data_10031 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10031 _Entry.Title ; Solution structure of the 2nd mbt domain from human KIAA1617 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-01 _Entry.Accession_date 2006-11-01 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 T. Tomizawa . . . 10031 2 T. Kigawa . . . 10031 3 S. Koshiba . . . 10031 4 M. Inoue . . . 10031 5 S. Yokoyama . . . 10031 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10031 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10031 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 558 10031 '15N chemical shifts' 125 10031 '1H chemical shifts' 878 10031 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 . . 2008-08-13 2006-11-01 original author . 10031 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WJR 'BMRB Entry Tracking System' 10031 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10031 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the 2nd mbt domain from human KIAA1617 protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 10031 1 2 T. Kigawa . . . 10031 1 3 S. Koshiba . . . 10031 1 4 M. Inoue . . . 10031 1 5 S. Yokoyama . . . 10031 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10031 _Assembly.ID 1 _Assembly.Name 'KIAA1617 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10031 1 stop_ 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 'KIAA1617 protein' 1 $entity_1 . . yes native no no . . . 10031 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 1WJR . . . . . . 10031 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10031 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'mbt domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPIDLITVGSLIEL QDSQNPFQYWIVSVIENVGG RLRLRYVGLEDTESYDQWLF YLDYRLRPVGWCQENKYRMD PPSEIYPLKMASEWKCTLEK SLIDAAKFPLPMEVFKDHAD LSGPSSG ; _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1WJR . "Solution Structure Of The 2nd Mbt Domain From Human Kiaa1617 Protein" . . . . . 100.00 127 100.00 100.00 5.49e-87 . . . . 10031 1 2 no REF XP_006717553 . "PREDICTED: scm-like with four MBT domains protein 2 isoform X2 [Homo sapiens]" . . . . . 80.31 725 99.02 99.02 3.62e-64 . . . . 10031 1 3 no REF XP_008573689 . "PREDICTED: scm-like with four MBT domains protein 2, partial [Galeopterus variegatus]" . . . . . 90.55 833 98.26 98.26 1.34e-71 . . . . 10031 1 4 no REF XP_011760994 . "PREDICTED: scm-like with four MBT domains protein 2 isoform X4 [Macaca nemestrina]" . . . . . 80.31 725 98.04 99.02 1.88e-63 . . . . 10031 1 5 no REF XP_011760995 . "PREDICTED: scm-like with four MBT domains protein 2 isoform X4 [Macaca nemestrina]" . . . . . 80.31 725 98.04 99.02 1.88e-63 . . . . 10031 1 6 no REF XP_011760996 . "PREDICTED: scm-like with four MBT domains protein 2 isoform X4 [Macaca nemestrina]" . . . . . 80.31 725 98.04 99.02 1.88e-63 . . . . 10031 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'mbt domain' . 10031 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 . 10031 1 2 . SER . 10031 1 3 . SER . 10031 1 4 . GLY . 10031 1 5 . SER . 10031 1 6 . SER . 10031 1 7 . GLY . 10031 1 8 . PRO . 10031 1 9 . ILE . 10031 1 10 . ASP . 10031 1 11 . LEU . 10031 1 12 . ILE . 10031 1 13 . THR . 10031 1 14 . VAL . 10031 1 15 . GLY . 10031 1 16 . SER . 10031 1 17 . LEU . 10031 1 18 . ILE . 10031 1 19 . GLU . 10031 1 20 . LEU . 10031 1 21 . GLN . 10031 1 22 . ASP . 10031 1 23 . SER . 10031 1 24 . GLN . 10031 1 25 . ASN . 10031 1 26 . PRO . 10031 1 27 . PHE . 10031 1 28 . GLN . 10031 1 29 . TYR . 10031 1 30 . TRP . 10031 1 31 . ILE . 10031 1 32 . VAL . 10031 1 33 . SER . 10031 1 34 . VAL . 10031 1 35 . ILE . 10031 1 36 . GLU . 10031 1 37 . ASN . 10031 1 38 . VAL . 10031 1 39 . GLY . 10031 1 40 . GLY . 10031 1 41 . ARG . 10031 1 42 . LEU . 10031 1 43 . ARG . 10031 1 44 . LEU . 10031 1 45 . ARG . 10031 1 46 . TYR . 10031 1 47 . VAL . 10031 1 48 . GLY . 10031 1 49 . LEU . 10031 1 50 . GLU . 10031 1 51 . ASP . 10031 1 52 . THR . 10031 1 53 . GLU . 10031 1 54 . SER . 10031 1 55 . TYR . 10031 1 56 . ASP . 10031 1 57 . GLN . 10031 1 58 . TRP . 10031 1 59 . LEU . 10031 1 60 . PHE . 10031 1 61 . TYR . 10031 1 62 . LEU . 10031 1 63 . ASP . 10031 1 64 . TYR . 10031 1 65 . ARG . 10031 1 66 . LEU . 10031 1 67 . ARG . 10031 1 68 . PRO . 10031 1 69 . VAL . 10031 1 70 . GLY . 10031 1 71 . TRP . 10031 1 72 . CYS . 10031 1 73 . GLN . 10031 1 74 . GLU . 10031 1 75 . ASN . 10031 1 76 . LYS . 10031 1 77 . TYR . 10031 1 78 . ARG . 10031 1 79 . MET . 10031 1 80 . ASP . 10031 1 81 . PRO . 10031 1 82 . PRO . 10031 1 83 . SER . 10031 1 84 . GLU . 10031 1 85 . ILE . 10031 1 86 . TYR . 10031 1 87 . PRO . 10031 1 88 . LEU . 10031 1 89 . LYS . 10031 1 90 . MET . 10031 1 91 . ALA . 10031 1 92 . SER . 10031 1 93 . GLU . 10031 1 94 . TRP . 10031 1 95 . LYS . 10031 1 96 . CYS . 10031 1 97 . THR . 10031 1 98 . LEU . 10031 1 99 . GLU . 10031 1 100 . LYS . 10031 1 101 . SER . 10031 1 102 . LEU . 10031 1 103 . ILE . 10031 1 104 . ASP . 10031 1 105 . ALA . 10031 1 106 . ALA . 10031 1 107 . LYS . 10031 1 108 . PHE . 10031 1 109 . PRO . 10031 1 110 . LEU . 10031 1 111 . PRO . 10031 1 112 . MET . 10031 1 113 . GLU . 10031 1 114 . VAL . 10031 1 115 . PHE . 10031 1 116 . LYS . 10031 1 117 . ASP . 10031 1 118 . HIS . 10031 1 119 . ALA . 10031 1 120 . ASP . 10031 1 121 . LEU . 10031 1 122 . SER . 10031 1 123 . GLY . 10031 1 124 . PRO . 10031 1 125 . SER . 10031 1 126 . SER . 10031 1 127 . GLY . 10031 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 10031 1 . SER 2 2 10031 1 . SER 3 3 10031 1 . GLY 4 4 10031 1 . SER 5 5 10031 1 . SER 6 6 10031 1 . GLY 7 7 10031 1 . PRO 8 8 10031 1 . ILE 9 9 10031 1 . ASP 10 10 10031 1 . LEU 11 11 10031 1 . ILE 12 12 10031 1 . THR 13 13 10031 1 . VAL 14 14 10031 1 . GLY 15 15 10031 1 . SER 16 16 10031 1 . LEU 17 17 10031 1 . ILE 18 18 10031 1 . GLU 19 19 10031 1 . LEU 20 20 10031 1 . GLN 21 21 10031 1 . ASP 22 22 10031 1 . SER 23 23 10031 1 . GLN 24 24 10031 1 . ASN 25 25 10031 1 . PRO 26 26 10031 1 . PHE 27 27 10031 1 . GLN 28 28 10031 1 . TYR 29 29 10031 1 . TRP 30 30 10031 1 . ILE 31 31 10031 1 . VAL 32 32 10031 1 . SER 33 33 10031 1 . VAL 34 34 10031 1 . ILE 35 35 10031 1 . GLU 36 36 10031 1 . ASN 37 37 10031 1 . VAL 38 38 10031 1 . GLY 39 39 10031 1 . GLY 40 40 10031 1 . ARG 41 41 10031 1 . LEU 42 42 10031 1 . ARG 43 43 10031 1 . LEU 44 44 10031 1 . ARG 45 45 10031 1 . TYR 46 46 10031 1 . VAL 47 47 10031 1 . GLY 48 48 10031 1 . LEU 49 49 10031 1 . GLU 50 50 10031 1 . ASP 51 51 10031 1 . THR 52 52 10031 1 . GLU 53 53 10031 1 . SER 54 54 10031 1 . TYR 55 55 10031 1 . ASP 56 56 10031 1 . GLN 57 57 10031 1 . TRP 58 58 10031 1 . LEU 59 59 10031 1 . PHE 60 60 10031 1 . TYR 61 61 10031 1 . LEU 62 62 10031 1 . ASP 63 63 10031 1 . TYR 64 64 10031 1 . ARG 65 65 10031 1 . LEU 66 66 10031 1 . ARG 67 67 10031 1 . PRO 68 68 10031 1 . VAL 69 69 10031 1 . GLY 70 70 10031 1 . TRP 71 71 10031 1 . CYS 72 72 10031 1 . GLN 73 73 10031 1 . GLU 74 74 10031 1 . ASN 75 75 10031 1 . LYS 76 76 10031 1 . TYR 77 77 10031 1 . ARG 78 78 10031 1 . MET 79 79 10031 1 . ASP 80 80 10031 1 . PRO 81 81 10031 1 . PRO 82 82 10031 1 . SER 83 83 10031 1 . GLU 84 84 10031 1 . ILE 85 85 10031 1 . TYR 86 86 10031 1 . PRO 87 87 10031 1 . LEU 88 88 10031 1 . LYS 89 89 10031 1 . MET 90 90 10031 1 . ALA 91 91 10031 1 . SER 92 92 10031 1 . GLU 93 93 10031 1 . TRP 94 94 10031 1 . LYS 95 95 10031 1 . CYS 96 96 10031 1 . THR 97 97 10031 1 . LEU 98 98 10031 1 . GLU 99 99 10031 1 . LYS 100 100 10031 1 . SER 101 101 10031 1 . LEU 102 102 10031 1 . ILE 103 103 10031 1 . ASP 104 104 10031 1 . ALA 105 105 10031 1 . ALA 106 106 10031 1 . LYS 107 107 10031 1 . PHE 108 108 10031 1 . PRO 109 109 10031 1 . LEU 110 110 10031 1 . PRO 111 111 10031 1 . MET 112 112 10031 1 . GLU 113 113 10031 1 . VAL 114 114 10031 1 . PHE 115 115 10031 1 . LYS 116 116 10031 1 . ASP 117 117 10031 1 . HIS 118 118 10031 1 . ALA 119 119 10031 1 . ASP 120 120 10031 1 . LEU 121 121 10031 1 . SER 122 122 10031 1 . GLY 123 123 10031 1 . PRO 124 124 10031 1 . SER 125 125 10031 1 . SER 126 126 10031 1 . GLY 127 127 10031 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 10031 _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 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10031 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 10031 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P040119-21 . . . . . . 10031 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10031 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'mbt domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.14 . . mM . . . . 10031 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10031 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10031 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10031 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10031 1 6 H2O . . . . . . solvent 90 . . % . . . . 10031 1 7 D2O . . . . . . solvent 10 . . % . . . . 10031 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 10031 _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 10031 1 pH 7.0 0.05 pH 10031 1 pressure 1 0.001 atm 10031 1 temperature 298 0.1 K 10031 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10031 _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 . . 10031 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10031 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10031 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10031 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10031 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10031 _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.' . . 10031 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10031 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10031 _Software.ID 4 _Software.Name Kujira _Software.Version 0.901 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10031 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10031 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10031 _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.' . . 10031 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10031 5 'structure solution' 10031 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 10031 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10031 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10031 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10031 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10031 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10031 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10031 _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 . . . . . . . . . 10031 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10031 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10031 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 10031 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10031 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10031 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 4 4 GLY H H 1 8.502 0.030 . 1 . . . . 4 GLY H . 10031 1 2 . 1 1 4 4 GLY N N 15 118.153 0.300 . 1 . . . . 4 GLY N . 10031 1 3 . 1 1 6 6 SER HA H 1 4.472 0.030 . 1 . . . . 6 SER HA . 10031 1 4 . 1 1 6 6 SER HB2 H 1 3.902 0.030 . 2 . . . . 6 SER HB2 . 10031 1 5 . 1 1 7 7 GLY H H 1 8.195 0.030 . 1 . . . . 7 GLY H . 10031 1 6 . 1 1 7 7 GLY HA2 H 1 4.172 0.030 . 2 . . . . 7 GLY HA2 . 10031 1 7 . 1 1 7 7 GLY HA3 H 1 4.076 0.030 . 2 . . . . 7 GLY HA3 . 10031 1 8 . 1 1 7 7 GLY CA C 13 44.758 0.300 . 1 . . . . 7 GLY CA . 10031 1 9 . 1 1 7 7 GLY N N 15 110.514 0.300 . 1 . . . . 7 GLY N . 10031 1 10 . 1 1 8 8 PRO HA H 1 4.229 0.030 . 1 . . . . 8 PRO HA . 10031 1 11 . 1 1 8 8 PRO HB2 H 1 1.885 0.030 . 2 . . . . 8 PRO HB2 . 10031 1 12 . 1 1 8 8 PRO HB3 H 1 2.110 0.030 . 2 . . . . 8 PRO HB3 . 10031 1 13 . 1 1 8 8 PRO HG2 H 1 2.068 0.030 . 2 . . . . 8 PRO HG2 . 10031 1 14 . 1 1 8 8 PRO HG3 H 1 1.940 0.030 . 2 . . . . 8 PRO HG3 . 10031 1 15 . 1 1 8 8 PRO HD2 H 1 3.599 0.030 . 2 . . . . 8 PRO HD2 . 10031 1 16 . 1 1 8 8 PRO HD3 H 1 3.739 0.030 . 2 . . . . 8 PRO HD3 . 10031 1 17 . 1 1 8 8 PRO C C 13 177.179 0.300 . 1 . . . . 8 PRO C . 10031 1 18 . 1 1 8 8 PRO CA C 13 64.510 0.300 . 1 . . . . 8 PRO CA . 10031 1 19 . 1 1 8 8 PRO CB C 13 31.940 0.300 . 1 . . . . 8 PRO CB . 10031 1 20 . 1 1 8 8 PRO CG C 13 27.464 0.300 . 1 . . . . 8 PRO CG . 10031 1 21 . 1 1 8 8 PRO CD C 13 49.723 0.300 . 1 . . . . 8 PRO CD . 10031 1 22 . 1 1 9 9 ILE H H 1 7.647 0.030 . 1 . . . . 9 ILE H . 10031 1 23 . 1 1 9 9 ILE HA H 1 3.080 0.030 . 1 . . . . 9 ILE HA . 10031 1 24 . 1 1 9 9 ILE HB H 1 1.506 0.030 . 1 . . . . 9 ILE HB . 10031 1 25 . 1 1 9 9 ILE HG12 H 1 1.189 0.030 . 2 . . . . 9 ILE HG12 . 10031 1 26 . 1 1 9 9 ILE HG13 H 1 0.413 0.030 . 2 . . . . 9 ILE HG13 . 10031 1 27 . 1 1 9 9 ILE HG21 H 1 0.584 0.030 . 1 . . . . 9 ILE HG2 . 10031 1 28 . 1 1 9 9 ILE HG22 H 1 0.584 0.030 . 1 . . . . 9 ILE HG2 . 10031 1 29 . 1 1 9 9 ILE HG23 H 1 0.584 0.030 . 1 . . . . 9 ILE HG2 . 10031 1 30 . 1 1 9 9 ILE HD11 H 1 0.736 0.030 . 1 . . . . 9 ILE HD1 . 10031 1 31 . 1 1 9 9 ILE HD12 H 1 0.736 0.030 . 1 . . . . 9 ILE HD1 . 10031 1 32 . 1 1 9 9 ILE HD13 H 1 0.736 0.030 . 1 . . . . 9 ILE HD1 . 10031 1 33 . 1 1 9 9 ILE C C 13 177.499 0.300 . 1 . . . . 9 ILE C . 10031 1 34 . 1 1 9 9 ILE CA C 13 64.845 0.300 . 1 . . . . 9 ILE CA . 10031 1 35 . 1 1 9 9 ILE CB C 13 37.980 0.300 . 1 . . . . 9 ILE CB . 10031 1 36 . 1 1 9 9 ILE CG1 C 13 28.827 0.300 . 1 . . . . 9 ILE CG1 . 10031 1 37 . 1 1 9 9 ILE CG2 C 13 17.891 0.300 . 1 . . . . 9 ILE CG2 . 10031 1 38 . 1 1 9 9 ILE CD1 C 13 13.517 0.300 . 1 . . . . 9 ILE CD1 . 10031 1 39 . 1 1 9 9 ILE N N 15 116.166 0.300 . 1 . . . . 9 ILE N . 10031 1 40 . 1 1 10 10 ASP H H 1 7.755 0.030 . 1 . . . . 10 ASP H . 10031 1 41 . 1 1 10 10 ASP HA H 1 4.311 0.030 . 1 . . . . 10 ASP HA . 10031 1 42 . 1 1 10 10 ASP HB2 H 1 2.647 0.030 . 2 . . . . 10 ASP HB2 . 10031 1 43 . 1 1 10 10 ASP HB3 H 1 2.539 0.030 . 2 . . . . 10 ASP HB3 . 10031 1 44 . 1 1 10 10 ASP C C 13 177.023 0.300 . 1 . . . . 10 ASP C . 10031 1 45 . 1 1 10 10 ASP CA C 13 55.397 0.300 . 1 . . . . 10 ASP CA . 10031 1 46 . 1 1 10 10 ASP CB C 13 40.777 0.300 . 1 . . . . 10 ASP CB . 10031 1 47 . 1 1 10 10 ASP N N 15 116.996 0.300 . 1 . . . . 10 ASP N . 10031 1 48 . 1 1 11 11 LEU H H 1 7.453 0.030 . 1 . . . . 11 LEU H . 10031 1 49 . 1 1 11 11 LEU HA H 1 4.131 0.030 . 1 . . . . 11 LEU HA . 10031 1 50 . 1 1 11 11 LEU HB2 H 1 1.768 0.030 . 2 . . . . 11 LEU HB2 . 10031 1 51 . 1 1 11 11 LEU HB3 H 1 1.362 0.030 . 2 . . . . 11 LEU HB3 . 10031 1 52 . 1 1 11 11 LEU HG H 1 1.621 0.030 . 1 . . . . 11 LEU HG . 10031 1 53 . 1 1 11 11 LEU HD11 H 1 0.801 0.030 . 1 . . . . 11 LEU HD1 . 10031 1 54 . 1 1 11 11 LEU HD12 H 1 0.801 0.030 . 1 . . . . 11 LEU HD1 . 10031 1 55 . 1 1 11 11 LEU HD13 H 1 0.801 0.030 . 1 . . . . 11 LEU HD1 . 10031 1 56 . 1 1 11 11 LEU HD21 H 1 0.798 0.030 . 1 . . . . 11 LEU HD2 . 10031 1 57 . 1 1 11 11 LEU HD22 H 1 0.798 0.030 . 1 . . . . 11 LEU HD2 . 10031 1 58 . 1 1 11 11 LEU HD23 H 1 0.798 0.030 . 1 . . . . 11 LEU HD2 . 10031 1 59 . 1 1 11 11 LEU C C 13 176.806 0.300 . 1 . . . . 11 LEU C . 10031 1 60 . 1 1 11 11 LEU CA C 13 55.183 0.300 . 1 . . . . 11 LEU CA . 10031 1 61 . 1 1 11 11 LEU CB C 13 42.229 0.300 . 1 . . . . 11 LEU CB . 10031 1 62 . 1 1 11 11 LEU CG C 13 26.516 0.300 . 1 . . . . 11 LEU CG . 10031 1 63 . 1 1 11 11 LEU CD1 C 13 25.504 0.300 . 2 . . . . 11 LEU CD1 . 10031 1 64 . 1 1 11 11 LEU CD2 C 13 22.222 0.300 . 2 . . . . 11 LEU CD2 . 10031 1 65 . 1 1 11 11 LEU N N 15 117.356 0.300 . 1 . . . . 11 LEU N . 10031 1 66 . 1 1 12 12 ILE H H 1 7.091 0.030 . 1 . . . . 12 ILE H . 10031 1 67 . 1 1 12 12 ILE HA H 1 3.961 0.030 . 1 . . . . 12 ILE HA . 10031 1 68 . 1 1 12 12 ILE HB H 1 1.746 0.030 . 1 . . . . 12 ILE HB . 10031 1 69 . 1 1 12 12 ILE HG12 H 1 0.628 0.030 . 2 . . . . 12 ILE HG12 . 