data_10251 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10251 _Entry.Title ; Solution structure of the C-terminal PH domain of human pleckstrin 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-20 _Entry.Accession_date 2008-11-20 _Entry.Last_release_date 2009-11-20 _Entry.Original_release_date 2009-11-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 H. Li . . . 10251 2 T. Tomizawa . . . 10251 3 S. Koshiba . . . 10251 4 M. Inoue . . . 10251 5 T. Kigawa . . . 10251 6 S. Yokoyama . . . 10251 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' 10251 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10251 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 550 10251 '15N chemical shifts' 124 10251 '1H chemical shifts' 855 10251 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 . . 2009-11-20 2008-11-20 original author . 10251 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X1G 'BMRB Entry Tracking System' 10251 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10251 _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 C-terminal PH domain of human pleckstrin 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 H. Li . . . 10251 1 2 T. Tomizawa . . . 10251 1 3 S. Koshiba . . . 10251 1 4 M. Inoue . . . 10251 1 5 T. Kigawa . . . 10251 1 6 S. Yokoyama . . . 10251 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10251 _Assembly.ID 1 _Assembly.Name 'Pleckstrin 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 'PH domain' 1 $entity_1 . . yes native no no . . . 10251 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 1X1G . . . . . . 10251 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10251 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH 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 ; GSSGSSGSLSTVELSGTVVK QGYLAKQGHKRKNWKVRRFV LRKDPAFLHYYDPSKEENRP VGGFSLRGSLVSALEDNGVP TGVKGNVQGNLFKVITKDDT HYYIQASSKAERAEWIEAIK KLTSGPSSG ; _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 129 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1X1G . "Solution Structure Of The C-Terminal Ph Domain Of Human Pleckstrin 2" . . . . . 100.00 129 100.00 100.00 4.73e-87 . . . . 10251 1 2 no REF XP_011384462 . "PREDICTED: pleckstrin-2 [Pteropus vampyrus]" . . . . . 89.92 417 97.41 99.14 3.89e-73 . . . . 10251 1 3 no REF XP_011534947 . "PREDICTED: pleckstrin-2 isoform X2 [Homo sapiens]" . . . . . 89.92 218 100.00 100.00 3.38e-78 . . . . 10251 1 4 no REF XP_011724706 . "PREDICTED: pleckstrin-2 isoform X2 [Macaca nemestrina]" . . . . . 89.92 308 98.28 99.14 8.07e-76 . . . . 10251 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 . 10251 1 2 . SER . 10251 1 3 . SER . 10251 1 4 . GLY . 10251 1 5 . SER . 10251 1 6 . SER . 10251 1 7 . GLY . 10251 1 8 . SER . 10251 1 9 . LEU . 10251 1 10 . SER . 10251 1 11 . THR . 10251 1 12 . VAL . 10251 1 13 . GLU . 10251 1 14 . LEU . 10251 1 15 . SER . 10251 1 16 . GLY . 10251 1 17 . THR . 10251 1 18 . VAL . 10251 1 19 . VAL . 10251 1 20 . LYS . 10251 1 21 . GLN . 10251 1 22 . GLY . 10251 1 23 . TYR . 10251 1 24 . LEU . 10251 1 25 . ALA . 10251 1 26 . LYS . 10251 1 27 . GLN . 10251 1 28 . GLY . 10251 1 29 . HIS . 10251 1 30 . LYS . 10251 1 31 . ARG . 10251 1 32 . LYS . 10251 1 33 . ASN . 10251 1 34 . TRP . 10251 1 35 . LYS . 10251 1 36 . VAL . 10251 1 37 . ARG . 10251 1 38 . ARG . 10251 1 39 . PHE . 10251 1 40 . VAL . 10251 1 41 . LEU . 10251 1 42 . ARG . 10251 1 43 . LYS . 10251 1 44 . ASP . 10251 1 45 . PRO . 10251 1 46 . ALA . 10251 1 47 . PHE . 10251 1 48 . LEU . 10251 1 49 . HIS . 10251 1 50 . TYR . 10251 1 51 . TYR . 10251 1 52 . ASP . 10251 1 53 . PRO . 10251 1 54 . SER . 10251 1 55 . LYS . 10251 1 56 . GLU . 10251 1 57 . GLU . 10251 1 58 . ASN . 10251 1 59 . ARG . 10251 1 60 . PRO . 10251 1 61 . VAL . 10251 1 62 . GLY . 10251 1 63 . GLY . 10251 1 64 . PHE . 10251 1 65 . SER . 10251 1 66 . LEU . 10251 1 67 . ARG . 10251 1 68 . GLY . 10251 1 69 . SER . 10251 1 70 . LEU . 10251 1 71 . VAL . 10251 1 72 . SER . 10251 1 73 . ALA . 10251 1 74 . LEU . 10251 1 75 . GLU . 10251 1 76 . ASP . 10251 1 77 . ASN . 10251 1 78 . GLY . 10251 1 79 . VAL . 10251 1 80 . PRO . 10251 1 81 . THR . 10251 1 82 . GLY . 10251 1 83 . VAL . 10251 1 84 . LYS . 10251 1 85 . GLY . 10251 1 86 . ASN . 10251 1 87 . VAL . 10251 1 88 . GLN . 10251 1 89 . GLY . 10251 1 90 . ASN . 10251 1 91 . LEU . 10251 1 92 . PHE . 10251 1 93 . LYS . 10251 1 94 . VAL . 10251 1 95 . ILE . 10251 1 96 . THR . 10251 1 97 . LYS . 10251 1 98 . ASP . 10251 1 99 . ASP . 10251 1 100 . THR . 10251 1 101 . HIS . 10251 1 102 . TYR . 10251 1 103 . TYR . 10251 1 104 . ILE . 10251 1 105 . GLN . 10251 1 106 . ALA . 10251 1 107 . SER . 10251 1 108 . SER . 10251 1 109 . LYS . 10251 1 110 . ALA . 10251 1 111 . GLU . 10251 1 112 . ARG . 10251 1 113 . ALA . 10251 1 114 . GLU . 10251 1 115 . TRP . 10251 1 116 . ILE . 10251 1 117 . GLU . 10251 1 118 . ALA . 10251 1 119 . ILE . 10251 1 120 . LYS . 10251 1 121 . LYS . 10251 1 122 . LEU . 10251 1 123 . THR . 10251 1 124 . SER . 10251 1 125 . GLY . 10251 1 126 . PRO . 10251 1 127 . SER . 10251 1 128 . SER . 10251 1 129 . GLY . 10251 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 10251 1 . SER 2 2 10251 1 . SER 3 3 10251 1 . GLY 4 4 10251 1 . SER 5 5 10251 1 . SER 6 6 10251 1 . GLY 7 7 10251 1 . SER 8 8 10251 1 . LEU 9 9 10251 1 . SER 10 10 10251 1 . THR 11 11 10251 1 . VAL 12 12 10251 1 . GLU 13 13 10251 1 . LEU 14 14 10251 1 . SER 15 15 10251 1 . GLY 16 16 10251 1 . THR 17 17 10251 1 . VAL 18 18 10251 1 . VAL 19 19 10251 1 . LYS 20 20 10251 1 . GLN 21 21 10251 1 . GLY 22 22 10251 1 . TYR 23 23 10251 1 . LEU 24 24 10251 1 . ALA 25 25 10251 1 . LYS 26 26 10251 1 . GLN 27 27 10251 1 . GLY 28 28 10251 1 . HIS 29 29 10251 1 . LYS 30 30 10251 1 . ARG 31 31 10251 1 . LYS 32 32 10251 1 . ASN 33 33 10251 1 . TRP 34 34 10251 1 . LYS 35 35 10251 1 . VAL 36 36 10251 1 . ARG 37 37 10251 1 . ARG 38 38 10251 1 . PHE 39 39 10251 1 . VAL 40 40 10251 1 . LEU 41 41 10251 1 . ARG 42 42 10251 1 . LYS 43 43 10251 1 . ASP 44 44 10251 1 . PRO 45 45 10251 1 . ALA 46 46 10251 1 . PHE 47 47 10251 1 . LEU 48 48 10251 1 . HIS 49 49 10251 1 . TYR 50 50 10251 1 . TYR 51 51 10251 1 . ASP 52 52 10251 1 . PRO 53 53 10251 1 . SER 54 54 10251 1 . LYS 55 55 10251 1 . GLU 56 56 10251 1 . GLU 57 57 10251 1 . ASN 58 58 10251 1 . ARG 59 59 10251 1 . PRO 60 60 10251 1 . VAL 61 61 10251 1 . GLY 62 62 10251 1 . GLY 63 63 10251 1 . PHE 64 64 10251 1 . SER 65 65 10251 1 . LEU 66 66 10251 1 . ARG 67 67 10251 1 . GLY 68 68 10251 1 . SER 69 69 10251 1 . LEU 70 70 10251 1 . VAL 71 71 10251 1 . SER 72 72 10251 1 . ALA 73 73 10251 1 . LEU 74 74 10251 1 . GLU 75 75 10251 1 . ASP 76 76 10251 1 . ASN 77 77 10251 1 . GLY 78 78 10251 1 . VAL 79 79 10251 1 . PRO 80 80 10251 1 . THR 81 81 10251 1 . GLY 82 82 10251 1 . VAL 83 83 10251 1 . LYS 84 84 10251 1 . GLY 85 85 10251 1 . ASN 86 86 10251 1 . VAL 87 87 10251 1 . GLN 88 88 10251 1 . GLY 89 89 10251 1 . ASN 90 90 10251 1 . LEU 91 91 10251 1 . PHE 92 92 10251 1 . LYS 93 93 10251 1 . VAL 94 94 10251 1 . ILE 95 95 10251 1 . THR 96 96 10251 1 . LYS 97 97 10251 1 . ASP 98 98 10251 1 . ASP 99 99 10251 1 . THR 100 100 10251 1 . HIS 101 101 10251 1 . TYR 102 102 10251 1 . TYR 103 103 10251 1 . ILE 104 104 10251 1 . GLN 105 105 10251 1 . ALA 106 106 10251 1 . SER 107 107 10251 1 . SER 108 108 10251 1 . LYS 109 109 10251 1 . ALA 110 110 10251 1 . GLU 111 111 10251 1 . ARG 112 112 10251 1 . ALA 113 113 10251 1 . GLU 114 114 10251 1 . TRP 115 115 10251 1 . ILE 116 116 10251 1 . GLU 117 117 10251 1 . ALA 118 118 10251 1 . ILE 119 119 10251 1 . LYS 120 120 10251 1 . LYS 121 121 10251 1 . LEU 122 122 10251 1 . THR 123 123 10251 1 . SER 124 124 10251 1 . GLY 125 125 10251 1 . PRO 126 126 10251 1 . SER 127 127 10251 1 . SER 128 128 10251 1 . GLY 129 129 10251 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 10251 _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 . . . . . . . . . . . . . . . . . . . . . 10251 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 10251 _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 . . P040614-11 . . . . . . 10251 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10251 _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 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.24 . . mM . . . . 10251 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10251 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10251 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10251 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10251 1 6 H2O . . . . . . solvent 90 . . % . . . . 10251 1 7 D2O . . . . . . solvent 10 . . % . . . . 10251 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 10251 _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 10251 1 pH 7.0 0.05 pH 10251 1 pressure 1 0.001 atm 10251 1 temperature 296 0.1 K 10251 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10251 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10251 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10251 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10251 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10251 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10251 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10251 _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.' . . 10251 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10251 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10251 _Software.ID 4 _Software.Name Kujira _Software.Version 0.913 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10251 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10251 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10251 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10251 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10251 5 'structure solution' 10251 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 10251 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10251 _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 . 800 . . . 10251 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 10251 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10251 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10251 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 10251 _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 . . . . . . . . . 10251 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10251 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10251 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 10251 _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 10251 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10251 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.978 0.030 . 1 . . . . 7 GLY HA2 . 10251 1 2 . 1 1 7 7 GLY HA3 H 1 3.978 0.030 . 1 . . . . 7 GLY HA3 . 10251 1 3 . 1 1 7 7 GLY C C 13 174.274 0.300 . 1 . . . . 7 GLY C . 10251 1 4 . 1 1 7 7 GLY CA C 13 45.383 0.300 . 1 . . . . 7 GLY CA . 10251 1 5 . 1 1 8 8 SER H H 1 8.211 0.030 . 1 . . . . 8 SER H . 10251 1 6 . 1 1 8 8 SER HA H 1 4.425 0.030 . 1 . . . . 8 SER HA . 10251 1 7 . 1 1 8 8 SER HB2 H 1 3.845 0.030 . 1 . . . . 8 SER HB2 . 10251 1 8 . 1 1 8 8 SER HB3 H 1 3.845 0.030 . 1 . . . . 8 SER HB3 . 10251 1 9 . 1 1 8 8 SER C C 13 174.635 0.300 . 1 . . . . 8 SER C . 10251 1 10 . 1 1 8 8 SER CA C 13 58.425 0.300 . 1 . . . . 8 SER CA . 10251 1 11 . 1 1 8 8 SER CB C 13 63.885 0.300 . 1 . . . . 8 SER CB . 10251 1 12 . 1 1 8 8 SER N N 15 115.732 0.300 . 1 . . . . 8 SER N . 10251 1 13 . 1 1 9 9 LEU H H 1 8.316 0.030 . 1 . . . . 9 LEU H . 10251 1 14 . 1 1 9 9 LEU HA H 1 4.334 0.030 . 1 . . . . 9 LEU HA . 10251 1 15 . 1 1 9 9 LEU HB2 H 1 1.628 0.030 . 2 . . . . 9 LEU HB2 . 10251 1 16 . 1 1 9 9 LEU HB3 H 1 1.550 0.030 . 2 . . . . 9 LEU HB3 . 10251 1 17 . 1 1 9 9 LEU HD11 H 1 0.857 0.030 . 1 . . . . 9 LEU HD1 . 10251 1 18 . 1 1 9 9 LEU HD12 H 1 0.857 0.030 . 1 . . . . 9 LEU HD1 . 10251 1 19 . 1 1 9 9 LEU HD13 H 1 0.857 0.030 . 1 . . . . 9 LEU HD1 . 10251 1 20 . 1 1 9 9 LEU HD21 H 1 0.815 0.030 . 1 . . . . 9 LEU HD2 . 10251 1 21 . 1 1 9 9 LEU HD22 H 1 0.815 0.030 . 1 . . . . 9 LEU HD2 . 10251 1 22 . 1 1 9 9 LEU HD23 H 1 0.815 0.030 . 1 . . . . 9 LEU HD2 . 10251 1 23 . 1 1 9 9 LEU HG H 1 1.602 0.030 . 1 . . . . 9 LEU HG . 10251 1 24 . 1 1 9 9 LEU C C 13 177.447 0.300 . 1 . . . . 9 LEU C . 10251 1 25 . 1 1 9 9 LEU CA C 13 55.407 0.300 . 1 . . . . 9 LEU CA . 10251 1 26 . 1 1 9 9 LEU CB C 13 42.171 0.300 . 1 . . . . 9 LEU CB . 10251 1 27 . 1 1 9 9 LEU CD1 C 13 25.081 0.300 . 2 . . . . 9 LEU CD1 . 10251 1 28 . 1 1 9 9 LEU CD2 C 13 23.576 0.300 . 2 . . . . 9 LEU CD2 . 10251 1 29 . 1 1 9 9 LEU CG C 13 26.836 0.300 . 1 . . . . 9 LEU CG . 10251 1 30 . 1 1 9 9 LEU N N 15 123.943 0.300 . 1 . . . . 9 LEU N . 10251 1 31 . 1 1 10 10 SER H H 1 8.304 0.030 . 1 . . . . 10 SER H . 10251 1 32 . 1 1 10 10 SER HA H 1 4.424 0.030 . 1 . . . . 10 SER HA . 10251 1 33 . 1 1 10 10 SER HB2 H 1 3.818 0.030 . 2 . . . . 10 SER HB2 . 10251 1 34 . 1 1 10 10 SER HB3 H 1 3.876 0.030 . 2 . . . . 10 SER HB3 . 10251 1 35 . 1 1 10 10 SER C C 13 175.025 0.300 . 1 . . . . 10 SER C . 10251 1 36 . 1 1 10 10 SER CA C 13 58.425 0.300 . 1 . . . . 10 SER CA . 10251 1 37 . 1 1 10 10 SER CB C 13 63.638 0.300 . 1 . . . . 10 SER CB . 10251 1 38 . 1 1 10 10 SER N N 15 116.718 0.300 . 1 . . . . 10 SER N . 10251 1 39 . 1 1 11 11 THR H H 1 8.003 0.030 . 1 . . . . 11 THR H . 10251 1 40 . 1 1 11 11 THR HA H 1 4.196 0.030 . 1 . . . . 11 THR HA . 10251 1 41 . 1 1 11 11 THR HB H 1 4.233 0.030 . 1 . . . . 11 THR HB . 10251 1 42 . 1 1 11 11 THR HG21 H 1 1.155 0.030 . 1 . . . . 11 THR HG2 . 10251 1 43 . 1 1 11 11 THR HG22 H 1 1.155 0.030 . 1 . . . . 11 THR HG2 . 10251 1 44 . 1 1 11 11 THR HG23 H 1 1.155 0.030 . 1 . . . . 11 THR HG2 . 10251 1 45 . 1 1 11 11 THR C C 13 176.296 0.300 . 1 . . . . 11 THR C . 10251 1 46 . 1 1 11 11 THR CA C 13 62.483 0.300 . 1 . . . . 11 THR CA . 10251 1 47 . 1 1 11 11 THR CB C 13 69.266 0.300 . 1 . . . . 11 THR CB . 10251 1 48 . 1 1 11 11 THR CG2 C 13 21.732 0.300 . 1 . . . . 11 THR CG2 . 10251 1 49 . 1 1 11 11 THR N N 15 114.902 0.300 . 1 . . . . 11 THR N . 10251 1 50 . 1 1 12 12 VAL H H 1 8.095 0.030 . 1 . . . . 12 VAL H . 10251 1 51 . 1 1 12 12 VAL HA H 1 3.826 0.030 . 1 . . . . 12 VAL HA . 10251 1 52 . 1 1 12 12 VAL HB H 1 2.052 0.030 . 1 . . . . 12 VAL HB . 10251 1 53 . 1 1 12 12 VAL HG11 H 1 0.897 0.030 . 1 . . . . 12 VAL HG1 . 10251 1 54 . 1 1 12 12 VAL HG12 H 1 0.897 0.030 . 1 . . . . 12 VAL HG1 . 10251 1 55 . 1 1 12 12 VAL HG13 H 1 0.897 0.030 . 1 . . . . 12 VAL HG1 . 10251 1 56 . 1 1 12 12 VAL HG21 H 1 0.964 0.030 . 1 . . . . 12 VAL HG2 . 10251 1 57 . 1 1 12 12 VAL HG22 H 1 0.964 0.030 . 1 . . . . 12 VAL HG2 . 10251 1 58 . 1 1 12 12 VAL HG23 H 1 0.964 0.030 . 1 . . . . 12 VAL HG2 . 10251 1 59 . 1 1 12 12 VAL C C 13 178.501 0.300 . 1 . . . . 12 VAL C . 10251 1 60 . 1 1 12 12 VAL CA C 13 64.760 0.300 . 1 . . . . 12 VAL CA . 10251 1 61 . 1 1 12 12 VAL CB C 13 32.013 0.300 . 1 . . . . 12 VAL CB . 10251 1 62 . 1 1 12 12 VAL CG1 C 13 20.816 0.300 . 2 . . . . 12 VAL CG1 . 10251 1 63 . 1 1 12 12 VAL CG2 C 13 21.319 0.300 . 2 . . . . 12 VAL CG2 . 10251 1 64 . 1 1 12 12 VAL N N 15 122.111 0.300 . 1 . . . . 12 VAL N . 10251 1 65 . 1 1 13 13 GLU H H 1 8.151 0.030 . 1 . . . . 13 GLU H . 10251 1 66 . 1 1 13 13 GLU HA H 1 3.244 0.030 . 1 . . . . 13 GLU HA . 10251 1 67 . 1 1 13 13 GLU HB2 H 1 1.116 0.030 . 2 . . . . 13 GLU HB2 . 10251 1 68 . 1 1 13 13 GLU HB3 H 1 1.176 0.030 . 2 . . . . 13 GLU HB3 . 10251 1 69 . 1 1 13 13 GLU HG2 H 1 1.990 0.030 . 