data_10337 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10337 _Entry.Title ; Solution structure of SH3 domain in Suppressor of T-cell receptor signaling 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-13 _Entry.Accession_date 2011-01-13 _Entry.Last_release_date 2012-08-14 _Entry.Original_release_date 2012-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.0.46 _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 S. Sukegawa . . . 10337 2 K. Tsuda . . . 10337 3 Y. Muto . . . 10337 4 M. Inoue . . . 10337 5 T. Kigawa . . . 10337 6 T. Terada . . . 10337 7 M. Shirouzu . . . 10337 8 S. Yokoyama . . . 10337 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' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 10337 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10337 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 10337 '15N chemical shifts' 79 10337 '1H chemical shifts' 539 10337 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 . . 2012-08-14 2011-01-13 original author . 10337 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E5K 'BMRB Entry Tracking System' 10337 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10337 _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 SH3 domain in Suppressor of T-cell receptor signaling 1' _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 S. Sukegawa . . . 10337 1 2 K. Tsuda . . . 10337 1 3 Y. Muto . . . 10337 1 4 M. Inoue . . . 10337 1 5 T. Kigawa . . . 10337 1 6 T. Terada . . . 10337 1 7 M. Shirouzu . . . 10337 1 8 S. Yokoyama . . . 10337 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10337 _Assembly.ID 1 _Assembly.Name 'Suppressor of T-cell receptor signaling 1' _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 'SH3 domain' 1 $entity_1 . . yes native no no . . . 10337 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 yes PDB 2e5k . . . . . . 10337 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10337 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGSRDIRFANHETLQ VIYPYTPQNDDELELVPGDF IFMSPMEQTSTSEGWIYGTS LTTGCSGLLPENYITKADEC STWIFHGSSGPSSG ; _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 94 _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 2E5K . "Solution Structure Of Sh3 Domain In Suppressor Of T-Cell Receptor Signaling 1" . . . . . 100.00 94 100.00 100.00 5.66e-61 . . . . 10337 1 2 no DBJ BAB85545 . "KIAA1959 protein [Homo sapiens]" . . . . . 86.17 649 100.00 100.00 1.22e-48 . . . . 10337 1 3 no DBJ BAC11468 . "unnamed protein product [Homo sapiens]" . . . . . 86.17 649 100.00 100.00 1.22e-48 . . . . 10337 1 4 no DBJ BAC25403 . "unnamed protein product [Mus musculus]" . . . . . 86.17 516 98.77 100.00 1.04e-48 . . . . 10337 1 5 no DBJ BAC28714 . "unnamed protein product [Mus musculus]" . . . . . 86.17 638 98.77 100.00 3.14e-48 . . . . 10337 1 6 no DBJ BAC29178 . "unnamed protein product [Mus musculus]" . . . . . 86.17 638 98.77 100.00 3.14e-48 . . . . 10337 1 7 no GB AAH07541 . "Ubiquitin associated and SH3 domain containing, B [Homo sapiens]" . . . . . 86.17 649 100.00 100.00 1.22e-48 . . . . 10337 1 8 no GB AAH53436 . "Ubiquitin associated and SH3 domain containing, B [Mus musculus]" . . . . . 86.17 638 98.77 100.00 3.14e-48 . . . . 10337 1 9 no GB AAL16953 . "nm23-phosphorylated unknown substrate [Homo sapiens]" . . . . . 86.17 516 100.00 100.00 3.87e-49 . . . . 10337 1 10 no GB AIC52640 . "UBASH3B, partial [synthetic construct]" . . . . . 86.17 649 100.00 100.00 1.22e-48 . . . . 10337 1 11 no GB EAW67531 . "Cbl-interacting protein Sts-1 [Homo sapiens]" . . . . . 86.17 649 100.00 100.00 1.22e-48 . . . . 10337 1 12 no REF NP_001178721 . "ubiquitin-associated and SH3 domain-containing protein B [Rattus norvegicus]" . . . . . 86.17 638 98.77 100.00 3.11e-48 . . . . 10337 1 13 no REF NP_001193057 . "ubiquitin-associated and SH3 domain-containing protein B [Bos taurus]" . . . . . 86.17 649 100.00 100.00 1.14e-48 . . . . 10337 1 14 no REF NP_001248215 . "ubiquitin-associated and SH3 domain-containing protein B [Macaca mulatta]" . . . . . 86.17 649 100.00 100.00 1.14e-48 . . . . 10337 1 15 no REF NP_116262 . "ubiquitin-associated and SH3 domain-containing protein B [Homo sapiens]" . . . . . 86.17 649 100.00 100.00 1.22e-48 . . . . 10337 1 16 no REF NP_789830 . "ubiquitin-associated and SH3 domain-containing protein B [Mus musculus]" . . . . . 86.17 638 98.77 100.00 3.14e-48 . . . . 10337 1 17 no SP Q8BGG7 . "RecName: Full=Ubiquitin-associated and SH3 domain-containing protein B; AltName: Full=Cbl-interacting protein p70; AltName: Ful" . . . . . 86.17 638 98.77 100.00 3.14e-48 . . . . 10337 1 18 no SP Q8TF42 . "RecName: Full=Ubiquitin-associated and SH3 domain-containing protein B; AltName: Full=Cbl-interacting protein p70; AltName: Ful" . . . . . 86.17 649 100.00 100.00 1.22e-48 . . . . 10337 1 19 no TPG DAA22276 . "TPA: KIAA1959 protein-like [Bos taurus]" . . . . . 86.17 649 100.00 100.00 1.14e-48 . . . . 10337 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 10337 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 . 10337 1 2 . SER . 10337 1 3 . SER . 10337 1 4 . GLY . 10337 1 5 . SER . 10337 1 6 . SER . 10337 1 7 . GLY . 10337 1 8 . SER . 10337 1 9 . ARG . 10337 1 10 . ASP . 10337 1 11 . ILE . 10337 1 12 . ARG . 10337 1 13 . PHE . 10337 1 14 . ALA . 10337 1 15 . ASN . 10337 1 16 . HIS . 10337 1 17 . GLU . 10337 1 18 . THR . 10337 1 19 . LEU . 10337 1 20 . GLN . 10337 1 21 . VAL . 10337 1 22 . ILE . 10337 1 23 . TYR . 10337 1 24 . PRO . 10337 1 25 . TYR . 10337 1 26 . THR . 10337 1 27 . PRO . 10337 1 28 . GLN . 10337 1 29 . ASN . 10337 1 30 . ASP . 10337 1 31 . ASP . 10337 1 32 . GLU . 10337 1 33 . LEU . 10337 1 34 . GLU . 10337 1 35 . LEU . 10337 1 36 . VAL . 10337 1 37 . PRO . 10337 1 38 . GLY . 10337 1 39 . ASP . 10337 1 40 . PHE . 10337 1 41 . ILE . 10337 1 42 . PHE . 10337 1 43 . MET . 10337 1 44 . SER . 10337 1 45 . PRO . 10337 1 46 . MET . 10337 1 47 . GLU . 10337 1 48 . GLN . 10337 1 49 . THR . 10337 1 50 . SER . 10337 1 51 . THR . 10337 1 52 . SER . 10337 1 53 . GLU . 10337 1 54 . GLY . 10337 1 55 . TRP . 10337 1 56 . ILE . 10337 1 57 . TYR . 10337 1 58 . GLY . 10337 1 59 . THR . 10337 1 60 . SER . 10337 1 61 . LEU . 10337 1 62 . THR . 10337 1 63 . THR . 10337 1 64 . GLY . 10337 1 65 . CYS . 10337 1 66 . SER . 10337 1 67 . GLY . 10337 1 68 . LEU . 10337 1 69 . LEU . 10337 1 70 . PRO . 10337 1 71 . GLU . 10337 1 72 . ASN . 10337 1 73 . TYR . 10337 1 74 . ILE . 10337 1 75 . THR . 10337 1 76 . LYS . 10337 1 77 . ALA . 10337 1 78 . ASP . 10337 1 79 . GLU . 10337 1 80 . CYS . 10337 1 81 . SER . 10337 1 82 . THR . 10337 1 83 . TRP . 10337 1 84 . ILE . 10337 1 85 . PHE . 10337 1 86 . HIS . 10337 1 87 . GLY . 10337 1 88 . SER . 10337 1 89 . SER . 10337 1 90 . GLY . 10337 1 91 . PRO . 10337 1 92 . SER . 10337 1 93 . SER . 10337 1 94 . GLY . 10337 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 10337 1 . SER 2 2 10337 1 . SER 3 3 10337 1 . GLY 4 4 10337 1 . SER 5 5 10337 1 . SER 6 6 10337 1 . GLY 7 7 10337 1 . SER 8 8 10337 1 . ARG 9 9 10337 1 . ASP 10 10 10337 1 . ILE 11 11 10337 1 . ARG 12 12 10337 1 . PHE 13 13 10337 1 . ALA 14 14 10337 1 . ASN 15 15 10337 1 . HIS 16 16 10337 1 . GLU 17 17 10337 1 . THR 18 18 10337 1 . LEU 19 19 10337 1 . GLN 20 20 10337 1 . VAL 21 21 10337 1 . ILE 22 22 10337 1 . TYR 23 23 10337 1 . PRO 24 24 10337 1 . TYR 25 25 10337 1 . THR 26 26 10337 1 . PRO 27 27 10337 1 . GLN 28 28 10337 1 . ASN 29 29 10337 1 . ASP 30 30 10337 1 . ASP 31 31 10337 1 . GLU 32 32 10337 1 . LEU 33 33 10337 1 . GLU 34 34 10337 1 . LEU 35 35 10337 1 . VAL 36 36 10337 1 . PRO 37 37 10337 1 . GLY 38 38 10337 1 . ASP 39 39 10337 1 . PHE 40 40 10337 1 . ILE 41 41 10337 1 . PHE 42 42 10337 1 . MET 43 43 10337 1 . SER 44 44 10337 1 . PRO 45 45 10337 1 . MET 46 46 10337 1 . GLU 47 47 10337 1 . GLN 48 48 10337 1 . THR 49 49 10337 1 . SER 50 50 10337 1 . THR 51 51 10337 1 . SER 52 52 10337 1 . GLU 53 53 10337 1 . GLY 54 54 10337 1 . TRP 55 55 10337 1 . ILE 56 56 10337 1 . TYR 57 57 10337 1 . GLY 58 58 10337 1 . THR 59 59 10337 1 . SER 60 60 10337 1 . LEU 61 61 10337 1 . THR 62 62 10337 1 . THR 63 63 10337 1 . GLY 64 64 10337 1 . CYS 65 65 10337 1 . SER 66 66 10337 1 . GLY 67 67 10337 1 . LEU 68 68 10337 1 . LEU 69 69 10337 1 . PRO 70 70 10337 1 . GLU 71 71 10337 1 . ASN 72 72 10337 1 . TYR 73 73 10337 1 . ILE 74 74 10337 1 . THR 75 75 10337 1 . LYS 76 76 10337 1 . ALA 77 77 10337 1 . ASP 78 78 10337 1 . GLU 79 79 10337 1 . CYS 80 80 10337 1 . SER 81 81 10337 1 . THR 82 82 10337 1 . TRP 83 83 10337 1 . ILE 84 84 10337 1 . PHE 85 85 10337 1 . HIS 86 86 10337 1 . GLY 87 87 10337 1 . SER 88 88 10337 1 . SER 89 89 10337 1 . GLY 90 90 10337 1 . PRO 91 91 10337 1 . SER 92 92 10337 1 . SER 93 93 10337 1 . GLY 94 94 10337 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 10337 _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 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10337 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 10337 _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' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050704-22 . . . . . . 10337 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10337 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.18mM 13C-15N PROTEIN, 20mM d-Tris-HCl(pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 90% H2O, 10% D2O ; _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.18 . . mM . . . . 10337 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 10337 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 10337 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 10337 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 10337 1 6 H2O . . . . . . solvent 90 . . % . . . . 10337 1 7 D2O . . . . . . solvent 10 . . % . . . . 10337 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 10337 _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 10337 1 pH 7.0 0.05 pH 10337 1 pressure 1 0.001 atm 10337 1 temperature 298 0.1 K 10337 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 10337 _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 . . 10337 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10337 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 10337 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060702 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10337 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10337 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 10337 _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.' . . 