data_11232 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11232 _Entry.Title ; Solution structure of the PKD domain (329-428) from human KIAA0319 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 X. Qin . . . 11232 2 T. Nagashima . . . 11232 3 F. Hayashi . . . 11232 4 S. Yokoyama . . . 11232 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11232 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11232 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 475 11232 '15N chemical shifts' 107 11232 '1H chemical shifts' 750 11232 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 . . 2011-08-03 2010-07-23 original author . 11232 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E7M 'BMRB Entry Tracking System' 11232 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11232 _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 PKD domain (329-428) from human KIAA0319' _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 X. Qin . . . 11232 1 2 T. Nagashima . . . 11232 1 3 F. Hayashi . . . 11232 1 4 S. Yokoyama . . . 11232 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11232 _Assembly.ID 1 _Assembly.Name 'Protein KIAA0319' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PKD domain' 1 $entity_1 A . yes native no no . . . 11232 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2e7m . . . . . . 11232 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11232 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PKD domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPRTVKELTVSAGD NLIITLPDNEVELKAFVAPA PPVETTYNYEWNLISHPTDY QGEIKQGHKQTLNLSQLSVG LYVFKVTVSSENAFGEGFVN VTVKPARSGPSSG ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2E7M . "Solution Structure Of The Pkd Domain (329-428) From Human Kiaa0319" . . . . . 100.00 113 100.00 100.00 1.60e-74 . . . . 11232 1 2 no REF XP_009448870 . "PREDICTED: dyslexia-associated protein KIAA0319 homolog isoform X7 [Pan troglodytes]" . . . . . 81.42 737 98.91 100.00 5.16e-54 . . . . 11232 1 3 no REF XP_011513329 . "PREDICTED: dyslexia-associated protein KIAA0319 isoform X5 [Homo sapiens]" . . . . . 58.41 717 98.48 100.00 4.84e-36 . . . . 11232 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PKD domain' . 11232 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 . 11232 1 2 . SER . 11232 1 3 . SER . 11232 1 4 . GLY . 11232 1 5 . SER . 11232 1 6 . SER . 11232 1 7 . GLY . 11232 1 8 . PRO . 11232 1 9 . ARG . 11232 1 10 . THR . 11232 1 11 . VAL . 11232 1 12 . LYS . 11232 1 13 . GLU . 11232 1 14 . LEU . 11232 1 15 . THR . 11232 1 16 . VAL . 11232 1 17 . SER . 11232 1 18 . ALA . 11232 1 19 . GLY . 11232 1 20 . ASP . 11232 1 21 . ASN . 11232 1 22 . LEU . 11232 1 23 . ILE . 11232 1 24 . ILE . 11232 1 25 . THR . 11232 1 26 . LEU . 11232 1 27 . PRO . 11232 1 28 . ASP . 11232 1 29 . ASN . 11232 1 30 . GLU . 11232 1 31 . VAL . 11232 1 32 . GLU . 11232 1 33 . LEU . 11232 1 34 . LYS . 11232 1 35 . ALA . 11232 1 36 . PHE . 11232 1 37 . VAL . 11232 1 38 . ALA . 11232 1 39 . PRO . 11232 1 40 . ALA . 11232 1 41 . PRO . 11232 1 42 . PRO . 11232 1 43 . VAL . 11232 1 44 . GLU . 11232 1 45 . THR . 11232 1 46 . THR . 11232 1 47 . TYR . 11232 1 48 . ASN . 11232 1 49 . TYR . 11232 1 50 . GLU . 11232 1 51 . TRP . 11232 1 52 . ASN . 11232 1 53 . LEU . 11232 1 54 . ILE . 11232 1 55 . SER . 11232 1 56 . HIS . 11232 1 57 . PRO . 11232 1 58 . THR . 11232 1 59 . ASP . 11232 1 60 . TYR . 11232 1 61 . GLN . 11232 1 62 . GLY . 11232 1 63 . GLU . 11232 1 64 . ILE . 11232 1 65 . LYS . 11232 1 66 . GLN . 11232 1 67 . GLY . 11232 1 68 . HIS . 11232 1 69 . LYS . 11232 1 70 . GLN . 11232 1 71 . THR . 11232 1 72 . LEU . 11232 1 73 . ASN . 11232 1 74 . LEU . 11232 1 75 . SER . 11232 1 76 . GLN . 11232 1 77 . LEU . 11232 1 78 . SER . 11232 1 79 . VAL . 11232 1 80 . GLY . 11232 1 81 . LEU . 11232 1 82 . TYR . 11232 1 83 . VAL . 11232 1 84 . PHE . 11232 1 85 . LYS . 11232 1 86 . VAL . 11232 1 87 . THR . 11232 1 88 . VAL . 11232 1 89 . SER . 11232 1 90 . SER . 11232 1 91 . GLU . 11232 1 92 . ASN . 11232 1 93 . ALA . 11232 1 94 . PHE . 11232 1 95 . GLY . 11232 1 96 . GLU . 11232 1 97 . GLY . 11232 1 98 . PHE . 11232 1 99 . VAL . 11232 1 100 . ASN . 11232 1 101 . VAL . 11232 1 102 . THR . 11232 1 103 . VAL . 11232 1 104 . LYS . 11232 1 105 . PRO . 11232 1 106 . ALA . 11232 1 107 . ARG . 11232 1 108 . SER . 11232 1 109 . GLY . 11232 1 110 . PRO . 11232 1 111 . SER . 11232 1 112 . SER . 11232 1 113 . GLY . 11232 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 11232 1 . SER 2 2 11232 1 . SER 3 3 11232 1 . GLY 4 4 11232 1 . SER 5 5 11232 1 . SER 6 6 11232 1 . GLY 7 7 11232 1 . PRO 8 8 11232 1 . ARG 9 9 11232 1 . THR 10 10 11232 1 . VAL 11 11 11232 1 . LYS 12 12 11232 1 . GLU 13 13 11232 1 . LEU 14 14 11232 1 . THR 15 15 11232 1 . VAL 16 16 11232 1 . SER 17 17 11232 1 . ALA 18 18 11232 1 . GLY 19 19 11232 1 . ASP 20 20 11232 1 . ASN 21 21 11232 1 . LEU 22 22 11232 1 . ILE 23 23 11232 1 . ILE 24 24 11232 1 . THR 25 25 11232 1 . LEU 26 26 11232 1 . PRO 27 27 11232 1 . ASP 28 28 11232 1 . ASN 29 29 11232 1 . GLU 30 30 11232 1 . VAL 31 31 11232 1 . GLU 32 32 11232 1 . LEU 33 33 11232 1 . LYS 34 34 11232 1 . ALA 35 35 11232 1 . PHE 36 36 11232 1 . VAL 37 37 11232 1 . ALA 38 38 11232 1 . PRO 39 39 11232 1 . ALA 40 40 11232 1 . PRO 41 41 11232 1 . PRO 42 42 11232 1 . VAL 43 43 11232 1 . GLU 44 44 11232 1 . THR 45 45 11232 1 . THR 46 46 11232 1 . TYR 47 47 11232 1 . ASN 48 48 11232 1 . TYR 49 49 11232 1 . GLU 50 50 11232 1 . TRP 51 51 11232 1 . ASN 52 52 11232 1 . LEU 53 53 11232 1 . ILE 54 54 11232 1 . SER 55 55 11232 1 . HIS 56 56 11232 1 . PRO 57 57 11232 1 . THR 58 58 11232 1 . ASP 59 59 11232 1 . TYR 60 60 11232 1 . GLN 61 61 11232 1 . GLY 62 62 11232 1 . GLU 63 63 11232 1 . ILE 64 64 11232 1 . LYS 65 65 11232 1 . GLN 66 66 11232 1 . GLY 67 67 11232 1 . HIS 68 68 11232 1 . LYS 69 69 11232 1 . GLN 70 70 11232 1 . THR 71 71 11232 1 . LEU 72 72 11232 1 . ASN 73 73 11232 1 . LEU 74 74 11232 1 . SER 75 75 11232 1 . GLN 76 76 11232 1 . LEU 77 77 11232 1 . SER 78 78 11232 1 . VAL 79 79 11232 1 . GLY 80 80 11232 1 . LEU 81 81 11232 1 . TYR 82 82 11232 1 . VAL 83 83 11232 1 . PHE 84 84 11232 1 . LYS 85 85 11232 1 . VAL 86 86 11232 1 . THR 87 87 11232 1 . VAL 88 88 11232 1 . SER 89 89 11232 1 . SER 90 90 11232 1 . GLU 91 91 11232 1 . ASN 92 92 11232 1 . ALA 93 93 11232 1 . PHE 94 94 11232 1 . GLY 95 95 11232 1 . GLU 96 96 11232 1 . GLY 97 97 11232 1 . PHE 98 98 11232 1 . VAL 99 99 11232 1 . ASN 100 100 11232 1 . VAL 101 101 11232 1 . THR 102 102 11232 1 . VAL 103 103 11232 1 . LYS 104 104 11232 1 . PRO 105 105 11232 1 . ALA 106 106 11232 1 . ARG 107 107 11232 1 . SER 108 108 11232 1 . GLY 109 109 11232 1 . PRO 110 110 11232 1 . SER 111 111 11232 1 . SER 112 112 11232 1 . GLY 113 113 11232 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 11232 _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 . . . . . . . . . . . . . . . . . . . . . 11232 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 11232 _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' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P051121-06 . . . . . . 11232 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11232 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.16mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% {H2O;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PKD domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.16 . . mM . . . . 11232 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11232 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11232 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11232 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11232 1 6 H2O . . . . . . solvent 90 . . % . . . . 11232 1 7 D2O . . . . . . solvent 10 . . % . . . . 11232 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 11232 _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 11232 1 pH 7.0 0.05 pH 11232 1 pressure 1 0.001 atm 11232 1 temperature 298 0.1 K 11232 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11232 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11232 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11232 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11232 _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.' . . 11232 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11232 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11232 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11232 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11232 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11232 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11232 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11232 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11232 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11232 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11232 5 'structure solution' 11232 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 11232 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11232 _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 Varian INOVA . 800 . . . 11232 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 11232 _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 . . . . . . . . . . . . . . . . 11232 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11232 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 11232 _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 . . . . . . . . . 11232 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11232 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11232 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 11232 _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 11232 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11232 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11232 1 2 $NMRPipe . . 11232 1 3 $NMRView . . 11232 1 4 $Kujira . . 11232 1 5 $CYANA . . 11232 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.530 0.030 . 1 . . . . 6 SER HA . 11232 1 2 . 1 1 6 6 SER HB2 H 1 3.883 0.030 . 1 . . . . 6 SER HB2 . 11232 1 3 . 1 1 6 6 SER HB3 H 1 3.883 0.030 . 1 . . . . 6 SER HB3 . 11232 1 4 . 1 1 6 6 SER C C 13 174.491 0.300 . 1 . . . . 6 SER C . 11232 1 5 . 1 1 6 6 SER CA C 13 58.331 0.300 . 1 . . . . 6 SER CA . 11232 1 6 . 1 1 6 6 SER CB C 13 63.924 0.300 . 1 . . . . 6 SER CB . 11232 1 7 . 1 1 7 7 GLY H H 1 8.222 0.030 . 1 . . . . 7 GLY H . 11232 1 8 . 1 1 7 7 GLY HA2 H 1 4.119 0.030 . 1 . . . . 7 GLY HA2 . 11232 1 9 . 1 1 7 7 GLY HA3 H 1 4.119 0.030 . 1 . . . . 7 GLY HA3 . 11232 1 10 . 1 1 7 7 GLY C C 13 171.731 0.300 . 1 . . . . 7 GLY C . 11232 1 11 . 1 1 7 7 GLY CA C 13 44.576 0.300 . 1 . . . . 7 GLY CA . 11232 1 12 . 1 1 7 7 GLY N N 15 110.677 0.300 . 1 . . . . 7 GLY N . 11232 1 13 . 1 1 8 8 PRO HA H 1 4.429 0.030 . 1 . . . . 8 PRO HA . 11232 1 14 . 1 1 8 8 PRO HB2 H 1 1.907 0.030 . 2 . . . . 8 PRO HB2 . 11232 1 15 . 1 1 8 8 PRO HB3 H 1 2.268 0.030 . 2 . . . . 8 PRO HB3 . 11232 1 16 . 1 1 8 8 PRO HD2 H 1 3.614 0.030 . 1 . . . . 8 PRO HD2 . 11232 1 17 . 1 1 8 8 PRO HD3 H 1 3.614 0.030 . 1 . . . . 8 PRO HD3 . 11232 1 18 . 1 1 8 8 PRO HG2 H 1 2.007 0.030 . 1 . . . . 8 PRO HG2 . 11232 1 19 . 1 1 8 8 PRO HG3 H 1 2.007 0.030 . 1 . . . . 8 PRO HG3 . 11232 1 20 . 1 1 8 8 PRO C C 13 177.023 0.300 . 1 . . . . 8 PRO C . 11232 1 21 . 1 1 8 8 PRO CA C 13 63.078 0.300 . 1 . . . . 8 PRO CA . 11232 1 22 . 1 1 8 8 PRO CB C 13 32.178 0.300 . 1 . . . . 8 PRO CB . 11232 1 23 . 1 1 8 8 PRO CD C 13 49.720 0.300 . 1 . . . . 8 PRO CD . 11232 1 24 . 1 1 8 8 PRO CG C 13 27.142 0.300 . 1 . . . . 8 PRO CG . 11232 1 25 . 1 1 9 9 ARG H H 1 8.461 0.030 . 1 . . . . 9 ARG H . 11232 1 26 . 1 1 9 9 ARG HA H 1 4.404 0.030 . 1 . . . . 9 ARG HA . 11232 1 27 . 1 1 9 9 ARG HB2 H 1 1.767 0.030 . 2 . . . . 9 ARG HB2 . 11232 1 28 . 1 1 9 9 ARG HB3 H 1 1.858 0.030 . 2 . . . . 9 ARG HB3 . 11232 1 29 . 1 1 9 9 ARG HD2 H 1 3.194 0.030 . 1 . . . . 9 ARG HD2 . 11232 1 30 . 1 1 9 9 ARG HD3 H 1 3.194 0.030 . 1 . . . . 9 ARG HD3 . 11232 1 31 . 1 1 9 9 ARG HG2 H 1 1.598 0.030 . 2 . . . . 9 ARG HG2 . 11232 1 32 . 1 1 9 9 ARG HG3 H 1 1.657 0.030 . 2 . . . . 9 ARG HG3 . 11232 1 33 . 1 1 9 9 ARG C C 13 176.384 0.300 . 1 . . . . 9 ARG C . 11232 1 34 . 1 1 9 9 ARG CA C 13 55.892 0.300 . 1 . . . . 9 ARG CA . 11232 1 35 . 1 1 9 9 ARG CB C 13 30.799 0.300 . 1 . . . . 9 ARG CB . 11232 1 36 . 1 1 9 9 ARG CD C 13 43.322 0.300 . 1 . . . . 9 ARG CD . 11232 1 37 . 1 1 9 9 ARG CG C 13 27.110 0.300 . 1 . . . . 9 ARG CG . 11232 1 38 . 1 1 9 9 ARG N N 15 121.439 0.300 . 1 . . . . 9 ARG N . 11232 1 39 . 1 1 10 10 THR H H 1 8.274 0.030 . 1 . . . . 10 THR H . 11232 1 40 . 1 1 10 10 THR HA H 1 4.334 0.030 . 1 . . . . 10 THR HA . 11232 1 41 . 1 1 10 10 THR HB H 1 4.145 0.030 . 1 . . . . 10 THR HB . 11232 1 42 . 1 1 10 10 THR HG21 H 1 1.175 0.030 . 1 . . . . 10 THR HG2 . 11232 1 43 . 1 1 10 10 THR HG22 H 1 1.175 0.030 . 1 . . . . 10 THR HG2 . 11232 1 44 . 1 1 10 10 THR HG23 H 1 1.175 0.030 . 1 . . . . 10 THR HG2 . 11232 1 45 . 1 1 10 10 THR C C 13 174.099 0.300 . 1 . . . . 10 THR C . 11232 1 46 . 1 1 10 10 THR CA C 13 61.909 0.300 . 1 . . . . 10 THR CA . 11232 1 47 . 1 1 10 10 THR CB C 13 69.772 0.300 . 1 . . . . 10 THR CB . 11232 1 48 . 1 1 10 10 THR CG2 C 13 21.586 0.300 . 1 . . . . 10 THR CG2 . 11232 1 49 . 1 1 10 10 THR N N 15 116.962 0.300 . 1 . . . . 10 THR N . 11232 1 50 . 1 1 11 11 VAL H H 1 8.130 0.030 . 1 . . . . 11 VAL H . 11232 1 51 . 1 1 11 11 VAL HA H 1 4.071 0.030 . 1 . . . . 11 VAL HA . 11232 1 52 . 