data_11181 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11181 _Entry.Title ; Solution structure of the fourth fn3 domain of KIAA1496 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-21 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-20 _Entry.Original_release_date 2011-07-20 _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 K. Inoue . . . 11181 2 T. Nagashima . . . 11181 3 N. Tochio . . . 11181 4 T. Kigawa . . . 11181 5 F. Hayashi . . . 11181 6 S. Yokoyama . . . 11181 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)' . 11181 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11181 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 473 11181 '15N chemical shifts' 112 11181 '1H chemical shifts' 767 11181 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 . . 2011-07-20 2010-07-21 original author . 11181 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WJ3 'BMRB Entry Tracking System' 11181 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11181 _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 fourth fn3 domain of KIAA1496 protein' _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 K. Inoue . . . 11181 1 2 T. Nagashima . . . 11181 1 3 N. Tochio . . . 11181 1 4 T. Kigawa . . . 11181 1 5 F. Hayashi . . . 11181 1 6 S. Yokoyama . . . 11181 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11181 _Assembly.ID 1 _Assembly.Name 'KIAA1496 protein' _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 'fn3 domain' 1 $entity_1 A . yes native no no . . . 11181 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 1wj3 . . . . . . 11181 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11181 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fn3 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 ; GSSGSSGTVNVTTKKTPPSQ PPGNVVWNATDTKVLLNWEQ VKAMENESEVTGYKVFYRTS SQNNVQVLNTNKTSAELVLP IKEDYIIEVKATTDGGDGTS SEQIRIPRITSSGPSSG ; _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 117 _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 1WJ3 . "Solution Structure Of The Fourth Fn3 Domain Of Kiaa1496 Protein" . . . . . 100.00 117 100.00 100.00 6.09e-76 . . . . 11181 1 2 no GB EHH51179 . "hypothetical protein EGM_10513 [Macaca fascicularis]" . . . . . 90.60 1028 97.17 98.11 1.05e-59 . . . . 11181 1 3 no REF XP_005196486 . "PREDICTED: contactin-3 isoform X4 [Bos taurus]" . . . . . 57.26 100 98.51 100.00 4.57e-38 . . . . 11181 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fn3 domain' . 11181 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 . 11181 1 2 . SER . 11181 1 3 . SER . 11181 1 4 . GLY . 11181 1 5 . SER . 11181 1 6 . SER . 11181 1 7 . GLY . 11181 1 8 . THR . 11181 1 9 . VAL . 11181 1 10 . ASN . 11181 1 11 . VAL . 11181 1 12 . THR . 11181 1 13 . THR . 11181 1 14 . LYS . 11181 1 15 . LYS . 11181 1 16 . THR . 11181 1 17 . PRO . 11181 1 18 . PRO . 11181 1 19 . SER . 11181 1 20 . GLN . 11181 1 21 . PRO . 11181 1 22 . PRO . 11181 1 23 . GLY . 11181 1 24 . ASN . 11181 1 25 . VAL . 11181 1 26 . VAL . 11181 1 27 . TRP . 11181 1 28 . ASN . 11181 1 29 . ALA . 11181 1 30 . THR . 11181 1 31 . ASP . 11181 1 32 . THR . 11181 1 33 . LYS . 11181 1 34 . VAL . 11181 1 35 . LEU . 11181 1 36 . LEU . 11181 1 37 . ASN . 11181 1 38 . TRP . 11181 1 39 . GLU . 11181 1 40 . GLN . 11181 1 41 . VAL . 11181 1 42 . LYS . 11181 1 43 . ALA . 11181 1 44 . MET . 11181 1 45 . GLU . 11181 1 46 . ASN . 11181 1 47 . GLU . 11181 1 48 . SER . 11181 1 49 . GLU . 11181 1 50 . VAL . 11181 1 51 . THR . 11181 1 52 . GLY . 11181 1 53 . TYR . 11181 1 54 . LYS . 11181 1 55 . VAL . 11181 1 56 . PHE . 11181 1 57 . TYR . 11181 1 58 . ARG . 11181 1 59 . THR . 11181 1 60 . SER . 11181 1 61 . SER . 11181 1 62 . GLN . 11181 1 63 . ASN . 11181 1 64 . ASN . 11181 1 65 . VAL . 11181 1 66 . GLN . 11181 1 67 . VAL . 11181 1 68 . LEU . 11181 1 69 . ASN . 11181 1 70 . THR . 11181 1 71 . ASN . 11181 1 72 . LYS . 11181 1 73 . THR . 11181 1 74 . SER . 11181 1 75 . ALA . 11181 1 76 . GLU . 11181 1 77 . LEU . 11181 1 78 . VAL . 11181 1 79 . LEU . 11181 1 80 . PRO . 11181 1 81 . ILE . 11181 1 82 . LYS . 11181 1 83 . GLU . 11181 1 84 . ASP . 11181 1 85 . TYR . 11181 1 86 . ILE . 11181 1 87 . ILE . 11181 1 88 . GLU . 11181 1 89 . VAL . 11181 1 90 . LYS . 11181 1 91 . ALA . 11181 1 92 . THR . 11181 1 93 . THR . 11181 1 94 . ASP . 11181 1 95 . GLY . 11181 1 96 . GLY . 11181 1 97 . ASP . 11181 1 98 . GLY . 11181 1 99 . THR . 11181 1 100 . SER . 11181 1 101 . SER . 11181 1 102 . GLU . 11181 1 103 . GLN . 11181 1 104 . ILE . 11181 1 105 . ARG . 11181 1 106 . ILE . 11181 1 107 . PRO . 11181 1 108 . ARG . 11181 1 109 . ILE . 11181 1 110 . THR . 11181 1 111 . SER . 11181 1 112 . SER . 11181 1 113 . GLY . 11181 1 114 . PRO . 11181 1 115 . SER . 11181 1 116 . SER . 11181 1 117 . GLY . 11181 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 11181 1 . SER 2 2 11181 1 . SER 3 3 11181 1 . GLY 4 4 11181 1 . SER 5 5 11181 1 . SER 6 6 11181 1 . GLY 7 7 11181 1 . THR 8 8 11181 1 . VAL 9 9 11181 1 . ASN 10 10 11181 1 . VAL 11 11 11181 1 . THR 12 12 11181 1 . THR 13 13 11181 1 . LYS 14 14 11181 1 . LYS 15 15 11181 1 . THR 16 16 11181 1 . PRO 17 17 11181 1 . PRO 18 18 11181 1 . SER 19 19 11181 1 . GLN 20 20 11181 1 . PRO 21 21 11181 1 . PRO 22 22 11181 1 . GLY 23 23 11181 1 . ASN 24 24 11181 1 . VAL 25 25 11181 1 . VAL 26 26 11181 1 . TRP 27 27 11181 1 . ASN 28 28 11181 1 . ALA 29 29 11181 1 . THR 30 30 11181 1 . ASP 31 31 11181 1 . THR 32 32 11181 1 . LYS 33 33 11181 1 . VAL 34 34 11181 1 . LEU 35 35 11181 1 . LEU 36 36 11181 1 . ASN 37 37 11181 1 . TRP 38 38 11181 1 . GLU 39 39 11181 1 . GLN 40 40 11181 1 . VAL 41 41 11181 1 . LYS 42 42 11181 1 . ALA 43 43 11181 1 . MET 44 44 11181 1 . GLU 45 45 11181 1 . ASN 46 46 11181 1 . GLU 47 47 11181 1 . SER 48 48 11181 1 . GLU 49 49 11181 1 . VAL 50 50 11181 1 . THR 51 51 11181 1 . GLY 52 52 11181 1 . TYR 53 53 11181 1 . LYS 54 54 11181 1 . VAL 55 55 11181 1 . PHE 56 56 11181 1 . TYR 57 57 11181 1 . ARG 58 58 11181 1 . THR 59 59 11181 1 . SER 60 60 11181 1 . SER 61 61 11181 1 . GLN 62 62 11181 1 . ASN 63 63 11181 1 . ASN 64 64 11181 1 . VAL 65 65 11181 1 . GLN 66 66 11181 1 . VAL 67 67 11181 1 . LEU 68 68 11181 1 . ASN 69 69 11181 1 . THR 70 70 11181 1 . ASN 71 71 11181 1 . LYS 72 72 11181 1 . THR 73 73 11181 1 . SER 74 74 11181 1 . ALA 75 75 11181 1 . GLU 76 76 11181 1 . LEU 77 77 11181 1 . VAL 78 78 11181 1 . LEU 79 79 11181 1 . PRO 80 80 11181 1 . ILE 81 81 11181 1 . LYS 82 82 11181 1 . GLU 83 83 11181 1 . ASP 84 84 11181 1 . TYR 85 85 11181 1 . ILE 86 86 11181 1 . ILE 87 87 11181 1 . GLU 88 88 11181 1 . VAL 89 89 11181 1 . LYS 90 90 11181 1 . ALA 91 91 11181 1 . THR 92 92 11181 1 . THR 93 93 11181 1 . ASP 94 94 11181 1 . GLY 95 95 11181 1 . GLY 96 96 11181 1 . ASP 97 97 11181 1 . GLY 98 98 11181 1 . THR 99 99 11181 1 . SER 100 100 11181 1 . SER 101 101 11181 1 . GLU 102 102 11181 1 . GLN 103 103 11181 1 . ILE 104 104 11181 1 . ARG 105 105 11181 1 . ILE 106 106 11181 1 . PRO 107 107 11181 1 . ARG 108 108 11181 1 . ILE 109 109 11181 1 . THR 110 110 11181 1 . SER 111 111 11181 1 . SER 112 112 11181 1 . GLY 113 113 11181 1 . PRO 114 114 11181 1 . SER 115 115 11181 1 . SER 116 116 11181 1 . GLY 117 117 11181 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 11181 _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 . . . . . . . . . . . . . . . . . . . . . 11181 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 11181 _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 . . P030728-76 . . . . . . 11181 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11181 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.98mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 0.98 . . mM . . . . 11181 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11181 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11181 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11181 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11181 1 6 H2O . . . . . . solvent 90 . . % . . . . 11181 1 7 D2O . . . . . . solvent 10 . . % . . . . 11181 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 11181 _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 11181 1 pH 7.0 0.05 pH 11181 1 pressure 1 0.001 atm 11181 1 temperature 298 0.1 K 11181 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11181 _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 . . 11181 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11181 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11181 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11181 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11181 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11181 _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.' . . 11181 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11181 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11181 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8992 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11181 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11181 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11181 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11181 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11181 5 'structure solution' 11181 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 11181 _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 11181 _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 . . . 11181 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 11181 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11181 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11181 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 11181 _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 . . . . . . . . . 11181 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11181 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11181 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 11181 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11181 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11181 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 . . 11181 1 2 $NMRPipe . . 11181 1 3 $NMRView . . 11181 1 4 $Kujira . . 11181 1 5 $CYANA . . 11181 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 2 2 SER C C 13 174.089 0.300 . 1 . . . . 2 SER C . 11181 1 2 . 1 1 7 7 GLY HA2 H 1 3.922 0.030 . 1 . . . . 7 GLY HA2 . 11181 1 3 . 1 1 7 7 GLY HA3 H 1 3.922 0.030 . 1 . . . . 7 GLY HA3 . 11181 1 4 . 1 1 7 7 GLY C C 13 171.913 0.300 . 1 . . . . 7 GLY C . 11181 1 5 . 1 1 7 7 GLY CA C 13 42.997 0.300 . 1 . . . . 7 GLY CA . 11181 1 6 . 1 1 8 8 THR H H 1 7.991 0.030 . 1 . . . . 8 THR H . 11181 1 7 . 1 1 8 8 THR HA H 1 4.273 0.030 . 1 . . . . 8 THR HA . 11181 1 8 . 1 1 8 8 THR HB H 1 4.076 0.030 . 1 . . . . 8 THR HB . 11181 1 9 . 1 1 8 8 THR HG21 H 1 1.087 0.030 . 1 . . . . 8 THR HG2 . 11181 1 10 . 1 1 8 8 THR HG22 H 1 1.087 0.030 . 1 . . . . 8 THR HG2 . 11181 1 11 . 1 1 8 8 THR HG23 H 1 1.087 0.030 . 1 . . . . 8 THR HG2 . 11181 1 12 . 1 1 8 8 THR C C 13 172.157 0.300 . 1 . . . . 8 THR C . 11181 1 13 . 1 1 8 8 THR CA C 13 59.535 0.300 . 1 . . . . 8 THR CA . 11181 1 14 . 1 1 8 8 THR CB C 13 67.487 0.300 . 1 . . . . 8 THR CB . 11181 1 15 . 1 1 8 8 THR CG2 C 13 19.214 0.300 . 1 . . . . 8 THR CG2 . 11181 1 16 . 1 1 8 8 THR N N 15 113.851 0.300 . 1 . . . . 8 THR N . 11181 1 17 . 1 1 9 9 VAL H H 1 8.090 0.030 . 1 . . . . 9 VAL H . 11181 1 18 . 1 1 9 9 VAL HA H 1 4.679 0.030 . 1 . . . . 9 VAL HA . 11181 1 19 . 1 1 9 9 VAL HB H 1 1.953 0.030 . 1 . . . . 9 VAL HB . 11181 1 20 . 1 1 9 9 VAL HG11 H 1 0.812 0.030 . 1 . . . . 9 VAL HG1 . 11181 1 21 . 1 1 9 9 VAL HG12 H 1 0.812 0.030 . 1 . . . . 9 VAL HG1 . 11181 1 22 . 1 1 9 9 VAL HG13 H 1 0.812 0.030 . 1 . . . . 9 VAL HG1 . 11181 1 23 . 1 1 9 9 VAL HG21 H 1 0.812 0.030 . 1 . . . . 9 VAL HG2 . 11181 1 24 . 1 1 9 9 VAL HG22 H 1 0.812 0.030 . 1 . . . . 9 VAL HG2 . 11181 1 25 . 1 1 9 9 VAL HG23 H 1 0.812 0.030 . 1 . . . . 9 VAL HG2 . 11181 1 26 . 1 1 9 9 VAL C C 13 173.286 0.300 . 1 . . . . 9 VAL C . 11181 1 27 . 1 1 9 9 VAL CA C 13 59.747 0.300 . 1 . . . . 9 VAL CA . 11181 1 28 . 1 1 9 9 VAL CB C 13 30.526 0.300 . 1 . . . . 9 VAL CB . 11181 1 29 . 1 1 9 9 VAL CG1 C 13 18.870 0.300 . 1 . . . . 9 VAL CG1 . 11181 1 30 . 1 1 9 9 VAL CG2 C 13 18.870 0.300 . 1 . . . . 9 VAL CG2 . 11181 1 31 . 1 1 9 9 VAL N N 15 122.335 0.300 . 1 . . . . 9 VAL N . 11181 1 32 . 1 1 10 10 ASN H H 1 8.494 0.030 . 1 . . . . 10 ASN H . 11181 1 33 . 1 1 10 10 ASN HA H 1 4.661 0.030 . 1 . . . . 10 ASN HA . 11181 1 34 . 1 1 10 10 ASN HB2 H 1 2.617 0.030 . 1 . . . . 10 ASN HB2 . 11181 1 35 . 1 1 10 10 ASN HB3 H 1 2.617 0.030 . 1 . . . . 10 ASN HB3 . 11181 1 36 . 1 1 10 10 ASN HD21 H 1 6.771 0.030 . 2 . . . . 10 ASN HD21 . 11181 1 37 . 1 1 10 10 ASN HD22 H 1 7.459 0.030 . 2 . . . . 10 ASN HD22 . 11181 1 38 . 1 1 10 10 ASN C C 13 172.667 0.300 . 1 . . . . 10 ASN C . 11181 1 39 . 1 1 10 10 ASN CA C 13 50.823 0.300 . 1 . . . . 10 ASN CA . 11181 1 40 . 1 1 10 10 ASN CB C 13 36.932 0.300 . 1 . . . . 10 ASN CB . 11181 1 41 . 1 1 10 10 ASN N N 15 122.855 0.300 . 1 . . . . 10 ASN N . 11181 1 42 . 1 1 10 10 ASN ND2 N 15 112.145 0.300 . 1 . . . . 10 ASN ND2 . 11181 1 43 . 1 1 11 11 VAL H H 1 8.119 0.030 . 1 . . . . 11 VAL H . 11181 1 44 . 1 1 11 11 VAL HA H 1 4.114 0.030 . 1 . . . . 11 VAL HA . 11181 1 45 . 1 1 11 11 VAL HB H 1 2.022 0.030 . 1 . . . . 11 VAL HB . 11181 1 46 . 1 1 11 11 VAL HG11 H 1 0.834 0.030 . 1 . . . . 11 VAL HG1 . 11181 1 47 . 1 1 11 11 VAL HG12 H 1 0.834 0.030 . 1 . . . . 11 VAL HG1 . 11181 1 48 . 1 1 11 11 VAL HG13 H 1 0.834 0.030 . 1 . . . . 11 VAL HG1 . 11181 1 49 . 1 1 11 11 VAL HG21 H 1 0.832 0.030 . 1 . . . . 11 VAL HG2 . 11181 1 50 . 1 1 11 11 VAL HG22 H 1 0.832 0.030 . 1 . . . . 