 . 1 . . . . 108 LYS CA . 10149 1 1291 . 1 1 108 108 LYS HA H 1 3.910 0.030 . 1 . . . . 108 LYS HA . 10149 1 1292 . 1 1 108 108 LYS CB C 13 31.719 0.300 . 1 . . . . 108 LYS CB . 10149 1 1293 . 1 1 108 108 LYS HB2 H 1 1.866 0.030 . 2 . . . . 108 LYS HB2 . 10149 1 1294 . 1 1 108 108 LYS HB3 H 1 1.387 0.030 . 2 . . . . 108 LYS HB3 . 10149 1 1295 . 1 1 108 108 LYS CG C 13 25.441 0.300 . 1 . . . . 108 LYS CG . 10149 1 1296 . 1 1 108 108 LYS HG2 H 1 1.449 0.030 . 2 . . . . 108 LYS HG2 . 10149 1 1297 . 1 1 108 108 LYS HG3 H 1 1.717 0.030 . 2 . . . . 108 LYS HG3 . 10149 1 1298 . 1 1 108 108 LYS CD C 13 29.348 0.300 . 1 . . . . 108 LYS CD . 10149 1 1299 . 1 1 108 108 LYS HD2 H 1 1.604 0.030 . 1 . . . . 108 LYS HD2 . 10149 1 1300 . 1 1 108 108 LYS HD3 H 1 1.604 0.030 . 1 . . . . 108 LYS HD3 . 10149 1 1301 . 1 1 108 108 LYS CE C 13 42.519 0.300 . 1 . . . . 108 LYS CE . 10149 1 1302 . 1 1 108 108 LYS HE2 H 1 2.981 0.030 . 2 . . . . 108 LYS HE2 . 10149 1 1303 . 1 1 108 108 LYS HE3 H 1 2.921 0.030 . 2 . . . . 108 LYS HE3 . 10149 1 1304 . 1 1 108 108 LYS C C 13 179.587 0.300 . 1 . . . . 108 LYS C . 10149 1 1305 . 1 1 109 109 PHE N N 15 118.900 0.300 . 1 . . . . 109 PHE N . 10149 1 1306 . 1 1 109 109 PHE H H 1 7.282 0.030 . 1 . . . . 109 PHE H . 10149 1 1307 . 1 1 109 109 PHE CA C 13 61.501 0.300 . 1 . . . . 109 PHE CA . 10149 1 1308 . 1 1 109 109 PHE HA H 1 3.550 0.030 . 1 . . . . 109 PHE HA . 10149 1 1309 . 1 1 109 109 PHE CB C 13 38.201 0.300 . 1 . . . . 109 PHE CB . 10149 1 1310 . 1 1 109 109 PHE HB2 H 1 3.362 0.030 . 2 . . . . 109 PHE HB2 . 10149 1 1311 . 1 1 109 109 PHE HB3 H 1 2.872 0.030 . 2 . . . . 109 PHE HB3 . 10149 1 1312 . 1 1 109 109 PHE CD1 C 13 131.254 0.300 . 1 . . . . 109 PHE CD1 . 10149 1 1313 . 1 1 109 109 PHE HD1 H 1 7.195 0.030 . 1 . . . . 109 PHE HD1 . 10149 1 1314 . 1 1 109 109 PHE CD2 C 13 131.254 0.300 . 1 . . . . 109 PHE CD2 . 10149 1 1315 . 1 1 109 109 PHE HD2 H 1 7.195 0.030 . 1 . . . . 109 PHE HD2 . 10149 1 1316 . 1 1 109 109 PHE CE1 C 13 131.343 0.300 . 1 . . . . 109 PHE CE1 . 10149 1 1317 . 1 1 109 109 PHE HE1 H 1 6.626 0.030 . 1 . . . . 109 PHE HE1 . 10149 1 1318 . 1 1 109 109 PHE CE2 C 13 131.343 0.300 . 1 . . . . 