2 . . . . 13 GLU HG2 . 10251 1 70 . 1 1 13 13 GLU HG3 H 1 1.836 0.030 . 2 . . . . 13 GLU HG3 . 10251 1 71 . 1 1 13 13 GLU C C 13 175.702 0.300 . 1 . . . . 13 GLU C . 10251 1 72 . 1 1 13 13 GLU CA C 13 58.354 0.300 . 1 . . . . 13 GLU CA . 10251 1 73 . 1 1 13 13 GLU CB C 13 28.843 0.300 . 1 . . . . 13 GLU CB . 10251 1 74 . 1 1 13 13 GLU CG C 13 36.372 0.300 . 1 . . . . 13 GLU CG . 10251 1 75 . 1 1 13 13 GLU N N 15 120.316 0.300 . 1 . . . . 13 GLU N . 10251 1 76 . 1 1 14 14 LEU H H 1 7.067 0.030 . 1 . . . . 14 LEU H . 10251 1 77 . 1 1 14 14 LEU HA H 1 4.157 0.030 . 1 . . . . 14 LEU HA . 10251 1 78 . 1 1 14 14 LEU HB2 H 1 1.461 0.030 . 2 . . . . 14 LEU HB2 . 10251 1 79 . 1 1 14 14 LEU HB3 H 1 1.315 0.030 . 2 . . . . 14 LEU HB3 . 10251 1 80 . 1 1 14 14 LEU HD11 H 1 0.534 0.030 . 1 . . . . 14 LEU HD1 . 10251 1 81 . 1 1 14 14 LEU HD12 H 1 0.534 0.030 . 1 . . . . 14 LEU HD1 . 10251 1 82 . 1 1 14 14 LEU HD13 H 1 0.534 0.030 . 1 . . . . 14 LEU HD1 . 10251 1 83 . 1 1 14 14 LEU HD21 H 1 -0.023 0.030 . 1 . . . . 14 LEU HD2 . 10251 1 84 . 1 1 14 14 LEU HD22 H 1 -0.023 0.030 . 1 . . . . 14 LEU HD2 . 10251 1 85 . 1 1 14 14 LEU HD23 H 1 -0.023 0.030 . 1 . . . . 14 LEU HD2 . 10251 1 86 . 1 1 14 14 LEU HG H 1 0.983 0.030 . 1 . . . . 14 LEU HG . 10251 1 87 . 1 1 14 14 LEU C C 13 176.863 0.300 . 1 . . . . 14 LEU C . 10251 1 88 . 1 1 14 14 LEU CA C 13 53.324 0.300 . 1 . . . . 14 LEU CA . 10251 1 89 . 1 1 14 14 LEU CB C 13 41.636 0.300 . 1 . . . . 14 LEU CB . 10251 1 90 . 1 1 14 14 LEU CD1 C 13 25.081 0.300 . 2 . . . . 14 LEU CD1 . 10251 1 91 . 1 1 14 14 LEU CD2 C 13 21.319 0.300 . 2 . . . . 14 LEU CD2 . 10251 1 92 . 1 1 14 14 LEU CG C 13 26.584 0.300 . 1 . . . . 14 LEU CG . 10251 1 93 . 1 1 14 14 LEU N N 15 117.035 0.300 . 1 . . . . 14 LEU N . 10251 1 94 . 1 1 15 15 SER H H 1 7.645 0.030 . 1 . . . . 15 SER H . 10251 1 95 . 1 1 15 15 SER HA H 1 4.305 0.030 . 1 . . . . 15 SER HA . 10251 1 96 . 1 1 15 15 SER HB2 H 1 3.974 0.030 . 2 . . . . 15 SER HB2 . 10251 1 97 . 1 1 15 15 SER HB3 H 1 3.916 0.030 . 2 . . . . 15 SER HB3 . 10251 1 98 . 1 1 15 15 SER C C 13 175.340 0.300 . 1 . . . . 15 SER C . 10251 1 99 . 1 1 15 15 SER CA C 13 59.783 0.300 . 1 . . . . 15 SER CA . 10251 1 100 . 1 1 15 15 SER CB C 13 64.625 0.300 . 1 . . . . 15 SER CB . 10251 1 101 . 1 1 15 15 SER N N 15 114.216 0.300 . 1 . . . . 15 SER N . 10251 1 102 . 1 1 16 16 GLY H H 1 8.506 0.030 . 1 . . . . 16 GLY H . 10251 1 103 . 1 1 16 16 GLY HA2 H 1 4.237 0.030 . 2 . . . . 16 GLY HA2 . 10251 1 104 . 1 1 16 16 GLY HA3 H 1 3.927 0.030 . 2 . . . . 16 GLY HA3 . 10251 1 105 . 1 1 16 16 GLY C C 13 173.661 0.300 . 1 . . . . 16 GLY C . 10251 1 106 . 1 1 16 16 GLY CA C 13 44.995 0.300 . 1 . . . . 16 GLY CA . 10251 1 107 . 1 1 16 16 GLY N N 15 111.838 0.300 . 1 . . . . 16 GLY N . 10251 1 108 . 1 1 17 17 THR H H 1 8.482 0.030 . 1 . . . . 17 THR H . 10251 1 109 . 1 1 17 17 THR HA H 1 4.319 0.030 . 1 . . . . 17 THR HA . 10251 1 110 . 1 1 17 17 THR HB H 1 3.854 0.030 . 1 . . . . 17 THR HB . 10251 1 111 . 1 1 17 17 THR HG21 H 1 1.195 0.030 . 1 . . . . 17 THR HG2 . 10251 1 112 . 1 1 17 17 THR HG22 H 1 1.195 0.030 . 1 . . . . 17 THR HG2 . 10251 1 113 . 1 1 17 17 THR HG23 H 1 1.195 0.030 . 1 . . . . 17 THR HG2 . 10251 1 114 . 1 1 17 17 THR C C 13 174.758 0.300 . 1 . . . . 17 THR C . 10251 1 115 . 1 1 17 17 THR CA C 13 62.272 0.300 . 1 . . . . 17 THR CA . 10251 1 116 . 1 1 17 17 THR CB C 13 70.706 0.300 . 1 . . . . 17 THR CB . 10251 1 117 . 1 1 17 17 THR CG2 C 13 21.320 0.300 . 1 . . . . 17 THR CG2 . 10251 1 118 . 1 1 17 17 THR N N 15 116.679 0.300 . 1 . . . . 17 THR N . 10251 1 119 . 1 1 18 18 VAL H H 1 8.948 0.030 . 1 . . . . 18 VAL H . 10251 1 120 . 1 1 18 18 VAL HA H 1 3.950 0.030 . 1 . . . . 18 VAL HA . 10251 1 121 . 1 1 18 18 VAL HB H 1 1.971 0.030 . 1 . . . . 18 VAL HB . 10251 1 122 . 1 1 18 18 VAL HG11 H 1 0.834 0.030 . 1 . . . . 18 VAL HG1 . 10251 1 123 . 1 1 18 18 VAL HG12 H 1 0.834 0.030 . 1 . . . . 18 VAL HG1 . 10251 1 124 . 1 1 18 18 VAL HG13 H 1 0.834 0.030 . 1 . . . . 18 VAL HG1 . 10251 1 125 . 1 1 18 18 VAL HG21 H 1 0.940 0.030 . 1 . . . . 18 VAL HG2 . 10251 1 126 . 1 1 18 18 VAL HG22 H 1 0.940 0.030 . 1 . . . . 18 VAL HG2 . 10251 1 127 . 1 1 18 18 VAL HG23 H 1 0.940 0.030 . 1 . . . . 18 VAL HG2 . 10251 1 128 . 1 1 18 18 VAL C C 13 176.669 0.300 . 1 . . . . 18 VAL C . 10251 1 129 . 1 1 18 18 VAL CA C 13 64.813 0.300 . 1 . . . . 18 VAL CA . 10251 1 130 . 1 1 18 18 VAL CB C 13 31.807 0.300 . 1 . . . . 18 VAL CB . 10251 1 131 . 1 1 18 18 VAL CG1 C 13 21.319 0.300 . 2 . . . . 18 VAL CG1 . 10251 1 132 . 1 1 18 18 VAL CG2 C 13 22.071 0.300 . 2 . . . . 18 VAL CG2 . 10251 1 133 . 1 1 18 18 VAL N N 15 127.156 0.300 . 1 . . . . 18 VAL N . 10251 1 134 . 1 1 19 19 VAL H H 1 9.359 0.030 . 1 . . . . 19 VAL H . 10251 1 135 . 1 1 19 19 VAL HA H 1 4.234 0.030 . 1 . . . . 19 VAL HA . 10251 1 136 . 1 1 19 19 VAL HB H 1 1.849 0.030 . 1 . . . . 19 VAL HB . 10251 1 137 . 1 1 19 19 VAL HG11 H 1 0.890 0.030 . 1 . . . . 19 VAL HG1 . 10251 1 138 . 1 1 19 19 VAL HG12 H 1 0.890 0.030 . 1 . . . . 19 VAL HG1 . 10251 1 139 . 1 1 19 19 VAL HG13 H 1 0.890 0.030 . 1 . . . . 19 VAL HG1 . 10251 1 140 . 1 1 19 19 VAL HG21 H 1 0.838 0.030 . 1 . . . . 19 VAL HG2 . 10251 1 141 . 1 1 19 19 VAL HG22 H 1 0.838 0.030 . 1 . . . . 19 VAL HG2 . 10251 1 142 . 1 1 19 19 VAL HG23 H 1 0.838 0.030 . 1 . . . . 19 VAL HG2 . 10251 1 143 . 1 1 19 19 VAL C C 13 175.738 0.300 . 1 . . . . 19 VAL C . 10251 1 144 . 1 1 19 19 VAL CA C 13 62.060 0.300 . 1 . . . . 19 VAL CA . 10251 1 145 . 1 1 19 19 VAL CB C 13 33.822 0.300 . 1 . . . . 19 VAL CB . 10251 1 146 . 1 1 19 19 VAL CG1 C 13 21.403 0.300 . 2 . . . . 19 VAL CG1 . 10251 1 147 . 1 1 19 19 VAL CG2 C 13 20.566 0.300 . 2 . . . . 19 VAL CG2 . 10251 1 148 . 1 1 19 19 VAL N N 15 125.162 0.300 . 1 . . . . 19 VAL N . 10251 1 149 . 1 1 20 20 LYS H H 1 7.584 0.030 . 1 . . . . 20 LYS H . 10251 1 150 . 1 1 20 20 LYS HA H 1 4.346 0.030 . 1 . . . . 20 LYS HA . 10251 1 151 . 1 1 20 20 LYS HB2 H 1 1.355 0.030 . 2 . . . . 20 LYS HB2 . 10251 1 152 . 1 1 20 20 LYS HB3 H 1 1.024 0.030 . 2 . . . . 20 LYS HB3 . 10251 1 153 . 1 1 20 20 LYS HD2 H 1 -0.384 0.030 . 2 . . . . 20 LYS HD2 . 10251 1 154 . 1 1 20 20 LYS HD3 H 1 0.694 0.030 . 2 . . . . 20 LYS HD3 . 10251 1 155 . 1 1 20 20 LYS HE2 H 1 1.605 0.030 . 2 . . . . 20 LYS HE2 . 10251 1 156 . 1 1 20 20 LYS HE3 H 1 1.355 0.030 . 2 . . . . 20 LYS HE3 . 10251 1 157 . 1 1 20 20 LYS HG2 H 1 1.105 0.030 . 2 . . . . 20 LYS HG2 . 10251 1 158 . 1 1 20 20 LYS HG3 H 1 0.359 0.030 . 2 . . . . 20 LYS HG3 . 10251 1 159 . 1 1 20 20 LYS C C 13 172.818 0.300 . 1 . . . . 20 LYS C . 10251 1 160 . 1 1 20 20 LYS CA C 13 56.801 0.300 . 1 . . . . 20 LYS CA . 10251 1 161 . 1 1 20 20 LYS CB C 13 36.624 0.300 . 1 . . . . 20 LYS CB . 10251 1 162 . 1 1 20 20 LYS CD C 13 28.592 0.300 . 1 . . . . 20 LYS CD . 10251 1 163 . 1 1 20 20 LYS CE C 13 40.091 0.300 . 1 . . . . 20 LYS CE . 10251 1 164 . 1 1 20 20 LYS CG C 13 25.022 0.300 . 1 . . . . 20 LYS CG . 10251 1 165 . 1 1 20 20 LYS N N 15 121.024 0.300 . 1 . . . . 20 LYS N . 10251 1 166 . 1 1 21 21 GLN H H 1 8.625 0.030 . 1 . . . . 21 GLN H . 10251 1 167 . 1 1 21 21 GLN HA H 1 6.003 0.030 . 1 . . . . 21 GLN HA . 10251 1 168 . 1 1 21 21 GLN HB2 H 1 2.115 0.030 . 1 . . . . 21 GLN HB2 . 10251 1 169 . 1 1 21 21 GLN HB3 H 1 2.115 0.030 . 1 . . . . 21 GLN HB3 . 10251 1 170 . 1 1 21 21 GLN HE21 H 1 7.503 0.030 . 2 . . . . 21 GLN HE21 . 10251 1 171 . 1 1 21 21 GLN HE22 H 1 6.773 0.030 . 2 . . . . 21 GLN HE22 . 10251 1 172 . 1 1 21 21 GLN HG2 H 1 2.276 0.030 . 2 . . . . 21 GLN HG2 . 10251 1 173 . 1 1 21 21 GLN HG3 H 1 2.211 0.030 . 2 . . . . 21 GLN HG3 . 10251 1 174 . 1 1 21 21 GLN C C 13 174.914 0.300 . 1 . . . . 21 GLN C . 10251 1 175 . 1 1 21 21 GLN CA C 13 54.207 0.300 . 1 . . . . 21 GLN CA . 10251 1 176 . 1 1 21 21 GLN CB C 13 33.452 0.300 . 1 . . . . 21 GLN CB . 10251 1 177 . 1 1 21 21 GLN CG C 13 33.411 0.300 . 1 . . . . 21 GLN CG . 10251 1 178 . 1 1 21 21 GLN N N 15 122.108 0.300 . 1 . . . . 21 GLN N . 10251 1 179 . 1 1 21 21 GLN NE2 N 15 111.803 0.300 . 1 . . . . 21 GLN NE2 . 10251 1 180 . 1 1 22 22 GLY H H 1 8.964 0.030 . 1 . . . . 22 GLY H . 10251 1 181 . 1 1 22 22 GLY HA2 H 1 4.665 0.030 . 2 . . . . 22 GLY HA2 . 10251 1 182 . 1 1 22 22 GLY HA3 H 1 4.295 0.030 . 2 . . . . 22 GLY HA3 . 10251 1 183 . 1 1 22 22 GLY C C 13 170.879 0.300 . 1 . . . . 22 GLY C . 10251 1 184 . 1 1 22 22 GLY CA C 13 45.683 0.300 . 1 . . . . 22 GLY CA . 10251 1 185 . 1 1 22 22 GLY N N 15 108.508 0.300 . 1 . . . . 22 GLY N . 10251 1 186 . 1 1 23 23 TYR H H 1 9.145 0.030 . 1 . . . . 23 TYR H . 10251 1 187 . 1 1 23 23 TYR HA H 1 5.595 0.030 . 1 . . . . 23 TYR HA . 10251 1 188 . 1 1 23 23 TYR HB2 H 1 2.992 0.030 . 2 . . . . 23 TYR HB2 . 10251 1 189 . 1 1 23 23 TYR HB3 H 1 2.785 0.030 . 2 . . . . 23 TYR HB3 . 10251 1 190 . 1 1 23 23 TYR HD1 H 1 7.095 0.030 . 1 . . . . 23 TYR HD1 . 10251 1 191 . 1 1 23 23 TYR HD2 H 1 7.095 0.030 . 1 . . . . 23 TYR HD2 . 10251 1 192 . 1 1 23 23 TYR HE1 H 1 6.825 0.030 . 1 . . . . 23 TYR HE1 . 10251 1 193 . 1 1 23 23 TYR HE2 H 1 6.825 0.030 . 1 . . . . 23 TYR HE2 . 10251 1 194 . 1 1 23 23 TYR C C 13 175.824 0.300 . 1 . . . . 23 TYR C . 10251 1 195 . 1 1 23 23 TYR CA C 13 58.019 0.300 . 1 . . . . 23 TYR CA . 10251 1 196 . 1 1 23 23 TYR CB C 13 39.251 0.300 . 1 . . . . 23 TYR CB . 10251 1 197 . 1 1 23 23 TYR CD1 C 13 132.837 0.300 . 1 . . . . 23 TYR CD1 . 10251 1 198 . 1 1 23 23 TYR CD2 C 13 132.837 0.300 . 1 . . . . 23 TYR CD2 . 10251 1 199 . 1 1 23 23 TYR CE1 C 13 118.107 0.300 . 1 . . . . 23 TYR CE1 . 10251 1 200 . 1 1 23 23 TYR CE2 C 13 118.107 0.300 . 1 . . . . 23 TYR CE2 . 10251 1 201 . 1 1 23 23 TYR N N 15 120.809 0.300 . 1 . . . . 23 TYR N . 10251 1 202 . 1 1 24 24 LEU H H 1 8.935 0.030 . 1 . . . . 24 LEU H . 10251 1 203 . 1 1 24 24 LEU HA H 1 4.716 0.030 . 1 . . . . 24 LEU HA . 10251 1 204 . 1 1 24 24 LEU HB2 H 1 0.949 0.030 . 1 . . . . 24 LEU HB2 . 10251 1 205 . 1 1 24 24 LEU HB3 H 1 0.949 0.030 . 1 . . . . 24 LEU HB3 . 10251 1 206 . 1 1 24 24 LEU HD11 H 1 -1.064 0.030 . 1 . . . . 24 LEU HD1 . 10251 1 207 . 1 1 24 24 LEU HD12 H 1 -1.064 0.030 . 1 . . . . 24 LEU HD1 . 10251 1 208 . 1 1 24 24 LEU HD13 H 1 -1.064 0.030 . 1 . . . . 24 LEU HD1 . 10251 1 209 . 1 1 24 24 LEU HD21 H 1 0.585 0.030 . 1 . . . . 24 LEU HD2 . 10251 1 210 . 1 1 24 24 LEU HD22 H 1 0.585 0.030 . 1 . . . . 24 LEU HD2 . 10251 1 211 . 1 1 24 24 LEU HD23 H 1 0.585 0.030 . 1 . . . . 24 LEU HD2 . 10251 1 212 . 1 1 24 24 LEU HG H 1 0.938 0.030 . 1 . . . . 24 LEU HG . 10251 1 213 . 1 1 24 24 LEU C C 13 174.648 0.300 . 1 . . . . 24 LEU C . 10251 1 214 . 1 1 24 24 LEU CA C 13 53.907 0.300 . 1 . . . . 24 LEU CA . 10251 1 215 . 1 1 24 24 LEU CB C 13 46.078 0.300 . 1 . . . . 24 LEU CB . 10251 1 216 . 1 1 24 24 LEU CD1 C 13 22.656 0.300 . 2 . . . . 24 LEU CD1 . 10251 1 217 . 1 1 24 24 LEU CD2 C 13 24.052 0.300 . 2 . . . . 24 LEU CD2 . 10251 1 218 . 1 1 24 24 LEU CG C 13 26.336 0.300 . 1 . . . . 24 LEU CG . 10251 1 219 . 1 1 24 24 LEU N N 15 122.887 0.300 . 1 . . . . 24 LEU N . 10251 1 220 . 1 1 25 25 ALA H H 1 8.145 0.030 . 1 . . . . 25 ALA H . 10251 1 221 . 1 1 25 25 ALA HA H 1 5.477 0.030 . 1 . . . . 25 ALA HA . 10251 1 222 . 1 1 25 25 ALA HB1 H 1 1.518 0.030 . 1 . . . . 25 ALA HB . 10251 1 223 . 1 1 25 25 ALA HB2 H 1 1.518 0.030 . 1 . . . . 25 ALA HB . 10251 1 224 . 1 1 25 25 ALA HB3 H 1 1.518 0.030 . 1 . . . . 25 ALA HB . 10251 1 225 . 1 1 25 25 ALA C C 13 175.751 0.300 . 1 . . . . 25 ALA C . 10251 1 226 . 1 1 25 25 ALA CA C 13 50.719 0.300 . 1 . . . . 25 ALA CA . 10251 1 227 . 1 1 25 25 ALA CB C 13 21.074 0.300 . 1 . . . . 25 ALA CB . 10251 1 228 . 1 1 25 25 ALA N N 15 122.280 0.300 . 1 . . . . 25 ALA N . 10251 1 229 . 1 1 26 26 LYS H H 1 9.167 0.030 . 1 . . . . 26 LYS H . 10251 1 230 . 1 1 26 26 LYS HA H 1 5.221 0.030 . 1 . . . . 26 LYS HA . 10251 1 231 . 1 1 26 26 LYS HB2 H 1 1.695 0.030 . 2 . . . . 26 LYS HB2 . 10251 1 232 . 1 1 26 26 LYS HB3 H 1 1.593 0.030 . 2 . . . . 26 LYS HB3 . 10251 1 233 . 1 1 26 26 LYS HD2 H 1 0.945 0.030 . 2 . . . . 26 LYS HD2 . 10251 1 234 . 1 1 26 26 LYS HD3 H 1 1.112 0.030 . 2 . . . . 26 LYS HD3 . 10251 1 235 . 1 1 26 26 LYS HE2 H 1 2.625 0.030 . 2 . . . . 26 LYS HE2 . 10251 1 236 . 1 1 26 26 LYS HE3 H 1 2.554 0.030 . 2 . . . . 26 LYS HE3 . 10251 1 237 . 1 1 26 26 LYS HG2 H 1 1.412 0.030 . 2 . . . . 26 LYS HG2 . 10251 1 238 . 1 1 26 26 LYS HG3 H 1 1.234 0.030 . 2 . . . . 26 LYS HG3 . 10251 1 239 . 1 1 26 26 LYS C C 13 175.421 0.300 . 1 . . . . 26 LYS C . 10251 1 240 . 1 1 26 26 LYS CA C 13 54.383 0.300 . 1 . . . . 26 LYS CA . 10251 1 241 . 1 1 26 26 LYS CB C 13 36.125 0.300 . 1 . . . . 26 LYS CB . 10251 1 242 . 1 1 26 26 LYS CD C 13 28.805 0.300 . 1 . . . . 26 LYS CD . 10251 1 243 . 1 1 26 26 LYS CE C 13 41.060 0.300 . 1 . . . . 26 LYS CE . 10251 1 244 . 1 1 26 26 LYS CG C 13 23.212 0.300 . 1 . . . . 26 LYS CG . 10251 1 245 . 1 1 26 26 LYS N N 15 120.638 0.300 . 1 . . . . 26 LYS N . 10251 1 246 . 1 1 27 27 GLN H H 1 7.866 0.030 . 1 . . . . 27 GLN H . 10251 1 247 . 1 1 27 27 GLN HA H 1 3.525 0.030 . 1 . . . . 27 GLN HA . 10251 1 248 . 1 1 27 27 GLN HB2 H 1 1.489 0.030 . 2 . . . . 27 GLN HB2 . 10251 1 249 . 1 1 27 27 GLN HB3 H 1 0.198 0.030 . 2 . . . . 27 GLN HB3 . 10251 1 250 . 1 1 27 27 GLN HE21 H 1 6.409 0.030 . 2 . . . . 27 GLN HE21 . 10251 1 251 . 1 1 27 27 GLN HE22 H 1 6.769 0.030 . 2 . . . . 27 GLN HE22 . 10251 1 252 . 1 1 27 27 GLN HG2 H 1 1.815 0.030 . 2 . . . . 27 GLN HG2 . 10251 1 253 . 1 1 27 27 GLN HG3 H 1 0.735 0.030 . 2 . . . . 27 GLN HG3 . 10251 1 254 . 1 1 27 27 GLN C C 13 177.022 0.300 . 1 . . . . 27 GLN C . 10251 1 255 . 1 1 27 27 GLN CA C 13 55.778 0.300 . 1 . . . . 27 GLN CA . 10251 1 256 . 1 1 27 27 GLN CB C 13 29.864 0.300 . 1 . . . . 27 GLN CB . 10251 1 257 . 1 1 27 27 GLN CG C 13 34.376 0.300 . 1 . . . . 27 GLN CG . 10251 1 258 . 1 1 27 27 GLN N N 15 130.194 0.300 . 1 . . . . 27 GLN N . 10251 1 259 . 1 1 27 27 GLN NE2 N 15 109.913 0.300 . 1 . . . . 27 GLN NE2 . 10251 1 260 . 1 1 28 28 GLY H H 1 8.565 0.030 . 1 . . . . 28 GLY H . 10251 1 261 . 1 1 28 28 GLY HA2 H 1 4.125 0.030 . 2 . . . . 28 GLY HA2 . 10251 1 262 . 1 1 28 28 GLY HA3 H 1 4.034 0.030 . 2 . . . . 28 GLY HA3 . 10251 1 263 . 1 1 28 28 GLY C C 13 174.030 0.300 . 1 . . . . 28 GLY C . 10251 1 264 . 1 1 28 28 GLY CA C 13 45.665 0.300 . 1 . . . . 28 GLY CA . 10251 1 265 . 1 1 28 28 GLY N N 15 115.528 0.300 . 1 . . . . 28 GLY N . 10251 1 266 . 1 1 29 29 HIS HA H 1 4.355 0.030 . 1 . . . . 29 HIS HA . 10251 1 267 . 1 1 29 29 HIS HB2 H 1 3.084 0.030 . 1 . . . . 29 HIS HB2 . 10251 1 268 . 1 1 29 29 HIS HB3 H 1 3.084 0.030 . 1 . . . . 29 HIS HB3 . 10251 1 269 . 1 1 29 29 HIS HD2 H 1 6.994 0.030 . 1 . . . . 29 HIS HD2 . 10251 1 270 . 1 1 29 29 HIS HE1 H 1 7.485 0.030 . 1 . . . . 29 HIS HE1 . 10251 1 271 . 1 1 29 29 HIS CA C 13 58.795 0.300 . 1 . . . . 29 HIS CA . 10251 1 272 . 1 1 29 29 HIS CB C 13 31.283 0.300 . 1 . . . . 29 HIS CB . 10251 1 273 . 1 1 29 29 HIS CD2 C 13 119.328 0.300 . 1 . . . . 29 HIS CD2 . 10251 1 274 . 1 1 29 29 HIS CE1 C 13 138.728 0.300 . 1 . . . . 29 HIS CE1 . 10251 1 275 . 1 1 30 30 LYS HA H 1 4.096 0.030 . 1 . . . . 30 LYS HA . 10251 1 276 . 1 1 30 30 LYS HB2 H 1 1.814 0.030 . 2 . . . . 30 LYS HB2 . 10251 1 277 . 1 1 30 30 LYS HB3 H 1 1.762 0.030 . 2 . . . . 30 LYS HB3 . 10251 1 278 . 1 1 30 30 LYS HD2 H 1 1.615 0.030 . 1 . . . . 30 LYS HD2 . 10251 1 279 . 1 1 30 30 LYS HD3 H 1 1.615 0.030 . 1 . . . . 30 LYS HD3 . 10251 1 280 . 1 1 30 30 LYS HE2 H 1 2.946 0.030 . 1 . . . . 30 LYS HE2 . 10251 1 281 . 1 1 30 30 LYS HE3 H 1 2.946 0.030 . 