1 1 11 11 VAL HB H 1 1.923 0.030 . 1 . . . . 11 VAL HB . 11232 1 53 . 1 1 11 11 VAL HG11 H 1 0.866 0.030 . 1 . . . . 11 VAL HG1 . 11232 1 54 . 1 1 11 11 VAL HG12 H 1 0.866 0.030 . 1 . . . . 11 VAL HG1 . 11232 1 55 . 1 1 11 11 VAL HG13 H 1 0.866 0.030 . 1 . . . . 11 VAL HG1 . 11232 1 56 . 1 1 11 11 VAL HG21 H 1 0.832 0.030 . 1 . . . . 11 VAL HG2 . 11232 1 57 . 1 1 11 11 VAL HG22 H 1 0.832 0.030 . 1 . . . . 11 VAL HG2 . 11232 1 58 . 1 1 11 11 VAL HG23 H 1 0.832 0.030 . 1 . . . . 11 VAL HG2 . 11232 1 59 . 1 1 11 11 VAL C C 13 175.706 0.300 . 1 . . . . 11 VAL C . 11232 1 60 . 1 1 11 11 VAL CA C 13 61.593 0.300 . 1 . . . . 11 VAL CA . 11232 1 61 . 1 1 11 11 VAL CB C 13 33.212 0.300 . 1 . . . . 11 VAL CB . 11232 1 62 . 1 1 11 11 VAL CG1 C 13 20.634 0.300 . 2 . . . . 11 VAL CG1 . 11232 1 63 . 1 1 11 11 VAL CG2 C 13 21.337 0.300 . 2 . . . . 11 VAL CG2 . 11232 1 64 . 1 1 11 11 VAL N N 15 122.986 0.300 . 1 . . . . 11 VAL N . 11232 1 65 . 1 1 12 12 LYS H H 1 8.477 0.030 . 1 . . . . 12 LYS H . 11232 1 66 . 1 1 12 12 LYS HA H 1 4.320 0.030 . 1 . . . . 12 LYS HA . 11232 1 67 . 1 1 12 12 LYS HB2 H 1 1.807 0.030 . 2 . . . . 12 LYS HB2 . 11232 1 68 . 1 1 12 12 LYS HB3 H 1 1.863 0.030 . 2 . . . . 12 LYS HB3 . 11232 1 69 . 1 1 12 12 LYS HD2 H 1 1.686 0.030 . 1 . . . . 12 LYS HD2 . 11232 1 70 . 1 1 12 12 LYS HD3 H 1 1.686 0.030 . 1 . . . . 12 LYS HD3 . 11232 1 71 . 1 1 12 12 LYS HE2 H 1 2.981 0.030 . 1 . . . . 12 LYS HE2 . 11232 1 72 . 1 1 12 12 LYS HE3 H 1 2.981 0.030 . 1 . . . . 12 LYS HE3 . 11232 1 73 . 1 1 12 12 LYS HG2 H 1 1.441 0.030 . 1 . . . . 12 LYS HG2 . 11232 1 74 . 1 1 12 12 LYS HG3 H 1 1.441 0.030 . 1 . . . . 12 LYS HG3 . 11232 1 75 . 1 1 12 12 LYS C C 13 175.316 0.300 . 1 . . . . 12 LYS C . 11232 1 76 . 1 1 12 12 LYS CA C 13 56.012 0.300 . 1 . . . . 12 LYS CA . 11232 1 77 . 1 1 12 12 LYS CB C 13 32.971 0.300 . 1 . . . . 12 LYS CB . 11232 1 78 . 1 1 12 12 LYS CD C 13 28.999 0.300 . 1 . . . . 12 LYS CD . 11232 1 79 . 1 1 12 12 LYS CE C 13 42.059 0.300 . 1 . . . . 12 LYS CE . 11232 1 80 . 1 1 12 12 LYS CG C 13 24.773 0.300 . 1 . . . . 12 LYS CG . 11232 1 81 . 1 1 12 12 LYS N N 15 127.404 0.300 . 1 . . . . 12 LYS N . 11232 1 82 . 1 1 13 13 GLU H H 1 8.490 0.030 . 1 . . . . 13 GLU H . 11232 1 83 . 1 1 13 13 GLU HA H 1 4.686 0.030 . 1 . . . . 13 GLU HA . 11232 1 84 . 1 1 13 13 GLU HB2 H 1 2.032 0.030 . 1 . . . . 13 GLU HB2 . 11232 1 85 . 1 1 13 13 GLU HB3 H 1 2.032 0.030 . 1 . . . . 13 GLU HB3 . 11232 1 86 . 1 1 13 13 GLU HG2 H 1 2.247 0.030 . 2 . . . . 13 GLU HG2 . 11232 1 87 . 1 1 13 13 GLU HG3 H 1 2.383 0.030 . 2 . . . . 13 GLU HG3 . 11232 1 88 . 1 1 13 13 GLU C C 13 176.456 0.300 . 1 . . . . 13 GLU C . 11232 1 89 . 1 1 13 13 GLU CA C 13 56.226 0.300 . 1 . . . . 13 GLU CA . 11232 1 90 . 1 1 13 13 GLU CB C 13 30.557 0.300 . 1 . . . . 13 GLU CB . 11232 1 91 . 1 1 13 13 GLU CG C 13 36.453 0.300 . 1 . . . . 13 GLU CG . 11232 1 92 . 1 1 13 13 GLU N N 15 123.899 0.300 . 1 . . . . 13 GLU N . 11232 1 93 . 1 1 14 14 LEU H H 1 7.929 0.030 . 1 . . . . 14 LEU H . 11232 1 94 . 1 1 14 14 LEU HA H 1 4.615 0.030 . 1 . . . . 14 LEU HA . 11232 1 95 . 1 1 14 14 LEU HB2 H 1 0.848 0.030 . 2 . . . . 14 LEU HB2 . 11232 1 96 . 1 1 14 14 LEU HB3 H 1 0.979 0.030 . 2 . . . . 14 LEU HB3 . 11232 1 97 . 1 1 14 14 LEU HD11 H 1 -0.053 0.030 . 1 . . . . 14 LEU HD1 . 11232 1 98 . 1 1 14 14 LEU HD12 H 1 -0.053 0.030 . 1 . . . . 14 LEU HD1 . 11232 1 99 . 1 1 14 14 LEU HD13 H 1 -0.053 0.030 . 1 . . . . 14 LEU HD1 . 11232 1 100 . 1 1 14 14 LEU HD21 H 1 0.548 0.030 . 1 . . . . 14 LEU HD2 . 11232 1 101 . 1 1 14 14 LEU HD22 H 1 0.548 0.030 . 1 . . . . 14 LEU HD2 . 11232 1 102 . 1 1 14 14 LEU HD23 H 1 0.548 0.030 . 1 . . . . 14 LEU HD2 . 11232 1 103 . 1 1 14 14 LEU HG H 1 1.192 0.030 . 1 . . . . 14 LEU HG . 11232 1 104 . 1 1 14 14 LEU C C 13 176.551 0.300 . 1 . . . . 14 LEU C . 11232 1 105 . 1 1 14 14 LEU CA C 13 52.994 0.300 . 1 . . . . 14 LEU CA . 11232 1 106 . 1 1 14 14 LEU CB C 13 43.409 0.300 . 1 . . . . 14 LEU CB . 11232 1 107 . 1 1 14 14 LEU CD1 C 13 24.510 0.300 . 2 . . . . 14 LEU CD1 . 11232 1 108 . 1 1 14 14 LEU CD2 C 13 22.415 0.300 . 2 . . . . 14 LEU CD2 . 11232 1 109 . 1 1 14 14 LEU CG C 13 26.144 0.300 . 1 . . . . 14 LEU CG . 11232 1 110 . 1 1 14 14 LEU N N 15 125.215 0.300 . 1 . . . . 14 LEU N . 11232 1 111 . 1 1 15 15 THR H H 1 8.968 0.030 . 1 . . . . 15 THR H . 11232 1 112 . 1 1 15 15 THR HA H 1 4.346 0.030 . 1 . . . . 15 THR HA . 11232 1 113 . 1 1 15 15 THR HB H 1 4.195 0.030 . 1 . . . . 15 THR HB . 11232 1 114 . 1 1 15 15 THR HG21 H 1 1.216 0.030 . 1 . . . . 15 THR HG2 . 11232 1 115 . 1 1 15 15 THR HG22 H 1 1.216 0.030 . 1 . . . . 15 THR HG2 . 11232 1 116 . 1 1 15 15 THR HG23 H 1 1.216 0.030 . 1 . . . . 15 THR HG2 . 11232 1 117 . 1 1 15 15 THR C C 13 173.323 0.300 . 1 . . . . 15 THR C . 11232 1 118 . 1 1 15 15 THR CA C 13 62.715 0.300 . 1 . . . . 15 THR CA . 11232 1 119 . 1 1 15 15 THR CB C 13 69.027 0.300 . 1 . . . . 15 THR CB . 11232 1 120 . 1 1 15 15 THR CG2 C 13 21.337 0.300 . 1 . . . . 15 THR CG2 . 11232 1 121 . 1 1 15 15 THR N N 15 120.562 0.300 . 1 . . . . 15 THR N . 11232 1 122 . 1 1 16 16 VAL H H 1 8.905 0.030 . 1 . . . . 16 VAL H . 11232 1 123 . 1 1 16 16 VAL HA H 1 4.623 0.030 . 1 . . . . 16 VAL HA . 11232 1 124 . 1 1 16 16 VAL HB H 1 1.445 0.030 . 1 . . . . 16 VAL HB . 11232 1 125 . 1 1 16 16 VAL HG11 H 1 0.467 0.030 . 1 . . . . 16 VAL HG1 . 11232 1 126 . 1 1 16 16 VAL HG12 H 1 0.467 0.030 . 1 . . . . 16 VAL HG1 . 11232 1 127 . 1 1 16 16 VAL HG13 H 1 0.467 0.030 . 1 . . . . 16 VAL HG1 . 11232 1 128 . 1 1 16 16 VAL HG21 H 1 0.382 0.030 . 1 . . . . 16 VAL HG2 . 11232 1 129 . 1 1 16 16 VAL HG22 H 1 0.382 0.030 . 1 . . . . 16 VAL HG2 . 11232 1 130 . 1 1 16 16 VAL HG23 H 1 0.382 0.030 . 1 . . . . 16 VAL HG2 . 11232 1 131 . 1 1 16 16 VAL C C 13 174.354 0.300 . 1 . . . . 16 VAL C . 11232 1 132 . 1 1 16 16 VAL CA C 13 60.748 0.300 . 1 . . . . 16 VAL CA . 11232 1 133 . 1 1 16 16 VAL CB C 13 34.238 0.300 . 1 . . . . 16 VAL CB . 11232 1 134 . 1 1 16 16 VAL CG1 C 13 21.505 0.300 . 2 . . . . 16 VAL CG1 . 11232 1 135 . 1 1 16 16 VAL CG2 C 13 21.100 0.300 . 2 . . . . 16 VAL CG2 . 11232 1 136 . 1 1 16 16 VAL N N 15 128.909 0.300 . 1 . . . . 16 VAL N . 11232 1 137 . 1 1 17 17 SER H H 1 8.893 0.030 . 1 . . . . 17 SER H . 11232 1 138 . 1 1 17 17 SER HA H 1 4.745 0.030 . 1 . . . . 17 SER HA . 11232 1 139 . 1 1 17 17 SER HB2 H 1 3.915 0.030 . 2 . . . . 17 SER HB2 . 11232 1 140 . 1 1 17 17 SER HB3 H 1 3.742 0.030 . 2 . . . . 17 SER HB3 . 11232 1 141 . 1 1 17 17 SER C C 13 173.310 0.300 . 1 . . . . 17 SER C . 11232 1 142 . 1 1 17 17 SER CA C 13 56.289 0.300 . 1 . . . . 17 SER CA . 11232 1 143 . 1 1 17 17 SER CB C 13 65.237 0.300 . 1 . . . . 17 SER CB . 11232 1 144 . 1 1 17 17 SER N N 15 120.600 0.300 . 1 . . . . 17 SER N . 11232 1 145 . 1 1 18 18 ALA H H 1 9.265 0.030 . 1 . . . . 18 ALA H . 11232 1 146 . 1 1 18 18 ALA HA H 1 5.309 0.030 . 1 . . . . 18 ALA HA . 11232 1 147 . 1 1 18 18 ALA HB1 H 1 1.248 0.030 . 1 . . . . 18 ALA HB . 11232 1 148 . 1 1 18 18 ALA HB2 H 1 1.248 0.030 . 1 . . . . 18 ALA HB . 11232 1 149 . 1 1 18 18 ALA HB3 H 1 1.248 0.030 . 1 . . . . 18 ALA HB . 11232 1 150 . 1 1 18 18 ALA C C 13 175.992 0.300 . 1 . . . . 18 ALA C . 11232 1 151 . 1 1 18 18 ALA CA C 13 50.913 0.300 . 1 . . . . 18 ALA CA . 11232 1 152 . 1 1 18 18 ALA CB C 13 19.284 0.300 . 1 . . . . 18 ALA CB . 11232 1 153 . 1 1 18 18 ALA N N 15 128.297 0.300 . 1 . . . . 18 ALA N . 11232 1 154 . 1 1 19 19 GLY H H 1 8.159 0.030 . 1 . . . . 19 GLY H . 11232 1 155 . 1 1 19 19 GLY HA2 H 1 3.759 0.030 . 2 . . . . 19 GLY HA2 . 11232 1 156 . 1 1 19 19 GLY HA3 H 1 4.522 0.030 . 2 . . . . 19 GLY HA3 . 11232 1 157 . 1 1 19 19 GLY C C 13 174.045 0.300 . 1 . . . . 19 GLY C . 11232 1 158 . 1 1 19 19 GLY CA C 13 44.375 0.300 . 1 . . . . 19 GLY CA . 11232 1 159 . 1 1 19 19 GLY N N 15 105.626 0.300 . 1 . . . . 19 GLY N . 11232 1 160 . 1 1 20 20 ASP H H 1 8.193 0.030 . 1 . . . . 20 ASP H . 11232 1 161 . 1 1 20 20 ASP HA H 1 4.657 0.030 . 1 . . . . 20 ASP HA . 11232 1 162 . 1 1 20 20 ASP HB2 H 1 2.690 0.030 . 2 . . . . 20 ASP HB2 . 11232 1 163 . 1 1 20 20 ASP HB3 H 1 2.807 0.030 . 2 . . . . 20 ASP HB3 . 11232 1 164 . 1 1 20 20 ASP C C 13 175.389 0.300 . 1 . . . . 20 ASP C . 11232 1 165 . 1 1 20 20 ASP CA C 13 55.262 0.300 . 1 . . . . 20 ASP CA . 11232 1 166 . 1 1 20 20 ASP CB C 13 41.686 0.300 . 1 . . . . 20 ASP CB . 11232 1 167 . 1 1 20 20 ASP N N 15 117.399 0.300 . 1 . . . . 20 ASP N . 11232 1 168 . 1 1 21 21 ASN H H 1 8.671 0.030 . 1 . . . . 21 ASN H . 11232 1 169 . 1 1 21 21 ASN HA H 1 5.137 0.030 . 1 . . . . 21 ASN HA . 11232 1 170 . 1 1 21 21 ASN HB2 H 1 2.872 0.030 . 2 . . . . 21 ASN HB2 . 11232 1 171 . 1 1 21 21 ASN HB3 H 1 2.707 0.030 . 2 . . . . 21 ASN HB3 . 11232 1 172 . 1 1 21 21 ASN HD21 H 1 7.099 0.030 . 2 . . . . 21 ASN HD21 . 11232 1 173 . 1 1 21 21 ASN HD22 H 1 7.807 0.030 . 2 . . . . 21 ASN HD22 . 11232 1 174 . 1 1 21 21 ASN C C 13 175.198 0.300 . 1 . . . . 21 ASN C . 11232 1 175 . 1 1 21 21 ASN CA C 13 53.850 0.300 . 1 . . . . 21 ASN CA . 11232 1 176 . 1 1 21 21 ASN CB C 13 38.943 0.300 . 1 . . . . 21 ASN CB . 11232 1 177 . 1 1 21 21 ASN N N 15 119.190 0.300 . 1 . . . . 21 ASN N . 11232 1 178 . 1 1 21 21 ASN ND2 N 15 115.010 0.300 . 1 . . . . 21 ASN ND2 . 11232 1 179 . 1 1 22 22 LEU H H 1 8.516 0.030 . 1 . . . . 22 LEU H . 11232 1 180 . 1 1 22 22 LEU HA H 1 4.813 0.030 . 1 . . . . 22 LEU HA . 11232 1 181 . 1 1 22 22 LEU HB2 H 1 1.513 0.030 . 2 . . . . 22 LEU HB2 . 11232 1 182 . 1 1 22 22 LEU HB3 H 1 1.736 0.030 . 2 . . . . 22 LEU HB3 . 11232 1 183 . 1 1 22 22 LEU HD11 H 1 0.899 0.030 . 1 . . . . 22 LEU HD1 . 11232 1 184 . 1 1 22 22 LEU HD12 H 1 0.899 0.030 . 1 . . . . 22 LEU HD1 . 11232 1 185 . 1 1 22 22 LEU HD13 H 1 0.899 0.030 . 1 . . . . 22 LEU HD1 . 11232 1 186 . 1 1 22 22 LEU HD21 H 1 0.889 0.030 . 1 . . . . 22 LEU HD2 . 11232 1 187 . 1 1 22 22 LEU HD22 H 1 0.889 0.030 . 1 . . . . 22 LEU HD2 . 11232 1 188 . 1 1 22 22 LEU HD23 H 1 0.889 0.030 . 1 . . . . 22 LEU HD2 . 11232 1 189 . 1 1 22 22 LEU HG H 1 1.764 0.030 . 1 . . . . 22 LEU HG . 11232 1 190 . 1 1 22 22 LEU C C 13 176.464 0.300 . 1 . . . . 22 LEU C . 11232 1 191 . 1 1 22 22 LEU CA C 13 54.484 0.300 . 1 . . . . 22 LEU CA . 11232 1 192 . 1 1 22 22 LEU CB C 13 46.143 0.300 . 1 . . . . 22 LEU CB . 11232 1 193 . 1 1 22 22 LEU CD1 C 13 25.614 0.300 . 2 . . . . 22 LEU CD1 . 11232 1 194 . 1 1 22 22 LEU CD2 C 13 24.176 0.300 . 2 . . . . 22 LEU CD2 . 11232 1 195 . 1 1 22 22 LEU CG C 13 27.084 0.300 . 1 . . . . 22 LEU CG . 11232 1 196 . 1 1 22 22 LEU N N 15 122.970 0.300 . 1 . . . . 22 LEU N . 11232 1 197 . 1 1 23 23 ILE H H 1 8.605 0.030 . 1 . . . . 23 ILE H . 11232 1 198 . 1 1 23 23 ILE HA H 1 5.027 0.030 . 1 . . . . 23 ILE HA . 11232 1 199 . 1 1 23 23 ILE HB H 1 1.728 0.030 . 1 . . . . 23 ILE HB . 11232 1 200 . 1 1 23 23 ILE HD11 H 1 0.890 0.030 . 1 . . . . 23 ILE HD1 . 11232 1 201 . 1 1 23 23 ILE HD12 H 1 0.890 0.030 . 1 . . . . 23 ILE HD1 . 11232 1 202 . 1 1 23 23 ILE HD13 H 1 0.890 0.030 . 1 . . . . 23 ILE HD1 . 11232 1 203 . 1 1 23 23 ILE HG12 H 1 1.572 0.030 . 2 . . . . 23 ILE HG12 . 11232 1 204 . 1 1 23 23 ILE HG13 H 1 1.010 0.030 . 2 . . . . 23 ILE HG13 . 11232 1 205 . 1 1 23 23 ILE HG21 H 1 0.791 0.030 . 1 . . . . 23 ILE HG2 . 11232 1 206 . 1 1 23 23 ILE HG22 H 1 0.791 0.030 . 1 . . . . 23 ILE HG2 . 11232 1 207 . 1 1 23 23 ILE HG23 H 1 0.791 0.030 . 1 . . . . 23 ILE HG2 . 11232 1 208 . 1 1 23 23 ILE C C 13 175.517 0.300 . 1 . . . . 23 ILE C . 11232 1 209 . 1 1 23 23 ILE CA C 13 60.618 0.300 . 1 . . . . 23 ILE CA . 11232 1 210 . 1 1 23 23 ILE CB C 13 40.116 0.300 . 1 . . . . 23 ILE CB . 11232 1 211 . 1 1 23 23 ILE CD1 C 13 13.738 0.300 . 1 . . . . 23 ILE CD1 . 11232 1 212 . 1 1 23 23 ILE CG1 C 13 27.829 0.300 . 1 . . . . 23 ILE CG1 . 11232 1 213 . 1 1 23 23 ILE CG2 C 13 17.898 0.300 . 1 . . . . 23 ILE CG2 . 11232 1 214 . 1 1 23 23 ILE N N 15 123.994 0.300 . 1 . . . . 23 ILE N . 11232 1 215 . 1 1 24 24 ILE H H 1 9.213 0.030 . 1 . . . . 24 ILE H . 11232 1 216 . 1 1 24 24 ILE HA H 1 4.634 0.030 . 1 . . . . 24 ILE HA . 11232 1 217 . 1 1 24 24 ILE HB H 1 1.775 0.030 . 1 . . . . 24 ILE HB . 11232 1 218 . 1 1 24 24 ILE HD11 H 1 0.532 0.030 . 1 . . . . 24 ILE HD1 . 11232 1 219 . 1 1 24 24 ILE HD12 H 1 0.532 0.030 . 1 . . . . 24 ILE HD1 . 11232 1 220 . 1 1 24 24 ILE HD13 H 1 0.532 0.030 . 1 . . . . 24 ILE HD1 . 11232 1 221 . 1 1 24 24 ILE HG12 H 1 1.252 0.030 . 2 . . . . 24 ILE HG12 . 11232 1 222 . 1 1 24 24 ILE HG13 H 1 0.916 0.030 . 2 . . . . 24 ILE HG13 . 11232 1 223 . 1 1 24 24 ILE HG21 H 1 0.769 0.030 . 1 . . . . 24 ILE HG2 . 11232 1 224 . 1 1 24 24 ILE HG22 H 1 0.769 0.030 . 1 . . . . 24 ILE HG2 . 11232 1 225 . 1 1 24 24 ILE HG23 H 1 0.769 0.030 . 1 . . . . 24 ILE HG2 . 11232 1 226 . 1 1 24 24 ILE C C 13 173.919 0.300 . 1 . . . . 24 ILE C . 11232 1 227 . 1 1 24 24 ILE CA C 13 59.235 0.300 . 1 . . . . 24 ILE CA . 11232 1 228 . 1 1 24 24 ILE CB C 13 40.926 0.300 . 1 . . . . 24 ILE CB . 11232 1 229 . 1 1 24 24 ILE CD1 C 13 13.074 0.300 . 1 . . . . 24 ILE CD1 . 11232 1 230 . 1 1 24 24 ILE CG1 C 13 26.586 0.300 . 1 . . . . 24 ILE CG1 . 11232 1 231 . 1 1 24 24 ILE CG2 C 13 17.541 0.300 . 1 . . . . 24 ILE CG2 . 11232 1 232 . 1 1 24 24 ILE N N 15 126.721 0.300 . 1 . . . . 24 ILE N . 11232 1 233 . 1 1 25 25 THR H H 1 8.923 0.030 . 1 . . . . 25 THR H . 11232 1 234 . 1 1 25 25 THR HA H 1 4.699 0.030 . 1 . . . . 25 THR HA . 11232 1 235 . 1 1 25 25 THR HB H 1 3.844 0.030 . 1 . . . . 25 THR HB . 11232 1 236 . 1 1 25 25 THR HG21 H 1 1.299 0.030 . 1 . . . . 25 THR HG2 . 11232 1 237 . 