10337 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10337 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 10337 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10337 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10337 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 10337 _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.' . . 10337 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10337 5 'structure solution' 10337 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 10337 _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 10337 _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 . . . 10337 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 10337 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10337 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10337 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 10337 _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 . . . . . . . . . 10337 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10337 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10337 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 10337 _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 10337 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10337 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 10337 1 2 $NMRPipe . . 10337 1 3 $NMRview . . 10337 1 4 $Kujira . . 10337 1 5 $CYANA . . 10337 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 9 9 ARG HA H 1 4.275 0.030 . 1 . . . . 9 ARG HA . 10337 1 2 . 1 1 9 9 ARG HB2 H 1 1.687 0.030 . 2 . . . . 9 ARG HB2 . 10337 1 3 . 1 1 9 9 ARG HB3 H 1 1.785 0.030 . 2 . . . . 9 ARG HB3 . 10337 1 4 . 1 1 9 9 ARG HD2 H 1 3.022 0.030 . 1 . . . . 9 ARG HD2 . 10337 1 5 . 1 1 9 9 ARG HD3 H 1 3.022 0.030 . 1 . . . . 9 ARG HD3 . 10337 1 6 . 1 1 9 9 ARG HG2 H 1 1.538 0.030 . 1 . . . . 9 ARG HG2 . 10337 1 7 . 1 1 9 9 ARG HG3 H 1 1.538 0.030 . 1 . . . . 9 ARG HG3 . 10337 1 8 . 1 1 9 9 ARG C C 13 175.708 0.300 . 1 . . . . 9 ARG C . 10337 1 9 . 1 1 9 9 ARG CA C 13 56.107 0.300 . 1 . . . . 9 ARG CA . 10337 1 10 . 1 1 9 9 ARG CB C 13 30.915 0.300 . 1 . . . . 9 ARG CB . 10337 1 11 . 1 1 9 9 ARG CD C 13 43.392 0.300 . 1 . . . . 9 ARG CD . 10337 1 12 . 1 1 9 9 ARG CG C 13 26.869 0.300 . 1 . . . . 9 ARG CG . 10337 1 13 . 1 1 10 10 ASP H H 1 8.337 0.030 . 1 . . . . 10 ASP H . 10337 1 14 . 1 1 10 10 ASP HA H 1 4.509 0.030 . 1 . . . . 10 ASP HA . 10337 1 15 . 1 1 10 10 ASP HB2 H 1 2.563 0.030 . 2 . . . . 10 ASP HB2 . 10337 1 16 . 1 1 10 10 ASP HB3 H 1 2.710 0.030 . 2 . . . . 10 ASP HB3 . 10337 1 17 . 1 1 10 10 ASP C C 13 176.952 0.300 . 1 . . . . 10 ASP C . 10337 1 18 . 1 1 10 10 ASP CA C 13 54.452 0.300 . 1 . . . . 10 ASP CA . 10337 1 19 . 1 1 10 10 ASP CB C 13 41.605 0.300 . 1 . . . . 10 ASP CB . 10337 1 20 . 1 1 10 10 ASP N N 15 122.324 0.300 . 1 . . . . 10 ASP N . 10337 1 21 . 1 1 11 11 ILE H H 1 8.143 0.030 . 1 . . . . 11 ILE H . 10337 1 22 . 1 1 11 11 ILE HA H 1 4.020 0.030 . 1 . . . . 11 ILE HA . 10337 1 23 . 1 1 11 11 ILE HB H 1 1.854 0.030 . 1 . . . . 11 ILE HB . 10337 1 24 . 1 1 11 11 ILE HD11 H 1 0.799 0.030 . 1 . . . . 11 ILE HD1 . 10337 1 25 . 1 1 11 11 ILE HD12 H 1 0.799 0.030 . 1 . . . . 11 ILE HD1 . 10337 1 26 . 1 1 11 11 ILE HD13 H 1 0.799 0.030 . 1 . . . . 11 ILE HD1 . 10337 1 27 . 1 1 11 11 ILE HG12 H 1 1.159 0.030 . 2 . . . . 11 ILE HG12 . 10337 1 28 . 1 1 11 11 ILE HG13 H 1 1.339 0.030 . 2 . . . . 11 ILE HG13 . 10337 1 29 . 1 1 11 11 ILE HG21 H 1 0.813 0.030 . 1 . . . . 11 ILE HG2 . 10337 1 30 . 1 1 11 11 ILE HG22 H 1 0.813 0.030 . 1 . . . . 11 ILE HG2 . 10337 1 31 . 1 1 11 11 ILE HG23 H 1 0.813 0.030 . 1 . . . . 11 ILE HG2 . 10337 1 32 . 1 1 11 11 ILE C C 13 176.687 0.300 . 1 . . . . 11 ILE C . 10337 1 33 . 1 1 11 11 ILE CA C 13 62.149 0.300 . 1 . . . . 11 ILE CA . 10337 1 34 . 1 1 11 11 ILE CB C 13 38.447 0.300 . 1 . . . . 11 ILE CB . 10337 1 35 . 1 1 11 11 ILE CD1 C 13 13.500 0.300 . 1 . . . . 11 ILE CD1 . 10337 1 36 . 1 1 11 11 ILE CG1 C 13 27.501 0.300 . 1 . . . . 11 ILE CG1 . 10337 1 37 . 1 1 11 11 ILE CG2 C 13 17.661 0.300 . 1 . . . . 11 ILE CG2 . 10337 1 38 . 1 1 11 11 ILE N N 15 123.143 0.300 . 1 . . . . 11 ILE N . 10337 1 39 . 1 1 12 12 ARG H H 1 8.336 0.030 . 1 . . . . 12 ARG H . 10337 1 40 . 1 1 12 12 ARG HA H 1 3.950 0.030 . 1 . . . . 12 ARG HA . 10337 1 41 . 1 1 12 12 ARG HB2 H 1 1.221 0.030 . 2 . . . . 12 ARG HB2 . 10337 1 42 . 1 1 12 12 ARG HB3 H 1 1.373 0.030 . 2 . . . . 12 ARG HB3 . 10337 1 43 . 1 1 12 12 ARG HD2 H 1 2.916 0.030 . 2 . . . . 12 ARG HD2 . 10337 1 44 . 1 1 12 12 ARG HD3 H 1 2.860 0.030 . 2 . . . . 12 ARG HD3 . 10337 1 45 . 1 1 12 12 ARG HG2 H 1 1.123 0.030 . 1 . . . . 12 ARG HG2 . 10337 1 46 . 1 1 12 12 ARG HG3 H 1 1.123 0.030 . 1 . . . . 12 ARG HG3 . 10337 1 47 . 1 1 12 12 ARG C C 13 176.619 0.300 . 1 . . . . 12 ARG C . 10337 1 48 . 1 1 12 12 ARG CA C 13 57.418 0.300 . 1 . . . . 12 ARG CA . 10337 1 49 . 1 1 12 12 ARG CB C 13 30.124 0.300 . 1 . . . . 12 ARG CB . 10337 1 50 . 1 1 12 12 ARG CD C 13 43.322 0.300 . 1 . . . . 12 ARG CD . 10337 1 51 . 1 1 12 12 ARG CG C 13 26.535 0.300 . 1 . . . . 12 ARG CG . 10337 1 52 . 1 1 12 12 ARG N N 15 123.002 0.300 . 1 . . . . 12 ARG N . 10337 1 53 . 1 1 13 13 PHE H H 1 7.769 0.030 . 1 . . . . 13 PHE H . 10337 1 54 . 1 1 13 13 PHE HA H 1 4.503 0.030 . 1 . . . . 13 PHE HA . 10337 1 55 . 1 1 13 13 PHE HB2 H 1 2.418 0.030 . 2 . . . . 13 PHE HB2 . 10337 1 56 . 1 1 13 13 PHE HB3 H 1 2.806 0.030 . 2 . . . . 13 PHE HB3 . 10337 1 57 . 1 1 13 13 PHE HD1 H 1 6.618 0.030 . 1 . . . . 13 PHE HD1 . 10337 1 58 . 1 1 13 13 PHE HD2 H 1 6.618 0.030 . 1 . . . . 13 PHE HD2 . 10337 1 59 . 1 1 13 13 PHE HE1 H 1 7.097 0.030 . 1 . . . . 13 PHE HE1 . 10337 1 60 . 1 1 13 13 PHE HE2 H 1 7.097 0.030 . 1 . . . . 13 PHE HE2 . 10337 1 61 . 1 1 13 13 PHE C C 13 176.058 0.300 . 1 . . . . 13 PHE C . 10337 1 62 . 1 1 13 13 PHE CA C 13 56.841 0.300 . 1 . . . . 13 PHE CA . 10337 1 63 . 1 1 13 13 PHE CB C 13 38.918 0.300 . 1 . . . . 13 PHE CB . 10337 1 64 . 1 1 13 13 PHE CD1 C 13 131.269 0.300 . 1 . . . . 13 PHE CD1 . 10337 1 65 . 1 1 13 13 PHE CD2 C 13 131.269 0.300 . 1 . . . . 13 PHE CD2 . 10337 1 66 . 1 1 13 13 PHE CE1 C 13 130.911 0.300 . 1 . . . . 13 PHE CE1 . 10337 1 67 . 1 1 13 13 PHE CE2 C 13 130.911 0.300 . 1 . . . . 13 PHE CE2 . 10337 1 68 . 1 1 13 13 PHE N N 15 117.507 0.300 . 1 . . . . 13 PHE N . 10337 1 69 . 1 1 14 14 ALA H H 1 7.763 0.030 . 1 . . . . 14 ALA H . 10337 1 70 . 1 1 14 14 ALA HA H 1 4.153 0.030 . 1 . . . . 14 ALA HA . 10337 1 71 . 1 1 14 14 ALA HB1 H 1 1.368 0.030 . 1 . . . . 14 ALA HB . 10337 1 72 . 1 1 14 14 ALA HB2 H 1 1.368 0.030 . 1 . . . . 14 ALA HB . 10337 1 73 . 1 1 14 14 ALA HB3 H 1 1.368 0.030 . 1 . . . . 14 ALA HB . 10337 1 74 . 1 1 14 14 ALA C C 13 177.773 0.300 . 1 . . . . 14 ALA C . 10337 1 75 . 1 1 14 14 ALA CA C 13 53.831 0.300 . 1 . . . . 14 ALA CA . 10337 1 76 . 1 1 14 14 ALA CB C 13 19.348 0.300 . 1 . . . . 14 ALA CB . 10337 1 77 . 1 1 14 14 ALA N N 15 123.624 0.300 . 1 . . . . 14 ALA N . 10337 1 78 . 1 1 15 15 ASN H H 1 8.718 0.030 . 1 . . . . 15 ASN H . 10337 1 79 . 1 1 15 15 ASN HA H 1 4.802 0.030 . 1 . . . . 15 ASN HA . 10337 1 80 . 1 1 15 15 ASN HB2 H 1 2.727 0.030 . 2 . . . . 15 ASN HB2 . 10337 1 81 . 1 1 15 15 ASN HB3 H 1 2.893 0.030 . 2 . . . . 15 ASN HB3 . 10337 1 82 . 1 1 15 15 ASN HD21 H 1 7.596 0.030 . 2 . . . . 15 ASN HD21 . 10337 1 83 . 1 1 15 15 ASN HD22 H 1 6.919 0.030 . 2 . . . . 15 ASN HD22 . 10337 1 84 . 1 1 15 15 ASN C C 13 174.715 0.300 . 1 . . . . 15 ASN C . 10337 1 85 . 1 1 15 15 ASN CA C 13 53.031 0.300 . 1 . . . . 15 ASN CA . 10337 1 86 . 1 1 15 15 ASN CB C 13 38.902 0.300 . 1 . . . . 15 ASN CB . 10337 1 87 . 1 1 15 15 ASN N N 15 115.753 0.300 . 1 . . . . 15 ASN N . 10337 1 88 . 1 1 15 15 ASN ND2 N 15 113.049 0.300 . 1 . . . . 15 ASN ND2 . 10337 1 89 . 1 1 16 16 HIS H H 1 7.929 0.030 . 1 . . . . 16 HIS H . 10337 1 90 . 1 1 16 16 HIS HA H 1 4.779 0.030 . 1 . . . . 16 HIS HA . 10337 1 91 . 1 1 16 16 HIS HB2 H 1 3.031 0.030 . 2 . . . . 16 HIS HB2 . 10337 1 92 . 1 1 16 16 HIS HB3 H 1 3.097 0.030 . 2 . . . . 16 HIS HB3 . 10337 1 93 . 1 1 16 16 HIS HD2 H 1 6.701 0.030 . 1 . . . . 16 HIS HD2 . 10337 1 94 . 1 1 16 16 HIS HE1 H 1 7.848 0.030 . 1 . . . . 16 HIS HE1 . 10337 1 95 . 1 1 16 16 HIS C C 13 175.252 0.300 . 1 . . . . 16 HIS C . 10337 1 96 . 1 1 16 16 HIS CA C 13 56.687 0.300 . 1 . . . . 16 HIS CA . 10337 1 97 . 1 1 16 16 HIS CB C 13 31.619 0.300 . 1 . . . . 16 HIS CB . 10337 1 98 . 1 1 16 16 HIS CD2 C 13 119.931 0.300 . 1 . . . . 16 HIS CD2 . 10337 1 99 . 1 1 16 16 HIS CE1 C 13 138.706 0.300 . 1 . . . . 16 HIS CE1 . 10337 1 100 . 1 1 16 16 HIS N N 15 118.751 0.300 . 1 . . . . 16 HIS N . 10337 1 101 . 1 1 17 17 GLU H H 1 9.038 0.030 . 1 . . . . 17 GLU H . 10337 1 102 . 1 1 17 17 GLU HA H 1 4.656 0.030 . 1 . . . . 17 GLU HA . 10337 1 103 . 1 1 17 17 GLU HB2 H 1 2.127 0.030 . 2 . . . . 17 GLU HB2 . 10337 1 104 . 1 1 17 17 GLU HB3 H 1 1.941 0.030 . 2 . . . . 17 GLU HB3 . 10337 1 105 . 1 1 17 17 GLU HG2 H 1 2.300 0.030 . 1 . . . . 17 GLU HG2 . 10337 1 106 . 1 1 17 17 GLU HG3 H 1 2.300 0.030 . 1 . . . . 17 GLU HG3 . 10337 1 107 . 1 1 17 17 GLU C C 13 175.921 0.300 . 1 . . . . 17 GLU C . 10337 1 108 . 1 1 17 17 GLU CA C 13 55.624 0.300 . 1 . . . . 17 GLU CA . 10337 1 109 . 1 1 17 17 GLU CB C 13 32.110 0.300 . 1 . . . . 17 GLU CB . 10337 1 110 . 1 1 17 17 GLU CG C 13 36.248 0.300 . 1 . . . . 17 GLU CG . 10337 1 111 . 1 1 17 17 GLU N N 15 121.086 0.300 . 1 . . . . 17 GLU N . 10337 1 112 . 1 1 18 18 THR H H 1 8.683 0.030 . 1 . . . . 18 THR H . 10337 1 113 . 1 1 18 18 THR HA H 1 4.904 0.030 . 1 . . . . 18 THR HA . 10337 1 114 . 1 1 18 18 THR HB H 1 3.942 0.030 . 1 . . . . 18 THR HB . 10337 1 115 . 1 1 18 18 THR HG21 H 1 0.983 0.030 . 1 . . . . 18 THR HG2 . 10337 1 116 . 1 1 18 18 THR HG22 H 1 0.983 0.030 . 1 . . . . 18 THR HG2 . 10337 1 117 . 1 1 18 18 THR HG23 H 1 0.983 0.030 . 1 . . . . 18 THR HG2 . 10337 1 118 . 1 1 18 18 THR C C 13 173.420 0.300 . 1 . . . . 18 THR C . 10337 1 119 . 1 1 18 18 THR CA C 13 62.479 0.300 . 1 . . . . 18 THR CA . 10337 1 120 . 1 1 18 18 THR CB C 13 69.492 0.300 . 1 . . . . 18 THR CB . 10337 1 121 . 1 1 18 18 THR CG2 C 13 22.504 0.300 . 1 . . . . 18 THR CG2 . 10337 1 122 . 1 1 18 18 THR N N 15 117.806 0.300 . 1 . . . . 18 THR N . 10337 1 123 . 