1 . . . . 30 LYS HE3 . 10251 1 282 . 1 1 30 30 LYS HG2 H 1 1.206 0.030 . 1 . . . . 30 LYS HG2 . 10251 1 283 . 1 1 30 30 LYS HG3 H 1 1.206 0.030 . 1 . . . . 30 LYS HG3 . 10251 1 284 . 1 1 30 30 LYS CA C 13 57.290 0.300 . 1 . . . . 30 LYS CA . 10251 1 285 . 1 1 30 30 LYS CB C 13 31.951 0.300 . 1 . . . . 30 LYS CB . 10251 1 286 . 1 1 30 30 LYS CD C 13 28.920 0.300 . 1 . . . . 30 LYS CD . 10251 1 287 . 1 1 30 30 LYS CE C 13 42.182 0.300 . 1 . . . . 30 LYS CE . 10251 1 288 . 1 1 30 30 LYS CG C 13 25.009 0.300 . 1 . . . . 30 LYS CG . 10251 1 289 . 1 1 31 31 ARG HA H 1 3.975 0.030 . 1 . . . . 31 ARG HA . 10251 1 290 . 1 1 31 31 ARG HB2 H 1 1.778 0.030 . 1 . . . . 31 ARG HB2 . 10251 1 291 . 1 1 31 31 ARG HB3 H 1 1.778 0.030 . 1 . . . . 31 ARG HB3 . 10251 1 292 . 1 1 31 31 ARG HD2 H 1 3.085 0.030 . 1 . . . . 31 ARG HD2 . 10251 1 293 . 1 1 31 31 ARG HD3 H 1 3.085 0.030 . 1 . . . . 31 ARG HD3 . 10251 1 294 . 1 1 31 31 ARG HG2 H 1 1.425 0.030 . 2 . . . . 31 ARG HG2 . 10251 1 295 . 1 1 31 31 ARG HG3 H 1 1.526 0.030 . 2 . . . . 31 ARG HG3 . 10251 1 296 . 1 1 31 31 ARG CA C 13 55.973 0.300 . 1 . . . . 31 ARG CA . 10251 1 297 . 1 1 31 31 ARG CB C 13 29.902 0.300 . 1 . . . . 31 ARG CB . 10251 1 298 . 1 1 31 31 ARG CD C 13 43.283 0.300 . 1 . . . . 31 ARG CD . 10251 1 299 . 1 1 31 31 ARG CG C 13 27.246 0.300 . 1 . . . . 31 ARG CG . 10251 1 300 . 1 1 32 32 LYS HA H 1 4.160 0.030 . 1 . . . . 32 LYS HA . 10251 1 301 . 1 1 32 32 LYS HB2 H 1 1.725 0.030 . 1 . . . . 32 LYS HB2 . 10251 1 302 . 1 1 32 32 LYS HB3 H 1 1.725 0.030 . 1 . . . . 32 LYS HB3 . 10251 1 303 . 1 1 32 32 LYS HD2 H 1 1.493 0.030 . 2 . . . . 32 LYS HD2 . 10251 1 304 . 1 1 32 32 LYS HD3 H 1 1.536 0.030 . 2 . . . . 32 LYS HD3 . 10251 1 305 . 1 1 32 32 LYS HE2 H 1 2.904 0.030 . 1 . . . . 32 LYS HE2 . 10251 1 306 . 1 1 32 32 LYS HE3 H 1 2.904 0.030 . 1 . . . . 32 LYS HE3 . 10251 1 307 . 1 1 32 32 LYS HG2 H 1 1.197 0.030 . 2 . . . . 32 LYS HG2 . 10251 1 308 . 1 1 32 32 LYS HG3 H 1 1.286 0.030 . 2 . . . . 32 LYS HG3 . 10251 1 309 . 1 1 32 32 LYS C C 13 175.678 0.300 . 1 . . . . 32 LYS C . 10251 1 310 . 1 1 32 32 LYS CA C 13 56.254 0.300 . 1 . . . . 32 LYS CA . 10251 1 311 . 1 1 32 32 LYS CB C 13 31.602 0.300 . 1 . . . . 32 LYS CB . 10251 1 312 . 1 1 32 32 LYS CD C 13 28.805 0.300 . 1 . . . . 32 LYS CD . 10251 1 313 . 1 1 32 32 LYS CE C 13 42.212 0.300 . 1 . . . . 32 LYS CE . 10251 1 314 . 1 1 32 32 LYS CG C 13 24.830 0.300 . 1 . . . . 32 LYS CG . 10251 1 315 . 1 1 33 33 ASN H H 1 7.925 0.030 . 1 . . . . 33 ASN H . 10251 1 316 . 1 1 33 33 ASN HA H 1 4.799 0.030 . 1 . . . . 33 ASN HA . 10251 1 317 . 1 1 33 33 ASN HB2 H 1 2.815 0.030 . 1 . . . . 33 ASN HB2 . 10251 1 318 . 1 1 33 33 ASN HB3 H 1 2.815 0.030 . 1 . . . . 33 ASN HB3 . 10251 1 319 . 1 1 33 33 ASN HD21 H 1 7.625 0.030 . 2 . . . . 33 ASN HD21 . 10251 1 320 . 1 1 33 33 ASN HD22 H 1 6.961 0.030 . 2 . . . . 33 ASN HD22 . 10251 1 321 . 1 1 33 33 ASN C C 13 174.005 0.300 . 1 . . . . 33 ASN C . 10251 1 322 . 1 1 33 33 ASN CA C 13 52.407 0.300 . 1 . . . . 33 ASN CA . 10251 1 323 . 1 1 33 33 ASN CB C 13 39.879 0.300 . 1 . . . . 33 ASN CB . 10251 1 324 . 1 1 33 33 ASN N N 15 116.990 0.300 . 1 . . . . 33 ASN N . 10251 1 325 . 1 1 33 33 ASN ND2 N 15 113.056 0.300 . 1 . . . . 33 ASN ND2 . 10251 1 326 . 1 1 34 34 TRP H H 1 8.798 0.030 . 1 . . . . 34 TRP H . 10251 1 327 . 1 1 34 34 TRP HA H 1 4.755 0.030 . 1 . . . . 34 TRP HA . 10251 1 328 . 1 1 34 34 TRP HB2 H 1 2.854 0.030 . 2 . . . . 34 TRP HB2 . 10251 1 329 . 1 1 34 34 TRP HB3 H 1 2.960 0.030 . 2 . . . . 34 TRP HB3 . 10251 1 330 . 1 1 34 34 TRP HD1 H 1 7.258 0.030 . 1 . . . . 34 TRP HD1 . 10251 1 331 . 1 1 34 34 TRP HE1 H 1 10.084 0.030 . 1 . . . . 34 TRP HE1 . 10251 1 332 . 1 1 34 34 TRP HE3 H 1 6.993 0.030 . 1 . . . . 34 TRP HE3 . 10251 1 333 . 1 1 34 34 TRP HH2 H 1 6.710 0.030 . 1 . . . . 34 TRP HH2 . 10251 1 334 . 1 1 34 34 TRP HZ2 H 1 7.203 0.030 . 1 . . . . 34 TRP HZ2 . 10251 1 335 . 1 1 34 34 TRP HZ3 H 1 6.804 0.030 . 1 . . . . 34 TRP HZ3 . 10251 1 336 . 1 1 34 34 TRP C C 13 176.090 0.300 . 1 . . . . 34 TRP C . 10251 1 337 . 1 1 34 34 TRP CA C 13 57.119 0.300 . 1 . . . . 34 TRP CA . 10251 1 338 . 1 1 34 34 TRP CB C 13 30.596 0.300 . 1 . . . . 34 TRP CB . 10251 1 339 . 1 1 34 34 TRP CD1 C 13 127.214 0.300 . 1 . . . . 34 TRP CD1 . 10251 1 340 . 1 1 34 34 TRP CE3 C 13 119.448 0.300 . 1 . . . . 34 TRP CE3 . 10251 1 341 . 1 1 34 34 TRP CH2 C 13 123.966 0.300 . 1 . . . . 34 TRP CH2 . 10251 1 342 . 1 1 34 34 TRP CZ2 C 13 114.633 0.300 . 1 . . . . 34 TRP CZ2 . 10251 1 343 . 1 1 34 34 TRP CZ3 C 13 122.392 0.300 . 1 . . . . 34 TRP CZ3 . 10251 1 344 . 1 1 34 34 TRP N N 15 121.917 0.300 . 1 . . . . 34 TRP N . 10251 1 345 . 1 1 34 34 TRP NE1 N 15 130.722 0.300 . 1 . . . . 34 TRP NE1 . 10251 1 346 . 1 1 35 35 LYS H H 1 8.404 0.030 . 1 . . . . 35 LYS H . 10251 1 347 . 1 1 35 35 LYS HA H 1 4.846 0.030 . 1 . . . . 35 LYS HA . 10251 1 348 . 1 1 35 35 LYS HB2 H 1 1.713 0.030 . 1 . . . . 35 LYS HB2 . 10251 1 349 . 1 1 35 35 LYS HB3 H 1 1.713 0.030 . 1 . . . . 35 LYS HB3 . 10251 1 350 . 1 1 35 35 LYS HE2 H 1 2.981 0.030 . 1 . . . . 35 LYS HE2 . 10251 1 351 . 1 1 35 35 LYS HE3 H 1 2.981 0.030 . 1 . . . . 35 LYS HE3 . 10251 1 352 . 1 1 35 35 LYS HG2 H 1 1.397 0.030 . 1 . . . . 35 LYS HG2 . 10251 1 353 . 1 1 35 35 LYS HG3 H 1 1.397 0.030 . 1 . . . . 35 LYS HG3 . 10251 1 354 . 1 1 35 35 LYS C C 13 176.088 0.300 . 1 . . . . 35 LYS C . 10251 1 355 . 1 1 35 35 LYS CA C 13 54.418 0.300 . 1 . . . . 35 LYS CA . 10251 1 356 . 1 1 35 35 LYS CB C 13 36.125 0.300 . 1 . . . . 35 LYS CB . 10251 1 357 . 1 1 35 35 LYS CD C 13 29.052 0.300 . 1 . . . . 35 LYS CD . 10251 1 358 . 1 1 35 35 LYS CE C 13 42.459 0.300 . 1 . . . . 35 LYS CE . 10251 1 359 . 1 1 35 35 LYS CG C 13 25.081 0.300 . 1 . . . . 35 LYS CG . 10251 1 360 . 1 1 35 35 LYS N N 15 120.864 0.300 . 1 . . . . 35 LYS N . 10251 1 361 . 1 1 36 36 VAL H H 1 8.977 0.030 . 1 . . . . 36 VAL H . 10251 1 362 . 1 1 36 36 VAL HA H 1 4.274 0.030 . 1 . . . . 36 VAL HA . 10251 1 363 . 1 1 36 36 VAL HB H 1 2.023 0.030 . 1 . . . . 36 VAL HB . 10251 1 364 . 1 1 36 36 VAL HG11 H 1 0.940 0.030 . 1 . . . . 36 VAL HG1 . 10251 1 365 . 1 1 36 36 VAL HG12 H 1 0.940 0.030 . 1 . . . . 36 VAL HG1 . 10251 1 366 . 1 1 36 36 VAL HG13 H 1 0.940 0.030 . 1 . . . . 36 VAL HG1 . 10251 1 367 . 1 1 36 36 VAL HG21 H 1 1.035 0.030 . 1 . . . . 36 VAL HG2 . 10251 1 368 . 1 1 36 36 VAL HG22 H 1 1.035 0.030 . 1 . . . . 36 VAL HG2 . 10251 1 369 . 1 1 36 36 VAL HG23 H 1 1.035 0.030 . 1 . . . . 36 VAL HG2 . 10251 1 370 . 1 1 36 36 VAL C C 13 176.733 0.300 . 1 . . . . 36 VAL C . 10251 1 371 . 1 1 36 36 VAL CA C 13 64.319 0.300 . 1 . . . . 36 VAL CA . 10251 1 372 . 1 1 36 36 VAL CB C 13 31.602 0.300 . 1 . . . . 36 VAL CB . 10251 1 373 . 1 1 36 36 VAL CG1 C 13 21.581 0.300 . 2 . . . . 36 VAL CG1 . 10251 1 374 . 1 1 36 36 VAL CG2 C 13 22.573 0.300 . 2 . . . . 36 VAL CG2 . 10251 1 375 . 1 1 36 36 VAL N N 15 124.314 0.300 . 1 . . . . 36 VAL N . 10251 1 376 . 1 1 37 37 ARG H H 1 9.498 0.030 . 1 . . . . 37 ARG H . 10251 1 377 . 1 1 37 37 ARG HA H 1 5.053 0.030 . 1 . . . . 37 ARG HA . 10251 1 378 . 1 1 37 37 ARG HB2 H 1 1.712 0.030 . 2 . . . . 37 ARG HB2 . 10251 1 379 . 1 1 37 37 ARG HB3 H 1 1.845 0.030 . 2 . . . . 37 ARG HB3 . 10251 1 380 . 1 1 37 37 ARG HD2 H 1 2.927 0.030 . 2 . . . . 37 ARG HD2 . 10251 1 381 . 1 1 37 37 ARG HD3 H 1 3.386 0.030 . 2 . . . . 37 ARG HD3 . 10251 1 382 . 1 1 37 37 ARG HG2 H 1 1.714 0.030 . 2 . . . . 37 ARG HG2 . 10251 1 383 . 1 1 37 37 ARG HG3 H 1 1.533 0.030 . 2 . . . . 37 ARG HG3 . 10251 1 384 . 1 1 37 37 ARG C C 13 174.442 0.300 . 1 . . . . 37 ARG C . 10251 1 385 . 1 1 37 37 ARG CA C 13 53.272 0.300 . 1 . . . . 37 ARG CA . 10251 1 386 . 1 1 37 37 ARG CB C 13 34.563 0.300 . 1 . . . . 37 ARG CB . 10251 1 387 . 1 1 37 37 ARG CD C 13 43.757 0.300 . 1 . . . . 37 ARG CD . 10251 1 388 . 1 1 37 37 ARG CG C 13 27.883 0.300 . 1 . . . . 37 ARG CG . 10251 1 389 . 1 1 37 37 ARG N N 15 128.121 0.300 . 1 . . . . 37 ARG N . 10251 1 390 . 1 1 38 38 ARG H H 1 8.755 0.030 . 1 . . . . 38 ARG H . 10251 1 391 . 1 1 38 38 ARG HA H 1 4.626 0.030 . 1 . . . . 38 ARG HA . 10251 1 392 . 1 1 38 38 ARG HB2 H 1 1.816 0.030 . 2 . . . . 38 ARG HB2 . 10251 1 393 . 1 1 38 38 ARG HB3 H 1 1.436 0.030 . 2 . . . . 38 ARG HB3 . 10251 1 394 . 1 1 38 38 ARG HD2 H 1 2.850 0.030 . 2 . . . . 38 ARG HD2 . 10251 1 395 . 1 1 38 38 ARG HD3 H 1 3.046 0.030 . 2 . . . . 38 ARG HD3 . 10251 1 396 . 1 1 38 38 ARG HG2 H 1 1.095 0.030 . 2 . . . . 38 ARG HG2 . 10251 1 397 . 1 1 38 38 ARG HG3 H 1 0.924 0.030 . 2 . . . . 38 ARG HG3 . 10251 1 398 . 1 1 38 38 ARG C C 13 175.514 0.300 . 1 . . . . 38 ARG C . 10251 1 399 . 1 1 38 38 ARG CA C 13 55.601 0.300 . 1 . . . . 38 ARG CA . 10251 1 400 . 1 1 38 38 ARG CB C 13 32.219 0.300 . 1 . . . . 38 ARG CB . 10251 1 401 . 1 1 38 38 ARG CD C 13 42.952 0.300 . 1 . . . . 38 ARG CD . 10251 1 402 . 1 1 38 38 ARG CG C 13 27.900 0.300 . 1 . . . . 38 ARG CG . 10251 1 403 . 1 1 38 38 ARG N N 15 121.442 0.300 . 1 . . . . 38 ARG N . 10251 1 404 . 1 1 39 39 PHE H H 1 9.865 0.030 . 1 . . . . 39 PHE H . 10251 1 405 . 1 1 39 39 PHE HA H 1 5.424 0.030 . 1 . . . . 39 PHE HA . 10251 1 406 . 1 1 39 39 PHE HB2 H 1 2.754 0.030 . 2 . . . . 39 PHE HB2 . 10251 1 407 . 1 1 39 39 PHE HB3 H 1 2.603 0.030 . 2 . . . . 39 PHE HB3 . 10251 1 408 . 1 1 39 39 PHE HD1 H 1 7.047 0.030 . 1 . . . . 39 PHE HD1 . 10251 1 409 . 1 1 39 39 PHE HD2 H 1 7.047 0.030 . 1 . . . . 39 PHE HD2 . 10251 1 410 . 1 1 39 39 PHE HE1 H 1 6.805 0.030 . 1 . . . . 39 PHE HE1 . 10251 1 411 . 1 1 39 39 PHE HE2 H 1 6.805 0.030 . 1 . . . . 39 PHE HE2 . 10251 1 412 . 1 1 39 39 PHE HZ H 1 6.475 0.030 . 1 . . . . 39 PHE HZ . 10251 1 413 . 1 1 39 39 PHE C C 13 175.423 0.300 . 1 . . . . 39 PHE C . 10251 1 414 . 1 1 39 39 PHE CA C 13 57.419 0.300 . 1 . . . . 39 PHE CA . 10251 1 415 . 1 1 39 39 PHE CB C 13 42.623 0.300 . 1 . . . . 39 PHE CB . 10251 1 416 . 1 1 39 39 PHE CD1 C 13 131.899 0.300 . 1 . . . . 39 PHE CD1 . 10251 1 417 . 1 1 39 39 PHE CD2 C 13 131.899 0.300 . 1 . . . . 39 PHE CD2 . 10251 1 418 . 1 1 39 39 PHE CE1 C 13 130.677 0.300 . 1 . . . . 39 PHE CE1 . 10251 1 419 . 1 1 39 39 PHE CE2 C 13 130.677 0.300 . 1 . . . . 39 PHE CE2 . 10251 1 420 . 1 1 39 39 PHE CZ C 13 127.862 0.300 . 1 . . . . 39 PHE CZ . 10251 1 421 . 1 1 39 39 PHE N N 15 130.027 0.300 . 1 . . . . 39 PHE N . 10251 1 422 . 1 1 40 40 VAL H H 1 9.300 0.030 . 1 . . . . 40 VAL H . 10251 1 423 . 1 1 40 40 VAL HA H 1 4.846 0.030 . 1 . . . . 40 VAL HA . 10251 1 424 . 1 1 40 40 VAL HB H 1 2.195 0.030 . 1 . . . . 40 VAL HB . 10251 1 425 . 1 1 40 40 VAL HG11 H 1 0.899 0.030 . 1 . . . . 40 VAL HG1 . 10251 1 426 . 1 1 40 40 VAL HG12 H 1 0.899 0.030 . 1 . . . . 40 VAL HG1 . 10251 1 427 . 1 1 40 40 VAL HG13 H 1 0.899 0.030 . 1 . . . . 40 VAL HG1 . 10251 1 428 . 1 1 40 40 VAL HG21 H 1 1.035 0.030 . 1 . . . . 40 VAL HG2 . 10251 1 429 . 1 1 40 40 VAL HG22 H 1 1.035 0.030 . 1 . . . . 40 VAL HG2 . 10251 1 430 . 1 1 40 40 VAL HG23 H 1 1.035 0.030 . 1 . . . . 40 VAL HG2 . 10251 1 431 . 1 1 40 40 VAL C C 13 174.477 0.300 . 1 . . . . 40 VAL C . 10251 1 432 . 1 1 40 40 VAL CA C 13 62.343 0.300 . 1 . . . . 40 VAL CA . 10251 1 433 . 1 1 40 40 VAL CB C 13 35.755 0.300 . 1 . . . . 40 VAL CB . 10251 1 434 . 1 1 40 40 VAL CG1 C 13 21.814 0.300 . 2 . . . . 40 VAL CG1 . 10251 1 435 . 1 1 40 40 VAL CG2 C 13 23.361 0.300 . 2 . . . . 40 VAL CG2 . 10251 1 436 . 1 1 40 40 VAL N N 15 119.369 0.300 . 1 . . . . 40 VAL N . 10251 1 437 . 1 1 41 41 LEU H H 1 9.557 0.030 . 1 . . . . 41 LEU H . 10251 1 438 . 1 1 41 41 LEU HA H 1 5.292 0.030 . 1 . . . . 41 LEU HA . 10251 1 439 . 1 1 41 41 LEU HB2 H 1 2.075 0.030 . 2 . . . . 41 LEU HB2 . 10251 1 440 . 1 1 41 41 LEU HB3 H 1 1.544 0.030 . 2 . . . . 41 LEU HB3 . 10251 1 441 . 1 1 41 41 LEU HD11 H 1 0.735 0.030 . 1 . . . . 41 LEU HD1 . 10251 1 442 . 1 1 41 41 LEU HD12 H 1 0.735 0.030 . 1 . . . . 41 LEU HD1 . 10251 1 443 . 1 1 41 41 LEU HD13 H 1 0.735 0.030 . 1 . . . . 41 LEU HD1 . 10251 1 444 . 1 1 41 41 LEU HD21 H 1 1.024 0.030 . 1 . . . . 41 LEU HD2 . 10251 1 445 . 1 1 41 41 LEU HD22 H 1 1.024 0.030 . 1 . . . . 41 LEU HD2 . 10251 1 446 . 1 1 41 41 LEU HD23 H 1 1.024 0.030 . 1 . . . . 41 LEU HD2 . 10251 1 447 . 1 1 41 41 LEU HG H 1 1.403 0.030 . 1 . . . . 41 LEU HG . 10251 1 448 . 1 1 41 41 LEU C C 13 174.632 0.300 . 1 . . . . 41 LEU C . 10251 1 449 . 1 1 41 41 LEU CA C 13 53.571 0.300 . 1 . . . . 41 LEU CA . 10251 1 450 . 1 1 41 41 LEU CB C 13 45.337 0.300 . 1 . . . . 41 LEU CB . 10251 1 451 . 1 1 41 41 LEU CD1 C 13 26.671 0.300 . 2 . . . . 41 LEU CD1 . 10251 1 452 . 1 1 41 41 LEU CD2 C 13 26.086 0.300 . 2 . . . . 41 LEU CD2 . 10251 1 453 . 1 1 41 41 LEU CG C 13 27.086 0.300 . 1 . . . . 41 LEU CG . 10251 1 454 . 1 1 41 41 LEU N N 15 132.121 0.300 . 1 . . . . 41 LEU N . 10251 1 455 . 1 1 42 42 ARG H H 1 9.396 0.030 . 1 . . . . 42 ARG H . 10251 1 456 . 1 1 42 42 ARG HA H 1 5.366 0.030 . 1 . . . . 42 ARG HA . 10251 1 457 . 1 1 42 42 ARG HB2 H 1 1.806 0.030 . 2 . . . . 42 ARG HB2 . 10251 1 458 . 1 1 42 42 ARG HB3 H 1 1.645 0.030 . 2 . . . . 42 ARG HB3 . 10251 1 459 . 1 1 42 42 ARG HD2 H 1 2.944 0.030 . 2 . . . . 42 ARG HD2 . 10251 1 460 . 1 1 42 42 ARG HD3 H 1 3.264 0.030 . 2 . . . . 42 ARG HD3 . 10251 1 461 . 1 1 42 42 ARG HE H 1 7.075 0.030 . 1 . . . . 42 ARG HE . 10251 1 462 . 1 1 42 42 ARG HG2 H 1 1.185 0.030 . 2 . . . . 42 ARG HG2 . 10251 1 463 . 1 1 42 42 ARG HG3 H 1 1.728 0.030 . 2 . . . . 42 ARG HG3 . 10251 1 464 . 1 1 42 42 ARG C C 13 173.997 0.300 . 1 . . . . 42 ARG C . 10251 1 465 . 1 1 42 42 ARG CA C 13 54.631 0.300 . 1 . . . . 42 ARG CA . 10251 1 466 . 1 1 42 42 ARG CB C 13 35.550 0.300 . 1 . . . . 42 ARG CB . 10251 1 467 . 1 1 42 42 ARG CD C 13 43.692 0.300 . 1 . . . . 42 ARG CD . 10251 1 468 . 1 1 42 42 ARG CG C 13 30.905 0.300 . 1 . . . . 42 ARG CG . 10251 1 469 . 1 1 42 42 ARG N N 15 128.120 0.300 . 1 . . . . 42 ARG N . 10251 1 470 . 1 1 42 42 ARG NE N 15 86.822 0.300 . 1 . . . . 42 ARG NE . 10251 1 471 . 1 1 43 43 LYS H H 1 8.597 0.030 . 1 . . . . 43 LYS H . 10251 1 472 . 1 1 43 43 LYS HA H 1 4.558 0.030 . 1 . . . . 43 LYS HA . 10251 1 473 . 1 1 43 43 LYS HB2 H 1 1.795 0.030 . 2 . . . . 43 LYS HB2 . 10251 1 474 . 1 1 43 43 LYS HB3 H 1 1.594 0.030 . 2 . . . . 43 LYS HB3 . 10251 1 475 . 1 1 43 43 LYS HD2 H 1 1.576 0.030 . 1 . . . . 43 LYS HD2 . 10251 1 476 . 1 1 43 43 LYS HD3 H 1 1.576 0.030 . 1 . . . . 43 LYS HD3 . 10251 1 477 . 1 1 43 43 LYS HE2 H 1 2.816 0.030 . 2 . . . . 43 LYS HE2 . 10251 1 478 . 1 1 43 43 LYS HE3 H 1 2.926 0.030 . 2 . . . . 43 LYS HE3 . 10251 1 479 . 1 1 43 43 LYS HG2 H 1 1.195 0.030 . 2 . . . . 43 LYS HG2 . 10251 1 480 . 1 1 43 43 LYS HG3 H 1 1.302 0.030 . 2 . . . . 43 LYS HG3 . 10251 1 481 . 1 1 43 43 LYS C C 13 174.648 0.300 . 1 . . . . 43 LYS C . 10251 1 482 . 1 1 43 43 LYS CA C 13 53.378 0.300 . 1 . . . . 43 LYS CA . 10251 1 483 . 1 1 43 43 LYS CB C 13 37.303 0.300 . 1 . . . . 43 LYS CB . 10251 1 484 . 1 1 43 43 LYS CD C 13 29.884 0.300 . 1 . . . . 43 LYS CD . 10251 1 485 . 1 1 43 43 LYS CE C 13 42.067 0.300 . 1 . . . . 43 LYS CE . 10251 1 486 . 1 1 43 43 LYS CG C 13 24.117 0.300 . 1 . . . . 43 LYS CG . 10251 1 487 . 1 1 43 43 LYS N N 15 114.484 0.300 . 1 . . . . 43 LYS N . 10251 1 488 . 1 1 44 44 ASP H H 1 8.388 0.030 . 1 . . . . 44 ASP H . 10251 1 489 . 1 1 44 44 ASP HA H 1 4.349 0.030 . 1 . . . . 44 ASP HA . 10251 1 490 . 1 1 44 44 ASP HB2 H 1 2.792 0.030 . 2 . . . . 44 ASP HB2 . 10251 1 491 . 1 1 44 44 ASP HB3 H 1 2.874 0.030 . 2 . . . . 44 ASP HB3 . 10251 1 492 . 1 1 44 44 ASP C C 13 173.376 0.300 . 1 . . . . 44 ASP C . 10251 1 493 . 