data_10280 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10280 _Entry.Title ; Solution structure of the PH domain of Oxysterol binding protein-related protein 11 from human ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-15 _Entry.Accession_date 2008-12-15 _Entry.Last_release_date 2009-12-14 _Entry.Original_release_date 2009-12-14 _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 . . . 10280 2 M. Sato . . . 10280 3 S. Koshiba . . . 10280 4 M. Inoue . . . 10280 5 T. Kigawa . . . 10280 6 S. Yokoyama . . . 10280 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' 10280 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10280 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 497 10280 '15N chemical shifts' 123 10280 '1H chemical shifts' 766 10280 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 . . 2009-12-14 2008-12-15 original author . 10280 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D9X 'BMRB Entry Tracking System' 10280 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10280 _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 PH domain of Oxysterol binding protein-related protein 11 from human ; _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 . . . 10280 1 2 M. Sato . . . 10280 1 3 S. Koshiba . . . 10280 1 4 M. Inoue . . . 10280 1 5 T. Kigawa . . . 10280 1 6 S. Yokoyama . . . 10280 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10280 _Assembly.ID 1 _Assembly.Name 'Oxysterol binding protein-related protein 11' _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 . . . 10280 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 2D9X . . . . . . 10280 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10280 _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 ; GSSGSSGENVYGYLMKYTNL VTGWQYRFFVLNNEAGLLEY FVNEQSRNQKPRGTLQLAGA VISPSDEDSHTFTVNAASGE QYKLRATDAKERQHWVSRLQ ICTQHHTEAIGKNNSGPSSG ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2D9X . "Solution Structure Of The Ph Domain Of Oxysterol Binding Protein-Related Protein 11 From Human" . . . . . 100.00 120 100.00 100.00 4.22e-83 . . . . 10280 1 2 no DBJ BAF85391 . "unnamed protein product [Homo sapiens]" . . . . . 89.17 747 100.00 100.00 5.17e-68 . . . . 10280 1 3 no DBJ BAG10618 . "oxysterol-binding protein-related protein 11 [synthetic construct]" . . . . . 89.17 747 100.00 100.00 5.17e-68 . . . . 10280 1 4 no GB AAH35278 . "Oxysterol binding protein-like 11 [Mus musculus]" . . . . . 89.17 757 98.13 99.07 6.51e-66 . . . . 10280 1 5 no GB AAH65213 . "Oxysterol binding protein-like 11 [Homo sapiens]" . . . . . 89.17 747 100.00 100.00 5.17e-68 . . . . 10280 1 6 no GB AAI68952 . "Oxysterol binding protein-like 11 [Rattus norvegicus]" . . . . . 89.17 754 98.13 99.07 7.43e-66 . . . . 10280 1 7 no GB AAK31141 . "OSBP related protein 11 [Homo sapiens]" . . . . . 89.17 315 100.00 100.00 2.27e-72 . . . . 10280 1 8 no GB AAL40667 . "oxysterol-binding protein-like protein OSBPL11 [Homo sapiens]" . . . . . 89.17 747 100.00 100.00 5.17e-68 . . . . 10280 1 9 no REF NP_001100560 . "oxysterol-binding protein-related protein 11 [Rattus norvegicus]" . . . . . 89.17 754 98.13 99.07 7.43e-66 . . . . 10280 1 10 no REF NP_001179937 . "oxysterol-binding protein-related protein 11 [Bos taurus]" . . . . . 89.17 758 100.00 100.00 5.30e-68 . . . . 10280 1 11 no REF NP_073613 . "oxysterol-binding protein-related protein 11 [Homo sapiens]" . . . . . 89.17 747 100.00 100.00 5.17e-68 . . . . 10280 1 12 no REF NP_789810 . "oxysterol-binding protein-related protein 11 [Mus musculus]" . . . . . 89.17 757 98.13 99.07 7.59e-66 . . . . 10280 1 13 no REF XP_001114179 . "PREDICTED: oxysterol-binding protein-related protein 11-like [Macaca mulatta]" . . . . . 89.17 751 100.00 100.00 4.24e-68 . . . . 10280 1 14 no SP Q8CI95 . "RecName: Full=Oxysterol-binding protein-related protein 11; Short=ORP-11; Short=OSBP-related protein 11" . . . . . 89.17 751 98.13 99.07 6.31e-66 . . . . 10280 1 15 no SP Q9BXB4 . "RecName: Full=Oxysterol-binding protein-related protein 11; Short=ORP-11; Short=OSBP-related protein 11" . . . . . 89.17 747 100.00 100.00 5.17e-68 . . . . 10280 1 16 no TPG DAA33462 . "TPA: oxysterol binding protein-like 11 [Bos taurus]" . . . . . 89.17 758 100.00 100.00 5.30e-68 . . . . 10280 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PH domain' . 10280 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 . 10280 1 2 . SER . 10280 1 3 . SER . 10280 1 4 . GLY . 10280 1 5 . SER . 10280 1 6 . SER . 10280 1 7 . GLY . 10280 1 8 . GLU . 10280 1 9 . ASN . 10280 1 10 . VAL . 10280 1 11 . TYR . 10280 1 12 . GLY . 10280 1 13 . TYR . 10280 1 14 . LEU . 10280 1 15 . MET . 10280 1 16 . LYS . 10280 1 17 . TYR . 10280 1 18 . THR . 10280 1 19 . ASN . 10280 1 20 . LEU . 10280 1 21 . VAL . 10280 1 22 . THR . 10280 1 23 . GLY . 10280 1 24 . TRP . 10280 1 25 . GLN . 10280 1 26 . TYR . 10280 1 27 . ARG . 10280 1 28 . PHE . 10280 1 29 . PHE . 10280 1 30 . VAL . 10280 1 31 . LEU . 10280 1 32 . ASN . 10280 1 33 . ASN . 10280 1 34 . GLU . 10280 1 35 . ALA . 10280 1 36 . GLY . 10280 1 37 . LEU . 10280 1 38 . LEU . 10280 1 39 . GLU . 10280 1 40 . TYR . 10280 1 41 . PHE . 10280 1 42 . VAL . 10280 1 43 . ASN . 10280 1 44 . GLU . 10280 1 45 . GLN . 10280 1 46 . SER . 10280 1 47 . ARG . 10280 1 48 . ASN . 10280 1 49 . GLN . 10280 1 50 . LYS . 10280 1 51 . PRO . 10280 1 52 . ARG . 10280 1 53 . GLY . 10280 1 54 . THR . 10280 1 55 . LEU . 10280 1 56 . GLN . 10280 1 57 . LEU . 10280 1 58 . ALA . 10280 1 59 . GLY . 10280 1 60 . ALA . 10280 1 61 . VAL . 10280 1 62 . ILE . 10280 1 63 . SER . 10280 1 64 . PRO . 10280 1 65 . SER . 10280 1 66 . ASP . 10280 1 67 . GLU . 10280 1 68 . ASP . 10280 1 69 . SER . 10280 1 70 . HIS . 10280 1 71 . THR . 10280 1 72 . PHE . 10280 1 73 . THR . 10280 1 74 . VAL . 10280 1 75 . ASN . 10280 1 76 . ALA . 10280 1 77 . ALA . 10280 1 78 . SER . 10280 1 79 . GLY . 10280 1 80 . GLU . 10280 1 81 . GLN . 10280 1 82 . TYR . 10280 1 83 . LYS . 10280 1 84 . LEU . 10280 1 85 . ARG . 10280 1 86 . ALA . 10280 1 87 . THR . 10280 1 88 . ASP . 10280 1 89 . ALA . 10280 1 90 . LYS . 10280 1 91 . GLU . 10280 1 92 . ARG . 10280 1 93 . GLN . 10280 1 94 . HIS . 10280 1 95 . TRP . 10280 1 96 . VAL . 10280 1 97 . SER . 10280 1 98 . ARG . 10280 1 99 . LEU . 10280 1 100 . GLN . 10280 1 101 . ILE . 10280 1 102 . CYS . 10280 1 103 . THR . 10280 1 104 . GLN . 10280 1 105 . HIS . 10280 1 106 . HIS . 10280 1 107 . THR . 10280 1 108 . GLU . 10280 1 109 . ALA . 10280 1 110 . ILE . 10280 1 111 . GLY . 10280 1 112 . LYS . 10280 1 113 . ASN . 10280 1 114 . ASN . 10280 1 115 . SER . 10280 1 116 . GLY . 10280 1 117 . PRO . 10280 1 118 . SER . 10280 1 119 . SER . 10280 1 120 . GLY . 10280 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 10280 1 . SER 2 2 10280 1 . SER 3 3 10280 1 . GLY 4 4 10280 1 . SER 5 5 10280 1 . SER 6 6 10280 1 . GLY 7 7 10280 1 . GLU 8 8 10280 1 . ASN 9 9 10280 1 . VAL 10 10 10280 1 . TYR 11 11 10280 1 . GLY 12 12 10280 1 . TYR 13 13 10280 1 . LEU 14 14 10280 1 . MET 15 15 10280 1 . LYS 16 16 10280 1 . TYR 17 17 10280 1 . THR 18 18 10280 1 . ASN 19 19 10280 1 . LEU 20 20 10280 1 . VAL 21 21 10280 1 . THR 22 22 10280 1 . GLY 23 23 10280 1 . TRP 24 24 10280 1 . GLN 25 25 10280 1 . TYR 26 26 10280 1 . ARG 27 27 10280 1 . PHE 28 28 10280 1 . PHE 29 29 10280 1 . VAL 30 30 10280 1 . LEU 31 31 10280 1 . ASN 32 32 10280 1 . ASN 33 33 10280 1 . GLU 34 34 10280 1 . ALA 35 35 10280 1 . GLY 36 36 10280 1 . LEU 37 37 10280 1 . LEU 38 38 10280 1 . GLU 39 39 10280 1 . TYR 40 40 10280 1 . PHE 41 41 10280 1 . VAL 42 42 10280 1 . ASN 43 43 10280 1 . GLU 44 44 10280 1 . GLN 45 45 10280 1 . SER 46 46 10280 1 . ARG 47 47 10280 1 . ASN 48 48 10280 1 . GLN 49 49 10280 1 . LYS 50 50 10280 1 . PRO 51 51 10280 1 . ARG 52 52 10280 1 . GLY 53 53 10280 1 . THR 54 54 10280 1 . LEU 55 55 10280 1 . GLN 56 56 10280 1 . LEU 57 57 10280 1 . ALA 58 58 10280 1 . GLY 59 59 10280 1 . ALA 60 60 10280 1 . VAL 61 61 10280 1 . ILE 62 62 10280 1 . SER 63 63 10280 1 . PRO 64 64 10280 1 . SER 65 65 10280 1 . ASP 66 66 10280 1 . GLU 67 67 10280 1 . ASP 68 68 10280 1 . SER 69 69 10280 1 . HIS 70 70 10280 1 . THR 71 71 10280 1 . PHE 72 72 10280 1 . THR 73 73 10280 1 . VAL 74 74 10280 1 . ASN 75 75 10280 1 . ALA 76 76 10280 1 . ALA 77 77 10280 1 . SER 78 78 10280 1 . GLY 79 79 10280 1 . GLU 80 80 10280 1 . GLN 81 81 10280 1 . TYR 82 82 10280 1 . LYS 83 83 10280 1 . LEU 84 84 10280 1 . ARG 85 85 10280 1 . ALA 86 86 10280 1 . THR 87 87 10280 1 . ASP 88 88 10280 1 . ALA 89 89 10280 1 . LYS 90 90 10280 1 . GLU 91 91 10280 1 . ARG 92 92 10280 1 . GLN 93 93 10280 1 . HIS 94 94 10280 1 . TRP 95 95 10280 1 . VAL 96 96 10280 1 . SER 97 97 10280 1 . ARG 98 98 10280 1 . LEU 99 99 10280 1 . GLN 100 100 10280 1 . ILE 101 101 10280 1 . CYS 102 102 10280 1 . THR 103 103 10280 1 . GLN 104 104 10280 1 . HIS 105 105 10280 1 . HIS 106 106 10280 1 . THR 107 107 10280 1 . GLU 108 108 10280 1 . ALA 109 109 10280 1 . ILE 110 110 10280 1 . GLY 111 111 10280 1 . LYS 112 112 10280 1 . ASN 113 113 10280 1 . ASN 114 114 10280 1 . SER 115 115 10280 1 . GLY 116 116 10280 1 . PRO 117 117 10280 1 . SER 118 118 10280 1 . SER 119 119 10280 1 . GLY 120 120 10280 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 10280 _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 . . . . . . . . . . . . . . . . . . . . . 10280 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 10280 _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 . . P050404-14 . . . . . . 10280 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10280 _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 1.16 . . mM . . . . 10280 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10280 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10280 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10280 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10280 1 6 H2O . . . . . . solvent 90 . . % . . . . 10280 1 7 D2O . . . . . . solvent 10 . . % . . . . 10280 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 10280 _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 10280 1 pH 7.0 0.05 pH 10280 1 pressure 1 0.001 atm 10280 1 temperature 296 0.1 K 10280 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10280 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10280 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10280 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10280 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10280 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10280 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10280 _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.' . . 10280 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10280 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10280 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10280 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10280 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10280 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10280 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10280 5 'structure solution' 10280 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 10280 _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 10280 _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 . . . 10280 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 10280 _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 . . . . . . . . . . . . . . . . 10280 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10280 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 10280 _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 . . . . . . . . . 10280 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10280 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10280 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 10280 _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 10280 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10280 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 3.972 0.030 . 1 . . . . 7 GLY HA2 . 10280 1 2 . 1 1 7 7 GLY HA3 H 1 3.972 0.030 . 1 . . . . 7 GLY HA3 . 10280 1 3 . 1 1 7 7 GLY C C 13 173.812 0.300 . 1 . . . . 7 GLY C . 10280 1 4 . 1 1 7 7 GLY CA C 13 45.537 0.300 . 1 . . . . 7 GLY CA . 10280 1 5 . 1 1 8 8 GLU H H 1 8.178 0.030 . 1 . . . . 8 GLU H . 10280 1 6 . 1 1 8 8 GLU HA H 1 4.372 0.030 . 1 . . . . 8 GLU HA . 10280 1 7 . 1 1 8 8 GLU HB2 H 1 1.903 0.030 . 2 . . . . 8 GLU HB2 . 10280 1 8 . 1 1 8 8 GLU HB3 H 1 2.102 0.030 . 2 . . . . 8 GLU HB3 . 10280 1 9 . 1 1 8 8 GLU HG2 H 1 2.253 0.030 . 2 . . . . 8 GLU HG2 . 10280 1 10 . 1 1 8 8 GLU HG3 H 1 2.232 0.030 . 2 . . . . 8 GLU HG3 . 10280 1 11 . 1 1 8 8 GLU C C 13 176.017 0.300 . 1 . . . . 8 GLU C . 10280 1 12 . 1 1 8 8 GLU CA C 13 55.945 0.300 . 1 . . . . 8 GLU CA . 10280 1 13 . 1 1 8 8 GLU CB C 13 30.945 0.300 . 1 . . . . 8 GLU CB . 10280 1 14 . 1 1 8 8 GLU CG C 13 36.354 0.300 . 1 . . . . 8 GLU CG . 10280 1 15 . 1 1 8 8 GLU N N 15 119.515 0.300 . 1 . . . . 8 GLU N . 10280 1 16 . 1 1 9 9 ASN H H 1 8.411 0.030 . 1 . . . . 9 ASN H . 10280 1 17 . 1 1 9 9 ASN HA H 1 4.954 0.030 . 1 . . . . 9 ASN HA . 10280 1 18 . 1 1 9 9 ASN HB2 H 1 2.853 0.030 . 1 . . . . 9 ASN HB2 . 10280 1 19 . 1 1 9 9 ASN HB3 H 1 2.853 0.030 . 1 . . . . 9 ASN HB3 . 10280 1 20 . 1 1 9 9 ASN HD21 H 1 7.490 0.030 . 2 . . . . 9 ASN HD21 . 10280 1 21 . 1 1 9 9 ASN HD22 H 1 7.253 0.030 . 2 . . . . 9 ASN HD22 . 10280 1 22 . 1 1 9 9 ASN C C 13 174.863 0.300 . 1 . . . . 9 ASN C . 10280 1 23 . 1 1 9 9 ASN CA C 13 53.018 0.300 . 1 . . . . 9 ASN CA . 10280 1 24 . 1 1 9 9 ASN CB C 13 38.840 0.300 . 1 . . . . 9 ASN CB . 10280 1 25 . 1 1 9 9 ASN N N 15 120.622 0.300 . 1 . . . . 9 ASN N . 10280 1 26 . 1 1 9 9 ASN ND2 N 15 111.907 0.300 . 1 . . . . 9 ASN ND2 . 10280 1 27 . 1 1 10 10 VAL H H 1 7.873 0.030 . 1 . . . . 10 VAL H . 10280 1 28 . 1 1 10 10 VAL HA H 1 4.004 0.030 . 1 . . . . 10 VAL HA . 10280 1 29 . 1 1 10 10 VAL HB H 1 1.513 0.030 . 1 . . . . 10 VAL HB . 10280 1 30 . 1 1 10 10 VAL HG11 H 1 -0.137 0.030 . 1 . . . . 10 VAL HG1 . 10280 1 31 . 1 1 10 10 VAL HG12 H 1 -0.137 0.030 . 1 . . . . 10 VAL HG1 . 10280 1 32 . 1 1 10 10 VAL HG13 H 1 -0.137 0.030 . 1 . . . . 10 VAL HG1 . 10280 1 33 . 1 1 10 10 VAL HG21 H 1 0.463 0.030 . 1 . . . . 10 VAL HG2 . 10280 1 34 . 