1 1 19 19 LEU H H 1 9.509 0.030 . 1 . . . . 19 LEU H . 10337 1 124 . 1 1 19 19 LEU HA H 1 5.020 0.030 . 1 . . . . 19 LEU HA . 10337 1 125 . 1 1 19 19 LEU HB2 H 1 1.553 0.030 . 2 . . . . 19 LEU HB2 . 10337 1 126 . 1 1 19 19 LEU HB3 H 1 1.390 0.030 . 2 . . . . 19 LEU HB3 . 10337 1 127 . 1 1 19 19 LEU HD11 H 1 0.717 0.030 . 1 . . . . 19 LEU HD1 . 10337 1 128 . 1 1 19 19 LEU HD12 H 1 0.717 0.030 . 1 . . . . 19 LEU HD1 . 10337 1 129 . 1 1 19 19 LEU HD13 H 1 0.717 0.030 . 1 . . . . 19 LEU HD1 . 10337 1 130 . 1 1 19 19 LEU HD21 H 1 0.768 0.030 . 1 . . . . 19 LEU HD2 . 10337 1 131 . 1 1 19 19 LEU HD22 H 1 0.768 0.030 . 1 . . . . 19 LEU HD2 . 10337 1 132 . 1 1 19 19 LEU HD23 H 1 0.768 0.030 . 1 . . . . 19 LEU HD2 . 10337 1 133 . 1 1 19 19 LEU HG H 1 1.629 0.030 . 1 . . . . 19 LEU HG . 10337 1 134 . 1 1 19 19 LEU C C 13 175.239 0.300 . 1 . . . . 19 LEU C . 10337 1 135 . 1 1 19 19 LEU CA C 13 53.171 0.300 . 1 . . . . 19 LEU CA . 10337 1 136 . 1 1 19 19 LEU CB C 13 43.618 0.300 . 1 . . . . 19 LEU CB . 10337 1 137 . 1 1 19 19 LEU CD1 C 13 25.614 0.300 . 2 . . . . 19 LEU CD1 . 10337 1 138 . 1 1 19 19 LEU CD2 C 13 23.176 0.300 . 2 . . . . 19 LEU CD2 . 10337 1 139 . 1 1 19 19 LEU CG C 13 27.348 0.300 . 1 . . . . 19 LEU CG . 10337 1 140 . 1 1 19 19 LEU N N 15 127.508 0.300 . 1 . . . . 19 LEU N . 10337 1 141 . 1 1 20 20 GLN H H 1 9.152 0.030 . 1 . . . . 20 GLN H . 10337 1 142 . 1 1 20 20 GLN HA H 1 4.789 0.030 . 1 . . . . 20 GLN HA . 10337 1 143 . 1 1 20 20 GLN HB2 H 1 1.570 0.030 . 2 . . . . 20 GLN HB2 . 10337 1 144 . 1 1 20 20 GLN HB3 H 1 1.718 0.030 . 2 . . . . 20 GLN HB3 . 10337 1 145 . 1 1 20 20 GLN HE21 H 1 6.757 0.030 . 2 . . . . 20 GLN HE21 . 10337 1 146 . 1 1 20 20 GLN HE22 H 1 6.660 0.030 . 2 . . . . 20 GLN HE22 . 10337 1 147 . 1 1 20 20 GLN HG2 H 1 1.797 0.030 . 2 . . . . 20 GLN HG2 . 10337 1 148 . 1 1 20 20 GLN HG3 H 1 1.554 0.030 . 2 . . . . 20 GLN HG3 . 10337 1 149 . 1 1 20 20 GLN C C 13 175.180 0.300 . 1 . . . . 20 GLN C . 10337 1 150 . 1 1 20 20 GLN CA C 13 54.064 0.300 . 1 . . . . 20 GLN CA . 10337 1 151 . 1 1 20 20 GLN CB C 13 31.797 0.300 . 1 . . . . 20 GLN CB . 10337 1 152 . 1 1 20 20 GLN CG C 13 33.547 0.300 . 1 . . . . 20 GLN CG . 10337 1 153 . 1 1 20 20 GLN N N 15 121.391 0.300 . 1 . . . . 20 GLN N . 10337 1 154 . 1 1 20 20 GLN NE2 N 15 111.340 0.300 . 1 . . . . 20 GLN NE2 . 10337 1 155 . 1 1 21 21 VAL H H 1 8.294 0.030 . 1 . . . . 21 VAL H . 10337 1 156 . 1 1 21 21 VAL HA H 1 3.907 0.030 . 1 . . . . 21 VAL HA . 10337 1 157 . 1 1 21 21 VAL HB H 1 1.971 0.030 . 1 . . . . 21 VAL HB . 10337 1 158 . 1 1 21 21 VAL HG11 H 1 0.720 0.030 . 1 . . . . 21 VAL HG1 . 10337 1 159 . 1 1 21 21 VAL HG12 H 1 0.720 0.030 . 1 . . . . 21 VAL HG1 . 10337 1 160 . 1 1 21 21 VAL HG13 H 1 0.720 0.030 . 1 . . . . 21 VAL HG1 . 10337 1 161 . 1 1 21 21 VAL HG21 H 1 0.888 0.030 . 1 . . . . 21 VAL HG2 . 10337 1 162 . 1 1 21 21 VAL HG22 H 1 0.888 0.030 . 1 . . . . 21 VAL HG2 . 10337 1 163 . 1 1 21 21 VAL HG23 H 1 0.888 0.030 . 1 . . . . 21 VAL HG2 . 10337 1 164 . 1 1 21 21 VAL C C 13 177.012 0.300 . 1 . . . . 21 VAL C . 10337 1 165 . 1 1 21 21 VAL CA C 13 63.914 0.300 . 1 . . . . 21 VAL CA . 10337 1 166 . 1 1 21 21 VAL CB C 13 32.221 0.300 . 1 . . . . 21 VAL CB . 10337 1 167 . 1 1 21 21 VAL CG1 C 13 24.647 0.300 . 2 . . . . 21 VAL CG1 . 10337 1 168 . 1 1 21 21 VAL CG2 C 13 22.727 0.300 . 2 . . . . 21 VAL CG2 . 10337 1 169 . 1 1 21 21 VAL N N 15 123.995 0.300 . 1 . . . . 21 VAL N . 10337 1 170 . 1 1 22 22 ILE H H 1 8.637 0.030 . 1 . . . . 22 ILE H . 10337 1 171 . 1 1 22 22 ILE HA H 1 4.209 0.030 . 1 . . . . 22 ILE HA . 10337 1 172 . 1 1 22 22 ILE HB H 1 1.397 0.030 . 1 . . . . 22 ILE HB . 10337 1 173 . 1 1 22 22 ILE HD11 H 1 0.474 0.030 . 1 . . . . 22 ILE HD1 . 10337 1 174 . 1 1 22 22 ILE HD12 H 1 0.474 0.030 . 1 . . . . 22 ILE HD1 . 10337 1 175 . 1 1 22 22 ILE HD13 H 1 0.474 0.030 . 1 . . . . 22 ILE HD1 . 10337 1 176 . 1 1 22 22 ILE HG12 H 1 0.634 0.030 . 2 . . . . 22 ILE HG12 . 10337 1 177 . 1 1 22 22 ILE HG13 H 1 0.842 0.030 . 2 . . . . 22 ILE HG13 . 10337 1 178 . 1 1 22 22 ILE HG21 H 1 0.306 0.030 . 1 . . . . 22 ILE HG2 . 10337 1 179 . 1 1 22 22 ILE HG22 H 1 0.306 0.030 . 1 . . . . 22 ILE HG2 . 10337 1 180 . 1 1 22 22 ILE HG23 H 1 0.306 0.030 . 1 . . . . 22 ILE HG2 . 10337 1 181 . 1 1 22 22 ILE C C 13 174.480 0.300 . 1 . . . . 22 ILE C . 10337 1 182 . 1 1 22 22 ILE CA C 13 61.110 0.300 . 1 . . . . 22 ILE CA . 10337 1 183 . 1 1 22 22 ILE CB C 13 39.113 0.300 . 1 . . . . 22 ILE CB . 10337 1 184 . 1 1 22 22 ILE CD1 C 13 12.339 0.300 . 1 . . . . 22 ILE CD1 . 10337 1 185 . 1 1 22 22 ILE CG1 C 13 26.245 0.300 . 1 . . . . 22 ILE CG1 . 10337 1 186 . 1 1 22 22 ILE CG2 C 13 17.800 0.300 . 1 . . . . 22 ILE CG2 . 10337 1 187 . 1 1 22 22 ILE N N 15 124.939 0.300 . 1 . . . . 22 ILE N . 10337 1 188 . 1 1 23 23 TYR H H 1 7.391 0.030 . 1 . . . . 23 TYR H . 10337 1 189 . 1 1 23 23 TYR HA H 1 5.012 0.030 . 1 . . . . 23 TYR HA . 10337 1 190 . 1 1 23 23 TYR HB2 H 1 2.314 0.030 . 2 . . . . 23 TYR HB2 . 10337 1 191 . 1 1 23 23 TYR HB3 H 1 2.895 0.030 . 2 . . . . 23 TYR HB3 . 10337 1 192 . 1 1 23 23 TYR HD1 H 1 6.853 0.030 . 1 . . . . 23 TYR HD1 . 10337 1 193 . 1 1 23 23 TYR HD2 H 1 6.853 0.030 . 1 . . . . 23 TYR HD2 . 10337 1 194 . 1 1 23 23 TYR HE1 H 1 6.687 0.030 . 1 . . . . 23 TYR HE1 . 10337 1 195 . 1 1 23 23 TYR HE2 H 1 6.687 0.030 . 1 . . . . 23 TYR HE2 . 10337 1 196 . 1 1 23 23 TYR C C 13 171.169 0.300 . 1 . . . . 23 TYR C . 10337 1 197 . 1 1 23 23 TYR CA C 13 54.594 0.300 . 1 . . . . 23 TYR CA . 10337 1 198 . 1 1 23 23 TYR CB C 13 40.860 0.300 . 1 . . . . 23 TYR CB . 10337 1 199 . 1 1 23 23 TYR CD1 C 13 133.194 0.300 . 1 . . . . 23 TYR CD1 . 10337 1 200 . 1 1 23 23 TYR CD2 C 13 133.194 0.300 . 1 . . . . 23 TYR CD2 . 10337 1 201 . 1 1 23 23 TYR CE1 C 13 118.091 0.300 . 1 . . . . 23 TYR CE1 . 10337 1 202 . 1 1 23 23 TYR CE2 C 13 118.091 0.300 . 1 . . . . 23 TYR CE2 . 10337 1 203 . 1 1 23 23 TYR N N 15 120.755 0.300 . 1 . . . . 23 TYR N . 10337 1 204 . 1 1 24 24 PRO HA H 1 4.507 0.030 . 1 . . . . 24 PRO HA . 10337 1 205 . 1 1 24 24 PRO HB2 H 1 2.108 0.030 . 1 . . . . 24 PRO HB2 . 10337 1 206 . 1 1 24 24 PRO HB3 H 1 2.108 0.030 . 1 . . . . 24 PRO HB3 . 10337 1 207 . 1 1 24 24 PRO HD2 H 1 3.624 0.030 . 1 . . . . 24 PRO HD2 . 10337 1 208 . 1 1 24 24 PRO HD3 H 1 3.624 0.030 . 1 . . . . 24 PRO HD3 . 10337 1 209 . 1 1 24 24 PRO HG2 H 1 2.015 0.030 . 2 . . . . 24 PRO HG2 . 10337 1 210 . 1 1 24 24 PRO HG3 H 1 2.111 0.030 . 2 . . . . 24 PRO HG3 . 10337 1 211 . 1 1 24 24 PRO C C 13 176.204 0.300 . 1 . . . . 24 PRO C . 10337 1 212 . 1 1 24 24 PRO CA C 13 61.755 0.300 . 1 . . . . 24 PRO CA . 10337 1 213 . 1 1 24 24 PRO CB C 13 32.380 0.300 . 1 . . . . 24 PRO CB . 10337 1 214 . 1 1 24 24 PRO CD C 13 49.942 0.300 . 1 . . . . 24 PRO CD . 10337 1 215 . 1 1 24 24 PRO CG C 13 26.926 0.300 . 1 . . . . 24 PRO CG . 10337 1 216 . 1 1 25 25 TYR H H 1 8.463 0.030 . 1 . . . . 25 TYR H . 10337 1 217 . 1 1 25 25 TYR HA H 1 4.738 0.030 . 1 . . . . 25 TYR HA . 10337 1 218 . 1 1 25 25 TYR HB2 H 1 2.518 0.030 . 2 . . . . 25 TYR HB2 . 10337 1 219 . 1 1 25 25 TYR HB3 H 1 2.887 0.030 . 2 . . . . 25 TYR HB3 . 10337 1 220 . 1 1 25 25 TYR HD1 H 1 7.054 0.030 . 1 . . . . 25 TYR HD1 . 10337 1 221 . 1 1 25 25 TYR HD2 H 1 7.054 0.030 . 1 . . . . 25 TYR HD2 . 10337 1 222 . 1 1 25 25 TYR HE1 H 1 6.885 0.030 . 1 . . . . 25 TYR HE1 . 10337 1 223 . 1 1 25 25 TYR HE2 H 1 6.885 0.030 . 1 . . . . 25 TYR HE2 . 10337 1 224 . 1 1 25 25 TYR C C 13 173.978 0.300 . 1 . . . . 25 TYR C . 10337 1 225 . 1 1 25 25 TYR CA C 13 58.182 0.300 . 1 . . . . 25 TYR CA . 10337 1 226 . 1 1 25 25 TYR CB C 13 42.656 0.300 . 1 . . . . 25 TYR CB . 10337 1 227 . 1 1 25 25 TYR CD1 C 13 132.719 0.300 . 1 . . . . 25 TYR CD1 . 10337 1 228 . 1 1 25 25 TYR CD2 C 13 132.719 0.300 . 1 . . . . 25 TYR CD2 . 10337 1 229 . 1 1 25 25 TYR CE1 C 13 117.737 0.300 . 1 . . . . 25 TYR CE1 . 10337 1 230 . 1 1 25 25 TYR CE2 C 13 117.737 0.300 . 1 . . . . 25 TYR CE2 . 10337 1 231 . 1 1 25 25 TYR N N 15 119.610 0.300 . 1 . . . . 25 TYR N . 10337 1 232 . 1 1 26 26 THR H H 1 7.751 0.030 . 1 . . . . 26 THR H . 10337 1 233 . 1 1 26 26 THR HA H 1 4.495 0.030 . 1 . . . . 26 THR HA . 10337 1 234 . 1 1 26 26 THR HB H 1 3.675 0.030 . 1 . . . . 26 THR HB . 10337 1 235 . 1 1 26 26 THR HG21 H 1 1.094 0.030 . 1 . . . . 26 THR HG2 . 10337 1 236 . 1 1 26 26 THR HG22 H 1 1.094 0.030 . 1 . . . . 26 THR HG2 . 10337 1 237 . 1 1 26 26 THR HG23 H 1 1.094 0.030 . 1 . . . . 26 THR HG2 . 10337 1 238 . 1 1 26 26 THR C C 13 170.871 0.300 . 1 . . . . 26 THR C . 10337 1 239 . 1 1 26 26 THR CA C 13 58.313 0.300 . 1 . . . . 26 THR CA . 10337 1 240 . 1 1 26 26 THR CB C 13 70.142 0.300 . 1 . . . . 26 THR CB . 10337 1 241 . 1 1 26 26 THR CG2 C 13 21.112 0.300 . 1 . . . . 26 THR CG2 . 10337 1 242 . 1 1 26 26 THR N N 15 126.278 0.300 . 1 . . . . 26 THR N . 10337 1 243 . 1 1 27 27 PRO HA H 1 4.339 0.030 . 1 . . . . 27 PRO HA . 10337 1 244 . 1 1 27 27 PRO HB2 H 1 2.275 0.030 . 2 . . . . 27 PRO HB2 . 10337 1 245 . 1 1 27 27 PRO HB3 H 1 1.952 0.030 . 2 . . . . 27 PRO HB3 . 10337 1 246 . 1 1 27 27 PRO HD2 H 1 3.687 0.030 . 2 . . . . 27 PRO HD2 . 10337 1 247 . 1 1 27 27 PRO HD3 H 1 3.744 0.030 . 2 . . . . 27 PRO HD3 . 10337 1 248 . 1 1 27 27 PRO HG2 H 1 2.073 0.030 . 2 . . . . 27 PRO HG2 . 10337 1 249 . 1 1 27 27 PRO HG3 H 1 1.787 0.030 . 2 . . . . 27 PRO HG3 . 10337 1 250 . 1 1 27 27 PRO C C 13 177.237 0.300 . 1 . . . . 27 PRO C . 10337 1 251 . 1 1 27 27 PRO CA C 13 62.996 0.300 . 1 . . . . 27 PRO CA . 10337 1 252 . 1 1 27 27 PRO CB C 13 33.804 0.300 . 1 . . . . 27 PRO CB . 10337 1 253 . 1 1 27 27 PRO CD C 13 51.036 0.300 . 1 . . . . 27 PRO CD . 10337 1 254 . 1 1 27 27 PRO CG C 13 27.625 0.300 . 1 . . . . 27 PRO CG . 10337 1 255 . 1 1 28 28 GLN H H 1 9.081 0.030 . 1 . . . . 28 GLN H . 10337 1 256 . 1 1 28 28 GLN HA H 1 4.230 0.030 . 1 . . . . 28 GLN HA . 10337 1 257 . 1 1 28 28 GLN HB2 H 1 2.266 0.030 . 2 . . . . 28 GLN HB2 . 10337 1 258 . 1 1 28 28 GLN HB3 H 1 2.060 0.030 . 2 . . . . 28 GLN HB3 . 10337 1 259 . 1 1 28 28 GLN HE21 H 1 7.617 0.030 . 2 . . . . 28 GLN HE21 . 10337 1 260 . 1 1 28 28 GLN HE22 H 1 6.870 0.030 . 2 . . . . 28 GLN HE22 . 10337 1 261 . 1 1 28 28 GLN HG2 H 1 2.373 0.030 . 2 . . . . 28 GLN HG2 . 10337 1 262 . 1 1 28 28 GLN HG3 H 1 2.571 0.030 . 2 . . . . 28 GLN HG3 . 10337 1 263 . 1 1 28 28 GLN C C 13 175.207 0.300 . 1 . . . . 28 GLN C . 10337 1 264 . 1 1 28 28 GLN CA C 13 55.207 0.300 . 1 . . . . 