data_10211 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10211 _Entry.Title ; Solution structure of the SH3 domain of human Tyrosine-protein kinase ITK/TSK ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-18 _Entry.Accession_date 2008-03-18 _Entry.Last_release_date 2009-03-18 _Entry.Original_release_date 2009-03-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 H. Abe . . . 10211 2 K. Miyamoto . . . 10211 3 N. Tochio . . . 10211 4 M. Sato . . . 10211 5 S. Koshiba . . . 10211 6 T. Harada . . . 10211 7 S. Watanabe . . . 10211 8 T. Kigawa . . . 10211 9 S. Yokoyama . . . 10211 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10211 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10211 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 365 10211 '15N chemical shifts' 86 10211 '1H chemical shifts' 559 10211 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-03-18 2008-03-18 original author . 10211 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YUQ 'BMRB Entry Tracking System' 10211 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10211 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the SH3 domain of human Tyrosine-protein kinase ITK/TSK' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Abe . . . 10211 1 2 K. Miyamoto . . . 10211 1 3 N. Tochio . . . 10211 1 4 M. Sato . . . 10211 1 5 S. Koshiba . . . 10211 1 6 T. Harada . . . 10211 1 7 S. Watanabe . . . 10211 1 8 T. Kigawa . . . 10211 1 9 S. Yokoyama . . . 10211 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10211 _Assembly.ID 1 _Assembly.Name 'Tyrosine-protein kinase ITK/TSK (E.C.2.7.10.2)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _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 . . . 10211 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2YUQ . . . . . . 10211 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10211 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEDNRRPLWEPEET VVIALYDYQTNDPQELALRR NEEYCLLDSSEIHWWRVQDR NGHEGYVPSSYLVEKSPNNL ETYEW ; _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 85 _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 BMRB 18119 . entity . . . . . 76.47 66 96.92 96.92 9.05e-37 . . . . 10211 1 2 no PDB 2LMJ . Itk-Sh3 . . . . . 76.47 66 96.92 96.92 9.05e-37 . . . . 10211 1 3 no PDB 2YUQ . "Solution Structure Of The Sh3 Domain Of Human Tyrosine- Protein Kinase ItkTSK" . . . . . 100.00 85 100.00 100.00 1.04e-53 . . . . 10211 1 4 no DBJ BAA02873 . "ITK [Homo sapiens]" . . . . . 91.76 620 100.00 100.00 2.86e-46 . . . . 10211 1 5 no DBJ BAD92859 . "IL2-inducible T-cell kinase variant [Homo sapiens]" . . . . . 91.76 376 100.00 100.00 2.41e-47 . . . . 10211 1 6 no DBJ BAG35699 . "unnamed protein product [Homo sapiens]" . . . . . 91.76 620 100.00 100.00 2.86e-46 . . . . 10211 1 7 no DBJ BAJ20704 . "IL2-inducible T-cell kinase [synthetic construct]" . . . . . 91.76 620 100.00 100.00 2.86e-46 . . . . 10211 1 8 no GB AAA36748 . "tyrosine kinase [Homo sapiens]" . . . . . 91.76 620 100.00 100.00 2.86e-46 . . . . 10211 1 9 no GB AAB28072 . "EMT [Homo sapiens]" . . . . . 91.76 620 100.00 100.00 3.63e-46 . . . . 10211 1 10 no GB AAI09078 . "IL2-inducible T-cell kinase [Homo sapiens]" . . . . . 91.76 620 100.00 100.00 2.86e-46 . . . . 10211 1 11 no GB AAI09079 . "IL2-inducible T-cell kinase [Homo sapiens]" . . . . . 91.76 620 100.00 100.00 2.86e-46 . . . . 10211 1 12 no GB AAQ02517 . "IL2-inducible T-cell kinase, partial [synthetic construct]" . . . . . 91.76 621 100.00 100.00 2.82e-46 . . . . 10211 1 13 no REF NP_001253373 . "tyrosine-protein kinase ITK/TSK [Macaca mulatta]" . . . . . 91.76 620 100.00 100.00 3.71e-46 . . . . 10211 1 14 no REF NP_005537 . "tyrosine-protein kinase ITK/TSK [Homo sapiens]" . . . . . 91.76 620 100.00 100.00 2.86e-46 . . . . 10211 1 15 no REF XP_001136073 . "PREDICTED: tyrosine-protein kinase ITK/TSK isoform X1 [Pan troglodytes]" . . . . . 91.76 620 100.00 100.00 2.62e-46 . . . . 10211 1 16 no REF XP_002744141 . "PREDICTED: tyrosine-protein kinase ITK/TSK [Callithrix jacchus]" . . . . . 91.76 620 98.72 100.00 9.32e-46 . . . . 10211 1 17 no REF XP_003268620 . "PREDICTED: tyrosine-protein kinase ITK/TSK [Nomascus leucogenys]" . . . . . 91.76 621 98.72 100.00 9.55e-46 . . . . 10211 1 18 no SP Q08881 . "RecName: Full=Tyrosine-protein kinase ITK/TSK; AltName: Full=Interleukin-2-inducible T-cell kinase; Short=IL-2-inducible T-cell" . . . . . 91.76 620 100.00 100.00 2.86e-46 . . . . 10211 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 10211 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 . 10211 1 2 . SER . 10211 1 3 . SER . 10211 1 4 . GLY . 10211 1 5 . SER . 10211 1 6 . SER . 10211 1 7 . GLY . 10211 1 8 . GLU . 10211 1 9 . ASP . 10211 1 10 . ASN . 10211 1 11 . ARG . 10211 1 12 . ARG . 10211 1 13 . PRO . 10211 1 14 . LEU . 10211 1 15 . TRP . 10211 1 16 . GLU . 10211 1 17 . PRO . 10211 1 18 . GLU . 10211 1 19 . GLU . 10211 1 20 . THR . 10211 1 21 . VAL . 10211 1 22 . VAL . 10211 1 23 . ILE . 10211 1 24 . ALA . 10211 1 25 . LEU . 10211 1 26 . TYR . 10211 1 27 . ASP . 10211 1 28 . TYR . 10211 1 29 . GLN . 10211 1 30 . THR . 10211 1 31 . ASN . 10211 1 32 . ASP . 10211 1 33 . PRO . 10211 1 34 . GLN . 10211 1 35 . GLU . 10211 1 36 . LEU . 10211 1 37 . ALA . 10211 1 38 . LEU . 10211 1 39 . ARG . 10211 1 40 . ARG . 10211 1 41 . ASN . 10211 1 42 . GLU . 10211 1 43 . GLU . 10211 1 44 . TYR . 10211 1 45 . CYS . 10211 1 46 . LEU . 10211 1 47 . LEU . 10211 1 48 . ASP . 10211 1 49 . SER . 10211 1 50 . SER . 10211 1 51 . GLU . 10211 1 52 . ILE . 10211 1 53 . HIS . 10211 1 54 . TRP . 10211 1 55 . TRP . 10211 1 56 . ARG . 10211 1 57 . VAL . 10211 1 58 . GLN . 10211 1 59 . ASP . 10211 1 60 . ARG . 10211 1 61 . ASN . 10211 1 62 . GLY . 10211 1 63 . HIS . 10211 1 64 . GLU . 10211 1 65 . GLY . 10211 1 66 . TYR . 10211 1 67 . VAL . 10211 1 68 . PRO . 10211 1 69 . SER . 10211 1 70 . SER . 10211 1 71 . TYR . 10211 1 72 . LEU . 10211 1 73 . VAL . 10211 1 74 . GLU . 10211 1 75 . LYS . 10211 1 76 . SER . 10211 1 77 . PRO . 10211 1 78 . ASN . 10211 1 79 . ASN . 10211 1 80 . LEU . 10211 1 81 . GLU . 10211 1 82 . THR . 10211 1 83 . TYR . 10211 1 84 . GLU . 10211 1 85 . TRP . 10211 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 10211 1 . SER 2 2 10211 1 . SER 3 3 10211 1 . GLY 4 4 10211 1 . SER 5 5 10211 1 . SER 6 6 10211 1 . GLY 7 7 10211 1 . GLU 8 8 10211 1 . ASP 9 9 10211 1 . ASN 10 10 10211 1 . ARG 11 11 10211 1 . ARG 12 12 10211 1 . PRO 13 13 10211 1 . LEU 14 14 10211 1 . TRP 15 15 10211 1 . GLU 16 16 10211 1 . PRO 17 17 10211 1 . GLU 18 18 10211 1 . GLU 19 19 10211 1 . THR 20 20 10211 1 . VAL 21 21 10211 1 . VAL 22 22 10211 1 . ILE 23 23 10211 1 . ALA 24 24 10211 1 . LEU 25 25 10211 1 . TYR 26 26 10211 1 . ASP 27 27 10211 1 . TYR 28 28 10211 1 . GLN 29 29 10211 1 . THR 30 30 10211 1 . ASN 31 31 10211 1 . ASP 32 32 10211 1 . PRO 33 33 10211 1 . GLN 34 34 10211 1 . GLU 35 35 10211 1 . LEU 36 36 10211 1 . ALA 37 37 10211 1 . LEU 38 38 10211 1 . ARG 39 39 10211 1 . ARG 40 40 10211 1 . ASN 41 41 10211 1 . GLU 42 42 10211 1 . GLU 43 43 10211 1 . TYR 44 44 10211 1 . CYS 45 45 10211 1 . LEU 46 46 10211 1 . LEU 47 47 10211 1 . ASP 48 48 10211 1 . SER 49 49 10211 1 . SER 50 50 10211 1 . GLU 51 51 10211 1 . ILE 52 52 10211 1 . HIS 53 53 10211 1 . TRP 54 54 10211 1 . TRP 55 55 10211 1 . ARG 56 56 10211 1 . VAL 57 57 10211 1 . GLN 58 58 10211 1 . ASP 59 59 10211 1 . ARG 60 60 10211 1 . ASN 61 61 10211 1 . GLY 62 62 10211 1 . HIS 63 63 10211 1 . GLU 64 64 10211 1 . GLY 65 65 10211 1 . TYR 66 66 10211 1 . VAL 67 67 10211 1 . PRO 68 68 10211 1 . SER 69 69 10211 1 . SER 70 70 10211 1 . TYR 71 71 10211 1 . LEU 72 72 10211 1 . VAL 73 73 10211 1 . GLU 74 74 10211 1 . LYS 75 75 10211 1 . SER 76 76 10211 1 . PRO 77 77 10211 1 . ASN 78 78 10211 1 . ASN 79 79 10211 1 . LEU 80 80 10211 1 . GLU 81 81 10211 1 . THR 82 82 10211 1 . TYR 83 83 10211 1 . GLU 84 84 10211 1 . TRP 85 85 10211 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 10211 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10211 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 10211 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P060821-01 . . . . . . 10211 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10211 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.20 . . mM . . . . 10211 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10211 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10211 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10211 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10211 1 6 H2O . . . . . . solvent 90 . . % . . . . 10211 1 7 D2O . . . . . . solvent 10 . . % . . . . 10211 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 10211 _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 10211 1 pH 7.0 0.05 pH 10211 1 pressure 1 0.001 atm 10211 1 temperature 298 0.1 K 10211 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10211 _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 . . 10211 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10211 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10211 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 10211 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10211 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10211 _Software.ID 3 _Software.Name NMNMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10211 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10211 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10211 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10211 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10211 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10211 _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 'Guentert, P.' . . 10211 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10211 5 'structure solution' 10211 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 10211 _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 10211 _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 . . . 10211 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 10211 _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 . . . . . . . . . . . . . . . . 10211 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10211 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 10211 _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 . . . . . . . . . 