1 1 10 10 VAL HG22 H 1 0.463 0.030 . 1 . . . . 10 VAL HG2 . 10280 1 35 . 1 1 10 10 VAL HG23 H 1 0.463 0.030 . 1 . . . . 10 VAL HG2 . 10280 1 36 . 1 1 10 10 VAL C C 13 172.717 0.300 . 1 . . . . 10 VAL C . 10280 1 37 . 1 1 10 10 VAL CA C 13 61.534 0.300 . 1 . . . . 10 VAL CA . 10280 1 38 . 1 1 10 10 VAL CB C 13 33.495 0.300 . 1 . . . . 10 VAL CB . 10280 1 39 . 1 1 10 10 VAL CG1 C 13 20.172 0.300 . 2 . . . . 10 VAL CG1 . 10280 1 40 . 1 1 10 10 VAL CG2 C 13 21.141 0.300 . 2 . . . . 10 VAL CG2 . 10280 1 41 . 1 1 10 10 VAL N N 15 120.787 0.300 . 1 . . . . 10 VAL N . 10280 1 42 . 1 1 11 11 TYR H H 1 7.784 0.030 . 1 . . . . 11 TYR H . 10280 1 43 . 1 1 11 11 TYR HA H 1 5.703 0.030 . 1 . . . . 11 TYR HA . 10280 1 44 . 1 1 11 11 TYR HB2 H 1 3.213 0.030 . 2 . . . . 11 TYR HB2 . 10280 1 45 . 1 1 11 11 TYR HB3 H 1 3.013 0.030 . 2 . . . . 11 TYR HB3 . 10280 1 46 . 1 1 11 11 TYR HD1 H 1 7.133 0.030 . 1 . . . . 11 TYR HD1 . 10280 1 47 . 1 1 11 11 TYR HD2 H 1 7.133 0.030 . 1 . . . . 11 TYR HD2 . 10280 1 48 . 1 1 11 11 TYR HE1 H 1 6.963 0.030 . 1 . . . . 11 TYR HE1 . 10280 1 49 . 1 1 11 11 TYR HE2 H 1 6.963 0.030 . 1 . . . . 11 TYR HE2 . 10280 1 50 . 1 1 11 11 TYR C C 13 175.517 0.300 . 1 . . . . 11 TYR C . 10280 1 51 . 1 1 11 11 TYR CA C 13 55.095 0.300 . 1 . . . . 11 TYR CA . 10280 1 52 . 1 1 11 11 TYR CB C 13 41.348 0.300 . 1 . . . . 11 TYR CB . 10280 1 53 . 1 1 11 11 TYR CD1 C 13 134.191 0.300 . 1 . . . . 11 TYR CD1 . 10280 1 54 . 1 1 11 11 TYR CD2 C 13 134.191 0.300 . 1 . . . . 11 TYR CD2 . 10280 1 55 . 1 1 11 11 TYR CE1 C 13 118.284 0.300 . 1 . . . . 11 TYR CE1 . 10280 1 56 . 1 1 11 11 TYR CE2 C 13 118.284 0.300 . 1 . . . . 11 TYR CE2 . 10280 1 57 . 1 1 11 11 TYR N N 15 120.966 0.300 . 1 . . . . 11 TYR N . 10280 1 58 . 1 1 12 12 GLY H H 1 8.623 0.030 . 1 . . . . 12 GLY H . 10280 1 59 . 1 1 12 12 GLY HA2 H 1 4.968 0.030 . 2 . . . . 12 GLY HA2 . 10280 1 60 . 1 1 12 12 GLY HA3 H 1 4.163 0.030 . 2 . . . . 12 GLY HA3 . 10280 1 61 . 1 1 12 12 GLY C C 13 172.098 0.300 . 1 . . . . 12 GLY C . 10280 1 62 . 1 1 12 12 GLY CA C 13 45.453 0.300 . 1 . . . . 12 GLY CA . 10280 1 63 . 1 1 12 12 GLY N N 15 107.529 0.300 . 1 . . . . 12 GLY N . 10280 1 64 . 1 1 13 13 TYR H H 1 9.223 0.030 . 1 . . . . 13 TYR H . 10280 1 65 . 1 1 13 13 TYR HA H 1 5.534 0.030 . 1 . . . . 13 TYR HA . 10280 1 66 . 1 1 13 13 TYR HB2 H 1 3.029 0.030 . 2 . . . . 13 TYR HB2 . 10280 1 67 . 1 1 13 13 TYR HB3 H 1 2.592 0.030 . 2 . . . . 13 TYR HB3 . 10280 1 68 . 1 1 13 13 TYR HD1 H 1 7.113 0.030 . 1 . . . . 13 TYR HD1 . 10280 1 69 . 1 1 13 13 TYR HD2 H 1 7.113 0.030 . 1 . . . . 13 TYR HD2 . 10280 1 70 . 1 1 13 13 TYR HE1 H 1 7.052 0.030 . 1 . . . . 13 TYR HE1 . 10280 1 71 . 1 1 13 13 TYR HE2 H 1 7.052 0.030 . 1 . . . . 13 TYR HE2 . 10280 1 72 . 1 1 13 13 TYR C C 13 178.018 0.300 . 1 . . . . 13 TYR C . 10280 1 73 . 1 1 13 13 TYR CA C 13 59.018 0.300 . 1 . . . . 13 TYR CA . 10280 1 74 . 1 1 13 13 TYR CB C 13 40.420 0.300 . 1 . . . . 13 TYR CB . 10280 1 75 . 1 1 13 13 TYR CD1 C 13 134.173 0.300 . 1 . . . . 13 TYR CD1 . 10280 1 76 . 1 1 13 13 TYR CD2 C 13 134.173 0.300 . 1 . . . . 13 TYR CD2 . 10280 1 77 . 1 1 13 13 TYR CE1 C 13 118.863 0.300 . 1 . . . . 13 TYR CE1 . 10280 1 78 . 1 1 13 13 TYR CE2 C 13 118.863 0.300 . 1 . . . . 13 TYR CE2 . 10280 1 79 . 1 1 13 13 TYR N N 15 118.529 0.300 . 1 . . . . 13 TYR N . 10280 1 80 . 1 1 14 14 LEU H H 1 9.362 0.030 . 1 . . . . 14 LEU H . 10280 1 81 . 1 1 14 14 LEU HA H 1 4.685 0.030 . 1 . . . . 14 LEU HA . 10280 1 82 . 1 1 14 14 LEU HB2 H 1 1.204 0.030 . 2 . . . . 14 LEU HB2 . 10280 1 83 . 1 1 14 14 LEU HB3 H 1 0.803 0.030 . 2 . . . . 14 LEU HB3 . 10280 1 84 . 1 1 14 14 LEU HD11 H 1 -1.047 0.030 . 1 . . . . 14 LEU HD1 . 10280 1 85 . 1 1 14 14 LEU HD12 H 1 -1.047 0.030 . 1 . . . . 14 LEU HD1 . 10280 1 86 . 1 1 14 14 LEU HD13 H 1 -1.047 0.030 . 1 . . . . 14 LEU HD1 . 10280 1 87 . 1 1 14 14 LEU HD21 H 1 0.585 0.030 . 1 . . . . 14 LEU HD2 . 10280 1 88 . 1 1 14 14 LEU HD22 H 1 0.585 0.030 . 1 . . . . 14 LEU HD2 . 10280 1 89 . 1 1 14 14 LEU HD23 H 1 0.585 0.030 . 1 . . . . 14 LEU HD2 . 10280 1 90 . 1 1 14 14 LEU HG H 1 0.913 0.030 . 1 . . . . 14 LEU HG . 10280 1 91 . 1 1 14 14 LEU C C 13 175.968 0.300 . 1 . . . . 14 LEU C . 10280 1 92 . 1 1 14 14 LEU CA C 13 54.268 0.300 . 1 . . . . 14 LEU CA . 10280 1 93 . 1 1 14 14 LEU CB C 13 47.727 0.300 . 1 . . . . 14 LEU CB . 10280 1 94 . 1 1 14 14 LEU CD1 C 13 24.366 0.300 . 2 . . . . 14 LEU CD1 . 10280 1 95 . 1 1 14 14 LEU CD2 C 13 23.197 0.300 . 2 . . . . 14 LEU CD2 . 10280 1 96 . 1 1 14 14 LEU CG C 13 26.669 0.300 . 1 . . . . 14 LEU CG . 10280 1 97 . 1 1 14 14 LEU N N 15 121.668 0.300 . 1 . . . . 14 LEU N . 10280 1 98 . 1 1 15 15 MET H H 1 8.103 0.030 . 1 . . . . 15 MET H . 10280 1 99 . 1 1 15 15 MET HA H 1 5.103 0.030 . 1 . . . . 15 MET HA . 10280 1 100 . 1 1 15 15 MET HB2 H 1 2.053 0.030 . 2 . . . . 15 MET HB2 . 10280 1 101 . 1 1 15 15 MET HB3 H 1 1.920 0.030 . 2 . . . . 15 MET HB3 . 10280 1 102 . 1 1 15 15 MET HE1 H 1 1.753 0.030 . 1 . . . . 15 MET HE . 10280 1 103 . 1 1 15 15 MET HE2 H 1 1.753 0.030 . 1 . . . . 15 MET HE . 10280 1 104 . 1 1 15 15 MET HE3 H 1 1.753 0.030 . 1 . . . . 15 MET HE . 10280 1 105 . 1 1 15 15 MET HG2 H 1 2.290 0.030 . 2 . . . . 15 MET HG2 . 10280 1 106 . 1 1 15 15 MET HG3 H 1 2.023 0.030 . 2 . . . . 15 MET HG3 . 10280 1 107 . 1 1 15 15 MET C C 13 174.839 0.300 . 1 . . . . 15 MET C . 10280 1 108 . 1 1 15 15 MET CA C 13 54.813 0.300 . 1 . . . . 15 MET CA . 10280 1 109 . 1 1 15 15 MET CB C 13 34.934 0.300 . 1 . . . . 15 MET CB . 10280 1 110 . 1 1 15 15 MET CE C 13 17.395 0.300 . 1 . . . . 15 MET CE . 10280 1 111 . 1 1 15 15 MET CG C 13 32.425 0.300 . 1 . . . . 15 MET CG . 10280 1 112 . 1 1 15 15 MET N N 15 117.896 0.300 . 1 . . . . 15 MET N . 10280 1 113 . 1 1 16 16 LYS H H 1 9.654 0.030 . 1 . . . . 16 LYS H . 10280 1 114 . 1 1 16 16 LYS HA H 1 5.183 0.030 . 1 . . . . 16 LYS HA . 10280 1 115 . 1 1 16 16 LYS HB2 H 1 1.550 0.030 . 2 . . . . 16 LYS HB2 . 10280 1 116 . 1 1 16 16 LYS HB3 H 1 1.263 0.030 . 2 . . . . 16 LYS HB3 . 10280 1 117 . 1 1 16 16 LYS HD2 H 1 0.804 0.030 . 2 . . . . 16 LYS HD2 . 10280 1 118 . 1 1 16 16 LYS HD3 H 1 0.353 0.030 . 2 . . . . 16 LYS HD3 . 10280 1 119 . 1 1 16 16 LYS HE2 H 1 2.023 0.030 . 2 . . . . 16 LYS HE2 . 10280 1 120 . 1 1 16 16 LYS HE3 H 1 1.703 0.030 . 2 . . . . 16 LYS HE3 . 10280 1 121 . 1 1 16 16 LYS HG2 H 1 1.063 0.030 . 2 . . . . 16 LYS HG2 . 10280 1 122 . 1 1 16 16 LYS HG3 H 1 0.803 0.030 . 2 . . . . 16 LYS HG3 . 10280 1 123 . 1 1 16 16 LYS C C 13 175.411 0.300 . 1 . . . . 16 LYS C . 10280 1 124 . 1 1 16 16 LYS CA C 13 54.004 0.300 . 1 . . . . 16 LYS CA . 10280 1 125 . 1 1 16 16 LYS CB C 13 36.625 0.300 . 1 . . . . 16 LYS CB . 10280 1 126 . 1 1 16 16 LYS CD C 13 28.889 0.300 . 1 . . . . 16 LYS CD . 10280 1 127 . 1 1 16 16 LYS CE C 13 41.883 0.300 . 1 . . . . 16 LYS CE . 10280 1 128 . 1 1 16 16 LYS CG C 13 25.153 0.300 . 1 . . . . 16 LYS CG . 10280 1 129 . 1 1 16 16 LYS N N 15 124.049 0.300 . 1 . . . . 16 LYS N . 10280 1 130 . 1 1 17 17 TYR H H 1 8.411 0.030 . 1 . . . . 17 TYR H . 10280 1 131 . 1 1 17 17 TYR HA H 1 3.393 0.030 . 1 . . . . 17 TYR HA . 10280 1 132 . 1 1 17 17 TYR HB2 H 1 2.003 0.030 . 2 . . . . 17 TYR HB2 . 10280 1 133 . 1 1 17 17 TYR HB3 H 1 0.594 0.030 . 2 . . . . 17 TYR HB3 . 10280 1 134 . 1 1 17 17 TYR HD1 H 1 5.543 0.030 . 1 . . . . 17 TYR HD1 . 10280 1 135 . 1 1 17 17 TYR HD2 H 1 5.543 0.030 . 1 . . . . 17 TYR HD2 . 10280 1 136 . 1 1 17 17 TYR HE1 H 1 6.423 0.030 . 1 . . . . 17 TYR HE1 . 10280 1 137 . 1 1 17 17 TYR HE2 H 1 6.423 0.030 . 1 . . . . 17 TYR HE2 . 10280 1 138 . 1 1 17 17 TYR C C 13 175.570 0.300 . 1 . . . . 17 TYR C . 10280 1 139 . 1 1 17 17 TYR CA C 13 59.388 0.300 . 1 . . . . 17 TYR CA . 10280 1 140 . 1 1 17 17 TYR CB C 13 37.395 0.300 . 1 . . . . 17 TYR CB . 10280 1 141 . 1 1 17 17 TYR CD1 C 13 132.012 0.300 . 1 . . . . 17 TYR CD1 . 10280 1 142 . 1 1 17 17 TYR CD2 C 13 132.012 0.300 . 1 . . . . 17 TYR CD2 . 10280 1 143 . 1 1 17 17 TYR CE1 C 13 117.575 0.300 . 1 . . . . 17 TYR CE1 . 10280 1 144 . 1 1 17 17 TYR CE2 C 13 117.575 0.300 . 1 . . . . 17 TYR CE2 . 10280 1 145 . 1 1 17 17 TYR N N 15 130.520 0.300 . 1 . . . . 17 TYR N . 10280 1 146 . 1 1 18 18 THR H H 1 6.845 0.030 . 1 . . . . 18 THR H . 10280 1 147 . 1 1 18 18 THR HA H 1 4.103 0.030 . 1 . . . . 18 THR HA . 10280 1 148 . 1 1 18 18 THR HB H 1 3.842 0.030 . 1 . . . . 18 THR HB . 10280 1 149 . 1 1 18 18 THR HG21 H 1 1.013 0.030 . 1 . . . . 18 THR HG2 . 10280 1 150 . 1 1 18 18 THR HG22 H 1 1.013 0.030 . 1 . . . . 18 THR HG2 . 10280 1 151 . 1 1 18 18 THR HG23 H 1 1.013 0.030 . 1 . . . . 18 THR HG2 . 10280 1 152 . 1 1 18 18 THR C C 13 172.379 0.300 . 1 . . . . 18 THR C . 10280 1 153 . 1 1 18 18 THR CA C 13 61.939 0.300 . 1 . . . . 18 THR CA . 10280 1 154 . 1 1 18 18 THR CB C 13 69.097 0.300 . 1 . . . . 18 THR CB . 10280 1 155 . 1 1 18 18 THR CG2 C 13 21.194 0.300 . 1 . . . . 18 THR CG2 . 10280 1 156 . 1 1 18 18 THR N N 15 122.314 0.300 . 1 . . . . 18 THR N . 10280 1 157 . 1 1 19 19 ASN H H 1 7.650 0.030 . 1 . . . . 19 ASN H . 10280 1 158 . 1 1 19 19 ASN HA H 1 4.227 0.030 . 1 . . . . 19 ASN HA . 10280 1 159 . 1 1 19 19 ASN HB2 H 1 3.073 0.030 . 1 . . . . 19 ASN HB2 . 10280 1 160 . 1 1 19 19 ASN HB3 H 1 3.073 0.030 . 1 . . . . 19 ASN HB3 . 10280 1 161 . 1 1 19 19 ASN HD21 H 1 7.613 0.030 . 2 . . . . 19 ASN HD21 . 10280 1 162 . 1 1 19 19 ASN HD22 H 1 6.863 0.030 . 2 . . . . 19 ASN HD22 . 10280 1 163 . 1 1 19 19 ASN CA C 13 52.315 0.300 . 1 . . . . 19 ASN CA . 10280 1 164 . 1 1 19 19 ASN CB C 13 38.840 0.300 . 1 . . . . 19 ASN CB . 10280 1 165 . 1 1 19 19 ASN N N 15 116.686 0.300 . 1 . . . . 19 ASN N . 10280 1 166 . 1 1 19 19 ASN ND2 N 15 114.657 0.300 . 1 . . . . 19 ASN ND2 . 10280 1 167 . 1 1 20 20 LEU H H 1 8.088 0.030 . 1 . . . . 20 LEU H . 10280 1 168 . 1 1 20 20 LEU HA H 1 4.200 0.030 . 1 . . . . 20 LEU HA . 10280 1 169 . 1 1 20 20 LEU HB2 H 1 1.714 0.030 . 2 . . . . 20 LEU HB2 . 10280 1 170 . 1 1 20 20 LEU HB3 H 1 1.623 0.030 . 2 . . . . 20 LEU HB3 . 10280 1 171 . 1 1 20 20 LEU HD11 H 1 0.951 0.030 . 1 . . . . 20 LEU HD1 . 10280 1 172 . 1 1 20 20 LEU HD12 H 1 0.951 0.030 . 1 . . . . 20 LEU HD1 . 10280 1 173 . 1 1 20 20 LEU HD13 H 1 0.951 0.030 . 1 . . . . 20 LEU HD1 . 10280 1 174 . 1 1 20 20 LEU HD21 H 1 0.949 0.030 . 1 . . . . 20 LEU HD2 . 10280 1 175 . 1 1 20 20 LEU HD22 H 1 0.949 0.030 . 1 . . . . 20 LEU HD2 . 10280 1 176 . 1 1 20 20 LEU HD23 H 1 0.949 0.030 . 1 . . . . 20 LEU HD2 . 10280 1 177 . 1 1 20 20 LEU HG H 1 1.703 0.030 . 1 . . . . 20 LEU HG . 10280 1 178 . 1 1 20 20 LEU C C 13 178.460 0.300 . 1 . . . . 20 LEU C . 10280 1 179 . 1 1 20 20 LEU CA C 13 57.769 0.300 . 1 . . . . 20 LEU CA . 10280 1 180 . 1 1 20 20 LEU CB C 13 42.705 0.300 . 1 . . . . 20 LEU CB . 10280 1 181 . 1 1 20 20 LEU CD1 C 13 24.631 0.300 . 2 . . . . 20 LEU CD1 . 10280 1 182 . 1 1 20 20 LEU CD2 C 13 24.341 0.300 . 2 . . . . 20 LEU CD2 . 10280 1 183 . 1 1 20 20 LEU CG C 13 27.086 0.300 . 1 . . . . 20 LEU CG . 10280 1 184 . 1 1 20 20 LEU N N 15 117.127 0.300 . 1 . . . . 20 LEU N . 10280 1 185 . 1 1 21 21 VAL H H 1 8.002 0.030 . 1 . . . . 21 VAL H . 10280 1 186 . 1 1 21 21 VAL HA H 1 3.833 0.030 . 1 . . . . 21 VAL HA . 10280 1 187 . 1 1 21 21 VAL HB H 1 2.093 0.030 . 1 . . . . 21 VAL HB . 10280 1 188 . 1 1 21 21 VAL HG11 H 1 0.923 0.030 . 1 . . . . 21 VAL HG1 . 10280 1 189 . 1 1 21 21 VAL HG12 H 1 0.923 0.030 . 1 . . . . 21 VAL HG1 . 10280 1 190 . 1 1 21 21 VAL HG13 H 1 0.923 0.030 . 1 . . . . 21 VAL HG1 . 10280 1 191 . 1 1 21 21 VAL HG21 H 1 0.913 0.030 . 1 . . . . 21 VAL HG2 . 10280 1 192 . 1 1 21 21 VAL HG22 H 1 0.913 0.030 . 1 . . . . 21 VAL HG2 . 10280 1 193 . 1 1 21 21 VAL HG23 H 1 0.913 0.030 . 1 . . . . 21 VAL HG2 . 10280 1 194 . 1 1 21 21 VAL C C 13 177.886 0.300 . 1 . . . . 21 VAL C . 10280 1 195 . 1 1 21 21 VAL CA C 13 65.105 0.300 . 1 . . . . 21 VAL CA . 10280 1 196 . 1 1 21 21 VAL CB C 13 32.173 0.300 . 1 . . . . 21 VAL CB . 10280 1 197 . 1 1 21 21 VAL CG1 C 13 21.555 0.300 . 2 . . . . 21 VAL CG1 . 10280 1 198 . 1 1 21 21 VAL CG2 C 13 21.406 0.300 . 2 . . . . 21 VAL CG2 . 10280 1 199 . 1 1 21 21 VAL N N 15 118.036 0.300 . 1 . . . . 21 VAL N . 10280 1 200 . 1 1 22 22 THR H H 1 8.102 0.030 . 1 . . . . 22 THR H . 10280 1 201 . 1 1 22 22 THR HA H 1 4.123 0.030 . 1 . . . . 22 THR HA . 10280 1 202 . 1 1 22 22 THR HB H 1 4.071 0.030 . 1 . . . . 22 THR HB . 10280 1 203 . 1 1 22 22 THR HG21 H 1 1.133 0.030 . 1 . . . . 22 THR HG2 . 10280 1 204 . 1 1 22 22 THR HG22 H 1 1.133 0.030 . 1 . . . . 22 THR HG2 . 10280 1 205 . 1 1 22 22 THR HG23 H 1 1.133 0.030 . 1 . . . . 22 THR HG2 . 10280 1 206 . 1 1 22 22 THR C C 13 175.837 0.300 . 1 . . . . 22 THR C . 10280 1 207 . 1 1 22 22 THR CA C 13 63.117 0.300 . 1 . . . . 22 THR CA . 10280 1 208 . 1 1 22 22 THR CB C 13 69.169 0.300 . 1 . . . . 22 THR CB . 10280 1 209 . 1 1 22 22 THR CG2 C 13 22.310 0.300 . 1 . . . . 22 THR CG2 . 10280 1 210 . 1 1 22 22 THR N N 15 111.664 0.300 . 1 . . . . 22 THR N . 10280 1 211 . 1 1 23 23 GLY H H 1 7.961 0.030 . 1 . . . . 23 GLY H . 10280 1 212 . 1 1 23 23 GLY HA2 H 1 4.014 0.030 . 2 . . . . 23 GLY HA2 . 10280 1 213 . 1 1 23 23 GLY HA3 H 1 3.533 0.030 . 2 . . . . 23 GLY HA3 . 10280 1 214 . 1 1 23 23 GLY C C 13 174.703 0.300 . 1 . . . . 23 GLY C . 10280 1 215 . 1 1 23 23 GLY CA C 13 46.104 0.300 . 1 . . . . 23 GLY CA . 10280 1 216 . 1 1 23 23 GLY N N 15 109.668 0.300 . 1 . . . . 23 GLY N . 10280 1 217 . 1 1 24 24 TRP H H 1 8.990 0.030 . 1 . . . . 24 TRP H . 10280 1 218 . 1 1 24 24 TRP HA H 1 4.682 0.030 . 1 . . . . 24 TRP HA . 10280 1 219 . 1 1 24 24 TRP HB2 H 1 3.023 0.030 . 2 . . . . 24 TRP HB2 . 10280 1 220 . 1 1 24 24 TRP HB3 H 1 3.113 0.030 . 2 . . . . 24 TRP HB3 . 10280 1 221 . 1 1 24 24 TRP HD1 H 1 7.483 0.030 . 1 . . . . 24 TRP HD1 . 10280 1 222 . 1 1 24 24 TRP HE1 H 1 10.341 0.030 . 1 . . . . 24 TRP HE1 . 10280 1 223 . 1 1 24 24 TRP HE3 H 1 6.990 0.030 . 1 . . . . 24 TRP HE3 . 10280 1 224 . 1 1 24 24 TRP HH2 H 1 6.695 0.030 . 1 . . . . 24 TRP HH2 . 10280 1 225 . 1 1 24 24 TRP HZ2 H 1 7.278 0.030 . 1 . . . . 24 TRP HZ2 . 10280 1 226 . 1 1 24 24 TRP HZ3 H 1 6.772 0.030 . 1 . . . . 24 TRP HZ3 . 10280 1 227 . 1 1 24 24 TRP C C 13 176.262 0.300 . 1 . . . . 24 TRP C . 10280 1 228 . 1 1 24 24 TRP CA C 13 57.117 0.300 . 1 . . . . 24 TRP CA . 10280 1 229 . 1 1 24 24 TRP CB C 13 29.896 0.300 . 1 . . . . 