28 GLN CA . 10337 1 265 . 1 1 28 28 GLN CB C 13 30.303 0.300 . 1 . . . . 28 GLN CB . 10337 1 266 . 1 1 28 28 GLN CG C 13 34.375 0.300 . 1 . . . . 28 GLN CG . 10337 1 267 . 1 1 28 28 GLN N N 15 120.530 0.300 . 1 . . . . 28 GLN N . 10337 1 268 . 1 1 28 28 GLN NE2 N 15 113.801 0.300 . 1 . . . . 28 GLN NE2 . 10337 1 269 . 1 1 29 29 ASN H H 1 7.392 0.030 . 1 . . . . 29 ASN H . 10337 1 270 . 1 1 29 29 ASN HA H 1 4.740 0.030 . 1 . . . . 29 ASN HA . 10337 1 271 . 1 1 29 29 ASN HB2 H 1 2.696 0.030 . 2 . . . . 29 ASN HB2 . 10337 1 272 . 1 1 29 29 ASN HB3 H 1 2.841 0.030 . 2 . . . . 29 ASN HB3 . 10337 1 273 . 1 1 29 29 ASN HD21 H 1 7.463 0.030 . 2 . . . . 29 ASN HD21 . 10337 1 274 . 1 1 29 29 ASN HD22 H 1 6.553 0.030 . 2 . . . . 29 ASN HD22 . 10337 1 275 . 1 1 29 29 ASN C C 13 175.563 0.300 . 1 . . . . 29 ASN C . 10337 1 276 . 1 1 29 29 ASN CA C 13 52.075 0.300 . 1 . . . . 29 ASN CA . 10337 1 277 . 1 1 29 29 ASN CB C 13 41.602 0.300 . 1 . . . . 29 ASN CB . 10337 1 278 . 1 1 29 29 ASN N N 15 113.104 0.300 . 1 . . . . 29 ASN N . 10337 1 279 . 1 1 29 29 ASN ND2 N 15 115.064 0.300 . 1 . . . . 29 ASN ND2 . 10337 1 280 . 1 1 30 30 ASP H H 1 8.599 0.030 . 1 . . . . 30 ASP H . 10337 1 281 . 1 1 30 30 ASP HA H 1 4.506 0.030 . 1 . . . . 30 ASP HA . 10337 1 282 . 1 1 30 30 ASP HB2 H 1 2.788 0.030 . 2 . . . . 30 ASP HB2 . 10337 1 283 . 1 1 30 30 ASP HB3 H 1 2.984 0.030 . 2 . . . . 30 ASP HB3 . 10337 1 284 . 1 1 30 30 ASP C C 13 175.863 0.300 . 1 . . . . 30 ASP C . 10337 1 285 . 1 1 30 30 ASP CA C 13 56.472 0.300 . 1 . . . . 30 ASP CA . 10337 1 286 . 1 1 30 30 ASP CB C 13 40.135 0.300 . 1 . . . . 30 ASP CB . 10337 1 287 . 1 1 30 30 ASP N N 15 118.163 0.300 . 1 . . . . 30 ASP N . 10337 1 288 . 1 1 31 31 ASP H H 1 8.391 0.030 . 1 . . . . 31 ASP H . 10337 1 289 . 1 1 31 31 ASP HA H 1 4.753 0.030 . 1 . . . . 31 ASP HA . 10337 1 290 . 1 1 31 31 ASP HB2 H 1 2.878 0.030 . 2 . . . . 31 ASP HB2 . 10337 1 291 . 1 1 31 31 ASP HB3 H 1 2.695 0.030 . 2 . . . . 31 ASP HB3 . 10337 1 292 . 1 1 31 31 ASP C C 13 176.433 0.300 . 1 . . . . 31 ASP C . 10337 1 293 . 1 1 31 31 ASP CA C 13 53.794 0.300 . 1 . . . . 31 ASP CA . 10337 1 294 . 1 1 31 31 ASP CB C 13 40.550 0.300 . 1 . . . . 31 ASP CB . 10337 1 295 . 1 1 31 31 ASP N N 15 116.978 0.300 . 1 . . . . 31 ASP N . 10337 1 296 . 1 1 32 32 GLU H H 1 7.407 0.030 . 1 . . . . 32 GLU H . 10337 1 297 . 1 1 32 32 GLU HA H 1 5.195 0.030 . 1 . . . . 32 GLU HA . 10337 1 298 . 1 1 32 32 GLU HB2 H 1 2.409 0.030 . 2 . . . . 32 GLU HB2 . 10337 1 299 . 1 1 32 32 GLU HB3 H 1 2.210 0.030 . 2 . . . . 32 GLU HB3 . 10337 1 300 . 1 1 32 32 GLU HG2 H 1 2.449 0.030 . 2 . . . . 32 GLU HG2 . 10337 1 301 . 1 1 32 32 GLU HG3 H 1 2.146 0.030 . 2 . . . . 32 GLU HG3 . 10337 1 302 . 1 1 32 32 GLU C C 13 174.959 0.300 . 1 . . . . 32 GLU C . 10337 1 303 . 1 1 32 32 GLU CA C 13 54.946 0.300 . 1 . . . . 32 GLU CA . 10337 1 304 . 1 1 32 32 GLU CB C 13 32.833 0.300 . 1 . . . . 32 GLU CB . 10337 1 305 . 1 1 32 32 GLU CG C 13 36.259 0.300 . 1 . . . . 32 GLU CG . 10337 1 306 . 1 1 32 32 GLU N N 15 119.849 0.300 . 1 . . . . 32 GLU N . 10337 1 307 . 1 1 33 33 LEU H H 1 8.702 0.030 . 1 . . . . 33 LEU H . 10337 1 308 . 1 1 33 33 LEU HA H 1 4.320 0.030 . 1 . . . . 33 LEU HA . 10337 1 309 . 1 1 33 33 LEU HB2 H 1 1.463 0.030 . 2 . . . . 33 LEU HB2 . 10337 1 310 . 1 1 33 33 LEU HB3 H 1 0.705 0.030 . 2 . . . . 33 LEU HB3 . 10337 1 311 . 1 1 33 33 LEU HD11 H 1 0.616 0.030 . 1 . . . . 33 LEU HD1 . 10337 1 312 . 1 1 33 33 LEU HD12 H 1 0.616 0.030 . 1 . . . . 33 LEU HD1 . 10337 1 313 . 1 1 33 33 LEU HD13 H 1 0.616 0.030 . 1 . . . . 33 LEU HD1 . 10337 1 314 . 1 1 33 33 LEU HD21 H 1 0.537 0.030 . 1 . . . . 33 LEU HD2 . 10337 1 315 . 1 1 33 33 LEU HD22 H 1 0.537 0.030 . 1 . . . . 33 LEU HD2 . 10337 1 316 . 1 1 33 33 LEU HD23 H 1 0.537 0.030 . 1 . . . . 33 LEU HD2 . 10337 1 317 . 1 1 33 33 LEU C C 13 174.977 0.300 . 1 . . . . 33 LEU C . 10337 1 318 . 1 1 33 33 LEU CA C 13 53.231 0.300 . 1 . . . . 33 LEU CA . 10337 1 319 . 1 1 33 33 LEU CB C 13 45.628 0.300 . 1 . . . . 33 LEU CB . 10337 1 320 . 1 1 33 33 LEU CD1 C 13 24.491 0.300 . 2 . . . . 33 LEU CD1 . 10337 1 321 . 1 1 33 33 LEU CD2 C 13 25.456 0.300 . 2 . . . . 33 LEU CD2 . 10337 1 322 . 1 1 33 33 LEU CG C 13 27.255 0.300 . 1 . . . . 33 LEU CG . 10337 1 323 . 1 1 33 33 LEU N N 15 124.347 0.300 . 1 . . . . 33 LEU N . 10337 1 324 . 1 1 34 34 GLU H H 1 7.976 0.030 . 1 . . . . 34 GLU H . 10337 1 325 . 1 1 34 34 GLU HA H 1 4.366 0.030 . 1 . . . . 34 GLU HA . 10337 1 326 . 1 1 34 34 GLU HB2 H 1 1.805 0.030 . 2 . . . . 34 GLU HB2 . 10337 1 327 . 1 1 34 34 GLU HB3 H 1 1.968 0.030 . 2 . . . . 34 GLU HB3 . 10337 1 328 . 1 1 34 34 GLU HG2 H 1 2.526 0.030 . 2 . . . . 34 GLU HG2 . 10337 1 329 . 1 1 34 34 GLU HG3 H 1 1.954 0.030 . 2 . . . . 34 GLU HG3 . 10337 1 330 . 1 1 34 34 GLU C C 13 176.243 0.300 . 1 . . . . 34 GLU C . 10337 1 331 . 1 1 34 34 GLU CA C 13 56.336 0.300 . 1 . . . . 34 GLU CA . 10337 1 332 . 1 1 34 34 GLU CB C 13 29.756 0.300 . 1 . . . . 34 GLU CB . 10337 1 333 . 1 1 34 34 GLU CG C 13 35.880 0.300 . 1 . . . . 34 GLU CG . 10337 1 334 . 1 1 34 34 GLU N N 15 121.527 0.300 . 1 . . . . 34 GLU N . 10337 1 335 . 1 1 35 35 LEU H H 1 8.774 0.030 . 1 . . . . 35 LEU H . 10337 1 336 . 1 1 35 35 LEU HA H 1 5.003 0.030 . 1 . . . . 35 LEU HA . 10337 1 337 . 1 1 35 35 LEU HB2 H 1 2.194 0.030 . 2 . . . . 35 LEU HB2 . 10337 1 338 . 1 1 35 35 LEU HB3 H 1 1.602 0.030 . 2 . . . . 35 LEU HB3 . 10337 1 339 . 1 1 35 35 LEU HD11 H 1 0.725 0.030 . 1 . . . . 35 LEU HD1 . 10337 1 340 . 1 1 35 35 LEU HD12 H 1 0.725 0.030 . 1 . . . . 35 LEU HD1 . 10337 1 341 . 1 1 35 35 LEU HD13 H 1 0.725 0.030 . 1 . . . . 35 LEU HD1 . 10337 1 342 . 1 1 35 35 LEU HD21 H 1 0.875 0.030 . 1 . . . . 35 LEU HD2 . 10337 1 343 . 1 1 35 35 LEU HD22 H 1 0.875 0.030 . 1 . . . . 35 LEU HD2 . 10337 1 344 . 1 1 35 35 LEU HD23 H 1 0.875 0.030 . 1 . . . . 35 LEU HD2 . 10337 1 345 . 1 1 35 35 LEU HG H 1 1.985 0.030 . 1 . . . . 35 LEU HG . 10337 1 346 . 1 1 35 35 LEU C C 13 176.416 0.300 . 1 . . . . 35 LEU C . 10337 1 347 . 1 1 35 35 LEU CA C 13 52.705 0.300 . 1 . . . . 35 LEU CA . 10337 1 348 . 1 1 35 35 LEU CB C 13 41.739 0.300 . 1 . . . . 35 LEU CB . 10337 1 349 . 1 1 35 35 LEU CD1 C 13 22.599 0.300 . 2 . . . . 35 LEU CD1 . 10337 1 350 . 1 1 35 35 LEU CD2 C 13 26.733 0.300 . 2 . . . . 35 LEU CD2 . 10337 1 351 . 1 1 35 35 LEU CG C 13 26.020 0.300 . 1 . . . . 35 LEU CG . 10337 1 352 . 1 1 35 35 LEU N N 15 126.652 0.300 . 1 . . . . 35 LEU N . 10337 1 353 . 1 1 36 36 VAL H H 1 9.110 0.030 . 1 . . . . 36 VAL H . 10337 1 354 . 1 1 36 36 VAL HA H 1 4.435 0.030 . 1 . . . . 36 VAL HA . 10337 1 355 . 1 1 36 36 VAL HB H 1 1.974 0.030 . 1 . . . . 36 VAL HB . 10337 1 356 . 1 1 36 36 VAL HG11 H 1 0.901 0.030 . 1 . . . . 36 VAL HG1 . 10337 1 357 . 1 1 36 36 VAL HG12 H 1 0.901 0.030 . 1 . . . . 36 VAL HG1 . 10337 1 358 . 1 1 36 36 VAL HG13 H 1 0.901 0.030 . 1 . . . . 36 VAL HG1 . 10337 1 359 . 1 1 36 36 VAL HG21 H 1 0.849 0.030 . 1 . . . . 36 VAL HG2 . 10337 1 360 . 1 1 36 36 VAL HG22 H 1 0.849 0.030 . 1 . . . . 36 VAL HG2 . 10337 1 361 . 1 1 36 36 VAL HG23 H 1 0.849 0.030 . 1 . . . . 36 VAL HG2 . 10337 1 362 . 1 1 36 36 VAL C C 13 176.474 0.300 . 1 . . . . 36 VAL C . 10337 1 363 . 1 1 36 36 VAL CA C 13 58.680 0.300 . 1 . . . . 36 VAL CA . 10337 1 364 . 1 1 36 36 VAL CB C 13 34.254 0.300 . 1 . . . . 36 VAL CB . 10337 1 365 . 1 1 36 36 VAL CG1 C 13 20.171 0.300 . 2 . . . . 36 VAL CG1 . 10337 1 366 . 1 1 36 36 VAL CG2 C 13 20.810 0.300 . 2 . . . . 36 VAL CG2 . 10337 1 367 . 1 1 36 36 VAL N N 15 128.524 0.300 . 1 . . . . 36 VAL N . 10337 1 368 . 1 1 37 37 PRO HA H 1 3.560 0.030 . 1 . . . . 37 PRO HA . 10337 1 369 . 1 1 37 37 PRO HB2 H 1 1.983 0.030 . 2 . . . . 37 PRO HB2 . 10337 1 370 . 1 1 37 37 PRO HB3 H 1 1.782 0.030 . 2 . . . . 37 PRO HB3 . 10337 1 371 . 1 1 37 37 PRO HD2 H 1 3.672 0.030 . 2 . . . . 37 PRO HD2 . 10337 1 372 . 1 1 37 37 PRO HD3 H 1 3.536 0.030 . 2 . . . . 37 PRO HD3 . 10337 1 373 . 1 1 37 37 PRO HG2 H 1 2.193 0.030 . 2 . . . . 37 PRO HG2 . 10337 1 374 . 1 1 37 37 PRO HG3 H 1 1.299 0.030 . 2 . . . . 37 PRO HG3 . 10337 1 375 . 1 1 37 37 PRO C C 13 176.164 0.300 . 1 . . . . 37 PRO C . 10337 1 376 . 1 1 37 37 PRO CA C 13 64.214 0.300 . 1 . . . . 37 PRO CA . 10337 1 377 . 1 1 37 37 PRO CB C 13 31.485 0.300 . 1 . . . . 37 PRO CB . 10337 1 378 . 1 1 37 37 PRO CD C 13 51.020 0.300 . 1 . . . . 37 PRO CD . 10337 1 379 . 1 1 37 37 PRO CG C 13 28.025 0.300 . 1 . . . . 37 PRO CG . 10337 1 380 . 1 1 38 38 GLY H H 1 8.345 0.030 . 1 . . . . 38 GLY H . 10337 1 381 . 1 1 38 38 GLY HA2 H 1 3.343 0.030 . 2 . . . . 38 GLY HA2 . 10337 1 382 . 1 1 38 38 GLY HA3 H 1 4.270 0.030 . 2 . . . . 38 GLY HA3 . 10337 1 383 . 1 1 38 38 GLY C C 13 174.245 0.300 . 1 . . . . 38 GLY C . 10337 1 384 . 1 1 38 38 GLY CA C 13 44.635 0.300 . 1 . . . . 38 GLY CA . 10337 1 385 . 1 1 38 38 GLY N N 15 113.124 0.300 . 1 . . . . 38 GLY N . 10337 1 386 . 1 1 39 39 ASP H H 1 7.932 0.030 . 1 . . . . 39 ASP H . 10337 1 387 . 1 1 39 39 ASP HA H 1 4.642 0.030 . 1 . . . . 39 ASP HA . 10337 1 388 . 1 1 39 39 ASP HB2 H 1 2.597 0.030 . 2 . . . . 39 ASP HB2 . 10337 1 389 . 1 1 39 39 ASP HB3 H 1 2.843 0.030 . 2 . . . . 39 ASP HB3 . 10337 1 390 . 1 1 39 39 ASP C C 13 174.779 0.300 . 1 . . . . 39 ASP C . 10337 1 391 . 1 1 39 39 ASP CA C 13 53.547 0.300 . 1 . . . . 39 ASP CA . 10337 1 392 . 1 1 39 39 ASP CB C 13 41.631 0.300 . 1 . . . . 39 ASP CB . 10337 1 393 . 1 1 39 39 ASP N N 15 118.995 0.300 . 1 . . . . 39 ASP N . 10337 1 394 . 1 1 40 40 PHE H H 1 8.323 0.030 . 1 . . . . 40 PHE H . 10337 1 395 . 1 1 40 40 PHE HA H 1 5.324 0.030 . 1 . . . . 40 PHE HA . 10337 1 396 . 1 1 40 40 PHE HB2 H 1 2.547 0.030 . 1 . . . . 40 PHE HB2 . 10337 1 397 . 1 1 40 40 PHE HB3 H 1 2.547 0.030 . 1 . . . . 40 PHE HB3 . 10337 1 398 . 1 1 40 40 PHE HD1 H 1 7.057 0.030 . 1 . . . . 40 PHE HD1 . 10337 1 399 . 1 1 40 40 PHE HD2 H 1 7.057 0.030 . 1 . . . . 40 PHE HD2 . 10337 1 400 . 1 1 40 40 PHE HE1 H 1 7.191 0.030 . 1 . . . . 40 PHE HE1 . 10337 1 401 . 1 1 40 40 PHE HE2 H 1 7.191 0.030 . 1 . . . . 40 PHE HE2 . 10337 1 402 . 1 1 40 40 PHE C C 13 173.171 0.300 . 1 . . . . 40 PHE C . 10337 1 403 . 1 1 40 40 PHE CA C 13 56.430 0.300 . 1 . . . . 40 PHE CA . 10337 1 404 . 1 1 40 40 PHE CB C 13 41.892 0.300 . 1 . . . . 40 PHE CB . 10337 1 405 . 1 1 40 40 PHE CD1 C 13 131.402 0.300 . 1 . . . . 40 PHE CD1 . 10337 1 406 . 1 1 40 40 PHE CD2 C 13 131.402 0.300 . 1 . . . . 40 PHE CD2 . 