11 VAL HG2 . 11181 1 51 . 1 1 11 11 VAL HG23 H 1 0.832 0.030 . 1 . . . . 11 VAL HG2 . 11181 1 52 . 1 1 11 11 VAL C C 13 173.978 0.300 . 1 . . . . 11 VAL C . 11181 1 53 . 1 1 11 11 VAL CA C 13 59.992 0.300 . 1 . . . . 11 VAL CA . 11181 1 54 . 1 1 11 11 VAL CB C 13 30.441 0.300 . 1 . . . . 11 VAL CB . 11181 1 55 . 1 1 11 11 VAL CG1 C 13 17.977 0.300 . 2 . . . . 11 VAL CG1 . 11181 1 56 . 1 1 11 11 VAL CG2 C 13 18.238 0.300 . 2 . . . . 11 VAL CG2 . 11181 1 57 . 1 1 11 11 VAL N N 15 120.563 0.300 . 1 . . . . 11 VAL N . 11181 1 58 . 1 1 12 12 THR H H 1 8.257 0.030 . 1 . . . . 12 THR H . 11181 1 59 . 1 1 12 12 THR HA H 1 4.323 0.030 . 1 . . . . 12 THR HA . 11181 1 60 . 1 1 12 12 THR HB H 1 4.127 0.030 . 1 . . . . 12 THR HB . 11181 1 61 . 1 1 12 12 THR HG21 H 1 1.098 0.030 . 1 . . . . 12 THR HG2 . 11181 1 62 . 1 1 12 12 THR HG22 H 1 1.098 0.030 . 1 . . . . 12 THR HG2 . 11181 1 63 . 1 1 12 12 THR HG23 H 1 1.098 0.030 . 1 . . . . 12 THR HG2 . 11181 1 64 . 1 1 12 12 THR C C 13 172.264 0.300 . 1 . . . . 12 THR C . 11181 1 65 . 1 1 12 12 THR CA C 13 59.545 0.300 . 1 . . . . 12 THR CA . 11181 1 66 . 1 1 12 12 THR CB C 13 67.428 0.300 . 1 . . . . 12 THR CB . 11181 1 67 . 1 1 12 12 THR CG2 C 13 19.214 0.300 . 1 . . . . 12 THR CG2 . 11181 1 68 . 1 1 12 12 THR N N 15 117.723 0.300 . 1 . . . . 12 THR N . 11181 1 69 . 1 1 13 13 THR H H 1 8.048 0.030 . 1 . . . . 13 THR H . 11181 1 70 . 1 1 13 13 THR HA H 1 4.214 0.030 . 1 . . . . 13 THR HA . 11181 1 71 . 1 1 13 13 THR HB H 1 4.011 0.030 . 1 . . . . 13 THR HB . 11181 1 72 . 1 1 13 13 THR HG21 H 1 1.083 0.030 . 1 . . . . 13 THR HG2 . 11181 1 73 . 1 1 13 13 THR HG22 H 1 1.083 0.030 . 1 . . . . 13 THR HG2 . 11181 1 74 . 1 1 13 13 THR HG23 H 1 1.083 0.030 . 1 . . . . 13 THR HG2 . 11181 1 75 . 1 1 13 13 THR C C 13 171.781 0.300 . 1 . . . . 13 THR C . 11181 1 76 . 1 1 13 13 THR CA C 13 59.500 0.300 . 1 . . . . 13 THR CA . 11181 1 77 . 1 1 13 13 THR CB C 13 67.364 0.300 . 1 . . . . 13 THR CB . 11181 1 78 . 1 1 13 13 THR CG2 C 13 19.296 0.300 . 1 . . . . 13 THR CG2 . 11181 1 79 . 1 1 13 13 THR N N 15 116.927 0.300 . 1 . . . . 13 THR N . 11181 1 80 . 1 1 14 14 LYS H H 1 8.220 0.030 . 1 . . . . 14 LYS H . 11181 1 81 . 1 1 14 14 LYS HA H 1 4.230 0.030 . 1 . . . . 14 LYS HA . 11181 1 82 . 1 1 14 14 LYS HB2 H 1 1.631 0.030 . 2 . . . . 14 LYS HB2 . 11181 1 83 . 1 1 14 14 LYS HB3 H 1 1.696 0.030 . 2 . . . . 14 LYS HB3 . 11181 1 84 . 1 1 14 14 LYS HD2 H 1 1.571 0.030 . 1 . . . . 14 LYS HD2 . 11181 1 85 . 1 1 14 14 LYS HD3 H 1 1.571 0.030 . 1 . . . . 14 LYS HD3 . 11181 1 86 . 1 1 14 14 LYS HE2 H 1 2.879 0.030 . 1 . . . . 14 LYS HE2 . 11181 1 87 . 1 1 14 14 LYS HE3 H 1 2.879 0.030 . 1 . . . . 14 LYS HE3 . 11181 1 88 . 1 1 14 14 LYS HG2 H 1 1.285 0.030 . 2 . . . . 14 LYS HG2 . 11181 1 89 . 1 1 14 14 LYS HG3 H 1 1.329 0.030 . 2 . . . . 14 LYS HG3 . 11181 1 90 . 1 1 14 14 LYS C C 13 173.832 0.300 . 1 . . . . 14 LYS C . 11181 1 91 . 1 1 14 14 LYS CA C 13 53.716 0.300 . 1 . . . . 14 LYS CA . 11181 1 92 . 1 1 14 14 LYS CB C 13 30.810 0.300 . 1 . . . . 14 LYS CB . 11181 1 93 . 1 1 14 14 LYS CD C 13 26.730 0.300 . 1 . . . . 14 LYS CD . 11181 1 94 . 1 1 14 14 LYS CE C 13 39.802 0.300 . 1 . . . . 14 LYS CE . 11181 1 95 . 1 1 14 14 LYS CG C 13 22.377 0.300 . 1 . . . . 14 LYS CG . 11181 1 96 . 1 1 14 14 LYS N N 15 124.199 0.300 . 1 . . . . 14 LYS N . 11181 1 97 . 1 1 15 15 LYS H H 1 8.236 0.030 . 1 . . . . 15 LYS H . 11181 1 98 . 1 1 15 15 LYS HA H 1 4.344 0.030 . 1 . . . . 15 LYS HA . 11181 1 99 . 1 1 15 15 LYS HB2 H 1 1.486 0.030 . 1 . . . . 15 LYS HB2 . 11181 1 100 . 1 1 15 15 LYS HB3 H 1 1.486 0.030 . 1 . . . . 15 LYS HB3 . 11181 1 101 . 1 1 15 15 LYS HD2 H 1 1.381 0.030 . 1 . . . . 15 LYS HD2 . 11181 1 102 . 1 1 15 15 LYS HD3 H 1 1.381 0.030 . 1 . . . . 15 LYS HD3 . 11181 1 103 . 1 1 15 15 LYS HE2 H 1 2.846 0.030 . 1 . . . . 15 LYS HE2 . 11181 1 104 . 1 1 15 15 LYS HE3 H 1 2.846 0.030 . 1 . . . . 15 LYS HE3 . 11181 1 105 . 1 1 15 15 LYS HG2 H 1 1.117 0.030 . 2 . . . . 15 LYS HG2 . 11181 1 106 . 1 1 15 15 LYS HG3 H 1 1.319 0.030 . 2 . . . . 15 LYS HG3 . 11181 1 107 . 1 1 15 15 LYS C C 13 173.964 0.300 . 1 . . . . 15 LYS C . 11181 1 108 . 1 1 15 15 LYS CA C 13 53.817 0.300 . 1 . . . . 15 LYS CA . 11181 1 109 . 1 1 15 15 LYS CB C 13 31.580 0.300 . 1 . . . . 15 LYS CB . 11181 1 110 . 1 1 15 15 LYS CD C 13 27.143 0.300 . 1 . . . . 15 LYS CD . 11181 1 111 . 1 1 15 15 LYS CE C 13 39.966 0.300 . 1 . . . . 15 LYS CE . 11181 1 112 . 1 1 15 15 LYS CG C 13 23.212 0.300 . 1 . . . . 15 LYS CG . 11181 1 113 . 1 1 15 15 LYS N N 15 123.016 0.300 . 1 . . . . 15 LYS N . 11181 1 114 . 1 1 16 16 THR H H 1 7.944 0.030 . 1 . . . . 16 THR H . 11181 1 115 . 1 1 16 16 THR HA H 1 4.559 0.030 . 1 . . . . 16 THR HA . 11181 1 116 . 1 1 16 16 THR HB H 1 4.158 0.030 . 1 . . . . 16 THR HB . 11181 1 117 . 1 1 16 16 THR HG21 H 1 1.171 0.030 . 1 . . . . 16 THR HG2 . 11181 1 118 . 1 1 16 16 THR HG22 H 1 1.171 0.030 . 1 . . . . 16 THR HG2 . 11181 1 119 . 1 1 16 16 THR HG23 H 1 1.171 0.030 . 1 . . . . 16 THR HG2 . 11181 1 120 . 1 1 16 16 THR C C 13 169.978 0.300 . 1 . . . . 16 THR C . 11181 1 121 . 1 1 16 16 THR CA C 13 57.196 0.300 . 1 . . . . 16 THR CA . 11181 1 122 . 1 1 16 16 THR CB C 13 67.163 0.300 . 1 . . . . 16 THR CB . 11181 1 123 . 1 1 16 16 THR CG2 C 13 19.438 0.300 . 1 . . . . 16 THR CG2 . 11181 1 124 . 1 1 16 16 THR N N 15 114.667 0.300 . 1 . . . . 16 THR N . 11181 1 125 . 1 1 17 17 PRO HA H 1 4.394 0.030 . 1 . . . . 17 PRO HA . 11181 1 126 . 1 1 17 17 PRO HB2 H 1 1.410 0.030 . 2 . . . . 17 PRO HB2 . 11181 1 127 . 1 1 17 17 PRO HB3 H 1 1.827 0.030 . 2 . . . . 17 PRO HB3 . 11181 1 128 . 1 1 17 17 PRO HD2 H 1 3.460 0.030 . 2 . . . . 17 PRO HD2 . 11181 1 129 . 1 1 17 17 PRO HD3 H 1 3.604 0.030 . 2 . . . . 17 PRO HD3 . 11181 1 130 . 1 1 17 17 PRO HG2 H 1 1.425 0.030 . 2 . . . . 17 PRO HG2 . 11181 1 131 . 1 1 17 17 PRO HG3 H 1 1.713 0.030 . 2 . . . . 17 PRO HG3 . 11181 1 132 . 1 1 17 17 PRO CA C 13 59.309 0.300 . 1 . . . . 17 PRO CA . 11181 1 133 . 1 1 17 17 PRO CB C 13 27.879 0.300 . 1 . . . . 17 PRO CB . 11181 1 134 . 1 1 17 17 PRO CD C 13 48.272 0.300 . 1 . . . . 17 PRO CD . 11181 1 135 . 1 1 17 17 PRO CG C 13 25.567 0.300 . 1 . . . . 17 PRO CG . 11181 1 136 . 1 1 18 18 PRO HA H 1 4.216 0.030 . 1 . . . . 18 PRO HA . 11181 1 137 . 1 1 18 18 PRO HB2 H 1 1.758 0.030 . 2 . . . . 18 PRO HB2 . 11181 1 138 . 1 1 18 18 PRO HB3 H 1 2.289 0.030 . 2 . . . . 18 PRO HB3 . 11181 1 139 . 1 1 18 18 PRO HD2 H 1 3.079 0.030 . 2 . . . . 18 PRO HD2 . 11181 1 140 . 1 1 18 18 PRO HD3 H 1 4.042 0.030 . 2 . . . . 18 PRO HD3 . 11181 1 141 . 1 1 18 18 PRO HG2 H 1 1.729 0.030 . 2 . . . . 18 PRO HG2 . 11181 1 142 . 1 1 18 18 PRO HG3 H 1 1.834 0.030 . 2 . . . . 18 PRO HG3 . 11181 1 143 . 1 1 18 18 PRO C C 13 175.196 0.300 . 1 . . . . 18 PRO C . 11181 1 144 . 1 1 18 18 PRO CA C 13 60.806 0.300 . 1 . . . . 18 PRO CA . 11181 1 145 . 1 1 18 18 PRO CB C 13 29.468 0.300 . 1 . . . . 18 PRO CB . 11181 1 146 . 1 1 18 18 PRO CD C 13 48.571 0.300 . 1 . . . . 18 PRO CD . 11181 1 147 . 1 1 18 18 PRO CG C 13 25.668 0.300 . 1 . . . . 18 PRO CG . 11181 1 148 . 1 1 19 19 SER H H 1 8.536 0.030 . 1 . . . . 19 SER H . 11181 1 149 . 1 1 19 19 SER HA H 1 4.225 0.030 . 1 . . . . 19 SER HA . 11181 1 150 . 1 1 19 19 SER HB2 H 1 3.834 0.030 . 1 . . . . 19 SER HB2 . 11181 1 151 . 1 1 19 19 SER HB3 H 1 3.834 0.030 . 1 . . . . 19 SER HB3 . 11181 1 152 . 1 1 19 19 SER C C 13 173.613 0.300 . 1 . . . . 19 SER C . 11181 1 153 . 1 1 19 19 SER CA C 13 57.216 0.300 . 1 . . . . 19 SER CA . 11181 1 154 . 1 1 19 19 SER CB C 13 61.647 0.300 . 1 . . . . 19 SER CB . 11181 1 155 . 1 1 19 19 SER N N 15 118.841 0.300 . 1 . . . . 19 SER N . 11181 1 156 . 1 1 20 20 GLN H H 1 8.326 0.030 . 1 . . . . 20 GLN H . 11181 1 157 . 1 1 20 20 GLN HA H 1 4.543 0.030 . 1 . . . . 20 GLN HA . 11181 1 158 . 1 1 20 20 GLN HB2 H 1 1.992 0.030 . 2 . . . . 20 GLN HB2 . 11181 1 159 . 1 1 20 20 GLN HB3 H 1 2.029 0.030 . 2 . . . . 20 GLN HB3 . 11181 1 160 . 1 1 20 20 GLN HE21 H 1 6.855 0.030 . 2 . . . . 20 GLN HE21 . 11181 1 161 . 1 1 20 20 GLN HE22 H 1 7.511 0.030 . 2 . . . . 20 GLN HE22 . 11181 1 162 . 1 1 20 20 GLN HG2 H 1 2.457 0.030 . 1 . . . . 20 GLN HG2 . 11181 1 163 . 1 1 20 20 GLN HG3 H 1 2.457 0.030 . 1 . . . . 20 GLN HG3 . 11181 1 164 . 1 1 20 20 GLN C C 13 171.034 0.300 . 1 . . . . 20 GLN C . 11181 1 165 . 1 1 20 20 GLN CA C 13 51.455 0.300 . 1 . . . . 20 GLN CA . 11181 1 166 . 1 1 20 20 GLN CB C 13 26.581 0.300 . 1 . . . . 20 GLN CB . 11181 1 167 . 1 1 20 20 GLN CG C 13 30.937 0.300 . 1 . . . . 20 GLN CG . 11181 1 168 . 1 1 20 20 GLN N N 15 125.514 0.300 . 1 . . . . 20 GLN N . 11181 1 169 . 1 1 20 20 GLN NE2 N 15 112.270 0.300 . 1 . . . . 20 GLN NE2 . 11181 1 170 . 1 1 21 21 PRO HA H 1 4.752 0.030 . 1 . . . . 21 PRO HA . 11181 1 171 . 1 1 21 21 PRO HB2 H 1 1.491 0.030 . 2 . . . . 21 PRO HB2 . 11181 1 172 . 1 1 21 21 PRO HB3 H 1 1.890 0.030 . 2 . . . . 21 PRO HB3 . 11181 1 173 . 1 1 21 21 PRO HD2 H 1 3.638 0.030 . 2 . . . . 21 PRO HD2 . 11181 1 174 . 1 1 21 21 PRO HD3 H 1 3.761 0.030 . 2 . . . . 21 PRO HD3 . 11181 1 175 . 1 1 21 21 PRO HG2 H 1 1.803 0.030 . 2 . . . . 21 PRO HG2 . 11181 1 176 . 1 1 21 21 PRO HG3 H 1 1.913 0.030 . 2 . . . . 21 PRO HG3 . 11181 1 177 . 1 1 21 21 PRO CA C 13 58.727 0.300 . 1 . . . . 21 PRO CA . 11181 1 178 . 1 1 21 21 PRO CB C 13 28.524 0.300 . 1 . . . . 21 PRO CB . 11181 1 179 . 1 1 21 21 PRO CD C 13 47.916 0.300 . 1 . . . . 21 PRO CD . 11181 1 180 . 1 1 21 21 PRO CG C 13 23.990 0.300 . 1 . . . . 21 PRO CG . 11181 1 181 . 1 1 22 22 PRO HA H 1 4.246 0.030 . 1 . . . . 22 PRO HA . 11181 1 182 . 1 1 22 22 PRO HB2 H 1 1.343 0.030 . 2 . . . . 22 PRO HB2 . 11181 1 183 . 1 1 22 22 PRO HB3 H 1 2.062 0.030 . 2 . . . . 22 PRO HB3 . 11181 1 184 . 1 1 22 22 PRO HD2 H 1 3.266 0.030 . 2 . . . . 22 PRO HD2 . 11181 1 185 . 1 1 22 22 PRO HD3 H 1 4.304 0.030 . 2 . . . . 22 PRO HD3 . 11181 1 186 . 1 1 22 22 PRO HG2 H 1 1.531 0.030 . 2 . . . . 22 PRO HG2 . 11181 1 187 . 1 1 22 22 PRO HG3 H 1 1.612 0.030 . 2 . . . . 22 PRO HG3 . 11181 1 188 . 1 1 22 22 PRO C C 13 173.953 0.300 . 1 . . . . 22 PRO C . 11181 1 189 . 1 1 22 22 PRO CA C 13 61.116 0.300 . 1 . . . . 22 PRO CA . 11181 1 190 . 1 1 22 22 PRO CB C 13 29.040 0.300 . 1 . . . . 22 PRO CB . 11181 1 191 . 1 1 22 22 PRO CD C 13 48.041 0.300 . 1 . . . . 22 PRO CD . 11181 1 192 . 1 1 22 22 PRO CG C 13 25.715 0.300 . 1 . . . . 22 PRO CG . 11181 1 193 . 1 1 23 23 GLY H H 1 8.148 0.030 . 1 . . . . 23 GLY H . 11181 1 194 . 1 1 23 23 GLY HA2 H 1 3.638 0.030 . 2 . . . . 23 GLY HA2 . 11181 1 195 . 1 1 23 23 GLY HA3 H 1 4.195 0.030 . 2 . . . . 23 GLY HA3 . 11181 1 196 . 1 1 23 23 GLY C C 13 170.047 0.300 . 1 . . . . 23 GLY C . 11181 1 197 . 1 1 23 23 GLY CA C 13 41.937 0.300 . 1 . . . . 23 GLY CA . 11181 1 198 . 1 1 23 23 GLY N N 15 111.578 0.300 . 1 . . . . 23 GLY N . 11181 1 199 . 1 1 24 24 ASN H H 1 8.501 0.030 . 1 . . . . 24 ASN H . 11181 1 200 . 1 1 24 24 ASN HA H 1 4.166 0.030 . 1 . . . . 24 ASN HA . 11181 1 201 . 1 1 24 24 ASN HB2 H 1 2.397 0.030 . 2 . . . . 24 ASN HB2 . 11181 1 202 . 1 1 24 24 ASN HB3 H 1 2.831 0.030 . 2 . . . . 24 ASN HB3 . 11181 1 203 . 1 1 24 24 ASN HD21 H 1 6.633 0.030 . 2 . . . . 24 ASN HD21 . 11181 1 204 . 1 1 24 24 ASN HD22 H 1 7.554 0.030 . 2 . . . . 24 ASN HD22 . 11181 1 205 . 1 1 24 24 ASN C C 13 170.823 0.300 . 1 . . . . 24 ASN C . 11181 1 206 . 1 1 24 24 ASN CA C 13 51.407 0.300 . 1 . . . . 24 ASN CA . 11181 1 207 . 1 1 24 24 ASN CB C 13 35.957 0.300 . 1 . . . . 24 ASN CB . 11181 1 208 . 1 1 24 24 ASN N N 15 115.973 0.300 . 1 . . . . 24 ASN N . 11181 1 209 . 1 1 24 24 ASN ND2 N 15 112.451 0.300 . 1 . . . . 24 ASN ND2 . 11181 1 210 . 1 1 25 25 VAL H H 1 8.187 0.030 . 1 . . . . 25 VAL H . 11181 1 211 . 1 1 25 25 VAL HA H 1 4.572 0.030 . 1 . . . . 25 VAL HA . 11181 1 212 . 1 1 25 25 VAL HB H 1 2.048 0.030 . 1 . . . . 25 VAL HB . 11181 1 213 . 1 1 25 25 VAL HG11 H 1 0.881 0.030 . 1 . . . . 25 VAL HG1 . 11181 1 214 . 1 1 25 25 VAL HG12 H 1 0.881 0.030 . 1 . . . . 25 VAL HG1 . 11181 1 215 . 1 1 25 25 VAL HG13 H 1 0.881 0.030 . 1 . . . . 25 VAL HG1 . 11181 1 216 . 1 1 25 25 VAL HG21 H 1 0.797 0.030 . 1 . . . . 25 VAL HG2 . 11181 1 217 . 1 1 25 25 VAL HG22 H 1 0.797 0.030 . 1 . . . . 25 VAL HG2 . 11181 1 218 . 1 1 25 25 VAL HG23 H 1 0.797 0.030 . 1 . . . . 25 VAL HG2 . 11181 1 219 . 1 1 25 25 VAL C C 13 174.474 0.300 . 1 . . . . 25 VAL C . 11181 1 220 . 1 1 25 25 VAL CA C 13 61.138 0.300 . 1 . . . . 25 VAL CA . 11181 1 221 . 1 1 25 25 VAL CB C 13 28.418 0.300 . 1 . . . . 25 VAL CB . 11181 1 222 . 1 1 25 25 VAL CG1 C 13 19.800 0.300 . 2 . . . . 25 VAL CG1 . 11181 1 223 . 1 1 25 25 VAL CG2 C 13 18.145 0.300 . 2 . . . . 25 VAL CG2 . 11181 1 224 . 1 1 25 25 VAL N N 15 118.442 0.300 . 1 . . . . 25 VAL N . 11181 1 225 . 1 1 26 26 VAL H H 1 9.248 0.030 . 1 . . . . 26 VAL H . 11181 1 226 . 1 1 26 26 VAL HA H 1 4.620 0.030 . 1 . . . . 26 VAL HA . 11181 1 227 . 1 1 26 26 VAL HB H 1 1.966 0.030 . 1 . . . . 26 VAL HB . 11181 1 228 . 1 1 26 26 VAL HG11 H 1 0.729 0.030 . 1 . . . . 26 VAL HG1 . 11181 1 229 . 1 1 26 26 VAL HG12 H 1 0.729 0.030 . 1 . . . . 26 VAL HG1 . 11181 1 230 . 1 1 26 26 VAL HG13 H 1 0.729 0.030 . 1 . . . . 26 VAL HG1 . 11181 1 231 . 1 1 26 26 VAL HG21 H 1 0.762 0.030 . 1 . . . . 26 VAL HG2 . 11181 1 232 . 1 1 26 26 VAL HG22 H 1 0.762 0.030 . 1 . . . . 26 VAL HG2 . 11181 1 233 . 1 1 26 26 VAL HG23 H 1 0.762 0.030 . 1 . . . . 26 VAL HG2 . 11181 1 234 . 1 1 26 26 VAL C C 13 171.672 0.300 . 1 . . . . 26 VAL C . 11181 1 235 . 1 1 26 26 VAL CA C 13 57.864 0.300 . 1 . . . . 26 VAL CA . 11181 1 236 . 1 1 26 26 VAL CB C 13 33.665 0.300 . 1 . . . . 26 VAL CB . 11181 1 237 . 1 1 26 26 VAL CG1 C 13 19.108 0.300 . 2 . . . . 26 VAL CG1 . 11181 1 238 . 1 1 26 26 VAL CG2 C 13 17.042 0.300 . 2 . . . . 26 VAL CG2 . 11181 1 239 . 