109 PHE CE2 . 10149 1 1319 . 1 1 109 109 PHE HE2 H 1 6.626 0.030 . 1 . . . . 109 PHE HE2 . 10149 1 1320 . 1 1 109 109 PHE CZ C 13 130.137 0.300 . 1 . . . . 109 PHE CZ . 10149 1 1321 . 1 1 109 109 PHE HZ H 1 7.276 0.030 . 1 . . . . 109 PHE HZ . 10149 1 1322 . 1 1 109 109 PHE C C 13 176.181 0.300 . 1 . . . . 109 PHE C . 10149 1 1323 . 1 1 110 110 TYR N N 15 120.089 0.300 . 1 . . . . 110 TYR N . 10149 1 1324 . 1 1 110 110 TYR H H 1 7.417 0.030 . 1 . . . . 110 TYR H . 10149 1 1325 . 1 1 110 110 TYR CA C 13 60.263 0.300 . 1 . . . . 110 TYR CA . 10149 1 1326 . 1 1 110 110 TYR HA H 1 2.584 0.030 . 1 . . . . 110 TYR HA . 10149 1 1327 . 1 1 110 110 TYR CB C 13 38.138 0.300 . 1 . . . . 110 TYR CB . 10149 1 1328 . 1 1 110 110 TYR HB2 H 1 2.055 0.030 . 2 . . . . 110 TYR HB2 . 10149 1 1329 . 1 1 110 110 TYR HB3 H 1 2.734 0.030 . 2 . . . . 110 TYR HB3 . 10149 1 1330 . 1 1 110 110 TYR CD1 C 13 132.674 0.300 . 1 . . . . 110 TYR CD1 . 10149 1 1331 . 1 1 110 110 TYR HD1 H 1 5.994 0.030 . 1 . . . . 110 TYR HD1 . 10149 1 1332 . 1 1 110 110 TYR CD2 C 13 132.674 0.300 . 1 . . . . 110 TYR CD2 . 10149 1 1333 . 1 1 110 110 TYR HD2 H 1 5.994 0.030 . 1 . . . . 110 TYR HD2 . 10149 1 1334 . 1 1 110 110 TYR CE1 C 13 117.373 0.300 . 1 . . . . 110 TYR CE1 . 10149 1 1335 . 1 1 110 110 TYR HE1 H 1 6.357 0.030 . 1 . . . . 110 TYR HE1 . 10149 1 1336 . 1 1 110 110 TYR CE2 C 13 117.373 0.300 . 1 . . . . 110 TYR CE2 . 10149 1 1337 . 1 1 110 110 TYR HE2 H 1 6.357 0.030 . 1 . . . . 110 TYR HE2 . 10149 1 1338 . 1 1 110 110 TYR C C 13 176.298 0.300 . 1 . . . . 110 TYR C . 10149 1 1339 . 1 1 111 111 GLU N N 15 115.750 0.300 . 1 . . . . 111 GLU N . 10149 1 1340 . 1 1 111 111 GLU H H 1 7.899 0.030 . 1 . . . . 111 GLU H . 10149 1 1341 . 1 1 111 111 GLU CA C 13 58.712 0.300 . 1 . . . . 111 GLU CA . 10149 1 1342 . 1 1 111 111 GLU HA H 1 3.528 0.030 . 1 . . . . 111 GLU HA . 10149 1 1343 . 1 1 111 111 GLU CB C 13 29.429 0.300 . 1 . . . . 111 GLU CB . 10149 1 1344 . 1 1 111 111 GLU HB2 H 1 1.796 0.030 . 1 . . . . 111 GLU HB2 . 10149 1 1345 . 1 1 111 111 GLU HB3 H 1 1.796 0.030 . 1 . . . . 111 GLU HB3 . 10149 1 1346 . 1 1 111 111 GLU CG C 13 36.121 0.300 . 1 . . . . 111 GLU CG . 