1 1 44 44 ASP CA C 13 54.842 0.300 . 1 . . . . 44 ASP CA . 10251 1 494 . 1 1 44 44 ASP CB C 13 39.991 0.300 . 1 . . . . 44 ASP CB . 10251 1 495 . 1 1 44 44 ASP N N 15 115.453 0.300 . 1 . . . . 44 ASP N . 10251 1 496 . 1 1 45 45 PRO HA H 1 4.652 0.030 . 1 . . . . 45 PRO HA . 10251 1 497 . 1 1 45 45 PRO HB2 H 1 2.398 0.030 . 2 . . . . 45 PRO HB2 . 10251 1 498 . 1 1 45 45 PRO HB3 H 1 2.235 0.030 . 2 . . . . 45 PRO HB3 . 10251 1 499 . 1 1 45 45 PRO HD2 H 1 3.514 0.030 . 2 . . . . 45 PRO HD2 . 10251 1 500 . 1 1 45 45 PRO HD3 H 1 3.436 0.030 . 2 . . . . 45 PRO HD3 . 10251 1 501 . 1 1 45 45 PRO HG2 H 1 1.974 0.030 . 2 . . . . 45 PRO HG2 . 10251 1 502 . 1 1 45 45 PRO HG3 H 1 2.035 0.030 . 2 . . . . 45 PRO HG3 . 10251 1 503 . 1 1 45 45 PRO C C 13 176.914 0.300 . 1 . . . . 45 PRO C . 10251 1 504 . 1 1 45 45 PRO CA C 13 63.490 0.300 . 1 . . . . 45 PRO CA . 10251 1 505 . 1 1 45 45 PRO CB C 13 34.892 0.300 . 1 . . . . 45 PRO CB . 10251 1 506 . 1 1 45 45 PRO CD C 13 50.657 0.300 . 1 . . . . 45 PRO CD . 10251 1 507 . 1 1 45 45 PRO CG C 13 24.693 0.300 . 1 . . . . 45 PRO CG . 10251 1 508 . 1 1 46 46 ALA H H 1 8.112 0.030 . 1 . . . . 46 ALA H . 10251 1 509 . 1 1 46 46 ALA HA H 1 5.455 0.030 . 1 . . . . 46 ALA HA . 10251 1 510 . 1 1 46 46 ALA HB1 H 1 1.493 0.030 . 1 . . . . 46 ALA HB . 10251 1 511 . 1 1 46 46 ALA HB2 H 1 1.493 0.030 . 1 . . . . 46 ALA HB . 10251 1 512 . 1 1 46 46 ALA HB3 H 1 1.493 0.030 . 1 . . . . 46 ALA HB . 10251 1 513 . 1 1 46 46 ALA C C 13 177.234 0.300 . 1 . . . . 46 ALA C . 10251 1 514 . 1 1 46 46 ALA CA C 13 51.560 0.300 . 1 . . . . 46 ALA CA . 10251 1 515 . 1 1 46 46 ALA CB C 13 20.122 0.300 . 1 . . . . 46 ALA CB . 10251 1 516 . 1 1 46 46 ALA N N 15 120.155 0.300 . 1 . . . . 46 ALA N . 10251 1 517 . 1 1 47 47 PHE H H 1 8.717 0.030 . 1 . . . . 47 PHE H . 10251 1 518 . 1 1 47 47 PHE HA H 1 4.795 0.030 . 1 . . . . 47 PHE HA . 10251 1 519 . 1 1 47 47 PHE HB2 H 1 2.933 0.030 . 2 . . . . 47 PHE HB2 . 10251 1 520 . 1 1 47 47 PHE HB3 H 1 2.807 0.030 . 2 . . . . 47 PHE HB3 . 10251 1 521 . 1 1 47 47 PHE HD1 H 1 6.648 0.030 . 1 . . . . 47 PHE HD1 . 10251 1 522 . 1 1 47 47 PHE HD2 H 1 6.648 0.030 . 1 . . . . 47 PHE HD2 . 10251 1 523 . 1 1 47 47 PHE HE1 H 1 7.194 0.030 . 1 . . . . 47 PHE HE1 . 10251 1 524 . 1 1 47 47 PHE HE2 H 1 7.194 0.030 . 1 . . . . 47 PHE HE2 . 10251 1 525 . 1 1 47 47 PHE HZ H 1 7.322 0.030 . 1 . . . . 47 PHE HZ . 10251 1 526 . 1 1 47 47 PHE C C 13 172.588 0.300 . 1 . . . . 47 PHE C . 10251 1 527 . 1 1 47 47 PHE CA C 13 57.348 0.300 . 1 . . . . 47 PHE CA . 10251 1 528 . 1 1 47 47 PHE CB C 13 47.123 0.300 . 1 . . . . 47 PHE CB . 10251 1 529 . 1 1 47 47 PHE CD1 C 13 131.954 0.300 . 1 . . . . 47 PHE CD1 . 10251 1 530 . 1 1 47 47 PHE CD2 C 13 131.954 0.300 . 1 . . . . 47 PHE CD2 . 10251 1 531 . 1 1 47 47 PHE CE1 C 13 131.040 0.300 . 1 . . . . 47 PHE CE1 . 10251 1 532 . 1 1 47 47 PHE CE2 C 13 131.040 0.300 . 1 . . . . 47 PHE CE2 . 10251 1 533 . 1 1 47 47 PHE CZ C 13 129.902 0.300 . 1 . . . . 47 PHE CZ . 10251 1 534 . 1 1 47 47 PHE N N 15 129.946 0.300 . 1 . . . . 47 PHE N . 10251 1 535 . 1 1 48 48 LEU H H 1 7.883 0.030 . 1 . . . . 48 LEU H . 10251 1 536 . 1 1 48 48 LEU HA H 1 5.198 0.030 . 1 . . . . 48 LEU HA . 10251 1 537 . 1 1 48 48 LEU HB2 H 1 1.068 0.030 . 2 . . . . 48 LEU HB2 . 10251 1 538 . 1 1 48 48 LEU HB3 H 1 0.916 0.030 . 2 . . . . 48 LEU HB3 . 10251 1 539 . 1 1 48 48 LEU HD11 H 1 1.196 0.030 . 1 . . . . 48 LEU HD1 . 10251 1 540 . 1 1 48 48 LEU HD12 H 1 1.196 0.030 . 1 . . . . 48 LEU HD1 . 10251 1 541 . 1 1 48 48 LEU HD13 H 1 1.196 0.030 . 1 . . . . 48 LEU HD1 . 10251 1 542 . 1 1 48 48 LEU HD21 H 1 0.814 0.030 . 1 . . . . 48 LEU HD2 . 10251 1 543 . 1 1 48 48 LEU HD22 H 1 0.814 0.030 . 1 . . . . 48 LEU HD2 . 10251 1 544 . 1 1 48 48 LEU HD23 H 1 0.814 0.030 . 1 . . . . 48 LEU HD2 . 10251 1 545 . 1 1 48 48 LEU HG H 1 1.411 0.030 . 1 . . . . 48 LEU HG . 10251 1 546 . 1 1 48 48 LEU C C 13 173.569 0.300 . 1 . . . . 48 LEU C . 10251 1 547 . 1 1 48 48 LEU CA C 13 53.290 0.300 . 1 . . . . 48 LEU CA . 10251 1 548 . 1 1 48 48 LEU CB C 13 45.502 0.300 . 1 . . . . 48 LEU CB . 10251 1 549 . 1 1 48 48 LEU CD1 C 13 25.022 0.300 . 2 . . . . 48 LEU CD1 . 10251 1 550 . 1 1 48 48 LEU CD2 C 13 25.322 0.300 . 2 . . . . 48 LEU CD2 . 10251 1 551 . 1 1 48 48 LEU CG C 13 27.325 0.300 . 1 . . . . 48 LEU CG . 10251 1 552 . 1 1 48 48 LEU N N 15 121.108 0.300 . 1 . . . . 48 LEU N . 10251 1 553 . 1 1 49 49 HIS H H 1 8.606 0.030 . 1 . . . . 49 HIS H . 10251 1 554 . 1 1 49 49 HIS HA H 1 5.035 0.030 . 1 . . . . 49 HIS HA . 10251 1 555 . 1 1 49 49 HIS HB2 H 1 2.765 0.030 . 2 . . . . 49 HIS HB2 . 10251 1 556 . 1 1 49 49 HIS HB3 H 1 2.650 0.030 . 2 . . . . 49 HIS HB3 . 10251 1 557 . 1 1 49 49 HIS HD2 H 1 6.486 0.030 . 1 . . . . 49 HIS HD2 . 10251 1 558 . 1 1 49 49 HIS HE1 H 1 7.047 0.030 . 1 . . . . 49 HIS HE1 . 10251 1 559 . 1 1 49 49 HIS C C 13 173.993 0.300 . 1 . . . . 49 HIS C . 10251 1 560 . 1 1 49 49 HIS CA C 13 56.483 0.300 . 1 . . . . 49 HIS CA . 10251 1 561 . 1 1 49 49 HIS CB C 13 35.919 0.300 . 1 . . . . 49 HIS CB . 10251 1 562 . 1 1 49 49 HIS CD2 C 13 116.324 0.300 . 1 . . . . 49 HIS CD2 . 10251 1 563 . 1 1 49 49 HIS CE1 C 13 138.324 0.300 . 1 . . . . 49 HIS CE1 . 10251 1 564 . 1 1 49 49 HIS N N 15 121.199 0.300 . 1 . . . . 49 HIS N . 10251 1 565 . 1 1 50 50 TYR H H 1 7.777 0.030 . 1 . . . . 50 TYR H . 10251 1 566 . 1 1 50 50 TYR HA H 1 5.695 0.030 . 1 . . . . 50 TYR HA . 10251 1 567 . 1 1 50 50 TYR HB2 H 1 1.738 0.030 . 2 . . . . 50 TYR HB2 . 10251 1 568 . 1 1 50 50 TYR HB3 H 1 1.298 0.030 . 2 . . . . 50 TYR HB3 . 10251 1 569 . 1 1 50 50 TYR HD1 H 1 6.265 0.030 . 1 . . . . 50 TYR HD1 . 10251 1 570 . 1 1 50 50 TYR HD2 H 1 6.265 0.030 . 1 . . . . 50 TYR HD2 . 10251 1 571 . 1 1 50 50 TYR HE1 H 1 6.595 0.030 . 1 . . . . 50 TYR HE1 . 10251 1 572 . 1 1 50 50 TYR HE2 H 1 6.595 0.030 . 1 . . . . 50 TYR HE2 . 10251 1 573 . 1 1 50 50 TYR C C 13 174.284 0.300 . 1 . . . . 50 TYR C . 10251 1 574 . 1 1 50 50 TYR CA C 13 53.430 0.300 . 1 . . . . 50 TYR CA . 10251 1 575 . 1 1 50 50 TYR CB C 13 38.552 0.300 . 1 . . . . 50 TYR CB . 10251 1 576 . 1 1 50 50 TYR CD1 C 13 133.737 0.300 . 1 . . . . 50 TYR CD1 . 10251 1 577 . 1 1 50 50 TYR CD2 C 13 133.737 0.300 . 1 . . . . 50 TYR CD2 . 10251 1 578 . 1 1 50 50 TYR CE1 C 13 117.475 0.300 . 1 . . . . 50 TYR CE1 . 10251 1 579 . 1 1 50 50 TYR CE2 C 13 117.475 0.300 . 1 . . . . 50 TYR CE2 . 10251 1 580 . 1 1 50 50 TYR N N 15 114.156 0.300 . 1 . . . . 50 TYR N . 10251 1 581 . 1 1 51 51 TYR H H 1 9.323 0.030 . 1 . . . . 51 TYR H . 10251 1 582 . 1 1 51 51 TYR HA H 1 4.600 0.030 . 1 . . . . 51 TYR HA . 10251 1 583 . 1 1 51 51 TYR HB2 H 1 2.785 0.030 . 2 . . . . 51 TYR HB2 . 10251 1 584 . 1 1 51 51 TYR HB3 H 1 3.118 0.030 . 2 . . . . 51 TYR HB3 . 10251 1 585 . 1 1 51 51 TYR HD1 H 1 7.031 0.030 . 1 . . . . 51 TYR HD1 . 10251 1 586 . 1 1 51 51 TYR HD2 H 1 7.031 0.030 . 1 . . . . 51 TYR HD2 . 10251 1 587 . 1 1 51 51 TYR HE1 H 1 6.404 0.030 . 1 . . . . 51 TYR HE1 . 10251 1 588 . 1 1 51 51 TYR HE2 H 1 6.404 0.030 . 1 . . . . 51 TYR HE2 . 10251 1 589 . 1 1 51 51 TYR C C 13 175.352 0.300 . 1 . . . . 51 TYR C . 10251 1 590 . 1 1 51 51 TYR CA C 13 57.330 0.300 . 1 . . . . 51 TYR CA . 10251 1 591 . 1 1 51 51 TYR CB C 13 41.683 0.300 . 1 . . . . 51 TYR CB . 10251 1 592 . 1 1 51 51 TYR CD1 C 13 133.431 0.300 . 1 . . . . 51 TYR CD1 . 10251 1 593 . 1 1 51 51 TYR CD2 C 13 133.431 0.300 . 1 . . . . 51 TYR CD2 . 10251 1 594 . 1 1 51 51 TYR CE1 C 13 117.701 0.300 . 1 . . . . 51 TYR CE1 . 10251 1 595 . 1 1 51 51 TYR CE2 C 13 117.701 0.300 . 1 . . . . 51 TYR CE2 . 10251 1 596 . 1 1 51 51 TYR N N 15 119.100 0.300 . 1 . . . . 51 TYR N . 10251 1 597 . 1 1 52 52 ASP H H 1 9.375 0.030 . 1 . . . . 52 ASP H . 10251 1 598 . 1 1 52 52 ASP HA H 1 5.064 0.030 . 1 . . . . 52 ASP HA . 10251 1 599 . 1 1 52 52 ASP HB2 H 1 3.089 0.030 . 2 . . . . 52 ASP HB2 . 10251 1 600 . 1 1 52 52 ASP HB3 H 1 2.527 0.030 . 2 . . . . 52 ASP HB3 . 10251 1 601 . 1 1 52 52 ASP C C 13 175.484 0.300 . 1 . . . . 52 ASP C . 10251 1 602 . 1 1 52 52 ASP CA C 13 51.313 0.300 . 1 . . . . 52 ASP CA . 10251 1 603 . 1 1 52 52 ASP CB C 13 41.883 0.300 . 1 . . . . 52 ASP CB . 10251 1 604 . 1 1 52 52 ASP N N 15 124.636 0.300 . 1 . . . . 52 ASP N . 10251 1 605 . 1 1 53 53 PRO HA H 1 4.678 0.030 . 1 . . . . 53 PRO HA . 10251 1 606 . 1 1 53 53 PRO HB2 H 1 2.477 0.030 . 2 . . . . 53 PRO HB2 . 10251 1 607 . 1 1 53 53 PRO HB3 H 1 2.250 0.030 . 2 . . . . 53 PRO HB3 . 10251 1 608 . 1 1 53 53 PRO HD2 H 1 4.163 0.030 . 2 . . . . 53 PRO HD2 . 10251 1 609 . 1 1 53 53 PRO HD3 H 1 4.575 0.030 . 2 . . . . 53 PRO HD3 . 10251 1 610 . 1 1 53 53 PRO HG2 H 1 2.003 0.030 . 2 . . . . 53 PRO HG2 . 10251 1 611 . 1 1 53 53 PRO HG3 H 1 2.196 0.030 . 2 . . . . 53 PRO HG3 . 10251 1 612 . 1 1 53 53 PRO C C 13 176.781 0.300 . 1 . . . . 53 PRO C . 10251 1 613 . 1 1 53 53 PRO CA C 13 64.054 0.300 . 1 . . . . 53 PRO CA . 10251 1 614 . 1 1 53 53 PRO CB C 13 32.589 0.300 . 1 . . . . 53 PRO CB . 10251 1 615 . 1 1 53 53 PRO CD C 13 51.735 0.300 . 1 . . . . 53 PRO CD . 10251 1 616 . 1 1 53 53 PRO CG C 13 27.571 0.300 . 1 . . . . 53 PRO CG . 10251 1 617 . 1 1 54 54 SER H H 1 8.685 0.030 . 1 . . . . 54 SER H . 10251 1 618 . 1 1 54 54 SER HA H 1 4.483 0.030 . 1 . . . . 54 SER HA . 10251 1 619 . 1 1 54 54 SER HB2 H 1 4.033 0.030 . 2 . . . . 54 SER HB2 . 10251 1 620 . 1 1 54 54 SER HB3 H 1 3.963 0.030 . 2 . . . . 54 SER HB3 . 10251 1 621 . 1 1 54 54 SER C C 13 174.006 0.300 . 1 . . . . 54 SER C . 10251 1 622 . 1 1 54 54 SER CA C 13 59.378 0.300 . 1 . . . . 54 SER CA . 10251 1 623 . 1 1 54 54 SER CB C 13 64.132 0.300 . 1 . . . . 54 SER CB . 10251 1 624 . 1 1 54 54 SER N N 15 113.769 0.300 . 1 . . . . 54 SER N . 10251 1 625 . 1 1 55 55 LYS H H 1 7.706 0.030 . 1 . . . . 55 LYS H . 10251 1 626 . 1 1 55 55 LYS HA H 1 4.580 0.030 . 1 . . . . 55 LYS HA . 10251 1 627 . 1 1 55 55 LYS HB2 H 1 1.858 0.030 . 2 . . . . 55 LYS HB2 . 10251 1 628 . 1 1 55 55 LYS HB3 H 1 1.994 0.030 . 2 . . . . 55 LYS HB3 . 10251 1 629 . 1 1 55 55 LYS HD2 H 1 1.715 0.030 . 1 . . . . 55 LYS HD2 . 10251 1 630 . 1 1 55 55 LYS HD3 H 1 1.715 0.030 . 1 . . . . 55 LYS HD3 . 10251 1 631 . 1 1 55 55 LYS HE2 H 1 3.050 0.030 . 1 . . . . 55 LYS HE2 . 10251 1 632 . 1 1 55 55 LYS HE3 H 1 3.050 0.030 . 1 . . . . 55 LYS HE3 . 10251 1 633 . 1 1 55 55 LYS HG2 H 1 1.467 0.030 . 2 . . . . 55 LYS HG2 . 10251 1 634 . 1 1 55 55 LYS HG3 H 1 1.376 0.030 . 2 . . . . 55 LYS HG3 . 10251 1 635 . 1 1 55 55 LYS C C 13 175.969 0.300 . 1 . . . . 55 LYS C . 10251 1 636 . 1 1 55 55 LYS CA C 13 55.160 0.300 . 1 . . . . 55 LYS CA . 10251 1 637 . 1 1 55 55 LYS CB C 13 34.069 0.300 . 1 . . . . 55 LYS CB . 10251 1 638 . 1 1 55 55 LYS CD C 13 29.000 0.300 . 1 . . . . 55 LYS CD . 10251 1 639 . 1 1 55 55 LYS CE C 13 42.475 0.300 . 1 . . . . 55 LYS CE . 10251 1 640 . 1 1 55 55 LYS CG C 13 24.780 0.300 . 1 . . . . 55 LYS CG . 10251 1 641 . 1 1 55 55 LYS N N 15 122.222 0.300 . 1 . . . . 55 LYS N . 10251 1 642 . 1 1 56 56 GLU H H 1 8.666 0.030 . 1 . . . . 56 GLU H . 10251 1 643 . 1 1 56 56 GLU HA H 1 4.174 0.030 . 1 . . . . 56 GLU HA . 10251 1 644 . 1 1 56 56 GLU HB2 H 1 2.061 0.030 . 2 . . . . 56 GLU HB2 . 10251 1 645 . 1 1 56 56 GLU HB3 H 1 1.966 0.030 . 2 . . . . 56 GLU HB3 . 10251 1 646 . 1 1 56 56 GLU HG2 H 1 2.255 0.030 . 1 . . . . 56 GLU HG2 . 10251 1 647 . 1 1 56 56 GLU HG3 H 1 2.255 0.030 . 1 . . . . 56 GLU HG3 . 10251 1 648 . 1 1 56 56 GLU C C 13 177.084 0.300 . 1 . . . . 56 GLU C . 10251 1 649 . 1 1 56 56 GLU CA C 13 57.099 0.300 . 1 . . . . 56 GLU CA . 10251 1 650 . 1 1 56 56 GLU CB C 13 29.694 0.300 . 1 . . . . 56 GLU CB . 10251 1 651 . 1 1 56 56 GLU CG C 13 36.454 0.300 . 1 . . . . 56 GLU CG . 10251 1 652 . 1 1 56 56 GLU N N 15 122.015 0.300 . 1 . . . . 56 GLU N . 10251 1 653 . 1 1 57 57 GLU H H 1 8.303 0.030 . 1 . . . . 57 GLU H . 10251 1 654 . 1 1 57 57 GLU HA H 1 4.214 0.030 . 1 . . . . 57 GLU HA . 10251 1 655 . 1 1 57 57 GLU HB2 H 1 2.005 0.030 . 1 . . . . 57 GLU HB2 . 10251 1 656 . 1 1 57 57 GLU HB3 H 1 2.005 0.030 . 1 . . . . 57 GLU HB3 . 10251 1 657 . 1 1 57 57 GLU HG2 H 1 2.244 0.030 . 1 . . . . 57 GLU HG2 . 10251 1 658 . 1 1 57 57 GLU HG3 H 1 2.244 0.030 . 1 . . . . 57 GLU HG3 . 10251 1 659 . 1 1 57 57 GLU CA C 13 56.960 0.300 . 1 . . . . 57 GLU CA . 10251 1 660 . 1 1 57 57 GLU CB C 13 30.264 0.300 . 1 . . . . 57 GLU CB . 10251 1 661 . 1 1 57 57 GLU CG C 13 36.078 0.300 . 1 . . . . 57 GLU CG . 10251 1 662 . 1 1 57 57 GLU N N 15 119.884 0.300 . 1 . . . . 57 GLU N . 10251 1 663 . 1 1 58 58 ASN HA H 1 4.768 0.030 . 1 . . . . 58 ASN HA . 10251 1 664 . 1 1 58 58 ASN HB2 H 1 2.904 0.030 . 2 . . . . 58 ASN HB2 . 10251 1 665 . 1 1 58 58 ASN HB3 H 1 2.745 0.030 . 2 . . . . 58 ASN HB3 . 10251 1 666 . 1 1 58 58 ASN HD21 H 1 7.590 0.030 . 2 . . . . 58 ASN HD21 . 10251 1 667 . 1 1 58 58 ASN HD22 H 1 6.802 0.030 . 2 . . . . 58 ASN HD22 . 10251 1 668 . 1 1 58 58 ASN C C 13 174.902 0.300 . 1 . . . . 58 ASN C . 10251 1 669 . 1 1 58 58 ASN CA C 13 52.740 0.300 . 1 . . . . 58 ASN CA . 10251 1 670 . 1 1 58 58 ASN CB C 13 38.116 0.300 . 1 . . . . 58 ASN CB . 10251 1 671 . 1 1 58 58 ASN ND2 N 15 112.187 0.300 . 1 . . . . 58 ASN ND2 . 10251 1 672 . 1 1 59 59 ARG H H 1 7.805 0.030 . 1 . . . . 59 ARG H . 10251 1 673 . 1 1 59 59 ARG HA H 1 4.762 0.030 . 1 . . . . 59 ARG HA . 10251 1 674 . 1 1 59 59 ARG HB2 H 1 1.745 0.030 . 2 . . . . 59 ARG HB2 . 10251 1 675 . 1 1 59 59 ARG HB3 H 1 1.645 0.030 . 2 . . . . 59 ARG HB3 . 10251 1 676 . 1 1 59 59 ARG HD2 H 1 3.133 0.030 . 1 . . . . 59 ARG HD2 . 10251 1 677 . 1 1 59 59 ARG HD3 H 1 3.133 0.030 . 1 . . . . 59 ARG HD3 . 10251 1 678 . 1 1 59 59 ARG HG2 H 1 1.555 0.030 . 2 . . . . 59 ARG HG2 . 10251 1 679 . 1 1 59 59 ARG HG3 H 1 1.528 0.030 . 2 . . . . 59 ARG HG3 . 10251 1 680 . 1 1 59 59 ARG CA C 13 53.151 0.300 . 1 . . . . 59 ARG CA . 10251 1 681 . 1 1 59 59 ARG CB C 13 31.519 0.300 . 1 . . . . 59 ARG CB . 10251 1 682 . 1 1 59 59 ARG CD C 13 43.496 0.300 . 1 . . . . 59 ARG CD . 10251 1 683 . 1 1 59 59 ARG CG C 13 26.754 0.300 . 1 . . . . 59 ARG CG . 10251 1 684 . 1 1 59 59 ARG N N 15 121.060 0.300 . 1 . . . . 59 ARG N . 10251 1 685 . 1 1 60 60 PRO HA H 1 3.357 0.030 . 1 . . . . 60 PRO HA . 10251 1 686 . 1 1 60 60 PRO HB2 H 1 1.507 0.030 . 2 . . . . 60 PRO HB2 . 10251 1 687 . 1 1 60 60 PRO HB3 H 1 1.091 0.030 . 2 . . . . 60 PRO HB3 . 10251 1 688 . 1 1 60 60 PRO HD2 H 1 3.499 0.030 . 1 . . . . 60 PRO HD2 . 10251 1 689 . 1 1 60 60 PRO HD3 H 1 3.499 0.030 . 1 . . . . 60 PRO HD3 . 10251 1 690 . 1 1 60 60 PRO HG2 H 1 1.335 0.030 . 2 . . . . 60 PRO HG2 . 10251 1 691 . 1 1 60 60 PRO HG3 H 1 1.564 0.030 . 2 . . . . 60 PRO HG3 . 10251 1 692 . 1 1 60 60 PRO C C 13 176.817 0.300 . 1 . . . . 60 PRO C . 10251 1 693 . 1 1 60 60 PRO CA C 13 63.031 0.300 . 1 . . . . 60 PRO CA . 10251 1 694 . 1 1 60 60 PRO CB C 13 31.273 0.300 . 1 . . . . 60 PRO CB . 10251 1 695 . 1 1 60 60 PRO CD C 13 50.255 0.300 . 1 . . . . 60 PRO CD . 10251 1 696 . 1 1 60 60 PRO CG C 13 26.502 0.300 . 1 . . . . 60 PRO CG . 10251 1 697 . 1 1 61 61 VAL H H 1 8.627 0.030 . 1 . . . . 61 VAL H . 10251 1 698 . 1 1 61 61 VAL HA H 1 3.966 0.030 . 1 . . . . 61 VAL HA . 10251 1 699 . 1 1 61 61 VAL HB H 1 1.994 0.030 . 1 . . . . 61 VAL HB . 10251 1 700 . 1 1 61 61 VAL HG11 H 1 1.114 0.030 . 1 . . . . 61 VAL HG1 . 10251 1 701 . 1 1 61 61 VAL HG12 H 1 1.114 0.030 . 1 . . . . 61 VAL HG1 . 10251 1 702 . 1 1 61 61 VAL HG13 H 1 1.114 0.030 . 1 . . . . 61 VAL HG1 . 10251 1 703 . 1 1 61 61 VAL HG21 H 1 1.005 0.030 . 1 . . . . 61 VAL HG2 . 10251 1 704 . 1 1 61 61 VAL HG22 H 1 1.005 0.030 . 1 . . . . 