data_11116 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11116 _Entry.Title ; The solution structure of the second thioredoxin-like domain of human Protein disulfide-isomerase A6 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-31 _Entry.Accession_date 2010-03-31 _Entry.Last_release_date 2011-04-01 _Entry.Original_release_date 2011-04-01 _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 N. Tochio . . . 11116 2 S. Koshiba . . . 11116 3 M. Inoue . . . 11116 4 T. Kigawa . . . 11116 5 S. Yokoyama . . . 11116 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)' . 11116 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11116 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 550 11116 '15N chemical shifts' 123 11116 '1H chemical shifts' 837 11116 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 . . 2011-04-01 2010-03-31 original author . 11116 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X5D 'BMRB Entry Tracking System' 11116 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11116 _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 ; The solution structure of the second thioredoxin-like domain of human Protein disulfide-isomerase A6 ; _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 N. Tochio . . . 11116 1 2 S. Koshiba . . . 11116 1 3 M. Inoue . . . 11116 1 4 T. Kigawa . . . 11116 1 5 S. Yokoyama . . . 11116 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11116 _Assembly.ID 1 _Assembly.Name 'Protein disulfide-isomerase A6' _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 E.C.5.3.4.1 _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 'Thioredoxin like domain' 1 $entity_1 A . yes native no no . . . 11116 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 1x5d . . . . . . 11116 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11116 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Thioredoxin like 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 ; GSSGSSGDVIELTDDSFDKN VLDSEDVWMVEFYAPWCGHC KNLEPEWAAAASEVKEQTKG KVKLAAVDATVNQVLASRYG IRGFPTIKIFQKGESPVDYD GGRTRSDIVSRALDLFSDNA PPPELLESGPSSG ; _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 133 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X5D . "The Solution Structure Of The Second Thioredoxin-Like Domain Of Human Protein Disulfide-Isomerase A6" . . . . . 100.00 133 100.00 100.00 6.87e-91 . . . . 11116 1 2 no PDB 4GWR . "Crystal Structure Of The Second Catalytic Domain Of Protein Disulfide Isomerase P5" . . . . . 85.71 123 100.00 100.00 7.52e-78 . . . . 11116 1 3 no GB EAX00949 . "protein disulfide isomerase family A, member 6, isoform CRA_a [Homo sapiens]" . . . . . 74.44 259 100.00 100.00 6.26e-64 . . . . 11116 1 4 no REF XP_007080745 . "PREDICTED: protein disulfide-isomerase A6 [Panthera tigris altaica]" . . . . . 74.44 259 98.99 100.00 1.09e-63 . . . . 11116 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Thioredoxin like domain' . 11116 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 . 11116 1 2 . SER . 11116 1 3 . SER . 11116 1 4 . GLY . 11116 1 5 . SER . 11116 1 6 . SER . 11116 1 7 . GLY . 11116 1 8 . ASP . 11116 1 9 . VAL . 11116 1 10 . ILE . 11116 1 11 . GLU . 11116 1 12 . LEU . 11116 1 13 . THR . 11116 1 14 . ASP . 11116 1 15 . ASP . 11116 1 16 . SER . 11116 1 17 . PHE . 11116 1 18 . ASP . 11116 1 19 . LYS . 11116 1 20 . ASN . 11116 1 21 . VAL . 11116 1 22 . LEU . 11116 1 23 . ASP . 11116 1 24 . SER . 11116 1 25 . GLU . 11116 1 26 . ASP . 11116 1 27 . VAL . 11116 1 28 . TRP . 11116 1 29 . MET . 11116 1 30 . VAL . 11116 1 31 . GLU . 11116 1 32 . PHE . 11116 1 33 . TYR . 11116 1 34 . ALA . 11116 1 35 . PRO . 11116 1 36 . TRP . 11116 1 37 . CYS . 11116 1 38 . GLY . 11116 1 39 . HIS . 11116 1 40 . CYS . 11116 1 41 . LYS . 11116 1 42 . ASN . 11116 1 43 . LEU . 11116 1 44 . GLU . 11116 1 45 . PRO . 11116 1 46 . GLU . 11116 1 47 . TRP . 11116 1 48 . ALA . 11116 1 49 . ALA . 11116 1 50 . ALA . 11116 1 51 . ALA . 11116 1 52 . SER . 11116 1 53 . GLU . 11116 1 54 . VAL . 11116 1 55 . LYS . 11116 1 56 . GLU . 11116 1 57 . GLN . 11116 1 58 . THR . 11116 1 59 . LYS . 11116 1 60 . GLY . 11116 1 61 . LYS . 11116 1 62 . VAL . 11116 1 63 . LYS . 11116 1 64 . LEU . 11116 1 65 . ALA . 11116 1 66 . ALA . 11116 1 67 . VAL . 11116 1 68 . ASP . 11116 1 69 . ALA . 11116 1 70 . THR . 11116 1 71 . VAL . 11116 1 72 . ASN . 11116 1 73 . GLN . 11116 1 74 . VAL . 11116 1 75 . LEU . 11116 1 76 . ALA . 11116 1 77 . SER . 11116 1 78 . ARG . 11116 1 79 . TYR . 11116 1 80 . GLY . 11116 1 81 . ILE . 11116 1 82 . ARG . 11116 1 83 . GLY . 11116 1 84 . PHE . 11116 1 85 . PRO . 11116 1 86 . THR . 11116 1 87 . ILE . 11116 1 88 . LYS . 11116 1 89 . ILE . 11116 1 90 . PHE . 11116 1 91 . GLN . 11116 1 92 . LYS . 11116 1 93 . GLY . 11116 1 94 . GLU . 11116 1 95 . SER . 11116 1 96 . PRO . 11116 1 97 . VAL . 11116 1 98 . ASP . 11116 1 99 . TYR . 11116 1 100 . ASP . 11116 1 101 . GLY . 11116 1 102 . GLY . 11116 1 103 . ARG . 11116 1 104 . THR . 11116 1 105 . ARG . 11116 1 106 . SER . 11116 1 107 . ASP . 11116 1 108 . ILE . 11116 1 109 . VAL . 11116 1 110 . SER . 11116 1 111 . ARG . 11116 1 112 . ALA . 11116 1 113 . LEU . 11116 1 114 . ASP . 11116 1 115 . LEU . 11116 1 116 . PHE . 11116 1 117 . SER . 11116 1 118 . ASP . 11116 1 119 . ASN . 11116 1 120 . ALA . 11116 1 121 . PRO . 11116 1 122 . PRO . 11116 1 123 . PRO . 11116 1 124 . GLU . 11116 1 125 . LEU . 11116 1 126 . LEU . 11116 1 127 . GLU . 11116 1 128 . SER . 11116 1 129 . GLY . 11116 1 130 . PRO . 11116 1 131 . SER . 11116 1 132 . SER . 11116 1 133 . GLY . 11116 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 11116 1 . SER 2 2 11116 1 . SER 3 3 11116 1 . GLY 4 4 11116 1 . SER 5 5 11116 1 . SER 6 6 11116 1 . GLY 7 7 11116 1 . ASP 8 8 11116 1 . VAL 9 9 11116 1 . ILE 10 10 11116 1 . GLU 11 11 11116 1 . LEU 12 12 11116 1 . THR 13 13 11116 1 . ASP 14 14 11116 1 . ASP 15 15 11116 1 . SER 16 16 11116 1 . PHE 17 17 11116 1 . ASP 18 18 11116 1 . LYS 19 19 11116 1 . ASN 20 20 11116 1 . VAL 21 21 11116 1 . LEU 22 22 11116 1 . ASP 23 23 11116 1 . SER 24 24 11116 1 . GLU 25 25 11116 1 . ASP 26 26 11116 1 . VAL 27 27 11116 1 . TRP 28 28 11116 1 . MET 29 29 11116 1 . VAL 30 30 11116 1 . GLU 31 31 11116 1 . PHE 32 32 11116 1 . TYR 33 33 11116 1 . ALA 34 34 11116 1 . PRO 35 35 11116 1 . TRP 36 36 11116 1 . CYS 37 37 11116 1 . GLY 38 38 11116 1 . HIS 39 39 11116 1 . CYS 40 40 11116 1 . LYS 41 41 11116 1 . ASN 42 42 11116 1 . LEU 43 43 11116 1 . GLU 44 44 11116 1 . PRO 45 45 11116 1 . GLU 46 46 11116 1 . TRP 47 47 11116 1 . ALA 48 48 11116 1 . ALA 49 49 11116 1 . ALA 50 50 11116 1 . ALA 51 51 11116 1 . SER 52 52 11116 1 . GLU 53 53 11116 1 . VAL 54 54 11116 1 . LYS 55 55 11116 1 . GLU 56 56 11116 1 . GLN 57 57 11116 1 . THR 58 58 11116 1 . LYS 59 59 11116 1 . GLY 60 60 11116 1 . LYS 61 61 11116 1 . VAL 62 62 11116 1 . LYS 63 63 11116 1 . LEU 64 64 11116 1 . ALA 65 65 11116 1 . ALA 66 66 11116 1 . VAL 67 67 11116 1 . ASP 68 68 11116 1 . ALA 69 69 11116 1 . THR 70 70 11116 1 . VAL 71 71 11116 1 . ASN 72 72 11116 1 . GLN 73 73 11116 1 . VAL 74 74 11116 1 . LEU 75 75 11116 1 . ALA 76 76 11116 1 . SER 77 77 11116 1 . ARG 78 78 11116 1 . TYR 79 79 11116 1 . GLY 80 80 11116 1 . ILE 81 81 11116 1 . ARG 82 82 11116 1 . GLY 83 83 11116 1 . PHE 84 84 11116 1 . PRO 85 85 11116 1 . THR 86 86 11116 1 . ILE 87 87 11116 1 . LYS 88 88 11116 1 . ILE 89 89 11116 1 . PHE 90 90 11116 1 . GLN 91 91 11116 1 . LYS 92 92 11116 1 . GLY 93 93 11116 1 . GLU 94 94 11116 1 . SER 95 95 11116 1 . PRO 96 96 11116 1 . VAL 97 97 11116 1 . ASP 98 98 11116 1 . TYR 99 99 11116 1 . ASP 100 100 11116 1 . GLY 101 101 11116 1 . GLY 102 102 11116 1 . ARG 103 103 11116 1 . THR 104 104 11116 1 . ARG 105 105 11116 1 . SER 106 106 11116 1 . ASP 107 107 11116 1 . ILE 108 108 11116 1 . VAL 109 109 11116 1 . SER 110 110 11116 1 . ARG 111 111 11116 1 . ALA 112 112 11116 1 . LEU 113 113 11116 1 . ASP 114 114 11116 1 . LEU 115 115 11116 1 . PHE 116 116 11116 1 . SER 117 117 11116 1 . ASP 118 118 11116 1 . ASN 119 119 11116 1 . ALA 120 120 11116 1 . PRO 121 121 11116 1 . PRO 122 122 11116 1 . PRO 123 123 11116 1 . GLU 124 124 11116 1 . LEU 125 125 11116 1 . LEU 126 126 11116 1 . GLU 127 127 11116 1 . SER 128 128 11116 1 . GLY 129 129 11116 1 . PRO 130 130 11116 1 . SER 131 131 11116 1 . SER 132 132 11116 1 . GLY 133 133 11116 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 11116 _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 . . . . . . . . . . . . . . . . . . . . . 11116 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 11116 _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 . . . . . . . . . . . . . . . . P040628-10 . . . . . . 11116 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11116 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.1mM thioredoxin like domain {U-15N,13C;} 20mM {d-Tris HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'thioredoxin like domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.1 . . mM . . . . 11116 1 2 'd-Tris HCl' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11116 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11116 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11116 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11116 1 6 H2O . . . . . . solvent 90 . . % . . . . 11116 1 7 D2O . . . . . . solvent 10 . . % . . . . 11116 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 11116 _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 11116 1 pH 7.0 0.05 pH 11116 1 pressure 1 0.001 atm 11116 1 temperature 296 0.1 K 11116 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11116 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11116 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11116 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11116 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11116 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11116 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11116 _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.' . . 11116 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11116 3 stop_ save_ save_KUJIRA _Software.Sf_category software _Software.Sf_framecode KUJIRA _Software.Entry_ID 11116 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9049 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11116 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11116 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11116 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11116 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11116 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 11116 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11116 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11116 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 11116 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11116 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11116 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 11116 _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 . . . . . . . . . 11116 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11116 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11116 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 11116 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11116 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11116 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11116 1 2 $NMRPipe . . 11116 1 3 $NMRView . . 11116 1 4 $KUJIRA . . 11116 1 5 $CYANA . . 11116 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.522 0.030 . 1 . . . . 6 SER HA . 11116 1 2 . 1 1 6 6 SER HB2 H 1 3.888 0.030 . 2 . . . . 6 SER HB2 . 11116 1 3 . 1 1 6 6 SER C C 13 175.004 0.300 . 1 . . . . 6 SER C . 11116 1 4 . 1 1 6 6 SER CA C 13 58.469 0.300 . 1 . . . . 6 SER CA . 11116 1 5 . 1 1 6 6 SER CB C 13 63.688 0.300 . 1 . . . . 6 SER CB . 11116 1 6 . 1 1 7 7 GLY H H 1 8.314 0.030 . 1 . . . . 7 GLY H . 11116 1 7 . 1 1 7 7 GLY HA2 H 1 3.951 0.030 . 1 . . . . 7 GLY HA2 . 11116 1 8 . 1 1 7 7 GLY HA3 H 1 3.951 0.030 . 1 . . . . 7 GLY HA3 . 11116 1 9 . 1 1 7 7 GLY C C 13 174.252 0.300 . 1 . . . . 7 GLY C . 11116 1 10 . 1 1 7 7 GLY CA C 13 45.701 0.300 . 1 . . . . 7 GLY CA . 11116 1 11 . 1 1 7 7 GLY N N 15 110.734 0.300 . 1 . . . . 7 GLY N . 11116 1 12 . 1 1 8 8 ASP H H 1 8.476 0.030 . 1 . . . . 8 ASP H . 11116 1 13 . 1 1 8 8 ASP HA H 1 4.710 0.030 . 1 . . . . 8 ASP HA . 11116 1 14 . 1 1 8 8 ASP HB2 H 1 2.516 0.030 . 2 . . . . 8 ASP HB2 . 11116 1 15 . 1 1 8 8 ASP HB3 H 1 2.208 0.030 . 2 . . . . 8 ASP HB3 . 11116 1 16 . 1 1 8 8 ASP C C 13 175.717 0.300 . 1 . . . . 8 ASP C . 11116 1 17 . 1 1 8 8 ASP CA C 13 55.402 0.300 . 1 . . . . 8 ASP CA . 11116 1 18 . 1 1 8 8 ASP CB C 13 41.931 0.300 . 1 . . . . 8 ASP CB . 11116 1 19 . 1 1 8 8 ASP N N 15 118.810 0.300 . 1 . . . . 8 ASP N . 11116 1 20 . 1 1 9 9 VAL H H 1 7.839 0.030 . 1 . . . . 9 VAL H . 11116 1 21 . 1 1 9 9 VAL HA H 1 3.647 0.030 . 1 . . . . 9 VAL HA . 11116 1 22 . 1 1 9 9 VAL HB H 1 2.133 0.030 . 1 . . . . 9 VAL HB . 11116 1 23 . 1 1 9 9 VAL HG11 H 1 0.920 0.030 . 1 . . . . 9 VAL HG1 . 11116 1 24 . 1 1 9 9 VAL HG12 H 1 0.920 0.030 . 1 . . . . 9 VAL HG1 . 11116 1 25 . 1 1 9 9 VAL HG13 H 1 0.920 0.030 . 1 . . . . 9 VAL HG1 . 11116 1 26 . 1 1 9 9 VAL HG21 H 1 0.918 0.030 . 1 . . . . 9 VAL HG2 . 11116 1 27 . 1 1 9 9 VAL HG22 H 1 0.918 0.030 . 1 . . . . 9 VAL HG2 . 11116 1 28 . 1 1 9 9 VAL HG23 H 1 0.918 0.030 . 1 . . . . 9 VAL HG2 . 11116 1 29 . 1 1 9 9 VAL C C 13 175.737 0.300 . 1 . . . . 9 VAL C . 11116 1 30 . 1 1 9 9 VAL CA C 13 63.064 0.300 . 1 . . . . 9 VAL CA . 11116 1 31 . 1 1 9 9 VAL CB C 13 32.369 0.300 . 1 . . . . 9 VAL CB . 11116 1 32 . 1 1 9 9 VAL CG1 C 13 23.058 0.300 . 2 . . . . 9 VAL CG1 . 11116 1 33 . 1 1 9 9 VAL CG2 C 13 22.255 0.300 . 2 . . . . 9 VAL CG2 . 11116 1 34 . 1 1 9 9 VAL N N 15 121.454 0.300 . 1 . . . . 9 VAL N . 11116 1 35 . 1 1 10 10 ILE H H 1 8.061 0.030 . 1 . . . . 10 ILE H . 11116 1 36 . 1 1 10 10 ILE HA H 1 4.090 0.030 . 1 . . . . 10 ILE HA . 11116 1 37 . 1 1 10 10 ILE HB H 1 1.890 0.030 . 1 . . . . 10 ILE HB . 11116 1 38 . 1 1 10 10 ILE HD11 H 1 0.846 0.030 . 1 . . . . 10 ILE HD1 . 11116 1 39 . 1 1 10 10 ILE HD12 H 1 0.846 0.030 . 1 . . . . 10 ILE HD1 . 11116 1 40 . 1 1 10 10 ILE HD13 H 1 0.846 0.030 . 1 . . . . 10 ILE HD1 . 11116 1 41 . 1 1 10 10 ILE HG12 H 1 1.686 0.030 . 2 . . . . 10 ILE HG12 . 11116 1 42 . 1 1 10 10 ILE HG13 H 1 1.174 0.030 . 2 . . . . 10 ILE HG13 . 11116 1 43 . 1 1 10 10 ILE HG21 H 1 0.979 0.030 . 1 . . . . 10 ILE HG2 . 11116 1 44 . 1 1 10 10 ILE HG22 H 1 0.979 0.030 . 1 . . . . 10 ILE HG2 . 11116 1 45 . 1 1 10 10 ILE HG23 H 1 0.979 0.030 . 1 . . . . 10 ILE HG2 . 11116 1 46 . 1 1 10 10 ILE C C 13 174.494 0.300 . 1 . . . . 10 ILE C . 11116 1 47 . 1 1 10 10 ILE CA C 13 61.320 0.300 . 1 . . . . 10 ILE CA . 11116 1 48 . 1 1 10 10 ILE CB C 13 39.621 0.300 . 1 . . . . 10 ILE CB . 11116 1 49 . 1 1 10 10 ILE CD1 C 13 14.167 0.300 . 1 . . . . 10 ILE CD1 . 11116 1 50 . 1 1 10 10 ILE CG1 C 13 28.044 0.300 . 1 . . . . 10 ILE CG1 . 11116 1 51 . 1 1 10 10 ILE CG2 C 13 17.334 0.300 . 1 . . . . 10 ILE CG2 . 11116 1 52 . 1 1 10 10 ILE N N 15 130.552 0.300 . 1 . . . . 10 ILE N . 11116 1 53 . 1 1 11 11 GLU H H 1 8.787 0.030 . 1 . . . . 11 GLU H . 11116 1 54 . 1 1 11 11 GLU HA H 1 4.886 0.030 . 1 . . . . 11 GLU HA . 11116 1 55 . 1 1 11 11 GLU HB2 H 1 2.059 0.030 . 2 . . . . 11 GLU HB2 . 11116 1 56 . 