10211 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10211 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10211 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 10211 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10211 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10211 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY CA C 13 45.365 0.300 . 1 . . . . 7 GLY CA . 10211 1 2 . 1 1 7 7 GLY HA2 H 1 3.970 0.030 . 2 . . . . 7 GLY HA2 . 10211 1 3 . 1 1 7 7 GLY HA3 H 1 3.824 0.030 . 2 . . . . 7 GLY HA3 . 10211 1 4 . 1 1 7 7 GLY C C 13 174.351 0.300 . 1 . . . . 7 GLY C . 10211 1 5 . 1 1 8 8 GLU N N 15 120.458 0.300 . 1 . . . . 8 GLU N . 10211 1 6 . 1 1 8 8 GLU H H 1 8.288 0.030 . 1 . . . . 8 GLU H . 10211 1 7 . 1 1 8 8 GLU CA C 13 56.663 0.300 . 1 . . . . 8 GLU CA . 10211 1 8 . 1 1 8 8 GLU HA H 1 4.254 0.030 . 1 . . . . 8 GLU HA . 10211 1 9 . 1 1 8 8 GLU CB C 13 30.248 0.300 . 1 . . . . 8 GLU CB . 10211 1 10 . 1 1 8 8 GLU HB2 H 1 2.027 0.030 . 2 . . . . 8 GLU HB2 . 10211 1 11 . 1 1 8 8 GLU HB3 H 1 1.885 0.030 . 2 . . . . 8 GLU HB3 . 10211 1 12 . 1 1 8 8 GLU CG C 13 36.275 0.300 . 1 . . . . 8 GLU CG . 10211 1 13 . 1 1 8 8 GLU HG2 H 1 2.203 0.030 . 1 . . . . 8 GLU HG2 . 10211 1 14 . 1 1 8 8 GLU HG3 H 1 2.203 0.030 . 1 . . . . 8 GLU HG3 . 10211 1 15 . 1 1 8 8 GLU C C 13 176.364 0.300 . 1 . . . . 8 GLU C . 10211 1 16 . 1 1 9 9 ASP N N 15 120.849 0.300 . 1 . . . . 9 ASP N . 10211 1 17 . 1 1 9 9 ASP H H 1 8.379 0.030 . 1 . . . . 9 ASP H . 10211 1 18 . 1 1 9 9 ASP CA C 13 54.402 0.300 . 1 . . . . 9 ASP CA . 10211 1 19 . 1 1 9 9 ASP HA H 1 4.543 0.030 . 1 . . . . 9 ASP HA . 10211 1 20 . 1 1 9 9 ASP CB C 13 41.035 0.300 . 1 . . . . 9 ASP CB . 10211 1 21 . 1 1 9 9 ASP HB2 H 1 2.694 0.030 . 2 . . . . 9 ASP HB2 . 10211 1 22 . 1 1 9 9 ASP HB3 H 1 2.591 0.030 . 2 . . . . 9 ASP HB3 . 10211 1 23 . 1 1 9 9 ASP C C 13 176.003 0.300 . 1 . . . . 9 ASP C . 10211 1 24 . 1 1 10 10 ASN N N 15 119.270 0.300 . 1 . . . . 10 ASN N . 10211 1 25 . 1 1 10 10 ASN H H 1 8.303 0.030 . 1 . . . . 10 ASN H . 10211 1 26 . 1 1 10 10 ASN CA C 13 53.233 0.300 . 1 . . . . 10 ASN CA . 10211 1 27 . 1 1 10 10 ASN HA H 1 4.654 0.030 . 1 . . . . 10 ASN HA . 10211 1 28 . 1 1 10 10 ASN CB C 13 38.832 0.300 . 1 . . . . 10 ASN CB . 10211 1 29 . 1 1 10 10 ASN HB2 H 1 2.813 0.030 . 2 . . . . 10 ASN HB2 . 10211 1 30 . 1 1 10 10 ASN HB3 H 1 2.713 0.030 . 2 . . . . 10 ASN HB3 . 10211 1 31 . 1 1 10 10 ASN ND2 N 15 112.615 0.300 . 1 . . . . 10 ASN ND2 . 10211 1 32 . 1 1 10 10 ASN HD21 H 1 7.611 0.030 . 2 . . . . 10 ASN HD21 . 10211 1 33 . 1 1 10 10 ASN HD22 H 1 6.919 0.030 . 2 . . . . 10 ASN HD22 . 10211 1 34 . 1 1 10 10 ASN C C 13 175.079 0.300 . 1 . . . . 10 ASN C . 10211 1 35 . 1 1 11 11 ARG N N 15 120.795 0.300 . 1 . . . . 11 ARG N . 10211 1 36 . 1 1 11 11 ARG H H 1 8.132 0.030 . 1 . . . . 11 ARG H . 10211 1 37 . 1 1 11 11 ARG CA C 13 56.092 0.300 . 1 . . . . 11 ARG CA . 10211 1 38 . 1 1 11 11 ARG HA H 1 4.257 0.030 . 1 . . . . 11 ARG HA . 10211 1 39 . 1 1 11 11 ARG CB C 13 30.721 0.300 . 1 . . . . 11 ARG CB . 10211 1 40 . 1 1 11 11 ARG HB2 H 1 1.791 0.030 . 2 . . . . 11 ARG HB2 . 10211 1 41 . 1 1 11 11 ARG HB3 H 1 1.718 0.030 . 2 . . . . 11 ARG HB3 . 10211 1 42 . 1 1 11 11 ARG CG C 13 26.842 0.300 . 1 . . . . 11 ARG CG . 10211 1 43 . 1 1 11 11 ARG HG2 H 1 1.590 0.030 . 1 . . . . 11 ARG HG2 . 10211 1 44 . 1 1 11 11 ARG HG3 H 1 1.590 0.030 . 1 . . . . 11 ARG HG3 . 10211 1 45 . 1 1 11 11 ARG CD C 13 43.308 0.300 . 1 . . . . 11 ARG CD . 10211 1 46 . 1 1 11 11 ARG HD2 H 1 3.119 0.030 . 1 . . . . 11 ARG HD2 . 10211 1 47 . 1 1 11 11 ARG HD3 H 1 3.119 0.030 . 1 . . . . 11 ARG HD3 . 10211 1 48 . 1 1 11 11 ARG C C 13 176.045 0.300 . 1 . . . . 11 ARG C . 10211 1 49 . 1 1 12 12 ARG N N 15 123.167 0.300 . 1 . . . . 12 ARG N . 10211 1 50 . 1 1 12 12 ARG H H 1 8.222 0.030 . 1 . . . . 12 ARG H . 10211 1 51 . 1 1 12 12 ARG CA C 13 53.918 0.300 . 1 . . . . 12 ARG CA . 10211 1 52 . 1 1 12 12 ARG HA H 1 4.506 0.030 . 1 . . . . 12 ARG HA . 10211 1 53 . 1 1 12 12 ARG CB C 13 29.923 0.300 . 1 . . . . 12 ARG CB . 10211 1 54 . 1 1 12 12 ARG HB2 H 1 1.759 0.030 . 2 . . . . 12 ARG HB2 . 10211 1 55 . 1 1 12 12 ARG HB3 H 1 1.664 0.030 . 2 . . . . 12 ARG HB3 . 10211 1 56 . 1 1 12 12 ARG CG C 13 26.687 0.300 . 1 . . . . 12 ARG CG . 10211 1 57 . 1 1 12 12 ARG HG2 H 1 1.584 0.030 . 1 . . . . 12 ARG HG2 . 10211 1 58 . 1 1 12 12 ARG HG3 H 1 1.584 0.030 . 1 . . . . 12 ARG HG3 . 10211 1 59 . 1 1 12 12 ARG CD C 13 43.305 0.300 . 1 . . . . 12 ARG CD . 10211 1 60 . 1 1 12 12 ARG HD2 H 1 3.122 0.030 . 1 . . . . 12 ARG HD2 . 10211 1 61 . 1 1 12 12 ARG HD3 H 1 3.122 0.030 . 1 . . . . 12 ARG HD3 . 10211 1 62 . 1 1 12 12 ARG C C 13 174.073 0.300 . 1 . . . . 12 ARG C . 10211 1 63 . 1 1 13 13 PRO CA C 13 62.815 0.300 . 1 . . . . 13 PRO CA . 10211 1 64 . 1 1 13 13 PRO HA H 1 4.255 0.030 . 1 . . . . 13 PRO HA . 10211 1 65 . 1 1 13 13 PRO CB C 13 31.903 0.300 . 1 . . . . 13 PRO CB . 10211 1 66 . 1 1 13 13 PRO HB2 H 1 1.571 0.030 . 2 . . . . 13 PRO HB2 . 10211 1 67 . 1 1 13 13 PRO HB3 H 1 2.012 0.030 . 2 . . . . 13 PRO HB3 . 10211 1 68 . 1 1 13 13 PRO CG C 13 27.421 0.300 . 1 . . . . 13 PRO CG . 10211 1 69 . 1 1 13 13 PRO HG2 H 1 1.863 0.030 . 1 . . . . 13 PRO HG2 . 10211 1 70 . 1 1 13 13 PRO HG3 H 1 1.863 0.030 . 1 . . . . 13 PRO HG3 . 10211 1 71 . 1 1 13 13 PRO CD C 13 50.525 0.300 . 1 . . . . 13 PRO CD . 10211 1 72 . 1 1 13 13 PRO HD2 H 1 3.512 0.030 . 2 . . . . 13 PRO HD2 . 10211 1 73 . 1 1 13 13 PRO HD3 H 1 3.673 0.030 . 2 . . . . 13 PRO HD3 . 10211 1 74 . 1 1 13 13 PRO C C 13 176.315 0.300 . 1 . . . . 13 PRO C . 10211 1 75 . 1 1 14 14 LEU N N 15 122.009 0.300 . 1 . . . . 14 LEU N . 10211 1 76 . 1 1 14 14 LEU H H 1 8.090 0.030 . 1 . . . . 14 LEU H . 10211 1 77 . 1 1 14 14 LEU CA C 13 55.286 0.300 . 1 . . . . 14 LEU CA . 10211 1 78 . 1 1 14 14 LEU HA H 1 4.065 0.030 . 1 . . . . 14 LEU HA . 10211 1 79 . 1 1 14 14 LEU CB C 13 42.258 0.300 . 1 . . . . 14 LEU CB . 10211 1 80 . 1 1 14 14 LEU HB2 H 1 1.353 0.030 . 2 . . . . 14 LEU HB2 . 10211 1 81 . 1 1 14 14 LEU HB3 H 1 1.261 0.030 . 2 . . . . 14 LEU HB3 . 10211 1 82 . 1 1 14 14 LEU CG C 13 26.865 0.300 . 1 . . . . 14 LEU CG . 10211 1 83 . 1 1 14 14 LEU HG H 1 1.384 0.030 . 1 . . . . 14 LEU HG . 10211 1 84 . 1 1 14 14 LEU CD1 C 13 24.784 0.300 . 2 . . . . 14 LEU CD1 . 10211 1 85 . 1 1 14 14 LEU HD11 H 1 0.778 0.030 . 1 . . . . 14 LEU HD1 . 10211 1 86 . 1 1 14 14 LEU HD12 H 1 0.778 0.030 . 1 . . . . 14 LEU HD1 . 10211 1 87 . 1 1 14 14 LEU HD13 H 1 0.778 0.030 . 1 . . . . 14 LEU HD1 . 10211 1 88 . 1 1 14 14 LEU CD2 C 13 23.799 0.300 . 2 . . . . 14 LEU CD2 . 10211 1 89 . 1 1 14 14 LEU HD21 H 1 0.710 0.030 . 1 . . . . 14 LEU HD2 . 10211 1 90 . 1 1 14 14 LEU HD22 H 1 0.710 0.030 . 1 . . . . 14 LEU HD2 . 10211 1 91 . 1 1 14 14 LEU HD23 H 1 0.710 0.030 . 1 . . . . 14 LEU HD2 . 10211 1 92 . 1 1 14 14 LEU C C 13 176.610 0.300 . 1 . . . . 14 LEU C . 10211 1 93 . 1 1 15 15 TRP N N 15 120.219 0.300 . 1 . . . . 15 TRP N . 10211 1 94 . 1 1 15 15 TRP H H 1 7.582 0.030 . 1 . . . . 15 TRP H . 10211 1 95 . 1 1 15 15 TRP CA C 13 56.114 0.300 . 1 . . . . 15 TRP CA . 10211 1 96 . 1 1 15 15 TRP HA H 1 4.803 0.030 . 1 . . . . 15 TRP HA . 10211 1 97 . 1 1 15 15 TRP CB C 13 29.845 0.300 . 1 . . . . 15 TRP CB . 10211 1 98 . 1 1 15 15 TRP HB2 H 1 3.205 0.030 . 2 . . . . 15 TRP HB2 . 10211 1 99 . 1 1 15 15 TRP HB3 H 1 3.041 0.030 . 2 . . . . 15 TRP HB3 . 10211 1 100 . 1 1 15 15 TRP CD1 C 13 127.403 0.300 . 1 . . . . 15 TRP CD1 . 10211 1 101 . 1 1 15 15 TRP HD1 H 1 7.196 0.030 . 1 . . . . 15 TRP HD1 . 10211 1 102 . 1 1 15 15 TRP NE1 N 15 129.315 0.300 . 1 . . . . 15 TRP NE1 . 10211 1 103 . 1 1 15 15 TRP HE1 H 1 10.059 0.030 . 1 . . . . 15 TRP HE1 . 10211 1 104 . 1 1 15 15 TRP CE3 C 13 121.088 0.300 . 1 . . . . 15 TRP CE3 . 10211 1 105 . 1 1 15 15 TRP HE3 H 1 7.596 0.030 . 1 . . . . 15 TRP HE3 . 10211 1 106 . 1 1 15 15 TRP CZ2 C 13 114.174 0.300 . 1 . . . . 15 TRP CZ2 . 10211 1 107 . 1 1 15 15 TRP HZ2 H 1 7.199 0.030 . 1 . . . . 15 TRP HZ2 . 10211 1 108 . 1 1 15 15 TRP CZ3 C 13 121.887 0.300 . 1 . . . . 15 TRP CZ3 . 10211 1 109 . 1 1 15 15 TRP HZ3 H 1 6.944 0.030 . 1 . . . . 15 TRP HZ3 . 10211 1 110 . 1 1 15 15 TRP CH2 C 13 124.129 0.300 . 1 . . . . 15 TRP CH2 . 10211 1 111 . 1 1 15 15 TRP HH2 H 1 6.993 0.030 . 1 . . . . 15 TRP HH2 . 10211 1 112 . 1 1 15 15 TRP C C 13 176.093 0.300 . 1 . . . . 15 TRP C . 10211 1 113 . 1 1 16 16 GLU N N 15 124.270 0.300 . 1 . . . . 16 GLU N . 10211 1 114 . 1 1 16 16 GLU H H 1 8.901 0.030 . 1 . . . . 16 GLU H . 10211 1 115 . 1 1 16 16 GLU CA C 13 54.729 0.300 . 1 . . . . 16 GLU CA . 10211 1 116 . 1 1 16 16 GLU HA H 1 4.471 0.030 . 1 . . . . 16 GLU HA . 10211 1 117 . 1 1 16 16 GLU CB C 13 29.173 0.300 . 1 . . . . 16 GLU CB . 10211 1 118 . 1 1 16 16 GLU HB2 H 1 2.259 0.030 . 2 . . . . 16 GLU HB2 . 10211 1 119 . 1 1 16 16 GLU HB3 H 1 1.791 0.030 . 2 . . . . 16 GLU HB3 . 10211 1 120 . 1 1 16 16 GLU CG C 13 36.128 0.300 . 1 . . . . 16 GLU CG . 10211 1 121 . 1 1 16 16 GLU HG2 H 1 2.361 0.030 . 2 . . . . 16 GLU HG2 . 10211 1 122 . 1 1 16 16 GLU HG3 H 1 2.289 0.030 . 2 . . . . 16 GLU HG3 . 10211 1 123 . 1 1 16 16 GLU C C 13 175.525 0.300 . 1 . . . . 16 GLU C . 10211 1 124 . 1 1 17 17 PRO CA C 13 64.535 0.300 . 1 . . . . 17 PRO CA . 10211 1 125 . 1 1 17 17 PRO HA H 1 4.306 0.030 . 1 . . . . 17 PRO HA . 10211 1 126 . 1 1 17 17 PRO CB C 13 32.105 0.300 . 1 . . . . 17 PRO CB . 10211 1 127 . 1 1 17 17 PRO HB2 H 1 1.915 0.030 . 2 . . . . 17 PRO HB2 . 10211 1 128 . 1 1 17 17 PRO HB3 H 1 2.297 0.030 . 2 . . . . 17 PRO HB3 . 10211 1 129 . 1 1 17 17 PRO CG C 13 27.484 0.300 . 1 . . . . 17 PRO CG . 10211 1 130 . 1 1 17 17 PRO HG2 H 1 2.043 0.030 . 2 . . . . 17 PRO HG2 . 10211 1 131 . 1 1 17 17 PRO HG3 H 1 1.925 0.030 . 2 . . . . 17 PRO HG3 . 10211 1 132 . 1 1 17 17 PRO CD C 13 50.551 0.300 . 1 . . . . 17 PRO CD . 10211 1 133 . 1 1 17 17 PRO HD2 H 1 3.761 0.030 . 2 . . . . 17 PRO HD2 . 10211 1 134 . 1 1 17 17 PRO HD3 H 1 3.638 0.030 . 2 . . . . 17 PRO HD3 . 10211 1 135 . 1 1 17 17 PRO C C 13 177.261 0.300 . 1 . . . . 17 PRO C . 10211 1 136 . 1 1 18 18 GLU N N 15 116.089 0.300 . 1 . . . . 18 GLU N . 10211 1 137 . 1 1 18 18 GLU H H 1 8.459 0.030 . 1 . . . . 18 GLU H . 10211 1 138 . 1 1 18 18 GLU CA C 13 57.215 0.300 . 1 . . . . 18 GLU CA . 10211 1 139 . 1 1 18 18 GLU HA H 1 4.203 0.030 . 1 . . . . 18 GLU HA . 10211 1 140 . 1 1 18 18 GLU CB C 13 29.321 0.300 . 1 . . . . 18 GLU CB . 10211 1 141 . 1 1 18 18 GLU HB2 H 1 2.084 0.030 . 2 . . . . 18 GLU HB2 . 10211 1 142 . 1 1 18 18 GLU HB3 H 1 1.951 0.030 . 2 . . . . 18 GLU HB3 . 10211 1 143 . 1 1 18 18 GLU CG C 13 36.566 0.300 . 1 . . . . 18 GLU CG . 10211 1 144 . 1 1 18 18 GLU HG2 H 1 2.247 0.030 . 1 . . . . 18 GLU HG2 . 10211 1 145 . 1 1 18 18 GLU HG3 H 1 2.247 0.030 . 