61 VAL HG2 . 10251 1 705 . 1 1 61 61 VAL HG23 H 1 1.005 0.030 . 1 . . . . 61 VAL HG2 . 10251 1 706 . 1 1 61 61 VAL C C 13 176.503 0.300 . 1 . . . . 61 VAL C . 10251 1 707 . 1 1 61 61 VAL CA C 13 63.154 0.300 . 1 . . . . 61 VAL CA . 10251 1 708 . 1 1 61 61 VAL CB C 13 32.048 0.300 . 1 . . . . 61 VAL CB . 10251 1 709 . 1 1 61 61 VAL CG1 C 13 22.322 0.300 . 2 . . . . 61 VAL CG1 . 10251 1 710 . 1 1 61 61 VAL CG2 C 13 21.649 0.300 . 2 . . . . 61 VAL CG2 . 10251 1 711 . 1 1 61 61 VAL N N 15 119.185 0.300 . 1 . . . . 61 VAL N . 10251 1 712 . 1 1 62 62 GLY H H 1 6.715 0.030 . 1 . . . . 62 GLY H . 10251 1 713 . 1 1 62 62 GLY HA2 H 1 3.940 0.030 . 2 . . . . 62 GLY HA2 . 10251 1 714 . 1 1 62 62 GLY HA3 H 1 3.538 0.030 . 2 . . . . 62 GLY HA3 . 10251 1 715 . 1 1 62 62 GLY C C 13 169.983 0.300 . 1 . . . . 62 GLY C . 10251 1 716 . 1 1 62 62 GLY CA C 13 44.465 0.300 . 1 . . . . 62 GLY CA . 10251 1 717 . 1 1 62 62 GLY N N 15 105.813 0.300 . 1 . . . . 62 GLY N . 10251 1 718 . 1 1 63 63 GLY H H 1 8.004 0.030 . 1 . . . . 63 GLY H . 10251 1 719 . 1 1 63 63 GLY HA2 H 1 4.095 0.030 . 2 . . . . 63 GLY HA2 . 10251 1 720 . 1 1 63 63 GLY HA3 H 1 3.813 0.030 . 2 . . . . 63 GLY HA3 . 10251 1 721 . 1 1 63 63 GLY C C 13 171.870 0.300 . 1 . . . . 63 GLY C . 10251 1 722 . 1 1 63 63 GLY CA C 13 47.148 0.300 . 1 . . . . 63 GLY CA . 10251 1 723 . 1 1 63 63 GLY N N 15 105.089 0.300 . 1 . . . . 63 GLY N . 10251 1 724 . 1 1 64 64 PHE H H 1 7.967 0.030 . 1 . . . . 64 PHE H . 10251 1 725 . 1 1 64 64 PHE HA H 1 4.934 0.030 . 1 . . . . 64 PHE HA . 10251 1 726 . 1 1 64 64 PHE HB2 H 1 3.335 0.030 . 2 . . . . 64 PHE HB2 . 10251 1 727 . 1 1 64 64 PHE HB3 H 1 2.941 0.030 . 2 . . . . 64 PHE HB3 . 10251 1 728 . 1 1 64 64 PHE HD1 H 1 6.637 0.030 . 1 . . . . 64 PHE HD1 . 10251 1 729 . 1 1 64 64 PHE HD2 H 1 6.637 0.030 . 1 . . . . 64 PHE HD2 . 10251 1 730 . 1 1 64 64 PHE HE1 H 1 6.366 0.030 . 1 . . . . 64 PHE HE1 . 10251 1 731 . 1 1 64 64 PHE HE2 H 1 6.366 0.030 . 1 . . . . 64 PHE HE2 . 10251 1 732 . 1 1 64 64 PHE HZ H 1 6.357 0.030 . 1 . . . . 64 PHE HZ . 10251 1 733 . 1 1 64 64 PHE C C 13 173.140 0.300 . 1 . . . . 64 PHE C . 10251 1 734 . 1 1 64 64 PHE CA C 13 55.248 0.300 . 1 . . . . 64 PHE CA . 10251 1 735 . 1 1 64 64 PHE CB C 13 40.238 0.300 . 1 . . . . 64 PHE CB . 10251 1 736 . 1 1 64 64 PHE CD1 C 13 133.232 0.300 . 1 . . . . 64 PHE CD1 . 10251 1 737 . 1 1 64 64 PHE CD2 C 13 133.232 0.300 . 1 . . . . 64 PHE CD2 . 10251 1 738 . 1 1 64 64 PHE CE1 C 13 129.103 0.300 . 1 . . . . 64 PHE CE1 . 10251 1 739 . 1 1 64 64 PHE CE2 C 13 129.103 0.300 . 1 . . . . 64 PHE CE2 . 10251 1 740 . 1 1 64 64 PHE CZ C 13 127.418 0.300 . 1 . . . . 64 PHE CZ . 10251 1 741 . 1 1 64 64 PHE N N 15 113.387 0.300 . 1 . . . . 64 PHE N . 10251 1 742 . 1 1 65 65 SER H H 1 8.518 0.030 . 1 . . . . 65 SER H . 10251 1 743 . 1 1 65 65 SER HA H 1 3.264 0.030 . 1 . . . . 65 SER HA . 10251 1 744 . 1 1 65 65 SER HB2 H 1 3.659 0.030 . 2 . . . . 65 SER HB2 . 10251 1 745 . 1 1 65 65 SER HB3 H 1 3.566 0.030 . 2 . . . . 65 SER HB3 . 10251 1 746 . 1 1 65 65 SER C C 13 176.417 0.300 . 1 . . . . 65 SER C . 10251 1 747 . 1 1 65 65 SER CA C 13 56.819 0.300 . 1 . . . . 65 SER CA . 10251 1 748 . 1 1 65 65 SER CB C 13 63.391 0.300 . 1 . . . . 65 SER CB . 10251 1 749 . 1 1 65 65 SER N N 15 114.674 0.300 . 1 . . . . 65 SER N . 10251 1 750 . 1 1 66 66 LEU H H 1 7.404 0.030 . 1 . . . . 66 LEU H . 10251 1 751 . 1 1 66 66 LEU HA H 1 4.470 0.030 . 1 . . . . 66 LEU HA . 10251 1 752 . 1 1 66 66 LEU HB2 H 1 1.460 0.030 . 2 . . . . 66 LEU HB2 . 10251 1 753 . 1 1 66 66 LEU HB3 H 1 1.263 0.030 . 2 . . . . 66 LEU HB3 . 10251 1 754 . 1 1 66 66 LEU HD11 H 1 0.830 0.030 . 1 . . . . 66 LEU HD1 . 10251 1 755 . 1 1 66 66 LEU HD12 H 1 0.830 0.030 . 1 . . . . 66 LEU HD1 . 10251 1 756 . 1 1 66 66 LEU HD13 H 1 0.830 0.030 . 1 . . . . 66 LEU HD1 . 10251 1 757 . 1 1 66 66 LEU HD21 H 1 0.844 0.030 . 1 . . . . 66 LEU HD2 . 10251 1 758 . 1 1 66 66 LEU HD22 H 1 0.844 0.030 . 1 . . . . 66 LEU HD2 . 10251 1 759 . 1 1 66 66 LEU HD23 H 1 0.844 0.030 . 1 . . . . 66 LEU HD2 . 10251 1 760 . 1 1 66 66 LEU HG H 1 1.377 0.030 . 1 . . . . 66 LEU HG . 10251 1 761 . 1 1 66 66 LEU C C 13 177.993 0.300 . 1 . . . . 66 LEU C . 10251 1 762 . 1 1 66 66 LEU CA C 13 54.242 0.300 . 1 . . . . 66 LEU CA . 10251 1 763 . 1 1 66 66 LEU CB C 13 42.787 0.300 . 1 . . . . 66 LEU CB . 10251 1 764 . 1 1 66 66 LEU CD1 C 13 27.818 0.300 . 2 . . . . 66 LEU CD1 . 10251 1 765 . 1 1 66 66 LEU CD2 C 13 23.523 0.300 . 2 . . . . 66 LEU CD2 . 10251 1 766 . 1 1 66 66 LEU CG C 13 27.282 0.300 . 1 . . . . 66 LEU CG . 10251 1 767 . 1 1 66 66 LEU N N 15 123.988 0.300 . 1 . . . . 66 LEU N . 10251 1 768 . 1 1 67 67 ARG H H 1 7.865 0.030 . 1 . . . . 67 ARG H . 10251 1 769 . 1 1 67 67 ARG HA H 1 4.175 0.030 . 1 . . . . 67 ARG HA . 10251 1 770 . 1 1 67 67 ARG HB2 H 1 1.795 0.030 . 1 . . . . 67 ARG HB2 . 10251 1 771 . 1 1 67 67 ARG HB3 H 1 1.795 0.030 . 1 . . . . 67 ARG HB3 . 10251 1 772 . 1 1 67 67 ARG HD2 H 1 3.227 0.030 . 1 . . . . 67 ARG HD2 . 10251 1 773 . 1 1 67 67 ARG HD3 H 1 3.227 0.030 . 1 . . . . 67 ARG HD3 . 10251 1 774 . 1 1 67 67 ARG HG2 H 1 1.615 0.030 . 2 . . . . 67 ARG HG2 . 10251 1 775 . 1 1 67 67 ARG HG3 H 1 1.669 0.030 . 2 . . . . 67 ARG HG3 . 10251 1 776 . 1 1 67 67 ARG C C 13 178.562 0.300 . 1 . . . . 67 ARG C . 10251 1 777 . 1 1 67 67 ARG CA C 13 58.143 0.300 . 1 . . . . 67 ARG CA . 10251 1 778 . 1 1 67 67 ARG CB C 13 29.052 0.300 . 1 . . . . 67 ARG CB . 10251 1 779 . 1 1 67 67 ARG CD C 13 43.363 0.300 . 1 . . . . 67 ARG CD . 10251 1 780 . 1 1 67 67 ARG CG C 13 26.913 0.300 . 1 . . . . 67 ARG CG . 10251 1 781 . 1 1 67 67 ARG N N 15 122.494 0.300 . 1 . . . . 67 ARG N . 10251 1 782 . 1 1 68 68 GLY H H 1 9.398 0.030 . 1 . . . . 68 GLY H . 10251 1 783 . 1 1 68 68 GLY HA2 H 1 4.066 0.030 . 2 . . . . 68 GLY HA2 . 10251 1 784 . 1 1 68 68 GLY HA3 H 1 3.908 0.030 . 2 . . . . 68 GLY HA3 . 10251 1 785 . 1 1 68 68 GLY C C 13 173.982 0.300 . 1 . . . . 68 GLY C . 10251 1 786 . 1 1 68 68 GLY CA C 13 46.230 0.300 . 1 . . . . 68 GLY CA . 10251 1 787 . 1 1 68 68 GLY N N 15 117.548 0.300 . 1 . . . . 68 GLY N . 10251 1 788 . 1 1 69 69 SER H H 1 7.829 0.030 . 1 . . . . 69 SER H . 10251 1 789 . 1 1 69 69 SER HA H 1 4.807 0.030 . 1 . . . . 69 SER HA . 10251 1 790 . 1 1 69 69 SER HB2 H 1 3.811 0.030 . 2 . . . . 69 SER HB2 . 10251 1 791 . 1 1 69 69 SER HB3 H 1 3.714 0.030 . 2 . . . . 69 SER HB3 . 10251 1 792 . 1 1 69 69 SER C C 13 172.854 0.300 . 1 . . . . 69 SER C . 10251 1 793 . 1 1 69 69 SER CA C 13 59.290 0.300 . 1 . . . . 69 SER CA . 10251 1 794 . 1 1 69 69 SER CB C 13 65.366 0.300 . 1 . . . . 69 SER CB . 10251 1 795 . 1 1 69 69 SER N N 15 115.188 0.300 . 1 . . . . 69 SER N . 10251 1 796 . 1 1 70 70 LEU H H 1 8.805 0.030 . 1 . . . . 70 LEU H . 10251 1 797 . 1 1 70 70 LEU HA H 1 4.846 0.030 . 1 . . . . 70 LEU HA . 10251 1 798 . 1 1 70 70 LEU HB2 H 1 1.561 0.030 . 2 . . . . 70 LEU HB2 . 10251 1 799 . 1 1 70 70 LEU HB3 H 1 1.516 0.030 . 2 . . . . 70 LEU HB3 . 10251 1 800 . 1 1 70 70 LEU HD11 H 1 0.845 0.030 . 1 . . . . 70 LEU HD1 . 10251 1 801 . 1 1 70 70 LEU HD12 H 1 0.845 0.030 . 1 . . . . 70 LEU HD1 . 10251 1 802 . 1 1 70 70 LEU HD13 H 1 0.845 0.030 . 1 . . . . 70 LEU HD1 . 10251 1 803 . 1 1 70 70 LEU HD21 H 1 0.846 0.030 . 1 . . . . 70 LEU HD2 . 10251 1 804 . 1 1 70 70 LEU HD22 H 1 0.846 0.030 . 1 . . . . 70 LEU HD2 . 10251 1 805 . 1 1 70 70 LEU HD23 H 1 0.846 0.030 . 1 . . . . 70 LEU HD2 . 10251 1 806 . 1 1 70 70 LEU HG H 1 1.586 0.030 . 1 . . . . 70 LEU HG . 10251 1 807 . 1 1 70 70 LEU C C 13 175.775 0.300 . 1 . . . . 70 LEU C . 10251 1 808 . 1 1 70 70 LEU CA C 13 53.907 0.300 . 1 . . . . 70 LEU CA . 10251 1 809 . 1 1 70 70 LEU CB C 13 45.337 0.300 . 1 . . . . 70 LEU CB . 10251 1 810 . 1 1 70 70 LEU CD1 C 13 25.104 0.300 . 2 . . . . 70 LEU CD1 . 10251 1 811 . 1 1 70 70 LEU CD2 C 13 23.826 0.300 . 2 . . . . 70 LEU CD2 . 10251 1 812 . 1 1 70 70 LEU CG C 13 26.822 0.300 . 1 . . . . 70 LEU CG . 10251 1 813 . 1 1 70 70 LEU N N 15 121.265 0.300 . 1 . . . . 70 LEU N . 10251 1 814 . 1 1 71 71 VAL H H 1 8.644 0.030 . 1 . . . . 71 VAL H . 10251 1 815 . 1 1 71 71 VAL HA H 1 5.555 0.030 . 1 . . . . 71 VAL HA . 10251 1 816 . 1 1 71 71 VAL HB H 1 1.955 0.030 . 1 . . . . 71 VAL HB . 10251 1 817 . 1 1 71 71 VAL HG11 H 1 1.065 0.030 . 1 . . . . 71 VAL HG1 . 10251 1 818 . 1 1 71 71 VAL HG12 H 1 1.065 0.030 . 1 . . . . 71 VAL HG1 . 10251 1 819 . 1 1 71 71 VAL HG13 H 1 1.065 0.030 . 1 . . . . 71 VAL HG1 . 10251 1 820 . 1 1 71 71 VAL HG21 H 1 1.096 0.030 . 1 . . . . 71 VAL HG2 . 10251 1 821 . 1 1 71 71 VAL HG22 H 1 1.096 0.030 . 1 . . . . 71 VAL HG2 . 10251 1 822 . 1 1 71 71 VAL HG23 H 1 1.096 0.030 . 1 . . . . 71 VAL HG2 . 10251 1 823 . 1 1 71 71 VAL C C 13 173.636 0.300 . 1 . . . . 71 VAL C . 10251 1 824 . 1 1 71 71 VAL CA C 13 58.760 0.300 . 1 . . . . 71 VAL CA . 10251 1 825 . 1 1 71 71 VAL CB C 13 34.891 0.300 . 1 . . . . 71 VAL CB . 10251 1 826 . 1 1 71 71 VAL CG1 C 13 20.566 0.300 . 2 . . . . 71 VAL CG1 . 10251 1 827 . 1 1 71 71 VAL CG2 C 13 23.048 0.300 . 2 . . . . 71 VAL CG2 . 10251 1 828 . 1 1 71 71 VAL N N 15 122.315 0.300 . 1 . . . . 71 VAL N . 10251 1 829 . 1 1 72 72 SER H H 1 8.750 0.030 . 1 . . . . 72 SER H . 10251 1 830 . 1 1 72 72 SER HA H 1 4.742 0.030 . 1 . . . . 72 SER HA . 10251 1 831 . 1 1 72 72 SER HB2 H 1 3.785 0.030 . 2 . . . . 72 SER HB2 . 10251 1 832 . 1 1 72 72 SER HB3 H 1 3.715 0.030 . 2 . . . . 72 SER HB3 . 10251 1 833 . 1 1 72 72 SER C C 13 173.058 0.300 . 1 . . . . 72 SER C . 10251 1 834 . 1 1 72 72 SER CA C 13 57.190 0.300 . 1 . . . . 72 SER CA . 10251 1 835 . 1 1 72 72 SER CB C 13 65.612 0.300 . 1 . . . . 72 SER CB . 10251 1 836 . 1 1 72 72 SER N N 15 118.611 0.300 . 1 . . . . 72 SER N . 10251 1 837 . 1 1 73 73 ALA H H 1 9.009 0.030 . 1 . . . . 73 ALA H . 10251 1 838 . 1 1 73 73 ALA HA H 1 4.406 0.030 . 1 . . . . 73 ALA HA . 10251 1 839 . 1 1 73 73 ALA HB1 H 1 1.337 0.030 . 1 . . . . 73 ALA HB . 10251 1 840 . 1 1 73 73 ALA HB2 H 1 1.337 0.030 . 1 . . . . 73 ALA HB . 10251 1 841 . 1 1 73 73 ALA HB3 H 1 1.337 0.030 . 1 . . . . 73 ALA HB . 10251 1 842 . 1 1 73 73 ALA C C 13 176.708 0.300 . 1 . . . . 73 ALA C . 10251 1 843 . 1 1 73 73 ALA CA C 13 52.672 0.300 . 1 . . . . 73 ALA CA . 10251 1 844 . 1 1 73 73 ALA CB C 13 18.812 0.300 . 1 . . . . 73 ALA CB . 10251 1 845 . 1 1 73 73 ALA N N 15 125.694 0.300 . 1 . . . . 73 ALA N . 10251 1 846 . 1 1 74 74 LEU H H 1 7.800 0.030 . 1 . . . . 74 LEU H . 10251 1 847 . 1 1 74 74 LEU HA H 1 4.716 0.030 . 1 . . . . 74 LEU HA . 10251 1 848 . 1 1 74 74 LEU HB2 H 1 1.647 0.030 . 2 . . . . 74 LEU HB2 . 10251 1 849 . 1 1 74 74 LEU HB3 H 1 1.505 0.030 . 2 . . . . 74 LEU HB3 . 10251 1 850 . 1 1 74 74 LEU HD11 H 1 1.025 0.030 . 1 . . . . 74 LEU HD1 . 10251 1 851 . 1 1 74 74 LEU HD12 H 1 1.025 0.030 . 1 . . . . 74 LEU HD1 . 10251 1 852 . 1 1 74 74 LEU HD13 H 1 1.025 0.030 . 1 . . . . 74 LEU HD1 . 10251 1 853 . 1 1 74 74 LEU HD21 H 1 0.982 0.030 . 1 . . . . 74 LEU HD2 . 10251 1 854 . 1 1 74 74 LEU HD22 H 1 0.982 0.030 . 1 . . . . 74 LEU HD2 . 10251 1 855 . 1 1 74 74 LEU HD23 H 1 0.982 0.030 . 1 . . . . 74 LEU HD2 . 10251 1 856 . 1 1 74 74 LEU HG H 1 1.609 0.030 . 1 . . . . 74 LEU HG . 10251 1 857 . 1 1 74 74 LEU C C 13 176.551 0.300 . 1 . . . . 74 LEU C . 10251 1 858 . 1 1 74 74 LEU CA C 13 53.784 0.300 . 1 . . . . 74 LEU CA . 10251 1 859 . 1 1 74 74 LEU CB C 13 43.446 0.300 . 1 . . . . 74 LEU CB . 10251 1 860 . 1 1 74 74 LEU CD1 C 13 25.768 0.300 . 2 . . . . 74 LEU CD1 . 10251 1 861 . 1 1 74 74 LEU CD2 C 13 24.035 0.300 . 2 . . . . 74 LEU CD2 . 10251 1 862 . 1 1 74 74 LEU CG C 13 27.771 0.300 . 1 . . . . 74 LEU CG . 10251 1 863 . 1 1 74 74 LEU N N 15 122.271 0.300 . 1 . . . . 74 LEU N . 10251 1 864 . 1 1 75 75 GLU H H 1 8.855 0.030 . 1 . . . . 75 GLU H . 10251 1 865 . 1 1 75 75 GLU HA H 1 4.336 0.030 . 1 . . . . 75 GLU HA . 10251 1 866 . 1 1 75 75 GLU HB2 H 1 2.115 0.030 . 2 . . . . 75 GLU HB2 . 10251 1 867 . 1 1 75 75 GLU HB3 H 1 1.925 0.030 . 2 . . . . 75 GLU HB3 . 10251 1 868 . 1 1 75 75 GLU HG2 H 1 2.364 0.030 . 2 . . . . 75 GLU HG2 . 10251 1 869 . 1 1 75 75 GLU HG3 H 1 2.302 0.030 . 2 . . . . 75 GLU HG3 . 10251 1 870 . 1 1 75 75 GLU C C 13 176.465 0.300 . 1 . . . . 75 GLU C . 10251 1 871 . 1 1 75 75 GLU CA C 13 56.507 0.300 . 1 . . . . 75 GLU CA . 10251 1 872 . 1 1 75 75 GLU CB C 13 30.245 0.300 . 1 . . . . 75 GLU CB . 10251 1 873 . 1 1 75 75 GLU CG C 13 36.125 0.300 . 1 . . . . 75 GLU CG . 10251 1 874 . 1 1 75 75 GLU N N 15 122.678 0.300 . 1 . . . . 75 GLU N . 10251 1 875 . 1 1 76 76 ASP H H 1 8.542 0.030 . 1 . . . . 76 ASP H . 10251 1 876 . 1 1 76 76 ASP HA H 1 4.665 0.030 . 1 . . . . 76 ASP HA . 10251 1 877 . 1 1 76 76 ASP HB2 H 1 2.784 0.030 . 2 . . . . 76 ASP HB2 . 10251 1 878 . 1 1 76 76 ASP HB3 H 1 2.606 0.030 . 2 . . . . 76 ASP HB3 . 10251 1 879 . 1 1 76 76 ASP C C 13 176.087 0.300 . 1 . . . . 76 ASP C . 10251 1 880 . 1 1 76 76 ASP CA C 13 55.107 0.300 . 1 . . . . 76 ASP CA . 10251 1 881 . 1 1 76 76 ASP CB C 13 41.431 0.300 . 1 . . . . 76 ASP CB . 10251 1 882 . 1 1 76 76 ASP N N 15 121.488 0.300 . 1 . . . . 76 ASP N . 10251 1 883 . 1 1 77 77 ASN H H 1 8.322 0.030 . 1 . . . . 77 ASN H . 10251 1 884 . 1 1 77 77 ASN HA H 1 4.729 0.030 . 1 . . . . 77 ASN HA . 10251 1 885 . 1 1 77 77 ASN HB2 H 1 2.875 0.030 . 2 . . . . 77 ASN HB2 . 10251 1 886 . 1 1 77 77 ASN HB3 H 1 2.812 0.030 . 2 . . . . 77 ASN HB3 . 10251 1 887 . 1 1 77 77 ASN HD21 H 1 6.897 0.030 . 2 . . . . 77 ASN HD21 . 10251 1 888 . 1 1 77 77 ASN HD22 H 1 7.599 0.030 . 2 . . . . 77 ASN HD22 . 10251 1 889 . 1 1 77 77 ASN C C 13 175.566 0.300 . 1 . . . . 77 ASN C . 10251 1 890 . 1 1 77 77 ASN CA C 13 53.131 0.300 . 1 . . . . 77 ASN CA . 10251 1 891 . 1 1 77 77 ASN CB C 13 38.617 0.300 . 1 . . . . 77 ASN CB . 10251 1 892 . 1 1 77 77 ASN N N 15 118.676 0.300 . 1 . . . . 77 ASN N . 10251 1 893 . 1 1 77 77 ASN ND2 N 15 112.381 0.300 . 1 . . . . 77 ASN ND2 . 10251 1 894 . 1 1 78 78 GLY H H 1 8.311 0.030 . 1 . . . . 78 GLY H . 10251 1 895 . 1 1 78 78 GLY HA2 H 1 3.897 0.030 . 1 . . . . 78 GLY HA2 . 10251 1 896 . 1 1 78 78 GLY HA3 H 1 3.897 0.030 . 1 . . . . 78 GLY HA3 . 10251 1 897 . 1 1 78 78 GLY C C 13 173.376 0.300 . 1 . . . . 78 GLY C . 10251 1 898 . 1 1 78 78 GLY CA C 13 45.224 0.300 . 1 . . . . 78 GLY CA . 10251 1 899 . 1 1 78 78 GLY N N 15 108.939 0.300 . 1 . . . . 78 GLY N . 10251 1 900 . 1 1 79 79 VAL H H 1 7.882 0.030 . 1 . . . . 79 VAL H . 10251 1 901 . 1 1 79 79 VAL HA H 1 4.345 0.030 . 1 . . . . 79 VAL HA . 10251 1 902 . 1 1 79 79 VAL HB H 1 1.995 0.030 . 1 . . . . 79 VAL HB . 10251 1 903 . 1 1 79 79 VAL HG11 H 1 0.925 0.030 . 1 . . . . 79 VAL HG1 . 10251 1 904 . 1 1 79 79 VAL HG12 H 1 0.925 0.030 . 1 . . . . 79 VAL HG1 . 10251 1 905 . 1 1 79 79 VAL HG13 H 1 0.925 0.030 . 1 . . . . 79 VAL HG1 . 10251 1 906 . 1 1 79 79 VAL HG21 H 1 0.866 0.030 . 1 . . . . 79 VAL HG2 . 10251 1 907 . 1 1 79 79 VAL HG22 H 1 0.866 0.030 . 1 . . . . 79 VAL HG2 . 10251 1 908 . 1 1 79 79 VAL HG23 H 1 0.866 0.030 . 1 . . . . 79 VAL HG2 . 10251 1 909 . 1 1 79 79 VAL CA C 13 59.995 0.300 . 1 . . . . 79 VAL CA . 10251 1 910 . 1 1 79 79 VAL CB C 13 32.589 0.300 . 1 . . . . 79 VAL CB . 10251 1 911 . 1 1 79 79 VAL CG1 C 13 20.969 0.300 . 2 . . . . 79 VAL CG1 . 10251 1 912 . 1 1 79 79 VAL CG2 C 13 20.566 0.300 . 2 . . . . 79 VAL CG2 . 10251 1 913 . 1 1 79 79 VAL N N 15 121.135 0.300 . 1 . . . . 79 VAL N . 10251 1 914 . 1 1 80 80 PRO HA H 1 4.461 0.030 . 1 . . . . 80 PRO HA . 10251 1 915 . 1 1 80 80 PRO HB2 H 1 2.316 0.030 . 2 . . . . 80 PRO HB2 . 10251 1 916 . 1 1 80 80 PRO HB3 H 1 1.864 0.030 . 2 . . . . 80 PRO HB3 . 