1 1 11 11 GLU HB3 H 1 2.012 0.030 . 2 . . . . 11 GLU HB3 . 11116 1 57 . 1 1 11 11 GLU HG2 H 1 2.269 0.030 . 2 . . . . 11 GLU HG2 . 11116 1 58 . 1 1 11 11 GLU HG3 H 1 2.149 0.030 . 2 . . . . 11 GLU HG3 . 11116 1 59 . 1 1 11 11 GLU C C 13 176.566 0.300 . 1 . . . . 11 GLU C . 11116 1 60 . 1 1 11 11 GLU CA C 13 55.941 0.300 . 1 . . . . 11 GLU CA . 11116 1 61 . 1 1 11 11 GLU CB C 13 29.710 0.300 . 1 . . . . 11 GLU CB . 11116 1 62 . 1 1 11 11 GLU CG C 13 34.993 0.300 . 1 . . . . 11 GLU CG . 11116 1 63 . 1 1 11 11 GLU N N 15 131.570 0.300 . 1 . . . . 11 GLU N . 11116 1 64 . 1 1 12 12 LEU H H 1 8.853 0.030 . 1 . . . . 12 LEU H . 11116 1 65 . 1 1 12 12 LEU HA H 1 4.742 0.030 . 1 . . . . 12 LEU HA . 11116 1 66 . 1 1 12 12 LEU HB2 H 1 1.652 0.030 . 2 . . . . 12 LEU HB2 . 11116 1 67 . 1 1 12 12 LEU HB3 H 1 1.195 0.030 . 2 . . . . 12 LEU HB3 . 11116 1 68 . 1 1 12 12 LEU HD11 H 1 0.278 0.030 . 1 . . . . 12 LEU HD1 . 11116 1 69 . 1 1 12 12 LEU HD12 H 1 0.278 0.030 . 1 . . . . 12 LEU HD1 . 11116 1 70 . 1 1 12 12 LEU HD13 H 1 0.278 0.030 . 1 . . . . 12 LEU HD1 . 11116 1 71 . 1 1 12 12 LEU HD21 H 1 0.640 0.030 . 1 . . . . 12 LEU HD2 . 11116 1 72 . 1 1 12 12 LEU HD22 H 1 0.640 0.030 . 1 . . . . 12 LEU HD2 . 11116 1 73 . 1 1 12 12 LEU HD23 H 1 0.640 0.030 . 1 . . . . 12 LEU HD2 . 11116 1 74 . 1 1 12 12 LEU HG H 1 1.565 0.030 . 1 . . . . 12 LEU HG . 11116 1 75 . 1 1 12 12 LEU C C 13 174.807 0.300 . 1 . . . . 12 LEU C . 11116 1 76 . 1 1 12 12 LEU CA C 13 53.314 0.300 . 1 . . . . 12 LEU CA . 11116 1 77 . 1 1 12 12 LEU CB C 13 46.297 0.300 . 1 . . . . 12 LEU CB . 11116 1 78 . 1 1 12 12 LEU CD1 C 13 27.989 0.300 . 2 . . . . 12 LEU CD1 . 11116 1 79 . 1 1 12 12 LEU CD2 C 13 23.481 0.300 . 2 . . . . 12 LEU CD2 . 11116 1 80 . 1 1 12 12 LEU CG C 13 26.392 0.300 . 1 . . . . 12 LEU CG . 11116 1 81 . 1 1 12 12 LEU N N 15 127.017 0.300 . 1 . . . . 12 LEU N . 11116 1 82 . 1 1 13 13 THR H H 1 7.735 0.030 . 1 . . . . 13 THR H . 11116 1 83 . 1 1 13 13 THR HA H 1 4.674 0.030 . 1 . . . . 13 THR HA . 11116 1 84 . 1 1 13 13 THR HG21 H 1 1.215 0.030 . 1 . . . . 13 THR HG2 . 11116 1 85 . 1 1 13 13 THR HG22 H 1 1.215 0.030 . 1 . . . . 13 THR HG2 . 11116 1 86 . 1 1 13 13 THR HG23 H 1 1.215 0.030 . 1 . . . . 13 THR HG2 . 11116 1 87 . 1 1 13 13 THR C C 13 175.020 0.300 . 1 . . . . 13 THR C . 11116 1 88 . 1 1 13 13 THR CA C 13 58.825 0.300 . 1 . . . . 13 THR CA . 11116 1 89 . 1 1 13 13 THR CB C 13 73.589 0.300 . 1 . . . . 13 THR CB . 11116 1 90 . 1 1 13 13 THR CG2 C 13 21.447 0.300 . 1 . . . . 13 THR CG2 . 11116 1 91 . 1 1 13 13 THR N N 15 108.307 0.300 . 1 . . . . 13 THR N . 11116 1 92 . 1 1 14 14 ASP H H 1 8.955 0.030 . 1 . . . . 14 ASP H . 11116 1 93 . 1 1 14 14 ASP HA H 1 4.328 0.030 . 1 . . . . 14 ASP HA . 11116 1 94 . 1 1 14 14 ASP HB2 H 1 2.732 0.030 . 2 . . . . 14 ASP HB2 . 11116 1 95 . 1 1 14 14 ASP HB3 H 1 2.552 0.030 . 2 . . . . 14 ASP HB3 . 11116 1 96 . 1 1 14 14 ASP C C 13 178.497 0.300 . 1 . . . . 14 ASP C . 11116 1 97 . 1 1 14 14 ASP CA C 13 58.080 0.300 . 1 . . . . 14 ASP CA . 11116 1 98 . 1 1 14 14 ASP CB C 13 41.646 0.300 . 1 . . . . 14 ASP CB . 11116 1 99 . 1 1 14 14 ASP N N 15 121.422 0.300 . 1 . . . . 14 ASP N . 11116 1 100 . 1 1 15 15 ASP H H 1 7.989 0.030 . 1 . . . . 15 ASP H . 11116 1 101 . 1 1 15 15 ASP HA H 1 4.709 0.030 . 1 . . . . 15 ASP HA . 11116 1 102 . 1 1 15 15 ASP HB2 H 1 2.624 0.030 . 2 . . . . 15 ASP HB2 . 11116 1 103 . 1 1 15 15 ASP HB3 H 1 2.563 0.030 . 2 . . . . 15 ASP HB3 . 11116 1 104 . 1 1 15 15 ASP C C 13 176.920 0.300 . 1 . . . . 15 ASP C . 11116 1 105 . 1 1 15 15 ASP CA C 13 55.983 0.300 . 1 . . . . 15 ASP CA . 11116 1 106 . 1 1 15 15 ASP CB C 13 42.176 0.300 . 1 . . . . 15 ASP CB . 11116 1 107 . 1 1 15 15 ASP N N 15 115.494 0.300 . 1 . . . . 15 ASP N . 11116 1 108 . 1 1 16 16 SER H H 1 7.909 0.030 . 1 . . . . 16 SER H . 11116 1 109 . 1 1 16 16 SER HA H 1 4.662 0.030 . 1 . . . . 16 SER HA . 11116 1 110 . 1 1 16 16 SER HB2 H 1 3.967 0.030 . 2 . . . . 16 SER HB2 . 11116 1 111 . 1 1 16 16 SER HB3 H 1 3.777 0.030 . 2 . . . . 16 SER HB3 . 11116 1 112 . 1 1 16 16 SER C C 13 176.283 0.300 . 1 . . . . 16 SER C . 11116 1 113 . 1 1 16 16 SER CA C 13 57.977 0.300 . 1 . . . . 16 SER CA . 11116 1 114 . 1 1 16 16 SER CB C 13 65.537 0.300 . 1 . . . . 16 SER CB . 11116 1 115 . 1 1 16 16 SER N N 15 114.085 0.300 . 1 . . . . 16 SER N . 11116 1 116 . 1 1 17 17 PHE H H 1 8.616 0.030 . 1 . . . . 17 PHE H . 11116 1 117 . 1 1 17 17 PHE HA H 1 3.756 0.030 . 1 . . . . 17 PHE HA . 11116 1 118 . 1 1 17 17 PHE HB2 H 1 3.127 0.030 . 2 . . . . 17 PHE HB2 . 11116 1 119 . 1 1 17 17 PHE HB3 H 1 3.101 0.030 . 2 . . . . 17 PHE HB3 . 11116 1 120 . 1 1 17 17 PHE HD1 H 1 7.012 0.030 . 1 . . . . 17 PHE HD1 . 11116 1 121 . 1 1 17 17 PHE HD2 H 1 7.012 0.030 . 1 . . . . 17 PHE HD2 . 11116 1 122 . 1 1 17 17 PHE HE1 H 1 6.744 0.030 . 1 . . . . 17 PHE HE1 . 11116 1 123 . 1 1 17 17 PHE HE2 H 1 6.744 0.030 . 1 . . . . 17 PHE HE2 . 11116 1 124 . 1 1 17 17 PHE HZ H 1 5.905 0.030 . 1 . . . . 17 PHE HZ . 11116 1 125 . 1 1 17 17 PHE C C 13 176.879 0.300 . 1 . . . . 17 PHE C . 11116 1 126 . 1 1 17 17 PHE CA C 13 63.318 0.300 . 1 . . . . 17 PHE CA . 11116 1 127 . 1 1 17 17 PHE CB C 13 41.406 0.300 . 1 . . . . 17 PHE CB . 11116 1 128 . 1 1 17 17 PHE CD1 C 13 132.966 0.300 . 1 . . . . 17 PHE CD1 . 11116 1 129 . 1 1 17 17 PHE CD2 C 13 132.966 0.300 . 1 . . . . 17 PHE CD2 . 11116 1 130 . 1 1 17 17 PHE CE1 C 13 130.046 0.300 . 1 . . . . 17 PHE CE1 . 11116 1 131 . 1 1 17 17 PHE CE2 C 13 130.046 0.300 . 1 . . . . 17 PHE CE2 . 11116 1 132 . 1 1 17 17 PHE CZ C 13 130.004 0.300 . 1 . . . . 17 PHE CZ . 11116 1 133 . 1 1 17 17 PHE N N 15 126.011 0.300 . 1 . . . . 17 PHE N . 11116 1 134 . 1 1 18 18 ASP H H 1 9.052 0.030 . 1 . . . . 18 ASP H . 11116 1 135 . 1 1 18 18 ASP HA H 1 4.138 0.030 . 1 . . . . 18 ASP HA . 11116 1 136 . 1 1 18 18 ASP HB2 H 1 2.666 0.030 . 2 . . . . 18 ASP HB2 . 11116 1 137 . 1 1 18 18 ASP HB3 H 1 2.600 0.030 . 2 . . . . 18 ASP HB3 . 11116 1 138 . 1 1 18 18 ASP C C 13 178.699 0.300 . 1 . . . . 18 ASP C . 11116 1 139 . 1 1 18 18 ASP CA C 13 58.726 0.300 . 1 . . . . 18 ASP CA . 11116 1 140 . 1 1 18 18 ASP CB C 13 39.181 0.300 . 1 . . . . 18 ASP CB . 11116 1 141 . 1 1 18 18 ASP N N 15 120.961 0.300 . 1 . . . . 18 ASP N . 11116 1 142 . 1 1 19 19 LYS H H 1 8.221 0.030 . 1 . . . . 19 LYS H . 11116 1 143 . 1 1 19 19 LYS HA H 1 4.055 0.030 . 1 . . . . 19 LYS HA . 11116 1 144 . 1 1 19 19 LYS HB2 H 1 1.802 0.030 . 2 . . . . 19 LYS HB2 . 11116 1 145 . 1 1 19 19 LYS HB3 H 1 1.724 0.030 . 2 . . . . 19 LYS HB3 . 11116 1 146 . 1 1 19 19 LYS HD2 H 1 1.655 0.030 . 2 . . . . 19 LYS HD2 . 11116 1 147 . 1 1 19 19 LYS HE2 H 1 2.955 0.030 . 1 . . . . 19 LYS HE2 . 11116 1 148 . 1 1 19 19 LYS HE3 H 1 2.955 0.030 . 1 . . . . 19 LYS HE3 . 11116 1 149 . 1 1 19 19 LYS HG2 H 1 1.438 0.030 . 2 . . . . 19 LYS HG2 . 11116 1 150 . 1 1 19 19 LYS HG3 H 1 1.370 0.030 . 2 . . . . 19 LYS HG3 . 11116 1 151 . 1 1 19 19 LYS C C 13 176.798 0.300 . 1 . . . . 19 LYS C . 11116 1 152 . 1 1 19 19 LYS CA C 13 57.766 0.300 . 1 . . . . 19 LYS CA . 11116 1 153 . 1 1 19 19 LYS CB C 13 31.894 0.300 . 1 . . . . 19 LYS CB . 11116 1 154 . 1 1 19 19 LYS CD C 13 29.141 0.300 . 1 . . . . 19 LYS CD . 11116 1 155 . 1 1 19 19 LYS CE C 13 42.044 0.300 . 1 . . . . 19 LYS CE . 11116 1 156 . 1 1 19 19 LYS CG C 13 24.447 0.300 . 1 . . . . 19 LYS CG . 11116 1 157 . 1 1 19 19 LYS N N 15 117.046 0.300 . 1 . . . . 19 LYS N . 11116 1 158 . 1 1 20 20 ASN H H 1 6.991 0.030 . 1 . . . . 20 ASN H . 11116 1 159 . 1 1 20 20 ASN HA H 1 4.446 0.030 . 1 . . . . 20 ASN HA . 11116 1 160 . 1 1 20 20 ASN HB2 H 1 2.069 0.030 . 1 . . . . 20 ASN HB2 . 11116 1 161 . 1 1 20 20 ASN HB3 H 1 2.069 0.030 . 1 . . . . 20 ASN HB3 . 11116 1 162 . 1 1 20 20 ASN HD21 H 1 7.717 0.030 . 2 . . . . 20 ASN HD21 . 11116 1 163 . 1 1 20 20 ASN HD22 H 1 7.359 0.030 . 2 . . . . 20 ASN HD22 . 11116 1 164 . 1 1 20 20 ASN C C 13 173.646 0.300 . 1 . . . . 20 ASN C . 11116 1 165 . 1 1 20 20 ASN CA C 13 56.022 0.300 . 1 . . . . 20 ASN CA . 11116 1 166 . 1 1 20 20 ASN CB C 13 41.304 0.300 . 1 . . . . 20 ASN CB . 11116 1 167 . 1 1 20 20 ASN N N 15 115.228 0.300 . 1 . . . . 20 ASN N . 11116 1 168 . 1 1 20 20 ASN ND2 N 15 115.547 0.300 . 1 . . . . 20 ASN ND2 . 11116 1 169 . 1 1 21 21 VAL H H 1 7.607 0.030 . 1 . . . . 21 VAL H . 11116 1 170 . 1 1 21 21 VAL HA H 1 2.210 0.030 . 1 . . . . 21 VAL HA . 11116 1 171 . 1 1 21 21 VAL HB H 1 0.146 0.030 . 1 . . . . 21 VAL HB . 11116 1 172 . 1 1 21 21 VAL HG11 H 1 -0.390 0.030 . 1 . . . . 21 VAL HG1 . 11116 1 173 . 1 1 21 21 VAL HG12 H 1 -0.390 0.030 . 1 . . . . 21 VAL HG1 . 11116 1 174 . 1 1 21 21 VAL HG13 H 1 -0.390 0.030 . 1 . . . . 21 VAL HG1 . 11116 1 175 . 1 1 21 21 VAL HG21 H 1 -1.461 0.030 . 1 . . . . 21 VAL HG2 . 11116 1 176 . 1 1 21 21 VAL HG22 H 1 -1.461 0.030 . 1 . . . . 21 VAL HG2 . 11116 1 177 . 1 1 21 21 VAL HG23 H 1 -1.461 0.030 . 1 . . . . 21 VAL HG2 . 11116 1 178 . 1 1 21 21 VAL C C 13 177.465 0.300 . 1 . . . . 21 VAL C . 11116 1 179 . 1 1 21 21 VAL CA C 13 64.156 0.300 . 1 . . . . 21 VAL CA . 11116 1 180 . 1 1 21 21 VAL CB C 13 32.573 0.300 . 1 . . . . 21 VAL CB . 11116 1 181 . 1 1 21 21 VAL CG1 C 13 20.416 0.300 . 2 . . . . 21 VAL CG1 . 11116 1 182 . 1 1 21 21 VAL CG2 C 13 20.402 0.300 . 2 . . . . 21 VAL CG2 . 11116 1 183 . 1 1 21 21 VAL N N 15 114.766 0.300 . 1 . . . . 21 VAL N . 11116 1 184 . 1 1 22 22 LEU H H 1 6.970 0.030 . 1 . . . . 22 LEU H . 11116 1 185 . 1 1 22 22 LEU HA H 1 4.054 0.030 . 1 . . . . 22 LEU HA . 11116 1 186 . 1 1 22 22 LEU HB2 H 1 1.877 0.030 . 2 . . . . 22 LEU HB2 . 11116 1 187 . 1 1 22 22 LEU HB3 H 1 1.500 0.030 . 2 . . . . 22 LEU HB3 . 11116 1 188 . 1 1 22 22 LEU HD11 H 1 0.962 0.030 . 1 . . . . 22 LEU HD1 . 11116 1 189 . 1 1 22 22 LEU HD12 H 1 0.962 0.030 . 1 . . . . 22 LEU HD1 . 11116 1 190 . 1 1 22 22 LEU HD13 H 1 0.962 0.030 . 1 . . . . 22 LEU HD1 . 11116 1 191 . 1 1 22 22 LEU HD21 H 1 0.929 0.030 . 1 . . . . 22 LEU HD2 . 11116 1 192 . 1 1 22 22 LEU HD22 H 1 0.929 0.030 . 1 . . . . 22 LEU HD2 . 11116 1 193 . 1 1 22 22 LEU HD23 H 1 0.929 0.030 . 1 . . . . 22 LEU HD2 . 11116 1 194 . 1 1 22 22 LEU HG H 1 1.647 0.030 . 1 . . . . 22 LEU HG . 11116 1 195 . 1 1 22 22 LEU C C 13 178.244 0.300 . 1 . . . . 22 LEU C . 11116 1 196 . 1 1 22 22 LEU CA C 13 57.084 0.300 . 1 . . . . 22 LEU CA . 11116 1 197 . 1 1 22 22 LEU CB C 13 40.190 0.300 . 1 . . . . 22 LEU CB . 11116 1 198 . 1 1 22 22 LEU CD1 C 13 25.460 0.300 . 2 . . . . 22 LEU CD1 . 11116 1 199 . 1 1 22 22 LEU CD2 C 13 22.208 0.300 . 2 . . . . 22 LEU CD2 . 11116 1 200 . 1 1 22 22 LEU CG C 13 27.554 0.300 . 1 . . . . 22 LEU CG . 11116 1 201 . 1 1 22 22 LEU N N 15 115.882 0.300 . 1 . . . . 22 LEU N . 11116 1 202 . 1 1 23 23 ASP H H 1 8.113 0.030 . 1 . . . . 23 ASP H . 11116 1 203 . 1 1 23 23 ASP HA H 1 4.662 0.030 . 1 . . . . 23 ASP HA . 11116 1 204 . 1 1 23 23 ASP HB2 H 1 2.853 0.030 . 2 . . . . 23 ASP HB2 . 11116 1 205 . 1 1 23 23 ASP HB3 H 1 2.536 0.030 . 2 . . . . 23 ASP HB3 . 11116 1 206 . 1 1 23 23 ASP C C 13 174.949 0.300 . 1 . . . . 23 ASP C . 11116 1 207 . 1 1 23 23 ASP CA C 13 54.044 0.300 . 1 . . . . 23 ASP CA . 11116 1 208 . 1 1 23 23 ASP CB C 13 40.259 0.300 . 1 . . . . 23 ASP CB . 11116 1 209 . 1 1 23 23 ASP N N 15 118.397 0.300 . 1 . . . . 23 ASP N . 11116 1 210 . 1 1 24 24 SER H H 1 7.108 0.030 . 1 . . . . 24 SER H . 11116 1 211 . 1 1 24 24 SER HA H 1 4.490 0.030 . 1 . . . . 24 SER HA . 11116 1 212 . 1 1 24 24 SER HB2 H 1 4.318 0.030 . 2 . . . . 24 SER HB2 . 11116 1 213 . 1 1 24 24 SER HB3 H 1 3.946 0.030 . 2 . . . . 24 SER HB3 . 11116 1 214 . 1 1 24 24 SER C C 13 175.657 0.300 . 1 . . . . 24 SER C . 11116 1 215 . 1 1 24 24 SER CA C 13 57.684 0.300 . 1 . . . . 24 SER CA . 11116 1 216 . 1 1 24 24 SER CB C 13 65.425 0.300 . 1 . . . . 24 SER CB . 11116 1 217 . 1 1 24 24 SER N N 15 112.125 0.300 . 1 . . . . 24 SER N . 11116 1 218 . 1 1 25 25 GLU H H 1 8.954 0.030 . 1 . . . . 25 GLU H . 11116 1 219 . 1 1 25 25 GLU HA H 1 4.469 0.030 . 1 . . . . 25 GLU HA . 11116 1 220 . 1 1 25 25 GLU HB2 H 1 2.302 0.030 . 2 . . . . 25 GLU HB2 . 11116 1 221 . 1 1 25 25 GLU HB3 H 1 1.911 0.030 . 2 . . . . 25 GLU HB3 . 11116 1 222 . 1 1 25 25 GLU HG2 H 1 2.394 0.030 . 2 . . . . 25 GLU HG2 . 11116 1 223 . 1 1 25 25 GLU HG3 H 1 2.300 0.030 . 2 . . . . 25 GLU HG3 . 11116 1 224 . 1 1 25 25 GLU C C 13 176.718 0.300 . 1 . . . . 25 GLU C . 11116 1 225 . 1 1 25 25 GLU CA C 13 56.656 0.300 . 1 . . . . 25 GLU CA . 11116 1 226 . 1 1 25 25 GLU CB C 13 30.007 0.300 . 1 . . . . 25 GLU CB . 11116 1 227 . 1 1 25 25 GLU CG C 13 36.399 0.300 . 1 . . . . 25 GLU CG . 11116 1 228 . 1 1 25 25 GLU N N 15 124.142 0.300 . 1 . . . . 25 GLU N . 11116 1 229 . 1 1 26 26 ASP H H 1 8.340 0.030 . 1 . . . . 26 ASP H . 11116 1 230 . 1 1 26 26 ASP HA H 1 4.957 0.030 . 1 . . . . 26 ASP HA . 11116 1 231 . 1 1 26 26 ASP HB2 H 1 2.449 0.030 . 2 . . . . 26 ASP HB2 . 11116 1 232 . 1 1 26 26 ASP HB3 H 1 2.129 0.030 . 2 . . . . 26 ASP HB3 . 11116 1 233 . 1 1 26 26 ASP C C 13 174.980 0.300 . 1 . . . . 26 ASP C . 11116 1 234 . 1 1 26 26 ASP CA C 13 53.912 0.300 . 1 . . . . 26 ASP CA . 11116 1 235 . 1 1 26 26 ASP CB C 13 42.159 0.300 . 1 . . . . 26 ASP CB . 11116 1 236 . 1 1 26 26 ASP N N 15 120.957 0.300 . 1 . . . . 26 ASP N . 11116 1 237 . 1 1 27 27 VAL H H 1 8.260 0.030 . 1 . . . . 27 VAL H . 11116 1 238 . 1 1 27 27 VAL HA H 1 4.545 0.030 . 1 . . . . 27 VAL HA . 11116 1 239 . 1 1 27 27 VAL HB H 1 2.076 0.030 . 1 . . . . 27 VAL HB . 11116 1 240 . 1 1 27 27 VAL HG11 H 1 0.976 0.030 . 1 . . . . 27 VAL HG1 . 11116 1 241 . 1 1 27 27 VAL HG12 H 1 0.976 0.030 . 1 . . . . 27 VAL HG1 . 11116 1 242 . 1 1 27 27 VAL HG13 H 1 0.976 0.030 . 1 . . . . 27 VAL HG1 . 11116 1 243 . 1 1 27 27 VAL HG21 H 1 1.119 0.030 . 1 . . . . 27 VAL HG2 . 11116 1 244 . 1 1 27 27 VAL HG22 H 1 1.119 0.030 . 1 . . . . 27 VAL HG2 . 11116 1 245 . 1 1 27 27 VAL HG23 H 1 1.119 0.030 . 1 . . . . 27 VAL HG2 . 11116 1 246 . 1 1 27 27 VAL C C 13 174.959 0.300 . 1 . . . . 27 VAL C . 11116 1 247 . 1 1 27 27 VAL CA C 13 62.299 0.300 . 1 . . . . 27 VAL CA . 11116 1 248 . 1 1 27 27 VAL CB C 13 33.190 0.300 . 1 . . . . 27 VAL CB . 11116 1 249 . 1 1 27 27 VAL CG1 C 13 22.388 0.300 . 2 . . . . 27 VAL CG1 . 11116 1 250 . 1 1 27 27 VAL CG2 C 13 21.901 0.300 . 2 . . . . 27 VAL CG2 . 11116 1 251 . 1 1 27 27 VAL N N 15 121.295 0.300 . 1 . . . . 27 VAL N . 11116 1 252 . 1 1 28 28 TRP H H 1 8.859 0.030 . 1 . . . . 28 TRP H . 11116 1 253 . 1 1 28 28 TRP HA H 1 5.282 0.030 . 1 . . . . 28 TRP HA . 11116 1 254 . 1 1 28 28 TRP HB2 H 1 2.935 0.030 . 2 . . . . 28 TRP HB2 . 11116 1 255 . 1 1 28 28 TRP HB3 H 1 2.785 0.030 . 2 . . . . 28 TRP HB3 . 11116 1 256 . 1 1 28 28 TRP HD1 H 1 7.227 0.030 . 1 . . . . 28 TRP HD1 . 11116 1 257 . 1 1 28 28 TRP HE1 H 1 9.631 0.030 . 1 . . . . 28 TRP HE1 . 11116 1 258 . 1 1 28 28 TRP HE3 H 1 6.902 0.030 . 1 . . . . 28 TRP HE3 . 11116 1 259 . 1 1 28 28 TRP HH2 H 1 7.003 0.030 . 1 . . . . 28 TRP HH2 . 11116 1 260 . 1 1 28 28 TRP HZ2 H 1 7.355 0.030 . 1 . . . . 28 TRP HZ2 . 11116 1 261 . 1 1 28 28 TRP HZ3 H 1 6.605 0.030 . 1 . . . . 28 TRP HZ3 . 11116 1 262 . 1 1 28 28 TRP C C 13 175.849 0.300 . 1 . . . . 28 TRP C . 11116 1 263 . 1 1 28 28 TRP CA C 13 55.773 0.300 . 1 . . . . 28 TRP CA . 11116 1 264 . 1 1 28 28 TRP CB C 13 31.178 0.300 . 1 . . . . 28 TRP CB . 11116 1 265 . 1 1 28 28 TRP CD1 C 13 127.050 0.300 . 1 . . . . 28 TRP CD1 . 11116 1 266 . 1 1 28 28 TRP CE3 C 13 118.807 0.300 . 1 . . . . 28 TRP CE3 . 11116 1 267 . 1 1 28 28 TRP CH2 C 13 123.219 0.300 . 