10337 1 407 . 1 1 40 40 PHE CE1 C 13 131.269 0.300 . 1 . . . . 40 PHE CE1 . 10337 1 408 . 1 1 40 40 PHE CE2 C 13 131.269 0.300 . 1 . . . . 40 PHE CE2 . 10337 1 409 . 1 1 40 40 PHE N N 15 119.472 0.300 . 1 . . . . 40 PHE N . 10337 1 410 . 1 1 41 41 ILE H H 1 8.981 0.030 . 1 . . . . 41 ILE H . 10337 1 411 . 1 1 41 41 ILE HA H 1 4.714 0.030 . 1 . . . . 41 ILE HA . 10337 1 412 . 1 1 41 41 ILE HB H 1 1.671 0.030 . 1 . . . . 41 ILE HB . 10337 1 413 . 1 1 41 41 ILE HD11 H 1 0.512 0.030 . 1 . . . . 41 ILE HD1 . 10337 1 414 . 1 1 41 41 ILE HD12 H 1 0.512 0.030 . 1 . . . . 41 ILE HD1 . 10337 1 415 . 1 1 41 41 ILE HD13 H 1 0.512 0.030 . 1 . . . . 41 ILE HD1 . 10337 1 416 . 1 1 41 41 ILE HG12 H 1 0.927 0.030 . 2 . . . . 41 ILE HG12 . 10337 1 417 . 1 1 41 41 ILE HG13 H 1 1.246 0.030 . 2 . . . . 41 ILE HG13 . 10337 1 418 . 1 1 41 41 ILE HG21 H 1 0.538 0.030 . 1 . . . . 41 ILE HG2 . 10337 1 419 . 1 1 41 41 ILE HG22 H 1 0.538 0.030 . 1 . . . . 41 ILE HG2 . 10337 1 420 . 1 1 41 41 ILE HG23 H 1 0.538 0.030 . 1 . . . . 41 ILE HG2 . 10337 1 421 . 1 1 41 41 ILE C C 13 175.219 0.300 . 1 . . . . 41 ILE C . 10337 1 422 . 1 1 41 41 ILE CA C 13 55.934 0.300 . 1 . . . . 41 ILE CA . 10337 1 423 . 1 1 41 41 ILE CB C 13 39.560 0.300 . 1 . . . . 41 ILE CB . 10337 1 424 . 1 1 41 41 ILE CD1 C 13 9.316 0.300 . 1 . . . . 41 ILE CD1 . 10337 1 425 . 1 1 41 41 ILE CG1 C 13 26.968 0.300 . 1 . . . . 41 ILE CG1 . 10337 1 426 . 1 1 41 41 ILE CG2 C 13 17.168 0.300 . 1 . . . . 41 ILE CG2 . 10337 1 427 . 1 1 41 41 ILE N N 15 120.753 0.300 . 1 . . . . 41 ILE N . 10337 1 428 . 1 1 42 42 PHE H H 1 9.194 0.030 . 1 . . . . 42 PHE H . 10337 1 429 . 1 1 42 42 PHE HA H 1 5.441 0.030 . 1 . . . . 42 PHE HA . 10337 1 430 . 1 1 42 42 PHE HB2 H 1 2.501 0.030 . 2 . . . . 42 PHE HB2 . 10337 1 431 . 1 1 42 42 PHE HB3 H 1 2.795 0.030 . 2 . . . . 42 PHE HB3 . 10337 1 432 . 1 1 42 42 PHE HD1 H 1 6.736 0.030 . 1 . . . . 42 PHE HD1 . 10337 1 433 . 1 1 42 42 PHE HD2 H 1 6.736 0.030 . 1 . . . . 42 PHE HD2 . 10337 1 434 . 1 1 42 42 PHE HE1 H 1 6.978 0.030 . 1 . . . . 42 PHE HE1 . 10337 1 435 . 1 1 42 42 PHE HE2 H 1 6.978 0.030 . 1 . . . . 42 PHE HE2 . 10337 1 436 . 1 1 42 42 PHE C C 13 175.612 0.300 . 1 . . . . 42 PHE C . 10337 1 437 . 1 1 42 42 PHE CA C 13 55.698 0.300 . 1 . . . . 42 PHE CA . 10337 1 438 . 1 1 42 42 PHE CB C 13 40.947 0.300 . 1 . . . . 42 PHE CB . 10337 1 439 . 1 1 42 42 PHE CD1 C 13 131.135 0.300 . 1 . . . . 42 PHE CD1 . 10337 1 440 . 1 1 42 42 PHE CD2 C 13 131.135 0.300 . 1 . . . . 42 PHE CD2 . 10337 1 441 . 1 1 42 42 PHE CE1 C 13 131.086 0.300 . 1 . . . . 42 PHE CE1 . 10337 1 442 . 1 1 42 42 PHE CE2 C 13 131.086 0.300 . 1 . . . . 42 PHE CE2 . 10337 1 443 . 1 1 42 42 PHE N N 15 125.373 0.300 . 1 . . . . 42 PHE N . 10337 1 444 . 1 1 43 43 MET H H 1 9.092 0.030 . 1 . . . . 43 MET H . 10337 1 445 . 1 1 43 43 MET HA H 1 5.084 0.030 . 1 . . . . 43 MET HA . 10337 1 446 . 1 1 43 43 MET HB2 H 1 1.775 0.030 . 2 . . . . 43 MET HB2 . 10337 1 447 . 1 1 43 43 MET HB3 H 1 1.949 0.030 . 2 . . . . 43 MET HB3 . 10337 1 448 . 1 1 43 43 MET HE1 H 1 1.958 0.030 . 1 . . . . 43 MET HE . 10337 1 449 . 1 1 43 43 MET HE2 H 1 1.958 0.030 . 1 . . . . 43 MET HE . 10337 1 450 . 1 1 43 43 MET HE3 H 1 1.958 0.030 . 1 . . . . 43 MET HE . 10337 1 451 . 1 1 43 43 MET HG2 H 1 2.314 0.030 . 2 . . . . 43 MET HG2 . 10337 1 452 . 1 1 43 43 MET HG3 H 1 2.561 0.030 . 2 . . . . 43 MET HG3 . 10337 1 453 . 1 1 43 43 MET C C 13 173.892 0.300 . 1 . . . . 43 MET C . 10337 1 454 . 1 1 43 43 MET CA C 13 54.198 0.300 . 1 . . . . 43 MET CA . 10337 1 455 . 1 1 43 43 MET CB C 13 35.770 0.300 . 1 . . . . 43 MET CB . 10337 1 456 . 1 1 43 43 MET CE C 13 17.625 0.300 . 1 . . . . 43 MET CE . 10337 1 457 . 1 1 43 43 MET CG C 13 32.226 0.300 . 1 . . . . 43 MET CG . 10337 1 458 . 1 1 43 43 MET N N 15 124.362 0.300 . 1 . . . . 43 MET N . 10337 1 459 . 1 1 44 44 SER H H 1 9.678 0.030 . 1 . . . . 44 SER H . 10337 1 460 . 1 1 44 44 SER HA H 1 5.106 0.030 . 1 . . . . 44 SER HA . 10337 1 461 . 1 1 44 44 SER HB2 H 1 3.219 0.030 . 2 . . . . 44 SER HB2 . 10337 1 462 . 1 1 44 44 SER HB3 H 1 3.551 0.030 . 2 . . . . 44 SER HB3 . 10337 1 463 . 1 1 44 44 SER C C 13 175.708 0.300 . 1 . . . . 44 SER C . 10337 1 464 . 1 1 44 44 SER CA C 13 53.615 0.300 . 1 . . . . 44 SER CA . 10337 1 465 . 1 1 44 44 SER CB C 13 64.227 0.300 . 1 . . . . 44 SER CB . 10337 1 466 . 1 1 44 44 SER N N 15 121.062 0.300 . 1 . . . . 44 SER N . 10337 1 467 . 1 1 45 45 PRO HA H 1 4.372 0.030 . 1 . . . . 45 PRO HA . 10337 1 468 . 1 1 45 45 PRO HB2 H 1 2.402 0.030 . 2 . . . . 45 PRO HB2 . 10337 1 469 . 1 1 45 45 PRO HB3 H 1 1.993 0.030 . 2 . . . . 45 PRO HB3 . 10337 1 470 . 1 1 45 45 PRO HD2 H 1 3.949 0.030 . 1 . . . . 45 PRO HD2 . 10337 1 471 . 1 1 45 45 PRO HD3 H 1 3.949 0.030 . 1 . . . . 45 PRO HD3 . 10337 1 472 . 1 1 45 45 PRO HG2 H 1 1.984 0.030 . 2 . . . . 45 PRO HG2 . 10337 1 473 . 1 1 45 45 PRO HG3 H 1 2.114 0.030 . 2 . . . . 45 PRO HG3 . 10337 1 474 . 1 1 45 45 PRO C C 13 177.982 0.300 . 1 . . . . 45 PRO C . 10337 1 475 . 1 1 45 45 PRO CA C 13 64.977 0.300 . 1 . . . . 45 PRO CA . 10337 1 476 . 1 1 45 45 PRO CB C 13 32.480 0.300 . 1 . . . . 45 PRO CB . 10337 1 477 . 1 1 45 45 PRO CD C 13 51.851 0.300 . 1 . . . . 45 PRO CD . 10337 1 478 . 1 1 45 45 PRO CG C 13 27.599 0.300 . 1 . . . . 45 PRO CG . 10337 1 479 . 1 1 46 46 MET H H 1 8.001 0.030 . 1 . . . . 46 MET H . 10337 1 480 . 1 1 46 46 MET HA H 1 4.398 0.030 . 1 . . . . 46 MET HA . 10337 1 481 . 1 1 46 46 MET HB2 H 1 1.942 0.030 . 2 . . . . 46 MET HB2 . 10337 1 482 . 1 1 46 46 MET HB3 H 1 2.173 0.030 . 2 . . . . 46 MET HB3 . 10337 1 483 . 1 1 46 46 MET HE1 H 1 2.062 0.030 . 1 . . . . 46 MET HE . 10337 1 484 . 1 1 46 46 MET HE2 H 1 2.062 0.030 . 1 . . . . 46 MET HE . 10337 1 485 . 1 1 46 46 MET HE3 H 1 2.062 0.030 . 1 . . . . 46 MET HE . 10337 1 486 . 1 1 46 46 MET HG2 H 1 2.547 0.030 . 2 . . . . 46 MET HG2 . 10337 1 487 . 1 1 46 46 MET HG3 H 1 2.601 0.030 . 2 . . . . 46 MET HG3 . 10337 1 488 . 1 1 46 46 MET C C 13 176.875 0.300 . 1 . . . . 46 MET C . 10337 1 489 . 1 1 46 46 MET CA C 13 56.669 0.300 . 1 . . . . 46 MET CA . 10337 1 490 . 1 1 46 46 MET CB C 13 32.240 0.300 . 1 . . . . 46 MET CB . 10337 1 491 . 1 1 46 46 MET CE C 13 16.979 0.300 . 1 . . . . 46 MET CE . 10337 1 492 . 1 1 46 46 MET CG C 13 32.402 0.300 . 1 . . . . 46 MET CG . 10337 1 493 . 1 1 46 46 MET N N 15 115.532 0.300 . 1 . . . . 46 MET N . 10337 1 494 . 1 1 47 47 GLU H H 1 7.634 0.030 . 1 . . . . 47 GLU H . 10337 1 495 . 1 1 47 47 GLU HA H 1 4.493 0.030 . 1 . . . . 47 GLU HA . 10337 1 496 . 1 1 47 47 GLU HB2 H 1 2.106 0.030 . 2 . . . . 47 GLU HB2 . 10337 1 497 . 1 1 47 47 GLU HB3 H 1 2.392 0.030 . 2 . . . . 47 GLU HB3 . 10337 1 498 . 1 1 47 47 GLU HG2 H 1 2.239 0.030 . 1 . . . . 47 GLU HG2 . 10337 1 499 . 1 1 47 47 GLU HG3 H 1 2.239 0.030 . 1 . . . . 47 GLU HG3 . 10337 1 500 . 1 1 47 47 GLU C C 13 176.252 0.300 . 1 . . . . 47 GLU C . 10337 1 501 . 1 1 47 47 GLU CA C 13 55.856 0.300 . 1 . . . . 47 GLU CA . 10337 1 502 . 1 1 47 47 GLU CB C 13 29.967 0.300 . 1 . . . . 47 GLU CB . 10337 1 503 . 1 1 47 47 GLU CG C 13 36.598 0.300 . 1 . . . . 47 GLU CG . 10337 1 504 . 1 1 47 47 GLU N N 15 117.669 0.300 . 1 . . . . 47 GLU N . 10337 1 505 . 1 1 48 48 GLN H H 1 7.611 0.030 . 1 . . . . 48 GLN H . 10337 1 506 . 1 1 48 48 GLN HA H 1 4.557 0.030 . 1 . . . . 48 GLN HA . 10337 1 507 . 1 1 48 48 GLN HB2 H 1 2.533 0.030 . 2 . . . . 48 GLN HB2 . 10337 1 508 . 1 1 48 48 GLN HB3 H 1 1.974 0.030 . 2 . . . . 48 GLN HB3 . 10337 1 509 . 1 1 48 48 GLN HG2 H 1 2.501 0.030 . 2 . . . . 48 GLN HG2 . 10337 1 510 . 1 1 48 48 GLN HG3 H 1 2.671 0.030 . 2 . . . . 48 GLN HG3 . 10337 1 511 . 1 1 48 48 GLN C C 13 177.007 0.300 . 1 . . . . 48 GLN C . 10337 1 512 . 1 1 48 48 GLN CA C 13 54.138 0.300 . 1 . . . . 48 GLN CA . 10337 1 513 . 1 1 48 48 GLN CB C 13 27.730 0.300 . 1 . . . . 48 GLN CB . 10337 1 514 . 1 1 48 48 GLN CG C 13 33.000 0.300 . 1 . . . . 48 GLN CG . 10337 1 515 . 1 1 48 48 GLN N N 15 116.091 0.300 . 1 . . . . 48 GLN N . 10337 1 516 . 1 1 49 49 THR H H 1 7.782 0.030 . 1 . . . . 49 THR H . 10337 1 517 . 1 1 49 49 THR HA H 1 4.141 0.030 . 1 . . . . 49 THR HA . 10337 1 518 . 1 1 49 49 THR HB H 1 4.178 0.030 . 1 . . . . 49 THR HB . 10337 1 519 . 1 1 49 49 THR HG21 H 1 1.181 0.030 . 1 . . . . 49 THR HG2 . 10337 1 520 . 1 1 49 49 THR HG22 H 1 1.181 0.030 . 1 . . . . 49 THR HG2 . 10337 1 521 . 1 1 49 49 THR HG23 H 1 1.181 0.030 . 1 . . . . 49 THR HG2 . 10337 1 522 . 1 1 49 49 THR C C 13 175.230 0.300 . 1 . . . . 49 THR C . 10337 1 523 . 1 1 49 49 THR CA C 13 63.739 0.300 . 1 . . . . 49 THR CA . 10337 1 524 . 1 1 49 49 THR CB C 13 69.211 0.300 . 1 . . . . 49 THR CB . 10337 1 525 . 1 1 49 49 THR CG2 C 13 21.750 0.300 . 1 . . . . 49 THR CG2 . 10337 1 526 . 1 1 49 49 THR N N 15 113.571 0.300 . 1 . . . . 49 THR N . 10337 1 527 . 1 1 50 50 SER H H 1 8.483 0.030 . 1 . . . . 50 SER H . 10337 1 528 . 1 1 50 50 SER HA H 1 4.545 0.030 . 1 . . . . 50 SER HA . 10337 1 529 . 1 1 50 50 SER HB2 H 1 3.877 0.030 . 2 . . . . 50 SER HB2 . 10337 1 530 . 1 1 50 50 SER HB3 H 1 3.741 0.030 . 2 . . . . 50 SER HB3 . 10337 1 531 . 1 1 50 50 SER C C 13 174.578 0.300 . 1 . . . . 50 SER C . 10337 1 532 . 1 1 50 50 SER CA C 13 57.966 0.300 . 1 . . . . 50 SER CA . 10337 1 533 . 1 1 50 50 SER CB C 13 64.372 0.300 . 1 . . . . 50 SER CB . 10337 1 534 . 1 1 51 51 THR H H 1 7.652 0.030 . 1 . . . . 51 THR H . 10337 1 535 . 1 1 51 51 THR HA H 1 4.269 0.030 . 1 . . . . 51 THR HA . 10337 1 536 . 1 1 51 51 THR HB H 1 4.316 0.030 . 1 . . . . 51 THR HB . 10337 1 537 . 1 1 51 51 THR HG21 H 1 1.266 0.030 . 1 . . . . 51 THR HG2 . 10337 1 538 . 1 1 51 51 THR HG22 H 1 1.266 0.030 . 1 . . . . 51 THR HG2 . 10337 1 539 . 1 1 51 51 THR HG23 H 1 1.266 0.030 . 1 . . . . 51 THR HG2 . 10337 1 540 . 1 1 51 51 THR C C 13 174.721 0.300 . 1 . . . . 51 THR C . 10337 1 541 . 1 1 51 51 THR CA C 13 61.464 0.300 . 1 . . . . 51 THR CA . 10337 1 542 . 1 1 51 51 THR CB C 13 70.269 0.300 . 1 . . . . 51 THR CB . 10337 1 543 . 1 1 51 51 THR CG2 C 13 22.695 0.300 . 1 . . . . 51 THR CG2 . 10337 1 544 . 1 1 51 51 THR N N 15 113.725 0.300 . 1 . . . . 51 THR N . 10337 1 545 . 1 1 52 52 SER H H 1 8.367 0.030 . 1 . . . . 52 SER H . 10337 1 546 . 1 1 52 52 SER HA H 1 4.548 0.030 . 1 . . . . 52 SER HA . 10337 1 547 . 1 1 52 52 SER HB2 H 1 3.855 0.030 . 1 . . . . 52 SER HB2 . 10337 1 548 . 1 1 52 52 SER HB3 H 1 3.855 0.030 . 1 . . . . 52 SER HB3 . 10337 1 549 . 