1 . . . . 18 GLU HG3 . 10211 1 146 . 1 1 18 18 GLU C C 13 176.941 0.300 . 1 . . . . 18 GLU C . 10211 1 147 . 1 1 19 19 GLU N N 15 120.173 0.300 . 1 . . . . 19 GLU N . 10211 1 148 . 1 1 19 19 GLU H H 1 7.861 0.030 . 1 . . . . 19 GLU H . 10211 1 149 . 1 1 19 19 GLU CA C 13 56.170 0.300 . 1 . . . . 19 GLU CA . 10211 1 150 . 1 1 19 19 GLU HA H 1 4.257 0.030 . 1 . . . . 19 GLU HA . 10211 1 151 . 1 1 19 19 GLU CB C 13 30.012 0.300 . 1 . . . . 19 GLU CB . 10211 1 152 . 1 1 19 19 GLU HB2 H 1 1.989 0.030 . 1 . . . . 19 GLU HB2 . 10211 1 153 . 1 1 19 19 GLU HB3 H 1 1.989 0.030 . 1 . . . . 19 GLU HB3 . 10211 1 154 . 1 1 19 19 GLU CG C 13 36.621 0.300 . 1 . . . . 19 GLU CG . 10211 1 155 . 1 1 19 19 GLU HG2 H 1 2.287 0.030 . 1 . . . . 19 GLU HG2 . 10211 1 156 . 1 1 19 19 GLU HG3 H 1 2.287 0.030 . 1 . . . . 19 GLU HG3 . 10211 1 157 . 1 1 19 19 GLU C C 13 176.182 0.300 . 1 . . . . 19 GLU C . 10211 1 158 . 1 1 20 20 THR N N 15 120.847 0.300 . 1 . . . . 20 THR N . 10211 1 159 . 1 1 20 20 THR H H 1 9.010 0.030 . 1 . . . . 20 THR H . 10211 1 160 . 1 1 20 20 THR CA C 13 63.200 0.300 . 1 . . . . 20 THR CA . 10211 1 161 . 1 1 20 20 THR HA H 1 4.188 0.030 . 1 . . . . 20 THR HA . 10211 1 162 . 1 1 20 20 THR CB C 13 69.394 0.300 . 1 . . . . 20 THR CB . 10211 1 163 . 1 1 20 20 THR HB H 1 3.997 0.030 . 1 . . . . 20 THR HB . 10211 1 164 . 1 1 20 20 THR CG2 C 13 21.810 0.300 . 1 . . . . 20 THR CG2 . 10211 1 165 . 1 1 20 20 THR HG21 H 1 1.093 0.030 . 1 . . . . 20 THR HG2 . 10211 1 166 . 1 1 20 20 THR HG22 H 1 1.093 0.030 . 1 . . . . 20 THR HG2 . 10211 1 167 . 1 1 20 20 THR HG23 H 1 1.093 0.030 . 1 . . . . 20 THR HG2 . 10211 1 168 . 1 1 20 20 THR C C 13 172.501 0.300 . 1 . . . . 20 THR C . 10211 1 169 . 1 1 21 21 VAL N N 15 128.753 0.300 . 1 . . . . 21 VAL N . 10211 1 170 . 1 1 21 21 VAL H H 1 8.497 0.030 . 1 . . . . 21 VAL H . 10211 1 171 . 1 1 21 21 VAL CA C 13 61.422 0.300 . 1 . . . . 21 VAL CA . 10211 1 172 . 1 1 21 21 VAL HA H 1 4.546 0.030 . 1 . . . . 21 VAL HA . 10211 1 173 . 1 1 21 21 VAL CB C 13 33.236 0.300 . 1 . . . . 21 VAL CB . 10211 1 174 . 1 1 21 21 VAL HB H 1 1.819 0.030 . 1 . . . . 21 VAL HB . 10211 1 175 . 1 1 21 21 VAL CG1 C 13 22.023 0.300 . 2 . . . . 21 VAL CG1 . 10211 1 176 . 1 1 21 21 VAL HG11 H 1 0.825 0.030 . 1 . . . . 21 VAL HG1 . 10211 1 177 . 1 1 21 21 VAL HG12 H 1 0.825 0.030 . 1 . . . . 21 VAL HG1 . 10211 1 178 . 1 1 21 21 VAL HG13 H 1 0.825 0.030 . 1 . . . . 21 VAL HG1 . 10211 1 179 . 1 1 21 21 VAL CG2 C 13 21.775 0.300 . 2 . . . . 21 VAL CG2 . 10211 1 180 . 1 1 21 21 VAL HG21 H 1 0.682 0.030 . 1 . . . . 21 VAL HG2 . 10211 1 181 . 1 1 21 21 VAL HG22 H 1 0.682 0.030 . 1 . . . . 21 VAL HG2 . 10211 1 182 . 1 1 21 21 VAL HG23 H 1 0.682 0.030 . 1 . . . . 21 VAL HG2 . 10211 1 183 . 1 1 21 21 VAL C C 13 175.700 0.300 . 1 . . . . 21 VAL C . 10211 1 184 . 1 1 22 22 VAL N N 15 119.061 0.300 . 1 . . . . 22 VAL N . 10211 1 185 . 1 1 22 22 VAL H H 1 9.159 0.030 . 1 . . . . 22 VAL H . 10211 1 186 . 1 1 22 22 VAL CA C 13 57.799 0.300 . 1 . . . . 22 VAL CA . 10211 1 187 . 1 1 22 22 VAL HA H 1 5.187 0.030 . 1 . . . . 22 VAL HA . 10211 1 188 . 1 1 22 22 VAL CB C 13 35.307 0.300 . 1 . . . . 22 VAL CB . 10211 1 189 . 1 1 22 22 VAL HB H 1 2.122 0.030 . 1 . . . . 22 VAL HB . 10211 1 190 . 1 1 22 22 VAL CG1 C 13 22.732 0.300 . 2 . . . . 22 VAL CG1 . 10211 1 191 . 1 1 22 22 VAL HG11 H 1 0.884 0.030 . 1 . . . . 22 VAL HG1 . 10211 1 192 . 1 1 22 22 VAL HG12 H 1 0.884 0.030 . 1 . . . . 22 VAL HG1 . 10211 1 193 . 1 1 22 22 VAL HG13 H 1 0.884 0.030 . 1 . . . . 22 VAL HG1 . 10211 1 194 . 1 1 22 22 VAL CG2 C 13 20.215 0.300 . 2 . . . . 22 VAL CG2 . 10211 1 195 . 1 1 22 22 VAL HG21 H 1 0.863 0.030 . 1 . . . . 22 VAL HG2 . 10211 1 196 . 1 1 22 22 VAL HG22 H 1 0.863 0.030 . 1 . . . . 22 VAL HG2 . 10211 1 197 . 1 1 22 22 VAL HG23 H 1 0.863 0.030 . 1 . . . . 22 VAL HG2 . 10211 1 198 . 1 1 22 22 VAL C C 13 173.461 0.300 . 1 . . . . 22 VAL C . 10211 1 199 . 1 1 23 23 ILE N N 15 120.660 0.300 . 1 . . . . 23 ILE N . 10211 1 200 . 1 1 23 23 ILE H H 1 9.354 0.030 . 1 . . . . 23 ILE H . 10211 1 201 . 1 1 23 23 ILE CA C 13 58.793 0.300 . 1 . . . . 23 ILE CA . 10211 1 202 . 1 1 23 23 ILE HA H 1 5.082 0.030 . 1 . . . . 23 ILE HA . 10211 1 203 . 1 1 23 23 ILE CB C 13 41.289 0.300 . 1 . . . . 23 ILE CB . 10211 1 204 . 1 1 23 23 ILE HB H 1 1.556 0.030 . 1 . . . . 23 ILE HB . 10211 1 205 . 1 1 23 23 ILE CG1 C 13 28.445 0.300 . 1 . . . . 23 ILE CG1 . 10211 1 206 . 1 1 23 23 ILE HG12 H 1 1.425 0.030 . 2 . . . . 23 ILE HG12 . 10211 1 207 . 1 1 23 23 ILE HG13 H 1 1.027 0.030 . 2 . . . . 23 ILE HG13 . 10211 1 208 . 1 1 23 23 ILE CG2 C 13 17.712 0.300 . 1 . . . . 23 ILE CG2 . 10211 1 209 . 1 1 23 23 ILE HG21 H 1 0.802 0.030 . 1 . . . . 23 ILE HG2 . 10211 1 210 . 1 1 23 23 ILE HG22 H 1 0.802 0.030 . 1 . . . . 23 ILE HG2 . 10211 1 211 . 1 1 23 23 ILE HG23 H 1 0.802 0.030 . 1 . . . . 23 ILE HG2 . 10211 1 212 . 1 1 23 23 ILE CD1 C 13 13.959 0.300 . 1 . . . . 23 ILE CD1 . 10211 1 213 . 1 1 23 23 ILE HD11 H 1 0.801 0.030 . 1 . . . . 23 ILE HD1 . 10211 1 214 . 1 1 23 23 ILE HD12 H 1 0.801 0.030 . 1 . . . . 23 ILE HD1 . 10211 1 215 . 1 1 23 23 ILE HD13 H 1 0.801 0.030 . 1 . . . . 23 ILE HD1 . 10211 1 216 . 1 1 23 23 ILE C C 13 176.270 0.300 . 1 . . . . 23 ILE C . 10211 1 217 . 1 1 24 24 ALA N N 15 125.421 0.300 . 1 . . . . 24 ALA N . 10211 1 218 . 1 1 24 24 ALA H H 1 8.184 0.030 . 1 . . . . 24 ALA H . 10211 1 219 . 1 1 24 24 ALA CA C 13 51.461 0.300 . 1 . . . . 24 ALA CA . 10211 1 220 . 1 1 24 24 ALA HA H 1 4.982 0.030 . 1 . . . . 24 ALA HA . 10211 1 221 . 1 1 24 24 ALA CB C 13 20.231 0.300 . 1 . . . . 24 ALA CB . 10211 1 222 . 1 1 24 24 ALA HB1 H 1 1.700 0.030 . 1 . . . . 24 ALA HB . 10211 1 223 . 1 1 24 24 ALA HB2 H 1 1.700 0.030 . 1 . . . . 24 ALA HB . 10211 1 224 . 1 1 24 24 ALA HB3 H 1 1.700 0.030 . 1 . . . . 24 ALA HB . 10211 1 225 . 1 1 24 24 ALA C C 13 178.664 0.300 . 1 . . . . 24 ALA C . 10211 1 226 . 1 1 25 25 LEU N N 15 126.185 0.300 . 1 . . . . 25 LEU N . 10211 1 227 . 1 1 25 25 LEU H H 1 9.388 0.030 . 1 . . . . 25 LEU H . 10211 1 228 . 1 1 25 25 LEU CA C 13 55.799 0.300 . 1 . . . . 25 LEU CA . 10211 1 229 . 1 1 25 25 LEU HA H 1 3.875 0.030 . 1 . . . . 25 LEU HA . 10211 1 230 . 1 1 25 25 LEU CB C 13 43.786 0.300 . 1 . . . . 25 LEU CB . 10211 1 231 . 1 1 25 25 LEU HB2 H 1 0.419 0.030 . 2 . . . . 25 LEU HB2 . 10211 1 232 . 1 1 25 25 LEU HB3 H 1 0.833 0.030 . 2 . . . . 25 LEU HB3 . 10211 1 233 . 1 1 25 25 LEU CG C 13 26.674 0.300 . 1 . . . . 25 LEU CG . 10211 1 234 . 1 1 25 25 LEU HG H 1 1.170 0.030 . 1 . . . . 25 LEU HG . 10211 1 235 . 1 1 25 25 LEU CD1 C 13 25.231 0.300 . 2 . . . . 25 LEU CD1 . 10211 1 236 . 1 1 25 25 LEU HD11 H 1 0.632 0.030 . 1 . . . . 25 LEU HD1 . 10211 1 237 . 1 1 25 25 LEU HD12 H 1 0.632 0.030 . 1 . . . . 25 LEU HD1 . 10211 1 238 . 1 1 25 25 LEU HD13 H 1 0.632 0.030 . 1 . . . . 25 LEU HD1 . 10211 1 239 . 1 1 25 25 LEU CD2 C 13 22.708 0.300 . 2 . . . . 25 LEU CD2 . 10211 1 240 . 1 1 25 25 LEU HD21 H 1 0.601 0.030 . 1 . . . . 25 LEU HD2 . 10211 1 241 . 1 1 25 25 LEU HD22 H 1 0.601 0.030 . 1 . . . . 25 LEU HD2 . 10211 1 242 . 1 1 25 25 LEU HD23 H 1 0.601 0.030 . 1 . . . . 25 LEU HD2 . 10211 1 243 . 1 1 25 25 LEU C C 13 175.686 0.300 . 1 . . . . 25 LEU C . 10211 1 244 . 1 1 26 26 TYR N N 15 110.488 0.300 . 1 . . . . 26 TYR N . 10211 1 245 . 1 1 26 26 TYR H H 1 6.878 0.030 . 1 . . . . 26 TYR H . 10211 1 246 . 1 1 26 26 TYR CA C 13 53.575 0.300 . 1 . . . . 26 TYR CA . 10211 1 247 . 1 1 26 26 TYR HA H 1 4.744 0.030 . 1 . . . . 26 TYR HA . 10211 1 248 . 1 1 26 26 TYR CB C 13 42.393 0.300 . 1 . . . . 26 TYR CB . 10211 1 249 . 1 1 26 26 TYR HB2 H 1 3.193 0.030 . 2 . . . . 26 TYR HB2 . 10211 1 250 . 1 1 26 26 TYR HB3 H 1 2.304 0.030 . 2 . . . . 26 TYR HB3 . 10211 1 251 . 1 1 26 26 TYR CD1 C 13 133.880 0.300 . 1 . . . . 26 TYR CD1 . 10211 1 252 . 1 1 26 26 TYR HD1 H 1 6.486 0.030 . 1 . . . . 26 TYR HD1 . 10211 1 253 . 1 1 26 26 TYR CD2 C 13 133.880 0.300 . 1 . . . . 26 TYR CD2 . 10211 1 254 . 1 1 26 26 TYR HD2 H 1 6.486 0.030 . 1 . . . . 26 TYR HD2 . 10211 1 255 . 1 1 26 26 TYR CE1 C 13 117.497 0.300 . 1 . . . . 26 TYR CE1 . 10211 1 256 . 1 1 26 26 TYR HE1 H 1 6.550 0.030 . 1 . . . . 26 TYR HE1 . 10211 1 257 . 1 1 26 26 TYR CE2 C 13 117.497 0.300 . 1 . . . . 26 TYR CE2 . 10211 1 258 . 1 1 26 26 TYR HE2 H 1 6.550 0.030 . 1 . . . . 26 TYR HE2 . 10211 1 259 . 1 1 26 26 TYR C C 13 173.800 0.300 . 1 . . . . 26 TYR C . 10211 1 260 . 1 1 27 27 ASP N N 15 117.327 0.300 . 1 . . . . 27 ASP N . 10211 1 261 . 1 1 27 27 ASP H H 1 8.278 0.030 . 1 . . . . 27 ASP H . 10211 1 262 . 1 1 27 27 ASP CA C 13 54.522 0.300 . 1 . . . . 27 ASP CA . 10211 1 263 . 1 1 27 27 ASP HA H 1 4.639 0.030 . 1 . . . . 27 ASP HA . 10211 1 264 . 1 1 27 27 ASP CB C 13 41.944 0.300 . 1 . . . . 27 ASP CB . 10211 1 265 . 1 1 27 27 ASP HB2 H 1 2.723 0.030 . 2 . . . . 27 ASP HB2 . 10211 1 266 . 1 1 27 27 ASP HB3 H 1 2.578 0.030 . 2 . . . . 27 ASP HB3 . 10211 1 267 . 1 1 27 27 ASP C C 13 176.000 0.300 . 1 . . . . 27 ASP C . 10211 1 268 . 1 1 28 28 TYR N N 15 121.747 0.300 . 1 . . . . 28 TYR N . 10211 1 269 . 1 1 28 28 TYR H H 1 8.724 0.030 . 1 . . . . 28 TYR H . 10211 1 270 . 1 1 28 28 TYR CA C 13 57.938 0.300 . 1 . . . . 28 TYR CA . 10211 1 271 . 1 1 28 28 TYR HA H 1 4.934 0.030 . 1 . . . . 28 TYR HA . 10211 1 272 . 1 1 28 28 TYR CB C 13 42.161 0.300 . 1 . . . . 28 TYR CB . 10211 1 273 . 1 1 28 28 TYR HB2 H 1 2.972 0.030 . 2 . . . . 28 TYR HB2 . 10211 1 274 . 1 1 28 28 TYR HB3 H 1 2.679 0.030 . 2 . . . . 28 TYR HB3 . 10211 1 275 . 1 1 28 28 TYR CD1 C 13 132.980 0.300 . 1 . . . . 28 TYR CD1 . 10211 1 276 . 1 1 28 28 TYR HD1 H 1 7.159 0.030 . 1 . . . . 28 TYR HD1 . 10211 1 277 . 1 1 28 28 TYR CD2 C 13 132.980 0.300 . 1 . . . . 28 TYR CD2 . 10211 1 278 . 1 1 28 28 TYR HD2 H 1 7.159 0.030 . 1 . . . . 28 TYR HD2 . 10211 1 279 . 1 1 28 28 TYR CE1 C 13 117.788 0.300 . 1 . . . . 28 TYR CE1 . 10211 1 280 . 1 1 28 28 TYR HE1 H 1 6.820 0.030 . 1 . . . . 28 TYR HE1 . 10211 1 281 . 1 1 28 28 TYR CE2 C 13 117.788 0.300 . 1 . . . . 28 TYR CE2 . 10211 1 282 . 1 1 28 28 TYR HE2 H 1 6.820 0.030 . 1 . . . . 28 TYR HE2 . 10211 1 283 . 1 1 28 28 TYR C C 13 173.834 0.300 . 1 . . . . 28 TYR C . 10211 1 284 . 1 1 29 29 GLN N N 15 126.180 0.300 . 1 . . . . 29 GLN N . 10211 1 285 . 1 1 29 29 GLN H H 1 7.959 0.030 . 1 . . . . 29 GLN H . 10211 1 286 . 1 1 29 29 GLN CA C 13 54.153 0.300 . 1 . . . . 29 GLN CA . 10211 1 287 . 1 1 29 29 GLN HA H 1 4.507 0.030 . 1 . . . . 29 GLN HA . 10211 1 288 . 1 1 29 29 GLN CB C 13 29.854 0.300 . 1 . . . . 29 GLN CB . 10211 1 289 . 1 1 29 29 GLN HB2 H 1 1.877 0.030 . 2 . . . . 