1 . . . . 28 TRP CH2 . 11116 1 268 . 1 1 28 28 TRP CZ2 C 13 115.933 0.300 . 1 . . . . 28 TRP CZ2 . 11116 1 269 . 1 1 28 28 TRP CZ3 C 13 120.970 0.300 . 1 . . . . 28 TRP CZ3 . 11116 1 270 . 1 1 28 28 TRP N N 15 125.260 0.300 . 1 . . . . 28 TRP N . 11116 1 271 . 1 1 28 28 TRP NE1 N 15 128.901 0.300 . 1 . . . . 28 TRP NE1 . 11116 1 272 . 1 1 29 29 MET H H 1 9.350 0.030 . 1 . . . . 29 MET H . 11116 1 273 . 1 1 29 29 MET HA H 1 5.288 0.030 . 1 . . . . 29 MET HA . 11116 1 274 . 1 1 29 29 MET HB2 H 1 2.087 0.030 . 2 . . . . 29 MET HB2 . 11116 1 275 . 1 1 29 29 MET HB3 H 1 2.022 0.030 . 2 . . . . 29 MET HB3 . 11116 1 276 . 1 1 29 29 MET HE1 H 1 1.638 0.030 . 1 . . . . 29 MET HE . 11116 1 277 . 1 1 29 29 MET HE2 H 1 1.638 0.030 . 1 . . . . 29 MET HE . 11116 1 278 . 1 1 29 29 MET HE3 H 1 1.638 0.030 . 1 . . . . 29 MET HE . 11116 1 279 . 1 1 29 29 MET HG2 H 1 2.261 0.030 . 1 . . . . 29 MET HG2 . 11116 1 280 . 1 1 29 29 MET HG3 H 1 2.261 0.030 . 1 . . . . 29 MET HG3 . 11116 1 281 . 1 1 29 29 MET C C 13 174.626 0.300 . 1 . . . . 29 MET C . 11116 1 282 . 1 1 29 29 MET CA C 13 55.303 0.300 . 1 . . . . 29 MET CA . 11116 1 283 . 1 1 29 29 MET CB C 13 34.935 0.300 . 1 . . . . 29 MET CB . 11116 1 284 . 1 1 29 29 MET CE C 13 15.665 0.300 . 1 . . . . 29 MET CE . 11116 1 285 . 1 1 29 29 MET CG C 13 31.936 0.300 . 1 . . . . 29 MET CG . 11116 1 286 . 1 1 29 29 MET N N 15 122.595 0.300 . 1 . . . . 29 MET N . 11116 1 287 . 1 1 30 30 VAL H H 1 9.856 0.030 . 1 . . . . 30 VAL H . 11116 1 288 . 1 1 30 30 VAL HA H 1 4.570 0.030 . 1 . . . . 30 VAL HA . 11116 1 289 . 1 1 30 30 VAL HB H 1 2.242 0.030 . 1 . . . . 30 VAL HB . 11116 1 290 . 1 1 30 30 VAL HG11 H 1 0.266 0.030 . 1 . . . . 30 VAL HG1 . 11116 1 291 . 1 1 30 30 VAL HG12 H 1 0.266 0.030 . 1 . . . . 30 VAL HG1 . 11116 1 292 . 1 1 30 30 VAL HG13 H 1 0.266 0.030 . 1 . . . . 30 VAL HG1 . 11116 1 293 . 1 1 30 30 VAL HG21 H 1 0.980 0.030 . 1 . . . . 30 VAL HG2 . 11116 1 294 . 1 1 30 30 VAL HG22 H 1 0.980 0.030 . 1 . . . . 30 VAL HG2 . 11116 1 295 . 1 1 30 30 VAL HG23 H 1 0.980 0.030 . 1 . . . . 30 VAL HG2 . 11116 1 296 . 1 1 30 30 VAL C C 13 173.473 0.300 . 1 . . . . 30 VAL C . 11116 1 297 . 1 1 30 30 VAL CA C 13 61.535 0.300 . 1 . . . . 30 VAL CA . 11116 1 298 . 1 1 30 30 VAL CB C 13 34.830 0.300 . 1 . . . . 30 VAL CB . 11116 1 299 . 1 1 30 30 VAL CG1 C 13 22.208 0.300 . 2 . . . . 30 VAL CG1 . 11116 1 300 . 1 1 30 30 VAL CG2 C 13 21.352 0.300 . 2 . . . . 30 VAL CG2 . 11116 1 301 . 1 1 30 30 VAL N N 15 123.928 0.300 . 1 . . . . 30 VAL N . 11116 1 302 . 1 1 31 31 GLU H H 1 8.605 0.030 . 1 . . . . 31 GLU H . 11116 1 303 . 1 1 31 31 GLU HA H 1 4.377 0.030 . 1 . . . . 31 GLU HA . 11116 1 304 . 1 1 31 31 GLU HB2 H 1 1.790 0.030 . 2 . . . . 31 GLU HB2 . 11116 1 305 . 1 1 31 31 GLU HB3 H 1 0.101 0.030 . 2 . . . . 31 GLU HB3 . 11116 1 306 . 1 1 31 31 GLU HG2 H 1 1.492 0.030 . 1 . . . . 31 GLU HG2 . 11116 1 307 . 1 1 31 31 GLU HG3 H 1 1.492 0.030 . 1 . . . . 31 GLU HG3 . 11116 1 308 . 1 1 31 31 GLU C C 13 173.937 0.300 . 1 . . . . 31 GLU C . 11116 1 309 . 1 1 31 31 GLU CA C 13 54.632 0.300 . 1 . . . . 31 GLU CA . 11116 1 310 . 1 1 31 31 GLU CB C 13 26.342 0.300 . 1 . . . . 31 GLU CB . 11116 1 311 . 1 1 31 31 GLU CG C 13 30.811 0.300 . 1 . . . . 31 GLU CG . 11116 1 312 . 1 1 31 31 GLU N N 15 128.552 0.300 . 1 . . . . 31 GLU N . 11116 1 313 . 1 1 32 32 PHE H H 1 9.899 0.030 . 1 . . . . 32 PHE H . 11116 1 314 . 1 1 32 32 PHE HA H 1 5.524 0.030 . 1 . . . . 32 PHE HA . 11116 1 315 . 1 1 32 32 PHE HB2 H 1 3.419 0.030 . 2 . . . . 32 PHE HB2 . 11116 1 316 . 1 1 32 32 PHE HB3 H 1 2.733 0.030 . 2 . . . . 32 PHE HB3 . 11116 1 317 . 1 1 32 32 PHE HD1 H 1 7.191 0.030 . 1 . . . . 32 PHE HD1 . 11116 1 318 . 1 1 32 32 PHE HD2 H 1 7.191 0.030 . 1 . . . . 32 PHE HD2 . 11116 1 319 . 1 1 32 32 PHE HE1 H 1 6.986 0.030 . 1 . . . . 32 PHE HE1 . 11116 1 320 . 1 1 32 32 PHE HE2 H 1 6.986 0.030 . 1 . . . . 32 PHE HE2 . 11116 1 321 . 1 1 32 32 PHE HZ H 1 6.858 0.030 . 1 . . . . 32 PHE HZ . 11116 1 322 . 1 1 32 32 PHE C C 13 175.169 0.300 . 1 . . . . 32 PHE C . 11116 1 323 . 1 1 32 32 PHE CA C 13 57.175 0.300 . 1 . . . . 32 PHE CA . 11116 1 324 . 1 1 32 32 PHE CB C 13 39.766 0.300 . 1 . . . . 32 PHE CB . 11116 1 325 . 1 1 32 32 PHE CD1 C 13 132.578 0.300 . 1 . . . . 32 PHE CD1 . 11116 1 326 . 1 1 32 32 PHE CD2 C 13 132.578 0.300 . 1 . . . . 32 PHE CD2 . 11116 1 327 . 1 1 32 32 PHE CE1 C 13 129.754 0.300 . 1 . . . . 32 PHE CE1 . 11116 1 328 . 1 1 32 32 PHE CE2 C 13 129.754 0.300 . 1 . . . . 32 PHE CE2 . 11116 1 329 . 1 1 32 32 PHE CZ C 13 128.636 0.300 . 1 . . . . 32 PHE CZ . 11116 1 330 . 1 1 32 32 PHE N N 15 129.440 0.300 . 1 . . . . 32 PHE N . 11116 1 331 . 1 1 33 33 TYR H H 1 8.929 0.030 . 1 . . . . 33 TYR H . 11116 1 332 . 1 1 33 33 TYR HA H 1 5.346 0.030 . 1 . . . . 33 TYR HA . 11116 1 333 . 1 1 33 33 TYR HB2 H 1 2.734 0.030 . 2 . . . . 33 TYR HB2 . 11116 1 334 . 1 1 33 33 TYR HB3 H 1 2.526 0.030 . 2 . . . . 33 TYR HB3 . 11116 1 335 . 1 1 33 33 TYR HD1 H 1 6.439 0.030 . 1 . . . . 33 TYR HD1 . 11116 1 336 . 1 1 33 33 TYR HD2 H 1 6.439 0.030 . 1 . . . . 33 TYR HD2 . 11116 1 337 . 1 1 33 33 TYR HE1 H 1 6.514 0.030 . 1 . . . . 33 TYR HE1 . 11116 1 338 . 1 1 33 33 TYR HE2 H 1 6.514 0.030 . 1 . . . . 33 TYR HE2 . 11116 1 339 . 1 1 33 33 TYR C C 13 171.199 0.300 . 1 . . . . 33 TYR C . 11116 1 340 . 1 1 33 33 TYR CA C 13 55.081 0.300 . 1 . . . . 33 TYR CA . 11116 1 341 . 1 1 33 33 TYR CB C 13 43.090 0.300 . 1 . . . . 33 TYR CB . 11116 1 342 . 1 1 33 33 TYR CD1 C 13 132.816 0.300 . 1 . . . . 33 TYR CD1 . 11116 1 343 . 1 1 33 33 TYR CD2 C 13 132.816 0.300 . 1 . . . . 33 TYR CD2 . 11116 1 344 . 1 1 33 33 TYR CE1 C 13 117.808 0.300 . 1 . . . . 33 TYR CE1 . 11116 1 345 . 1 1 33 33 TYR CE2 C 13 117.808 0.300 . 1 . . . . 33 TYR CE2 . 11116 1 346 . 1 1 33 33 TYR N N 15 120.678 0.300 . 1 . . . . 33 TYR N . 11116 1 347 . 1 1 34 34 ALA H H 1 7.274 0.030 . 1 . . . . 34 ALA H . 11116 1 348 . 1 1 34 34 ALA HA H 1 4.308 0.030 . 1 . . . . 34 ALA HA . 11116 1 349 . 1 1 34 34 ALA HB1 H 1 -0.790 0.030 . 1 . . . . 34 ALA HB . 11116 1 350 . 1 1 34 34 ALA HB2 H 1 -0.790 0.030 . 1 . . . . 34 ALA HB . 11116 1 351 . 1 1 34 34 ALA HB3 H 1 -0.790 0.030 . 1 . . . . 34 ALA HB . 11116 1 352 . 1 1 34 34 ALA C C 13 176.834 0.300 . 1 . . . . 34 ALA C . 11116 1 353 . 1 1 34 34 ALA CA C 13 47.824 0.300 . 1 . . . . 34 ALA CA . 11116 1 354 . 1 1 34 34 ALA CB C 13 19.392 0.300 . 1 . . . . 34 ALA CB . 11116 1 355 . 1 1 34 34 ALA N N 15 119.905 0.300 . 1 . . . . 34 ALA N . 11116 1 356 . 1 1 35 35 PRO HA H 1 4.332 0.030 . 1 . . . . 35 PRO HA . 11116 1 357 . 1 1 35 35 PRO HB2 H 1 2.355 0.030 . 2 . . . . 35 PRO HB2 . 11116 1 358 . 1 1 35 35 PRO HB3 H 1 2.025 0.030 . 2 . . . . 35 PRO HB3 . 11116 1 359 . 1 1 35 35 PRO HD2 H 1 3.543 0.030 . 2 . . . . 35 PRO HD2 . 11116 1 360 . 1 1 35 35 PRO HD3 H 1 3.220 0.030 . 2 . . . . 35 PRO HD3 . 11116 1 361 . 1 1 35 35 PRO HG2 H 1 2.158 0.030 . 2 . . . . 35 PRO HG2 . 11116 1 362 . 1 1 35 35 PRO HG3 H 1 2.078 0.030 . 2 . . . . 35 PRO HG3 . 11116 1 363 . 1 1 35 35 PRO C C 13 175.672 0.300 . 1 . . . . 35 PRO C . 11116 1 364 . 1 1 35 35 PRO CA C 13 64.429 0.300 . 1 . . . . 35 PRO CA . 11116 1 365 . 1 1 35 35 PRO CB C 13 32.033 0.300 . 1 . . . . 35 PRO CB . 11116 1 366 . 1 1 35 35 PRO CD C 13 51.264 0.300 . 1 . . . . 35 PRO CD . 11116 1 367 . 1 1 35 35 PRO CG C 13 27.654 0.300 . 1 . . . . 35 PRO CG . 11116 1 368 . 1 1 36 36 TRP H H 1 5.941 0.030 . 1 . . . . 36 TRP H . 11116 1 369 . 1 1 36 36 TRP HA H 1 4.593 0.030 . 1 . . . . 36 TRP HA . 11116 1 370 . 1 1 36 36 TRP HB2 H 1 3.593 0.030 . 2 . . . . 36 TRP HB2 . 11116 1 371 . 1 1 36 36 TRP HB3 H 1 3.193 0.030 . 2 . . . . 36 TRP HB3 . 11116 1 372 . 1 1 36 36 TRP HD1 H 1 7.328 0.030 . 1 . . . . 36 TRP HD1 . 11116 1 373 . 1 1 36 36 TRP HE1 H 1 10.329 0.030 . 1 . . . . 36 TRP HE1 . 11116 1 374 . 1 1 36 36 TRP HE3 H 1 7.379 0.030 . 1 . . . . 36 TRP HE3 . 11116 1 375 . 1 1 36 36 TRP HH2 H 1 7.400 0.030 . 1 . . . . 36 TRP HH2 . 11116 1 376 . 1 1 36 36 TRP HZ2 H 1 7.474 0.030 . 1 . . . . 36 TRP HZ2 . 11116 1 377 . 1 1 36 36 TRP HZ3 H 1 7.288 0.030 . 1 . . . . 36 TRP HZ3 . 11116 1 378 . 1 1 36 36 TRP C C 13 175.950 0.300 . 1 . . . . 36 TRP C . 11116 1 379 . 1 1 36 36 TRP CA C 13 53.920 0.300 . 1 . . . . 36 TRP CA . 11116 1 380 . 1 1 36 36 TRP CB C 13 29.264 0.300 . 1 . . . . 36 TRP CB . 11116 1 381 . 1 1 36 36 TRP CD1 C 13 128.363 0.300 . 1 . . . . 36 TRP CD1 . 11116 1 382 . 1 1 36 36 TRP CE3 C 13 120.861 0.300 . 1 . . . . 36 TRP CE3 . 11116 1 383 . 1 1 36 36 TRP CH2 C 13 125.633 0.300 . 1 . . . . 36 TRP CH2 . 11116 1 384 . 1 1 36 36 TRP CZ2 C 13 114.995 0.300 . 1 . . . . 36 TRP CZ2 . 11116 1 385 . 1 1 36 36 TRP CZ3 C 13 122.396 0.300 . 1 . . . . 36 TRP CZ3 . 11116 1 386 . 1 1 36 36 TRP N N 15 110.012 0.300 . 1 . . . . 36 TRP N . 11116 1 387 . 1 1 36 36 TRP NE1 N 15 130.750 0.300 . 1 . . . . 36 TRP NE1 . 11116 1 388 . 1 1 37 37 CYS H H 1 6.670 0.030 . 1 . . . . 37 CYS H . 11116 1 389 . 1 1 37 37 CYS HA H 1 4.415 0.030 . 1 . . . . 37 CYS HA . 11116 1 390 . 1 1 37 37 CYS HB2 H 1 2.681 0.030 . 2 . . . . 37 CYS HB2 . 11116 1 391 . 1 1 37 37 CYS HB3 H 1 2.270 0.030 . 2 . . . . 37 CYS HB3 . 11116 1 392 . 1 1 37 37 CYS C C 13 177.884 0.300 . 1 . . . . 37 CYS C . 11116 1 393 . 1 1 37 37 CYS CA C 13 59.940 0.300 . 1 . . . . 37 CYS CA . 11116 1 394 . 1 1 37 37 CYS CB C 13 30.047 0.300 . 1 . . . . 37 CYS CB . 11116 1 395 . 1 1 37 37 CYS N N 15 126.417 0.300 . 1 . . . . 37 CYS N . 11116 1 396 . 1 1 38 38 GLY HA2 H 1 3.957 0.030 . 2 . . . . 38 GLY HA2 . 11116 1 397 . 1 1 38 38 GLY HA3 H 1 3.820 0.030 . 2 . . . . 38 GLY HA3 . 11116 1 398 . 1 1 38 38 GLY C C 13 176.905 0.300 . 1 . . . . 38 GLY C . 11116 1 399 . 1 1 38 38 GLY CA C 13 47.515 0.300 . 1 . . . . 38 GLY CA . 11116 1 400 . 1 1 39 39 HIS H H 1 9.407 0.030 . 1 . . . . 39 HIS H . 11116 1 401 . 1 1 39 39 HIS HA H 1 4.674 0.030 . 1 . . . . 39 HIS HA . 11116 1 402 . 1 1 39 39 HIS HB2 H 1 3.443 0.030 . 2 . . . . 39 HIS HB2 . 11116 1 403 . 1 1 39 39 HIS HB3 H 1 3.031 0.030 . 2 . . . . 39 HIS HB3 . 11116 1 404 . 1 1 39 39 HIS HD2 H 1 7.311 0.030 . 1 . . . . 39 HIS HD2 . 11116 1 405 . 1 1 39 39 HIS HE1 H 1 7.823 0.030 . 1 . . . . 39 HIS HE1 . 11116 1 406 . 1 1 39 39 HIS C C 13 180.872 0.300 . 1 . . . . 39 HIS C . 11116 1 407 . 1 1 39 39 HIS CA C 13 59.403 0.300 . 1 . . . . 39 HIS CA . 11116 1 408 . 1 1 39 39 HIS CB C 13 31.061 0.300 . 1 . . . . 39 HIS CB . 11116 1 409 . 1 1 39 39 HIS CD2 C 13 119.691 0.300 . 1 . . . . 39 HIS CD2 . 11116 1 410 . 1 1 39 39 HIS CE1 C 13 139.358 0.300 . 1 . . . . 39 HIS CE1 . 11116 1 411 . 1 1 39 39 HIS N N 15 126.781 0.300 . 1 . . . . 39 HIS N . 11116 1 412 . 1 1 40 40 CYS H H 1 9.847 0.030 . 1 . . . . 40 CYS H . 11116 1 413 . 1 1 40 40 CYS HA H 1 3.999 0.030 . 1 . . . . 40 CYS HA . 11116 1 414 . 1 1 40 40 CYS HB2 H 1 3.549 0.030 . 2 . . . . 40 CYS HB2 . 11116 1 415 . 1 1 40 40 CYS HB3 H 1 2.737 0.030 . 2 . . . . 40 CYS HB3 . 11116 1 416 . 1 1 40 40 CYS C C 13 178.122 0.300 . 1 . . . . 40 CYS C . 11116 1 417 . 1 1 40 40 CYS CA C 13 64.540 0.300 . 1 . . . . 40 CYS CA . 11116 1 418 . 1 1 40 40 CYS CB C 13 28.679 0.300 . 1 . . . . 40 CYS CB . 11116 1 419 . 1 1 40 40 CYS N N 15 128.989 0.300 . 1 . . . . 40 CYS N . 11116 1 420 . 1 1 41 41 LYS H H 1 8.658 0.030 . 1 . . . . 41 LYS H . 11116 1 421 . 1 1 41 41 LYS HA H 1 4.052 0.030 . 1 . . . . 41 LYS HA . 11116 1 422 . 1 1 41 41 LYS HB2 H 1 1.902 0.030 . 1 . . . . 41 LYS HB2 . 11116 1 423 . 1 1 41 41 LYS HB3 H 1 1.902 0.030 . 1 . . . . 41 LYS HB3 . 11116 1 424 . 1 1 41 41 LYS HD2 H 1 1.655 0.030 . 2 . . . . 41 LYS HD2 . 11116 1 425 . 1 1 41 41 LYS HE2 H 1 2.954 0.030 . 1 . . . . 41 LYS HE2 . 11116 1 426 . 1 1 41 41 LYS HE3 H 1 2.954 0.030 . 1 . . . . 41 LYS HE3 . 11116 1 427 . 1 1 41 41 LYS HG2 H 1 1.520 0.030 . 2 . . . . 41 LYS HG2 . 11116 1 428 . 1 1 41 41 LYS HG3 H 1 1.457 0.030 . 2 . . . . 41 LYS HG3 . 11116 1 429 . 1 1 41 41 LYS C C 13 179.163 0.300 . 1 . . . . 41 LYS C . 11116 1 430 . 1 1 41 41 LYS CA C 13 59.421 0.300 . 1 . . . . 41 LYS CA . 11116 1 431 . 1 1 41 41 LYS CB C 13 31.552 0.300 . 1 . . . . 41 LYS CB . 11116 1 432 . 1 1 41 41 LYS CD C 13 28.901 0.300 . 1 . . . . 41 LYS CD . 11116 1 433 . 1 1 41 41 LYS CE C 13 42.044 0.300 . 1 . . . . 41 LYS CE . 11116 1 434 . 1 1 41 41 LYS CG C 13 24.654 0.300 . 1 . . . . 41 LYS CG . 11116 1 435 . 1 1 41 41 LYS N N 15 123.808 0.300 . 1 . . . . 41 LYS N . 11116 1 436 . 1 1 42 42 ASN H H 1 7.746 0.030 . 1 . . . . 42 ASN H . 11116 1 437 . 1 1 42 42 ASN HA H 1 4.549 0.030 . 1 . . . . 42 ASN HA . 11116 1 438 . 1 1 42 42 ASN HB2 H 1 2.973 0.030 . 2 . . . . 42 ASN HB2 . 11116 1 439 . 1 1 42 42 ASN HB3 H 1 2.899 0.030 . 2 . . . . 42 ASN HB3 . 11116 1 440 . 1 1 42 42 ASN HD21 H 1 7.818 0.030 . 2 . . . . 42 ASN HD21 . 11116 1 441 . 1 1 42 42 ASN HD22 H 1 6.826 0.030 . 2 . . . . 42 ASN HD22 . 11116 1 442 . 1 1 42 42 ASN C C 13 176.900 0.300 . 1 . . . . 42 ASN C . 11116 1 443 . 1 1 42 42 ASN CA C 13 55.488 0.300 . 1 . . . . 42 ASN CA . 11116 1 444 . 1 1 42 42 ASN CB C 13 38.206 0.300 . 1 . . . . 42 ASN CB . 11116 1 445 . 1 1 42 42 ASN N N 15 117.183 0.300 . 1 . . . . 42 ASN N . 11116 1 446 . 1 1 42 42 ASN ND2 N 15 111.859 0.300 . 1 . . . . 42 ASN ND2 . 11116 1 447 . 1 1 43 43 LEU H H 1 7.582 0.030 . 1 . . . . 43 LEU H . 11116 1 448 . 1 1 43 43 LEU HA H 1 4.441 0.030 . 1 . . . . 43 LEU HA . 11116 1 449 . 1 1 43 43 LEU HB2 H 1 1.870 0.030 . 2 . . . . 43 LEU HB2 . 11116 1 450 . 1 1 43 43 LEU HB3 H 1 1.653 0.030 . 2 . . . . 43 LEU HB3 . 11116 1 451 . 1 1 43 43 LEU HD11 H 1 1.098 0.030 . 1 . . . . 43 LEU HD1 . 11116 1 452 . 1 1 43 43 LEU HD12 H 1 1.098 0.030 . 1 . . . . 43 LEU HD1 . 11116 1 453 . 1 1 43 43 LEU HD13 H 1 1.098 0.030 . 1 . . . . 43 LEU HD1 . 11116 1 454 . 1 1 43 43 LEU HD21 H 1 0.723 0.030 . 1 . . . . 43 LEU HD2 . 11116 1 455 . 1 1 43 43 LEU HD22 H 1 0.723 0.030 . 1 . . . . 43 LEU HD2 . 11116 1 456 . 1 1 43 43 LEU HD23 H 1 0.723 0.030 . 1 . . . . 43 LEU HD2 . 11116 1 457 . 1 1 43 43 LEU HG H 1 1.664 0.030 . 1 . . . . 43 LEU HG . 11116 1 458 . 1 1 43 43 LEU C C 13 177.365 0.300 . 1 . . . . 43 LEU C . 11116 1 459 . 1 1 43 43 LEU CA C 13 55.969 0.300 . 1 . . . . 43 LEU CA . 11116 1 460 . 1 1 43 43 LEU CB C 13 42.426 0.300 . 1 . . . . 43 LEU CB . 11116 1 461 . 1 1 43 43 LEU CD1 C 13 23.788 0.300 . 2 . . . . 43 LEU CD1 . 11116 1 462 . 1 1 43 43 LEU CD2 C 13 27.081 0.300 . 2 . . . . 43 LEU CD2 . 11116 1 463 . 1 1 43 43 LEU CG C 13 27.474 0.300 . 1 . . . . 43 LEU CG . 11116 1 464 . 1 1 43 43 LEU N N 15 118.603 0.300 . 1 . . . . 43 LEU N . 11116 1 465 . 1 1 44 44 GLU H H 1 7.684 0.030 . 1 . . . . 44 GLU H . 11116 1 466 . 1 1 44 44 GLU HA H 1 4.066 0.030 . 1 . . . . 44 GLU HA . 11116 1 467 . 1 1 44 44 GLU HB2 H 1 2.306 0.030 . 2 . . . . 44 GLU HB2 . 11116 1 468 . 1 1 44 44 GLU HB3 H 1 2.085 0.030 . 2 . . . . 44 GLU HB3 . 11116 1 469 . 1 1 44 44 GLU HG2 H 1 2.272 0.030 . 2 . . . . 44 GLU HG2 . 11116 1 470 . 1 1 44 44 GLU HG3 H 1 2.082 0.030 . 2 . . . . 44 GLU HG3 . 11116 1 471 . 1 1 44 44 GLU C C 13 175.056 0.300 . 1 . . . . 44 GLU C . 11116 1 472 . 1 1 44 44 GLU CA C 13 62.265 0.300 . 1 . . . . 44 GLU CA . 11116 1 473 . 1 1 44 44 GLU CB C 13 27.456 0.300 . 1 . . . . 44 GLU CB . 11116 1 474 . 1 1 44 44 GLU CG C 13 36.037 0.300 . 1 . . . . 44 GLU CG . 11116 1 475 . 1 1 44 44 GLU N N 15 120.651 0.300 . 1 . . . . 44 GLU N . 11116 1 476 . 1 1 45 45 PRO HA H 1 4.569 0.030 . 1 . . . . 45 PRO HA . 11116 1 477 . 1 1 45 45 PRO HB2 H 1 2.342 0.030 . 2 . . . . 45 PRO HB2 . 11116 1 478 . 