24 TRP CB . 10280 1 230 . 1 1 24 24 TRP CD1 C 13 128.108 0.300 . 1 . . . . 24 TRP CD1 . 10280 1 231 . 1 1 24 24 TRP CE3 C 13 119.716 0.300 . 1 . . . . 24 TRP CE3 . 10280 1 232 . 1 1 24 24 TRP CH2 C 13 123.539 0.300 . 1 . . . . 24 TRP CH2 . 10280 1 233 . 1 1 24 24 TRP CZ2 C 13 114.649 0.300 . 1 . . . . 24 TRP CZ2 . 10280 1 234 . 1 1 24 24 TRP CZ3 C 13 123.381 0.300 . 1 . . . . 24 TRP CZ3 . 10280 1 235 . 1 1 24 24 TRP N N 15 127.098 0.300 . 1 . . . . 24 TRP N . 10280 1 236 . 1 1 24 24 TRP NE1 N 15 131.316 0.300 . 1 . . . . 24 TRP NE1 . 10280 1 237 . 1 1 25 25 GLN H H 1 8.880 0.030 . 1 . . . . 25 GLN H . 10280 1 238 . 1 1 25 25 GLN HA H 1 4.803 0.030 . 1 . . . . 25 GLN HA . 10280 1 239 . 1 1 25 25 GLN HB2 H 1 2.024 0.030 . 2 . . . . 25 GLN HB2 . 10280 1 240 . 1 1 25 25 GLN HB3 H 1 1.773 0.030 . 2 . . . . 25 GLN HB3 . 10280 1 241 . 1 1 25 25 GLN HE21 H 1 7.663 0.030 . 2 . . . . 25 GLN HE21 . 10280 1 242 . 1 1 25 25 GLN HE22 H 1 6.953 0.030 . 2 . . . . 25 GLN HE22 . 10280 1 243 . 1 1 25 25 GLN HG2 H 1 2.227 0.030 . 1 . . . . 25 GLN HG2 . 10280 1 244 . 1 1 25 25 GLN HG3 H 1 2.227 0.030 . 1 . . . . 25 GLN HG3 . 10280 1 245 . 1 1 25 25 GLN C C 13 175.233 0.300 . 1 . . . . 25 GLN C . 10280 1 246 . 1 1 25 25 GLN CA C 13 54.004 0.300 . 1 . . . . 25 GLN CA . 10280 1 247 . 1 1 25 25 GLN CB C 13 32.714 0.300 . 1 . . . . 25 GLN CB . 10280 1 248 . 1 1 25 25 GLN CG C 13 33.906 0.300 . 1 . . . . 25 GLN CG . 10280 1 249 . 1 1 25 25 GLN N N 15 120.673 0.300 . 1 . . . . 25 GLN N . 10280 1 250 . 1 1 25 25 GLN NE2 N 15 113.667 0.300 . 1 . . . . 25 GLN NE2 . 10280 1 251 . 1 1 26 26 TYR H H 1 9.282 0.030 . 1 . . . . 26 TYR H . 10280 1 252 . 1 1 26 26 TYR HA H 1 5.042 0.030 . 1 . . . . 26 TYR HA . 10280 1 253 . 1 1 26 26 TYR HB2 H 1 3.133 0.030 . 2 . . . . 26 TYR HB2 . 10280 1 254 . 1 1 26 26 TYR HB3 H 1 3.013 0.030 . 2 . . . . 26 TYR HB3 . 10280 1 255 . 1 1 26 26 TYR HD1 H 1 7.096 0.030 . 1 . . . . 26 TYR HD1 . 10280 1 256 . 1 1 26 26 TYR HD2 H 1 7.096 0.030 . 1 . . . . 26 TYR HD2 . 10280 1 257 . 1 1 26 26 TYR HE1 H 1 6.597 0.030 . 1 . . . . 26 TYR HE1 . 10280 1 258 . 1 1 26 26 TYR HE2 H 1 6.597 0.030 . 1 . . . . 26 TYR HE2 . 10280 1 259 . 1 1 26 26 TYR C C 13 177.006 0.300 . 1 . . . . 26 TYR C . 10280 1 260 . 1 1 26 26 TYR CA C 13 59.757 0.300 . 1 . . . . 26 TYR CA . 10280 1 261 . 1 1 26 26 TYR CB C 13 39.410 0.300 . 1 . . . . 26 TYR CB . 10280 1 262 . 1 1 26 26 TYR CD1 C 13 132.379 0.300 . 1 . . . . 26 TYR CD1 . 10280 1 263 . 1 1 26 26 TYR CD2 C 13 132.379 0.300 . 1 . . . . 26 TYR CD2 . 10280 1 264 . 1 1 26 26 TYR CE1 C 13 118.630 0.300 . 1 . . . . 26 TYR CE1 . 10280 1 265 . 1 1 26 26 TYR CE2 C 13 118.630 0.300 . 1 . . . . 26 TYR CE2 . 10280 1 266 . 1 1 26 26 TYR N N 15 125.773 0.300 . 1 . . . . 26 TYR N . 10280 1 267 . 1 1 27 27 ARG H H 1 9.334 0.030 . 1 . . . . 27 ARG H . 10280 1 268 . 1 1 27 27 ARG HA H 1 5.062 0.030 . 1 . . . . 27 ARG HA . 10280 1 269 . 1 1 27 27 ARG HB2 H 1 1.644 0.030 . 2 . . . . 27 ARG HB2 . 10280 1 270 . 1 1 27 27 ARG HB3 H 1 1.753 0.030 . 2 . . . . 27 ARG HB3 . 10280 1 271 . 1 1 27 27 ARG HD2 H 1 3.873 0.030 . 2 . . . . 27 ARG HD2 . 10280 1 272 . 1 1 27 27 ARG HD3 H 1 2.973 0.030 . 2 . . . . 27 ARG HD3 . 10280 1 273 . 1 1 27 27 ARG HG2 H 1 1.313 0.030 . 1 . . . . 27 ARG HG2 . 10280 1 274 . 1 1 27 27 ARG HG3 H 1 1.313 0.030 . 1 . . . . 27 ARG HG3 . 10280 1 275 . 1 1 27 27 ARG C C 13 172.334 0.300 . 1 . . . . 27 ARG C . 10280 1 276 . 1 1 27 27 ARG CA C 13 53.230 0.300 . 1 . . . . 27 ARG CA . 10280 1 277 . 1 1 27 27 ARG CB C 13 34.957 0.300 . 1 . . . . 27 ARG CB . 10280 1 278 . 1 1 27 27 ARG CD C 13 43.692 0.300 . 1 . . . . 27 ARG CD . 10280 1 279 . 1 1 27 27 ARG CG C 13 27.245 0.300 . 1 . . . . 27 ARG CG . 10280 1 280 . 1 1 27 27 ARG N N 15 126.344 0.300 . 1 . . . . 27 ARG N . 10280 1 281 . 1 1 28 28 PHE H H 1 8.343 0.030 . 1 . . . . 28 PHE H . 10280 1 282 . 1 1 28 28 PHE HA H 1 4.344 0.030 . 1 . . . . 28 PHE HA . 10280 1 283 . 1 1 28 28 PHE HB2 H 1 2.442 0.030 . 2 . . . . 28 PHE HB2 . 10280 1 284 . 1 1 28 28 PHE HB3 H 1 2.083 0.030 . 2 . . . . 28 PHE HB3 . 10280 1 285 . 1 1 28 28 PHE HD1 H 1 6.103 0.030 . 1 . . . . 28 PHE HD1 . 10280 1 286 . 1 1 28 28 PHE HD2 H 1 6.103 0.030 . 1 . . . . 28 PHE HD2 . 10280 1 287 . 1 1 28 28 PHE HE1 H 1 7.072 0.030 . 1 . . . . 28 PHE HE1 . 10280 1 288 . 1 1 28 28 PHE HE2 H 1 7.072 0.030 . 1 . . . . 28 PHE HE2 . 10280 1 289 . 1 1 28 28 PHE HZ H 1 7.213 0.030 . 1 . . . . 28 PHE HZ . 10280 1 290 . 1 1 28 28 PHE C C 13 173.283 0.300 . 1 . . . . 28 PHE C . 10280 1 291 . 1 1 28 28 PHE CA C 13 57.945 0.300 . 1 . . . . 28 PHE CA . 10280 1 292 . 1 1 28 28 PHE CB C 13 41.143 0.300 . 1 . . . . 28 PHE CB . 10280 1 293 . 1 1 28 28 PHE CD1 C 13 131.355 0.300 . 1 . . . . 28 PHE CD1 . 10280 1 294 . 1 1 28 28 PHE CD2 C 13 131.355 0.300 . 1 . . . . 28 PHE CD2 . 10280 1 295 . 1 1 28 28 PHE CE1 C 13 131.321 0.300 . 1 . . . . 28 PHE CE1 . 10280 1 296 . 1 1 28 28 PHE CE2 C 13 131.321 0.300 . 1 . . . . 28 PHE CE2 . 10280 1 297 . 1 1 28 28 PHE CZ C 13 130.268 0.300 . 1 . . . . 28 PHE CZ . 10280 1 298 . 1 1 28 28 PHE N N 15 121.909 0.300 . 1 . . . . 28 PHE N . 10280 1 299 . 1 1 29 29 PHE H H 1 8.854 0.030 . 1 . . . . 29 PHE H . 10280 1 300 . 1 1 29 29 PHE HA H 1 5.223 0.030 . 1 . . . . 29 PHE HA . 10280 1 301 . 1 1 29 29 PHE HB2 H 1 2.903 0.030 . 2 . . . . 29 PHE HB2 . 10280 1 302 . 1 1 29 29 PHE HB3 H 1 2.653 0.030 . 2 . . . . 29 PHE HB3 . 10280 1 303 . 1 1 29 29 PHE HD1 H 1 7.013 0.030 . 1 . . . . 29 PHE HD1 . 10280 1 304 . 1 1 29 29 PHE HD2 H 1 7.013 0.030 . 1 . . . . 29 PHE HD2 . 10280 1 305 . 1 1 29 29 PHE HE1 H 1 6.743 0.030 . 1 . . . . 29 PHE HE1 . 10280 1 306 . 1 1 29 29 PHE HE2 H 1 6.743 0.030 . 1 . . . . 29 PHE HE2 . 10280 1 307 . 1 1 29 29 PHE HZ H 1 6.083 0.030 . 1 . . . . 29 PHE HZ . 10280 1 308 . 1 1 29 29 PHE C C 13 174.399 0.300 . 1 . . . . 29 PHE C . 10280 1 309 . 1 1 29 29 PHE CA C 13 57.452 0.300 . 1 . . . . 29 PHE CA . 10280 1 310 . 1 1 29 29 PHE CB C 13 43.527 0.300 . 1 . . . . 29 PHE CB . 10280 1 311 . 1 1 29 29 PHE CD1 C 13 132.168 0.300 . 1 . . . . 29 PHE CD1 . 10280 1 312 . 1 1 29 29 PHE CD2 C 13 132.168 0.300 . 1 . . . . 29 PHE CD2 . 10280 1 313 . 1 1 29 29 PHE CE1 C 13 130.439 0.300 . 1 . . . . 29 PHE CE1 . 10280 1 314 . 1 1 29 29 PHE CE2 C 13 130.439 0.300 . 1 . . . . 29 PHE CE2 . 10280 1 315 . 1 1 29 29 PHE CZ C 13 128.745 0.300 . 1 . . . . 29 PHE CZ . 10280 1 316 . 1 1 29 29 PHE N N 15 127.575 0.300 . 1 . . . . 29 PHE N . 10280 1 317 . 1 1 30 30 VAL H H 1 9.228 0.030 . 1 . . . . 30 VAL H . 10280 1 318 . 1 1 30 30 VAL HA H 1 4.711 0.030 . 1 . . . . 30 VAL HA . 10280 1 319 . 1 1 30 30 VAL HB H 1 2.373 0.030 . 1 . . . . 30 VAL HB . 10280 1 320 . 1 1 30 30 VAL HG11 H 1 0.979 0.030 . 1 . . . . 30 VAL HG1 . 10280 1 321 . 1 1 30 30 VAL HG12 H 1 0.979 0.030 . 1 . . . . 30 VAL HG1 . 10280 1 322 . 1 1 30 30 VAL HG13 H 1 0.979 0.030 . 1 . . . . 30 VAL HG1 . 10280 1 323 . 1 1 30 30 VAL HG21 H 1 1.164 0.030 . 1 . . . . 30 VAL HG2 . 10280 1 324 . 1 1 30 30 VAL HG22 H 1 1.164 0.030 . 1 . . . . 30 VAL HG2 . 10280 1 325 . 1 1 30 30 VAL HG23 H 1 1.164 0.030 . 1 . . . . 30 VAL HG2 . 10280 1 326 . 1 1 30 30 VAL C C 13 175.346 0.300 . 1 . . . . 30 VAL C . 10280 1 327 . 1 1 30 30 VAL CA C 13 61.709 0.300 . 1 . . . . 30 VAL CA . 10280 1 328 . 1 1 30 30 VAL CB C 13 36.784 0.300 . 1 . . . . 30 VAL CB . 10280 1 329 . 1 1 30 30 VAL CG1 C 13 20.877 0.300 . 2 . . . . 30 VAL CG1 . 10280 1 330 . 1 1 30 30 VAL CG2 C 13 22.393 0.300 . 2 . . . . 30 VAL CG2 . 10280 1 331 . 1 1 30 30 VAL N N 15 117.913 0.300 . 1 . . . . 30 VAL N . 10280 1 332 . 1 1 31 31 LEU H H 1 9.231 0.030 . 1 . . . . 31 LEU H . 10280 1 333 . 1 1 31 31 LEU HA H 1 4.916 0.030 . 1 . . . . 31 LEU HA . 10280 1 334 . 1 1 31 31 LEU HB2 H 1 2.169 0.030 . 2 . . . . 31 LEU HB2 . 10280 1 335 . 1 1 31 31 LEU HB3 H 1 1.433 0.030 . 2 . . . . 31 LEU HB3 . 10280 1 336 . 1 1 31 31 LEU HD11 H 1 0.923 0.030 . 1 . . . . 31 LEU HD1 . 10280 1 337 . 1 1 31 31 LEU HD12 H 1 0.923 0.030 . 1 . . . . 31 LEU HD1 . 10280 1 338 . 1 1 31 31 LEU HD13 H 1 0.923 0.030 . 1 . . . . 31 LEU HD1 . 10280 1 339 . 1 1 31 31 LEU HD21 H 1 0.852 0.030 . 1 . . . . 31 LEU HD2 . 10280 1 340 . 1 1 31 31 LEU HD22 H 1 0.852 0.030 . 1 . . . . 31 LEU HD2 . 10280 1 341 . 1 1 31 31 LEU HD23 H 1 0.852 0.030 . 1 . . . . 31 LEU HD2 . 10280 1 342 . 1 1 31 31 LEU HG H 1 1.563 0.030 . 1 . . . . 31 LEU HG . 10280 1 343 . 1 1 31 31 LEU C C 13 174.080 0.300 . 1 . . . . 31 LEU C . 10280 1 344 . 1 1 31 31 LEU CA C 13 54.443 0.300 . 1 . . . . 31 LEU CA . 10280 1 345 . 1 1 31 31 LEU CB C 13 43.645 0.300 . 1 . . . . 31 LEU CB . 10280 1 346 . 1 1 31 31 LEU CD1 C 13 25.452 0.300 . 2 . . . . 31 LEU CD1 . 10280 1 347 . 1 1 31 31 LEU CD2 C 13 25.600 0.300 . 2 . . . . 31 LEU CD2 . 10280 1 348 . 1 1 31 31 LEU CG C 13 28.396 0.300 . 1 . . . . 31 LEU CG . 10280 1 349 . 1 1 31 31 LEU N N 15 129.428 0.300 . 1 . . . . 31 LEU N . 10280 1 350 . 1 1 32 32 ASN H H 1 9.033 0.030 . 1 . . . . 32 ASN H . 10280 1 351 . 1 1 32 32 ASN HA H 1 4.859 0.030 . 1 . . . . 32 ASN HA . 10280 1 352 . 1 1 32 32 ASN HB2 H 1 3.173 0.030 . 2 . . . . 32 ASN HB2 . 10280 1 353 . 1 1 32 32 ASN HB3 H 1 2.833 0.030 . 2 . . . . 32 ASN HB3 . 10280 1 354 . 1 1 32 32 ASN HD21 H 1 7.093 0.030 . 2 . . . . 32 ASN HD21 . 10280 1 355 . 1 1 32 32 ASN HD22 H 1 8.154 0.030 . 2 . . . . 32 ASN HD22 . 10280 1 356 . 1 1 32 32 ASN C C 13 175.495 0.300 . 1 . . . . 32 ASN C . 10280 1 357 . 1 1 32 32 ASN CA C 13 51.224 0.300 . 1 . . . . 32 ASN CA . 10280 1 358 . 1 1 32 32 ASN CB C 13 37.894 0.300 . 1 . . . . 32 ASN CB . 10280 1 359 . 1 1 32 32 ASN N N 15 125.852 0.300 . 1 . . . . 32 ASN N . 10280 1 360 . 1 1 32 32 ASN ND2 N 15 113.467 0.300 . 1 . . . . 32 ASN ND2 . 10280 1 361 . 1 1 33 33 ASN H H 1 8.521 0.030 . 1 . . . . 33 ASN H . 10280 1 362 . 1 1 33 33 ASN HA H 1 4.523 0.030 . 1 . . . . 33 ASN HA . 10280 1 363 . 1 1 33 33 ASN HB2 H 1 2.693 0.030 . 2 . . . . 33 ASN HB2 . 10280 1 364 . 1 1 33 33 ASN HB3 H 1 2.782 0.030 . 2 . . . . 33 ASN HB3 . 10280 1 365 . 1 1 33 33 ASN HD21 H 1 7.723 0.030 . 2 . . . . 33 ASN HD21 . 10280 1 366 . 1 1 33 33 ASN HD22 H 1 6.699 0.030 . 2 . . . . 33 ASN HD22 . 10280 1 367 . 1 1 33 33 ASN C C 13 177.156 0.300 . 1 . . . . 33 ASN C . 10280 1 368 . 1 1 33 33 ASN CA C 13 56.608 0.300 . 1 . . . . 33 ASN CA . 10280 1 369 . 1 1 33 33 ASN CB C 13 39.950 0.300 . 1 . . . . 33 ASN CB . 10280 1 370 . 1 1 33 33 ASN N N 15 123.611 0.300 . 1 . . . . 33 ASN N . 10280 1 371 . 1 1 33 33 ASN ND2 N 15 114.247 0.300 . 1 . . . . 33 ASN ND2 . 10280 1 372 . 1 1 34 34 GLU H H 1 8.846 0.030 . 1 . . . . 34 GLU H . 10280 1 373 . 1 1 34 34 GLU HA H 1 4.154 0.030 . 1 . . . . 34 GLU HA . 10280 1 374 . 1 1 34 34 GLU HB2 H 1 2.214 0.030 . 2 . . . . 34 GLU HB2 . 10280 1 375 . 1 1 34 34 GLU HB3 H 1 2.133 0.030 . 2 . . . . 34 GLU HB3 . 10280 1 376 . 1 1 34 34 GLU HG2 H 1 2.363 0.030 . 1 . . . . 34 GLU HG2 . 10280 1 377 . 1 1 34 34 GLU HG3 H 1 2.363 0.030 . 1 . . . . 34 GLU HG3 . 10280 1 378 . 1 1 34 34 GLU C C 13 178.004 0.300 . 1 . . . . 34 GLU C . 10280 1 379 . 1 1 34 34 GLU CA C 13 59.616 0.300 . 1 . . . . 34 GLU CA . 10280 1 380 . 1 1 34 34 GLU CB C 13 29.342 0.300 . 1 . . . . 34 GLU CB . 10280 1 381 . 1 1 34 34 GLU CG C 13 36.537 0.300 . 1 . . . . 34 GLU CG . 10280 1 382 . 1 1 34 34 GLU N N 15 120.221 0.300 . 1 . . . . 34 GLU N . 10280 1 383 . 1 1 35 35 ALA H H 1 7.454 0.030 . 1 . . . . 35 ALA H . 10280 1 384 . 1 1 35 35 ALA HA H 1 4.413 0.030 . 1 . . . . 35 ALA HA . 10280 1 385 . 1 1 35 35 ALA HB1 H 1 1.273 0.030 . 1 . . . . 35 ALA HB . 10280 1 386 . 1 1 35 35 ALA HB2 H 1 1.273 0.030 . 1 . . . . 35 ALA HB . 10280 1 387 . 1 1 35 35 ALA HB3 H 1 1.273 0.030 . 1 . . . . 35 ALA HB . 10280 1 388 . 1 1 35 35 ALA C C 13 177.584 0.300 . 1 . . . . 35 ALA C . 10280 1 389 . 1 1 35 35 ALA CA C 13 51.664 0.300 . 1 . . . . 35 ALA CA . 10280 1 390 . 1 1 35 35 ALA CB C 13 20.214 0.300 . 1 . . . . 35 ALA CB . 10280 1 391 . 1 1 35 35 ALA N N 15 117.808 0.300 . 1 . . . . 35 ALA N . 10280 1 392 . 1 1 36 36 GLY H H 1 7.823 0.030 . 1 . . . . 36 GLY H . 10280 1 393 . 1 1 36 36 GLY HA2 H 1 3.054 0.030 . 2 . . . . 36 GLY HA2 . 10280 1 394 . 1 1 36 36 GLY HA3 H 1 2.883 0.030 . 2 . . . . 36 GLY HA3 . 10280 1 395 . 1 1 36 36 GLY C C 13 173.212 0.300 . 1 . . . . 36 GLY C . 10280 1 396 . 1 1 36 36 GLY CA C 13 46.315 0.300 . 1 . . . . 36 GLY CA . 10280 1 397 . 1 1 36 36 GLY N N 15 108.946 0.300 . 1 . . . . 36 GLY N . 10280 1 398 . 1 1 37 37 LEU H H 1 7.624 0.030 . 1 . . . . 37 LEU H . 10280 1 399 . 1 1 37 37 LEU HA H 1 5.183 0.030 . 1 . . . . 37 LEU HA . 10280 1 400 . 1 1 37 37 LEU HB2 H 1 1.543 0.030 . 2 . . . . 37 LEU HB2 . 10280 1 401 . 1 1 37 37 LEU HB3 H 1 1.323 0.030 . 2 . . . . 37 LEU HB3 . 10280 1 402 . 1 1 37 37 LEU HD11 H 1 0.843 0.030 . 1 . . . . 37 LEU HD1 . 10280 1 403 . 1 1 37 37 LEU HD12 H 1 0.843 0.030 . 1 . . . . 37 LEU HD1 . 10280 1 404 . 1 1 37 37 LEU HD13 H 1 0.843 0.030 . 1 . . . . 37 LEU HD1 . 10280 1 405 . 1 1 37 37 LEU HD21 H 1 0.797 0.030 . 1 . . . . 37 LEU HD2 . 10280 1 406 . 1 1 37 37 LEU HD22 H 1 0.797 0.030 . 1 . . . . 37 LEU HD2 . 10280 1 407 . 1 1 37 37 LEU HD23 H 1 0.797 0.030 . 1 . . . . 37 LEU HD2 . 10280 1 408 . 1 1 37 37 LEU HG H 1 1.365 0.030 . 1 . . . . 37 LEU HG . 10280 1 409 . 1 1 37 37 LEU C C 13 174.513 0.300 . 1 . . . . 37 LEU C . 10280 1 410 . 1 1 37 37 LEU CA C 13 52.948 0.300 . 1 . . . . 37 LEU CA . 10280 1 411 . 1 1 37 37 LEU CB C 13 47.187 0.300 . 1 . . . . 37 LEU CB . 10280 1 412 . 1 1 37 37 LEU CD1 C 13 25.426 0.300 . 2 . . . . 37 LEU CD1 . 10280 1 413 . 1 1 37 37 LEU CD2 C 13 24.016 0.300 . 2 . . . . 37 LEU CD2 . 10280 1 414 . 1 1 37 37 LEU CG C 13 26.073 0.300 . 1 . . . . 37 LEU CG . 10280 1 415 . 1 1 37 37 LEU N N 15 117.397 0.300 . 1 . . . . 37 LEU N . 10280 1 416 . 1 1 38 38 LEU H H 1 8.972 0.030 . 1 . . . . 38 LEU H . 10280 1 417 . 1 1 38 38 LEU HA H 1 5.276 0.030 . 1 . . . . 38 LEU HA . 10280 1 418 . 1 1 38 38 LEU HB2 H 1 2.112 0.030 . 2 . . . . 38 LEU HB2 . 10280 1 419 . 1 1 38 38 LEU HB3 H 1 1.245 0.030 . 2 . . . . 38 LEU HB3 . 10280 1 420 . 1 1 38 38 LEU HD11 H 1 1.281 0.030 . 1 . . . . 38 LEU HD1 . 10280 1 421 . 1 1 38 38 LEU HD12 H 1 1.281 0.030 . 1 . . . . 38 LEU HD1 . 10280 1 422 . 1 1 38 38 LEU HD13 H 1 1.281 0.030 . 1 . . . . 38 LEU HD1 . 10280 1 423 . 1 1 38 38 LEU HD21 H 1 0.979 0.030 . 1 . . . . 38 LEU HD2 . 10280 1 424 . 