1 1 52 52 SER C C 13 173.803 0.300 . 1 . . . . 52 SER C . 10337 1 550 . 1 1 52 52 SER CA C 13 57.974 0.300 . 1 . . . . 52 SER CA . 10337 1 551 . 1 1 52 52 SER CB C 13 63.929 0.300 . 1 . . . . 52 SER CB . 10337 1 552 . 1 1 52 52 SER N N 15 118.283 0.300 . 1 . . . . 52 SER N . 10337 1 553 . 1 1 53 53 GLU H H 1 8.614 0.030 . 1 . . . . 53 GLU H . 10337 1 554 . 1 1 53 53 GLU HA H 1 4.172 0.030 . 1 . . . . 53 GLU HA . 10337 1 555 . 1 1 53 53 GLU HB2 H 1 2.035 0.030 . 1 . . . . 53 GLU HB2 . 10337 1 556 . 1 1 53 53 GLU HB3 H 1 2.035 0.030 . 1 . . . . 53 GLU HB3 . 10337 1 557 . 1 1 53 53 GLU HG2 H 1 2.299 0.030 . 1 . . . . 53 GLU HG2 . 10337 1 558 . 1 1 53 53 GLU HG3 H 1 2.299 0.030 . 1 . . . . 53 GLU HG3 . 10337 1 559 . 1 1 53 53 GLU C C 13 177.661 0.300 . 1 . . . . 53 GLU C . 10337 1 560 . 1 1 53 53 GLU CA C 13 58.405 0.300 . 1 . . . . 53 GLU CA . 10337 1 561 . 1 1 53 53 GLU CB C 13 29.594 0.300 . 1 . . . . 53 GLU CB . 10337 1 562 . 1 1 53 53 GLU CG C 13 36.232 0.300 . 1 . . . . 53 GLU CG . 10337 1 563 . 1 1 53 53 GLU N N 15 122.938 0.300 . 1 . . . . 53 GLU N . 10337 1 564 . 1 1 54 54 GLY H H 1 8.906 0.030 . 1 . . . . 54 GLY H . 10337 1 565 . 1 1 54 54 GLY HA2 H 1 3.644 0.030 . 2 . . . . 54 GLY HA2 . 10337 1 566 . 1 1 54 54 GLY HA3 H 1 4.239 0.030 . 2 . . . . 54 GLY HA3 . 10337 1 567 . 1 1 54 54 GLY C C 13 174.133 0.300 . 1 . . . . 54 GLY C . 10337 1 568 . 1 1 54 54 GLY CA C 13 45.171 0.300 . 1 . . . . 54 GLY CA . 10337 1 569 . 1 1 54 54 GLY N N 15 113.119 0.300 . 1 . . . . 54 GLY N . 10337 1 570 . 1 1 55 55 TRP H H 1 8.172 0.030 . 1 . . . . 55 TRP H . 10337 1 571 . 1 1 55 55 TRP HA H 1 5.090 0.030 . 1 . . . . 55 TRP HA . 10337 1 572 . 1 1 55 55 TRP HB2 H 1 3.022 0.030 . 2 . . . . 55 TRP HB2 . 10337 1 573 . 1 1 55 55 TRP HB3 H 1 3.074 0.030 . 2 . . . . 55 TRP HB3 . 10337 1 574 . 1 1 55 55 TRP HD1 H 1 7.032 0.030 . 1 . . . . 55 TRP HD1 . 10337 1 575 . 1 1 55 55 TRP HE1 H 1 10.044 0.030 . 1 . . . . 55 TRP HE1 . 10337 1 576 . 1 1 55 55 TRP HE3 H 1 7.203 0.030 . 1 . . . . 55 TRP HE3 . 10337 1 577 . 1 1 55 55 TRP HH2 H 1 7.158 0.030 . 1 . . . . 55 TRP HH2 . 10337 1 578 . 1 1 55 55 TRP HZ2 H 1 7.351 0.030 . 1 . . . . 55 TRP HZ2 . 10337 1 579 . 1 1 55 55 TRP HZ3 H 1 6.519 0.030 . 1 . . . . 55 TRP HZ3 . 10337 1 580 . 1 1 55 55 TRP C C 13 174.719 0.300 . 1 . . . . 55 TRP C . 10337 1 581 . 1 1 55 55 TRP CA C 13 56.699 0.300 . 1 . . . . 55 TRP CA . 10337 1 582 . 1 1 55 55 TRP CB C 13 31.838 0.300 . 1 . . . . 55 TRP CB . 10337 1 583 . 1 1 55 55 TRP CD1 C 13 127.227 0.300 . 1 . . . . 55 TRP CD1 . 10337 1 584 . 1 1 55 55 TRP CE3 C 13 120.082 0.300 . 1 . . . . 55 TRP CE3 . 10337 1 585 . 1 1 55 55 TRP CH2 C 13 125.119 0.300 . 1 . . . . 55 TRP CH2 . 10337 1 586 . 1 1 55 55 TRP CZ2 C 13 114.362 0.300 . 1 . . . . 55 TRP CZ2 . 10337 1 587 . 1 1 55 55 TRP CZ3 C 13 120.155 0.300 . 1 . . . . 55 TRP CZ3 . 10337 1 588 . 1 1 55 55 TRP N N 15 122.218 0.300 . 1 . . . . 55 TRP N . 10337 1 589 . 1 1 55 55 TRP NE1 N 15 129.639 0.300 . 1 . . . . 55 TRP NE1 . 10337 1 590 . 1 1 56 56 ILE H H 1 9.209 0.030 . 1 . . . . 56 ILE H . 10337 1 591 . 1 1 56 56 ILE HA H 1 4.608 0.030 . 1 . . . . 56 ILE HA . 10337 1 592 . 1 1 56 56 ILE HB H 1 1.572 0.030 . 1 . . . . 56 ILE HB . 10337 1 593 . 1 1 56 56 ILE HD11 H 1 0.690 0.030 . 1 . . . . 56 ILE HD1 . 10337 1 594 . 1 1 56 56 ILE HD12 H 1 0.690 0.030 . 1 . . . . 56 ILE HD1 . 10337 1 595 . 1 1 56 56 ILE HD13 H 1 0.690 0.030 . 1 . . . . 56 ILE HD1 . 10337 1 596 . 1 1 56 56 ILE HG12 H 1 0.906 0.030 . 2 . . . . 56 ILE HG12 . 10337 1 597 . 1 1 56 56 ILE HG13 H 1 1.283 0.030 . 2 . . . . 56 ILE HG13 . 10337 1 598 . 1 1 56 56 ILE HG21 H 1 0.772 0.030 . 1 . . . . 56 ILE HG2 . 10337 1 599 . 1 1 56 56 ILE HG22 H 1 0.772 0.030 . 1 . . . . 56 ILE HG2 . 10337 1 600 . 1 1 56 56 ILE HG23 H 1 0.772 0.030 . 1 . . . . 56 ILE HG2 . 10337 1 601 . 1 1 56 56 ILE C C 13 173.543 0.300 . 1 . . . . 56 ILE C . 10337 1 602 . 1 1 56 56 ILE CA C 13 59.365 0.300 . 1 . . . . 56 ILE CA . 10337 1 603 . 1 1 56 56 ILE CB C 13 42.977 0.300 . 1 . . . . 56 ILE CB . 10337 1 604 . 1 1 56 56 ILE CD1 C 13 14.563 0.300 . 1 . . . . 56 ILE CD1 . 10337 1 605 . 1 1 56 56 ILE CG1 C 13 26.969 0.300 . 1 . . . . 56 ILE CG1 . 10337 1 606 . 1 1 56 56 ILE CG2 C 13 18.000 0.300 . 1 . . . . 56 ILE CG2 . 10337 1 607 . 1 1 56 56 ILE N N 15 118.490 0.300 . 1 . . . . 56 ILE N . 10337 1 608 . 1 1 57 57 TYR H H 1 9.445 0.030 . 1 . . . . 57 TYR H . 10337 1 609 . 1 1 57 57 TYR HA H 1 5.170 0.030 . 1 . . . . 57 TYR HA . 10337 1 610 . 1 1 57 57 TYR HB2 H 1 2.980 0.030 . 2 . . . . 57 TYR HB2 . 10337 1 611 . 1 1 57 57 TYR HB3 H 1 2.786 0.030 . 2 . . . . 57 TYR HB3 . 10337 1 612 . 1 1 57 57 TYR HD1 H 1 6.935 0.030 . 1 . . . . 57 TYR HD1 . 10337 1 613 . 1 1 57 57 TYR HD2 H 1 6.935 0.030 . 1 . . . . 57 TYR HD2 . 10337 1 614 . 1 1 57 57 TYR HE1 H 1 6.790 0.030 . 1 . . . . 57 TYR HE1 . 10337 1 615 . 1 1 57 57 TYR HE2 H 1 6.790 0.030 . 1 . . . . 57 TYR HE2 . 10337 1 616 . 1 1 57 57 TYR C C 13 176.206 0.300 . 1 . . . . 57 TYR C . 10337 1 617 . 1 1 57 57 TYR CA C 13 57.129 0.300 . 1 . . . . 57 TYR CA . 10337 1 618 . 1 1 57 57 TYR CB C 13 40.060 0.300 . 1 . . . . 57 TYR CB . 10337 1 619 . 1 1 57 57 TYR CD1 C 13 133.110 0.300 . 1 . . . . 57 TYR CD1 . 10337 1 620 . 1 1 57 57 TYR CD2 C 13 133.110 0.300 . 1 . . . . 57 TYR CD2 . 10337 1 621 . 1 1 57 57 TYR CE1 C 13 117.876 0.300 . 1 . . . . 57 TYR CE1 . 10337 1 622 . 1 1 57 57 TYR CE2 C 13 117.876 0.300 . 1 . . . . 57 TYR CE2 . 10337 1 623 . 1 1 57 57 TYR N N 15 125.397 0.300 . 1 . . . . 57 TYR N . 10337 1 624 . 1 1 58 58 GLY H H 1 8.432 0.030 . 1 . . . . 58 GLY H . 10337 1 625 . 1 1 58 58 GLY HA2 H 1 4.735 0.030 . 2 . . . . 58 GLY HA2 . 10337 1 626 . 1 1 58 58 GLY HA3 H 1 3.312 0.030 . 2 . . . . 58 GLY HA3 . 10337 1 627 . 1 1 58 58 GLY C C 13 170.157 0.300 . 1 . . . . 58 GLY C . 10337 1 628 . 1 1 58 58 GLY CA C 13 44.860 0.300 . 1 . . . . 58 GLY CA . 10337 1 629 . 1 1 58 58 GLY N N 15 116.101 0.300 . 1 . . . . 58 GLY N . 10337 1 630 . 1 1 59 59 THR H H 1 8.181 0.030 . 1 . . . . 59 THR H . 10337 1 631 . 1 1 59 59 THR HA H 1 4.999 0.030 . 1 . . . . 59 THR HA . 10337 1 632 . 1 1 59 59 THR HB H 1 3.530 0.030 . 1 . . . . 59 THR HB . 10337 1 633 . 1 1 59 59 THR HG21 H 1 0.989 0.030 . 1 . . . . 59 THR HG2 . 10337 1 634 . 1 1 59 59 THR HG22 H 1 0.989 0.030 . 1 . . . . 59 THR HG2 . 10337 1 635 . 1 1 59 59 THR HG23 H 1 0.989 0.030 . 1 . . . . 59 THR HG2 . 10337 1 636 . 1 1 59 59 THR C C 13 173.870 0.300 . 1 . . . . 59 THR C . 10337 1 637 . 1 1 59 59 THR CA C 13 61.202 0.300 . 1 . . . . 59 THR CA . 10337 1 638 . 1 1 59 59 THR CB C 13 72.522 0.300 . 1 . . . . 59 THR CB . 10337 1 639 . 1 1 59 59 THR CG2 C 13 20.789 0.300 . 1 . . . . 59 THR CG2 . 10337 1 640 . 1 1 59 59 THR N N 15 113.445 0.300 . 1 . . . . 59 THR N . 10337 1 641 . 1 1 60 60 SER H H 1 8.625 0.030 . 1 . . . . 60 SER H . 10337 1 642 . 1 1 60 60 SER HA H 1 4.676 0.030 . 1 . . . . 60 SER HA . 10337 1 643 . 1 1 60 60 SER HB2 H 1 4.012 0.030 . 2 . . . . 60 SER HB2 . 10337 1 644 . 1 1 60 60 SER HB3 H 1 3.859 0.030 . 2 . . . . 60 SER HB3 . 10337 1 645 . 1 1 60 60 SER C C 13 177.084 0.300 . 1 . . . . 60 SER C . 10337 1 646 . 1 1 60 60 SER CA C 13 57.627 0.300 . 1 . . . . 60 SER CA . 10337 1 647 . 1 1 60 60 SER CB C 13 63.471 0.300 . 1 . . . . 60 SER CB . 10337 1 648 . 1 1 60 60 SER N N 15 120.031 0.300 . 1 . . . . 60 SER N . 10337 1 649 . 1 1 61 61 LEU H H 1 9.274 0.030 . 1 . . . . 61 LEU H . 10337 1 650 . 1 1 61 61 LEU HA H 1 4.158 0.030 . 1 . . . . 61 LEU HA . 10337 1 651 . 1 1 61 61 LEU HB2 H 1 1.836 0.030 . 2 . . . . 61 LEU HB2 . 10337 1 652 . 1 1 61 61 LEU HB3 H 1 1.495 0.030 . 2 . . . . 61 LEU HB3 . 10337 1 653 . 1 1 61 61 LEU HD11 H 1 0.806 0.030 . 1 . . . . 61 LEU HD1 . 10337 1 654 . 1 1 61 61 LEU HD12 H 1 0.806 0.030 . 1 . . . . 61 LEU HD1 . 10337 1 655 . 1 1 61 61 LEU HD13 H 1 0.806 0.030 . 1 . . . . 61 LEU HD1 . 10337 1 656 . 1 1 61 61 LEU HD21 H 1 0.823 0.030 . 1 . . . . 61 LEU HD2 . 10337 1 657 . 1 1 61 61 LEU HD22 H 1 0.823 0.030 . 1 . . . . 61 LEU HD2 . 10337 1 658 . 1 1 61 61 LEU HD23 H 1 0.823 0.030 . 1 . . . . 61 LEU HD2 . 10337 1 659 . 1 1 61 61 LEU HG H 1 1.565 0.030 . 1 . . . . 61 LEU HG . 10337 1 660 . 1 1 61 61 LEU C C 13 178.358 0.300 . 1 . . . . 61 LEU C . 10337 1 661 . 1 1 61 61 LEU CA C 13 57.831 0.300 . 1 . . . . 61 LEU CA . 10337 1 662 . 1 1 61 61 LEU CB C 13 42.469 0.300 . 1 . . . . 61 LEU CB . 10337 1 663 . 1 1 61 61 LEU CD1 C 13 25.612 0.300 . 2 . . . . 61 LEU CD1 . 10337 1 664 . 1 1 61 61 LEU CD2 C 13 23.973 0.300 . 2 . . . . 61 LEU CD2 . 10337 1 665 . 1 1 61 61 LEU CG C 13 27.809 0.300 . 1 . . . . 61 LEU CG . 10337 1 666 . 1 1 61 61 LEU N N 15 132.174 0.300 . 1 . . . . 61 LEU N . 10337 1 667 . 1 1 62 62 THR H H 1 8.820 0.030 . 1 . . . . 62 THR H . 10337 1 668 . 1 1 62 62 THR HA H 1 4.000 0.030 . 1 . . . . 62 THR HA . 10337 1 669 . 1 1 62 62 THR HB H 1 4.105 0.030 . 1 . . . . 62 THR HB . 10337 1 670 . 1 1 62 62 THR HG21 H 1 1.175 0.030 . 1 . . . . 62 THR HG2 . 10337 1 671 . 1 1 62 62 THR HG22 H 1 1.175 0.030 . 1 . . . . 62 THR HG2 . 10337 1 672 . 1 1 62 62 THR HG23 H 1 1.175 0.030 . 1 . . . . 62 THR HG2 . 10337 1 673 . 1 1 62 62 THR C C 13 176.636 0.300 . 1 . . . . 62 THR C . 10337 1 674 . 1 1 62 62 THR CA C 13 67.080 0.300 . 1 . . . . 62 THR CA . 10337 1 675 . 1 1 62 62 THR CB C 13 69.076 0.300 . 1 . . . . 62 THR CB . 10337 1 676 . 1 1 62 62 THR CG2 C 13 21.191 0.300 . 1 . . . . 62 THR CG2 . 10337 1 677 . 1 1 62 62 THR N N 15 115.652 0.300 . 1 . . . . 62 THR N . 10337 1 678 . 1 1 63 63 THR H H 1 8.567 0.030 . 1 . . . . 63 THR H . 10337 1 679 . 1 1 63 63 THR HA H 1 4.465 0.030 . 1 . . . . 63 THR HA . 10337 1 680 . 1 1 63 63 THR HB H 1 4.533 0.030 . 1 . . . . 63 THR HB . 10337 1 681 . 1 1 63 63 THR HG21 H 1 1.245 0.030 . 1 . . . . 63 THR HG2 . 10337 1 682 . 1 1 63 63 THR HG22 H 1 1.245 0.030 . 1 . . . . 63 THR HG2 . 10337 1 683 . 1 1 63 63 THR HG23 H 1 1.245 0.030 . 1 . . . . 63 THR HG2 . 10337 1 684 . 1 1 63 63 THR C C 13 176.800 0.300 . 1 . . . . 63 THR C . 10337 1 685 . 1 1 63 63 THR CA C 13 62.035 0.300 . 1 . . . . 63 THR CA . 10337 1 686 . 1 1 63 63 THR CB C 13 71.097 0.300 . 1 . . . . 63 THR CB . 10337 1 687 . 1 1 63 63 THR CG2 C 13 21.209 0.300 . 1 . . . . 63 THR CG2 . 10337 1 688 . 1 1 63 63 THR N N 15 108.699 0.300 . 1 . . . . 63 THR N . 10337 1 689 . 1 1 64 64 GLY H H 1 8.043 0.030 . 1 . . . . 64 GLY H . 10337 1 690 . 1 1 64 64 GLY HA2 H 1 3.850 0.030 . 2 . . . . 64 GLY HA2 . 10337 1 691 . 