1 1 45 45 PRO HB3 H 1 1.958 0.030 . 2 . . . . 45 PRO HB3 . 11116 1 479 . 1 1 45 45 PRO HD2 H 1 4.089 0.030 . 2 . . . . 45 PRO HD2 . 11116 1 480 . 1 1 45 45 PRO HD3 H 1 3.766 0.030 . 2 . . . . 45 PRO HD3 . 11116 1 481 . 1 1 45 45 PRO HG2 H 1 2.183 0.030 . 2 . . . . 45 PRO HG2 . 11116 1 482 . 1 1 45 45 PRO HG3 H 1 2.144 0.030 . 2 . . . . 45 PRO HG3 . 11116 1 483 . 1 1 45 45 PRO C C 13 180.323 0.300 . 1 . . . . 45 PRO C . 11116 1 484 . 1 1 45 45 PRO CA C 13 65.596 0.300 . 1 . . . . 45 PRO CA . 11116 1 485 . 1 1 45 45 PRO CB C 13 30.975 0.300 . 1 . . . . 45 PRO CB . 11116 1 486 . 1 1 45 45 PRO CD C 13 50.052 0.300 . 1 . . . . 45 PRO CD . 11116 1 487 . 1 1 45 45 PRO CG C 13 28.386 0.300 . 1 . . . . 45 PRO CG . 11116 1 488 . 1 1 46 46 GLU H H 1 7.231 0.030 . 1 . . . . 46 GLU H . 11116 1 489 . 1 1 46 46 GLU HA H 1 4.168 0.030 . 1 . . . . 46 GLU HA . 11116 1 490 . 1 1 46 46 GLU HB2 H 1 2.397 0.030 . 2 . . . . 46 GLU HB2 . 11116 1 491 . 1 1 46 46 GLU HB3 H 1 2.092 0.030 . 2 . . . . 46 GLU HB3 . 11116 1 492 . 1 1 46 46 GLU HG2 H 1 2.762 0.030 . 2 . . . . 46 GLU HG2 . 11116 1 493 . 1 1 46 46 GLU HG3 H 1 2.476 0.030 . 2 . . . . 46 GLU HG3 . 11116 1 494 . 1 1 46 46 GLU C C 13 177.749 0.300 . 1 . . . . 46 GLU C . 11116 1 495 . 1 1 46 46 GLU CA C 13 58.190 0.300 . 1 . . . . 46 GLU CA . 11116 1 496 . 1 1 46 46 GLU CB C 13 29.808 0.300 . 1 . . . . 46 GLU CB . 11116 1 497 . 1 1 46 46 GLU CG C 13 35.867 0.300 . 1 . . . . 46 GLU CG . 11116 1 498 . 1 1 46 46 GLU N N 15 118.852 0.300 . 1 . . . . 46 GLU N . 11116 1 499 . 1 1 47 47 TRP H H 1 8.777 0.030 . 1 . . . . 47 TRP H . 11116 1 500 . 1 1 47 47 TRP HA H 1 4.042 0.030 . 1 . . . . 47 TRP HA . 11116 1 501 . 1 1 47 47 TRP HB2 H 1 3.335 0.030 . 2 . . . . 47 TRP HB2 . 11116 1 502 . 1 1 47 47 TRP HB3 H 1 2.902 0.030 . 2 . . . . 47 TRP HB3 . 11116 1 503 . 1 1 47 47 TRP HD1 H 1 7.125 0.030 . 1 . . . . 47 TRP HD1 . 11116 1 504 . 1 1 47 47 TRP HE1 H 1 8.367 0.030 . 1 . . . . 47 TRP HE1 . 11116 1 505 . 1 1 47 47 TRP HE3 H 1 7.288 0.030 . 1 . . . . 47 TRP HE3 . 11116 1 506 . 1 1 47 47 TRP HH2 H 1 6.697 0.030 . 1 . . . . 47 TRP HH2 . 11116 1 507 . 1 1 47 47 TRP HZ2 H 1 7.887 0.030 . 1 . . . . 47 TRP HZ2 . 11116 1 508 . 1 1 47 47 TRP HZ3 H 1 6.631 0.030 . 1 . . . . 47 TRP HZ3 . 11116 1 509 . 1 1 47 47 TRP C C 13 176.971 0.300 . 1 . . . . 47 TRP C . 11116 1 510 . 1 1 47 47 TRP CA C 13 59.851 0.300 . 1 . . . . 47 TRP CA . 11116 1 511 . 1 1 47 47 TRP CB C 13 29.984 0.300 . 1 . . . . 47 TRP CB . 11116 1 512 . 1 1 47 47 TRP CD1 C 13 127.458 0.300 . 1 . . . . 47 TRP CD1 . 11116 1 513 . 1 1 47 47 TRP CE3 C 13 119.065 0.300 . 1 . . . . 47 TRP CE3 . 11116 1 514 . 1 1 47 47 TRP CH2 C 13 123.566 0.300 . 1 . . . . 47 TRP CH2 . 11116 1 515 . 1 1 47 47 TRP CZ2 C 13 115.600 0.300 . 1 . . . . 47 TRP CZ2 . 11116 1 516 . 1 1 47 47 TRP CZ3 C 13 120.971 0.300 . 1 . . . . 47 TRP CZ3 . 11116 1 517 . 1 1 47 47 TRP N N 15 121.787 0.300 . 1 . . . . 47 TRP N . 11116 1 518 . 1 1 47 47 TRP NE1 N 15 122.954 0.300 . 1 . . . . 47 TRP NE1 . 11116 1 519 . 1 1 48 48 ALA H H 1 7.987 0.030 . 1 . . . . 48 ALA H . 11116 1 520 . 1 1 48 48 ALA HA H 1 3.854 0.030 . 1 . . . . 48 ALA HA . 11116 1 521 . 1 1 48 48 ALA HB1 H 1 1.472 0.030 . 1 . . . . 48 ALA HB . 11116 1 522 . 1 1 48 48 ALA HB2 H 1 1.472 0.030 . 1 . . . . 48 ALA HB . 11116 1 523 . 1 1 48 48 ALA HB3 H 1 1.472 0.030 . 1 . . . . 48 ALA HB . 11116 1 524 . 1 1 48 48 ALA C C 13 180.377 0.300 . 1 . . . . 48 ALA C . 11116 1 525 . 1 1 48 48 ALA CA C 13 54.959 0.300 . 1 . . . . 48 ALA CA . 11116 1 526 . 1 1 48 48 ALA CB C 13 18.196 0.300 . 1 . . . . 48 ALA CB . 11116 1 527 . 1 1 48 48 ALA N N 15 118.239 0.300 . 1 . . . . 48 ALA N . 11116 1 528 . 1 1 49 49 ALA H H 1 7.682 0.030 . 1 . . . . 49 ALA H . 11116 1 529 . 1 1 49 49 ALA HA H 1 4.160 0.030 . 1 . . . . 49 ALA HA . 11116 1 530 . 1 1 49 49 ALA HB1 H 1 1.457 0.030 . 1 . . . . 49 ALA HB . 11116 1 531 . 1 1 49 49 ALA HB2 H 1 1.457 0.030 . 1 . . . . 49 ALA HB . 11116 1 532 . 1 1 49 49 ALA HB3 H 1 1.457 0.030 . 1 . . . . 49 ALA HB . 11116 1 533 . 1 1 49 49 ALA C C 13 181.256 0.300 . 1 . . . . 49 ALA C . 11116 1 534 . 1 1 49 49 ALA CA C 13 54.653 0.300 . 1 . . . . 49 ALA CA . 11116 1 535 . 1 1 49 49 ALA CB C 13 18.268 0.300 . 1 . . . . 49 ALA CB . 11116 1 536 . 1 1 49 49 ALA N N 15 119.929 0.300 . 1 . . . . 49 ALA N . 11116 1 537 . 1 1 50 50 ALA H H 1 8.412 0.030 . 1 . . . . 50 ALA H . 11116 1 538 . 1 1 50 50 ALA HA H 1 3.691 0.030 . 1 . . . . 50 ALA HA . 11116 1 539 . 1 1 50 50 ALA HB1 H 1 1.110 0.030 . 1 . . . . 50 ALA HB . 11116 1 540 . 1 1 50 50 ALA HB2 H 1 1.110 0.030 . 1 . . . . 50 ALA HB . 11116 1 541 . 1 1 50 50 ALA HB3 H 1 1.110 0.030 . 1 . . . . 50 ALA HB . 11116 1 542 . 1 1 50 50 ALA C C 13 178.366 0.300 . 1 . . . . 50 ALA C . 11116 1 543 . 1 1 50 50 ALA CA C 13 54.401 0.300 . 1 . . . . 50 ALA CA . 11116 1 544 . 1 1 50 50 ALA CB C 13 18.261 0.300 . 1 . . . . 50 ALA CB . 11116 1 545 . 1 1 50 50 ALA N N 15 120.476 0.300 . 1 . . . . 50 ALA N . 11116 1 546 . 1 1 51 51 ALA H H 1 8.315 0.030 . 1 . . . . 51 ALA H . 11116 1 547 . 1 1 51 51 ALA HA H 1 3.521 0.030 . 1 . . . . 51 ALA HA . 11116 1 548 . 1 1 51 51 ALA HB1 H 1 1.131 0.030 . 1 . . . . 51 ALA HB . 11116 1 549 . 1 1 51 51 ALA HB2 H 1 1.131 0.030 . 1 . . . . 51 ALA HB . 11116 1 550 . 1 1 51 51 ALA HB3 H 1 1.131 0.030 . 1 . . . . 51 ALA HB . 11116 1 551 . 1 1 51 51 ALA C C 13 180.802 0.300 . 1 . . . . 51 ALA C . 11116 1 552 . 1 1 51 51 ALA CA C 13 55.369 0.300 . 1 . . . . 51 ALA CA . 11116 1 553 . 1 1 51 51 ALA CB C 13 18.933 0.300 . 1 . . . . 51 ALA CB . 11116 1 554 . 1 1 51 51 ALA N N 15 119.662 0.300 . 1 . . . . 51 ALA N . 11116 1 555 . 1 1 52 52 SER H H 1 7.483 0.030 . 1 . . . . 52 SER H . 11116 1 556 . 1 1 52 52 SER HA H 1 4.243 0.030 . 1 . . . . 52 SER HA . 11116 1 557 . 1 1 52 52 SER HB2 H 1 3.988 0.030 . 2 . . . . 52 SER HB2 . 11116 1 558 . 1 1 52 52 SER HB3 H 1 3.830 0.030 . 2 . . . . 52 SER HB3 . 11116 1 559 . 1 1 52 52 SER C C 13 176.041 0.300 . 1 . . . . 52 SER C . 11116 1 560 . 1 1 52 52 SER CA C 13 61.811 0.300 . 1 . . . . 52 SER CA . 11116 1 561 . 1 1 52 52 SER CB C 13 62.937 0.300 . 1 . . . . 52 SER CB . 11116 1 562 . 1 1 52 52 SER N N 15 114.069 0.300 . 1 . . . . 52 SER N . 11116 1 563 . 1 1 53 53 GLU H H 1 7.416 0.030 . 1 . . . . 53 GLU H . 11116 1 564 . 1 1 53 53 GLU HA H 1 4.119 0.030 . 1 . . . . 53 GLU HA . 11116 1 565 . 1 1 53 53 GLU HB2 H 1 1.978 0.030 . 2 . . . . 53 GLU HB2 . 11116 1 566 . 1 1 53 53 GLU HB3 H 1 1.896 0.030 . 2 . . . . 53 GLU HB3 . 11116 1 567 . 1 1 53 53 GLU HG2 H 1 2.291 0.030 . 2 . . . . 53 GLU HG2 . 11116 1 568 . 1 1 53 53 GLU HG3 H 1 2.117 0.030 . 2 . . . . 53 GLU HG3 . 11116 1 569 . 1 1 53 53 GLU C C 13 178.749 0.300 . 1 . . . . 53 GLU C . 11116 1 570 . 1 1 53 53 GLU CA C 13 59.510 0.300 . 1 . . . . 53 GLU CA . 11116 1 571 . 1 1 53 53 GLU CB C 13 29.972 0.300 . 1 . . . . 53 GLU CB . 11116 1 572 . 1 1 53 53 GLU CG C 13 36.131 0.300 . 1 . . . . 53 GLU CG . 11116 1 573 . 1 1 53 53 GLU N N 15 123.467 0.300 . 1 . . . . 53 GLU N . 11116 1 574 . 1 1 54 54 VAL H H 1 9.045 0.030 . 1 . . . . 54 VAL H . 11116 1 575 . 1 1 54 54 VAL HA H 1 3.157 0.030 . 1 . . . . 54 VAL HA . 11116 1 576 . 1 1 54 54 VAL HB H 1 1.763 0.030 . 1 . . . . 54 VAL HB . 11116 1 577 . 1 1 54 54 VAL HG11 H 1 0.508 0.030 . 1 . . . . 54 VAL HG1 . 11116 1 578 . 1 1 54 54 VAL HG12 H 1 0.508 0.030 . 1 . . . . 54 VAL HG1 . 11116 1 579 . 1 1 54 54 VAL HG13 H 1 0.508 0.030 . 1 . . . . 54 VAL HG1 . 11116 1 580 . 1 1 54 54 VAL HG21 H 1 0.738 0.030 . 1 . . . . 54 VAL HG2 . 11116 1 581 . 1 1 54 54 VAL HG22 H 1 0.738 0.030 . 1 . . . . 54 VAL HG2 . 11116 1 582 . 1 1 54 54 VAL HG23 H 1 0.738 0.030 . 1 . . . . 54 VAL HG2 . 11116 1 583 . 1 1 54 54 VAL C C 13 179.012 0.300 . 1 . . . . 54 VAL C . 11116 1 584 . 1 1 54 54 VAL CA C 13 67.109 0.300 . 1 . . . . 54 VAL CA . 11116 1 585 . 1 1 54 54 VAL CB C 13 31.818 0.300 . 1 . . . . 54 VAL CB . 11116 1 586 . 1 1 54 54 VAL CG1 C 13 22.552 0.300 . 2 . . . . 54 VAL CG1 . 11116 1 587 . 1 1 54 54 VAL CG2 C 13 25.610 0.300 . 2 . . . . 54 VAL CG2 . 11116 1 588 . 1 1 54 54 VAL N N 15 119.026 0.300 . 1 . . . . 54 VAL N . 11116 1 589 . 1 1 55 55 LYS H H 1 7.805 0.030 . 1 . . . . 55 LYS H . 11116 1 590 . 1 1 55 55 LYS HA H 1 4.047 0.030 . 1 . . . . 55 LYS HA . 11116 1 591 . 1 1 55 55 LYS HB2 H 1 1.839 0.030 . 1 . . . . 55 LYS HB2 . 11116 1 592 . 1 1 55 55 LYS HB3 H 1 1.839 0.030 . 1 . . . . 55 LYS HB3 . 11116 1 593 . 1 1 55 55 LYS HD2 H 1 1.570 0.030 . 2 . . . . 55 LYS HD2 . 11116 1 594 . 1 1 55 55 LYS HD3 H 1 1.527 0.030 . 2 . . . . 55 LYS HD3 . 11116 1 595 . 1 1 55 55 LYS HE2 H 1 2.869 0.030 . 1 . . . . 55 LYS HE2 . 11116 1 596 . 1 1 55 55 LYS HE3 H 1 2.869 0.030 . 1 . . . . 55 LYS HE3 . 11116 1 597 . 1 1 55 55 LYS HG2 H 1 1.261 0.030 . 2 . . . . 55 LYS HG2 . 11116 1 598 . 1 1 55 55 LYS HG3 H 1 1.156 0.030 . 2 . . . . 55 LYS HG3 . 11116 1 599 . 1 1 55 55 LYS C C 13 178.850 0.300 . 1 . . . . 55 LYS C . 11116 1 600 . 1 1 55 55 LYS CA C 13 60.438 0.300 . 1 . . . . 55 LYS CA . 11116 1 601 . 1 1 55 55 LYS CB C 13 32.470 0.300 . 1 . . . . 55 LYS CB . 11116 1 602 . 1 1 55 55 LYS CD C 13 29.784 0.300 . 1 . . . . 55 LYS CD . 11116 1 603 . 1 1 55 55 LYS CE C 13 42.044 0.300 . 1 . . . . 55 LYS CE . 11116 1 604 . 1 1 55 55 LYS CG C 13 24.303 0.300 . 1 . . . . 55 LYS CG . 11116 1 605 . 1 1 55 55 LYS N N 15 124.129 0.300 . 1 . . . . 55 LYS N . 11116 1 606 . 1 1 56 56 GLU H H 1 7.290 0.030 . 1 . . . . 56 GLU H . 11116 1 607 . 1 1 56 56 GLU HA H 1 4.015 0.030 . 1 . . . . 56 GLU HA . 11116 1 608 . 1 1 56 56 GLU HB2 H 1 2.092 0.030 . 1 . . . . 56 GLU HB2 . 11116 1 609 . 1 1 56 56 GLU HB3 H 1 2.092 0.030 . 1 . . . . 56 GLU HB3 . 11116 1 610 . 1 1 56 56 GLU HG2 H 1 2.241 0.030 . 1 . . . . 56 GLU HG2 . 11116 1 611 . 1 1 56 56 GLU HG3 H 1 2.241 0.030 . 1 . . . . 56 GLU HG3 . 11116 1 612 . 1 1 56 56 GLU C C 13 179.174 0.300 . 1 . . . . 56 GLU C . 11116 1 613 . 1 1 56 56 GLU CA C 13 58.993 0.300 . 1 . . . . 56 GLU CA . 11116 1 614 . 1 1 56 56 GLU CB C 13 29.732 0.300 . 1 . . . . 56 GLU CB . 11116 1 615 . 1 1 56 56 GLU CG C 13 35.575 0.300 . 1 . . . . 56 GLU CG . 11116 1 616 . 1 1 56 56 GLU N N 15 117.784 0.300 . 1 . . . . 56 GLU N . 11116 1 617 . 1 1 57 57 GLN H H 1 8.323 0.030 . 1 . . . . 57 GLN H . 11116 1 618 . 1 1 57 57 GLN HA H 1 4.086 0.030 . 1 . . . . 57 GLN HA . 11116 1 619 . 1 1 57 57 GLN HB2 H 1 2.099 0.030 . 2 . . . . 57 GLN HB2 . 11116 1 620 . 1 1 57 57 GLN HB3 H 1 1.671 0.030 . 2 . . . . 57 GLN HB3 . 11116 1 621 . 1 1 57 57 GLN HE21 H 1 7.570 0.030 . 2 . . . . 57 GLN HE21 . 11116 1 622 . 1 1 57 57 GLN HE22 H 1 6.703 0.030 . 2 . . . . 57 GLN HE22 . 11116 1 623 . 1 1 57 57 GLN HG2 H 1 2.449 0.030 . 1 . . . . 57 GLN HG2 . 11116 1 624 . 1 1 57 57 GLN HG3 H 1 2.449 0.030 . 1 . . . . 57 GLN HG3 . 11116 1 625 . 1 1 57 57 GLN C C 13 177.466 0.300 . 1 . . . . 57 GLN C . 11116 1 626 . 1 1 57 57 GLN CA C 13 58.592 0.300 . 1 . . . . 57 GLN CA . 11116 1 627 . 1 1 57 57 GLN CB C 13 29.736 0.300 . 1 . . . . 57 GLN CB . 11116 1 628 . 1 1 57 57 GLN CG C 13 34.139 0.300 . 1 . . . . 57 GLN CG . 11116 1 629 . 1 1 57 57 GLN N N 15 114.719 0.300 . 1 . . . . 57 GLN N . 11116 1 630 . 1 1 57 57 GLN NE2 N 15 112.122 0.300 . 1 . . . . 57 GLN NE2 . 11116 1 631 . 1 1 58 58 THR H H 1 7.978 0.030 . 1 . . . . 58 THR H . 11116 1 632 . 1 1 58 58 THR HA H 1 3.604 0.030 . 1 . . . . 58 THR HA . 11116 1 633 . 1 1 58 58 THR HB H 1 3.713 0.030 . 1 . . . . 58 THR HB . 11116 1 634 . 1 1 58 58 THR HG21 H 1 0.592 0.030 . 1 . . . . 58 THR HG2 . 11116 1 635 . 1 1 58 58 THR HG22 H 1 0.592 0.030 . 1 . . . . 58 THR HG2 . 11116 1 636 . 1 1 58 58 THR HG23 H 1 0.592 0.030 . 1 . . . . 58 THR HG2 . 11116 1 637 . 1 1 58 58 THR C C 13 175.051 0.300 . 1 . . . . 58 THR C . 11116 1 638 . 1 1 58 58 THR CA C 13 60.949 0.300 . 1 . . . . 58 THR CA . 11116 1 639 . 1 1 58 58 THR CB C 13 70.654 0.300 . 1 . . . . 58 THR CB . 11116 1 640 . 1 1 58 58 THR CG2 C 13 20.471 0.300 . 1 . . . . 58 THR CG2 . 11116 1 641 . 1 1 58 58 THR N N 15 105.273 0.300 . 1 . . . . 58 THR N . 11116 1 642 . 1 1 59 59 LYS H H 1 7.570 0.030 . 1 . . . . 59 LYS H . 11116 1 643 . 1 1 59 59 LYS HA H 1 3.983 0.030 . 1 . . . . 59 LYS HA . 11116 1 644 . 1 1 59 59 LYS HB2 H 1 2.023 0.030 . 2 . . . . 59 LYS HB2 . 11116 1 645 . 1 1 59 59 LYS HB3 H 1 1.956 0.030 . 2 . . . . 59 LYS HB3 . 11116 1 646 . 1 1 59 59 LYS HD2 H 1 1.697 0.030 . 2 . . . . 59 LYS HD2 . 11116 1 647 . 1 1 59 59 LYS HD3 H 1 1.638 0.030 . 2 . . . . 59 LYS HD3 . 11116 1 648 . 1 1 59 59 LYS HE2 H 1 3.016 0.030 . 1 . . . . 59 LYS HE2 . 11116 1 649 . 1 1 59 59 LYS HE3 H 1 3.016 0.030 . 1 . . . . 59 LYS HE3 . 11116 1 650 . 1 1 59 59 LYS HG2 H 1 1.359 0.030 . 2 . . . . 59 LYS HG2 . 11116 1 651 . 1 1 59 59 LYS HG3 H 1 1.306 0.030 . 2 . . . . 59 LYS HG3 . 11116 1 652 . 1 1 59 59 LYS C C 13 176.516 0.300 . 1 . . . . 59 LYS C . 11116 1 653 . 1 1 59 59 LYS CA C 13 56.749 0.300 . 1 . . . . 59 LYS CA . 11116 1 654 . 1 1 59 59 LYS CB C 13 29.210 0.300 . 1 . . . . 59 LYS CB . 11116 1 655 . 1 1 59 59 LYS CD C 13 28.940 0.300 . 1 . . . . 59 LYS CD . 11116 1 656 . 1 1 59 59 LYS CE C 13 42.502 0.300 . 1 . . . . 59 LYS CE . 11116 1 657 . 1 1 59 59 LYS CG C 13 24.970 0.300 . 1 . . . . 59 LYS CG . 11116 1 658 . 1 1 59 59 LYS N N 15 119.443 0.300 . 1 . . . . 59 LYS N . 11116 1 659 . 1 1 60 60 GLY H H 1 7.494 0.030 . 1 . . . . 60 GLY H . 11116 1 660 . 1 1 60 60 GLY HA2 H 1 4.055 0.030 . 2 . . . . 60 GLY HA2 . 11116 1 661 . 1 1 60 60 GLY HA3 H 1 3.454 0.030 . 2 . . . . 60 GLY HA3 . 11116 1 662 . 1 1 60 60 GLY C C 13 173.342 0.300 . 1 . . . . 60 GLY C . 11116 1 663 . 1 1 60 60 GLY CA C 13 45.060 0.300 . 1 . . . . 60 GLY CA . 11116 1 664 . 1 1 60 60 GLY N N 15 103.077 0.300 . 1 . . . . 60 GLY N . 11116 1 665 . 1 1 61 61 LYS H H 1 7.343 0.030 . 1 . . . . 61 LYS H . 11116 1 666 . 1 1 61 61 LYS HA H 1 4.228 0.030 . 1 . . . . 61 LYS HA . 11116 1 667 . 1 1 61 61 LYS HB2 H 1 2.060 0.030 . 2 . . . . 61 LYS HB2 . 11116 1 668 . 1 1 61 61 LYS HB3 H 1 1.992 0.030 . 2 . . . . 61 LYS HB3 . 11116 1 669 . 1 1 61 61 LYS HD2 H 1 1.959 0.030 . 2 . . . . 61 LYS HD2 . 11116 1 670 . 1 1 61 61 LYS HD3 H 1 1.917 0.030 . 2 . . . . 61 LYS HD3 . 11116 1 671 . 1 1 61 61 LYS HE2 H 1 3.114 0.030 . 2 . . . . 61 LYS HE2 . 11116 1 672 . 1 1 61 61 LYS HE3 H 1 3.057 0.030 . 2 . . . . 61 LYS HE3 . 11116 1 673 . 1 1 61 61 LYS HG2 H 1 1.710 0.030 . 1 . . . . 61 LYS HG2 . 11116 1 674 . 1 1 61 61 LYS HG3 H 1 1.710 0.030 . 1 . . . . 61 LYS HG3 . 11116 1 675 . 1 1 61 61 LYS C C 13 176.394 0.300 . 1 . . . . 61 LYS C . 11116 1 676 . 1 1 61 61 LYS CA C 13 56.792 0.300 . 1 . . . . 61 LYS CA . 11116 1 677 . 1 1 61 61 LYS CB C 13 31.838 0.300 . 1 . . . . 61 LYS CB . 11116 1 678 . 1 1 61 61 LYS CD C 13 27.869 0.300 . 1 . . . . 61 LYS CD . 11116 1 679 . 1 1 61 61 LYS CE C 13 42.147 0.300 . 1 . . . . 61 LYS CE . 11116 1 680 . 1 1 61 61 LYS CG C 13 24.997 0.300 . 1 . . . . 61 LYS CG . 11116 1 681 . 1 1 61 61 LYS N N 15 119.290 0.300 . 1 . . . . 61 LYS N . 11116 1 682 . 1 1 62 62 VAL H H 1 7.192 0.030 . 1 . . . . 62 VAL H . 11116 1 683 . 1 1 62 62 VAL HA H 1 4.641 0.030 . 1 . . . . 62 VAL HA . 11116 1 684 . 1 1 62 62 VAL HB H 1 1.450 0.030 . 1 . . . . 62 VAL HB . 11116 1 685 . 1 1 62 62 VAL HG11 H 1 0.590 0.030 . 1 . . . . 62 VAL HG1 . 11116 1 686 . 1 1 62 62 VAL HG12 H 1 0.590 0.030 . 1 . . . . 62 VAL HG1 . 11116 1 687 . 1 1 62 62 VAL HG13 H 1 0.590 0.030 . 1 . . . . 62 VAL HG1 . 11116 1 688 . 1 1 62 62 VAL HG21 H 1 0.884 0.030 . 1 . . . . 62 VAL HG2 . 11116 1 689 . 