1 1 38 38 LEU HD22 H 1 0.979 0.030 . 1 . . . . 38 LEU HD2 . 10280 1 425 . 1 1 38 38 LEU HD23 H 1 0.979 0.030 . 1 . . . . 38 LEU HD2 . 10280 1 426 . 1 1 38 38 LEU HG H 1 1.822 0.030 . 1 . . . . 38 LEU HG . 10280 1 427 . 1 1 38 38 LEU C C 13 174.127 0.300 . 1 . . . . 38 LEU C . 10280 1 428 . 1 1 38 38 LEU CA C 13 53.681 0.300 . 1 . . . . 38 LEU CA . 10280 1 429 . 1 1 38 38 LEU CB C 13 45.213 0.300 . 1 . . . . 38 LEU CB . 10280 1 430 . 1 1 38 38 LEU CD1 C 13 23.873 0.300 . 2 . . . . 38 LEU CD1 . 10280 1 431 . 1 1 38 38 LEU CD2 C 13 26.587 0.300 . 2 . . . . 38 LEU CD2 . 10280 1 432 . 1 1 38 38 LEU CG C 13 27.824 0.300 . 1 . . . . 38 LEU CG . 10280 1 433 . 1 1 38 38 LEU N N 15 124.160 0.300 . 1 . . . . 38 LEU N . 10280 1 434 . 1 1 39 39 GLU H H 1 9.173 0.030 . 1 . . . . 39 GLU H . 10280 1 435 . 1 1 39 39 GLU HA H 1 5.273 0.030 . 1 . . . . 39 GLU HA . 10280 1 436 . 1 1 39 39 GLU HB2 H 1 2.242 0.030 . 2 . . . . 39 GLU HB2 . 10280 1 437 . 1 1 39 39 GLU HB3 H 1 1.764 0.030 . 2 . . . . 39 GLU HB3 . 10280 1 438 . 1 1 39 39 GLU HG2 H 1 2.172 0.030 . 2 . . . . 39 GLU HG2 . 10280 1 439 . 1 1 39 39 GLU HG3 H 1 2.263 0.030 . 2 . . . . 39 GLU HG3 . 10280 1 440 . 1 1 39 39 GLU C C 13 175.248 0.300 . 1 . . . . 39 GLU C . 10280 1 441 . 1 1 39 39 GLU CA C 13 54.197 0.300 . 1 . . . . 39 GLU CA . 10280 1 442 . 1 1 39 39 GLU CB C 13 34.193 0.300 . 1 . . . . 39 GLU CB . 10280 1 443 . 1 1 39 39 GLU CG C 13 37.113 0.300 . 1 . . . . 39 GLU CG . 10280 1 444 . 1 1 39 39 GLU N N 15 125.962 0.300 . 1 . . . . 39 GLU N . 10280 1 445 . 1 1 40 40 TYR H H 1 7.981 0.030 . 1 . . . . 40 TYR H . 10280 1 446 . 1 1 40 40 TYR HA H 1 5.583 0.030 . 1 . . . . 40 TYR HA . 10280 1 447 . 1 1 40 40 TYR HB2 H 1 1.553 0.030 . 2 . . . . 40 TYR HB2 . 10280 1 448 . 1 1 40 40 TYR HB3 H 1 1.614 0.030 . 2 . . . . 40 TYR HB3 . 10280 1 449 . 1 1 40 40 TYR HD1 H 1 6.410 0.030 . 1 . . . . 40 TYR HD1 . 10280 1 450 . 1 1 40 40 TYR HD2 H 1 6.410 0.030 . 1 . . . . 40 TYR HD2 . 10280 1 451 . 1 1 40 40 TYR HE1 H 1 6.532 0.030 . 1 . . . . 40 TYR HE1 . 10280 1 452 . 1 1 40 40 TYR HE2 H 1 6.532 0.030 . 1 . . . . 40 TYR HE2 . 10280 1 453 . 1 1 40 40 TYR C C 13 172.055 0.300 . 1 . . . . 40 TYR C . 10280 1 454 . 1 1 40 40 TYR CA C 13 55.288 0.300 . 1 . . . . 40 TYR CA . 10280 1 455 . 1 1 40 40 TYR CB C 13 40.952 0.300 . 1 . . . . 40 TYR CB . 10280 1 456 . 1 1 40 40 TYR CD1 C 13 132.652 0.300 . 1 . . . . 40 TYR CD1 . 10280 1 457 . 1 1 40 40 TYR CD2 C 13 132.652 0.300 . 1 . . . . 40 TYR CD2 . 10280 1 458 . 1 1 40 40 TYR CE1 C 13 117.160 0.300 . 1 . . . . 40 TYR CE1 . 10280 1 459 . 1 1 40 40 TYR CE2 C 13 117.160 0.300 . 1 . . . . 40 TYR CE2 . 10280 1 460 . 1 1 40 40 TYR N N 15 115.007 0.300 . 1 . . . . 40 TYR N . 10280 1 461 . 1 1 41 41 PHE H H 1 9.225 0.030 . 1 . . . . 41 PHE H . 10280 1 462 . 1 1 41 41 PHE HA H 1 4.565 0.030 . 1 . . . . 41 PHE HA . 10280 1 463 . 1 1 41 41 PHE HB2 H 1 3.243 0.030 . 2 . . . . 41 PHE HB2 . 10280 1 464 . 1 1 41 41 PHE HB3 H 1 2.703 0.030 . 2 . . . . 41 PHE HB3 . 10280 1 465 . 1 1 41 41 PHE HD1 H 1 7.213 0.030 . 1 . . . . 41 PHE HD1 . 10280 1 466 . 1 1 41 41 PHE HD2 H 1 7.213 0.030 . 1 . . . . 41 PHE HD2 . 10280 1 467 . 1 1 41 41 PHE HE1 H 1 7.322 0.030 . 1 . . . . 41 PHE HE1 . 10280 1 468 . 1 1 41 41 PHE HE2 H 1 7.322 0.030 . 1 . . . . 41 PHE HE2 . 10280 1 469 . 1 1 41 41 PHE HZ H 1 7.383 0.030 . 1 . . . . 41 PHE HZ . 10280 1 470 . 1 1 41 41 PHE C C 13 176.058 0.300 . 1 . . . . 41 PHE C . 10280 1 471 . 1 1 41 41 PHE CA C 13 55.833 0.300 . 1 . . . . 41 PHE CA . 10280 1 472 . 1 1 41 41 PHE CB C 13 44.221 0.300 . 1 . . . . 41 PHE CB . 10280 1 473 . 1 1 41 41 PHE CD1 C 13 132.548 0.300 . 1 . . . . 41 PHE CD1 . 10280 1 474 . 1 1 41 41 PHE CD2 C 13 132.548 0.300 . 1 . . . . 41 PHE CD2 . 10280 1 475 . 1 1 41 41 PHE CE1 C 13 131.961 0.300 . 1 . . . . 41 PHE CE1 . 10280 1 476 . 1 1 41 41 PHE CE2 C 13 131.961 0.300 . 1 . . . . 41 PHE CE2 . 10280 1 477 . 1 1 41 41 PHE CZ C 13 130.922 0.300 . 1 . . . . 41 PHE CZ . 10280 1 478 . 1 1 41 41 PHE N N 15 117.829 0.300 . 1 . . . . 41 PHE N . 10280 1 479 . 1 1 42 42 VAL H H 1 9.471 0.030 . 1 . . . . 42 VAL H . 10280 1 480 . 1 1 42 42 VAL HA H 1 3.853 0.030 . 1 . . . . 42 VAL HA . 10280 1 481 . 1 1 42 42 VAL HB H 1 2.053 0.030 . 1 . . . . 42 VAL HB . 10280 1 482 . 1 1 42 42 VAL HG11 H 1 1.113 0.030 . 1 . . . . 42 VAL HG1 . 10280 1 483 . 1 1 42 42 VAL HG12 H 1 1.113 0.030 . 1 . . . . 42 VAL HG1 . 10280 1 484 . 1 1 42 42 VAL HG13 H 1 1.113 0.030 . 1 . . . . 42 VAL HG1 . 10280 1 485 . 1 1 42 42 VAL HG21 H 1 1.063 0.030 . 1 . . . . 42 VAL HG2 . 10280 1 486 . 1 1 42 42 VAL HG22 H 1 1.063 0.030 . 1 . . . . 42 VAL HG2 . 10280 1 487 . 1 1 42 42 VAL HG23 H 1 1.063 0.030 . 1 . . . . 42 VAL HG2 . 10280 1 488 . 1 1 42 42 VAL C C 13 174.672 0.300 . 1 . . . . 42 VAL C . 10280 1 489 . 1 1 42 42 VAL CA C 13 66.970 0.300 . 1 . . . . 42 VAL CA . 10280 1 490 . 1 1 42 42 VAL CB C 13 31.809 0.300 . 1 . . . . 42 VAL CB . 10280 1 491 . 1 1 42 42 VAL CG1 C 13 22.064 0.300 . 2 . . . . 42 VAL CG1 . 10280 1 492 . 1 1 42 42 VAL CG2 C 13 21.285 0.300 . 2 . . . . 42 VAL CG2 . 10280 1 493 . 1 1 42 42 VAL N N 15 120.382 0.300 . 1 . . . . 42 VAL N . 10280 1 494 . 1 1 43 43 ASN H H 1 7.201 0.030 . 1 . . . . 43 ASN H . 10280 1 495 . 1 1 43 43 ASN HA H 1 4.691 0.030 . 1 . . . . 43 ASN HA . 10280 1 496 . 1 1 43 43 ASN HB2 H 1 3.443 0.030 . 1 . . . . 43 ASN HB2 . 10280 1 497 . 1 1 43 43 ASN HB3 H 1 3.443 0.030 . 1 . . . . 43 ASN HB3 . 10280 1 498 . 1 1 43 43 ASN HD21 H 1 7.863 0.030 . 2 . . . . 43 ASN HD21 . 10280 1 499 . 1 1 43 43 ASN HD22 H 1 7.193 0.030 . 2 . . . . 43 ASN HD22 . 10280 1 500 . 1 1 43 43 ASN C C 13 173.813 0.300 . 1 . . . . 43 ASN C . 10280 1 501 . 1 1 43 43 ASN CA C 13 51.963 0.300 . 1 . . . . 43 ASN CA . 10280 1 502 . 1 1 43 43 ASN CB C 13 39.657 0.300 . 1 . . . . 43 ASN CB . 10280 1 503 . 1 1 43 43 ASN N N 15 107.815 0.300 . 1 . . . . 43 ASN N . 10280 1 504 . 1 1 43 43 ASN ND2 N 15 115.197 0.300 . 1 . . . . 43 ASN ND2 . 10280 1 505 . 1 1 44 44 GLU H H 1 7.873 0.030 . 1 . . . . 44 GLU H . 10280 1 506 . 1 1 44 44 GLU HA H 1 2.166 0.030 . 1 . . . . 44 GLU HA . 10280 1 507 . 1 1 44 44 GLU HB2 H 1 1.493 0.030 . 2 . . . . 44 GLU HB2 . 10280 1 508 . 1 1 44 44 GLU HB3 H 1 1.173 0.030 . 2 . . . . 44 GLU HB3 . 10280 1 509 . 1 1 44 44 GLU HG2 H 1 1.642 0.030 . 2 . . . . 44 GLU HG2 . 10280 1 510 . 1 1 44 44 GLU HG3 H 1 1.493 0.030 . 2 . . . . 44 GLU HG3 . 10280 1 511 . 1 1 44 44 GLU C C 13 177.815 0.300 . 1 . . . . 44 GLU C . 10280 1 512 . 1 1 44 44 GLU CA C 13 58.507 0.300 . 1 . . . . 44 GLU CA . 10280 1 513 . 1 1 44 44 GLU CB C 13 29.424 0.300 . 1 . . . . 44 GLU CB . 10280 1 514 . 1 1 44 44 GLU CG C 13 35.304 0.300 . 1 . . . . 44 GLU CG . 10280 1 515 . 1 1 44 44 GLU N N 15 118.897 0.300 . 1 . . . . 44 GLU N . 10280 1 516 . 1 1 45 45 GLN H H 1 8.355 0.030 . 1 . . . . 45 GLN H . 10280 1 517 . 1 1 45 45 GLN HA H 1 3.902 0.030 . 1 . . . . 45 GLN HA . 10280 1 518 . 1 1 45 45 GLN HB2 H 1 1.983 0.030 . 1 . . . . 45 GLN HB2 . 10280 1 519 . 1 1 45 45 GLN HB3 H 1 1.983 0.030 . 1 . . . . 45 GLN HB3 . 10280 1 520 . 1 1 45 45 GLN HE21 H 1 7.533 0.030 . 2 . . . . 45 GLN HE21 . 10280 1 521 . 1 1 45 45 GLN HE22 H 1 6.843 0.030 . 2 . . . . 45 GLN HE22 . 10280 1 522 . 1 1 45 45 GLN HG2 H 1 2.332 0.030 . 2 . . . . 45 GLN HG2 . 10280 1 523 . 1 1 45 45 GLN HG3 H 1 2.441 0.030 . 2 . . . . 45 GLN HG3 . 10280 1 524 . 1 1 45 45 GLN C C 13 176.991 0.300 . 1 . . . . 45 GLN C . 10280 1 525 . 1 1 45 45 GLN CA C 13 58.173 0.300 . 1 . . . . 45 GLN CA . 10280 1 526 . 1 1 45 45 GLN CB C 13 27.451 0.300 . 1 . . . . 45 GLN CB . 10280 1 527 . 1 1 45 45 GLN CG C 13 34.152 0.300 . 1 . . . . 45 GLN CG . 10280 1 528 . 1 1 45 45 GLN N N 15 117.878 0.300 . 1 . . . . 45 GLN N . 10280 1 529 . 1 1 45 45 GLN NE2 N 15 112.427 0.300 . 1 . . . . 45 GLN NE2 . 10280 1 530 . 1 1 46 46 SER H H 1 7.341 0.030 . 1 . . . . 46 SER H . 10280 1 531 . 1 1 46 46 SER HA H 1 4.574 0.030 . 1 . . . . 46 SER HA . 10280 1 532 . 1 1 46 46 SER HB2 H 1 4.153 0.030 . 2 . . . . 46 SER HB2 . 10280 1 533 . 1 1 46 46 SER HB3 H 1 3.873 0.030 . 2 . . . . 46 SER HB3 . 10280 1 534 . 1 1 46 46 SER C C 13 174.483 0.300 . 1 . . . . 46 SER C . 10280 1 535 . 1 1 46 46 SER CA C 13 58.420 0.300 . 1 . . . . 46 SER CA . 10280 1 536 . 1 1 46 46 SER CB C 13 63.346 0.300 . 1 . . . . 46 SER CB . 10280 1 537 . 1 1 46 46 SER N N 15 113.234 0.300 . 1 . . . . 46 SER N . 10280 1 538 . 1 1 47 47 ARG H H 1 6.988 0.030 . 1 . . . . 47 ARG H . 10280 1 539 . 1 1 47 47 ARG HA H 1 2.712 0.030 . 1 . . . . 47 ARG HA . 10280 1 540 . 1 1 47 47 ARG HB2 H 1 1.443 0.030 . 2 . . . . 47 ARG HB2 . 10280 1 541 . 1 1 47 47 ARG HB3 H 1 1.163 0.030 . 2 . . . . 47 ARG HB3 . 10280 1 542 . 1 1 47 47 ARG HD2 H 1 2.955 0.030 . 2 . . . . 47 ARG HD2 . 10280 1 543 . 1 1 47 47 ARG HD3 H 1 2.785 0.030 . 2 . . . . 47 ARG HD3 . 10280 1 544 . 1 1 47 47 ARG HG2 H 1 1.353 0.030 . 2 . . . . 47 ARG HG2 . 10280 1 545 . 1 1 47 47 ARG HG3 H 1 1.062 0.030 . 2 . . . . 47 ARG HG3 . 10280 1 546 . 1 1 47 47 ARG C C 13 174.006 0.300 . 1 . . . . 47 ARG C . 10280 1 547 . 1 1 47 47 ARG CA C 13 57.100 0.300 . 1 . . . . 47 ARG CA . 10280 1 548 . 1 1 47 47 ARG CB C 13 29.383 0.300 . 1 . . . . 47 ARG CB . 10280 1 549 . 1 1 47 47 ARG CD C 13 43.963 0.300 . 1 . . . . 47 ARG CD . 10280 1 550 . 1 1 47 47 ARG CG C 13 25.106 0.300 . 1 . . . . 47 ARG CG . 10280 1 551 . 1 1 47 47 ARG N N 15 118.127 0.300 . 1 . . . . 47 ARG N . 10280 1 552 . 1 1 48 48 ASN H H 1 8.053 0.030 . 1 . . . . 48 ASN H . 10280 1 553 . 1 1 48 48 ASN HA H 1 4.830 0.030 . 1 . . . . 48 ASN HA . 10280 1 554 . 1 1 48 48 ASN HB2 H 1 2.815 0.030 . 2 . . . . 48 ASN HB2 . 10280 1 555 . 1 1 48 48 ASN HB3 H 1 2.763 0.030 . 2 . . . . 48 ASN HB3 . 10280 1 556 . 1 1 48 48 ASN HD21 H 1 6.793 0.030 . 2 . . . . 48 ASN HD21 . 10280 1 557 . 1 1 48 48 ASN HD22 H 1 7.503 0.030 . 2 . . . . 48 ASN HD22 . 10280 1 558 . 1 1 48 48 ASN C C 13 175.310 0.300 . 1 . . . . 48 ASN C . 10280 1 559 . 1 1 48 48 ASN CA C 13 52.913 0.300 . 1 . . . . 48 ASN CA . 10280 1 560 . 1 1 48 48 ASN CB C 13 37.853 0.300 . 1 . . . . 48 ASN CB . 10280 1 561 . 1 1 48 48 ASN N N 15 117.017 0.300 . 1 . . . . 48 ASN N . 10280 1 562 . 1 1 48 48 ASN ND2 N 15 112.517 0.300 . 1 . . . . 48 ASN ND2 . 10280 1 563 . 1 1 49 49 GLN H H 1 7.581 0.030 . 1 . . . . 49 GLN H . 10280 1 564 . 1 1 49 49 GLN HA H 1 4.544 0.030 . 1 . . . . 49 GLN HA . 10280 1 565 . 1 1 49 49 GLN HB2 H 1 2.413 0.030 . 2 . . . . 49 GLN HB2 . 10280 1 566 . 1 1 49 49 GLN HB3 H 1 2.213 0.030 . 2 . . . . 49 GLN HB3 . 10280 1 567 . 1 1 49 49 GLN HG2 H 1 2.413 0.030 . 1 . . . . 49 GLN HG2 . 10280 1 568 . 1 1 49 49 GLN HG3 H 1 2.413 0.030 . 1 . . . . 49 GLN HG3 . 10280 1 569 . 1 1 49 49 GLN C C 13 174.795 0.300 . 1 . . . . 49 GLN C . 10280 1 570 . 1 1 49 49 GLN CA C 13 54.555 0.300 . 1 . . . . 49 GLN CA . 10280 1 571 . 1 1 49 49 GLN CB C 13 29.941 0.300 . 1 . . . . 49 GLN CB . 10280 1 572 . 1 1 49 49 GLN CG C 13 33.906 0.300 . 1 . . . . 49 GLN CG . 10280 1 573 . 1 1 49 49 GLN N N 15 120.241 0.300 . 1 . . . . 49 GLN N . 10280 1 574 . 1 1 50 50 LYS H H 1 8.173 0.030 . 1 . . . . 50 LYS H . 10280 1 575 . 1 1 50 50 LYS HA H 1 4.563 0.030 . 1 . . . . 50 LYS HA . 10280 1 576 . 1 1 50 50 LYS HB2 H 1 1.760 0.030 . 2 . . . . 50 LYS HB2 . 10280 1 577 . 1 1 50 50 LYS HB3 H 1 1.793 0.030 . 2 . . . . 50 LYS HB3 . 10280 1 578 . 1 1 50 50 LYS HD2 H 1 1.704 0.030 . 1 . . . . 50 LYS HD2 . 10280 1 579 . 1 1 50 50 LYS HD3 H 1 1.704 0.030 . 1 . . . . 50 LYS HD3 . 10280 1 580 . 1 1 50 50 LYS HE2 H 1 3.015 0.030 . 1 . . . . 50 LYS HE2 . 10280 1 581 . 1 1 50 50 LYS HE3 H 1 3.015 0.030 . 1 . . . . 50 LYS HE3 . 10280 1 582 . 1 1 50 50 LYS HG2 H 1 1.544 0.030 . 1 . . . . 50 LYS HG2 . 10280 1 583 . 1 1 50 50 LYS HG3 H 1 1.544 0.030 . 1 . . . . 50 LYS HG3 . 10280 1 584 . 1 1 50 50 LYS C C 13 175.314 0.300 . 1 . . . . 50 LYS C . 10280 1 585 . 1 1 50 50 LYS CA C 13 55.270 0.300 . 1 . . . . 50 LYS CA . 10280 1 586 . 1 1 50 50 LYS CB C 13 32.179 0.300 . 1 . . . . 50 LYS CB . 10280 1 587 . 1 1 50 50 LYS CD C 13 29.322 0.300 . 1 . . . . 50 LYS CD . 10280 1 588 . 1 1 50 50 LYS CE C 13 42.382 0.300 . 1 . . . . 50 LYS CE . 10280 1 589 . 1 1 50 50 LYS CG C 13 24.573 0.300 . 1 . . . . 50 LYS CG . 10280 1 590 . 1 1 50 50 LYS N N 15 120.377 0.300 . 1 . . . . 50 LYS N . 10280 1 591 . 1 1 51 51 PRO HA H 1 3.743 0.030 . 1 . . . . 51 PRO HA . 10280 1 592 . 1 1 51 51 PRO HB2 H 1 1.403 0.030 . 2 . . . . 51 PRO HB2 . 10280 1 593 . 1 1 51 51 PRO HB3 H 1 1.362 0.030 . 2 . . . . 51 PRO HB3 . 10280 1 594 . 1 1 51 51 PRO HD2 H 1 3.583 0.030 . 2 . . . . 51 PRO HD2 . 10280 1 595 . 1 1 51 51 PRO HD3 H 1 3.972 0.030 . 2 . . . . 51 PRO HD3 . 10280 1 596 . 1 1 51 51 PRO HG2 H 1 1.914 0.030 . 2 . . . . 51 PRO HG2 . 10280 1 597 . 1 1 51 51 PRO HG3 H 1 1.763 0.030 . 2 . . . . 51 PRO HG3 . 10280 1 598 . 1 1 51 51 PRO C C 13 177.315 0.300 . 1 . . . . 51 PRO C . 10280 1 599 . 1 1 51 51 PRO CA C 13 62.976 0.300 . 1 . . . . 51 PRO CA . 10280 1 600 . 1 1 51 51 PRO CB C 13 31.685 0.300 . 1 . . . . 51 PRO CB . 10280 1 601 . 1 1 51 51 PRO CD C 13 51.011 0.300 . 1 . . . . 51 PRO CD . 10280 1 602 . 1 1 51 51 PRO CG C 13 27.047 0.300 . 1 . . . . 51 PRO CG . 10280 1 603 . 1 1 52 52 ARG H H 1 8.203 0.030 . 1 . . . . 52 ARG H . 10280 1 604 . 1 1 52 52 ARG HA H 1 3.913 0.030 . 1 . . . . 52 ARG HA . 10280 1 605 . 1 1 52 52 ARG HB2 H 1 1.263 0.030 . 2 . . . . 52 ARG HB2 . 10280 1 606 . 1 1 52 52 ARG HB3 H 1 1.093 0.030 . 2 . . . . 52 ARG HB3 . 10280 1 607 . 1 1 52 52 ARG HD2 H 1 3.189 0.030 . 1 . . . . 52 ARG HD2 . 10280 1 608 . 1 1 52 52 ARG HD3 H 1 3.189 0.030 . 1 . . . . 52 ARG HD3 . 10280 1 609 . 1 1 52 52 ARG HG2 H 1 1.632 0.030 . 2 . . . . 52 ARG HG2 . 10280 1 610 . 1 1 52 52 ARG HG3 H 1 1.543 0.030 . 2 . . . . 52 ARG HG3 . 10280 1 611 . 1 1 52 52 ARG C C 13 176.427 0.300 . 1 . . . . 52 ARG C . 10280 1 612 . 1 1 52 52 ARG CA C 13 55.587 0.300 . 1 . . . . 52 ARG CA . 10280 1 613 . 1 1 52 52 ARG CB C 13 29.547 0.300 . 1 . . . . 52 ARG CB . 10280 1 614 . 1 1 52 52 ARG CD C 13 42.212 0.300 . 1 . . . . 52 ARG CD . 10280 1 615 . 1 1 52 52 ARG CG C 13 26.604 0.300 . 1 . . . . 52 ARG CG . 10280 1 616 . 1 1 52 52 ARG N N 15 121.797 0.300 . 1 . . . . 52 ARG N . 10280 1 617 . 1 1 53 53 GLY H H 1 6.313 0.030 . 1 . . . . 53 GLY H . 10280 1 618 . 1 1 53 53 GLY HA2 H 1 4.022 0.030 . 2 . . . . 53 GLY HA2 . 10280 1 619 . 