10031 1 70 . 1 1 12 12 ILE HG13 H 1 1.623 0.030 . 2 . . . . 12 ILE HG13 . 10031 1 71 . 1 1 12 12 ILE HG21 H 1 0.804 0.030 . 1 . . . . 12 ILE HG2 . 10031 1 72 . 1 1 12 12 ILE HG22 H 1 0.804 0.030 . 1 . . . . 12 ILE HG2 . 10031 1 73 . 1 1 12 12 ILE HG23 H 1 0.804 0.030 . 1 . . . . 12 ILE HG2 . 10031 1 74 . 1 1 12 12 ILE HD11 H 1 0.621 0.030 . 1 . . . . 12 ILE HD1 . 10031 1 75 . 1 1 12 12 ILE HD12 H 1 0.621 0.030 . 1 . . . . 12 ILE HD1 . 10031 1 76 . 1 1 12 12 ILE HD13 H 1 0.621 0.030 . 1 . . . . 12 ILE HD1 . 10031 1 77 . 1 1 12 12 ILE C C 13 175.129 0.300 . 1 . . . . 12 ILE C . 10031 1 78 . 1 1 12 12 ILE CA C 13 61.329 0.300 . 1 . . . . 12 ILE CA . 10031 1 79 . 1 1 12 12 ILE CB C 13 36.573 0.300 . 1 . . . . 12 ILE CB . 10031 1 80 . 1 1 12 12 ILE CG1 C 13 27.278 0.300 . 1 . . . . 12 ILE CG1 . 10031 1 81 . 1 1 12 12 ILE CG2 C 13 19.231 0.300 . 1 . . . . 12 ILE CG2 . 10031 1 82 . 1 1 12 12 ILE CD1 C 13 14.497 0.300 . 1 . . . . 12 ILE CD1 . 10031 1 83 . 1 1 12 12 ILE N N 15 118.079 0.300 . 1 . . . . 12 ILE N . 10031 1 84 . 1 1 13 13 THR H H 1 7.166 0.030 . 1 . . . . 13 THR H . 10031 1 85 . 1 1 13 13 THR HA H 1 4.396 0.030 . 1 . . . . 13 THR HA . 10031 1 86 . 1 1 13 13 THR HB H 1 4.235 0.030 . 1 . . . . 13 THR HB . 10031 1 87 . 1 1 13 13 THR HG21 H 1 1.192 0.030 . 1 . . . . 13 THR HG2 . 10031 1 88 . 1 1 13 13 THR HG22 H 1 1.192 0.030 . 1 . . . . 13 THR HG2 . 10031 1 89 . 1 1 13 13 THR HG23 H 1 1.192 0.030 . 1 . . . . 13 THR HG2 . 10031 1 90 . 1 1 13 13 THR C C 13 176.259 0.300 . 1 . . . . 13 THR C . 10031 1 91 . 1 1 13 13 THR CA C 13 59.916 0.300 . 1 . . . . 13 THR CA . 10031 1 92 . 1 1 13 13 THR CB C 13 70.307 0.300 . 1 . . . . 13 THR CB . 10031 1 93 . 1 1 13 13 THR CG2 C 13 22.224 0.300 . 1 . . . . 13 THR CG2 . 10031 1 94 . 1 1 13 13 THR N N 15 116.848 0.300 . 1 . . . . 13 THR N . 10031 1 95 . 1 1 14 14 VAL H H 1 8.653 0.030 . 1 . . . . 14 VAL H . 10031 1 96 . 1 1 14 14 VAL HA H 1 3.466 0.030 . 1 . . . . 14 VAL HA . 10031 1 97 . 1 1 14 14 VAL HB H 1 1.954 0.030 . 1 . . . . 14 VAL HB . 10031 1 98 . 1 1 14 14 VAL HG11 H 1 0.989 0.030 . 1 . . . . 14 VAL HG1 . 10031 1 99 . 1 1 14 14 VAL HG12 H 1 0.989 0.030 . 1 . . . . 14 VAL HG1 . 10031 1 100 . 1 1 14 14 VAL HG13 H 1 0.989 0.030 . 1 . . . . 14 VAL HG1 . 10031 1 101 . 1 1 14 14 VAL HG21 H 1 0.980 0.030 . 1 . . . . 14 VAL HG2 . 10031 1 102 . 1 1 14 14 VAL HG22 H 1 0.980 0.030 . 1 . . . . 14 VAL HG2 . 10031 1 103 . 1 1 14 14 VAL HG23 H 1 0.980 0.030 . 1 . . . . 14 VAL HG2 . 10031 1 104 . 1 1 14 14 VAL C C 13 177.228 0.300 . 1 . . . . 14 VAL C . 10031 1 105 . 1 1 14 14 VAL CA C 13 65.357 0.300 . 1 . . . . 14 VAL CA . 10031 1 106 . 1 1 14 14 VAL CB C 13 31.527 0.300 . 1 . . . . 14 VAL CB . 10031 1 107 . 1 1 14 14 VAL CG1 C 13 22.324 0.300 . 2 . . . . 14 VAL CG1 . 10031 1 108 . 1 1 14 14 VAL CG2 C 13 21.072 0.300 . 2 . . . . 14 VAL CG2 . 10031 1 109 . 1 1 14 14 VAL N N 15 123.863 0.300 . 1 . . . . 14 VAL N . 10031 1 110 . 1 1 15 15 GLY H H 1 9.663 0.030 . 1 . . . . 15 GLY H . 10031 1 111 . 1 1 15 15 GLY HA2 H 1 4.419 0.030 . 2 . . . . 15 GLY HA2 . 10031 1 112 . 1 1 15 15 GLY HA3 H 1 3.595 0.030 . 2 . . . . 15 GLY HA3 . 10031 1 113 . 1 1 15 15 GLY C C 13 174.741 0.300 . 1 . . . . 15 GLY C . 10031 1 114 . 1 1 15 15 GLY CA C 13 44.355 0.300 . 1 . . . . 15 GLY CA . 10031 1 115 . 1 1 15 15 GLY N N 15 116.956 0.300 . 1 . . . . 15 GLY N . 10031 1 116 . 1 1 16 16 SER H H 1 7.924 0.030 . 1 . . . . 16 SER H . 10031 1 117 . 1 1 16 16 SER HA H 1 4.419 0.030 . 1 . . . . 16 SER HA . 10031 1 118 . 1 1 16 16 SER HB2 H 1 3.866 0.030 . 1 . . . . 16 SER HB2 . 10031 1 119 . 1 1 16 16 SER HB3 H 1 3.866 0.030 . 1 . . . . 16 SER HB3 . 10031 1 120 . 1 1 16 16 SER C C 13 171.675 0.300 . 1 . . . . 16 SER C . 10031 1 121 . 1 1 16 16 SER CA C 13 60.742 0.300 . 1 . . . . 16 SER CA . 10031 1 122 . 1 1 16 16 SER CB C 13 64.239 0.300 . 1 . . . . 16 SER CB . 10031 1 123 . 1 1 16 16 SER N N 15 116.911 0.300 . 1 . . . . 16 SER N . 10031 1 124 . 1 1 17 17 LEU H H 1 8.191 0.030 . 1 . . . . 17 LEU H . 10031 1 125 . 1 1 17 17 LEU HA H 1 5.546 0.030 . 1 . . . . 17 LEU HA . 10031 1 126 . 1 1 17 17 LEU HB2 H 1 1.754 0.030 . 2 . . . . 17 LEU HB2 . 10031 1 127 . 1 1 17 17 LEU HB3 H 1 1.159 0.030 . 2 . . . . 17 LEU HB3 . 10031 1 128 . 1 1 17 17 LEU HG H 1 1.783 0.030 . 1 . . . . 17 LEU HG . 10031 1 129 . 1 1 17 17 LEU HD11 H 1 0.789 0.030 . 1 . . . . 17 LEU HD1 . 10031 1 130 . 1 1 17 17 LEU HD12 H 1 0.789 0.030 . 1 . . . . 17 LEU HD1 . 10031 1 131 . 1 1 17 17 LEU HD13 H 1 0.789 0.030 . 1 . . . . 17 LEU HD1 . 10031 1 132 . 1 1 17 17 LEU HD21 H 1 1.017 0.030 . 1 . . . . 17 LEU HD2 . 10031 1 133 . 1 1 17 17 LEU HD22 H 1 1.017 0.030 . 1 . . . . 17 LEU HD2 . 10031 1 134 . 1 1 17 17 LEU HD23 H 1 1.017 0.030 . 1 . . . . 17 LEU HD2 . 10031 1 135 . 1 1 17 17 LEU C C 13 176.281 0.300 . 1 . . . . 17 LEU C . 10031 1 136 . 1 1 17 17 LEU CA C 13 53.777 0.300 . 1 . . . . 17 LEU CA . 10031 1 137 . 1 1 17 17 LEU CB C 13 44.098 0.300 . 1 . . . . 17 LEU CB . 10031 1 138 . 1 1 17 17 LEU CG C 13 27.186 0.300 . 1 . . . . 17 LEU CG . 10031 1 139 . 1 1 17 17 LEU CD1 C 13 23.984 0.300 . 2 . . . . 17 LEU CD1 . 10031 1 140 . 1 1 17 17 LEU CD2 C 13 26.805 0.300 . 2 . . . . 17 LEU CD2 . 10031 1 141 . 1 1 17 17 LEU N N 15 121.282 0.300 . 1 . . . . 17 LEU N . 10031 1 142 . 1 1 18 18 ILE H H 1 8.794 0.030 . 1 . . . . 18 ILE H . 10031 1 143 . 1 1 18 18 ILE HA H 1 4.268 0.030 . 1 . . . . 18 ILE HA . 10031 1 144 . 1 1 18 18 ILE HB H 1 1.348 0.030 . 1 . . . . 18 ILE HB . 10031 1 145 . 1 1 18 18 ILE HG12 H 1 1.434 0.030 . 2 . . . . 18 ILE HG12 . 10031 1 146 . 1 1 18 18 ILE HG13 H 1 0.981 0.030 . 2 . . . . 18 ILE HG13 . 10031 1 147 . 1 1 18 18 ILE HG21 H 1 1.195 0.030 . 1 . . . . 18 ILE HG2 . 10031 1 148 . 1 1 18 18 ILE HG22 H 1 1.195 0.030 . 1 . . . . 18 ILE HG2 . 10031 1 149 . 1 1 18 18 ILE HG23 H 1 1.195 0.030 . 1 . . . . 18 ILE HG2 . 10031 1 150 . 1 1 18 18 ILE HD11 H 1 0.610 0.030 . 1 . . . . 18 ILE HD1 . 10031 1 151 . 1 1 18 18 ILE HD12 H 1 0.610 0.030 . 1 . . . . 18 ILE HD1 . 10031 1 152 . 1 1 18 18 ILE HD13 H 1 0.610 0.030 . 1 . . . . 18 ILE HD1 . 10031 1 153 . 1 1 18 18 ILE C C 13 174.426 0.300 . 1 . . . . 18 ILE C . 10031 1 154 . 1 1 18 18 ILE CA C 13 61.438 0.300 . 1 . . . . 18 ILE CA . 10031 1 155 . 1 1 18 18 ILE CB C 13 43.330 0.300 . 1 . . . . 18 ILE CB . 10031 1 156 . 1 1 18 18 ILE CG1 C 13 27.508 0.300 . 1 . . . . 18 ILE CG1 . 10031 1 157 . 1 1 18 18 ILE CG2 C 13 19.617 0.300 . 1 . . . . 18 ILE CG2 . 10031 1 158 . 1 1 18 18 ILE CD1 C 13 14.209 0.300 . 1 . . . . 18 ILE CD1 . 10031 1 159 . 1 1 18 18 ILE N N 15 120.095 0.300 . 1 . . . . 18 ILE N . 10031 1 160 . 1 1 19 19 GLU H H 1 8.792 0.030 . 1 . . . . 19 GLU H . 10031 1 161 . 1 1 19 19 GLU HA H 1 4.802 0.030 . 1 . . . . 19 GLU HA . 10031 1 162 . 1 1 19 19 GLU HB2 H 1 1.884 0.030 . 1 . . . . 19 GLU HB2 . 10031 1 163 . 1 1 19 19 GLU HB3 H 1 1.884 0.030 . 1 . . . . 19 GLU HB3 . 10031 1 164 . 1 1 19 19 GLU HG2 H 1 2.209 0.030 . 2 . . . . 19 GLU HG2 . 10031 1 165 . 1 1 19 19 GLU HG3 H 1 2.017 0.030 . 2 . . . . 19 GLU HG3 . 10031 1 166 . 1 1 19 19 GLU C C 13 175.049 0.300 . 1 . . . . 19 GLU C . 10031 1 167 . 1 1 19 19 GLU CA C 13 57.088 0.300 . 1 . . . . 19 GLU CA . 10031 1 168 . 1 1 19 19 GLU CB C 13 31.208 0.300 . 1 . . . . 19 GLU CB . 10031 1 169 . 1 1 19 19 GLU CG C 13 39.570 0.300 . 1 . . . . 19 GLU CG . 10031 1 170 . 1 1 19 19 GLU N N 15 124.088 0.300 . 1 . . . . 19 GLU N . 10031 1 171 . 1 1 20 20 LEU H H 1 8.939 0.030 . 1 . . . . 20 LEU H . 10031 1 172 . 1 1 20 20 LEU HA H 1 5.260 0.030 . 1 . . . . 20 LEU HA . 10031 1 173 . 1 1 20 20 LEU HB2 H 1 1.063 0.030 . 2 . . . . 20 LEU HB2 . 10031 1 174 . 1 1 20 20 LEU HB3 H 1 1.823 0.030 . 2 . . . . 20 LEU HB3 . 10031 1 175 . 1 1 20 20 LEU HG H 1 1.500 0.030 . 1 . . . . 20 LEU HG . 10031 1 176 . 1 1 20 20 LEU HD11 H 1 0.692 0.030 . 1 . . . . 20 LEU HD1 . 10031 1 177 . 1 1 20 20 LEU HD12 H 1 0.692 0.030 . 1 . . . . 20 LEU HD1 . 10031 1 178 . 1 1 20 20 LEU HD13 H 1 0.692 0.030 . 1 . . . . 20 LEU HD1 . 10031 1 179 . 1 1 20 20 LEU HD21 H 1 0.761 0.030 . 1 . . . . 20 LEU HD2 . 10031 1 180 . 1 1 20 20 LEU HD22 H 1 0.761 0.030 . 1 . . . . 20 LEU HD2 . 10031 1 181 . 1 1 20 20 LEU HD23 H 1 0.761 0.030 . 1 . . . . 20 LEU HD2 . 10031 1 182 . 1 1 20 20 LEU C C 13 176.367 0.300 . 1 . . . . 20 LEU C . 10031 1 183 . 1 1 20 20 LEU CA C 13 52.706 0.300 . 1 . . . . 20 LEU CA . 10031 1 184 . 1 1 20 20 LEU CB C 13 46.411 0.300 . 1 . . . . 20 LEU CB . 10031 1 185 . 1 1 20 20 LEU CG C 13 26.975 0.300 . 1 . . . . 20 LEU CG . 10031 1 186 . 1 1 20 20 LEU CD1 C 13 25.205 0.300 . 2 . . . . 20 LEU CD1 . 10031 1 187 . 1 1 20 20 LEU CD2 C 13 27.235 0.300 . 2 . . . . 20 LEU CD2 . 10031 1 188 . 1 1 20 20 LEU N N 15 121.472 0.300 . 1 . . . . 20 LEU N . 10031 1 189 . 1 1 21 21 GLN H H 1 9.524 0.030 . 1 . . . . 21 GLN H . 10031 1 190 . 1 1 21 21 GLN HA H 1 3.049 0.030 . 1 . . . . 21 GLN HA . 10031 1 191 . 1 1 21 21 GLN HB2 H 1 1.694 0.030 . 2 . . . . 21 GLN HB2 . 10031 1 192 . 1 1 21 21 GLN HB3 H 1 1.905 0.030 . 2 . . . . 21 GLN HB3 . 10031 1 193 . 1 1 21 21 GLN HG2 H 1 2.384 0.030 . 2 . . . . 21 GLN HG2 . 10031 1 194 . 1 1 21 21 GLN HG3 H 1 1.777 0.030 . 2 . . . . 21 GLN HG3 . 10031 1 195 . 1 1 21 21 GLN HE21 H 1 7.834 0.030 . 2 . . . . 21 GLN HE21 . 10031 1 196 . 1 1 21 21 GLN HE22 H 1 6.870 0.030 . 2 . . . . 21 GLN HE22 . 10031 1 197 . 1 1 21 21 GLN C C 13 174.570 0.300 . 1 . . . . 21 GLN C . 10031 1 198 . 1 1 21 21 GLN CA C 13 56.480 0.300 . 1 . . . . 21 GLN CA . 10031 1 199 . 1 1 21 21 GLN CB C 13 30.623 0.300 . 1 . . . . 21 GLN CB . 10031 1 200 . 1 1 21 21 GLN CG C 13 33.264 0.300 . 1 . . . . 21 GLN CG . 10031 1 201 . 1 1 21 21 GLN N N 15 133.036 0.300 . 1 . . . . 21 GLN N . 10031 1 202 . 1 1 21 21 GLN NE2 N 15 112.813 0.300 . 1 . . . . 21 GLN NE2 . 10031 1 203 . 1 1 22 22 ASP H H 1 8.908 0.030 . 1 . . . . 22 ASP H . 10031 1 204 . 1 1 22 22 ASP HA H 1 4.221 0.030 . 1 . . . . 22 ASP HA . 10031 1 205 . 1 1 22 22 ASP HB2 H 1 3.400 0.030 . 2 . . . . 22 ASP HB2 . 10031 1 206 . 1 1 22 22 ASP HB3 H 1 2.423 0.030 . 2 . . . . 22 ASP HB3 . 10031 1 207 . 1 1 22 22 ASP C C 13 176.334 0.300 . 1 . . . . 22 ASP C . 10031 1 208 . 1 1 22 22 ASP CA C 13 55.657 0.300 . 1 . . . . 22 ASP CA . 10031 1 209 . 1 1 22 22 ASP CB C 13 43.148 0.300 . 1 . . . . 22 ASP CB . 10031 1 210 . 1 1 22 22 ASP N N 15 131.355 0.300 . 1 . . . . 22 ASP N . 10031 1 211 . 1 1 23 23 SER H H 1 8.610 0.030 . 1 . . . . 23 SER H . 10031 1 212 . 1 1 23 23 SER HA H 1 4.029 0.030 . 1 . . . . 23 SER HA . 10031 1 213 . 1 1 23 23 SER HB2 H 1 3.848 0.030 . 2 . . . . 23 SER HB2 . 10031 1 214 . 1 1 23 23 SER HB3 H 1 3.979 0.030 . 2 . . . . 23 SER HB3 . 10031 1 215 . 1 1 23 23 SER C C 13 174.781 0.300 . 1 . . . . 23 SER C . 10031 1 216 . 1 1 23 23 SER CA C 13 60.893 0.300 . 1 . . . . 23 SER CA . 10031 1 217 . 1 1 23 23 SER CB C 13 63.441 0.300 . 1 . . . . 23 SER CB . 10031 1 218 . 1 1 23 23 SER N N 15 119.311 0.300 . 1 . . . . 23 SER N . 10031 1 219 . 1 1 24 24 GLN H H 1 8.721 0.030 . 1 . . . . 24 GLN H . 10031 1 220 . 1 1 24 24 GLN HA H 1 4.465 0.030 . 1 . . . . 24 GLN HA . 10031 1 221 . 1 1 24 24 GLN HB2 H 1 2.005 0.030 . 2 . . . . 24 GLN HB2 . 10031 1 222 . 1 1 24 24 GLN HB3 H 1 2.122 0.030 . 2 . . . . 24 GLN HB3 . 10031 1 223 . 1 1 24 24 GLN HG2 H 1 2.303 0.030 . 2 . . . . 24 GLN HG2 . 10031 1 224 . 1 1 24 24 GLN HG3 H 1 2.378 0.030 . 2 . . . . 24 GLN HG3 . 10031 1 225 . 1 1 24 24 GLN HE21 H 1 7.548 0.030 . 2 . . . . 24 GLN HE21 . 10031 1 226 . 1 1 24 24 GLN HE22 H 1 6.842 0.030 . 2 . . . . 24 GLN HE22 . 10031 1 227 . 1 1 24 24 GLN C C 13 175.776 0.300 . 1 . . . . 24 GLN C . 10031 1 228 . 1 1 24 24 GLN CA C 13 56.251 0.300 . 1 . . . . 24 GLN CA . 10031 1 229 . 1 1 24 24 GLN CB C 13 30.484 0.300 . 1 . . . . 24 GLN CB . 10031 1 230 . 1 1 24 24 GLN CG C 13 34.222 0.300 . 1 . . . . 24 GLN CG . 10031 1 231 . 1 1 24 24 GLN N N 15 119.742 0.300 . 1 . . . . 24 GLN N . 10031 1 232 . 1 1 24 24 GLN NE2 N 15 112.893 0.300 . 1 . . . . 24 GLN NE2 . 10031 1 233 . 1 1 25 25 ASN H H 1 8.168 0.030 . 1 . . . . 25 ASN H . 10031 1 234 . 1 1 25 25 ASN HA H 1 5.041 0.030 . 1 . . . . 25 ASN HA . 10031 1 235 . 1 1 25 25 ASN HB2 H 1 2.657 0.030 . 2 . . . . 25 ASN HB2 . 10031 1 236 . 1 1 25 25 ASN HB3 H 1 2.850 0.030 . 2 . . . . 25 ASN HB3 . 10031 1 237 . 1 1 25 25 ASN HD21 H 1 7.409 0.030 . 2 . . . . 25 ASN HD21 . 10031 1 238 . 1 1 25 25 ASN HD22 H 1 7.056 0.030 . 2 . . . . 25 ASN HD22 . 10031 1 239 . 1 1 25 25 ASN C C 13 172.534 0.300 . 1 . . . . 25 ASN C . 10031 1 240 . 1 1 25 25 ASN CA C 13 49.362 0.300 . 1 . . . . 25 ASN CA . 10031 1 241 . 1 1 25 25 ASN CB C 13 39.664 0.300 . 1 . . . . 25 ASN CB . 10031 1 242 . 1 1 25 25 ASN N N 15 118.927 0.300 . 1 . . . . 25 ASN N . 10031 1 243 . 1 1 25 25 ASN ND2 N 15 111.924 0.300 . 1 . . . . 25 ASN ND2 . 10031 1 244 . 1 1 26 26 PRO HA H 1 4.181 0.030 . 1 . . . . 26 PRO HA . 10031 1 245 . 1 1 26 26 PRO HB2 H 1 2.005 0.030 . 2 . . . . 26 PRO HB2 . 10031 1 246 . 1 1 26 26 PRO HB3 H 1 1.303 0.030 . 2 . . . . 26 PRO HB3 . 10031 1 247 . 1 1 26 26 PRO HG2 H 1 1.747 0.030 . 2 . . . . 26 PRO HG2 . 10031 1 248 . 1 1 26 26 PRO HG3 H 1 1.302 0.030 . 2 . . . . 26 PRO HG3 . 10031 1 249 . 1 1 26 26 PRO HD2 H 1 3.674 0.030 . 2 . . . . 26 PRO HD2 . 10031 1 250 . 1 1 26 26 PRO HD3 H 1 3.621 0.030 . 2 . . . . 26 PRO HD3 . 10031 1 251 . 1 1 26 26 PRO C C 13 175.629 0.300 . 1 . . . . 26 PRO C . 10031 1 252 . 1 1 26 26 PRO CA C 13 63.371 0.300 . 1 . . . . 26 PRO CA . 10031 1 253 . 1 1 26 26 PRO CB C 13 31.783 0.300 . 1 . . . . 26 PRO CB . 10031 1 254 . 1 1 26 26 PRO CG C 13 26.475 0.300 . 1 . . . . 26 PRO CG . 10031 1 255 . 1 1 26 26 PRO CD C 13 50.485 0.300 . 1 . . . . 26 PRO CD . 10031 1 256 . 1 1 27 27 PHE H H 1 7.480 0.030 . 1 . . . . 27 PHE H . 10031 1 257 . 1 1 27 27 PHE HA H 1 4.482 0.030 . 1 . . . . 27 PHE HA . 10031 1 258 . 1 1 27 27 PHE HB2 H 1 3.399 0.030 . 2 . . . . 27 PHE HB2 . 10031 1 259 . 1 1 27 27 PHE HB3 H 1 2.850 0.030 . 2 . . . . 27 PHE HB3 . 10031 1 260 . 1 1 27 27 PHE HD1 H 1 6.999 0.030 . 1 . . . . 27 PHE HD1 . 10031 1 261 . 1 1 27 27 PHE HD2 H 1 6.999 0.030 . 1 . . . . 27 PHE HD2 . 10031 1 262 . 1 1 27 27 PHE HE1 H 1 7.399 0.030 . 1 . . . . 27 PHE HE1 . 10031 1 263 . 1 1 27 27 PHE HE2 H 1 7.399 0.030 . 1 . . . . 27 PHE HE2 . 10031 1 264 . 1 1 27 27 PHE HZ H 1 7.329 0.030 . 1 . . . . 27 PHE HZ . 10031 1 265 . 1 1 27 27 PHE C C 13 173.392 0.300 . 1 . . . . 27 PHE C . 10031 1 266 . 1 1 27 27 PHE CA C 13 55.220 0.300 . 1 . . . . 27 PHE CA . 10031 1 267 . 1 1 27 27 PHE CB C 13 37.938 0.300 . 1 . . . . 27 PHE CB . 10031 1 268 . 1 1 27 27 PHE CD1 C 13 131.641 0.300 . 1 . . . . 27 PHE CD1 . 10031 1 269 . 1 1 27 27 PHE CD2 C 13 131.641 0.300 . 1 . . . . 27 PHE CD2 . 10031 1 270 . 1 1 27 27 PHE CE1 C 13 131.431 0.300 . 1 . . . . 27 PHE CE1 . 10031 1 271 . 1 1 27 27 PHE CE2 C 13 131.431 0.300 . 1 . . . . 27 PHE CE2 . 10031 1 272 . 1 1 27 27 PHE CZ C 13 129.625 0.300 . 1 . . . . 27 PHE CZ . 10031 1 273 . 1 1 27 27 PHE N N 15 116.722 0.300 . 1 . . . . 27 PHE N . 10031 1 274 . 1 1 28 28 GLN H H 1 7.697 0.030 . 1 . . . . 28 GLN H . 10031 1 275 . 1 1 28 28 GLN HA H 1 5.917 0.030 . 1 . . . . 28 GLN HA . 10031 1 276 . 1 1 28 28 GLN HB2 H 1 1.873 0.030 . 2 . . . . 28 GLN HB2 . 10031 1 277 . 1 1 28 28 GLN HB3 H 1 2.016 0.030 . 2 . . . . 28 GLN HB3 . 10031 1 278 . 1 1 28 28 GLN HG2 H 1 2.296 0.030 . 2 . . . . 28 GLN HG2 . 10031 1 279 . 1 1 28 28 GLN HG3 H 1 2.561 0.030 . 2 . . . . 28 GLN HG3 . 10031 1 280 . 1 1 28 28 GLN HE21 H 1 6.376 0.030 . 2 . . . . 28 GLN HE21 . 10031 1 281 . 1 1 28 28 GLN HE22 H 1 6.159 0.030 . 2 . . . . 28 GLN HE22 . 10031 1 282 . 1 1 28 28 GLN C C 13 172.490 0.300 . 1 . . . . 28 GLN C . 10031 1 283 . 1 1 28 28 GLN CA C 13 53.718 0.300 . 1 . . . . 28 GLN CA . 10031 1 284 . 1 1 28 28 GLN CB C 13 31.991 0.300 . 1 . . . . 28 GLN CB . 10031 1 285 . 1 1 28 28 GLN CG C 13 33.636 0.300 . 1 . . . . 28 GLN CG . 10031 1 286 . 