1 1 62 62 VAL HG22 H 1 0.884 0.030 . 1 . . . . 62 VAL HG2 . 11116 1 690 . 1 1 62 62 VAL HG23 H 1 0.884 0.030 . 1 . . . . 62 VAL HG2 . 11116 1 691 . 1 1 62 62 VAL C C 13 173.949 0.300 . 1 . . . . 62 VAL C . 11116 1 692 . 1 1 62 62 VAL CA C 13 60.482 0.300 . 1 . . . . 62 VAL CA . 11116 1 693 . 1 1 62 62 VAL CB C 13 32.370 0.300 . 1 . . . . 62 VAL CB . 11116 1 694 . 1 1 62 62 VAL CG1 C 13 20.593 0.300 . 2 . . . . 62 VAL CG1 . 11116 1 695 . 1 1 62 62 VAL CG2 C 13 20.254 0.300 . 2 . . . . 62 VAL CG2 . 11116 1 696 . 1 1 62 62 VAL N N 15 116.231 0.300 . 1 . . . . 62 VAL N . 11116 1 697 . 1 1 63 63 LYS H H 1 8.568 0.030 . 1 . . . . 63 LYS H . 11116 1 698 . 1 1 63 63 LYS HA H 1 3.957 0.030 . 1 . . . . 63 LYS HA . 11116 1 699 . 1 1 63 63 LYS HB2 H 1 0.591 0.030 . 2 . . . . 63 LYS HB2 . 11116 1 700 . 1 1 63 63 LYS HB3 H 1 -0.008 0.030 . 2 . . . . 63 LYS HB3 . 11116 1 701 . 1 1 63 63 LYS HD2 H 1 0.541 0.030 . 2 . . . . 63 LYS HD2 . 11116 1 702 . 1 1 63 63 LYS HD3 H 1 0.418 0.030 . 2 . . . . 63 LYS HD3 . 11116 1 703 . 1 1 63 63 LYS HE2 H 1 2.659 0.030 . 1 . . . . 63 LYS HE2 . 11116 1 704 . 1 1 63 63 LYS HE3 H 1 2.659 0.030 . 1 . . . . 63 LYS HE3 . 11116 1 705 . 1 1 63 63 LYS HG2 H 1 0.626 0.030 . 2 . . . . 63 LYS HG2 . 11116 1 706 . 1 1 63 63 LYS HG3 H 1 0.483 0.030 . 2 . . . . 63 LYS HG3 . 11116 1 707 . 1 1 63 63 LYS C C 13 174.110 0.300 . 1 . . . . 63 LYS C . 11116 1 708 . 1 1 63 63 LYS CA C 13 54.901 0.300 . 1 . . . . 63 LYS CA . 11116 1 709 . 1 1 63 63 LYS CB C 13 35.826 0.300 . 1 . . . . 63 LYS CB . 11116 1 710 . 1 1 63 63 LYS CD C 13 28.729 0.300 . 1 . . . . 63 LYS CD . 11116 1 711 . 1 1 63 63 LYS CE C 13 42.593 0.300 . 1 . . . . 63 LYS CE . 11116 1 712 . 1 1 63 63 LYS CG C 13 24.715 0.300 . 1 . . . . 63 LYS CG . 11116 1 713 . 1 1 63 63 LYS N N 15 124.216 0.300 . 1 . . . . 63 LYS N . 11116 1 714 . 1 1 64 64 LEU H H 1 7.428 0.030 . 1 . . . . 64 LEU H . 11116 1 715 . 1 1 64 64 LEU HA H 1 5.396 0.030 . 1 . . . . 64 LEU HA . 11116 1 716 . 1 1 64 64 LEU HB2 H 1 1.061 0.030 . 2 . . . . 64 LEU HB2 . 11116 1 717 . 1 1 64 64 LEU HB3 H 1 0.920 0.030 . 2 . . . . 64 LEU HB3 . 11116 1 718 . 1 1 64 64 LEU HD11 H 1 0.291 0.030 . 1 . . . . 64 LEU HD1 . 11116 1 719 . 1 1 64 64 LEU HD12 H 1 0.291 0.030 . 1 . . . . 64 LEU HD1 . 11116 1 720 . 1 1 64 64 LEU HD13 H 1 0.291 0.030 . 1 . . . . 64 LEU HD1 . 11116 1 721 . 1 1 64 64 LEU HD21 H 1 -0.665 0.030 . 1 . . . . 64 LEU HD2 . 11116 1 722 . 1 1 64 64 LEU HD22 H 1 -0.665 0.030 . 1 . . . . 64 LEU HD2 . 11116 1 723 . 1 1 64 64 LEU HD23 H 1 -0.665 0.030 . 1 . . . . 64 LEU HD2 . 11116 1 724 . 1 1 64 64 LEU HG H 1 1.125 0.030 . 1 . . . . 64 LEU HG . 11116 1 725 . 1 1 64 64 LEU C C 13 176.243 0.300 . 1 . . . . 64 LEU C . 11116 1 726 . 1 1 64 64 LEU CA C 13 55.575 0.300 . 1 . . . . 64 LEU CA . 11116 1 727 . 1 1 64 64 LEU CB C 13 42.732 0.300 . 1 . . . . 64 LEU CB . 11116 1 728 . 1 1 64 64 LEU CD1 C 13 23.438 0.300 . 2 . . . . 64 LEU CD1 . 11116 1 729 . 1 1 64 64 LEU CD2 C 13 24.558 0.300 . 2 . . . . 64 LEU CD2 . 11116 1 730 . 1 1 64 64 LEU CG C 13 31.906 0.300 . 1 . . . . 64 LEU CG . 11116 1 731 . 1 1 64 64 LEU N N 15 122.683 0.300 . 1 . . . . 64 LEU N . 11116 1 732 . 1 1 65 65 ALA H H 1 9.407 0.030 . 1 . . . . 65 ALA H . 11116 1 733 . 1 1 65 65 ALA HA H 1 5.810 0.030 . 1 . . . . 65 ALA HA . 11116 1 734 . 1 1 65 65 ALA HB1 H 1 1.713 0.030 . 1 . . . . 65 ALA HB . 11116 1 735 . 1 1 65 65 ALA HB2 H 1 1.713 0.030 . 1 . . . . 65 ALA HB . 11116 1 736 . 1 1 65 65 ALA HB3 H 1 1.713 0.030 . 1 . . . . 65 ALA HB . 11116 1 737 . 1 1 65 65 ALA C C 13 176.819 0.300 . 1 . . . . 65 ALA C . 11116 1 738 . 1 1 65 65 ALA CA C 13 50.021 0.300 . 1 . . . . 65 ALA CA . 11116 1 739 . 1 1 65 65 ALA CB C 13 25.959 0.300 . 1 . . . . 65 ALA CB . 11116 1 740 . 1 1 65 65 ALA N N 15 124.319 0.300 . 1 . . . . 65 ALA N . 11116 1 741 . 1 1 66 66 ALA H H 1 9.065 0.030 . 1 . . . . 66 ALA H . 11116 1 742 . 1 1 66 66 ALA HA H 1 5.515 0.030 . 1 . . . . 66 ALA HA . 11116 1 743 . 1 1 66 66 ALA HB1 H 1 1.429 0.030 . 1 . . . . 66 ALA HB . 11116 1 744 . 1 1 66 66 ALA HB2 H 1 1.429 0.030 . 1 . . . . 66 ALA HB . 11116 1 745 . 1 1 66 66 ALA HB3 H 1 1.429 0.030 . 1 . . . . 66 ALA HB . 11116 1 746 . 1 1 66 66 ALA C C 13 174.555 0.300 . 1 . . . . 66 ALA C . 11116 1 747 . 1 1 66 66 ALA CA C 13 51.585 0.300 . 1 . . . . 66 ALA CA . 11116 1 748 . 1 1 66 66 ALA CB C 13 22.987 0.300 . 1 . . . . 66 ALA CB . 11116 1 749 . 1 1 66 66 ALA N N 15 125.255 0.300 . 1 . . . . 66 ALA N . 11116 1 750 . 1 1 67 67 VAL H H 1 8.799 0.030 . 1 . . . . 67 VAL H . 11116 1 751 . 1 1 67 67 VAL HA H 1 4.333 0.030 . 1 . . . . 67 VAL HA . 11116 1 752 . 1 1 67 67 VAL HB H 1 1.237 0.030 . 1 . . . . 67 VAL HB . 11116 1 753 . 1 1 67 67 VAL HG11 H 1 0.671 0.030 . 1 . . . . 67 VAL HG1 . 11116 1 754 . 1 1 67 67 VAL HG12 H 1 0.671 0.030 . 1 . . . . 67 VAL HG1 . 11116 1 755 . 1 1 67 67 VAL HG13 H 1 0.671 0.030 . 1 . . . . 67 VAL HG1 . 11116 1 756 . 1 1 67 67 VAL HG21 H 1 0.445 0.030 . 1 . . . . 67 VAL HG2 . 11116 1 757 . 1 1 67 67 VAL HG22 H 1 0.445 0.030 . 1 . . . . 67 VAL HG2 . 11116 1 758 . 1 1 67 67 VAL HG23 H 1 0.445 0.030 . 1 . . . . 67 VAL HG2 . 11116 1 759 . 1 1 67 67 VAL C C 13 173.958 0.300 . 1 . . . . 67 VAL C . 11116 1 760 . 1 1 67 67 VAL CA C 13 59.984 0.300 . 1 . . . . 67 VAL CA . 11116 1 761 . 1 1 67 67 VAL CB C 13 37.024 0.300 . 1 . . . . 67 VAL CB . 11116 1 762 . 1 1 67 67 VAL CG1 C 13 21.317 0.300 . 2 . . . . 67 VAL CG1 . 11116 1 763 . 1 1 67 67 VAL CG2 C 13 21.400 0.300 . 2 . . . . 67 VAL CG2 . 11116 1 764 . 1 1 67 67 VAL N N 15 118.918 0.300 . 1 . . . . 67 VAL N . 11116 1 765 . 1 1 68 68 ASP H H 1 9.069 0.030 . 1 . . . . 68 ASP H . 11116 1 766 . 1 1 68 68 ASP HA H 1 3.098 0.030 . 1 . . . . 68 ASP HA . 11116 1 767 . 1 1 68 68 ASP HB2 H 1 2.558 0.030 . 2 . . . . 68 ASP HB2 . 11116 1 768 . 1 1 68 68 ASP HB3 H 1 2.439 0.030 . 2 . . . . 68 ASP HB3 . 11116 1 769 . 1 1 68 68 ASP C C 13 177.304 0.300 . 1 . . . . 68 ASP C . 11116 1 770 . 1 1 68 68 ASP CA C 13 52.187 0.300 . 1 . . . . 68 ASP CA . 11116 1 771 . 1 1 68 68 ASP CB C 13 38.770 0.300 . 1 . . . . 68 ASP CB . 11116 1 772 . 1 1 68 68 ASP N N 15 127.076 0.300 . 1 . . . . 68 ASP N . 11116 1 773 . 1 1 69 69 ALA H H 1 9.089 0.030 . 1 . . . . 69 ALA H . 11116 1 774 . 1 1 69 69 ALA HA H 1 4.131 0.030 . 1 . . . . 69 ALA HA . 11116 1 775 . 1 1 69 69 ALA HB1 H 1 1.582 0.030 . 1 . . . . 69 ALA HB . 11116 1 776 . 1 1 69 69 ALA HB2 H 1 1.582 0.030 . 1 . . . . 69 ALA HB . 11116 1 777 . 1 1 69 69 ALA HB3 H 1 1.582 0.030 . 1 . . . . 69 ALA HB . 11116 1 778 . 1 1 69 69 ALA C C 13 176.021 0.300 . 1 . . . . 69 ALA C . 11116 1 779 . 1 1 69 69 ALA CA C 13 53.005 0.300 . 1 . . . . 69 ALA CA . 11116 1 780 . 1 1 69 69 ALA CB C 13 19.974 0.300 . 1 . . . . 69 ALA CB . 11116 1 781 . 1 1 69 69 ALA N N 15 132.850 0.300 . 1 . . . . 69 ALA N . 11116 1 782 . 1 1 70 70 THR H H 1 8.695 0.030 . 1 . . . . 70 THR H . 11116 1 783 . 1 1 70 70 THR HA H 1 4.287 0.030 . 1 . . . . 70 THR HA . 11116 1 784 . 1 1 70 70 THR HB H 1 4.331 0.030 . 1 . . . . 70 THR HB . 11116 1 785 . 1 1 70 70 THR HG21 H 1 1.095 0.030 . 1 . . . . 70 THR HG2 . 11116 1 786 . 1 1 70 70 THR HG22 H 1 1.095 0.030 . 1 . . . . 70 THR HG2 . 11116 1 787 . 1 1 70 70 THR HG23 H 1 1.095 0.030 . 1 . . . . 70 THR HG2 . 11116 1 788 . 1 1 70 70 THR C C 13 175.970 0.300 . 1 . . . . 70 THR C . 11116 1 789 . 1 1 70 70 THR CA C 13 63.510 0.300 . 1 . . . . 70 THR CA . 11116 1 790 . 1 1 70 70 THR CB C 13 68.734 0.300 . 1 . . . . 70 THR CB . 11116 1 791 . 1 1 70 70 THR CG2 C 13 23.416 0.300 . 1 . . . . 70 THR CG2 . 11116 1 792 . 1 1 70 70 THR N N 15 109.067 0.300 . 1 . . . . 70 THR N . 11116 1 793 . 1 1 71 71 VAL H H 1 6.456 0.030 . 1 . . . . 71 VAL H . 11116 1 794 . 1 1 71 71 VAL HA H 1 4.332 0.030 . 1 . . . . 71 VAL HA . 11116 1 795 . 1 1 71 71 VAL HB H 1 1.930 0.030 . 1 . . . . 71 VAL HB . 11116 1 796 . 1 1 71 71 VAL HG11 H 1 0.918 0.030 . 1 . . . . 71 VAL HG1 . 11116 1 797 . 1 1 71 71 VAL HG12 H 1 0.918 0.030 . 1 . . . . 71 VAL HG1 . 11116 1 798 . 1 1 71 71 VAL HG13 H 1 0.918 0.030 . 1 . . . . 71 VAL HG1 . 11116 1 799 . 1 1 71 71 VAL HG21 H 1 0.871 0.030 . 1 . . . . 71 VAL HG2 . 11116 1 800 . 1 1 71 71 VAL HG22 H 1 0.871 0.030 . 1 . . . . 71 VAL HG2 . 11116 1 801 . 1 1 71 71 VAL HG23 H 1 0.871 0.030 . 1 . . . . 71 VAL HG2 . 11116 1 802 . 1 1 71 71 VAL C C 13 175.717 0.300 . 1 . . . . 71 VAL C . 11116 1 803 . 1 1 71 71 VAL CA C 13 62.347 0.300 . 1 . . . . 71 VAL CA . 11116 1 804 . 1 1 71 71 VAL CB C 13 33.772 0.300 . 1 . . . . 71 VAL CB . 11116 1 805 . 1 1 71 71 VAL CG1 C 13 21.155 0.300 . 2 . . . . 71 VAL CG1 . 11116 1 806 . 1 1 71 71 VAL CG2 C 13 20.874 0.300 . 2 . . . . 71 VAL CG2 . 11116 1 807 . 1 1 71 71 VAL N N 15 117.260 0.300 . 1 . . . . 71 VAL N . 11116 1 808 . 1 1 72 72 ASN H H 1 7.377 0.030 . 1 . . . . 72 ASN H . 11116 1 809 . 1 1 72 72 ASN HA H 1 5.070 0.030 . 1 . . . . 72 ASN HA . 11116 1 810 . 1 1 72 72 ASN HB2 H 1 2.994 0.030 . 2 . . . . 72 ASN HB2 . 11116 1 811 . 1 1 72 72 ASN HB3 H 1 2.507 0.030 . 2 . . . . 72 ASN HB3 . 11116 1 812 . 1 1 72 72 ASN HD21 H 1 8.366 0.030 . 2 . . . . 72 ASN HD21 . 11116 1 813 . 1 1 72 72 ASN HD22 H 1 7.380 0.030 . 2 . . . . 72 ASN HD22 . 11116 1 814 . 1 1 72 72 ASN C C 13 174.141 0.300 . 1 . . . . 72 ASN C . 11116 1 815 . 1 1 72 72 ASN CA C 13 53.984 0.300 . 1 . . . . 72 ASN CA . 11116 1 816 . 1 1 72 72 ASN CB C 13 37.949 0.300 . 1 . . . . 72 ASN CB . 11116 1 817 . 1 1 72 72 ASN N N 15 121.729 0.300 . 1 . . . . 72 ASN N . 11116 1 818 . 1 1 72 72 ASN ND2 N 15 121.686 0.300 . 1 . . . . 72 ASN ND2 . 11116 1 819 . 1 1 73 73 GLN H H 1 7.727 0.030 . 1 . . . . 73 GLN H . 11116 1 820 . 1 1 73 73 GLN HA H 1 3.987 0.030 . 1 . . . . 73 GLN HA . 11116 1 821 . 1 1 73 73 GLN HB2 H 1 2.176 0.030 . 2 . . . . 73 GLN HB2 . 11116 1 822 . 1 1 73 73 GLN HB3 H 1 2.038 0.030 . 2 . . . . 73 GLN HB3 . 11116 1 823 . 1 1 73 73 GLN HE21 H 1 7.486 0.030 . 2 . . . . 73 GLN HE21 . 11116 1 824 . 1 1 73 73 GLN HE22 H 1 6.871 0.030 . 2 . . . . 73 GLN HE22 . 11116 1 825 . 1 1 73 73 GLN HG2 H 1 2.342 0.030 . 2 . . . . 73 GLN HG2 . 11116 1 826 . 1 1 73 73 GLN HG3 H 1 2.299 0.030 . 2 . . . . 73 GLN HG3 . 11116 1 827 . 1 1 73 73 GLN C C 13 179.457 0.300 . 1 . . . . 73 GLN C . 11116 1 828 . 1 1 73 73 GLN CA C 13 58.314 0.300 . 1 . . . . 73 GLN CA . 11116 1 829 . 1 1 73 73 GLN CB C 13 29.131 0.300 . 1 . . . . 73 GLN CB . 11116 1 830 . 1 1 73 73 GLN CG C 13 34.407 0.300 . 1 . . . . 73 GLN CG . 11116 1 831 . 1 1 73 73 GLN N N 15 118.834 0.300 . 1 . . . . 73 GLN N . 11116 1 832 . 1 1 73 73 GLN NE2 N 15 112.161 0.300 . 1 . . . . 73 GLN NE2 . 11116 1 833 . 1 1 74 74 VAL H H 1 9.695 0.030 . 1 . . . . 74 VAL H . 11116 1 834 . 1 1 74 74 VAL HA H 1 3.605 0.030 . 1 . . . . 74 VAL HA . 11116 1 835 . 1 1 74 74 VAL HB H 1 1.921 0.030 . 1 . . . . 74 VAL HB . 11116 1 836 . 1 1 74 74 VAL HG11 H 1 0.978 0.030 . 1 . . . . 74 VAL HG1 . 11116 1 837 . 1 1 74 74 VAL HG12 H 1 0.978 0.030 . 1 . . . . 74 VAL HG1 . 11116 1 838 . 1 1 74 74 VAL HG13 H 1 0.978 0.030 . 1 . . . . 74 VAL HG1 . 11116 1 839 . 1 1 74 74 VAL HG21 H 1 0.796 0.030 . 1 . . . . 74 VAL HG2 . 11116 1 840 . 1 1 74 74 VAL HG22 H 1 0.796 0.030 . 1 . . . . 74 VAL HG2 . 11116 1 841 . 1 1 74 74 VAL HG23 H 1 0.796 0.030 . 1 . . . . 74 VAL HG2 . 11116 1 842 . 1 1 74 74 VAL C C 13 179.932 0.300 . 1 . . . . 74 VAL C . 11116 1 843 . 1 1 74 74 VAL CA C 13 67.412 0.300 . 1 . . . . 74 VAL CA . 11116 1 844 . 1 1 74 74 VAL CB C 13 30.394 0.300 . 1 . . . . 74 VAL CB . 11116 1 845 . 1 1 74 74 VAL CG1 C 13 22.802 0.300 . 2 . . . . 74 VAL CG1 . 11116 1 846 . 1 1 74 74 VAL CG2 C 13 20.861 0.300 . 2 . . . . 74 VAL CG2 . 11116 1 847 . 1 1 74 74 VAL N N 15 125.545 0.300 . 1 . . . . 74 VAL N . 11116 1 848 . 1 1 75 75 LEU H H 1 8.753 0.030 . 1 . . . . 75 LEU H . 11116 1 849 . 1 1 75 75 LEU HA H 1 3.748 0.030 . 1 . . . . 75 LEU HA . 11116 1 850 . 1 1 75 75 LEU HB2 H 1 1.847 0.030 . 2 . . . . 75 LEU HB2 . 11116 1 851 . 1 1 75 75 LEU HB3 H 1 1.124 0.030 . 2 . . . . 75 LEU HB3 . 11116 1 852 . 1 1 75 75 LEU HD11 H 1 0.626 0.030 . 1 . . . . 75 LEU HD1 . 11116 1 853 . 1 1 75 75 LEU HD12 H 1 0.626 0.030 . 1 . . . . 75 LEU HD1 . 11116 1 854 . 1 1 75 75 LEU HD13 H 1 0.626 0.030 . 1 . . . . 75 LEU HD1 . 11116 1 855 . 1 1 75 75 LEU HD21 H 1 0.238 0.030 . 1 . . . . 75 LEU HD2 . 11116 1 856 . 1 1 75 75 LEU HD22 H 1 0.238 0.030 . 1 . . . . 75 LEU HD2 . 11116 1 857 . 1 1 75 75 LEU HD23 H 1 0.238 0.030 . 1 . . . . 75 LEU HD2 . 11116 1 858 . 1 1 75 75 LEU HG H 1 2.269 0.030 . 1 . . . . 75 LEU HG . 11116 1 859 . 1 1 75 75 LEU C C 13 178.932 0.300 . 1 . . . . 75 LEU C . 11116 1 860 . 1 1 75 75 LEU CA C 13 57.442 0.300 . 1 . . . . 75 LEU CA . 11116 1 861 . 1 1 75 75 LEU CB C 13 42.913 0.300 . 1 . . . . 75 LEU CB . 11116 1 862 . 1 1 75 75 LEU CD1 C 13 25.807 0.300 . 2 . . . . 75 LEU CD1 . 11116 1 863 . 1 1 75 75 LEU CD2 C 13 21.591 0.300 . 2 . . . . 75 LEU CD2 . 11116 1 864 . 1 1 75 75 LEU CG C 13 26.111 0.300 . 1 . . . . 75 LEU CG . 11116 1 865 . 1 1 75 75 LEU N N 15 121.853 0.300 . 1 . . . . 75 LEU N . 11116 1 866 . 1 1 76 76 ALA H H 1 8.077 0.030 . 1 . . . . 76 ALA H . 11116 1 867 . 1 1 76 76 ALA HA H 1 3.783 0.030 . 1 . . . . 76 ALA HA . 11116 1 868 . 1 1 76 76 ALA HB1 H 1 1.565 0.030 . 1 . . . . 76 ALA HB . 11116 1 869 . 1 1 76 76 ALA HB2 H 1 1.565 0.030 . 1 . . . . 76 ALA HB . 11116 1 870 . 1 1 76 76 ALA HB3 H 1 1.565 0.030 . 1 . . . . 76 ALA HB . 11116 1 871 . 1 1 76 76 ALA C C 13 179.528 0.300 . 1 . . . . 76 ALA C . 11116 1 872 . 1 1 76 76 ALA CA C 13 55.206 0.300 . 1 . . . . 76 ALA CA . 11116 1 873 . 1 1 76 76 ALA CB C 13 18.510 0.300 . 1 . . . . 76 ALA CB . 11116 1 874 . 1 1 76 76 ALA N N 15 118.770 0.300 . 1 . . . . 76 ALA N . 11116 1 875 . 1 1 77 77 SER H H 1 7.828 0.030 . 1 . . . . 77 SER H . 11116 1 876 . 1 1 77 77 SER HA H 1 4.235 0.030 . 1 . . . . 77 SER HA . 11116 1 877 . 1 1 77 77 SER HB2 H 1 3.952 0.030 . 2 . . . . 77 SER HB2 . 11116 1 878 . 1 1 77 77 SER HB3 H 1 3.922 0.030 . 2 . . . . 77 SER HB3 . 11116 1 879 . 1 1 77 77 SER C C 13 177.486 0.300 . 1 . . . . 77 SER C . 11116 1 880 . 1 1 77 77 SER CA C 13 60.711 0.300 . 1 . . . . 77 SER CA . 11116 1 881 . 1 1 77 77 SER CB C 13 63.004 0.300 . 1 . . . . 77 SER CB . 11116 1 882 . 1 1 77 77 SER N N 15 110.746 0.300 . 1 . . . . 77 SER N . 11116 1 883 . 1 1 78 78 ARG H H 1 8.431 0.030 . 1 . . . . 78 ARG H . 11116 1 884 . 1 1 78 78 ARG HA H 1 3.670 0.030 . 1 . . . . 78 ARG HA . 11116 1 885 . 1 1 78 78 ARG HB2 H 1 1.853 0.030 . 2 . . . . 78 ARG HB2 . 11116 1 886 . 1 1 78 78 ARG HB3 H 1 0.938 0.030 . 2 . . . . 78 ARG HB3 . 11116 1 887 . 1 1 78 78 ARG HD2 H 1 2.876 0.030 . 2 . . . . 78 ARG HD2 . 11116 1 888 . 1 1 78 78 ARG HD3 H 1 2.393 0.030 . 2 . . . . 78 ARG HD3 . 11116 1 889 . 1 1 78 78 ARG HG2 H 1 1.368 0.030 . 2 . . . . 78 ARG HG2 . 11116 1 890 . 1 1 78 78 ARG HG3 H 1 0.713 0.030 . 2 . . . . 78 ARG HG3 . 11116 1 891 . 1 1 78 78 ARG C C 13 178.446 0.300 . 1 . . . . 78 ARG C . 11116 1 892 . 1 1 78 78 ARG CA C 13 59.312 0.300 . 1 . . . . 78 ARG CA . 11116 1 893 . 1 1 78 78 ARG CB C 13 31.527 0.300 . 1 . . . . 78 ARG CB . 11116 1 894 . 1 1 78 78 ARG CD C 13 44.179 0.300 . 1 . . . . 78 ARG CD . 11116 1 895 . 1 1 78 78 ARG CG C 13 25.092 0.300 . 1 . . . . 78 ARG CG . 11116 1 896 . 1 1 78 78 ARG N N 15 124.060 0.300 . 1 . . . . 78 ARG N . 11116 1 897 . 1 1 79 79 TYR H H 1 7.488 0.030 . 1 . . . . 79 TYR H . 11116 1 898 . 1 1 79 79 TYR HA H 1 4.667 0.030 . 1 . . . . 79 TYR HA . 11116 1 899 . 1 1 79 79 TYR HB2 H 1 3.037 0.030 . 2 . . . . 79 TYR HB2 . 11116 1 900 . 