29 GLN HB2 . 10211 1 290 . 1 1 29 29 GLN HB3 H 1 1.800 0.030 . 2 . . . . 29 GLN HB3 . 10211 1 291 . 1 1 29 29 GLN CG C 13 33.555 0.300 . 1 . . . . 29 GLN CG . 10211 1 292 . 1 1 29 29 GLN HG2 H 1 2.270 0.030 . 1 . . . . 29 GLN HG2 . 10211 1 293 . 1 1 29 29 GLN HG3 H 1 2.270 0.030 . 1 . . . . 29 GLN HG3 . 10211 1 294 . 1 1 29 29 GLN NE2 N 15 112.011 0.300 . 1 . . . . 29 GLN NE2 . 10211 1 295 . 1 1 29 29 GLN HE21 H 1 7.532 0.030 . 2 . . . . 29 GLN HE21 . 10211 1 296 . 1 1 29 29 GLN HE22 H 1 6.771 0.030 . 2 . . . . 29 GLN HE22 . 10211 1 297 . 1 1 29 29 GLN C C 13 173.966 0.300 . 1 . . . . 29 GLN C . 10211 1 298 . 1 1 30 30 THR N N 15 115.009 0.300 . 1 . . . . 30 THR N . 10211 1 299 . 1 1 30 30 THR H H 1 7.982 0.030 . 1 . . . . 30 THR H . 10211 1 300 . 1 1 30 30 THR CA C 13 59.769 0.300 . 1 . . . . 30 THR CA . 10211 1 301 . 1 1 30 30 THR HA H 1 4.319 0.030 . 1 . . . . 30 THR HA . 10211 1 302 . 1 1 30 30 THR CB C 13 69.002 0.300 . 1 . . . . 30 THR CB . 10211 1 303 . 1 1 30 30 THR HB H 1 4.001 0.030 . 1 . . . . 30 THR HB . 10211 1 304 . 1 1 30 30 THR CG2 C 13 19.916 0.300 . 1 . . . . 30 THR CG2 . 10211 1 305 . 1 1 30 30 THR HG21 H 1 0.948 0.030 . 1 . . . . 30 THR HG2 . 10211 1 306 . 1 1 30 30 THR HG22 H 1 0.948 0.030 . 1 . . . . 30 THR HG2 . 10211 1 307 . 1 1 30 30 THR HG23 H 1 0.948 0.030 . 1 . . . . 30 THR HG2 . 10211 1 308 . 1 1 30 30 THR C C 13 172.388 0.300 . 1 . . . . 30 THR C . 10211 1 309 . 1 1 31 31 ASN N N 15 121.715 0.300 . 1 . . . . 31 ASN N . 10211 1 310 . 1 1 31 31 ASN H H 1 8.702 0.030 . 1 . . . . 31 ASN H . 10211 1 311 . 1 1 31 31 ASN CA C 13 52.449 0.300 . 1 . . . . 31 ASN CA . 10211 1 312 . 1 1 31 31 ASN HA H 1 4.787 0.030 . 1 . . . . 31 ASN HA . 10211 1 313 . 1 1 31 31 ASN CB C 13 39.822 0.300 . 1 . . . . 31 ASN CB . 10211 1 314 . 1 1 31 31 ASN HB2 H 1 2.639 0.030 . 2 . . . . 31 ASN HB2 . 10211 1 315 . 1 1 31 31 ASN HB3 H 1 2.871 0.030 . 2 . . . . 31 ASN HB3 . 10211 1 316 . 1 1 31 31 ASN ND2 N 15 113.122 0.300 . 1 . . . . 31 ASN ND2 . 10211 1 317 . 1 1 31 31 ASN HD21 H 1 7.581 0.030 . 2 . . . . 31 ASN HD21 . 10211 1 318 . 1 1 31 31 ASN HD22 H 1 6.842 0.030 . 2 . . . . 31 ASN HD22 . 10211 1 319 . 1 1 31 31 ASN C C 13 174.579 0.300 . 1 . . . . 31 ASN C . 10211 1 320 . 1 1 32 32 ASP N N 15 124.854 0.300 . 1 . . . . 32 ASP N . 10211 1 321 . 1 1 32 32 ASP H H 1 8.333 0.030 . 1 . . . . 32 ASP H . 10211 1 322 . 1 1 32 32 ASP CA C 13 51.996 0.300 . 1 . . . . 32 ASP CA . 10211 1 323 . 1 1 32 32 ASP HA H 1 4.827 0.030 . 1 . . . . 32 ASP HA . 10211 1 324 . 1 1 32 32 ASP CB C 13 43.075 0.300 . 1 . . . . 32 ASP CB . 10211 1 325 . 1 1 32 32 ASP HB2 H 1 2.543 0.030 . 2 . . . . 32 ASP HB2 . 10211 1 326 . 1 1 32 32 ASP HB3 H 1 2.415 0.030 . 2 . . . . 32 ASP HB3 . 10211 1 327 . 1 1 32 32 ASP C C 13 176.135 0.300 . 1 . . . . 32 ASP C . 10211 1 328 . 1 1 33 33 PRO CA C 13 64.451 0.300 . 1 . . . . 33 PRO CA . 10211 1 329 . 1 1 33 33 PRO HA H 1 4.490 0.030 . 1 . . . . 33 PRO HA . 10211 1 330 . 1 1 33 33 PRO CB C 13 32.425 0.300 . 1 . . . . 33 PRO CB . 10211 1 331 . 1 1 33 33 PRO HB2 H 1 2.038 0.030 . 2 . . . . 33 PRO HB2 . 10211 1 332 . 1 1 33 33 PRO HB3 H 1 2.395 0.030 . 2 . . . . 33 PRO HB3 . 10211 1 333 . 1 1 33 33 PRO CG C 13 27.209 0.300 . 1 . . . . 33 PRO CG . 10211 1 334 . 1 1 33 33 PRO HG2 H 1 2.027 0.030 . 1 . . . . 33 PRO HG2 . 10211 1 335 . 1 1 33 33 PRO HG3 H 1 2.027 0.030 . 1 . . . . 33 PRO HG3 . 10211 1 336 . 1 1 33 33 PRO CD C 13 51.357 0.300 . 1 . . . . 33 PRO CD . 10211 1 337 . 1 1 33 33 PRO HD2 H 1 3.946 0.030 . 2 . . . . 33 PRO HD2 . 10211 1 338 . 1 1 33 33 PRO HD3 H 1 3.803 0.030 . 2 . . . . 33 PRO HD3 . 10211 1 339 . 1 1 33 33 PRO C C 13 177.612 0.300 . 1 . . . . 33 PRO C . 10211 1 340 . 1 1 34 34 GLN N N 15 116.032 0.300 . 1 . . . . 34 GLN N . 10211 1 341 . 1 1 34 34 GLN H H 1 8.906 0.030 . 1 . . . . 34 GLN H . 10211 1 342 . 1 1 34 34 GLN CA C 13 56.080 0.300 . 1 . . . . 34 GLN CA . 10211 1 343 . 1 1 34 34 GLN HA H 1 4.559 0.030 . 1 . . . . 34 GLN HA . 10211 1 344 . 1 1 34 34 GLN CB C 13 29.488 0.300 . 1 . . . . 34 GLN CB . 10211 1 345 . 1 1 34 34 GLN HB2 H 1 2.115 0.030 . 2 . . . . 34 GLN HB2 . 10211 1 346 . 1 1 34 34 GLN HB3 H 1 2.304 0.030 . 2 . . . . 34 GLN HB3 . 10211 1 347 . 1 1 34 34 GLN CG C 13 34.646 0.300 . 1 . . . . 34 GLN CG . 10211 1 348 . 1 1 34 34 GLN HG2 H 1 2.397 0.030 . 1 . . . . 34 GLN HG2 . 10211 1 349 . 1 1 34 34 GLN HG3 H 1 2.397 0.030 . 1 . . . . 34 GLN HG3 . 10211 1 350 . 1 1 34 34 GLN NE2 N 15 112.457 0.300 . 1 . . . . 34 GLN NE2 . 10211 1 351 . 1 1 34 34 GLN HE21 H 1 7.693 0.030 . 2 . . . . 34 GLN HE21 . 10211 1 352 . 1 1 34 34 GLN HE22 H 1 6.781 0.030 . 2 . . . . 34 GLN HE22 . 10211 1 353 . 1 1 34 34 GLN C C 13 176.811 0.300 . 1 . . . . 34 GLN C . 10211 1 354 . 1 1 35 35 GLU N N 15 120.585 0.300 . 1 . . . . 35 GLU N . 10211 1 355 . 1 1 35 35 GLU H H 1 7.905 0.030 . 1 . . . . 35 GLU H . 10211 1 356 . 1 1 35 35 GLU CA C 13 55.147 0.300 . 1 . . . . 35 GLU CA . 10211 1 357 . 1 1 35 35 GLU HA H 1 5.370 0.030 . 1 . . . . 35 GLU HA . 10211 1 358 . 1 1 35 35 GLU CB C 13 33.394 0.300 . 1 . . . . 35 GLU CB . 10211 1 359 . 1 1 35 35 GLU HB2 H 1 2.423 0.030 . 2 . . . . 35 GLU HB2 . 10211 1 360 . 1 1 35 35 GLU HB3 H 1 2.246 0.030 . 2 . . . . 35 GLU HB3 . 10211 1 361 . 1 1 35 35 GLU CG C 13 36.624 0.300 . 1 . . . . 35 GLU CG . 10211 1 362 . 1 1 35 35 GLU HG2 H 1 2.270 0.030 . 2 . . . . 35 GLU HG2 . 10211 1 363 . 1 1 35 35 GLU HG3 H 1 2.162 0.030 . 2 . . . . 35 GLU HG3 . 10211 1 364 . 1 1 35 35 GLU C C 13 174.508 0.300 . 1 . . . . 35 GLU C . 10211 1 365 . 1 1 36 36 LEU N N 15 122.127 0.300 . 1 . . . . 36 LEU N . 10211 1 366 . 1 1 36 36 LEU H H 1 7.553 0.030 . 1 . . . . 36 LEU H . 10211 1 367 . 1 1 36 36 LEU CA C 13 53.375 0.300 . 1 . . . . 36 LEU CA . 10211 1 368 . 1 1 36 36 LEU HA H 1 4.415 0.030 . 1 . . . . 36 LEU HA . 10211 1 369 . 1 1 36 36 LEU CB C 13 45.685 0.300 . 1 . . . . 36 LEU CB . 10211 1 370 . 1 1 36 36 LEU HB2 H 1 1.333 0.030 . 2 . . . . 36 LEU HB2 . 10211 1 371 . 1 1 36 36 LEU HB3 H 1 0.677 0.030 . 2 . . . . 36 LEU HB3 . 10211 1 372 . 1 1 36 36 LEU CG C 13 26.403 0.300 . 1 . . . . 36 LEU CG . 10211 1 373 . 1 1 36 36 LEU HG H 1 1.813 0.030 . 1 . . . . 36 LEU HG . 10211 1 374 . 1 1 36 36 LEU CD1 C 13 26.714 0.300 . 2 . . . . 36 LEU CD1 . 10211 1 375 . 1 1 36 36 LEU HD11 H 1 0.721 0.030 . 1 . . . . 36 LEU HD1 . 10211 1 376 . 1 1 36 36 LEU HD12 H 1 0.721 0.030 . 1 . . . . 36 LEU HD1 . 10211 1 377 . 1 1 36 36 LEU HD13 H 1 0.721 0.030 . 1 . . . . 36 LEU HD1 . 10211 1 378 . 1 1 36 36 LEU CD2 C 13 24.734 0.300 . 2 . . . . 36 LEU CD2 . 10211 1 379 . 1 1 36 36 LEU HD21 H 1 0.812 0.030 . 1 . . . . 36 LEU HD2 . 10211 1 380 . 1 1 36 36 LEU HD22 H 1 0.812 0.030 . 1 . . . . 36 LEU HD2 . 10211 1 381 . 1 1 36 36 LEU HD23 H 1 0.812 0.030 . 1 . . . . 36 LEU HD2 . 10211 1 382 . 1 1 36 36 LEU C C 13 173.533 0.300 . 1 . . . . 36 LEU C . 10211 1 383 . 1 1 37 37 ALA N N 15 124.419 0.300 . 1 . . . . 37 ALA N . 10211 1 384 . 1 1 37 37 ALA H H 1 7.813 0.030 . 1 . . . . 37 ALA H . 10211 1 385 . 1 1 37 37 ALA CA C 13 51.854 0.300 . 1 . . . . 37 ALA CA . 10211 1 386 . 1 1 37 37 ALA HA H 1 4.581 0.030 . 1 . . . . 37 ALA HA . 10211 1 387 . 1 1 37 37 ALA CB C 13 19.371 0.300 . 1 . . . . 37 ALA CB . 10211 1 388 . 1 1 37 37 ALA HB1 H 1 1.447 0.030 . 1 . . . . 37 ALA HB . 10211 1 389 . 1 1 37 37 ALA HB2 H 1 1.447 0.030 . 1 . . . . 37 ALA HB . 10211 1 390 . 1 1 37 37 ALA HB3 H 1 1.447 0.030 . 1 . . . . 37 ALA HB . 10211 1 391 . 1 1 37 37 ALA C C 13 177.822 0.300 . 1 . . . . 37 ALA C . 10211 1 392 . 1 1 38 38 LEU N N 15 116.787 0.300 . 1 . . . . 38 LEU N . 10211 1 393 . 1 1 38 38 LEU H H 1 8.656 0.030 . 1 . . . . 38 LEU H . 10211 1 394 . 1 1 38 38 LEU CA C 13 52.952 0.300 . 1 . . . . 38 LEU CA . 10211 1 395 . 1 1 38 38 LEU HA H 1 5.026 0.030 . 1 . . . . 38 LEU HA . 10211 1 396 . 1 1 38 38 LEU CB C 13 45.223 0.300 . 1 . . . . 38 LEU CB . 10211 1 397 . 1 1 38 38 LEU HB2 H 1 2.043 0.030 . 2 . . . . 38 LEU HB2 . 10211 1 398 . 1 1 38 38 LEU HB3 H 1 1.286 0.030 . 2 . . . . 38 LEU HB3 . 10211 1 399 . 1 1 38 38 LEU CG C 13 25.746 0.300 . 1 . . . . 38 LEU CG . 10211 1 400 . 1 1 38 38 LEU HG H 1 1.668 0.030 . 1 . . . . 38 LEU HG . 10211 1 401 . 1 1 38 38 LEU CD1 C 13 25.769 0.300 . 2 . . . . 38 LEU CD1 . 10211 1 402 . 1 1 38 38 LEU HD11 H 1 0.685 0.030 . 1 . . . . 38 LEU HD1 . 10211 1 403 . 1 1 38 38 LEU HD12 H 1 0.685 0.030 . 1 . . . . 38 LEU HD1 . 10211 1 404 . 1 1 38 38 LEU HD13 H 1 0.685 0.030 . 1 . . . . 38 LEU HD1 . 10211 1 405 . 1 1 38 38 LEU CD2 C 13 22.182 0.300 . 2 . . . . 38 LEU CD2 . 10211 1 406 . 1 1 38 38 LEU HD21 H 1 0.104 0.030 . 1 . . . . 38 LEU HD2 . 10211 1 407 . 1 1 38 38 LEU HD22 H 1 0.104 0.030 . 1 . . . . 38 LEU HD2 . 10211 1 408 . 1 1 38 38 LEU HD23 H 1 0.104 0.030 . 1 . . . . 38 LEU HD2 . 10211 1 409 . 1 1 38 38 LEU C C 13 177.842 0.300 . 1 . . . . 38 LEU C . 10211 1 410 . 1 1 39 39 ARG N N 15 123.462 0.300 . 1 . . . . 39 ARG N . 10211 1 411 . 1 1 39 39 ARG H H 1 8.333 0.030 . 1 . . . . 39 ARG H . 10211 1 412 . 1 1 39 39 ARG CA C 13 53.731 0.300 . 1 . . . . 39 ARG CA . 10211 1 413 . 1 1 39 39 ARG HA H 1 4.977 0.030 . 1 . . . . 39 ARG HA . 10211 1 414 . 1 1 39 39 ARG CB C 13 32.431 0.300 . 1 . . . . 39 ARG CB . 10211 1 415 . 1 1 39 39 ARG HB2 H 1 1.831 0.030 . 2 . . . . 39 ARG HB2 . 10211 1 416 . 1 1 39 39 ARG HB3 H 1 1.702 0.030 . 2 . . . . 39 ARG HB3 . 10211 1 417 . 1 1 39 39 ARG CG C 13 27.385 0.300 . 1 . . . . 39 ARG CG . 10211 1 418 . 1 1 39 39 ARG HG2 H 1 1.696 0.030 . 2 . . . . 39 ARG HG2 . 10211 1 419 . 1 1 39 39 ARG HG3 H 1 1.641 0.030 . 2 . . . . 39 ARG HG3 . 10211 1 420 . 1 1 39 39 ARG CD C 13 43.280 0.300 . 1 . . . . 39 ARG CD . 10211 1 421 . 1 1 39 39 ARG HD2 H 1 3.282 0.030 . 1 . . . . 39 ARG HD2 . 10211 1 422 . 1 1 39 39 ARG HD3 H 1 3.282 0.030 . 1 . . . . 39 ARG HD3 . 10211 1 423 . 1 1 39 39 ARG C C 13 174.595 0.300 . 1 . . . . 39 ARG C . 10211 1 424 . 1 1 40 40 ARG N N 15 123.974 0.300 . 1 . . . . 40 ARG N . 10211 1 425 . 1 1 40 40 ARG H H 1 8.899 0.030 . 1 . . . . 40 ARG H . 10211 1 426 . 1 1 40 40 ARG CA C 13 58.302 0.300 . 1 . . . . 40 ARG CA . 10211 1 427 . 1 1 40 40 ARG HA H 1 3.350 0.030 . 1 . . . . 40 ARG HA . 10211 1 428 . 1 1 40 40 ARG CB C 13 30.480 0.300 . 1 . . . . 40 ARG CB . 10211 1 429 . 1 1 40 40 ARG HB2 H 1 1.651 0.030 . 2 . . . . 40 ARG HB2 . 10211 1 430 . 1 1 40 40 ARG HB3 H 1 1.522 0.030 . 2 . . . . 40 ARG HB3 . 10211 1 431 . 1 1 40 40 ARG CG C 13 26.714 0.300 . 1 . . . . 40 ARG CG . 10211 1 432 . 1 1 40 40 ARG HG2 H 1 1.412 0.030 . 2 . . . . 40 ARG HG2 . 10211 1 433 . 1 1 40 40 ARG HG3 H 1 1.385 0.030 . 2 . . . . 40 ARG HG3 . 10211 1 434 . 