1 1 28 28 GLN N N 15 123.930 0.300 . 1 . . . . 28 GLN N . 10031 1 287 . 1 1 28 28 GLN NE2 N 15 110.604 0.300 . 1 . . . . 28 GLN NE2 . 10031 1 288 . 1 1 29 29 TYR H H 1 9.225 0.030 . 1 . . . . 29 TYR H . 10031 1 289 . 1 1 29 29 TYR HA H 1 5.251 0.030 . 1 . . . . 29 TYR HA . 10031 1 290 . 1 1 29 29 TYR HB2 H 1 3.081 0.030 . 2 . . . . 29 TYR HB2 . 10031 1 291 . 1 1 29 29 TYR HB3 H 1 2.872 0.030 . 2 . . . . 29 TYR HB3 . 10031 1 292 . 1 1 29 29 TYR HD1 H 1 7.045 0.030 . 1 . . . . 29 TYR HD1 . 10031 1 293 . 1 1 29 29 TYR HD2 H 1 7.045 0.030 . 1 . . . . 29 TYR HD2 . 10031 1 294 . 1 1 29 29 TYR C C 13 173.756 0.300 . 1 . . . . 29 TYR C . 10031 1 295 . 1 1 29 29 TYR CA C 13 57.132 0.300 . 1 . . . . 29 TYR CA . 10031 1 296 . 1 1 29 29 TYR CB C 13 44.398 0.300 . 1 . . . . 29 TYR CB . 10031 1 297 . 1 1 29 29 TYR CD1 C 13 133.013 0.300 . 1 . . . . 29 TYR CD1 . 10031 1 298 . 1 1 29 29 TYR CD2 C 13 133.013 0.300 . 1 . . . . 29 TYR CD2 . 10031 1 299 . 1 1 29 29 TYR N N 15 123.721 0.300 . 1 . . . . 29 TYR N . 10031 1 300 . 1 1 30 30 TRP H H 1 8.305 0.030 . 1 . . . . 30 TRP H . 10031 1 301 . 1 1 30 30 TRP HA H 1 5.345 0.030 . 1 . . . . 30 TRP HA . 10031 1 302 . 1 1 30 30 TRP HB2 H 1 3.517 0.030 . 2 . . . . 30 TRP HB2 . 10031 1 303 . 1 1 30 30 TRP HB3 H 1 3.124 0.030 . 2 . . . . 30 TRP HB3 . 10031 1 304 . 1 1 30 30 TRP HD1 H 1 7.596 0.030 . 1 . . . . 30 TRP HD1 . 10031 1 305 . 1 1 30 30 TRP HE1 H 1 11.021 0.030 . 1 . . . . 30 TRP HE1 . 10031 1 306 . 1 1 30 30 TRP HE3 H 1 7.742 0.030 . 1 . . . . 30 TRP HE3 . 10031 1 307 . 1 1 30 30 TRP HZ2 H 1 7.728 0.030 . 1 . . . . 30 TRP HZ2 . 10031 1 308 . 1 1 30 30 TRP HZ3 H 1 7.135 0.030 . 1 . . . . 30 TRP HZ3 . 10031 1 309 . 1 1 30 30 TRP HH2 H 1 7.520 0.030 . 1 . . . . 30 TRP HH2 . 10031 1 310 . 1 1 30 30 TRP C C 13 174.023 0.300 . 1 . . . . 30 TRP C . 10031 1 311 . 1 1 30 30 TRP CA C 13 54.402 0.300 . 1 . . . . 30 TRP CA . 10031 1 312 . 1 1 30 30 TRP CB C 13 33.951 0.300 . 1 . . . . 30 TRP CB . 10031 1 313 . 1 1 30 30 TRP CD1 C 13 127.912 0.300 . 1 . . . . 30 TRP CD1 . 10031 1 314 . 1 1 30 30 TRP CE3 C 13 121.682 0.300 . 1 . . . . 30 TRP CE3 . 10031 1 315 . 1 1 30 30 TRP CZ2 C 13 115.604 0.300 . 1 . . . . 30 TRP CZ2 . 10031 1 316 . 1 1 30 30 TRP CZ3 C 13 122.356 0.300 . 1 . . . . 30 TRP CZ3 . 10031 1 317 . 1 1 30 30 TRP CH2 C 13 125.586 0.300 . 1 . . . . 30 TRP CH2 . 10031 1 318 . 1 1 30 30 TRP N N 15 116.516 0.300 . 1 . . . . 30 TRP N . 10031 1 319 . 1 1 30 30 TRP NE1 N 15 130.523 0.300 . 1 . . . . 30 TRP NE1 . 10031 1 320 . 1 1 31 31 ILE H H 1 5.930 0.030 . 1 . . . . 31 ILE H . 10031 1 321 . 1 1 31 31 ILE HA H 1 4.918 0.030 . 1 . . . . 31 ILE HA . 10031 1 322 . 1 1 31 31 ILE HB H 1 1.052 0.030 . 1 . . . . 31 ILE HB . 10031 1 323 . 1 1 31 31 ILE HG12 H 1 1.316 0.030 . 2 . . . . 31 ILE HG12 . 10031 1 324 . 1 1 31 31 ILE HG13 H 1 0.747 0.030 . 2 . . . . 31 ILE HG13 . 10031 1 325 . 1 1 31 31 ILE HG21 H 1 0.819 0.030 . 1 . . . . 31 ILE HG2 . 10031 1 326 . 1 1 31 31 ILE HG22 H 1 0.819 0.030 . 1 . . . . 31 ILE HG2 . 10031 1 327 . 1 1 31 31 ILE HG23 H 1 0.819 0.030 . 1 . . . . 31 ILE HG2 . 10031 1 328 . 1 1 31 31 ILE HD11 H 1 0.602 0.030 . 1 . . . . 31 ILE HD1 . 10031 1 329 . 1 1 31 31 ILE HD12 H 1 0.602 0.030 . 1 . . . . 31 ILE HD1 . 10031 1 330 . 1 1 31 31 ILE HD13 H 1 0.602 0.030 . 1 . . . . 31 ILE HD1 . 10031 1 331 . 1 1 31 31 ILE C C 13 174.594 0.300 . 1 . . . . 31 ILE C . 10031 1 332 . 1 1 31 31 ILE CA C 13 60.804 0.300 . 1 . . . . 31 ILE CA . 10031 1 333 . 1 1 31 31 ILE CB C 13 39.671 0.300 . 1 . . . . 31 ILE CB . 10031 1 334 . 1 1 31 31 ILE CG1 C 13 28.868 0.300 . 1 . . . . 31 ILE CG1 . 10031 1 335 . 1 1 31 31 ILE CG2 C 13 19.344 0.300 . 1 . . . . 31 ILE CG2 . 10031 1 336 . 1 1 31 31 ILE CD1 C 13 14.087 0.300 . 1 . . . . 31 ILE CD1 . 10031 1 337 . 1 1 31 31 ILE N N 15 122.050 0.300 . 1 . . . . 31 ILE N . 10031 1 338 . 1 1 32 32 VAL H H 1 9.311 0.030 . 1 . . . . 32 VAL H . 10031 1 339 . 1 1 32 32 VAL HA H 1 5.276 0.030 . 1 . . . . 32 VAL HA . 10031 1 340 . 1 1 32 32 VAL HB H 1 1.765 0.030 . 1 . . . . 32 VAL HB . 10031 1 341 . 1 1 32 32 VAL HG11 H 1 0.607 0.030 . 1 . . . . 32 VAL HG1 . 10031 1 342 . 1 1 32 32 VAL HG12 H 1 0.607 0.030 . 1 . . . . 32 VAL HG1 . 10031 1 343 . 1 1 32 32 VAL HG13 H 1 0.607 0.030 . 1 . . . . 32 VAL HG1 . 10031 1 344 . 1 1 32 32 VAL HG21 H 1 0.723 0.030 . 1 . . . . 32 VAL HG2 . 10031 1 345 . 1 1 32 32 VAL HG22 H 1 0.723 0.030 . 1 . . . . 32 VAL HG2 . 10031 1 346 . 1 1 32 32 VAL HG23 H 1 0.723 0.030 . 1 . . . . 32 VAL HG2 . 10031 1 347 . 1 1 32 32 VAL C C 13 173.651 0.300 . 1 . . . . 32 VAL C . 10031 1 348 . 1 1 32 32 VAL CA C 13 57.798 0.300 . 1 . . . . 32 VAL CA . 10031 1 349 . 1 1 32 32 VAL CB C 13 35.552 0.300 . 1 . . . . 32 VAL CB . 10031 1 350 . 1 1 32 32 VAL CG1 C 13 23.378 0.300 . 2 . . . . 32 VAL CG1 . 10031 1 351 . 1 1 32 32 VAL CG2 C 13 20.318 0.300 . 2 . . . . 32 VAL CG2 . 10031 1 352 . 1 1 32 32 VAL N N 15 118.997 0.300 . 1 . . . . 32 VAL N . 10031 1 353 . 1 1 33 33 SER H H 1 9.120 0.030 . 1 . . . . 33 SER H . 10031 1 354 . 1 1 33 33 SER HA H 1 5.532 0.030 . 1 . . . . 33 SER HA . 10031 1 355 . 1 1 33 33 SER HB2 H 1 3.612 0.030 . 2 . . . . 33 SER HB2 . 10031 1 356 . 1 1 33 33 SER HB3 H 1 3.543 0.030 . 2 . . . . 33 SER HB3 . 10031 1 357 . 1 1 33 33 SER C C 13 175.056 0.300 . 1 . . . . 33 SER C . 10031 1 358 . 1 1 33 33 SER CA C 13 55.360 0.300 . 1 . . . . 33 SER CA . 10031 1 359 . 1 1 33 33 SER CB C 13 66.510 0.300 . 1 . . . . 33 SER CB . 10031 1 360 . 1 1 33 33 SER N N 15 113.644 0.300 . 1 . . . . 33 SER N . 10031 1 361 . 1 1 34 34 VAL H H 1 8.393 0.030 . 1 . . . . 34 VAL H . 10031 1 362 . 1 1 34 34 VAL HA H 1 4.003 0.030 . 1 . . . . 34 VAL HA . 10031 1 363 . 1 1 34 34 VAL HB H 1 2.186 0.030 . 1 . . . . 34 VAL HB . 10031 1 364 . 1 1 34 34 VAL HG11 H 1 0.662 0.030 . 1 . . . . 34 VAL HG1 . 10031 1 365 . 1 1 34 34 VAL HG12 H 1 0.662 0.030 . 1 . . . . 34 VAL HG1 . 10031 1 366 . 1 1 34 34 VAL HG13 H 1 0.662 0.030 . 1 . . . . 34 VAL HG1 . 10031 1 367 . 1 1 34 34 VAL HG21 H 1 0.807 0.030 . 1 . . . . 34 VAL HG2 . 10031 1 368 . 1 1 34 34 VAL HG22 H 1 0.807 0.030 . 1 . . . . 34 VAL HG2 . 10031 1 369 . 1 1 34 34 VAL HG23 H 1 0.807 0.030 . 1 . . . . 34 VAL HG2 . 10031 1 370 . 1 1 34 34 VAL C C 13 176.127 0.300 . 1 . . . . 34 VAL C . 10031 1 371 . 1 1 34 34 VAL CA C 13 62.993 0.300 . 1 . . . . 34 VAL CA . 10031 1 372 . 1 1 34 34 VAL CB C 13 32.056 0.300 . 1 . . . . 34 VAL CB . 10031 1 373 . 1 1 34 34 VAL CG1 C 13 21.985 0.300 . 2 . . . . 34 VAL CG1 . 10031 1 374 . 1 1 34 34 VAL CG2 C 13 21.999 0.300 . 2 . . . . 34 VAL CG2 . 10031 1 375 . 1 1 34 34 VAL N N 15 121.640 0.300 . 1 . . . . 34 VAL N . 10031 1 376 . 1 1 35 35 ILE H H 1 9.587 0.030 . 1 . . . . 35 ILE H . 10031 1 377 . 1 1 35 35 ILE HA H 1 4.080 0.030 . 1 . . . . 35 ILE HA . 10031 1 378 . 1 1 35 35 ILE HB H 1 1.524 0.030 . 1 . . . . 35 ILE HB . 10031 1 379 . 1 1 35 35 ILE HG12 H 1 1.576 0.030 . 2 . . . . 35 ILE HG12 . 10031 1 380 . 1 1 35 35 ILE HG13 H 1 1.009 0.030 . 2 . . . . 35 ILE HG13 . 10031 1 381 . 1 1 35 35 ILE HG21 H 1 0.876 0.030 . 1 . . . . 35 ILE HG2 . 10031 1 382 . 1 1 35 35 ILE HG22 H 1 0.876 0.030 . 1 . . . . 35 ILE HG2 . 10031 1 383 . 1 1 35 35 ILE HG23 H 1 0.876 0.030 . 1 . . . . 35 ILE HG2 . 10031 1 384 . 1 1 35 35 ILE HD11 H 1 0.558 0.030 . 1 . . . . 35 ILE HD1 . 10031 1 385 . 1 1 35 35 ILE HD12 H 1 0.558 0.030 . 1 . . . . 35 ILE HD1 . 10031 1 386 . 1 1 35 35 ILE HD13 H 1 0.558 0.030 . 1 . . . . 35 ILE HD1 . 10031 1 387 . 1 1 35 35 ILE C C 13 176.024 0.300 . 1 . . . . 35 ILE C . 10031 1 388 . 1 1 35 35 ILE CA C 13 59.966 0.300 . 1 . . . . 35 ILE CA . 10031 1 389 . 1 1 35 35 ILE CB C 13 36.808 0.300 . 1 . . . . 35 ILE CB . 10031 1 390 . 1 1 35 35 ILE CG1 C 13 27.309 0.300 . 1 . . . . 35 ILE CG1 . 10031 1 391 . 1 1 35 35 ILE CG2 C 13 17.121 0.300 . 1 . . . . 35 ILE CG2 . 10031 1 392 . 1 1 35 35 ILE CD1 C 13 7.916 0.300 . 1 . . . . 35 ILE CD1 . 10031 1 393 . 1 1 35 35 ILE N N 15 130.897 0.300 . 1 . . . . 35 ILE N . 10031 1 394 . 1 1 36 36 GLU H H 1 7.313 0.030 . 1 . . . . 36 GLU H . 10031 1 395 . 1 1 36 36 GLU HA H 1 4.467 0.030 . 1 . . . . 36 GLU HA . 10031 1 396 . 1 1 36 36 GLU HB2 H 1 2.080 0.030 . 2 . . . . 36 GLU HB2 . 10031 1 397 . 1 1 36 36 GLU HB3 H 1 1.758 0.030 . 2 . . . . 36 GLU HB3 . 10031 1 398 . 1 1 36 36 GLU HG2 H 1 2.325 0.030 . 2 . . . . 36 GLU HG2 . 10031 1 399 . 1 1 36 36 GLU HG3 H 1 2.091 0.030 . 2 . . . . 36 GLU HG3 . 10031 1 400 . 1 1 36 36 GLU C C 13 173.793 0.300 . 1 . . . . 36 GLU C . 10031 1 401 . 1 1 36 36 GLU CA C 13 55.387 0.300 . 1 . . . . 36 GLU CA . 10031 1 402 . 1 1 36 36 GLU CB C 13 35.594 0.300 . 1 . . . . 36 GLU CB . 10031 1 403 . 1 1 36 36 GLU CG C 13 37.304 0.300 . 1 . . . . 36 GLU CG . 10031 1 404 . 1 1 36 36 GLU N N 15 114.542 0.300 . 1 . . . . 36 GLU N . 10031 1 405 . 1 1 37 37 ASN H H 1 8.823 0.030 . 1 . . . . 37 ASN H . 10031 1 406 . 1 1 37 37 ASN HA H 1 5.033 0.030 . 1 . . . . 37 ASN HA . 10031 1 407 . 1 1 37 37 ASN HB2 H 1 2.903 0.030 . 2 . . . . 37 ASN HB2 . 10031 1 408 . 1 1 37 37 ASN HB3 H 1 2.161 0.030 . 2 . . . . 37 ASN HB3 . 10031 1 409 . 1 1 37 37 ASN HD21 H 1 7.470 0.030 . 2 . . . . 37 ASN HD21 . 10031 1 410 . 1 1 37 37 ASN HD22 H 1 6.101 0.030 . 2 . . . . 37 ASN HD22 . 10031 1 411 . 1 1 37 37 ASN C C 13 174.676 0.300 . 1 . . . . 37 ASN C . 10031 1 412 . 1 1 37 37 ASN CA C 13 52.108 0.300 . 1 . . . . 37 ASN CA . 10031 1 413 . 1 1 37 37 ASN CB C 13 39.158 0.300 . 1 . . . . 37 ASN CB . 10031 1 414 . 1 1 37 37 ASN N N 15 120.554 0.300 . 1 . . . . 37 ASN N . 10031 1 415 . 1 1 37 37 ASN ND2 N 15 107.960 0.300 . 1 . . . . 37 ASN ND2 . 10031 1 416 . 1 1 38 38 VAL H H 1 9.136 0.030 . 1 . . . . 38 VAL H . 10031 1 417 . 1 1 38 38 VAL HA H 1 4.398 0.030 . 1 . . . . 38 VAL HA . 10031 1 418 . 1 1 38 38 VAL HB H 1 2.310 0.030 . 1 . . . . 38 VAL HB . 10031 1 419 . 1 1 38 38 VAL HG11 H 1 0.985 0.030 . 1 . . . . 38 VAL HG1 . 10031 1 420 . 1 1 38 38 VAL HG12 H 1 0.985 0.030 . 1 . . . . 38 VAL HG1 . 10031 1 421 . 1 1 38 38 VAL HG13 H 1 0.985 0.030 . 1 . . . . 38 VAL HG1 . 10031 1 422 . 1 1 38 38 VAL HG21 H 1 1.137 0.030 . 1 . . . . 38 VAL HG2 . 10031 1 423 . 1 1 38 38 VAL HG22 H 1 1.137 0.030 . 1 . . . . 38 VAL HG2 . 10031 1 424 . 1 1 38 38 VAL HG23 H 1 1.137 0.030 . 1 . . . . 38 VAL HG2 . 10031 1 425 . 1 1 38 38 VAL C C 13 177.776 0.300 . 1 . . . . 38 VAL C . 10031 1 426 . 1 1 38 38 VAL CA C 13 60.875 0.300 . 1 . . . . 38 VAL CA . 10031 1 427 . 1 1 38 38 VAL CB C 13 31.805 0.300 . 1 . . . . 38 VAL CB . 10031 1 428 . 1 1 38 38 VAL CG1 C 13 21.325 0.300 . 2 . . . . 38 VAL CG1 . 10031 1 429 . 1 1 38 38 VAL CG2 C 13 20.743 0.300 . 2 . . . . 38 VAL CG2 . 10031 1 430 . 1 1 38 38 VAL N N 15 126.386 0.300 . 1 . . . . 38 VAL N . 10031 1 431 . 1 1 39 39 GLY H H 1 9.092 0.030 . 1 . . . . 39 GLY H . 10031 1 432 . 1 1 39 39 GLY HA2 H 1 3.981 0.030 . 2 . . . . 39 GLY HA2 . 10031 1 433 . 1 1 39 39 GLY HA3 H 1 3.890 0.030 . 2 . . . . 39 GLY HA3 . 10031 1 434 . 1 1 39 39 GLY C C 13 174.643 0.300 . 1 . . . . 39 GLY C . 10031 1 435 . 1 1 39 39 GLY CA C 13 47.337 0.300 . 1 . . . . 39 GLY CA . 10031 1 436 . 1 1 39 39 GLY N N 15 117.303 0.300 . 1 . . . . 39 GLY N . 10031 1 437 . 1 1 40 40 GLY H H 1 8.193 0.030 . 1 . . . . 40 GLY H . 10031 1 438 . 1 1 40 40 GLY HA2 H 1 4.354 0.030 . 2 . . . . 40 GLY HA2 . 10031 1 439 . 1 1 40 40 GLY HA3 H 1 3.072 0.030 . 2 . . . . 40 GLY HA3 . 10031 1 440 . 1 1 40 40 GLY C C 13 172.427 0.300 . 1 . . . . 40 GLY C . 10031 1 441 . 1 1 40 40 GLY CA C 13 45.209 0.300 . 1 . . . . 40 GLY CA . 10031 1 442 . 1 1 40 40 GLY N N 15 106.050 0.300 . 1 . . . . 40 GLY N . 10031 1 443 . 1 1 41 41 ARG H H 1 7.966 0.030 . 1 . . . . 41 ARG H . 10031 1 444 . 1 1 41 41 ARG HA H 1 4.570 0.030 . 1 . . . . 41 ARG HA . 10031 1 445 . 1 1 41 41 ARG HB2 H 1 2.060 0.030 . 2 . . . . 41 ARG HB2 . 10031 1 446 . 1 1 41 41 ARG HB3 H 1 2.180 0.030 . 2 . . . . 41 ARG HB3 . 10031 1 447 . 1 1 41 41 ARG HG2 H 1 1.722 0.030 . 1 . . . . 41 ARG HG2 . 10031 1 448 . 1 1 41 41 ARG HG3 H 1 1.722 0.030 . 1 . . . . 41 ARG HG3 . 10031 1 449 . 1 1 41 41 ARG HD2 H 1 3.152 0.030 . 1 . . . . 41 ARG HD2 . 10031 1 450 . 1 1 41 41 ARG HD3 H 1 3.152 0.030 . 1 . . . . 41 ARG HD3 . 10031 1 451 . 1 1 41 41 ARG C C 13 174.365 0.300 . 1 . . . . 41 ARG C . 10031 1 452 . 1 1 41 41 ARG CA C 13 56.982 0.300 . 1 . . . . 41 ARG CA . 10031 1 453 . 1 1 41 41 ARG CB C 13 29.785 0.300 . 1 . . . . 41 ARG CB . 10031 1 454 . 1 1 41 41 ARG CG C 13 28.400 0.300 . 1 . . . . 41 ARG CG . 10031 1 455 . 1 1 41 41 ARG CD C 13 43.321 0.300 . 1 . . . . 41 ARG CD . 10031 1 456 . 1 1 41 41 ARG N N 15 121.730 0.300 . 1 . . . . 41 ARG N . 10031 1 457 . 1 1 42 42 LEU H H 1 9.298 0.030 . 1 . . . . 42 LEU H . 10031 1 458 . 1 1 42 42 LEU HA H 1 5.100 0.030 . 1 . . . . 42 LEU HA . 10031 1 459 . 1 1 42 42 LEU HB2 H 1 2.032 0.030 . 2 . . . . 42 LEU HB2 . 10031 1 460 . 1 1 42 42 LEU HB3 H 1 1.086 0.030 . 2 . . . . 42 LEU HB3 . 10031 1 461 . 1 1 42 42 LEU HG H 1 1.892 0.030 . 1 . . . . 42 LEU HG . 10031 1 462 . 1 1 42 42 LEU HD11 H 1 0.633 0.030 . 1 . . . . 42 LEU HD1 . 10031 1 463 . 1 1 42 42 LEU HD12 H 1 0.633 0.030 . 1 . . . . 42 LEU HD1 . 10031 1 464 . 1 1 42 42 LEU HD13 H 1 0.633 0.030 . 1 . . . . 42 LEU HD1 . 10031 1 465 . 1 1 42 42 LEU HD21 H 1 0.799 0.030 . 1 . . . . 42 LEU HD2 . 10031 1 466 . 1 1 42 42 LEU HD22 H 1 0.799 0.030 . 1 . . . . 42 LEU HD2 . 10031 1 467 . 1 1 42 42 LEU HD23 H 1 0.799 0.030 . 1 . . . . 42 LEU HD2 . 10031 1 468 . 1 1 42 42 LEU C C 13 174.829 0.300 . 1 . . . . 42 LEU C . 10031 1 469 . 1 1 42 42 LEU CA C 13 53.027 0.300 . 1 . . . . 42 LEU CA . 10031 1 470 . 1 1 42 42 LEU CB C 13 42.991 0.300 . 1 . . . . 42 LEU CB . 10031 1 471 . 1 1 42 42 LEU CG C 13 26.669 0.300 . 1 . . . . 42 LEU CG . 10031 1 472 . 1 1 42 42 LEU CD1 C 13 22.223 0.300 . 2 . . . . 42 LEU CD1 . 10031 1 473 . 1 1 42 42 LEU CD2 C 13 25.725 0.300 . 2 . . . . 42 LEU CD2 . 10031 1 474 . 1 1 42 42 LEU N N 15 126.797 0.300 . 1 . . . . 42 LEU N . 10031 1 475 . 1 1 43 43 ARG H H 1 8.195 0.030 . 1 . . . . 43 ARG H . 10031 1 476 . 1 1 43 43 ARG HA H 1 3.936 0.030 . 1 . . . . 43 ARG HA . 10031 1 477 . 1 1 43 43 ARG HB2 H 1 1.109 0.030 . 2 . . . . 43 ARG HB2 . 10031 1 478 . 1 1 43 43 ARG HB3 H 1 -0.179 0.030 . 2 . . . . 43 ARG HB3 . 10031 1 479 . 1 1 43 43 ARG HG2 H 1 0.632 0.030 . 2 . . . . 43 ARG HG2 . 10031 1 480 . 1 1 43 43 ARG HG3 H 1 0.130 0.030 . 2 . . . . 43 ARG HG3 . 10031 1 481 . 1 1 43 43 ARG HD2 H 1 3.036 0.030 . 2 . . . . 43 ARG HD2 . 10031 1 482 . 1 1 43 43 ARG HD3 H 1 2.564 0.030 . 2 . . . . 43 ARG HD3 . 10031 1 483 . 1 1 43 43 ARG HE H 1 8.247 0.030 . 1 . . . . 43 ARG HE . 10031 1 484 . 1 1 43 43 ARG C C 13 174.845 0.300 . 1 . . . . 43 ARG C . 10031 1 485 . 1 1 43 43 ARG CA C 13 54.776 0.300 . 1 . . . . 43 ARG CA . 10031 1 486 . 1 1 43 43 ARG CB C 13 31.088 0.300 . 1 . . . . 43 ARG CB . 10031 1 487 . 1 1 43 43 ARG CG C 13 27.097 0.300 . 1 . . . . 43 ARG CG . 10031 1 488 . 1 1 43 43 ARG CD C 13 43.997 0.300 . 1 . . . . 43 ARG CD . 10031 1 489 . 1 1 43 43 ARG N N 15 125.171 0.300 . 1 . . . . 43 ARG N . 10031 1 490 . 1 1 43 43 ARG NE N 15 85.101 0.300 . 1 . . . . 43 ARG NE . 10031 1 491 . 1 1 44 44 LEU H H 1 9.180 0.030 . 1 . . . . 44 LEU H . 10031 1 492 . 1 1 44 44 LEU HA H 1 5.149 0.030 . 1 . . . . 44 LEU HA . 10031 1 493 . 1 1 44 44 LEU HB2 H 1 1.467 0.030 . 2 . . . . 44 LEU HB2 . 10031 1 494 . 1 1 44 44 LEU HB3 H 1 0.893 0.030 . 2 . . . . 44 LEU HB3 . 10031 1 495 . 1 1 44 44 LEU HG H 1 1.534 0.030 . 1 . . . . 44 LEU HG . 10031 1 496 . 1 1 44 44 LEU HD11 H 1 0.796 0.030 . 1 . . . . 44 LEU HD1 . 10031 1 497 . 1 1 44 44 LEU HD12 H 1 0.796 0.030 . 1 . . . . 44 LEU HD1 . 10031 1 498 . 1 1 44 44 LEU HD13 H 1 0.796 0.030 . 1 . . . . 44 LEU HD1 . 10031 1 499 . 1 1 44 44 LEU HD21 H 1 0.671 0.030 . 1 . . . . 44 LEU HD2 . 10031 1 500 . 1 1 44 44 LEU HD22 H 1 0.671 0.030 . 1 . . . . 44 LEU HD2 . 10031 1 501 . 1 1 44 44 LEU HD23 H 1 0.671 0.030 . 1 . . . . 44 LEU HD2 . 10031 1 502 . 