1 1 26 26 VAL N N 15 125.229 0.300 . 1 . . . . 26 VAL N . 11181 1 240 . 1 1 27 27 TRP H H 1 7.876 0.030 . 1 . . . . 27 TRP H . 11181 1 241 . 1 1 27 27 TRP HA H 1 5.992 0.030 . 1 . . . . 27 TRP HA . 11181 1 242 . 1 1 27 27 TRP HB2 H 1 2.774 0.030 . 2 . . . . 27 TRP HB2 . 11181 1 243 . 1 1 27 27 TRP HB3 H 1 3.021 0.030 . 2 . . . . 27 TRP HB3 . 11181 1 244 . 1 1 27 27 TRP HD1 H 1 6.901 0.030 . 1 . . . . 27 TRP HD1 . 11181 1 245 . 1 1 27 27 TRP HE1 H 1 10.297 0.030 . 1 . . . . 27 TRP HE1 . 11181 1 246 . 1 1 27 27 TRP HE3 H 1 7.059 0.030 . 1 . . . . 27 TRP HE3 . 11181 1 247 . 1 1 27 27 TRP HH2 H 1 7.171 0.030 . 1 . . . . 27 TRP HH2 . 11181 1 248 . 1 1 27 27 TRP HZ2 H 1 7.501 0.030 . 1 . . . . 27 TRP HZ2 . 11181 1 249 . 1 1 27 27 TRP HZ3 H 1 6.951 0.030 . 1 . . . . 27 TRP HZ3 . 11181 1 250 . 1 1 27 27 TRP C C 13 172.194 0.300 . 1 . . . . 27 TRP C . 11181 1 251 . 1 1 27 27 TRP CA C 13 51.531 0.300 . 1 . . . . 27 TRP CA . 11181 1 252 . 1 1 27 27 TRP CB C 13 31.344 0.300 . 1 . . . . 27 TRP CB . 11181 1 253 . 1 1 27 27 TRP CD1 C 13 124.614 0.300 . 1 . . . . 27 TRP CD1 . 11181 1 254 . 1 1 27 27 TRP CE3 C 13 117.283 0.300 . 1 . . . . 27 TRP CE3 . 11181 1 255 . 1 1 27 27 TRP CH2 C 13 121.981 0.300 . 1 . . . . 27 TRP CH2 . 11181 1 256 . 1 1 27 27 TRP CZ2 C 13 112.427 0.300 . 1 . . . . 27 TRP CZ2 . 11181 1 257 . 1 1 27 27 TRP CZ3 C 13 119.282 0.300 . 1 . . . . 27 TRP CZ3 . 11181 1 258 . 1 1 27 27 TRP N N 15 117.045 0.300 . 1 . . . . 27 TRP N . 11181 1 259 . 1 1 27 27 TRP NE1 N 15 129.331 0.300 . 1 . . . . 27 TRP NE1 . 11181 1 260 . 1 1 28 28 ASN H H 1 8.864 0.030 . 1 . . . . 28 ASN H . 11181 1 261 . 1 1 28 28 ASN HA H 1 4.568 0.030 . 1 . . . . 28 ASN HA . 11181 1 262 . 1 1 28 28 ASN HB2 H 1 2.499 0.030 . 2 . . . . 28 ASN HB2 . 11181 1 263 . 1 1 28 28 ASN HB3 H 1 2.544 0.030 . 2 . . . . 28 ASN HB3 . 11181 1 264 . 1 1 28 28 ASN HD21 H 1 6.550 0.030 . 2 . . . . 28 ASN HD21 . 11181 1 265 . 1 1 28 28 ASN HD22 H 1 7.415 0.030 . 2 . . . . 28 ASN HD22 . 11181 1 266 . 1 1 28 28 ASN C C 13 170.738 0.300 . 1 . . . . 28 ASN C . 11181 1 267 . 1 1 28 28 ASN CA C 13 50.919 0.300 . 1 . . . . 28 ASN CA . 11181 1 268 . 1 1 28 28 ASN CB C 13 40.133 0.300 . 1 . . . . 28 ASN CB . 11181 1 269 . 1 1 28 28 ASN N N 15 116.910 0.300 . 1 . . . . 28 ASN N . 11181 1 270 . 1 1 28 28 ASN ND2 N 15 112.455 0.300 . 1 . . . . 28 ASN ND2 . 11181 1 271 . 1 1 29 29 ALA H H 1 9.156 0.030 . 1 . . . . 29 ALA H . 11181 1 272 . 1 1 29 29 ALA HA H 1 5.330 0.030 . 1 . . . . 29 ALA HA . 11181 1 273 . 1 1 29 29 ALA HB1 H 1 1.532 0.030 . 1 . . . . 29 ALA HB . 11181 1 274 . 1 1 29 29 ALA HB2 H 1 1.532 0.030 . 1 . . . . 29 ALA HB . 11181 1 275 . 1 1 29 29 ALA HB3 H 1 1.532 0.030 . 1 . . . . 29 ALA HB . 11181 1 276 . 1 1 29 29 ALA C C 13 175.129 0.300 . 1 . . . . 29 ALA C . 11181 1 277 . 1 1 29 29 ALA CA C 13 49.242 0.300 . 1 . . . . 29 ALA CA . 11181 1 278 . 1 1 29 29 ALA CB C 13 18.857 0.300 . 1 . . . . 29 ALA CB . 11181 1 279 . 1 1 29 29 ALA N N 15 126.108 0.300 . 1 . . . . 29 ALA N . 11181 1 280 . 1 1 30 30 THR H H 1 8.946 0.030 . 1 . . . . 30 THR H . 11181 1 281 . 1 1 30 30 THR HA H 1 4.683 0.030 . 1 . . . . 30 THR HA . 11181 1 282 . 1 1 30 30 THR HB H 1 4.593 0.030 . 1 . . . . 30 THR HB . 11181 1 283 . 1 1 30 30 THR HG21 H 1 1.132 0.030 . 1 . . . . 30 THR HG2 . 11181 1 284 . 1 1 30 30 THR HG22 H 1 1.132 0.030 . 1 . . . . 30 THR HG2 . 11181 1 285 . 1 1 30 30 THR HG23 H 1 1.132 0.030 . 1 . . . . 30 THR HG2 . 11181 1 286 . 1 1 30 30 THR C C 13 171.311 0.300 . 1 . . . . 30 THR C . 11181 1 287 . 1 1 30 30 THR CA C 13 57.283 0.300 . 1 . . . . 30 THR CA . 11181 1 288 . 1 1 30 30 THR CB C 13 67.991 0.300 . 1 . . . . 30 THR CB . 11181 1 289 . 1 1 30 30 THR CG2 C 13 19.400 0.300 . 1 . . . . 30 THR CG2 . 11181 1 290 . 1 1 30 30 THR N N 15 115.605 0.300 . 1 . . . . 30 THR N . 11181 1 291 . 1 1 31 31 ASP H H 1 8.635 0.030 . 1 . . . . 31 ASP H . 11181 1 292 . 1 1 31 31 ASP HA H 1 4.355 0.030 . 1 . . . . 31 ASP HA . 11181 1 293 . 1 1 31 31 ASP HB2 H 1 2.684 0.030 . 2 . . . . 31 ASP HB2 . 11181 1 294 . 1 1 31 31 ASP HB3 H 1 2.727 0.030 . 2 . . . . 31 ASP HB3 . 11181 1 295 . 1 1 31 31 ASP C C 13 174.900 0.300 . 1 . . . . 31 ASP C . 11181 1 296 . 1 1 31 31 ASP CA C 13 54.061 0.300 . 1 . . . . 31 ASP CA . 11181 1 297 . 1 1 31 31 ASP CB C 13 37.945 0.300 . 1 . . . . 31 ASP CB . 11181 1 298 . 1 1 32 32 THR H H 1 7.989 0.030 . 1 . . . . 32 THR H . 11181 1 299 . 1 1 32 32 THR HA H 1 4.442 0.030 . 1 . . . . 32 THR HA . 11181 1 300 . 1 1 32 32 THR HB H 1 4.212 0.030 . 1 . . . . 32 THR HB . 11181 1 301 . 1 1 32 32 THR HG21 H 1 1.046 0.030 . 1 . . . . 32 THR HG2 . 11181 1 302 . 1 1 32 32 THR HG22 H 1 1.046 0.030 . 1 . . . . 32 THR HG2 . 11181 1 303 . 1 1 32 32 THR HG23 H 1 1.046 0.030 . 1 . . . . 32 THR HG2 . 11181 1 304 . 1 1 32 32 THR C C 13 172.303 0.300 . 1 . . . . 32 THR C . 11181 1 305 . 1 1 32 32 THR CA C 13 59.572 0.300 . 1 . . . . 32 THR CA . 11181 1 306 . 1 1 32 32 THR CB C 13 69.020 0.300 . 1 . . . . 32 THR CB . 11181 1 307 . 1 1 32 32 THR CG2 C 13 19.725 0.300 . 1 . . . . 32 THR CG2 . 11181 1 308 . 1 1 32 32 THR N N 15 105.587 0.300 . 1 . . . . 32 THR N . 11181 1 309 . 1 1 33 33 LYS H H 1 7.744 0.030 . 1 . . . . 33 LYS H . 11181 1 310 . 1 1 33 33 LYS HA H 1 4.888 0.030 . 1 . . . . 33 LYS HA . 11181 1 311 . 1 1 33 33 LYS HB2 H 1 1.538 0.030 . 2 . . . . 33 LYS HB2 . 11181 1 312 . 1 1 33 33 LYS HB3 H 1 1.707 0.030 . 2 . . . . 33 LYS HB3 . 11181 1 313 . 1 1 33 33 LYS HD2 H 1 1.337 0.030 . 2 . . . . 33 LYS HD2 . 11181 1 314 . 1 1 33 33 LYS HD3 H 1 1.415 0.030 . 2 . . . . 33 LYS HD3 . 11181 1 315 . 1 1 33 33 LYS HE2 H 1 2.714 0.030 . 1 . . . . 33 LYS HE2 . 11181 1 316 . 1 1 33 33 LYS HE3 H 1 2.714 0.030 . 1 . . . . 33 LYS HE3 . 11181 1 317 . 1 1 33 33 LYS HG2 H 1 1.178 0.030 . 1 . . . . 33 LYS HG2 . 11181 1 318 . 1 1 33 33 LYS HG3 H 1 1.178 0.030 . 1 . . . . 33 LYS HG3 . 11181 1 319 . 1 1 33 33 LYS C C 13 172.302 0.300 . 1 . . . . 33 LYS C . 11181 1 320 . 1 1 33 33 LYS CA C 13 52.928 0.300 . 1 . . . . 33 LYS CA . 11181 1 321 . 1 1 33 33 LYS CB C 13 34.068 0.300 . 1 . . . . 33 LYS CB . 11181 1 322 . 1 1 33 33 LYS CD C 13 26.972 0.300 . 1 . . . . 33 LYS CD . 11181 1 323 . 1 1 33 33 LYS CE C 13 39.856 0.300 . 1 . . . . 33 LYS CE . 11181 1 324 . 1 1 33 33 LYS CG C 13 21.503 0.300 . 1 . . . . 33 LYS CG . 11181 1 325 . 1 1 33 33 LYS N N 15 120.815 0.300 . 1 . . . . 33 LYS N . 11181 1 326 . 1 1 34 34 VAL H H 1 9.011 0.030 . 1 . . . . 34 VAL H . 11181 1 327 . 1 1 34 34 VAL HA H 1 4.662 0.030 . 1 . . . . 34 VAL HA . 11181 1 328 . 1 1 34 34 VAL HB H 1 1.789 0.030 . 1 . . . . 34 VAL HB . 11181 1 329 . 1 1 34 34 VAL HG11 H 1 0.838 0.030 . 1 . . . . 34 VAL HG1 . 11181 1 330 . 1 1 34 34 VAL HG12 H 1 0.838 0.030 . 1 . . . . 34 VAL HG1 . 11181 1 331 . 1 1 34 34 VAL HG13 H 1 0.838 0.030 . 1 . . . . 34 VAL HG1 . 11181 1 332 . 1 1 34 34 VAL HG21 H 1 0.879 0.030 . 1 . . . . 34 VAL HG2 . 11181 1 333 . 1 1 34 34 VAL HG22 H 1 0.879 0.030 . 1 . . . . 34 VAL HG2 . 11181 1 334 . 1 1 34 34 VAL HG23 H 1 0.879 0.030 . 1 . . . . 34 VAL HG2 . 11181 1 335 . 1 1 34 34 VAL C C 13 171.345 0.300 . 1 . . . . 34 VAL C . 11181 1 336 . 1 1 34 34 VAL CA C 13 59.130 0.300 . 1 . . . . 34 VAL CA . 11181 1 337 . 1 1 34 34 VAL CB C 13 31.727 0.300 . 1 . . . . 34 VAL CB . 11181 1 338 . 1 1 34 34 VAL CG1 C 13 19.859 0.300 . 2 . . . . 34 VAL CG1 . 11181 1 339 . 1 1 34 34 VAL CG2 C 13 20.500 0.300 . 2 . . . . 34 VAL CG2 . 11181 1 340 . 1 1 34 34 VAL N N 15 117.757 0.300 . 1 . . . . 34 VAL N . 11181 1 341 . 1 1 35 35 LEU H H 1 9.020 0.030 . 1 . . . . 35 LEU H . 11181 1 342 . 1 1 35 35 LEU HA H 1 4.895 0.030 . 1 . . . . 35 LEU HA . 11181 1 343 . 1 1 35 35 LEU HB2 H 1 1.628 0.030 . 2 . . . . 35 LEU HB2 . 11181 1 344 . 1 1 35 35 LEU HB3 H 1 1.660 0.030 . 2 . . . . 35 LEU HB3 . 11181 1 345 . 1 1 35 35 LEU HD11 H 1 0.790 0.030 . 1 . . . . 35 LEU HD1 . 11181 1 346 . 1 1 35 35 LEU HD12 H 1 0.790 0.030 . 1 . . . . 35 LEU HD1 . 11181 1 347 . 1 1 35 35 LEU HD13 H 1 0.790 0.030 . 1 . . . . 35 LEU HD1 . 11181 1 348 . 1 1 35 35 LEU HD21 H 1 0.774 0.030 . 1 . . . . 35 LEU HD2 . 11181 1 349 . 1 1 35 35 LEU HD22 H 1 0.774 0.030 . 1 . . . . 35 LEU HD2 . 11181 1 350 . 1 1 35 35 LEU HD23 H 1 0.774 0.030 . 1 . . . . 35 LEU HD2 . 11181 1 351 . 1 1 35 35 LEU HG H 1 1.525 0.030 . 1 . . . . 35 LEU HG . 11181 1 352 . 1 1 35 35 LEU C C 13 173.880 0.300 . 1 . . . . 35 LEU C . 11181 1 353 . 1 1 35 35 LEU CA C 13 51.614 0.300 . 1 . . . . 35 LEU CA . 11181 1 354 . 1 1 35 35 LEU CB C 13 40.377 0.300 . 1 . . . . 35 LEU CB . 11181 1 355 . 1 1 35 35 LEU CD1 C 13 22.738 0.300 . 2 . . . . 35 LEU CD1 . 11181 1 356 . 1 1 35 35 LEU CD2 C 13 22.264 0.300 . 2 . . . . 35 LEU CD2 . 11181 1 357 . 1 1 35 35 LEU CG C 13 25.373 0.300 . 1 . . . . 35 LEU CG . 11181 1 358 . 1 1 35 35 LEU N N 15 127.160 0.300 . 1 . . . . 35 LEU N . 11181 1 359 . 1 1 36 36 LEU H H 1 8.942 0.030 . 1 . . . . 36 LEU H . 11181 1 360 . 1 1 36 36 LEU HA H 1 5.456 0.030 . 1 . . . . 36 LEU HA . 11181 1 361 . 1 1 36 36 LEU HB2 H 1 1.604 0.030 . 2 . . . . 36 LEU HB2 . 11181 1 362 . 1 1 36 36 LEU HB3 H 1 1.654 0.030 . 2 . . . . 36 LEU HB3 . 11181 1 363 . 1 1 36 36 LEU HD11 H 1 0.680 0.030 . 1 . . . . 36 LEU HD1 . 11181 1 364 . 1 1 36 36 LEU HD12 H 1 0.680 0.030 . 1 . . . . 36 LEU HD1 . 11181 1 365 . 1 1 36 36 LEU HD13 H 1 0.680 0.030 . 1 . . . . 36 LEU HD1 . 11181 1 366 . 1 1 36 36 LEU HD21 H 1 0.715 0.030 . 1 . . . . 36 LEU HD2 . 11181 1 367 . 1 1 36 36 LEU HD22 H 1 0.715 0.030 . 1 . . . . 36 LEU HD2 . 11181 1 368 . 1 1 36 36 LEU HD23 H 1 0.715 0.030 . 1 . . . . 36 LEU HD2 . 11181 1 369 . 1 1 36 36 LEU HG H 1 1.572 0.030 . 1 . . . . 36 LEU HG . 11181 1 370 . 1 1 36 36 LEU C C 13 173.601 0.300 . 1 . . . . 36 LEU C . 11181 1 371 . 1 1 36 36 LEU CA C 13 51.202 0.300 . 1 . . . . 36 LEU CA . 11181 1 372 . 1 1 36 36 LEU CB C 13 44.498 0.300 . 1 . . . . 36 LEU CB . 11181 1 373 . 1 1 36 36 LEU CD1 C 13 23.931 0.300 . 2 . . . . 36 LEU CD1 . 11181 1 374 . 1 1 36 36 LEU CD2 C 13 23.400 0.300 . 2 . . . . 36 LEU CD2 . 11181 1 375 . 1 1 36 36 LEU CG C 13 25.356 0.300 . 1 . . . . 36 LEU CG . 11181 1 376 . 1 1 36 36 LEU N N 15 124.256 0.300 . 1 . . . . 36 LEU N . 11181 1 377 . 1 1 37 37 ASN H H 1 8.864 0.030 . 1 . . . . 37 ASN H . 11181 1 378 . 1 1 37 37 ASN HA H 1 4.856 0.030 . 1 . . . . 37 ASN HA . 11181 1 379 . 1 1 37 37 ASN HB2 H 1 2.288 0.030 . 2 . . . . 37 ASN HB2 . 11181 1 380 . 1 1 37 37 ASN HB3 H 1 2.466 0.030 . 2 . . . . 37 ASN HB3 . 11181 1 381 . 1 1 37 37 ASN HD21 H 1 6.423 0.030 . 2 . . . . 37 ASN HD21 . 11181 1 382 . 1 1 37 37 ASN HD22 H 1 7.473 0.030 . 2 . . . . 37 ASN HD22 . 11181 1 383 . 1 1 37 37 ASN C C 13 170.096 0.300 . 1 . . . . 37 ASN C . 11181 1 384 . 1 1 37 37 ASN CA C 13 51.055 0.300 . 1 . . . . 37 ASN CA . 11181 1 385 . 1 1 37 37 ASN CB C 13 41.638 0.300 . 1 . . . . 37 ASN CB . 11181 1 386 . 1 1 37 37 ASN N N 15 118.914 0.300 . 1 . . . . 37 ASN N . 11181 1 387 . 1 1 37 37 ASN ND2 N 15 113.182 0.300 . 1 . . . . 37 ASN ND2 . 11181 1 388 . 1 1 38 38 TRP H H 1 7.262 0.030 . 1 . . . . 38 TRP H . 11181 1 389 . 1 1 38 38 TRP HA H 1 5.032 0.030 . 1 . . . . 38 TRP HA . 11181 1 390 . 1 1 38 38 TRP HB2 H 1 2.915 0.030 . 2 . . . . 38 TRP HB2 . 11181 1 391 . 1 1 38 38 TRP HB3 H 1 3.323 0.030 . 2 . . . . 38 TRP HB3 . 11181 1 392 . 1 1 38 38 TRP HD1 H 1 6.799 0.030 . 1 . . . . 38 TRP HD1 . 11181 1 393 . 1 1 38 38 TRP HE1 H 1 5.598 0.030 . 1 . . . . 38 TRP HE1 . 11181 1 394 . 1 1 38 38 TRP HE3 H 1 6.802 0.030 . 1 . . . . 38 TRP HE3 . 11181 1 395 . 1 1 38 38 TRP HH2 H 1 6.364 0.030 . 1 . . . . 38 TRP HH2 . 11181 1 396 . 1 1 38 38 TRP HZ2 H 1 6.881 0.030 . 1 . . . . 38 TRP HZ2 . 11181 1 397 . 1 1 38 38 TRP HZ3 H 1 6.392 0.030 . 1 . . . . 38 TRP HZ3 . 11181 1 398 . 1 1 38 38 TRP C C 13 171.563 0.300 . 1 . . . . 38 TRP C . 11181 1 399 . 1 1 38 38 TRP CA C 13 54.209 0.300 . 1 . . . . 38 TRP CA . 11181 1 400 . 1 1 38 38 TRP CB C 13 28.689 0.300 . 1 . . . . 38 TRP CB . 11181 1 401 . 1 1 38 38 TRP CD1 C 13 123.916 0.300 . 1 . . . . 38 TRP CD1 . 11181 1 402 . 1 1 38 38 TRP CE3 C 13 116.489 0.300 . 1 . . . . 38 TRP CE3 . 11181 1 403 . 1 1 38 38 TRP CH2 C 13 121.092 0.300 . 1 . . . . 38 TRP CH2 . 11181 1 404 . 1 1 38 38 TRP CZ2 C 13 112.267 0.300 . 1 . . . . 38 TRP CZ2 . 11181 1 405 . 1 1 38 38 TRP CZ3 C 13 118.331 0.300 . 1 . . . . 38 TRP CZ3 . 11181 1 406 . 1 1 38 38 TRP N N 15 115.503 0.300 . 1 . . . . 38 TRP N . 11181 1 407 . 1 1 38 38 TRP NE1 N 15 123.247 0.300 . 1 . . . . 38 TRP NE1 . 11181 1 408 . 1 1 39 39 GLU H H 1 8.594 0.030 . 1 . . . . 39 GLU H . 11181 1 409 . 1 1 39 39 GLU HA H 1 4.308 0.030 . 1 . . . . 39 GLU HA . 11181 1 410 . 1 1 39 39 GLU HB2 H 1 1.778 0.030 . 2 . . . . 39 GLU HB2 . 11181 1 411 . 1 1 39 39 GLU HB3 H 1 1.961 0.030 . 2 . . . . 39 GLU HB3 . 11181 1 412 . 1 1 39 39 GLU HG2 H 1 2.267 0.030 . 2 . . . . 39 GLU HG2 . 11181 1 413 . 1 1 39 39 GLU HG3 H 1 2.307 0.030 . 2 . . . . 39 GLU HG3 . 11181 1 414 . 1 1 39 39 GLU C C 13 173.649 0.300 . 1 . . . . 39 GLU C . 11181 1 415 . 1 1 39 39 GLU CA C 13 53.012 0.300 . 1 . . . . 39 GLU CA . 11181 1 416 . 1 1 39 39 GLU CB C 13 28.724 0.300 . 1 . . . . 39 GLU CB . 11181 1 417 . 1 1 39 39 GLU CG C 13 34.554 0.300 . 1 . . . . 39 GLU CG . 11181 1 418 . 1 1 39 39 GLU N N 15 117.638 0.300 . 1 . . . . 39 GLU N . 11181 1 419 . 1 1 40 40 GLN H H 1 8.219 0.030 . 1 . . . . 40 GLN H . 11181 1 420 . 1 1 40 40 GLN HA H 1 4.149 0.030 . 1 . . . . 40 GLN HA . 11181 1 421 . 1 1 40 40 GLN HB2 H 1 1.923 0.030 . 2 . . . . 40 GLN HB2 . 11181 1 422 . 1 1 40 40 GLN HB3 H 1 1.975 0.030 . 2 . . . . 40 GLN HB3 . 11181 1 423 . 1 1 40 40 GLN HE21 H 1 6.880 0.030 . 2 . . . . 40 GLN HE21 . 11181 1 424 . 1 1 40 40 GLN HE22 H 1 7.583 0.030 . 2 . . . . 40 GLN HE22 . 11181 1 425 . 1 1 40 40 GLN HG2 H 1 2.243 0.030 . 1 . . . . 40 GLN HG2 . 11181 1 426 . 1 1 40 40 GLN HG3 H 1 2.243 0.030 . 