1 1 25 25 THR HG22 H 1 1.299 0.030 . 1 . . . . 25 THR HG2 . 11232 1 238 . 1 1 25 25 THR HG23 H 1 1.299 0.030 . 1 . . . . 25 THR HG2 . 11232 1 239 . 1 1 25 25 THR C C 13 174.283 0.300 . 1 . . . . 25 THR C . 11232 1 240 . 1 1 25 25 THR CA C 13 61.483 0.300 . 1 . . . . 25 THR CA . 11232 1 241 . 1 1 25 25 THR CB C 13 70.515 0.300 . 1 . . . . 25 THR CB . 11232 1 242 . 1 1 25 25 THR CG2 C 13 20.870 0.300 . 1 . . . . 25 THR CG2 . 11232 1 243 . 1 1 25 25 THR N N 15 120.760 0.300 . 1 . . . . 25 THR N . 11232 1 244 . 1 1 26 26 LEU H H 1 8.534 0.030 . 1 . . . . 26 LEU H . 11232 1 245 . 1 1 26 26 LEU HA H 1 4.267 0.030 . 1 . . . . 26 LEU HA . 11232 1 246 . 1 1 26 26 LEU HB2 H 1 1.729 0.030 . 2 . . . . 26 LEU HB2 . 11232 1 247 . 1 1 26 26 LEU HB3 H 1 1.422 0.030 . 2 . . . . 26 LEU HB3 . 11232 1 248 . 1 1 26 26 LEU HD11 H 1 0.930 0.030 . 1 . . . . 26 LEU HD1 . 11232 1 249 . 1 1 26 26 LEU HD12 H 1 0.930 0.030 . 1 . . . . 26 LEU HD1 . 11232 1 250 . 1 1 26 26 LEU HD13 H 1 0.930 0.030 . 1 . . . . 26 LEU HD1 . 11232 1 251 . 1 1 26 26 LEU HD21 H 1 0.842 0.030 . 1 . . . . 26 LEU HD2 . 11232 1 252 . 1 1 26 26 LEU HD22 H 1 0.842 0.030 . 1 . . . . 26 LEU HD2 . 11232 1 253 . 1 1 26 26 LEU HD23 H 1 0.842 0.030 . 1 . . . . 26 LEU HD2 . 11232 1 254 . 1 1 26 26 LEU HG H 1 1.708 0.030 . 1 . . . . 26 LEU HG . 11232 1 255 . 1 1 26 26 LEU C C 13 174.867 0.300 . 1 . . . . 26 LEU C . 11232 1 256 . 1 1 26 26 LEU CA C 13 55.053 0.300 . 1 . . . . 26 LEU CA . 11232 1 257 . 1 1 26 26 LEU CB C 13 39.911 0.300 . 1 . . . . 26 LEU CB . 11232 1 258 . 1 1 26 26 LEU CD1 C 13 26.738 0.300 . 2 . . . . 26 LEU CD1 . 11232 1 259 . 1 1 26 26 LEU CD2 C 13 22.570 0.300 . 2 . . . . 26 LEU CD2 . 11232 1 260 . 1 1 26 26 LEU CG C 13 27.170 0.300 . 1 . . . . 26 LEU CG . 11232 1 261 . 1 1 26 26 LEU N N 15 129.342 0.300 . 1 . . . . 26 LEU N . 11232 1 262 . 1 1 27 27 PRO HA H 1 4.305 0.030 . 1 . . . . 27 PRO HA . 11232 1 263 . 1 1 27 27 PRO HB2 H 1 2.299 0.030 . 1 . . . . 27 PRO HB2 . 11232 1 264 . 1 1 27 27 PRO HB3 H 1 2.299 0.030 . 1 . . . . 27 PRO HB3 . 11232 1 265 . 1 1 27 27 PRO HD2 H 1 3.434 0.030 . 2 . . . . 27 PRO HD2 . 11232 1 266 . 1 1 27 27 PRO HD3 H 1 3.591 0.030 . 2 . . . . 27 PRO HD3 . 11232 1 267 . 1 1 27 27 PRO HG2 H 1 1.933 0.030 . 2 . . . . 27 PRO HG2 . 11232 1 268 . 1 1 27 27 PRO HG3 H 1 1.779 0.030 . 2 . . . . 27 PRO HG3 . 11232 1 269 . 1 1 27 27 PRO C C 13 177.134 0.300 . 1 . . . . 27 PRO C . 11232 1 270 . 1 1 27 27 PRO CA C 13 63.087 0.300 . 1 . . . . 27 PRO CA . 11232 1 271 . 1 1 27 27 PRO CB C 13 34.504 0.300 . 1 . . . . 27 PRO CB . 11232 1 272 . 1 1 27 27 PRO CD C 13 50.476 0.300 . 1 . . . . 27 PRO CD . 11232 1 273 . 1 1 27 27 PRO CG C 13 24.420 0.300 . 1 . . . . 27 PRO CG . 11232 1 274 . 1 1 28 28 ASP H H 1 8.419 0.030 . 1 . . . . 28 ASP H . 11232 1 275 . 1 1 28 28 ASP HA H 1 4.517 0.030 . 1 . . . . 28 ASP HA . 11232 1 276 . 1 1 28 28 ASP HB2 H 1 2.817 0.030 . 1 . . . . 28 ASP HB2 . 11232 1 277 . 1 1 28 28 ASP HB3 H 1 2.817 0.030 . 1 . . . . 28 ASP HB3 . 11232 1 278 . 1 1 28 28 ASP C C 13 174.930 0.300 . 1 . . . . 28 ASP C . 11232 1 279 . 1 1 28 28 ASP CA C 13 56.267 0.300 . 1 . . . . 28 ASP CA . 11232 1 280 . 1 1 28 28 ASP CB C 13 40.016 0.300 . 1 . . . . 28 ASP CB . 11232 1 281 . 1 1 28 28 ASP N N 15 128.921 0.300 . 1 . . . . 28 ASP N . 11232 1 282 . 1 1 29 29 ASN H H 1 8.026 0.030 . 1 . . . . 29 ASN H . 11232 1 283 . 1 1 29 29 ASN HA H 1 4.538 0.030 . 1 . . . . 29 ASN HA . 11232 1 284 . 1 1 29 29 ASN HB2 H 1 2.415 0.030 . 2 . . . . 29 ASN HB2 . 11232 1 285 . 1 1 29 29 ASN HB3 H 1 3.197 0.030 . 2 . . . . 29 ASN HB3 . 11232 1 286 . 1 1 29 29 ASN HD21 H 1 6.877 0.030 . 2 . . . . 29 ASN HD21 . 11232 1 287 . 1 1 29 29 ASN HD22 H 1 7.488 0.030 . 2 . . . . 29 ASN HD22 . 11232 1 288 . 1 1 29 29 ASN C C 13 173.116 0.300 . 1 . . . . 29 ASN C . 11232 1 289 . 1 1 29 29 ASN CA C 13 52.401 0.300 . 1 . . . . 29 ASN CA . 11232 1 290 . 1 1 29 29 ASN CB C 13 38.918 0.300 . 1 . . . . 29 ASN CB . 11232 1 291 . 1 1 29 29 ASN N N 15 117.252 0.300 . 1 . . . . 29 ASN N . 11232 1 292 . 1 1 29 29 ASN ND2 N 15 111.354 0.300 . 1 . . . . 29 ASN ND2 . 11232 1 293 . 1 1 30 30 GLU H H 1 7.269 0.030 . 1 . . . . 30 GLU H . 11232 1 294 . 1 1 30 30 GLU HA H 1 5.035 0.030 . 1 . . . . 30 GLU HA . 11232 1 295 . 1 1 30 30 GLU HB2 H 1 1.968 0.030 . 2 . . . . 30 GLU HB2 . 11232 1 296 . 1 1 30 30 GLU HB3 H 1 1.931 0.030 . 2 . . . . 30 GLU HB3 . 11232 1 297 . 1 1 30 30 GLU HG2 H 1 2.276 0.030 . 2 . . . . 30 GLU HG2 . 11232 1 298 . 1 1 30 30 GLU HG3 H 1 2.126 0.030 . 2 . . . . 30 GLU HG3 . 11232 1 299 . 1 1 30 30 GLU C C 13 174.666 0.300 . 1 . . . . 30 GLU C . 11232 1 300 . 1 1 30 30 GLU CA C 13 54.076 0.300 . 1 . . . . 30 GLU CA . 11232 1 301 . 1 1 30 30 GLU CB C 13 33.170 0.300 . 1 . . . . 30 GLU CB . 11232 1 302 . 1 1 30 30 GLU CG C 13 35.882 0.300 . 1 . . . . 30 GLU CG . 11232 1 303 . 1 1 30 30 GLU N N 15 116.269 0.300 . 1 . . . . 30 GLU N . 11232 1 304 . 1 1 31 31 VAL H H 1 8.187 0.030 . 1 . . . . 31 VAL H . 11232 1 305 . 1 1 31 31 VAL HA H 1 4.379 0.030 . 1 . . . . 31 VAL HA . 11232 1 306 . 1 1 31 31 VAL HB H 1 1.717 0.030 . 1 . . . . 31 VAL HB . 11232 1 307 . 1 1 31 31 VAL HG11 H 1 0.567 0.030 . 1 . . . . 31 VAL HG1 . 11232 1 308 . 1 1 31 31 VAL HG12 H 1 0.567 0.030 . 1 . . . . 31 VAL HG1 . 11232 1 309 . 1 1 31 31 VAL HG13 H 1 0.567 0.030 . 1 . . . . 31 VAL HG1 . 11232 1 310 . 1 1 31 31 VAL HG21 H 1 0.625 0.030 . 1 . . . . 31 VAL HG2 . 11232 1 311 . 1 1 31 31 VAL HG22 H 1 0.625 0.030 . 1 . . . . 31 VAL HG2 . 11232 1 312 . 1 1 31 31 VAL HG23 H 1 0.625 0.030 . 1 . . . . 31 VAL HG2 . 11232 1 313 . 1 1 31 31 VAL C C 13 172.354 0.300 . 1 . . . . 31 VAL C . 11232 1 314 . 1 1 31 31 VAL CA C 13 59.955 0.300 . 1 . . . . 31 VAL CA . 11232 1 315 . 1 1 31 31 VAL CB C 13 35.560 0.300 . 1 . . . . 31 VAL CB . 11232 1 316 . 1 1 31 31 VAL CG1 C 13 21.100 0.300 . 2 . . . . 31 VAL CG1 . 11232 1 317 . 1 1 31 31 VAL CG2 C 13 20.871 0.300 . 2 . . . . 31 VAL CG2 . 11232 1 318 . 1 1 31 31 VAL N N 15 116.616 0.300 . 1 . . . . 31 VAL N . 11232 1 319 . 1 1 32 32 GLU H H 1 8.157 0.030 . 1 . . . . 32 GLU H . 11232 1 320 . 1 1 32 32 GLU HA H 1 4.859 0.030 . 1 . . . . 32 GLU HA . 11232 1 321 . 1 1 32 32 GLU HB2 H 1 1.657 0.030 . 2 . . . . 32 GLU HB2 . 11232 1 322 . 1 1 32 32 GLU HB3 H 1 1.846 0.030 . 2 . . . . 32 GLU HB3 . 11232 1 323 . 1 1 32 32 GLU HG2 H 1 1.818 0.030 . 2 . . . . 32 GLU HG2 . 11232 1 324 . 1 1 32 32 GLU HG3 H 1 1.663 0.030 . 2 . . . . 32 GLU HG3 . 11232 1 325 . 1 1 32 32 GLU C C 13 174.560 0.300 . 1 . . . . 32 GLU C . 11232 1 326 . 1 1 32 32 GLU CA C 13 54.678 0.300 . 1 . . . . 32 GLU CA . 11232 1 327 . 1 1 32 32 GLU CB C 13 32.186 0.300 . 1 . . . . 32 GLU CB . 11232 1 328 . 1 1 32 32 GLU CG C 13 37.126 0.300 . 1 . . . . 32 GLU CG . 11232 1 329 . 1 1 32 32 GLU N N 15 126.353 0.300 . 1 . . . . 32 GLU N . 11232 1 330 . 1 1 33 33 LEU H H 1 8.631 0.030 . 1 . . . . 33 LEU H . 11232 1 331 . 1 1 33 33 LEU HA H 1 4.545 0.030 . 1 . . . . 33 LEU HA . 11232 1 332 . 1 1 33 33 LEU HB2 H 1 0.986 0.030 . 2 . . . . 33 LEU HB2 . 11232 1 333 . 1 1 33 33 LEU HB3 H 1 0.662 0.030 . 2 . . . . 33 LEU HB3 . 11232 1 334 . 1 1 33 33 LEU HD11 H 1 -0.278 0.030 . 1 . . . . 33 LEU HD1 . 11232 1 335 . 1 1 33 33 LEU HD12 H 1 -0.278 0.030 . 1 . . . . 33 LEU HD1 . 11232 1 336 . 1 1 33 33 LEU HD13 H 1 -0.278 0.030 . 1 . . . . 33 LEU HD1 . 11232 1 337 . 1 1 33 33 LEU HD21 H 1 0.528 0.030 . 1 . . . . 33 LEU HD2 . 11232 1 338 . 1 1 33 33 LEU HD22 H 1 0.528 0.030 . 1 . . . . 33 LEU HD2 . 11232 1 339 . 1 1 33 33 LEU HD23 H 1 0.528 0.030 . 1 . . . . 33 LEU HD2 . 11232 1 340 . 1 1 33 33 LEU HG H 1 0.891 0.030 . 1 . . . . 33 LEU HG . 11232 1 341 . 1 1 33 33 LEU C C 13 175.320 0.300 . 1 . . . . 33 LEU C . 11232 1 342 . 1 1 33 33 LEU CA C 13 52.722 0.300 . 1 . . . . 33 LEU CA . 11232 1 343 . 1 1 33 33 LEU CB C 13 44.125 0.300 . 1 . . . . 33 LEU CB . 11232 1 344 . 1 1 33 33 LEU CD1 C 13 25.063 0.300 . 2 . . . . 33 LEU CD1 . 11232 1 345 . 1 1 33 33 LEU CD2 C 13 23.280 0.300 . 2 . . . . 33 LEU CD2 . 11232 1 346 . 1 1 33 33 LEU CG C 13 26.467 0.300 . 1 . . . . 33 LEU CG . 11232 1 347 . 1 1 33 33 LEU N N 15 126.912 0.300 . 1 . . . . 33 LEU N . 11232 1 348 . 1 1 34 34 LYS H H 1 8.641 0.030 . 1 . . . . 34 LYS H . 11232 1 349 . 1 1 34 34 LYS HA H 1 4.839 0.030 . 1 . . . . 34 LYS HA . 11232 1 350 . 1 1 34 34 LYS HB2 H 1 1.487 0.030 . 1 . . . . 34 LYS HB2 . 11232 1 351 . 1 1 34 34 LYS HB3 H 1 1.487 0.030 . 1 . . . . 34 LYS HB3 . 11232 1 352 . 1 1 34 34 LYS HD2 H 1 1.511 0.030 . 1 . . . . 34 LYS HD2 . 11232 1 353 . 1 1 34 34 LYS HD3 H 1 1.511 0.030 . 1 . . . . 34 LYS HD3 . 11232 1 354 . 1 1 34 34 LYS HE2 H 1 2.695 0.030 . 1 . . . . 34 LYS HE2 . 11232 1 355 . 1 1 34 34 LYS HE3 H 1 2.695 0.030 . 1 . . . . 34 LYS HE3 . 11232 1 356 . 1 1 34 34 LYS HG2 H 1 0.987 0.030 . 1 . . . . 34 LYS HG2 . 11232 1 357 . 1 1 34 34 LYS HG3 H 1 0.987 0.030 . 1 . . . . 34 LYS HG3 . 11232 1 358 . 1 1 34 34 LYS C C 13 174.021 0.300 . 1 . . . . 34 LYS C . 11232 1 359 . 1 1 34 34 LYS CA C 13 55.481 0.300 . 1 . . . . 34 LYS CA . 11232 1 360 . 1 1 34 34 LYS CB C 13 36.062 0.300 . 1 . . . . 34 LYS CB . 11232 1 361 . 1 1 34 34 LYS CD C 13 29.534 0.300 . 1 . . . . 34 LYS CD . 11232 1 362 . 1 1 34 34 LYS CE C 13 41.946 0.300 . 1 . . . . 34 LYS CE . 11232 1 363 . 1 1 34 34 LYS CG C 13 25.135 0.300 . 1 . . . . 34 LYS CG . 11232 1 364 . 1 1 34 34 LYS N N 15 120.845 0.300 . 1 . . . . 34 LYS N . 11232 1 365 . 1 1 35 35 ALA H H 1 7.814 0.030 . 1 . . . . 35 ALA H . 11232 1 366 . 1 1 35 35 ALA HA H 1 4.941 0.030 . 1 . . . . 35 ALA HA . 11232 1 367 . 1 1 35 35 ALA HB1 H 1 1.165 0.030 . 1 . . . . 35 ALA HB . 11232 1 368 . 1 1 35 35 ALA HB2 H 1 1.165 0.030 . 1 . . . . 35 ALA HB . 11232 1 369 . 1 1 35 35 ALA HB3 H 1 1.165 0.030 . 1 . . . . 35 ALA HB . 11232 1 370 . 1 1 35 35 ALA C C 13 175.805 0.300 . 1 . . . . 35 ALA C . 11232 1 371 . 1 1 35 35 ALA CA C 13 50.543 0.300 . 1 . . . . 35 ALA CA . 11232 1 372 . 1 1 35 35 ALA CB C 13 20.812 0.300 . 1 . . . . 35 ALA CB . 11232 1 373 . 1 1 35 35 ALA N N 15 124.178 0.300 . 1 . . . . 35 ALA N . 11232 1 374 . 1 1 36 36 PHE H H 1 9.132 0.030 . 1 . . . . 36 PHE H . 11232 1 375 . 1 1 36 36 PHE HA H 1 4.846 0.030 . 1 . . . . 36 PHE HA . 11232 1 376 . 1 1 36 36 PHE HB2 H 1 3.083 0.030 . 2 . . . . 36 PHE HB2 . 11232 1 377 . 1 1 36 36 PHE HB3 H 1 2.937 0.030 . 2 . . . . 36 PHE HB3 . 11232 1 378 . 1 1 36 36 PHE HD1 H 1 7.223 0.030 . 1 . . . . 36 PHE HD1 . 11232 1 379 . 1 1 36 36 PHE HD2 H 1 7.223 0.030 . 1 . . . . 36 PHE HD2 . 11232 1 380 . 1 1 36 36 PHE HE1 H 1 7.277 0.030 . 1 . . . . 36 PHE HE1 . 11232 1 381 . 1 1 36 36 PHE HE2 H 1 7.277 0.030 . 1 . . . . 36 PHE HE2 . 11232 1 382 . 1 1 36 36 PHE C C 13 174.484 0.300 . 1 . . . . 36 PHE C . 11232 1 383 . 1 1 36 36 PHE CA C 13 57.120 0.300 . 1 . . . . 36 PHE CA . 11232 1 384 . 1 1 36 36 PHE CB C 13 41.116 0.300 . 1 . . . . 36 PHE CB . 11232 1 385 . 1 1 36 36 PHE CD1 C 13 131.931 0.300 . 1 . . . . 36 PHE CD1 . 11232 1 386 . 1 1 36 36 PHE CD2 C 13 131.931 0.300 . 1 . . . . 36 PHE CD2 . 11232 1 387 . 1 1 36 36 PHE CE1 C 13 130.930 0.300 . 1 . . . . 36 PHE CE1 . 11232 1 388 . 1 1 36 36 PHE CE2 C 13 130.930 0.300 . 1 . . . . 36 PHE CE2 . 11232 1 389 . 1 1 36 36 PHE N N 15 122.206 0.300 . 1 . . . . 36 PHE N . 11232 1 390 . 1 1 37 37 VAL H H 1 8.154 0.030 . 1 . . . . 37 VAL H . 11232 1 391 . 1 1 37 37 VAL HA H 1 4.846 0.030 . 1 . . . . 37 VAL HA . 11232 1 392 . 1 1 37 37 VAL HB H 1 1.795 0.030 . 1 . . . . 37 VAL HB . 11232 1 393 . 1 1 37 37 VAL HG11 H 1 0.707 0.030 . 1 . . . . 37 VAL HG1 . 11232 1 394 . 1 1 37 37 VAL HG12 H 1 0.707 0.030 . 1 . . . . 37 VAL HG1 . 11232 1 395 . 1 1 37 37 VAL HG13 H 1 0.707 0.030 . 1 . . . . 37 VAL HG1 . 11232 1 396 . 1 1 37 37 VAL HG21 H 1 0.743 0.030 . 1 . . . . 37 VAL HG2 . 11232 1 397 . 1 1 37 37 VAL HG22 H 1 0.743 0.030 . 1 . . . . 37 VAL HG2 . 11232 1 398 . 1 1 37 37 VAL HG23 H 1 0.743 0.030 . 1 . . . . 37 VAL HG2 . 11232 1 399 . 1 1 37 37 VAL C C 13 173.710 0.300 . 1 . . . . 37 VAL C . 11232 1 400 . 1 1 37 37 VAL CA C 13 60.366 0.300 . 1 . . . . 37 VAL CA . 11232 1 401 . 1 1 37 37 VAL CB C 13 34.841 0.300 . 1 . . . . 37 VAL CB . 11232 1 402 . 1 1 37 37 VAL CG1 C 13 22.470 0.300 . 2 . . . . 37 VAL CG1 . 11232 1 403 . 1 1 37 37 VAL CG2 C 13 22.708 0.300 . 2 . . . . 37 VAL CG2 . 11232 1 404 . 1 1 37 37 VAL N N 15 122.230 0.300 . 1 . . . . 37 VAL N . 11232 1 405 . 1 1 38 38 ALA H H 1 8.497 0.030 . 1 . . . . 38 ALA H . 11232 1 406 . 1 1 38 38 ALA HA H 1 4.595 0.030 . 1 . . . . 38 ALA HA . 11232 1 407 . 1 1 38 38 ALA HB1 H 1 1.310 0.030 . 1 . . . . 38 ALA HB . 11232 1 408 . 1 1 38 38 ALA HB2 H 1 1.310 0.030 . 1 . . . . 38 ALA HB . 11232 1 409 . 1 1 38 38 ALA HB3 H 1 1.310 0.030 . 1 . . . . 38 ALA HB . 11232 1 410 . 1 1 38 38 ALA C C 13 174.707 0.300 . 1 . . . . 38 ALA C . 11232 1 411 . 1 1 38 38 ALA CA C 13 48.973 0.300 . 1 . . . . 38 ALA CA . 11232 1 412 . 1 1 38 38 ALA CB C 13 21.221 0.300 . 1 . . . . 38 ALA CB . 11232 1 413 . 1 1 38 38 ALA N N 15 128.952 0.300 . 1 . . . . 38 ALA N . 11232 1 414 . 1 1 39 39 PRO HA H 1 4.657 0.030 . 1 . . . . 39 PRO HA . 11232 1 415 . 1 1 39 39 PRO HB2 H 1 2.448 0.030 . 2 . . . . 39 PRO HB2 . 11232 1 416 . 1 1 39 39 PRO HB3 H 1 2.151 0.030 . 2 . . . . 39 PRO HB3 . 11232 1 417 . 1 1 39 39 PRO HD2 H 1 3.554 0.030 . 2 . . . . 39 PRO HD2 . 11232 1 418 . 1 1 39 39 PRO HD3 H 1 3.652 0.030 . 2 . . . . 39 PRO HD3 . 11232 1 419 . 1 1 39 39 PRO HG2 H 1 1.932 0.030 . 2 . . . . 39 PRO HG2 . 11232 1 420 . 1 1 39 39 PRO HG3 H 1 1.748 0.030 . 2 . . . . 39 PRO HG3 . 11232 1 421 . 1 1 39 39 PRO C C 13 176.048 0.300 . 