1 1 44 44 LEU C C 13 175.150 0.300 . 1 . . . . 44 LEU C . 10031 1 503 . 1 1 44 44 LEU CA C 13 53.371 0.300 . 1 . . . . 44 LEU CA . 10031 1 504 . 1 1 44 44 LEU CB C 13 44.505 0.300 . 1 . . . . 44 LEU CB . 10031 1 505 . 1 1 44 44 LEU CG C 13 25.519 0.300 . 1 . . . . 44 LEU CG . 10031 1 506 . 1 1 44 44 LEU CD1 C 13 27.273 0.300 . 2 . . . . 44 LEU CD1 . 10031 1 507 . 1 1 44 44 LEU CD2 C 13 24.247 0.300 . 2 . . . . 44 LEU CD2 . 10031 1 508 . 1 1 44 44 LEU N N 15 128.302 0.300 . 1 . . . . 44 LEU N . 10031 1 509 . 1 1 45 45 ARG H H 1 8.648 0.030 . 1 . . . . 45 ARG H . 10031 1 510 . 1 1 45 45 ARG HA H 1 4.884 0.030 . 1 . . . . 45 ARG HA . 10031 1 511 . 1 1 45 45 ARG HB2 H 1 1.645 0.030 . 1 . . . . 45 ARG HB2 . 10031 1 512 . 1 1 45 45 ARG HB3 H 1 1.645 0.030 . 1 . . . . 45 ARG HB3 . 10031 1 513 . 1 1 45 45 ARG HG2 H 1 1.651 0.030 . 2 . . . . 45 ARG HG2 . 10031 1 514 . 1 1 45 45 ARG HG3 H 1 1.840 0.030 . 2 . . . . 45 ARG HG3 . 10031 1 515 . 1 1 45 45 ARG HD2 H 1 2.834 0.030 . 2 . . . . 45 ARG HD2 . 10031 1 516 . 1 1 45 45 ARG HD3 H 1 3.808 0.030 . 2 . . . . 45 ARG HD3 . 10031 1 517 . 1 1 45 45 ARG HE H 1 6.493 0.030 . 1 . . . . 45 ARG HE . 10031 1 518 . 1 1 45 45 ARG C C 13 176.610 0.300 . 1 . . . . 45 ARG C . 10031 1 519 . 1 1 45 45 ARG CA C 13 54.148 0.300 . 1 . . . . 45 ARG CA . 10031 1 520 . 1 1 45 45 ARG CB C 13 34.536 0.300 . 1 . . . . 45 ARG CB . 10031 1 521 . 1 1 45 45 ARG CG C 13 25.732 0.300 . 1 . . . . 45 ARG CG . 10031 1 522 . 1 1 45 45 ARG CD C 13 43.531 0.300 . 1 . . . . 45 ARG CD . 10031 1 523 . 1 1 45 45 ARG N N 15 124.205 0.300 . 1 . . . . 45 ARG N . 10031 1 524 . 1 1 45 45 ARG NE N 15 69.813 0.300 . 1 . . . . 45 ARG NE . 10031 1 525 . 1 1 46 46 TYR H H 1 9.151 0.030 . 1 . . . . 46 TYR H . 10031 1 526 . 1 1 46 46 TYR HA H 1 4.891 0.030 . 1 . . . . 46 TYR HA . 10031 1 527 . 1 1 46 46 TYR HB2 H 1 3.224 0.030 . 2 . . . . 46 TYR HB2 . 10031 1 528 . 1 1 46 46 TYR HB3 H 1 2.930 0.030 . 2 . . . . 46 TYR HB3 . 10031 1 529 . 1 1 46 46 TYR HD1 H 1 7.349 0.030 . 1 . . . . 46 TYR HD1 . 10031 1 530 . 1 1 46 46 TYR HD2 H 1 7.349 0.030 . 1 . . . . 46 TYR HD2 . 10031 1 531 . 1 1 46 46 TYR HE1 H 1 6.942 0.030 . 1 . . . . 46 TYR HE1 . 10031 1 532 . 1 1 46 46 TYR HE2 H 1 6.942 0.030 . 1 . . . . 46 TYR HE2 . 10031 1 533 . 1 1 46 46 TYR C C 13 177.093 0.300 . 1 . . . . 46 TYR C . 10031 1 534 . 1 1 46 46 TYR CA C 13 59.417 0.300 . 1 . . . . 46 TYR CA . 10031 1 535 . 1 1 46 46 TYR CB C 13 38.211 0.300 . 1 . . . . 46 TYR CB . 10031 1 536 . 1 1 46 46 TYR CD1 C 13 133.342 0.300 . 1 . . . . 46 TYR CD1 . 10031 1 537 . 1 1 46 46 TYR CD2 C 13 133.342 0.300 . 1 . . . . 46 TYR CD2 . 10031 1 538 . 1 1 46 46 TYR CE1 C 13 118.197 0.300 . 1 . . . . 46 TYR CE1 . 10031 1 539 . 1 1 46 46 TYR CE2 C 13 118.197 0.300 . 1 . . . . 46 TYR CE2 . 10031 1 540 . 1 1 46 46 TYR N N 15 127.413 0.300 . 1 . . . . 46 TYR N . 10031 1 541 . 1 1 47 47 VAL H H 1 9.053 0.030 . 1 . . . . 47 VAL H . 10031 1 542 . 1 1 47 47 VAL HA H 1 4.409 0.030 . 1 . . . . 47 VAL HA . 10031 1 543 . 1 1 47 47 VAL HB H 1 2.096 0.030 . 1 . . . . 47 VAL HB . 10031 1 544 . 1 1 47 47 VAL HG11 H 1 0.974 0.030 . 1 . . . . 47 VAL HG1 . 10031 1 545 . 1 1 47 47 VAL HG12 H 1 0.974 0.030 . 1 . . . . 47 VAL HG1 . 10031 1 546 . 1 1 47 47 VAL HG13 H 1 0.974 0.030 . 1 . . . . 47 VAL HG1 . 10031 1 547 . 1 1 47 47 VAL HG21 H 1 0.867 0.030 . 1 . . . . 47 VAL HG2 . 10031 1 548 . 1 1 47 47 VAL HG22 H 1 0.867 0.030 . 1 . . . . 47 VAL HG2 . 10031 1 549 . 1 1 47 47 VAL HG23 H 1 0.867 0.030 . 1 . . . . 47 VAL HG2 . 10031 1 550 . 1 1 47 47 VAL C C 13 177.196 0.300 . 1 . . . . 47 VAL C . 10031 1 551 . 1 1 47 47 VAL CA C 13 63.953 0.300 . 1 . . . . 47 VAL CA . 10031 1 552 . 1 1 47 47 VAL CB C 13 31.465 0.300 . 1 . . . . 47 VAL CB . 10031 1 553 . 1 1 47 47 VAL CG1 C 13 22.216 0.300 . 2 . . . . 47 VAL CG1 . 10031 1 554 . 1 1 47 47 VAL CG2 C 13 20.372 0.300 . 2 . . . . 47 VAL CG2 . 10031 1 555 . 1 1 47 47 VAL N N 15 120.877 0.300 . 1 . . . . 47 VAL N . 10031 1 556 . 1 1 48 48 GLY H H 1 9.408 0.030 . 1 . . . . 48 GLY H . 10031 1 557 . 1 1 48 48 GLY HA2 H 1 4.865 0.030 . 2 . . . . 48 GLY HA2 . 10031 1 558 . 1 1 48 48 GLY HA3 H 1 3.805 0.030 . 2 . . . . 48 GLY HA3 . 10031 1 559 . 1 1 48 48 GLY C C 13 174.683 0.300 . 1 . . . . 48 GLY C . 10031 1 560 . 1 1 48 48 GLY CA C 13 45.558 0.300 . 1 . . . . 48 GLY CA . 10031 1 561 . 1 1 48 48 GLY N N 15 113.245 0.300 . 1 . . . . 48 GLY N . 10031 1 562 . 1 1 49 49 LEU H H 1 7.944 0.030 . 1 . . . . 49 LEU H . 10031 1 563 . 1 1 49 49 LEU HA H 1 4.755 0.030 . 1 . . . . 49 LEU HA . 10031 1 564 . 1 1 49 49 LEU HB2 H 1 2.017 0.030 . 2 . . . . 49 LEU HB2 . 10031 1 565 . 1 1 49 49 LEU HB3 H 1 2.116 0.030 . 2 . . . . 49 LEU HB3 . 10031 1 566 . 1 1 49 49 LEU HG H 1 1.723 0.030 . 1 . . . . 49 LEU HG . 10031 1 567 . 1 1 49 49 LEU HD11 H 1 1.130 0.030 . 1 . . . . 49 LEU HD1 . 10031 1 568 . 1 1 49 49 LEU HD12 H 1 1.130 0.030 . 1 . . . . 49 LEU HD1 . 10031 1 569 . 1 1 49 49 LEU HD13 H 1 1.130 0.030 . 1 . . . . 49 LEU HD1 . 10031 1 570 . 1 1 49 49 LEU HD21 H 1 0.913 0.030 . 1 . . . . 49 LEU HD2 . 10031 1 571 . 1 1 49 49 LEU HD22 H 1 0.913 0.030 . 1 . . . . 49 LEU HD2 . 10031 1 572 . 1 1 49 49 LEU HD23 H 1 0.913 0.030 . 1 . . . . 49 LEU HD2 . 10031 1 573 . 1 1 49 49 LEU C C 13 176.379 0.300 . 1 . . . . 49 LEU C . 10031 1 574 . 1 1 49 49 LEU CA C 13 53.597 0.300 . 1 . . . . 49 LEU CA . 10031 1 575 . 1 1 49 49 LEU CB C 13 40.603 0.300 . 1 . . . . 49 LEU CB . 10031 1 576 . 1 1 49 49 LEU CG C 13 27.509 0.300 . 1 . . . . 49 LEU CG . 10031 1 577 . 1 1 49 49 LEU CD1 C 13 27.486 0.300 . 2 . . . . 49 LEU CD1 . 10031 1 578 . 1 1 49 49 LEU CD2 C 13 23.901 0.300 . 2 . . . . 49 LEU CD2 . 10031 1 579 . 1 1 49 49 LEU N N 15 120.922 0.300 . 1 . . . . 49 LEU N . 10031 1 580 . 1 1 50 50 GLU H H 1 8.739 0.030 . 1 . . . . 50 GLU H . 10031 1 581 . 1 1 50 50 GLU HA H 1 3.769 0.030 . 1 . . . . 50 GLU HA . 10031 1 582 . 1 1 50 50 GLU HB2 H 1 2.006 0.030 . 2 . . . . 50 GLU HB2 . 10031 1 583 . 1 1 50 50 GLU HB3 H 1 2.110 0.030 . 2 . . . . 50 GLU HB3 . 10031 1 584 . 1 1 50 50 GLU HG2 H 1 2.337 0.030 . 2 . . . . 50 GLU HG2 . 10031 1 585 . 1 1 50 50 GLU HG3 H 1 2.517 0.030 . 2 . . . . 50 GLU HG3 . 10031 1 586 . 1 1 50 50 GLU C C 13 176.820 0.300 . 1 . . . . 50 GLU C . 10031 1 587 . 1 1 50 50 GLU CA C 13 60.670 0.300 . 1 . . . . 50 GLU CA . 10031 1 588 . 1 1 50 50 GLU CB C 13 28.930 0.300 . 1 . . . . 50 GLU CB . 10031 1 589 . 1 1 50 50 GLU CG C 13 37.720 0.300 . 1 . . . . 50 GLU CG . 10031 1 590 . 1 1 50 50 GLU N N 15 116.752 0.300 . 1 . . . . 50 GLU N . 10031 1 591 . 1 1 51 51 ASP H H 1 8.457 0.030 . 1 . . . . 51 ASP H . 10031 1 592 . 1 1 51 51 ASP HA H 1 4.597 0.030 . 1 . . . . 51 ASP HA . 10031 1 593 . 1 1 51 51 ASP HB2 H 1 2.772 0.030 . 1 . . . . 51 ASP HB2 . 10031 1 594 . 1 1 51 51 ASP HB3 H 1 2.772 0.030 . 1 . . . . 51 ASP HB3 . 10031 1 595 . 1 1 51 51 ASP C C 13 175.465 0.300 . 1 . . . . 51 ASP C . 10031 1 596 . 1 1 51 51 ASP CA C 13 53.999 0.300 . 1 . . . . 51 ASP CA . 10031 1 597 . 1 1 51 51 ASP CB C 13 40.683 0.300 . 1 . . . . 51 ASP CB . 10031 1 598 . 1 1 51 51 ASP N N 15 115.854 0.300 . 1 . . . . 51 ASP N . 10031 1 599 . 1 1 52 52 THR H H 1 8.112 0.030 . 1 . . . . 52 THR H . 10031 1 600 . 1 1 52 52 THR HA H 1 4.727 0.030 . 1 . . . . 52 THR HA . 10031 1 601 . 1 1 52 52 THR HB H 1 4.286 0.030 . 1 . . . . 52 THR HB . 10031 1 602 . 1 1 52 52 THR HG21 H 1 1.437 0.030 . 1 . . . . 52 THR HG2 . 10031 1 603 . 1 1 52 52 THR HG22 H 1 1.437 0.030 . 1 . . . . 52 THR HG2 . 10031 1 604 . 1 1 52 52 THR HG23 H 1 1.437 0.030 . 1 . . . . 52 THR HG2 . 10031 1 605 . 1 1 52 52 THR C C 13 172.942 0.300 . 1 . . . . 52 THR C . 10031 1 606 . 1 1 52 52 THR CA C 13 60.878 0.300 . 1 . . . . 52 THR CA . 10031 1 607 . 1 1 52 52 THR CB C 13 70.114 0.300 . 1 . . . . 52 THR CB . 10031 1 608 . 1 1 52 52 THR CG2 C 13 20.839 0.300 . 1 . . . . 52 THR CG2 . 10031 1 609 . 1 1 52 52 THR N N 15 116.211 0.300 . 1 . . . . 52 THR N . 10031 1 610 . 1 1 53 53 GLU H H 1 8.725 0.030 . 1 . . . . 53 GLU H . 10031 1 611 . 1 1 53 53 GLU HA H 1 4.693 0.030 . 1 . . . . 53 GLU HA . 10031 1 612 . 1 1 53 53 GLU HB2 H 1 1.995 0.030 . 1 . . . . 53 GLU HB2 . 10031 1 613 . 1 1 53 53 GLU HB3 H 1 1.995 0.030 . 1 . . . . 53 GLU HB3 . 10031 1 614 . 1 1 53 53 GLU HG2 H 1 2.229 0.030 . 1 . . . . 53 GLU HG2 . 10031 1 615 . 1 1 53 53 GLU HG3 H 1 2.229 0.030 . 1 . . . . 53 GLU HG3 . 10031 1 616 . 1 1 53 53 GLU C C 13 179.187 0.300 . 1 . . . . 53 GLU C . 10031 1 617 . 1 1 53 53 GLU CA C 13 55.924 0.300 . 1 . . . . 53 GLU CA . 10031 1 618 . 1 1 53 53 GLU CB C 13 31.016 0.300 . 1 . . . . 53 GLU CB . 10031 1 619 . 1 1 53 53 GLU CG C 13 35.718 0.300 . 1 . . . . 53 GLU CG . 10031 1 620 . 1 1 53 53 GLU N N 15 123.895 0.300 . 1 . . . . 53 GLU N . 10031 1 621 . 1 1 54 54 SER H H 1 8.094 0.030 . 1 . . . . 54 SER H . 10031 1 622 . 1 1 54 54 SER HA H 1 3.959 0.030 . 1 . . . . 54 SER HA . 10031 1 623 . 1 1 54 54 SER HB2 H 1 3.567 0.030 . 2 . . . . 54 SER HB2 . 10031 1 624 . 1 1 54 54 SER HB3 H 1 3.395 0.030 . 2 . . . . 54 SER HB3 . 10031 1 625 . 1 1 54 54 SER C C 13 173.494 0.300 . 1 . . . . 54 SER C . 10031 1 626 . 1 1 54 54 SER CA C 13 61.326 0.300 . 1 . . . . 54 SER CA . 10031 1 627 . 1 1 54 54 SER CB C 13 63.167 0.300 . 1 . . . . 54 SER CB . 10031 1 628 . 1 1 54 54 SER N N 15 115.194 0.300 . 1 . . . . 54 SER N . 10031 1 629 . 1 1 55 55 TYR H H 1 8.326 0.030 . 1 . . . . 55 TYR H . 10031 1 630 . 1 1 55 55 TYR HA H 1 4.866 0.030 . 1 . . . . 55 TYR HA . 10031 1 631 . 1 1 55 55 TYR HB2 H 1 3.601 0.030 . 2 . . . . 55 TYR HB2 . 10031 1 632 . 1 1 55 55 TYR HB3 H 1 2.870 0.030 . 2 . . . . 55 TYR HB3 . 10031 1 633 . 1 1 55 55 TYR HD1 H 1 7.057 0.030 . 1 . . . . 55 TYR HD1 . 10031 1 634 . 1 1 55 55 TYR HD2 H 1 7.057 0.030 . 1 . . . . 55 TYR HD2 . 10031 1 635 . 1 1 55 55 TYR HE1 H 1 6.799 0.030 . 1 . . . . 55 TYR HE1 . 10031 1 636 . 1 1 55 55 TYR HE2 H 1 6.799 0.030 . 1 . . . . 55 TYR HE2 . 10031 1 637 . 1 1 55 55 TYR C C 13 176.932 0.300 . 1 . . . . 55 TYR C . 10031 1 638 . 1 1 55 55 TYR CA C 13 56.808 0.300 . 1 . . . . 55 TYR CA . 10031 1 639 . 1 1 55 55 TYR CB C 13 38.363 0.300 . 1 . . . . 55 TYR CB . 10031 1 640 . 1 1 55 55 TYR CD1 C 13 133.646 0.300 . 1 . . . . 55 TYR CD1 . 10031 1 641 . 1 1 55 55 TYR CD2 C 13 133.646 0.300 . 1 . . . . 55 TYR CD2 . 10031 1 642 . 1 1 55 55 TYR CE1 C 13 117.888 0.300 . 1 . . . . 55 TYR CE1 . 10031 1 643 . 1 1 55 55 TYR CE2 C 13 117.888 0.300 . 1 . . . . 55 TYR CE2 . 10031 1 644 . 1 1 55 55 TYR N N 15 118.247 0.300 . 1 . . . . 55 TYR N . 10031 1 645 . 1 1 56 56 ASP H H 1 7.355 0.030 . 1 . . . . 56 ASP H . 10031 1 646 . 1 1 56 56 ASP HA H 1 4.781 0.030 . 1 . . . . 56 ASP HA . 10031 1 647 . 1 1 56 56 ASP HB2 H 1 2.627 0.030 . 2 . . . . 56 ASP HB2 . 10031 1 648 . 1 1 56 56 ASP HB3 H 1 1.991 0.030 . 2 . . . . 56 ASP HB3 . 10031 1 649 . 1 1 56 56 ASP C C 13 175.515 0.300 . 1 . . . . 56 ASP C . 10031 1 650 . 1 1 56 56 ASP CA C 13 55.590 0.300 . 1 . . . . 56 ASP CA . 10031 1 651 . 1 1 56 56 ASP CB C 13 40.076 0.300 . 1 . . . . 56 ASP CB . 10031 1 652 . 1 1 56 56 ASP N N 15 125.605 0.300 . 1 . . . . 56 ASP N . 10031 1 653 . 1 1 57 57 GLN H H 1 8.441 0.030 . 1 . . . . 57 GLN H . 10031 1 654 . 1 1 57 57 GLN HA H 1 4.818 0.030 . 1 . . . . 57 GLN HA . 10031 1 655 . 1 1 57 57 GLN HB2 H 1 2.230 0.030 . 2 . . . . 57 GLN HB2 . 10031 1 656 . 1 1 57 57 GLN HB3 H 1 1.935 0.030 . 2 . . . . 57 GLN HB3 . 10031 1 657 . 1 1 57 57 GLN HG2 H 1 2.047 0.030 . 2 . . . . 57 GLN HG2 . 10031 1 658 . 1 1 57 57 GLN HG3 H 1 1.767 0.030 . 2 . . . . 57 GLN HG3 . 10031 1 659 . 1 1 57 57 GLN HE21 H 1 7.523 0.030 . 2 . . . . 57 GLN HE21 . 10031 1 660 . 1 1 57 57 GLN HE22 H 1 6.598 0.030 . 2 . . . . 57 GLN HE22 . 10031 1 661 . 1 1 57 57 GLN C C 13 173.620 0.300 . 1 . . . . 57 GLN C . 10031 1 662 . 1 1 57 57 GLN CA C 13 53.262 0.300 . 1 . . . . 57 GLN CA . 10031 1 663 . 1 1 57 57 GLN CB C 13 32.869 0.300 . 1 . . . . 57 GLN CB . 10031 1 664 . 1 1 57 57 GLN CG C 13 33.075 0.300 . 1 . . . . 57 GLN CG . 10031 1 665 . 1 1 57 57 GLN N N 15 117.030 0.300 . 1 . . . . 57 GLN N . 10031 1 666 . 1 1 57 57 GLN NE2 N 15 113.336 0.300 . 1 . . . . 57 GLN NE2 . 10031 1 667 . 1 1 58 58 TRP H H 1 8.890 0.030 . 1 . . . . 58 TRP H . 10031 1 668 . 1 1 58 58 TRP HA H 1 5.963 0.030 . 1 . . . . 58 TRP HA . 10031 1 669 . 1 1 58 58 TRP HB2 H 1 3.068 0.030 . 2 . . . . 58 TRP HB2 . 10031 1 670 . 1 1 58 58 TRP HB3 H 1 2.838 0.030 . 2 . . . . 58 TRP HB3 . 10031 1 671 . 1 1 58 58 TRP HD1 H 1 7.186 0.030 . 1 . . . . 58 TRP HD1 . 10031 1 672 . 1 1 58 58 TRP HE1 H 1 10.190 0.030 . 1 . . . . 58 TRP HE1 . 10031 1 673 . 1 1 58 58 TRP HE3 H 1 7.302 0.030 . 1 . . . . 58 TRP HE3 . 10031 1 674 . 1 1 58 58 TRP HZ2 H 1 7.390 0.030 . 1 . . . . 58 TRP HZ2 . 10031 1 675 . 1 1 58 58 TRP HZ3 H 1 6.959 0.030 . 1 . . . . 58 TRP HZ3 . 10031 1 676 . 1 1 58 58 TRP HH2 H 1 7.136 0.030 . 1 . . . . 58 TRP HH2 . 10031 1 677 . 1 1 58 58 TRP C C 13 176.637 0.300 . 1 . . . . 58 TRP C . 10031 1 678 . 1 1 58 58 TRP CA C 13 56.143 0.300 . 1 . . . . 58 TRP CA . 10031 1 679 . 1 1 58 58 TRP CB C 13 31.119 0.300 . 1 . . . . 58 TRP CB . 10031 1 680 . 1 1 58 58 TRP CD1 C 13 127.338 0.300 . 1 . . . . 58 TRP CD1 . 10031 1 681 . 1 1 58 58 TRP CE3 C 13 121.034 0.300 . 1 . . . . 58 TRP CE3 . 10031 1 682 . 1 1 58 58 TRP CZ2 C 13 114.261 0.300 . 1 . . . . 58 TRP CZ2 . 10031 1 683 . 1 1 58 58 TRP CZ3 C 13 122.141 0.300 . 1 . . . . 58 TRP CZ3 . 10031 1 684 . 1 1 58 58 TRP CH2 C 13 124.420 0.300 . 1 . . . . 58 TRP CH2 . 10031 1 685 . 1 1 58 58 TRP N N 15 122.421 0.300 . 1 . . . . 58 TRP N . 10031 1 686 . 1 1 58 58 TRP NE1 N 15 128.633 0.300 . 1 . . . . 58 TRP NE1 . 10031 1 687 . 1 1 59 59 LEU H H 1 9.054 0.030 . 1 . . . . 59 LEU H . 10031 1 688 . 1 1 59 59 LEU HA H 1 4.880 0.030 . 1 . . . . 59 LEU HA . 10031 1 689 . 1 1 59 59 LEU HB2 H 1 1.713 0.030 . 2 . . . . 59 LEU HB2 . 10031 1 690 . 1 1 59 59 LEU HB3 H 1 1.396 0.030 . 2 . . . . 59 LEU HB3 . 10031 1 691 . 1 1 59 59 LEU HG H 1 1.622 0.030 . 1 . . . . 59 LEU HG . 10031 1 692 . 1 1 59 59 LEU HD11 H 1 0.787 0.030 . 1 . . . . 59 LEU HD1 . 10031 1 693 . 1 1 59 59 LEU HD12 H 1 0.787 0.030 . 1 . . . . 59 LEU HD1 . 10031 1 694 . 1 1 59 59 LEU HD13 H 1 0.787 0.030 . 1 . . . . 59 LEU HD1 . 10031 1 695 . 1 1 59 59 LEU HD21 H 1 0.969 0.030 . 1 . . . . 59 LEU HD2 . 10031 1 696 . 1 1 59 59 LEU HD22 H 1 0.969 0.030 . 1 . . . . 59 LEU HD2 . 10031 1 697 . 1 1 59 59 LEU HD23 H 1 0.969 0.030 . 1 . . . . 59 LEU HD2 . 10031 1 698 . 1 1 59 59 LEU C C 13 175.751 0.300 . 1 . . . . 59 LEU C . 10031 1 699 . 1 1 59 59 LEU CA C 13 54.196 0.300 . 1 . . . . 59 LEU CA . 10031 1 700 . 1 1 59 59 LEU CB C 13 47.016 0.300 . 1 . . . . 59 LEU CB . 10031 1 701 . 1 1 59 59 LEU CG C 13 28.406 0.300 . 1 . . . . 59 LEU CG . 10031 1 702 . 1 1 59 59 LEU CD1 C 13 25.978 0.300 . 2 . . . . 59 LEU CD1 . 10031 1 703 . 1 1 59 59 LEU CD2 C 13 25.150 0.300 . 2 . . . . 59 LEU CD2 . 10031 1 704 . 1 1 59 59 LEU N N 15 123.769 0.300 . 1 . . . . 59 LEU N . 10031 1 705 . 1 1 60 60 PHE H H 1 9.357 0.030 . 1 . . . . 60 PHE H . 10031 1 706 . 1 1 60 60 PHE HA H 1 5.145 0.030 . 1 . . . . 60 PHE HA . 10031 1 707 . 1 1 60 60 PHE HB2 H 1 3.336 0.030 . 2 . . . . 60 PHE HB2 . 10031 1 708 . 1 1 60 60 PHE HB3 H 1 2.994 0.030 . 2 . . . . 60 PHE HB3 . 10031 1 709 . 1 1 60 60 PHE HD1 H 1 7.234 0.030 . 1 . . . . 60 PHE HD1 . 10031 1 710 . 1 1 60 60 PHE HD2 H 1 7.234 0.030 . 1 . . . . 60 PHE HD2 . 10031 1 711 . 1 1 60 60 PHE HE1 H 1 7.563 0.030 . 1 . . . . 60 PHE HE1 . 10031 1 712 . 1 1 60 60 PHE HE2 H 1 7.563 0.030 . 1 . . . . 60 PHE HE2 . 10031 1 713 . 1 1 60 60 PHE HZ H 1 7.616 0.030 . 1 . . . . 60 PHE HZ . 10031 1 714 . 1 1 60 60 PHE C C 13 178.248 0.300 . 1 . . . . 60 PHE C . 10031 1 715 . 1 1 60 60 PHE CA C 13 58.183 0.300 . 1 . . . . 60 PHE CA . 10031 1 716 . 1 1 60 60 PHE CB C 13 40.183 0.300 . 1 . . . . 60 PHE CB . 10031 1 717 . 1 1 60 60 PHE CD1 C 13 131.351 0.300 . 1 . . . . 60 PHE CD1 . 10031 1 718 . 