1 1 79 79 TYR HB3 H 1 2.029 0.030 . 2 . . . . 79 TYR HB3 . 11116 1 901 . 1 1 79 79 TYR HD1 H 1 7.083 0.030 . 1 . . . . 79 TYR HD1 . 11116 1 902 . 1 1 79 79 TYR HD2 H 1 7.083 0.030 . 1 . . . . 79 TYR HD2 . 11116 1 903 . 1 1 79 79 TYR HE1 H 1 6.607 0.030 . 1 . . . . 79 TYR HE1 . 11116 1 904 . 1 1 79 79 TYR HE2 H 1 6.607 0.030 . 1 . . . . 79 TYR HE2 . 11116 1 905 . 1 1 79 79 TYR C C 13 174.838 0.300 . 1 . . . . 79 TYR C . 11116 1 906 . 1 1 79 79 TYR CA C 13 57.756 0.300 . 1 . . . . 79 TYR CA . 11116 1 907 . 1 1 79 79 TYR CB C 13 37.024 0.300 . 1 . . . . 79 TYR CB . 11116 1 908 . 1 1 79 79 TYR CD1 C 13 132.374 0.300 . 1 . . . . 79 TYR CD1 . 11116 1 909 . 1 1 79 79 TYR CD2 C 13 132.374 0.300 . 1 . . . . 79 TYR CD2 . 11116 1 910 . 1 1 79 79 TYR CE1 C 13 118.374 0.300 . 1 . . . . 79 TYR CE1 . 11116 1 911 . 1 1 79 79 TYR CE2 C 13 118.374 0.300 . 1 . . . . 79 TYR CE2 . 11116 1 912 . 1 1 79 79 TYR N N 15 111.325 0.300 . 1 . . . . 79 TYR N . 11116 1 913 . 1 1 80 80 GLY H H 1 7.321 0.030 . 1 . . . . 80 GLY H . 11116 1 914 . 1 1 80 80 GLY HA2 H 1 3.821 0.030 . 2 . . . . 80 GLY HA2 . 11116 1 915 . 1 1 80 80 GLY HA3 H 1 3.626 0.030 . 2 . . . . 80 GLY HA3 . 11116 1 916 . 1 1 80 80 GLY C C 13 174.949 0.300 . 1 . . . . 80 GLY C . 11116 1 917 . 1 1 80 80 GLY CA C 13 47.606 0.300 . 1 . . . . 80 GLY CA . 11116 1 918 . 1 1 80 80 GLY N N 15 109.657 0.300 . 1 . . . . 80 GLY N . 11116 1 919 . 1 1 81 81 ILE H H 1 8.214 0.030 . 1 . . . . 81 ILE H . 11116 1 920 . 1 1 81 81 ILE HA H 1 3.708 0.030 . 1 . . . . 81 ILE HA . 11116 1 921 . 1 1 81 81 ILE HB H 1 1.949 0.030 . 1 . . . . 81 ILE HB . 11116 1 922 . 1 1 81 81 ILE HD11 H 1 -0.105 0.030 . 1 . . . . 81 ILE HD1 . 11116 1 923 . 1 1 81 81 ILE HD12 H 1 -0.105 0.030 . 1 . . . . 81 ILE HD1 . 11116 1 924 . 1 1 81 81 ILE HD13 H 1 -0.105 0.030 . 1 . . . . 81 ILE HD1 . 11116 1 925 . 1 1 81 81 ILE HG12 H 1 1.329 0.030 . 2 . . . . 81 ILE HG12 . 11116 1 926 . 1 1 81 81 ILE HG13 H 1 0.607 0.030 . 2 . . . . 81 ILE HG13 . 11116 1 927 . 1 1 81 81 ILE HG21 H 1 0.634 0.030 . 1 . . . . 81 ILE HG2 . 11116 1 928 . 1 1 81 81 ILE HG22 H 1 0.634 0.030 . 1 . . . . 81 ILE HG2 . 11116 1 929 . 1 1 81 81 ILE HG23 H 1 0.634 0.030 . 1 . . . . 81 ILE HG2 . 11116 1 930 . 1 1 81 81 ILE C C 13 176.142 0.300 . 1 . . . . 81 ILE C . 11116 1 931 . 1 1 81 81 ILE CA C 13 59.558 0.300 . 1 . . . . 81 ILE CA . 11116 1 932 . 1 1 81 81 ILE CB C 13 34.279 0.300 . 1 . . . . 81 ILE CB . 11116 1 933 . 1 1 81 81 ILE CD1 C 13 8.791 0.300 . 1 . . . . 81 ILE CD1 . 11116 1 934 . 1 1 81 81 ILE CG1 C 13 27.499 0.300 . 1 . . . . 81 ILE CG1 . 11116 1 935 . 1 1 81 81 ILE CG2 C 13 18.436 0.300 . 1 . . . . 81 ILE CG2 . 11116 1 936 . 1 1 81 81 ILE N N 15 117.835 0.300 . 1 . . . . 81 ILE N . 11116 1 937 . 1 1 82 82 ARG H H 1 8.710 0.030 . 1 . . . . 82 ARG H . 11116 1 938 . 1 1 82 82 ARG HA H 1 4.336 0.030 . 1 . . . . 82 ARG HA . 11116 1 939 . 1 1 82 82 ARG HB2 H 1 1.818 0.030 . 2 . . . . 82 ARG HB2 . 11116 1 940 . 1 1 82 82 ARG HB3 H 1 1.558 0.030 . 2 . . . . 82 ARG HB3 . 11116 1 941 . 1 1 82 82 ARG HD2 H 1 3.093 0.030 . 1 . . . . 82 ARG HD2 . 11116 1 942 . 1 1 82 82 ARG HD3 H 1 3.093 0.030 . 1 . . . . 82 ARG HD3 . 11116 1 943 . 1 1 82 82 ARG HG2 H 1 1.477 0.030 . 1 . . . . 82 ARG HG2 . 11116 1 944 . 1 1 82 82 ARG HG3 H 1 1.477 0.030 . 1 . . . . 82 ARG HG3 . 11116 1 945 . 1 1 82 82 ARG C C 13 174.721 0.300 . 1 . . . . 82 ARG C . 11116 1 946 . 1 1 82 82 ARG CA C 13 55.234 0.300 . 1 . . . . 82 ARG CA . 11116 1 947 . 1 1 82 82 ARG CB C 13 31.786 0.300 . 1 . . . . 82 ARG CB . 11116 1 948 . 1 1 82 82 ARG CD C 13 43.073 0.300 . 1 . . . . 82 ARG CD . 11116 1 949 . 1 1 82 82 ARG CG C 13 26.670 0.300 . 1 . . . . 82 ARG CG . 11116 1 950 . 1 1 82 82 ARG N N 15 128.279 0.300 . 1 . . . . 82 ARG N . 11116 1 951 . 1 1 83 83 GLY H H 1 7.133 0.030 . 1 . . . . 83 GLY H . 11116 1 952 . 1 1 83 83 GLY HA2 H 1 3.573 0.030 . 1 . . . . 83 GLY HA2 . 11116 1 953 . 1 1 83 83 GLY HA3 H 1 3.573 0.030 . 1 . . . . 83 GLY HA3 . 11116 1 954 . 1 1 83 83 GLY C C 13 171.179 0.300 . 1 . . . . 83 GLY C . 11116 1 955 . 1 1 83 83 GLY CA C 13 43.827 0.300 . 1 . . . . 83 GLY CA . 11116 1 956 . 1 1 83 83 GLY N N 15 107.520 0.300 . 1 . . . . 83 GLY N . 11116 1 957 . 1 1 84 84 PHE H H 1 8.328 0.030 . 1 . . . . 84 PHE H . 11116 1 958 . 1 1 84 84 PHE HA H 1 5.051 0.030 . 1 . . . . 84 PHE HA . 11116 1 959 . 1 1 84 84 PHE HB2 H 1 3.022 0.030 . 2 . . . . 84 PHE HB2 . 11116 1 960 . 1 1 84 84 PHE HB3 H 1 2.870 0.030 . 2 . . . . 84 PHE HB3 . 11116 1 961 . 1 1 84 84 PHE HD1 H 1 6.951 0.030 . 1 . . . . 84 PHE HD1 . 11116 1 962 . 1 1 84 84 PHE HD2 H 1 6.951 0.030 . 1 . . . . 84 PHE HD2 . 11116 1 963 . 1 1 84 84 PHE HE1 H 1 7.059 0.030 . 1 . . . . 84 PHE HE1 . 11116 1 964 . 1 1 84 84 PHE HE2 H 1 7.059 0.030 . 1 . . . . 84 PHE HE2 . 11116 1 965 . 1 1 84 84 PHE HZ H 1 7.044 0.030 . 1 . . . . 84 PHE HZ . 11116 1 966 . 1 1 84 84 PHE C C 13 173.237 0.300 . 1 . . . . 84 PHE C . 11116 1 967 . 1 1 84 84 PHE CA C 13 54.021 0.300 . 1 . . . . 84 PHE CA . 11116 1 968 . 1 1 84 84 PHE CB C 13 42.388 0.300 . 1 . . . . 84 PHE CB . 11116 1 969 . 1 1 84 84 PHE CD1 C 13 132.047 0.300 . 1 . . . . 84 PHE CD1 . 11116 1 970 . 1 1 84 84 PHE CD2 C 13 132.047 0.300 . 1 . . . . 84 PHE CD2 . 11116 1 971 . 1 1 84 84 PHE CE1 C 13 130.930 0.300 . 1 . . . . 84 PHE CE1 . 11116 1 972 . 1 1 84 84 PHE CE2 C 13 130.930 0.300 . 1 . . . . 84 PHE CE2 . 11116 1 973 . 1 1 84 84 PHE CZ C 13 128.917 0.300 . 1 . . . . 84 PHE CZ . 11116 1 974 . 1 1 84 84 PHE N N 15 117.283 0.300 . 1 . . . . 84 PHE N . 11116 1 975 . 1 1 85 85 PRO HA H 1 5.179 0.030 . 1 . . . . 85 PRO HA . 11116 1 976 . 1 1 85 85 PRO HB2 H 1 2.812 0.030 . 2 . . . . 85 PRO HB2 . 11116 1 977 . 1 1 85 85 PRO HB3 H 1 1.643 0.030 . 2 . . . . 85 PRO HB3 . 11116 1 978 . 1 1 85 85 PRO HD2 H 1 3.791 0.030 . 2 . . . . 85 PRO HD2 . 11116 1 979 . 1 1 85 85 PRO HD3 H 1 3.427 0.030 . 2 . . . . 85 PRO HD3 . 11116 1 980 . 1 1 85 85 PRO HG2 H 1 1.891 0.030 . 1 . . . . 85 PRO HG2 . 11116 1 981 . 1 1 85 85 PRO HG3 H 1 1.891 0.030 . 1 . . . . 85 PRO HG3 . 11116 1 982 . 1 1 85 85 PRO C C 13 177.310 0.300 . 1 . . . . 85 PRO C . 11116 1 983 . 1 1 85 85 PRO CA C 13 63.172 0.300 . 1 . . . . 85 PRO CA . 11116 1 984 . 1 1 85 85 PRO CB C 13 34.315 0.300 . 1 . . . . 85 PRO CB . 11116 1 985 . 1 1 85 85 PRO CD C 13 49.690 0.300 . 1 . . . . 85 PRO CD . 11116 1 986 . 1 1 85 85 PRO CG C 13 24.633 0.300 . 1 . . . . 85 PRO CG . 11116 1 987 . 1 1 86 86 THR H H 1 8.692 0.030 . 1 . . . . 86 THR H . 11116 1 988 . 1 1 86 86 THR HA H 1 4.548 0.030 . 1 . . . . 86 THR HA . 11116 1 989 . 1 1 86 86 THR HB H 1 4.020 0.030 . 1 . . . . 86 THR HB . 11116 1 990 . 1 1 86 86 THR HG21 H 1 1.199 0.030 . 1 . . . . 86 THR HG2 . 11116 1 991 . 1 1 86 86 THR HG22 H 1 1.199 0.030 . 1 . . . . 86 THR HG2 . 11116 1 992 . 1 1 86 86 THR HG23 H 1 1.199 0.030 . 1 . . . . 86 THR HG2 . 11116 1 993 . 1 1 86 86 THR C C 13 172.604 0.300 . 1 . . . . 86 THR C . 11116 1 994 . 1 1 86 86 THR CA C 13 63.369 0.300 . 1 . . . . 86 THR CA . 11116 1 995 . 1 1 86 86 THR CB C 13 72.233 0.300 . 1 . . . . 86 THR CB . 11116 1 996 . 1 1 86 86 THR CG2 C 13 21.444 0.300 . 1 . . . . 86 THR CG2 . 11116 1 997 . 1 1 86 86 THR N N 15 116.926 0.300 . 1 . . . . 86 THR N . 11116 1 998 . 1 1 87 87 ILE H H 1 9.640 0.030 . 1 . . . . 87 ILE H . 11116 1 999 . 1 1 87 87 ILE HA H 1 5.434 0.030 . 1 . . . . 87 ILE HA . 11116 1 1000 . 1 1 87 87 ILE HB H 1 2.061 0.030 . 1 . . . . 87 ILE HB . 11116 1 1001 . 1 1 87 87 ILE HD11 H 1 0.853 0.030 . 1 . . . . 87 ILE HD1 . 11116 1 1002 . 1 1 87 87 ILE HD12 H 1 0.853 0.030 . 1 . . . . 87 ILE HD1 . 11116 1 1003 . 1 1 87 87 ILE HD13 H 1 0.853 0.030 . 1 . . . . 87 ILE HD1 . 11116 1 1004 . 1 1 87 87 ILE HG12 H 1 1.365 0.030 . 2 . . . . 87 ILE HG12 . 11116 1 1005 . 1 1 87 87 ILE HG13 H 1 0.506 0.030 . 2 . . . . 87 ILE HG13 . 11116 1 1006 . 1 1 87 87 ILE HG21 H 1 0.890 0.030 . 1 . . . . 87 ILE HG2 . 11116 1 1007 . 1 1 87 87 ILE HG22 H 1 0.890 0.030 . 1 . . . . 87 ILE HG2 . 11116 1 1008 . 1 1 87 87 ILE HG23 H 1 0.890 0.030 . 1 . . . . 87 ILE HG2 . 11116 1 1009 . 1 1 87 87 ILE C C 13 174.717 0.300 . 1 . . . . 87 ILE C . 11116 1 1010 . 1 1 87 87 ILE CA C 13 59.984 0.300 . 1 . . . . 87 ILE CA . 11116 1 1011 . 1 1 87 87 ILE CB C 13 40.186 0.300 . 1 . . . . 87 ILE CB . 11116 1 1012 . 1 1 87 87 ILE CD1 C 13 14.347 0.300 . 1 . . . . 87 ILE CD1 . 11116 1 1013 . 1 1 87 87 ILE CG1 C 13 27.871 0.300 . 1 . . . . 87 ILE CG1 . 11116 1 1014 . 1 1 87 87 ILE CG2 C 13 18.484 0.300 . 1 . . . . 87 ILE CG2 . 11116 1 1015 . 1 1 87 87 ILE N N 15 130.253 0.300 . 1 . . . . 87 ILE N . 11116 1 1016 . 1 1 88 88 LYS H H 1 9.153 0.030 . 1 . . . . 88 LYS H . 11116 1 1017 . 1 1 88 88 LYS HA H 1 5.370 0.030 . 1 . . . . 88 LYS HA . 11116 1 1018 . 1 1 88 88 LYS HB2 H 1 1.812 0.030 . 2 . . . . 88 LYS HB2 . 11116 1 1019 . 1 1 88 88 LYS HB3 H 1 1.301 0.030 . 2 . . . . 88 LYS HB3 . 11116 1 1020 . 1 1 88 88 LYS HD2 H 1 1.443 0.030 . 2 . . . . 88 LYS HD2 . 11116 1 1021 . 1 1 88 88 LYS HD3 H 1 1.152 0.030 . 2 . . . . 88 LYS HD3 . 11116 1 1022 . 1 1 88 88 LYS HE2 H 1 2.838 0.030 . 2 . . . . 88 LYS HE2 . 11116 1 1023 . 1 1 88 88 LYS HE3 H 1 2.449 0.030 . 2 . . . . 88 LYS HE3 . 11116 1 1024 . 1 1 88 88 LYS HG2 H 1 1.592 0.030 . 2 . . . . 88 LYS HG2 . 11116 1 1025 . 1 1 88 88 LYS HG3 H 1 1.164 0.030 . 2 . . . . 88 LYS HG3 . 11116 1 1026 . 1 1 88 88 LYS C C 13 174.625 0.300 . 1 . . . . 88 LYS C . 11116 1 1027 . 1 1 88 88 LYS CA C 13 53.718 0.300 . 1 . . . . 88 LYS CA . 11116 1 1028 . 1 1 88 88 LYS CB C 13 38.463 0.300 . 1 . . . . 88 LYS CB . 11116 1 1029 . 1 1 88 88 LYS CD C 13 29.051 0.300 . 1 . . . . 88 LYS CD . 11116 1 1030 . 1 1 88 88 LYS CE C 13 42.210 0.300 . 1 . . . . 88 LYS CE . 11116 1 1031 . 1 1 88 88 LYS CG C 13 25.959 0.300 . 1 . . . . 88 LYS CG . 11116 1 1032 . 1 1 88 88 LYS N N 15 125.521 0.300 . 1 . . . . 88 LYS N . 11116 1 1033 . 1 1 89 89 ILE H H 1 9.390 0.030 . 1 . . . . 89 ILE H . 11116 1 1034 . 1 1 89 89 ILE HA H 1 4.990 0.030 . 1 . . . . 89 ILE HA . 11116 1 1035 . 1 1 89 89 ILE HB H 1 1.794 0.030 . 1 . . . . 89 ILE HB . 11116 1 1036 . 1 1 89 89 ILE HD11 H 1 1.002 0.030 . 1 . . . . 89 ILE HD1 . 11116 1 1037 . 1 1 89 89 ILE HD12 H 1 1.002 0.030 . 1 . . . . 89 ILE HD1 . 11116 1 1038 . 1 1 89 89 ILE HD13 H 1 1.002 0.030 . 1 . . . . 89 ILE HD1 . 11116 1 1039 . 1 1 89 89 ILE HG12 H 1 1.679 0.030 . 2 . . . . 89 ILE HG12 . 11116 1 1040 . 1 1 89 89 ILE HG13 H 1 0.970 0.030 . 2 . . . . 89 ILE HG13 . 11116 1 1041 . 1 1 89 89 ILE HG21 H 1 0.844 0.030 . 1 . . . . 89 ILE HG2 . 11116 1 1042 . 1 1 89 89 ILE HG22 H 1 0.844 0.030 . 1 . . . . 89 ILE HG2 . 11116 1 1043 . 1 1 89 89 ILE HG23 H 1 0.844 0.030 . 1 . . . . 89 ILE HG2 . 11116 1 1044 . 1 1 89 89 ILE C C 13 175.626 0.300 . 1 . . . . 89 ILE C . 11116 1 1045 . 1 1 89 89 ILE CA C 13 60.761 0.300 . 1 . . . . 89 ILE CA . 11116 1 1046 . 1 1 89 89 ILE CB C 13 39.985 0.300 . 1 . . . . 89 ILE CB . 11116 1 1047 . 1 1 89 89 ILE CD1 C 13 14.449 0.300 . 1 . . . . 89 ILE CD1 . 11116 1 1048 . 1 1 89 89 ILE CG1 C 13 28.323 0.300 . 1 . . . . 89 ILE CG1 . 11116 1 1049 . 1 1 89 89 ILE CG2 C 13 18.091 0.300 . 1 . . . . 89 ILE CG2 . 11116 1 1050 . 1 1 89 89 ILE N N 15 121.841 0.300 . 1 . . . . 89 ILE N . 11116 1 1051 . 1 1 90 90 PHE H H 1 9.894 0.030 . 1 . . . . 90 PHE H . 11116 1 1052 . 1 1 90 90 PHE HA H 1 4.838 0.030 . 1 . . . . 90 PHE HA . 11116 1 1053 . 1 1 90 90 PHE HB2 H 1 3.088 0.030 . 2 . . . . 90 PHE HB2 . 11116 1 1054 . 1 1 90 90 PHE HB3 H 1 2.996 0.030 . 2 . . . . 90 PHE HB3 . 11116 1 1055 . 1 1 90 90 PHE HD1 H 1 7.310 0.030 . 1 . . . . 90 PHE HD1 . 11116 1 1056 . 1 1 90 90 PHE HD2 H 1 7.310 0.030 . 1 . . . . 90 PHE HD2 . 11116 1 1057 . 1 1 90 90 PHE HE1 H 1 7.100 0.030 . 1 . . . . 90 PHE HE1 . 11116 1 1058 . 1 1 90 90 PHE HE2 H 1 7.100 0.030 . 1 . . . . 90 PHE HE2 . 11116 1 1059 . 1 1 90 90 PHE HZ H 1 6.054 0.030 . 1 . . . . 90 PHE HZ . 11116 1 1060 . 1 1 90 90 PHE C C 13 173.939 0.300 . 1 . . . . 90 PHE C . 11116 1 1061 . 1 1 90 90 PHE CA C 13 57.476 0.300 . 1 . . . . 90 PHE CA . 11116 1 1062 . 1 1 90 90 PHE CB C 13 41.155 0.300 . 1 . . . . 90 PHE CB . 11116 1 1063 . 1 1 90 90 PHE CD1 C 13 132.570 0.300 . 1 . . . . 90 PHE CD1 . 11116 1 1064 . 1 1 90 90 PHE CD2 C 13 132.570 0.300 . 1 . . . . 90 PHE CD2 . 11116 1 1065 . 1 1 90 90 PHE CE1 C 13 130.801 0.300 . 1 . . . . 90 PHE CE1 . 11116 1 1066 . 1 1 90 90 PHE CE2 C 13 130.801 0.300 . 1 . . . . 90 PHE CE2 . 11116 1 1067 . 1 1 90 90 PHE CZ C 13 128.218 0.300 . 1 . . . . 90 PHE CZ . 11116 1 1068 . 1 1 90 90 PHE N N 15 129.349 0.300 . 1 . . . . 90 PHE N . 11116 1 1069 . 1 1 91 91 GLN H H 1 8.302 0.030 . 1 . . . . 91 GLN H . 11116 1 1070 . 1 1 91 91 GLN HA H 1 4.850 0.030 . 1 . . . . 91 GLN HA . 11116 1 1071 . 1 1 91 91 GLN HB2 H 1 2.157 0.030 . 2 . . . . 91 GLN HB2 . 11116 1 1072 . 1 1 91 91 GLN HB3 H 1 1.890 0.030 . 2 . . . . 91 GLN HB3 . 11116 1 1073 . 1 1 91 91 GLN HE21 H 1 7.700 0.030 . 2 . . . . 91 GLN HE21 . 11116 1 1074 . 1 1 91 91 GLN HE22 H 1 6.807 0.030 . 2 . . . . 91 GLN HE22 . 11116 1 1075 . 1 1 91 91 GLN HG2 H 1 2.302 0.030 . 2 . . . . 91 GLN HG2 . 11116 1 1076 . 1 1 91 91 GLN HG3 H 1 2.229 0.030 . 2 . . . . 91 GLN HG3 . 11116 1 1077 . 1 1 91 91 GLN C C 13 174.898 0.300 . 1 . . . . 91 GLN C . 11116 1 1078 . 1 1 91 91 GLN CA C 13 54.652 0.300 . 1 . . . . 91 GLN CA . 11116 1 1079 . 1 1 91 91 GLN CB C 13 32.915 0.300 . 1 . . . . 91 GLN CB . 11116 1 1080 . 1 1 91 91 GLN CG C 13 34.628 0.300 . 1 . . . . 91 GLN CG . 11116 1 1081 . 1 1 91 91 GLN N N 15 121.484 0.300 . 1 . . . . 91 GLN N . 11116 1 1082 . 1 1 91 91 GLN NE2 N 15 110.551 0.300 . 1 . . . . 91 GLN NE2 . 11116 1 1083 . 1 1 92 92 LYS H H 1 9.047 0.030 . 1 . . . . 92 LYS H . 11116 1 1084 . 1 1 92 92 LYS HA H 1 4.175 0.030 . 1 . . . . 92 LYS HA . 11116 1 1085 . 1 1 92 92 LYS HB2 H 1 2.117 0.030 . 2 . . . . 92 LYS HB2 . 11116 1 1086 . 1 1 92 92 LYS HB3 H 1 1.845 0.030 . 2 . . . . 92 LYS HB3 . 11116 1 1087 . 1 1 92 92 LYS HD2 H 1 1.679 0.030 . 2 . . . . 92 LYS HD2 . 11116 1 1088 . 1 1 92 92 LYS HE2 H 1 2.985 0.030 . 1 . . . . 92 LYS HE2 . 11116 1 1089 . 1 1 92 92 LYS HE3 H 1 2.985 0.030 . 1 . . . . 92 LYS HE3 . 11116 1 1090 . 1 1 92 92 LYS HG2 H 1 1.477 0.030 . 2 . . . . 92 LYS HG2 . 11116 1 1091 . 1 1 92 92 LYS HG3 H 1 1.397 0.030 . 2 . . . . 92 LYS HG3 . 11116 1 1092 . 1 1 92 92 LYS C C 13 177.870 0.300 . 1 . . . . 92 LYS C . 11116 1 1093 . 1 1 92 92 LYS CA C 13 58.622 0.300 . 1 . . . . 92 LYS CA . 11116 1 1094 . 1 1 92 92 LYS CB C 13 32.094 0.300 . 1 . . . . 92 LYS CB . 11116 1 1095 . 1 1 92 92 LYS CD C 13 29.690 0.300 . 1 . . . . 92 LYS CD . 11116 1 1096 . 1 1 92 92 LYS CE C 13 42.210 0.300 . 1 . . . . 92 LYS CE . 11116 1 1097 . 1 1 92 92 LYS CG C 13 24.856 0.300 . 1 . . . . 92 LYS CG . 11116 1 1098 . 1 1 92 92 LYS N N 15 125.357 0.300 . 1 . . . . 92 LYS N . 11116 1 1099 . 1 1 93 93 GLY H H 1 9.101 0.030 . 1 . . . . 93 GLY H . 11116 1 1100 . 1 1 93 93 GLY HA2 H 1 4.228 0.030 . 2 . . . . 93 GLY HA2 . 11116 1 1101 . 1 1 93 93 GLY HA3 H 1 3.799 0.030 . 2 . . . . 93 GLY HA3 . 11116 1 1102 . 1 1 93 93 GLY C C 13 173.787 0.300 . 1 . . . . 93 GLY C . 11116 1 1103 . 1 1 93 93 GLY CA C 13 45.577 0.300 . 1 . . . . 93 GLY CA . 11116 1 1104 . 1 1 93 93 GLY N N 15 113.808 0.300 . 1 . . . . 93 GLY N . 11116 1 1105 . 1 1 94 94 GLU H H 1 8.010 0.030 . 1 . . . . 94 GLU H . 11116 1 1106 . 1 1 94 94 GLU HA H 1 4.807 0.030 . 1 . . . . 94 GLU HA . 11116 1 1107 . 1 1 94 94 GLU HB2 H 1 2.212 0.030 . 2 . . . . 94 GLU HB2 . 11116 1 1108 . 1 1 94 94 GLU HB3 H 1 1.827 0.030 . 2 . . . . 