10251 1 917 . 1 1 80 80 PRO HD2 H 1 3.533 0.030 . 2 . . . . 80 PRO HD2 . 10251 1 918 . 1 1 80 80 PRO HD3 H 1 4.011 0.030 . 2 . . . . 80 PRO HD3 . 10251 1 919 . 1 1 80 80 PRO HG2 H 1 1.976 0.030 . 1 . . . . 80 PRO HG2 . 10251 1 920 . 1 1 80 80 PRO HG3 H 1 1.976 0.030 . 1 . . . . 80 PRO HG3 . 10251 1 921 . 1 1 80 80 PRO C C 13 176.979 0.300 . 1 . . . . 80 PRO C . 10251 1 922 . 1 1 80 80 PRO CA C 13 63.101 0.300 . 1 . . . . 80 PRO CA . 10251 1 923 . 1 1 80 80 PRO CB C 13 32.177 0.300 . 1 . . . . 80 PRO CB . 10251 1 924 . 1 1 80 80 PRO CD C 13 51.095 0.300 . 1 . . . . 80 PRO CD . 10251 1 925 . 1 1 80 80 PRO CG C 13 27.571 0.300 . 1 . . . . 80 PRO CG . 10251 1 926 . 1 1 81 81 THR H H 1 8.281 0.030 . 1 . . . . 81 THR H . 10251 1 927 . 1 1 81 81 THR HA H 1 4.095 0.030 . 1 . . . . 81 THR HA . 10251 1 928 . 1 1 81 81 THR HB H 1 3.966 0.030 . 1 . . . . 81 THR HB . 10251 1 929 . 1 1 81 81 THR HG21 H 1 1.026 0.030 . 1 . . . . 81 THR HG2 . 10251 1 930 . 1 1 81 81 THR HG22 H 1 1.026 0.030 . 1 . . . . 81 THR HG2 . 10251 1 931 . 1 1 81 81 THR HG23 H 1 1.026 0.030 . 1 . . . . 81 THR HG2 . 10251 1 932 . 1 1 81 81 THR C C 13 175.270 0.300 . 1 . . . . 81 THR C . 10251 1 933 . 1 1 81 81 THR CA C 13 62.872 0.300 . 1 . . . . 81 THR CA . 10251 1 934 . 1 1 81 81 THR CB C 13 69.642 0.300 . 1 . . . . 81 THR CB . 10251 1 935 . 1 1 81 81 THR CG2 C 13 21.566 0.300 . 1 . . . . 81 THR CG2 . 10251 1 936 . 1 1 81 81 THR N N 15 114.684 0.300 . 1 . . . . 81 THR N . 10251 1 937 . 1 1 82 82 GLY H H 1 8.338 0.030 . 1 . . . . 82 GLY H . 10251 1 938 . 1 1 82 82 GLY HA2 H 1 4.095 0.030 . 2 . . . . 82 GLY HA2 . 10251 1 939 . 1 1 82 82 GLY HA3 H 1 3.668 0.030 . 2 . . . . 82 GLY HA3 . 10251 1 940 . 1 1 82 82 GLY C C 13 174.139 0.300 . 1 . . . . 82 GLY C . 10251 1 941 . 1 1 82 82 GLY CA C 13 45.083 0.300 . 1 . . . . 82 GLY CA . 10251 1 942 . 1 1 82 82 GLY N N 15 111.289 0.300 . 1 . . . . 82 GLY N . 10251 1 943 . 1 1 83 83 VAL H H 1 7.668 0.030 . 1 . . . . 83 VAL H . 10251 1 944 . 1 1 83 83 VAL HA H 1 3.985 0.030 . 1 . . . . 83 VAL HA . 10251 1 945 . 1 1 83 83 VAL HB H 1 1.997 0.030 . 1 . . . . 83 VAL HB . 10251 1 946 . 1 1 83 83 VAL HG11 H 1 0.874 0.030 . 1 . . . . 83 VAL HG1 . 10251 1 947 . 1 1 83 83 VAL HG12 H 1 0.874 0.030 . 1 . . . . 83 VAL HG1 . 10251 1 948 . 1 1 83 83 VAL HG13 H 1 0.874 0.030 . 1 . . . . 83 VAL HG1 . 10251 1 949 . 1 1 83 83 VAL HG21 H 1 0.756 0.030 . 1 . . . . 83 VAL HG2 . 10251 1 950 . 1 1 83 83 VAL HG22 H 1 0.756 0.030 . 1 . . . . 83 VAL HG2 . 10251 1 951 . 1 1 83 83 VAL HG23 H 1 0.756 0.030 . 1 . . . . 83 VAL HG2 . 10251 1 952 . 1 1 83 83 VAL C C 13 176.054 0.300 . 1 . . . . 83 VAL C . 10251 1 953 . 1 1 83 83 VAL CA C 13 62.431 0.300 . 1 . . . . 83 VAL CA . 10251 1 954 . 1 1 83 83 VAL CB C 13 32.260 0.300 . 1 . . . . 83 VAL CB . 10251 1 955 . 1 1 83 83 VAL CG1 C 13 21.570 0.300 . 2 . . . . 83 VAL CG1 . 10251 1 956 . 1 1 83 83 VAL CG2 C 13 21.570 0.300 . 2 . . . . 83 VAL CG2 . 10251 1 957 . 1 1 83 83 VAL N N 15 120.003 0.300 . 1 . . . . 83 VAL N . 10251 1 958 . 1 1 84 84 LYS H H 1 8.645 0.030 . 1 . . . . 84 LYS H . 10251 1 959 . 1 1 84 84 LYS HA H 1 4.276 0.030 . 1 . . . . 84 LYS HA . 10251 1 960 . 1 1 84 84 LYS HB2 H 1 1.743 0.030 . 2 . . . . 84 LYS HB2 . 10251 1 961 . 1 1 84 84 LYS HB3 H 1 1.817 0.030 . 2 . . . . 84 LYS HB3 . 10251 1 962 . 1 1 84 84 LYS HD2 H 1 1.633 0.030 . 1 . . . . 84 LYS HD2 . 10251 1 963 . 1 1 84 84 LYS HD3 H 1 1.633 0.030 . 1 . . . . 84 LYS HD3 . 10251 1 964 . 1 1 84 84 LYS HE2 H 1 2.948 0.030 . 1 . . . . 84 LYS HE2 . 10251 1 965 . 1 1 84 84 LYS HE3 H 1 2.948 0.030 . 1 . . . . 84 LYS HE3 . 10251 1 966 . 1 1 84 84 LYS HG2 H 1 1.434 0.030 . 2 . . . . 84 LYS HG2 . 10251 1 967 . 1 1 84 84 LYS HG3 H 1 1.356 0.030 . 2 . . . . 84 LYS HG3 . 10251 1 968 . 1 1 84 84 LYS C C 13 176.832 0.300 . 1 . . . . 84 LYS C . 10251 1 969 . 1 1 84 84 LYS CA C 13 56.272 0.300 . 1 . . . . 84 LYS CA . 10251 1 970 . 1 1 84 84 LYS CB C 13 32.876 0.300 . 1 . . . . 84 LYS CB . 10251 1 971 . 1 1 84 84 LYS CD C 13 28.870 0.300 . 1 . . . . 84 LYS CD . 10251 1 972 . 1 1 84 84 LYS CE C 13 42.294 0.300 . 1 . . . . 84 LYS CE . 10251 1 973 . 1 1 84 84 LYS CG C 13 24.857 0.300 . 1 . . . . 84 LYS CG . 10251 1 974 . 1 1 84 84 LYS N N 15 126.447 0.300 . 1 . . . . 84 LYS N . 10251 1 975 . 1 1 85 85 GLY H H 1 8.410 0.030 . 1 . . . . 85 GLY H . 10251 1 976 . 1 1 85 85 GLY HA2 H 1 4.066 0.030 . 2 . . . . 85 GLY HA2 . 10251 1 977 . 1 1 85 85 GLY HA3 H 1 3.781 0.030 . 2 . . . . 85 GLY HA3 . 10251 1 978 . 1 1 85 85 GLY C C 13 173.969 0.300 . 1 . . . . 85 GLY C . 10251 1 979 . 1 1 85 85 GLY CA C 13 45.146 0.300 . 1 . . . . 85 GLY CA . 10251 1 980 . 1 1 85 85 GLY N N 15 109.957 0.300 . 1 . . . . 85 GLY N . 10251 1 981 . 1 1 86 86 ASN H H 1 8.298 0.030 . 1 . . . . 86 ASN H . 10251 1 982 . 1 1 86 86 ASN HA H 1 4.665 0.030 . 1 . . . . 86 ASN HA . 10251 1 983 . 1 1 86 86 ASN HB2 H 1 2.745 0.030 . 2 . . . . 86 ASN HB2 . 10251 1 984 . 1 1 86 86 ASN HB3 H 1 2.635 0.030 . 2 . . . . 86 ASN HB3 . 10251 1 985 . 1 1 86 86 ASN HD21 H 1 7.337 0.030 . 2 . . . . 86 ASN HD21 . 10251 1 986 . 1 1 86 86 ASN HD22 H 1 6.904 0.030 . 2 . . . . 86 ASN HD22 . 10251 1 987 . 1 1 86 86 ASN C C 13 174.987 0.300 . 1 . . . . 86 ASN C . 10251 1 988 . 1 1 86 86 ASN CA C 13 52.989 0.300 . 1 . . . . 86 ASN CA . 10251 1 989 . 1 1 86 86 ASN CB C 13 38.376 0.300 . 1 . . . . 86 ASN CB . 10251 1 990 . 1 1 86 86 ASN N N 15 118.457 0.300 . 1 . . . . 86 ASN N . 10251 1 991 . 1 1 86 86 ASN ND2 N 15 111.848 0.300 . 1 . . . . 86 ASN ND2 . 10251 1 992 . 1 1 87 87 VAL H H 1 7.660 0.030 . 1 . . . . 87 VAL H . 10251 1 993 . 1 1 87 87 VAL HA H 1 3.946 0.030 . 1 . . . . 87 VAL HA . 10251 1 994 . 1 1 87 87 VAL HB H 1 1.745 0.030 . 1 . . . . 87 VAL HB . 10251 1 995 . 1 1 87 87 VAL HG11 H 1 0.534 0.030 . 1 . . . . 87 VAL HG1 . 10251 1 996 . 1 1 87 87 VAL HG12 H 1 0.534 0.030 . 1 . . . . 87 VAL HG1 . 10251 1 997 . 1 1 87 87 VAL HG13 H 1 0.534 0.030 . 1 . . . . 87 VAL HG1 . 10251 1 998 . 1 1 87 87 VAL HG21 H 1 0.484 0.030 . 1 . . . . 87 VAL HG2 . 10251 1 999 . 1 1 87 87 VAL HG22 H 1 0.484 0.030 . 1 . . . . 87 VAL HG2 . 10251 1 1000 . 1 1 87 87 VAL HG23 H 1 0.484 0.030 . 1 . . . . 87 VAL HG2 . 10251 1 1001 . 1 1 87 87 VAL C C 13 174.902 0.300 . 1 . . . . 87 VAL C . 10251 1 1002 . 1 1 87 87 VAL CA C 13 62.307 0.300 . 1 . . . . 87 VAL CA . 10251 1 1003 . 1 1 87 87 VAL CB C 13 32.548 0.300 . 1 . . . . 87 VAL CB . 10251 1 1004 . 1 1 87 87 VAL CG1 C 13 20.210 0.300 . 2 . . . . 87 VAL CG1 . 10251 1 1005 . 1 1 87 87 VAL CG2 C 13 21.025 0.300 . 2 . . . . 87 VAL CG2 . 10251 1 1006 . 1 1 87 87 VAL N N 15 120.557 0.300 . 1 . . . . 87 VAL N . 10251 1 1007 . 1 1 88 88 GLN H H 1 8.115 0.030 . 1 . . . . 88 GLN H . 10251 1 1008 . 1 1 88 88 GLN HA H 1 4.302 0.030 . 1 . . . . 88 GLN HA . 10251 1 1009 . 1 1 88 88 GLN HB2 H 1 1.914 0.030 . 2 . . . . 88 GLN HB2 . 10251 1 1010 . 1 1 88 88 GLN HB3 H 1 1.814 0.030 . 2 . . . . 88 GLN HB3 . 10251 1 1011 . 1 1 88 88 GLN HE21 H 1 7.351 0.030 . 2 . . . . 88 GLN HE21 . 10251 1 1012 . 1 1 88 88 GLN HE22 H 1 6.622 0.030 . 2 . . . . 88 GLN HE22 . 10251 1 1013 . 1 1 88 88 GLN HG2 H 1 2.176 0.030 . 1 . . . . 88 GLN HG2 . 10251 1 1014 . 1 1 88 88 GLN HG3 H 1 2.176 0.030 . 1 . . . . 88 GLN HG3 . 10251 1 1015 . 1 1 88 88 GLN C C 13 175.637 0.300 . 1 . . . . 88 GLN C . 10251 1 1016 . 1 1 88 88 GLN CA C 13 55.336 0.300 . 1 . . . . 88 GLN CA . 10251 1 1017 . 1 1 88 88 GLN CB C 13 30.574 0.300 . 1 . . . . 88 GLN CB . 10251 1 1018 . 1 1 88 88 GLN CG C 13 33.610 0.300 . 1 . . . . 88 GLN CG . 10251 1 1019 . 1 1 88 88 GLN N N 15 122.280 0.300 . 1 . . . . 88 GLN N . 10251 1 1020 . 1 1 88 88 GLN NE2 N 15 111.661 0.300 . 1 . . . . 88 GLN NE2 . 10251 1 1021 . 1 1 89 89 GLY H H 1 8.544 0.030 . 1 . . . . 89 GLY H . 10251 1 1022 . 1 1 89 89 GLY HA2 H 1 3.885 0.030 . 1 . . . . 89 GLY HA2 . 10251 1 1023 . 1 1 89 89 GLY HA3 H 1 3.885 0.030 . 1 . . . . 89 GLY HA3 . 10251 1 1024 . 1 1 89 89 GLY C C 13 172.861 0.300 . 1 . . . . 89 GLY C . 10251 1 1025 . 1 1 89 89 GLY CA C 13 44.889 0.300 . 1 . . . . 89 GLY CA . 10251 1 1026 . 1 1 89 89 GLY N N 15 110.135 0.300 . 1 . . . . 89 GLY N . 10251 1 1027 . 1 1 90 90 ASN H H 1 8.451 0.030 . 1 . . . . 90 ASN H . 10251 1 1028 . 1 1 90 90 ASN HA H 1 4.222 0.030 . 1 . . . . 90 ASN HA . 10251 1 1029 . 1 1 90 90 ASN HB2 H 1 2.981 0.030 . 2 . . . . 90 ASN HB2 . 10251 1 1030 . 1 1 90 90 ASN HB3 H 1 2.321 0.030 . 2 . . . . 90 ASN HB3 . 10251 1 1031 . 1 1 90 90 ASN HD21 H 1 7.184 0.030 . 2 . . . . 90 ASN HD21 . 10251 1 1032 . 1 1 90 90 ASN HD22 H 1 6.604 0.030 . 2 . . . . 90 ASN HD22 . 10251 1 1033 . 1 1 90 90 ASN C C 13 174.926 0.300 . 1 . . . . 90 ASN C . 10251 1 1034 . 1 1 90 90 ASN CA C 13 54.613 0.300 . 1 . . . . 90 ASN CA . 10251 1 1035 . 1 1 90 90 ASN CB C 13 37.852 0.300 . 1 . . . . 90 ASN CB . 10251 1 1036 . 1 1 90 90 ASN N N 15 114.322 0.300 . 1 . . . . 90 ASN N . 10251 1 1037 . 1 1 90 90 ASN ND2 N 15 112.635 0.300 . 1 . . . . 90 ASN ND2 . 10251 1 1038 . 1 1 91 91 LEU H H 1 8.933 0.030 . 1 . . . . 91 LEU H . 10251 1 1039 . 1 1 91 91 LEU HA H 1 5.367 0.030 . 1 . . . . 91 LEU HA . 10251 1 1040 . 1 1 91 91 LEU HB2 H 1 1.975 0.030 . 2 . . . . 91 LEU HB2 . 10251 1 1041 . 1 1 91 91 LEU HB3 H 1 1.465 0.030 . 2 . . . . 91 LEU HB3 . 10251 1 1042 . 1 1 91 91 LEU HD11 H 1 0.872 0.030 . 1 . . . . 91 LEU HD1 . 10251 1 1043 . 1 1 91 91 LEU HD12 H 1 0.872 0.030 . 1 . . . . 91 LEU HD1 . 10251 1 1044 . 1 1 91 91 LEU HD13 H 1 0.872 0.030 . 1 . . . . 91 LEU HD1 . 10251 1 1045 . 1 1 91 91 LEU HD21 H 1 0.714 0.030 . 1 . . . . 91 LEU HD2 . 10251 1 1046 . 1 1 91 91 LEU HD22 H 1 0.714 0.030 . 1 . . . . 91 LEU HD2 . 10251 1 1047 . 1 1 91 91 LEU HD23 H 1 0.714 0.030 . 1 . . . . 91 LEU HD2 . 10251 1 1048 . 1 1 91 91 LEU HG H 1 1.586 0.030 . 1 . . . . 91 LEU HG . 10251 1 1049 . 1 1 91 91 LEU C C 13 178.732 0.300 . 1 . . . . 91 LEU C . 10251 1 1050 . 1 1 91 91 LEU CA C 13 55.160 0.300 . 1 . . . . 91 LEU CA . 10251 1 1051 . 1 1 91 91 LEU CB C 13 45.461 0.300 . 1 . . . . 91 LEU CB . 10251 1 1052 . 1 1 91 91 LEU CD1 C 13 26.004 0.300 . 2 . . . . 91 LEU CD1 . 10251 1 1053 . 1 1 91 91 LEU CD2 C 13 25.486 0.300 . 2 . . . . 91 LEU CD2 . 10251 1 1054 . 1 1 91 91 LEU CG C 13 27.865 0.300 . 1 . . . . 91 LEU CG . 10251 1 1055 . 1 1 91 91 LEU N N 15 120.057 0.300 . 1 . . . . 91 LEU N . 10251 1 1056 . 1 1 92 92 PHE H H 1 9.901 0.030 . 1 . . . . 92 PHE H . 10251 1 1057 . 1 1 92 92 PHE HA H 1 5.105 0.030 . 1 . . . . 92 PHE HA . 10251 1 1058 . 1 1 92 92 PHE HB2 H 1 3.072 0.030 . 2 . . . . 92 PHE HB2 . 10251 1 1059 . 1 1 92 92 PHE HB3 H 1 2.904 0.030 . 2 . . . . 92 PHE HB3 . 10251 1 1060 . 1 1 92 92 PHE HD1 H 1 6.875 0.030 . 1 . . . . 92 PHE HD1 . 10251 1 1061 . 1 1 92 92 PHE HD2 H 1 6.875 0.030 . 1 . . . . 92 PHE HD2 . 10251 1 1062 . 1 1 92 92 PHE HE1 H 1 6.686 0.030 . 1 . . . . 92 PHE HE1 . 10251 1 1063 . 1 1 92 92 PHE HE2 H 1 6.686 0.030 . 1 . . . . 92 PHE HE2 . 10251 1 1064 . 1 1 92 92 PHE HZ H 1 6.418 0.030 . 1 . . . . 92 PHE HZ . 10251 1 1065 . 1 1 92 92 PHE C C 13 170.140 0.300 . 1 . . . . 92 PHE C . 10251 1 1066 . 1 1 92 92 PHE CA C 13 56.236 0.300 . 1 . . . . 92 PHE CA . 10251 1 1067 . 1 1 92 92 PHE CB C 13 42.664 0.300 . 1 . . . . 92 PHE CB . 10251 1 1068 . 1 1 92 92 PHE CD1 C 13 132.787 0.300 . 1 . . . . 92 PHE CD1 . 10251 1 1069 . 1 1 92 92 PHE CD2 C 13 132.787 0.300 . 1 . . . . 92 PHE CD2 . 10251 1 1070 . 1 1 92 92 PHE CE1 C 13 129.757 0.300 . 1 . . . . 92 PHE CE1 . 10251 1 1071 . 1 1 92 92 PHE CE2 C 13 129.757 0.300 . 1 . . . . 92 PHE CE2 . 10251 1 1072 . 1 1 92 92 PHE CZ C 13 129.209 0.300 . 1 . . . . 92 PHE CZ . 10251 1 1073 . 1 1 92 92 PHE N N 15 119.740 0.300 . 1 . . . . 92 PHE N . 10251 1 1074 . 1 1 93 93 LYS H H 1 9.154 0.030 . 1 . . . . 93 LYS H . 10251 1 1075 . 1 1 93 93 LYS HA H 1 5.584 0.030 . 1 . . . . 93 LYS HA . 10251 1 1076 . 1 1 93 93 LYS HB2 H 1 1.423 0.030 . 2 . . . . 93 LYS HB2 . 10251 1 1077 . 1 1 93 93 LYS HB3 H 1 1.256 0.030 . 2 . . . . 93 LYS HB3 . 10251 1 1078 . 1 1 93 93 LYS HD2 H 1 1.514 0.030 . 2 . . . . 93 LYS HD2 . 10251 1 1079 . 1 1 93 93 LYS HD3 H 1 1.473 0.030 . 2 . . . . 93 LYS HD3 . 10251 1 1080 . 1 1 93 93 LYS HE2 H 1 2.578 0.030 . 2 . . . . 93 LYS HE2 . 10251 1 1081 . 1 1 93 93 LYS HG2 H 1 1.126 0.030 . 2 . . . . 93 LYS HG2 . 10251 1 1082 . 1 1 93 93 LYS HG3 H 1 0.950 0.030 . 2 . . . . 93 LYS HG3 . 10251 1 1083 . 1 1 93 93 LYS C C 13 174.830 0.300 . 1 . . . . 93 LYS C . 10251 1 1084 . 1 1 93 93 LYS CA C 13 53.148 0.300 . 1 . . . . 93 LYS CA . 10251 1 1085 . 1 1 93 93 LYS CB C 13 36.660 0.300 . 1 . . . . 93 LYS CB . 10251 1 1086 . 1 1 93 93 LYS CD C 13 30.157 0.300 . 1 . . . . 93 LYS CD . 10251 1 1087 . 1 1 93 93 LYS CE C 13 41.883 0.300 . 1 . . . . 93 LYS CE . 10251 1 1088 . 1 1 93 93 LYS CG C 13 23.870 0.300 . 1 . . . . 93 LYS CG . 10251 1 1089 . 1 1 93 93 LYS N N 15 117.710 0.300 . 1 . . . . 93 LYS N . 10251 1 1090 . 1 1 94 94 VAL H H 1 8.507 0.030 . 1 . . . . 94 VAL H . 10251 1 1091 . 1 1 94 94 VAL HA H 1 4.872 0.030 . 1 . . . . 94 VAL HA . 10251 1 1092 . 1 1 94 94 VAL HB H 1 1.784 0.030 . 1 . . . . 94 VAL HB . 10251 1 1093 . 1 1 94 94 VAL HG11 H 1 0.876 0.030 . 1 . . . . 94 VAL HG1 . 10251 1 1094 . 1 1 94 94 VAL HG12 H 1 0.876 0.030 . 1 . . . . 94 VAL HG1 . 10251 1 1095 . 1 1 94 94 VAL HG13 H 1 0.876 0.030 . 1 . . . . 94 VAL HG1 . 10251 1 1096 . 1 1 94 94 VAL HG21 H 1 0.954 0.030 . 1 . . . . 94 VAL HG2 . 10251 1 1097 . 1 1 94 94 VAL HG22 H 1 0.954 0.030 . 1 . . . . 94 VAL HG2 . 10251 1 1098 . 1 1 94 94 VAL HG23 H 1 0.954 0.030 . 1 . . . . 94 VAL HG2 . 10251 1 1099 . 1 1 94 94 VAL C C 13 174.408 0.300 . 1 . . . . 94 VAL C . 10251 1 1100 . 1 1 94 94 VAL CA C 13 60.525 0.300 . 1 . . . . 94 VAL CA . 10251 1 1101 . 1 1 94 94 VAL CB C 13 34.862 0.300 . 1 . . . . 94 VAL CB . 10251 1 1102 . 1 1 94 94 VAL CG1 C 13 21.569 0.300 . 2 . . . . 94 VAL CG1 . 10251 1 1103 . 1 1 94 94 VAL CG2 C 13 21.316 0.300 . 2 . . . . 94 VAL CG2 . 10251 1 1104 . 1 1 94 94 VAL N N 15 121.741 0.300 . 1 . . . . 94 VAL N . 10251 1 1105 . 1 1 95 95 ILE H H 1 8.959 0.030 . 1 . . . . 95 ILE H . 10251 1 1106 . 1 1 95 95 ILE HA H 1 4.794 0.030 . 1 . . . . 95 ILE HA . 10251 1 1107 . 1 1 95 95 ILE HB H 1 1.500 0.030 . 1 . . . . 95 ILE HB . 10251 1 1108 . 1 1 95 95 ILE HD11 H 1 0.556 0.030 . 1 . . . . 95 ILE HD1 . 10251 1 1109 . 1 1 95 95 ILE HD12 H 1 0.556 0.030 . 1 . . . . 95 ILE HD1 . 10251 1 1110 . 1 1 95 95 ILE HD13 H 1 0.556 0.030 . 1 . . . . 95 ILE HD1 . 10251 1 1111 . 1 1 95 95 ILE HG12 H 1 -0.161 0.030 . 2 . . . . 95 ILE HG12 . 10251 1 1112 . 1 1 95 95 ILE HG13 H 1 1.086 0.030 . 2 . . . . 95 ILE HG13 . 10251 1 1113 . 1 1 95 95 ILE HG21 H 1 0.684 0.030 . 1 . . . . 95 ILE HG2 . 10251 1 1114 . 1 1 95 95 ILE HG22 H 1 0.684 0.030 . 1 . . . . 95 ILE HG2 . 10251 1 1115 . 1 1 95 95 ILE HG23 H 1 0.684 0.030 . 1 . . . . 95 ILE HG2 . 10251 1 1116 . 1 1 95 95 ILE C C 13 177.642 0.300 . 1 . . . . 95 ILE C . 10251 1 1117 . 1 1 95 95 ILE CA C 13 59.713 0.300 . 1 . . . . 95 ILE CA . 10251 1 1118 . 1 1 95 95 ILE CB C 13 40.032 0.300 . 1 . . . . 95 ILE CB . 10251 1 1119 . 1 1 95 95 ILE CD1 C 13 14.503 0.300 . 1 . . . . 95 ILE CD1 . 10251 1 1120 . 1 1 95 95 ILE CG1 C 13 26.550 0.300 . 1 . . . . 95 ILE CG1 . 10251 1 1121 . 1 1 95 95 ILE CG2 C 13 17.126 0.300 . 1 . . . . 95 ILE CG2 . 10251 1 1122 . 1 1 95 95 ILE N N 15 126.794 0.300 . 1 . . . . 95 ILE N . 10251 1 1123 . 1 1 96 96 THR H H 1 8.765 0.030 . 1 . . . . 96 THR H . 10251 1 1124 . 1 1 96 96 THR HA H 1 4.584 0.030 . 1 . . . . 96 THR HA . 10251 1 1125 . 1 1 96 96 THR HB H 1 4.600 0.030 . 1 . . . . 96 THR HB . 10251 1 1126 . 1 1 96 96 THR HG21 H 1 0.922 0.030 . 