1 . . . . 39 PRO C . 11232 1 422 . 1 1 39 39 PRO CA C 13 62.193 0.300 . 1 . . . . 39 PRO CA . 11232 1 423 . 1 1 39 39 PRO CB C 13 34.478 0.300 . 1 . . . . 39 PRO CB . 11232 1 424 . 1 1 39 39 PRO CD C 13 49.944 0.300 . 1 . . . . 39 PRO CD . 11232 1 425 . 1 1 39 39 PRO CG C 13 25.025 0.300 . 1 . . . . 39 PRO CG . 11232 1 426 . 1 1 40 40 ALA H H 1 8.583 0.030 . 1 . . . . 40 ALA H . 11232 1 427 . 1 1 40 40 ALA HA H 1 4.515 0.030 . 1 . . . . 40 ALA HA . 11232 1 428 . 1 1 40 40 ALA HB1 H 1 1.418 0.030 . 1 . . . . 40 ALA HB . 11232 1 429 . 1 1 40 40 ALA HB2 H 1 1.418 0.030 . 1 . . . . 40 ALA HB . 11232 1 430 . 1 1 40 40 ALA HB3 H 1 1.418 0.030 . 1 . . . . 40 ALA HB . 11232 1 431 . 1 1 40 40 ALA C C 13 175.123 0.300 . 1 . . . . 40 ALA C . 11232 1 432 . 1 1 40 40 ALA CA C 13 50.760 0.300 . 1 . . . . 40 ALA CA . 11232 1 433 . 1 1 40 40 ALA CB C 13 17.215 0.300 . 1 . . . . 40 ALA CB . 11232 1 434 . 1 1 40 40 ALA N N 15 125.914 0.300 . 1 . . . . 40 ALA N . 11232 1 435 . 1 1 41 41 PRO HA H 1 4.484 0.030 . 1 . . . . 41 PRO HA . 11232 1 436 . 1 1 41 41 PRO HB2 H 1 1.338 0.030 . 2 . . . . 41 PRO HB2 . 11232 1 437 . 1 1 41 41 PRO HB3 H 1 1.772 0.030 . 2 . . . . 41 PRO HB3 . 11232 1 438 . 1 1 41 41 PRO HD2 H 1 3.652 0.030 . 1 . . . . 41 PRO HD2 . 11232 1 439 . 1 1 41 41 PRO HD3 H 1 3.652 0.030 . 1 . . . . 41 PRO HD3 . 11232 1 440 . 1 1 41 41 PRO HG2 H 1 1.540 0.030 . 2 . . . . 41 PRO HG2 . 11232 1 441 . 1 1 41 41 PRO HG3 H 1 1.897 0.030 . 2 . . . . 41 PRO HG3 . 11232 1 442 . 1 1 41 41 PRO CA C 13 61.019 0.300 . 1 . . . . 41 PRO CA . 11232 1 443 . 1 1 41 41 PRO CB C 13 29.911 0.300 . 1 . . . . 41 PRO CB . 11232 1 444 . 1 1 41 41 PRO CD C 13 49.930 0.300 . 1 . . . . 41 PRO CD . 11232 1 445 . 1 1 41 41 PRO CG C 13 26.655 0.300 . 1 . . . . 41 PRO CG . 11232 1 446 . 1 1 42 42 PRO HA H 1 4.444 0.030 . 1 . . . . 42 PRO HA . 11232 1 447 . 1 1 42 42 PRO HB2 H 1 1.971 0.030 . 2 . . . . 42 PRO HB2 . 11232 1 448 . 1 1 42 42 PRO HB3 H 1 2.328 0.030 . 2 . . . . 42 PRO HB3 . 11232 1 449 . 1 1 42 42 PRO HD2 H 1 3.814 0.030 . 2 . . . . 42 PRO HD2 . 11232 1 450 . 1 1 42 42 PRO HD3 H 1 3.476 0.030 . 2 . . . . 42 PRO HD3 . 11232 1 451 . 1 1 42 42 PRO HG2 H 1 2.014 0.030 . 1 . . . . 42 PRO HG2 . 11232 1 452 . 1 1 42 42 PRO HG3 H 1 2.014 0.030 . 1 . . . . 42 PRO HG3 . 11232 1 453 . 1 1 42 42 PRO C C 13 176.740 0.300 . 1 . . . . 42 PRO C . 11232 1 454 . 1 1 42 42 PRO CA C 13 62.894 0.300 . 1 . . . . 42 PRO CA . 11232 1 455 . 1 1 42 42 PRO CB C 13 31.986 0.300 . 1 . . . . 42 PRO CB . 11232 1 456 . 1 1 42 42 PRO CD C 13 50.209 0.300 . 1 . . . . 42 PRO CD . 11232 1 457 . 1 1 42 42 PRO CG C 13 27.307 0.300 . 1 . . . . 42 PRO CG . 11232 1 458 . 1 1 43 43 VAL H H 1 7.865 0.030 . 1 . . . . 43 VAL H . 11232 1 459 . 1 1 43 43 VAL HA H 1 4.008 0.030 . 1 . . . . 43 VAL HA . 11232 1 460 . 1 1 43 43 VAL HB H 1 2.102 0.030 . 1 . . . . 43 VAL HB . 11232 1 461 . 1 1 43 43 VAL HG11 H 1 0.991 0.030 . 1 . . . . 43 VAL HG1 . 11232 1 462 . 1 1 43 43 VAL HG12 H 1 0.991 0.030 . 1 . . . . 43 VAL HG1 . 11232 1 463 . 1 1 43 43 VAL HG13 H 1 0.991 0.030 . 1 . . . . 43 VAL HG1 . 11232 1 464 . 1 1 43 43 VAL HG21 H 1 0.974 0.030 . 1 . . . . 43 VAL HG2 . 11232 1 465 . 1 1 43 43 VAL HG22 H 1 0.974 0.030 . 1 . . . . 43 VAL HG2 . 11232 1 466 . 1 1 43 43 VAL HG23 H 1 0.974 0.030 . 1 . . . . 43 VAL HG2 . 11232 1 467 . 1 1 43 43 VAL C C 13 176.376 0.300 . 1 . . . . 43 VAL C . 11232 1 468 . 1 1 43 43 VAL CA C 13 63.070 0.300 . 1 . . . . 43 VAL CA . 11232 1 469 . 1 1 43 43 VAL CB C 13 32.729 0.300 . 1 . . . . 43 VAL CB . 11232 1 470 . 1 1 43 43 VAL CG1 C 13 21.069 0.300 . 2 . . . . 43 VAL CG1 . 11232 1 471 . 1 1 43 43 VAL CG2 C 13 20.524 0.300 . 2 . . . . 43 VAL CG2 . 11232 1 472 . 1 1 43 43 VAL N N 15 117.277 0.300 . 1 . . . . 43 VAL N . 11232 1 473 . 1 1 44 44 GLU H H 1 8.796 0.030 . 1 . . . . 44 GLU H . 11232 1 474 . 1 1 44 44 GLU HA H 1 4.072 0.030 . 1 . . . . 44 GLU HA . 11232 1 475 . 1 1 44 44 GLU HB2 H 1 2.125 0.030 . 2 . . . . 44 GLU HB2 . 11232 1 476 . 1 1 44 44 GLU HB3 H 1 2.163 0.030 . 2 . . . . 44 GLU HB3 . 11232 1 477 . 1 1 44 44 GLU HG2 H 1 2.288 0.030 . 1 . . . . 44 GLU HG2 . 11232 1 478 . 1 1 44 44 GLU HG3 H 1 2.288 0.030 . 1 . . . . 44 GLU HG3 . 11232 1 479 . 1 1 44 44 GLU C C 13 176.270 0.300 . 1 . . . . 44 GLU C . 11232 1 480 . 1 1 44 44 GLU CA C 13 58.147 0.300 . 1 . . . . 44 GLU CA . 11232 1 481 . 1 1 44 44 GLU CB C 13 28.566 0.300 . 1 . . . . 44 GLU CB . 11232 1 482 . 1 1 44 44 GLU CG C 13 36.527 0.300 . 1 . . . . 44 GLU CG . 11232 1 483 . 1 1 44 44 GLU N N 15 119.351 0.300 . 1 . . . . 44 GLU N . 11232 1 484 . 1 1 45 45 THR H H 1 7.874 0.030 . 1 . . . . 45 THR H . 11232 1 485 . 1 1 45 45 THR HA H 1 4.533 0.030 . 1 . . . . 45 THR HA . 11232 1 486 . 1 1 45 45 THR HB H 1 4.016 0.030 . 1 . . . . 45 THR HB . 11232 1 487 . 1 1 45 45 THR HG21 H 1 0.998 0.030 . 1 . . . . 45 THR HG2 . 11232 1 488 . 1 1 45 45 THR HG22 H 1 0.998 0.030 . 1 . . . . 45 THR HG2 . 11232 1 489 . 1 1 45 45 THR HG23 H 1 0.998 0.030 . 1 . . . . 45 THR HG2 . 11232 1 490 . 1 1 45 45 THR C C 13 172.859 0.300 . 1 . . . . 45 THR C . 11232 1 491 . 1 1 45 45 THR CA C 13 61.600 0.300 . 1 . . . . 45 THR CA . 11232 1 492 . 1 1 45 45 THR CB C 13 70.720 0.300 . 1 . . . . 45 THR CB . 11232 1 493 . 1 1 45 45 THR CG2 C 13 21.021 0.300 . 1 . . . . 45 THR CG2 . 11232 1 494 . 1 1 45 45 THR N N 15 115.079 0.300 . 1 . . . . 45 THR N . 11232 1 495 . 1 1 46 46 THR H H 1 8.186 0.030 . 1 . . . . 46 THR H . 11232 1 496 . 1 1 46 46 THR HA H 1 4.297 0.030 . 1 . . . . 46 THR HA . 11232 1 497 . 1 1 46 46 THR HB H 1 4.042 0.030 . 1 . . . . 46 THR HB . 11232 1 498 . 1 1 46 46 THR HG21 H 1 1.164 0.030 . 1 . . . . 46 THR HG2 . 11232 1 499 . 1 1 46 46 THR HG22 H 1 1.164 0.030 . 1 . . . . 46 THR HG2 . 11232 1 500 . 1 1 46 46 THR HG23 H 1 1.164 0.030 . 1 . . . . 46 THR HG2 . 11232 1 501 . 1 1 46 46 THR C C 13 174.126 0.300 . 1 . . . . 46 THR C . 11232 1 502 . 1 1 46 46 THR CA C 13 61.481 0.300 . 1 . . . . 46 THR CA . 11232 1 503 . 1 1 46 46 THR CB C 13 70.698 0.300 . 1 . . . . 46 THR CB . 11232 1 504 . 1 1 46 46 THR CG2 C 13 21.468 0.300 . 1 . . . . 46 THR CG2 . 11232 1 505 . 1 1 46 46 THR N N 15 117.071 0.300 . 1 . . . . 46 THR N . 11232 1 506 . 1 1 47 47 TYR H H 1 8.217 0.030 . 1 . . . . 47 TYR H . 11232 1 507 . 1 1 47 47 TYR HA H 1 4.855 0.030 . 1 . . . . 47 TYR HA . 11232 1 508 . 1 1 47 47 TYR HB2 H 1 2.376 0.030 . 2 . . . . 47 TYR HB2 . 11232 1 509 . 1 1 47 47 TYR HB3 H 1 2.471 0.030 . 2 . . . . 47 TYR HB3 . 11232 1 510 . 1 1 47 47 TYR HD1 H 1 6.788 0.030 . 1 . . . . 47 TYR HD1 . 11232 1 511 . 1 1 47 47 TYR HD2 H 1 6.788 0.030 . 1 . . . . 47 TYR HD2 . 11232 1 512 . 1 1 47 47 TYR HE1 H 1 6.565 0.030 . 1 . . . . 47 TYR HE1 . 11232 1 513 . 1 1 47 47 TYR HE2 H 1 6.565 0.030 . 1 . . . . 47 TYR HE2 . 11232 1 514 . 1 1 47 47 TYR C C 13 174.196 0.300 . 1 . . . . 47 TYR C . 11232 1 515 . 1 1 47 47 TYR CA C 13 55.161 0.300 . 1 . . . . 47 TYR CA . 11232 1 516 . 1 1 47 47 TYR CB C 13 39.531 0.300 . 1 . . . . 47 TYR CB . 11232 1 517 . 1 1 47 47 TYR CD1 C 13 131.081 0.300 . 1 . . . . 47 TYR CD1 . 11232 1 518 . 1 1 47 47 TYR CD2 C 13 131.081 0.300 . 1 . . . . 47 TYR CD2 . 11232 1 519 . 1 1 47 47 TYR CE1 C 13 117.753 0.300 . 1 . . . . 47 TYR CE1 . 11232 1 520 . 1 1 47 47 TYR CE2 C 13 117.753 0.300 . 1 . . . . 47 TYR CE2 . 11232 1 521 . 1 1 47 47 TYR N N 15 122.382 0.300 . 1 . . . . 47 TYR N . 11232 1 522 . 1 1 48 48 ASN H H 1 8.882 0.030 . 1 . . . . 48 ASN H . 11232 1 523 . 1 1 48 48 ASN HA H 1 4.968 0.030 . 1 . . . . 48 ASN HA . 11232 1 524 . 1 1 48 48 ASN HB2 H 1 2.706 0.030 . 2 . . . . 48 ASN HB2 . 11232 1 525 . 1 1 48 48 ASN HB3 H 1 2.658 0.030 . 2 . . . . 48 ASN HB3 . 11232 1 526 . 1 1 48 48 ASN HD21 H 1 7.354 0.030 . 2 . . . . 48 ASN HD21 . 11232 1 527 . 1 1 48 48 ASN HD22 H 1 6.997 0.030 . 2 . . . . 48 ASN HD22 . 11232 1 528 . 1 1 48 48 ASN C C 13 173.777 0.300 . 1 . . . . 48 ASN C . 11232 1 529 . 1 1 48 48 ASN CA C 13 52.300 0.300 . 1 . . . . 48 ASN CA . 11232 1 530 . 1 1 48 48 ASN CB C 13 40.266 0.300 . 1 . . . . 48 ASN CB . 11232 1 531 . 1 1 48 48 ASN N N 15 117.856 0.300 . 1 . . . . 48 ASN N . 11232 1 532 . 1 1 48 48 ASN ND2 N 15 114.540 0.300 . 1 . . . . 48 ASN ND2 . 11232 1 533 . 1 1 49 49 TYR H H 1 9.049 0.030 . 1 . . . . 49 TYR H . 11232 1 534 . 1 1 49 49 TYR HA H 1 4.802 0.030 . 1 . . . . 49 TYR HA . 11232 1 535 . 1 1 49 49 TYR HB2 H 1 2.354 0.030 . 2 . . . . 49 TYR HB2 . 11232 1 536 . 1 1 49 49 TYR HB3 H 1 2.243 0.030 . 2 . . . . 49 TYR HB3 . 11232 1 537 . 1 1 49 49 TYR HD1 H 1 6.749 0.030 . 1 . . . . 49 TYR HD1 . 11232 1 538 . 1 1 49 49 TYR HD2 H 1 6.749 0.030 . 1 . . . . 49 TYR HD2 . 11232 1 539 . 1 1 49 49 TYR HE1 H 1 6.562 0.030 . 1 . . . . 49 TYR HE1 . 11232 1 540 . 1 1 49 49 TYR HE2 H 1 6.562 0.030 . 1 . . . . 49 TYR HE2 . 11232 1 541 . 1 1 49 49 TYR C C 13 175.620 0.300 . 1 . . . . 49 TYR C . 11232 1 542 . 1 1 49 49 TYR CA C 13 57.559 0.300 . 1 . . . . 49 TYR CA . 11232 1 543 . 1 1 49 49 TYR CB C 13 42.330 0.300 . 1 . . . . 49 TYR CB . 11232 1 544 . 1 1 49 49 TYR CD1 C 13 133.079 0.300 . 1 . . . . 49 TYR CD1 . 11232 1 545 . 1 1 49 49 TYR CD2 C 13 133.079 0.300 . 1 . . . . 49 TYR CD2 . 11232 1 546 . 1 1 49 49 TYR CE1 C 13 117.833 0.300 . 1 . . . . 49 TYR CE1 . 11232 1 547 . 1 1 49 49 TYR CE2 C 13 117.833 0.300 . 1 . . . . 49 TYR CE2 . 11232 1 548 . 1 1 49 49 TYR N N 15 121.719 0.300 . 1 . . . . 49 TYR N . 11232 1 549 . 1 1 50 50 GLU H H 1 8.296 0.030 . 1 . . . . 50 GLU H . 11232 1 550 . 1 1 50 50 GLU HA H 1 4.941 0.030 . 1 . . . . 50 GLU HA . 11232 1 551 . 1 1 50 50 GLU HB2 H 1 1.886 0.030 . 1 . . . . 50 GLU HB2 . 11232 1 552 . 1 1 50 50 GLU HB3 H 1 1.886 0.030 . 1 . . . . 50 GLU HB3 . 11232 1 553 . 1 1 50 50 GLU HG2 H 1 2.045 0.030 . 2 . . . . 50 GLU HG2 . 11232 1 554 . 1 1 50 50 GLU HG3 H 1 1.965 0.030 . 2 . . . . 50 GLU HG3 . 11232 1 555 . 1 1 50 50 GLU C C 13 174.991 0.300 . 1 . . . . 50 GLU C . 11232 1 556 . 1 1 50 50 GLU CA C 13 55.846 0.300 . 1 . . . . 50 GLU CA . 11232 1 557 . 1 1 50 50 GLU CB C 13 33.212 0.300 . 1 . . . . 50 GLU CB . 11232 1 558 . 1 1 50 50 GLU CG C 13 36.642 0.300 . 1 . . . . 50 GLU CG . 11232 1 559 . 1 1 50 50 GLU N N 15 120.087 0.300 . 1 . . . . 50 GLU N . 11232 1 560 . 1 1 51 51 TRP H H 1 9.202 0.030 . 1 . . . . 51 TRP H . 11232 1 561 . 1 1 51 51 TRP HA H 1 5.302 0.030 . 1 . . . . 51 TRP HA . 11232 1 562 . 1 1 51 51 TRP HB2 H 1 2.957 0.030 . 2 . . . . 51 TRP HB2 . 11232 1 563 . 1 1 51 51 TRP HB3 H 1 3.062 0.030 . 2 . . . . 51 TRP HB3 . 11232 1 564 . 1 1 51 51 TRP HD1 H 1 7.250 0.030 . 1 . . . . 51 TRP HD1 . 11232 1 565 . 1 1 51 51 TRP HE1 H 1 9.519 0.030 . 1 . . . . 51 TRP HE1 . 11232 1 566 . 1 1 51 51 TRP HE3 H 1 7.112 0.030 . 1 . . . . 51 TRP HE3 . 11232 1 567 . 1 1 51 51 TRP HH2 H 1 6.563 0.030 . 1 . . . . 51 TRP HH2 . 11232 1 568 . 1 1 51 51 TRP HZ2 H 1 7.152 0.030 . 1 . . . . 51 TRP HZ2 . 11232 1 569 . 1 1 51 51 TRP HZ3 H 1 6.443 0.030 . 1 . . . . 51 TRP HZ3 . 11232 1 570 . 1 1 51 51 TRP C C 13 176.205 0.300 . 1 . . . . 51 TRP C . 11232 1 571 . 1 1 51 51 TRP CA C 13 56.531 0.300 . 1 . . . . 51 TRP CA . 11232 1 572 . 1 1 51 51 TRP CB C 13 32.247 0.300 . 1 . . . . 51 TRP CB . 11232 1 573 . 1 1 51 51 TRP CD1 C 13 128.955 0.300 . 1 . . . . 51 TRP CD1 . 11232 1 574 . 1 1 51 51 TRP CE3 C 13 119.335 0.300 . 1 . . . . 51 TRP CE3 . 11232 1 575 . 1 1 51 51 TRP CH2 C 13 123.080 0.300 . 1 . . . . 51 TRP CH2 . 11232 1 576 . 1 1 51 51 TRP CZ2 C 13 114.257 0.300 . 1 . . . . 51 TRP CZ2 . 11232 1 577 . 1 1 51 51 TRP CZ3 C 13 120.405 0.300 . 1 . . . . 51 TRP CZ3 . 11232 1 578 . 1 1 51 51 TRP N N 15 128.760 0.300 . 1 . . . . 51 TRP N . 11232 1 579 . 1 1 51 51 TRP NE1 N 15 129.388 0.300 . 1 . . . . 51 TRP NE1 . 11232 1 580 . 1 1 52 52 ASN H H 1 9.633 0.030 . 1 . . . . 52 ASN H . 11232 1 581 . 1 1 52 52 ASN HA H 1 5.306 0.030 . 1 . . . . 52 ASN HA . 11232 1 582 . 1 1 52 52 ASN HB2 H 1 2.522 0.030 . 2 . . . . 52 ASN HB2 . 11232 1 583 . 1 1 52 52 ASN HB3 H 1 2.609 0.030 . 2 . . . . 52 ASN HB3 . 11232 1 584 . 1 1 52 52 ASN HD21 H 1 7.841 0.030 . 2 . . . . 52 ASN HD21 . 11232 1 585 . 1 1 52 52 ASN HD22 H 1 7.440 0.030 . 2 . . . . 52 ASN HD22 . 11232 1 586 . 1 1 52 52 ASN C C 13 173.365 0.300 . 1 . . . . 52 ASN C . 11232 1 587 . 1 1 52 52 ASN CA C 13 52.956 0.300 . 1 . . . . 52 ASN CA . 11232 1 588 . 1 1 52 52 ASN CB C 13 43.921 0.300 . 1 . . . . 52 ASN CB . 11232 1 589 . 1 1 52 52 ASN N N 15 118.824 0.300 . 1 . . . . 52 ASN N . 11232 1 590 . 1 1 52 52 ASN ND2 N 15 114.593 0.300 . 1 . . . . 52 ASN ND2 . 11232 1 591 . 1 1 53 53 LEU H H 1 9.029 0.030 . 1 . . . . 53 LEU H . 11232 1 592 . 1 1 53 53 LEU HA H 1 4.526 0.030 . 1 . . . . 53 LEU HA . 11232 1 593 . 1 1 53 53 LEU HB2 H 1 1.353 0.030 . 2 . . . . 53 LEU HB2 . 11232 1 594 . 1 1 53 53 LEU HB3 H 1 2.054 0.030 . 2 . . . . 53 LEU HB3 . 11232 1 595 . 1 1 53 53 LEU HD11 H 1 0.825 0.030 . 1 . . . . 53 LEU HD1 . 11232 1 596 . 1 1 53 53 LEU HD12 H 1 0.825 0.030 . 1 . . . . 53 LEU HD1 . 11232 1 597 . 1 1 53 53 LEU HD13 H 1 0.825 0.030 . 1 . . . . 53 LEU HD1 . 11232 1 598 . 1 1 53 53 LEU HD21 H 1 0.511 0.030 . 1 . . . . 53 LEU HD2 . 11232 1 599 . 1 1 53 53 LEU HD22 H 1 0.511 0.030 . 1 . . . . 53 LEU HD2 . 11232 1 600 . 1 1 53 53 LEU HD23 H 1 0.511 0.030 . 1 . . . . 53 LEU HD2 . 11232 1 601 . 1 1 53 53 LEU HG H 1 1.365 0.030 . 1 . . . . 53 LEU HG . 11232 1 602 . 1 1 53 53 LEU C C 13 175.504 0.300 . 1 . . . . 53 LEU C . 11232 1 603 . 1 1 53 53 LEU CA C 13 54.330 0.300 . 1 . . . . 53 LEU CA . 11232 1 604 . 1 1 53 53 LEU CB C 13 42.187 0.300 . 1 . . . . 53 LEU CB . 11232 1 605 . 1 1 53 53 LEU CD1 C 13 26.532 0.300 . 2 . . . . 