1 1 40 40 ARG CD C 13 43.834 0.300 . 1 . . . . 40 ARG CD . 10211 1 435 . 1 1 40 40 ARG HD2 H 1 3.254 0.030 . 2 . . . . 40 ARG HD2 . 10211 1 436 . 1 1 40 40 ARG HD3 H 1 3.194 0.030 . 2 . . . . 40 ARG HD3 . 10211 1 437 . 1 1 40 40 ARG C C 13 176.432 0.300 . 1 . . . . 40 ARG C . 10211 1 438 . 1 1 41 41 ASN N N 15 117.655 0.300 . 1 . . . . 41 ASN N . 10211 1 439 . 1 1 41 41 ASN H H 1 9.246 0.030 . 1 . . . . 41 ASN H . 10211 1 440 . 1 1 41 41 ASN CA C 13 55.859 0.300 . 1 . . . . 41 ASN CA . 10211 1 441 . 1 1 41 41 ASN HA H 1 4.227 0.030 . 1 . . . . 41 ASN HA . 10211 1 442 . 1 1 41 41 ASN CB C 13 37.555 0.300 . 1 . . . . 41 ASN CB . 10211 1 443 . 1 1 41 41 ASN HB2 H 1 3.000 0.030 . 2 . . . . 41 ASN HB2 . 10211 1 444 . 1 1 41 41 ASN HB3 H 1 3.307 0.030 . 2 . . . . 41 ASN HB3 . 10211 1 445 . 1 1 41 41 ASN ND2 N 15 112.454 0.300 . 1 . . . . 41 ASN ND2 . 10211 1 446 . 1 1 41 41 ASN HD21 H 1 6.782 0.030 . 2 . . . . 41 ASN HD21 . 10211 1 447 . 1 1 41 41 ASN HD22 H 1 7.650 0.030 . 2 . . . . 41 ASN HD22 . 10211 1 448 . 1 1 41 41 ASN C C 13 174.318 0.300 . 1 . . . . 41 ASN C . 10211 1 449 . 1 1 42 42 GLU N N 15 122.758 0.300 . 1 . . . . 42 GLU N . 10211 1 450 . 1 1 42 42 GLU H H 1 8.419 0.030 . 1 . . . . 42 GLU H . 10211 1 451 . 1 1 42 42 GLU CA C 13 56.625 0.300 . 1 . . . . 42 GLU CA . 10211 1 452 . 1 1 42 42 GLU HA H 1 4.445 0.030 . 1 . . . . 42 GLU HA . 10211 1 453 . 1 1 42 42 GLU CB C 13 29.887 0.300 . 1 . . . . 42 GLU CB . 10211 1 454 . 1 1 42 42 GLU HB2 H 1 2.316 0.030 . 2 . . . . 42 GLU HB2 . 10211 1 455 . 1 1 42 42 GLU HB3 H 1 2.288 0.030 . 2 . . . . 42 GLU HB3 . 10211 1 456 . 1 1 42 42 GLU CG C 13 37.099 0.300 . 1 . . . . 42 GLU CG . 10211 1 457 . 1 1 42 42 GLU HG2 H 1 2.100 0.030 . 2 . . . . 42 GLU HG2 . 10211 1 458 . 1 1 42 42 GLU HG3 H 1 2.285 0.030 . 2 . . . . 42 GLU HG3 . 10211 1 459 . 1 1 42 42 GLU C C 13 173.885 0.300 . 1 . . . . 42 GLU C . 10211 1 460 . 1 1 43 43 GLU N N 15 119.431 0.300 . 1 . . . . 43 GLU N . 10211 1 461 . 1 1 43 43 GLU H H 1 7.901 0.030 . 1 . . . . 43 GLU H . 10211 1 462 . 1 1 43 43 GLU CA C 13 54.997 0.300 . 1 . . . . 43 GLU CA . 10211 1 463 . 1 1 43 43 GLU HA H 1 5.106 0.030 . 1 . . . . 43 GLU HA . 10211 1 464 . 1 1 43 43 GLU CB C 13 32.392 0.300 . 1 . . . . 43 GLU CB . 10211 1 465 . 1 1 43 43 GLU HB2 H 1 1.949 0.030 . 1 . . . . 43 GLU HB2 . 10211 1 466 . 1 1 43 43 GLU HB3 H 1 1.949 0.030 . 1 . . . . 43 GLU HB3 . 10211 1 467 . 1 1 43 43 GLU CG C 13 36.741 0.300 . 1 . . . . 43 GLU CG . 10211 1 468 . 1 1 43 43 GLU HG2 H 1 2.062 0.030 . 2 . . . . 43 GLU HG2 . 10211 1 469 . 1 1 43 43 GLU HG3 H 1 2.388 0.030 . 2 . . . . 43 GLU HG3 . 10211 1 470 . 1 1 43 43 GLU C C 13 175.285 0.300 . 1 . . . . 43 GLU C . 10211 1 471 . 1 1 44 44 TYR N N 15 118.011 0.300 . 1 . . . . 44 TYR N . 10211 1 472 . 1 1 44 44 TYR H H 1 9.196 0.030 . 1 . . . . 44 TYR H . 10211 1 473 . 1 1 44 44 TYR CA C 13 56.847 0.300 . 1 . . . . 44 TYR CA . 10211 1 474 . 1 1 44 44 TYR HA H 1 4.708 0.030 . 1 . . . . 44 TYR HA . 10211 1 475 . 1 1 44 44 TYR CB C 13 42.218 0.300 . 1 . . . . 44 TYR CB . 10211 1 476 . 1 1 44 44 TYR HB2 H 1 2.714 0.030 . 2 . . . . 44 TYR HB2 . 10211 1 477 . 1 1 44 44 TYR HB3 H 1 2.312 0.030 . 2 . . . . 44 TYR HB3 . 10211 1 478 . 1 1 44 44 TYR CD1 C 13 132.759 0.300 . 1 . . . . 44 TYR CD1 . 10211 1 479 . 1 1 44 44 TYR HD1 H 1 6.789 0.030 . 1 . . . . 44 TYR HD1 . 10211 1 480 . 1 1 44 44 TYR CD2 C 13 132.759 0.300 . 1 . . . . 44 TYR CD2 . 10211 1 481 . 1 1 44 44 TYR HD2 H 1 6.789 0.030 . 1 . . . . 44 TYR HD2 . 10211 1 482 . 1 1 44 44 TYR CE1 C 13 119.535 0.300 . 1 . . . . 44 TYR CE1 . 10211 1 483 . 1 1 44 44 TYR HE1 H 1 6.912 0.030 . 1 . . . . 44 TYR HE1 . 10211 1 484 . 1 1 44 44 TYR CE2 C 13 119.535 0.300 . 1 . . . . 44 TYR CE2 . 10211 1 485 . 1 1 44 44 TYR HE2 H 1 6.912 0.030 . 1 . . . . 44 TYR HE2 . 10211 1 486 . 1 1 44 44 TYR C C 13 173.315 0.300 . 1 . . . . 44 TYR C . 10211 1 487 . 1 1 45 45 CYS N N 15 120.674 0.300 . 1 . . . . 45 CYS N . 10211 1 488 . 1 1 45 45 CYS H H 1 8.803 0.030 . 1 . . . . 45 CYS H . 10211 1 489 . 1 1 45 45 CYS CA C 13 57.318 0.300 . 1 . . . . 45 CYS CA . 10211 1 490 . 1 1 45 45 CYS HA H 1 4.425 0.030 . 1 . . . . 45 CYS HA . 10211 1 491 . 1 1 45 45 CYS CB C 13 27.610 0.300 . 1 . . . . 45 CYS CB . 10211 1 492 . 1 1 45 45 CYS HB2 H 1 1.701 0.030 . 2 . . . . 45 CYS HB2 . 10211 1 493 . 1 1 45 45 CYS HB3 H 1 2.372 0.030 . 2 . . . . 45 CYS HB3 . 10211 1 494 . 1 1 45 45 CYS C C 13 174.817 0.300 . 1 . . . . 45 CYS C . 10211 1 495 . 1 1 46 46 LEU N N 15 129.242 0.300 . 1 . . . . 46 LEU N . 10211 1 496 . 1 1 46 46 LEU H H 1 8.803 0.030 . 1 . . . . 46 LEU H . 10211 1 497 . 1 1 46 46 LEU CA C 13 55.404 0.300 . 1 . . . . 46 LEU CA . 10211 1 498 . 1 1 46 46 LEU HA H 1 4.224 0.030 . 1 . . . . 46 LEU HA . 10211 1 499 . 1 1 46 46 LEU CB C 13 42.929 0.300 . 1 . . . . 46 LEU CB . 10211 1 500 . 1 1 46 46 LEU HB2 H 1 1.053 0.030 . 2 . . . . 46 LEU HB2 . 10211 1 501 . 1 1 46 46 LEU HB3 H 1 1.793 0.030 . 2 . . . . 46 LEU HB3 . 10211 1 502 . 1 1 46 46 LEU CG C 13 26.802 0.300 . 1 . . . . 46 LEU CG . 10211 1 503 . 1 1 46 46 LEU HG H 1 1.126 0.030 . 1 . . . . 46 LEU HG . 10211 1 504 . 1 1 46 46 LEU CD1 C 13 25.474 0.300 . 2 . . . . 46 LEU CD1 . 10211 1 505 . 1 1 46 46 LEU HD11 H 1 0.377 0.030 . 1 . . . . 46 LEU HD1 . 10211 1 506 . 1 1 46 46 LEU HD12 H 1 0.377 0.030 . 1 . . . . 46 LEU HD1 . 10211 1 507 . 1 1 46 46 LEU HD13 H 1 0.377 0.030 . 1 . . . . 46 LEU HD1 . 10211 1 508 . 1 1 46 46 LEU CD2 C 13 24.328 0.300 . 2 . . . . 46 LEU CD2 . 10211 1 509 . 1 1 46 46 LEU HD21 H 1 0.584 0.030 . 1 . . . . 46 LEU HD2 . 10211 1 510 . 1 1 46 46 LEU HD22 H 1 0.584 0.030 . 1 . . . . 46 LEU HD2 . 10211 1 511 . 1 1 46 46 LEU HD23 H 1 0.584 0.030 . 1 . . . . 46 LEU HD2 . 10211 1 512 . 1 1 46 46 LEU C C 13 174.895 0.300 . 1 . . . . 46 LEU C . 10211 1 513 . 1 1 47 47 LEU N N 15 127.172 0.300 . 1 . . . . 47 LEU N . 10211 1 514 . 1 1 47 47 LEU H H 1 8.780 0.030 . 1 . . . . 47 LEU H . 10211 1 515 . 1 1 47 47 LEU CA C 13 55.322 0.300 . 1 . . . . 47 LEU CA . 10211 1 516 . 1 1 47 47 LEU HA H 1 4.478 0.030 . 1 . . . . 47 LEU HA . 10211 1 517 . 1 1 47 47 LEU CB C 13 42.904 0.300 . 1 . . . . 47 LEU CB . 10211 1 518 . 1 1 47 47 LEU HB2 H 1 1.392 0.030 . 2 . . . . 47 LEU HB2 . 10211 1 519 . 1 1 47 47 LEU HB3 H 1 1.228 0.030 . 2 . . . . 47 LEU HB3 . 10211 1 520 . 1 1 47 47 LEU CG C 13 26.632 0.300 . 1 . . . . 47 LEU CG . 10211 1 521 . 1 1 47 47 LEU HG H 1 1.482 0.030 . 1 . . . . 47 LEU HG . 10211 1 522 . 1 1 47 47 LEU CD1 C 13 26.251 0.300 . 2 . . . . 47 LEU CD1 . 10211 1 523 . 1 1 47 47 LEU HD11 H 1 0.702 0.030 . 1 . . . . 47 LEU HD1 . 10211 1 524 . 1 1 47 47 LEU HD12 H 1 0.702 0.030 . 1 . . . . 47 LEU HD1 . 10211 1 525 . 1 1 47 47 LEU HD13 H 1 0.702 0.030 . 1 . . . . 47 LEU HD1 . 10211 1 526 . 1 1 47 47 LEU CD2 C 13 22.162 0.300 . 2 . . . . 47 LEU CD2 . 10211 1 527 . 1 1 47 47 LEU HD21 H 1 0.717 0.030 . 1 . . . . 47 LEU HD2 . 10211 1 528 . 1 1 47 47 LEU HD22 H 1 0.717 0.030 . 1 . . . . 47 LEU HD2 . 10211 1 529 . 1 1 47 47 LEU HD23 H 1 0.717 0.030 . 1 . . . . 47 LEU HD2 . 10211 1 530 . 1 1 47 47 LEU C C 13 177.543 0.300 . 1 . . . . 47 LEU C . 10211 1 531 . 1 1 48 48 ASP N N 15 115.262 0.300 . 1 . . . . 48 ASP N . 10211 1 532 . 1 1 48 48 ASP H H 1 7.516 0.030 . 1 . . . . 48 ASP H . 10211 1 533 . 1 1 48 48 ASP CA C 13 54.649 0.300 . 1 . . . . 48 ASP CA . 10211 1 534 . 1 1 48 48 ASP HA H 1 4.754 0.030 . 1 . . . . 48 ASP HA . 10211 1 535 . 1 1 48 48 ASP CB C 13 43.524 0.300 . 1 . . . . 48 ASP CB . 10211 1 536 . 1 1 48 48 ASP HB2 H 1 2.644 0.030 . 1 . . . . 48 ASP HB2 . 10211 1 537 . 1 1 48 48 ASP HB3 H 1 2.644 0.030 . 1 . . . . 48 ASP HB3 . 10211 1 538 . 1 1 48 48 ASP C C 13 175.044 0.300 . 1 . . . . 48 ASP C . 10211 1 539 . 1 1 49 49 SER N N 15 123.571 0.300 . 1 . . . . 49 SER N . 10211 1 540 . 1 1 49 49 SER H H 1 8.911 0.030 . 1 . . . . 49 SER H . 10211 1 541 . 1 1 49 49 SER CA C 13 56.641 0.300 . 1 . . . . 49 SER CA . 10211 1 542 . 1 1 49 49 SER HA H 1 4.019 0.030 . 1 . . . . 49 SER HA . 10211 1 543 . 1 1 49 49 SER CB C 13 62.018 0.300 . 1 . . . . 49 SER CB . 10211 1 544 . 1 1 49 49 SER HB2 H 1 2.070 0.030 . 2 . . . . 49 SER HB2 . 10211 1 545 . 1 1 49 49 SER HB3 H 1 2.957 0.030 . 2 . . . . 49 SER HB3 . 10211 1 546 . 1 1 49 49 SER C C 13 173.953 0.300 . 1 . . . . 49 SER C . 10211 1 547 . 1 1 50 50 SER N N 15 118.555 0.300 . 1 . . . . 50 SER N . 10211 1 548 . 1 1 50 50 SER H H 1 8.528 0.030 . 1 . . . . 50 SER H . 10211 1 549 . 1 1 50 50 SER CA C 13 61.824 0.300 . 1 . . . . 50 SER CA . 10211 1 550 . 1 1 50 50 SER HA H 1 4.050 0.030 . 1 . . . . 50 SER HA . 10211 1 551 . 1 1 50 50 SER CB C 13 63.334 0.300 . 1 . . . . 50 SER CB . 10211 1 552 . 1 1 50 50 SER HB2 H 1 3.954 0.030 . 1 . . . . 50 SER HB2 . 10211 1 553 . 1 1 50 50 SER HB3 H 1 3.954 0.030 . 1 . . . . 50 SER HB3 . 10211 1 554 . 1 1 50 50 SER C C 13 175.507 0.300 . 1 . . . . 50 SER C . 10211 1 555 . 1 1 51 51 GLU N N 15 123.653 0.300 . 1 . . . . 51 GLU N . 10211 1 556 . 1 1 51 51 GLU H H 1 8.756 0.030 . 1 . . . . 51 GLU H . 10211 1 557 . 1 1 51 51 GLU CA C 13 55.391 0.300 . 1 . . . . 51 GLU CA . 10211 1 558 . 1 1 51 51 GLU HA H 1 4.690 0.030 . 1 . . . . 51 GLU HA . 10211 1 559 . 1 1 51 51 GLU CB C 13 30.112 0.300 . 1 . . . . 51 GLU CB . 10211 1 560 . 1 1 51 51 GLU HB2 H 1 2.556 0.030 . 2 . . . . 51 GLU HB2 . 10211 1 561 . 1 1 51 51 GLU HB3 H 1 2.464 0.030 . 2 . . . . 51 GLU HB3 . 10211 1 562 . 1 1 51 51 GLU CG C 13 36.604 0.300 . 1 . . . . 51 GLU CG . 10211 1 563 . 1 1 51 51 GLU HG2 H 1 2.530 0.030 . 2 . . . . 51 GLU HG2 . 10211 1 564 . 1 1 51 51 GLU HG3 H 1 2.405 0.030 . 2 . . . . 51 GLU HG3 . 10211 1 565 . 1 1 51 51 GLU C C 13 176.574 0.300 . 1 . . . . 51 GLU C . 10211 1 566 . 1 1 52 52 ILE N N 15 117.495 0.300 . 1 . . . . 52 ILE N . 10211 1 567 . 1 1 52 52 ILE H H 1 8.223 0.030 . 1 . . . . 52 ILE H . 10211 1 568 . 1 1 52 52 ILE CA C 13 64.478 0.300 . 1 . . . . 52 ILE CA . 10211 1 569 . 1 1 52 52 ILE HA H 1 3.946 0.030 . 1 . . . . 52 ILE HA . 10211 1 570 . 1 1 52 52 ILE CB C 13 38.365 0.300 . 1 . . . . 52 ILE CB . 10211 1 571 . 1 1 52 52 ILE HB H 1 1.579 0.030 . 1 . . . . 52 ILE HB . 10211 1 572 . 1 1 52 52 ILE CG1 C 13 27.786 0.300 . 1 . . . . 52 ILE CG1 . 10211 1 573 . 1 1 52 52 ILE HG12 H 1 1.395 0.030 . 2 . . . . 52 ILE HG12 . 10211 1 574 . 1 1 52 52 ILE HG13 H 1 1.119 0.030 . 2 . . . . 52 ILE HG13 . 10211 1 575 . 1 1 52 52 ILE CG2 C 13 16.575 0.300 . 1 . . . . 52 ILE CG2 . 10211 1 576 . 1 1 52 52 ILE HG21 H 1 0.447 0.030 . 1 . . . . 52 ILE HG2 . 10211 1 577 . 1 1 52 52 ILE HG22 H 1 0.447 0.030 . 1 . . . . 52 ILE HG2 . 10211 1 578 . 1 1 52 52 ILE HG23 H 1 0.447 0.030 . 1 . . . . 