1 1 64 64 GLY HA3 H 1 4.203 0.030 . 2 . . . . 64 GLY HA3 . 10337 1 692 . 1 1 64 64 GLY C C 13 173.969 0.300 . 1 . . . . 64 GLY C . 10337 1 693 . 1 1 64 64 GLY CA C 13 45.849 0.300 . 1 . . . . 64 GLY CA . 10337 1 694 . 1 1 64 64 GLY N N 15 111.163 0.300 . 1 . . . . 64 GLY N . 10337 1 695 . 1 1 65 65 CYS H H 1 7.946 0.030 . 1 . . . . 65 CYS H . 10337 1 696 . 1 1 65 65 CYS HA H 1 4.513 0.030 . 1 . . . . 65 CYS HA . 10337 1 697 . 1 1 65 65 CYS HB2 H 1 3.059 0.030 . 2 . . . . 65 CYS HB2 . 10337 1 698 . 1 1 65 65 CYS HB3 H 1 2.716 0.030 . 2 . . . . 65 CYS HB3 . 10337 1 699 . 1 1 65 65 CYS C C 13 173.070 0.300 . 1 . . . . 65 CYS C . 10337 1 700 . 1 1 65 65 CYS CA C 13 59.802 0.300 . 1 . . . . 65 CYS CA . 10337 1 701 . 1 1 65 65 CYS CB C 13 28.835 0.300 . 1 . . . . 65 CYS CB . 10337 1 702 . 1 1 65 65 CYS N N 15 119.468 0.300 . 1 . . . . 65 CYS N . 10337 1 703 . 1 1 66 66 SER H H 1 8.605 0.030 . 1 . . . . 66 SER H . 10337 1 704 . 1 1 66 66 SER HA H 1 5.739 0.030 . 1 . . . . 66 SER HA . 10337 1 705 . 1 1 66 66 SER HB2 H 1 3.557 0.030 . 2 . . . . 66 SER HB2 . 10337 1 706 . 1 1 66 66 SER HB3 H 1 3.608 0.030 . 2 . . . . 66 SER HB3 . 10337 1 707 . 1 1 66 66 SER C C 13 173.528 0.300 . 1 . . . . 66 SER C . 10337 1 708 . 1 1 66 66 SER CA C 13 57.015 0.300 . 1 . . . . 66 SER CA . 10337 1 709 . 1 1 66 66 SER CB C 13 65.897 0.300 . 1 . . . . 66 SER CB . 10337 1 710 . 1 1 66 66 SER N N 15 115.696 0.300 . 1 . . . . 66 SER N . 10337 1 711 . 1 1 67 67 GLY H H 1 8.393 0.030 . 1 . . . . 67 GLY H . 10337 1 712 . 1 1 67 67 GLY HA2 H 1 3.810 0.030 . 2 . . . . 67 GLY HA2 . 10337 1 713 . 1 1 67 67 GLY HA3 H 1 4.082 0.030 . 2 . . . . 67 GLY HA3 . 10337 1 714 . 1 1 67 67 GLY C C 13 170.123 0.300 . 1 . . . . 67 GLY C . 10337 1 715 . 1 1 67 67 GLY CA C 13 45.278 0.300 . 1 . . . . 67 GLY CA . 10337 1 716 . 1 1 67 67 GLY N N 15 108.919 0.300 . 1 . . . . 67 GLY N . 10337 1 717 . 1 1 68 68 LEU H H 1 8.658 0.030 . 1 . . . . 68 LEU H . 10337 1 718 . 1 1 68 68 LEU HA H 1 5.350 0.030 . 1 . . . . 68 LEU HA . 10337 1 719 . 1 1 68 68 LEU HB2 H 1 1.679 0.030 . 2 . . . . 68 LEU HB2 . 10337 1 720 . 1 1 68 68 LEU HB3 H 1 1.564 0.030 . 2 . . . . 68 LEU HB3 . 10337 1 721 . 1 1 68 68 LEU HD11 H 1 0.715 0.030 . 1 . . . . 68 LEU HD1 . 10337 1 722 . 1 1 68 68 LEU HD12 H 1 0.715 0.030 . 1 . . . . 68 LEU HD1 . 10337 1 723 . 1 1 68 68 LEU HD13 H 1 0.715 0.030 . 1 . . . . 68 LEU HD1 . 10337 1 724 . 1 1 68 68 LEU HD21 H 1 0.974 0.030 . 1 . . . . 68 LEU HD2 . 10337 1 725 . 1 1 68 68 LEU HD22 H 1 0.974 0.030 . 1 . . . . 68 LEU HD2 . 10337 1 726 . 1 1 68 68 LEU HD23 H 1 0.974 0.030 . 1 . . . . 68 LEU HD2 . 10337 1 727 . 1 1 68 68 LEU HG H 1 1.844 0.030 . 1 . . . . 68 LEU HG . 10337 1 728 . 1 1 68 68 LEU C C 13 177.076 0.300 . 1 . . . . 68 LEU C . 10337 1 729 . 1 1 68 68 LEU CA C 13 54.381 0.300 . 1 . . . . 68 LEU CA . 10337 1 730 . 1 1 68 68 LEU CB C 13 44.848 0.300 . 1 . . . . 68 LEU CB . 10337 1 731 . 1 1 68 68 LEU CD1 C 13 25.604 0.300 . 2 . . . . 68 LEU CD1 . 10337 1 732 . 1 1 68 68 LEU CD2 C 13 23.956 0.300 . 2 . . . . 68 LEU CD2 . 10337 1 733 . 1 1 68 68 LEU CG C 13 27.335 0.300 . 1 . . . . 68 LEU CG . 10337 1 734 . 1 1 68 68 LEU N N 15 119.237 0.300 . 1 . . . . 68 LEU N . 10337 1 735 . 1 1 69 69 LEU H H 1 9.810 0.030 . 1 . . . . 69 LEU H . 10337 1 736 . 1 1 69 69 LEU HA H 1 5.026 0.030 . 1 . . . . 69 LEU HA . 10337 1 737 . 1 1 69 69 LEU HB2 H 1 1.467 0.030 . 2 . . . . 69 LEU HB2 . 10337 1 738 . 1 1 69 69 LEU HB3 H 1 1.662 0.030 . 2 . . . . 69 LEU HB3 . 10337 1 739 . 1 1 69 69 LEU HD11 H 1 0.554 0.030 . 1 . . . . 69 LEU HD1 . 10337 1 740 . 1 1 69 69 LEU HD12 H 1 0.554 0.030 . 1 . . . . 69 LEU HD1 . 10337 1 741 . 1 1 69 69 LEU HD13 H 1 0.554 0.030 . 1 . . . . 69 LEU HD1 . 10337 1 742 . 1 1 69 69 LEU HD21 H 1 0.701 0.030 . 1 . . . . 69 LEU HD2 . 10337 1 743 . 1 1 69 69 LEU HD22 H 1 0.701 0.030 . 1 . . . . 69 LEU HD2 . 10337 1 744 . 1 1 69 69 LEU HD23 H 1 0.701 0.030 . 1 . . . . 69 LEU HD2 . 10337 1 745 . 1 1 69 69 LEU HG H 1 1.997 0.030 . 1 . . . . 69 LEU HG . 10337 1 746 . 1 1 69 69 LEU C C 13 172.605 0.300 . 1 . . . . 69 LEU C . 10337 1 747 . 1 1 69 69 LEU CA C 13 52.397 0.300 . 1 . . . . 69 LEU CA . 10337 1 748 . 1 1 69 69 LEU CB C 13 42.131 0.300 . 1 . . . . 69 LEU CB . 10337 1 749 . 1 1 69 69 LEU CD1 C 13 28.183 0.300 . 2 . . . . 69 LEU CD1 . 10337 1 750 . 1 1 69 69 LEU CD2 C 13 28.853 0.300 . 2 . . . . 69 LEU CD2 . 10337 1 751 . 1 1 69 69 LEU CG C 13 24.405 0.300 . 1 . . . . 69 LEU CG . 10337 1 752 . 1 1 69 69 LEU N N 15 117.912 0.300 . 1 . . . . 69 LEU N . 10337 1 753 . 1 1 70 70 PRO HA H 1 3.450 0.030 . 1 . . . . 70 PRO HA . 10337 1 754 . 1 1 70 70 PRO HB2 H 1 1.210 0.030 . 2 . . . . 70 PRO HB2 . 10337 1 755 . 1 1 70 70 PRO HB3 H 1 0.633 0.030 . 2 . . . . 70 PRO HB3 . 10337 1 756 . 1 1 70 70 PRO HD2 H 1 2.504 0.030 . 1 . . . . 70 PRO HD2 . 10337 1 757 . 1 1 70 70 PRO HD3 H 1 2.504 0.030 . 1 . . . . 70 PRO HD3 . 10337 1 758 . 1 1 70 70 PRO HG2 H 1 0.516 0.030 . 2 . . . . 70 PRO HG2 . 10337 1 759 . 1 1 70 70 PRO HG3 H 1 -0.123 0.030 . 2 . . . . 70 PRO HG3 . 10337 1 760 . 1 1 70 70 PRO CA C 13 60.965 0.300 . 1 . . . . 70 PRO CA . 10337 1 761 . 1 1 70 70 PRO CB C 13 30.240 0.300 . 1 . . . . 70 PRO CB . 10337 1 762 . 1 1 70 70 PRO CD C 13 49.768 0.300 . 1 . . . . 70 PRO CD . 10337 1 763 . 1 1 70 70 PRO CG C 13 26.310 0.300 . 1 . . . . 70 PRO CG . 10337 1 764 . 1 1 71 71 GLU H H 1 7.898 0.030 . 1 . . . . 71 GLU H . 10337 1 765 . 1 1 71 71 GLU HA H 1 3.587 0.030 . 1 . . . . 71 GLU HA . 10337 1 766 . 1 1 71 71 GLU HB2 H 1 1.756 0.030 . 2 . . . . 71 GLU HB2 . 10337 1 767 . 1 1 71 71 GLU HB3 H 1 1.648 0.030 . 2 . . . . 71 GLU HB3 . 10337 1 768 . 1 1 71 71 GLU HG2 H 1 2.096 0.030 . 2 . . . . 71 GLU HG2 . 10337 1 769 . 1 1 71 71 GLU HG3 H 1 1.953 0.030 . 2 . . . . 71 GLU HG3 . 10337 1 770 . 1 1 71 71 GLU C C 13 176.395 0.300 . 1 . . . . 71 GLU C . 10337 1 771 . 1 1 71 71 GLU CA C 13 58.382 0.300 . 1 . . . . 71 GLU CA . 10337 1 772 . 1 1 71 71 GLU CB C 13 30.053 0.300 . 1 . . . . 71 GLU CB . 10337 1 773 . 1 1 71 71 GLU CG C 13 35.607 0.300 . 1 . . . . 71 GLU CG . 10337 1 774 . 1 1 71 71 GLU N N 15 122.964 0.300 . 1 . . . . 71 GLU N . 10337 1 775 . 1 1 72 72 ASN H H 1 8.464 0.030 . 1 . . . . 72 ASN H . 10337 1 776 . 1 1 72 72 ASN HA H 1 4.661 0.030 . 1 . . . . 72 ASN HA . 10337 1 777 . 1 1 72 72 ASN HB2 H 1 2.729 0.030 . 1 . . . . 72 ASN HB2 . 10337 1 778 . 1 1 72 72 ASN HB3 H 1 2.729 0.030 . 1 . . . . 72 ASN HB3 . 10337 1 779 . 1 1 72 72 ASN HD21 H 1 7.459 0.030 . 2 . . . . 72 ASN HD21 . 10337 1 780 . 1 1 72 72 ASN HD22 H 1 6.777 0.030 . 2 . . . . 72 ASN HD22 . 10337 1 781 . 1 1 72 72 ASN C C 13 175.343 0.300 . 1 . . . . 72 ASN C . 10337 1 782 . 1 1 72 72 ASN CA C 13 53.864 0.300 . 1 . . . . 72 ASN CA . 10337 1 783 . 1 1 72 72 ASN CB C 13 36.551 0.300 . 1 . . . . 72 ASN CB . 10337 1 784 . 1 1 72 72 ASN N N 15 112.172 0.300 . 1 . . . . 72 ASN N . 10337 1 785 . 1 1 72 72 ASN ND2 N 15 112.586 0.300 . 1 . . . . 72 ASN ND2 . 10337 1 786 . 1 1 73 73 TYR H H 1 7.585 0.030 . 1 . . . . 73 TYR H . 10337 1 787 . 1 1 73 73 TYR HA H 1 4.623 0.030 . 1 . . . . 73 TYR HA . 10337 1 788 . 1 1 73 73 TYR HB2 H 1 2.748 0.030 . 2 . . . . 73 TYR HB2 . 10337 1 789 . 1 1 73 73 TYR HB3 H 1 3.577 0.030 . 2 . . . . 73 TYR HB3 . 10337 1 790 . 1 1 73 73 TYR HD1 H 1 6.927 0.030 . 1 . . . . 73 TYR HD1 . 10337 1 791 . 1 1 73 73 TYR HD2 H 1 6.927 0.030 . 1 . . . . 73 TYR HD2 . 10337 1 792 . 1 1 73 73 TYR HE1 H 1 6.891 0.030 . 1 . . . . 73 TYR HE1 . 10337 1 793 . 1 1 73 73 TYR HE2 H 1 6.891 0.030 . 1 . . . . 73 TYR HE2 . 10337 1 794 . 1 1 73 73 TYR C C 13 174.748 0.300 . 1 . . . . 73 TYR C . 10337 1 795 . 1 1 73 73 TYR CA C 13 58.184 0.300 . 1 . . . . 73 TYR CA . 10337 1 796 . 1 1 73 73 TYR CB C 13 37.804 0.300 . 1 . . . . 73 TYR CB . 10337 1 797 . 1 1 73 73 TYR CD1 C 13 132.890 0.300 . 1 . . . . 73 TYR CD1 . 10337 1 798 . 1 1 73 73 TYR CD2 C 13 132.890 0.300 . 1 . . . . 73 TYR CD2 . 10337 1 799 . 1 1 73 73 TYR CE1 C 13 117.960 0.300 . 1 . . . . 73 TYR CE1 . 10337 1 800 . 1 1 73 73 TYR CE2 C 13 117.960 0.300 . 1 . . . . 73 TYR CE2 . 10337 1 801 . 1 1 73 73 TYR N N 15 119.638 0.300 . 1 . . . . 73 TYR N . 10337 1 802 . 1 1 74 74 ILE H H 1 7.358 0.030 . 1 . . . . 74 ILE H . 10337 1 803 . 1 1 74 74 ILE HA H 1 5.233 0.030 . 1 . . . . 74 ILE HA . 10337 1 804 . 1 1 74 74 ILE HB H 1 1.797 0.030 . 1 . . . . 74 ILE HB . 10337 1 805 . 1 1 74 74 ILE HD11 H 1 0.704 0.030 . 1 . . . . 74 ILE HD1 . 10337 1 806 . 1 1 74 74 ILE HD12 H 1 0.704 0.030 . 1 . . . . 74 ILE HD1 . 10337 1 807 . 1 1 74 74 ILE HD13 H 1 0.704 0.030 . 1 . . . . 74 ILE HD1 . 10337 1 808 . 1 1 74 74 ILE HG12 H 1 1.427 0.030 . 2 . . . . 74 ILE HG12 . 10337 1 809 . 1 1 74 74 ILE HG13 H 1 0.971 0.030 . 2 . . . . 74 ILE HG13 . 10337 1 810 . 1 1 74 74 ILE HG21 H 1 0.618 0.030 . 1 . . . . 74 ILE HG2 . 10337 1 811 . 1 1 74 74 ILE HG22 H 1 0.618 0.030 . 1 . . . . 74 ILE HG2 . 10337 1 812 . 1 1 74 74 ILE HG23 H 1 0.618 0.030 . 1 . . . . 74 ILE HG2 . 10337 1 813 . 1 1 74 74 ILE C C 13 174.605 0.300 . 1 . . . . 74 ILE C . 10337 1 814 . 1 1 74 74 ILE CA C 13 57.329 0.300 . 1 . . . . 74 ILE CA . 10337 1 815 . 1 1 74 74 ILE CB C 13 42.698 0.300 . 1 . . . . 74 ILE CB . 10337 1 816 . 1 1 74 74 ILE CD1 C 13 14.990 0.300 . 1 . . . . 74 ILE CD1 . 10337 1 817 . 1 1 74 74 ILE CG1 C 13 26.186 0.300 . 1 . . . . 74 ILE CG1 . 10337 1 818 . 1 1 74 74 ILE CG2 C 13 21.761 0.300 . 1 . . . . 74 ILE CG2 . 10337 1 819 . 1 1 74 74 ILE N N 15 110.878 0.300 . 1 . . . . 74 ILE N . 10337 1 820 . 1 1 75 75 THR H H 1 8.564 0.030 . 1 . . . . 75 THR H . 10337 1 821 . 1 1 75 75 THR HA H 1 4.570 0.030 . 1 . . . . 75 THR HA . 10337 1 822 . 1 1 75 75 THR HB H 1 3.937 0.030 . 1 . . . . 75 THR HB . 10337 1 823 . 1 1 75 75 THR HG21 H 1 1.048 0.030 . 1 . . . . 75 THR HG2 . 10337 1 824 . 1 1 75 75 THR HG22 H 1 1.048 0.030 . 1 . . . . 75 THR HG2 . 10337 1 825 . 1 1 75 75 THR HG23 H 1 1.048 0.030 . 1 . . . . 75 THR HG2 . 10337 1 826 . 1 1 75 75 THR C C 13 172.839 0.300 . 1 . . . . 75 THR C . 10337 1 827 . 1 1 75 75 THR CA C 13 60.047 0.300 . 1 . . . . 75 THR CA . 10337 1 828 . 1 1 75 75 THR CB C 13 71.027 0.300 . 1 . . . . 75 THR CB . 10337 1 829 . 1 1 75 75 THR CG2 C 13 19.874 0.300 . 1 . . . . 75 THR CG2 . 10337 1 830 . 1 1 75 75 THR N N 15 113.157 0.300 . 1 . . . . 75 THR N . 10337 1 831 . 1 1 76 76 LYS H H 1 8.234 0.030 . 1 . . . . 76 LYS H . 10337 1 832 . 1 1 76 76 LYS HA H 1 4.303 0.030 . 1 . . . . 76 LYS HA . 10337 1 833 . 