53 LEU CD1 . 11232 1 606 . 1 1 53 53 LEU CD2 C 13 22.854 0.300 . 2 . . . . 53 LEU CD2 . 11232 1 607 . 1 1 53 53 LEU CG C 13 27.180 0.300 . 1 . . . . 53 LEU CG . 11232 1 608 . 1 1 53 53 LEU N N 15 125.983 0.300 . 1 . . . . 53 LEU N . 11232 1 609 . 1 1 54 54 ILE H H 1 8.869 0.030 . 1 . . . . 54 ILE H . 11232 1 610 . 1 1 54 54 ILE HA H 1 4.281 0.030 . 1 . . . . 54 ILE HA . 11232 1 611 . 1 1 54 54 ILE HB H 1 2.014 0.030 . 1 . . . . 54 ILE HB . 11232 1 612 . 1 1 54 54 ILE HD11 H 1 0.938 0.030 . 1 . . . . 54 ILE HD1 . 11232 1 613 . 1 1 54 54 ILE HD12 H 1 0.938 0.030 . 1 . . . . 54 ILE HD1 . 11232 1 614 . 1 1 54 54 ILE HD13 H 1 0.938 0.030 . 1 . . . . 54 ILE HD1 . 11232 1 615 . 1 1 54 54 ILE HG12 H 1 1.402 0.030 . 2 . . . . 54 ILE HG12 . 11232 1 616 . 1 1 54 54 ILE HG13 H 1 1.350 0.030 . 2 . . . . 54 ILE HG13 . 11232 1 617 . 1 1 54 54 ILE HG21 H 1 0.969 0.030 . 1 . . . . 54 ILE HG2 . 11232 1 618 . 1 1 54 54 ILE HG22 H 1 0.969 0.030 . 1 . . . . 54 ILE HG2 . 11232 1 619 . 1 1 54 54 ILE HG23 H 1 0.969 0.030 . 1 . . . . 54 ILE HG2 . 11232 1 620 . 1 1 54 54 ILE C C 13 176.574 0.300 . 1 . . . . 54 ILE C . 11232 1 621 . 1 1 54 54 ILE CA C 13 61.692 0.300 . 1 . . . . 54 ILE CA . 11232 1 622 . 1 1 54 54 ILE CB C 13 37.737 0.300 . 1 . . . . 54 ILE CB . 11232 1 623 . 1 1 54 54 ILE CD1 C 13 12.165 0.300 . 1 . . . . 54 ILE CD1 . 11232 1 624 . 1 1 54 54 ILE CG1 C 13 27.016 0.300 . 1 . . . . 54 ILE CG1 . 11232 1 625 . 1 1 54 54 ILE CG2 C 13 17.627 0.300 . 1 . . . . 54 ILE CG2 . 11232 1 626 . 1 1 54 54 ILE N N 15 125.438 0.300 . 1 . . . . 54 ILE N . 11232 1 627 . 1 1 55 55 SER H H 1 7.440 0.030 . 1 . . . . 55 SER H . 11232 1 628 . 1 1 55 55 SER HA H 1 4.571 0.030 . 1 . . . . 55 SER HA . 11232 1 629 . 1 1 55 55 SER HB2 H 1 3.516 0.030 . 2 . . . . 55 SER HB2 . 11232 1 630 . 1 1 55 55 SER HB3 H 1 3.669 0.030 . 2 . . . . 55 SER HB3 . 11232 1 631 . 1 1 55 55 SER C C 13 171.899 0.300 . 1 . . . . 55 SER C . 11232 1 632 . 1 1 55 55 SER CA C 13 57.596 0.300 . 1 . . . . 55 SER CA . 11232 1 633 . 1 1 55 55 SER CB C 13 64.441 0.300 . 1 . . . . 55 SER CB . 11232 1 634 . 1 1 55 55 SER N N 15 112.760 0.300 . 1 . . . . 55 SER N . 11232 1 635 . 1 1 56 56 HIS H H 1 7.967 0.030 . 1 . . . . 56 HIS H . 11232 1 636 . 1 1 56 56 HIS HA H 1 5.016 0.030 . 1 . . . . 56 HIS HA . 11232 1 637 . 1 1 56 56 HIS HB2 H 1 2.763 0.030 . 2 . . . . 56 HIS HB2 . 11232 1 638 . 1 1 56 56 HIS HB3 H 1 2.977 0.030 . 2 . . . . 56 HIS HB3 . 11232 1 639 . 1 1 56 56 HIS HD2 H 1 6.837 0.030 . 1 . . . . 56 HIS HD2 . 11232 1 640 . 1 1 56 56 HIS HE1 H 1 8.226 0.030 . 1 . . . . 56 HIS HE1 . 11232 1 641 . 1 1 56 56 HIS C C 13 171.331 0.300 . 1 . . . . 56 HIS C . 11232 1 642 . 1 1 56 56 HIS CA C 13 53.146 0.300 . 1 . . . . 56 HIS CA . 11232 1 643 . 1 1 56 56 HIS CB C 13 29.180 0.300 . 1 . . . . 56 HIS CB . 11232 1 644 . 1 1 56 56 HIS CD2 C 13 126.842 0.300 . 1 . . . . 56 HIS CD2 . 11232 1 645 . 1 1 56 56 HIS CE1 C 13 139.647 0.300 . 1 . . . . 56 HIS CE1 . 11232 1 646 . 1 1 56 56 HIS N N 15 119.317 0.300 . 1 . . . . 56 HIS N . 11232 1 647 . 1 1 57 57 PRO HA H 1 4.648 0.030 . 1 . . . . 57 PRO HA . 11232 1 648 . 1 1 57 57 PRO HB2 H 1 2.602 0.030 . 2 . . . . 57 PRO HB2 . 11232 1 649 . 1 1 57 57 PRO HB3 H 1 1.967 0.030 . 2 . . . . 57 PRO HB3 . 11232 1 650 . 1 1 57 57 PRO HD2 H 1 2.594 0.030 . 2 . . . . 57 PRO HD2 . 11232 1 651 . 1 1 57 57 PRO HD3 H 1 2.426 0.030 . 2 . . . . 57 PRO HD3 . 11232 1 652 . 1 1 57 57 PRO HG2 H 1 1.743 0.030 . 2 . . . . 57 PRO HG2 . 11232 1 653 . 1 1 57 57 PRO HG3 H 1 1.669 0.030 . 2 . . . . 57 PRO HG3 . 11232 1 654 . 1 1 57 57 PRO CA C 13 62.634 0.300 . 1 . . . . 57 PRO CA . 11232 1 655 . 1 1 57 57 PRO CB C 13 32.881 0.300 . 1 . . . . 57 PRO CB . 11232 1 656 . 1 1 57 57 PRO CD C 13 50.672 0.300 . 1 . . . . 57 PRO CD . 11232 1 657 . 1 1 57 57 PRO CG C 13 29.092 0.300 . 1 . . . . 57 PRO CG . 11232 1 658 . 1 1 58 58 THR H H 1 8.240 0.030 . 1 . . . . 58 THR H . 11232 1 659 . 1 1 58 58 THR HA H 1 4.097 0.030 . 1 . . . . 58 THR HA . 11232 1 660 . 1 1 58 58 THR HB H 1 4.225 0.030 . 1 . . . . 58 THR HB . 11232 1 661 . 1 1 58 58 THR HG21 H 1 1.332 0.030 . 1 . . . . 58 THR HG2 . 11232 1 662 . 1 1 58 58 THR HG22 H 1 1.332 0.030 . 1 . . . . 58 THR HG2 . 11232 1 663 . 1 1 58 58 THR HG23 H 1 1.332 0.030 . 1 . . . . 58 THR HG2 . 11232 1 664 . 1 1 58 58 THR C C 13 175.229 0.300 . 1 . . . . 58 THR C . 11232 1 665 . 1 1 58 58 THR CA C 13 65.387 0.300 . 1 . . . . 58 THR CA . 11232 1 666 . 1 1 58 58 THR CB C 13 68.723 0.300 . 1 . . . . 58 THR CB . 11232 1 667 . 1 1 58 58 THR CG2 C 13 22.069 0.300 . 1 . . . . 58 THR CG2 . 11232 1 668 . 1 1 59 59 ASP H H 1 8.440 0.030 . 1 . . . . 59 ASP H . 11232 1 669 . 1 1 59 59 ASP HA H 1 4.643 0.030 . 1 . . . . 59 ASP HA . 11232 1 670 . 1 1 59 59 ASP HB2 H 1 2.723 0.030 . 2 . . . . 59 ASP HB2 . 11232 1 671 . 1 1 59 59 ASP HB3 H 1 2.838 0.030 . 2 . . . . 59 ASP HB3 . 11232 1 672 . 1 1 59 59 ASP C C 13 175.813 0.300 . 1 . . . . 59 ASP C . 11232 1 673 . 1 1 59 59 ASP CA C 13 53.843 0.300 . 1 . . . . 59 ASP CA . 11232 1 674 . 1 1 59 59 ASP CB C 13 40.053 0.300 . 1 . . . . 59 ASP CB . 11232 1 675 . 1 1 59 59 ASP N N 15 117.299 0.300 . 1 . . . . 59 ASP N . 11232 1 676 . 1 1 60 60 TYR H H 1 7.515 0.030 . 1 . . . . 60 TYR H . 11232 1 677 . 1 1 60 60 TYR HA H 1 4.634 0.030 . 1 . . . . 60 TYR HA . 11232 1 678 . 1 1 60 60 TYR HB2 H 1 3.226 0.030 . 2 . . . . 60 TYR HB2 . 11232 1 679 . 1 1 60 60 TYR HB3 H 1 2.797 0.030 . 2 . . . . 60 TYR HB3 . 11232 1 680 . 1 1 60 60 TYR HD1 H 1 6.870 0.030 . 1 . . . . 60 TYR HD1 . 11232 1 681 . 1 1 60 60 TYR HD2 H 1 6.870 0.030 . 1 . . . . 60 TYR HD2 . 11232 1 682 . 1 1 60 60 TYR HE1 H 1 6.664 0.030 . 1 . . . . 60 TYR HE1 . 11232 1 683 . 1 1 60 60 TYR HE2 H 1 6.664 0.030 . 1 . . . . 60 TYR HE2 . 11232 1 684 . 1 1 60 60 TYR C C 13 175.494 0.300 . 1 . . . . 60 TYR C . 11232 1 685 . 1 1 60 60 TYR CA C 13 58.335 0.300 . 1 . . . . 60 TYR CA . 11232 1 686 . 1 1 60 60 TYR CB C 13 39.055 0.300 . 1 . . . . 60 TYR CB . 11232 1 687 . 1 1 60 60 TYR CD1 C 13 133.126 0.300 . 1 . . . . 60 TYR CD1 . 11232 1 688 . 1 1 60 60 TYR CD2 C 13 133.126 0.300 . 1 . . . . 60 TYR CD2 . 11232 1 689 . 1 1 60 60 TYR CE1 C 13 118.496 0.300 . 1 . . . . 60 TYR CE1 . 11232 1 690 . 1 1 60 60 TYR CE2 C 13 118.496 0.300 . 1 . . . . 60 TYR CE2 . 11232 1 691 . 1 1 60 60 TYR N N 15 120.388 0.300 . 1 . . . . 60 TYR N . 11232 1 692 . 1 1 61 61 GLN H H 1 8.518 0.030 . 1 . . . . 61 GLN H . 11232 1 693 . 1 1 61 61 GLN HA H 1 4.278 0.030 . 1 . . . . 61 GLN HA . 11232 1 694 . 1 1 61 61 GLN HB2 H 1 2.163 0.030 . 2 . . . . 61 GLN HB2 . 11232 1 695 . 1 1 61 61 GLN HB3 H 1 1.675 0.030 . 2 . . . . 61 GLN HB3 . 11232 1 696 . 1 1 61 61 GLN HE21 H 1 7.386 0.030 . 2 . . . . 61 GLN HE21 . 11232 1 697 . 1 1 61 61 GLN HE22 H 1 6.792 0.030 . 2 . . . . 61 GLN HE22 . 11232 1 698 . 1 1 61 61 GLN HG2 H 1 2.259 0.030 . 2 . . . . 61 GLN HG2 . 11232 1 699 . 1 1 61 61 GLN HG3 H 1 2.290 0.030 . 2 . . . . 61 GLN HG3 . 11232 1 700 . 1 1 61 61 GLN C C 13 175.494 0.300 . 1 . . . . 61 GLN C . 11232 1 701 . 1 1 61 61 GLN CA C 13 54.610 0.300 . 1 . . . . 61 GLN CA . 11232 1 702 . 1 1 61 61 GLN CB C 13 29.481 0.300 . 1 . . . . 61 GLN CB . 11232 1 703 . 1 1 61 61 GLN CG C 13 33.639 0.300 . 1 . . . . 61 GLN CG . 11232 1 704 . 1 1 61 61 GLN N N 15 127.336 0.300 . 1 . . . . 61 GLN N . 11232 1 705 . 1 1 61 61 GLN NE2 N 15 112.376 0.300 . 1 . . . . 61 GLN NE2 . 11232 1 706 . 1 1 62 62 GLY H H 1 5.565 0.030 . 1 . . . . 62 GLY H . 11232 1 707 . 1 1 62 62 GLY HA2 H 1 3.887 0.030 . 2 . . . . 62 GLY HA2 . 11232 1 708 . 1 1 62 62 GLY HA3 H 1 3.448 0.030 . 2 . . . . 62 GLY HA3 . 11232 1 709 . 1 1 62 62 GLY C C 13 171.887 0.300 . 1 . . . . 62 GLY C . 11232 1 710 . 1 1 62 62 GLY CA C 13 44.989 0.300 . 1 . . . . 62 GLY CA . 11232 1 711 . 1 1 62 62 GLY N N 15 106.016 0.300 . 1 . . . . 62 GLY N . 11232 1 712 . 1 1 63 63 GLU H H 1 8.044 0.030 . 1 . . . . 63 GLU H . 11232 1 713 . 1 1 63 63 GLU HA H 1 4.440 0.030 . 1 . . . . 63 GLU HA . 11232 1 714 . 1 1 63 63 GLU HB2 H 1 2.021 0.030 . 2 . . . . 63 GLU HB2 . 11232 1 715 . 1 1 63 63 GLU HB3 H 1 1.894 0.030 . 2 . . . . 63 GLU HB3 . 11232 1 716 . 1 1 63 63 GLU HG2 H 1 2.156 0.030 . 1 . . . . 63 GLU HG2 . 11232 1 717 . 1 1 63 63 GLU HG3 H 1 2.156 0.030 . 1 . . . . 63 GLU HG3 . 11232 1 718 . 1 1 63 63 GLU C C 13 176.092 0.300 . 1 . . . . 63 GLU C . 11232 1 719 . 1 1 63 63 GLU CA C 13 55.395 0.300 . 1 . . . . 63 GLU CA . 11232 1 720 . 1 1 63 63 GLU CB C 13 31.885 0.300 . 1 . . . . 63 GLU CB . 11232 1 721 . 1 1 63 63 GLU CG C 13 35.927 0.300 . 1 . . . . 63 GLU CG . 11232 1 722 . 1 1 63 63 GLU N N 15 117.019 0.300 . 1 . . . . 63 GLU N . 11232 1 723 . 1 1 64 64 ILE H H 1 8.597 0.030 . 1 . . . . 64 ILE H . 11232 1 724 . 1 1 64 64 ILE HA H 1 4.128 0.030 . 1 . . . . 64 ILE HA . 11232 1 725 . 1 1 64 64 ILE HB H 1 2.017 0.030 . 1 . . . . 64 ILE HB . 11232 1 726 . 1 1 64 64 ILE HD11 H 1 1.013 0.030 . 1 . . . . 64 ILE HD1 . 11232 1 727 . 1 1 64 64 ILE HD12 H 1 1.013 0.030 . 1 . . . . 64 ILE HD1 . 11232 1 728 . 1 1 64 64 ILE HD13 H 1 1.013 0.030 . 1 . . . . 64 ILE HD1 . 11232 1 729 . 1 1 64 64 ILE HG12 H 1 1.769 0.030 . 2 . . . . 64 ILE HG12 . 11232 1 730 . 1 1 64 64 ILE HG13 H 1 1.308 0.030 . 2 . . . . 64 ILE HG13 . 11232 1 731 . 1 1 64 64 ILE HG21 H 1 0.932 0.030 . 1 . . . . 64 ILE HG2 . 11232 1 732 . 1 1 64 64 ILE HG22 H 1 0.932 0.030 . 1 . . . . 64 ILE HG2 . 11232 1 733 . 1 1 64 64 ILE HG23 H 1 0.932 0.030 . 1 . . . . 64 ILE HG2 . 11232 1 734 . 1 1 64 64 ILE C C 13 176.176 0.300 . 1 . . . . 64 ILE C . 11232 1 735 . 1 1 64 64 ILE CA C 13 61.708 0.300 . 1 . . . . 64 ILE CA . 11232 1 736 . 1 1 64 64 ILE CB C 13 37.707 0.300 . 1 . . . . 64 ILE CB . 11232 1 737 . 1 1 64 64 ILE CD1 C 13 13.048 0.300 . 1 . . . . 64 ILE CD1 . 11232 1 738 . 1 1 64 64 ILE CG1 C 13 27.666 0.300 . 1 . . . . 64 ILE CG1 . 11232 1 739 . 1 1 64 64 ILE CG2 C 13 17.593 0.300 . 1 . . . . 64 ILE CG2 . 11232 1 740 . 1 1 64 64 ILE N N 15 122.478 0.300 . 1 . . . . 64 ILE N . 11232 1 741 . 1 1 65 65 LYS H H 1 8.431 0.030 . 1 . . . . 65 LYS H . 11232 1 742 . 1 1 65 65 LYS HA H 1 4.553 0.030 . 1 . . . . 65 LYS HA . 11232 1 743 . 1 1 65 65 LYS HB2 H 1 1.972 0.030 . 2 . . . . 65 LYS HB2 . 11232 1 744 . 1 1 65 65 LYS HB3 H 1 1.825 0.030 . 2 . . . . 65 LYS HB3 . 11232 1 745 . 1 1 65 65 LYS HD2 H 1 1.741 0.030 . 1 . . . . 65 LYS HD2 . 11232 1 746 . 1 1 65 65 LYS HD3 H 1 1.741 0.030 . 1 . . . . 65 LYS HD3 . 11232 1 747 . 1 1 65 65 LYS HE2 H 1 2.980 0.030 . 1 . . . . 65 LYS HE2 . 11232 1 748 . 1 1 65 65 LYS HE3 H 1 2.980 0.030 . 1 . . . . 65 LYS HE3 . 11232 1 749 . 1 1 65 65 LYS HG2 H 1 1.514 0.030 . 2 . . . . 65 LYS HG2 . 11232 1 750 . 1 1 65 65 LYS HG3 H 1 1.449 0.030 . 2 . . . . 65 LYS HG3 . 11232 1 751 . 1 1 65 65 LYS C C 13 176.035 0.300 . 1 . . . . 65 LYS C . 11232 1 752 . 1 1 65 65 LYS CA C 13 56.147 0.300 . 1 . . . . 65 LYS CA . 11232 1 753 . 1 1 65 65 LYS CB C 13 33.702 0.300 . 1 . . . . 65 LYS CB . 11232 1 754 . 1 1 65 65 LYS CD C 13 28.999 0.300 . 1 . . . . 65 LYS CD . 11232 1 755 . 1 1 65 65 LYS CE C 13 42.056 0.300 . 1 . . . . 65 LYS CE . 11232 1 756 . 1 1 65 65 LYS CG C 13 25.054 0.300 . 1 . . . . 65 LYS CG . 11232 1 757 . 1 1 65 65 LYS N N 15 126.605 0.300 . 1 . . . . 65 LYS N . 11232 1 758 . 1 1 66 66 GLN H H 1 8.326 0.030 . 1 . . . . 66 GLN H . 11232 1 759 . 1 1 66 66 GLN HA H 1 4.677 0.030 . 1 . . . . 66 GLN HA . 11232 1 760 . 1 1 66 66 GLN HB2 H 1 2.064 0.030 . 2 . . . . 66 GLN HB2 . 11232 1 761 . 1 1 66 66 GLN HB3 H 1 2.184 0.030 . 2 . . . . 66 GLN HB3 . 11232 1 762 . 1 1 66 66 GLN HE21 H 1 7.744 0.030 . 2 . . . . 66 GLN HE21 . 11232 1 763 . 1 1 66 66 GLN HE22 H 1 6.910 0.030 . 2 . . . . 66 GLN HE22 . 11232 1 764 . 1 1 66 66 GLN HG2 H 1 2.381 0.030 . 2 . . . . 66 GLN HG2 . 11232 1 765 . 1 1 66 66 GLN HG3 H 1 2.405 0.030 . 2 . . . . 66 GLN HG3 . 11232 1 766 . 1 1 66 66 GLN C C 13 175.672 0.300 . 1 . . . . 66 GLN C . 11232 1 767 . 1 1 66 66 GLN CA C 13 55.278 0.300 . 1 . . . . 66 GLN CA . 11232 1 768 . 1 1 66 66 GLN CB C 13 30.014 0.300 . 1 . . . . 66 GLN CB . 11232 1 769 . 1 1 66 66 GLN CG C 13 34.066 0.300 . 1 . . . . 66 GLN CG . 11232 1 770 . 1 1 66 66 GLN N N 15 119.452 0.300 . 1 . . . . 66 GLN N . 11232 1 771 . 1 1 66 66 GLN NE2 N 15 112.672 0.300 . 1 . . . . 66 GLN NE2 . 11232 1 772 . 1 1 67 67 GLY H H 1 8.457 0.030 . 1 . . . . 67 GLY H . 11232 1 773 . 1 1 67 67 GLY HA2 H 1 4.402 0.030 . 2 . . . . 67 GLY HA2 . 11232 1 774 . 1 1 67 67 GLY HA3 H 1 3.889 0.030 . 2 . . . . 67 GLY HA3 . 11232 1 775 . 1 1 67 67 GLY C C 13 173.663 0.300 . 1 . . . . 67 GLY C . 11232 1 776 . 1 1 67 67 GLY CA C 13 45.972 0.300 . 1 . . . . 67 GLY CA . 11232 1 777 . 1 1 67 67 GLY N N 15 109.609 0.300 . 1 . . . . 67 GLY N . 11232 1 778 . 1 1 68 68 HIS H H 1 8.502 0.030 . 1 . . . . 68 HIS H . 11232 1 779 . 1 1 68 68 HIS HA H 1 5.718 0.030 . 1 . . . . 68 HIS HA . 11232 1 780 . 1 1 68 68 HIS HB2 H 1 3.682 0.030 . 2 . . . . 68 HIS HB2 . 11232 1 781 . 1 1 68 68 HIS HB3 H 1 3.162 0.030 . 2 . . . . 68 HIS HB3 . 11232 1 782 . 1 1 68 68 HIS HD2 H 1 7.283 0.030 . 1 . . . . 68 HIS HD2 . 11232 1 783 . 1 1 68 68 HIS HE1 H 1 8.167 0.030 . 1 . . . . 68 HIS HE1 . 11232 1 784 . 1 1 68 68 HIS C C 13 175.268 0.300 . 1 . . . . 68 HIS C . 11232 1 785 . 1 1 68 68 HIS CA C 13 55.292 0.300 . 1 . . . . 68 HIS CA . 11232 1 786 . 1 1 68 68 HIS CB C 13 30.053 0.300 . 1 . . . . 68 HIS CB . 11232 1 787 . 1 1 68 68 HIS CD2 C 13 120.078 0.300 . 1 . . . . 68 HIS CD2 . 11232 1 788 . 1 1 68 68 HIS CE1 C 13 137.161 0.300 . 1 . . . . 68 HIS CE1 . 11232 1 789 . 1 1 68 68 HIS N N 15 118.509 0.300 . 1 . . . . 68 HIS N . 11232 1 790 . 