1 1 53 53 GLY HA3 H 1 3.513 0.030 . 2 . . . . 53 GLY HA3 . 10280 1 620 . 1 1 53 53 GLY C C 13 170.196 0.300 . 1 . . . . 53 GLY C . 10280 1 621 . 1 1 53 53 GLY CA C 13 45.260 0.300 . 1 . . . . 53 GLY CA . 10280 1 622 . 1 1 53 53 GLY N N 15 103.764 0.300 . 1 . . . . 53 GLY N . 10280 1 623 . 1 1 54 54 THR H H 1 7.871 0.030 . 1 . . . . 54 THR H . 10280 1 624 . 1 1 54 54 THR HA H 1 5.193 0.030 . 1 . . . . 54 THR HA . 10280 1 625 . 1 1 54 54 THR HB H 1 3.853 0.030 . 1 . . . . 54 THR HB . 10280 1 626 . 1 1 54 54 THR HG21 H 1 1.152 0.030 . 1 . . . . 54 THR HG2 . 10280 1 627 . 1 1 54 54 THR HG22 H 1 1.152 0.030 . 1 . . . . 54 THR HG2 . 10280 1 628 . 1 1 54 54 THR HG23 H 1 1.152 0.030 . 1 . . . . 54 THR HG2 . 10280 1 629 . 1 1 54 54 THR C C 13 172.599 0.300 . 1 . . . . 54 THR C . 10280 1 630 . 1 1 54 54 THR CA C 13 61.112 0.300 . 1 . . . . 54 THR CA . 10280 1 631 . 1 1 54 54 THR CB C 13 72.539 0.300 . 1 . . . . 54 THR CB . 10280 1 632 . 1 1 54 54 THR CG2 C 13 22.722 0.300 . 1 . . . . 54 THR CG2 . 10280 1 633 . 1 1 54 54 THR N N 15 113.178 0.300 . 1 . . . . 54 THR N . 10280 1 634 . 1 1 55 55 LEU H H 1 9.124 0.030 . 1 . . . . 55 LEU H . 10280 1 635 . 1 1 55 55 LEU HA H 1 4.533 0.030 . 1 . . . . 55 LEU HA . 10280 1 636 . 1 1 55 55 LEU HB2 H 1 1.282 0.030 . 2 . . . . 55 LEU HB2 . 10280 1 637 . 1 1 55 55 LEU HB3 H 1 1.103 0.030 . 2 . . . . 55 LEU HB3 . 10280 1 638 . 1 1 55 55 LEU HD11 H 1 0.142 0.030 . 1 . . . . 55 LEU HD1 . 10280 1 639 . 1 1 55 55 LEU HD12 H 1 0.142 0.030 . 1 . . . . 55 LEU HD1 . 10280 1 640 . 1 1 55 55 LEU HD13 H 1 0.142 0.030 . 1 . . . . 55 LEU HD1 . 10280 1 641 . 1 1 55 55 LEU HD21 H 1 0.163 0.030 . 1 . . . . 55 LEU HD2 . 10280 1 642 . 1 1 55 55 LEU HD22 H 1 0.163 0.030 . 1 . . . . 55 LEU HD2 . 10280 1 643 . 1 1 55 55 LEU HD23 H 1 0.163 0.030 . 1 . . . . 55 LEU HD2 . 10280 1 644 . 1 1 55 55 LEU HG H 1 1.140 0.030 . 1 . . . . 55 LEU HG . 10280 1 645 . 1 1 55 55 LEU C C 13 175.855 0.300 . 1 . . . . 55 LEU C . 10280 1 646 . 1 1 55 55 LEU CA C 13 53.722 0.300 . 1 . . . . 55 LEU CA . 10280 1 647 . 1 1 55 55 LEU CB C 13 45.643 0.300 . 1 . . . . 55 LEU CB . 10280 1 648 . 1 1 55 55 LEU CD1 C 13 24.366 0.300 . 2 . . . . 55 LEU CD1 . 10280 1 649 . 1 1 55 55 LEU CD2 C 13 24.366 0.300 . 2 . . . . 55 LEU CD2 . 10280 1 650 . 1 1 55 55 LEU CG C 13 26.258 0.300 . 1 . . . . 55 LEU CG . 10280 1 651 . 1 1 55 55 LEU N N 15 125.659 0.300 . 1 . . . . 55 LEU N . 10280 1 652 . 1 1 56 56 GLN H H 1 8.601 0.030 . 1 . . . . 56 GLN H . 10280 1 653 . 1 1 56 56 GLN HA H 1 4.413 0.030 . 1 . . . . 56 GLN HA . 10280 1 654 . 1 1 56 56 GLN HB2 H 1 2.223 0.030 . 2 . . . . 56 GLN HB2 . 10280 1 655 . 1 1 56 56 GLN HB3 H 1 2.051 0.030 . 2 . . . . 56 GLN HB3 . 10280 1 656 . 1 1 56 56 GLN HE21 H 1 6.853 0.030 . 2 . . . . 56 GLN HE21 . 10280 1 657 . 1 1 56 56 GLN HE22 H 1 7.527 0.030 . 2 . . . . 56 GLN HE22 . 10280 1 658 . 1 1 56 56 GLN HG2 H 1 2.441 0.030 . 1 . . . . 56 GLN HG2 . 10280 1 659 . 1 1 56 56 GLN HG3 H 1 2.441 0.030 . 1 . . . . 56 GLN HG3 . 10280 1 660 . 1 1 56 56 GLN C C 13 176.892 0.300 . 1 . . . . 56 GLN C . 10280 1 661 . 1 1 56 56 GLN CA C 13 56.132 0.300 . 1 . . . . 56 GLN CA . 10280 1 662 . 1 1 56 56 GLN CB C 13 29.459 0.300 . 1 . . . . 56 GLN CB . 10280 1 663 . 1 1 56 56 GLN CG C 13 34.235 0.300 . 1 . . . . 56 GLN CG . 10280 1 664 . 1 1 56 56 GLN N N 15 124.817 0.300 . 1 . . . . 56 GLN N . 10280 1 665 . 1 1 56 56 GLN NE2 N 15 111.267 0.300 . 1 . . . . 56 GLN NE2 . 10280 1 666 . 1 1 57 57 LEU H H 1 8.224 0.030 . 1 . . . . 57 LEU H . 10280 1 667 . 1 1 57 57 LEU HA H 1 4.193 0.030 . 1 . . . . 57 LEU HA . 10280 1 668 . 1 1 57 57 LEU HB2 H 1 1.653 0.030 . 2 . . . . 57 LEU HB2 . 10280 1 669 . 1 1 57 57 LEU HB3 H 1 1.254 0.030 . 2 . . . . 57 LEU HB3 . 10280 1 670 . 1 1 57 57 LEU HD11 H 1 0.715 0.030 . 1 . . . . 57 LEU HD1 . 10280 1 671 . 1 1 57 57 LEU HD12 H 1 0.715 0.030 . 1 . . . . 57 LEU HD1 . 10280 1 672 . 1 1 57 57 LEU HD13 H 1 0.715 0.030 . 1 . . . . 57 LEU HD1 . 10280 1 673 . 1 1 57 57 LEU HD21 H 1 0.561 0.030 . 1 . . . . 57 LEU HD2 . 10280 1 674 . 1 1 57 57 LEU HD22 H 1 0.561 0.030 . 1 . . . . 57 LEU HD2 . 10280 1 675 . 1 1 57 57 LEU HD23 H 1 0.561 0.030 . 1 . . . . 57 LEU HD2 . 10280 1 676 . 1 1 57 57 LEU HG H 1 1.501 0.030 . 1 . . . . 57 LEU HG . 10280 1 677 . 1 1 57 57 LEU C C 13 177.531 0.300 . 1 . . . . 57 LEU C . 10280 1 678 . 1 1 57 57 LEU CA C 13 55.217 0.300 . 1 . . . . 57 LEU CA . 10280 1 679 . 1 1 57 57 LEU CB C 13 41.219 0.300 . 1 . . . . 57 LEU CB . 10280 1 680 . 1 1 57 57 LEU CD1 C 13 27.327 0.300 . 2 . . . . 57 LEU CD1 . 10280 1 681 . 1 1 57 57 LEU CD2 C 13 22.081 0.300 . 2 . . . . 57 LEU CD2 . 10280 1 682 . 1 1 57 57 LEU CG C 13 27.096 0.300 . 1 . . . . 57 LEU CG . 10280 1 683 . 1 1 57 57 LEU N N 15 123.414 0.300 . 1 . . . . 57 LEU N . 10280 1 684 . 1 1 58 58 ALA H H 1 8.722 0.030 . 1 . . . . 58 ALA H . 10280 1 685 . 1 1 58 58 ALA HA H 1 4.143 0.030 . 1 . . . . 58 ALA HA . 10280 1 686 . 1 1 58 58 ALA HB1 H 1 1.404 0.030 . 1 . . . . 58 ALA HB . 10280 1 687 . 1 1 58 58 ALA HB2 H 1 1.404 0.030 . 1 . . . . 58 ALA HB . 10280 1 688 . 1 1 58 58 ALA HB3 H 1 1.404 0.030 . 1 . . . . 58 ALA HB . 10280 1 689 . 1 1 58 58 ALA C C 13 180.157 0.300 . 1 . . . . 58 ALA C . 10280 1 690 . 1 1 58 58 ALA CA C 13 54.338 0.300 . 1 . . . . 58 ALA CA . 10280 1 691 . 1 1 58 58 ALA CB C 13 17.705 0.300 . 1 . . . . 58 ALA CB . 10280 1 692 . 1 1 58 58 ALA N N 15 123.773 0.300 . 1 . . . . 58 ALA N . 10280 1 693 . 1 1 59 59 GLY H H 1 9.444 0.030 . 1 . . . . 59 GLY H . 10280 1 694 . 1 1 59 59 GLY HA2 H 1 4.113 0.030 . 2 . . . . 59 GLY HA2 . 10280 1 695 . 1 1 59 59 GLY HA3 H 1 3.803 0.030 . 2 . . . . 59 GLY HA3 . 10280 1 696 . 1 1 59 59 GLY C C 13 173.326 0.300 . 1 . . . . 59 GLY C . 10280 1 697 . 1 1 59 59 GLY CA C 13 46.040 0.300 . 1 . . . . 59 GLY CA . 10280 1 698 . 1 1 59 59 GLY N N 15 116.895 0.300 . 1 . . . . 59 GLY N . 10280 1 699 . 1 1 60 60 ALA H H 1 8.022 0.030 . 1 . . . . 60 ALA H . 10280 1 700 . 1 1 60 60 ALA HA H 1 4.683 0.030 . 1 . . . . 60 ALA HA . 10280 1 701 . 1 1 60 60 ALA HB1 H 1 1.363 0.030 . 1 . . . . 60 ALA HB . 10280 1 702 . 1 1 60 60 ALA HB2 H 1 1.363 0.030 . 1 . . . . 60 ALA HB . 10280 1 703 . 1 1 60 60 ALA HB3 H 1 1.363 0.030 . 1 . . . . 60 ALA HB . 10280 1 704 . 1 1 60 60 ALA C C 13 176.132 0.300 . 1 . . . . 60 ALA C . 10280 1 705 . 1 1 60 60 ALA CA C 13 51.893 0.300 . 1 . . . . 60 ALA CA . 10280 1 706 . 1 1 60 60 ALA CB C 13 20.214 0.300 . 1 . . . . 60 ALA CB . 10280 1 707 . 1 1 60 60 ALA N N 15 122.129 0.300 . 1 . . . . 60 ALA N . 10280 1 708 . 1 1 61 61 VAL H H 1 8.370 0.030 . 1 . . . . 61 VAL H . 10280 1 709 . 1 1 61 61 VAL HA H 1 4.362 0.030 . 1 . . . . 61 VAL HA . 10280 1 710 . 1 1 61 61 VAL HB H 1 1.913 0.030 . 1 . . . . 61 VAL HB . 10280 1 711 . 1 1 61 61 VAL HG11 H 1 0.923 0.030 . 1 . . . . 61 VAL HG1 . 10280 1 712 . 1 1 61 61 VAL HG12 H 1 0.923 0.030 . 1 . . . . 61 VAL HG1 . 10280 1 713 . 1 1 61 61 VAL HG13 H 1 0.923 0.030 . 1 . . . . 61 VAL HG1 . 10280 1 714 . 1 1 61 61 VAL HG21 H 1 0.973 0.030 . 1 . . . . 61 VAL HG2 . 10280 1 715 . 1 1 61 61 VAL HG22 H 1 0.973 0.030 . 1 . . . . 61 VAL HG2 . 10280 1 716 . 1 1 61 61 VAL HG23 H 1 0.973 0.030 . 1 . . . . 61 VAL HG2 . 10280 1 717 . 1 1 61 61 VAL C C 13 175.527 0.300 . 1 . . . . 61 VAL C . 10280 1 718 . 1 1 61 61 VAL CA C 13 61.956 0.300 . 1 . . . . 61 VAL CA . 10280 1 719 . 1 1 61 61 VAL CB C 13 35.181 0.300 . 1 . . . . 61 VAL CB . 10280 1 720 . 1 1 61 61 VAL CG1 C 13 21.159 0.300 . 2 . . . . 61 VAL CG1 . 10280 1 721 . 1 1 61 61 VAL CG2 C 13 21.159 0.300 . 2 . . . . 61 VAL CG2 . 10280 1 722 . 1 1 61 61 VAL N N 15 117.717 0.300 . 1 . . . . 61 VAL N . 10280 1 723 . 1 1 62 62 ILE H H 1 9.413 0.030 . 1 . . . . 62 ILE H . 10280 1 724 . 1 1 62 62 ILE HA H 1 5.034 0.030 . 1 . . . . 62 ILE HA . 10280 1 725 . 1 1 62 62 ILE HB H 1 2.154 0.030 . 1 . . . . 62 ILE HB . 10280 1 726 . 1 1 62 62 ILE HD11 H 1 0.823 0.030 . 1 . . . . 62 ILE HD1 . 10280 1 727 . 1 1 62 62 ILE HD12 H 1 0.823 0.030 . 1 . . . . 62 ILE HD1 . 10280 1 728 . 1 1 62 62 ILE HD13 H 1 0.823 0.030 . 1 . . . . 62 ILE HD1 . 10280 1 729 . 1 1 62 62 ILE HG12 H 1 1.603 0.030 . 2 . . . . 62 ILE HG12 . 10280 1 730 . 1 1 62 62 ILE HG13 H 1 1.272 0.030 . 2 . . . . 62 ILE HG13 . 10280 1 731 . 1 1 62 62 ILE HG21 H 1 1.033 0.030 . 1 . . . . 62 ILE HG2 . 10280 1 732 . 1 1 62 62 ILE HG22 H 1 1.033 0.030 . 1 . . . . 62 ILE HG2 . 10280 1 733 . 1 1 62 62 ILE HG23 H 1 1.033 0.030 . 1 . . . . 62 ILE HG2 . 10280 1 734 . 1 1 62 62 ILE C C 13 175.612 0.300 . 1 . . . . 62 ILE C . 10280 1 735 . 1 1 62 62 ILE CA C 13 59.458 0.300 . 1 . . . . 62 ILE CA . 10280 1 736 . 1 1 62 62 ILE CB C 13 37.647 0.300 . 1 . . . . 62 ILE CB . 10280 1 737 . 1 1 62 62 ILE CD1 C 13 14.087 0.300 . 1 . . . . 62 ILE CD1 . 10280 1 738 . 1 1 62 62 ILE CG1 C 13 28.774 0.300 . 1 . . . . 62 ILE CG1 . 10280 1 739 . 1 1 62 62 ILE CG2 C 13 20.054 0.300 . 1 . . . . 62 ILE CG2 . 10280 1 740 . 1 1 62 62 ILE N N 15 130.855 0.300 . 1 . . . . 62 ILE N . 10280 1 741 . 1 1 63 63 SER H H 1 8.941 0.030 . 1 . . . . 63 SER H . 10280 1 742 . 1 1 63 63 SER HA H 1 5.273 0.030 . 1 . . . . 63 SER HA . 10280 1 743 . 1 1 63 63 SER HB2 H 1 3.635 0.030 . 2 . . . . 63 SER HB2 . 10280 1 744 . 1 1 63 63 SER HB3 H 1 3.823 0.030 . 2 . . . . 63 SER HB3 . 10280 1 745 . 1 1 63 63 SER C C 13 172.915 0.300 . 1 . . . . 63 SER C . 10280 1 746 . 1 1 63 63 SER CA C 13 54.567 0.300 . 1 . . . . 63 SER CA . 10280 1 747 . 1 1 63 63 SER CB C 13 64.615 0.300 . 1 . . . . 63 SER CB . 10280 1 748 . 1 1 63 63 SER N N 15 121.239 0.300 . 1 . . . . 63 SER N . 10280 1 749 . 1 1 64 64 PRO HA H 1 4.610 0.030 . 1 . . . . 64 PRO HA . 10280 1 750 . 1 1 64 64 PRO HB2 H 1 2.013 0.030 . 1 . . . . 64 PRO HB2 . 10280 1 751 . 1 1 64 64 PRO HB3 H 1 2.013 0.030 . 1 . . . . 64 PRO HB3 . 10280 1 752 . 1 1 64 64 PRO HD2 H 1 4.034 0.030 . 2 . . . . 64 PRO HD2 . 10280 1 753 . 1 1 64 64 PRO HD3 H 1 3.663 0.030 . 2 . . . . 64 PRO HD3 . 10280 1 754 . 1 1 64 64 PRO HG2 H 1 2.274 0.030 . 2 . . . . 64 PRO HG2 . 10280 1 755 . 1 1 64 64 PRO HG3 H 1 2.018 0.030 . 2 . . . . 64 PRO HG3 . 10280 1 756 . 1 1 64 64 PRO C C 13 175.658 0.300 . 1 . . . . 64 PRO C . 10280 1 757 . 1 1 64 64 PRO CA C 13 62.237 0.300 . 1 . . . . 64 PRO CA . 10280 1 758 . 1 1 64 64 PRO CB C 13 31.521 0.300 . 1 . . . . 64 PRO CB . 10280 1 759 . 1 1 64 64 PRO CD C 13 51.158 0.300 . 1 . . . . 64 PRO CD . 10280 1 760 . 1 1 64 64 PRO CG C 13 27.345 0.300 . 1 . . . . 64 PRO CG . 10280 1 761 . 1 1 65 65 SER H H 1 8.205 0.030 . 1 . . . . 65 SER H . 10280 1 762 . 1 1 65 65 SER HA H 1 4.433 0.030 . 1 . . . . 65 SER HA . 10280 1 763 . 1 1 65 65 SER HB2 H 1 3.823 0.030 . 2 . . . . 65 SER HB2 . 10280 1 764 . 1 1 65 65 SER HB3 H 1 3.912 0.030 . 2 . . . . 65 SER HB3 . 10280 1 765 . 1 1 65 65 SER C C 13 175.569 0.300 . 1 . . . . 65 SER C . 10280 1 766 . 1 1 65 65 SER CA C 13 58.173 0.300 . 1 . . . . 65 SER CA . 10280 1 767 . 1 1 65 65 SER CB C 13 64.204 0.300 . 1 . . . . 65 SER CB . 10280 1 768 . 1 1 65 65 SER N N 15 118.195 0.300 . 1 . . . . 65 SER N . 10280 1 769 . 1 1 66 66 ASP H H 1 8.868 0.030 . 1 . . . . 66 ASP H . 10280 1 770 . 1 1 66 66 ASP HA H 1 4.704 0.030 . 1 . . . . 66 ASP HA . 10280 1 771 . 1 1 66 66 ASP HB2 H 1 2.692 0.030 . 2 . . . . 66 ASP HB2 . 10280 1 772 . 1 1 66 66 ASP HB3 H 1 2.742 0.030 . 2 . . . . 66 ASP HB3 . 10280 1 773 . 1 1 66 66 ASP C C 13 176.976 0.300 . 1 . . . . 66 ASP C . 10280 1 774 . 1 1 66 66 ASP CA C 13 55.129 0.300 . 1 . . . . 66 ASP CA . 10280 1 775 . 1 1 66 66 ASP CB C 13 40.943 0.300 . 1 . . . . 66 ASP CB . 10280 1 776 . 1 1 66 66 ASP N N 15 125.132 0.300 . 1 . . . . 66 ASP N . 10280 1 777 . 1 1 67 67 GLU H H 1 8.565 0.030 . 1 . . . . 67 GLU H . 10280 1 778 . 1 1 67 67 GLU HA H 1 4.212 0.030 . 1 . . . . 67 GLU HA . 10280 1 779 . 1 1 67 67 GLU HB2 H 1 2.080 0.030 . 2 . . . . 67 GLU HB2 . 10280 1 780 . 1 1 67 67 GLU HB3 H 1 1.877 0.030 . 2 . . . . 67 GLU HB3 . 10280 1 781 . 1 1 67 67 GLU HG2 H 1 2.222 0.030 . 1 . . . . 67 GLU HG2 . 10280 1 782 . 1 1 67 67 GLU HG3 H 1 2.222 0.030 . 1 . . . . 67 GLU HG3 . 10280 1 783 . 1 1 67 67 GLU C C 13 175.690 0.300 . 1 . . . . 67 GLU C . 10280 1 784 . 1 1 67 67 GLU CA C 13 57.452 0.300 . 1 . . . . 67 GLU CA . 10280 1 785 . 1 1 67 67 GLU CB C 13 30.904 0.300 . 1 . . . . 67 GLU CB . 10280 1 786 . 1 1 67 67 GLU CG C 13 36.291 0.300 . 1 . . . . 67 GLU CG . 10280 1 787 . 1 1 67 67 GLU N N 15 118.200 0.300 . 1 . . . . 67 GLU N . 10280 1 788 . 1 1 68 68 ASP H H 1 7.561 0.030 . 1 . . . . 68 ASP H . 10280 1 789 . 1 1 68 68 ASP HA H 1 4.643 0.030 . 1 . . . . 68 ASP HA . 10280 1 790 . 1 1 68 68 ASP HB2 H 1 2.923 0.030 . 2 . . . . 68 ASP HB2 . 10280 1 791 . 1 1 68 68 ASP HB3 H 1 2.765 0.030 . 2 . . . . 68 ASP HB3 . 10280 1 792 . 1 1 68 68 ASP C C 13 175.454 0.300 . 1 . . . . 68 ASP C . 10280 1 793 . 1 1 68 68 ASP CA C 13 53.159 0.300 . 1 . . . . 68 ASP CA . 10280 1 794 . 1 1 68 68 ASP CB C 13 42.458 0.300 . 1 . . . . 68 ASP CB . 10280 1 795 . 1 1 68 68 ASP N N 15 116.320 0.300 . 1 . . . . 68 ASP N . 10280 1 796 . 1 1 69 69 SER H H 1 8.194 0.030 . 1 . . . . 69 SER H . 10280 1 797 . 1 1 69 69 SER HA H 1 4.606 0.030 . 1 . . . . 69 SER HA . 10280 1 798 . 1 1 69 69 SER HB2 H 1 3.673 0.030 . 2 . . . . 69 SER HB2 . 10280 1 799 . 1 1 69 69 SER HB3 H 1 3.903 0.030 . 2 . . . . 69 SER HB3 . 10280 1 800 . 1 1 69 69 SER C C 13 172.677 0.300 . 1 . . . . 69 SER C . 10280 1 801 . 1 1 69 69 SER CA C 13 58.507 0.300 . 1 . . . . 69 SER CA . 10280 1 802 . 1 1 69 69 SER CB C 13 64.122 0.300 . 1 . . . . 69 SER CB . 10280 1 803 . 1 1 69 69 SER N N 15 112.245 0.300 . 1 . . . . 69 SER N . 10280 1 804 . 1 1 70 70 HIS H H 1 8.033 0.030 . 1 . . . . 70 HIS H . 10280 1 805 . 1 1 70 70 HIS HA H 1 4.583 0.030 . 1 . . . . 70 HIS HA . 10280 1 806 . 1 1 70 70 HIS HB2 H 1 3.203 0.030 . 2 . . . . 70 HIS HB2 . 10280 1 807 . 1 1 70 70 HIS HB3 H 1 2.846 0.030 . 2 . . . . 70 HIS HB3 . 10280 1 808 . 1 1 70 70 HIS HD2 H 1 6.633 0.030 . 1 . . . . 70 HIS HD2 . 10280 1 809 . 1 1 70 70 HIS HE1 H 1 7.714 0.030 . 1 . . . . 70 HIS HE1 . 10280 1 810 . 1 1 70 70 HIS C C 13 176.560 0.300 . 1 . . . . 70 HIS C . 10280 1 811 . 1 1 70 70 HIS CA C 13 56.720 0.300 . 1 . . . . 70 HIS CA . 10280 1 812 . 1 1 70 70 HIS CB C 13 32.878 0.300 . 1 . . . . 70 HIS CB . 10280 1 813 . 1 1 70 70 HIS CD2 C 13 120.415 0.300 . 1 . . . . 70 HIS CD2 . 10280 1 814 . 1 1 70 70 HIS CE1 C 13 138.637 0.300 . 1 . . . . 