10149 1 1347 . 1 1 111 111 GLU HG2 H 1 2.190 0.030 . 2 . . . . 111 GLU HG2 . 10149 1 1348 . 1 1 111 111 GLU HG3 H 1 2.274 0.030 . 2 . . . . 111 GLU HG3 . 10149 1 1349 . 1 1 111 111 GLU C C 13 178.367 0.300 . 1 . . . . 111 GLU C . 10149 1 1350 . 1 1 112 112 LEU N N 15 118.646 0.300 . 1 . . . . 112 LEU N . 10149 1 1351 . 1 1 112 112 LEU H H 1 6.922 0.030 . 1 . . . . 112 LEU H . 10149 1 1352 . 1 1 112 112 LEU CA C 13 57.107 0.300 . 1 . . . . 112 LEU CA . 10149 1 1353 . 1 1 112 112 LEU HA H 1 3.775 0.030 . 1 . . . . 112 LEU HA . 10149 1 1354 . 1 1 112 112 LEU CB C 13 42.499 0.300 . 1 . . . . 112 LEU CB . 10149 1 1355 . 1 1 112 112 LEU HB2 H 1 0.991 0.030 . 2 . . . . 112 LEU HB2 . 10149 1 1356 . 1 1 112 112 LEU HB3 H 1 0.840 0.030 . 2 . . . . 112 LEU HB3 . 10149 1 1357 . 1 1 112 112 LEU CG C 13 26.117 0.300 . 1 . . . . 112 LEU CG . 10149 1 1358 . 1 1 112 112 LEU HG H 1 0.480 0.030 . 1 . . . . 112 LEU HG . 10149 1 1359 . 1 1 112 112 LEU CD1 C 13 23.014 0.300 . 2 . . . . 112 LEU CD1 . 10149 1 1360 . 1 1 112 112 LEU HD11 H 1 0.486 0.030 . 1 . . . . 112 LEU HD1 . 10149 1 1361 . 1 1 112 112 LEU HD12 H 1 0.486 0.030 . 1 . . . . 112 LEU HD1 . 10149 1 1362 . 1 1 112 112 LEU HD13 H 1 0.486 0.030 . 1 . . . . 112 LEU HD1 . 10149 1 1363 . 1 1 112 112 LEU CD2 C 13 25.486 0.300 . 2 . . . . 112 LEU CD2 . 10149 1 1364 . 1 1 112 112 LEU HD21 H 1 -0.199 0.030 . 1 . . . . 112 LEU HD2 . 10149 1 1365 . 1 1 112 112 LEU HD22 H 1 -0.199 0.030 . 1 . . . . 112 LEU HD2 . 10149 1 1366 . 1 1 112 112 LEU HD23 H 1 -0.199 0.030 . 1 . . . . 112 LEU HD2 . 10149 1 1367 . 1 1 112 112 LEU C C 13 178.820 0.300 . 1 . . . . 112 LEU C . 10149 1 1368 . 1 1 113 113 PHE N N 15 114.884 0.300 . 1 . . . . 113 PHE N . 10149 1 1369 . 1 1 113 113 PHE H H 1 7.723 0.030 . 1 . . . . 113 PHE H . 10149 1 1370 . 1 1 113 113 PHE CA C 13 57.108 0.300 . 1 . . . . 113 PHE CA . 10149 1 1371 . 1 1 113 113 PHE HA H 1 4.495 0.030 . 1 . . . . 113 PHE HA . 10149 1 1372 . 1 1 113 113 PHE CB C 13 38.324 0.300 . 1 . . . . 113 PHE CB . 10149 1 1373 . 1 1 113 113 PHE HB2 H 1 2.399 0.030 . 2 . . . . 113 PHE HB2 . 10149 1 1374 . 1 1 113 113 PHE HB3 H 1 2.064 0.030 . 2 . . . . 113 PHE HB3 . 10149 1 1375 . 