1 1 69 69 LYS H H 1 8.857 0.030 . 1 . . . . 69 LYS H . 11232 1 791 . 1 1 69 69 LYS HA H 1 4.875 0.030 . 1 . . . . 69 LYS HA . 11232 1 792 . 1 1 69 69 LYS HB2 H 1 2.058 0.030 . 2 . . . . 69 LYS HB2 . 11232 1 793 . 1 1 69 69 LYS HB3 H 1 2.104 0.030 . 2 . . . . 69 LYS HB3 . 11232 1 794 . 1 1 69 69 LYS HD2 H 1 1.745 0.030 . 1 . . . . 69 LYS HD2 . 11232 1 795 . 1 1 69 69 LYS HD3 H 1 1.745 0.030 . 1 . . . . 69 LYS HD3 . 11232 1 796 . 1 1 69 69 LYS HE2 H 1 3.033 0.030 . 1 . . . . 69 LYS HE2 . 11232 1 797 . 1 1 69 69 LYS HE3 H 1 3.033 0.030 . 1 . . . . 69 LYS HE3 . 11232 1 798 . 1 1 69 69 LYS HG2 H 1 1.433 0.030 . 1 . . . . 69 LYS HG2 . 11232 1 799 . 1 1 69 69 LYS HG3 H 1 1.433 0.030 . 1 . . . . 69 LYS HG3 . 11232 1 800 . 1 1 69 69 LYS C C 13 174.386 0.300 . 1 . . . . 69 LYS C . 11232 1 801 . 1 1 69 69 LYS CA C 13 54.568 0.300 . 1 . . . . 69 LYS CA . 11232 1 802 . 1 1 69 69 LYS CB C 13 35.203 0.300 . 1 . . . . 69 LYS CB . 11232 1 803 . 1 1 69 69 LYS CD C 13 29.132 0.300 . 1 . . . . 69 LYS CD . 11232 1 804 . 1 1 69 69 LYS CE C 13 42.247 0.300 . 1 . . . . 69 LYS CE . 11232 1 805 . 1 1 69 69 LYS CG C 13 24.913 0.300 . 1 . . . . 69 LYS CG . 11232 1 806 . 1 1 69 69 LYS N N 15 121.430 0.300 . 1 . . . . 69 LYS N . 11232 1 807 . 1 1 70 70 GLN H H 1 8.253 0.030 . 1 . . . . 70 GLN H . 11232 1 808 . 1 1 70 70 GLN HA H 1 2.868 0.030 . 1 . . . . 70 GLN HA . 11232 1 809 . 1 1 70 70 GLN HB2 H 1 1.614 0.030 . 2 . . . . 70 GLN HB2 . 11232 1 810 . 1 1 70 70 GLN HB3 H 1 1.317 0.030 . 2 . . . . 70 GLN HB3 . 11232 1 811 . 1 1 70 70 GLN HE21 H 1 7.547 0.030 . 2 . . . . 70 GLN HE21 . 11232 1 812 . 1 1 70 70 GLN HE22 H 1 6.726 0.030 . 2 . . . . 70 GLN HE22 . 11232 1 813 . 1 1 70 70 GLN HG2 H 1 2.117 0.030 . 1 . . . . 70 GLN HG2 . 11232 1 814 . 1 1 70 70 GLN HG3 H 1 2.117 0.030 . 1 . . . . 70 GLN HG3 . 11232 1 815 . 1 1 70 70 GLN C C 13 175.040 0.300 . 1 . . . . 70 GLN C . 11232 1 816 . 1 1 70 70 GLN CA C 13 58.422 0.300 . 1 . . . . 70 GLN CA . 11232 1 817 . 1 1 70 70 GLN CB C 13 28.270 0.300 . 1 . . . . 70 GLN CB . 11232 1 818 . 1 1 70 70 GLN CG C 13 33.381 0.300 . 1 . . . . 70 GLN CG . 11232 1 819 . 1 1 70 70 GLN N N 15 118.504 0.300 . 1 . . . . 70 GLN N . 11232 1 820 . 1 1 70 70 GLN NE2 N 15 110.375 0.300 . 1 . . . . 70 GLN NE2 . 11232 1 821 . 1 1 71 71 THR H H 1 6.958 0.030 . 1 . . . . 71 THR H . 11232 1 822 . 1 1 71 71 THR HA H 1 5.085 0.030 . 1 . . . . 71 THR HA . 11232 1 823 . 1 1 71 71 THR HB H 1 3.835 0.030 . 1 . . . . 71 THR HB . 11232 1 824 . 1 1 71 71 THR HG21 H 1 0.926 0.030 . 1 . . . . 71 THR HG2 . 11232 1 825 . 1 1 71 71 THR HG22 H 1 0.926 0.030 . 1 . . . . 71 THR HG2 . 11232 1 826 . 1 1 71 71 THR HG23 H 1 0.926 0.030 . 1 . . . . 71 THR HG2 . 11232 1 827 . 1 1 71 71 THR C C 13 172.882 0.300 . 1 . . . . 71 THR C . 11232 1 828 . 1 1 71 71 THR CA C 13 58.823 0.300 . 1 . . . . 71 THR CA . 11232 1 829 . 1 1 71 71 THR CB C 13 70.836 0.300 . 1 . . . . 71 THR CB . 11232 1 830 . 1 1 71 71 THR CG2 C 13 21.834 0.300 . 1 . . . . 71 THR CG2 . 11232 1 831 . 1 1 71 71 THR N N 15 106.435 0.300 . 1 . . . . 71 THR N . 11232 1 832 . 1 1 72 72 LEU H H 1 8.512 0.030 . 1 . . . . 72 LEU H . 11232 1 833 . 1 1 72 72 LEU HA H 1 4.068 0.030 . 1 . . . . 72 LEU HA . 11232 1 834 . 1 1 72 72 LEU HB2 H 1 0.025 0.030 . 2 . . . . 72 LEU HB2 . 11232 1 835 . 1 1 72 72 LEU HB3 H 1 -0.842 0.030 . 2 . . . . 72 LEU HB3 . 11232 1 836 . 1 1 72 72 LEU HD11 H 1 0.543 0.030 . 1 . . . . 72 LEU HD1 . 11232 1 837 . 1 1 72 72 LEU HD12 H 1 0.543 0.030 . 1 . . . . 72 LEU HD1 . 11232 1 838 . 1 1 72 72 LEU HD13 H 1 0.543 0.030 . 1 . . . . 72 LEU HD1 . 11232 1 839 . 1 1 72 72 LEU HD21 H 1 0.074 0.030 . 1 . . . . 72 LEU HD2 . 11232 1 840 . 1 1 72 72 LEU HD22 H 1 0.074 0.030 . 1 . . . . 72 LEU HD2 . 11232 1 841 . 1 1 72 72 LEU HD23 H 1 0.074 0.030 . 1 . . . . 72 LEU HD2 . 11232 1 842 . 1 1 72 72 LEU HG H 1 0.603 0.030 . 1 . . . . 72 LEU HG . 11232 1 843 . 1 1 72 72 LEU C C 13 173.718 0.300 . 1 . . . . 72 LEU C . 11232 1 844 . 1 1 72 72 LEU CA C 13 53.182 0.300 . 1 . . . . 72 LEU CA . 11232 1 845 . 1 1 72 72 LEU CB C 13 42.944 0.300 . 1 . . . . 72 LEU CB . 11232 1 846 . 1 1 72 72 LEU CD1 C 13 23.497 0.300 . 2 . . . . 72 LEU CD1 . 11232 1 847 . 1 1 72 72 LEU CD2 C 13 26.120 0.300 . 2 . . . . 72 LEU CD2 . 11232 1 848 . 1 1 72 72 LEU CG C 13 26.491 0.300 . 1 . . . . 72 LEU CG . 11232 1 849 . 1 1 72 72 LEU N N 15 125.760 0.300 . 1 . . . . 72 LEU N . 11232 1 850 . 1 1 73 73 ASN H H 1 8.256 0.030 . 1 . . . . 73 ASN H . 11232 1 851 . 1 1 73 73 ASN HA H 1 5.103 0.030 . 1 . . . . 73 ASN HA . 11232 1 852 . 1 1 73 73 ASN HB2 H 1 2.594 0.030 . 2 . . . . 73 ASN HB2 . 11232 1 853 . 1 1 73 73 ASN HB3 H 1 2.394 0.030 . 2 . . . . 73 ASN HB3 . 11232 1 854 . 1 1 73 73 ASN HD21 H 1 7.520 0.030 . 2 . . . . 73 ASN HD21 . 11232 1 855 . 1 1 73 73 ASN HD22 H 1 7.324 0.030 . 2 . . . . 73 ASN HD22 . 11232 1 856 . 1 1 73 73 ASN C C 13 173.543 0.300 . 1 . . . . 73 ASN C . 11232 1 857 . 1 1 73 73 ASN CA C 13 53.254 0.300 . 1 . . . . 73 ASN CA . 11232 1 858 . 1 1 73 73 ASN CB C 13 40.892 0.300 . 1 . . . . 73 ASN CB . 11232 1 859 . 1 1 73 73 ASN N N 15 124.959 0.300 . 1 . . . . 73 ASN N . 11232 1 860 . 1 1 73 73 ASN ND2 N 15 112.403 0.300 . 1 . . . . 73 ASN ND2 . 11232 1 861 . 1 1 74 74 LEU H H 1 8.395 0.030 . 1 . . . . 74 LEU H . 11232 1 862 . 1 1 74 74 LEU HA H 1 4.682 0.030 . 1 . . . . 74 LEU HA . 11232 1 863 . 1 1 74 74 LEU HB2 H 1 1.352 0.030 . 2 . . . . 74 LEU HB2 . 11232 1 864 . 1 1 74 74 LEU HB3 H 1 1.379 0.030 . 2 . . . . 74 LEU HB3 . 11232 1 865 . 1 1 74 74 LEU HD11 H 1 0.638 0.030 . 1 . . . . 74 LEU HD1 . 11232 1 866 . 1 1 74 74 LEU HD12 H 1 0.638 0.030 . 1 . . . . 74 LEU HD1 . 11232 1 867 . 1 1 74 74 LEU HD13 H 1 0.638 0.030 . 1 . . . . 74 LEU HD1 . 11232 1 868 . 1 1 74 74 LEU HD21 H 1 0.761 0.030 . 1 . . . . 74 LEU HD2 . 11232 1 869 . 1 1 74 74 LEU HD22 H 1 0.761 0.030 . 1 . . . . 74 LEU HD2 . 11232 1 870 . 1 1 74 74 LEU HD23 H 1 0.761 0.030 . 1 . . . . 74 LEU HD2 . 11232 1 871 . 1 1 74 74 LEU HG H 1 1.346 0.030 . 1 . . . . 74 LEU HG . 11232 1 872 . 1 1 74 74 LEU C C 13 175.335 0.300 . 1 . . . . 74 LEU C . 11232 1 873 . 1 1 74 74 LEU CA C 13 53.891 0.300 . 1 . . . . 74 LEU CA . 11232 1 874 . 1 1 74 74 LEU CB C 13 45.498 0.300 . 1 . . . . 74 LEU CB . 11232 1 875 . 1 1 74 74 LEU CD1 C 13 25.555 0.300 . 2 . . . . 74 LEU CD1 . 11232 1 876 . 1 1 74 74 LEU CD2 C 13 24.299 0.300 . 2 . . . . 74 LEU CD2 . 11232 1 877 . 1 1 74 74 LEU CG C 13 27.168 0.300 . 1 . . . . 74 LEU CG . 11232 1 878 . 1 1 74 74 LEU N N 15 123.673 0.300 . 1 . . . . 74 LEU N . 11232 1 879 . 1 1 75 75 SER H H 1 8.201 0.030 . 1 . . . . 75 SER H . 11232 1 880 . 1 1 75 75 SER HA H 1 5.016 0.030 . 1 . . . . 75 SER HA . 11232 1 881 . 1 1 75 75 SER HB2 H 1 3.845 0.030 . 2 . . . . 75 SER HB2 . 11232 1 882 . 1 1 75 75 SER HB3 H 1 3.907 0.030 . 2 . . . . 75 SER HB3 . 11232 1 883 . 1 1 75 75 SER C C 13 172.756 0.300 . 1 . . . . 75 SER C . 11232 1 884 . 1 1 75 75 SER CA C 13 56.828 0.300 . 1 . . . . 75 SER CA . 11232 1 885 . 1 1 75 75 SER CB C 13 65.767 0.300 . 1 . . . . 75 SER CB . 11232 1 886 . 1 1 75 75 SER N N 15 115.218 0.300 . 1 . . . . 75 SER N . 11232 1 887 . 1 1 76 76 GLN H H 1 8.501 0.030 . 1 . . . . 76 GLN H . 11232 1 888 . 1 1 76 76 GLN HA H 1 3.805 0.030 . 1 . . . . 76 GLN HA . 11232 1 889 . 1 1 76 76 GLN HB2 H 1 2.224 0.030 . 2 . . . . 76 GLN HB2 . 11232 1 890 . 1 1 76 76 GLN HB3 H 1 2.289 0.030 . 2 . . . . 76 GLN HB3 . 11232 1 891 . 1 1 76 76 GLN HE21 H 1 6.844 0.030 . 2 . . . . 76 GLN HE21 . 11232 1 892 . 1 1 76 76 GLN HE22 H 1 7.523 0.030 . 2 . . . . 76 GLN HE22 . 11232 1 893 . 1 1 76 76 GLN HG2 H 1 2.301 0.030 . 2 . . . . 76 GLN HG2 . 11232 1 894 . 1 1 76 76 GLN HG3 H 1 2.333 0.030 . 2 . . . . 76 GLN HG3 . 11232 1 895 . 1 1 76 76 GLN C C 13 175.588 0.300 . 1 . . . . 76 GLN C . 11232 1 896 . 1 1 76 76 GLN CA C 13 56.606 0.300 . 1 . . . . 76 GLN CA . 11232 1 897 . 1 1 76 76 GLN CB C 13 26.241 0.300 . 1 . . . . 76 GLN CB . 11232 1 898 . 1 1 76 76 GLN CG C 13 34.371 0.300 . 1 . . . . 76 GLN CG . 11232 1 899 . 1 1 76 76 GLN N N 15 114.338 0.300 . 1 . . . . 76 GLN N . 11232 1 900 . 1 1 76 76 GLN NE2 N 15 112.376 0.300 . 1 . . . . 76 GLN NE2 . 11232 1 901 . 1 1 77 77 LEU H H 1 8.129 0.030 . 1 . . . . 77 LEU H . 11232 1 902 . 1 1 77 77 LEU HA H 1 4.129 0.030 . 1 . . . . 77 LEU HA . 11232 1 903 . 1 1 77 77 LEU HB2 H 1 1.142 0.030 . 2 . . . . 77 LEU HB2 . 11232 1 904 . 1 1 77 77 LEU HB3 H 1 1.259 0.030 . 2 . . . . 77 LEU HB3 . 11232 1 905 . 1 1 77 77 LEU HD11 H 1 0.165 0.030 . 1 . . . . 77 LEU HD1 . 11232 1 906 . 1 1 77 77 LEU HD12 H 1 0.165 0.030 . 1 . . . . 77 LEU HD1 . 11232 1 907 . 1 1 77 77 LEU HD13 H 1 0.165 0.030 . 1 . . . . 77 LEU HD1 . 11232 1 908 . 1 1 77 77 LEU HD21 H 1 0.075 0.030 . 1 . . . . 77 LEU HD2 . 11232 1 909 . 1 1 77 77 LEU HD22 H 1 0.075 0.030 . 1 . . . . 77 LEU HD2 . 11232 1 910 . 1 1 77 77 LEU HD23 H 1 0.075 0.030 . 1 . . . . 77 LEU HD2 . 11232 1 911 . 1 1 77 77 LEU HG H 1 1.234 0.030 . 1 . . . . 77 LEU HG . 11232 1 912 . 1 1 77 77 LEU C C 13 176.427 0.300 . 1 . . . . 77 LEU C . 11232 1 913 . 1 1 77 77 LEU CA C 13 56.493 0.300 . 1 . . . . 77 LEU CA . 11232 1 914 . 1 1 77 77 LEU CB C 13 42.216 0.300 . 1 . . . . 77 LEU CB . 11232 1 915 . 1 1 77 77 LEU CD1 C 13 25.130 0.300 . 2 . . . . 77 LEU CD1 . 11232 1 916 . 1 1 77 77 LEU CD2 C 13 21.446 0.300 . 2 . . . . 77 LEU CD2 . 11232 1 917 . 1 1 77 77 LEU CG C 13 26.541 0.300 . 1 . . . . 77 LEU CG . 11232 1 918 . 1 1 77 77 LEU N N 15 117.706 0.300 . 1 . . . . 77 LEU N . 11232 1 919 . 1 1 78 78 SER H H 1 7.229 0.030 . 1 . . . . 78 SER H . 11232 1 920 . 1 1 78 78 SER HA H 1 4.738 0.030 . 1 . . . . 78 SER HA . 11232 1 921 . 1 1 78 78 SER HB2 H 1 4.158 0.030 . 2 . . . . 78 SER HB2 . 11232 1 922 . 1 1 78 78 SER HB3 H 1 3.940 0.030 . 2 . . . . 78 SER HB3 . 11232 1 923 . 1 1 78 78 SER C C 13 175.702 0.300 . 1 . . . . 78 SER C . 11232 1 924 . 1 1 78 78 SER CA C 13 56.539 0.300 . 1 . . . . 78 SER CA . 11232 1 925 . 1 1 78 78 SER CB C 13 65.178 0.300 . 1 . . . . 78 SER CB . 11232 1 926 . 1 1 78 78 SER N N 15 114.478 0.300 . 1 . . . . 78 SER N . 11232 1 927 . 1 1 79 79 VAL H H 1 8.314 0.030 . 1 . . . . 79 VAL H . 11232 1 928 . 1 1 79 79 VAL HA H 1 3.627 0.030 . 1 . . . . 79 VAL HA . 11232 1 929 . 1 1 79 79 VAL HB H 1 2.011 0.030 . 1 . . . . 79 VAL HB . 11232 1 930 . 1 1 79 79 VAL HG11 H 1 1.025 0.030 . 1 . . . . 79 VAL HG1 . 11232 1 931 . 1 1 79 79 VAL HG12 H 1 1.025 0.030 . 1 . . . . 79 VAL HG1 . 11232 1 932 . 1 1 79 79 VAL HG13 H 1 1.025 0.030 . 1 . . . . 79 VAL HG1 . 11232 1 933 . 1 1 79 79 VAL HG21 H 1 1.028 0.030 . 1 . . . . 79 VAL HG2 . 11232 1 934 . 1 1 79 79 VAL HG22 H 1 1.028 0.030 . 1 . . . . 79 VAL HG2 . 11232 1 935 . 1 1 79 79 VAL HG23 H 1 1.028 0.030 . 1 . . . . 79 VAL HG2 . 11232 1 936 . 1 1 79 79 VAL C C 13 175.461 0.300 . 1 . . . . 79 VAL C . 11232 1 937 . 1 1 79 79 VAL CA C 13 64.208 0.300 . 1 . . . . 79 VAL CA . 11232 1 938 . 1 1 79 79 VAL CB C 13 32.725 0.300 . 1 . . . . 79 VAL CB . 11232 1 939 . 1 1 79 79 VAL CG1 C 13 22.215 0.300 . 2 . . . . 79 VAL CG1 . 11232 1 940 . 1 1 79 79 VAL CG2 C 13 21.320 0.300 . 2 . . . . 79 VAL CG2 . 11232 1 941 . 1 1 79 79 VAL N N 15 118.849 0.300 . 1 . . . . 79 VAL N . 11232 1 942 . 1 1 80 80 GLY H H 1 8.848 0.030 . 1 . . . . 80 GLY H . 11232 1 943 . 1 1 80 80 GLY HA2 H 1 4.562 0.030 . 2 . . . . 80 GLY HA2 . 11232 1 944 . 1 1 80 80 GLY HA3 H 1 3.757 0.030 . 2 . . . . 80 GLY HA3 . 11232 1 945 . 1 1 80 80 GLY C C 13 170.272 0.300 . 1 . . . . 80 GLY C . 11232 1 946 . 1 1 80 80 GLY CA C 13 43.751 0.300 . 1 . . . . 80 GLY CA . 11232 1 947 . 1 1 80 80 GLY N N 15 113.050 0.300 . 1 . . . . 80 GLY N . 11232 1 948 . 1 1 81 81 LEU H H 1 7.966 0.030 . 1 . . . . 81 LEU H . 11232 1 949 . 1 1 81 81 LEU HA H 1 5.116 0.030 . 1 . . . . 81 LEU HA . 11232 1 950 . 1 1 81 81 LEU HB2 H 1 1.360 0.030 . 2 . . . . 81 LEU HB2 . 11232 1 951 . 1 1 81 81 LEU HB3 H 1 1.544 0.030 . 2 . . . . 81 LEU HB3 . 11232 1 952 . 1 1 81 81 LEU HD11 H 1 0.770 0.030 . 1 . . . . 81 LEU HD1 . 11232 1 953 . 1 1 81 81 LEU HD12 H 1 0.770 0.030 . 1 . . . . 81 LEU HD1 . 11232 1 954 . 1 1 81 81 LEU HD13 H 1 0.770 0.030 . 1 . . . . 81 LEU HD1 . 11232 1 955 . 1 1 81 81 LEU HD21 H 1 0.857 0.030 . 1 . . . . 81 LEU HD2 . 11232 1 956 . 1 1 81 81 LEU HD22 H 1 0.857 0.030 . 1 . . . . 81 LEU HD2 . 11232 1 957 . 1 1 81 81 LEU HD23 H 1 0.857 0.030 . 1 . . . . 81 LEU HD2 . 11232 1 958 . 1 1 81 81 LEU HG H 1 1.282 0.030 . 1 . . . . 81 LEU HG . 11232 1 959 . 1 1 81 81 LEU C C 13 175.240 0.300 . 1 . . . . 81 LEU C . 11232 1 960 . 1 1 81 81 LEU CA C 13 54.459 0.300 . 1 . . . . 81 LEU CA . 11232 1 961 . 1 1 81 81 LEU CB C 13 43.719 0.300 . 1 . . . . 81 LEU CB . 11232 1 962 . 1 1 81 81 LEU CD1 C 13 25.652 0.300 . 2 . . . . 81 LEU CD1 . 11232 1 963 . 1 1 81 81 LEU CD2 C 13 23.319 0.300 . 2 . . . . 81 LEU CD2 . 11232 1 964 . 1 1 81 81 LEU CG C 13 27.639 0.300 . 1 . . . . 81 LEU CG . 11232 1 965 . 1 1 81 81 LEU N N 15 121.427 0.300 . 1 . . . . 81 LEU N . 11232 1 966 . 1 1 82 82 TYR H H 1 9.559 0.030 . 1 . . . . 82 TYR H . 11232 1 967 . 1 1 82 82 TYR HA H 1 4.820 0.030 . 1 . . . . 82 TYR HA . 11232 1 968 . 1 1 82 82 TYR HB2 H 1 3.107 0.030 . 2 . . . . 82 TYR HB2 . 11232 1 969 . 1 1 82 82 TYR HB3 H 1 2.489 0.030 . 2 . . . . 82 TYR HB3 . 11232 1 970 . 1 1 82 82 TYR HD1 H 1 6.967 0.030 . 1 . . . . 82 TYR HD1 . 11232 1 971 . 1 1 82 82 TYR HD2 H 1 6.967 0.030 . 1 . . . . 82 TYR HD2 . 11232 1 972 . 1 1 82 82 TYR HE1 H 1 6.056 0.030 . 1 . . . . 82 TYR HE1 . 11232 1 973 . 1 1 82 82 TYR HE2 H 1 6.056 0.030 . 1 . . . . 82 TYR HE2 . 11232 1 974 . 1 1 82 82 TYR C C 13 174.668 0.300 . 