1 . . . . 40 GLN HG3 . 11181 1 427 . 1 1 40 40 GLN C C 13 174.283 0.300 . 1 . . . . 40 GLN C . 11181 1 428 . 1 1 40 40 GLN CA C 13 53.558 0.300 . 1 . . . . 40 GLN CA . 11181 1 429 . 1 1 40 40 GLN CB C 13 27.388 0.300 . 1 . . . . 40 GLN CB . 11181 1 430 . 1 1 40 40 GLN CG C 13 31.018 0.300 . 1 . . . . 40 GLN CG . 11181 1 431 . 1 1 40 40 GLN N N 15 117.943 0.300 . 1 . . . . 40 GLN N . 11181 1 432 . 1 1 40 40 GLN NE2 N 15 111.420 0.300 . 1 . . . . 40 GLN NE2 . 11181 1 433 . 1 1 41 41 VAL H H 1 8.059 0.030 . 1 . . . . 41 VAL H . 11181 1 434 . 1 1 41 41 VAL HA H 1 4.072 0.030 . 1 . . . . 41 VAL HA . 11181 1 435 . 1 1 41 41 VAL HB H 1 1.948 0.030 . 1 . . . . 41 VAL HB . 11181 1 436 . 1 1 41 41 VAL HG11 H 1 0.815 0.030 . 1 . . . . 41 VAL HG1 . 11181 1 437 . 1 1 41 41 VAL HG12 H 1 0.815 0.030 . 1 . . . . 41 VAL HG1 . 11181 1 438 . 1 1 41 41 VAL HG13 H 1 0.815 0.030 . 1 . . . . 41 VAL HG1 . 11181 1 439 . 1 1 41 41 VAL HG21 H 1 1.056 0.030 . 1 . . . . 41 VAL HG2 . 11181 1 440 . 1 1 41 41 VAL HG22 H 1 1.056 0.030 . 1 . . . . 41 VAL HG2 . 11181 1 441 . 1 1 41 41 VAL HG23 H 1 1.056 0.030 . 1 . . . . 41 VAL HG2 . 11181 1 442 . 1 1 41 41 VAL C C 13 172.020 0.300 . 1 . . . . 41 VAL C . 11181 1 443 . 1 1 41 41 VAL CA C 13 59.763 0.300 . 1 . . . . 41 VAL CA . 11181 1 444 . 1 1 41 41 VAL CB C 13 31.000 0.300 . 1 . . . . 41 VAL CB . 11181 1 445 . 1 1 41 41 VAL CG1 C 13 18.805 0.300 . 2 . . . . 41 VAL CG1 . 11181 1 446 . 1 1 41 41 VAL CG2 C 13 19.875 0.300 . 2 . . . . 41 VAL CG2 . 11181 1 447 . 1 1 41 41 VAL N N 15 124.545 0.300 . 1 . . . . 41 VAL N . 11181 1 448 . 1 1 42 42 LYS H H 1 8.439 0.030 . 1 . . . . 42 LYS H . 11181 1 449 . 1 1 42 42 LYS HA H 1 4.431 0.030 . 1 . . . . 42 LYS HA . 11181 1 450 . 1 1 42 42 LYS HB2 H 1 1.544 0.030 . 2 . . . . 42 LYS HB2 . 11181 1 451 . 1 1 42 42 LYS HB3 H 1 1.682 0.030 . 2 . . . . 42 LYS HB3 . 11181 1 452 . 1 1 42 42 LYS HD2 H 1 1.593 0.030 . 1 . . . . 42 LYS HD2 . 11181 1 453 . 1 1 42 42 LYS HD3 H 1 1.593 0.030 . 1 . . . . 42 LYS HD3 . 11181 1 454 . 1 1 42 42 LYS HE2 H 1 2.894 0.030 . 1 . . . . 42 LYS HE2 . 11181 1 455 . 1 1 42 42 LYS HE3 H 1 2.894 0.030 . 1 . . . . 42 LYS HE3 . 11181 1 456 . 1 1 42 42 LYS HG2 H 1 1.265 0.030 . 1 . . . . 42 LYS HG2 . 11181 1 457 . 1 1 42 42 LYS HG3 H 1 1.265 0.030 . 1 . . . . 42 LYS HG3 . 11181 1 458 . 1 1 42 42 LYS C C 13 172.606 0.300 . 1 . . . . 42 LYS C . 11181 1 459 . 1 1 42 42 LYS CA C 13 52.270 0.300 . 1 . . . . 42 LYS CA . 11181 1 460 . 1 1 42 42 LYS CB C 13 31.576 0.300 . 1 . . . . 42 LYS CB . 11181 1 461 . 1 1 42 42 LYS CD C 13 26.739 0.300 . 1 . . . . 42 LYS CD . 11181 1 462 . 1 1 42 42 LYS CE C 13 39.773 0.300 . 1 . . . . 42 LYS CE . 11181 1 463 . 1 1 42 42 LYS CG C 13 22.451 0.300 . 1 . . . . 42 LYS CG . 11181 1 464 . 1 1 42 42 LYS N N 15 127.556 0.300 . 1 . . . . 42 LYS N . 11181 1 465 . 1 1 43 43 ALA H H 1 8.424 0.030 . 1 . . . . 43 ALA H . 11181 1 466 . 1 1 43 43 ALA HA H 1 4.280 0.030 . 1 . . . . 43 ALA HA . 11181 1 467 . 1 1 43 43 ALA HB1 H 1 1.300 0.030 . 1 . . . . 43 ALA HB . 11181 1 468 . 1 1 43 43 ALA HB2 H 1 1.300 0.030 . 1 . . . . 43 ALA HB . 11181 1 469 . 1 1 43 43 ALA HB3 H 1 1.300 0.030 . 1 . . . . 43 ALA HB . 11181 1 470 . 1 1 43 43 ALA C C 13 176.039 0.300 . 1 . . . . 43 ALA C . 11181 1 471 . 1 1 43 43 ALA CA C 13 49.947 0.300 . 1 . . . . 43 ALA CA . 11181 1 472 . 1 1 43 43 ALA CB C 13 18.120 0.300 . 1 . . . . 43 ALA CB . 11181 1 473 . 1 1 43 43 ALA N N 15 127.235 0.300 . 1 . . . . 43 ALA N . 11181 1 474 . 1 1 44 44 MET H H 1 9.152 0.030 . 1 . . . . 44 MET H . 11181 1 475 . 1 1 44 44 MET HA H 1 4.540 0.030 . 1 . . . . 44 MET HA . 11181 1 476 . 1 1 44 44 MET HB2 H 1 1.794 0.030 . 2 . . . . 44 MET HB2 . 11181 1 477 . 1 1 44 44 MET HB3 H 1 2.164 0.030 . 2 . . . . 44 MET HB3 . 11181 1 478 . 1 1 44 44 MET HE1 H 1 2.038 0.030 . 1 . . . . 44 MET HE . 11181 1 479 . 1 1 44 44 MET HE2 H 1 2.038 0.030 . 1 . . . . 44 MET HE . 11181 1 480 . 1 1 44 44 MET HE3 H 1 2.038 0.030 . 1 . . . . 44 MET HE . 11181 1 481 . 1 1 44 44 MET HG2 H 1 2.497 0.030 . 2 . . . . 44 MET HG2 . 11181 1 482 . 1 1 44 44 MET HG3 H 1 2.694 0.030 . 2 . . . . 44 MET HG3 . 11181 1 483 . 1 1 44 44 MET C C 13 174.596 0.300 . 1 . . . . 44 MET C . 11181 1 484 . 1 1 44 44 MET CA C 13 51.811 0.300 . 1 . . . . 44 MET CA . 11181 1 485 . 1 1 44 44 MET CB C 13 31.087 0.300 . 1 . . . . 44 MET CB . 11181 1 486 . 1 1 44 44 MET CE C 13 15.170 0.300 . 1 . . . . 44 MET CE . 11181 1 487 . 1 1 44 44 MET CG C 13 30.398 0.300 . 1 . . . . 44 MET CG . 11181 1 488 . 1 1 44 44 MET N N 15 122.075 0.300 . 1 . . . . 44 MET N . 11181 1 489 . 1 1 45 45 GLU H H 1 8.513 0.030 . 1 . . . . 45 GLU H . 11181 1 490 . 1 1 45 45 GLU HA H 1 3.944 0.030 . 1 . . . . 45 GLU HA . 11181 1 491 . 1 1 45 45 GLU HB2 H 1 1.891 0.030 . 2 . . . . 45 GLU HB2 . 11181 1 492 . 1 1 45 45 GLU HB3 H 1 1.961 0.030 . 2 . . . . 45 GLU HB3 . 11181 1 493 . 1 1 45 45 GLU HG2 H 1 2.220 0.030 . 1 . . . . 45 GLU HG2 . 11181 1 494 . 1 1 45 45 GLU HG3 H 1 2.220 0.030 . 1 . . . . 45 GLU HG3 . 11181 1 495 . 1 1 45 45 GLU C C 13 174.389 0.300 . 1 . . . . 45 GLU C . 11181 1 496 . 1 1 45 45 GLU CA C 13 56.967 0.300 . 1 . . . . 45 GLU CA . 11181 1 497 . 1 1 45 45 GLU CB C 13 27.087 0.300 . 1 . . . . 45 GLU CB . 11181 1 498 . 1 1 45 45 GLU CG C 13 33.795 0.300 . 1 . . . . 45 GLU CG . 11181 1 499 . 1 1 45 45 GLU N N 15 119.022 0.300 . 1 . . . . 45 GLU N . 11181 1 500 . 1 1 46 46 ASN H H 1 8.494 0.030 . 1 . . . . 46 ASN H . 11181 1 501 . 1 1 46 46 ASN HA H 1 4.501 0.030 . 1 . . . . 46 ASN HA . 11181 1 502 . 1 1 46 46 ASN HB2 H 1 2.807 0.030 . 2 . . . . 46 ASN HB2 . 11181 1 503 . 1 1 46 46 ASN HB3 H 1 2.902 0.030 . 2 . . . . 46 ASN HB3 . 11181 1 504 . 1 1 46 46 ASN HD21 H 1 6.832 0.030 . 2 . . . . 46 ASN HD21 . 11181 1 505 . 1 1 46 46 ASN HD22 H 1 7.514 0.030 . 2 . . . . 46 ASN HD22 . 11181 1 506 . 1 1 46 46 ASN C C 13 171.575 0.300 . 1 . . . . 46 ASN C . 11181 1 507 . 1 1 46 46 ASN CA C 13 51.355 0.300 . 1 . . . . 46 ASN CA . 11181 1 508 . 1 1 46 46 ASN CB C 13 35.469 0.300 . 1 . . . . 46 ASN CB . 11181 1 509 . 1 1 46 46 ASN N N 15 114.368 0.300 . 1 . . . . 46 ASN N . 11181 1 510 . 1 1 46 46 ASN ND2 N 15 113.235 0.300 . 1 . . . . 46 ASN ND2 . 11181 1 511 . 1 1 47 47 GLU H H 1 7.646 0.030 . 1 . . . . 47 GLU H . 11181 1 512 . 1 1 47 47 GLU HA H 1 4.877 0.030 . 1 . . . . 47 GLU HA . 11181 1 513 . 1 1 47 47 GLU HB2 H 1 1.638 0.030 . 2 . . . . 47 GLU HB2 . 11181 1 514 . 1 1 47 47 GLU HB3 H 1 2.094 0.030 . 2 . . . . 47 GLU HB3 . 11181 1 515 . 1 1 47 47 GLU HG2 H 1 1.940 0.030 . 2 . . . . 47 GLU HG2 . 11181 1 516 . 1 1 47 47 GLU HG3 H 1 2.038 0.030 . 2 . . . . 47 GLU HG3 . 11181 1 517 . 1 1 47 47 GLU C C 13 173.370 0.300 . 1 . . . . 47 GLU C . 11181 1 518 . 1 1 47 47 GLU CA C 13 51.888 0.300 . 1 . . . . 47 GLU CA . 11181 1 519 . 1 1 47 47 GLU CB C 13 30.390 0.300 . 1 . . . . 47 GLU CB . 11181 1 520 . 1 1 47 47 GLU CG C 13 34.125 0.300 . 1 . . . . 47 GLU CG . 11181 1 521 . 1 1 47 47 GLU N N 15 118.019 0.300 . 1 . . . . 47 GLU N . 11181 1 522 . 1 1 48 48 SER H H 1 8.256 0.030 . 1 . . . . 48 SER H . 11181 1 523 . 1 1 48 48 SER HA H 1 3.944 0.030 . 1 . . . . 48 SER HA . 11181 1 524 . 1 1 48 48 SER HB2 H 1 3.315 0.030 . 2 . . . . 48 SER HB2 . 11181 1 525 . 1 1 48 48 SER HB3 H 1 3.660 0.030 . 2 . . . . 48 SER HB3 . 11181 1 526 . 1 1 48 48 SER C C 13 170.088 0.300 . 1 . . . . 48 SER C . 11181 1 527 . 1 1 48 48 SER CA C 13 56.997 0.300 . 1 . . . . 48 SER CA . 11181 1 528 . 1 1 48 48 SER CB C 13 61.817 0.300 . 1 . . . . 48 SER CB . 11181 1 529 . 1 1 48 48 SER N N 15 117.717 0.300 . 1 . . . . 48 SER N . 11181 1 530 . 1 1 49 49 GLU H H 1 7.949 0.030 . 1 . . . . 49 GLU H . 11181 1 531 . 1 1 49 49 GLU HA H 1 3.839 0.030 . 1 . . . . 49 GLU HA . 11181 1 532 . 1 1 49 49 GLU HB2 H 1 1.803 0.030 . 2 . . . . 49 GLU HB2 . 11181 1 533 . 1 1 49 49 GLU HB3 H 1 1.839 0.030 . 2 . . . . 49 GLU HB3 . 11181 1 534 . 1 1 49 49 GLU HG2 H 1 2.177 0.030 . 2 . . . . 49 GLU HG2 . 11181 1 535 . 1 1 49 49 GLU HG3 H 1 2.230 0.030 . 2 . . . . 49 GLU HG3 . 11181 1 536 . 1 1 49 49 GLU C C 13 174.680 0.300 . 1 . . . . 49 GLU C . 11181 1 537 . 1 1 49 49 GLU CA C 13 54.433 0.300 . 1 . . . . 49 GLU CA . 11181 1 538 . 1 1 49 49 GLU CB C 13 28.202 0.300 . 1 . . . . 49 GLU CB . 11181 1 539 . 1 1 49 49 GLU CG C 13 33.902 0.300 . 1 . . . . 49 GLU CG . 11181 1 540 . 1 1 49 49 GLU N N 15 119.992 0.300 . 1 . . . . 49 GLU N . 11181 1 541 . 1 1 50 50 VAL H H 1 8.257 0.030 . 1 . . . . 50 VAL H . 11181 1 542 . 1 1 50 50 VAL HA H 1 3.997 0.030 . 1 . . . . 50 VAL HA . 11181 1 543 . 1 1 50 50 VAL HB H 1 1.999 0.030 . 1 . . . . 50 VAL HB . 11181 1 544 . 1 1 50 50 VAL HG11 H 1 0.875 0.030 . 1 . . . . 50 VAL HG1 . 11181 1 545 . 1 1 50 50 VAL HG12 H 1 0.875 0.030 . 1 . . . . 50 VAL HG1 . 11181 1 546 . 1 1 50 50 VAL HG13 H 1 0.875 0.030 . 1 . . . . 50 VAL HG1 . 11181 1 547 . 1 1 50 50 VAL HG21 H 1 0.845 0.030 . 1 . . . . 50 VAL HG2 . 11181 1 548 . 1 1 50 50 VAL HG22 H 1 0.845 0.030 . 1 . . . . 50 VAL HG2 . 11181 1 549 . 1 1 50 50 VAL HG23 H 1 0.845 0.030 . 1 . . . . 50 VAL HG2 . 11181 1 550 . 1 1 50 50 VAL C C 13 175.638 0.300 . 1 . . . . 50 VAL C . 11181 1 551 . 1 1 50 50 VAL CA C 13 61.418 0.300 . 1 . . . . 50 VAL CA . 11181 1 552 . 1 1 50 50 VAL CB C 13 30.153 0.300 . 1 . . . . 50 VAL CB . 11181 1 553 . 1 1 50 50 VAL CG1 C 13 18.968 0.300 . 2 . . . . 50 VAL CG1 . 11181 1 554 . 1 1 50 50 VAL CG2 C 13 20.286 0.300 . 2 . . . . 50 VAL CG2 . 11181 1 555 . 1 1 50 50 VAL N N 15 123.502 0.300 . 1 . . . . 50 VAL N . 11181 1 556 . 1 1 51 51 THR H H 1 8.912 0.030 . 1 . . . . 51 THR H . 11181 1 557 . 1 1 51 51 THR HA H 1 4.329 0.030 . 1 . . . . 51 THR HA . 11181 1 558 . 1 1 51 51 THR HB H 1 4.262 0.030 . 1 . . . . 51 THR HB . 11181 1 559 . 1 1 51 51 THR HG21 H 1 1.067 0.030 . 1 . . . . 51 THR HG2 . 11181 1 560 . 1 1 51 51 THR HG22 H 1 1.067 0.030 . 1 . . . . 51 THR HG2 . 11181 1 561 . 1 1 51 51 THR HG23 H 1 1.067 0.030 . 1 . . . . 51 THR HG2 . 11181 1 562 . 1 1 51 51 THR C C 13 171.891 0.300 . 1 . . . . 51 THR C . 11181 1 563 . 1 1 51 51 THR CA C 13 58.743 0.300 . 1 . . . . 51 THR CA . 11181 1 564 . 1 1 51 51 THR CB C 13 66.906 0.300 . 1 . . . . 51 THR CB . 11181 1 565 . 1 1 51 51 THR CG2 C 13 19.780 0.300 . 1 . . . . 51 THR CG2 . 11181 1 566 . 1 1 51 51 THR N N 15 119.678 0.300 . 1 . . . . 51 THR N . 11181 1 567 . 1 1 52 52 GLY H H 1 7.278 0.030 . 1 . . . . 52 GLY H . 11181 1 568 . 1 1 52 52 GLY HA2 H 1 3.659 0.030 . 2 . . . . 52 GLY HA2 . 11181 1 569 . 1 1 52 52 GLY HA3 H 1 4.240 0.030 . 2 . . . . 52 GLY HA3 . 11181 1 570 . 1 1 52 52 GLY C C 13 167.464 0.300 . 1 . . . . 52 GLY C . 11181 1 571 . 1 1 52 52 GLY CA C 13 42.505 0.300 . 1 . . . . 52 GLY CA . 11181 1 572 . 1 1 52 52 GLY N N 15 110.073 0.300 . 1 . . . . 52 GLY N . 11181 1 573 . 1 1 53 53 TYR H H 1 9.055 0.030 . 1 . . . . 53 TYR H . 11181 1 574 . 1 1 53 53 TYR HA H 1 5.209 0.030 . 1 . . . . 53 TYR HA . 11181 1 575 . 1 1 53 53 TYR HB2 H 1 2.679 0.030 . 2 . . . . 53 TYR HB2 . 11181 1 576 . 1 1 53 53 TYR HB3 H 1 2.904 0.030 . 2 . . . . 53 TYR HB3 . 11181 1 577 . 1 1 53 53 TYR HD1 H 1 6.970 0.030 . 1 . . . . 53 TYR HD1 . 11181 1 578 . 1 1 53 53 TYR HD2 H 1 6.970 0.030 . 1 . . . . 53 TYR HD2 . 11181 1 579 . 1 1 53 53 TYR HE1 H 1 6.691 0.030 . 1 . . . . 53 TYR HE1 . 11181 1 580 . 1 1 53 53 TYR HE2 H 1 6.691 0.030 . 1 . . . . 53 TYR HE2 . 11181 1 581 . 1 1 53 53 TYR C C 13 172.303 0.300 . 1 . . . . 53 TYR C . 11181 1 582 . 1 1 53 53 TYR CA C 13 54.348 0.300 . 1 . . . . 53 TYR CA . 11181 1 583 . 1 1 53 53 TYR CB C 13 41.012 0.300 . 1 . . . . 53 TYR CB . 11181 1 584 . 1 1 53 53 TYR CD1 C 13 130.675 0.300 . 1 . . . . 53 TYR CD1 . 11181 1 585 . 1 1 53 53 TYR CD2 C 13 130.675 0.300 . 1 . . . . 53 TYR CD2 . 11181 1 586 . 1 1 53 53 TYR CE1 C 13 116.076 0.300 . 1 . . . . 53 TYR CE1 . 11181 1 587 . 1 1 53 53 TYR CE2 C 13 116.076 0.300 . 1 . . . . 53 TYR CE2 . 11181 1 588 . 1 1 53 53 TYR N N 15 114.775 0.300 . 1 . . . . 53 TYR N . 11181 1 589 . 1 1 54 54 LYS H H 1 9.383 0.030 . 1 . . . . 54 LYS H . 11181 1 590 . 1 1 54 54 LYS HA H 1 4.898 0.030 . 1 . . . . 54 LYS HA . 11181 1 591 . 1 1 54 54 LYS HB2 H 1 1.006 0.030 . 2 . . . . 54 LYS HB2 . 11181 1 592 . 1 1 54 54 LYS HB3 H 1 1.183 0.030 . 2 . . . . 54 LYS HB3 . 11181 1 593 . 1 1 54 54 LYS HD2 H 1 1.459 0.030 . 1 . . . . 54 LYS HD2 . 11181 1 594 . 1 1 54 54 LYS HD3 H 1 1.459 0.030 . 1 . . . . 54 LYS HD3 . 11181 1 595 . 1 1 54 54 LYS HE2 H 1 2.758 0.030 . 2 . . . . 54 LYS HE2 . 11181 1 596 . 1 1 54 54 LYS HE3 H 1 2.809 0.030 . 2 . . . . 54 LYS HE3 . 11181 1 597 . 1 1 54 54 LYS HG2 H 1 1.035 0.030 . 2 . . . . 54 LYS HG2 . 11181 1 598 . 1 1 54 54 LYS HG3 H 1 1.103 0.030 . 2 . . . . 54 LYS HG3 . 11181 1 599 . 1 1 54 54 LYS C C 13 171.867 0.300 . 1 . . . . 54 LYS C . 11181 1 600 . 1 1 54 54 LYS CA C 13 52.697 0.300 . 1 . . . . 54 LYS CA . 11181 1 601 . 1 1 54 54 LYS CB C 13 35.856 0.300 . 1 . . . . 54 LYS CB . 11181 1 602 . 1 1 54 54 LYS CD C 13 28.534 0.300 . 1 . . . . 54 LYS CD . 11181 1 603 . 1 1 54 54 LYS CE C 13 39.832 0.300 . 1 . . . . 54 LYS CE . 11181 1 604 . 1 1 54 54 LYS CG C 13 23.364 0.300 . 1 . . . . 54 LYS CG . 11181 1 605 . 1 1 54 54 LYS N N 15 121.056 0.300 . 1 . . . . 54 LYS N . 11181 1 606 . 1 1 55 55 VAL H H 1 8.924 0.030 . 1 . . . . 55 VAL H . 11181 1 607 . 1 1 55 55 VAL HA H 1 4.202 0.030 . 1 . . . . 55 VAL HA . 11181 1 608 . 1 1 55 55 VAL HB H 1 1.992 0.030 . 1 . . . . 55 VAL HB . 11181 1 609 . 1 1 55 55 VAL HG11 H 1 0.559 0.030 . 1 . . . . 55 VAL HG1 . 11181 1 610 . 1 1 55 55 VAL HG12 H 1 0.559 0.030 . 1 . . . . 55 VAL HG1 . 11181 1 611 . 1 1 55 55 VAL HG13 H 1 0.559 0.030 . 1 . . . . 55 VAL HG1 . 11181 1 612 . 1 1 55 55 VAL HG21 H 1 0.573 0.030 . 1 . . . . 55 VAL HG2 . 11181 1 613 . 1 1 55 55 VAL HG22 H 1 0.573 0.030 . 1 . . . . 55 VAL HG2 . 11181 1 614 . 1 1 55 55 VAL HG23 H 1 0.573 0.030 . 1 . . . . 