1 1 113 113 PHE CD1 C 13 130.997 0.300 . 1 . . . . 113 PHE CD1 . 10149 1 1376 . 1 1 113 113 PHE HD1 H 1 6.864 0.030 . 1 . . . . 113 PHE HD1 . 10149 1 1377 . 1 1 113 113 PHE CD2 C 13 130.997 0.300 . 1 . . . . 113 PHE CD2 . 10149 1 1378 . 1 1 113 113 PHE HD2 H 1 6.864 0.030 . 1 . . . . 113 PHE HD2 . 10149 1 1379 . 1 1 113 113 PHE CE1 C 13 130.128 0.300 . 1 . . . . 113 PHE CE1 . 10149 1 1380 . 1 1 113 113 PHE HE1 H 1 6.881 0.030 . 1 . . . . 113 PHE HE1 . 10149 1 1381 . 1 1 113 113 PHE CE2 C 13 130.128 0.300 . 1 . . . . 113 PHE CE2 . 10149 1 1382 . 1 1 113 113 PHE HE2 H 1 6.881 0.030 . 1 . . . . 113 PHE HE2 . 10149 1 1383 . 1 1 113 113 PHE CZ C 13 128.646 0.300 . 1 . . . . 113 PHE CZ . 10149 1 1384 . 1 1 113 113 PHE HZ H 1 6.585 0.030 . 1 . . . . 113 PHE HZ . 10149 1 1385 . 1 1 113 113 PHE C C 13 177.445 0.300 . 1 . . . . 113 PHE C . 10149 1 1386 . 1 1 114 114 ARG N N 15 119.913 0.300 . 1 . . . . 114 ARG N . 10149 1 1387 . 1 1 114 114 ARG H H 1 7.840 0.030 . 1 . . . . 114 ARG H . 10149 1 1388 . 1 1 114 114 ARG CA C 13 57.747 0.300 . 1 . . . . 114 ARG CA . 10149 1 1389 . 1 1 114 114 ARG HA H 1 4.164 0.030 . 1 . . . . 114 ARG HA . 10149 1 1390 . 1 1 114 114 ARG CB C 13 28.994 0.300 . 1 . . . . 114 ARG CB . 10149 1 1391 . 1 1 114 114 ARG HB2 H 1 1.330 0.030 . 2 . . . . 114 ARG HB2 . 10149 1 1392 . 1 1 114 114 ARG HB3 H 1 1.170 0.030 . 2 . . . . 114 ARG HB3 . 10149 1 1393 . 1 1 114 114 ARG CG C 13 26.230 0.300 . 1 . . . . 114 ARG CG . 10149 1 1394 . 1 1 114 114 ARG HG2 H 1 1.297 0.030 . 2 . . . . 114 ARG HG2 . 10149 1 1395 . 1 1 114 114 ARG HG3 H 1 1.176 0.030 . 2 . . . . 114 ARG HG3 . 10149 1 1396 . 1 1 114 114 ARG CD C 13 43.142 0.300 . 1 . . . . 114 ARG CD . 10149 1 1397 . 1 1 114 114 ARG HD2 H 1 2.254 0.030 . 2 . . . . 114 ARG HD2 . 10149 1 1398 . 1 1 114 114 ARG HD3 H 1 2.527 0.030 . 2 . . . . 114 ARG HD3 . 10149 1 1399 . 1 1 114 114 ARG C C 13 177.051 0.300 . 1 . . . . 114 ARG C . 10149 1 1400 . 1 1 115 115 GLY N N 15 108.376 0.300 . 1 . . . . 115 GLY N . 10149 1 1401 . 1 1 115 115 GLY H H 1 8.070 0.030 . 1 . . . . 115 GLY H . 10149 1 1402 . 1 1 115 115 GLY CA C 13 45.201 0.300 . 1 . . . . 115 GLY CA . 10149 1 1403 . 1 1 115 115 GLY HA2 H 1 3.873 0.030 . 