1 1 76 76 LYS HB2 H 1 1.753 0.030 . 2 . . . . 76 LYS HB2 . 10337 1 834 . 1 1 76 76 LYS HB3 H 1 1.875 0.030 . 2 . . . . 76 LYS HB3 . 10337 1 835 . 1 1 76 76 LYS HD2 H 1 1.677 0.030 . 1 . . . . 76 LYS HD2 . 10337 1 836 . 1 1 76 76 LYS HD3 H 1 1.677 0.030 . 1 . . . . 76 LYS HD3 . 10337 1 837 . 1 1 76 76 LYS HE2 H 1 2.976 0.030 . 1 . . . . 76 LYS HE2 . 10337 1 838 . 1 1 76 76 LYS HE3 H 1 2.976 0.030 . 1 . . . . 76 LYS HE3 . 10337 1 839 . 1 1 76 76 LYS HG2 H 1 1.444 0.030 . 2 . . . . 76 LYS HG2 . 10337 1 840 . 1 1 76 76 LYS HG3 H 1 1.504 0.030 . 2 . . . . 76 LYS HG3 . 10337 1 841 . 1 1 76 76 LYS C C 13 176.445 0.300 . 1 . . . . 76 LYS C . 10337 1 842 . 1 1 76 76 LYS CA C 13 57.823 0.300 . 1 . . . . 76 LYS CA . 10337 1 843 . 1 1 76 76 LYS CB C 13 32.824 0.300 . 1 . . . . 76 LYS CB . 10337 1 844 . 1 1 76 76 LYS CD C 13 29.141 0.300 . 1 . . . . 76 LYS CD . 10337 1 845 . 1 1 76 76 LYS CE C 13 42.022 0.300 . 1 . . . . 76 LYS CE . 10337 1 846 . 1 1 76 76 LYS CG C 13 25.128 0.300 . 1 . . . . 76 LYS CG . 10337 1 847 . 1 1 76 76 LYS N N 15 125.054 0.300 . 1 . . . . 76 LYS N . 10337 1 848 . 1 1 77 77 ALA H H 1 8.507 0.030 . 1 . . . . 77 ALA H . 10337 1 849 . 1 1 77 77 ALA HA H 1 4.424 0.030 . 1 . . . . 77 ALA HA . 10337 1 850 . 1 1 77 77 ALA HB1 H 1 1.299 0.030 . 1 . . . . 77 ALA HB . 10337 1 851 . 1 1 77 77 ALA HB2 H 1 1.299 0.030 . 1 . . . . 77 ALA HB . 10337 1 852 . 1 1 77 77 ALA HB3 H 1 1.299 0.030 . 1 . . . . 77 ALA HB . 10337 1 853 . 1 1 77 77 ALA C C 13 176.872 0.300 . 1 . . . . 77 ALA C . 10337 1 854 . 1 1 77 77 ALA CA C 13 52.053 0.300 . 1 . . . . 77 ALA CA . 10337 1 855 . 1 1 77 77 ALA CB C 13 19.843 0.300 . 1 . . . . 77 ALA CB . 10337 1 856 . 1 1 77 77 ALA N N 15 127.043 0.300 . 1 . . . . 77 ALA N . 10337 1 857 . 1 1 78 78 ASP H H 1 8.459 0.030 . 1 . . . . 78 ASP H . 10337 1 858 . 1 1 78 78 ASP HA H 1 4.575 0.030 . 1 . . . . 78 ASP HA . 10337 1 859 . 1 1 78 78 ASP HB2 H 1 2.710 0.030 . 1 . . . . 78 ASP HB2 . 10337 1 860 . 1 1 78 78 ASP HB3 H 1 2.710 0.030 . 1 . . . . 78 ASP HB3 . 10337 1 861 . 1 1 78 78 ASP C C 13 176.758 0.300 . 1 . . . . 78 ASP C . 10337 1 862 . 1 1 78 78 ASP CA C 13 54.435 0.300 . 1 . . . . 78 ASP CA . 10337 1 863 . 1 1 78 78 ASP CB C 13 41.575 0.300 . 1 . . . . 78 ASP CB . 10337 1 864 . 1 1 78 78 ASP N N 15 120.341 0.300 . 1 . . . . 78 ASP N . 10337 1 865 . 1 1 79 79 GLU H H 1 8.565 0.030 . 1 . . . . 79 GLU H . 10337 1 866 . 1 1 79 79 GLU HA H 1 4.200 0.030 . 1 . . . . 79 GLU HA . 10337 1 867 . 1 1 79 79 GLU HB2 H 1 2.045 0.030 . 1 . . . . 79 GLU HB2 . 10337 1 868 . 1 1 79 79 GLU HB3 H 1 2.045 0.030 . 1 . . . . 79 GLU HB3 . 10337 1 869 . 1 1 79 79 GLU HG2 H 1 2.266 0.030 . 1 . . . . 79 GLU HG2 . 10337 1 870 . 1 1 79 79 GLU HG3 H 1 2.266 0.030 . 1 . . . . 79 GLU HG3 . 10337 1 871 . 1 1 79 79 GLU C C 13 176.844 0.300 . 1 . . . . 79 GLU C . 10337 1 872 . 1 1 79 79 GLU CA C 13 57.539 0.300 . 1 . . . . 79 GLU CA . 10337 1 873 . 1 1 79 79 GLU CB C 13 29.677 0.300 . 1 . . . . 79 GLU CB . 10337 1 874 . 1 1 79 79 GLU CG C 13 36.234 0.300 . 1 . . . . 79 GLU CG . 10337 1 875 . 1 1 79 79 GLU N N 15 121.214 0.300 . 1 . . . . 79 GLU N . 10337 1 876 . 1 1 80 80 CYS H H 1 8.294 0.030 . 1 . . . . 80 CYS H . 10337 1 877 . 1 1 80 80 CYS HA H 1 4.226 0.030 . 1 . . . . 80 CYS HA . 10337 1 878 . 1 1 80 80 CYS HB2 H 1 2.794 0.030 . 1 . . . . 80 CYS HB2 . 10337 1 879 . 1 1 80 80 CYS HB3 H 1 2.794 0.030 . 1 . . . . 80 CYS HB3 . 10337 1 880 . 1 1 80 80 CYS C C 13 175.137 0.300 . 1 . . . . 80 CYS C . 10337 1 881 . 1 1 80 80 CYS CA C 13 58.978 0.300 . 1 . . . . 80 CYS CA . 10337 1 882 . 1 1 80 80 CYS CB C 13 27.629 0.300 . 1 . . . . 80 CYS CB . 10337 1 883 . 1 1 80 80 CYS N N 15 118.660 0.300 . 1 . . . . 80 CYS N . 10337 1 884 . 1 1 81 81 SER H H 1 8.177 0.030 . 1 . . . . 81 SER H . 10337 1 885 . 1 1 81 81 SER HA H 1 4.361 0.030 . 1 . . . . 81 SER HA . 10337 1 886 . 1 1 81 81 SER HB2 H 1 3.841 0.030 . 1 . . . . 81 SER HB2 . 10337 1 887 . 1 1 81 81 SER HB3 H 1 3.841 0.030 . 1 . . . . 81 SER HB3 . 10337 1 888 . 1 1 81 81 SER C C 13 174.689 0.300 . 1 . . . . 81 SER C . 10337 1 889 . 1 1 81 81 SER CA C 13 59.225 0.300 . 1 . . . . 81 SER CA . 10337 1 890 . 1 1 81 81 SER CB C 13 63.769 0.300 . 1 . . . . 81 SER CB . 10337 1 891 . 1 1 81 81 SER N N 15 117.762 0.300 . 1 . . . . 81 SER N . 10337 1 892 . 1 1 82 82 THR H H 1 7.929 0.030 . 1 . . . . 82 THR H . 10337 1 893 . 1 1 82 82 THR HA H 1 4.159 0.030 . 1 . . . . 82 THR HA . 10337 1 894 . 1 1 82 82 THR HB H 1 4.119 0.030 . 1 . . . . 82 THR HB . 10337 1 895 . 1 1 82 82 THR HG21 H 1 1.039 0.030 . 1 . . . . 82 THR HG2 . 10337 1 896 . 1 1 82 82 THR HG22 H 1 1.039 0.030 . 1 . . . . 82 THR HG2 . 10337 1 897 . 1 1 82 82 THR HG23 H 1 1.039 0.030 . 1 . . . . 82 THR HG2 . 10337 1 898 . 1 1 82 82 THR C C 13 174.397 0.300 . 1 . . . . 82 THR C . 10337 1 899 . 1 1 82 82 THR CA C 13 62.448 0.300 . 1 . . . . 82 THR CA . 10337 1 900 . 1 1 82 82 THR CB C 13 69.513 0.300 . 1 . . . . 82 THR CB . 10337 1 901 . 1 1 82 82 THR CG2 C 13 21.571 0.300 . 1 . . . . 82 THR CG2 . 10337 1 902 . 1 1 82 82 THR N N 15 114.440 0.300 . 1 . . . . 82 THR N . 10337 1 903 . 1 1 83 83 TRP H H 1 7.835 0.030 . 1 . . . . 83 TRP H . 10337 1 904 . 1 1 83 83 TRP HA H 1 4.547 0.030 . 1 . . . . 83 TRP HA . 10337 1 905 . 1 1 83 83 TRP HB2 H 1 3.108 0.030 . 1 . . . . 83 TRP HB2 . 10337 1 906 . 1 1 83 83 TRP HB3 H 1 3.108 0.030 . 1 . . . . 83 TRP HB3 . 10337 1 907 . 1 1 83 83 TRP HD1 H 1 7.017 0.030 . 1 . . . . 83 TRP HD1 . 10337 1 908 . 1 1 83 83 TRP HE1 H 1 10.000 0.030 . 1 . . . . 83 TRP HE1 . 10337 1 909 . 1 1 83 83 TRP HE3 H 1 7.434 0.030 . 1 . . . . 83 TRP HE3 . 10337 1 910 . 1 1 83 83 TRP HH2 H 1 7.085 0.030 . 1 . . . . 83 TRP HH2 . 10337 1 911 . 1 1 83 83 TRP HZ2 H 1 7.350 0.030 . 1 . . . . 83 TRP HZ2 . 10337 1 912 . 1 1 83 83 TRP HZ3 H 1 6.989 0.030 . 1 . . . . 83 TRP HZ3 . 10337 1 913 . 1 1 83 83 TRP C C 13 175.975 0.300 . 1 . . . . 83 TRP C . 10337 1 914 . 1 1 83 83 TRP CA C 13 57.328 0.300 . 1 . . . . 83 TRP CA . 10337 1 915 . 1 1 83 83 TRP CB C 13 29.357 0.300 . 1 . . . . 83 TRP CB . 10337 1 916 . 1 1 83 83 TRP CD1 C 13 126.860 0.300 . 1 . . . . 83 TRP CD1 . 10337 1 917 . 1 1 83 83 TRP CE3 C 13 120.880 0.300 . 1 . . . . 83 TRP CE3 . 10337 1 918 . 1 1 83 83 TRP CH2 C 13 124.553 0.300 . 1 . . . . 83 TRP CH2 . 10337 1 919 . 1 1 83 83 TRP CZ2 C 13 114.353 0.300 . 1 . . . . 83 TRP CZ2 . 10337 1 920 . 1 1 83 83 TRP CZ3 C 13 121.923 0.300 . 1 . . . . 83 TRP CZ3 . 10337 1 921 . 1 1 83 83 TRP N N 15 122.817 0.300 . 1 . . . . 83 TRP N . 10337 1 922 . 1 1 83 83 TRP NE1 N 15 129.101 0.300 . 1 . . . . 83 TRP NE1 . 10337 1 923 . 1 1 84 84 ILE H H 1 7.492 0.030 . 1 . . . . 84 ILE H . 10337 1 924 . 1 1 84 84 ILE HA H 1 3.889 0.030 . 1 . . . . 84 ILE HA . 10337 1 925 . 1 1 84 84 ILE HB H 1 1.492 0.030 . 1 . . . . 84 ILE HB . 10337 1 926 . 1 1 84 84 ILE HD11 H 1 0.636 0.030 . 1 . . . . 84 ILE HD1 . 10337 1 927 . 1 1 84 84 ILE HD12 H 1 0.636 0.030 . 1 . . . . 84 ILE HD1 . 10337 1 928 . 1 1 84 84 ILE HD13 H 1 0.636 0.030 . 1 . . . . 84 ILE HD1 . 10337 1 929 . 1 1 84 84 ILE HG12 H 1 1.042 0.030 . 2 . . . . 84 ILE HG12 . 10337 1 930 . 1 1 84 84 ILE HG13 H 1 0.817 0.030 . 2 . . . . 84 ILE HG13 . 10337 1 931 . 1 1 84 84 ILE HG21 H 1 0.492 0.030 . 1 . . . . 84 ILE HG2 . 10337 1 932 . 1 1 84 84 ILE HG22 H 1 0.492 0.030 . 1 . . . . 84 ILE HG2 . 10337 1 933 . 1 1 84 84 ILE HG23 H 1 0.492 0.030 . 1 . . . . 84 ILE HG2 . 10337 1 934 . 1 1 84 84 ILE C C 13 175.385 0.300 . 1 . . . . 84 ILE C . 10337 1 935 . 1 1 84 84 ILE CA C 13 61.207 0.300 . 1 . . . . 84 ILE CA . 10337 1 936 . 1 1 84 84 ILE CB C 13 38.732 0.300 . 1 . . . . 84 ILE CB . 10337 1 937 . 1 1 84 84 ILE CD1 C 13 12.985 0.300 . 1 . . . . 84 ILE CD1 . 10337 1 938 . 1 1 84 84 ILE CG1 C 13 26.989 0.300 . 1 . . . . 84 ILE CG1 . 10337 1 939 . 1 1 84 84 ILE CG2 C 13 17.072 0.300 . 1 . . . . 84 ILE CG2 . 10337 1 940 . 1 1 84 84 ILE N N 15 121.261 0.300 . 1 . . . . 84 ILE N . 10337 1 941 . 1 1 85 85 PHE H H 1 7.915 0.030 . 1 . . . . 85 PHE H . 10337 1 942 . 1 1 85 85 PHE HA H 1 4.467 0.030 . 1 . . . . 85 PHE HA . 10337 1 943 . 1 1 85 85 PHE HB2 H 1 2.811 0.030 . 2 . . . . 85 PHE HB2 . 10337 1 944 . 1 1 85 85 PHE HB3 H 1 2.948 0.030 . 2 . . . . 85 PHE HB3 . 10337 1 945 . 1 1 85 85 PHE HD1 H 1 7.096 0.030 . 1 . . . . 85 PHE HD1 . 10337 1 946 . 1 1 85 85 PHE HD2 H 1 7.096 0.030 . 1 . . . . 85 PHE HD2 . 10337 1 947 . 1 1 85 85 PHE HE1 H 1 7.187 0.030 . 1 . . . . 85 PHE HE1 . 10337 1 948 . 1 1 85 85 PHE HE2 H 1 7.187 0.030 . 1 . . . . 85 PHE HE2 . 10337 1 949 . 1 1 85 85 PHE C C 13 175.459 0.300 . 1 . . . . 85 PHE C . 10337 1 950 . 1 1 85 85 PHE CA C 13 57.613 0.300 . 1 . . . . 85 PHE CA . 10337 1 951 . 1 1 85 85 PHE CB C 13 39.446 0.300 . 1 . . . . 85 PHE CB . 10337 1 952 . 1 1 85 85 PHE CD1 C 13 131.750 0.300 . 1 . . . . 85 PHE CD1 . 10337 1 953 . 1 1 85 85 PHE CD2 C 13 131.750 0.300 . 1 . . . . 85 PHE CD2 . 10337 1 954 . 1 1 85 85 PHE CE1 C 13 131.500 0.300 . 1 . . . . 85 PHE CE1 . 10337 1 955 . 1 1 85 85 PHE CE2 C 13 131.500 0.300 . 1 . . . . 85 PHE CE2 . 10337 1 956 . 1 1 85 85 PHE N N 15 122.882 0.300 . 1 . . . . 85 PHE N . 10337 1 957 . 1 1 86 86 HIS H H 1 8.148 0.030 . 1 . . . . 86 HIS H . 10337 1 958 . 1 1 86 86 HIS HA H 1 4.546 0.030 . 1 . . . . 86 HIS HA . 10337 1 959 . 1 1 86 86 HIS HB2 H 1 2.992 0.030 . 2 . . . . 86 HIS HB2 . 10337 1 960 . 1 1 86 86 HIS HB3 H 1 3.111 0.030 . 2 . . . . 86 HIS HB3 . 10337 1 961 . 1 1 86 86 HIS HD2 H 1 7.015 0.030 . 1 . . . . 86 HIS HD2 . 10337 1 962 . 1 1 86 86 HIS HE1 H 1 7.985 0.030 . 1 . . . . 86 HIS HE1 . 10337 1 963 . 1 1 86 86 HIS C C 13 175.349 0.300 . 1 . . . . 86 HIS C . 10337 1 964 . 1 1 86 86 HIS CA C 13 56.103 0.300 . 1 . . . . 86 HIS CA . 10337 1 965 . 1 1 86 86 HIS CB C 13 30.370 0.300 . 1 . . . . 86 HIS CB . 10337 1 966 . 1 1 86 86 HIS CD2 C 13 119.999 0.300 . 1 . . . . 86 HIS CD2 . 10337 1 967 . 1 1 86 86 HIS CE1 C 13 137.735 0.300 . 1 . . . . 86 HIS CE1 . 10337 1 968 . 1 1 86 86 HIS N N 15 121.428 0.300 . 1 . . . . 86 HIS N . 10337 1 969 . 1 1 87 87 GLY H H 1 7.858 0.030 . 1 . . . . 87 GLY H . 10337 1 970 . 1 1 87 87 GLY HA2 H 1 3.876 0.030 . 1 . . . . 87 GLY HA2 . 10337 1 971 . 1 1 87 87 GLY HA3 H 1 3.876 0.030 . 1 . . . . 87 GLY HA3 . 10337 1 972 . 1 1 87 87 GLY C C 13 174.033 0.300 . 1 . . . . 87 GLY C . 10337 1 973 . 1 1 87 87 GLY CA C 13 45.234 0.300 . 1 . . . . 87 GLY CA . 10337 1 974 . 1 1 87 87 GLY N N 15 109.443 0.300 . 1 . . . . 87 GLY N . 10337 1 stop_ save_