55 VAL HG2 . 11181 1 615 . 1 1 55 55 VAL C C 13 172.327 0.300 . 1 . . . . 55 VAL C . 11181 1 616 . 1 1 55 55 VAL CA C 13 58.779 0.300 . 1 . . . . 55 VAL CA . 11181 1 617 . 1 1 55 55 VAL CB C 13 30.454 0.300 . 1 . . . . 55 VAL CB . 11181 1 618 . 1 1 55 55 VAL CG1 C 13 19.081 0.300 . 2 . . . . 55 VAL CG1 . 11181 1 619 . 1 1 55 55 VAL CG2 C 13 19.226 0.300 . 2 . . . . 55 VAL CG2 . 11181 1 620 . 1 1 55 55 VAL N N 15 121.987 0.300 . 1 . . . . 55 VAL N . 11181 1 621 . 1 1 56 56 PHE H H 1 9.312 0.030 . 1 . . . . 56 PHE H . 11181 1 622 . 1 1 56 56 PHE HA H 1 5.276 0.030 . 1 . . . . 56 PHE HA . 11181 1 623 . 1 1 56 56 PHE HB2 H 1 2.689 0.030 . 2 . . . . 56 PHE HB2 . 11181 1 624 . 1 1 56 56 PHE HB3 H 1 3.018 0.030 . 2 . . . . 56 PHE HB3 . 11181 1 625 . 1 1 56 56 PHE HD1 H 1 7.006 0.030 . 1 . . . . 56 PHE HD1 . 11181 1 626 . 1 1 56 56 PHE HD2 H 1 7.006 0.030 . 1 . . . . 56 PHE HD2 . 11181 1 627 . 1 1 56 56 PHE HE1 H 1 7.017 0.030 . 1 . . . . 56 PHE HE1 . 11181 1 628 . 1 1 56 56 PHE HE2 H 1 7.017 0.030 . 1 . . . . 56 PHE HE2 . 11181 1 629 . 1 1 56 56 PHE HZ H 1 7.101 0.030 . 1 . . . . 56 PHE HZ . 11181 1 630 . 1 1 56 56 PHE C C 13 173.322 0.300 . 1 . . . . 56 PHE C . 11181 1 631 . 1 1 56 56 PHE CA C 13 53.589 0.300 . 1 . . . . 56 PHE CA . 11181 1 632 . 1 1 56 56 PHE CB C 13 37.374 0.300 . 1 . . . . 56 PHE CB . 11181 1 633 . 1 1 56 56 PHE CD1 C 13 129.438 0.300 . 1 . . . . 56 PHE CD1 . 11181 1 634 . 1 1 56 56 PHE CD2 C 13 129.438 0.300 . 1 . . . . 56 PHE CD2 . 11181 1 635 . 1 1 56 56 PHE CE1 C 13 128.930 0.300 . 1 . . . . 56 PHE CE1 . 11181 1 636 . 1 1 56 56 PHE CE2 C 13 128.930 0.300 . 1 . . . . 56 PHE CE2 . 11181 1 637 . 1 1 56 56 PHE CZ C 13 126.678 0.300 . 1 . . . . 56 PHE CZ . 11181 1 638 . 1 1 56 56 PHE N N 15 127.177 0.300 . 1 . . . . 56 PHE N . 11181 1 639 . 1 1 57 57 TYR H H 1 9.191 0.030 . 1 . . . . 57 TYR H . 11181 1 640 . 1 1 57 57 TYR HA H 1 5.707 0.030 . 1 . . . . 57 TYR HA . 11181 1 641 . 1 1 57 57 TYR HB2 H 1 2.227 0.030 . 2 . . . . 57 TYR HB2 . 11181 1 642 . 1 1 57 57 TYR HB3 H 1 2.500 0.030 . 2 . . . . 57 TYR HB3 . 11181 1 643 . 1 1 57 57 TYR HD1 H 1 6.521 0.030 . 1 . . . . 57 TYR HD1 . 11181 1 644 . 1 1 57 57 TYR HD2 H 1 6.521 0.030 . 1 . . . . 57 TYR HD2 . 11181 1 645 . 1 1 57 57 TYR HE1 H 1 6.405 0.030 . 1 . . . . 57 TYR HE1 . 11181 1 646 . 1 1 57 57 TYR HE2 H 1 6.405 0.030 . 1 . . . . 57 TYR HE2 . 11181 1 647 . 1 1 57 57 TYR C C 13 170.023 0.300 . 1 . . . . 57 TYR C . 11181 1 648 . 1 1 57 57 TYR CA C 13 52.579 0.300 . 1 . . . . 57 TYR CA . 11181 1 649 . 1 1 57 57 TYR CB C 13 40.431 0.300 . 1 . . . . 57 TYR CB . 11181 1 650 . 1 1 57 57 TYR CD1 C 13 130.867 0.300 . 1 . . . . 57 TYR CD1 . 11181 1 651 . 1 1 57 57 TYR CD2 C 13 130.867 0.300 . 1 . . . . 57 TYR CD2 . 11181 1 652 . 1 1 57 57 TYR CE1 C 13 115.474 0.300 . 1 . . . . 57 TYR CE1 . 11181 1 653 . 1 1 57 57 TYR CE2 C 13 115.474 0.300 . 1 . . . . 57 TYR CE2 . 11181 1 654 . 1 1 57 57 TYR N N 15 119.690 0.300 . 1 . . . . 57 TYR N . 11181 1 655 . 1 1 58 58 ARG H H 1 8.319 0.030 . 1 . . . . 58 ARG H . 11181 1 656 . 1 1 58 58 ARG HA H 1 4.882 0.030 . 1 . . . . 58 ARG HA . 11181 1 657 . 1 1 58 58 ARG HB2 H 1 1.854 0.030 . 2 . . . . 58 ARG HB2 . 11181 1 658 . 1 1 58 58 ARG HB3 H 1 1.955 0.030 . 2 . . . . 58 ARG HB3 . 11181 1 659 . 1 1 58 58 ARG HD2 H 1 2.771 0.030 . 2 . . . . 58 ARG HD2 . 11181 1 660 . 1 1 58 58 ARG HD3 H 1 3.068 0.030 . 2 . . . . 58 ARG HD3 . 11181 1 661 . 1 1 58 58 ARG HG2 H 1 1.301 0.030 . 2 . . . . 58 ARG HG2 . 11181 1 662 . 1 1 58 58 ARG HG3 H 1 1.465 0.030 . 2 . . . . 58 ARG HG3 . 11181 1 663 . 1 1 58 58 ARG C C 13 172.752 0.300 . 1 . . . . 58 ARG C . 11181 1 664 . 1 1 58 58 ARG CA C 13 51.620 0.300 . 1 . . . . 58 ARG CA . 11181 1 665 . 1 1 58 58 ARG CB C 13 30.941 0.300 . 1 . . . . 58 ARG CB . 11181 1 666 . 1 1 58 58 ARG CD C 13 40.945 0.300 . 1 . . . . 58 ARG CD . 11181 1 667 . 1 1 58 58 ARG CG C 13 23.702 0.300 . 1 . . . . 58 ARG CG . 11181 1 668 . 1 1 58 58 ARG N N 15 117.279 0.300 . 1 . . . . 58 ARG N . 11181 1 669 . 1 1 59 59 THR H H 1 8.451 0.030 . 1 . . . . 59 THR H . 11181 1 670 . 1 1 59 59 THR HA H 1 5.317 0.030 . 1 . . . . 59 THR HA . 11181 1 671 . 1 1 59 59 THR HB H 1 4.336 0.030 . 1 . . . . 59 THR HB . 11181 1 672 . 1 1 59 59 THR HG21 H 1 1.021 0.030 . 1 . . . . 59 THR HG2 . 11181 1 673 . 1 1 59 59 THR HG22 H 1 1.021 0.030 . 1 . . . . 59 THR HG2 . 11181 1 674 . 1 1 59 59 THR HG23 H 1 1.021 0.030 . 1 . . . . 59 THR HG2 . 11181 1 675 . 1 1 59 59 THR C C 13 175.020 0.300 . 1 . . . . 59 THR C . 11181 1 676 . 1 1 59 59 THR CA C 13 58.176 0.300 . 1 . . . . 59 THR CA . 11181 1 677 . 1 1 59 59 THR CB C 13 67.713 0.300 . 1 . . . . 59 THR CB . 11181 1 678 . 1 1 59 59 THR CG2 C 13 19.725 0.300 . 1 . . . . 59 THR CG2 . 11181 1 679 . 1 1 59 59 THR N N 15 111.183 0.300 . 1 . . . . 59 THR N . 11181 1 680 . 1 1 60 60 SER H H 1 8.240 0.030 . 1 . . . . 60 SER H . 11181 1 681 . 1 1 60 60 SER HA H 1 3.888 0.030 . 1 . . . . 60 SER HA . 11181 1 682 . 1 1 60 60 SER HB2 H 1 3.682 0.030 . 2 . . . . 60 SER HB2 . 11181 1 683 . 1 1 60 60 SER HB3 H 1 3.879 0.030 . 2 . . . . 60 SER HB3 . 11181 1 684 . 1 1 60 60 SER C C 13 173.176 0.300 . 1 . . . . 60 SER C . 11181 1 685 . 1 1 60 60 SER CA C 13 59.183 0.300 . 1 . . . . 60 SER CA . 11181 1 686 . 1 1 60 60 SER CB C 13 60.956 0.300 . 1 . . . . 60 SER CB . 11181 1 687 . 1 1 60 60 SER N N 15 113.613 0.300 . 1 . . . . 60 SER N . 11181 1 688 . 1 1 61 61 SER H H 1 8.126 0.030 . 1 . . . . 61 SER H . 11181 1 689 . 1 1 61 61 SER HA H 1 4.369 0.030 . 1 . . . . 61 SER HA . 11181 1 690 . 1 1 61 61 SER HB2 H 1 3.771 0.030 . 1 . . . . 61 SER HB2 . 11181 1 691 . 1 1 61 61 SER HB3 H 1 3.771 0.030 . 1 . . . . 61 SER HB3 . 11181 1 692 . 1 1 61 61 SER C C 13 172.291 0.300 . 1 . . . . 61 SER C . 11181 1 693 . 1 1 61 61 SER CA C 13 56.826 0.300 . 1 . . . . 61 SER CA . 11181 1 694 . 1 1 61 61 SER CB C 13 61.097 0.300 . 1 . . . . 61 SER CB . 11181 1 695 . 1 1 61 61 SER N N 15 113.820 0.300 . 1 . . . . 61 SER N . 11181 1 696 . 1 1 62 62 GLN H H 1 7.531 0.030 . 1 . . . . 62 GLN H . 11181 1 697 . 1 1 62 62 GLN HA H 1 4.302 0.030 . 1 . . . . 62 GLN HA . 11181 1 698 . 1 1 62 62 GLN HB2 H 1 2.077 0.030 . 2 . . . . 62 GLN HB2 . 11181 1 699 . 1 1 62 62 GLN HB3 H 1 2.115 0.030 . 2 . . . . 62 GLN HB3 . 11181 1 700 . 1 1 62 62 GLN HE21 H 1 6.717 0.030 . 2 . . . . 62 GLN HE21 . 11181 1 701 . 1 1 62 62 GLN HE22 H 1 7.472 0.030 . 2 . . . . 62 GLN HE22 . 11181 1 702 . 1 1 62 62 GLN HG2 H 1 2.308 0.030 . 2 . . . . 62 GLN HG2 . 11181 1 703 . 1 1 62 62 GLN HG3 H 1 2.395 0.030 . 2 . . . . 62 GLN HG3 . 11181 1 704 . 1 1 62 62 GLN C C 13 173.201 0.300 . 1 . . . . 62 GLN C . 11181 1 705 . 1 1 62 62 GLN CA C 13 53.199 0.300 . 1 . . . . 62 GLN CA . 11181 1 706 . 1 1 62 62 GLN CB C 13 28.205 0.300 . 1 . . . . 62 GLN CB . 11181 1 707 . 1 1 62 62 GLN CG C 13 31.837 0.300 . 1 . . . . 62 GLN CG . 11181 1 708 . 1 1 62 62 GLN N N 15 121.471 0.300 . 1 . . . . 62 GLN N . 11181 1 709 . 1 1 62 62 GLN NE2 N 15 111.715 0.300 . 1 . . . . 62 GLN NE2 . 11181 1 710 . 1 1 63 63 ASN H H 1 7.455 0.030 . 1 . . . . 63 ASN H . 11181 1 711 . 1 1 63 63 ASN HA H 1 4.610 0.030 . 1 . . . . 63 ASN HA . 11181 1 712 . 1 1 63 63 ASN HB2 H 1 2.621 0.030 . 2 . . . . 63 ASN HB2 . 11181 1 713 . 1 1 63 63 ASN HB3 H 1 2.728 0.030 . 2 . . . . 63 ASN HB3 . 11181 1 714 . 1 1 63 63 ASN HD21 H 1 6.798 0.030 . 2 . . . . 63 ASN HD21 . 11181 1 715 . 1 1 63 63 ASN HD22 H 1 7.473 0.030 . 2 . . . . 63 ASN HD22 . 11181 1 716 . 1 1 63 63 ASN C C 13 172.399 0.300 . 1 . . . . 63 ASN C . 11181 1 717 . 1 1 63 63 ASN CA C 13 51.090 0.300 . 1 . . . . 63 ASN CA . 11181 1 718 . 1 1 63 63 ASN CB C 13 36.758 0.300 . 1 . . . . 63 ASN CB . 11181 1 719 . 1 1 63 63 ASN ND2 N 15 112.790 0.300 . 1 . . . . 63 ASN ND2 . 11181 1 720 . 1 1 64 64 ASN H H 1 7.841 0.030 . 1 . . . . 64 ASN H . 11181 1 721 . 1 1 64 64 ASN HA H 1 4.685 0.030 . 1 . . . . 64 ASN HA . 11181 1 722 . 1 1 64 64 ASN HB2 H 1 2.612 0.030 . 1 . . . . 64 ASN HB2 . 11181 1 723 . 1 1 64 64 ASN HB3 H 1 2.612 0.030 . 1 . . . . 64 ASN HB3 . 11181 1 724 . 1 1 64 64 ASN HD21 H 1 6.799 0.030 . 2 . . . . 64 ASN HD21 . 11181 1 725 . 1 1 64 64 ASN HD22 H 1 7.469 0.030 . 2 . . . . 64 ASN HD22 . 11181 1 726 . 1 1 64 64 ASN C C 13 171.429 0.300 . 1 . . . . 64 ASN C . 11181 1 727 . 1 1 64 64 ASN CA C 13 50.140 0.300 . 1 . . . . 64 ASN CA . 11181 1 728 . 1 1 64 64 ASN CB C 13 36.951 0.300 . 1 . . . . 64 ASN CB . 11181 1 729 . 1 1 64 64 ASN N N 15 117.115 0.300 . 1 . . . . 64 ASN N . 11181 1 730 . 1 1 64 64 ASN ND2 N 15 112.673 0.300 . 1 . . . . 64 ASN ND2 . 11181 1 731 . 1 1 65 65 VAL H H 1 8.098 0.030 . 1 . . . . 65 VAL H . 11181 1 732 . 1 1 65 65 VAL HA H 1 4.032 0.030 . 1 . . . . 65 VAL HA . 11181 1 733 . 1 1 65 65 VAL HB H 1 1.898 0.030 . 1 . . . . 65 VAL HB . 11181 1 734 . 1 1 65 65 VAL HG11 H 1 0.804 0.030 . 1 . . . . 65 VAL HG1 . 11181 1 735 . 1 1 65 65 VAL HG12 H 1 0.804 0.030 . 1 . . . . 65 VAL HG1 . 11181 1 736 . 1 1 65 65 VAL HG13 H 1 0.804 0.030 . 1 . . . . 65 VAL HG1 . 11181 1 737 . 1 1 65 65 VAL HG21 H 1 0.817 0.030 . 1 . . . . 65 VAL HG2 . 11181 1 738 . 1 1 65 65 VAL HG22 H 1 0.817 0.030 . 1 . . . . 65 VAL HG2 . 11181 1 739 . 1 1 65 65 VAL HG23 H 1 0.817 0.030 . 1 . . . . 65 VAL HG2 . 11181 1 740 . 1 1 65 65 VAL C C 13 173.128 0.300 . 1 . . . . 65 VAL C . 11181 1 741 . 1 1 65 65 VAL CA C 13 59.465 0.300 . 1 . . . . 65 VAL CA . 11181 1 742 . 1 1 65 65 VAL CB C 13 31.104 0.300 . 1 . . . . 65 VAL CB . 11181 1 743 . 1 1 65 65 VAL CG1 C 13 18.768 0.300 . 2 . . . . 65 VAL CG1 . 11181 1 744 . 1 1 65 65 VAL CG2 C 13 19.342 0.300 . 2 . . . . 65 VAL CG2 . 11181 1 745 . 1 1 65 65 VAL N N 15 118.927 0.300 . 1 . . . . 65 VAL N . 11181 1 746 . 1 1 66 66 GLN H H 1 8.313 0.030 . 1 . . . . 66 GLN H . 11181 1 747 . 1 1 66 66 GLN HA H 1 4.272 0.030 . 1 . . . . 66 GLN HA . 11181 1 748 . 1 1 66 66 GLN HB2 H 1 0.529 0.030 . 2 . . . . 66 GLN HB2 . 11181 1 749 . 1 1 66 66 GLN HB3 H 1 1.483 0.030 . 2 . . . . 66 GLN HB3 . 11181 1 750 . 1 1 66 66 GLN HE21 H 1 6.783 0.030 . 2 . . . . 66 GLN HE21 . 11181 1 751 . 1 1 66 66 GLN HE22 H 1 7.237 0.030 . 2 . . . . 66 GLN HE22 . 11181 1 752 . 1 1 66 66 GLN HG2 H 1 2.012 0.030 . 1 . . . . 66 GLN HG2 . 11181 1 753 . 1 1 66 66 GLN HG3 H 1 2.012 0.030 . 1 . . . . 66 GLN HG3 . 11181 1 754 . 1 1 66 66 GLN C C 13 171.357 0.300 . 1 . . . . 66 GLN C . 11181 1 755 . 1 1 66 66 GLN CA C 13 52.058 0.300 . 1 . . . . 66 GLN CA . 11181 1 756 . 1 1 66 66 GLN CB C 13 28.459 0.300 . 1 . . . . 66 GLN CB . 11181 1 757 . 1 1 66 66 GLN CG C 13 32.464 0.300 . 1 . . . . 66 GLN CG . 11181 1 758 . 1 1 66 66 GLN N N 15 125.042 0.300 . 1 . . . . 66 GLN N . 11181 1 759 . 1 1 66 66 GLN NE2 N 15 111.920 0.300 . 1 . . . . 66 GLN NE2 . 11181 1 760 . 1 1 67 67 VAL H H 1 8.073 0.030 . 1 . . . . 67 VAL H . 11181 1 761 . 1 1 67 67 VAL HA H 1 4.907 0.030 . 1 . . . . 67 VAL HA . 11181 1 762 . 1 1 67 67 VAL HB H 1 1.582 0.030 . 1 . . . . 67 VAL HB . 11181 1 763 . 1 1 67 67 VAL HG11 H 1 0.361 0.030 . 1 . . . . 67 VAL HG1 . 11181 1 764 . 1 1 67 67 VAL HG12 H 1 0.361 0.030 . 1 . . . . 67 VAL HG1 . 11181 1 765 . 1 1 67 67 VAL HG13 H 1 0.361 0.030 . 1 . . . . 67 VAL HG1 . 11181 1 766 . 1 1 67 67 VAL HG21 H 1 0.339 0.030 . 1 . . . . 67 VAL HG2 . 11181 1 767 . 1 1 67 67 VAL HG22 H 1 0.339 0.030 . 1 . . . . 67 VAL HG2 . 11181 1 768 . 1 1 67 67 VAL HG23 H 1 0.339 0.030 . 1 . . . . 67 VAL HG2 . 11181 1 769 . 1 1 67 67 VAL C C 13 173.249 0.300 . 1 . . . . 67 VAL C . 11181 1 770 . 1 1 67 67 VAL CA C 13 58.094 0.300 . 1 . . . . 67 VAL CA . 11181 1 771 . 1 1 67 67 VAL CB C 13 32.701 0.300 . 1 . . . . 67 VAL CB . 11181 1 772 . 1 1 67 67 VAL CG1 C 13 18.244 0.300 . 2 . . . . 67 VAL CG1 . 11181 1 773 . 1 1 67 67 VAL CG2 C 13 19.347 0.300 . 2 . . . . 67 VAL CG2 . 11181 1 774 . 1 1 67 67 VAL N N 15 118.031 0.300 . 1 . . . . 67 VAL N . 11181 1 775 . 1 1 68 68 LEU H H 1 9.122 0.030 . 1 . . . . 68 LEU H . 11181 1 776 . 1 1 68 68 LEU HA H 1 4.705 0.030 . 1 . . . . 68 LEU HA . 11181 1 777 . 1 1 68 68 LEU HB2 H 1 1.601 0.030 . 1 . . . . 68 LEU HB2 . 11181 1 778 . 1 1 68 68 LEU HB3 H 1 1.601 0.030 . 1 . . . . 68 LEU HB3 . 11181 1 779 . 1 1 68 68 LEU HD11 H 1 0.863 0.030 . 1 . . . . 68 LEU HD1 . 11181 1 780 . 1 1 68 68 LEU HD12 H 1 0.863 0.030 . 1 . . . . 68 LEU HD1 . 11181 1 781 . 1 1 68 68 LEU HD13 H 1 0.863 0.030 . 1 . . . . 68 LEU HD1 . 11181 1 782 . 1 1 68 68 LEU HD21 H 1 0.803 0.030 . 1 . . . . 68 LEU HD2 . 11181 1 783 . 1 1 68 68 LEU HD22 H 1 0.803 0.030 . 1 . . . . 68 LEU HD2 . 11181 1 784 . 1 1 68 68 LEU HD23 H 1 0.803 0.030 . 1 . . . . 68 LEU HD2 . 11181 1 785 . 1 1 68 68 LEU HG H 1 1.545 0.030 . 1 . . . . 68 LEU HG . 11181 1 786 . 1 1 68 68 LEU C C 13 172.606 0.300 . 1 . . . . 68 LEU C . 11181 1 787 . 1 1 68 68 LEU CA C 13 51.301 0.300 . 1 . . . . 68 LEU CA . 11181 1 788 . 1 1 68 68 LEU CB C 13 42.804 0.300 . 1 . . . . 68 LEU CB . 11181 1 789 . 1 1 68 68 LEU CD1 C 13 22.783 0.300 . 2 . . . . 68 LEU CD1 . 11181 1 790 . 1 1 68 68 LEU CD2 C 13 23.357 0.300 . 2 . . . . 68 LEU CD2 . 11181 1 791 . 1 1 68 68 LEU CG C 13 24.948 0.300 . 1 . . . . 68 LEU CG . 11181 1 792 . 1 1 68 68 LEU N N 15 130.054 0.300 . 1 . . . . 68 LEU N . 11181 1 793 . 1 1 69 69 ASN H H 1 8.784 0.030 . 1 . . . . 69 ASN H . 11181 1 794 . 1 1 69 69 ASN HA H 1 5.264 0.030 . 1 . . . . 69 ASN HA . 11181 1 795 . 1 1 69 69 ASN HB2 H 1 2.593 0.030 . 2 . . . . 69 ASN HB2 . 11181 1 796 . 1 1 69 69 ASN HB3 H 1 2.642 0.030 . 2 . . . . 69 ASN HB3 . 11181 1 797 . 1 1 69 69 ASN HD21 H 1 6.651 0.030 . 2 . . . . 69 ASN HD21 . 11181 1 798 . 1 1 69 69 ASN HD22 H 1 7.377 0.030 . 2 . . . . 69 ASN HD22 . 11181 1 799 . 1 1 69 69 ASN C C 13 172.231 0.300 . 1 . . . . 69 ASN C . 11181 1 800 . 1 1 69 69 ASN CA C 13 50.598 0.300 . 1 . . . . 69 ASN CA . 11181 1 801 . 1 1 69 69 ASN CB C 13 38.293 0.300 . 1 . . . . 69 ASN CB . 11181 1 802 . 