70 HIS CE1 . 10280 1 815 . 1 1 70 70 HIS N N 15 114.338 0.300 . 1 . . . . 70 HIS N . 10280 1 816 . 1 1 71 71 THR H H 1 9.261 0.030 . 1 . . . . 71 THR H . 10280 1 817 . 1 1 71 71 THR HA H 1 5.362 0.030 . 1 . . . . 71 THR HA . 10280 1 818 . 1 1 71 71 THR HB H 1 4.273 0.030 . 1 . . . . 71 THR HB . 10280 1 819 . 1 1 71 71 THR HG21 H 1 1.362 0.030 . 1 . . . . 71 THR HG2 . 10280 1 820 . 1 1 71 71 THR HG22 H 1 1.362 0.030 . 1 . . . . 71 THR HG2 . 10280 1 821 . 1 1 71 71 THR HG23 H 1 1.362 0.030 . 1 . . . . 71 THR HG2 . 10280 1 822 . 1 1 71 71 THR C C 13 175.548 0.300 . 1 . . . . 71 THR C . 10280 1 823 . 1 1 71 71 THR CA C 13 63.522 0.300 . 1 . . . . 71 THR CA . 10280 1 824 . 1 1 71 71 THR CB C 13 68.887 0.300 . 1 . . . . 71 THR CB . 10280 1 825 . 1 1 71 71 THR CG2 C 13 21.935 0.300 . 1 . . . . 71 THR CG2 . 10280 1 826 . 1 1 71 71 THR N N 15 121.029 0.300 . 1 . . . . 71 THR N . 10280 1 827 . 1 1 72 72 PHE H H 1 9.830 0.030 . 1 . . . . 72 PHE H . 10280 1 828 . 1 1 72 72 PHE HA H 1 5.160 0.030 . 1 . . . . 72 PHE HA . 10280 1 829 . 1 1 72 72 PHE HB2 H 1 2.953 0.030 . 2 . . . . 72 PHE HB2 . 10280 1 830 . 1 1 72 72 PHE HB3 H 1 2.562 0.030 . 2 . . . . 72 PHE HB3 . 10280 1 831 . 1 1 72 72 PHE HD1 H 1 6.802 0.030 . 1 . . . . 72 PHE HD1 . 10280 1 832 . 1 1 72 72 PHE HD2 H 1 6.802 0.030 . 1 . . . . 72 PHE HD2 . 10280 1 833 . 1 1 72 72 PHE HE1 H 1 6.713 0.030 . 1 . . . . 72 PHE HE1 . 10280 1 834 . 1 1 72 72 PHE HE2 H 1 6.713 0.030 . 1 . . . . 72 PHE HE2 . 10280 1 835 . 1 1 72 72 PHE HZ H 1 6.476 0.030 . 1 . . . . 72 PHE HZ . 10280 1 836 . 1 1 72 72 PHE C C 13 171.195 0.300 . 1 . . . . 72 PHE C . 10280 1 837 . 1 1 72 72 PHE CA C 13 56.326 0.300 . 1 . . . . 72 PHE CA . 10280 1 838 . 1 1 72 72 PHE CB C 13 41.513 0.300 . 1 . . . . 72 PHE CB . 10280 1 839 . 1 1 72 72 PHE CD1 C 13 132.496 0.300 . 1 . . . . 72 PHE CD1 . 10280 1 840 . 1 1 72 72 PHE CD2 C 13 132.496 0.300 . 1 . . . . 72 PHE CD2 . 10280 1 841 . 1 1 72 72 PHE CE1 C 13 130.093 0.300 . 1 . . . . 72 PHE CE1 . 10280 1 842 . 1 1 72 72 PHE CE2 C 13 130.093 0.300 . 1 . . . . 72 PHE CE2 . 10280 1 843 . 1 1 72 72 PHE CZ C 13 129.938 0.300 . 1 . . . . 72 PHE CZ . 10280 1 844 . 1 1 72 72 PHE N N 15 125.021 0.300 . 1 . . . . 72 PHE N . 10280 1 845 . 1 1 73 73 THR H H 1 8.621 0.030 . 1 . . . . 73 THR H . 10280 1 846 . 1 1 73 73 THR HA H 1 5.314 0.030 . 1 . . . . 73 THR HA . 10280 1 847 . 1 1 73 73 THR HB H 1 4.012 0.030 . 1 . . . . 73 THR HB . 10280 1 848 . 1 1 73 73 THR HG21 H 1 1.083 0.030 . 1 . . . . 73 THR HG2 . 10280 1 849 . 1 1 73 73 THR HG22 H 1 1.083 0.030 . 1 . . . . 73 THR HG2 . 10280 1 850 . 1 1 73 73 THR HG23 H 1 1.083 0.030 . 1 . . . . 73 THR HG2 . 10280 1 851 . 1 1 73 73 THR C C 13 173.679 0.300 . 1 . . . . 73 THR C . 10280 1 852 . 1 1 73 73 THR CA C 13 59.851 0.300 . 1 . . . . 73 THR CA . 10280 1 853 . 1 1 73 73 THR CB C 13 71.697 0.300 . 1 . . . . 73 THR CB . 10280 1 854 . 1 1 73 73 THR CG2 C 13 21.899 0.300 . 1 . . . . 73 THR CG2 . 10280 1 855 . 1 1 73 73 THR N N 15 111.542 0.300 . 1 . . . . 73 THR N . 10280 1 856 . 1 1 74 74 VAL H H 1 8.824 0.030 . 1 . . . . 74 VAL H . 10280 1 857 . 1 1 74 74 VAL HA H 1 4.382 0.030 . 1 . . . . 74 VAL HA . 10280 1 858 . 1 1 74 74 VAL HB H 1 1.840 0.030 . 1 . . . . 74 VAL HB . 10280 1 859 . 1 1 74 74 VAL HG11 H 1 0.632 0.030 . 1 . . . . 74 VAL HG1 . 10280 1 860 . 1 1 74 74 VAL HG12 H 1 0.632 0.030 . 1 . . . . 74 VAL HG1 . 10280 1 861 . 1 1 74 74 VAL HG13 H 1 0.632 0.030 . 1 . . . . 74 VAL HG1 . 10280 1 862 . 1 1 74 74 VAL HG21 H 1 0.883 0.030 . 1 . . . . 74 VAL HG2 . 10280 1 863 . 1 1 74 74 VAL HG22 H 1 0.883 0.030 . 1 . . . . 74 VAL HG2 . 10280 1 864 . 1 1 74 74 VAL HG23 H 1 0.883 0.030 . 1 . . . . 74 VAL HG2 . 10280 1 865 . 1 1 74 74 VAL C C 13 173.692 0.300 . 1 . . . . 74 VAL C . 10280 1 866 . 1 1 74 74 VAL CA C 13 61.569 0.300 . 1 . . . . 74 VAL CA . 10280 1 867 . 1 1 74 74 VAL CB C 13 33.289 0.300 . 1 . . . . 74 VAL CB . 10280 1 868 . 1 1 74 74 VAL CG1 C 13 21.359 0.300 . 2 . . . . 74 VAL CG1 . 10280 1 869 . 1 1 74 74 VAL CG2 C 13 20.959 0.300 . 2 . . . . 74 VAL CG2 . 10280 1 870 . 1 1 74 74 VAL N N 15 122.814 0.300 . 1 . . . . 74 VAL N . 10280 1 871 . 1 1 75 75 ASN H H 1 8.963 0.030 . 1 . . . . 75 ASN H . 10280 1 872 . 1 1 75 75 ASN HA H 1 5.152 0.030 . 1 . . . . 75 ASN HA . 10280 1 873 . 1 1 75 75 ASN HB2 H 1 2.842 0.030 . 2 . . . . 75 ASN HB2 . 10280 1 874 . 1 1 75 75 ASN HB3 H 1 2.726 0.030 . 2 . . . . 75 ASN HB3 . 10280 1 875 . 1 1 75 75 ASN HD21 H 1 6.982 0.030 . 2 . . . . 75 ASN HD21 . 10280 1 876 . 1 1 75 75 ASN HD22 H 1 6.958 0.030 . 2 . . . . 75 ASN HD22 . 10280 1 877 . 1 1 75 75 ASN C C 13 174.779 0.300 . 1 . . . . 75 ASN C . 10280 1 878 . 1 1 75 75 ASN CA C 13 52.315 0.300 . 1 . . . . 75 ASN CA . 10280 1 879 . 1 1 75 75 ASN CB C 13 39.868 0.300 . 1 . . . . 75 ASN CB . 10280 1 880 . 1 1 75 75 ASN N N 15 126.273 0.300 . 1 . . . . 75 ASN N . 10280 1 881 . 1 1 75 75 ASN ND2 N 15 112.196 0.300 . 1 . . . . 75 ASN ND2 . 10280 1 882 . 1 1 76 76 ALA H H 1 8.923 0.030 . 1 . . . . 76 ALA H . 10280 1 883 . 1 1 76 76 ALA HA H 1 4.353 0.030 . 1 . . . . 76 ALA HA . 10280 1 884 . 1 1 76 76 ALA HB1 H 1 1.598 0.030 . 1 . . . . 76 ALA HB . 10280 1 885 . 1 1 76 76 ALA HB2 H 1 1.598 0.030 . 1 . . . . 76 ALA HB . 10280 1 886 . 1 1 76 76 ALA HB3 H 1 1.598 0.030 . 1 . . . . 76 ALA HB . 10280 1 887 . 1 1 76 76 ALA C C 13 178.697 0.300 . 1 . . . . 76 ALA C . 10280 1 888 . 1 1 76 76 ALA CA C 13 51.822 0.300 . 1 . . . . 76 ALA CA . 10280 1 889 . 1 1 76 76 ALA CB C 13 20.419 0.300 . 1 . . . . 76 ALA CB . 10280 1 890 . 1 1 76 76 ALA N N 15 126.709 0.300 . 1 . . . . 76 ALA N . 10280 1 891 . 1 1 77 77 ALA H H 1 9.522 0.030 . 1 . . . . 77 ALA H . 10280 1 892 . 1 1 77 77 ALA HA H 1 4.142 0.030 . 1 . . . . 77 ALA HA . 10280 1 893 . 1 1 77 77 ALA HB1 H 1 1.453 0.030 . 1 . . . . 77 ALA HB . 10280 1 894 . 1 1 77 77 ALA HB2 H 1 1.453 0.030 . 1 . . . . 77 ALA HB . 10280 1 895 . 1 1 77 77 ALA HB3 H 1 1.453 0.030 . 1 . . . . 77 ALA HB . 10280 1 896 . 1 1 77 77 ALA C C 13 178.781 0.300 . 1 . . . . 77 ALA C . 10280 1 897 . 1 1 77 77 ALA CA C 13 54.743 0.300 . 1 . . . . 77 ALA CA . 10280 1 898 . 1 1 77 77 ALA CB C 13 17.582 0.300 . 1 . . . . 77 ALA CB . 10280 1 899 . 1 1 77 77 ALA N N 15 126.280 0.300 . 1 . . . . 77 ALA N . 10280 1 900 . 1 1 78 78 SER H H 1 7.893 0.030 . 1 . . . . 78 SER H . 10280 1 901 . 1 1 78 78 SER HA H 1 4.283 0.030 . 1 . . . . 78 SER HA . 10280 1 902 . 1 1 78 78 SER HB2 H 1 3.921 0.030 . 2 . . . . 78 SER HB2 . 10280 1 903 . 1 1 78 78 SER HB3 H 1 4.153 0.030 . 2 . . . . 78 SER HB3 . 10280 1 904 . 1 1 78 78 SER C C 13 175.623 0.300 . 1 . . . . 78 SER C . 10280 1 905 . 1 1 78 78 SER CA C 13 58.525 0.300 . 1 . . . . 78 SER CA . 10280 1 906 . 1 1 78 78 SER CB C 13 63.799 0.300 . 1 . . . . 78 SER CB . 10280 1 907 . 1 1 78 78 SER N N 15 110.174 0.300 . 1 . . . . 78 SER N . 10280 1 908 . 1 1 79 79 GLY H H 1 8.013 0.030 . 1 . . . . 79 GLY H . 10280 1 909 . 1 1 79 79 GLY HA2 H 1 4.537 0.030 . 2 . . . . 79 GLY HA2 . 10280 1 910 . 1 1 79 79 GLY HA3 H 1 3.653 0.030 . 2 . . . . 79 GLY HA3 . 10280 1 911 . 1 1 79 79 GLY C C 13 174.106 0.300 . 1 . . . . 79 GLY C . 10280 1 912 . 1 1 79 79 GLY CA C 13 44.714 0.300 . 1 . . . . 79 GLY CA . 10280 1 913 . 1 1 79 79 GLY N N 15 110.707 0.300 . 1 . . . . 79 GLY N . 10280 1 914 . 1 1 80 80 GLU H H 1 7.774 0.030 . 1 . . . . 80 GLU H . 10280 1 915 . 1 1 80 80 GLU HA H 1 4.184 0.030 . 1 . . . . 80 GLU HA . 10280 1 916 . 1 1 80 80 GLU HB2 H 1 1.840 0.030 . 2 . . . . 80 GLU HB2 . 10280 1 917 . 1 1 80 80 GLU HB3 H 1 1.722 0.030 . 2 . . . . 80 GLU HB3 . 10280 1 918 . 1 1 80 80 GLU HG2 H 1 2.182 0.030 . 2 . . . . 80 GLU HG2 . 10280 1 919 . 1 1 80 80 GLU HG3 H 1 2.364 0.030 . 2 . . . . 80 GLU HG3 . 10280 1 920 . 1 1 80 80 GLU C C 13 174.069 0.300 . 1 . . . . 80 GLU C . 10280 1 921 . 1 1 80 80 GLU CA C 13 57.241 0.300 . 1 . . . . 80 GLU CA . 10280 1 922 . 1 1 80 80 GLU CB C 13 30.329 0.300 . 1 . . . . 80 GLU CB . 10280 1 923 . 1 1 80 80 GLU CG C 13 36.537 0.300 . 1 . . . . 80 GLU CG . 10280 1 924 . 1 1 80 80 GLU N N 15 123.155 0.300 . 1 . . . . 80 GLU N . 10280 1 925 . 1 1 81 81 GLN H H 1 8.624 0.030 . 1 . . . . 81 GLN H . 10280 1 926 . 1 1 81 81 GLN HA H 1 5.553 0.030 . 1 . . . . 81 GLN HA . 10280 1 927 . 1 1 81 81 GLN HB2 H 1 1.964 0.030 . 1 . . . . 81 GLN HB2 . 10280 1 928 . 1 1 81 81 GLN HB3 H 1 1.964 0.030 . 1 . . . . 81 GLN HB3 . 10280 1 929 . 1 1 81 81 GLN HE21 H 1 7.963 0.030 . 2 . . . . 81 GLN HE21 . 10280 1 930 . 1 1 81 81 GLN HE22 H 1 6.848 0.030 . 2 . . . . 81 GLN HE22 . 10280 1 931 . 1 1 81 81 GLN HG2 H 1 2.313 0.030 . 2 . . . . 81 GLN HG2 . 10280 1 932 . 1 1 81 81 GLN HG3 H 1 1.887 0.030 . 2 . . . . 81 GLN HG3 . 10280 1 933 . 1 1 81 81 GLN C C 13 176.075 0.300 . 1 . . . . 81 GLN C . 10280 1 934 . 1 1 81 81 GLN CA C 13 53.898 0.300 . 1 . . . . 81 GLN CA . 10280 1 935 . 1 1 81 81 GLN CB C 13 33.700 0.300 . 1 . . . . 81 GLN CB . 10280 1 936 . 1 1 81 81 GLN CG C 13 34.975 0.300 . 1 . . . . 81 GLN CG . 10280 1 937 . 1 1 81 81 GLN N N 15 122.723 0.300 . 1 . . . . 81 GLN N . 10280 1 938 . 1 1 81 81 GLN NE2 N 15 112.367 0.300 . 1 . . . . 81 GLN NE2 . 10280 1 939 . 1 1 82 82 TYR H H 1 8.832 0.030 . 1 . . . . 82 TYR H . 10280 1 940 . 1 1 82 82 TYR HA H 1 5.133 0.030 . 1 . . . . 82 TYR HA . 10280 1 941 . 1 1 82 82 TYR HB2 H 1 2.834 0.030 . 2 . . . . 82 TYR HB2 . 10280 1 942 . 1 1 82 82 TYR HB3 H 1 2.593 0.030 . 2 . . . . 82 TYR HB3 . 10280 1 943 . 1 1 82 82 TYR HD1 H 1 6.923 0.030 . 1 . . . . 82 TYR HD1 . 10280 1 944 . 1 1 82 82 TYR HD2 H 1 6.923 0.030 . 1 . . . . 82 TYR HD2 . 10280 1 945 . 1 1 82 82 TYR HE1 H 1 6.771 0.030 . 1 . . . . 82 TYR HE1 . 10280 1 946 . 1 1 82 82 TYR HE2 H 1 6.771 0.030 . 1 . . . . 82 TYR HE2 . 10280 1 947 . 1 1 82 82 TYR C C 13 173.808 0.300 . 1 . . . . 82 TYR C . 10280 1 948 . 1 1 82 82 TYR CA C 13 53.283 0.300 . 1 . . . . 82 TYR CA . 10280 1 949 . 1 1 82 82 TYR CB C 13 38.470 0.300 . 1 . . . . 82 TYR CB . 10280 1 950 . 1 1 82 82 TYR CD1 C 13 130.042 0.300 . 1 . . . . 82 TYR CD1 . 10280 1 951 . 1 1 82 82 TYR CD2 C 13 130.042 0.300 . 1 . . . . 82 TYR CD2 . 10280 1 952 . 1 1 82 82 TYR CE1 C 13 118.595 0.300 . 1 . . . . 82 TYR CE1 . 10280 1 953 . 1 1 82 82 TYR CE2 C 13 118.595 0.300 . 1 . . . . 82 TYR CE2 . 10280 1 954 . 1 1 82 82 TYR N N 15 123.028 0.300 . 1 . . . . 82 TYR N . 10280 1 955 . 1 1 83 83 LYS H H 1 9.102 0.030 . 1 . . . . 83 LYS H . 10280 1 956 . 1 1 83 83 LYS HA H 1 4.563 0.030 . 1 . . . . 83 LYS HA . 10280 1 957 . 1 1 83 83 LYS HB2 H 1 1.663 0.030 . 2 . . . . 83 LYS HB2 . 10280 1 958 . 1 1 83 83 LYS HB3 H 1 1.464 0.030 . 2 . . . . 83 LYS HB3 . 10280 1 959 . 1 1 83 83 LYS HD2 H 1 1.333 0.030 . 1 . . . . 83 LYS HD2 . 10280 1 960 . 1 1 83 83 LYS HD3 H 1 1.333 0.030 . 1 . . . . 83 LYS HD3 . 10280 1 961 . 1 1 83 83 LYS HE2 H 1 2.648 0.030 . 1 . . . . 83 LYS HE2 . 10280 1 962 . 1 1 83 83 LYS HE3 H 1 2.648 0.030 . 1 . . . . 83 LYS HE3 . 10280 1 963 . 1 1 83 83 LYS HG2 H 1 1.243 0.030 . 2 . . . . 83 LYS HG2 . 10280 1 964 . 1 1 83 83 LYS HG3 H 1 1.183 0.030 . 2 . . . . 83 LYS HG3 . 10280 1 965 . 1 1 83 83 LYS C C 13 173.411 0.300 . 1 . . . . 83 LYS C . 10280 1 966 . 1 1 83 83 LYS CA C 13 56.273 0.300 . 1 . . . . 83 LYS CA . 10280 1 967 . 1 1 83 83 LYS CB C 13 33.371 0.300 . 1 . . . . 83 LYS CB . 10280 1 968 . 1 1 83 83 LYS CD C 13 29.465 0.300 . 1 . . . . 83 LYS CD . 10280 1 969 . 1 1 83 83 LYS CE C 13 41.718 0.300 . 1 . . . . 83 LYS CE . 10280 1 970 . 1 1 83 83 LYS CG C 13 25.024 0.300 . 1 . . . . 83 LYS CG . 10280 1 971 . 1 1 83 83 LYS N N 15 127.347 0.300 . 1 . . . . 83 LYS N . 10280 1 972 . 1 1 84 84 LEU H H 1 8.552 0.030 . 1 . . . . 84 LEU H . 10280 1 973 . 1 1 84 84 LEU HA H 1 5.473 0.030 . 1 . . . . 84 LEU HA . 10280 1 974 . 1 1 84 84 LEU HB2 H 1 0.265 0.030 . 2 . . . . 84 LEU HB2 . 10280 1 975 . 1 1 84 84 LEU HB3 H 1 -0.101 0.030 . 2 . . . . 84 LEU HB3 . 10280 1 976 . 1 1 84 84 LEU HD11 H 1 -0.019 0.030 . 1 . . . . 84 LEU HD1 . 10280 1 977 . 1 1 84 84 LEU HD12 H 1 -0.019 0.030 . 1 . . . . 84 LEU HD1 . 10280 1 978 . 1 1 84 84 LEU HD13 H 1 -0.019 0.030 . 1 . . . . 84 LEU HD1 . 10280 1 979 . 1 1 84 84 LEU HD21 H 1 0.230 0.030 . 1 . . . . 84 LEU HD2 . 10280 1 980 . 1 1 84 84 LEU HD22 H 1 0.230 0.030 . 1 . . . . 84 LEU HD2 . 10280 1 981 . 1 1 84 84 LEU HD23 H 1 0.230 0.030 . 1 . . . . 84 LEU HD2 . 10280 1 982 . 1 1 84 84 LEU HG H 1 0.912 0.030 . 1 . . . . 84 LEU HG . 10280 1 983 . 1 1 84 84 LEU C C 13 175.241 0.300 . 1 . . . . 84 LEU C . 10280 1 984 . 1 1 84 84 LEU CA C 13 52.720 0.300 . 1 . . . . 84 LEU CA . 10280 1 985 . 1 1 84 84 LEU CB C 13 44.691 0.300 . 1 . . . . 84 LEU CB . 10280 1 986 . 1 1 84 84 LEU CD1 C 13 24.970 0.300 . 2 . . . . 84 LEU CD1 . 10280 1 987 . 1 1 84 84 LEU CD2 C 13 25.284 0.300 . 2 . . . . 84 LEU CD2 . 10280 1 988 . 1 1 84 84 LEU CG C 13 26.645 0.300 . 1 . . . . 84 LEU CG . 10280 1 989 . 1 1 84 84 LEU N N 15 125.973 0.300 . 1 . . . . 84 LEU N . 10280 1 990 . 1 1 85 85 ARG H H 1 8.882 0.030 . 1 . . . . 85 ARG H . 10280 1 991 . 1 1 85 85 ARG HA H 1 4.969 0.030 . 1 . . . . 85 ARG HA . 10280 1 992 . 1 1 85 85 ARG HB2 H 1 1.183 0.030 . 2 . . . . 85 ARG HB2 . 10280 1 993 . 1 1 85 85 ARG HB3 H 1 1.070 0.030 . 2 . . . . 85 ARG HB3 . 10280 1 994 . 1 1 85 85 ARG HD2 H 1 2.132 0.030 . 2 . . . . 85 ARG HD2 . 10280 1 995 . 1 1 85 85 ARG HD3 H 1 1.713 0.030 . 2 . . . . 85 ARG HD3 . 10280 1 996 . 1 1 85 85 ARG HG2 H 1 1.373 0.030 . 2 . . . . 85 ARG HG2 . 10280 1 997 . 1 1 85 85 ARG HG3 H 1 1.159 0.030 . 2 . . . . 85 ARG HG3 . 10280 1 998 . 1 1 85 85 ARG C C 13 175.459 0.300 . 1 . . . . 85 ARG C . 10280 1 999 . 1 1 85 85 ARG CA C 13 55.464 0.300 . 1 . . . . 85 ARG CA . 10280 1 1000 . 1 1 85 85 ARG CB C 13 35.016 0.300 . 1 . . . . 85 ARG CB . 10280 1 1001 . 1 1 85 85 ARG CD C 13 43.198 0.300 . 1 . . . . 85 ARG CD . 10280 1 1002 . 1 1 85 85 ARG CG C 13 27.510 0.300 . 1 . . . . 85 ARG CG . 10280 1 1003 . 1 1 85 85 ARG N N 15 118.420 0.300 . 1 . . . . 85 ARG N . 10280 1 1004 . 1 1 86 86 ALA H H 1 8.782 0.030 . 1 . . . . 86 ALA H . 10280 1 1005 . 1 1 86 86 ALA HA H 1 4.868 0.030 . 1 . . . . 86 ALA HA . 10280 1 1006 . 1 1 86 86 ALA HB1 H 1 1.743 0.030 . 1 . . . . 86 ALA HB . 10280 1 1007 . 1 1 86 86 ALA HB2 H 1 1.743 0.030 . 1 . . . . 86 ALA HB . 10280 1 1008 . 1 1 86 86 ALA HB3 H 1 1.743 0.030 . 1 . . . . 86 ALA HB . 10280 1 1009 . 1 1 86 86 ALA C C 13 176.516 0.300 . 1 . . . . 86 ALA C . 