1 1 60 60 PHE CD2 C 13 131.351 0.300 . 1 . . . . 60 PHE CD2 . 10031 1 719 . 1 1 60 60 PHE CE1 C 13 132.294 0.300 . 1 . . . . 60 PHE CE1 . 10031 1 720 . 1 1 60 60 PHE CE2 C 13 132.294 0.300 . 1 . . . . 60 PHE CE2 . 10031 1 721 . 1 1 60 60 PHE CZ C 13 130.586 0.300 . 1 . . . . 60 PHE CZ . 10031 1 722 . 1 1 60 60 PHE N N 15 123.505 0.300 . 1 . . . . 60 PHE N . 10031 1 723 . 1 1 61 61 TYR H H 1 8.154 0.030 . 1 . . . . 61 TYR H . 10031 1 724 . 1 1 61 61 TYR HA H 1 4.012 0.030 . 1 . . . . 61 TYR HA . 10031 1 725 . 1 1 61 61 TYR HB2 H 1 2.886 0.030 . 2 . . . . 61 TYR HB2 . 10031 1 726 . 1 1 61 61 TYR HB3 H 1 2.736 0.030 . 2 . . . . 61 TYR HB3 . 10031 1 727 . 1 1 61 61 TYR HD1 H 1 6.449 0.030 . 1 . . . . 61 TYR HD1 . 10031 1 728 . 1 1 61 61 TYR HD2 H 1 6.449 0.030 . 1 . . . . 61 TYR HD2 . 10031 1 729 . 1 1 61 61 TYR HE1 H 1 6.636 0.030 . 1 . . . . 61 TYR HE1 . 10031 1 730 . 1 1 61 61 TYR HE2 H 1 6.636 0.030 . 1 . . . . 61 TYR HE2 . 10031 1 731 . 1 1 61 61 TYR C C 13 172.826 0.300 . 1 . . . . 61 TYR C . 10031 1 732 . 1 1 61 61 TYR CA C 13 60.347 0.300 . 1 . . . . 61 TYR CA . 10031 1 733 . 1 1 61 61 TYR CB C 13 36.928 0.300 . 1 . . . . 61 TYR CB . 10031 1 734 . 1 1 61 61 TYR CD1 C 13 132.849 0.300 . 1 . . . . 61 TYR CD1 . 10031 1 735 . 1 1 61 61 TYR CD2 C 13 132.849 0.300 . 1 . . . . 61 TYR CD2 . 10031 1 736 . 1 1 61 61 TYR CE1 C 13 118.358 0.300 . 1 . . . . 61 TYR CE1 . 10031 1 737 . 1 1 61 61 TYR CE2 C 13 118.358 0.300 . 1 . . . . 61 TYR CE2 . 10031 1 738 . 1 1 61 61 TYR N N 15 122.124 0.300 . 1 . . . . 61 TYR N . 10031 1 739 . 1 1 62 62 LEU H H 1 5.110 0.030 . 1 . . . . 62 LEU H . 10031 1 740 . 1 1 62 62 LEU HA H 1 3.986 0.030 . 1 . . . . 62 LEU HA . 10031 1 741 . 1 1 62 62 LEU HB2 H 1 1.493 0.030 . 2 . . . . 62 LEU HB2 . 10031 1 742 . 1 1 62 62 LEU HB3 H 1 1.186 0.030 . 2 . . . . 62 LEU HB3 . 10031 1 743 . 1 1 62 62 LEU HG H 1 0.765 0.030 . 1 . . . . 62 LEU HG . 10031 1 744 . 1 1 62 62 LEU HD11 H 1 0.107 0.030 . 1 . . . . 62 LEU HD1 . 10031 1 745 . 1 1 62 62 LEU HD12 H 1 0.107 0.030 . 1 . . . . 62 LEU HD1 . 10031 1 746 . 1 1 62 62 LEU HD13 H 1 0.107 0.030 . 1 . . . . 62 LEU HD1 . 10031 1 747 . 1 1 62 62 LEU HD21 H 1 0.460 0.030 . 1 . . . . 62 LEU HD2 . 10031 1 748 . 1 1 62 62 LEU HD22 H 1 0.460 0.030 . 1 . . . . 62 LEU HD2 . 10031 1 749 . 1 1 62 62 LEU HD23 H 1 0.460 0.030 . 1 . . . . 62 LEU HD2 . 10031 1 750 . 1 1 62 62 LEU C C 13 176.571 0.300 . 1 . . . . 62 LEU C . 10031 1 751 . 1 1 62 62 LEU CA C 13 53.471 0.300 . 1 . . . . 62 LEU CA . 10031 1 752 . 1 1 62 62 LEU CB C 13 41.716 0.300 . 1 . . . . 62 LEU CB . 10031 1 753 . 1 1 62 62 LEU CG C 13 25.250 0.300 . 1 . . . . 62 LEU CG . 10031 1 754 . 1 1 62 62 LEU CD1 C 13 25.626 0.300 . 2 . . . . 62 LEU CD1 . 10031 1 755 . 1 1 62 62 LEU CD2 C 13 23.412 0.300 . 2 . . . . 62 LEU CD2 . 10031 1 756 . 1 1 63 63 ASP H H 1 7.977 0.030 . 1 . . . . 63 ASP H . 10031 1 757 . 1 1 63 63 ASP HA H 1 4.270 0.030 . 1 . . . . 63 ASP HA . 10031 1 758 . 1 1 63 63 ASP HB2 H 1 3.111 0.030 . 2 . . . . 63 ASP HB2 . 10031 1 759 . 1 1 63 63 ASP HB3 H 1 2.580 0.030 . 2 . . . . 63 ASP HB3 . 10031 1 760 . 1 1 63 63 ASP C C 13 177.716 0.300 . 1 . . . . 63 ASP C . 10031 1 761 . 1 1 63 63 ASP CA C 13 56.230 0.300 . 1 . . . . 63 ASP CA . 10031 1 762 . 1 1 63 63 ASP CB C 13 43.833 0.300 . 1 . . . . 63 ASP CB . 10031 1 763 . 1 1 63 63 ASP N N 15 123.082 0.300 . 1 . . . . 63 ASP N . 10031 1 764 . 1 1 64 64 TYR H H 1 8.283 0.030 . 1 . . . . 64 TYR H . 10031 1 765 . 1 1 64 64 TYR HA H 1 4.321 0.030 . 1 . . . . 64 TYR HA . 10031 1 766 . 1 1 64 64 TYR HB2 H 1 3.141 0.030 . 2 . . . . 64 TYR HB2 . 10031 1 767 . 1 1 64 64 TYR HB3 H 1 3.060 0.030 . 2 . . . . 64 TYR HB3 . 10031 1 768 . 1 1 64 64 TYR HD1 H 1 7.121 0.030 . 1 . . . . 64 TYR HD1 . 10031 1 769 . 1 1 64 64 TYR HD2 H 1 7.121 0.030 . 1 . . . . 64 TYR HD2 . 10031 1 770 . 1 1 64 64 TYR HE1 H 1 6.859 0.030 . 1 . . . . 64 TYR HE1 . 10031 1 771 . 1 1 64 64 TYR HE2 H 1 6.859 0.030 . 1 . . . . 64 TYR HE2 . 10031 1 772 . 1 1 64 64 TYR C C 13 176.413 0.300 . 1 . . . . 64 TYR C . 10031 1 773 . 1 1 64 64 TYR CA C 13 59.467 0.300 . 1 . . . . 64 TYR CA . 10031 1 774 . 1 1 64 64 TYR CB C 13 37.936 0.300 . 1 . . . . 64 TYR CB . 10031 1 775 . 1 1 64 64 TYR CD1 C 13 133.119 0.300 . 1 . . . . 64 TYR CD1 . 10031 1 776 . 1 1 64 64 TYR CD2 C 13 133.119 0.300 . 1 . . . . 64 TYR CD2 . 10031 1 777 . 1 1 64 64 TYR CE1 C 13 118.315 0.300 . 1 . . . . 64 TYR CE1 . 10031 1 778 . 1 1 64 64 TYR CE2 C 13 118.315 0.300 . 1 . . . . 64 TYR CE2 . 10031 1 779 . 1 1 64 64 TYR N N 15 126.353 0.300 . 1 . . . . 64 TYR N . 10031 1 780 . 1 1 65 65 ARG H H 1 9.295 0.030 . 1 . . . . 65 ARG H . 10031 1 781 . 1 1 65 65 ARG HA H 1 3.884 0.030 . 1 . . . . 65 ARG HA . 10031 1 782 . 1 1 65 65 ARG HB2 H 1 2.130 0.030 . 2 . . . . 65 ARG HB2 . 10031 1 783 . 1 1 65 65 ARG HB3 H 1 1.454 0.030 . 2 . . . . 65 ARG HB3 . 10031 1 784 . 1 1 65 65 ARG HG2 H 1 1.496 0.030 . 1 . . . . 65 ARG HG2 . 10031 1 785 . 1 1 65 65 ARG HG3 H 1 1.496 0.030 . 1 . . . . 65 ARG HG3 . 10031 1 786 . 1 1 65 65 ARG HD2 H 1 3.209 0.030 . 2 . . . . 65 ARG HD2 . 10031 1 787 . 1 1 65 65 ARG HD3 H 1 3.093 0.030 . 2 . . . . 65 ARG HD3 . 10031 1 788 . 1 1 65 65 ARG HE H 1 6.947 0.030 . 1 . . . . 65 ARG HE . 10031 1 789 . 1 1 65 65 ARG C C 13 176.298 0.300 . 1 . . . . 65 ARG C . 10031 1 790 . 1 1 65 65 ARG CA C 13 57.883 0.300 . 1 . . . . 65 ARG CA . 10031 1 791 . 1 1 65 65 ARG CB C 13 32.035 0.300 . 1 . . . . 65 ARG CB . 10031 1 792 . 1 1 65 65 ARG CG C 13 27.007 0.300 . 1 . . . . 65 ARG CG . 10031 1 793 . 1 1 65 65 ARG CD C 13 44.353 0.300 . 1 . . . . 65 ARG CD . 10031 1 794 . 1 1 65 65 ARG N N 15 118.593 0.300 . 1 . . . . 65 ARG N . 10031 1 795 . 1 1 65 65 ARG NE N 15 83.507 0.300 . 1 . . . . 65 ARG NE . 10031 1 796 . 1 1 66 66 LEU H H 1 7.571 0.030 . 1 . . . . 66 LEU H . 10031 1 797 . 1 1 66 66 LEU HA H 1 5.183 0.030 . 1 . . . . 66 LEU HA . 10031 1 798 . 1 1 66 66 LEU HB2 H 1 2.094 0.030 . 2 . . . . 66 LEU HB2 . 10031 1 799 . 1 1 66 66 LEU HB3 H 1 1.264 0.030 . 2 . . . . 66 LEU HB3 . 10031 1 800 . 1 1 66 66 LEU HG H 1 1.523 0.030 . 1 . . . . 66 LEU HG . 10031 1 801 . 1 1 66 66 LEU HD11 H 1 0.935 0.030 . 1 . . . . 66 LEU HD1 . 10031 1 802 . 1 1 66 66 LEU HD12 H 1 0.935 0.030 . 1 . . . . 66 LEU HD1 . 10031 1 803 . 1 1 66 66 LEU HD13 H 1 0.935 0.030 . 1 . . . . 66 LEU HD1 . 10031 1 804 . 1 1 66 66 LEU HD21 H 1 0.776 0.030 . 1 . . . . 66 LEU HD2 . 10031 1 805 . 1 1 66 66 LEU HD22 H 1 0.776 0.030 . 1 . . . . 66 LEU HD2 . 10031 1 806 . 1 1 66 66 LEU HD23 H 1 0.776 0.030 . 1 . . . . 66 LEU HD2 . 10031 1 807 . 1 1 66 66 LEU CA C 13 54.121 0.300 . 1 . . . . 66 LEU CA . 10031 1 808 . 1 1 66 66 LEU CB C 13 42.169 0.300 . 1 . . . . 66 LEU CB . 10031 1 809 . 1 1 66 66 LEU CG C 13 27.002 0.300 . 1 . . . . 66 LEU CG . 10031 1 810 . 1 1 66 66 LEU CD1 C 13 26.744 0.300 . 2 . . . . 66 LEU CD1 . 10031 1 811 . 1 1 66 66 LEU CD2 C 13 24.230 0.300 . 2 . . . . 66 LEU CD2 . 10031 1 812 . 1 1 66 66 LEU N N 15 118.328 0.300 . 1 . . . . 66 LEU N . 10031 1 813 . 1 1 67 67 ARG H H 1 8.991 0.030 . 1 . . . . 67 ARG H . 10031 1 814 . 1 1 67 67 ARG HA H 1 4.138 0.030 . 1 . . . . 67 ARG HA . 10031 1 815 . 1 1 67 67 ARG HB2 H 1 1.337 0.030 . 2 . . . . 67 ARG HB2 . 10031 1 816 . 1 1 67 67 ARG HB3 H 1 1.017 0.030 . 2 . . . . 67 ARG HB3 . 10031 1 817 . 1 1 67 67 ARG HG2 H 1 0.692 0.030 . 1 . . . . 67 ARG HG2 . 10031 1 818 . 1 1 67 67 ARG HG3 H 1 0.692 0.030 . 1 . . . . 67 ARG HG3 . 10031 1 819 . 1 1 67 67 ARG CA C 13 51.278 0.300 . 1 . . . . 67 ARG CA . 10031 1 820 . 1 1 67 67 ARG CB C 13 33.707 0.300 . 1 . . . . 67 ARG CB . 10031 1 821 . 1 1 67 67 ARG CG C 13 25.222 0.300 . 1 . . . . 67 ARG CG . 10031 1 822 . 1 1 67 67 ARG CD C 13 42.563 0.300 . 1 . . . . 67 ARG CD . 10031 1 823 . 1 1 67 67 ARG N N 15 121.952 0.300 . 1 . . . . 67 ARG N . 10031 1 824 . 1 1 68 68 PRO HA H 1 4.370 0.030 . 1 . . . . 68 PRO HA . 10031 1 825 . 1 1 68 68 PRO HB2 H 1 1.686 0.030 . 2 . . . . 68 PRO HB2 . 10031 1 826 . 1 1 68 68 PRO HB3 H 1 1.878 0.030 . 2 . . . . 68 PRO HB3 . 10031 1 827 . 1 1 68 68 PRO HG2 H 1 1.915 0.030 . 2 . . . . 68 PRO HG2 . 10031 1 828 . 1 1 68 68 PRO HG3 H 1 1.494 0.030 . 2 . . . . 68 PRO HG3 . 10031 1 829 . 1 1 68 68 PRO HD2 H 1 2.893 0.030 . 2 . . . . 68 PRO HD2 . 10031 1 830 . 1 1 68 68 PRO HD3 H 1 2.393 0.030 . 2 . . . . 68 PRO HD3 . 10031 1 831 . 1 1 68 68 PRO C C 13 176.446 0.300 . 1 . . . . 68 PRO C . 10031 1 832 . 1 1 68 68 PRO CA C 13 61.203 0.300 . 1 . . . . 68 PRO CA . 10031 1 833 . 1 1 68 68 PRO CB C 13 31.276 0.300 . 1 . . . . 68 PRO CB . 10031 1 834 . 1 1 68 68 PRO CG C 13 26.942 0.300 . 1 . . . . 68 PRO CG . 10031 1 835 . 1 1 68 68 PRO CD C 13 48.895 0.300 . 1 . . . . 68 PRO CD . 10031 1 836 . 1 1 69 69 VAL H H 1 8.739 0.030 . 1 . . . . 69 VAL H . 10031 1 837 . 1 1 69 69 VAL HA H 1 3.920 0.030 . 1 . . . . 69 VAL HA . 10031 1 838 . 1 1 69 69 VAL HB H 1 1.933 0.030 . 1 . . . . 69 VAL HB . 10031 1 839 . 1 1 69 69 VAL HG11 H 1 0.829 0.030 . 1 . . . . 69 VAL HG1 . 10031 1 840 . 1 1 69 69 VAL HG12 H 1 0.829 0.030 . 1 . . . . 69 VAL HG1 . 10031 1 841 . 1 1 69 69 VAL HG13 H 1 0.829 0.030 . 1 . . . . 69 VAL HG1 . 10031 1 842 . 1 1 69 69 VAL HG21 H 1 0.931 0.030 . 1 . . . . 69 VAL HG2 . 10031 1 843 . 1 1 69 69 VAL HG22 H 1 0.931 0.030 . 1 . . . . 69 VAL HG2 . 10031 1 844 . 1 1 69 69 VAL HG23 H 1 0.931 0.030 . 1 . . . . 69 VAL HG2 . 10031 1 845 . 1 1 69 69 VAL C C 13 177.900 0.300 . 1 . . . . 69 VAL C . 10031 1 846 . 1 1 69 69 VAL CA C 13 64.583 0.300 . 1 . . . . 69 VAL CA . 10031 1 847 . 1 1 69 69 VAL CB C 13 30.342 0.300 . 1 . . . . 69 VAL CB . 10031 1 848 . 1 1 69 69 VAL CG1 C 13 21.877 0.300 . 2 . . . . 69 VAL CG1 . 10031 1 849 . 1 1 69 69 VAL CG2 C 13 22.798 0.300 . 2 . . . . 69 VAL CG2 . 10031 1 850 . 1 1 69 69 VAL N N 15 119.540 0.300 . 1 . . . . 69 VAL N . 10031 1 851 . 1 1 70 70 GLY H H 1 9.941 0.030 . 1 . . . . 70 GLY H . 10031 1 852 . 1 1 70 70 GLY HA2 H 1 4.444 0.030 . 2 . . . . 70 GLY HA2 . 10031 1 853 . 1 1 70 70 GLY HA3 H 1 3.658 0.030 . 2 . . . . 70 GLY HA3 . 10031 1 854 . 1 1 70 70 GLY C C 13 174.841 0.300 . 1 . . . . 70 GLY C . 10031 1 855 . 1 1 70 70 GLY CA C 13 44.839 0.300 . 1 . . . . 70 GLY CA . 10031 1 856 . 1 1 70 70 GLY N N 15 121.229 0.300 . 1 . . . . 70 GLY N . 10031 1 857 . 1 1 71 71 TRP H H 1 8.476 0.030 . 1 . . . . 71 TRP H . 10031 1 858 . 1 1 71 71 TRP HA H 1 4.026 0.030 . 1 . . . . 71 TRP HA . 10031 1 859 . 1 1 71 71 TRP HB2 H 1 3.152 0.030 . 2 . . . . 71 TRP HB2 . 10031 1 860 . 1 1 71 71 TRP HB3 H 1 3.257 0.030 . 2 . . . . 71 TRP HB3 . 10031 1 861 . 1 1 71 71 TRP HE1 H 1 11.692 0.030 . 1 . . . . 71 TRP HE1 . 10031 1 862 . 1 1 71 71 TRP HE3 H 1 7.069 0.030 . 1 . . . . 71 TRP HE3 . 10031 1 863 . 1 1 71 71 TRP HZ2 H 1 7.574 0.030 . 1 . . . . 71 TRP HZ2 . 10031 1 864 . 1 1 71 71 TRP HZ3 H 1 7.074 0.030 . 1 . . . . 71 TRP HZ3 . 10031 1 865 . 1 1 71 71 TRP HH2 H 1 7.305 0.030 . 1 . . . . 71 TRP HH2 . 10031 1 866 . 1 1 71 71 TRP CA C 13 60.775 0.300 . 1 . . . . 71 TRP CA . 10031 1 867 . 1 1 71 71 TRP CB C 13 29.588 0.300 . 1 . . . . 71 TRP CB . 10031 1 868 . 1 1 71 71 TRP CZ2 C 13 114.723 0.300 . 1 . . . . 71 TRP CZ2 . 10031 1 869 . 1 1 71 71 TRP CZ3 C 13 122.828 0.300 . 1 . . . . 71 TRP CZ3 . 10031 1 870 . 1 1 71 71 TRP CH2 C 13 125.002 0.300 . 1 . . . . 71 TRP CH2 . 10031 1 871 . 1 1 71 71 TRP N N 15 127.192 0.300 . 1 . . . . 71 TRP N . 10031 1 872 . 1 1 71 71 TRP NE1 N 15 125.832 0.300 . 1 . . . . 71 TRP NE1 . 10031 1 873 . 1 1 72 72 CYS H H 1 7.051 0.030 . 1 . . . . 72 CYS H . 10031 1 874 . 1 1 72 72 CYS HA H 1 3.496 0.030 . 1 . . . . 72 CYS HA . 10031 1 875 . 1 1 72 72 CYS HB2 H 1 2.532 0.030 . 2 . . . . 72 CYS HB2 . 10031 1 876 . 1 1 72 72 CYS HB3 H 1 3.030 0.030 . 2 . . . . 72 CYS HB3 . 10031 1 877 . 1 1 72 72 CYS CA C 13 63.628 0.300 . 1 . . . . 72 CYS CA . 10031 1 878 . 1 1 72 72 CYS CB C 13 25.960 0.300 . 1 . . . . 72 CYS CB . 10031 1 879 . 1 1 73 73 GLN H H 1 9.294 0.030 . 1 . . . . 73 GLN H . 10031 1 880 . 1 1 73 73 GLN HA H 1 4.077 0.030 . 1 . . . . 73 GLN HA . 10031 1 881 . 1 1 73 73 GLN HB2 H 1 2.053 0.030 . 2 . . . . 73 GLN HB2 . 10031 1 882 . 1 1 73 73 GLN HB3 H 1 1.955 0.030 . 2 . . . . 73 GLN HB3 . 10031 1 883 . 1 1 73 73 GLN HG2 H 1 2.358 0.030 . 1 . . . . 73 GLN HG2 . 10031 1 884 . 1 1 73 73 GLN HG3 H 1 2.358 0.030 . 1 . . . . 73 GLN HG3 . 10031 1 885 . 1 1 73 73 GLN HE21 H 1 7.508 0.030 . 2 . . . . 73 GLN HE21 . 10031 1 886 . 1 1 73 73 GLN HE22 H 1 6.736 0.030 . 2 . . . . 73 GLN HE22 . 10031 1 887 . 1 1 73 73 GLN CA C 13 58.634 0.300 . 1 . . . . 73 GLN CA . 10031 1 888 . 1 1 73 73 GLN CB C 13 28.306 0.300 . 1 . . . . 73 GLN CB . 10031 1 889 . 1 1 73 73 GLN CG C 13 34.201 0.300 . 1 . . . . 73 GLN CG . 10031 1 890 . 1 1 73 73 GLN N N 15 119.204 0.300 . 1 . . . . 73 GLN N . 10031 1 891 . 1 1 73 73 GLN NE2 N 15 111.412 0.300 . 1 . . . . 73 GLN NE2 . 10031 1 892 . 1 1 74 74 GLU H H 1 8.065 0.030 . 1 . . . . 74 GLU H . 10031 1 893 . 1 1 74 74 GLU HA H 1 3.848 0.030 . 1 . . . . 74 GLU HA . 10031 1 894 . 1 1 74 74 GLU HB2 H 1 1.935 0.030 . 2 . . . . 74 GLU HB2 . 10031 1 895 . 1 1 74 74 GLU HB3 H 1 1.715 0.030 . 2 . . . . 74 GLU HB3 . 10031 1 896 . 1 1 74 74 GLU HG2 H 1 2.052 0.030 . 1 . . . . 74 GLU HG2 . 10031 1 897 . 1 1 74 74 GLU HG3 H 1 2.052 0.030 . 1 . . . . 74 GLU HG3 . 10031 1 898 . 1 1 74 74 GLU CA C 13 58.908 0.300 . 1 . . . . 74 GLU CA . 10031 1 899 . 1 1 74 74 GLU CB C 13 29.241 0.300 . 1 . . . . 74 GLU CB . 10031 1 900 . 1 1 74 74 GLU CG C 13 35.828 0.300 . 1 . . . . 74 GLU CG . 10031 1 901 . 1 1 74 74 GLU N N 15 121.131 0.300 . 1 . . . . 74 GLU N . 10031 1 902 . 1 1 75 75 ASN H H 1 7.093 0.030 . 1 . . . . 75 ASN H . 10031 1 903 . 1 1 75 75 ASN HA H 1 3.999 0.030 . 1 . . . . 75 ASN HA . 10031 1 904 . 1 1 75 75 ASN HB2 H 1 1.171 0.030 . 2 . . . . 75 ASN HB2 . 10031 1 905 . 1 1 75 75 ASN HB3 H 1 1.430 0.030 . 2 . . . . 75 ASN HB3 . 10031 1 906 . 1 1 75 75 ASN CA C 13 53.744 0.300 . 1 . . . . 75 ASN CA . 10031 1 907 . 1 1 75 75 ASN CB C 13 39.373 0.300 . 1 . . . . 75 ASN CB . 10031 1 908 . 1 1 75 75 ASN N N 15 114.249 0.300 . 1 . . . . 75 ASN N . 10031 1 909 . 1 1 76 76 LYS H H 1 7.473 0.030 . 1 . . . . 76 LYS H . 10031 1 910 . 1 1 76 76 LYS HA H 1 3.881 0.030 . 1 . . . . 76 LYS HA . 10031 1 911 . 1 1 76 76 LYS HB2 H 1 1.945 0.030 . 2 . . . . 76 LYS HB2 . 10031 1 912 . 1 1 76 76 LYS HB3 H 1 1.858 0.030 . 2 . . . . 76 LYS HB3 . 10031 1 913 . 1 1 76 76 LYS HG2 H 1 1.224 0.030 . 1 . . . . 76 LYS HG2 . 10031 1 914 . 1 1 76 76 LYS HG3 H 1 1.224 0.030 . 1 . . . . 76 LYS HG3 . 10031 1 915 . 1 1 76 76 LYS HD2 H 1 1.655 0.030 . 2 . . . . 76 LYS HD2 . 10031 1 916 . 1 1 76 76 LYS HD3 H 1 1.567 0.030 . 2 . . . . 76 LYS HD3 . 10031 1 917 . 1 1 76 76 LYS HE2 H 1 2.945 0.030 . 2 . . . . 76 LYS HE2 . 10031 1 918 . 1 1 76 76 LYS CA C 13 57.125 0.300 . 1 . . . . 76 LYS CA . 10031 1 919 . 1 1 76 76 LYS CB C 13 28.245 0.300 . 1 . . . . 76 LYS CB . 10031 1 920 . 1 1 76 76 LYS CG C 13 24.922 0.300 . 1 . . . . 76 LYS CG . 10031 1 921 . 1 1 76 76 LYS CD C 13 28.980 0.300 . 1 . . . . 76 LYS CD . 10031 1 922 . 1 1 76 76 LYS CE C 13 42.386 0.300 . 1 . . . . 76 LYS CE . 10031 1 923 . 1 1 76 76 LYS N N 15 113.744 0.300 . 1 . . . . 76 LYS N . 10031 1 924 . 1 1 77 77 TYR H H 1 7.907 0.030 . 1 . . . . 77 TYR H . 10031 1 925 . 1 1 77 77 TYR HA H 1 5.192 0.030 . 1 . . . . 77 TYR HA . 10031 1 926 . 1 1 77 77 TYR HB2 H 1 3.674 0.030 . 2 . . . . 77 TYR HB2 . 10031 1 927 . 1 1 77 77 TYR HB3 H 1 3.332 0.030 . 2 . . . . 77 TYR HB3 . 10031 1 928 . 1 1 77 77 TYR HD1 H 1 7.049 0.030 . 1 . . . . 77 TYR HD1 . 10031 1 929 . 1 1 77 77 TYR HD2 H 1 7.049 0.030 . 1 . . . . 77 TYR HD2 . 10031 1 930 . 1 1 77 77 TYR HE1 H 1 6.849 0.030 . 1 . . . . 77 TYR HE1 . 10031 1 931 . 1 1 77 77 TYR HE2 H 1 6.849 0.030 . 1 . . . . 77 TYR HE2 . 10031 1 932 . 1 1 77 77 TYR C C 13 174.474 0.300 . 1 . . . . 77 TYR C . 10031 1 933 . 1 1 77 77 TYR CA C 13 54.831 0.300 . 1 . . . . 77 TYR CA . 10031 1 934 . 