52 ILE HG2 . 10211 1 579 . 1 1 52 52 ILE CD1 C 13 12.783 0.300 . 1 . . . . 52 ILE CD1 . 10211 1 580 . 1 1 52 52 ILE HD11 H 1 0.834 0.030 . 1 . . . . 52 ILE HD1 . 10211 1 581 . 1 1 52 52 ILE HD12 H 1 0.834 0.030 . 1 . . . . 52 ILE HD1 . 10211 1 582 . 1 1 52 52 ILE HD13 H 1 0.834 0.030 . 1 . . . . 52 ILE HD1 . 10211 1 583 . 1 1 52 52 ILE C C 13 178.681 0.300 . 1 . . . . 52 ILE C . 10211 1 584 . 1 1 53 53 HIS N N 15 116.338 0.300 . 1 . . . . 53 HIS N . 10211 1 585 . 1 1 53 53 HIS H H 1 8.529 0.030 . 1 . . . . 53 HIS H . 10211 1 586 . 1 1 53 53 HIS CA C 13 57.974 0.300 . 1 . . . . 53 HIS CA . 10211 1 587 . 1 1 53 53 HIS HA H 1 4.332 0.030 . 1 . . . . 53 HIS HA . 10211 1 588 . 1 1 53 53 HIS CB C 13 31.646 0.300 . 1 . . . . 53 HIS CB . 10211 1 589 . 1 1 53 53 HIS HB2 H 1 2.818 0.030 . 2 . . . . 53 HIS HB2 . 10211 1 590 . 1 1 53 53 HIS HB3 H 1 3.060 0.030 . 2 . . . . 53 HIS HB3 . 10211 1 591 . 1 1 53 53 HIS CD2 C 13 119.664 0.300 . 1 . . . . 53 HIS CD2 . 10211 1 592 . 1 1 53 53 HIS HD2 H 1 6.856 0.030 . 1 . . . . 53 HIS HD2 . 10211 1 593 . 1 1 53 53 HIS CE1 C 13 138.490 0.300 . 1 . . . . 53 HIS CE1 . 10211 1 594 . 1 1 53 53 HIS HE1 H 1 7.768 0.030 . 1 . . . . 53 HIS HE1 . 10211 1 595 . 1 1 53 53 HIS C C 13 175.678 0.300 . 1 . . . . 53 HIS C . 10211 1 596 . 1 1 54 54 TRP N N 15 120.664 0.300 . 1 . . . . 54 TRP N . 10211 1 597 . 1 1 54 54 TRP H H 1 7.298 0.030 . 1 . . . . 54 TRP H . 10211 1 598 . 1 1 54 54 TRP CA C 13 55.972 0.300 . 1 . . . . 54 TRP CA . 10211 1 599 . 1 1 54 54 TRP HA H 1 5.142 0.030 . 1 . . . . 54 TRP HA . 10211 1 600 . 1 1 54 54 TRP CB C 13 31.957 0.300 . 1 . . . . 54 TRP CB . 10211 1 601 . 1 1 54 54 TRP HB2 H 1 2.832 0.030 . 2 . . . . 54 TRP HB2 . 10211 1 602 . 1 1 54 54 TRP HB3 H 1 2.985 0.030 . 2 . . . . 54 TRP HB3 . 10211 1 603 . 1 1 54 54 TRP CD1 C 13 127.214 0.300 . 1 . . . . 54 TRP CD1 . 10211 1 604 . 1 1 54 54 TRP HD1 H 1 7.118 0.030 . 1 . . . . 54 TRP HD1 . 10211 1 605 . 1 1 54 54 TRP NE1 N 15 128.572 0.300 . 1 . . . . 54 TRP NE1 . 10211 1 606 . 1 1 54 54 TRP HE1 H 1 9.985 0.030 . 1 . . . . 54 TRP HE1 . 10211 1 607 . 1 1 54 54 TRP CE3 C 13 119.525 0.300 . 1 . . . . 54 TRP CE3 . 10211 1 608 . 1 1 54 54 TRP HE3 H 1 7.102 0.030 . 1 . . . . 54 TRP HE3 . 10211 1 609 . 1 1 54 54 TRP CZ2 C 13 114.421 0.300 . 1 . . . . 54 TRP CZ2 . 10211 1 610 . 1 1 54 54 TRP HZ2 H 1 7.335 0.030 . 1 . . . . 54 TRP HZ2 . 10211 1 611 . 1 1 54 54 TRP CZ3 C 13 121.100 0.300 . 1 . . . . 54 TRP CZ3 . 10211 1 612 . 1 1 54 54 TRP HZ3 H 1 6.649 0.030 . 1 . . . . 54 TRP HZ3 . 10211 1 613 . 1 1 54 54 TRP CH2 C 13 125.345 0.300 . 1 . . . . 54 TRP CH2 . 10211 1 614 . 1 1 54 54 TRP HH2 H 1 7.193 0.030 . 1 . . . . 54 TRP HH2 . 10211 1 615 . 1 1 54 54 TRP C C 13 174.289 0.300 . 1 . . . . 54 TRP C . 10211 1 616 . 1 1 55 55 TRP N N 15 124.636 0.300 . 1 . . . . 55 TRP N . 10211 1 617 . 1 1 55 55 TRP H H 1 9.260 0.030 . 1 . . . . 55 TRP H . 10211 1 618 . 1 1 55 55 TRP CA C 13 53.365 0.300 . 1 . . . . 55 TRP CA . 10211 1 619 . 1 1 55 55 TRP HA H 1 5.503 0.030 . 1 . . . . 55 TRP HA . 10211 1 620 . 1 1 55 55 TRP CB C 13 32.591 0.300 . 1 . . . . 55 TRP CB . 10211 1 621 . 1 1 55 55 TRP HB2 H 1 2.665 0.030 . 2 . . . . 55 TRP HB2 . 10211 1 622 . 1 1 55 55 TRP HB3 H 1 2.951 0.030 . 2 . . . . 55 TRP HB3 . 10211 1 623 . 1 1 55 55 TRP CD1 C 13 124.706 0.300 . 1 . . . . 55 TRP CD1 . 10211 1 624 . 1 1 55 55 TRP HD1 H 1 7.325 0.030 . 1 . . . . 55 TRP HD1 . 10211 1 625 . 1 1 55 55 TRP NE1 N 15 128.884 0.300 . 1 . . . . 55 TRP NE1 . 10211 1 626 . 1 1 55 55 TRP HE1 H 1 9.515 0.030 . 1 . . . . 55 TRP HE1 . 10211 1 627 . 1 1 55 55 TRP CE3 C 13 120.924 0.300 . 1 . . . . 55 TRP CE3 . 10211 1 628 . 1 1 55 55 TRP HE3 H 1 7.113 0.030 . 1 . . . . 55 TRP HE3 . 10211 1 629 . 1 1 55 55 TRP CZ2 C 13 114.700 0.300 . 1 . . . . 55 TRP CZ2 . 10211 1 630 . 1 1 55 55 TRP HZ2 H 1 7.525 0.030 . 1 . . . . 55 TRP HZ2 . 10211 1 631 . 1 1 55 55 TRP CZ3 C 13 120.606 0.300 . 1 . . . . 55 TRP CZ3 . 10211 1 632 . 1 1 55 55 TRP HZ3 H 1 6.742 0.030 . 1 . . . . 55 TRP HZ3 . 10211 1 633 . 1 1 55 55 TRP CH2 C 13 124.985 0.300 . 1 . . . . 55 TRP CH2 . 10211 1 634 . 1 1 55 55 TRP HH2 H 1 7.182 0.030 . 1 . . . . 55 TRP HH2 . 10211 1 635 . 1 1 55 55 TRP C C 13 174.620 0.300 . 1 . . . . 55 TRP C . 10211 1 636 . 1 1 56 56 ARG N N 15 122.963 0.300 . 1 . . . . 56 ARG N . 10211 1 637 . 1 1 56 56 ARG H H 1 8.876 0.030 . 1 . . . . 56 ARG H . 10211 1 638 . 1 1 56 56 ARG CA C 13 55.250 0.300 . 1 . . . . 56 ARG CA . 10211 1 639 . 1 1 56 56 ARG HA H 1 4.716 0.030 . 1 . . . . 56 ARG HA . 10211 1 640 . 1 1 56 56 ARG CB C 13 32.705 0.300 . 1 . . . . 56 ARG CB . 10211 1 641 . 1 1 56 56 ARG HB2 H 1 1.191 0.030 . 2 . . . . 56 ARG HB2 . 10211 1 642 . 1 1 56 56 ARG HB3 H 1 1.615 0.030 . 2 . . . . 56 ARG HB3 . 10211 1 643 . 1 1 56 56 ARG CG C 13 28.610 0.300 . 1 . . . . 56 ARG CG . 10211 1 644 . 1 1 56 56 ARG HG2 H 1 1.061 0.030 . 2 . . . . 56 ARG HG2 . 10211 1 645 . 1 1 56 56 ARG HG3 H 1 0.765 0.030 . 2 . . . . 56 ARG HG3 . 10211 1 646 . 1 1 56 56 ARG CD C 13 43.010 0.300 . 1 . . . . 56 ARG CD . 10211 1 647 . 1 1 56 56 ARG HD2 H 1 2.871 0.030 . 1 . . . . 56 ARG HD2 . 10211 1 648 . 1 1 56 56 ARG HD3 H 1 2.871 0.030 . 1 . . . . 56 ARG HD3 . 10211 1 649 . 1 1 56 56 ARG NE N 15 83.237 0.300 . 1 . . . . 56 ARG NE . 10211 1 650 . 1 1 56 56 ARG HE H 1 7.348 0.030 . 1 . . . . 56 ARG HE . 10211 1 651 . 1 1 56 56 ARG C C 13 175.777 0.300 . 1 . . . . 56 ARG C . 10211 1 652 . 1 1 57 57 VAL N N 15 119.683 0.300 . 1 . . . . 57 VAL N . 10211 1 653 . 1 1 57 57 VAL H H 1 8.784 0.030 . 1 . . . . 57 VAL H . 10211 1 654 . 1 1 57 57 VAL CA C 13 58.632 0.300 . 1 . . . . 57 VAL CA . 10211 1 655 . 1 1 57 57 VAL HA H 1 5.356 0.030 . 1 . . . . 57 VAL HA . 10211 1 656 . 1 1 57 57 VAL CB C 13 36.354 0.300 . 1 . . . . 57 VAL CB . 10211 1 657 . 1 1 57 57 VAL HB H 1 2.091 0.030 . 1 . . . . 57 VAL HB . 10211 1 658 . 1 1 57 57 VAL CG1 C 13 21.894 0.300 . 2 . . . . 57 VAL CG1 . 10211 1 659 . 1 1 57 57 VAL HG11 H 1 0.756 0.030 . 1 . . . . 57 VAL HG1 . 10211 1 660 . 1 1 57 57 VAL HG12 H 1 0.756 0.030 . 1 . . . . 57 VAL HG1 . 10211 1 661 . 1 1 57 57 VAL HG13 H 1 0.756 0.030 . 1 . . . . 57 VAL HG1 . 10211 1 662 . 1 1 57 57 VAL CG2 C 13 19.145 0.300 . 2 . . . . 57 VAL CG2 . 10211 1 663 . 1 1 57 57 VAL HG21 H 1 0.623 0.030 . 1 . . . . 57 VAL HG2 . 10211 1 664 . 1 1 57 57 VAL HG22 H 1 0.623 0.030 . 1 . . . . 57 VAL HG2 . 10211 1 665 . 1 1 57 57 VAL HG23 H 1 0.623 0.030 . 1 . . . . 57 VAL HG2 . 10211 1 666 . 1 1 57 57 VAL C C 13 172.758 0.300 . 1 . . . . 57 VAL C . 10211 1 667 . 1 1 58 58 GLN N N 15 118.904 0.300 . 1 . . . . 58 GLN N . 10211 1 668 . 1 1 58 58 GLN H H 1 8.911 0.030 . 1 . . . . 58 GLN H . 10211 1 669 . 1 1 58 58 GLN CA C 13 53.324 0.300 . 1 . . . . 58 GLN CA . 10211 1 670 . 1 1 58 58 GLN HA H 1 5.677 0.030 . 1 . . . . 58 GLN HA . 10211 1 671 . 1 1 58 58 GLN CB C 13 35.149 0.300 . 1 . . . . 58 GLN CB . 10211 1 672 . 1 1 58 58 GLN HB2 H 1 2.080 0.030 . 2 . . . . 58 GLN HB2 . 10211 1 673 . 1 1 58 58 GLN HB3 H 1 1.913 0.030 . 2 . . . . 58 GLN HB3 . 10211 1 674 . 1 1 58 58 GLN CG C 13 34.646 0.300 . 1 . . . . 58 GLN CG . 10211 1 675 . 1 1 58 58 GLN HG2 H 1 2.256 0.030 . 2 . . . . 58 GLN HG2 . 10211 1 676 . 1 1 58 58 GLN HG3 H 1 2.889 0.030 . 2 . . . . 58 GLN HG3 . 10211 1 677 . 1 1 58 58 GLN NE2 N 15 111.960 0.300 . 1 . . . . 58 GLN NE2 . 10211 1 678 . 1 1 58 58 GLN HE21 H 1 6.871 0.030 . 2 . . . . 58 GLN HE21 . 10211 1 679 . 1 1 58 58 GLN HE22 H 1 7.881 0.030 . 2 . . . . 58 GLN HE22 . 10211 1 680 . 1 1 58 58 GLN C C 13 175.711 0.300 . 1 . . . . 58 GLN C . 10211 1 681 . 1 1 59 59 ASP N N 15 125.232 0.300 . 1 . . . . 59 ASP N . 10211 1 682 . 1 1 59 59 ASP H H 1 9.274 0.030 . 1 . . . . 59 ASP H . 10211 1 683 . 1 1 59 59 ASP CA C 13 52.577 0.300 . 1 . . . . 59 ASP CA . 10211 1 684 . 1 1 59 59 ASP HA H 1 5.257 0.030 . 1 . . . . 59 ASP HA . 10211 1 685 . 1 1 59 59 ASP CB C 13 43.563 0.300 . 1 . . . . 59 ASP CB . 10211 1 686 . 1 1 59 59 ASP HB2 H 1 3.011 0.030 . 2 . . . . 59 ASP HB2 . 10211 1 687 . 1 1 59 59 ASP HB3 H 1 3.735 0.030 . 2 . . . . 59 ASP HB3 . 10211 1 688 . 1 1 59 59 ASP C C 13 178.615 0.300 . 1 . . . . 59 ASP C . 10211 1 689 . 1 1 60 60 ARG N N 15 117.439 0.300 . 1 . . . . 60 ARG N . 10211 1 690 . 1 1 60 60 ARG H H 1 9.177 0.030 . 1 . . . . 60 ARG H . 10211 1 691 . 1 1 60 60 ARG CA C 13 57.908 0.300 . 1 . . . . 60 ARG CA . 10211 1 692 . 1 1 60 60 ARG HA H 1 3.987 0.030 . 1 . . . . 60 ARG HA . 10211 1 693 . 1 1 60 60 ARG CB C 13 29.590 0.300 . 1 . . . . 60 ARG CB . 10211 1 694 . 1 1 60 60 ARG HB2 H 1 1.719 0.030 . 1 . . . . 60 ARG HB2 . 10211 1 695 . 1 1 60 60 ARG HB3 H 1 1.719 0.030 . 1 . . . . 60 ARG HB3 . 10211 1 696 . 1 1 60 60 ARG CG C 13 26.550 0.300 . 1 . . . . 60 ARG CG . 10211 1 697 . 1 1 60 60 ARG HG2 H 1 1.478 0.030 . 1 . . . . 60 ARG HG2 . 10211 1 698 . 1 1 60 60 ARG HG3 H 1 1.478 0.030 . 1 . . . . 60 ARG HG3 . 10211 1 699 . 1 1 60 60 ARG CD C 13 43.308 0.300 . 1 . . . . 60 ARG CD . 10211 1 700 . 1 1 60 60 ARG HD2 H 1 2.968 0.030 . 1 . . . . 60 ARG HD2 . 10211 1 701 . 1 1 60 60 ARG HD3 H 1 2.968 0.030 . 1 . . . . 60 ARG HD3 . 10211 1 702 . 1 1 60 60 ARG C C 13 176.395 0.300 . 1 . . . . 60 ARG C . 10211 1 703 . 1 1 61 61 ASN N N 15 117.081 0.300 . 1 . . . . 61 ASN N . 10211 1 704 . 1 1 61 61 ASN H H 1 8.294 0.030 . 1 . . . . 61 ASN H . 10211 1 705 . 1 1 61 61 ASN CA C 13 53.024 0.300 . 1 . . . . 61 ASN CA . 10211 1 706 . 1 1 61 61 ASN HA H 1 4.852 0.030 . 1 . . . . 61 ASN HA . 10211 1 707 . 1 1 61 61 ASN CB C 13 39.662 0.300 . 1 . . . . 61 ASN CB . 10211 1 708 . 1 1 61 61 ASN HB2 H 1 2.673 0.030 . 2 . . . . 61 ASN HB2 . 10211 1 709 . 1 1 61 61 ASN HB3 H 1 2.849 0.030 . 2 . . . . 61 ASN HB3 . 10211 1 710 . 1 1 61 61 ASN ND2 N 15 114.453 0.300 . 1 . . . . 61 ASN ND2 . 10211 1 711 . 1 1 61 61 ASN HD21 H 1 7.840 0.030 . 2 . . . . 61 ASN HD21 . 10211 1 712 . 1 1 61 61 ASN HD22 H 1 6.964 0.030 . 2 . . . . 61 ASN HD22 . 10211 1 713 . 1 1 61 61 ASN C C 13 175.197 0.300 . 1 . . . . 61 ASN C . 10211 1 714 . 1 1 62 62 GLY N N 15 107.804 0.300 . 1 . . . . 62 GLY N . 10211 1 715 . 1 1 62 62 GLY H H 1 8.195 0.030 . 1 . . . . 62 GLY H . 10211 1 716 . 1 1 62 62 GLY CA C 13 45.423 0.300 . 1 . . . . 62 GLY CA . 10211 1 717 . 1 1 62 62 GLY HA2 H 1 3.551 0.030 . 2 . . . . 62 GLY HA2 . 10211 1 718 . 1 1 62 62 GLY HA3 H 1 4.225 0.030 . 2 . . . . 62 GLY HA3 . 10211 1 719 . 1 1 62 62 GLY C C 13 174.475 0.300 . 1 . . . . 62 GLY C . 10211 1 720 . 1 1 63 63 HIS N N 15 122.780 0.300 . 1 . . . . 63 HIS N . 10211 1 721 . 1 1 63 63 HIS H H 1 8.615 0.030 . 1 . . . . 63 HIS H . 10211 1 722 . 1 1 63 63 HIS CA C 13 55.653 0.300 . 1 . . . . 63 HIS CA . 