2 . . . . 115 GLY HA2 . 10149 1 1404 . 1 1 115 115 GLY HA3 H 1 3.988 0.030 . 2 . . . . 115 GLY HA3 . 10149 1 1405 . 1 1 115 115 GLY C C 13 173.987 0.300 . 1 . . . . 115 GLY C . 10149 1 1406 . 1 1 116 116 THR N N 15 116.618 0.300 . 1 . . . . 116 THR N . 10149 1 1407 . 1 1 116 116 THR H H 1 7.858 0.030 . 1 . . . . 116 THR H . 10149 1 1408 . 1 1 116 116 THR CA C 13 60.032 0.300 . 1 . . . . 116 THR CA . 10149 1 1409 . 1 1 116 116 THR HA H 1 4.620 0.030 . 1 . . . . 116 THR HA . 10149 1 1410 . 1 1 116 116 THR CB C 13 70.082 0.300 . 1 . . . . 116 THR CB . 10149 1 1411 . 1 1 116 116 THR HB H 1 4.225 0.030 . 1 . . . . 116 THR HB . 10149 1 1412 . 1 1 116 116 THR CG2 C 13 21.354 0.300 . 1 . . . . 116 THR CG2 . 10149 1 1413 . 1 1 116 116 THR HG21 H 1 1.307 0.030 . 1 . . . . 116 THR HG2 . 10149 1 1414 . 1 1 116 116 THR HG22 H 1 1.307 0.030 . 1 . . . . 116 THR HG2 . 10149 1 1415 . 1 1 116 116 THR HG23 H 1 1.307 0.030 . 1 . . . . 116 THR HG2 . 10149 1 1416 . 1 1 116 116 THR C C 13 172.615 0.300 . 1 . . . . 116 THR C . 10149 1 1417 . 1 1 117 117 PRO CA C 13 63.086 0.300 . 1 . . . . 117 PRO CA . 10149 1 1418 . 1 1 117 117 PRO HA H 1 4.451 0.030 . 1 . . . . 117 PRO HA . 10149 1 1419 . 1 1 117 117 PRO CB C 13 32.220 0.300 . 1 . . . . 117 PRO CB . 10149 1 1420 . 1 1 117 117 PRO HB2 H 1 2.302 0.030 . 2 . . . . 117 PRO HB2 . 10149 1 1421 . 1 1 117 117 PRO HB3 H 1 1.889 0.030 . 2 . . . . 117 PRO HB3 . 10149 1 1422 . 1 1 117 117 PRO CG C 13 27.442 0.300 . 1 . . . . 117 PRO CG . 10149 1 1423 . 1 1 117 117 PRO HG2 H 1 1.989 0.030 . 2 . . . . 117 PRO HG2 . 10149 1 1424 . 1 1 117 117 PRO HG3 H 1 2.029 0.030 . 2 . . . . 117 PRO HG3 . 10149 1 1425 . 1 1 117 117 PRO CD C 13 51.122 0.300 . 1 . . . . 117 PRO CD . 10149 1 1426 . 1 1 117 117 PRO HD2 H 1 3.729 0.030 . 2 . . . . 117 PRO HD2 . 10149 1 1427 . 1 1 117 117 PRO HD3 H 1 3.883 0.030 . 2 . . . . 117 PRO HD3 . 10149 1 1428 . 1 1 117 117 PRO C C 13 176.812 0.300 . 1 . . . . 117 PRO C . 10149 1 1429 . 1 1 118 118 LEU N N 15 122.695 0.300 . 1 . . . . 118 LEU N . 10149 1 1430 . 1 1 118 118 LEU H H 1 8.424 0.030 . 1 . . . . 118 LEU H . 10149 1 1431 . 1 1 118 118 LEU CA C 13 55.266 0.300 . 1 . . . . 