1 . . . . 82 TYR C . 11232 1 975 . 1 1 82 82 TYR CA C 13 56.276 0.300 . 1 . . . . 82 TYR CA . 11232 1 976 . 1 1 82 82 TYR CB C 13 40.815 0.300 . 1 . . . . 82 TYR CB . 11232 1 977 . 1 1 82 82 TYR CD1 C 13 132.395 0.300 . 1 . . . . 82 TYR CD1 . 11232 1 978 . 1 1 82 82 TYR CD2 C 13 132.395 0.300 . 1 . . . . 82 TYR CD2 . 11232 1 979 . 1 1 82 82 TYR CE1 C 13 117.523 0.300 . 1 . . . . 82 TYR CE1 . 11232 1 980 . 1 1 82 82 TYR CE2 C 13 117.523 0.300 . 1 . . . . 82 TYR CE2 . 11232 1 981 . 1 1 82 82 TYR N N 15 126.571 0.300 . 1 . . . . 82 TYR N . 11232 1 982 . 1 1 83 83 VAL H H 1 8.144 0.030 . 1 . . . . 83 VAL H . 11232 1 983 . 1 1 83 83 VAL HA H 1 4.841 0.030 . 1 . . . . 83 VAL HA . 11232 1 984 . 1 1 83 83 VAL HB H 1 1.854 0.030 . 1 . . . . 83 VAL HB . 11232 1 985 . 1 1 83 83 VAL HG11 H 1 1.065 0.030 . 1 . . . . 83 VAL HG1 . 11232 1 986 . 1 1 83 83 VAL HG12 H 1 1.065 0.030 . 1 . . . . 83 VAL HG1 . 11232 1 987 . 1 1 83 83 VAL HG13 H 1 1.065 0.030 . 1 . . . . 83 VAL HG1 . 11232 1 988 . 1 1 83 83 VAL HG21 H 1 0.847 0.030 . 1 . . . . 83 VAL HG2 . 11232 1 989 . 1 1 83 83 VAL HG22 H 1 0.847 0.030 . 1 . . . . 83 VAL HG2 . 11232 1 990 . 1 1 83 83 VAL HG23 H 1 0.847 0.030 . 1 . . . . 83 VAL HG2 . 11232 1 991 . 1 1 83 83 VAL C C 13 174.756 0.300 . 1 . . . . 83 VAL C . 11232 1 992 . 1 1 83 83 VAL CA C 13 61.927 0.300 . 1 . . . . 83 VAL CA . 11232 1 993 . 1 1 83 83 VAL CB C 13 33.895 0.300 . 1 . . . . 83 VAL CB . 11232 1 994 . 1 1 83 83 VAL CG1 C 13 20.604 0.300 . 2 . . . . 83 VAL CG1 . 11232 1 995 . 1 1 83 83 VAL CG2 C 13 19.605 0.300 . 2 . . . . 83 VAL CG2 . 11232 1 996 . 1 1 83 83 VAL N N 15 121.789 0.300 . 1 . . . . 83 VAL N . 11232 1 997 . 1 1 84 84 PHE H H 1 9.387 0.030 . 1 . . . . 84 PHE H . 11232 1 998 . 1 1 84 84 PHE HA H 1 5.454 0.030 . 1 . . . . 84 PHE HA . 11232 1 999 . 1 1 84 84 PHE HB2 H 1 3.289 0.030 . 2 . . . . 84 PHE HB2 . 11232 1 1000 . 1 1 84 84 PHE HB3 H 1 3.062 0.030 . 2 . . . . 84 PHE HB3 . 11232 1 1001 . 1 1 84 84 PHE HD1 H 1 7.093 0.030 . 1 . . . . 84 PHE HD1 . 11232 1 1002 . 1 1 84 84 PHE HD2 H 1 7.093 0.030 . 1 . . . . 84 PHE HD2 . 11232 1 1003 . 1 1 84 84 PHE HE1 H 1 6.951 0.030 . 1 . . . . 84 PHE HE1 . 11232 1 1004 . 1 1 84 84 PHE HE2 H 1 6.951 0.030 . 1 . . . . 84 PHE HE2 . 11232 1 1005 . 1 1 84 84 PHE HZ H 1 6.807 0.030 . 1 . . . . 84 PHE HZ . 11232 1 1006 . 1 1 84 84 PHE C C 13 174.035 0.300 . 1 . . . . 84 PHE C . 11232 1 1007 . 1 1 84 84 PHE CA C 13 56.886 0.300 . 1 . . . . 84 PHE CA . 11232 1 1008 . 1 1 84 84 PHE CB C 13 42.550 0.300 . 1 . . . . 84 PHE CB . 11232 1 1009 . 1 1 84 84 PHE CD1 C 13 131.560 0.300 . 1 . . . . 84 PHE CD1 . 11232 1 1010 . 1 1 84 84 PHE CD2 C 13 131.560 0.300 . 1 . . . . 84 PHE CD2 . 11232 1 1011 . 1 1 84 84 PHE CE1 C 13 131.300 0.300 . 1 . . . . 84 PHE CE1 . 11232 1 1012 . 1 1 84 84 PHE CE2 C 13 131.300 0.300 . 1 . . . . 84 PHE CE2 . 11232 1 1013 . 1 1 84 84 PHE CZ C 13 129.005 0.300 . 1 . . . . 84 PHE CZ . 11232 1 1014 . 1 1 84 84 PHE N N 15 125.017 0.300 . 1 . . . . 84 PHE N . 11232 1 1015 . 1 1 85 85 LYS H H 1 9.204 0.030 . 1 . . . . 85 LYS H . 11232 1 1016 . 1 1 85 85 LYS HA H 1 5.009 0.030 . 1 . . . . 85 LYS HA . 11232 1 1017 . 1 1 85 85 LYS HB2 H 1 1.394 0.030 . 2 . . . . 85 LYS HB2 . 11232 1 1018 . 1 1 85 85 LYS HB3 H 1 1.637 0.030 . 2 . . . . 85 LYS HB3 . 11232 1 1019 . 1 1 85 85 LYS HD2 H 1 1.529 0.030 . 1 . . . . 85 LYS HD2 . 11232 1 1020 . 1 1 85 85 LYS HD3 H 1 1.529 0.030 . 1 . . . . 85 LYS HD3 . 11232 1 1021 . 1 1 85 85 LYS HE2 H 1 2.677 0.030 . 2 . . . . 85 LYS HE2 . 11232 1 1022 . 1 1 85 85 LYS HE3 H 1 2.757 0.030 . 2 . . . . 85 LYS HE3 . 11232 1 1023 . 1 1 85 85 LYS HG2 H 1 0.890 0.030 . 2 . . . . 85 LYS HG2 . 11232 1 1024 . 1 1 85 85 LYS HG3 H 1 0.562 0.030 . 2 . . . . 85 LYS HG3 . 11232 1 1025 . 1 1 85 85 LYS C C 13 174.536 0.300 . 1 . . . . 85 LYS C . 11232 1 1026 . 1 1 85 85 LYS CA C 13 54.020 0.300 . 1 . . . . 85 LYS CA . 11232 1 1027 . 1 1 85 85 LYS CB C 13 37.255 0.300 . 1 . . . . 85 LYS CB . 11232 1 1028 . 1 1 85 85 LYS CD C 13 29.510 0.300 . 1 . . . . 85 LYS CD . 11232 1 1029 . 1 1 85 85 LYS CE C 13 41.912 0.300 . 1 . . . . 85 LYS CE . 11232 1 1030 . 1 1 85 85 LYS CG C 13 24.337 0.300 . 1 . . . . 85 LYS CG . 11232 1 1031 . 1 1 85 85 LYS N N 15 121.228 0.300 . 1 . . . . 85 LYS N . 11232 1 1032 . 1 1 86 86 VAL H H 1 8.814 0.030 . 1 . . . . 86 VAL H . 11232 1 1033 . 1 1 86 86 VAL HA H 1 4.769 0.030 . 1 . . . . 86 VAL HA . 11232 1 1034 . 1 1 86 86 VAL HB H 1 -0.007 0.030 . 1 . . . . 86 VAL HB . 11232 1 1035 . 1 1 86 86 VAL HG11 H 1 -0.442 0.030 . 1 . . . . 86 VAL HG1 . 11232 1 1036 . 1 1 86 86 VAL HG12 H 1 -0.442 0.030 . 1 . . . . 86 VAL HG1 . 11232 1 1037 . 1 1 86 86 VAL HG13 H 1 -0.442 0.030 . 1 . . . . 86 VAL HG1 . 11232 1 1038 . 1 1 86 86 VAL HG21 H 1 0.031 0.030 . 1 . . . . 86 VAL HG2 . 11232 1 1039 . 1 1 86 86 VAL HG22 H 1 0.031 0.030 . 1 . . . . 86 VAL HG2 . 11232 1 1040 . 1 1 86 86 VAL HG23 H 1 0.031 0.030 . 1 . . . . 86 VAL HG2 . 11232 1 1041 . 1 1 86 86 VAL C C 13 172.719 0.300 . 1 . . . . 86 VAL C . 11232 1 1042 . 1 1 86 86 VAL CA C 13 57.634 0.300 . 1 . . . . 86 VAL CA . 11232 1 1043 . 1 1 86 86 VAL CB C 13 32.764 0.300 . 1 . . . . 86 VAL CB . 11232 1 1044 . 1 1 86 86 VAL CG1 C 13 19.759 0.300 . 2 . . . . 86 VAL CG1 . 11232 1 1045 . 1 1 86 86 VAL CG2 C 13 18.104 0.300 . 2 . . . . 86 VAL CG2 . 11232 1 1046 . 1 1 86 86 VAL N N 15 126.046 0.300 . 1 . . . . 86 VAL N . 11232 1 1047 . 1 1 87 87 THR H H 1 8.631 0.030 . 1 . . . . 87 THR H . 11232 1 1048 . 1 1 87 87 THR HA H 1 4.485 0.030 . 1 . . . . 87 THR HA . 11232 1 1049 . 1 1 87 87 THR HB H 1 3.798 0.030 . 1 . . . . 87 THR HB . 11232 1 1050 . 1 1 87 87 THR HG21 H 1 1.082 0.030 . 1 . . . . 87 THR HG2 . 11232 1 1051 . 1 1 87 87 THR HG22 H 1 1.082 0.030 . 1 . . . . 87 THR HG2 . 11232 1 1052 . 1 1 87 87 THR HG23 H 1 1.082 0.030 . 1 . . . . 87 THR HG2 . 11232 1 1053 . 1 1 87 87 THR C C 13 173.477 0.300 . 1 . . . . 87 THR C . 11232 1 1054 . 1 1 87 87 THR CA C 13 60.970 0.300 . 1 . . . . 87 THR CA . 11232 1 1055 . 1 1 87 87 THR CB C 13 70.306 0.300 . 1 . . . . 87 THR CB . 11232 1 1056 . 1 1 87 87 THR CG2 C 13 22.432 0.300 . 1 . . . . 87 THR CG2 . 11232 1 1057 . 1 1 87 87 THR N N 15 123.123 0.300 . 1 . . . . 87 THR N . 11232 1 1058 . 1 1 88 88 VAL H H 1 8.555 0.030 . 1 . . . . 88 VAL H . 11232 1 1059 . 1 1 88 88 VAL HA H 1 4.569 0.030 . 1 . . . . 88 VAL HA . 11232 1 1060 . 1 1 88 88 VAL HB H 1 1.089 0.030 . 1 . . . . 88 VAL HB . 11232 1 1061 . 1 1 88 88 VAL HG11 H 1 -0.042 0.030 . 1 . . . . 88 VAL HG1 . 11232 1 1062 . 1 1 88 88 VAL HG12 H 1 -0.042 0.030 . 1 . . . . 88 VAL HG1 . 11232 1 1063 . 1 1 88 88 VAL HG13 H 1 -0.042 0.030 . 1 . . . . 88 VAL HG1 . 11232 1 1064 . 1 1 88 88 VAL HG21 H 1 0.326 0.030 . 1 . . . . 88 VAL HG2 . 11232 1 1065 . 1 1 88 88 VAL HG22 H 1 0.326 0.030 . 1 . . . . 88 VAL HG2 . 11232 1 1066 . 1 1 88 88 VAL HG23 H 1 0.326 0.030 . 1 . . . . 88 VAL HG2 . 11232 1 1067 . 1 1 88 88 VAL C C 13 173.413 0.300 . 1 . . . . 88 VAL C . 11232 1 1068 . 1 1 88 88 VAL CA C 13 59.752 0.300 . 1 . . . . 88 VAL CA . 11232 1 1069 . 1 1 88 88 VAL CB C 13 32.884 0.300 . 1 . . . . 88 VAL CB . 11232 1 1070 . 1 1 88 88 VAL CG1 C 13 21.392 0.300 . 2 . . . . 88 VAL CG1 . 11232 1 1071 . 1 1 88 88 VAL CG2 C 13 22.135 0.300 . 2 . . . . 88 VAL CG2 . 11232 1 1072 . 1 1 88 88 VAL N N 15 127.518 0.300 . 1 . . . . 88 VAL N . 11232 1 1073 . 1 1 89 89 SER H H 1 8.552 0.030 . 1 . . . . 89 SER H . 11232 1 1074 . 1 1 89 89 SER HA H 1 5.057 0.030 . 1 . . . . 89 SER HA . 11232 1 1075 . 1 1 89 89 SER HB2 H 1 4.134 0.030 . 2 . . . . 89 SER HB2 . 11232 1 1076 . 1 1 89 89 SER HB3 H 1 3.885 0.030 . 2 . . . . 89 SER HB3 . 11232 1 1077 . 1 1 89 89 SER C C 13 172.848 0.300 . 1 . . . . 89 SER C . 11232 1 1078 . 1 1 89 89 SER CA C 13 56.740 0.300 . 1 . . . . 89 SER CA . 11232 1 1079 . 1 1 89 89 SER CB C 13 67.254 0.300 . 1 . . . . 89 SER CB . 11232 1 1080 . 1 1 89 89 SER N N 15 116.418 0.300 . 1 . . . . 89 SER N . 11232 1 1081 . 1 1 90 90 SER H H 1 8.702 0.030 . 1 . . . . 90 SER H . 11232 1 1082 . 1 1 90 90 SER HA H 1 4.835 0.030 . 1 . . . . 90 SER HA . 11232 1 1083 . 1 1 90 90 SER HB2 H 1 3.899 0.030 . 2 . . . . 90 SER HB2 . 11232 1 1084 . 1 1 90 90 SER HB3 H 1 4.296 0.030 . 2 . . . . 90 SER HB3 . 11232 1 1085 . 1 1 90 90 SER C C 13 174.591 0.300 . 1 . . . . 90 SER C . 11232 1 1086 . 1 1 90 90 SER CA C 13 56.669 0.300 . 1 . . . . 90 SER CA . 11232 1 1087 . 1 1 90 90 SER CB C 13 65.709 0.300 . 1 . . . . 90 SER CB . 11232 1 1088 . 1 1 90 90 SER N N 15 115.881 0.300 . 1 . . . . 90 SER N . 11232 1 1089 . 1 1 91 91 GLU H H 1 8.879 0.030 . 1 . . . . 91 GLU H . 11232 1 1090 . 1 1 91 91 GLU HA H 1 4.155 0.030 . 1 . . . . 91 GLU HA . 11232 1 1091 . 1 1 91 91 GLU HB2 H 1 2.028 0.030 . 2 . . . . 91 GLU HB2 . 11232 1 1092 . 1 1 91 91 GLU HB3 H 1 2.084 0.030 . 2 . . . . 91 GLU HB3 . 11232 1 1093 . 1 1 91 91 GLU HG2 H 1 2.321 0.030 . 1 . . . . 91 GLU HG2 . 11232 1 1094 . 1 1 91 91 GLU HG3 H 1 2.321 0.030 . 1 . . . . 91 GLU HG3 . 11232 1 1095 . 1 1 91 91 GLU C C 13 176.911 0.300 . 1 . . . . 91 GLU C . 11232 1 1096 . 1 1 91 91 GLU CA C 13 59.404 0.300 . 1 . . . . 91 GLU CA . 11232 1 1097 . 1 1 91 91 GLU CB C 13 29.268 0.300 . 1 . . . . 91 GLU CB . 11232 1 1098 . 1 1 91 91 GLU CG C 13 36.141 0.300 . 1 . . . . 91 GLU CG . 11232 1 1099 . 1 1 91 91 GLU N N 15 119.428 0.300 . 1 . . . . 91 GLU N . 11232 1 1100 . 1 1 92 92 ASN H H 1 8.303 0.030 . 1 . . . . 92 ASN H . 11232 1 1101 . 1 1 92 92 ASN HA H 1 4.950 0.030 . 1 . . . . 92 ASN HA . 11232 1 1102 . 1 1 92 92 ASN HB2 H 1 2.857 0.030 . 2 . . . . 92 ASN HB2 . 11232 1 1103 . 1 1 92 92 ASN HB3 H 1 2.936 0.030 . 2 . . . . 92 ASN HB3 . 11232 1 1104 . 1 1 92 92 ASN HD21 H 1 7.596 0.030 . 2 . . . . 92 ASN HD21 . 11232 1 1105 . 1 1 92 92 ASN HD22 H 1 6.911 0.030 . 2 . . . . 92 ASN HD22 . 11232 1 1106 . 1 1 92 92 ASN C C 13 173.962 0.300 . 1 . . . . 92 ASN C . 11232 1 1107 . 1 1 92 92 ASN CA C 13 52.643 0.300 . 1 . . . . 92 ASN CA . 11232 1 1108 . 1 1 92 92 ASN CB C 13 40.030 0.300 . 1 . . . . 92 ASN CB . 11232 1 1109 . 1 1 92 92 ASN N N 15 114.514 0.300 . 1 . . . . 92 ASN N . 11232 1 1110 . 1 1 92 92 ASN ND2 N 15 112.394 0.300 . 1 . . . . 92 ASN ND2 . 11232 1 1111 . 1 1 93 93 ALA H H 1 7.625 0.030 . 1 . . . . 93 ALA H . 11232 1 1112 . 1 1 93 93 ALA HA H 1 5.300 0.030 . 1 . . . . 93 ALA HA . 11232 1 1113 . 1 1 93 93 ALA HB1 H 1 1.203 0.030 . 1 . . . . 93 ALA HB . 11232 1 1114 . 1 1 93 93 ALA HB2 H 1 1.203 0.030 . 1 . . . . 93 ALA HB . 11232 1 1115 . 1 1 93 93 ALA HB3 H 1 1.203 0.030 . 1 . . . . 93 ALA HB . 11232 1 1116 . 1 1 93 93 ALA C C 13 175.698 0.300 . 1 . . . . 93 ALA C . 11232 1 1117 . 1 1 93 93 ALA CA C 13 52.092 0.300 . 1 . . . . 93 ALA CA . 11232 1 1118 . 1 1 93 93 ALA CB C 13 22.479 0.300 . 1 . . . . 93 ALA CB . 11232 1 1119 . 1 1 93 93 ALA N N 15 122.323 0.300 . 1 . . . . 93 ALA N . 11232 1 1120 . 1 1 94 94 PHE H H 1 8.419 0.030 . 1 . . . . 94 PHE H . 11232 1 1121 . 1 1 94 94 PHE HA H 1 5.179 0.030 . 1 . . . . 94 PHE HA . 11232 1 1122 . 1 1 94 94 PHE HB2 H 1 3.139 0.030 . 2 . . . . 94 PHE HB2 . 11232 1 1123 . 1 1 94 94 PHE HB3 H 1 2.709 0.030 . 2 . . . . 94 PHE HB3 . 11232 1 1124 . 1 1 94 94 PHE HD1 H 1 7.112 0.030 . 1 . . . . 94 PHE HD1 . 11232 1 1125 . 1 1 94 94 PHE HD2 H 1 7.112 0.030 . 1 . . . . 94 PHE HD2 . 11232 1 1126 . 1 1 94 94 PHE HE1 H 1 7.220 0.030 . 1 . . . . 94 PHE HE1 . 11232 1 1127 . 1 1 94 94 PHE HE2 H 1 7.220 0.030 . 1 . . . . 94 PHE HE2 . 11232 1 1128 . 1 1 94 94 PHE HZ H 1 7.210 0.030 . 1 . . . . 94 PHE HZ . 11232 1 1129 . 1 1 94 94 PHE C C 13 174.572 0.300 . 1 . . . . 94 PHE C . 11232 1 1130 . 1 1 94 94 PHE CA C 13 58.121 0.300 . 1 . . . . 94 PHE CA . 11232 1 1131 . 1 1 94 94 PHE CB C 13 43.917 0.300 . 1 . . . . 94 PHE CB . 11232 1 1132 . 1 1 94 94 PHE CD1 C 13 131.301 0.300 . 1 . . . . 94 PHE CD1 . 11232 1 1133 . 1 1 94 94 PHE CD2 C 13 131.301 0.300 . 1 . . . . 94 PHE CD2 . 11232 1 1134 . 1 1 94 94 PHE CE1 C 13 131.238 0.300 . 1 . . . . 94 PHE CE1 . 11232 1 1135 . 1 1 94 94 PHE CE2 C 13 131.238 0.300 . 1 . . . . 94 PHE CE2 . 11232 1 1136 . 1 1 94 94 PHE CZ C 13 129.922 0.300 . 1 . . . . 94 PHE CZ . 11232 1 1137 . 1 1 94 94 PHE N N 15 120.205 0.300 . 1 . . . . 94 PHE N . 11232 1 1138 . 1 1 95 95 GLY H H 1 8.274 0.030 . 1 . . . . 95 GLY H . 11232 1 1139 . 1 1 95 95 GLY HA2 H 1 4.152 0.030 . 2 . . . . 95 GLY HA2 . 11232 1 1140 . 1 1 95 95 GLY HA3 H 1 3.826 0.030 . 2 . . . . 95 GLY HA3 . 11232 1 1141 . 1 1 95 95 GLY C C 13 169.747 0.300 . 1 . . . . 95 GLY C . 11232 1 1142 . 1 1 95 95 GLY CA C 13 45.762 0.300 . 1 . . . . 95 GLY CA . 11232 1 1143 . 1 1 95 95 GLY N N 15 115.164 0.300 . 1 . . . . 95 GLY N . 11232 1 1144 . 1 1 96 96 GLU H H 1 8.435 0.030 . 1 . . . . 96 GLU H . 11232 1 1145 . 1 1 96 96 GLU HA H 1 5.250 0.030 . 1 . . . . 96 GLU HA . 11232 1 1146 . 1 1 96 96 GLU HB2 H 1 1.662 0.030 . 2 . . . . 96 GLU HB2 . 11232 1 1147 . 1 1 96 96 GLU HB3 H 1 1.737 0.030 . 2 . . . . 96 GLU HB3 . 11232 1 1148 . 1 1 96 96 GLU HG2 H 1 2.005 0.030 . 2 . . . . 96 GLU HG2 . 11232 1 1149 . 1 1 96 96 GLU HG3 H 1 2.048 0.030 . 2 . . . . 96 GLU HG3 . 11232 1 1150 . 1 1 96 96 GLU C C 13 175.121 0.300 . 1 . . . . 96 GLU C . 11232 1 1151 . 1 1 96 96 GLU CA C 13 54.066 0.300 . 1 . . . . 96 GLU CA . 11232 1 1152 . 1 1 96 96 GLU CB C 13 34.203 0.300 . 1 . . . . 96 GLU CB . 11232 1 1153 . 1 1 96 96 GLU CG C 13 36.332 0.300 . 1 . . . . 96 GLU CG . 11232 1 1154 . 1 1 96 96 GLU N N 15 116.315 0.300 . 1 . . . . 96 GLU N . 11232 1 1155 . 1 1 97 97 GLY H H 1 8.675 0.030 . 1 . . . . 97 GLY H . 11232 1 1156 . 1 1 97 97 GLY HA2 H 1 3.250 0.030 . 2 . . . . 