94 GLU HB3 . 11116 1 1109 . 1 1 94 94 GLU HG2 H 1 2.247 0.030 . 2 . . . . 94 GLU HG2 . 11116 1 1110 . 1 1 94 94 GLU HG3 H 1 2.105 0.030 . 2 . . . . 94 GLU HG3 . 11116 1 1111 . 1 1 94 94 GLU C C 13 177.042 0.300 . 1 . . . . 94 GLU C . 11116 1 1112 . 1 1 94 94 GLU CA C 13 53.937 0.300 . 1 . . . . 94 GLU CA . 11116 1 1113 . 1 1 94 94 GLU CB C 13 32.162 0.300 . 1 . . . . 94 GLU CB . 11116 1 1114 . 1 1 94 94 GLU CG C 13 35.043 0.300 . 1 . . . . 94 GLU CG . 11116 1 1115 . 1 1 94 94 GLU N N 15 118.462 0.300 . 1 . . . . 94 GLU N . 11116 1 1116 . 1 1 95 95 SER H H 1 8.832 0.030 . 1 . . . . 95 SER H . 11116 1 1117 . 1 1 95 95 SER HB2 H 1 3.982 0.030 . 2 . . . . 95 SER HB2 . 11116 1 1118 . 1 1 95 95 SER HB3 H 1 3.832 0.030 . 2 . . . . 95 SER HB3 . 11116 1 1119 . 1 1 95 95 SER C C 13 172.813 0.300 . 1 . . . . 95 SER C . 11116 1 1120 . 1 1 95 95 SER CA C 13 57.763 0.300 . 1 . . . . 95 SER CA . 11116 1 1121 . 1 1 95 95 SER CB C 13 62.251 0.300 . 1 . . . . 95 SER CB . 11116 1 1122 . 1 1 95 95 SER N N 15 119.118 0.300 . 1 . . . . 95 SER N . 11116 1 1123 . 1 1 96 96 PRO HA H 1 4.395 0.030 . 1 . . . . 96 PRO HA . 11116 1 1124 . 1 1 96 96 PRO HB2 H 1 1.278 0.030 . 2 . . . . 96 PRO HB2 . 11116 1 1125 . 1 1 96 96 PRO HB3 H 1 0.873 0.030 . 2 . . . . 96 PRO HB3 . 11116 1 1126 . 1 1 96 96 PRO HD2 H 1 3.973 0.030 . 2 . . . . 96 PRO HD2 . 11116 1 1127 . 1 1 96 96 PRO HD3 H 1 3.774 0.030 . 2 . . . . 96 PRO HD3 . 11116 1 1128 . 1 1 96 96 PRO HG2 H 1 2.094 0.030 . 2 . . . . 96 PRO HG2 . 11116 1 1129 . 1 1 96 96 PRO HG3 H 1 1.942 0.030 . 2 . . . . 96 PRO HG3 . 11116 1 1130 . 1 1 96 96 PRO C C 13 176.643 0.300 . 1 . . . . 96 PRO C . 11116 1 1131 . 1 1 96 96 PRO CA C 13 63.035 0.300 . 1 . . . . 96 PRO CA . 11116 1 1132 . 1 1 96 96 PRO CB C 13 31.222 0.300 . 1 . . . . 96 PRO CB . 11116 1 1133 . 1 1 96 96 PRO CD C 13 50.417 0.300 . 1 . . . . 96 PRO CD . 11116 1 1134 . 1 1 96 96 PRO CG C 13 28.249 0.300 . 1 . . . . 96 PRO CG . 11116 1 1135 . 1 1 97 97 VAL H H 1 8.077 0.030 . 1 . . . . 97 VAL H . 11116 1 1136 . 1 1 97 97 VAL HA H 1 4.521 0.030 . 1 . . . . 97 VAL HA . 11116 1 1137 . 1 1 97 97 VAL HB H 1 2.007 0.030 . 1 . . . . 97 VAL HB . 11116 1 1138 . 1 1 97 97 VAL HG11 H 1 0.955 0.030 . 1 . . . . 97 VAL HG1 . 11116 1 1139 . 1 1 97 97 VAL HG12 H 1 0.955 0.030 . 1 . . . . 97 VAL HG1 . 11116 1 1140 . 1 1 97 97 VAL HG13 H 1 0.955 0.030 . 1 . . . . 97 VAL HG1 . 11116 1 1141 . 1 1 97 97 VAL HG21 H 1 0.945 0.030 . 1 . . . . 97 VAL HG2 . 11116 1 1142 . 1 1 97 97 VAL HG22 H 1 0.945 0.030 . 1 . . . . 97 VAL HG2 . 11116 1 1143 . 1 1 97 97 VAL HG23 H 1 0.945 0.030 . 1 . . . . 97 VAL HG2 . 11116 1 1144 . 1 1 97 97 VAL C C 13 175.071 0.300 . 1 . . . . 97 VAL C . 11116 1 1145 . 1 1 97 97 VAL CA C 13 59.662 0.300 . 1 . . . . 97 VAL CA . 11116 1 1146 . 1 1 97 97 VAL CB C 13 35.755 0.300 . 1 . . . . 97 VAL CB . 11116 1 1147 . 1 1 97 97 VAL CG1 C 13 20.601 0.300 . 2 . . . . 97 VAL CG1 . 11116 1 1148 . 1 1 97 97 VAL CG2 C 13 21.032 0.300 . 2 . . . . 97 VAL CG2 . 11116 1 1149 . 1 1 97 97 VAL N N 15 119.769 0.300 . 1 . . . . 97 VAL N . 11116 1 1150 . 1 1 98 98 ASP H H 1 8.735 0.030 . 1 . . . . 98 ASP H . 11116 1 1151 . 1 1 98 98 ASP HA H 1 4.997 0.030 . 1 . . . . 98 ASP HA . 11116 1 1152 . 1 1 98 98 ASP HB2 H 1 2.491 0.030 . 1 . . . . 98 ASP HB2 . 11116 1 1153 . 1 1 98 98 ASP HB3 H 1 2.491 0.030 . 1 . . . . 98 ASP HB3 . 11116 1 1154 . 1 1 98 98 ASP C C 13 176.688 0.300 . 1 . . . . 98 ASP C . 11116 1 1155 . 1 1 98 98 ASP CA C 13 55.120 0.300 . 1 . . . . 98 ASP CA . 11116 1 1156 . 1 1 98 98 ASP CB C 13 40.924 0.300 . 1 . . . . 98 ASP CB . 11116 1 1157 . 1 1 98 98 ASP N N 15 124.825 0.300 . 1 . . . . 98 ASP N . 11116 1 1158 . 1 1 99 99 TYR H H 1 8.806 0.030 . 1 . . . . 99 TYR H . 11116 1 1159 . 1 1 99 99 TYR HA H 1 4.636 0.030 . 1 . . . . 99 TYR HA . 11116 1 1160 . 1 1 99 99 TYR HB2 H 1 2.916 0.030 . 2 . . . . 99 TYR HB2 . 11116 1 1161 . 1 1 99 99 TYR HB3 H 1 2.757 0.030 . 2 . . . . 99 TYR HB3 . 11116 1 1162 . 1 1 99 99 TYR HD1 H 1 7.112 0.030 . 1 . . . . 99 TYR HD1 . 11116 1 1163 . 1 1 99 99 TYR HD2 H 1 7.112 0.030 . 1 . . . . 99 TYR HD2 . 11116 1 1164 . 1 1 99 99 TYR HE1 H 1 6.643 0.030 . 1 . . . . 99 TYR HE1 . 11116 1 1165 . 1 1 99 99 TYR HE2 H 1 6.643 0.030 . 1 . . . . 99 TYR HE2 . 11116 1 1166 . 1 1 99 99 TYR C C 13 174.450 0.300 . 1 . . . . 99 TYR C . 11116 1 1167 . 1 1 99 99 TYR CA C 13 57.617 0.300 . 1 . . . . 99 TYR CA . 11116 1 1168 . 1 1 99 99 TYR CB C 13 38.514 0.300 . 1 . . . . 99 TYR CB . 11116 1 1169 . 1 1 99 99 TYR CD1 C 13 132.943 0.300 . 1 . . . . 99 TYR CD1 . 11116 1 1170 . 1 1 99 99 TYR CD2 C 13 132.943 0.300 . 1 . . . . 99 TYR CD2 . 11116 1 1171 . 1 1 99 99 TYR CE1 C 13 118.165 0.300 . 1 . . . . 99 TYR CE1 . 11116 1 1172 . 1 1 99 99 TYR CE2 C 13 118.165 0.300 . 1 . . . . 99 TYR CE2 . 11116 1 1173 . 1 1 99 99 TYR N N 15 122.840 0.300 . 1 . . . . 99 TYR N . 11116 1 1174 . 1 1 100 100 ASP HA H 1 4.696 0.030 . 1 . . . . 100 ASP HA . 11116 1 1175 . 1 1 100 100 ASP HB2 H 1 2.661 0.030 . 2 . . . . 100 ASP HB2 . 11116 1 1176 . 1 1 100 100 ASP HB3 H 1 2.516 0.030 . 2 . . . . 100 ASP HB3 . 11116 1 1177 . 1 1 100 100 ASP CA C 13 52.954 0.300 . 1 . . . . 100 ASP CA . 11116 1 1178 . 1 1 100 100 ASP CB C 13 41.121 0.300 . 1 . . . . 100 ASP CB . 11116 1 1179 . 1 1 101 101 GLY H H 1 4.995 0.030 . 1 . . . . 101 GLY H . 11116 1 1180 . 1 1 101 101 GLY HA2 H 1 4.099 0.030 . 2 . . . . 101 GLY HA2 . 11116 1 1181 . 1 1 101 101 GLY HA3 H 1 3.491 0.030 . 2 . . . . 101 GLY HA3 . 11116 1 1182 . 1 1 101 101 GLY C C 13 173.467 0.300 . 1 . . . . 101 GLY C . 11116 1 1183 . 1 1 101 101 GLY CA C 13 44.450 0.300 . 1 . . . . 101 GLY CA . 11116 1 1184 . 1 1 102 102 GLY H H 1 8.611 0.030 . 1 . . . . 102 GLY H . 11116 1 1185 . 1 1 102 102 GLY HA2 H 1 4.072 0.030 . 2 . . . . 102 GLY HA2 . 11116 1 1186 . 1 1 102 102 GLY HA3 H 1 4.028 0.030 . 2 . . . . 102 GLY HA3 . 11116 1 1187 . 1 1 102 102 GLY C C 13 175.748 0.300 . 1 . . . . 102 GLY C . 11116 1 1188 . 1 1 102 102 GLY CA C 13 45.579 0.300 . 1 . . . . 102 GLY CA . 11116 1 1189 . 1 1 102 102 GLY N N 15 104.715 0.300 . 1 . . . . 102 GLY N . 11116 1 1190 . 1 1 103 103 ARG H H 1 9.031 0.030 . 1 . . . . 103 ARG H . 11116 1 1191 . 1 1 103 103 ARG HA H 1 4.603 0.030 . 1 . . . . 103 ARG HA . 11116 1 1192 . 1 1 103 103 ARG HB2 H 1 2.276 0.030 . 2 . . . . 103 ARG HB2 . 11116 1 1193 . 1 1 103 103 ARG HB3 H 1 1.742 0.030 . 2 . . . . 103 ARG HB3 . 11116 1 1194 . 1 1 103 103 ARG HD2 H 1 3.299 0.030 . 2 . . . . 103 ARG HD2 . 11116 1 1195 . 1 1 103 103 ARG HD3 H 1 3.199 0.030 . 2 . . . . 103 ARG HD3 . 11116 1 1196 . 1 1 103 103 ARG HG2 H 1 1.864 0.030 . 2 . . . . 103 ARG HG2 . 11116 1 1197 . 1 1 103 103 ARG HG3 H 1 1.539 0.030 . 2 . . . . 103 ARG HG3 . 11116 1 1198 . 1 1 103 103 ARG C C 13 174.919 0.300 . 1 . . . . 103 ARG C . 11116 1 1199 . 1 1 103 103 ARG CA C 13 55.662 0.300 . 1 . . . . 103 ARG CA . 11116 1 1200 . 1 1 103 103 ARG CB C 13 29.225 0.300 . 1 . . . . 103 ARG CB . 11116 1 1201 . 1 1 103 103 ARG CD C 13 44.180 0.300 . 1 . . . . 103 ARG CD . 11116 1 1202 . 1 1 103 103 ARG CG C 13 28.888 0.300 . 1 . . . . 103 ARG CG . 11116 1 1203 . 1 1 103 103 ARG N N 15 123.396 0.300 . 1 . . . . 103 ARG N . 11116 1 1204 . 1 1 104 104 THR H H 1 7.616 0.030 . 1 . . . . 104 THR H . 11116 1 1205 . 1 1 104 104 THR HA H 1 4.709 0.030 . 1 . . . . 104 THR HA . 11116 1 1206 . 1 1 104 104 THR HB H 1 4.434 0.030 . 1 . . . . 104 THR HB . 11116 1 1207 . 1 1 104 104 THR HG21 H 1 1.230 0.030 . 1 . . . . 104 THR HG2 . 11116 1 1208 . 1 1 104 104 THR HG22 H 1 1.230 0.030 . 1 . . . . 104 THR HG2 . 11116 1 1209 . 1 1 104 104 THR HG23 H 1 1.230 0.030 . 1 . . . . 104 THR HG2 . 11116 1 1210 . 1 1 104 104 THR C C 13 175.212 0.300 . 1 . . . . 104 THR C . 11116 1 1211 . 1 1 104 104 THR CA C 13 59.841 0.300 . 1 . . . . 104 THR CA . 11116 1 1212 . 1 1 104 104 THR CB C 13 71.959 0.300 . 1 . . . . 104 THR CB . 11116 1 1213 . 1 1 104 104 THR CG2 C 13 21.583 0.300 . 1 . . . . 104 THR CG2 . 11116 1 1214 . 1 1 104 104 THR N N 15 107.300 0.300 . 1 . . . . 104 THR N . 11116 1 1215 . 1 1 105 105 ARG H H 1 9.980 0.030 . 1 . . . . 105 ARG H . 11116 1 1216 . 1 1 105 105 ARG HA H 1 3.919 0.030 . 1 . . . . 105 ARG HA . 11116 1 1217 . 1 1 105 105 ARG HB2 H 1 2.045 0.030 . 2 . . . . 105 ARG HB2 . 11116 1 1218 . 1 1 105 105 ARG HB3 H 1 1.937 0.030 . 2 . . . . 105 ARG HB3 . 11116 1 1219 . 1 1 105 105 ARG HD2 H 1 3.333 0.030 . 2 . . . . 105 ARG HD2 . 11116 1 1220 . 1 1 105 105 ARG HD3 H 1 2.984 0.030 . 2 . . . . 105 ARG HD3 . 11116 1 1221 . 1 1 105 105 ARG HG2 H 1 1.711 0.030 . 2 . . . . 105 ARG HG2 . 11116 1 1222 . 1 1 105 105 ARG HG3 H 1 1.589 0.030 . 2 . . . . 105 ARG HG3 . 11116 1 1223 . 1 1 105 105 ARG C C 13 176.789 0.300 . 1 . . . . 105 ARG C . 11116 1 1224 . 1 1 105 105 ARG CA C 13 60.098 0.300 . 1 . . . . 105 ARG CA . 11116 1 1225 . 1 1 105 105 ARG CB C 13 29.464 0.300 . 1 . . . . 105 ARG CB . 11116 1 1226 . 1 1 105 105 ARG CD C 13 43.350 0.300 . 1 . . . . 105 ARG CD . 11116 1 1227 . 1 1 105 105 ARG CG C 13 24.771 0.300 . 1 . . . . 105 ARG CG . 11116 1 1228 . 1 1 105 105 ARG N N 15 122.554 0.300 . 1 . . . . 105 ARG N . 11116 1 1229 . 1 1 106 106 SER H H 1 8.320 0.030 . 1 . . . . 106 SER H . 11116 1 1230 . 1 1 106 106 SER HA H 1 4.065 0.030 . 1 . . . . 106 SER HA . 11116 1 1231 . 1 1 106 106 SER HB2 H 1 3.822 0.030 . 2 . . . . 106 SER HB2 . 11116 1 1232 . 1 1 106 106 SER C C 13 177.314 0.300 . 1 . . . . 106 SER C . 11116 1 1233 . 1 1 106 106 SER CA C 13 61.757 0.300 . 1 . . . . 106 SER CA . 11116 1 1234 . 1 1 106 106 SER CB C 13 62.440 0.300 . 1 . . . . 106 SER CB . 11116 1 1235 . 1 1 106 106 SER N N 15 112.265 0.300 . 1 . . . . 106 SER N . 11116 1 1236 . 1 1 107 107 ASP H H 1 7.414 0.030 . 1 . . . . 107 ASP H . 11116 1 1237 . 1 1 107 107 ASP HA H 1 4.415 0.030 . 1 . . . . 107 ASP HA . 11116 1 1238 . 1 1 107 107 ASP HB2 H 1 2.806 0.030 . 2 . . . . 107 ASP HB2 . 11116 1 1239 . 1 1 107 107 ASP HB3 H 1 2.749 0.030 . 2 . . . . 107 ASP HB3 . 11116 1 1240 . 1 1 107 107 ASP C C 13 178.224 0.300 . 1 . . . . 107 ASP C . 11116 1 1241 . 1 1 107 107 ASP CA C 13 57.589 0.300 . 1 . . . . 107 ASP CA . 11116 1 1242 . 1 1 107 107 ASP CB C 13 41.612 0.300 . 1 . . . . 107 ASP CB . 11116 1 1243 . 1 1 107 107 ASP N N 15 122.119 0.300 . 1 . . . . 107 ASP N . 11116 1 1244 . 1 1 108 108 ILE H H 1 7.988 0.030 . 1 . . . . 108 ILE H . 11116 1 1245 . 1 1 108 108 ILE HA H 1 3.447 0.030 . 1 . . . . 108 ILE HA . 11116 1 1246 . 1 1 108 108 ILE HB H 1 1.528 0.030 . 1 . . . . 108 ILE HB . 11116 1 1247 . 1 1 108 108 ILE HD11 H 1 0.846 0.030 . 1 . . . . 108 ILE HD1 . 11116 1 1248 . 1 1 108 108 ILE HD12 H 1 0.846 0.030 . 1 . . . . 108 ILE HD1 . 11116 1 1249 . 1 1 108 108 ILE HD13 H 1 0.846 0.030 . 1 . . . . 108 ILE HD1 . 11116 1 1250 . 1 1 108 108 ILE HG12 H 1 2.088 0.030 . 2 . . . . 108 ILE HG12 . 11116 1 1251 . 1 1 108 108 ILE HG13 H 1 0.856 0.030 . 2 . . . . 108 ILE HG13 . 11116 1 1252 . 1 1 108 108 ILE HG21 H 1 0.452 0.030 . 1 . . . . 108 ILE HG2 . 11116 1 1253 . 1 1 108 108 ILE HG22 H 1 0.452 0.030 . 1 . . . . 108 ILE HG2 . 11116 1 1254 . 1 1 108 108 ILE HG23 H 1 0.452 0.030 . 1 . . . . 108 ILE HG2 . 11116 1 1255 . 1 1 108 108 ILE C C 13 177.627 0.300 . 1 . . . . 108 ILE C . 11116 1 1256 . 1 1 108 108 ILE CA C 13 65.368 0.300 . 1 . . . . 108 ILE CA . 11116 1 1257 . 1 1 108 108 ILE CB C 13 38.839 0.300 . 1 . . . . 108 ILE CB . 11116 1 1258 . 1 1 108 108 ILE CD1 C 13 14.251 0.300 . 1 . . . . 108 ILE CD1 . 11116 1 1259 . 1 1 108 108 ILE CG1 C 13 29.249 0.300 . 1 . . . . 108 ILE CG1 . 11116 1 1260 . 1 1 108 108 ILE CG2 C 13 19.041 0.300 . 1 . . . . 108 ILE CG2 . 11116 1 1261 . 1 1 108 108 ILE N N 15 122.046 0.300 . 1 . . . . 108 ILE N . 11116 1 1262 . 1 1 109 109 VAL H H 1 8.425 0.030 . 1 . . . . 109 VAL H . 11116 1 1263 . 1 1 109 109 VAL HA H 1 3.161 0.030 . 1 . . . . 109 VAL HA . 11116 1 1264 . 1 1 109 109 VAL HB H 1 1.976 0.030 . 1 . . . . 109 VAL HB . 11116 1 1265 . 1 1 109 109 VAL HG11 H 1 0.778 0.030 . 1 . . . . 109 VAL HG1 . 11116 1 1266 . 1 1 109 109 VAL HG12 H 1 0.778 0.030 . 1 . . . . 109 VAL HG1 . 11116 1 1267 . 1 1 109 109 VAL HG13 H 1 0.778 0.030 . 1 . . . . 109 VAL HG1 . 11116 1 1268 . 1 1 109 109 VAL HG21 H 1 1.001 0.030 . 1 . . . . 109 VAL HG2 . 11116 1 1269 . 1 1 109 109 VAL HG22 H 1 1.001 0.030 . 1 . . . . 109 VAL HG2 . 11116 1 1270 . 1 1 109 109 VAL HG23 H 1 1.001 0.030 . 1 . . . . 109 VAL HG2 . 11116 1 1271 . 1 1 109 109 VAL C C 13 177.446 0.300 . 1 . . . . 109 VAL C . 11116 1 1272 . 1 1 109 109 VAL CA C 13 66.940 0.300 . 1 . . . . 109 VAL CA . 11116 1 1273 . 1 1 109 109 VAL CB C 13 31.615 0.300 . 1 . . . . 109 VAL CB . 11116 1 1274 . 1 1 109 109 VAL CG1 C 13 21.042 0.300 . 2 . . . . 109 VAL CG1 . 11116 1 1275 . 1 1 109 109 VAL CG2 C 13 23.788 0.300 . 2 . . . . 109 VAL CG2 . 11116 1 1276 . 1 1 109 109 VAL N N 15 118.471 0.300 . 1 . . . . 109 VAL N . 11116 1 1277 . 1 1 110 110 SER H H 1 7.774 0.030 . 1 . . . . 110 SER H . 11116 1 1278 . 1 1 110 110 SER HA H 1 4.074 0.030 . 1 . . . . 110 SER HA . 11116 1 1279 . 1 1 110 110 SER HB2 H 1 4.064 0.030 . 2 . . . . 110 SER HB2 . 11116 1 1280 . 1 1 110 110 SER HB3 H 1 4.030 0.030 . 2 . . . . 110 SER HB3 . 11116 1 1281 . 1 1 110 110 SER C C 13 177.064 0.300 . 1 . . . . 110 SER C . 11116 1 1282 . 1 1 110 110 SER CA C 13 62.319 0.300 . 1 . . . . 110 SER CA . 11116 1 1283 . 1 1 110 110 SER CB C 13 62.729 0.300 . 1 . . . . 110 SER CB . 11116 1 1284 . 1 1 110 110 SER N N 15 112.413 0.300 . 1 . . . . 110 SER N . 11116 1 1285 . 1 1 111 111 ARG H H 1 7.721 0.030 . 1 . . . . 111 ARG H . 11116 1 1286 . 1 1 111 111 ARG HA H 1 4.363 0.030 . 1 . . . . 111 ARG HA . 11116 1 1287 . 1 1 111 111 ARG HB2 H 1 2.176 0.030 . 2 . . . . 111 ARG HB2 . 11116 1 1288 . 1 1 111 111 ARG HB3 H 1 2.038 0.030 . 2 . . . . 111 ARG HB3 . 11116 1 1289 . 1 1 111 111 ARG HD2 H 1 3.651 0.030 . 2 . . . . 111 ARG HD2 . 11116 1 1290 . 1 1 111 111 ARG HD3 H 1 3.423 0.030 . 2 . . . . 111 ARG HD3 . 11116 1 1291 . 1 1 111 111 ARG HG2 H 1 1.812 0.030 . 2 . . . . 111 ARG HG2 . 11116 1 1292 . 1 1 111 111 ARG HG3 H 1 1.575 0.030 . 2 . . . . 111 ARG HG3 . 11116 1 1293 . 1 1 111 111 ARG C C 13 178.133 0.300 . 1 . . . . 111 ARG C . 11116 1 1294 . 1 1 111 111 ARG CA C 13 57.236 0.300 . 1 . . . . 111 ARG CA . 11116 1 1295 . 1 1 111 111 ARG CB C 13 29.170 0.300 . 1 . . . . 111 ARG CB . 11116 1 1296 . 1 1 111 111 ARG CD C 13 41.772 0.300 . 1 . . . . 111 ARG CD . 11116 1 1297 . 1 1 111 111 ARG CG C 13 26.595 0.300 . 1 . . . . 111 ARG CG . 11116 1 1298 . 1 1 111 111 ARG N N 15 120.279 0.300 . 1 . . . . 111 ARG N . 11116 1 1299 . 1 1 112 112 ALA H H 1 8.402 0.030 . 1 . . . . 112 ALA H . 11116 1 1300 . 1 1 112 112 ALA HA H 1 3.976 0.030 . 1 . . . . 112 ALA HA . 11116 1 1301 . 1 1 112 112 ALA HB1 H 1 1.341 0.030 . 1 . . . . 112 ALA HB . 11116 1 1302 . 1 1 112 112 ALA HB2 H 1 1.341 0.030 . 1 . . . . 112 ALA HB . 11116 1 1303 . 1 1 112 112 ALA HB3 H 1 1.341 0.030 . 1 . . . . 112 ALA HB . 11116 1 1304 . 1 1 112 112 ALA C C 13 179.578 0.300 . 1 . . . . 112 ALA C . 11116 1 1305 . 1 1 112 112 ALA CA C 13 55.428 0.300 . 1 . . . . 112 ALA CA . 11116 1 1306 . 1 1 112 112 ALA CB C 13 20.185 0.300 . 1 . . . . 112 ALA CB . 11116 1 1307 . 1 1 112 112 ALA N N 15 121.817 0.300 . 1 . . . . 112 ALA N . 11116 1 1308 . 1 1 113 113 LEU H H 1 8.517 0.030 . 1 . . . . 113 LEU H . 11116 1 1309 . 1 1 113 113 LEU HA H 1 4.100 0.030 . 1 . . . . 113 LEU HA . 11116 1 1310 . 1 1 113 113 LEU HB2 H 1 1.967 0.030 . 2 . . . . 113 LEU HB2 . 11116 1 1311 . 1 1 113 113 LEU HB3 H 1 1.600 0.030 . 