1 . . . . 96 THR HG2 . 10251 1 1127 . 1 1 96 96 THR HG22 H 1 0.922 0.030 . 1 . . . . 96 THR HG2 . 10251 1 1128 . 1 1 96 96 THR HG23 H 1 0.922 0.030 . 1 . . . . 96 THR HG2 . 10251 1 1129 . 1 1 96 96 THR C C 13 177.023 0.300 . 1 . . . . 96 THR C . 10251 1 1130 . 1 1 96 96 THR CA C 13 61.372 0.300 . 1 . . . . 96 THR CA . 10251 1 1131 . 1 1 96 96 THR CB C 13 70.794 0.300 . 1 . . . . 96 THR CB . 10251 1 1132 . 1 1 96 96 THR CG2 C 13 23.130 0.300 . 1 . . . . 96 THR CG2 . 10251 1 1133 . 1 1 96 96 THR N N 15 117.225 0.300 . 1 . . . . 96 THR N . 10251 1 1134 . 1 1 97 97 LYS H H 1 8.736 0.030 . 1 . . . . 97 LYS H . 10251 1 1135 . 1 1 97 97 LYS HA H 1 4.101 0.030 . 1 . . . . 97 LYS HA . 10251 1 1136 . 1 1 97 97 LYS HB2 H 1 1.998 0.030 . 2 . . . . 97 LYS HB2 . 10251 1 1137 . 1 1 97 97 LYS HB3 H 1 1.878 0.030 . 2 . . . . 97 LYS HB3 . 10251 1 1138 . 1 1 97 97 LYS HD2 H 1 1.695 0.030 . 1 . . . . 97 LYS HD2 . 10251 1 1139 . 1 1 97 97 LYS HD3 H 1 1.695 0.030 . 1 . . . . 97 LYS HD3 . 10251 1 1140 . 1 1 97 97 LYS HE2 H 1 3.038 0.030 . 1 . . . . 97 LYS HE2 . 10251 1 1141 . 1 1 97 97 LYS HE3 H 1 3.038 0.030 . 1 . . . . 97 LYS HE3 . 10251 1 1142 . 1 1 97 97 LYS HG2 H 1 1.535 0.030 . 2 . . . . 97 LYS HG2 . 10251 1 1143 . 1 1 97 97 LYS HG3 H 1 1.455 0.030 . 2 . . . . 97 LYS HG3 . 10251 1 1144 . 1 1 97 97 LYS C C 13 176.490 0.300 . 1 . . . . 97 LYS C . 10251 1 1145 . 1 1 97 97 LYS CA C 13 58.583 0.300 . 1 . . . . 97 LYS CA . 10251 1 1146 . 1 1 97 97 LYS CB C 13 31.848 0.300 . 1 . . . . 97 LYS CB . 10251 1 1147 . 1 1 97 97 LYS CD C 13 29.099 0.300 . 1 . . . . 97 LYS CD . 10251 1 1148 . 1 1 97 97 LYS CE C 13 42.212 0.300 . 1 . . . . 97 LYS CE . 10251 1 1149 . 1 1 97 97 LYS CG C 13 24.199 0.300 . 1 . . . . 97 LYS CG . 10251 1 1150 . 1 1 97 97 LYS N N 15 120.457 0.300 . 1 . . . . 97 LYS N . 10251 1 1151 . 1 1 98 98 ASP H H 1 7.762 0.030 . 1 . . . . 98 ASP H . 10251 1 1152 . 1 1 98 98 ASP HA H 1 4.633 0.030 . 1 . . . . 98 ASP HA . 10251 1 1153 . 1 1 98 98 ASP HB2 H 1 2.833 0.030 . 2 . . . . 98 ASP HB2 . 10251 1 1154 . 1 1 98 98 ASP HB3 H 1 2.644 0.030 . 2 . . . . 98 ASP HB3 . 10251 1 1155 . 1 1 98 98 ASP C C 13 175.270 0.300 . 1 . . . . 98 ASP C . 10251 1 1156 . 1 1 98 98 ASP CA C 13 53.272 0.300 . 1 . . . . 98 ASP CA . 10251 1 1157 . 1 1 98 98 ASP CB C 13 39.909 0.300 . 1 . . . . 98 ASP CB . 10251 1 1158 . 1 1 98 98 ASP N N 15 116.281 0.300 . 1 . . . . 98 ASP N . 10251 1 1159 . 1 1 99 99 ASP H H 1 8.340 0.030 . 1 . . . . 99 ASP H . 10251 1 1160 . 1 1 99 99 ASP HA H 1 4.245 0.030 . 1 . . . . 99 ASP HA . 10251 1 1161 . 1 1 99 99 ASP HB2 H 1 3.124 0.030 . 2 . . . . 99 ASP HB2 . 10251 1 1162 . 1 1 99 99 ASP HB3 H 1 2.517 0.030 . 2 . . . . 99 ASP HB3 . 10251 1 1163 . 1 1 99 99 ASP C C 13 175.315 0.300 . 1 . . . . 99 ASP C . 10251 1 1164 . 1 1 99 99 ASP CA C 13 55.989 0.300 . 1 . . . . 99 ASP CA . 10251 1 1165 . 1 1 99 99 ASP CB C 13 39.827 0.300 . 1 . . . . 99 ASP CB . 10251 1 1166 . 1 1 99 99 ASP N N 15 116.687 0.300 . 1 . . . . 99 ASP N . 10251 1 1167 . 1 1 100 100 THR H H 1 7.511 0.030 . 1 . . . . 100 THR H . 10251 1 1168 . 1 1 100 100 THR HA H 1 4.185 0.030 . 1 . . . . 100 THR HA . 10251 1 1169 . 1 1 100 100 THR HB H 1 3.986 0.030 . 1 . . . . 100 THR HB . 10251 1 1170 . 1 1 100 100 THR HG21 H 1 0.694 0.030 . 1 . . . . 100 THR HG2 . 10251 1 1171 . 1 1 100 100 THR HG22 H 1 0.694 0.030 . 1 . . . . 100 THR HG2 . 10251 1 1172 . 1 1 100 100 THR HG23 H 1 0.694 0.030 . 1 . . . . 100 THR HG2 . 10251 1 1173 . 1 1 100 100 THR C C 13 173.376 0.300 . 1 . . . . 100 THR C . 10251 1 1174 . 1 1 100 100 THR CA C 13 63.489 0.300 . 1 . . . . 100 THR CA . 10251 1 1175 . 1 1 100 100 THR CB C 13 67.909 0.300 . 1 . . . . 100 THR CB . 10251 1 1176 . 1 1 100 100 THR CG2 C 13 21.819 0.300 . 1 . . . . 100 THR CG2 . 10251 1 1177 . 1 1 100 100 THR N N 15 116.525 0.300 . 1 . . . . 100 THR N . 10251 1 1178 . 1 1 101 101 HIS H H 1 8.753 0.030 . 1 . . . . 101 HIS H . 10251 1 1179 . 1 1 101 101 HIS HA H 1 4.898 0.030 . 1 . . . . 101 HIS HA . 10251 1 1180 . 1 1 101 101 HIS HB2 H 1 3.035 0.030 . 2 . . . . 101 HIS HB2 . 10251 1 1181 . 1 1 101 101 HIS HB3 H 1 2.295 0.030 . 2 . . . . 101 HIS HB3 . 10251 1 1182 . 1 1 101 101 HIS HD2 H 1 6.756 0.030 . 1 . . . . 101 HIS HD2 . 10251 1 1183 . 1 1 101 101 HIS HE1 H 1 7.687 0.030 . 1 . . . . 101 HIS HE1 . 10251 1 1184 . 1 1 101 101 HIS C C 13 174.345 0.300 . 1 . . . . 101 HIS C . 10251 1 1185 . 1 1 101 101 HIS CA C 13 55.072 0.300 . 1 . . . . 101 HIS CA . 10251 1 1186 . 1 1 101 101 HIS CB C 13 32.835 0.300 . 1 . . . . 101 HIS CB . 10251 1 1187 . 1 1 101 101 HIS CD2 C 13 119.046 0.300 . 1 . . . . 101 HIS CD2 . 10251 1 1188 . 1 1 101 101 HIS CE1 C 13 137.746 0.300 . 1 . . . . 101 HIS CE1 . 10251 1 1189 . 1 1 101 101 HIS N N 15 125.953 0.300 . 1 . . . . 101 HIS N . 10251 1 1190 . 1 1 102 102 TYR H H 1 9.023 0.030 . 1 . . . . 102 TYR H . 10251 1 1191 . 1 1 102 102 TYR HA H 1 4.545 0.030 . 1 . . . . 102 TYR HA . 10251 1 1192 . 1 1 102 102 TYR HB2 H 1 2.624 0.030 . 2 . . . . 102 TYR HB2 . 10251 1 1193 . 1 1 102 102 TYR HB3 H 1 2.418 0.030 . 2 . . . . 102 TYR HB3 . 10251 1 1194 . 1 1 102 102 TYR HD1 H 1 6.556 0.030 . 1 . . . . 102 TYR HD1 . 10251 1 1195 . 1 1 102 102 TYR HD2 H 1 6.556 0.030 . 1 . . . . 102 TYR HD2 . 10251 1 1196 . 1 1 102 102 TYR HE1 H 1 6.394 0.030 . 1 . . . . 102 TYR HE1 . 10251 1 1197 . 1 1 102 102 TYR HE2 H 1 6.394 0.030 . 1 . . . . 102 TYR HE2 . 10251 1 1198 . 1 1 102 102 TYR C C 13 174.126 0.300 . 1 . . . . 102 TYR C . 10251 1 1199 . 1 1 102 102 TYR CA C 13 57.260 0.300 . 1 . . . . 102 TYR CA . 10251 1 1200 . 1 1 102 102 TYR CB C 13 40.381 0.300 . 1 . . . . 102 TYR CB . 10251 1 1201 . 1 1 102 102 TYR CD1 C 13 132.223 0.300 . 1 . . . . 102 TYR CD1 . 10251 1 1202 . 1 1 102 102 TYR CD2 C 13 132.223 0.300 . 1 . . . . 102 TYR CD2 . 10251 1 1203 . 1 1 102 102 TYR CE1 C 13 118.212 0.300 . 1 . . . . 102 TYR CE1 . 10251 1 1204 . 1 1 102 102 TYR CE2 C 13 118.212 0.300 . 1 . . . . 102 TYR CE2 . 10251 1 1205 . 1 1 102 102 TYR N N 15 121.975 0.300 . 1 . . . . 102 TYR N . 10251 1 1206 . 1 1 103 103 TYR H H 1 8.899 0.030 . 1 . . . . 103 TYR H . 10251 1 1207 . 1 1 103 103 TYR HA H 1 4.729 0.030 . 1 . . . . 103 TYR HA . 10251 1 1208 . 1 1 103 103 TYR HB2 H 1 2.690 0.030 . 2 . . . . 103 TYR HB2 . 10251 1 1209 . 1 1 103 103 TYR HB3 H 1 2.651 0.030 . 2 . . . . 103 TYR HB3 . 10251 1 1210 . 1 1 103 103 TYR HD1 H 1 6.908 0.030 . 1 . . . . 103 TYR HD1 . 10251 1 1211 . 1 1 103 103 TYR HD2 H 1 6.908 0.030 . 1 . . . . 103 TYR HD2 . 10251 1 1212 . 1 1 103 103 TYR HE1 H 1 6.747 0.030 . 1 . . . . 103 TYR HE1 . 10251 1 1213 . 1 1 103 103 TYR HE2 H 1 6.747 0.030 . 1 . . . . 103 TYR HE2 . 10251 1 1214 . 1 1 103 103 TYR C C 13 174.139 0.300 . 1 . . . . 103 TYR C . 10251 1 1215 . 1 1 103 103 TYR CA C 13 58.036 0.300 . 1 . . . . 103 TYR CA . 10251 1 1216 . 1 1 103 103 TYR CB C 13 40.485 0.300 . 1 . . . . 103 TYR CB . 10251 1 1217 . 1 1 103 103 TYR CD1 C 13 133.082 0.300 . 1 . . . . 103 TYR CD1 . 10251 1 1218 . 1 1 103 103 TYR CD2 C 13 133.082 0.300 . 1 . . . . 103 TYR CD2 . 10251 1 1219 . 1 1 103 103 TYR CE1 C 13 118.028 0.300 . 1 . . . . 103 TYR CE1 . 10251 1 1220 . 1 1 103 103 TYR CE2 C 13 118.028 0.300 . 1 . . . . 103 TYR CE2 . 10251 1 1221 . 1 1 103 103 TYR N N 15 122.012 0.300 . 1 . . . . 103 TYR N . 10251 1 1222 . 1 1 104 104 ILE H H 1 8.605 0.030 . 1 . . . . 104 ILE H . 10251 1 1223 . 1 1 104 104 ILE HA H 1 4.859 0.030 . 1 . . . . 104 ILE HA . 10251 1 1224 . 1 1 104 104 ILE HB H 1 -0.249 0.030 . 1 . . . . 104 ILE HB . 10251 1 1225 . 1 1 104 104 ILE HD11 H 1 0.205 0.030 . 1 . . . . 104 ILE HD1 . 10251 1 1226 . 1 1 104 104 ILE HD12 H 1 0.205 0.030 . 1 . . . . 104 ILE HD1 . 10251 1 1227 . 1 1 104 104 ILE HD13 H 1 0.205 0.030 . 1 . . . . 104 ILE HD1 . 10251 1 1228 . 1 1 104 104 ILE HG12 H 1 0.982 0.030 . 2 . . . . 104 ILE HG12 . 10251 1 1229 . 1 1 104 104 ILE HG13 H 1 0.440 0.030 . 2 . . . . 104 ILE HG13 . 10251 1 1230 . 1 1 104 104 ILE HG21 H 1 0.031 0.030 . 1 . . . . 104 ILE HG2 . 10251 1 1231 . 1 1 104 104 ILE HG22 H 1 0.031 0.030 . 1 . . . . 104 ILE HG2 . 10251 1 1232 . 1 1 104 104 ILE HG23 H 1 0.031 0.030 . 1 . . . . 104 ILE HG2 . 10251 1 1233 . 1 1 104 104 ILE C C 13 172.769 0.300 . 1 . . . . 104 ILE C . 10251 1 1234 . 1 1 104 104 ILE CA C 13 59.554 0.300 . 1 . . . . 104 ILE CA . 10251 1 1235 . 1 1 104 104 ILE CB C 13 40.631 0.300 . 1 . . . . 104 ILE CB . 10251 1 1236 . 1 1 104 104 ILE CD1 C 13 12.913 0.300 . 1 . . . . 104 ILE CD1 . 10251 1 1237 . 1 1 104 104 ILE CG1 C 13 27.366 0.300 . 1 . . . . 104 ILE CG1 . 10251 1 1238 . 1 1 104 104 ILE CG2 C 13 21.567 0.300 . 1 . . . . 104 ILE CG2 . 10251 1 1239 . 1 1 104 104 ILE N N 15 123.443 0.300 . 1 . . . . 104 ILE N . 10251 1 1240 . 1 1 105 105 GLN H H 1 9.369 0.030 . 1 . . . . 105 GLN H . 10251 1 1241 . 1 1 105 105 GLN HA H 1 4.895 0.030 . 1 . . . . 105 GLN HA . 10251 1 1242 . 1 1 105 105 GLN HB2 H 1 1.884 0.030 . 2 . . . . 105 GLN HB2 . 10251 1 1243 . 1 1 105 105 GLN HB3 H 1 1.204 0.030 . 2 . . . . 105 GLN HB3 . 10251 1 1244 . 1 1 105 105 GLN HE21 H 1 6.226 0.030 . 2 . . . . 105 GLN HE21 . 10251 1 1245 . 1 1 105 105 GLN HE22 H 1 7.205 0.030 . 2 . . . . 105 GLN HE22 . 10251 1 1246 . 1 1 105 105 GLN HG2 H 1 2.296 0.030 . 2 . . . . 105 GLN HG2 . 10251 1 1247 . 1 1 105 105 GLN HG3 H 1 2.205 0.030 . 2 . . . . 105 GLN HG3 . 10251 1 1248 . 1 1 105 105 GLN C C 13 175.642 0.300 . 1 . . . . 105 GLN C . 10251 1 1249 . 1 1 105 105 GLN CA C 13 54.965 0.300 . 1 . . . . 105 GLN CA . 10251 1 1250 . 1 1 105 105 GLN CB C 13 32.856 0.300 . 1 . . . . 105 GLN CB . 10251 1 1251 . 1 1 105 105 GLN CG C 13 33.987 0.300 . 1 . . . . 105 GLN CG . 10251 1 1252 . 1 1 105 105 GLN N N 15 125.079 0.300 . 1 . . . . 105 GLN N . 10251 1 1253 . 1 1 105 105 GLN NE2 N 15 111.670 0.300 . 1 . . . . 105 GLN NE2 . 10251 1 1254 . 1 1 106 106 ALA H H 1 8.513 0.030 . 1 . . . . 106 ALA H . 10251 1 1255 . 1 1 106 106 ALA HA H 1 4.962 0.030 . 1 . . . . 106 ALA HA . 10251 1 1256 . 1 1 106 106 ALA HB1 H 1 1.716 0.030 . 1 . . . . 106 ALA HB . 10251 1 1257 . 1 1 106 106 ALA HB2 H 1 1.716 0.030 . 1 . . . . 106 ALA HB . 10251 1 1258 . 1 1 106 106 ALA HB3 H 1 1.716 0.030 . 1 . . . . 106 ALA HB . 10251 1 1259 . 1 1 106 106 ALA C C 13 175.854 0.300 . 1 . . . . 106 ALA C . 10251 1 1260 . 1 1 106 106 ALA CA C 13 50.272 0.300 . 1 . . . . 106 ALA CA . 10251 1 1261 . 1 1 106 106 ALA CB C 13 21.197 0.300 . 1 . . . . 106 ALA CB . 10251 1 1262 . 1 1 106 106 ALA N N 15 129.303 0.300 . 1 . . . . 106 ALA N . 10251 1 1263 . 1 1 107 107 SER H H 1 9.468 0.030 . 1 . . . . 107 SER H . 10251 1 1264 . 1 1 107 107 SER HA H 1 4.447 0.030 . 1 . . . . 107 SER HA . 10251 1 1265 . 1 1 107 107 SER HB2 H 1 4.107 0.030 . 2 . . . . 107 SER HB2 . 10251 1 1266 . 1 1 107 107 SER HB3 H 1 4.003 0.030 . 2 . . . . 107 SER HB3 . 10251 1 1267 . 1 1 107 107 SER C C 13 173.785 0.300 . 1 . . . . 107 SER C . 10251 1 1268 . 1 1 107 107 SER CA C 13 60.048 0.300 . 1 . . . . 107 SER CA . 10251 1 1269 . 1 1 107 107 SER CB C 13 64.643 0.300 . 1 . . . . 107 SER CB . 10251 1 1270 . 1 1 107 107 SER N N 15 112.962 0.300 . 1 . . . . 107 SER N . 10251 1 1271 . 1 1 108 108 SER H H 1 7.555 0.030 . 1 . . . . 108 SER H . 10251 1 1272 . 1 1 108 108 SER HA H 1 4.665 0.030 . 1 . . . . 108 SER HA . 10251 1 1273 . 1 1 108 108 SER HB2 H 1 4.251 0.030 . 2 . . . . 108 SER HB2 . 10251 1 1274 . 1 1 108 108 SER HB3 H 1 4.088 0.030 . 2 . . . . 108 SER HB3 . 10251 1 1275 . 1 1 108 108 SER C C 13 174.381 0.300 . 1 . . . . 108 SER C . 10251 1 1276 . 1 1 108 108 SER CA C 13 56.907 0.300 . 1 . . . . 108 SER CA . 10251 1 1277 . 1 1 108 108 SER CB C 13 66.370 0.300 . 1 . . . . 108 SER CB . 10251 1 1278 . 1 1 108 108 SER N N 15 112.243 0.300 . 1 . . . . 108 SER N . 10251 1 1279 . 1 1 109 109 LYS H H 1 8.978 0.030 . 1 . . . . 109 LYS H . 10251 1 1280 . 1 1 109 109 LYS HA H 1 4.777 0.030 . 1 . . . . 109 LYS HA . 10251 1 1281 . 1 1 109 109 LYS HB2 H 1 1.901 0.030 . 1 . . . . 109 LYS HB2 . 10251 1 1282 . 1 1 109 109 LYS HB3 H 1 1.901 0.030 . 1 . . . . 109 LYS HB3 . 10251 1 1283 . 1 1 109 109 LYS HE2 H 1 3.049 0.030 . 1 . . . . 109 LYS HE2 . 10251 1 1284 . 1 1 109 109 LYS HE3 H 1 3.049 0.030 . 1 . . . . 109 LYS HE3 . 10251 1 1285 . 1 1 109 109 LYS HG2 H 1 1.697 0.030 . 2 . . . . 109 LYS HG2 . 10251 1 1286 . 1 1 109 109 LYS HG3 H 1 1.491 0.030 . 2 . . . . 109 LYS HG3 . 10251 1 1287 . 1 1 109 109 LYS C C 13 179.992 0.300 . 1 . . . . 109 LYS C . 10251 1 1288 . 1 1 109 109 LYS CA C 13 59.766 0.300 . 1 . . . . 109 LYS CA . 10251 1 1289 . 1 1 109 109 LYS CB C 13 32.342 0.300 . 1 . . . . 109 LYS CB . 10251 1 1290 . 1 1 109 109 LYS CD C 13 29.299 0.300 . 1 . . . . 109 LYS CD . 10251 1 1291 . 1 1 109 109 LYS CE C 13 42.130 0.300 . 1 . . . . 109 LYS CE . 10251 1 1292 . 1 1 109 109 LYS CG C 13 25.597 0.300 . 1 . . . . 109 LYS CG . 10251 1 1293 . 1 1 109 109 LYS N N 15 123.170 0.300 . 1 . . . . 109 LYS N . 10251 1 1294 . 1 1 110 110 ALA H H 1 8.608 0.030 . 1 . . . . 110 ALA H . 10251 1 1295 . 1 1 110 110 ALA HA H 1 4.178 0.030 . 1 . . . . 110 ALA HA . 10251 1 1296 . 1 1 110 110 ALA HB1 H 1 1.424 0.030 . 1 . . . . 110 ALA HB . 10251 1 1297 . 1 1 110 110 ALA HB2 H 1 1.424 0.030 . 1 . . . . 110 ALA HB . 10251 1 1298 . 1 1 110 110 ALA HB3 H 1 1.424 0.030 . 1 . . . . 110 ALA HB . 10251 1 1299 . 1 1 110 110 ALA C C 13 179.895 0.300 . 1 . . . . 110 ALA C . 10251 1 1300 . 1 1 110 110 ALA CA C 13 54.871 0.300 . 1 . . . . 110 ALA CA . 10251 1 1301 . 1 1 110 110 ALA CB C 13 18.065 0.300 . 1 . . . . 110 ALA CB . 10251 1 1302 . 1 1 110 110 ALA N N 15 123.750 0.300 . 1 . . . . 110 ALA N . 10251 1 1303 . 1 1 111 111 GLU H H 1 8.185 0.030 . 1 . . . . 111 GLU H . 10251 1 1304 . 1 1 111 111 GLU HA H 1 4.180 0.030 . 1 . . . . 111 GLU HA . 10251 1 1305 . 1 1 111 111 GLU HB2 H 1 2.229 0.030 . 1 . . . . 111 GLU HB2 . 10251 1 1306 . 1 1 111 111 GLU HB3 H 1 2.229 0.030 . 1 . . . . 111 GLU HB3 . 10251 1 1307 . 1 1 111 111 GLU HG2 H 1 2.599 0.030 . 2 . . . . 111 GLU HG2 . 10251 1 1308 . 1 1 111 111 GLU HG3 H 1 2.406 0.030 . 2 . . . . 111 GLU HG3 . 10251 1 1309 . 1 1 111 111 GLU C C 13 178.587 0.300 . 1 . . . . 111 GLU C . 10251 1 1310 . 1 1 111 111 GLU CA C 13 59.466 0.300 . 1 . . . . 111 GLU CA . 10251 1 1311 . 1 1 111 111 GLU CB C 13 31.067 0.300 . 1 . . . . 111 GLU CB . 10251 1 1312 . 1 1 111 111 GLU CG C 13 38.428 0.300 . 1 . . . . 111 GLU CG . 10251 1 1313 . 1 1 111 111 GLU N N 15 119.757 0.300 . 1 . . . . 111 GLU N . 10251 1 1314 . 1 1 112 112 ARG H H 1 8.008 0.030 . 1 . . . . 112 ARG H . 10251 1 1315 . 1 1 112 112 ARG HA H 1 3.642 0.030 . 1 . . . . 112 ARG HA . 10251 1 1316 . 1 1 112 112 ARG HB2 H 1 2.266 0.030 . 2 . . . . 112 ARG HB2 . 10251 1 1317 . 1 1 112 112 ARG HB3 H 1 1.657 0.030 . 2 . . . . 112 ARG HB3 . 10251 1 1318 . 1 1 112 112 ARG HD2 H 1 2.755 0.030 . 2 . . . . 112 ARG HD2 . 10251 1 1319 . 1 1 112 112 ARG HD3 H 1 3.306 0.030 . 2 . . . . 112 ARG HD3 . 10251 1 1320 . 1 1 112 112 ARG HG2 H 1 1.432 0.030 . 1 . . . . 112 ARG HG2 . 10251 1 1321 . 1 1 112 112 ARG HG3 H 1 1.432 0.030 . 1 . . . . 112 ARG HG3 . 10251 1 1322 . 1 1 112 112 ARG C C 13 176.481 0.300 . 1 . . . . 112 ARG C . 10251 1 1323 . 1 1 112 112 ARG CA C 13 60.419 0.300 . 1 . . . . 112 ARG CA . 10251 1 1324 . 1 1 112 112 ARG CB C 13 29.957 0.300 . 1 . . . . 112 ARG CB . 10251 1 1325 . 1 1 112 112 ARG CD C 13 44.721 0.300 . 1 . . . . 112 ARG CD . 10251 1 1326 . 1 1 112 112 ARG CG C 13 26.209 0.300 . 1 . . . . 112 ARG CG . 10251 1 1327 . 1 1 112 112 ARG N N 15 118.430 0.300 . 1 . . . . 112 ARG N . 10251 1 1328 . 1 1 113 113 ALA H H 1 7.985 0.030 . 1 . . . . 113 ALA H . 10251 1 1329 . 