10211 1 723 . 1 1 63 63 HIS HA H 1 4.784 0.030 . 1 . . . . 63 HIS HA . 10211 1 724 . 1 1 63 63 HIS CB C 13 29.357 0.300 . 1 . . . . 63 HIS CB . 10211 1 725 . 1 1 63 63 HIS HB2 H 1 3.224 0.030 . 2 . . . . 63 HIS HB2 . 10211 1 726 . 1 1 63 63 HIS HB3 H 1 3.393 0.030 . 2 . . . . 63 HIS HB3 . 10211 1 727 . 1 1 63 63 HIS CD2 C 13 119.880 0.300 . 1 . . . . 63 HIS CD2 . 10211 1 728 . 1 1 63 63 HIS HD2 H 1 7.296 0.030 . 1 . . . . 63 HIS HD2 . 10211 1 729 . 1 1 63 63 HIS CE1 C 13 136.748 0.300 . 1 . . . . 63 HIS CE1 . 10211 1 730 . 1 1 63 63 HIS HE1 H 1 8.296 0.030 . 1 . . . . 63 HIS HE1 . 10211 1 731 . 1 1 63 63 HIS C C 13 173.926 0.300 . 1 . . . . 63 HIS C . 10211 1 732 . 1 1 64 64 GLU N N 15 119.741 0.300 . 1 . . . . 64 GLU N . 10211 1 733 . 1 1 64 64 GLU H H 1 8.681 0.030 . 1 . . . . 64 GLU H . 10211 1 734 . 1 1 64 64 GLU CA C 13 53.989 0.300 . 1 . . . . 64 GLU CA . 10211 1 735 . 1 1 64 64 GLU HA H 1 5.835 0.030 . 1 . . . . 64 GLU HA . 10211 1 736 . 1 1 64 64 GLU CB C 13 34.417 0.300 . 1 . . . . 64 GLU CB . 10211 1 737 . 1 1 64 64 GLU HB2 H 1 1.900 0.030 . 2 . . . . 64 GLU HB2 . 10211 1 738 . 1 1 64 64 GLU HB3 H 1 1.805 0.030 . 2 . . . . 64 GLU HB3 . 10211 1 739 . 1 1 64 64 GLU CG C 13 36.276 0.300 . 1 . . . . 64 GLU CG . 10211 1 740 . 1 1 64 64 GLU HG2 H 1 2.109 0.030 . 2 . . . . 64 GLU HG2 . 10211 1 741 . 1 1 64 64 GLU HG3 H 1 2.291 0.030 . 2 . . . . 64 GLU HG3 . 10211 1 742 . 1 1 64 64 GLU C C 13 176.358 0.300 . 1 . . . . 64 GLU C . 10211 1 743 . 1 1 65 65 GLY N N 15 105.646 0.300 . 1 . . . . 65 GLY N . 10211 1 744 . 1 1 65 65 GLY H H 1 8.399 0.030 . 1 . . . . 65 GLY H . 10211 1 745 . 1 1 65 65 GLY CA C 13 45.368 0.300 . 1 . . . . 65 GLY CA . 10211 1 746 . 1 1 65 65 GLY HA2 H 1 3.959 0.030 . 2 . . . . 65 GLY HA2 . 10211 1 747 . 1 1 65 65 GLY HA3 H 1 3.835 0.030 . 2 . . . . 65 GLY HA3 . 10211 1 748 . 1 1 65 65 GLY C C 13 170.819 0.300 . 1 . . . . 65 GLY C . 10211 1 749 . 1 1 66 66 TYR N N 15 119.001 0.300 . 1 . . . . 66 TYR N . 10211 1 750 . 1 1 66 66 TYR H H 1 8.863 0.030 . 1 . . . . 66 TYR H . 10211 1 751 . 1 1 66 66 TYR CA C 13 59.140 0.300 . 1 . . . . 66 TYR CA . 10211 1 752 . 1 1 66 66 TYR HA H 1 5.317 0.030 . 1 . . . . 66 TYR HA . 10211 1 753 . 1 1 66 66 TYR CB C 13 40.974 0.300 . 1 . . . . 66 TYR CB . 10211 1 754 . 1 1 66 66 TYR HB2 H 1 2.829 0.030 . 2 . . . . 66 TYR HB2 . 10211 1 755 . 1 1 66 66 TYR HB3 H 1 2.621 0.030 . 2 . . . . 66 TYR HB3 . 10211 1 756 . 1 1 66 66 TYR CD1 C 13 133.009 0.300 . 1 . . . . 66 TYR CD1 . 10211 1 757 . 1 1 66 66 TYR HD1 H 1 6.983 0.030 . 1 . . . . 66 TYR HD1 . 10211 1 758 . 1 1 66 66 TYR CD2 C 13 133.009 0.300 . 1 . . . . 66 TYR CD2 . 10211 1 759 . 1 1 66 66 TYR HD2 H 1 6.983 0.030 . 1 . . . . 66 TYR HD2 . 10211 1 760 . 1 1 66 66 TYR CE1 C 13 118.339 0.300 . 1 . . . . 66 TYR CE1 . 10211 1 761 . 1 1 66 66 TYR HE1 H 1 6.866 0.030 . 1 . . . . 66 TYR HE1 . 10211 1 762 . 1 1 66 66 TYR CE2 C 13 118.339 0.300 . 1 . . . . 66 TYR CE2 . 10211 1 763 . 1 1 66 66 TYR HE2 H 1 6.866 0.030 . 1 . . . . 66 TYR HE2 . 10211 1 764 . 1 1 66 66 TYR C C 13 176.158 0.300 . 1 . . . . 66 TYR C . 10211 1 765 . 1 1 67 67 VAL N N 15 112.145 0.300 . 1 . . . . 67 VAL N . 10211 1 766 . 1 1 67 67 VAL H H 1 9.180 0.030 . 1 . . . . 67 VAL H . 10211 1 767 . 1 1 67 67 VAL CA C 13 57.686 0.300 . 1 . . . . 67 VAL CA . 10211 1 768 . 1 1 67 67 VAL HA H 1 4.803 0.030 . 1 . . . . 67 VAL HA . 10211 1 769 . 1 1 67 67 VAL CB C 13 33.564 0.300 . 1 . . . . 67 VAL CB . 10211 1 770 . 1 1 67 67 VAL HB H 1 1.699 0.030 . 1 . . . . 67 VAL HB . 10211 1 771 . 1 1 67 67 VAL CG1 C 13 23.285 0.300 . 2 . . . . 67 VAL CG1 . 10211 1 772 . 1 1 67 67 VAL HG11 H 1 0.929 0.030 . 1 . . . . 67 VAL HG1 . 10211 1 773 . 1 1 67 67 VAL HG12 H 1 0.929 0.030 . 1 . . . . 67 VAL HG1 . 10211 1 774 . 1 1 67 67 VAL HG13 H 1 0.929 0.030 . 1 . . . . 67 VAL HG1 . 10211 1 775 . 1 1 67 67 VAL CG2 C 13 19.922 0.300 . 2 . . . . 67 VAL CG2 . 10211 1 776 . 1 1 67 67 VAL HG21 H 1 0.627 0.030 . 1 . . . . 67 VAL HG2 . 10211 1 777 . 1 1 67 67 VAL HG22 H 1 0.627 0.030 . 1 . . . . 67 VAL HG2 . 10211 1 778 . 1 1 67 67 VAL HG23 H 1 0.627 0.030 . 1 . . . . 67 VAL HG2 . 10211 1 779 . 1 1 67 67 VAL C C 13 172.139 0.300 . 1 . . . . 67 VAL C . 10211 1 780 . 1 1 68 68 PRO CA C 13 61.422 0.300 . 1 . . . . 68 PRO CA . 10211 1 781 . 1 1 68 68 PRO HA H 1 3.745 0.030 . 1 . . . . 68 PRO HA . 10211 1 782 . 1 1 68 68 PRO CB C 13 30.557 0.300 . 1 . . . . 68 PRO CB . 10211 1 783 . 1 1 68 68 PRO HB2 H 1 1.386 0.030 . 2 . . . . 68 PRO HB2 . 10211 1 784 . 1 1 68 68 PRO HB3 H 1 1.185 0.030 . 2 . . . . 68 PRO HB3 . 10211 1 785 . 1 1 68 68 PRO CG C 13 27.384 0.300 . 1 . . . . 68 PRO CG . 10211 1 786 . 1 1 68 68 PRO HG2 H 1 0.581 0.030 . 2 . . . . 68 PRO HG2 . 10211 1 787 . 1 1 68 68 PRO HG3 H 1 0.640 0.030 . 2 . . . . 68 PRO HG3 . 10211 1 788 . 1 1 68 68 PRO CD C 13 49.804 0.300 . 1 . . . . 68 PRO CD . 10211 1 789 . 1 1 68 68 PRO HD2 H 1 2.101 0.030 . 2 . . . . 68 PRO HD2 . 10211 1 790 . 1 1 68 68 PRO HD3 H 1 2.579 0.030 . 2 . . . . 68 PRO HD3 . 10211 1 791 . 1 1 68 68 PRO C C 13 178.674 0.300 . 1 . . . . 68 PRO C . 10211 1 792 . 1 1 69 69 SER N N 15 122.331 0.300 . 1 . . . . 69 SER N . 10211 1 793 . 1 1 69 69 SER H H 1 7.791 0.030 . 1 . . . . 69 SER H . 10211 1 794 . 1 1 69 69 SER CA C 13 60.162 0.300 . 1 . . . . 69 SER CA . 10211 1 795 . 1 1 69 69 SER HA H 1 2.790 0.030 . 1 . . . . 69 SER HA . 10211 1 796 . 1 1 69 69 SER CB C 13 60.021 0.300 . 1 . . . . 69 SER CB . 10211 1 797 . 1 1 69 69 SER HB2 H 1 1.769 0.030 . 2 . . . . 69 SER HB2 . 10211 1 798 . 1 1 69 69 SER HB3 H 1 1.693 0.030 . 2 . . . . 69 SER HB3 . 10211 1 799 . 1 1 69 69 SER C C 13 176.238 0.300 . 1 . . . . 69 SER C . 10211 1 800 . 1 1 70 70 SER N N 15 114.849 0.300 . 1 . . . . 70 SER N . 10211 1 801 . 1 1 70 70 SER H H 1 7.812 0.030 . 1 . . . . 70 SER H . 10211 1 802 . 1 1 70 70 SER CA C 13 59.590 0.300 . 1 . . . . 70 SER CA . 10211 1 803 . 1 1 70 70 SER HA H 1 4.095 0.030 . 1 . . . . 70 SER HA . 10211 1 804 . 1 1 70 70 SER CB C 13 62.885 0.300 . 1 . . . . 70 SER CB . 10211 1 805 . 1 1 70 70 SER HB2 H 1 3.766 0.030 . 2 . . . . 70 SER HB2 . 10211 1 806 . 1 1 70 70 SER HB3 H 1 3.968 0.030 . 2 . . . . 70 SER HB3 . 10211 1 807 . 1 1 70 70 SER C C 13 175.286 0.300 . 1 . . . . 70 SER C . 10211 1 808 . 1 1 71 71 TYR N N 15 122.244 0.300 . 1 . . . . 71 TYR N . 10211 1 809 . 1 1 71 71 TYR H H 1 7.593 0.030 . 1 . . . . 71 TYR H . 10211 1 810 . 1 1 71 71 TYR CA C 13 58.102 0.300 . 1 . . . . 71 TYR CA . 10211 1 811 . 1 1 71 71 TYR HA H 1 4.496 0.030 . 1 . . . . 71 TYR HA . 10211 1 812 . 1 1 71 71 TYR CB C 13 37.631 0.300 . 1 . . . . 71 TYR CB . 10211 1 813 . 1 1 71 71 TYR HB2 H 1 2.952 0.030 . 2 . . . . 71 TYR HB2 . 10211 1 814 . 1 1 71 71 TYR HB3 H 1 3.190 0.030 . 2 . . . . 71 TYR HB3 . 10211 1 815 . 1 1 71 71 TYR CD1 C 13 131.923 0.300 . 1 . . . . 71 TYR CD1 . 10211 1 816 . 1 1 71 71 TYR HD1 H 1 7.097 0.030 . 1 . . . . 71 TYR HD1 . 10211 1 817 . 1 1 71 71 TYR CD2 C 13 131.923 0.300 . 1 . . . . 71 TYR CD2 . 10211 1 818 . 1 1 71 71 TYR HD2 H 1 7.097 0.030 . 1 . . . . 71 TYR HD2 . 10211 1 819 . 1 1 71 71 TYR CE1 C 13 118.400 0.300 . 1 . . . . 71 TYR CE1 . 10211 1 820 . 1 1 71 71 TYR HE1 H 1 6.900 0.030 . 1 . . . . 71 TYR HE1 . 10211 1 821 . 1 1 71 71 TYR CE2 C 13 118.400 0.300 . 1 . . . . 71 TYR CE2 . 10211 1 822 . 1 1 71 71 TYR HE2 H 1 6.900 0.030 . 1 . . . . 71 TYR HE2 . 10211 1 823 . 1 1 71 71 TYR C C 13 174.002 0.300 . 1 . . . . 71 TYR C . 10211 1 824 . 1 1 72 72 LEU N N 15 119.079 0.300 . 1 . . . . 72 LEU N . 10211 1 825 . 1 1 72 72 LEU H H 1 7.270 0.030 . 1 . . . . 72 LEU H . 10211 1 826 . 1 1 72 72 LEU CA C 13 53.625 0.300 . 1 . . . . 72 LEU CA . 10211 1 827 . 1 1 72 72 LEU HA H 1 5.388 0.030 . 1 . . . . 72 LEU HA . 10211 1 828 . 1 1 72 72 LEU CB C 13 46.623 0.300 . 1 . . . . 72 LEU CB . 10211 1 829 . 1 1 72 72 LEU HB2 H 1 1.744 0.030 . 2 . . . . 72 LEU HB2 . 10211 1 830 . 1 1 72 72 LEU HB3 H 1 1.153 0.030 . 2 . . . . 72 LEU HB3 . 10211 1 831 . 1 1 72 72 LEU CG C 13 25.862 0.300 . 1 . . . . 72 LEU CG . 10211 1 832 . 1 1 72 72 LEU HG H 1 1.435 0.030 . 1 . . . . 72 LEU HG . 10211 1 833 . 1 1 72 72 LEU CD1 C 13 27.951 0.300 . 2 . . . . 72 LEU CD1 . 10211 1 834 . 1 1 72 72 LEU HD11 H 1 0.806 0.030 . 1 . . . . 72 LEU HD1 . 10211 1 835 . 1 1 72 72 LEU HD12 H 1 0.806 0.030 . 1 . . . . 72 LEU HD1 . 10211 1 836 . 1 1 72 72 LEU HD13 H 1 0.806 0.030 . 1 . . . . 72 LEU HD1 . 10211 1 837 . 1 1 72 72 LEU CD2 C 13 22.243 0.300 . 2 . . . . 72 LEU CD2 . 10211 1 838 . 1 1 72 72 LEU HD21 H 1 0.619 0.030 . 1 . . . . 72 LEU HD2 . 10211 1 839 . 1 1 72 72 LEU HD22 H 1 0.619 0.030 . 1 . . . . 72 LEU HD2 . 10211 1 840 . 1 1 72 72 LEU HD23 H 1 0.619 0.030 . 1 . . . . 72 LEU HD2 . 10211 1 841 . 1 1 72 72 LEU C C 13 175.893 0.300 . 1 . . . . 72 LEU C . 10211 1 842 . 1 1 73 73 VAL N N 15 116.343 0.300 . 1 . . . . 73 VAL N . 10211 1 843 . 1 1 73 73 VAL H H 1 8.610 0.030 . 1 . . . . 73 VAL H . 10211 1 844 . 1 1 73 73 VAL CA C 13 59.707 0.300 . 1 . . . . 73 VAL CA . 10211 1 845 . 1 1 73 73 VAL HA H 1 4.601 0.030 . 1 . . . . 73 VAL HA . 10211 1 846 . 1 1 73 73 VAL CB C 13 35.811 0.300 . 1 . . . . 73 VAL CB . 10211 1 847 . 1 1 73 73 VAL HB H 1 1.995 0.030 . 1 . . . . 73 VAL HB . 10211 1 848 . 1 1 73 73 VAL CG1 C 13 20.498 0.300 . 2 . . . . 73 VAL CG1 . 10211 1 849 . 1 1 73 73 VAL HG11 H 1 0.976 0.030 . 1 . . . . 73 VAL HG1 . 10211 1 850 . 1 1 73 73 VAL HG12 H 1 0.976 0.030 . 1 . . . . 73 VAL HG1 . 10211 1 851 . 1 1 73 73 VAL HG13 H 1 0.976 0.030 . 1 . . . . 73 VAL HG1 . 10211 1 852 . 1 1 73 73 VAL CG2 C 13 20.834 0.300 . 2 . . . . 73 VAL CG2 . 10211 1 853 . 1 1 73 73 VAL HG21 H 1 0.872 0.030 . 1 . . . . 73 VAL HG2 . 10211 1 854 . 1 1 73 73 VAL HG22 H 1 0.872 0.030 . 1 . . . . 73 VAL HG2 . 10211 1 855 . 1 1 73 73 VAL HG23 H 1 0.872 0.030 . 1 . . . . 73 VAL HG2 . 10211 1 856 . 1 1 73 73 VAL C C 13 174.186 0.300 . 1 . . . . 73 VAL C . 10211 1 857 . 1 1 74 74 GLU N N 15 124.925 0.300 . 1 . . . . 74 GLU N . 10211 1 858 . 1 1 74 74 GLU H H 1 8.845 0.030 . 1 . . . . 74 GLU H . 10211 1 859 . 1 1 74 74 GLU CA C 13 57.745 0.300 . 1 . . . . 74 GLU CA . 10211 1 860 . 1 1 74 74 GLU HA H 1 4.363 0.030 . 1 . . . . 74 GLU HA . 10211 1 861 . 1 1 74 74 GLU CB C 13 30.164 0.300 . 1 . . . . 74 GLU CB . 10211 1 862 . 1 1 74 74 GLU HB2 H 1 2.010 0.030 . 2 . . . . 74 GLU HB2 . 10211 1 863 . 1 1 74 74 GLU HB3 H 1 1.958 0.030 . 2 . . . . 74 GLU HB3 . 10211 1 864 . 1 1 74 74 GLU CG C 13 36.844 0.300 . 1 . . . . 74 GLU CG . 10211 1 865 . 1 1 74 74 GLU HG2 H 1 2.198 0.030 . 2 . . . . 74 GLU HG2 . 10211 1 866 . 1 1 74 74 GLU HG3 H 1 2.290 0.030 . 2 . . . . 74 GLU HG3 . 10211 1 867 . 