2 . . . . 113 LEU HB3 . 11116 1 1312 . 1 1 113 113 LEU HD11 H 1 0.826 0.030 . 1 . . . . 113 LEU HD1 . 11116 1 1313 . 1 1 113 113 LEU HD12 H 1 0.826 0.030 . 1 . . . . 113 LEU HD1 . 11116 1 1314 . 1 1 113 113 LEU HD13 H 1 0.826 0.030 . 1 . . . . 113 LEU HD1 . 11116 1 1315 . 1 1 113 113 LEU HD21 H 1 0.653 0.030 . 1 . . . . 113 LEU HD2 . 11116 1 1316 . 1 1 113 113 LEU HD22 H 1 0.653 0.030 . 1 . . . . 113 LEU HD2 . 11116 1 1317 . 1 1 113 113 LEU HD23 H 1 0.653 0.030 . 1 . . . . 113 LEU HD2 . 11116 1 1318 . 1 1 113 113 LEU HG H 1 1.881 0.030 . 1 . . . . 113 LEU HG . 11116 1 1319 . 1 1 113 113 LEU C C 13 180.377 0.300 . 1 . . . . 113 LEU C . 11116 1 1320 . 1 1 113 113 LEU CA C 13 57.364 0.300 . 1 . . . . 113 LEU CA . 11116 1 1321 . 1 1 113 113 LEU CB C 13 40.105 0.300 . 1 . . . . 113 LEU CB . 11116 1 1322 . 1 1 113 113 LEU CD1 C 13 25.160 0.300 . 2 . . . . 113 LEU CD1 . 11116 1 1323 . 1 1 113 113 LEU CD2 C 13 21.970 0.300 . 2 . . . . 113 LEU CD2 . 11116 1 1324 . 1 1 113 113 LEU CG C 13 26.999 0.300 . 1 . . . . 113 LEU CG . 11116 1 1325 . 1 1 113 113 LEU N N 15 116.655 0.300 . 1 . . . . 113 LEU N . 11116 1 1326 . 1 1 114 114 ASP H H 1 7.823 0.030 . 1 . . . . 114 ASP H . 11116 1 1327 . 1 1 114 114 ASP HA H 1 4.555 0.030 . 1 . . . . 114 ASP HA . 11116 1 1328 . 1 1 114 114 ASP HB2 H 1 2.977 0.030 . 2 . . . . 114 ASP HB2 . 11116 1 1329 . 1 1 114 114 ASP HB3 H 1 2.807 0.030 . 2 . . . . 114 ASP HB3 . 11116 1 1330 . 1 1 114 114 ASP C C 13 178.658 0.300 . 1 . . . . 114 ASP C . 11116 1 1331 . 1 1 114 114 ASP CA C 13 57.233 0.300 . 1 . . . . 114 ASP CA . 11116 1 1332 . 1 1 114 114 ASP CB C 13 40.594 0.300 . 1 . . . . 114 ASP CB . 11116 1 1333 . 1 1 114 114 ASP N N 15 122.602 0.300 . 1 . . . . 114 ASP N . 11116 1 1334 . 1 1 115 115 LEU H H 1 7.975 0.030 . 1 . . . . 115 LEU H . 11116 1 1335 . 1 1 115 115 LEU HA H 1 4.159 0.030 . 1 . . . . 115 LEU HA . 11116 1 1336 . 1 1 115 115 LEU HB2 H 1 2.148 0.030 . 2 . . . . 115 LEU HB2 . 11116 1 1337 . 1 1 115 115 LEU HB3 H 1 1.390 0.030 . 2 . . . . 115 LEU HB3 . 11116 1 1338 . 1 1 115 115 LEU HD11 H 1 0.888 0.030 . 1 . . . . 115 LEU HD1 . 11116 1 1339 . 1 1 115 115 LEU HD12 H 1 0.888 0.030 . 1 . . . . 115 LEU HD1 . 11116 1 1340 . 1 1 115 115 LEU HD13 H 1 0.888 0.030 . 1 . . . . 115 LEU HD1 . 11116 1 1341 . 1 1 115 115 LEU HD21 H 1 0.927 0.030 . 1 . . . . 115 LEU HD2 . 11116 1 1342 . 1 1 115 115 LEU HD22 H 1 0.927 0.030 . 1 . . . . 115 LEU HD2 . 11116 1 1343 . 1 1 115 115 LEU HD23 H 1 0.927 0.030 . 1 . . . . 115 LEU HD2 . 11116 1 1344 . 1 1 115 115 LEU HG H 1 1.902 0.030 . 1 . . . . 115 LEU HG . 11116 1 1345 . 1 1 115 115 LEU C C 13 178.669 0.300 . 1 . . . . 115 LEU C . 11116 1 1346 . 1 1 115 115 LEU CA C 13 57.053 0.300 . 1 . . . . 115 LEU CA . 11116 1 1347 . 1 1 115 115 LEU CB C 13 42.194 0.300 . 1 . . . . 115 LEU CB . 11116 1 1348 . 1 1 115 115 LEU CD1 C 13 26.558 0.300 . 2 . . . . 115 LEU CD1 . 11116 1 1349 . 1 1 115 115 LEU CD2 C 13 23.143 0.300 . 2 . . . . 115 LEU CD2 . 11116 1 1350 . 1 1 115 115 LEU CG C 13 26.928 0.300 . 1 . . . . 115 LEU CG . 11116 1 1351 . 1 1 115 115 LEU N N 15 120.091 0.300 . 1 . . . . 115 LEU N . 11116 1 1352 . 1 1 116 116 PHE H H 1 8.160 0.030 . 1 . . . . 116 PHE H . 11116 1 1353 . 1 1 116 116 PHE HA H 1 4.385 0.030 . 1 . . . . 116 PHE HA . 11116 1 1354 . 1 1 116 116 PHE HB2 H 1 3.302 0.030 . 2 . . . . 116 PHE HB2 . 11116 1 1355 . 1 1 116 116 PHE HB3 H 1 3.147 0.030 . 2 . . . . 116 PHE HB3 . 11116 1 1356 . 1 1 116 116 PHE HD1 H 1 7.193 0.030 . 1 . . . . 116 PHE HD1 . 11116 1 1357 . 1 1 116 116 PHE HD2 H 1 7.193 0.030 . 1 . . . . 116 PHE HD2 . 11116 1 1358 . 1 1 116 116 PHE HE1 H 1 7.369 0.030 . 1 . . . . 116 PHE HE1 . 11116 1 1359 . 1 1 116 116 PHE HE2 H 1 7.369 0.030 . 1 . . . . 116 PHE HE2 . 11116 1 1360 . 1 1 116 116 PHE HZ H 1 7.308 0.030 . 1 . . . . 116 PHE HZ . 11116 1 1361 . 1 1 116 116 PHE C C 13 176.071 0.300 . 1 . . . . 116 PHE C . 11116 1 1362 . 1 1 116 116 PHE CA C 13 58.152 0.300 . 1 . . . . 116 PHE CA . 11116 1 1363 . 1 1 116 116 PHE CB C 13 40.105 0.300 . 1 . . . . 116 PHE CB . 11116 1 1364 . 1 1 116 116 PHE CD1 C 13 131.249 0.300 . 1 . . . . 116 PHE CD1 . 11116 1 1365 . 1 1 116 116 PHE CD2 C 13 131.249 0.300 . 1 . . . . 116 PHE CD2 . 11116 1 1366 . 1 1 116 116 PHE CE1 C 13 131.846 0.300 . 1 . . . . 116 PHE CE1 . 11116 1 1367 . 1 1 116 116 PHE CE2 C 13 131.846 0.300 . 1 . . . . 116 PHE CE2 . 11116 1 1368 . 1 1 116 116 PHE CZ C 13 130.068 0.300 . 1 . . . . 116 PHE CZ . 11116 1 1369 . 1 1 116 116 PHE N N 15 119.749 0.300 . 1 . . . . 116 PHE N . 11116 1 1370 . 1 1 117 117 SER H H 1 8.019 0.030 . 1 . . . . 117 SER H . 11116 1 1371 . 1 1 117 117 SER HB2 H 1 3.915 0.030 . 1 . . . . 117 SER HB2 . 11116 1 1372 . 1 1 117 117 SER HB3 H 1 3.915 0.030 . 1 . . . . 117 SER HB3 . 11116 1 1373 . 1 1 117 117 SER C C 13 175.090 0.300 . 1 . . . . 117 SER C . 11116 1 1374 . 1 1 117 117 SER CA C 13 59.717 0.300 . 1 . . . . 117 SER CA . 11116 1 1375 . 1 1 117 117 SER CB C 13 63.516 0.300 . 1 . . . . 117 SER CB . 11116 1 1376 . 1 1 117 117 SER N N 15 115.805 0.300 . 1 . . . . 117 SER N . 11116 1 1377 . 1 1 118 118 ASP H H 1 7.922 0.030 . 1 . . . . 118 ASP H . 11116 1 1378 . 1 1 118 118 ASP HA H 1 4.491 0.030 . 1 . . . . 118 ASP HA . 11116 1 1379 . 1 1 118 118 ASP HB2 H 1 2.672 0.030 . 2 . . . . 118 ASP HB2 . 11116 1 1380 . 1 1 118 118 ASP HB3 H 1 2.562 0.030 . 2 . . . . 118 ASP HB3 . 11116 1 1381 . 1 1 118 118 ASP C C 13 176.202 0.300 . 1 . . . . 118 ASP C . 11116 1 1382 . 1 1 118 118 ASP CA C 13 55.072 0.300 . 1 . . . . 118 ASP CA . 11116 1 1383 . 1 1 118 118 ASP CB C 13 41.036 0.300 . 1 . . . . 118 ASP CB . 11116 1 1384 . 1 1 118 118 ASP N N 15 121.183 0.300 . 1 . . . . 118 ASP N . 11116 1 1385 . 1 1 119 119 ASN H H 1 7.857 0.030 . 1 . . . . 119 ASN H . 11116 1 1386 . 1 1 119 119 ASN HA H 1 4.686 0.030 . 1 . . . . 119 ASN HA . 11116 1 1387 . 1 1 119 119 ASN HB2 H 1 2.765 0.030 . 2 . . . . 119 ASN HB2 . 11116 1 1388 . 1 1 119 119 ASN HB3 H 1 2.606 0.030 . 2 . . . . 119 ASN HB3 . 11116 1 1389 . 1 1 119 119 ASN HD21 H 1 7.691 0.030 . 2 . . . . 119 ASN HD21 . 11116 1 1390 . 1 1 119 119 ASN HD22 H 1 7.166 0.030 . 2 . . . . 119 ASN HD22 . 11116 1 1391 . 1 1 119 119 ASN C C 13 174.151 0.300 . 1 . . . . 119 ASN C . 11116 1 1392 . 1 1 119 119 ASN CA C 13 53.333 0.300 . 1 . . . . 119 ASN CA . 11116 1 1393 . 1 1 119 119 ASN CB C 13 39.762 0.300 . 1 . . . . 119 ASN CB . 11116 1 1394 . 1 1 119 119 ASN N N 15 117.894 0.300 . 1 . . . . 119 ASN N . 11116 1 1395 . 1 1 119 119 ASN ND2 N 15 113.784 0.300 . 1 . . . . 119 ASN ND2 . 11116 1 1396 . 1 1 120 120 ALA H H 1 7.790 0.030 . 1 . . . . 120 ALA H . 11116 1 1397 . 1 1 120 120 ALA HA H 1 4.478 0.030 . 1 . . . . 120 ALA HA . 11116 1 1398 . 1 1 120 120 ALA HB1 H 1 1.223 0.030 . 1 . . . . 120 ALA HB . 11116 1 1399 . 1 1 120 120 ALA HB2 H 1 1.223 0.030 . 1 . . . . 120 ALA HB . 11116 1 1400 . 1 1 120 120 ALA HB3 H 1 1.223 0.030 . 1 . . . . 120 ALA HB . 11116 1 1401 . 1 1 120 120 ALA C C 13 174.833 0.300 . 1 . . . . 120 ALA C . 11116 1 1402 . 1 1 120 120 ALA CA C 13 50.718 0.300 . 1 . . . . 120 ALA CA . 11116 1 1403 . 1 1 120 120 ALA CB C 13 18.016 0.300 . 1 . . . . 120 ALA CB . 11116 1 1404 . 1 1 120 120 ALA N N 15 125.156 0.300 . 1 . . . . 120 ALA N . 11116 1 1405 . 1 1 121 121 PRO HA H 1 4.696 0.030 . 1 . . . . 121 PRO HA . 11116 1 1406 . 1 1 121 121 PRO HB2 H 1 2.315 0.030 . 2 . . . . 121 PRO HB2 . 11116 1 1407 . 1 1 121 121 PRO HB3 H 1 1.874 0.030 . 2 . . . . 121 PRO HB3 . 11116 1 1408 . 1 1 121 121 PRO HD2 H 1 3.764 0.030 . 2 . . . . 121 PRO HD2 . 11116 1 1409 . 1 1 121 121 PRO HD3 H 1 3.579 0.030 . 2 . . . . 121 PRO HD3 . 11116 1 1410 . 1 1 121 121 PRO HG2 H 1 2.034 0.030 . 1 . . . . 121 PRO HG2 . 11116 1 1411 . 1 1 121 121 PRO HG3 H 1 2.034 0.030 . 1 . . . . 121 PRO HG3 . 11116 1 1412 . 1 1 121 121 PRO CA C 13 61.216 0.300 . 1 . . . . 121 PRO CA . 11116 1 1413 . 1 1 121 121 PRO CB C 13 30.664 0.300 . 1 . . . . 121 PRO CB . 11116 1 1414 . 1 1 121 121 PRO CD C 13 50.340 0.300 . 1 . . . . 121 PRO CD . 11116 1 1415 . 1 1 121 121 PRO CG C 13 27.396 0.300 . 1 . . . . 121 PRO CG . 11116 1 1416 . 1 1 122 122 PRO HA H 1 4.696 0.030 . 1 . . . . 122 PRO HA . 11116 1 1417 . 1 1 122 122 PRO HB2 H 1 2.350 0.030 . 2 . . . . 122 PRO HB2 . 11116 1 1418 . 1 1 122 122 PRO HB3 H 1 1.933 0.030 . 2 . . . . 122 PRO HB3 . 11116 1 1419 . 1 1 122 122 PRO HD2 H 1 3.825 0.030 . 2 . . . . 122 PRO HD2 . 11116 1 1420 . 1 1 122 122 PRO HD3 H 1 3.606 0.030 . 2 . . . . 122 PRO HD3 . 11116 1 1421 . 1 1 122 122 PRO CA C 13 61.216 0.300 . 1 . . . . 122 PRO CA . 11116 1 1422 . 1 1 122 122 PRO CB C 13 30.826 0.300 . 1 . . . . 122 PRO CB . 11116 1 1423 . 1 1 122 122 PRO CD C 13 50.342 0.300 . 1 . . . . 122 PRO CD . 11116 1 1424 . 1 1 122 122 PRO CG C 13 27.551 0.300 . 1 . . . . 122 PRO CG . 11116 1 1425 . 1 1 123 123 PRO HA H 1 4.360 0.030 . 1 . . . . 123 PRO HA . 11116 1 1426 . 1 1 123 123 PRO HB2 H 1 2.287 0.030 . 2 . . . . 123 PRO HB2 . 11116 1 1427 . 1 1 123 123 PRO HB3 H 1 1.880 0.030 . 2 . . . . 123 PRO HB3 . 11116 1 1428 . 1 1 123 123 PRO HD2 H 1 3.819 0.030 . 2 . . . . 123 PRO HD2 . 11116 1 1429 . 1 1 123 123 PRO HD3 H 1 3.666 0.030 . 2 . . . . 123 PRO HD3 . 11116 1 1430 . 1 1 123 123 PRO HG2 H 1 2.025 0.030 . 1 . . . . 123 PRO HG2 . 11116 1 1431 . 1 1 123 123 PRO HG3 H 1 2.025 0.030 . 1 . . . . 123 PRO HG3 . 11116 1 1432 . 1 1 123 123 PRO C C 13 177.087 0.300 . 1 . . . . 123 PRO C . 11116 1 1433 . 1 1 123 123 PRO CA C 13 63.181 0.300 . 1 . . . . 123 PRO CA . 11116 1 1434 . 1 1 123 123 PRO CB C 13 32.032 0.300 . 1 . . . . 123 PRO CB . 11116 1 1435 . 1 1 123 123 PRO CD C 13 50.370 0.300 . 1 . . . . 123 PRO CD . 11116 1 1436 . 1 1 123 123 PRO CG C 13 27.425 0.300 . 1 . . . . 123 PRO CG . 11116 1 1437 . 1 1 124 124 GLU H H 1 8.554 0.030 . 1 . . . . 124 GLU H . 11116 1 1438 . 1 1 124 124 GLU HA H 1 4.214 0.030 . 1 . . . . 124 GLU HA . 11116 1 1439 . 1 1 124 124 GLU HB2 H 1 1.994 0.030 . 2 . . . . 124 GLU HB2 . 11116 1 1440 . 1 1 124 124 GLU HB3 H 1 1.911 0.030 . 2 . . . . 124 GLU HB3 . 11116 1 1441 . 1 1 124 124 GLU HG2 H 1 2.232 0.030 . 2 . . . . 124 GLU HG2 . 11116 1 1442 . 1 1 124 124 GLU C C 13 176.384 0.300 . 1 . . . . 124 GLU C . 11116 1 1443 . 1 1 124 124 GLU CA C 13 56.717 0.300 . 1 . . . . 124 GLU CA . 11116 1 1444 . 1 1 124 124 GLU CB C 13 30.105 0.300 . 1 . . . . 124 GLU CB . 11116 1 1445 . 1 1 124 124 GLU CG C 13 36.347 0.300 . 1 . . . . 124 GLU CG . 11116 1 1446 . 1 1 124 124 GLU N N 15 120.553 0.300 . 1 . . . . 124 GLU N . 11116 1 1447 . 1 1 125 125 LEU H H 1 8.233 0.030 . 1 . . . . 125 LEU H . 11116 1 1448 . 1 1 125 125 LEU HA H 1 4.359 0.030 . 1 . . . . 125 LEU HA . 11116 1 1449 . 1 1 125 125 LEU HB2 H 1 1.600 0.030 . 1 . . . . 125 LEU HB2 . 11116 1 1450 . 1 1 125 125 LEU HB3 H 1 1.600 0.030 . 1 . . . . 125 LEU HB3 . 11116 1 1451 . 1 1 125 125 LEU HD11 H 1 0.911 0.030 . 1 . . . . 125 LEU HD1 . 11116 1 1452 . 1 1 125 125 LEU HD12 H 1 0.911 0.030 . 1 . . . . 125 LEU HD1 . 11116 1 1453 . 1 1 125 125 LEU HD13 H 1 0.911 0.030 . 1 . . . . 125 LEU HD1 . 11116 1 1454 . 1 1 125 125 LEU HD21 H 1 0.852 0.030 . 1 . . . . 125 LEU HD2 . 11116 1 1455 . 1 1 125 125 LEU HD22 H 1 0.852 0.030 . 1 . . . . 125 LEU HD2 . 11116 1 1456 . 1 1 125 125 LEU HD23 H 1 0.852 0.030 . 1 . . . . 125 LEU HD2 . 11116 1 1457 . 1 1 125 125 LEU HG H 1 1.581 0.030 . 1 . . . . 125 LEU HG . 11116 1 1458 . 1 1 125 125 LEU C C 13 177.031 0.300 . 1 . . . . 125 LEU C . 11116 1 1459 . 1 1 125 125 LEU CA C 13 54.979 0.300 . 1 . . . . 125 LEU CA . 11116 1 1460 . 1 1 125 125 LEU CB C 13 42.255 0.300 . 1 . . . . 125 LEU CB . 11116 1 1461 . 1 1 125 125 LEU CD1 C 13 24.844 0.300 . 2 . . . . 125 LEU CD1 . 11116 1 1462 . 1 1 125 125 LEU CD2 C 13 23.613 0.300 . 2 . . . . 125 LEU CD2 . 11116 1 1463 . 1 1 125 125 LEU CG C 13 26.912 0.300 . 1 . . . . 125 LEU CG . 11116 1 1464 . 1 1 125 125 LEU N N 15 123.480 0.300 . 1 . . . . 125 LEU N . 11116 1 1465 . 1 1 126 126 LEU H H 1 8.187 0.030 . 1 . . . . 126 LEU H . 11116 1 1466 . 1 1 126 126 LEU HA H 1 4.360 0.030 . 1 . . . . 126 LEU HA . 11116 1 1467 . 1 1 126 126 LEU HB2 H 1 1.600 0.030 . 1 . . . . 126 LEU HB2 . 11116 1 1468 . 1 1 126 126 LEU HB3 H 1 1.600 0.030 . 1 . . . . 126 LEU HB3 . 11116 1 1469 . 1 1 126 126 LEU HD11 H 1 0.909 0.030 . 1 . . . . 126 LEU HD1 . 11116 1 1470 . 1 1 126 126 LEU HD12 H 1 0.909 0.030 . 1 . . . . 126 LEU HD1 . 11116 1 1471 . 1 1 126 126 LEU HD13 H 1 0.909 0.030 . 1 . . . . 126 LEU HD1 . 11116 1 1472 . 1 1 126 126 LEU HD21 H 1 0.850 0.030 . 1 . . . . 126 LEU HD2 . 11116 1 1473 . 1 1 126 126 LEU HD22 H 1 0.850 0.030 . 1 . . . . 126 LEU HD2 . 11116 1 1474 . 1 1 126 126 LEU HD23 H 1 0.850 0.030 . 1 . . . . 126 LEU HD2 . 11116 1 1475 . 1 1 126 126 LEU HG H 1 1.583 0.030 . 1 . . . . 126 LEU HG . 11116 1 1476 . 1 1 126 126 LEU C C 13 177.334 0.300 . 1 . . . . 126 LEU C . 11116 1 1477 . 1 1 126 126 LEU CA C 13 55.101 0.300 . 1 . . . . 126 LEU CA . 11116 1 1478 . 1 1 126 126 LEU CB C 13 42.315 0.300 . 1 . . . . 126 LEU CB . 11116 1 1479 . 1 1 126 126 LEU CD1 C 13 24.817 0.300 . 2 . . . . 126 LEU CD1 . 11116 1 1480 . 1 1 126 126 LEU CD2 C 13 23.556 0.300 . 2 . . . . 126 LEU CD2 . 11116 1 1481 . 1 1 126 126 LEU CG C 13 27.082 0.300 . 1 . . . . 126 LEU CG . 11116 1 1482 . 1 1 126 126 LEU N N 15 123.597 0.300 . 1 . . . . 126 LEU N . 11116 1 1483 . 1 1 127 127 GLU H H 1 8.385 0.030 . 1 . . . . 127 GLU H . 11116 1 1484 . 1 1 127 127 GLU HA H 1 4.306 0.030 . 1 . . . . 127 GLU HA . 11116 1 1485 . 1 1 127 127 GLU HB2 H 1 2.059 0.030 . 2 . . . . 127 GLU HB2 . 11116 1 1486 . 1 1 127 127 GLU HB3 H 1 1.936 0.030 . 2 . . . . 127 GLU HB3 . 11116 1 1487 . 1 1 127 127 GLU HG2 H 1 2.240 0.030 . 2 . . . . 127 GLU HG2 . 11116 1 1488 . 1 1 127 127 GLU C C 13 176.415 0.300 . 1 . . . . 127 GLU C . 11116 1 1489 . 1 1 127 127 GLU CA C 13 56.553 0.300 . 1 . . . . 127 GLU CA . 11116 1 1490 . 1 1 127 127 GLU CB C 13 30.348 0.300 . 1 . . . . 127 GLU CB . 11116 1 1491 . 1 1 127 127 GLU CG C 13 36.210 0.300 . 1 . . . . 127 GLU CG . 11116 1 1492 . 1 1 127 127 GLU N N 15 121.968 0.300 . 1 . . . . 127 GLU N . 11116 1 1493 . 1 1 128 128 SER H H 1 8.337 0.030 . 1 . . . . 128 SER H . 11116 1 1494 . 1 1 128 128 SER HA H 1 4.475 0.030 . 1 . . . . 128 SER HA . 11116 1 1495 . 1 1 128 128 SER HB2 H 1 3.841 0.030 . 2 . . . . 128 SER HB2 . 11116 1 1496 . 1 1 128 128 SER C C 13 174.616 0.300 . 1 . . . . 128 SER C . 11116 1 1497 . 1 1 128 128 SER CA C 13 58.333 0.300 . 1 . . . . 128 SER CA . 11116 1 1498 . 1 1 128 128 SER CB C 13 63.866 0.300 . 1 . . . . 128 SER CB . 11116 1 1499 . 1 1 128 128 SER N N 15 116.947 0.300 . 1 . . . . 128 SER N . 11116 1 1500 . 1 1 129 129 GLY H H 1 8.255 0.030 . 1 . . . . 129 GLY H . 11116 1 1501 . 1 1 129 129 GLY HA2 H 1 4.176 0.030 . 2 . . . . 129 GLY HA2 . 11116 1 1502 . 1 1 129 129 GLY HA3 H 1 4.071 0.030 . 2 . . . . 129 GLY HA3 . 11116 1 1503 . 1 1 129 129 GLY C C 13 171.803 0.300 . 1 . . . . 129 GLY C . 11116 1 1504 . 1 1 129 129 GLY CA C 13 44.608 0.300 . 1 . . . . 129 GLY CA . 11116 1 1505 . 1 1 129 129 GLY N N 15 110.753 0.300 . 1 . . . . 129 GLY N . 11116 1 1506 . 1 1 130 130 PRO HD2 H 1 3.625 0.030 . 2 . . . . 130 PRO HD2 . 11116 1 1507 . 1 1 130 130 PRO CA C 13 63.223 0.300 . 1 . . . . 130 PRO CA . 11116 1 1508 . 1 1 130 130 PRO CB C 13 32.106 0.300 . 1 . . . . 130 PRO CB . 11116 1 1509 . 1 1 130 130 PRO CD C 13 49.765 0.300 . 1 . . . . 130 PRO CD . 11116 1 1510 . 1 1 130 130 PRO CG C 13 27.087 0.300 . 1 . . . . 130 PRO CG . 11116 1 stop_ save_