1 1 77 77 TYR CB C 13 38.154 0.300 . 1 . . . . 77 TYR CB . 10031 1 935 . 1 1 77 77 TYR CD1 C 13 131.695 0.300 . 1 . . . . 77 TYR CD1 . 10031 1 936 . 1 1 77 77 TYR CD2 C 13 131.695 0.300 . 1 . . . . 77 TYR CD2 . 10031 1 937 . 1 1 77 77 TYR CE1 C 13 118.872 0.300 . 1 . . . . 77 TYR CE1 . 10031 1 938 . 1 1 77 77 TYR CE2 C 13 118.872 0.300 . 1 . . . . 77 TYR CE2 . 10031 1 939 . 1 1 77 77 TYR N N 15 118.774 0.300 . 1 . . . . 77 TYR N . 10031 1 940 . 1 1 78 78 ARG H H 1 8.187 0.030 . 1 . . . . 78 ARG H . 10031 1 941 . 1 1 78 78 ARG HA H 1 4.547 0.030 . 1 . . . . 78 ARG HA . 10031 1 942 . 1 1 78 78 ARG HB2 H 1 1.967 0.030 . 2 . . . . 78 ARG HB2 . 10031 1 943 . 1 1 78 78 ARG HB3 H 1 1.905 0.030 . 2 . . . . 78 ARG HB3 . 10031 1 944 . 1 1 78 78 ARG HG2 H 1 1.732 0.030 . 2 . . . . 78 ARG HG2 . 10031 1 945 . 1 1 78 78 ARG HG3 H 1 1.521 0.030 . 2 . . . . 78 ARG HG3 . 10031 1 946 . 1 1 78 78 ARG HD2 H 1 3.077 0.030 . 2 . . . . 78 ARG HD2 . 10031 1 947 . 1 1 78 78 ARG HD3 H 1 3.262 0.030 . 2 . . . . 78 ARG HD3 . 10031 1 948 . 1 1 78 78 ARG C C 13 174.050 0.300 . 1 . . . . 78 ARG C . 10031 1 949 . 1 1 78 78 ARG CA C 13 55.731 0.300 . 1 . . . . 78 ARG CA . 10031 1 950 . 1 1 78 78 ARG CB C 13 32.651 0.300 . 1 . . . . 78 ARG CB . 10031 1 951 . 1 1 78 78 ARG CG C 13 27.521 0.300 . 1 . . . . 78 ARG CG . 10031 1 952 . 1 1 78 78 ARG CD C 13 43.844 0.300 . 1 . . . . 78 ARG CD . 10031 1 953 . 1 1 78 78 ARG N N 15 120.105 0.300 . 1 . . . . 78 ARG N . 10031 1 954 . 1 1 79 79 MET H H 1 8.683 0.030 . 1 . . . . 79 MET H . 10031 1 955 . 1 1 79 79 MET HA H 1 5.785 0.030 . 1 . . . . 79 MET HA . 10031 1 956 . 1 1 79 79 MET HB2 H 1 2.306 0.030 . 2 . . . . 79 MET HB2 . 10031 1 957 . 1 1 79 79 MET HB3 H 1 2.187 0.030 . 2 . . . . 79 MET HB3 . 10031 1 958 . 1 1 79 79 MET HG2 H 1 2.691 0.030 . 1 . . . . 79 MET HG2 . 10031 1 959 . 1 1 79 79 MET HG3 H 1 2.691 0.030 . 1 . . . . 79 MET HG3 . 10031 1 960 . 1 1 79 79 MET HE1 H 1 1.966 0.030 . 1 . . . . 79 MET HE . 10031 1 961 . 1 1 79 79 MET HE2 H 1 1.966 0.030 . 1 . . . . 79 MET HE . 10031 1 962 . 1 1 79 79 MET HE3 H 1 1.966 0.030 . 1 . . . . 79 MET HE . 10031 1 963 . 1 1 79 79 MET C C 13 175.394 0.300 . 1 . . . . 79 MET C . 10031 1 964 . 1 1 79 79 MET CA C 13 53.699 0.300 . 1 . . . . 79 MET CA . 10031 1 965 . 1 1 79 79 MET CB C 13 32.914 0.300 . 1 . . . . 79 MET CB . 10031 1 966 . 1 1 79 79 MET CG C 13 33.516 0.300 . 1 . . . . 79 MET CG . 10031 1 967 . 1 1 79 79 MET CE C 13 17.930 0.300 . 1 . . . . 79 MET CE . 10031 1 968 . 1 1 79 79 MET N N 15 128.349 0.300 . 1 . . . . 79 MET N . 10031 1 969 . 1 1 80 80 ASP H H 1 9.145 0.030 . 1 . . . . 80 ASP H . 10031 1 970 . 1 1 80 80 ASP HA H 1 5.082 0.030 . 1 . . . . 80 ASP HA . 10031 1 971 . 1 1 80 80 ASP HB2 H 1 2.125 0.030 . 2 . . . . 80 ASP HB2 . 10031 1 972 . 1 1 80 80 ASP HB3 H 1 2.291 0.030 . 2 . . . . 80 ASP HB3 . 10031 1 973 . 1 1 80 80 ASP C C 13 172.704 0.300 . 1 . . . . 80 ASP C . 10031 1 974 . 1 1 80 80 ASP CA C 13 53.397 0.300 . 1 . . . . 80 ASP CA . 10031 1 975 . 1 1 80 80 ASP CB C 13 45.448 0.300 . 1 . . . . 80 ASP CB . 10031 1 976 . 1 1 80 80 ASP N N 15 128.142 0.300 . 1 . . . . 80 ASP N . 10031 1 977 . 1 1 81 81 PRO HA H 1 3.245 0.030 . 1 . . . . 81 PRO HA . 10031 1 978 . 1 1 81 81 PRO HB2 H 1 0.196 0.030 . 2 . . . . 81 PRO HB2 . 10031 1 979 . 1 1 81 81 PRO HB3 H 1 -0.361 0.030 . 2 . . . . 81 PRO HB3 . 10031 1 980 . 1 1 81 81 PRO HG2 H 1 -0.407 0.030 . 2 . . . . 81 PRO HG2 . 10031 1 981 . 1 1 81 81 PRO HG3 H 1 -1.348 0.030 . 2 . . . . 81 PRO HG3 . 10031 1 982 . 1 1 81 81 PRO HD2 H 1 2.809 0.030 . 2 . . . . 81 PRO HD2 . 10031 1 983 . 1 1 81 81 PRO HD3 H 1 2.167 0.030 . 2 . . . . 81 PRO HD3 . 10031 1 984 . 1 1 81 81 PRO CA C 13 60.077 0.300 . 1 . . . . 81 PRO CA . 10031 1 985 . 1 1 81 81 PRO CB C 13 28.947 0.300 . 1 . . . . 81 PRO CB . 10031 1 986 . 1 1 81 81 PRO CG C 13 24.339 0.300 . 1 . . . . 81 PRO CG . 10031 1 987 . 1 1 81 81 PRO CD C 13 49.561 0.300 . 1 . . . . 81 PRO CD . 10031 1 988 . 1 1 82 82 PRO HA H 1 4.317 0.030 . 1 . . . . 82 PRO HA . 10031 1 989 . 1 1 82 82 PRO HB2 H 1 2.424 0.030 . 2 . . . . 82 PRO HB2 . 10031 1 990 . 1 1 82 82 PRO HB3 H 1 1.550 0.030 . 2 . . . . 82 PRO HB3 . 10031 1 991 . 1 1 82 82 PRO HG2 H 1 1.812 0.030 . 2 . . . . 82 PRO HG2 . 10031 1 992 . 1 1 82 82 PRO HG3 H 1 1.345 0.030 . 2 . . . . 82 PRO HG3 . 10031 1 993 . 1 1 82 82 PRO HD2 H 1 3.133 0.030 . 2 . . . . 82 PRO HD2 . 10031 1 994 . 1 1 82 82 PRO HD3 H 1 2.232 0.030 . 2 . . . . 82 PRO HD3 . 10031 1 995 . 1 1 82 82 PRO CA C 13 62.274 0.300 . 1 . . . . 82 PRO CA . 10031 1 996 . 1 1 82 82 PRO CB C 13 32.493 0.300 . 1 . . . . 82 PRO CB . 10031 1 997 . 1 1 82 82 PRO CG C 13 27.324 0.300 . 1 . . . . 82 PRO CG . 10031 1 998 . 1 1 82 82 PRO CD C 13 49.164 0.300 . 1 . . . . 82 PRO CD . 10031 1 999 . 1 1 83 83 SER H H 1 9.272 0.030 . 1 . . . . 83 SER H . 10031 1 1000 . 1 1 83 83 SER HA H 1 3.878 0.030 . 1 . . . . 83 SER HA . 10031 1 1001 . 1 1 83 83 SER HB2 H 1 3.832 0.030 . 1 . . . . 83 SER HB2 . 10031 1 1002 . 1 1 83 83 SER HB3 H 1 3.832 0.030 . 1 . . . . 83 SER HB3 . 10031 1 1003 . 1 1 83 83 SER C C 13 176.501 0.300 . 1 . . . . 83 SER C . 10031 1 1004 . 1 1 83 83 SER CA C 13 61.989 0.300 . 1 . . . . 83 SER CA . 10031 1 1005 . 1 1 83 83 SER CB C 13 62.708 0.300 . 1 . . . . 83 SER CB . 10031 1 1006 . 1 1 83 83 SER N N 15 120.667 0.300 . 1 . . . . 83 SER N . 10031 1 1007 . 1 1 84 84 GLU H H 1 8.948 0.030 . 1 . . . . 84 GLU H . 10031 1 1008 . 1 1 84 84 GLU HA H 1 4.085 0.030 . 1 . . . . 84 GLU HA . 10031 1 1009 . 1 1 84 84 GLU HB2 H 1 2.060 0.030 . 2 . . . . 84 GLU HB2 . 10031 1 1010 . 1 1 84 84 GLU HB3 H 1 1.931 0.030 . 2 . . . . 84 GLU HB3 . 10031 1 1011 . 1 1 84 84 GLU HG2 H 1 2.336 0.030 . 2 . . . . 84 GLU HG2 . 10031 1 1012 . 1 1 84 84 GLU HG3 H 1 2.269 0.030 . 2 . . . . 84 GLU HG3 . 10031 1 1013 . 1 1 84 84 GLU C C 13 176.704 0.300 . 1 . . . . 84 GLU C . 10031 1 1014 . 1 1 84 84 GLU CA C 13 59.002 0.300 . 1 . . . . 84 GLU CA . 10031 1 1015 . 1 1 84 84 GLU CB C 13 29.682 0.300 . 1 . . . . 84 GLU CB . 10031 1 1016 . 1 1 84 84 GLU CG C 13 36.316 0.300 . 1 . . . . 84 GLU CG . 10031 1 1017 . 1 1 84 84 GLU N N 15 118.167 0.300 . 1 . . . . 84 GLU N . 10031 1 1018 . 1 1 85 85 ILE H H 1 6.913 0.030 . 1 . . . . 85 ILE H . 10031 1 1019 . 1 1 85 85 ILE HA H 1 4.344 0.030 . 1 . . . . 85 ILE HA . 10031 1 1020 . 1 1 85 85 ILE HB H 1 1.790 0.030 . 1 . . . . 85 ILE HB . 10031 1 1021 . 1 1 85 85 ILE HG12 H 1 0.542 0.030 . 2 . . . . 85 ILE HG12 . 10031 1 1022 . 1 1 85 85 ILE HG13 H 1 0.741 0.030 . 2 . . . . 85 ILE HG13 . 10031 1 1023 . 1 1 85 85 ILE HG21 H 1 0.250 0.030 . 1 . . . . 85 ILE HG2 . 10031 1 1024 . 1 1 85 85 ILE HG22 H 1 0.250 0.030 . 1 . . . . 85 ILE HG2 . 10031 1 1025 . 1 1 85 85 ILE HG23 H 1 0.250 0.030 . 1 . . . . 85 ILE HG2 . 10031 1 1026 . 1 1 85 85 ILE HD11 H 1 0.207 0.030 . 1 . . . . 85 ILE HD1 . 10031 1 1027 . 1 1 85 85 ILE HD12 H 1 0.207 0.030 . 1 . . . . 85 ILE HD1 . 10031 1 1028 . 1 1 85 85 ILE HD13 H 1 0.207 0.030 . 1 . . . . 85 ILE HD1 . 10031 1 1029 . 1 1 85 85 ILE C C 13 175.079 0.300 . 1 . . . . 85 ILE C . 10031 1 1030 . 1 1 85 85 ILE CA C 13 59.697 0.300 . 1 . . . . 85 ILE CA . 10031 1 1031 . 1 1 85 85 ILE CB C 13 39.020 0.300 . 1 . . . . 85 ILE CB . 10031 1 1032 . 1 1 85 85 ILE CG1 C 13 25.711 0.300 . 1 . . . . 85 ILE CG1 . 10031 1 1033 . 1 1 85 85 ILE CG2 C 13 17.207 0.300 . 1 . . . . 85 ILE CG2 . 10031 1 1034 . 1 1 85 85 ILE CD1 C 13 13.697 0.300 . 1 . . . . 85 ILE CD1 . 10031 1 1035 . 1 1 85 85 ILE N N 15 108.985 0.300 . 1 . . . . 85 ILE N . 10031 1 1036 . 1 1 86 86 TYR H H 1 7.542 0.030 . 1 . . . . 86 TYR H . 10031 1 1037 . 1 1 86 86 TYR HA H 1 3.779 0.030 . 1 . . . . 86 TYR HA . 10031 1 1038 . 1 1 86 86 TYR HB2 H 1 2.944 0.030 . 2 . . . . 86 TYR HB2 . 10031 1 1039 . 1 1 86 86 TYR HB3 H 1 2.495 0.030 . 2 . . . . 86 TYR HB3 . 10031 1 1040 . 1 1 86 86 TYR HD1 H 1 6.536 0.030 . 1 . . . . 86 TYR HD1 . 10031 1 1041 . 1 1 86 86 TYR HD2 H 1 6.536 0.030 . 1 . . . . 86 TYR HD2 . 10031 1 1042 . 1 1 86 86 TYR HE1 H 1 6.712 0.030 . 1 . . . . 86 TYR HE1 . 10031 1 1043 . 1 1 86 86 TYR HE2 H 1 6.712 0.030 . 1 . . . . 86 TYR HE2 . 10031 1 1044 . 1 1 86 86 TYR C C 13 173.336 0.300 . 1 . . . . 86 TYR C . 10031 1 1045 . 1 1 86 86 TYR CA C 13 62.221 0.300 . 1 . . . . 86 TYR CA . 10031 1 1046 . 1 1 86 86 TYR CB C 13 36.854 0.300 . 1 . . . . 86 TYR CB . 10031 1 1047 . 1 1 86 86 TYR CD1 C 13 133.101 0.300 . 1 . . . . 86 TYR CD1 . 10031 1 1048 . 1 1 86 86 TYR CD2 C 13 133.101 0.300 . 1 . . . . 86 TYR CD2 . 10031 1 1049 . 1 1 86 86 TYR CE1 C 13 117.831 0.300 . 1 . . . . 86 TYR CE1 . 10031 1 1050 . 1 1 86 86 TYR CE2 C 13 117.831 0.300 . 1 . . . . 86 TYR CE2 . 10031 1 1051 . 1 1 86 86 TYR N N 15 123.175 0.300 . 1 . . . . 86 TYR N . 10031 1 1052 . 1 1 87 87 PRO HA H 1 4.600 0.030 . 1 . . . . 87 PRO HA . 10031 1 1053 . 1 1 87 87 PRO HB2 H 1 2.469 0.030 . 2 . . . . 87 PRO HB2 . 10031 1 1054 . 1 1 87 87 PRO HB3 H 1 1.780 0.030 . 2 . . . . 87 PRO HB3 . 10031 1 1055 . 1 1 87 87 PRO HG2 H 1 2.010 0.030 . 1 . . . . 87 PRO HG2 . 10031 1 1056 . 1 1 87 87 PRO HG3 H 1 2.010 0.030 . 1 . . . . 87 PRO HG3 . 10031 1 1057 . 1 1 87 87 PRO HD2 H 1 4.047 0.030 . 2 . . . . 87 PRO HD2 . 10031 1 1058 . 1 1 87 87 PRO HD3 H 1 3.136 0.030 . 2 . . . . 87 PRO HD3 . 10031 1 1059 . 1 1 87 87 PRO C C 13 177.155 0.300 . 1 . . . . 87 PRO C . 10031 1 1060 . 1 1 87 87 PRO CA C 13 64.863 0.300 . 1 . . . . 87 PRO CA . 10031 1 1061 . 1 1 87 87 PRO CB C 13 31.455 0.300 . 1 . . . . 87 PRO CB . 10031 1 1062 . 1 1 87 87 PRO CG C 13 28.218 0.300 . 1 . . . . 87 PRO CG . 10031 1 1063 . 1 1 87 87 PRO CD C 13 51.034 0.300 . 1 . . . . 87 PRO CD . 10031 1 1064 . 1 1 88 88 LEU H H 1 8.178 0.030 . 1 . . . . 88 LEU H . 10031 1 1065 . 1 1 88 88 LEU HA H 1 4.043 0.030 . 1 . . . . 88 LEU HA . 10031 1 1066 . 1 1 88 88 LEU HB2 H 1 1.963 0.030 . 2 . . . . 88 LEU HB2 . 10031 1 1067 . 1 1 88 88 LEU HB3 H 1 1.536 0.030 . 2 . . . . 88 LEU HB3 . 10031 1 1068 . 1 1 88 88 LEU HG H 1 1.769 0.030 . 1 . . . . 88 LEU HG . 10031 1 1069 . 1 1 88 88 LEU HD11 H 1 0.873 0.030 . 1 . . . . 88 LEU HD1 . 10031 1 1070 . 1 1 88 88 LEU HD12 H 1 0.873 0.030 . 1 . . . . 88 LEU HD1 . 10031 1 1071 . 1 1 88 88 LEU HD13 H 1 0.873 0.030 . 1 . . . . 88 LEU HD1 . 10031 1 1072 . 1 1 88 88 LEU HD21 H 1 0.924 0.030 . 1 . . . . 88 LEU HD2 . 10031 1 1073 . 1 1 88 88 LEU HD22 H 1 0.924 0.030 . 1 . . . . 88 LEU HD2 . 10031 1 1074 . 1 1 88 88 LEU HD23 H 1 0.924 0.030 . 1 . . . . 88 LEU HD2 . 10031 1 1075 . 1 1 88 88 LEU C C 13 177.233 0.300 . 1 . . . . 88 LEU C . 10031 1 1076 . 1 1 88 88 LEU CA C 13 56.915 0.300 . 1 . . . . 88 LEU CA . 10031 1 1077 . 1 1 88 88 LEU CB C 13 42.232 0.300 . 1 . . . . 88 LEU CB . 10031 1 1078 . 1 1 88 88 LEU CG C 13 27.582 0.300 . 1 . . . . 88 LEU CG . 10031 1 1079 . 1 1 88 88 LEU CD1 C 13 25.752 0.300 . 2 . . . . 88 LEU CD1 . 10031 1 1080 . 1 1 88 88 LEU CD2 C 13 22.110 0.300 . 2 . . . . 88 LEU CD2 . 10031 1 1081 . 1 1 88 88 LEU N N 15 116.760 0.300 . 1 . . . . 88 LEU N . 10031 1 1082 . 1 1 89 89 LYS H H 1 7.571 0.030 . 1 . . . . 89 LYS H . 10031 1 1083 . 1 1 89 89 LYS HA H 1 4.376 0.030 . 1 . . . . 89 LYS HA . 10031 1 1084 . 1 1 89 89 LYS HB2 H 1 1.110 0.030 . 2 . . . . 89 LYS HB2 . 10031 1 1085 . 1 1 89 89 LYS HB3 H 1 -0.486 0.030 . 2 . . . . 89 LYS HB3 . 10031 1 1086 . 1 1 89 89 LYS HG2 H 1 0.776 0.030 . 2 . . . . 89 LYS HG2 . 10031 1 1087 . 1 1 89 89 LYS HG3 H 1 0.101 0.030 . 2 . . . . 89 LYS HG3 . 10031 1 1088 . 1 1 89 89 LYS HD2 H 1 0.174 0.030 . 2 . . . . 89 LYS HD2 . 10031 1 1089 . 1 1 89 89 LYS HD3 H 1 0.546 0.030 . 2 . . . . 89 LYS HD3 . 10031 1 1090 . 1 1 89 89 LYS HE2 H 1 2.278 0.030 . 2 . . . . 89 LYS HE2 . 10031 1 1091 . 1 1 89 89 LYS HE3 H 1 2.606 0.030 . 2 . . . . 89 LYS HE3 . 10031 1 1092 . 1 1 89 89 LYS C C 13 174.679 0.300 . 1 . . . . 89 LYS C . 10031 1 1093 . 1 1 89 89 LYS CA C 13 53.826 0.300 . 1 . . . . 89 LYS CA . 10031 1 1094 . 1 1 89 89 LYS CB C 13 34.860 0.300 . 1 . . . . 89 LYS CB . 10031 1 1095 . 1 1 89 89 LYS CG C 13 24.434 0.300 . 1 . . . . 89 LYS CG . 10031 1 1096 . 1 1 89 89 LYS CD C 13 28.080 0.300 . 1 . . . . 89 LYS CD . 10031 1 1097 . 1 1 89 89 LYS CE C 13 42.343 0.300 . 1 . . . . 89 LYS CE . 10031 1 1098 . 1 1 89 89 LYS N N 15 114.393 0.300 . 1 . . . . 89 LYS N . 10031 1 1099 . 1 1 90 90 MET H H 1 8.558 0.030 . 1 . . . . 90 MET H . 10031 1 1100 . 1 1 90 90 MET HA H 1 4.445 0.030 . 1 . . . . 90 MET HA . 10031 1 1101 . 1 1 90 90 MET HB2 H 1 2.320 0.030 . 2 . . . . 90 MET HB2 . 10031 1 1102 . 1 1 90 90 MET HB3 H 1 1.916 0.030 . 2 . . . . 90 MET HB3 . 10031 1 1103 . 1 1 90 90 MET HG2 H 1 2.712 0.030 . 2 . . . . 90 MET HG2 . 10031 1 1104 . 1 1 90 90 MET HG3 H 1 2.610 0.030 . 2 . . . . 90 MET HG3 . 10031 1 1105 . 1 1 90 90 MET HE1 H 1 2.124 0.030 . 1 . . . . 90 MET HE . 10031 1 1106 . 1 1 90 90 MET HE2 H 1 2.124 0.030 . 1 . . . . 90 MET HE . 10031 1 1107 . 1 1 90 90 MET HE3 H 1 2.124 0.030 . 1 . . . . 90 MET HE . 10031 1 1108 . 1 1 90 90 MET C C 13 178.139 0.300 . 1 . . . . 90 MET C . 10031 1 1109 . 1 1 90 90 MET CA C 13 55.292 0.300 . 1 . . . . 90 MET CA . 10031 1 1110 . 1 1 90 90 MET CB C 13 34.093 0.300 . 1 . . . . 90 MET CB . 10031 1 1111 . 1 1 90 90 MET CG C 13 32.344 0.300 . 1 . . . . 90 MET CG . 10031 1 1112 . 1 1 90 90 MET CE C 13 16.987 0.300 . 1 . . . . 90 MET CE . 10031 1 1113 . 1 1 90 90 MET N N 15 116.617 0.300 . 1 . . . . 90 MET N . 10031 1 1114 . 1 1 91 91 ALA H H 1 9.074 0.030 . 1 . . . . 91 ALA H . 10031 1 1115 . 1 1 91 91 ALA HA H 1 4.320 0.030 . 1 . . . . 91 ALA HA . 10031 1 1116 . 1 1 91 91 ALA HB1 H 1 1.728 0.030 . 1 . . . . 91 ALA HB . 10031 1 1117 . 1 1 91 91 ALA HB2 H 1 1.728 0.030 . 1 . . . . 91 ALA HB . 10031 1 1118 . 1 1 91 91 ALA HB3 H 1 1.728 0.030 . 1 . . . . 91 ALA HB . 10031 1 1119 . 1 1 91 91 ALA C C 13 180.932 0.300 . 1 . . . . 91 ALA C . 10031 1 1120 . 1 1 91 91 ALA CA C 13 56.923 0.300 . 1 . . . . 91 ALA CA . 10031 1 1121 . 1 1 91 91 ALA CB C 13 18.495 0.300 . 1 . . . . 91 ALA CB . 10031 1 1122 . 1 1 91 91 ALA N N 15 125.727 0.300 . 1 . . . . 91 ALA N . 10031 1 1123 . 1 1 92 92 SER H H 1 8.771 0.030 . 1 . . . . 92 SER H . 10031 1 1124 . 1 1 92 92 SER HA H 1 4.238 0.030 . 1 . . . . 92 SER HA . 10031 1 1125 . 1 1 92 92 SER HB2 H 1 3.985 0.030 . 1 . . . . 92 SER HB2 . 10031 1 1126 . 1 1 92 92 SER HB3 H 1 3.985 0.030 . 1 . . . . 92 SER HB3 . 10031 1 1127 . 1 1 92 92 SER C C 13 177.156 0.300 . 1 . . . . 92 SER C . 10031 1 1128 . 1 1 92 92 SER CA C 13 61.100 0.300 . 1 . . . . 92 SER CA . 10031 1 1129 . 1 1 92 92 SER CB C 13 61.676 0.300 . 1 . . . . 92 SER CB . 10031 1 1130 . 1 1 92 92 SER N N 15 111.602 0.300 . 1 . . . . 92 SER N . 10031 1 1131 . 1 1 93 93 GLU H H 1 7.265 0.030 . 1 . . . . 93 GLU H . 10031 1 1132 . 1 1 93 93 GLU HA H 1 4.272 0.030 . 1 . . . . 93 GLU HA . 10031 1 1133 . 1 1 93 93 GLU HB2 H 1 2.242 0.030 . 2 . . . . 93 GLU HB2 . 10031 1 1134 . 1 1 93 93 GLU HB3 H 1 1.832 0.030 . 2 . . . . 93 GLU HB3 . 10031 1 1135 . 1 1 93 93 GLU HG2 H 1 2.170 0.030 . 2 . . . . 93 GLU HG2 . 10031 1 1136 . 1 1 93 93 GLU HG3 H 1 2.246 0.030 . 2 . . . . 93 GLU HG3 . 10031 1 1137 . 1 1 93 93 GLU C C 13 180.358 0.300 . 1 . . . . 93 GLU C . 10031 1 1138 . 1 1 93 93 GLU CA C 13 58.587 0.300 . 1 . . . . 93 GLU CA . 10031 1 1139 . 1 1 93 93 GLU CB C 13 29.878 0.300 . 1 . . . . 93 GLU CB . 10031 1 1140 . 1 1 93 93 GLU CG C 13 37.318 0.300 . 1 . . . . 93 GLU CG . 10031 1 1141 . 1 1 93 93 GLU N N 15 123.909 0.300 . 1 . . . . 93 GLU N . 10031 1 1142 . 1 1 94 94 TRP H H 1 8.133 0.030 . 1 . . . . 94 TRP H . 10031 1 1143 . 1 1 94 94 TRP HA H 1 4.818 0.030 . 1 . . . . 94 TRP HA . 10031 1 1144 . 1 1 94 94 TRP HB2 H 1 3.414 0.030 . 2 . . . . 94 TRP HB2 . 10031 1 1145 . 1 1 94 94 TRP HB3 H 1 3.335 0.030 . 2 . . . . 94 TRP HB3 . 10031 1 1146 . 1 1 94 94 TRP HD1 H 1 6.303 0.030 . 1 . . . . 94 TRP HD1 . 10031 1 1147 . 1 1 94 94 TRP HE1 H 1 10.459 0.030 . 1 . . . . 94 TRP HE1 . 10031 1 1148 . 1 1 94 94 TRP HE3 H 1 7.699 0.030 . 