97 GLY HA2 . 11232 1 1157 . 1 1 97 97 GLY HA3 H 1 4.637 0.030 . 2 . . . . 97 GLY HA3 . 11232 1 1158 . 1 1 97 97 GLY C C 13 170.272 0.300 . 1 . . . . 97 GLY C . 11232 1 1159 . 1 1 97 97 GLY CA C 13 43.905 0.300 . 1 . . . . 97 GLY CA . 11232 1 1160 . 1 1 97 97 GLY N N 15 109.045 0.300 . 1 . . . . 97 GLY N . 11232 1 1161 . 1 1 98 98 PHE H H 1 8.613 0.030 . 1 . . . . 98 PHE H . 11232 1 1162 . 1 1 98 98 PHE HA H 1 5.785 0.030 . 1 . . . . 98 PHE HA . 11232 1 1163 . 1 1 98 98 PHE HB2 H 1 3.169 0.030 . 2 . . . . 98 PHE HB2 . 11232 1 1164 . 1 1 98 98 PHE HB3 H 1 2.863 0.030 . 2 . . . . 98 PHE HB3 . 11232 1 1165 . 1 1 98 98 PHE HD1 H 1 7.230 0.030 . 1 . . . . 98 PHE HD1 . 11232 1 1166 . 1 1 98 98 PHE HD2 H 1 7.230 0.030 . 1 . . . . 98 PHE HD2 . 11232 1 1167 . 1 1 98 98 PHE HE1 H 1 7.285 0.030 . 1 . . . . 98 PHE HE1 . 11232 1 1168 . 1 1 98 98 PHE HE2 H 1 7.285 0.030 . 1 . . . . 98 PHE HE2 . 11232 1 1169 . 1 1 98 98 PHE HZ H 1 7.255 0.030 . 1 . . . . 98 PHE HZ . 11232 1 1170 . 1 1 98 98 PHE C C 13 175.656 0.300 . 1 . . . . 98 PHE C . 11232 1 1171 . 1 1 98 98 PHE CA C 13 56.669 0.300 . 1 . . . . 98 PHE CA . 11232 1 1172 . 1 1 98 98 PHE CB C 13 43.632 0.300 . 1 . . . . 98 PHE CB . 11232 1 1173 . 1 1 98 98 PHE CD1 C 13 131.777 0.300 . 1 . . . . 98 PHE CD1 . 11232 1 1174 . 1 1 98 98 PHE CD2 C 13 131.777 0.300 . 1 . . . . 98 PHE CD2 . 11232 1 1175 . 1 1 98 98 PHE CE1 C 13 130.771 0.300 . 1 . . . . 98 PHE CE1 . 11232 1 1176 . 1 1 98 98 PHE CE2 C 13 130.771 0.300 . 1 . . . . 98 PHE CE2 . 11232 1 1177 . 1 1 98 98 PHE CZ C 13 129.309 0.300 . 1 . . . . 98 PHE CZ . 11232 1 1178 . 1 1 98 98 PHE N N 15 116.882 0.300 . 1 . . . . 98 PHE N . 11232 1 1179 . 1 1 99 99 VAL H H 1 9.165 0.030 . 1 . . . . 99 VAL H . 11232 1 1180 . 1 1 99 99 VAL HA H 1 4.667 0.030 . 1 . . . . 99 VAL HA . 11232 1 1181 . 1 1 99 99 VAL HB H 1 2.099 0.030 . 1 . . . . 99 VAL HB . 11232 1 1182 . 1 1 99 99 VAL HG11 H 1 0.994 0.030 . 1 . . . . 99 VAL HG1 . 11232 1 1183 . 1 1 99 99 VAL HG12 H 1 0.994 0.030 . 1 . . . . 99 VAL HG1 . 11232 1 1184 . 1 1 99 99 VAL HG13 H 1 0.994 0.030 . 1 . . . . 99 VAL HG1 . 11232 1 1185 . 1 1 99 99 VAL HG21 H 1 1.067 0.030 . 1 . . . . 99 VAL HG2 . 11232 1 1186 . 1 1 99 99 VAL HG22 H 1 1.067 0.030 . 1 . . . . 99 VAL HG2 . 11232 1 1187 . 1 1 99 99 VAL HG23 H 1 1.067 0.030 . 1 . . . . 99 VAL HG2 . 11232 1 1188 . 1 1 99 99 VAL C C 13 171.437 0.300 . 1 . . . . 99 VAL C . 11232 1 1189 . 1 1 99 99 VAL CA C 13 61.390 0.300 . 1 . . . . 99 VAL CA . 11232 1 1190 . 1 1 99 99 VAL CB C 13 35.092 0.300 . 1 . . . . 99 VAL CB . 11232 1 1191 . 1 1 99 99 VAL CG1 C 13 21.869 0.300 . 2 . . . . 99 VAL CG1 . 11232 1 1192 . 1 1 99 99 VAL CG2 C 13 20.471 0.300 . 2 . . . . 99 VAL CG2 . 11232 1 1193 . 1 1 99 99 VAL N N 15 120.857 0.300 . 1 . . . . 99 VAL N . 11232 1 1194 . 1 1 100 100 ASN H H 1 8.293 0.030 . 1 . . . . 100 ASN H . 11232 1 1195 . 1 1 100 100 ASN HA H 1 5.931 0.030 . 1 . . . . 100 ASN HA . 11232 1 1196 . 1 1 100 100 ASN HB2 H 1 2.829 0.030 . 2 . . . . 100 ASN HB2 . 11232 1 1197 . 1 1 100 100 ASN HB3 H 1 2.692 0.030 . 2 . . . . 100 ASN HB3 . 11232 1 1198 . 1 1 100 100 ASN HD21 H 1 6.556 0.030 . 2 . . . . 100 ASN HD21 . 11232 1 1199 . 1 1 100 100 ASN HD22 H 1 7.253 0.030 . 2 . . . . 100 ASN HD22 . 11232 1 1200 . 1 1 100 100 ASN C C 13 174.512 0.300 . 1 . . . . 100 ASN C . 11232 1 1201 . 1 1 100 100 ASN CA C 13 51.316 0.300 . 1 . . . . 100 ASN CA . 11232 1 1202 . 1 1 100 100 ASN CB C 13 40.513 0.300 . 1 . . . . 100 ASN CB . 11232 1 1203 . 1 1 100 100 ASN N N 15 124.696 0.300 . 1 . . . . 100 ASN N . 11232 1 1204 . 1 1 100 100 ASN ND2 N 15 109.922 0.300 . 1 . . . . 100 ASN ND2 . 11232 1 1205 . 1 1 101 101 VAL H H 1 9.544 0.030 . 1 . . . . 101 VAL H . 11232 1 1206 . 1 1 101 101 VAL HA H 1 4.826 0.030 . 1 . . . . 101 VAL HA . 11232 1 1207 . 1 1 101 101 VAL HB H 1 2.116 0.030 . 1 . . . . 101 VAL HB . 11232 1 1208 . 1 1 101 101 VAL HG11 H 1 0.995 0.030 . 1 . . . . 101 VAL HG1 . 11232 1 1209 . 1 1 101 101 VAL HG12 H 1 0.995 0.030 . 1 . . . . 101 VAL HG1 . 11232 1 1210 . 1 1 101 101 VAL HG13 H 1 0.995 0.030 . 1 . . . . 101 VAL HG1 . 11232 1 1211 . 1 1 101 101 VAL HG21 H 1 0.679 0.030 . 1 . . . . 101 VAL HG2 . 11232 1 1212 . 1 1 101 101 VAL HG22 H 1 0.679 0.030 . 1 . . . . 101 VAL HG2 . 11232 1 1213 . 1 1 101 101 VAL HG23 H 1 0.679 0.030 . 1 . . . . 101 VAL HG2 . 11232 1 1214 . 1 1 101 101 VAL C C 13 174.558 0.300 . 1 . . . . 101 VAL C . 11232 1 1215 . 1 1 101 101 VAL CA C 13 61.119 0.300 . 1 . . . . 101 VAL CA . 11232 1 1216 . 1 1 101 101 VAL CB C 13 35.807 0.300 . 1 . . . . 101 VAL CB . 11232 1 1217 . 1 1 101 101 VAL CG1 C 13 22.013 0.300 . 2 . . . . 101 VAL CG1 . 11232 1 1218 . 1 1 101 101 VAL CG2 C 13 20.779 0.300 . 2 . . . . 101 VAL CG2 . 11232 1 1219 . 1 1 101 101 VAL N N 15 121.931 0.300 . 1 . . . . 101 VAL N . 11232 1 1220 . 1 1 102 102 THR H H 1 8.947 0.030 . 1 . . . . 102 THR H . 11232 1 1221 . 1 1 102 102 THR HA H 1 5.050 0.030 . 1 . . . . 102 THR HA . 11232 1 1222 . 1 1 102 102 THR HB H 1 4.091 0.030 . 1 . . . . 102 THR HB . 11232 1 1223 . 1 1 102 102 THR HG21 H 1 1.132 0.030 . 1 . . . . 102 THR HG2 . 11232 1 1224 . 1 1 102 102 THR HG22 H 1 1.132 0.030 . 1 . . . . 102 THR HG2 . 11232 1 1225 . 1 1 102 102 THR HG23 H 1 1.132 0.030 . 1 . . . . 102 THR HG2 . 11232 1 1226 . 1 1 102 102 THR C C 13 172.627 0.300 . 1 . . . . 102 THR C . 11232 1 1227 . 1 1 102 102 THR CA C 13 62.238 0.300 . 1 . . . . 102 THR CA . 11232 1 1228 . 1 1 102 102 THR CB C 13 70.152 0.300 . 1 . . . . 102 THR CB . 11232 1 1229 . 1 1 102 102 THR CG2 C 13 21.142 0.300 . 1 . . . . 102 THR CG2 . 11232 1 1230 . 1 1 102 102 THR N N 15 125.079 0.300 . 1 . . . . 102 THR N . 11232 1 1231 . 1 1 103 103 VAL H H 1 9.474 0.030 . 1 . . . . 103 VAL H . 11232 1 1232 . 1 1 103 103 VAL HA H 1 4.921 0.030 . 1 . . . . 103 VAL HA . 11232 1 1233 . 1 1 103 103 VAL HB H 1 2.460 0.030 . 1 . . . . 103 VAL HB . 11232 1 1234 . 1 1 103 103 VAL HG11 H 1 0.746 0.030 . 1 . . . . 103 VAL HG1 . 11232 1 1235 . 1 1 103 103 VAL HG12 H 1 0.746 0.030 . 1 . . . . 103 VAL HG1 . 11232 1 1236 . 1 1 103 103 VAL HG13 H 1 0.746 0.030 . 1 . . . . 103 VAL HG1 . 11232 1 1237 . 1 1 103 103 VAL HG21 H 1 0.645 0.030 . 1 . . . . 103 VAL HG2 . 11232 1 1238 . 1 1 103 103 VAL HG22 H 1 0.645 0.030 . 1 . . . . 103 VAL HG2 . 11232 1 1239 . 1 1 103 103 VAL HG23 H 1 0.645 0.030 . 1 . . . . 103 VAL HG2 . 11232 1 1240 . 1 1 103 103 VAL C C 13 177.035 0.300 . 1 . . . . 103 VAL C . 11232 1 1241 . 1 1 103 103 VAL CA C 13 60.583 0.300 . 1 . . . . 103 VAL CA . 11232 1 1242 . 1 1 103 103 VAL CB C 13 31.806 0.300 . 1 . . . . 103 VAL CB . 11232 1 1243 . 1 1 103 103 VAL CG1 C 13 21.956 0.300 . 2 . . . . 103 VAL CG1 . 11232 1 1244 . 1 1 103 103 VAL CG2 C 13 20.407 0.300 . 2 . . . . 103 VAL CG2 . 11232 1 1245 . 1 1 103 103 VAL N N 15 127.966 0.300 . 1 . . . . 103 VAL N . 11232 1 1246 . 1 1 104 104 LYS H H 1 9.676 0.030 . 1 . . . . 104 LYS H . 11232 1 1247 . 1 1 104 104 LYS HA H 1 4.767 0.030 . 1 . . . . 104 LYS HA . 11232 1 1248 . 1 1 104 104 LYS HB2 H 1 1.953 0.030 . 1 . . . . 104 LYS HB2 . 11232 1 1249 . 1 1 104 104 LYS HB3 H 1 1.953 0.030 . 1 . . . . 104 LYS HB3 . 11232 1 1250 . 1 1 104 104 LYS HD2 H 1 1.669 0.030 . 1 . . . . 104 LYS HD2 . 11232 1 1251 . 1 1 104 104 LYS HD3 H 1 1.669 0.030 . 1 . . . . 104 LYS HD3 . 11232 1 1252 . 1 1 104 104 LYS HE2 H 1 2.956 0.030 . 1 . . . . 104 LYS HE2 . 11232 1 1253 . 1 1 104 104 LYS HE3 H 1 2.956 0.030 . 1 . . . . 104 LYS HE3 . 11232 1 1254 . 1 1 104 104 LYS HG2 H 1 1.490 0.030 . 2 . . . . 104 LYS HG2 . 11232 1 1255 . 1 1 104 104 LYS HG3 H 1 1.386 0.030 . 2 . . . . 104 LYS HG3 . 11232 1 1256 . 1 1 104 104 LYS C C 13 173.155 0.300 . 1 . . . . 104 LYS C . 11232 1 1257 . 1 1 104 104 LYS CA C 13 54.086 0.300 . 1 . . . . 104 LYS CA . 11232 1 1258 . 1 1 104 104 LYS CB C 13 32.820 0.300 . 1 . . . . 104 LYS CB . 11232 1 1259 . 1 1 104 104 LYS CD C 13 29.071 0.300 . 1 . . . . 104 LYS CD . 11232 1 1260 . 1 1 104 104 LYS CE C 13 41.974 0.300 . 1 . . . . 104 LYS CE . 11232 1 1261 . 1 1 104 104 LYS CG C 13 25.537 0.300 . 1 . . . . 104 LYS CG . 11232 1 1262 . 1 1 104 104 LYS N N 15 129.838 0.300 . 1 . . . . 104 LYS N . 11232 1 1263 . 1 1 105 105 PRO HA H 1 4.389 0.030 . 1 . . . . 105 PRO HA . 11232 1 1264 . 1 1 105 105 PRO HB2 H 1 2.022 0.030 . 2 . . . . 105 PRO HB2 . 11232 1 1265 . 1 1 105 105 PRO HB3 H 1 2.338 0.030 . 2 . . . . 105 PRO HB3 . 11232 1 1266 . 1 1 105 105 PRO HD2 H 1 3.723 0.030 . 2 . . . . 105 PRO HD2 . 11232 1 1267 . 1 1 105 105 PRO HD3 H 1 3.741 0.030 . 2 . . . . 105 PRO HD3 . 11232 1 1268 . 1 1 105 105 PRO HG2 H 1 2.015 0.030 . 2 . . . . 105 PRO HG2 . 11232 1 1269 . 1 1 105 105 PRO HG3 H 1 2.114 0.030 . 2 . . . . 105 PRO HG3 . 11232 1 1270 . 1 1 105 105 PRO C C 13 174.817 0.300 . 1 . . . . 105 PRO C . 11232 1 1271 . 1 1 105 105 PRO CA C 13 62.093 0.300 . 1 . . . . 105 PRO CA . 11232 1 1272 . 1 1 105 105 PRO CB C 13 32.400 0.300 . 1 . . . . 105 PRO CB . 11232 1 1273 . 1 1 105 105 PRO CD C 13 50.301 0.300 . 1 . . . . 105 PRO CD . 11232 1 1274 . 1 1 105 105 PRO CG C 13 27.058 0.300 . 1 . . . . 105 PRO CG . 11232 1 1275 . 1 1 106 106 ALA H H 1 8.219 0.030 . 1 . . . . 106 ALA H . 11232 1 1276 . 1 1 106 106 ALA HA H 1 4.267 0.030 . 1 . . . . 106 ALA HA . 11232 1 1277 . 1 1 106 106 ALA HB1 H 1 1.244 0.030 . 1 . . . . 106 ALA HB . 11232 1 1278 . 1 1 106 106 ALA HB2 H 1 1.244 0.030 . 1 . . . . 106 ALA HB . 11232 1 1279 . 1 1 106 106 ALA HB3 H 1 1.244 0.030 . 1 . . . . 106 ALA HB . 11232 1 1280 . 1 1 106 106 ALA C C 13 178.721 0.300 . 1 . . . . 106 ALA C . 11232 1 1281 . 1 1 106 106 ALA CA C 13 52.204 0.300 . 1 . . . . 106 ALA CA . 11232 1 1282 . 1 1 106 106 ALA CB C 13 18.921 0.300 . 1 . . . . 106 ALA CB . 11232 1 1283 . 1 1 106 106 ALA N N 15 120.786 0.300 . 1 . . . . 106 ALA N . 11232 1 1284 . 1 1 107 107 ARG H H 1 8.483 0.030 . 1 . . . . 107 ARG H . 11232 1 1285 . 1 1 107 107 ARG HA H 1 4.301 0.030 . 1 . . . . 107 ARG HA . 11232 1 1286 . 1 1 107 107 ARG HB2 H 1 1.883 0.030 . 2 . . . . 107 ARG HB2 . 11232 1 1287 . 1 1 107 107 ARG HB3 H 1 1.774 0.030 . 2 . . . . 107 ARG HB3 . 11232 1 1288 . 1 1 107 107 ARG HD2 H 1 3.232 0.030 . 1 . . . . 107 ARG HD2 . 11232 1 1289 . 1 1 107 107 ARG HD3 H 1 3.232 0.030 . 1 . . . . 107 ARG HD3 . 11232 1 1290 . 1 1 107 107 ARG HG2 H 1 1.673 0.030 . 2 . . . . 107 ARG HG2 . 11232 1 1291 . 1 1 107 107 ARG HG3 H 1 1.710 0.030 . 2 . . . . 107 ARG HG3 . 11232 1 1292 . 1 1 107 107 ARG C C 13 176.419 0.300 . 1 . . . . 107 ARG C . 11232 1 1293 . 1 1 107 107 ARG CA C 13 56.143 0.300 . 1 . . . . 107 ARG CA . 11232 1 1294 . 1 1 107 107 ARG CB C 13 30.794 0.300 . 1 . . . . 107 ARG CB . 11232 1 1295 . 1 1 107 107 ARG CD C 13 43.339 0.300 . 1 . . . . 107 ARG CD . 11232 1 1296 . 1 1 107 107 ARG CG C 13 27.159 0.300 . 1 . . . . 107 ARG CG . 11232 1 1297 . 1 1 107 107 ARG N N 15 120.332 0.300 . 1 . . . . 107 ARG N . 11232 1 1298 . 1 1 108 108 SER HA H 1 4.520 0.030 . 1 . . . . 108 SER HA . 11232 1 1299 . 1 1 108 108 SER HB2 H 1 3.863 0.030 . 1 . . . . 108 SER HB2 . 11232 1 1300 . 1 1 108 108 SER HB3 H 1 3.863 0.030 . 1 . . . . 108 SER HB3 . 11232 1 1301 . 1 1 108 108 SER C C 13 174.449 0.300 . 1 . . . . 108 SER C . 11232 1 1302 . 1 1 108 108 SER CA C 13 58.048 0.300 . 1 . . . . 108 SER CA . 11232 1 1303 . 1 1 108 108 SER CB C 13 64.165 0.300 . 1 . . . . 108 SER CB . 11232 1 1304 . 1 1 109 109 GLY H H 1 8.273 0.030 . 1 . . . . 109 GLY H . 11232 1 1305 . 1 1 109 109 GLY HA2 H 1 4.138 0.030 . 1 . . . . 109 GLY HA2 . 11232 1 1306 . 1 1 109 109 GLY HA3 H 1 4.138 0.030 . 1 . . . . 109 GLY HA3 . 11232 1 1307 . 1 1 109 109 GLY C C 13 171.827 0.300 . 1 . . . . 109 GLY C . 11232 1 1308 . 1 1 109 109 GLY CA C 13 44.676 0.300 . 1 . . . . 109 GLY CA . 11232 1 1309 . 1 1 109 109 GLY N N 15 110.726 0.300 . 1 . . . . 109 GLY N . 11232 1 1310 . 1 1 110 110 PRO HA H 1 4.495 0.030 . 1 . . . . 110 PRO HA . 11232 1 1311 . 1 1 110 110 PRO HB2 H 1 2.311 0.030 . 2 . . . . 110 PRO HB2 . 11232 1 1312 . 1 1 110 110 PRO HB3 H 1 1.994 0.030 . 2 . . . . 110 PRO HB3 . 11232 1 1313 . 1 1 110 110 PRO HD2 H 1 3.650 0.030 . 1 . . . . 110 PRO HD2 . 11232 1 1314 . 1 1 110 110 PRO HD3 H 1 3.650 0.030 . 1 . . . . 110 PRO HD3 . 11232 1 1315 . 1 1 110 110 PRO HG2 H 1 1.975 0.030 . 1 . . . . 110 PRO HG2 . 11232 1 1316 . 1 1 110 110 PRO HG3 H 1 1.975 0.030 . 1 . . . . 110 PRO HG3 . 11232 1 1317 . 1 1 110 110 PRO CA C 13 63.304 0.300 . 1 . . . . 110 PRO CA . 11232 1 1318 . 1 1 110 110 PRO CB C 13 32.201 0.300 . 1 . . . . 110 PRO CB . 11232 1 1319 . 1 1 110 110 PRO CD C 13 49.703 0.300 . 1 . . . . 110 PRO CD . 11232 1 1320 . 1 1 110 110 PRO CG C 13 27.235 0.300 . 1 . . . . 110 PRO CG . 11232 1 1321 . 1 1 112 112 SER HA H 1 4.483 0.030 . 1 . . . . 112 SER HA . 11232 1 1322 . 1 1 112 112 SER HB2 H 1 3.902 0.030 . 1 . . . . 112 SER HB2 . 11232 1 1323 . 1 1 112 112 SER HB3 H 1 3.902 0.030 . 1 . . . . 112 SER HB3 . 11232 1 1324 . 1 1 112 112 SER C C 13 173.904 0.300 . 1 . . . . 112 SER C . 11232 1 1325 . 1 1 112 112 SER CA C 13 58.359 0.300 . 1 . . . . 112 SER CA . 11232 1 1326 . 1 1 112 112 SER CB C 13 64.286 0.300 . 1 . . . . 112 SER CB . 11232 1 1327 . 1 1 113 113 GLY H H 1 8.043 0.030 . 1 . . . . 113 GLY H . 11232 1 1328 . 1 1 113 113 GLY HA2 H 1 3.805 0.030 . 2 . . . . 113 GLY HA2 . 11232 1 1329 . 1 1 113 113 GLY HA3 H 1 3.762 0.030 . 2 . . . . 113 GLY HA3 . 11232 1 1330 . 1 1 113 113 GLY C C 13 179.012 0.300 . 1 . . . . 113 GLY C . 11232 1 1331 . 1 1 113 113 GLY CA C 13 46.220 0.300 . 1 . . . . 113 GLY CA . 11232 1 1332 . 1 1 113 113 GLY N N 15 116.850 0.300 . 1 . . . . 113 GLY N . 11232 1 stop_ save_