1 1 69 69 ASN N N 15 124.026 0.300 . 1 . . . . 69 ASN N . 11181 1 803 . 1 1 69 69 ASN ND2 N 15 111.776 0.300 . 1 . . . . 69 ASN ND2 . 11181 1 804 . 1 1 70 70 THR H H 1 8.864 0.030 . 1 . . . . 70 THR H . 11181 1 805 . 1 1 70 70 THR HA H 1 4.975 0.030 . 1 . . . . 70 THR HA . 11181 1 806 . 1 1 70 70 THR HB H 1 4.313 0.030 . 1 . . . . 70 THR HB . 11181 1 807 . 1 1 70 70 THR HG21 H 1 1.508 0.030 . 1 . . . . 70 THR HG2 . 11181 1 808 . 1 1 70 70 THR HG22 H 1 1.508 0.030 . 1 . . . . 70 THR HG2 . 11181 1 809 . 1 1 70 70 THR HG23 H 1 1.508 0.030 . 1 . . . . 70 THR HG2 . 11181 1 810 . 1 1 70 70 THR C C 13 169.639 0.300 . 1 . . . . 70 THR C . 11181 1 811 . 1 1 70 70 THR CA C 13 57.140 0.300 . 1 . . . . 70 THR CA . 11181 1 812 . 1 1 70 70 THR CB C 13 68.075 0.300 . 1 . . . . 70 THR CB . 11181 1 813 . 1 1 70 70 THR CG2 C 13 17.700 0.300 . 1 . . . . 70 THR CG2 . 11181 1 814 . 1 1 70 70 THR N N 15 116.028 0.300 . 1 . . . . 70 THR N . 11181 1 815 . 1 1 71 71 ASN H H 1 9.044 0.030 . 1 . . . . 71 ASN H . 11181 1 816 . 1 1 71 71 ASN HA H 1 5.089 0.030 . 1 . . . . 71 ASN HA . 11181 1 817 . 1 1 71 71 ASN HB2 H 1 2.909 0.030 . 2 . . . . 71 ASN HB2 . 11181 1 818 . 1 1 71 71 ASN HB3 H 1 3.026 0.030 . 2 . . . . 71 ASN HB3 . 11181 1 819 . 1 1 71 71 ASN HD21 H 1 6.812 0.030 . 2 . . . . 71 ASN HD21 . 11181 1 820 . 1 1 71 71 ASN HD22 H 1 7.569 0.030 . 2 . . . . 71 ASN HD22 . 11181 1 821 . 1 1 71 71 ASN C C 13 172.569 0.300 . 1 . . . . 71 ASN C . 11181 1 822 . 1 1 71 71 ASN CA C 13 50.950 0.300 . 1 . . . . 71 ASN CA . 11181 1 823 . 1 1 71 71 ASN CB C 13 36.384 0.300 . 1 . . . . 71 ASN CB . 11181 1 824 . 1 1 71 71 ASN ND2 N 15 110.925 0.300 . 1 . . . . 71 ASN ND2 . 11181 1 825 . 1 1 72 72 LYS H H 1 8.222 0.030 . 1 . . . . 72 LYS H . 11181 1 826 . 1 1 72 72 LYS HA H 1 4.730 0.030 . 1 . . . . 72 LYS HA . 11181 1 827 . 1 1 72 72 LYS HB2 H 1 1.747 0.030 . 2 . . . . 72 LYS HB2 . 11181 1 828 . 1 1 72 72 LYS HB3 H 1 1.858 0.030 . 2 . . . . 72 LYS HB3 . 11181 1 829 . 1 1 72 72 LYS HD2 H 1 1.533 0.030 . 1 . . . . 72 LYS HD2 . 11181 1 830 . 1 1 72 72 LYS HD3 H 1 1.533 0.030 . 1 . . . . 72 LYS HD3 . 11181 1 831 . 1 1 72 72 LYS HE2 H 1 2.884 0.030 . 1 . . . . 72 LYS HE2 . 11181 1 832 . 1 1 72 72 LYS HE3 H 1 2.884 0.030 . 1 . . . . 72 LYS HE3 . 11181 1 833 . 1 1 72 72 LYS HG2 H 1 1.377 0.030 . 1 . . . . 72 LYS HG2 . 11181 1 834 . 1 1 72 72 LYS HG3 H 1 1.377 0.030 . 1 . . . . 72 LYS HG3 . 11181 1 835 . 1 1 72 72 LYS C C 13 172.556 0.300 . 1 . . . . 72 LYS C . 11181 1 836 . 1 1 72 72 LYS CA C 13 52.269 0.300 . 1 . . . . 72 LYS CA . 11181 1 837 . 1 1 72 72 LYS CB C 13 32.524 0.300 . 1 . . . . 72 LYS CB . 11181 1 838 . 1 1 72 72 LYS CD C 13 26.834 0.300 . 1 . . . . 72 LYS CD . 11181 1 839 . 1 1 72 72 LYS CE C 13 39.791 0.300 . 1 . . . . 72 LYS CE . 11181 1 840 . 1 1 72 72 LYS CG C 13 21.645 0.300 . 1 . . . . 72 LYS CG . 11181 1 841 . 1 1 72 72 LYS N N 15 119.775 0.300 . 1 . . . . 72 LYS N . 11181 1 842 . 1 1 73 73 THR H H 1 7.406 0.030 . 1 . . . . 73 THR H . 11181 1 843 . 1 1 73 73 THR HA H 1 3.125 0.030 . 1 . . . . 73 THR HA . 11181 1 844 . 1 1 73 73 THR HB H 1 3.753 0.030 . 1 . . . . 73 THR HB . 11181 1 845 . 1 1 73 73 THR HG21 H 1 0.665 0.030 . 1 . . . . 73 THR HG2 . 11181 1 846 . 1 1 73 73 THR HG22 H 1 0.665 0.030 . 1 . . . . 73 THR HG2 . 11181 1 847 . 1 1 73 73 THR HG23 H 1 0.665 0.030 . 1 . . . . 73 THR HG2 . 11181 1 848 . 1 1 73 73 THR C C 13 169.573 0.300 . 1 . . . . 73 THR C . 11181 1 849 . 1 1 73 73 THR CA C 13 56.933 0.300 . 1 . . . . 73 THR CA . 11181 1 850 . 1 1 73 73 THR CB C 13 63.439 0.300 . 1 . . . . 73 THR CB . 11181 1 851 . 1 1 73 73 THR CG2 C 13 18.639 0.300 . 1 . . . . 73 THR CG2 . 11181 1 852 . 1 1 73 73 THR N N 15 108.265 0.300 . 1 . . . . 73 THR N . 11181 1 853 . 1 1 74 74 SER H H 1 6.546 0.030 . 1 . . . . 74 SER H . 11181 1 854 . 1 1 74 74 SER HA H 1 4.174 0.030 . 1 . . . . 74 SER HA . 11181 1 855 . 1 1 74 74 SER HB2 H 1 3.429 0.030 . 2 . . . . 74 SER HB2 . 11181 1 856 . 1 1 74 74 SER HB3 H 1 3.575 0.030 . 2 . . . . 74 SER HB3 . 11181 1 857 . 1 1 74 74 SER C C 13 170.513 0.300 . 1 . . . . 74 SER C . 11181 1 858 . 1 1 74 74 SER CA C 13 53.944 0.300 . 1 . . . . 74 SER CA . 11181 1 859 . 1 1 74 74 SER CB C 13 63.514 0.300 . 1 . . . . 74 SER CB . 11181 1 860 . 1 1 74 74 SER N N 15 110.302 0.300 . 1 . . . . 74 SER N . 11181 1 861 . 1 1 75 75 ALA H H 1 8.344 0.030 . 1 . . . . 75 ALA H . 11181 1 862 . 1 1 75 75 ALA HA H 1 4.540 0.030 . 1 . . . . 75 ALA HA . 11181 1 863 . 1 1 75 75 ALA HB1 H 1 1.403 0.030 . 1 . . . . 75 ALA HB . 11181 1 864 . 1 1 75 75 ALA HB2 H 1 1.403 0.030 . 1 . . . . 75 ALA HB . 11181 1 865 . 1 1 75 75 ALA HB3 H 1 1.403 0.030 . 1 . . . . 75 ALA HB . 11181 1 866 . 1 1 75 75 ALA C C 13 172.219 0.300 . 1 . . . . 75 ALA C . 11181 1 867 . 1 1 75 75 ALA CA C 13 49.172 0.300 . 1 . . . . 75 ALA CA . 11181 1 868 . 1 1 75 75 ALA CB C 13 21.105 0.300 . 1 . . . . 75 ALA CB . 11181 1 869 . 1 1 75 75 ALA N N 15 119.247 0.300 . 1 . . . . 75 ALA N . 11181 1 870 . 1 1 76 76 GLU H H 1 8.085 0.030 . 1 . . . . 76 GLU H . 11181 1 871 . 1 1 76 76 GLU HA H 1 5.379 0.030 . 1 . . . . 76 GLU HA . 11181 1 872 . 1 1 76 76 GLU HB2 H 1 1.763 0.030 . 1 . . . . 76 GLU HB2 . 11181 1 873 . 1 1 76 76 GLU HB3 H 1 1.763 0.030 . 1 . . . . 76 GLU HB3 . 11181 1 874 . 1 1 76 76 GLU HG2 H 1 2.032 0.030 . 1 . . . . 76 GLU HG2 . 11181 1 875 . 1 1 76 76 GLU HG3 H 1 2.032 0.030 . 1 . . . . 76 GLU HG3 . 11181 1 876 . 1 1 76 76 GLU C C 13 172.108 0.300 . 1 . . . . 76 GLU C . 11181 1 877 . 1 1 76 76 GLU CA C 13 52.041 0.300 . 1 . . . . 76 GLU CA . 11181 1 878 . 1 1 76 76 GLU CB C 13 30.780 0.300 . 1 . . . . 76 GLU CB . 11181 1 879 . 1 1 76 76 GLU CG C 13 33.820 0.300 . 1 . . . . 76 GLU CG . 11181 1 880 . 1 1 76 76 GLU N N 15 117.825 0.300 . 1 . . . . 76 GLU N . 11181 1 881 . 1 1 77 77 LEU H H 1 8.745 0.030 . 1 . . . . 77 LEU H . 11181 1 882 . 1 1 77 77 LEU HA H 1 4.548 0.030 . 1 . . . . 77 LEU HA . 11181 1 883 . 1 1 77 77 LEU HB2 H 1 1.083 0.030 . 2 . . . . 77 LEU HB2 . 11181 1 884 . 1 1 77 77 LEU HB3 H 1 1.118 0.030 . 2 . . . . 77 LEU HB3 . 11181 1 885 . 1 1 77 77 LEU HD11 H 1 -0.103 0.030 . 1 . . . . 77 LEU HD1 . 11181 1 886 . 1 1 77 77 LEU HD12 H 1 -0.103 0.030 . 1 . . . . 77 LEU HD1 . 11181 1 887 . 1 1 77 77 LEU HD13 H 1 -0.103 0.030 . 1 . . . . 77 LEU HD1 . 11181 1 888 . 1 1 77 77 LEU HD21 H 1 -0.105 0.030 . 1 . . . . 77 LEU HD2 . 11181 1 889 . 1 1 77 77 LEU HD22 H 1 -0.105 0.030 . 1 . . . . 77 LEU HD2 . 11181 1 890 . 1 1 77 77 LEU HD23 H 1 -0.105 0.030 . 1 . . . . 77 LEU HD2 . 11181 1 891 . 1 1 77 77 LEU HG H 1 0.980 0.030 . 1 . . . . 77 LEU HG . 11181 1 892 . 1 1 77 77 LEU C C 13 173.976 0.300 . 1 . . . . 77 LEU C . 11181 1 893 . 1 1 77 77 LEU CA C 13 50.536 0.300 . 1 . . . . 77 LEU CA . 11181 1 894 . 1 1 77 77 LEU CB C 13 43.748 0.300 . 1 . . . . 77 LEU CB . 11181 1 895 . 1 1 77 77 LEU CD1 C 13 23.246 0.300 . 2 . . . . 77 LEU CD1 . 11181 1 896 . 1 1 77 77 LEU CD2 C 13 20.790 0.300 . 2 . . . . 77 LEU CD2 . 11181 1 897 . 1 1 77 77 LEU CG C 13 24.553 0.300 . 1 . . . . 77 LEU CG . 11181 1 898 . 1 1 77 77 LEU N N 15 120.629 0.300 . 1 . . . . 77 LEU N . 11181 1 899 . 1 1 78 78 VAL H H 1 8.109 0.030 . 1 . . . . 78 VAL H . 11181 1 900 . 1 1 78 78 VAL HA H 1 4.137 0.030 . 1 . . . . 78 VAL HA . 11181 1 901 . 1 1 78 78 VAL HB H 1 2.109 0.030 . 1 . . . . 78 VAL HB . 11181 1 902 . 1 1 78 78 VAL HG11 H 1 0.960 0.030 . 1 . . . . 78 VAL HG1 . 11181 1 903 . 1 1 78 78 VAL HG12 H 1 0.960 0.030 . 1 . . . . 78 VAL HG1 . 11181 1 904 . 1 1 78 78 VAL HG13 H 1 0.960 0.030 . 1 . . . . 78 VAL HG1 . 11181 1 905 . 1 1 78 78 VAL HG21 H 1 0.915 0.030 . 1 . . . . 78 VAL HG2 . 11181 1 906 . 1 1 78 78 VAL HG22 H 1 0.915 0.030 . 1 . . . . 78 VAL HG2 . 11181 1 907 . 1 1 78 78 VAL HG23 H 1 0.915 0.030 . 1 . . . . 78 VAL HG2 . 11181 1 908 . 1 1 78 78 VAL C C 13 174.366 0.300 . 1 . . . . 78 VAL C . 11181 1 909 . 1 1 78 78 VAL CA C 13 60.097 0.300 . 1 . . . . 78 VAL CA . 11181 1 910 . 1 1 78 78 VAL CB C 13 29.737 0.300 . 1 . . . . 78 VAL CB . 11181 1 911 . 1 1 78 78 VAL CG1 C 13 19.069 0.300 . 2 . . . . 78 VAL CG1 . 11181 1 912 . 1 1 78 78 VAL CG2 C 13 17.946 0.300 . 2 . . . . 78 VAL CG2 . 11181 1 913 . 1 1 78 78 VAL N N 15 117.702 0.300 . 1 . . . . 78 VAL N . 11181 1 914 . 1 1 79 79 LEU H H 1 8.018 0.030 . 1 . . . . 79 LEU H . 11181 1 915 . 1 1 79 79 LEU HA H 1 4.116 0.030 . 1 . . . . 79 LEU HA . 11181 1 916 . 1 1 79 79 LEU HB2 H 1 1.026 0.030 . 2 . . . . 79 LEU HB2 . 11181 1 917 . 1 1 79 79 LEU HB3 H 1 1.364 0.030 . 2 . . . . 79 LEU HB3 . 11181 1 918 . 1 1 79 79 LEU HD11 H 1 0.562 0.030 . 1 . . . . 79 LEU HD1 . 11181 1 919 . 1 1 79 79 LEU HD12 H 1 0.562 0.030 . 1 . . . . 79 LEU HD1 . 11181 1 920 . 1 1 79 79 LEU HD13 H 1 0.562 0.030 . 1 . . . . 79 LEU HD1 . 11181 1 921 . 1 1 79 79 LEU HD21 H 1 0.602 0.030 . 1 . . . . 79 LEU HD2 . 11181 1 922 . 1 1 79 79 LEU HD22 H 1 0.602 0.030 . 1 . . . . 79 LEU HD2 . 11181 1 923 . 1 1 79 79 LEU HD23 H 1 0.602 0.030 . 1 . . . . 79 LEU HD2 . 11181 1 924 . 1 1 79 79 LEU HG H 1 1.159 0.030 . 1 . . . . 79 LEU HG . 11181 1 925 . 1 1 79 79 LEU C C 13 172.813 0.300 . 1 . . . . 79 LEU C . 11181 1 926 . 1 1 79 79 LEU CA C 13 51.196 0.300 . 1 . . . . 79 LEU CA . 11181 1 927 . 1 1 79 79 LEU CB C 13 39.794 0.300 . 1 . . . . 79 LEU CB . 11181 1 928 . 1 1 79 79 LEU CD1 C 13 21.108 0.300 . 2 . . . . 79 LEU CD1 . 11181 1 929 . 1 1 79 79 LEU CD2 C 13 23.050 0.300 . 2 . . . . 79 LEU CD2 . 11181 1 930 . 1 1 79 79 LEU CG C 13 24.222 0.300 . 1 . . . . 79 LEU CG . 11181 1 931 . 1 1 79 79 LEU N N 15 125.059 0.300 . 1 . . . . 79 LEU N . 11181 1 932 . 1 1 80 80 PRO HA H 1 4.266 0.030 . 1 . . . . 80 PRO HA . 11181 1 933 . 1 1 80 80 PRO HB2 H 1 1.871 0.030 . 1 . . . . 80 PRO HB2 . 11181 1 934 . 1 1 80 80 PRO HB3 H 1 1.871 0.030 . 1 . . . . 80 PRO HB3 . 11181 1 935 . 1 1 80 80 PRO HD2 H 1 3.324 0.030 . 2 . . . . 80 PRO HD2 . 11181 1 936 . 1 1 80 80 PRO HD3 H 1 3.475 0.030 . 2 . . . . 80 PRO HD3 . 11181 1 937 . 1 1 80 80 PRO HG2 H 1 1.983 0.030 . 1 . . . . 80 PRO HG2 . 11181 1 938 . 1 1 80 80 PRO HG3 H 1 1.983 0.030 . 1 . . . . 80 PRO HG3 . 11181 1 939 . 1 1 80 80 PRO C C 13 173.127 0.300 . 1 . . . . 80 PRO C . 11181 1 940 . 1 1 80 80 PRO CA C 13 60.071 0.300 . 1 . . . . 80 PRO CA . 11181 1 941 . 1 1 80 80 PRO CB C 13 27.241 0.300 . 1 . . . . 80 PRO CB . 11181 1 942 . 1 1 80 80 PRO CD C 13 47.930 0.300 . 1 . . . . 80 PRO CD . 11181 1 943 . 1 1 80 80 PRO CG C 13 24.900 0.300 . 1 . . . . 80 PRO CG . 11181 1 944 . 1 1 81 81 ILE H H 1 7.620 0.030 . 1 . . . . 81 ILE H . 11181 1 945 . 1 1 81 81 ILE HA H 1 4.154 0.030 . 1 . . . . 81 ILE HA . 11181 1 946 . 1 1 81 81 ILE HB H 1 1.825 0.030 . 1 . . . . 81 ILE HB . 11181 1 947 . 1 1 81 81 ILE HD11 H 1 0.716 0.030 . 1 . . . . 81 ILE HD1 . 11181 1 948 . 1 1 81 81 ILE HD12 H 1 0.716 0.030 . 1 . . . . 81 ILE HD1 . 11181 1 949 . 1 1 81 81 ILE HD13 H 1 0.716 0.030 . 1 . . . . 81 ILE HD1 . 11181 1 950 . 1 1 81 81 ILE HG12 H 1 1.100 0.030 . 2 . . . . 81 ILE HG12 . 11181 1 951 . 1 1 81 81 ILE HG13 H 1 1.306 0.030 . 2 . . . . 81 ILE HG13 . 11181 1 952 . 1 1 81 81 ILE HG21 H 1 0.775 0.030 . 1 . . . . 81 ILE HG2 . 11181 1 953 . 1 1 81 81 ILE HG22 H 1 0.775 0.030 . 1 . . . . 81 ILE HG2 . 11181 1 954 . 1 1 81 81 ILE HG23 H 1 0.775 0.030 . 1 . . . . 81 ILE HG2 . 11181 1 955 . 1 1 81 81 ILE C C 13 174.606 0.300 . 1 . . . . 81 ILE C . 11181 1 956 . 1 1 81 81 ILE CA C 13 59.407 0.300 . 1 . . . . 81 ILE CA . 11181 1 957 . 1 1 81 81 ILE CB C 13 36.211 0.300 . 1 . . . . 81 ILE CB . 11181 1 958 . 1 1 81 81 ILE CD1 C 13 10.079 0.300 . 1 . . . . 81 ILE CD1 . 11181 1 959 . 1 1 81 81 ILE CG1 C 13 24.780 0.300 . 1 . . . . 81 ILE CG1 . 11181 1 960 . 1 1 81 81 ILE CG2 C 13 15.409 0.300 . 1 . . . . 81 ILE CG2 . 11181 1 961 . 1 1 81 81 ILE N N 15 120.610 0.300 . 1 . . . . 81 ILE N . 11181 1 962 . 1 1 82 82 LYS H H 1 8.259 0.030 . 1 . . . . 82 LYS H . 11181 1 963 . 1 1 82 82 LYS HA H 1 4.203 0.030 . 1 . . . . 82 LYS HA . 11181 1 964 . 1 1 82 82 LYS HB2 H 1 1.785 0.030 . 2 . . . . 82 LYS HB2 . 11181 1 965 . 1 1 82 82 LYS HB3 H 1 1.737 0.030 . 2 . . . . 82 LYS HB3 . 11181 1 966 . 1 1 82 82 LYS HD2 H 1 1.590 0.030 . 1 . . . . 82 LYS HD2 . 11181 1 967 . 1 1 82 82 LYS HD3 H 1 1.590 0.030 . 1 . . . . 82 LYS HD3 . 11181 1 968 . 1 1 82 82 LYS HE2 H 1 2.889 0.030 . 1 . . . . 82 LYS HE2 . 11181 1 969 . 1 1 82 82 LYS HE3 H 1 2.889 0.030 . 1 . . . . 82 LYS HE3 . 11181 1 970 . 1 1 82 82 LYS HG2 H 1 1.304 0.030 . 2 . . . . 82 LYS HG2 . 11181 1 971 . 1 1 82 82 LYS HG3 H 1 1.390 0.030 . 2 . . . . 82 LYS HG3 . 11181 1 972 . 1 1 82 82 LYS CA C 13 54.968 0.300 . 1 . . . . 82 LYS CA . 11181 1 973 . 1 1 82 82 LYS CB C 13 31.100 0.300 . 1 . . . . 82 LYS CB . 11181 1 974 . 1 1 82 82 LYS CD C 13 26.754 0.300 . 1 . . . . 82 LYS CD . 11181 1 975 . 1 1 82 82 LYS CE C 13 39.794 0.300 . 1 . . . . 82 LYS CE . 11181 1 976 . 1 1 82 82 LYS CG C 13 22.918 0.300 . 1 . . . . 82 LYS CG . 11181 1 977 . 1 1 83 83 GLU H H 1 7.666 0.030 . 1 . . . . 83 GLU H . 11181 1 978 . 1 1 83 83 GLU HA H 1 4.359 0.030 . 1 . . . . 83 GLU HA . 11181 1 979 . 1 1 83 83 GLU HB2 H 1 1.708 0.030 . 2 . . . . 83 GLU HB2 . 11181 1 980 . 1 1 83 83 GLU HB3 H 1 2.127 0.030 . 2 . . . . 83 GLU HB3 . 11181 1 981 . 1 1 83 83 GLU HG2 H 1 2.113 0.030 . 2 . . . . 83 GLU HG2 . 11181 1 982 . 1 1 83 83 GLU HG3 H 1 2.215 0.030 . 2 . . . . 83 GLU HG3 . 11181 1 983 . 1 1 83 83 GLU C C 13 170.966 0.300 . 1 . . . . 83 GLU C . 11181 1 984 . 1 1 83 83 GLU CA C 13 52.490 0.300 . 1 . . . . 83 GLU CA . 11181 1 985 . 1 1 83 83 GLU CB C 13 32.673 0.300 . 1 . . . . 83 GLU CB . 11181 1 986 . 1 1 83 83 GLU CG C 13 34.479 0.300 . 1 . . . . 83 GLU CG . 11181 1 987 . 1 1 84 84 ASP H H 1 8.122 0.030 . 1 . . . . 84 ASP H . 11181 1 988 . 1 1 84 84 ASP HA H 1 4.432 0.030 . 1 . . . . 84 ASP HA . 11181 1 989 . 1 1 84 84 ASP HB2 H 1 2.354 0.030 . 2 . . . . 84 ASP HB2 . 