10280 1 1010 . 1 1 86 86 ALA CA C 13 50.257 0.300 . 1 . . . . 86 ALA CA . 10280 1 1011 . 1 1 86 86 ALA CB C 13 21.693 0.300 . 1 . . . . 86 ALA CB . 10280 1 1012 . 1 1 86 86 ALA N N 15 129.196 0.300 . 1 . . . . 86 ALA N . 10280 1 1013 . 1 1 87 87 THR H H 1 9.332 0.030 . 1 . . . . 87 THR H . 10280 1 1014 . 1 1 87 87 THR HA H 1 3.993 0.030 . 1 . . . . 87 THR HA . 10280 1 1015 . 1 1 87 87 THR HB H 1 4.134 0.030 . 1 . . . . 87 THR HB . 10280 1 1016 . 1 1 87 87 THR HG21 H 1 1.346 0.030 . 1 . . . . 87 THR HG2 . 10280 1 1017 . 1 1 87 87 THR HG22 H 1 1.346 0.030 . 1 . . . . 87 THR HG2 . 10280 1 1018 . 1 1 87 87 THR HG23 H 1 1.346 0.030 . 1 . . . . 87 THR HG2 . 10280 1 1019 . 1 1 87 87 THR C C 13 174.171 0.300 . 1 . . . . 87 THR C . 10280 1 1020 . 1 1 87 87 THR CA C 13 64.964 0.300 . 1 . . . . 87 THR CA . 10280 1 1021 . 1 1 87 87 THR CB C 13 69.873 0.300 . 1 . . . . 87 THR CB . 10280 1 1022 . 1 1 87 87 THR CG2 C 13 22.181 0.300 . 1 . . . . 87 THR CG2 . 10280 1 1023 . 1 1 87 87 THR N N 15 112.092 0.300 . 1 . . . . 87 THR N . 10280 1 1024 . 1 1 88 88 ASP H H 1 7.463 0.030 . 1 . . . . 88 ASP H . 10280 1 1025 . 1 1 88 88 ASP HA H 1 4.243 0.030 . 1 . . . . 88 ASP HA . 10280 1 1026 . 1 1 88 88 ASP HB2 H 1 3.023 0.030 . 1 . . . . 88 ASP HB2 . 10280 1 1027 . 1 1 88 88 ASP HB3 H 1 3.023 0.030 . 1 . . . . 88 ASP HB3 . 10280 1 1028 . 1 1 88 88 ASP C C 13 175.164 0.300 . 1 . . . . 88 ASP C . 10280 1 1029 . 1 1 88 88 ASP CA C 13 52.544 0.300 . 1 . . . . 88 ASP CA . 10280 1 1030 . 1 1 88 88 ASP CB C 13 42.129 0.300 . 1 . . . . 88 ASP CB . 10280 1 1031 . 1 1 88 88 ASP N N 15 114.219 0.300 . 1 . . . . 88 ASP N . 10280 1 1032 . 1 1 89 89 ALA H H 1 8.602 0.030 . 1 . . . . 89 ALA H . 10280 1 1033 . 1 1 89 89 ALA HA H 1 4.423 0.030 . 1 . . . . 89 ALA HA . 10280 1 1034 . 1 1 89 89 ALA HB1 H 1 1.533 0.030 . 1 . . . . 89 ALA HB . 10280 1 1035 . 1 1 89 89 ALA HB2 H 1 1.533 0.030 . 1 . . . . 89 ALA HB . 10280 1 1036 . 1 1 89 89 ALA HB3 H 1 1.533 0.030 . 1 . . . . 89 ALA HB . 10280 1 1037 . 1 1 89 89 ALA C C 13 180.870 0.300 . 1 . . . . 89 ALA C . 10280 1 1038 . 1 1 89 89 ALA CA C 13 54.848 0.300 . 1 . . . . 89 ALA CA . 10280 1 1039 . 1 1 89 89 ALA CB C 13 19.144 0.300 . 1 . . . . 89 ALA CB . 10280 1 1040 . 1 1 89 89 ALA N N 15 120.922 0.300 . 1 . . . . 89 ALA N . 10280 1 1041 . 1 1 90 90 LYS H H 1 8.203 0.030 . 1 . . . . 90 LYS H . 10280 1 1042 . 1 1 90 90 LYS HA H 1 4.132 0.030 . 1 . . . . 90 LYS HA . 10280 1 1043 . 1 1 90 90 LYS HB2 H 1 1.933 0.030 . 1 . . . . 90 LYS HB2 . 10280 1 1044 . 1 1 90 90 LYS HB3 H 1 1.933 0.030 . 1 . . . . 90 LYS HB3 . 10280 1 1045 . 1 1 90 90 LYS HD2 H 1 1.715 0.030 . 1 . . . . 90 LYS HD2 . 10280 1 1046 . 1 1 90 90 LYS HD3 H 1 1.715 0.030 . 1 . . . . 90 LYS HD3 . 10280 1 1047 . 1 1 90 90 LYS HE2 H 1 3.015 0.030 . 1 . . . . 90 LYS HE2 . 10280 1 1048 . 1 1 90 90 LYS HE3 H 1 3.015 0.030 . 1 . . . . 90 LYS HE3 . 10280 1 1049 . 1 1 90 90 LYS HG2 H 1 1.423 0.030 . 2 . . . . 90 LYS HG2 . 10280 1 1050 . 1 1 90 90 LYS HG3 H 1 1.530 0.030 . 2 . . . . 90 LYS HG3 . 10280 1 1051 . 1 1 90 90 LYS C C 13 179.354 0.300 . 1 . . . . 90 LYS C . 10280 1 1052 . 1 1 90 90 LYS CA C 13 59.493 0.300 . 1 . . . . 90 LYS CA . 10280 1 1053 . 1 1 90 90 LYS CB C 13 31.685 0.300 . 1 . . . . 90 LYS CB . 10280 1 1054 . 1 1 90 90 LYS CD C 13 29.136 0.300 . 1 . . . . 90 LYS CD . 10280 1 1055 . 1 1 90 90 LYS CE C 13 42.047 0.300 . 1 . . . . 90 LYS CE . 10280 1 1056 . 1 1 90 90 LYS CG C 13 25.106 0.300 . 1 . . . . 90 LYS CG . 10280 1 1057 . 1 1 90 90 LYS N N 15 121.314 0.300 . 1 . . . . 90 LYS N . 10280 1 1058 . 1 1 91 91 GLU H H 1 8.873 0.030 . 1 . . . . 91 GLU H . 10280 1 1059 . 1 1 91 91 GLU HA H 1 4.343 0.030 . 1 . . . . 91 GLU HA . 10280 1 1060 . 1 1 91 91 GLU HB2 H 1 2.373 0.030 . 2 . . . . 91 GLU HB2 . 10280 1 1061 . 1 1 91 91 GLU HB3 H 1 2.313 0.030 . 2 . . . . 91 GLU HB3 . 10280 1 1062 . 1 1 91 91 GLU HG2 H 1 2.593 0.030 . 2 . . . . 91 GLU HG2 . 10280 1 1063 . 1 1 91 91 GLU HG3 H 1 2.672 0.030 . 2 . . . . 91 GLU HG3 . 10280 1 1064 . 1 1 91 91 GLU C C 13 178.826 0.300 . 1 . . . . 91 GLU C . 10280 1 1065 . 1 1 91 91 GLU CA C 13 59.528 0.300 . 1 . . . . 91 GLU CA . 10280 1 1066 . 1 1 91 91 GLU CB C 13 30.452 0.300 . 1 . . . . 91 GLU CB . 10280 1 1067 . 1 1 91 91 GLU CG C 13 38.347 0.300 . 1 . . . . 91 GLU CG . 10280 1 1068 . 1 1 91 91 GLU N N 15 123.434 0.300 . 1 . . . . 91 GLU N . 10280 1 1069 . 1 1 92 92 ARG H H 1 8.384 0.030 . 1 . . . . 92 ARG H . 10280 1 1070 . 1 1 92 92 ARG HA H 1 3.673 0.030 . 1 . . . . 92 ARG HA . 10280 1 1071 . 1 1 92 92 ARG HB2 H 1 2.252 0.030 . 2 . . . . 92 ARG HB2 . 10280 1 1072 . 1 1 92 92 ARG HB3 H 1 1.824 0.030 . 2 . . . . 92 ARG HB3 . 10280 1 1073 . 1 1 92 92 ARG HD2 H 1 3.103 0.030 . 2 . . . . 92 ARG HD2 . 10280 1 1074 . 1 1 92 92 ARG HD3 H 1 2.754 0.030 . 2 . . . . 92 ARG HD3 . 10280 1 1075 . 1 1 92 92 ARG HG2 H 1 1.480 0.030 . 2 . . . . 92 ARG HG2 . 10280 1 1076 . 1 1 92 92 ARG HG3 H 1 1.354 0.030 . 2 . . . . 92 ARG HG3 . 10280 1 1077 . 1 1 92 92 ARG C C 13 176.583 0.300 . 1 . . . . 92 ARG C . 10280 1 1078 . 1 1 92 92 ARG CA C 13 60.989 0.300 . 1 . . . . 92 ARG CA . 10280 1 1079 . 1 1 92 92 ARG CB C 13 30.329 0.300 . 1 . . . . 92 ARG CB . 10280 1 1080 . 1 1 92 92 ARG CD C 13 44.156 0.300 . 1 . . . . 92 ARG CD . 10280 1 1081 . 1 1 92 92 ARG CG C 13 26.916 0.300 . 1 . . . . 92 ARG CG . 10280 1 1082 . 1 1 92 92 ARG N N 15 118.671 0.300 . 1 . . . . 92 ARG N . 10280 1 1083 . 1 1 93 93 GLN H H 1 8.180 0.030 . 1 . . . . 93 GLN H . 10280 1 1084 . 1 1 93 93 GLN HA H 1 3.922 0.030 . 1 . . . . 93 GLN HA . 10280 1 1085 . 1 1 93 93 GLN HB2 H 1 2.209 0.030 . 2 . . . . 93 GLN HB2 . 10280 1 1086 . 1 1 93 93 GLN HB3 H 1 2.263 0.030 . 2 . . . . 93 GLN HB3 . 10280 1 1087 . 1 1 93 93 GLN HE21 H 1 7.523 0.030 . 2 . . . . 93 GLN HE21 . 10280 1 1088 . 1 1 93 93 GLN HE22 H 1 6.854 0.030 . 2 . . . . 93 GLN HE22 . 10280 1 1089 . 1 1 93 93 GLN HG2 H 1 2.494 0.030 . 1 . . . . 93 GLN HG2 . 10280 1 1090 . 1 1 93 93 GLN HG3 H 1 2.494 0.030 . 1 . . . . 93 GLN HG3 . 10280 1 1091 . 1 1 93 93 GLN C C 13 178.175 0.300 . 1 . . . . 93 GLN C . 10280 1 1092 . 1 1 93 93 GLN CA C 13 58.595 0.300 . 1 . . . . 93 GLN CA . 10280 1 1093 . 1 1 93 93 GLN CB C 13 27.862 0.300 . 1 . . . . 93 GLN CB . 10280 1 1094 . 1 1 93 93 GLN CG C 13 33.330 0.300 . 1 . . . . 93 GLN CG . 10280 1 1095 . 1 1 93 93 GLN N N 15 118.024 0.300 . 1 . . . . 93 GLN N . 10280 1 1096 . 1 1 93 93 GLN NE2 N 15 112.075 0.300 . 1 . . . . 93 GLN NE2 . 10280 1 1097 . 1 1 94 94 HIS H H 1 8.024 0.030 . 1 . . . . 94 HIS H . 10280 1 1098 . 1 1 94 94 HIS HA H 1 4.233 0.030 . 1 . . . . 94 HIS HA . 10280 1 1099 . 1 1 94 94 HIS HB2 H 1 3.353 0.030 . 2 . . . . 94 HIS HB2 . 10280 1 1100 . 1 1 94 94 HIS HB3 H 1 3.113 0.030 . 2 . . . . 94 HIS HB3 . 10280 1 1101 . 1 1 94 94 HIS HD2 H 1 6.302 0.030 . 1 . . . . 94 HIS HD2 . 10280 1 1102 . 1 1 94 94 HIS HE1 H 1 7.513 0.030 . 1 . . . . 94 HIS HE1 . 10280 1 1103 . 1 1 94 94 HIS C C 13 176.736 0.300 . 1 . . . . 94 HIS C . 10280 1 1104 . 1 1 94 94 HIS CA C 13 59.952 0.300 . 1 . . . . 94 HIS CA . 10280 1 1105 . 1 1 94 94 HIS CB C 13 30.863 0.300 . 1 . . . . 94 HIS CB . 10280 1 1106 . 1 1 94 94 HIS CD2 C 13 118.490 0.300 . 1 . . . . 94 HIS CD2 . 10280 1 1107 . 1 1 94 94 HIS CE1 C 13 138.335 0.300 . 1 . . . . 94 HIS CE1 . 10280 1 1108 . 1 1 94 94 HIS N N 15 121.141 0.300 . 1 . . . . 94 HIS N . 10280 1 1109 . 1 1 95 95 TRP H H 1 7.732 0.030 . 1 . . . . 95 TRP H . 10280 1 1110 . 1 1 95 95 TRP HA H 1 3.691 0.030 . 1 . . . . 95 TRP HA . 10280 1 1111 . 1 1 95 95 TRP HB2 H 1 2.803 0.030 . 1 . . . . 95 TRP HB2 . 10280 1 1112 . 1 1 95 95 TRP HB3 H 1 2.803 0.030 . 1 . . . . 95 TRP HB3 . 10280 1 1113 . 1 1 95 95 TRP HD1 H 1 7.403 0.030 . 1 . . . . 95 TRP HD1 . 10280 1 1114 . 1 1 95 95 TRP HE1 H 1 10.836 0.030 . 1 . . . . 95 TRP HE1 . 10280 1 1115 . 1 1 95 95 TRP HE3 H 1 7.201 0.030 . 1 . . . . 95 TRP HE3 . 10280 1 1116 . 1 1 95 95 TRP HH2 H 1 6.803 0.030 . 1 . . . . 95 TRP HH2 . 10280 1 1117 . 1 1 95 95 TRP HZ2 H 1 6.939 0.030 . 1 . . . . 95 TRP HZ2 . 10280 1 1118 . 1 1 95 95 TRP HZ3 H 1 6.694 0.030 . 1 . . . . 95 TRP HZ3 . 10280 1 1119 . 1 1 95 95 TRP C C 13 178.495 0.300 . 1 . . . . 95 TRP C . 10280 1 1120 . 1 1 95 95 TRP CA C 13 62.202 0.300 . 1 . . . . 95 TRP CA . 10280 1 1121 . 1 1 95 95 TRP CB C 13 30.129 0.300 . 1 . . . . 95 TRP CB . 10280 1 1122 . 1 1 95 95 TRP CD1 C 13 126.050 0.300 . 1 . . . . 95 TRP CD1 . 10280 1 1123 . 1 1 95 95 TRP CE3 C 13 118.198 0.300 . 1 . . . . 95 TRP CE3 . 10280 1 1124 . 1 1 95 95 TRP CH2 C 13 124.701 0.300 . 1 . . . . 95 TRP CH2 . 10280 1 1125 . 1 1 95 95 TRP CZ2 C 13 114.079 0.300 . 1 . . . . 95 TRP CZ2 . 10280 1 1126 . 1 1 95 95 TRP CZ3 C 13 120.906 0.300 . 1 . . . . 95 TRP CZ3 . 10280 1 1127 . 1 1 95 95 TRP N N 15 117.243 0.300 . 1 . . . . 95 TRP N . 10280 1 1128 . 1 1 95 95 TRP NE1 N 15 129.334 0.300 . 1 . . . . 95 TRP NE1 . 10280 1 1129 . 1 1 96 96 VAL H H 1 8.851 0.030 . 1 . . . . 96 VAL H . 10280 1 1130 . 1 1 96 96 VAL HA H 1 3.153 0.030 . 1 . . . . 96 VAL HA . 10280 1 1131 . 1 1 96 96 VAL HB H 1 1.862 0.030 . 1 . . . . 96 VAL HB . 10280 1 1132 . 1 1 96 96 VAL HG11 H 1 0.693 0.030 . 1 . . . . 96 VAL HG1 . 10280 1 1133 . 1 1 96 96 VAL HG12 H 1 0.693 0.030 . 1 . . . . 96 VAL HG1 . 10280 1 1134 . 1 1 96 96 VAL HG13 H 1 0.693 0.030 . 1 . . . . 96 VAL HG1 . 10280 1 1135 . 1 1 96 96 VAL HG21 H 1 0.283 0.030 . 1 . . . . 96 VAL HG2 . 10280 1 1136 . 1 1 96 96 VAL HG22 H 1 0.283 0.030 . 1 . . . . 96 VAL HG2 . 10280 1 1137 . 1 1 96 96 VAL HG23 H 1 0.283 0.030 . 1 . . . . 96 VAL HG2 . 10280 1 1138 . 1 1 96 96 VAL C C 13 177.719 0.300 . 1 . . . . 96 VAL C . 10280 1 1139 . 1 1 96 96 VAL CA C 13 67.446 0.300 . 1 . . . . 96 VAL CA . 10280 1 1140 . 1 1 96 96 VAL CB C 13 31.392 0.300 . 1 . . . . 96 VAL CB . 10280 1 1141 . 1 1 96 96 VAL CG1 C 13 20.748 0.300 . 2 . . . . 96 VAL CG1 . 10280 1 1142 . 1 1 96 96 VAL CG2 C 13 23.662 0.300 . 2 . . . . 96 VAL CG2 . 10280 1 1143 . 1 1 96 96 VAL N N 15 117.339 0.300 . 1 . . . . 96 VAL N . 10280 1 1144 . 1 1 97 97 SER H H 1 8.310 0.030 . 1 . . . . 97 SER H . 10280 1 1145 . 1 1 97 97 SER HA H 1 4.184 0.030 . 1 . . . . 97 SER HA . 10280 1 1146 . 1 1 97 97 SER HB2 H 1 4.015 0.030 . 2 . . . . 97 SER HB2 . 10280 1 1147 . 1 1 97 97 SER HB3 H 1 3.913 0.030 . 2 . . . . 97 SER HB3 . 10280 1 1148 . 1 1 97 97 SER C C 13 177.363 0.300 . 1 . . . . 97 SER C . 10280 1 1149 . 1 1 97 97 SER CA C 13 61.622 0.300 . 1 . . . . 97 SER CA . 10280 1 1150 . 1 1 97 97 SER CB C 13 62.806 0.300 . 1 . . . . 97 SER CB . 10280 1 1151 . 1 1 97 97 SER N N 15 113.255 0.300 . 1 . . . . 97 SER N . 10280 1 1152 . 1 1 98 98 ARG H H 1 7.623 0.030 . 1 . . . . 98 ARG H . 10280 1 1153 . 1 1 98 98 ARG HA H 1 3.983 0.030 . 1 . . . . 98 ARG HA . 10280 1 1154 . 1 1 98 98 ARG HB2 H 1 1.521 0.030 . 2 . . . . 98 ARG HB2 . 10280 1 1155 . 1 1 98 98 ARG HB3 H 1 1.581 0.030 . 2 . . . . 98 ARG HB3 . 10280 1 1156 . 1 1 98 98 ARG HD2 H 1 2.743 0.030 . 2 . . . . 98 ARG HD2 . 10280 1 1157 . 1 1 98 98 ARG HD3 H 1 2.921 0.030 . 2 . . . . 98 ARG HD3 . 10280 1 1158 . 1 1 98 98 ARG HG2 H 1 1.183 0.030 . 2 . . . . 98 ARG HG2 . 10280 1 1159 . 1 1 98 98 ARG HG3 H 1 1.523 0.030 . 2 . . . . 98 ARG HG3 . 10280 1 1160 . 1 1 98 98 ARG C C 13 180.195 0.300 . 1 . . . . 98 ARG C . 10280 1 1161 . 1 1 98 98 ARG CA C 13 58.244 0.300 . 1 . . . . 98 ARG CA . 10280 1 1162 . 1 1 98 98 ARG CB C 13 28.931 0.300 . 1 . . . . 98 ARG CB . 10280 1 1163 . 1 1 98 98 ARG CD C 13 41.718 0.300 . 1 . . . . 98 ARG CD . 10280 1 1164 . 1 1 98 98 ARG CG C 13 26.736 0.300 . 1 . . . . 98 ARG CG . 10280 1 1165 . 1 1 98 98 ARG N N 15 120.175 0.300 . 1 . . . . 98 ARG N . 10280 1 1166 . 1 1 99 99 LEU H H 1 8.974 0.030 . 1 . . . . 99 LEU H . 10280 1 1167 . 1 1 99 99 LEU HA H 1 4.004 0.030 . 1 . . . . 99 LEU HA . 10280 1 1168 . 1 1 99 99 LEU HB2 H 1 1.263 0.030 . 2 . . . . 99 LEU HB2 . 10280 1 1169 . 1 1 99 99 LEU HB3 H 1 2.253 0.030 . 2 . . . . 99 LEU HB3 . 10280 1 1170 . 1 1 99 99 LEU HD11 H 1 1.026 0.030 . 1 . . . . 99 LEU HD1 . 10280 1 1171 . 1 1 99 99 LEU HD12 H 1 1.026 0.030 . 1 . . . . 99 LEU HD1 . 10280 1 1172 . 1 1 99 99 LEU HD13 H 1 1.026 0.030 . 1 . . . . 99 LEU HD1 . 10280 1 1173 . 1 1 99 99 LEU HD21 H 1 1.114 0.030 . 1 . . . . 99 LEU HD2 . 10280 1 1174 . 1 1 99 99 LEU HD22 H 1 1.114 0.030 . 1 . . . . 99 LEU HD2 . 10280 1 1175 . 1 1 99 99 LEU HD23 H 1 1.114 0.030 . 1 . . . . 99 LEU HD2 . 10280 1 1176 . 1 1 99 99 LEU HG H 1 2.183 0.030 . 1 . . . . 99 LEU HG . 10280 1 1177 . 1 1 99 99 LEU C C 13 179.517 0.300 . 1 . . . . 99 LEU C . 10280 1 1178 . 1 1 99 99 LEU CA C 13 58.543 0.300 . 1 . . . . 99 LEU CA . 10280 1 1179 . 1 1 99 99 LEU CB C 13 42.553 0.300 . 1 . . . . 99 LEU CB . 10280 1 1180 . 1 1 99 99 LEU CD1 C 13 27.245 0.300 . 2 . . . . 99 LEU CD1 . 10280 1 1181 . 1 1 99 99 LEU CD2 C 13 26.093 0.300 . 2 . . . . 99 LEU CD2 . 10280 1 1182 . 1 1 99 99 LEU CG C 13 27.666 0.300 . 1 . . . . 99 LEU CG . 10280 1 1183 . 1 1 99 99 LEU N N 15 120.619 0.300 . 1 . . . . 99 LEU N . 10280 1 1184 . 1 1 100 100 GLN H H 1 8.858 0.030 . 1 . . . . 100 GLN H . 10280 1 1185 . 1 1 100 100 GLN HA H 1 4.033 0.030 . 1 . . . . 100 GLN HA . 10280 1 1186 . 1 1 100 100 GLN HB2 H 1 2.387 0.030 . 2 . . . . 100 GLN HB2 . 10280 1 1187 . 1 1 100 100 GLN HB3 H 1 2.043 0.030 . 2 . . . . 100 GLN HB3 . 10280 1 1188 . 1 1 100 100 GLN HE21 H 1 6.873 0.030 . 2 . . . . 100 GLN HE21 . 10280 1 1189 . 1 1 100 100 GLN HE22 H 1 7.183 0.030 . 2 . . . . 100 GLN HE22 . 10280 1 1190 . 1 1 100 100 GLN HG2 H 1 2.515 0.030 . 2 . . . . 100 GLN HG2 . 10280 1 1191 . 1 1 100 100 GLN HG3 H 1 2.653 0.030 . 2 . . . . 100 GLN HG3 . 10280 1 1192 . 1 1 100 100 GLN C C 13 179.169 0.300 . 1 . . . . 100 GLN C . 10280 1 1193 . 1 1 100 100 GLN CA C 13 59.704 0.300 . 1 . . . . 100 GLN CA . 10280 1 1194 . 1 1 100 100 GLN CB C 13 27.820 0.300 . 1 . . . . 100 GLN CB . 10280 1 1195 . 1 1 100 100 GLN CG C 13 34.646 0.300 . 1 . . . . 100 GLN CG . 10280 1 1196 . 1 1 100 100 GLN N N 15 120.375 0.300 . 1 . . . . 100 GLN N . 10280 1 1197 . 1 1 100 100 GLN NE2 N 15 110.167 0.300 . 1 . . . . 100 GLN NE2 . 10280 1 1198 . 1 1 101 101 ILE H H 1 7.942 0.030 . 1 . . . . 101 ILE H . 10280 1 1199 . 1 1 101 101 ILE HA H 1 3.833 0.030 . 1 . . . . 101 ILE HA . 10280 1 1200 . 1 1 101 101 ILE HB H 1 1.853 0.030 . 1 . . . . 101 ILE HB . 10280 1 1201 . 1 1 101 101 ILE HD11 H 1 0.823 0.030 . 1 . . . . 101 ILE HD1 . 