1 . . . . 94 TRP HE3 . 10031 1 1149 . 1 1 94 94 TRP HZ2 H 1 7.512 0.030 . 1 . . . . 94 TRP HZ2 . 10031 1 1150 . 1 1 94 94 TRP HZ3 H 1 7.787 0.030 . 1 . . . . 94 TRP HZ3 . 10031 1 1151 . 1 1 94 94 TRP HH2 H 1 6.616 0.030 . 1 . . . . 94 TRP HH2 . 10031 1 1152 . 1 1 94 94 TRP C C 13 178.847 0.300 . 1 . . . . 94 TRP C . 10031 1 1153 . 1 1 94 94 TRP CA C 13 60.507 0.300 . 1 . . . . 94 TRP CA . 10031 1 1154 . 1 1 94 94 TRP CB C 13 29.840 0.300 . 1 . . . . 94 TRP CB . 10031 1 1155 . 1 1 94 94 TRP CD1 C 13 128.011 0.300 . 1 . . . . 94 TRP CD1 . 10031 1 1156 . 1 1 94 94 TRP CE3 C 13 120.944 0.300 . 1 . . . . 94 TRP CE3 . 10031 1 1157 . 1 1 94 94 TRP CZ2 C 13 115.095 0.300 . 1 . . . . 94 TRP CZ2 . 10031 1 1158 . 1 1 94 94 TRP CZ3 C 13 120.829 0.300 . 1 . . . . 94 TRP CZ3 . 10031 1 1159 . 1 1 94 94 TRP CH2 C 13 123.614 0.300 . 1 . . . . 94 TRP CH2 . 10031 1 1160 . 1 1 94 94 TRP N N 15 121.769 0.300 . 1 . . . . 94 TRP N . 10031 1 1161 . 1 1 94 94 TRP NE1 N 15 131.522 0.300 . 1 . . . . 94 TRP NE1 . 10031 1 1162 . 1 1 95 95 LYS H H 1 7.983 0.030 . 1 . . . . 95 LYS H . 10031 1 1163 . 1 1 95 95 LYS HA H 1 4.374 0.030 . 1 . . . . 95 LYS HA . 10031 1 1164 . 1 1 95 95 LYS HB2 H 1 2.129 0.030 . 2 . . . . 95 LYS HB2 . 10031 1 1165 . 1 1 95 95 LYS HG2 H 1 1.690 0.030 . 2 . . . . 95 LYS HG2 . 10031 1 1166 . 1 1 95 95 LYS HG3 H 1 1.606 0.030 . 2 . . . . 95 LYS HG3 . 10031 1 1167 . 1 1 95 95 LYS HD2 H 1 1.840 0.030 . 1 . . . . 95 LYS HD2 . 10031 1 1168 . 1 1 95 95 LYS HD3 H 1 1.840 0.030 . 1 . . . . 95 LYS HD3 . 10031 1 1169 . 1 1 95 95 LYS HE2 H 1 3.121 0.030 . 1 . . . . 95 LYS HE2 . 10031 1 1170 . 1 1 95 95 LYS HE3 H 1 3.121 0.030 . 1 . . . . 95 LYS HE3 . 10031 1 1171 . 1 1 95 95 LYS C C 13 178.593 0.300 . 1 . . . . 95 LYS C . 10031 1 1172 . 1 1 95 95 LYS CA C 13 59.850 0.300 . 1 . . . . 95 LYS CA . 10031 1 1173 . 1 1 95 95 LYS CB C 13 32.398 0.300 . 1 . . . . 95 LYS CB . 10031 1 1174 . 1 1 95 95 LYS CG C 13 24.935 0.300 . 1 . . . . 95 LYS CG . 10031 1 1175 . 1 1 95 95 LYS CD C 13 29.403 0.300 . 1 . . . . 95 LYS CD . 10031 1 1176 . 1 1 95 95 LYS CE C 13 42.323 0.300 . 1 . . . . 95 LYS CE . 10031 1 1177 . 1 1 95 95 LYS N N 15 118.449 0.300 . 1 . . . . 95 LYS N . 10031 1 1178 . 1 1 96 96 CYS H H 1 7.843 0.030 . 1 . . . . 96 CYS H . 10031 1 1179 . 1 1 96 96 CYS HA H 1 4.363 0.030 . 1 . . . . 96 CYS HA . 10031 1 1180 . 1 1 96 96 CYS HB2 H 1 3.167 0.030 . 2 . . . . 96 CYS HB2 . 10031 1 1181 . 1 1 96 96 CYS HB3 H 1 3.126 0.030 . 2 . . . . 96 CYS HB3 . 10031 1 1182 . 1 1 96 96 CYS C C 13 177.769 0.300 . 1 . . . . 96 CYS C . 10031 1 1183 . 1 1 96 96 CYS CA C 13 62.799 0.300 . 1 . . . . 96 CYS CA . 10031 1 1184 . 1 1 96 96 CYS CB C 13 26.775 0.300 . 1 . . . . 96 CYS CB . 10031 1 1185 . 1 1 96 96 CYS N N 15 118.134 0.300 . 1 . . . . 96 CYS N . 10031 1 1186 . 1 1 97 97 THR H H 1 8.430 0.030 . 1 . . . . 97 THR H . 10031 1 1187 . 1 1 97 97 THR HA H 1 4.069 0.030 . 1 . . . . 97 THR HA . 10031 1 1188 . 1 1 97 97 THR HB H 1 4.703 0.030 . 1 . . . . 97 THR HB . 10031 1 1189 . 1 1 97 97 THR HG21 H 1 1.512 0.030 . 1 . . . . 97 THR HG2 . 10031 1 1190 . 1 1 97 97 THR HG22 H 1 1.512 0.030 . 1 . . . . 97 THR HG2 . 10031 1 1191 . 1 1 97 97 THR HG23 H 1 1.512 0.030 . 1 . . . . 97 THR HG2 . 10031 1 1192 . 1 1 97 97 THR C C 13 176.951 0.300 . 1 . . . . 97 THR C . 10031 1 1193 . 1 1 97 97 THR CA C 13 67.260 0.300 . 1 . . . . 97 THR CA . 10031 1 1194 . 1 1 97 97 THR CB C 13 69.052 0.300 . 1 . . . . 97 THR CB . 10031 1 1195 . 1 1 97 97 THR CG2 C 13 22.339 0.300 . 1 . . . . 97 THR CG2 . 10031 1 1196 . 1 1 97 97 THR N N 15 117.917 0.300 . 1 . . . . 97 THR N . 10031 1 1197 . 1 1 98 98 LEU H H 1 8.665 0.030 . 1 . . . . 98 LEU H . 10031 1 1198 . 1 1 98 98 LEU HA H 1 3.842 0.030 . 1 . . . . 98 LEU HA . 10031 1 1199 . 1 1 98 98 LEU HB2 H 1 2.314 0.030 . 2 . . . . 98 LEU HB2 . 10031 1 1200 . 1 1 98 98 LEU HB3 H 1 2.006 0.030 . 2 . . . . 98 LEU HB3 . 10031 1 1201 . 1 1 98 98 LEU HG H 1 1.570 0.030 . 1 . . . . 98 LEU HG . 10031 1 1202 . 1 1 98 98 LEU HD11 H 1 1.046 0.030 . 1 . . . . 98 LEU HD1 . 10031 1 1203 . 1 1 98 98 LEU HD12 H 1 1.046 0.030 . 1 . . . . 98 LEU HD1 . 10031 1 1204 . 1 1 98 98 LEU HD13 H 1 1.046 0.030 . 1 . . . . 98 LEU HD1 . 10031 1 1205 . 1 1 98 98 LEU HD21 H 1 0.600 0.030 . 1 . . . . 98 LEU HD2 . 10031 1 1206 . 1 1 98 98 LEU HD22 H 1 0.600 0.030 . 1 . . . . 98 LEU HD2 . 10031 1 1207 . 1 1 98 98 LEU HD23 H 1 0.600 0.030 . 1 . . . . 98 LEU HD2 . 10031 1 1208 . 1 1 98 98 LEU C C 13 177.904 0.300 . 1 . . . . 98 LEU C . 10031 1 1209 . 1 1 98 98 LEU CA C 13 58.592 0.300 . 1 . . . . 98 LEU CA . 10031 1 1210 . 1 1 98 98 LEU CB C 13 41.486 0.300 . 1 . . . . 98 LEU CB . 10031 1 1211 . 1 1 98 98 LEU CG C 13 27.215 0.300 . 1 . . . . 98 LEU CG . 10031 1 1212 . 1 1 98 98 LEU CD1 C 13 25.954 0.300 . 2 . . . . 98 LEU CD1 . 10031 1 1213 . 1 1 98 98 LEU CD2 C 13 23.037 0.300 . 2 . . . . 98 LEU CD2 . 10031 1 1214 . 1 1 98 98 LEU N N 15 125.846 0.300 . 1 . . . . 98 LEU N . 10031 1 1215 . 1 1 99 99 GLU H H 1 8.212 0.030 . 1 . . . . 99 GLU H . 10031 1 1216 . 1 1 99 99 GLU HA H 1 3.913 0.030 . 1 . . . . 99 GLU HA . 10031 1 1217 . 1 1 99 99 GLU HB2 H 1 2.118 0.030 . 2 . . . . 99 GLU HB2 . 10031 1 1218 . 1 1 99 99 GLU HB3 H 1 2.207 0.030 . 2 . . . . 99 GLU HB3 . 10031 1 1219 . 1 1 99 99 GLU HG2 H 1 2.329 0.030 . 2 . . . . 99 GLU HG2 . 10031 1 1220 . 1 1 99 99 GLU HG3 H 1 2.576 0.030 . 2 . . . . 99 GLU HG3 . 10031 1 1221 . 1 1 99 99 GLU C C 13 179.597 0.300 . 1 . . . . 99 GLU C . 10031 1 1222 . 1 1 99 99 GLU CA C 13 59.936 0.300 . 1 . . . . 99 GLU CA . 10031 1 1223 . 1 1 99 99 GLU CB C 13 29.442 0.300 . 1 . . . . 99 GLU CB . 10031 1 1224 . 1 1 99 99 GLU CG C 13 36.640 0.300 . 1 . . . . 99 GLU CG . 10031 1 1225 . 1 1 99 99 GLU N N 15 117.335 0.300 . 1 . . . . 99 GLU N . 10031 1 1226 . 1 1 100 100 LYS H H 1 7.907 0.030 . 1 . . . . 100 LYS H . 10031 1 1227 . 1 1 100 100 LYS HA H 1 4.100 0.030 . 1 . . . . 100 LYS HA . 10031 1 1228 . 1 1 100 100 LYS HB2 H 1 2.016 0.030 . 1 . . . . 100 LYS HB2 . 10031 1 1229 . 1 1 100 100 LYS HB3 H 1 2.016 0.030 . 1 . . . . 100 LYS HB3 . 10031 1 1230 . 1 1 100 100 LYS HG2 H 1 1.627 0.030 . 2 . . . . 100 LYS HG2 . 10031 1 1231 . 1 1 100 100 LYS HG3 H 1 1.538 0.030 . 2 . . . . 100 LYS HG3 . 10031 1 1232 . 1 1 100 100 LYS HD2 H 1 1.756 0.030 . 2 . . . . 100 LYS HD2 . 10031 1 1233 . 1 1 100 100 LYS HE2 H 1 3.051 0.030 . 2 . . . . 100 LYS HE2 . 10031 1 1234 . 1 1 100 100 LYS C C 13 178.886 0.300 . 1 . . . . 100 LYS C . 10031 1 1235 . 1 1 100 100 LYS CA C 13 59.485 0.300 . 1 . . . . 100 LYS CA . 10031 1 1236 . 1 1 100 100 LYS CB C 13 32.565 0.300 . 1 . . . . 100 LYS CB . 10031 1 1237 . 1 1 100 100 LYS CG C 13 25.050 0.300 . 1 . . . . 100 LYS CG . 10031 1 1238 . 1 1 100 100 LYS CD C 13 29.137 0.300 . 1 . . . . 100 LYS CD . 10031 1 1239 . 1 1 100 100 LYS CE C 13 42.383 0.300 . 1 . . . . 100 LYS CE . 10031 1 1240 . 1 1 100 100 LYS N N 15 118.066 0.300 . 1 . . . . 100 LYS N . 10031 1 1241 . 1 1 101 101 SER H H 1 8.142 0.030 . 1 . . . . 101 SER H . 10031 1 1242 . 1 1 101 101 SER HA H 1 4.298 0.030 . 1 . . . . 101 SER HA . 10031 1 1243 . 1 1 101 101 SER HB2 H 1 4.008 0.030 . 2 . . . . 101 SER HB2 . 10031 1 1244 . 1 1 101 101 SER HB3 H 1 3.777 0.030 . 2 . . . . 101 SER HB3 . 10031 1 1245 . 1 1 101 101 SER C C 13 175.449 0.300 . 1 . . . . 101 SER C . 10031 1 1246 . 1 1 101 101 SER CA C 13 62.870 0.300 . 1 . . . . 101 SER CA . 10031 1 1247 . 1 1 101 101 SER CB C 13 63.329 0.300 . 1 . . . . 101 SER CB . 10031 1 1248 . 1 1 101 101 SER N N 15 116.408 0.300 . 1 . . . . 101 SER N . 10031 1 1249 . 1 1 102 102 LEU H H 1 8.187 0.030 . 1 . . . . 102 LEU H . 10031 1 1250 . 1 1 102 102 LEU HA H 1 4.002 0.030 . 1 . . . . 102 LEU HA . 10031 1 1251 . 1 1 102 102 LEU HB2 H 1 1.897 0.030 . 2 . . . . 102 LEU HB2 . 10031 1 1252 . 1 1 102 102 LEU HB3 H 1 1.368 0.030 . 2 . . . . 102 LEU HB3 . 10031 1 1253 . 1 1 102 102 LEU HG H 1 1.772 0.030 . 1 . . . . 102 LEU HG . 10031 1 1254 . 1 1 102 102 LEU HD11 H 1 0.835 0.030 . 1 . . . . 102 LEU HD1 . 10031 1 1255 . 1 1 102 102 LEU HD12 H 1 0.835 0.030 . 1 . . . . 102 LEU HD1 . 10031 1 1256 . 1 1 102 102 LEU HD13 H 1 0.835 0.030 . 1 . . . . 102 LEU HD1 . 10031 1 1257 . 1 1 102 102 LEU HD21 H 1 0.683 0.030 . 1 . . . . 102 LEU HD2 . 10031 1 1258 . 1 1 102 102 LEU HD22 H 1 0.683 0.030 . 1 . . . . 102 LEU HD2 . 10031 1 1259 . 1 1 102 102 LEU HD23 H 1 0.683 0.030 . 1 . . . . 102 LEU HD2 . 10031 1 1260 . 1 1 102 102 LEU C C 13 180.594 0.300 . 1 . . . . 102 LEU C . 10031 1 1261 . 1 1 102 102 LEU CA C 13 57.828 0.300 . 1 . . . . 102 LEU CA . 10031 1 1262 . 1 1 102 102 LEU CB C 13 41.334 0.300 . 1 . . . . 102 LEU CB . 10031 1 1263 . 1 1 102 102 LEU CG C 13 26.519 0.300 . 1 . . . . 102 LEU CG . 10031 1 1264 . 1 1 102 102 LEU CD1 C 13 25.757 0.300 . 2 . . . . 102 LEU CD1 . 10031 1 1265 . 1 1 102 102 LEU CD2 C 13 22.202 0.300 . 2 . . . . 102 LEU CD2 . 10031 1 1266 . 1 1 102 102 LEU N N 15 120.498 0.300 . 1 . . . . 102 LEU N . 10031 1 1267 . 1 1 103 103 ILE H H 1 7.378 0.030 . 1 . . . . 103 ILE H . 10031 1 1268 . 1 1 103 103 ILE HA H 1 3.815 0.030 . 1 . . . . 103 ILE HA . 10031 1 1269 . 1 1 103 103 ILE HB H 1 2.102 0.030 . 1 . . . . 103 ILE HB . 10031 1 1270 . 1 1 103 103 ILE HG12 H 1 1.751 0.030 . 2 . . . . 103 ILE HG12 . 10031 1 1271 . 1 1 103 103 ILE HG13 H 1 1.210 0.030 . 2 . . . . 103 ILE HG13 . 10031 1 1272 . 1 1 103 103 ILE HG21 H 1 0.967 0.030 . 1 . . . . 103 ILE HG2 . 10031 1 1273 . 1 1 103 103 ILE HG22 H 1 0.967 0.030 . 1 . . . . 103 ILE HG2 . 10031 1 1274 . 1 1 103 103 ILE HG23 H 1 0.967 0.030 . 1 . . . . 103 ILE HG2 . 10031 1 1275 . 1 1 103 103 ILE HD11 H 1 0.897 0.030 . 1 . . . . 103 ILE HD1 . 10031 1 1276 . 1 1 103 103 ILE HD12 H 1 0.897 0.030 . 1 . . . . 103 ILE HD1 . 10031 1 1277 . 1 1 103 103 ILE HD13 H 1 0.897 0.030 . 1 . . . . 103 ILE HD1 . 10031 1 1278 . 1 1 103 103 ILE C C 13 178.930 0.300 . 1 . . . . 103 ILE C . 10031 1 1279 . 1 1 103 103 ILE CA C 13 64.545 0.300 . 1 . . . . 103 ILE CA . 10031 1 1280 . 1 1 103 103 ILE CB C 13 37.862 0.300 . 1 . . . . 103 ILE CB . 10031 1 1281 . 1 1 103 103 ILE CG1 C 13 28.947 0.300 . 1 . . . . 103 ILE CG1 . 10031 1 1282 . 1 1 103 103 ILE CG2 C 13 17.251 0.300 . 1 . . . . 103 ILE CG2 . 10031 1 1283 . 1 1 103 103 ILE CD1 C 13 12.897 0.300 . 1 . . . . 103 ILE CD1 . 10031 1 1284 . 1 1 103 103 ILE N N 15 121.278 0.300 . 1 . . . . 103 ILE N . 10031 1 1285 . 1 1 104 104 ASP H H 1 8.127 0.030 . 1 . . . . 104 ASP H . 10031 1 1286 . 1 1 104 104 ASP HA H 1 4.443 0.030 . 1 . . . . 104 ASP HA . 10031 1 1287 . 1 1 104 104 ASP HB2 H 1 2.829 0.030 . 2 . . . . 104 ASP HB2 . 10031 1 1288 . 1 1 104 104 ASP HB3 H 1 2.778 0.030 . 2 . . . . 104 ASP HB3 . 10031 1 1289 . 1 1 104 104 ASP C C 13 179.088 0.300 . 1 . . . . 104 ASP C . 10031 1 1290 . 1 1 104 104 ASP CA C 13 57.599 0.300 . 1 . . . . 104 ASP CA . 10031 1 1291 . 1 1 104 104 ASP CB C 13 40.292 0.300 . 1 . . . . 104 ASP CB . 10031 1 1292 . 1 1 104 104 ASP N N 15 122.231 0.300 . 1 . . . . 104 ASP N . 10031 1 1293 . 1 1 105 105 ALA H H 1 8.617 0.030 . 1 . . . . 105 ALA H . 10031 1 1294 . 1 1 105 105 ALA HA H 1 4.170 0.030 . 1 . . . . 105 ALA HA . 10031 1 1295 . 1 1 105 105 ALA HB1 H 1 1.546 0.030 . 1 . . . . 105 ALA HB . 10031 1 1296 . 1 1 105 105 ALA HB2 H 1 1.546 0.030 . 1 . . . . 105 ALA HB . 10031 1 1297 . 1 1 105 105 ALA HB3 H 1 1.546 0.030 . 1 . . . . 105 ALA HB . 10031 1 1298 . 1 1 105 105 ALA C C 13 178.805 0.300 . 1 . . . . 105 ALA C . 10031 1 1299 . 1 1 105 105 ALA CA C 13 54.549 0.300 . 1 . . . . 105 ALA CA . 10031 1 1300 . 1 1 105 105 ALA CB C 13 18.969 0.300 . 1 . . . . 105 ALA CB . 10031 1 1301 . 1 1 105 105 ALA N N 15 121.985 0.300 . 1 . . . . 105 ALA N . 10031 1 1302 . 1 1 106 106 ALA H H 1 7.243 0.030 . 1 . . . . 106 ALA H . 10031 1 1303 . 1 1 106 106 ALA HA H 1 4.176 0.030 . 1 . . . . 106 ALA HA . 10031 1 1304 . 1 1 106 106 ALA HB1 H 1 1.488 0.030 . 1 . . . . 106 ALA HB . 10031 1 1305 . 1 1 106 106 ALA HB2 H 1 1.488 0.030 . 1 . . . . 106 ALA HB . 10031 1 1306 . 1 1 106 106 ALA HB3 H 1 1.488 0.030 . 1 . . . . 106 ALA HB . 10031 1 1307 . 1 1 106 106 ALA C C 13 179.290 0.300 . 1 . . . . 106 ALA C . 10031 1 1308 . 1 1 106 106 ALA CA C 13 53.362 0.300 . 1 . . . . 106 ALA CA . 10031 1 1309 . 1 1 106 106 ALA CB C 13 18.433 0.300 . 1 . . . . 106 ALA CB . 10031 1 1310 . 1 1 106 106 ALA N N 15 117.034 0.300 . 1 . . . . 106 ALA N . 10031 1 1311 . 1 1 107 107 LYS H H 1 7.539 0.030 . 1 . . . . 107 LYS H . 10031 1 1312 . 1 1 107 107 LYS HA H 1 3.957 0.030 . 1 . . . . 107 LYS HA . 10031 1 1313 . 1 1 107 107 LYS HB2 H 1 1.709 0.030 . 2 . . . . 107 LYS HB2 . 10031 1 1314 . 1 1 107 107 LYS HB3 H 1 1.398 0.030 . 2 . . . . 107 LYS HB3 . 10031 1 1315 . 1 1 107 107 LYS HG2 H 1 1.111 0.030 . 2 . . . . 107 LYS HG2 . 10031 1 1316 . 1 1 107 107 LYS HG3 H 1 1.427 0.030 . 2 . . . . 107 LYS HG3 . 10031 1 1317 . 1 1 107 107 LYS HD2 H 1 1.637 0.030 . 1 . . . . 107 LYS HD2 . 10031 1 1318 . 1 1 107 107 LYS HD3 H 1 1.637 0.030 . 1 . . . . 107 LYS HD3 . 10031 1 1319 . 1 1 107 107 LYS HE2 H 1 2.922 0.030 . 2 . . . . 107 LYS HE2 . 10031 1 1320 . 1 1 107 107 LYS C C 13 176.648 0.300 . 1 . . . . 107 LYS C . 10031 1 1321 . 1 1 107 107 LYS CA C 13 58.252 0.300 . 1 . . . . 107 LYS CA . 10031 1 1322 . 1 1 107 107 LYS CB C 13 33.204 0.300 . 1 . . . . 107 LYS CB . 10031 1 1323 . 1 1 107 107 LYS CG C 13 25.273 0.300 . 1 . . . . 107 LYS CG . 10031 1 1324 . 1 1 107 107 LYS CD C 13 29.408 0.300 . 1 . . . . 107 LYS CD . 10031 1 1325 . 1 1 107 107 LYS CE C 13 42.256 0.300 . 1 . . . . 107 LYS CE . 10031 1 1326 . 1 1 107 107 LYS N N 15 117.769 0.300 . 1 . . . . 107 LYS N . 10031 1 1327 . 1 1 108 108 PHE H H 1 7.531 0.030 . 1 . . . . 108 PHE H . 10031 1 1328 . 1 1 108 108 PHE HA H 1 5.068 0.030 . 1 . . . . 108 PHE HA . 10031 1 1329 . 1 1 108 108 PHE HB2 H 1 3.210 0.030 . 2 . . . . 108 PHE HB2 . 10031 1 1330 . 1 1 108 108 PHE HB3 H 1 2.923 0.030 . 2 . . . . 108 PHE HB3 . 10031 1 1331 . 1 1 108 108 PHE HD1 H 1 7.358 0.030 . 1 . . . . 108 PHE HD1 . 10031 1 1332 . 1 1 108 108 PHE HD2 H 1 7.358 0.030 . 1 . . . . 108 PHE HD2 . 10031 1 1333 . 1 1 108 108 PHE HE1 H 1 7.342 0.030 . 1 . . . . 108 PHE HE1 . 10031 1 1334 . 1 1 108 108 PHE HE2 H 1 7.342 0.030 . 1 . . . . 108 PHE HE2 . 10031 1 1335 . 1 1 108 108 PHE HZ H 1 7.288 0.030 . 1 . . . . 108 PHE HZ . 10031 1 1336 . 1 1 108 108 PHE C C 13 172.243 0.300 . 1 . . . . 108 PHE C . 10031 1 1337 . 1 1 108 108 PHE CA C 13 54.836 0.300 . 1 . . . . 108 PHE CA . 10031 1 1338 . 1 1 108 108 PHE CB C 13 39.369 0.300 . 1 . . . . 108 PHE CB . 10031 1 1339 . 1 1 108 108 PHE CD1 C 13 132.896 0.300 . 1 . . . . 108 PHE CD1 . 10031 1 1340 . 1 1 108 108 PHE CD2 C 13 132.896 0.300 . 1 . . . . 108 PHE CD2 . 10031 1 1341 . 1 1 108 108 PHE CE1 C 13 131.045 0.300 . 1 . . . . 108 PHE CE1 . 10031 1 1342 . 1 1 108 108 PHE CE2 C 13 131.045 0.300 . 1 . . . . 108 PHE CE2 . 10031 1 1343 . 1 1 108 108 PHE CZ C 13 129.332 0.300 . 1 . . . . 108 PHE CZ . 10031 1 1344 . 1 1 108 108 PHE N N 15 116.694 0.300 . 1 . . . . 108 PHE N . 10031 1 1345 . 1 1 109 109 PRO HA H 1 4.730 0.030 . 1 . . . . 109 PRO HA . 10031 1 1346 . 1 1 109 109 PRO HB2 H 1 2.315 0.030 . 2 . . . . 109 PRO HB2 . 10031 1 1347 . 1 1 109 109 PRO HB3 H 1 1.936 0.030 . 2 . . . . 109 PRO HB3 . 10031 1 1348 . 1 1 109 109 PRO HG2 H 1 2.013 0.030 . 1 . . . . 109 PRO HG2 . 10031 1 1349 . 1 1 109 109 PRO HG3 H 1 2.013 0.030 . 1 . . . . 109 PRO HG3 . 10031 1 1350 . 1 1 109 109 PRO HD2 H 1 3.496 0.030 . 2 . . . . 109 PRO HD2 . 10031 1 1351 . 1 1 109 109 PRO HD3 H 1 3.421 0.030 . 2 . . . . 109 PRO HD3 . 10031 1 1352 . 1 1 109 109 PRO C C 13 178.130 0.300 . 1 . . . . 109 PRO C . 10031 1 1353 . 1 1 109 109 PRO CA C 13 63.329 0.300 . 1 . . . . 109 PRO CA . 10031 1 1354 . 1 1 109 109 PRO CB C 13 32.138 0.300 . 1 . . . . 109 PRO CB . 10031 1 1355 . 1 1 109 109 PRO CG C 13 27.306 0.300 . 1 . . . . 109 PRO CG . 10031 1 1356 . 1 1 109 109 PRO CD C 13 49.996 0.300 . 