11181 1 990 . 1 1 84 84 ASP HB3 H 1 2.469 0.030 . 2 . . . . 84 ASP HB3 . 11181 1 991 . 1 1 84 84 ASP C C 13 174.317 0.300 . 1 . . . . 84 ASP C . 11181 1 992 . 1 1 84 84 ASP CA C 13 52.024 0.300 . 1 . . . . 84 ASP CA . 11181 1 993 . 1 1 84 84 ASP CB C 13 39.230 0.300 . 1 . . . . 84 ASP CB . 11181 1 994 . 1 1 84 84 ASP N N 15 119.367 0.300 . 1 . . . . 84 ASP N . 11181 1 995 . 1 1 85 85 TYR H H 1 8.227 0.030 . 1 . . . . 85 TYR H . 11181 1 996 . 1 1 85 85 TYR HA H 1 5.420 0.030 . 1 . . . . 85 TYR HA . 11181 1 997 . 1 1 85 85 TYR HB2 H 1 2.560 0.030 . 2 . . . . 85 TYR HB2 . 11181 1 998 . 1 1 85 85 TYR HB3 H 1 2.706 0.030 . 2 . . . . 85 TYR HB3 . 11181 1 999 . 1 1 85 85 TYR HD1 H 1 6.750 0.030 . 1 . . . . 85 TYR HD1 . 11181 1 1000 . 1 1 85 85 TYR HD2 H 1 6.750 0.030 . 1 . . . . 85 TYR HD2 . 11181 1 1001 . 1 1 85 85 TYR HE1 H 1 6.766 0.030 . 1 . . . . 85 TYR HE1 . 11181 1 1002 . 1 1 85 85 TYR HE2 H 1 6.766 0.030 . 1 . . . . 85 TYR HE2 . 11181 1 1003 . 1 1 85 85 TYR C C 13 173.977 0.300 . 1 . . . . 85 TYR C . 11181 1 1004 . 1 1 85 85 TYR CA C 13 52.850 0.300 . 1 . . . . 85 TYR CA . 11181 1 1005 . 1 1 85 85 TYR CB C 13 39.773 0.300 . 1 . . . . 85 TYR CB . 11181 1 1006 . 1 1 85 85 TYR CD1 C 13 128.422 0.300 . 1 . . . . 85 TYR CD1 . 11181 1 1007 . 1 1 85 85 TYR CD2 C 13 128.422 0.300 . 1 . . . . 85 TYR CD2 . 11181 1 1008 . 1 1 85 85 TYR CE1 C 13 115.760 0.300 . 1 . . . . 85 TYR CE1 . 11181 1 1009 . 1 1 85 85 TYR CE2 C 13 115.760 0.300 . 1 . . . . 85 TYR CE2 . 11181 1 1010 . 1 1 85 85 TYR N N 15 115.492 0.300 . 1 . . . . 85 TYR N . 11181 1 1011 . 1 1 86 86 ILE H H 1 8.821 0.030 . 1 . . . . 86 ILE H . 11181 1 1012 . 1 1 86 86 ILE HA H 1 4.677 0.030 . 1 . . . . 86 ILE HA . 11181 1 1013 . 1 1 86 86 ILE HB H 1 1.461 0.030 . 1 . . . . 86 ILE HB . 11181 1 1014 . 1 1 86 86 ILE HD11 H 1 0.631 0.030 . 1 . . . . 86 ILE HD1 . 11181 1 1015 . 1 1 86 86 ILE HD12 H 1 0.631 0.030 . 1 . . . . 86 ILE HD1 . 11181 1 1016 . 1 1 86 86 ILE HD13 H 1 0.631 0.030 . 1 . . . . 86 ILE HD1 . 11181 1 1017 . 1 1 86 86 ILE HG12 H 1 0.982 0.030 . 2 . . . . 86 ILE HG12 . 11181 1 1018 . 1 1 86 86 ILE HG13 H 1 1.235 0.030 . 2 . . . . 86 ILE HG13 . 11181 1 1019 . 1 1 86 86 ILE HG21 H 1 0.637 0.030 . 1 . . . . 86 ILE HG2 . 11181 1 1020 . 1 1 86 86 ILE HG22 H 1 0.637 0.030 . 1 . . . . 86 ILE HG2 . 11181 1 1021 . 1 1 86 86 ILE HG23 H 1 0.637 0.030 . 1 . . . . 86 ILE HG2 . 11181 1 1022 . 1 1 86 86 ILE C C 13 174.147 0.300 . 1 . . . . 86 ILE C . 11181 1 1023 . 1 1 86 86 ILE CA C 13 58.726 0.300 . 1 . . . . 86 ILE CA . 11181 1 1024 . 1 1 86 86 ILE CB C 13 37.114 0.300 . 1 . . . . 86 ILE CB . 11181 1 1025 . 1 1 86 86 ILE CD1 C 13 10.434 0.300 . 1 . . . . 86 ILE CD1 . 11181 1 1026 . 1 1 86 86 ILE CG1 C 13 25.554 0.300 . 1 . . . . 86 ILE CG1 . 11181 1 1027 . 1 1 86 86 ILE CG2 C 13 16.052 0.300 . 1 . . . . 86 ILE CG2 . 11181 1 1028 . 1 1 86 86 ILE N N 15 119.959 0.300 . 1 . . . . 86 ILE N . 11181 1 1029 . 1 1 87 87 ILE H H 1 9.040 0.030 . 1 . . . . 87 ILE H . 11181 1 1030 . 1 1 87 87 ILE HA H 1 5.273 0.030 . 1 . . . . 87 ILE HA . 11181 1 1031 . 1 1 87 87 ILE HB H 1 1.479 0.030 . 1 . . . . 87 ILE HB . 11181 1 1032 . 1 1 87 87 ILE HD11 H 1 0.411 0.030 . 1 . . . . 87 ILE HD1 . 11181 1 1033 . 1 1 87 87 ILE HD12 H 1 0.411 0.030 . 1 . . . . 87 ILE HD1 . 11181 1 1034 . 1 1 87 87 ILE HD13 H 1 0.411 0.030 . 1 . . . . 87 ILE HD1 . 11181 1 1035 . 1 1 87 87 ILE HG12 H 1 0.851 0.030 . 2 . . . . 87 ILE HG12 . 11181 1 1036 . 1 1 87 87 ILE HG13 H 1 1.228 0.030 . 2 . . . . 87 ILE HG13 . 11181 1 1037 . 1 1 87 87 ILE HG21 H 1 0.543 0.030 . 1 . . . . 87 ILE HG2 . 11181 1 1038 . 1 1 87 87 ILE HG22 H 1 0.543 0.030 . 1 . . . . 87 ILE HG2 . 11181 1 1039 . 1 1 87 87 ILE HG23 H 1 0.543 0.030 . 1 . . . . 87 ILE HG2 . 11181 1 1040 . 1 1 87 87 ILE C C 13 172.279 0.300 . 1 . . . . 87 ILE C . 11181 1 1041 . 1 1 87 87 ILE CA C 13 56.843 0.300 . 1 . . . . 87 ILE CA . 11181 1 1042 . 1 1 87 87 ILE CB C 13 39.979 0.300 . 1 . . . . 87 ILE CB . 11181 1 1043 . 1 1 87 87 ILE CD1 C 13 12.634 0.300 . 1 . . . . 87 ILE CD1 . 11181 1 1044 . 1 1 87 87 ILE CG1 C 13 25.964 0.300 . 1 . . . . 87 ILE CG1 . 11181 1 1045 . 1 1 87 87 ILE CG2 C 13 15.925 0.300 . 1 . . . . 87 ILE CG2 . 11181 1 1046 . 1 1 87 87 ILE N N 15 126.604 0.300 . 1 . . . . 87 ILE N . 11181 1 1047 . 1 1 88 88 GLU H H 1 8.669 0.030 . 1 . . . . 88 GLU H . 11181 1 1048 . 1 1 88 88 GLU HA H 1 4.338 0.030 . 1 . . . . 88 GLU HA . 11181 1 1049 . 1 1 88 88 GLU HB2 H 1 1.842 0.030 . 2 . . . . 88 GLU HB2 . 11181 1 1050 . 1 1 88 88 GLU HB3 H 1 1.931 0.030 . 2 . . . . 88 GLU HB3 . 11181 1 1051 . 1 1 88 88 GLU HG2 H 1 1.944 0.030 . 2 . . . . 88 GLU HG2 . 11181 1 1052 . 1 1 88 88 GLU HG3 H 1 2.074 0.030 . 2 . . . . 88 GLU HG3 . 11181 1 1053 . 1 1 88 88 GLU C C 13 170.969 0.300 . 1 . . . . 88 GLU C . 11181 1 1054 . 1 1 88 88 GLU CA C 13 53.166 0.300 . 1 . . . . 88 GLU CA . 11181 1 1055 . 1 1 88 88 GLU CB C 13 32.231 0.300 . 1 . . . . 88 GLU CB . 11181 1 1056 . 1 1 88 88 GLU CG C 13 34.131 0.300 . 1 . . . . 88 GLU CG . 11181 1 1057 . 1 1 88 88 GLU N N 15 121.315 0.300 . 1 . . . . 88 GLU N . 11181 1 1058 . 1 1 89 89 VAL H H 1 8.499 0.030 . 1 . . . . 89 VAL H . 11181 1 1059 . 1 1 89 89 VAL HA H 1 4.916 0.030 . 1 . . . . 89 VAL HA . 11181 1 1060 . 1 1 89 89 VAL HB H 1 1.003 0.030 . 1 . . . . 89 VAL HB . 11181 1 1061 . 1 1 89 89 VAL HG11 H 1 -0.519 0.030 . 1 . . . . 89 VAL HG1 . 11181 1 1062 . 1 1 89 89 VAL HG12 H 1 -0.519 0.030 . 1 . . . . 89 VAL HG1 . 11181 1 1063 . 1 1 89 89 VAL HG13 H 1 -0.519 0.030 . 1 . . . . 89 VAL HG1 . 11181 1 1064 . 1 1 89 89 VAL HG21 H 1 0.097 0.030 . 1 . . . . 89 VAL HG2 . 11181 1 1065 . 1 1 89 89 VAL HG22 H 1 0.097 0.030 . 1 . . . . 89 VAL HG2 . 11181 1 1066 . 1 1 89 89 VAL HG23 H 1 0.097 0.030 . 1 . . . . 89 VAL HG2 . 11181 1 1067 . 1 1 89 89 VAL C C 13 172.606 0.300 . 1 . . . . 89 VAL C . 11181 1 1068 . 1 1 89 89 VAL CA C 13 58.228 0.300 . 1 . . . . 89 VAL CA . 11181 1 1069 . 1 1 89 89 VAL CB C 13 32.290 0.300 . 1 . . . . 89 VAL CB . 11181 1 1070 . 1 1 89 89 VAL CG1 C 13 17.185 0.300 . 2 . . . . 89 VAL CG1 . 11181 1 1071 . 1 1 89 89 VAL CG2 C 13 18.441 0.300 . 2 . . . . 89 VAL CG2 . 11181 1 1072 . 1 1 89 89 VAL N N 15 120.960 0.300 . 1 . . . . 89 VAL N . 11181 1 1073 . 1 1 90 90 LYS H H 1 8.841 0.030 . 1 . . . . 90 LYS H . 11181 1 1074 . 1 1 90 90 LYS HA H 1 4.662 0.030 . 1 . . . . 90 LYS HA . 11181 1 1075 . 1 1 90 90 LYS HB2 H 1 1.397 0.030 . 2 . . . . 90 LYS HB2 . 11181 1 1076 . 1 1 90 90 LYS HB3 H 1 1.802 0.030 . 2 . . . . 90 LYS HB3 . 11181 1 1077 . 1 1 90 90 LYS HD2 H 1 1.411 0.030 . 2 . . . . 90 LYS HD2 . 11181 1 1078 . 1 1 90 90 LYS HD3 H 1 1.788 0.030 . 2 . . . . 90 LYS HD3 . 11181 1 1079 . 1 1 90 90 LYS HE2 H 1 2.267 0.030 . 2 . . . . 90 LYS HE2 . 11181 1 1080 . 1 1 90 90 LYS HE3 H 1 2.544 0.030 . 2 . . . . 90 LYS HE3 . 11181 1 1081 . 1 1 90 90 LYS HG2 H 1 1.140 0.030 . 1 . . . . 90 LYS HG2 . 11181 1 1082 . 1 1 90 90 LYS HG3 H 1 1.140 0.030 . 1 . . . . 90 LYS HG3 . 11181 1 1083 . 1 1 90 90 LYS C C 13 173.237 0.300 . 1 . . . . 90 LYS C . 11181 1 1084 . 1 1 90 90 LYS CA C 13 52.639 0.300 . 1 . . . . 90 LYS CA . 11181 1 1085 . 1 1 90 90 LYS CB C 13 35.662 0.300 . 1 . . . . 90 LYS CB . 11181 1 1086 . 1 1 90 90 LYS CD C 13 27.730 0.300 . 1 . . . . 90 LYS CD . 11181 1 1087 . 1 1 90 90 LYS CE C 13 39.339 0.300 . 1 . . . . 90 LYS CE . 11181 1 1088 . 1 1 90 90 LYS CG C 13 22.735 0.300 . 1 . . . . 90 LYS CG . 11181 1 1089 . 1 1 90 90 LYS N N 15 121.874 0.300 . 1 . . . . 90 LYS N . 11181 1 1090 . 1 1 91 91 ALA H H 1 9.822 0.030 . 1 . . . . 91 ALA H . 11181 1 1091 . 1 1 91 91 ALA HA H 1 4.560 0.030 . 1 . . . . 91 ALA HA . 11181 1 1092 . 1 1 91 91 ALA HB1 H 1 1.272 0.030 . 1 . . . . 91 ALA HB . 11181 1 1093 . 1 1 91 91 ALA HB2 H 1 1.272 0.030 . 1 . . . . 91 ALA HB . 11181 1 1094 . 1 1 91 91 ALA HB3 H 1 1.272 0.030 . 1 . . . . 91 ALA HB . 11181 1 1095 . 1 1 91 91 ALA C C 13 174.001 0.300 . 1 . . . . 91 ALA C . 11181 1 1096 . 1 1 91 91 ALA CA C 13 49.507 0.300 . 1 . . . . 91 ALA CA . 11181 1 1097 . 1 1 91 91 ALA CB C 13 17.611 0.300 . 1 . . . . 91 ALA CB . 11181 1 1098 . 1 1 91 91 ALA N N 15 123.501 0.300 . 1 . . . . 91 ALA N . 11181 1 1099 . 1 1 92 92 THR H H 1 8.467 0.030 . 1 . . . . 92 THR H . 11181 1 1100 . 1 1 92 92 THR HA H 1 4.834 0.030 . 1 . . . . 92 THR HA . 11181 1 1101 . 1 1 92 92 THR HB H 1 3.617 0.030 . 1 . . . . 92 THR HB . 11181 1 1102 . 1 1 92 92 THR HG21 H 1 0.764 0.030 . 1 . . . . 92 THR HG2 . 11181 1 1103 . 1 1 92 92 THR HG22 H 1 0.764 0.030 . 1 . . . . 92 THR HG2 . 11181 1 1104 . 1 1 92 92 THR HG23 H 1 0.764 0.030 . 1 . . . . 92 THR HG2 . 11181 1 1105 . 1 1 92 92 THR C C 13 169.792 0.300 . 1 . . . . 92 THR C . 11181 1 1106 . 1 1 92 92 THR CA C 13 58.238 0.300 . 1 . . . . 92 THR CA . 11181 1 1107 . 1 1 92 92 THR CB C 13 68.458 0.300 . 1 . . . . 92 THR CB . 11181 1 1108 . 1 1 92 92 THR CG2 C 13 17.423 0.300 . 1 . . . . 92 THR CG2 . 11181 1 1109 . 1 1 92 92 THR N N 15 114.932 0.300 . 1 . . . . 92 THR N . 11181 1 1110 . 1 1 93 93 THR H H 1 7.518 0.030 . 1 . . . . 93 THR H . 11181 1 1111 . 1 1 93 93 THR HA H 1 5.047 0.030 . 1 . . . . 93 THR HA . 11181 1 1112 . 1 1 93 93 THR HB H 1 4.097 0.030 . 1 . . . . 93 THR HB . 11181 1 1113 . 1 1 93 93 THR HG21 H 1 0.950 0.030 . 1 . . . . 93 THR HG2 . 11181 1 1114 . 1 1 93 93 THR HG22 H 1 0.950 0.030 . 1 . . . . 93 THR HG2 . 11181 1 1115 . 1 1 93 93 THR HG23 H 1 0.950 0.030 . 1 . . . . 93 THR HG2 . 11181 1 1116 . 1 1 93 93 THR C C 13 172.897 0.300 . 1 . . . . 93 THR C . 11181 1 1117 . 1 1 93 93 THR CA C 13 57.987 0.300 . 1 . . . . 93 THR CA . 11181 1 1118 . 1 1 93 93 THR CB C 13 71.468 0.300 . 1 . . . . 93 THR CB . 11181 1 1119 . 1 1 93 93 THR CG2 C 13 20.107 0.300 . 1 . . . . 93 THR CG2 . 11181 1 1120 . 1 1 93 93 THR N N 15 112.987 0.300 . 1 . . . . 93 THR N . 11181 1 1121 . 1 1 94 94 ASP H H 1 9.467 0.030 . 1 . . . . 94 ASP H . 11181 1 1122 . 1 1 94 94 ASP HA H 1 4.415 0.030 . 1 . . . . 94 ASP HA . 11181 1 1123 . 1 1 94 94 ASP HB2 H 1 2.528 0.030 . 2 . . . . 94 ASP HB2 . 11181 1 1124 . 1 1 94 94 ASP HB3 H 1 2.610 0.030 . 2 . . . . 94 ASP HB3 . 11181 1 1125 . 1 1 94 94 ASP C C 13 174.317 0.300 . 1 . . . . 94 ASP C . 11181 1 1126 . 1 1 94 94 ASP CA C 13 54.114 0.300 . 1 . . . . 94 ASP CA . 11181 1 1127 . 1 1 94 94 ASP CB C 13 37.863 0.300 . 1 . . . . 94 ASP CB . 11181 1 1128 . 1 1 94 94 ASP N N 15 120.820 0.300 . 1 . . . . 94 ASP N . 11181 1 1129 . 1 1 95 95 GLY H H 1 8.307 0.030 . 1 . . . . 95 GLY H . 11181 1 1130 . 1 1 95 95 GLY HA2 H 1 3.455 0.030 . 2 . . . . 95 GLY HA2 . 11181 1 1131 . 1 1 95 95 GLY HA3 H 1 4.260 0.030 . 2 . . . . 95 GLY HA3 . 11181 1 1132 . 1 1 95 95 GLY C C 13 171.162 0.300 . 1 . . . . 95 GLY C . 11181 1 1133 . 1 1 95 95 GLY CA C 13 42.653 0.300 . 1 . . . . 95 GLY CA . 11181 1 1134 . 1 1 95 95 GLY N N 15 106.734 0.300 . 1 . . . . 95 GLY N . 11181 1 1135 . 1 1 96 96 GLY H H 1 7.250 0.030 . 1 . . . . 96 GLY H . 11181 1 1136 . 1 1 96 96 GLY HA2 H 1 3.700 0.030 . 2 . . . . 96 GLY HA2 . 11181 1 1137 . 1 1 96 96 GLY HA3 H 1 4.453 0.030 . 2 . . . . 96 GLY HA3 . 11181 1 1138 . 1 1 96 96 GLY C C 13 171.308 0.300 . 1 . . . . 96 GLY C . 11181 1 1139 . 1 1 96 96 GLY CA C 13 41.082 0.300 . 1 . . . . 96 GLY CA . 11181 1 1140 . 1 1 96 96 GLY N N 15 108.325 0.300 . 1 . . . . 96 GLY N . 11181 1 1141 . 1 1 97 97 ASP H H 1 8.454 0.030 . 1 . . . . 97 ASP H . 11181 1 1142 . 1 1 97 97 ASP HA H 1 5.027 0.030 . 1 . . . . 97 ASP HA . 11181 1 1143 . 1 1 97 97 ASP HB2 H 1 2.503 0.030 . 2 . . . . 97 ASP HB2 . 11181 1 1144 . 1 1 97 97 ASP HB3 H 1 2.648 0.030 . 2 . . . . 97 ASP HB3 . 11181 1 1145 . 1 1 97 97 ASP C C 13 175.299 0.300 . 1 . . . . 97 ASP C . 11181 1 1146 . 1 1 97 97 ASP CA C 13 51.816 0.300 . 1 . . . . 97 ASP CA . 11181 1 1147 . 1 1 97 97 ASP CB C 13 39.448 0.300 . 1 . . . . 97 ASP CB . 11181 1 1148 . 1 1 97 97 ASP N N 15 119.936 0.300 . 1 . . . . 97 ASP N . 11181 1 1149 . 1 1 98 98 GLY H H 1 8.840 0.030 . 1 . . . . 98 GLY H . 11181 1 1150 . 1 1 98 98 GLY HA2 H 1 3.738 0.030 . 2 . . . . 98 GLY HA2 . 11181 1 1151 . 1 1 98 98 GLY HA3 H 1 4.156 0.030 . 2 . . . . 98 GLY HA3 . 11181 1 1152 . 1 1 98 98 GLY C C 13 170.168 0.300 . 1 . . . . 98 GLY C . 11181 1 1153 . 1 1 98 98 GLY CA C 13 41.569 0.300 . 1 . . . . 98 GLY CA . 11181 1 1154 . 1 1 98 98 GLY N N 15 106.077 0.300 . 1 . . . . 98 GLY N . 11181 1 1155 . 1 1 99 99 THR H H 1 7.257 0.030 . 1 . . . . 99 THR H . 11181 1 1156 . 1 1 99 99 THR HA H 1 3.970 0.030 . 1 . . . . 99 THR HA . 11181 1 1157 . 1 1 99 99 THR HB H 1 3.655 0.030 . 1 . . . . 99 THR HB . 11181 1 1158 . 1 1 99 99 THR HG21 H 1 1.265 0.030 . 1 . . . . 99 THR HG2 . 11181 1 1159 . 1 1 99 99 THR HG22 H 1 1.265 0.030 . 1 . . . . 99 THR HG2 . 11181 1 1160 . 1 1 99 99 THR HG23 H 1 1.265 0.030 . 1 . . . . 99 THR HG2 . 11181 1 1161 . 1 1 99 99 THR C C 13 172.704 0.300 . 1 . . . . 99 THR C . 11181 1 1162 . 1 1 99 99 THR CA C 13 59.975 0.300 . 1 . . . . 99 THR CA . 11181 1 1163 . 1 1 99 99 THR CB C 13 67.780 0.300 . 1 . . . . 99 THR CB . 11181 1 1164 . 1 1 99 99 THR CG2 C 13 20.231 0.300 . 1 . . . . 99 THR CG2 . 11181 1 1165 . 1 1 99 99 THR N N 15 112.640 0.300 . 1 . . . . 99 THR N . 11181 1 1166 . 1 1 100 100 SER H H 1 8.650 0.030 . 1 . . . . 100 SER H . 11181 1 1167 . 1 1 100 100 SER HA H 1 4.432 0.030 . 1 . . . . 100 SER HA . 11181 1 1168 . 1 1 100 100 SER HB2 H 1 3.573 0.030 . 2 . . . . 100 SER HB2 . 11181 1 1169 . 1 1 100 100 SER HB3 H 1 3.777 0.030 . 2 . . . . 100 SER HB3 . 11181 1 1170 . 1 1 100 100 SER C C 13 173.103 0.300 . 1 . . . . 100 SER C . 11181 1 1171 . 1 1 100 100 SER CA C 13 57.572 0.300 . 1 . . . . 100 SER CA . 11181 1 1172 . 1 1 100 100 SER CB C 13 62.271 0.300 . 1 . . . . 100 SER CB . 11181 1 1173 . 1 1 100 100 SER N N 15 120.026 0.300 . 1 . . . . 100 SER N . 11181 1 1174 . 1 1 101 101 SER H H 1 8.740 0.030 . 1 . . . . 101 SER H . 11181 1 1175 . 