118 LEU CA . 10149 1 1432 . 1 1 118 118 LEU HA H 1 4.276 0.030 . 1 . . . . 118 LEU HA . 10149 1 1433 . 1 1 118 118 LEU CB C 13 42.339 0.300 . 1 . . . . 118 LEU CB . 10149 1 1434 . 1 1 118 118 LEU HB2 H 1 1.546 0.030 . 1 . . . . 118 LEU HB2 . 10149 1 1435 . 1 1 118 118 LEU HB3 H 1 1.546 0.030 . 1 . . . . 118 LEU HB3 . 10149 1 1436 . 1 1 118 118 LEU CG C 13 27.136 0.300 . 1 . . . . 118 LEU CG . 10149 1 1437 . 1 1 118 118 LEU HG H 1 1.592 0.030 . 1 . . . . 118 LEU HG . 10149 1 1438 . 1 1 118 118 LEU CD1 C 13 24.792 0.300 . 2 . . . . 118 LEU CD1 . 10149 1 1439 . 1 1 118 118 LEU HD11 H 1 0.836 0.030 . 1 . . . . 118 LEU HD1 . 10149 1 1440 . 1 1 118 118 LEU HD12 H 1 0.836 0.030 . 1 . . . . 118 LEU HD1 . 10149 1 1441 . 1 1 118 118 LEU HD13 H 1 0.836 0.030 . 1 . . . . 118 LEU HD1 . 10149 1 1442 . 1 1 118 118 LEU CD2 C 13 23.914 0.300 . 2 . . . . 118 LEU CD2 . 10149 1 1443 . 1 1 118 118 LEU HD21 H 1 0.814 0.030 . 1 . . . . 118 LEU HD2 . 10149 1 1444 . 1 1 118 118 LEU HD22 H 1 0.814 0.030 . 1 . . . . 118 LEU HD2 . 10149 1 1445 . 1 1 118 118 LEU HD23 H 1 0.814 0.030 . 1 . . . . 118 LEU HD2 . 10149 1 1446 . 1 1 118 118 LEU C C 13 177.027 0.300 . 1 . . . . 118 LEU C . 10149 1 1447 . 1 1 119 119 ARG N N 15 122.979 0.300 . 1 . . . . 119 ARG N . 10149 1 1448 . 1 1 119 119 ARG H H 1 8.250 0.030 . 1 . . . . 119 ARG H . 10149 1 1449 . 1 1 119 119 ARG CA C 13 53.688 0.300 . 1 . . . . 119 ARG CA . 10149 1 1450 . 1 1 119 119 ARG HA H 1 4.644 0.030 . 1 . . . . 119 ARG HA . 10149 1 1451 . 1 1 119 119 ARG CB C 13 30.469 0.300 . 1 . . . . 119 ARG CB . 10149 1 1452 . 1 1 119 119 ARG HB2 H 1 1.834 0.030 . 2 . . . . 119 ARG HB2 . 10149 1 1453 . 1 1 119 119 ARG HB3 H 1 1.717 0.030 . 2 . . . . 119 ARG HB3 . 10149 1 1454 . 1 1 119 119 ARG CG C 13 27.027 0.300 . 1 . . . . 119 ARG CG . 10149 1 1455 . 1 1 119 119 ARG HG2 H 1 1.637 0.030 . 1 . . . . 119 ARG HG2 . 10149 1 1456 . 1 1 119 119 ARG HG3 H 1 1.637 0.030 . 1 . . . . 119 ARG HG3 . 10149 1 1457 . 1 1 119 119 ARG CD C 13 43.406 0.300 . 1 . . . . 119 ARG CD . 10149 1 1458 . 1 1 119 119 ARG HD2 H 1 3.198 0.030 . 1 . . . . 119 ARG HD2 . 10149 1 1459 . 1 1 119 119 ARG HD3 H 1 3.198 0.030 . 1 . . . . 119 ARG HD3 . 