1 . . . . 109 PRO CD . 10031 1 1357 . 1 1 110 110 LEU H H 1 8.482 0.030 . 1 . . . . 110 LEU H . 10031 1 1358 . 1 1 110 110 LEU HA H 1 4.790 0.030 . 1 . . . . 110 LEU HA . 10031 1 1359 . 1 1 110 110 LEU HB2 H 1 1.911 0.030 . 2 . . . . 110 LEU HB2 . 10031 1 1360 . 1 1 110 110 LEU HB3 H 1 1.550 0.030 . 2 . . . . 110 LEU HB3 . 10031 1 1361 . 1 1 110 110 LEU HG H 1 1.942 0.030 . 1 . . . . 110 LEU HG . 10031 1 1362 . 1 1 110 110 LEU HD11 H 1 1.088 0.030 . 1 . . . . 110 LEU HD1 . 10031 1 1363 . 1 1 110 110 LEU HD12 H 1 1.088 0.030 . 1 . . . . 110 LEU HD1 . 10031 1 1364 . 1 1 110 110 LEU HD13 H 1 1.088 0.030 . 1 . . . . 110 LEU HD1 . 10031 1 1365 . 1 1 110 110 LEU HD21 H 1 1.113 0.030 . 1 . . . . 110 LEU HD2 . 10031 1 1366 . 1 1 110 110 LEU HD22 H 1 1.113 0.030 . 1 . . . . 110 LEU HD2 . 10031 1 1367 . 1 1 110 110 LEU HD23 H 1 1.113 0.030 . 1 . . . . 110 LEU HD2 . 10031 1 1368 . 1 1 110 110 LEU C C 13 175.594 0.300 . 1 . . . . 110 LEU C . 10031 1 1369 . 1 1 110 110 LEU CA C 13 52.927 0.300 . 1 . . . . 110 LEU CA . 10031 1 1370 . 1 1 110 110 LEU CB C 13 42.663 0.300 . 1 . . . . 110 LEU CB . 10031 1 1371 . 1 1 110 110 LEU CG C 13 27.298 0.300 . 1 . . . . 110 LEU CG . 10031 1 1372 . 1 1 110 110 LEU CD1 C 13 26.496 0.300 . 2 . . . . 110 LEU CD1 . 10031 1 1373 . 1 1 110 110 LEU CD2 C 13 25.630 0.300 . 2 . . . . 110 LEU CD2 . 10031 1 1374 . 1 1 110 110 LEU N N 15 124.496 0.300 . 1 . . . . 110 LEU N . 10031 1 1375 . 1 1 111 111 PRO HA H 1 4.541 0.030 . 1 . . . . 111 PRO HA . 10031 1 1376 . 1 1 111 111 PRO HB2 H 1 2.532 0.030 . 2 . . . . 111 PRO HB2 . 10031 1 1377 . 1 1 111 111 PRO HB3 H 1 2.019 0.030 . 2 . . . . 111 PRO HB3 . 10031 1 1378 . 1 1 111 111 PRO HG2 H 1 2.182 0.030 . 2 . . . . 111 PRO HG2 . 10031 1 1379 . 1 1 111 111 PRO HG3 H 1 2.122 0.030 . 2 . . . . 111 PRO HG3 . 10031 1 1380 . 1 1 111 111 PRO HD2 H 1 3.505 0.030 . 2 . . . . 111 PRO HD2 . 10031 1 1381 . 1 1 111 111 PRO HD3 H 1 4.120 0.030 . 2 . . . . 111 PRO HD3 . 10031 1 1382 . 1 1 111 111 PRO C C 13 177.122 0.300 . 1 . . . . 111 PRO C . 10031 1 1383 . 1 1 111 111 PRO CA C 13 63.005 0.300 . 1 . . . . 111 PRO CA . 10031 1 1384 . 1 1 111 111 PRO CB C 13 32.396 0.300 . 1 . . . . 111 PRO CB . 10031 1 1385 . 1 1 111 111 PRO CG C 13 28.258 0.300 . 1 . . . . 111 PRO CG . 10031 1 1386 . 1 1 111 111 PRO CD C 13 50.765 0.300 . 1 . . . . 111 PRO CD . 10031 1 1387 . 1 1 112 112 MET H H 1 8.655 0.030 . 1 . . . . 112 MET H . 10031 1 1388 . 1 1 112 112 MET HA H 1 4.474 0.030 . 1 . . . . 112 MET HA . 10031 1 1389 . 1 1 112 112 MET HB2 H 1 2.179 0.030 . 2 . . . . 112 MET HB2 . 10031 1 1390 . 1 1 112 112 MET HB3 H 1 2.146 0.030 . 2 . . . . 112 MET HB3 . 10031 1 1391 . 1 1 112 112 MET HG2 H 1 2.821 0.030 . 2 . . . . 112 MET HG2 . 10031 1 1392 . 1 1 112 112 MET HG3 H 1 2.769 0.030 . 2 . . . . 112 MET HG3 . 10031 1 1393 . 1 1 112 112 MET HE1 H 1 2.149 0.030 . 1 . . . . 112 MET HE . 10031 1 1394 . 1 1 112 112 MET HE2 H 1 2.149 0.030 . 1 . . . . 112 MET HE . 10031 1 1395 . 1 1 112 112 MET HE3 H 1 2.149 0.030 . 1 . . . . 112 MET HE . 10031 1 1396 . 1 1 112 112 MET C C 13 178.557 0.300 . 1 . . . . 112 MET C . 10031 1 1397 . 1 1 112 112 MET CA C 13 57.316 0.300 . 1 . . . . 112 MET CA . 10031 1 1398 . 1 1 112 112 MET CB C 13 31.762 0.300 . 1 . . . . 112 MET CB . 10031 1 1399 . 1 1 112 112 MET CG C 13 32.498 0.300 . 1 . . . . 112 MET CG . 10031 1 1400 . 1 1 112 112 MET CE C 13 17.022 0.300 . 1 . . . . 112 MET CE . 10031 1 1401 . 1 1 112 112 MET N N 15 121.464 0.300 . 1 . . . . 112 MET N . 10031 1 1402 . 1 1 113 113 GLU H H 1 9.140 0.030 . 1 . . . . 113 GLU H . 10031 1 1403 . 1 1 113 113 GLU HA H 1 4.074 0.030 . 1 . . . . 113 GLU HA . 10031 1 1404 . 1 1 113 113 GLU HB2 H 1 1.959 0.030 . 2 . . . . 113 GLU HB2 . 10031 1 1405 . 1 1 113 113 GLU HB3 H 1 2.037 0.030 . 2 . . . . 113 GLU HB3 . 10031 1 1406 . 1 1 113 113 GLU HG2 H 1 2.210 0.030 . 2 . . . . 113 GLU HG2 . 10031 1 1407 . 1 1 113 113 GLU HG3 H 1 2.290 0.030 . 2 . . . . 113 GLU HG3 . 10031 1 1408 . 1 1 113 113 GLU C C 13 177.425 0.300 . 1 . . . . 113 GLU C . 10031 1 1409 . 1 1 113 113 GLU CA C 13 59.221 0.300 . 1 . . . . 113 GLU CA . 10031 1 1410 . 1 1 113 113 GLU CB C 13 29.403 0.300 . 1 . . . . 113 GLU CB . 10031 1 1411 . 1 1 113 113 GLU CG C 13 36.759 0.300 . 1 . . . . 113 GLU CG . 10031 1 1412 . 1 1 113 113 GLU N N 15 118.593 0.300 . 1 . . . . 113 GLU N . 10031 1 1413 . 1 1 114 114 VAL H H 1 7.548 0.030 . 1 . . . . 114 VAL H . 10031 1 1414 . 1 1 114 114 VAL HA H 1 3.596 0.030 . 1 . . . . 114 VAL HA . 10031 1 1415 . 1 1 114 114 VAL HB H 1 1.785 0.030 . 1 . . . . 114 VAL HB . 10031 1 1416 . 1 1 114 114 VAL HG11 H 1 0.320 0.030 . 1 . . . . 114 VAL HG1 . 10031 1 1417 . 1 1 114 114 VAL HG12 H 1 0.320 0.030 . 1 . . . . 114 VAL HG1 . 10031 1 1418 . 1 1 114 114 VAL HG13 H 1 0.320 0.030 . 1 . . . . 114 VAL HG1 . 10031 1 1419 . 1 1 114 114 VAL HG21 H 1 0.712 0.030 . 1 . . . . 114 VAL HG2 . 10031 1 1420 . 1 1 114 114 VAL HG22 H 1 0.712 0.030 . 1 . . . . 114 VAL HG2 . 10031 1 1421 . 1 1 114 114 VAL HG23 H 1 0.712 0.030 . 1 . . . . 114 VAL HG2 . 10031 1 1422 . 1 1 114 114 VAL C C 13 175.158 0.300 . 1 . . . . 114 VAL C . 10031 1 1423 . 1 1 114 114 VAL CA C 13 65.039 0.300 . 1 . . . . 114 VAL CA . 10031 1 1424 . 1 1 114 114 VAL CB C 13 31.752 0.300 . 1 . . . . 114 VAL CB . 10031 1 1425 . 1 1 114 114 VAL CG1 C 13 21.152 0.300 . 2 . . . . 114 VAL CG1 . 10031 1 1426 . 1 1 114 114 VAL CG2 C 13 22.772 0.300 . 2 . . . . 114 VAL CG2 . 10031 1 1427 . 1 1 114 114 VAL N N 15 116.898 0.300 . 1 . . . . 114 VAL N . 10031 1 1428 . 1 1 115 115 PHE H H 1 7.463 0.030 . 1 . . . . 115 PHE H . 10031 1 1429 . 1 1 115 115 PHE HA H 1 4.631 0.030 . 1 . . . . 115 PHE HA . 10031 1 1430 . 1 1 115 115 PHE HB2 H 1 3.282 0.030 . 2 . . . . 115 PHE HB2 . 10031 1 1431 . 1 1 115 115 PHE HB3 H 1 2.761 0.030 . 2 . . . . 115 PHE HB3 . 10031 1 1432 . 1 1 115 115 PHE HD1 H 1 7.149 0.030 . 1 . . . . 115 PHE HD1 . 10031 1 1433 . 1 1 115 115 PHE HD2 H 1 7.149 0.030 . 1 . . . . 115 PHE HD2 . 10031 1 1434 . 1 1 115 115 PHE HE1 H 1 7.074 0.030 . 1 . . . . 115 PHE HE1 . 10031 1 1435 . 1 1 115 115 PHE HE2 H 1 7.074 0.030 . 1 . . . . 115 PHE HE2 . 10031 1 1436 . 1 1 115 115 PHE HZ H 1 7.082 0.030 . 1 . . . . 115 PHE HZ . 10031 1 1437 . 1 1 115 115 PHE C C 13 176.234 0.300 . 1 . . . . 115 PHE C . 10031 1 1438 . 1 1 115 115 PHE CA C 13 57.564 0.300 . 1 . . . . 115 PHE CA . 10031 1 1439 . 1 1 115 115 PHE CB C 13 39.590 0.300 . 1 . . . . 115 PHE CB . 10031 1 1440 . 1 1 115 115 PHE CD1 C 13 132.219 0.300 . 1 . . . . 115 PHE CD1 . 10031 1 1441 . 1 1 115 115 PHE CD2 C 13 132.219 0.300 . 1 . . . . 115 PHE CD2 . 10031 1 1442 . 1 1 115 115 PHE CE1 C 13 131.022 0.300 . 1 . . . . 115 PHE CE1 . 10031 1 1443 . 1 1 115 115 PHE CE2 C 13 131.022 0.300 . 1 . . . . 115 PHE CE2 . 10031 1 1444 . 1 1 115 115 PHE CZ C 13 129.080 0.300 . 1 . . . . 115 PHE CZ . 10031 1 1445 . 1 1 115 115 PHE N N 15 115.658 0.300 . 1 . . . . 115 PHE N . 10031 1 1446 . 1 1 116 116 LYS H H 1 7.731 0.030 . 1 . . . . 116 LYS H . 10031 1 1447 . 1 1 116 116 LYS HA H 1 4.240 0.030 . 1 . . . . 116 LYS HA . 10031 1 1448 . 1 1 116 116 LYS HB2 H 1 1.822 0.030 . 1 . . . . 116 LYS HB2 . 10031 1 1449 . 1 1 116 116 LYS HB3 H 1 1.822 0.030 . 1 . . . . 116 LYS HB3 . 10031 1 1450 . 1 1 116 116 LYS HG2 H 1 1.443 0.030 . 1 . . . . 116 LYS HG2 . 10031 1 1451 . 1 1 116 116 LYS HG3 H 1 1.443 0.030 . 1 . . . . 116 LYS HG3 . 10031 1 1452 . 1 1 116 116 LYS HD2 H 1 1.698 0.030 . 1 . . . . 116 LYS HD2 . 10031 1 1453 . 1 1 116 116 LYS HD3 H 1 1.698 0.030 . 1 . . . . 116 LYS HD3 . 10031 1 1454 . 1 1 116 116 LYS HE2 H 1 3.016 0.030 . 1 . . . . 116 LYS HE2 . 10031 1 1455 . 1 1 116 116 LYS HE3 H 1 3.016 0.030 . 1 . . . . 116 LYS HE3 . 10031 1 1456 . 1 1 116 116 LYS C C 13 176.310 0.300 . 1 . . . . 116 LYS C . 10031 1 1457 . 1 1 116 116 LYS CA C 13 57.425 0.300 . 1 . . . . 116 LYS CA . 10031 1 1458 . 1 1 116 116 LYS CB C 13 33.245 0.300 . 1 . . . . 116 LYS CB . 10031 1 1459 . 1 1 116 116 LYS CG C 13 24.368 0.300 . 1 . . . . 116 LYS CG . 10031 1 1460 . 1 1 116 116 LYS CD C 13 29.250 0.300 . 1 . . . . 116 LYS CD . 10031 1 1461 . 1 1 116 116 LYS CE C 13 42.168 0.300 . 1 . . . . 116 LYS CE . 10031 1 1462 . 1 1 116 116 LYS N N 15 121.077 0.300 . 1 . . . . 116 LYS N . 10031 1 1463 . 1 1 117 117 ASP H H 1 8.619 0.030 . 1 . . . . 117 ASP H . 10031 1 1464 . 1 1 117 117 ASP HA H 1 4.681 0.030 . 1 . . . . 117 ASP HA . 10031 1 1465 . 1 1 117 117 ASP HB2 H 1 2.629 0.030 . 2 . . . . 117 ASP HB2 . 10031 1 1466 . 1 1 117 117 ASP HB3 H 1 2.792 0.030 . 2 . . . . 117 ASP HB3 . 10031 1 1467 . 1 1 117 117 ASP C C 13 176.234 0.300 . 1 . . . . 117 ASP C . 10031 1 1468 . 1 1 117 117 ASP CA C 13 54.638 0.300 . 1 . . . . 117 ASP CA . 10031 1 1469 . 1 1 117 117 ASP CB C 13 41.098 0.300 . 1 . . . . 117 ASP CB . 10031 1 1470 . 1 1 117 117 ASP N N 15 120.236 0.300 . 1 . . . . 117 ASP N . 10031 1 1471 . 1 1 118 118 HIS H H 1 8.175 0.030 . 1 . . . . 118 HIS H . 10031 1 1472 . 1 1 118 118 HIS HA H 1 4.529 0.030 . 1 . . . . 118 HIS HA . 10031 1 1473 . 1 1 118 118 HIS HB2 H 1 3.191 0.030 . 1 . . . . 118 HIS HB2 . 10031 1 1474 . 1 1 118 118 HIS HB3 H 1 3.191 0.030 . 1 . . . . 118 HIS HB3 . 10031 1 1475 . 1 1 118 118 HIS HD2 H 1 7.155 0.030 . 1 . . . . 118 HIS HD2 . 10031 1 1476 . 1 1 118 118 HIS HE1 H 1 8.055 0.030 . 1 . . . . 118 HIS HE1 . 10031 1 1477 . 1 1 118 118 HIS C C 13 175.276 0.300 . 1 . . . . 118 HIS C . 10031 1 1478 . 1 1 118 118 HIS CA C 13 56.722 0.300 . 1 . . . . 118 HIS CA . 10031 1 1479 . 1 1 118 118 HIS CB C 13 30.304 0.300 . 1 . . . . 118 HIS CB . 10031 1 1480 . 1 1 118 118 HIS CD2 C 13 119.762 0.300 . 1 . . . . 118 HIS CD2 . 10031 1 1481 . 1 1 118 118 HIS CE1 C 13 137.798 0.300 . 1 . . . . 118 HIS CE1 . 10031 1 1482 . 1 1 118 118 HIS N N 15 120.169 0.300 . 1 . . . . 118 HIS N . 10031 1 1483 . 1 1 119 119 ALA H H 1 8.316 0.030 . 1 . . . . 119 ALA H . 10031 1 1484 . 1 1 119 119 ALA HA H 1 4.312 0.030 . 1 . . . . 119 ALA HA . 10031 1 1485 . 1 1 119 119 ALA HB1 H 1 1.416 0.030 . 1 . . . . 119 ALA HB . 10031 1 1486 . 1 1 119 119 ALA HB2 H 1 1.416 0.030 . 1 . . . . 119 ALA HB . 10031 1 1487 . 1 1 119 119 ALA HB3 H 1 1.416 0.030 . 1 . . . . 119 ALA HB . 10031 1 1488 . 1 1 119 119 ALA C C 13 177.522 0.300 . 1 . . . . 119 ALA C . 10031 1 1489 . 1 1 119 119 ALA CA C 13 52.996 0.300 . 1 . . . . 119 ALA CA . 10031 1 1490 . 1 1 119 119 ALA CB C 13 19.484 0.300 . 1 . . . . 119 ALA CB . 10031 1 1491 . 1 1 119 119 ALA N N 15 125.002 0.300 . 1 . . . . 119 ALA N . 10031 1 1492 . 1 1 120 120 ASP H H 1 8.445 0.030 . 1 . . . . 120 ASP H . 10031 1 1493 . 1 1 120 120 ASP HA H 1 4.677 0.030 . 1 . . . . 120 ASP HA . 10031 1 1494 . 1 1 120 120 ASP HB2 H 1 2.657 0.030 . 2 . . . . 120 ASP HB2 . 10031 1 1495 . 1 1 120 120 ASP HB3 H 1 2.803 0.030 . 2 . . . . 120 ASP HB3 . 10031 1 1496 . 1 1 120 120 ASP C C 13 176.459 0.300 . 1 . . . . 120 ASP C . 10031 1 1497 . 1 1 120 120 ASP CA C 13 54.426 0.300 . 1 . . . . 120 ASP CA . 10031 1 1498 . 1 1 120 120 ASP CB C 13 41.046 0.300 . 1 . . . . 120 ASP CB . 10031 1 1499 . 1 1 120 120 ASP N N 15 119.009 0.300 . 1 . . . . 120 ASP N . 10031 1 1500 . 1 1 121 121 LEU H H 1 8.191 0.030 . 1 . . . . 121 LEU H . 10031 1 1501 . 1 1 121 121 LEU HA H 1 4.424 0.030 . 1 . . . . 121 LEU HA . 10031 1 1502 . 1 1 121 121 LEU HB2 H 1 1.682 0.030 . 1 . . . . 121 LEU HB2 . 10031 1 1503 . 1 1 121 121 LEU HB3 H 1 1.682 0.030 . 1 . . . . 121 LEU HB3 . 10031 1 1504 . 1 1 121 121 LEU HG H 1 1.654 0.030 . 1 . . . . 121 LEU HG . 10031 1 1505 . 1 1 121 121 LEU HD11 H 1 0.891 0.030 . 1 . . . . 121 LEU HD1 . 10031 1 1506 . 1 1 121 121 LEU HD12 H 1 0.891 0.030 . 1 . . . . 121 LEU HD1 . 10031 1 1507 . 1 1 121 121 LEU HD13 H 1 0.891 0.030 . 1 . . . . 121 LEU HD1 . 10031 1 1508 . 1 1 121 121 LEU HD21 H 1 0.831 0.030 . 1 . . . . 121 LEU HD2 . 10031 1 1509 . 1 1 121 121 LEU HD22 H 1 0.831 0.030 . 1 . . . . 121 LEU HD2 . 10031 1 1510 . 1 1 121 121 LEU HD23 H 1 0.831 0.030 . 1 . . . . 121 LEU HD2 . 10031 1 1511 . 1 1 121 121 LEU C C 13 177.603 0.300 . 1 . . . . 121 LEU C . 10031 1 1512 . 1 1 121 121 LEU CA C 13 55.254 0.300 . 1 . . . . 121 LEU CA . 10031 1 1513 . 1 1 121 121 LEU CB C 13 42.186 0.300 . 1 . . . . 121 LEU CB . 10031 1 1514 . 1 1 121 121 LEU CG C 13 26.986 0.300 . 1 . . . . 121 LEU CG . 10031 1 1515 . 1 1 121 121 LEU CD1 C 13 25.267 0.300 . 2 . . . . 121 LEU CD1 . 10031 1 1516 . 1 1 121 121 LEU CD2 C 13 23.327 0.300 . 2 . . . . 121 LEU CD2 . 10031 1 1517 . 1 1 121 121 LEU N N 15 122.702 0.300 . 1 . . . . 121 LEU N . 10031 1 1518 . 1 1 122 122 SER H H 1 8.316 0.030 . 1 . . . . 122 SER H . 10031 1 1519 . 1 1 122 122 SER HA H 1 4.552 0.030 . 1 . . . . 122 SER HA . 10031 1 1520 . 1 1 122 122 SER HB2 H 1 3.882 0.030 . 2 . . . . 122 SER HB2 . 10031 1 1521 . 1 1 122 122 SER HB3 H 1 3.737 0.030 . 2 . . . . 122 SER HB3 . 10031 1 1522 . 1 1 122 122 SER C C 13 174.549 0.300 . 1 . . . . 122 SER C . 10031 1 1523 . 1 1 122 122 SER CA C 13 58.604 0.300 . 1 . . . . 122 SER CA . 10031 1 1524 . 1 1 122 122 SER CB C 13 64.064 0.300 . 1 . . . . 122 SER CB . 10031 1 1525 . 1 1 122 122 SER N N 15 116.089 0.300 . 1 . . . . 122 SER N . 10031 1 1526 . 1 1 123 123 GLY H H 1 8.455 0.030 . 1 . . . . 123 GLY H . 10031 1 1527 . 1 1 123 123 GLY HA2 H 1 4.144 0.030 . 1 . . . . 123 GLY HA2 . 10031 1 1528 . 1 1 123 123 GLY HA3 H 1 4.144 0.030 . 1 . . . . 123 GLY HA3 . 10031 1 1529 . 1 1 123 123 GLY C C 13 172.898 0.300 . 1 . . . . 123 GLY C . 10031 1 1530 . 1 1 123 123 GLY CA C 13 44.993 0.300 . 1 . . . . 123 GLY CA . 10031 1 1531 . 1 1 123 123 GLY N N 15 110.948 0.300 . 1 . . . . 123 GLY N . 10031 1 1532 . 1 1 124 124 PRO HA H 1 4.501 0.030 . 1 . . . . 124 PRO HA . 10031 1 1533 . 1 1 124 124 PRO HB2 H 1 2.309 0.030 . 2 . . . . 124 PRO HB2 . 10031 1 1534 . 1 1 124 124 PRO HB3 H 1 1.993 0.030 . 2 . . . . 124 PRO HB3 . 10031 1 1535 . 1 1 124 124 PRO HG2 H 1 2.025 0.030 . 1 . . . . 124 PRO HG2 . 10031 1 1536 . 1 1 124 124 PRO HG3 H 1 2.025 0.030 . 1 . . . . 124 PRO HG3 . 10031 1 1537 . 1 1 124 124 PRO HD2 H 1 3.632 0.030 . 1 . . . . 124 PRO HD2 . 10031 1 1538 . 1 1 124 124 PRO HD3 H 1 3.632 0.030 . 1 . . . . 124 PRO HD3 . 10031 1 1539 . 1 1 124 124 PRO C C 13 177.452 0.300 . 1 . . . . 124 PRO C . 10031 1 1540 . 1 1 124 124 PRO CA C 13 63.291 0.300 . 1 . . . . 124 PRO CA . 10031 1 1541 . 1 1 124 124 PRO CB C 13 32.229 0.300 . 1 . . . . 124 PRO CB . 10031 1 1542 . 1 1 124 124 PRO CG C 13 27.215 0.300 . 1 . . . . 124 PRO CG . 10031 1 1543 . 1 1 124 124 PRO CD C 13 49.831 0.300 . 1 . . . . 124 PRO CD . 10031 1 1544 . 1 1 125 125 SER H H 1 8.523 0.030 . 1 . . . . 125 SER H . 10031 1 1545 . 1 1 125 125 SER HA H 1 4.521 0.030 . 1 . . . . 125 SER HA . 10031 1 1546 . 1 1 125 125 SER HB2 H 1 3.928 0.030 . 2 . . . . 125 SER HB2 . 10031 1 1547 . 1 1 125 125 SER C C 13 174.743 0.300 . 1 . . . . 125 SER C . 10031 1 1548 . 1 1 125 125 SER CA C 13 58.357 0.300 . 1 . . . . 125 SER CA . 10031 1 1549 . 1 1 125 125 SER CB C 13 63.899 0.300 . 1 . . . . 125 SER CB . 10031 1 1550 . 1 1 125 125 SER N N 15 116.410 0.300 . 1 . . . . 125 SER N . 10031 1 1551 . 1 1 126 126 SER H H 1 8.343 0.030 . 1 . . . . 126 SER H . 10031 1 1552 . 1 1 126 126 SER HA H 1 4.506 0.030 . 1 . . . . 126 SER HA . 10031 1 1553 . 1 1 126 126 SER HB2 H 1 3.897 0.030 . 2 . . . . 126 SER HB2 . 10031 1 1554 . 1 1 126 126 SER C C 13 173.971 0.300 . 1 . . . . 126 SER C . 10031 1 1555 . 1 1 126 126 SER CA C 13 58.410 0.300 . 1 . . . . 126 SER CA . 10031 1 1556 . 1 1 126 126 SER CB C 13 64.023 0.300 . 1 . . . . 126 SER CB . 10031 1 1557 . 1 1 126 126 SER N N 15 117.926 0.300 . 1 . . . . 126 SER N . 10031 1 1558 . 1 1 127 127 GLY H H 1 8.050 0.030 . 1 . . . . 127 GLY H . 10031 1 1559 . 1 1 127 127 GLY C C 13 179.066 0.300 . 1 . . . . 127 GLY C . 10031 1 1560 . 1 1 127 127 GLY CA C 13 46.263 0.300 . 1 . . . . 127 GLY CA . 10031 1 1561 . 1 1 127 127 GLY N N 15 116.885 0.300 . 1 . . . . 127 GLY N . 10031 1 stop_ save_