1 1 101 101 SER HA H 1 4.201 0.030 . 1 . . . . 101 SER HA . 11181 1 1176 . 1 1 101 101 SER HB2 H 1 3.736 0.030 . 2 . . . . 101 SER HB2 . 11181 1 1177 . 1 1 101 101 SER HB3 H 1 4.285 0.030 . 2 . . . . 101 SER HB3 . 11181 1 1178 . 1 1 101 101 SER C C 13 170.957 0.300 . 1 . . . . 101 SER C . 11181 1 1179 . 1 1 101 101 SER CA C 13 56.427 0.300 . 1 . . . . 101 SER CA . 11181 1 1180 . 1 1 101 101 SER CB C 13 63.498 0.300 . 1 . . . . 101 SER CB . 11181 1 1181 . 1 1 101 101 SER N N 15 115.907 0.300 . 1 . . . . 101 SER N . 11181 1 1182 . 1 1 102 102 GLU H H 1 8.385 0.030 . 1 . . . . 102 GLU H . 11181 1 1183 . 1 1 102 102 GLU HA H 1 4.095 0.030 . 1 . . . . 102 GLU HA . 11181 1 1184 . 1 1 102 102 GLU HB2 H 1 1.932 0.030 . 2 . . . . 102 GLU HB2 . 11181 1 1185 . 1 1 102 102 GLU HB3 H 1 1.967 0.030 . 2 . . . . 102 GLU HB3 . 11181 1 1186 . 1 1 102 102 GLU HG2 H 1 2.283 0.030 . 1 . . . . 102 GLU HG2 . 11181 1 1187 . 1 1 102 102 GLU HG3 H 1 2.283 0.030 . 1 . . . . 102 GLU HG3 . 11181 1 1188 . 1 1 102 102 GLU C C 13 174.062 0.300 . 1 . . . . 102 GLU C . 11181 1 1189 . 1 1 102 102 GLU CA C 13 54.790 0.300 . 1 . . . . 102 GLU CA . 11181 1 1190 . 1 1 102 102 GLU CB C 13 27.827 0.300 . 1 . . . . 102 GLU CB . 11181 1 1191 . 1 1 102 102 GLU CG C 13 33.770 0.300 . 1 . . . . 102 GLU CG . 11181 1 1192 . 1 1 102 102 GLU N N 15 118.468 0.300 . 1 . . . . 102 GLU N . 11181 1 1193 . 1 1 103 103 GLN H H 1 8.494 0.030 . 1 . . . . 103 GLN H . 11181 1 1194 . 1 1 103 103 GLN HA H 1 4.582 0.030 . 1 . . . . 103 GLN HA . 11181 1 1195 . 1 1 103 103 GLN HB2 H 1 1.744 0.030 . 2 . . . . 103 GLN HB2 . 11181 1 1196 . 1 1 103 103 GLN HB3 H 1 1.914 0.030 . 2 . . . . 103 GLN HB3 . 11181 1 1197 . 1 1 103 103 GLN HE21 H 1 6.622 0.030 . 2 . . . . 103 GLN HE21 . 11181 1 1198 . 1 1 103 103 GLN HE22 H 1 7.585 0.030 . 2 . . . . 103 GLN HE22 . 11181 1 1199 . 1 1 103 103 GLN HG2 H 1 2.010 0.030 . 2 . . . . 103 GLN HG2 . 11181 1 1200 . 1 1 103 103 GLN HG3 H 1 2.330 0.030 . 2 . . . . 103 GLN HG3 . 11181 1 1201 . 1 1 103 103 GLN C C 13 173.979 0.300 . 1 . . . . 103 GLN C . 11181 1 1202 . 1 1 103 103 GLN CA C 13 53.790 0.300 . 1 . . . . 103 GLN CA . 11181 1 1203 . 1 1 103 103 GLN CB C 13 27.526 0.300 . 1 . . . . 103 GLN CB . 11181 1 1204 . 1 1 103 103 GLN CG C 13 32.703 0.300 . 1 . . . . 103 GLN CG . 11181 1 1205 . 1 1 103 103 GLN N N 15 123.020 0.300 . 1 . . . . 103 GLN N . 11181 1 1206 . 1 1 103 103 GLN NE2 N 15 111.591 0.300 . 1 . . . . 103 GLN NE2 . 11181 1 1207 . 1 1 104 104 ILE H H 1 8.941 0.030 . 1 . . . . 104 ILE H . 11181 1 1208 . 1 1 104 104 ILE HA H 1 4.398 0.030 . 1 . . . . 104 ILE HA . 11181 1 1209 . 1 1 104 104 ILE HB H 1 1.644 0.030 . 1 . . . . 104 ILE HB . 11181 1 1210 . 1 1 104 104 ILE HD11 H 1 0.693 0.030 . 1 . . . . 104 ILE HD1 . 11181 1 1211 . 1 1 104 104 ILE HD12 H 1 0.693 0.030 . 1 . . . . 104 ILE HD1 . 11181 1 1212 . 1 1 104 104 ILE HD13 H 1 0.693 0.030 . 1 . . . . 104 ILE HD1 . 11181 1 1213 . 1 1 104 104 ILE HG12 H 1 1.122 0.030 . 2 . . . . 104 ILE HG12 . 11181 1 1214 . 1 1 104 104 ILE HG13 H 1 1.237 0.030 . 2 . . . . 104 ILE HG13 . 11181 1 1215 . 1 1 104 104 ILE HG21 H 1 0.734 0.030 . 1 . . . . 104 ILE HG2 . 11181 1 1216 . 1 1 104 104 ILE HG22 H 1 0.734 0.030 . 1 . . . . 104 ILE HG2 . 11181 1 1217 . 1 1 104 104 ILE HG23 H 1 0.734 0.030 . 1 . . . . 104 ILE HG2 . 11181 1 1218 . 1 1 104 104 ILE C C 13 171.569 0.300 . 1 . . . . 104 ILE C . 11181 1 1219 . 1 1 104 104 ILE CA C 13 56.968 0.300 . 1 . . . . 104 ILE CA . 11181 1 1220 . 1 1 104 104 ILE CB C 13 38.305 0.300 . 1 . . . . 104 ILE CB . 11181 1 1221 . 1 1 104 104 ILE CD1 C 13 11.206 0.300 . 1 . . . . 104 ILE CD1 . 11181 1 1222 . 1 1 104 104 ILE CG1 C 13 24.730 0.300 . 1 . . . . 104 ILE CG1 . 11181 1 1223 . 1 1 104 104 ILE CG2 C 13 15.580 0.300 . 1 . . . . 104 ILE CG2 . 11181 1 1224 . 1 1 104 104 ILE N N 15 124.205 0.300 . 1 . . . . 104 ILE N . 11181 1 1225 . 1 1 105 105 ARG H H 1 8.394 0.030 . 1 . . . . 105 ARG H . 11181 1 1226 . 1 1 105 105 ARG HA H 1 5.197 0.030 . 1 . . . . 105 ARG HA . 11181 1 1227 . 1 1 105 105 ARG HB2 H 1 1.532 0.030 . 2 . . . . 105 ARG HB2 . 11181 1 1228 . 1 1 105 105 ARG HB3 H 1 1.666 0.030 . 2 . . . . 105 ARG HB3 . 11181 1 1229 . 1 1 105 105 ARG HD2 H 1 3.028 0.030 . 2 . . . . 105 ARG HD2 . 11181 1 1230 . 1 1 105 105 ARG HD3 H 1 3.117 0.030 . 2 . . . . 105 ARG HD3 . 11181 1 1231 . 1 1 105 105 ARG HG2 H 1 1.056 0.030 . 2 . . . . 105 ARG HG2 . 11181 1 1232 . 1 1 105 105 ARG HG3 H 1 1.380 0.030 . 2 . . . . 105 ARG HG3 . 11181 1 1233 . 1 1 105 105 ARG C C 13 172.945 0.300 . 1 . . . . 105 ARG C . 11181 1 1234 . 1 1 105 105 ARG CA C 13 51.568 0.300 . 1 . . . . 105 ARG CA . 11181 1 1235 . 1 1 105 105 ARG CB C 13 29.988 0.300 . 1 . . . . 105 ARG CB . 11181 1 1236 . 1 1 105 105 ARG CD C 13 41.000 0.300 . 1 . . . . 105 ARG CD . 11181 1 1237 . 1 1 105 105 ARG CG C 13 25.925 0.300 . 1 . . . . 105 ARG CG . 11181 1 1238 . 1 1 105 105 ARG N N 15 125.459 0.300 . 1 . . . . 105 ARG N . 11181 1 1239 . 1 1 106 106 ILE H H 1 8.722 0.030 . 1 . . . . 106 ILE H . 11181 1 1240 . 1 1 106 106 ILE HA H 1 3.815 0.030 . 1 . . . . 106 ILE HA . 11181 1 1241 . 1 1 106 106 ILE HB H 1 1.398 0.030 . 1 . . . . 106 ILE HB . 11181 1 1242 . 1 1 106 106 ILE HD11 H 1 -0.006 0.030 . 1 . . . . 106 ILE HD1 . 11181 1 1243 . 1 1 106 106 ILE HD12 H 1 -0.006 0.030 . 1 . . . . 106 ILE HD1 . 11181 1 1244 . 1 1 106 106 ILE HD13 H 1 -0.006 0.030 . 1 . . . . 106 ILE HD1 . 11181 1 1245 . 1 1 106 106 ILE HG12 H 1 0.741 0.030 . 2 . . . . 106 ILE HG12 . 11181 1 1246 . 1 1 106 106 ILE HG13 H 1 -0.627 0.030 . 2 . . . . 106 ILE HG13 . 11181 1 1247 . 1 1 106 106 ILE HG21 H 1 -0.228 0.030 . 1 . . . . 106 ILE HG2 . 11181 1 1248 . 1 1 106 106 ILE HG22 H 1 -0.228 0.030 . 1 . . . . 106 ILE HG2 . 11181 1 1249 . 1 1 106 106 ILE HG23 H 1 -0.228 0.030 . 1 . . . . 106 ILE HG2 . 11181 1 1250 . 1 1 106 106 ILE C C 13 170.729 0.300 . 1 . . . . 106 ILE C . 11181 1 1251 . 1 1 106 106 ILE CA C 13 54.891 0.300 . 1 . . . . 106 ILE CA . 11181 1 1252 . 1 1 106 106 ILE CB C 13 36.490 0.300 . 1 . . . . 106 ILE CB . 11181 1 1253 . 1 1 106 106 ILE CD1 C 13 11.590 0.300 . 1 . . . . 106 ILE CD1 . 11181 1 1254 . 1 1 106 106 ILE CG1 C 13 23.560 0.300 . 1 . . . . 106 ILE CG1 . 11181 1 1255 . 1 1 106 106 ILE CG2 C 13 12.900 0.300 . 1 . . . . 106 ILE CG2 . 11181 1 1256 . 1 1 106 106 ILE N N 15 127.313 0.300 . 1 . . . . 106 ILE N . 11181 1 1257 . 1 1 107 107 PRO HA H 1 4.158 0.030 . 1 . . . . 107 PRO HA . 11181 1 1258 . 1 1 107 107 PRO HB2 H 1 1.830 0.030 . 2 . . . . 107 PRO HB2 . 11181 1 1259 . 1 1 107 107 PRO HB3 H 1 2.147 0.030 . 2 . . . . 107 PRO HB3 . 11181 1 1260 . 1 1 107 107 PRO HD2 H 1 3.458 0.030 . 2 . . . . 107 PRO HD2 . 11181 1 1261 . 1 1 107 107 PRO HD3 H 1 3.796 0.030 . 2 . . . . 107 PRO HD3 . 11181 1 1262 . 1 1 107 107 PRO HG2 H 1 1.834 0.030 . 2 . . . . 107 PRO HG2 . 11181 1 1263 . 1 1 107 107 PRO HG3 H 1 2.048 0.030 . 2 . . . . 107 PRO HG3 . 11181 1 1264 . 1 1 107 107 PRO C C 13 173.346 0.300 . 1 . . . . 107 PRO C . 11181 1 1265 . 1 1 107 107 PRO CA C 13 59.327 0.300 . 1 . . . . 107 PRO CA . 11181 1 1266 . 1 1 107 107 PRO CB C 13 30.165 0.300 . 1 . . . . 107 PRO CB . 11181 1 1267 . 1 1 107 107 PRO CD C 13 49.344 0.300 . 1 . . . . 107 PRO CD . 11181 1 1268 . 1 1 107 107 PRO CG C 13 24.891 0.300 . 1 . . . . 107 PRO CG . 11181 1 1269 . 1 1 108 108 ARG H H 1 8.252 0.030 . 1 . . . . 108 ARG H . 11181 1 1270 . 1 1 108 108 ARG HA H 1 3.972 0.030 . 1 . . . . 108 ARG HA . 11181 1 1271 . 1 1 108 108 ARG HB2 H 1 1.263 0.030 . 2 . . . . 108 ARG HB2 . 11181 1 1272 . 1 1 108 108 ARG HB3 H 1 1.384 0.030 . 2 . . . . 108 ARG HB3 . 11181 1 1273 . 1 1 108 108 ARG HD2 H 1 2.768 0.030 . 2 . . . . 108 ARG HD2 . 11181 1 1274 . 1 1 108 108 ARG HD3 H 1 2.838 0.030 . 2 . . . . 108 ARG HD3 . 11181 1 1275 . 1 1 108 108 ARG HG2 H 1 1.234 0.030 . 2 . . . . 108 ARG HG2 . 11181 1 1276 . 1 1 108 108 ARG HG3 H 1 1.390 0.030 . 2 . . . . 108 ARG HG3 . 11181 1 1277 . 1 1 108 108 ARG C C 13 173.844 0.300 . 1 . . . . 108 ARG C . 11181 1 1278 . 1 1 108 108 ARG CA C 13 52.998 0.300 . 1 . . . . 108 ARG CA . 11181 1 1279 . 1 1 108 108 ARG CB C 13 27.986 0.300 . 1 . . . . 108 ARG CB . 11181 1 1280 . 1 1 108 108 ARG CD C 13 41.510 0.300 . 1 . . . . 108 ARG CD . 11181 1 1281 . 1 1 108 108 ARG CG C 13 23.573 0.300 . 1 . . . . 108 ARG CG . 11181 1 1282 . 1 1 108 108 ARG N N 15 118.655 0.300 . 1 . . . . 108 ARG N . 11181 1 1283 . 1 1 109 109 ILE H H 1 8.104 0.030 . 1 . . . . 109 ILE H . 11181 1 1284 . 1 1 109 109 ILE HA H 1 4.074 0.030 . 1 . . . . 109 ILE HA . 11181 1 1285 . 1 1 109 109 ILE HB H 1 1.723 0.030 . 1 . . . . 109 ILE HB . 11181 1 1286 . 1 1 109 109 ILE HD11 H 1 0.740 0.030 . 1 . . . . 109 ILE HD1 . 11181 1 1287 . 1 1 109 109 ILE HD12 H 1 0.740 0.030 . 1 . . . . 109 ILE HD1 . 11181 1 1288 . 1 1 109 109 ILE HD13 H 1 0.740 0.030 . 1 . . . . 109 ILE HD1 . 11181 1 1289 . 1 1 109 109 ILE HG12 H 1 1.188 0.030 . 2 . . . . 109 ILE HG12 . 11181 1 1290 . 1 1 109 109 ILE HG13 H 1 1.392 0.030 . 2 . . . . 109 ILE HG13 . 11181 1 1291 . 1 1 109 109 ILE HG21 H 1 0.827 0.030 . 1 . . . . 109 ILE HG2 . 11181 1 1292 . 1 1 109 109 ILE HG22 H 1 0.827 0.030 . 1 . . . . 109 ILE HG2 . 11181 1 1293 . 1 1 109 109 ILE HG23 H 1 0.827 0.030 . 1 . . . . 109 ILE HG2 . 11181 1 1294 . 1 1 109 109 ILE C C 13 173.965 0.300 . 1 . . . . 109 ILE C . 11181 1 1295 . 1 1 109 109 ILE CA C 13 58.515 0.300 . 1 . . . . 109 ILE CA . 11181 1 1296 . 1 1 109 109 ILE CB C 13 36.237 0.300 . 1 . . . . 109 ILE CB . 11181 1 1297 . 1 1 109 109 ILE CD1 C 13 10.415 0.300 . 1 . . . . 109 ILE CD1 . 11181 1 1298 . 1 1 109 109 ILE CG1 C 13 25.032 0.300 . 1 . . . . 109 ILE CG1 . 11181 1 1299 . 1 1 109 109 ILE CG2 C 13 15.560 0.300 . 1 . . . . 109 ILE CG2 . 11181 1 1300 . 1 1 109 109 ILE N N 15 122.535 0.300 . 1 . . . . 109 ILE N . 11181 1 1301 . 1 1 110 110 THR H H 1 8.122 0.030 . 1 . . . . 110 THR H . 11181 1 1302 . 1 1 110 110 THR HA H 1 4.328 0.030 . 1 . . . . 110 THR HA . 11181 1 1303 . 1 1 110 110 THR HB H 1 4.169 0.030 . 1 . . . . 110 THR HB . 11181 1 1304 . 1 1 110 110 THR HG21 H 1 1.097 0.030 . 1 . . . . 110 THR HG2 . 11181 1 1305 . 1 1 110 110 THR HG22 H 1 1.097 0.030 . 1 . . . . 110 THR HG2 . 11181 1 1306 . 1 1 110 110 THR HG23 H 1 1.097 0.030 . 1 . . . . 110 THR HG2 . 11181 1 1307 . 1 1 110 110 THR C C 13 172.256 0.300 . 1 . . . . 110 THR C . 11181 1 1308 . 1 1 110 110 THR CA C 13 59.056 0.300 . 1 . . . . 110 THR CA . 11181 1 1309 . 1 1 110 110 THR CB C 13 67.702 0.300 . 1 . . . . 110 THR CB . 11181 1 1310 . 1 1 110 110 THR CG2 C 13 19.245 0.300 . 1 . . . . 110 THR CG2 . 11181 1 1311 . 1 1 110 110 THR N N 15 117.147 0.300 . 1 . . . . 110 THR N . 11181 1 1312 . 1 1 111 111 SER H H 1 8.912 0.030 . 1 . . . . 111 SER H . 11181 1 1313 . 1 1 112 112 SER HA H 1 4.444 0.030 . 1 . . . . 112 SER HA . 11181 1 1314 . 1 1 112 112 SER HB2 H 1 3.792 0.030 . 1 . . . . 112 SER HB2 . 11181 1 1315 . 1 1 112 112 SER HB3 H 1 3.792 0.030 . 1 . . . . 112 SER HB3 . 11181 1 1316 . 1 1 113 113 GLY H H 1 8.141 0.030 . 1 . . . . 113 GLY H . 11181 1 1317 . 1 1 113 113 GLY HA2 H 1 4.049 0.030 . 1 . . . . 113 GLY HA2 . 11181 1 1318 . 1 1 113 113 GLY HA3 H 1 4.049 0.030 . 1 . . . . 113 GLY HA3 . 11181 1 1319 . 1 1 113 113 GLY CA C 13 42.321 0.300 . 1 . . . . 113 GLY CA . 11181 1 1320 . 1 1 113 113 GLY N N 15 110.291 0.300 . 1 . . . . 113 GLY N . 11181 1 1321 . 1 1 114 114 PRO HA H 1 4.404 0.030 . 1 . . . . 114 PRO HA . 11181 1 1322 . 1 1 114 114 PRO HB2 H 1 1.896 0.030 . 2 . . . . 114 PRO HB2 . 11181 1 1323 . 1 1 114 114 PRO HB3 H 1 2.222 0.030 . 2 . . . . 114 PRO HB3 . 11181 1 1324 . 1 1 114 114 PRO HD2 H 1 3.550 0.030 . 1 . . . . 114 PRO HD2 . 11181 1 1325 . 1 1 114 114 PRO HD3 H 1 3.550 0.030 . 1 . . . . 114 PRO HD3 . 11181 1 1326 . 1 1 114 114 PRO HG2 H 1 1.944 0.030 . 1 . . . . 114 PRO HG2 . 11181 1 1327 . 1 1 114 114 PRO HG3 H 1 1.944 0.030 . 1 . . . . 114 PRO HG3 . 11181 1 1328 . 1 1 114 114 PRO C C 13 175.046 0.300 . 1 . . . . 114 PRO C . 11181 1 1329 . 1 1 114 114 PRO CA C 13 60.943 0.300 . 1 . . . . 114 PRO CA . 11181 1 1330 . 1 1 114 114 PRO CB C 13 29.924 0.300 . 1 . . . . 114 PRO CB . 11181 1 1331 . 1 1 114 114 PRO CD C 13 47.504 0.300 . 1 . . . . 114 PRO CD . 11181 1 1332 . 1 1 114 114 PRO CG C 13 24.875 0.300 . 1 . . . . 114 PRO CG . 11181 1 1333 . 1 1 115 115 SER H H 1 8.471 0.030 . 1 . . . . 115 SER H . 11181 1 1334 . 1 1 115 115 SER HA H 1 4.429 0.030 . 1 . . . . 115 SER HA . 11181 1 1335 . 1 1 115 115 SER HB2 H 1 3.828 0.030 . 1 . . . . 115 SER HB2 . 11181 1 1336 . 1 1 115 115 SER HB3 H 1 3.828 0.030 . 1 . . . . 115 SER HB3 . 11181 1 1337 . 1 1 115 115 SER C C 13 172.231 0.300 . 1 . . . . 115 SER C . 11181 1 1338 . 1 1 115 115 SER CA C 13 55.981 0.300 . 1 . . . . 115 SER CA . 11181 1 1339 . 1 1 115 115 SER CB C 13 61.525 0.300 . 1 . . . . 115 SER CB . 11181 1 1340 . 1 1 115 115 SER N N 15 115.999 0.300 . 1 . . . . 115 SER N . 11181 1 1341 . 1 1 116 116 SER H H 1 8.206 0.030 . 1 . . . . 116 SER H . 11181 1 1342 . 1 1 116 116 SER HA H 1 4.359 0.030 . 1 . . . . 116 SER HA . 11181 1 1343 . 1 1 116 116 SER HB2 H 1 3.792 0.030 . 1 . . . . 116 SER HB2 . 11181 1 1344 . 1 1 116 116 SER HB3 H 1 3.792 0.030 . 1 . . . . 116 SER HB3 . 11181 1 1345 . 1 1 116 116 SER C C 13 171.514 0.300 . 1 . . . . 116 SER C . 11181 1 1346 . 1 1 116 116 SER CA C 13 55.911 0.300 . 1 . . . . 116 SER CA . 11181 1 1347 . 1 1 116 116 SER CB C 13 61.854 0.300 . 1 . . . . 116 SER CB . 11181 1 1348 . 1 1 116 116 SER N N 15 117.417 0.300 . 1 . . . . 116 SER N . 11181 1 1349 . 1 1 117 117 GLY H H 1 7.907 0.030 . 1 . . . . 117 GLY H . 11181 1 1350 . 1 1 117 117 GLY C C 13 176.569 0.300 . 1 . . . . 117 GLY C . 11181 1 1351 . 1 1 117 117 GLY CA C 13 43.842 0.300 . 1 . . . . 117 GLY CA . 11181 1 1352 . 1 1 117 117 GLY N N 15 116.401 0.300 . 1 . . . . 117 GLY N . 11181 1 stop_ save_