10149 1 1460 . 1 1 119 119 ARG C C 13 174.019 0.300 . 1 . . . . 119 ARG C . 10149 1 1461 . 1 1 120 120 PRO CA C 13 63.366 0.300 . 1 . . . . 120 PRO CA . 10149 1 1462 . 1 1 120 120 PRO HA H 1 4.440 0.030 . 1 . . . . 120 PRO HA . 10149 1 1463 . 1 1 120 120 PRO CB C 13 31.958 0.300 . 1 . . . . 120 PRO CB . 10149 1 1464 . 1 1 120 120 PRO HB2 H 1 2.254 0.030 . 2 . . . . 120 PRO HB2 . 10149 1 1465 . 1 1 120 120 PRO HB3 H 1 1.958 0.030 . 2 . . . . 120 PRO HB3 . 10149 1 1466 . 1 1 120 120 PRO CG C 13 27.507 0.300 . 1 . . . . 120 PRO CG . 10149 1 1467 . 1 1 120 120 PRO HG2 H 1 2.031 0.030 . 1 . . . . 120 PRO HG2 . 10149 1 1468 . 1 1 120 120 PRO HG3 H 1 2.031 0.030 . 1 . . . . 120 PRO HG3 . 10149 1 1469 . 1 1 120 120 PRO CD C 13 50.671 0.300 . 1 . . . . 120 PRO CD . 10149 1 1470 . 1 1 120 120 PRO HD2 H 1 3.645 0.030 . 2 . . . . 120 PRO HD2 . 10149 1 1471 . 1 1 120 120 PRO HD3 H 1 3.770 0.030 . 2 . . . . 120 PRO HD3 . 10149 1 1472 . 1 1 120 120 PRO C C 13 176.104 0.300 . 1 . . . . 120 PRO C . 10149 1 1473 . 1 1 121 121 VAL N N 15 124.014 0.300 . 1 . . . . 121 VAL N . 10149 1 1474 . 1 1 121 121 VAL H H 1 7.736 0.030 . 1 . . . . 121 VAL H . 10149 1 1475 . 1 1 121 121 VAL CA C 13 63.692 0.300 . 1 . . . . 121 VAL CA . 10149 1 1476 . 1 1 121 121 VAL HA H 1 3.994 0.030 . 1 . . . . 121 VAL HA . 10149 1 1477 . 1 1 121 121 VAL CB C 13 33.279 0.300 . 1 . . . . 121 VAL CB . 10149 1 1478 . 1 1 121 121 VAL HB H 1 2.058 0.030 . 1 . . . . 121 VAL HB . 10149 1 1479 . 1 1 121 121 VAL CG1 C 13 21.621 0.300 . 2 . . . . 121 VAL CG1 . 10149 1 1480 . 1 1 121 121 VAL HG11 H 1 0.913 0.030 . 1 . . . . 121 VAL HG1 . 10149 1 1481 . 1 1 121 121 VAL HG12 H 1 0.913 0.030 . 1 . . . . 121 VAL HG1 . 10149 1 1482 . 1 1 121 121 VAL HG13 H 1 0.913 0.030 . 1 . . . . 121 VAL HG1 . 10149 1 1483 . 1 1 121 121 VAL CG2 C 13 20.230 0.300 . 2 . . . . 121 VAL CG2 . 10149 1 1484 . 1 1 121 121 VAL HG21 H 1 0.887 0.030 . 1 . . . . 121 VAL HG2 . 10149 1 1485 . 1 1 121 121 VAL HG22 H 1 0.887 0.030 . 1 . . . . 121 VAL HG2 . 10149 1 1486 . 1 1 121 121 VAL HG23 H 1 0.887 0.030 . 1 . . . . 121 VAL HG2 . 10149 1 1487 . 1 1 121 121 VAL C C 13 181.165 0.300 . 1 . . . . 121 VAL C . 10149 1 stop_ save_