1 1 74 74 GLU C C 13 176.322 0.300 . 1 . . . . 74 GLU C . 10211 1 868 . 1 1 75 75 LYS N N 15 125.959 0.300 . 1 . . . . 75 LYS N . 10211 1 869 . 1 1 75 75 LYS H H 1 8.556 0.030 . 1 . . . . 75 LYS H . 10211 1 870 . 1 1 75 75 LYS CA C 13 57.115 0.300 . 1 . . . . 75 LYS CA . 10211 1 871 . 1 1 75 75 LYS HA H 1 4.157 0.030 . 1 . . . . 75 LYS HA . 10211 1 872 . 1 1 75 75 LYS CB C 13 33.626 0.300 . 1 . . . . 75 LYS CB . 10211 1 873 . 1 1 75 75 LYS HB2 H 1 1.402 0.030 . 2 . . . . 75 LYS HB2 . 10211 1 874 . 1 1 75 75 LYS HB3 H 1 1.782 0.030 . 2 . . . . 75 LYS HB3 . 10211 1 875 . 1 1 75 75 LYS CG C 13 25.478 0.300 . 1 . . . . 75 LYS CG . 10211 1 876 . 1 1 75 75 LYS HG2 H 1 1.346 0.030 . 1 . . . . 75 LYS HG2 . 10211 1 877 . 1 1 75 75 LYS HG3 H 1 1.346 0.030 . 1 . . . . 75 LYS HG3 . 10211 1 878 . 1 1 75 75 LYS CD C 13 30.011 0.300 . 1 . . . . 75 LYS CD . 10211 1 879 . 1 1 75 75 LYS HD2 H 1 1.540 0.030 . 1 . . . . 75 LYS HD2 . 10211 1 880 . 1 1 75 75 LYS HD3 H 1 1.540 0.030 . 1 . . . . 75 LYS HD3 . 10211 1 881 . 1 1 75 75 LYS CE C 13 42.168 0.300 . 1 . . . . 75 LYS CE . 10211 1 882 . 1 1 75 75 LYS HE2 H 1 2.912 0.030 . 1 . . . . 75 LYS HE2 . 10211 1 883 . 1 1 75 75 LYS HE3 H 1 2.912 0.030 . 1 . . . . 75 LYS HE3 . 10211 1 884 . 1 1 75 75 LYS C C 13 175.944 0.300 . 1 . . . . 75 LYS C . 10211 1 885 . 1 1 76 76 SER N N 15 121.519 0.300 . 1 . . . . 76 SER N . 10211 1 886 . 1 1 76 76 SER H H 1 8.576 0.030 . 1 . . . . 76 SER H . 10211 1 887 . 1 1 76 76 SER CA C 13 56.205 0.300 . 1 . . . . 76 SER CA . 10211 1 888 . 1 1 76 76 SER HA H 1 4.809 0.030 . 1 . . . . 76 SER HA . 10211 1 889 . 1 1 76 76 SER CB C 13 63.582 0.300 . 1 . . . . 76 SER CB . 10211 1 890 . 1 1 76 76 SER HB2 H 1 3.862 0.030 . 2 . . . . 76 SER HB2 . 10211 1 891 . 1 1 76 76 SER C C 13 172.875 0.300 . 1 . . . . 76 SER C . 10211 1 892 . 1 1 77 77 PRO CA C 13 63.453 0.300 . 1 . . . . 77 PRO CA . 10211 1 893 . 1 1 77 77 PRO HA H 1 4.434 0.030 . 1 . . . . 77 PRO HA . 10211 1 894 . 1 1 77 77 PRO CB C 13 32.104 0.300 . 1 . . . . 77 PRO CB . 10211 1 895 . 1 1 77 77 PRO HB2 H 1 1.911 0.030 . 2 . . . . 77 PRO HB2 . 10211 1 896 . 1 1 77 77 PRO HB3 H 1 2.290 0.030 . 2 . . . . 77 PRO HB3 . 10211 1 897 . 1 1 77 77 PRO CG C 13 27.235 0.300 . 1 . . . . 77 PRO CG . 10211 1 898 . 1 1 77 77 PRO HG2 H 1 2.010 0.030 . 1 . . . . 77 PRO HG2 . 10211 1 899 . 1 1 77 77 PRO HG3 H 1 2.010 0.030 . 1 . . . . 77 PRO HG3 . 10211 1 900 . 1 1 77 77 PRO CD C 13 50.845 0.300 . 1 . . . . 77 PRO CD . 10211 1 901 . 1 1 77 77 PRO HD2 H 1 3.803 0.030 . 2 . . . . 77 PRO HD2 . 10211 1 902 . 1 1 77 77 PRO HD3 H 1 3.726 0.030 . 2 . . . . 77 PRO HD3 . 10211 1 903 . 1 1 77 77 PRO C C 13 176.734 0.300 . 1 . . . . 77 PRO C . 10211 1 904 . 1 1 78 78 ASN N N 15 118.087 0.300 . 1 . . . . 78 ASN N . 10211 1 905 . 1 1 78 78 ASN H H 1 8.434 0.030 . 1 . . . . 78 ASN H . 10211 1 906 . 1 1 78 78 ASN CA C 13 53.314 0.300 . 1 . . . . 78 ASN CA . 10211 1 907 . 1 1 78 78 ASN HA H 1 4.653 0.030 . 1 . . . . 78 ASN HA . 10211 1 908 . 1 1 78 78 ASN CB C 13 38.823 0.300 . 1 . . . . 78 ASN CB . 10211 1 909 . 1 1 78 78 ASN HB2 H 1 2.803 0.030 . 2 . . . . 78 ASN HB2 . 10211 1 910 . 1 1 78 78 ASN HB3 H 1 2.705 0.030 . 2 . . . . 78 ASN HB3 . 10211 1 911 . 1 1 78 78 ASN ND2 N 15 113.007 0.300 . 1 . . . . 78 ASN ND2 . 10211 1 912 . 1 1 78 78 ASN HD21 H 1 7.608 0.030 . 2 . . . . 78 ASN HD21 . 10211 1 913 . 1 1 78 78 ASN HD22 H 1 6.917 0.030 . 2 . . . . 78 ASN HD22 . 10211 1 914 . 1 1 78 78 ASN C C 13 174.985 0.300 . 1 . . . . 78 ASN C . 10211 1 915 . 1 1 79 79 ASN N N 15 119.198 0.300 . 1 . . . . 79 ASN N . 10211 1 916 . 1 1 79 79 ASN H H 1 8.312 0.030 . 1 . . . . 79 ASN H . 10211 1 917 . 1 1 79 79 ASN CA C 13 53.379 0.300 . 1 . . . . 79 ASN CA . 10211 1 918 . 1 1 79 79 ASN HA H 1 4.696 0.030 . 1 . . . . 79 ASN HA . 10211 1 919 . 1 1 79 79 ASN CB C 13 38.827 0.300 . 1 . . . . 79 ASN CB . 10211 1 920 . 1 1 79 79 ASN HB2 H 1 2.798 0.030 . 2 . . . . 79 ASN HB2 . 10211 1 921 . 1 1 79 79 ASN HB3 H 1 2.713 0.030 . 2 . . . . 79 ASN HB3 . 10211 1 922 . 1 1 79 79 ASN ND2 N 15 112.656 0.300 . 1 . . . . 79 ASN ND2 . 10211 1 923 . 1 1 79 79 ASN HD21 H 1 7.541 0.030 . 2 . . . . 79 ASN HD21 . 10211 1 924 . 1 1 79 79 ASN HD22 H 1 6.869 0.030 . 2 . . . . 79 ASN HD22 . 10211 1 925 . 1 1 79 79 ASN C C 13 175.132 0.300 . 1 . . . . 79 ASN C . 10211 1 926 . 1 1 80 80 LEU N N 15 122.154 0.300 . 1 . . . . 80 LEU N . 10211 1 927 . 1 1 80 80 LEU H H 1 8.195 0.030 . 1 . . . . 80 LEU H . 10211 1 928 . 1 1 80 80 LEU CA C 13 55.523 0.300 . 1 . . . . 80 LEU CA . 10211 1 929 . 1 1 80 80 LEU HA H 1 4.305 0.030 . 1 . . . . 80 LEU HA . 10211 1 930 . 1 1 80 80 LEU CB C 13 42.304 0.300 . 1 . . . . 80 LEU CB . 10211 1 931 . 1 1 80 80 LEU HB2 H 1 1.633 0.030 . 2 . . . . 80 LEU HB2 . 10211 1 932 . 1 1 80 80 LEU HB3 H 1 1.585 0.030 . 2 . . . . 80 LEU HB3 . 10211 1 933 . 1 1 80 80 LEU CG C 13 26.969 0.300 . 1 . . . . 80 LEU CG . 10211 1 934 . 1 1 80 80 LEU HG H 1 1.591 0.030 . 1 . . . . 80 LEU HG . 10211 1 935 . 1 1 80 80 LEU CD1 C 13 25.066 0.300 . 2 . . . . 80 LEU CD1 . 10211 1 936 . 1 1 80 80 LEU HD11 H 1 0.896 0.030 . 1 . . . . 80 LEU HD1 . 10211 1 937 . 1 1 80 80 LEU HD12 H 1 0.896 0.030 . 1 . . . . 80 LEU HD1 . 10211 1 938 . 1 1 80 80 LEU HD13 H 1 0.896 0.030 . 1 . . . . 80 LEU HD1 . 10211 1 939 . 1 1 80 80 LEU CD2 C 13 23.382 0.300 . 2 . . . . 80 LEU CD2 . 10211 1 940 . 1 1 80 80 LEU HD21 H 1 0.832 0.030 . 1 . . . . 80 LEU HD2 . 10211 1 941 . 1 1 80 80 LEU HD22 H 1 0.832 0.030 . 1 . . . . 80 LEU HD2 . 10211 1 942 . 1 1 80 80 LEU HD23 H 1 0.832 0.030 . 1 . . . . 80 LEU HD2 . 10211 1 943 . 1 1 80 80 LEU C C 13 177.461 0.300 . 1 . . . . 80 LEU C . 10211 1 944 . 1 1 81 81 GLU N N 15 121.156 0.300 . 1 . . . . 81 GLU N . 10211 1 945 . 1 1 81 81 GLU H H 1 8.341 0.030 . 1 . . . . 81 GLU H . 10211 1 946 . 1 1 81 81 GLU CA C 13 56.665 0.300 . 1 . . . . 81 GLU CA . 10211 1 947 . 1 1 81 81 GLU HA H 1 4.253 0.030 . 1 . . . . 81 GLU HA . 10211 1 948 . 1 1 81 81 GLU CB C 13 30.219 0.300 . 1 . . . . 81 GLU CB . 10211 1 949 . 1 1 81 81 GLU HB2 H 1 1.892 0.030 . 2 . . . . 81 GLU HB2 . 10211 1 950 . 1 1 81 81 GLU HB3 H 1 1.957 0.030 . 2 . . . . 81 GLU HB3 . 10211 1 951 . 1 1 81 81 GLU CG C 13 36.233 0.300 . 1 . . . . 81 GLU CG . 10211 1 952 . 1 1 81 81 GLU HG2 H 1 2.210 0.030 . 1 . . . . 81 GLU HG2 . 10211 1 953 . 1 1 81 81 GLU HG3 H 1 2.210 0.030 . 1 . . . . 81 GLU HG3 . 10211 1 954 . 1 1 81 81 GLU C C 13 176.365 0.300 . 1 . . . . 81 GLU C . 10211 1 955 . 1 1 82 82 THR N N 15 114.319 0.300 . 1 . . . . 82 THR N . 10211 1 956 . 1 1 82 82 THR H H 1 7.970 0.030 . 1 . . . . 82 THR H . 10211 1 957 . 1 1 82 82 THR CA C 13 61.517 0.300 . 1 . . . . 82 THR CA . 10211 1 958 . 1 1 82 82 THR HA H 1 4.211 0.030 . 1 . . . . 82 THR HA . 10211 1 959 . 1 1 82 82 THR CB C 13 69.881 0.300 . 1 . . . . 82 THR CB . 10211 1 960 . 1 1 82 82 THR HB H 1 4.072 0.030 . 1 . . . . 82 THR HB . 10211 1 961 . 1 1 82 82 THR CG2 C 13 21.445 0.300 . 1 . . . . 82 THR CG2 . 10211 1 962 . 1 1 82 82 THR HG21 H 1 1.051 0.030 . 1 . . . . 82 THR HG2 . 10211 1 963 . 1 1 82 82 THR HG22 H 1 1.051 0.030 . 1 . . . . 82 THR HG2 . 10211 1 964 . 1 1 82 82 THR HG23 H 1 1.051 0.030 . 1 . . . . 82 THR HG2 . 10211 1 965 . 1 1 82 82 THR C C 13 173.812 0.300 . 1 . . . . 82 THR C . 10211 1 966 . 1 1 83 83 TYR N N 15 122.614 0.300 . 1 . . . . 83 TYR N . 10211 1 967 . 1 1 83 83 TYR H H 1 8.076 0.030 . 1 . . . . 83 TYR H . 10211 1 968 . 1 1 83 83 TYR CA C 13 57.640 0.300 . 1 . . . . 83 TYR CA . 10211 1 969 . 1 1 83 83 TYR HA H 1 4.444 0.030 . 1 . . . . 83 TYR HA . 10211 1 970 . 1 1 83 83 TYR CB C 13 38.964 0.300 . 1 . . . . 83 TYR CB . 10211 1 971 . 1 1 83 83 TYR HB2 H 1 2.769 0.030 . 2 . . . . 83 TYR HB2 . 10211 1 972 . 1 1 83 83 TYR HB3 H 1 2.721 0.030 . 2 . . . . 83 TYR HB3 . 10211 1 973 . 1 1 83 83 TYR CD1 C 13 133.114 0.300 . 1 . . . . 83 TYR CD1 . 10211 1 974 . 1 1 83 83 TYR HD1 H 1 6.898 0.030 . 1 . . . . 83 TYR HD1 . 10211 1 975 . 1 1 83 83 TYR CD2 C 13 133.114 0.300 . 1 . . . . 83 TYR CD2 . 10211 1 976 . 1 1 83 83 TYR HD2 H 1 6.898 0.030 . 1 . . . . 83 TYR HD2 . 10211 1 977 . 1 1 83 83 TYR CE1 C 13 118.158 0.300 . 1 . . . . 83 TYR CE1 . 10211 1 978 . 1 1 83 83 TYR HE1 H 1 6.670 0.030 . 1 . . . . 83 TYR HE1 . 10211 1 979 . 1 1 83 83 TYR CE2 C 13 118.158 0.300 . 1 . . . . 83 TYR CE2 . 10211 1 980 . 1 1 83 83 TYR HE2 H 1 6.670 0.030 . 1 . . . . 83 TYR HE2 . 10211 1 981 . 1 1 83 83 TYR C C 13 175.115 0.300 . 1 . . . . 83 TYR C . 10211 1 982 . 1 1 84 84 GLU N N 15 122.790 0.300 . 1 . . . . 84 GLU N . 10211 1 983 . 1 1 84 84 GLU H H 1 7.995 0.030 . 1 . . . . 84 GLU H . 10211 1 984 . 1 1 84 84 GLU CA C 13 56.097 0.300 . 1 . . . . 84 GLU CA . 10211 1 985 . 1 1 84 84 GLU HA H 1 4.227 0.030 . 1 . . . . 84 GLU HA . 10211 1 986 . 1 1 84 84 GLU CB C 13 30.506 0.300 . 1 . . . . 84 GLU CB . 10211 1 987 . 1 1 84 84 GLU HB2 H 1 1.712 0.030 . 2 . . . . 84 GLU HB2 . 10211 1 988 . 1 1 84 84 GLU HB3 H 1 1.895 0.030 . 2 . . . . 84 GLU HB3 . 10211 1 989 . 1 1 84 84 GLU CG C 13 36.275 0.300 . 1 . . . . 84 GLU CG . 10211 1 990 . 1 1 84 84 GLU HG2 H 1 2.098 0.030 . 2 . . . . 84 GLU HG2 . 10211 1 991 . 1 1 84 84 GLU HG3 H 1 2.043 0.030 . 2 . . . . 84 GLU HG3 . 10211 1 992 . 1 1 84 84 GLU C C 13 174.707 0.300 . 1 . . . . 84 GLU C . 10211 1 993 . 1 1 85 85 TRP N N 15 127.450 0.300 . 1 . . . . 85 TRP N . 10211 1 994 . 1 1 85 85 TRP H H 1 7.553 0.030 . 1 . . . . 85 TRP H . 10211 1 995 . 1 1 85 85 TRP CA C 13 58.534 0.300 . 1 . . . . 85 TRP CA . 10211 1 996 . 1 1 85 85 TRP HA H 1 4.453 0.030 . 1 . . . . 85 TRP HA . 10211 1 997 . 1 1 85 85 TRP CB C 13 30.183 0.300 . 1 . . . . 85 TRP CB . 10211 1 998 . 1 1 85 85 TRP HB2 H 1 3.317 0.030 . 2 . . . . 85 TRP HB2 . 10211 1 999 . 1 1 85 85 TRP HB3 H 1 3.109 0.030 . 2 . . . . 85 TRP HB3 . 10211 1 1000 . 1 1 85 85 TRP CD1 C 13 126.999 0.300 . 1 . . . . 85 TRP CD1 . 10211 1 1001 . 1 1 85 85 TRP HD1 H 1 7.163 0.030 . 1 . . . . 85 TRP HD1 . 10211 1 1002 . 1 1 85 85 TRP CE3 C 13 121.221 0.300 . 1 . . . . 85 TRP CE3 . 10211 1 1003 . 1 1 85 85 TRP HE3 H 1 7.637 0.030 . 1 . . . . 85 TRP HE3 . 10211 1 1004 . 1 1 85 85 TRP CZ2 C 13 114.410 0.300 . 1 . . . . 85 TRP CZ2 . 10211 1 1005 . 1 1 85 85 TRP HZ2 H 1 7.335 0.030 . 1 . . . . 85 TRP HZ2 . 10211 1 1006 . 1 1 85 85 TRP CZ3 C 13 121.777 0.300 . 1 . . . . 85 TRP CZ3 . 10211 1 1007 . 1 1 85 85 TRP HZ3 H 1 7.098 0.030 . 1 . . . . 85 TRP HZ3 . 10211 1 1008 . 1 1 85 85 TRP CH2 C 13 124.407 0.300 . 1 . . . . 85 TRP CH2 . 10211 1 1009 . 1 1 85 85 TRP HH2 H 1 7.130 0.030 . 1 . . . . 85 TRP HH2 . 10211 1 1010 . 1 1 85 85 TRP C C 13 180.969 0.300 . 1 . . . . 85 TRP C . 10211 1 stop_ save_