1 1 113 113 ALA HA H 1 3.925 0.030 . 1 . . . . 113 ALA HA . 10251 1 1330 . 1 1 113 113 ALA HB1 H 1 1.505 0.030 . 1 . . . . 113 ALA HB . 10251 1 1331 . 1 1 113 113 ALA HB2 H 1 1.505 0.030 . 1 . . . . 113 ALA HB . 10251 1 1332 . 1 1 113 113 ALA HB3 H 1 1.505 0.030 . 1 . . . . 113 ALA HB . 10251 1 1333 . 1 1 113 113 ALA C C 13 180.117 0.300 . 1 . . . . 113 ALA C . 10251 1 1334 . 1 1 113 113 ALA CA C 13 55.372 0.300 . 1 . . . . 113 ALA CA . 10251 1 1335 . 1 1 113 113 ALA CB C 13 17.825 0.300 . 1 . . . . 113 ALA CB . 10251 1 1336 . 1 1 113 113 ALA N N 15 119.980 0.300 . 1 . . . . 113 ALA N . 10251 1 1337 . 1 1 114 114 GLU H H 1 8.093 0.030 . 1 . . . . 114 GLU H . 10251 1 1338 . 1 1 114 114 GLU HA H 1 3.936 0.030 . 1 . . . . 114 GLU HA . 10251 1 1339 . 1 1 114 114 GLU HB2 H 1 2.199 0.030 . 2 . . . . 114 GLU HB2 . 10251 1 1340 . 1 1 114 114 GLU HB3 H 1 1.741 0.030 . 2 . . . . 114 GLU HB3 . 10251 1 1341 . 1 1 114 114 GLU HG2 H 1 2.115 0.030 . 2 . . . . 114 GLU HG2 . 10251 1 1342 . 1 1 114 114 GLU HG3 H 1 2.451 0.030 . 2 . . . . 114 GLU HG3 . 10251 1 1343 . 1 1 114 114 GLU C C 13 180.586 0.300 . 1 . . . . 114 GLU C . 10251 1 1344 . 1 1 114 114 GLU CA C 13 59.148 0.300 . 1 . . . . 114 GLU CA . 10251 1 1345 . 1 1 114 114 GLU CB C 13 30.080 0.300 . 1 . . . . 114 GLU CB . 10251 1 1346 . 1 1 114 114 GLU CG C 13 36.454 0.300 . 1 . . . . 114 GLU CG . 10251 1 1347 . 1 1 114 114 GLU N N 15 117.168 0.300 . 1 . . . . 114 GLU N . 10251 1 1348 . 1 1 115 115 TRP H H 1 7.980 0.030 . 1 . . . . 115 TRP H . 10251 1 1349 . 1 1 115 115 TRP HA H 1 3.775 0.030 . 1 . . . . 115 TRP HA . 10251 1 1350 . 1 1 115 115 TRP HB2 H 1 2.766 0.030 . 2 . . . . 115 TRP HB2 . 10251 1 1351 . 1 1 115 115 TRP HB3 H 1 2.844 0.030 . 2 . . . . 115 TRP HB3 . 10251 1 1352 . 1 1 115 115 TRP HD1 H 1 7.469 0.030 . 1 . . . . 115 TRP HD1 . 10251 1 1353 . 1 1 115 115 TRP HE1 H 1 10.955 0.030 . 1 . . . . 115 TRP HE1 . 10251 1 1354 . 1 1 115 115 TRP HE3 H 1 7.348 0.030 . 1 . . . . 115 TRP HE3 . 10251 1 1355 . 1 1 115 115 TRP HH2 H 1 6.848 0.030 . 1 . . . . 115 TRP HH2 . 10251 1 1356 . 1 1 115 115 TRP HZ2 H 1 6.955 0.030 . 1 . . . . 115 TRP HZ2 . 10251 1 1357 . 1 1 115 115 TRP HZ3 H 1 6.864 0.030 . 1 . . . . 115 TRP HZ3 . 10251 1 1358 . 1 1 115 115 TRP C C 13 177.714 0.300 . 1 . . . . 115 TRP C . 10251 1 1359 . 1 1 115 115 TRP CA C 13 62.696 0.300 . 1 . . . . 115 TRP CA . 10251 1 1360 . 1 1 115 115 TRP CB C 13 29.052 0.300 . 1 . . . . 115 TRP CB . 10251 1 1361 . 1 1 115 115 TRP CD1 C 13 126.862 0.300 . 1 . . . . 115 TRP CD1 . 10251 1 1362 . 1 1 115 115 TRP CE3 C 13 118.690 0.300 . 1 . . . . 115 TRP CE3 . 10251 1 1363 . 1 1 115 115 TRP CH2 C 13 123.651 0.300 . 1 . . . . 115 TRP CH2 . 10251 1 1364 . 1 1 115 115 TRP CZ2 C 13 113.911 0.300 . 1 . . . . 115 TRP CZ2 . 10251 1 1365 . 1 1 115 115 TRP CZ3 C 13 121.060 0.300 . 1 . . . . 115 TRP CZ3 . 10251 1 1366 . 1 1 115 115 TRP N N 15 120.974 0.300 . 1 . . . . 115 TRP N . 10251 1 1367 . 1 1 115 115 TRP NE1 N 15 130.381 0.300 . 1 . . . . 115 TRP NE1 . 10251 1 1368 . 1 1 116 116 ILE H H 1 8.297 0.030 . 1 . . . . 116 ILE H . 10251 1 1369 . 1 1 116 116 ILE HA H 1 3.270 0.030 . 1 . . . . 116 ILE HA . 10251 1 1370 . 1 1 116 116 ILE HB H 1 1.674 0.030 . 1 . . . . 116 ILE HB . 10251 1 1371 . 1 1 116 116 ILE HD11 H 1 0.664 0.030 . 1 . . . . 116 ILE HD1 . 10251 1 1372 . 1 1 116 116 ILE HD12 H 1 0.664 0.030 . 1 . . . . 116 ILE HD1 . 10251 1 1373 . 1 1 116 116 ILE HD13 H 1 0.664 0.030 . 1 . . . . 116 ILE HD1 . 10251 1 1374 . 1 1 116 116 ILE HG12 H 1 0.370 0.030 . 2 . . . . 116 ILE HG12 . 10251 1 1375 . 1 1 116 116 ILE HG13 H 1 1.215 0.030 . 2 . . . . 116 ILE HG13 . 10251 1 1376 . 1 1 116 116 ILE HG21 H 1 0.764 0.030 . 1 . . . . 116 ILE HG2 . 10251 1 1377 . 1 1 116 116 ILE HG22 H 1 0.764 0.030 . 1 . . . . 116 ILE HG2 . 10251 1 1378 . 1 1 116 116 ILE HG23 H 1 0.764 0.030 . 1 . . . . 116 ILE HG2 . 10251 1 1379 . 1 1 116 116 ILE C C 13 177.568 0.300 . 1 . . . . 116 ILE C . 10251 1 1380 . 1 1 116 116 ILE CA C 13 66.643 0.300 . 1 . . . . 116 ILE CA . 10251 1 1381 . 1 1 116 116 ILE CB C 13 37.606 0.300 . 1 . . . . 116 ILE CB . 10251 1 1382 . 1 1 116 116 ILE CD1 C 13 14.905 0.300 . 1 . . . . 116 ILE CD1 . 10251 1 1383 . 1 1 116 116 ILE CG1 C 13 28.843 0.300 . 1 . . . . 116 ILE CG1 . 10251 1 1384 . 1 1 116 116 ILE CG2 C 13 16.553 0.300 . 1 . . . . 116 ILE CG2 . 10251 1 1385 . 1 1 116 116 ILE N N 15 118.408 0.300 . 1 . . . . 116 ILE N . 10251 1 1386 . 1 1 117 117 GLU H H 1 8.026 0.030 . 1 . . . . 117 GLU H . 10251 1 1387 . 1 1 117 117 GLU HA H 1 3.880 0.030 . 1 . . . . 117 GLU HA . 10251 1 1388 . 1 1 117 117 GLU HB2 H 1 1.922 0.030 . 2 . . . . 117 GLU HB2 . 10251 1 1389 . 1 1 117 117 GLU HB3 H 1 1.982 0.030 . 2 . . . . 117 GLU HB3 . 10251 1 1390 . 1 1 117 117 GLU HG2 H 1 2.254 0.030 . 1 . . . . 117 GLU HG2 . 10251 1 1391 . 1 1 117 117 GLU HG3 H 1 2.254 0.030 . 1 . . . . 117 GLU HG3 . 10251 1 1392 . 1 1 117 117 GLU C C 13 178.476 0.300 . 1 . . . . 117 GLU C . 10251 1 1393 . 1 1 117 117 GLU CA C 13 59.219 0.300 . 1 . . . . 117 GLU CA . 10251 1 1394 . 1 1 117 117 GLU CB C 13 29.381 0.300 . 1 . . . . 117 GLU CB . 10251 1 1395 . 1 1 117 117 GLU CG C 13 35.961 0.300 . 1 . . . . 117 GLU CG . 10251 1 1396 . 1 1 117 117 GLU N N 15 117.096 0.300 . 1 . . . . 117 GLU N . 10251 1 1397 . 1 1 118 118 ALA H H 1 7.555 0.030 . 1 . . . . 118 ALA H . 10251 1 1398 . 1 1 118 118 ALA HA H 1 3.952 0.030 . 1 . . . . 118 ALA HA . 10251 1 1399 . 1 1 118 118 ALA HB1 H 1 1.092 0.030 . 1 . . . . 118 ALA HB . 10251 1 1400 . 1 1 118 118 ALA HB2 H 1 1.092 0.030 . 1 . . . . 118 ALA HB . 10251 1 1401 . 1 1 118 118 ALA HB3 H 1 1.092 0.030 . 1 . . . . 118 ALA HB . 10251 1 1402 . 1 1 118 118 ALA C C 13 179.862 0.300 . 1 . . . . 118 ALA C . 10251 1 1403 . 1 1 118 118 ALA CA C 13 54.772 0.300 . 1 . . . . 118 ALA CA . 10251 1 1404 . 1 1 118 118 ALA CB C 13 18.277 0.300 . 1 . . . . 118 ALA CB . 10251 1 1405 . 1 1 118 118 ALA N N 15 119.817 0.300 . 1 . . . . 118 ALA N . 10251 1 1406 . 1 1 119 119 ILE H H 1 8.167 0.030 . 1 . . . . 119 ILE H . 10251 1 1407 . 1 1 119 119 ILE HA H 1 3.558 0.030 . 1 . . . . 119 ILE HA . 10251 1 1408 . 1 1 119 119 ILE HB H 1 1.884 0.030 . 1 . . . . 119 ILE HB . 10251 1 1409 . 1 1 119 119 ILE HD11 H 1 1.008 0.030 . 1 . . . . 119 ILE HD1 . 10251 1 1410 . 1 1 119 119 ILE HD12 H 1 1.008 0.030 . 1 . . . . 119 ILE HD1 . 10251 1 1411 . 1 1 119 119 ILE HD13 H 1 1.008 0.030 . 1 . . . . 119 ILE HD1 . 10251 1 1412 . 1 1 119 119 ILE HG12 H 1 2.304 0.030 . 2 . . . . 119 ILE HG12 . 10251 1 1413 . 1 1 119 119 ILE HG13 H 1 0.974 0.030 . 2 . . . . 119 ILE HG13 . 10251 1 1414 . 1 1 119 119 ILE HG21 H 1 0.886 0.030 . 1 . . . . 119 ILE HG2 . 10251 1 1415 . 1 1 119 119 ILE HG22 H 1 0.886 0.030 . 1 . . . . 119 ILE HG2 . 10251 1 1416 . 1 1 119 119 ILE HG23 H 1 0.886 0.030 . 1 . . . . 119 ILE HG2 . 10251 1 1417 . 1 1 119 119 ILE C C 13 178.564 0.300 . 1 . . . . 119 ILE C . 10251 1 1418 . 1 1 119 119 ILE CA C 13 65.766 0.300 . 1 . . . . 119 ILE CA . 10251 1 1419 . 1 1 119 119 ILE CB C 13 38.840 0.300 . 1 . . . . 119 ILE CB . 10251 1 1420 . 1 1 119 119 ILE CD1 C 13 14.329 0.300 . 1 . . . . 119 ILE CD1 . 10251 1 1421 . 1 1 119 119 ILE CG1 C 13 30.837 0.300 . 1 . . . . 119 ILE CG1 . 10251 1 1422 . 1 1 119 119 ILE CG2 C 13 18.058 0.300 . 1 . . . . 119 ILE CG2 . 10251 1 1423 . 1 1 119 119 ILE N N 15 116.280 0.300 . 1 . . . . 119 ILE N . 10251 1 1424 . 1 1 120 120 LYS H H 1 8.790 0.030 . 1 . . . . 120 LYS H . 10251 1 1425 . 1 1 120 120 LYS HA H 1 3.965 0.030 . 1 . . . . 120 LYS HA . 10251 1 1426 . 1 1 120 120 LYS HB2 H 1 1.887 0.030 . 2 . . . . 120 LYS HB2 . 10251 1 1427 . 1 1 120 120 LYS HB3 H 1 1.826 0.030 . 2 . . . . 120 LYS HB3 . 10251 1 1428 . 1 1 120 120 LYS HD2 H 1 1.625 0.030 . 1 . . . . 120 LYS HD2 . 10251 1 1429 . 1 1 120 120 LYS HD3 H 1 1.625 0.030 . 1 . . . . 120 LYS HD3 . 10251 1 1430 . 1 1 120 120 LYS HE2 H 1 2.945 0.030 . 2 . . . . 120 LYS HE2 . 10251 1 1431 . 1 1 120 120 LYS HE3 H 1 2.895 0.030 . 2 . . . . 120 LYS HE3 . 10251 1 1432 . 1 1 120 120 LYS HG2 H 1 1.404 0.030 . 2 . . . . 120 LYS HG2 . 10251 1 1433 . 1 1 120 120 LYS HG3 H 1 1.584 0.030 . 2 . . . . 120 LYS HG3 . 10251 1 1434 . 1 1 120 120 LYS C C 13 179.673 0.300 . 1 . . . . 120 LYS C . 10251 1 1435 . 1 1 120 120 LYS CA C 13 60.031 0.300 . 1 . . . . 120 LYS CA . 10251 1 1436 . 1 1 120 120 LYS CB C 13 32.547 0.300 . 1 . . . . 120 LYS CB . 10251 1 1437 . 1 1 120 120 LYS CD C 13 29.710 0.300 . 1 . . . . 120 LYS CD . 10251 1 1438 . 1 1 120 120 LYS CE C 13 41.886 0.300 . 1 . . . . 120 LYS CE . 10251 1 1439 . 1 1 120 120 LYS CG C 13 25.844 0.300 . 1 . . . . 120 LYS CG . 10251 1 1440 . 1 1 120 120 LYS N N 15 119.650 0.300 . 1 . . . . 120 LYS N . 10251 1 1441 . 1 1 121 121 LYS H H 1 7.594 0.030 . 1 . . . . 121 LYS H . 10251 1 1442 . 1 1 121 121 LYS HA H 1 4.095 0.030 . 1 . . . . 121 LYS HA . 10251 1 1443 . 1 1 121 121 LYS HB2 H 1 1.904 0.030 . 1 . . . . 121 LYS HB2 . 10251 1 1444 . 1 1 121 121 LYS HB3 H 1 1.904 0.030 . 1 . . . . 121 LYS HB3 . 10251 1 1445 . 1 1 121 121 LYS HD2 H 1 1.699 0.030 . 1 . . . . 121 LYS HD2 . 10251 1 1446 . 1 1 121 121 LYS HD3 H 1 1.699 0.030 . 1 . . . . 121 LYS HD3 . 10251 1 1447 . 1 1 121 121 LYS HE2 H 1 2.951 0.030 . 1 . . . . 121 LYS HE2 . 10251 1 1448 . 1 1 121 121 LYS HE3 H 1 2.951 0.030 . 1 . . . . 121 LYS HE3 . 10251 1 1449 . 1 1 121 121 LYS HG2 H 1 1.495 0.030 . 2 . . . . 121 LYS HG2 . 10251 1 1450 . 1 1 121 121 LYS HG3 H 1 1.647 0.030 . 2 . . . . 121 LYS HG3 . 10251 1 1451 . 1 1 121 121 LYS C C 13 177.962 0.300 . 1 . . . . 121 LYS C . 10251 1 1452 . 1 1 121 121 LYS CA C 13 58.848 0.300 . 1 . . . . 121 LYS CA . 10251 1 1453 . 1 1 121 121 LYS CB C 13 32.547 0.300 . 1 . . . . 121 LYS CB . 10251 1 1454 . 1 1 121 121 LYS CD C 13 29.099 0.300 . 1 . . . . 121 LYS CD . 10251 1 1455 . 1 1 121 121 LYS CE C 13 42.136 0.300 . 1 . . . . 121 LYS CE . 10251 1 1456 . 1 1 121 121 LYS CG C 13 25.433 0.300 . 1 . . . . 121 LYS CG . 10251 1 1457 . 1 1 121 121 LYS N N 15 117.197 0.300 . 1 . . . . 121 LYS N . 10251 1 1458 . 1 1 122 122 LEU H H 1 7.586 0.030 . 1 . . . . 122 LEU H . 10251 1 1459 . 1 1 122 122 LEU HA H 1 4.535 0.030 . 1 . . . . 122 LEU HA . 10251 1 1460 . 1 1 122 122 LEU HB2 H 1 1.855 0.030 . 2 . . . . 122 LEU HB2 . 10251 1 1461 . 1 1 122 122 LEU HB3 H 1 1.725 0.030 . 2 . . . . 122 LEU HB3 . 10251 1 1462 . 1 1 122 122 LEU HD11 H 1 0.919 0.030 . 1 . . . . 122 LEU HD1 . 10251 1 1463 . 1 1 122 122 LEU HD12 H 1 0.919 0.030 . 1 . . . . 122 LEU HD1 . 10251 1 1464 . 1 1 122 122 LEU HD13 H 1 0.919 0.030 . 1 . . . . 122 LEU HD1 . 10251 1 1465 . 1 1 122 122 LEU HD21 H 1 0.884 0.030 . 1 . . . . 122 LEU HD2 . 10251 1 1466 . 1 1 122 122 LEU HD22 H 1 0.884 0.030 . 1 . . . . 122 LEU HD2 . 10251 1 1467 . 1 1 122 122 LEU HD23 H 1 0.884 0.030 . 1 . . . . 122 LEU HD2 . 10251 1 1468 . 1 1 122 122 LEU HG H 1 1.812 0.030 . 1 . . . . 122 LEU HG . 10251 1 1469 . 1 1 122 122 LEU C C 13 177.902 0.300 . 1 . . . . 122 LEU C . 10251 1 1470 . 1 1 122 122 LEU CA C 13 55.071 0.300 . 1 . . . . 122 LEU CA . 10251 1 1471 . 1 1 122 122 LEU CB C 13 42.888 0.300 . 1 . . . . 122 LEU CB . 10251 1 1472 . 1 1 122 122 LEU CD1 C 13 23.130 0.300 . 2 . . . . 122 LEU CD1 . 10251 1 1473 . 1 1 122 122 LEU CD2 C 13 26.336 0.300 . 2 . . . . 122 LEU CD2 . 10251 1 1474 . 1 1 122 122 LEU CG C 13 26.810 0.300 . 1 . . . . 122 LEU CG . 10251 1 1475 . 1 1 122 122 LEU N N 15 116.861 0.300 . 1 . . . . 122 LEU N . 10251 1 1476 . 1 1 123 123 THR H H 1 7.636 0.030 . 1 . . . . 123 THR H . 10251 1 1477 . 1 1 123 123 THR HA H 1 4.445 0.030 . 1 . . . . 123 THR HA . 10251 1 1478 . 1 1 123 123 THR HB H 1 4.602 0.030 . 1 . . . . 123 THR HB . 10251 1 1479 . 1 1 123 123 THR HG21 H 1 1.295 0.030 . 1 . . . . 123 THR HG2 . 10251 1 1480 . 1 1 123 123 THR HG22 H 1 1.295 0.030 . 1 . . . . 123 THR HG2 . 10251 1 1481 . 1 1 123 123 THR HG23 H 1 1.295 0.030 . 1 . . . . 123 THR HG2 . 10251 1 1482 . 1 1 123 123 THR C C 13 175.714 0.300 . 1 . . . . 123 THR C . 10251 1 1483 . 1 1 123 123 THR CA C 13 62.643 0.300 . 1 . . . . 123 THR CA . 10251 1 1484 . 1 1 123 123 THR CB C 13 70.259 0.300 . 1 . . . . 123 THR CB . 10251 1 1485 . 1 1 123 123 THR CG2 C 13 22.175 0.300 . 1 . . . . 123 THR CG2 . 10251 1 1486 . 1 1 123 123 THR N N 15 108.963 0.300 . 1 . . . . 123 THR N . 10251 1 1487 . 1 1 124 124 SER H H 1 7.912 0.030 . 1 . . . . 124 SER H . 10251 1 1488 . 1 1 124 124 SER HA H 1 4.626 0.030 . 1 . . . . 124 SER HA . 10251 1 1489 . 1 1 124 124 SER HB2 H 1 3.965 0.030 . 1 . . . . 124 SER HB2 . 10251 1 1490 . 1 1 124 124 SER HB3 H 1 3.965 0.030 . 1 . . . . 124 SER HB3 . 10251 1 1491 . 1 1 124 124 SER C C 13 174.405 0.300 . 1 . . . . 124 SER C . 10251 1 1492 . 1 1 124 124 SER CA C 13 58.390 0.300 . 1 . . . . 124 SER CA . 10251 1 1493 . 1 1 124 124 SER CB C 13 64.255 0.300 . 1 . . . . 124 SER CB . 10251 1 1494 . 1 1 124 124 SER N N 15 116.876 0.300 . 1 . . . . 124 SER N . 10251 1 1495 . 1 1 125 125 GLY H H 1 8.307 0.030 . 1 . . . . 125 GLY H . 10251 1 1496 . 1 1 125 125 GLY HA2 H 1 4.166 0.030 . 1 . . . . 125 GLY HA2 . 10251 1 1497 . 1 1 125 125 GLY HA3 H 1 4.166 0.030 . 1 . . . . 125 GLY HA3 . 10251 1 1498 . 1 1 125 125 GLY C C 13 171.921 0.300 . 1 . . . . 125 GLY C . 10251 1 1499 . 1 1 125 125 GLY CA C 13 44.748 0.300 . 1 . . . . 125 GLY CA . 10251 1 1500 . 1 1 125 125 GLY N N 15 110.006 0.300 . 1 . . . . 125 GLY N . 10251 1 1501 . 1 1 126 126 PRO HA H 1 4.510 0.030 . 1 . . . . 126 PRO HA . 10251 1 1502 . 1 1 126 126 PRO HB2 H 1 2.324 0.030 . 2 . . . . 126 PRO HB2 . 10251 1 1503 . 1 1 126 126 PRO HB3 H 1 2.010 0.030 . 2 . . . . 126 PRO HB3 . 10251 1 1504 . 1 1 126 126 PRO HD2 H 1 3.668 0.030 . 1 . . . . 126 PRO HD2 . 10251 1 1505 . 1 1 126 126 PRO HD3 H 1 3.668 0.030 . 1 . . . . 126 PRO HD3 . 10251 1 1506 . 1 1 126 126 PRO HG2 H 1 2.044 0.030 . 1 . . . . 126 PRO HG2 . 10251 1 1507 . 1 1 126 126 PRO HG3 H 1 2.044 0.030 . 1 . . . . 126 PRO HG3 . 10251 1 1508 . 1 1 126 126 PRO C C 13 177.471 0.300 . 1 . . . . 126 PRO C . 10251 1 1509 . 1 1 126 126 PRO CA C 13 63.419 0.300 . 1 . . . . 126 PRO CA . 10251 1 1510 . 1 1 126 126 PRO CB C 13 32.106 0.300 . 1 . . . . 126 PRO CB . 10251 1 1511 . 1 1 126 126 PRO CD C 13 49.861 0.300 . 1 . . . . 126 PRO CD . 10251 1 1512 . 1 1 126 126 PRO CG C 13 27.160 0.300 . 1 . . . . 126 PRO CG . 10251 1 1513 . 1 1 127 127 SER H H 1 8.607 0.030 . 1 . . . . 127 SER H . 10251 1 1514 . 1 1 127 127 SER C C 13 174.628 0.300 . 1 . . . . 127 SER C . 10251 1 1515 . 1 1 127 127 SER CA C 13 58.513 0.300 . 1 . . . . 127 SER CA . 10251 1 1516 . 1 1 127 127 SER CB C 13 63.679 0.300 . 1 . . . . 127 SER CB . 10251 1 1517 . 1 1 127 127 SER N N 15 116.390 0.300 . 1 . . . . 127 SER N . 10251 1 1518 . 1 1 128 128 SER H H 1 8.272 0.030 . 1 . . . . 128 SER H . 10251 1 1519 . 1 1 128 128 SER HA H 1 4.496 0.030 . 1 . . . . 128 SER HA . 10251 1 1520 . 1 1 128 128 SER C C 13 173.921 0.300 . 1 . . . . 128 SER C . 10251 1 1521 . 1 1 128 128 SER CA C 13 58.442 0.300 . 1 . . . . 128 SER CA . 10251 1 1522 . 1 1 128 128 SER CB C 13 64.173 0.300 . 1 . . . . 128 SER CB . 10251 1 1523 . 1 1 128 128 SER N N 15 117.506 0.300 . 1 . . . . 128 SER N . 10251 1 1524 . 1 1 129 129 GLY H H 1 8.048 0.030 . 1 . . . . 129 GLY H . 10251 1 1525 . 1 1 129 129 GLY HA2 H 1 3.769 0.030 . 2 . . . . 129 GLY HA2 . 10251 1 1526 . 1 1 129 129 GLY HA3 H 1 3.812 0.030 . 2 . . . . 129 GLY HA3 . 10251 1 1527 . 1 1 129 129 GLY C C 13 178.974 0.300 . 1 . . . . 129 GLY C . 10251 1 1528 . 1 1 129 129 GLY CA C 13 46.195 0.300 . 1 . . . . 129 GLY CA . 10251 1 1529 . 1 1 129 129 GLY N N 15 116.749 0.300 . 1 . . . . 129 GLY N . 10251 1 stop_ save_