10280 1 1202 . 1 1 101 101 ILE HD12 H 1 0.823 0.030 . 1 . . . . 101 ILE HD1 . 10280 1 1203 . 1 1 101 101 ILE HD13 H 1 0.823 0.030 . 1 . . . . 101 ILE HD1 . 10280 1 1204 . 1 1 101 101 ILE HG12 H 1 1.203 0.030 . 2 . . . . 101 ILE HG12 . 10280 1 1205 . 1 1 101 101 ILE HG13 H 1 1.763 0.030 . 2 . . . . 101 ILE HG13 . 10280 1 1206 . 1 1 101 101 ILE HG21 H 1 0.943 0.030 . 1 . . . . 101 ILE HG2 . 10280 1 1207 . 1 1 101 101 ILE HG22 H 1 0.943 0.030 . 1 . . . . 101 ILE HG2 . 10280 1 1208 . 1 1 101 101 ILE HG23 H 1 0.943 0.030 . 1 . . . . 101 ILE HG2 . 10280 1 1209 . 1 1 101 101 ILE C C 13 177.974 0.300 . 1 . . . . 101 ILE C . 10280 1 1210 . 1 1 101 101 ILE CA C 13 64.894 0.300 . 1 . . . . 101 ILE CA . 10280 1 1211 . 1 1 101 101 ILE CB C 13 38.347 0.300 . 1 . . . . 101 ILE CB . 10280 1 1212 . 1 1 101 101 ILE CD1 C 13 13.311 0.300 . 1 . . . . 101 ILE CD1 . 10280 1 1213 . 1 1 101 101 ILE CG1 C 13 29.136 0.300 . 1 . . . . 101 ILE CG1 . 10280 1 1214 . 1 1 101 101 ILE CG2 C 13 17.376 0.300 . 1 . . . . 101 ILE CG2 . 10280 1 1215 . 1 1 101 101 ILE N N 15 120.659 0.300 . 1 . . . . 101 ILE N . 10280 1 1216 . 1 1 102 102 CYS H H 1 7.704 0.030 . 1 . . . . 102 CYS H . 10280 1 1217 . 1 1 102 102 CYS HA H 1 4.413 0.030 . 1 . . . . 102 CYS HA . 10280 1 1218 . 1 1 102 102 CYS HB2 H 1 3.294 0.030 . 2 . . . . 102 CYS HB2 . 10280 1 1219 . 1 1 102 102 CYS HB3 H 1 2.913 0.030 . 2 . . . . 102 CYS HB3 . 10280 1 1220 . 1 1 102 102 CYS C C 13 177.137 0.300 . 1 . . . . 102 CYS C . 10280 1 1221 . 1 1 102 102 CYS CA C 13 62.836 0.300 . 1 . . . . 102 CYS CA . 10280 1 1222 . 1 1 102 102 CYS CB C 13 27.908 0.300 . 1 . . . . 102 CYS CB . 10280 1 1223 . 1 1 102 102 CYS N N 15 119.879 0.300 . 1 . . . . 102 CYS N . 10280 1 1224 . 1 1 103 103 THR H H 1 8.523 0.030 . 1 . . . . 103 THR H . 10280 1 1225 . 1 1 103 103 THR HA H 1 3.954 0.030 . 1 . . . . 103 THR HA . 10280 1 1226 . 1 1 103 103 THR HB H 1 4.333 0.030 . 1 . . . . 103 THR HB . 10280 1 1227 . 1 1 103 103 THR HG21 H 1 1.454 0.030 . 1 . . . . 103 THR HG2 . 10280 1 1228 . 1 1 103 103 THR HG22 H 1 1.454 0.030 . 1 . . . . 103 THR HG2 . 10280 1 1229 . 1 1 103 103 THR HG23 H 1 1.454 0.030 . 1 . . . . 103 THR HG2 . 10280 1 1230 . 1 1 103 103 THR C C 13 177.748 0.300 . 1 . . . . 103 THR C . 10280 1 1231 . 1 1 103 103 THR CA C 13 67.182 0.300 . 1 . . . . 103 THR CA . 10280 1 1232 . 1 1 103 103 THR CB C 13 69.221 0.300 . 1 . . . . 103 THR CB . 10280 1 1233 . 1 1 103 103 THR CG2 C 13 21.864 0.300 . 1 . . . . 103 THR CG2 . 10280 1 1234 . 1 1 103 103 THR N N 15 114.031 0.300 . 1 . . . . 103 THR N . 10280 1 1235 . 1 1 104 104 GLN H H 1 8.270 0.030 . 1 . . . . 104 GLN H . 10280 1 1236 . 1 1 104 104 GLN HA H 1 4.193 0.030 . 1 . . . . 104 GLN HA . 10280 1 1237 . 1 1 104 104 GLN HB2 H 1 2.223 0.030 . 1 . . . . 104 GLN HB2 . 10280 1 1238 . 1 1 104 104 GLN HB3 H 1 2.223 0.030 . 1 . . . . 104 GLN HB3 . 10280 1 1239 . 1 1 104 104 GLN HG2 H 1 2.420 0.030 . 2 . . . . 104 GLN HG2 . 10280 1 1240 . 1 1 104 104 GLN HG3 H 1 2.503 0.030 . 2 . . . . 104 GLN HG3 . 10280 1 1241 . 1 1 104 104 GLN C C 13 177.687 0.300 . 1 . . . . 104 GLN C . 10280 1 1242 . 1 1 104 104 GLN CA C 13 58.965 0.300 . 1 . . . . 104 GLN CA . 10280 1 1243 . 1 1 104 104 GLN CB C 13 28.108 0.300 . 1 . . . . 104 GLN CB . 10280 1 1244 . 1 1 104 104 GLN CG C 13 33.741 0.300 . 1 . . . . 104 GLN CG . 10280 1 1245 . 1 1 104 104 GLN N N 15 123.468 0.300 . 1 . . . . 104 GLN N . 10280 1 1246 . 1 1 105 105 HIS H H 1 7.963 0.030 . 1 . . . . 105 HIS H . 10280 1 1247 . 1 1 105 105 HIS HA H 1 4.423 0.030 . 1 . . . . 105 HIS HA . 10280 1 1248 . 1 1 105 105 HIS HB2 H 1 3.253 0.030 . 1 . . . . 105 HIS HB2 . 10280 1 1249 . 1 1 105 105 HIS HB3 H 1 3.253 0.030 . 1 . . . . 105 HIS HB3 . 10280 1 1250 . 1 1 105 105 HIS HD2 H 1 6.355 0.030 . 1 . . . . 105 HIS HD2 . 10280 1 1251 . 1 1 105 105 HIS HE1 H 1 7.883 0.030 . 1 . . . . 105 HIS HE1 . 10280 1 1252 . 1 1 105 105 HIS C C 13 177.284 0.300 . 1 . . . . 105 HIS C . 10280 1 1253 . 1 1 105 105 HIS CA C 13 58.895 0.300 . 1 . . . . 105 HIS CA . 10280 1 1254 . 1 1 105 105 HIS CB C 13 30.087 0.300 . 1 . . . . 105 HIS CB . 10280 1 1255 . 1 1 105 105 HIS CD2 C 13 119.660 0.300 . 1 . . . . 105 HIS CD2 . 10280 1 1256 . 1 1 105 105 HIS CE1 C 13 138.184 0.300 . 1 . . . . 105 HIS CE1 . 10280 1 1257 . 1 1 105 105 HIS N N 15 118.259 0.300 . 1 . . . . 105 HIS N . 10280 1 1258 . 1 1 106 106 HIS H H 1 8.184 0.030 . 1 . . . . 106 HIS H . 10280 1 1259 . 1 1 106 106 HIS HA H 1 4.323 0.030 . 1 . . . . 106 HIS HA . 10280 1 1260 . 1 1 106 106 HIS HB2 H 1 3.243 0.030 . 2 . . . . 106 HIS HB2 . 10280 1 1261 . 1 1 106 106 HIS HB3 H 1 2.883 0.030 . 2 . . . . 106 HIS HB3 . 10280 1 1262 . 1 1 106 106 HIS HD2 H 1 7.800 0.030 . 1 . . . . 106 HIS HD2 . 10280 1 1263 . 1 1 106 106 HIS HE1 H 1 7.806 0.030 . 1 . . . . 106 HIS HE1 . 10280 1 1264 . 1 1 106 106 HIS C C 13 176.294 0.300 . 1 . . . . 106 HIS C . 10280 1 1265 . 1 1 106 106 HIS CA C 13 58.947 0.300 . 1 . . . . 106 HIS CA . 10280 1 1266 . 1 1 106 106 HIS CB C 13 30.968 0.300 . 1 . . . . 106 HIS CB . 10280 1 1267 . 1 1 106 106 HIS CD2 C 13 119.828 0.300 . 1 . . . . 106 HIS CD2 . 10280 1 1268 . 1 1 106 106 HIS CE1 C 13 139.043 0.300 . 1 . . . . 106 HIS CE1 . 10280 1 1269 . 1 1 106 106 HIS N N 15 116.938 0.300 . 1 . . . . 106 HIS N . 10280 1 1270 . 1 1 107 107 THR H H 1 8.274 0.030 . 1 . . . . 107 THR H . 10280 1 1271 . 1 1 107 107 THR HA H 1 4.213 0.030 . 1 . . . . 107 THR HA . 10280 1 1272 . 1 1 107 107 THR HB H 1 4.332 0.030 . 1 . . . . 107 THR HB . 10280 1 1273 . 1 1 107 107 THR HG21 H 1 1.305 0.030 . 1 . . . . 107 THR HG2 . 10280 1 1274 . 1 1 107 107 THR HG22 H 1 1.305 0.030 . 1 . . . . 107 THR HG2 . 10280 1 1275 . 1 1 107 107 THR HG23 H 1 1.305 0.030 . 1 . . . . 107 THR HG2 . 10280 1 1276 . 1 1 107 107 THR C C 13 175.347 0.300 . 1 . . . . 107 THR C . 10280 1 1277 . 1 1 107 107 THR CA C 13 65.167 0.300 . 1 . . . . 107 THR CA . 10280 1 1278 . 1 1 107 107 THR CB C 13 69.267 0.300 . 1 . . . . 107 THR CB . 10280 1 1279 . 1 1 107 107 THR CG2 C 13 21.285 0.300 . 1 . . . . 107 THR CG2 . 10280 1 1280 . 1 1 107 107 THR N N 15 116.875 0.300 . 1 . . . . 107 THR N . 10280 1 1281 . 1 1 108 108 GLU H H 1 8.314 0.030 . 1 . . . . 108 GLU H . 10280 1 1282 . 1 1 108 108 GLU HA H 1 4.184 0.030 . 1 . . . . 108 GLU HA . 10280 1 1283 . 1 1 108 108 GLU HB2 H 1 2.043 0.030 . 1 . . . . 108 GLU HB2 . 10280 1 1284 . 1 1 108 108 GLU HB3 H 1 2.043 0.030 . 1 . . . . 108 GLU HB3 . 10280 1 1285 . 1 1 108 108 GLU HG2 H 1 2.275 0.030 . 2 . . . . 108 GLU HG2 . 10280 1 1286 . 1 1 108 108 GLU HG3 H 1 2.403 0.030 . 2 . . . . 108 GLU HG3 . 10280 1 1287 . 1 1 108 108 GLU C C 13 176.955 0.300 . 1 . . . . 108 GLU C . 10280 1 1288 . 1 1 108 108 GLU CA C 13 57.733 0.300 . 1 . . . . 108 GLU CA . 10280 1 1289 . 1 1 108 108 GLU CB C 13 29.835 0.300 . 1 . . . . 108 GLU CB . 10280 1 1290 . 1 1 108 108 GLU CG C 13 36.373 0.300 . 1 . . . . 108 GLU CG . 10280 1 1291 . 1 1 108 108 GLU N N 15 123.078 0.300 . 1 . . . . 108 GLU N . 10280 1 1292 . 1 1 109 109 ALA H H 1 7.857 0.030 . 1 . . . . 109 ALA H . 10280 1 1293 . 1 1 109 109 ALA HA H 1 4.233 0.030 . 1 . . . . 109 ALA HA . 10280 1 1294 . 1 1 109 109 ALA HB1 H 1 1.363 0.030 . 1 . . . . 109 ALA HB . 10280 1 1295 . 1 1 109 109 ALA HB2 H 1 1.363 0.030 . 1 . . . . 109 ALA HB . 10280 1 1296 . 1 1 109 109 ALA HB3 H 1 1.363 0.030 . 1 . . . . 109 ALA HB . 10280 1 1297 . 1 1 109 109 ALA C C 13 178.241 0.300 . 1 . . . . 109 ALA C . 10280 1 1298 . 1 1 109 109 ALA CA C 13 52.976 0.300 . 1 . . . . 109 ALA CA . 10280 1 1299 . 1 1 109 109 ALA CB C 13 18.966 0.300 . 1 . . . . 109 ALA CB . 10280 1 1300 . 1 1 109 109 ALA N N 15 122.402 0.300 . 1 . . . . 109 ALA N . 10280 1 1301 . 1 1 110 110 ILE H H 1 7.741 0.030 . 1 . . . . 110 ILE H . 10280 1 1302 . 1 1 110 110 ILE HA H 1 4.083 0.030 . 1 . . . . 110 ILE HA . 10280 1 1303 . 1 1 110 110 ILE HB H 1 1.923 0.030 . 1 . . . . 110 ILE HB . 10280 1 1304 . 1 1 110 110 ILE HD11 H 1 0.902 0.030 . 1 . . . . 110 ILE HD1 . 10280 1 1305 . 1 1 110 110 ILE HD12 H 1 0.902 0.030 . 1 . . . . 110 ILE HD1 . 10280 1 1306 . 1 1 110 110 ILE HD13 H 1 0.902 0.030 . 1 . . . . 110 ILE HD1 . 10280 1 1307 . 1 1 110 110 ILE HG12 H 1 1.252 0.030 . 2 . . . . 110 ILE HG12 . 10280 1 1308 . 1 1 110 110 ILE HG13 H 1 1.624 0.030 . 2 . . . . 110 ILE HG13 . 10280 1 1309 . 1 1 110 110 ILE HG21 H 1 0.953 0.030 . 1 . . . . 110 ILE HG2 . 10280 1 1310 . 1 1 110 110 ILE HG22 H 1 0.953 0.030 . 1 . . . . 110 ILE HG2 . 10280 1 1311 . 1 1 110 110 ILE HG23 H 1 0.953 0.030 . 1 . . . . 110 ILE HG2 . 10280 1 1312 . 1 1 110 110 ILE C C 13 177.333 0.300 . 1 . . . . 110 ILE C . 10280 1 1313 . 1 1 110 110 ILE CA C 13 62.308 0.300 . 1 . . . . 110 ILE CA . 10280 1 1314 . 1 1 110 110 ILE CB C 13 38.388 0.300 . 1 . . . . 110 ILE CB . 10280 1 1315 . 1 1 110 110 ILE CD1 C 13 13.264 0.300 . 1 . . . . 110 ILE CD1 . 10280 1 1316 . 1 1 110 110 ILE CG1 C 13 27.656 0.300 . 1 . . . . 110 ILE CG1 . 10280 1 1317 . 1 1 110 110 ILE CG2 C 13 17.376 0.300 . 1 . . . . 110 ILE CG2 . 10280 1 1318 . 1 1 110 110 ILE N N 15 118.644 0.300 . 1 . . . . 110 ILE N . 10280 1 1319 . 1 1 111 111 GLY H H 1 8.310 0.030 . 1 . . . . 111 GLY H . 10280 1 1320 . 1 1 111 111 GLY HA2 H 1 3.973 0.030 . 1 . . . . 111 GLY HA2 . 10280 1 1321 . 1 1 111 111 GLY HA3 H 1 3.973 0.030 . 1 . . . . 111 GLY HA3 . 10280 1 1322 . 1 1 111 111 GLY C C 13 174.454 0.300 . 1 . . . . 111 GLY C . 10280 1 1323 . 1 1 111 111 GLY CA C 13 45.524 0.300 . 1 . . . . 111 GLY CA . 10280 1 1324 . 1 1 111 111 GLY N N 15 111.746 0.300 . 1 . . . . 111 GLY N . 10280 1 1325 . 1 1 112 112 LYS H H 1 8.012 0.030 . 1 . . . . 112 LYS H . 10280 1 1326 . 1 1 112 112 LYS HA H 1 4.329 0.030 . 1 . . . . 112 LYS HA . 10280 1 1327 . 1 1 112 112 LYS HB2 H 1 1.773 0.030 . 2 . . . . 112 LYS HB2 . 10280 1 1328 . 1 1 112 112 LYS HB3 H 1 1.853 0.030 . 2 . . . . 112 LYS HB3 . 10280 1 1329 . 1 1 112 112 LYS HD2 H 1 1.679 0.030 . 1 . . . . 112 LYS HD2 . 10280 1 1330 . 1 1 112 112 LYS HD3 H 1 1.679 0.030 . 1 . . . . 112 LYS HD3 . 10280 1 1331 . 1 1 112 112 LYS HG2 H 1 1.402 0.030 . 2 . . . . 112 LYS HG2 . 10280 1 1332 . 1 1 112 112 LYS HG3 H 1 1.453 0.030 . 2 . . . . 112 LYS HG3 . 10280 1 1333 . 1 1 112 112 LYS C C 13 176.539 0.300 . 1 . . . . 112 LYS C . 10280 1 1334 . 1 1 112 112 LYS CA C 13 56.431 0.300 . 1 . . . . 112 LYS CA . 10280 1 1335 . 1 1 112 112 LYS CB C 13 33.001 0.300 . 1 . . . . 112 LYS CB . 10280 1 1336 . 1 1 112 112 LYS CD C 13 29.218 0.300 . 1 . . . . 112 LYS CD . 10280 1 1337 . 1 1 112 112 LYS CE C 13 42.294 0.300 . 1 . . . . 112 LYS CE . 10280 1 1338 . 1 1 112 112 LYS CG C 13 24.695 0.300 . 1 . . . . 112 LYS CG . 10280 1 1339 . 1 1 112 112 LYS N N 15 120.501 0.300 . 1 . . . . 112 LYS N . 10280 1 1340 . 1 1 113 113 ASN H H 1 8.466 0.030 . 1 . . . . 113 ASN H . 10280 1 1341 . 1 1 113 113 ASN HA H 1 4.698 0.030 . 1 . . . . 113 ASN HA . 10280 1 1342 . 1 1 113 113 ASN HB2 H 1 2.801 0.030 . 1 . . . . 113 ASN HB2 . 10280 1 1343 . 1 1 113 113 ASN HB3 H 1 2.801 0.030 . 1 . . . . 113 ASN HB3 . 10280 1 1344 . 1 1 113 113 ASN C C 13 175.055 0.300 . 1 . . . . 113 ASN C . 10280 1 1345 . 1 1 113 113 ASN CA C 13 53.405 0.300 . 1 . . . . 113 ASN CA . 10280 1 1346 . 1 1 113 113 ASN CB C 13 38.840 0.300 . 1 . . . . 113 ASN CB . 10280 1 1347 . 1 1 113 113 ASN N N 15 119.187 0.300 . 1 . . . . 113 ASN N . 10280 1 1348 . 1 1 114 114 ASN H H 1 8.409 0.030 . 1 . . . . 114 ASN H . 10280 1 1349 . 1 1 114 114 ASN HA H 1 4.764 0.030 . 1 . . . . 114 ASN HA . 10280 1 1350 . 1 1 114 114 ASN HB2 H 1 2.815 0.030 . 1 . . . . 114 ASN HB2 . 10280 1 1351 . 1 1 114 114 ASN HB3 H 1 2.815 0.030 . 1 . . . . 114 ASN HB3 . 10280 1 1352 . 1 1 114 114 ASN C C 13 175.193 0.300 . 1 . . . . 114 ASN C . 10280 1 1353 . 1 1 114 114 ASN CA C 13 53.388 0.300 . 1 . . . . 114 ASN CA . 10280 1 1354 . 1 1 114 114 ASN CB C 13 38.840 0.300 . 1 . . . . 114 ASN CB . 10280 1 1355 . 1 1 114 114 ASN N N 15 119.585 0.300 . 1 . . . . 114 ASN N . 10280 1 1356 . 1 1 115 115 SER H H 1 8.303 0.030 . 1 . . . . 115 SER H . 10280 1 1357 . 1 1 115 115 SER HA H 1 4.487 0.030 . 1 . . . . 115 SER HA . 10280 1 1358 . 1 1 115 115 SER HB2 H 1 3.895 0.030 . 1 . . . . 115 SER HB2 . 10280 1 1359 . 1 1 115 115 SER HB3 H 1 3.895 0.030 . 1 . . . . 115 SER HB3 . 10280 1 1360 . 1 1 115 115 SER C C 13 174.557 0.300 . 1 . . . . 115 SER C . 10280 1 1361 . 1 1 115 115 SER CA C 13 58.490 0.300 . 1 . . . . 115 SER CA . 10280 1 1362 . 1 1 115 115 SER CB C 13 63.922 0.300 . 1 . . . . 115 SER CB . 10280 1 1363 . 1 1 115 115 SER N N 15 116.056 0.300 . 1 . . . . 115 SER N . 10280 1 1364 . 1 1 116 116 GLY H H 1 8.270 0.030 . 1 . . . . 116 GLY H . 10280 1 1365 . 1 1 116 116 GLY HA2 H 1 3.881 0.030 . 2 . . . . 116 GLY HA2 . 10280 1 1366 . 1 1 116 116 GLY HA3 H 1 4.487 0.030 . 2 . . . . 116 GLY HA3 . 10280 1 1367 . 1 1 116 116 GLY C C 13 171.825 0.300 . 1 . . . . 116 GLY C . 10280 1 1368 . 1 1 116 116 GLY CA C 13 44.644 0.300 . 1 . . . . 116 GLY CA . 10280 1 1369 . 1 1 116 116 GLY N N 15 110.704 0.300 . 1 . . . . 116 GLY N . 10280 1 1370 . 1 1 117 117 PRO HA H 1 4.492 0.030 . 1 . . . . 117 PRO HA . 10280 1 1371 . 1 1 117 117 PRO HB2 H 1 2.288 0.030 . 2 . . . . 117 PRO HB2 . 10280 1 1372 . 1 1 117 117 PRO HB3 H 1 1.945 0.030 . 2 . . . . 117 PRO HB3 . 10280 1 1373 . 1 1 117 117 PRO HD2 H 1 3.643 0.030 . 1 . . . . 117 PRO HD2 . 10280 1 1374 . 1 1 117 117 PRO HD3 H 1 3.643 0.030 . 1 . . . . 117 PRO HD3 . 10280 1 1375 . 1 1 117 117 PRO HG2 H 1 2.032 0.030 . 1 . . . . 117 PRO HG2 . 10280 1 1376 . 1 1 117 117 PRO HG3 H 1 2.032 0.030 . 1 . . . . 117 PRO HG3 . 10280 1 1377 . 1 1 117 117 PRO C C 13 177.431 0.300 . 1 . . . . 117 PRO C . 10280 1 1378 . 1 1 117 117 PRO CA C 13 63.258 0.300 . 1 . . . . 117 PRO CA . 10280 1 1379 . 1 1 117 117 PRO CB C 13 32.179 0.300 . 1 . . . . 117 PRO CB . 10280 1 1380 . 1 1 117 117 PRO CD C 13 49.834 0.300 . 1 . . . . 117 PRO CD . 10280 1 1381 . 1 1 117 117 PRO CG C 13 27.080 0.300 . 1 . . . . 117 PRO CG . 10280 1 1382 . 1 1 118 118 SER H H 1 8.534 0.030 . 1 . . . . 118 SER H . 10280 1 1383 . 1 1 118 118 SER C C 13 174.733 0.300 . 1 . . . . 118 SER C . 10280 1 1384 . 1 1 118 118 SER CA C 13 58.367 0.300 . 1 . . . . 118 SER CA . 10280 1 1385 . 1 1 118 118 SER CB C 13 63.922 0.300 . 1 . . . . 118 SER CB . 10280 1 1386 . 1 1 118 118 SER N N 15 116.472 0.300 . 1 . . . . 118 SER N . 10280 1 stop_ save_