data_10006 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10006 _Entry.Title ; SOLUTION STRUCTURE OF FIBRONECTIN TYPE III DOMAIN OF MOUSE HYPOTHETICAL PROTEIN ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-10-14 _Entry.Accession_date 2005-10-14 _Entry.Last_release_date 2006-10-23 _Entry.Original_release_date 2006-10-23 _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 N. Tochio . . . 10006 2 S. Koshiba . . . 10006 3 M. Inoue . . . 10006 4 T. Kigawa . . . 10006 5 S. Yokoyama . . . 10006 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10006 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 508 10006 '15N chemical shifts' 103 10006 '1H chemical shifts' 778 10006 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 . . 2006-10-23 2005-10-14 original author . 10006 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WFU 'BMRB Entry Tracking System' 10006 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10006 _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 fibronectin type III domain of mouse hypothetical 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 N. Tochio . . . 10006 1 2 S. Koshiba . . . 10006 1 3 M. Inoue . . . 10006 1 4 T. Kigawa . . . 10006 1 5 S. Yokoyama . . . 10006 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'FN3 domain' 10006 1 'similar to 1700007B22Rik protein' 10006 1 'structural genomics' 10006 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10006 _Assembly.ID 1 _Assembly.Name 'FN3 domain of HYPOTHETICAL 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' 10006 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 'FN3 domain' 1 $FN3_domain . . yes native no no . . . 10006 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 1WFU . . . . . . 10006 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FN3_domain _Entity.Sf_category entity _Entity.Sf_framecode FN3_domain _Entity.Entry_ID 10006 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FN3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMEPHKVVPLSKPH PPVVGKVTHHSIELYWDLEQ KEKRQGPQEQWLRFSIEEED PKMHSYGVIYTGYATRHVVE GLEPRTLYKFRLKVTSPSGE YEYSPVVSVATTRESGPSSG ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13500.288 _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 1WFU . "Solution Structure Of Fibronectin Type Iii Domain Of Mouse Hypothetical Protein" . . . . . 100.00 120 100.00 100.00 9.40e-79 . . . . 10006 1 2 no DBJ BAB24192 . "unnamed protein product [Mus musculus]" . . . . . 89.17 344 100.00 100.00 8.30e-70 . . . . 10006 1 3 no DBJ BAB30580 . "unnamed protein product [Mus musculus]" . . . . . 89.17 330 100.00 100.00 7.68e-70 . . . . 10006 1 4 no GB AAH46278 . "Fibronectin type 3 and ankyrin repeat domains 1 [Mus musculus]" . . . . . 89.17 344 100.00 100.00 8.30e-70 . . . . 10006 1 5 no GB AAV68048 . "germ cell-specific 1 [Mus musculus]" . . . . . 89.17 344 100.00 100.00 8.30e-70 . . . . 10006 1 6 no GB EDL17784 . "fibronectin type 3 and ankyrin repeat domains 1 [Mus musculus]" . . . . . 89.17 344 100.00 100.00 8.30e-70 . . . . 10006 1 7 no REF NP_080126 . "fibronectin type 3 and ankyrin repeat domains 1 protein [Mus musculus]" . . . . . 89.17 344 100.00 100.00 8.30e-70 . . . . 10006 1 8 no REF XP_006508183 . "PREDICTED: fibronectin type 3 and ankyrin repeat domains 1 protein isoform X1 [Mus musculus]" . . . . . 89.17 319 100.00 100.00 7.70e-70 . . . . 10006 1 9 no SP Q9DAM9 . "RecName: Full=Fibronectin type 3 and ankyrin repeat domains 1 protein; AltName: Full=Germ cell-specific gene 1 protein; Short=G" . . . . . 89.17 344 100.00 100.00 8.30e-70 . . . . 10006 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 . 10006 1 2 . SER . 10006 1 3 . SER . 10006 1 4 . GLY . 10006 1 5 . SER . 10006 1 6 . SER . 10006 1 7 . GLY . 10006 1 8 . MET . 10006 1 9 . GLU . 10006 1 10 . PRO . 10006 1 11 . HIS . 10006 1 12 . LYS . 10006 1 13 . VAL . 10006 1 14 . VAL . 10006 1 15 . PRO . 10006 1 16 . LEU . 10006 1 17 . SER . 10006 1 18 . LYS . 10006 1 19 . PRO . 10006 1 20 . HIS . 10006 1 21 . PRO . 10006 1 22 . PRO . 10006 1 23 . VAL . 10006 1 24 . VAL . 10006 1 25 . GLY . 10006 1 26 . LYS . 10006 1 27 . VAL . 10006 1 28 . THR . 10006 1 29 . HIS . 10006 1 30 . HIS . 10006 1 31 . SER . 10006 1 32 . ILE . 10006 1 33 . GLU . 10006 1 34 . LEU . 10006 1 35 . TYR . 10006 1 36 . TRP . 10006 1 37 . ASP . 10006 1 38 . LEU . 10006 1 39 . GLU . 10006 1 40 . GLN . 10006 1 41 . LYS . 10006 1 42 . GLU . 10006 1 43 . LYS . 10006 1 44 . ARG . 10006 1 45 . GLN . 10006 1 46 . GLY . 10006 1 47 . PRO . 10006 1 48 . GLN . 10006 1 49 . GLU . 10006 1 50 . GLN . 10006 1 51 . TRP . 10006 1 52 . LEU . 10006 1 53 . ARG . 10006 1 54 . PHE . 10006 1 55 . SER . 10006 1 56 . ILE . 10006 1 57 . GLU . 10006 1 58 . GLU . 10006 1 59 . GLU . 10006 1 60 . ASP . 10006 1 61 . PRO . 10006 1 62 . LYS . 10006 1 63 . MET . 10006 1 64 . HIS . 10006 1 65 . SER . 10006 1 66 . TYR . 10006 1 67 . GLY . 10006 1 68 . VAL . 10006 1 69 . ILE . 10006 1 70 . TYR . 10006 1 71 . THR . 10006 1 72 . GLY . 10006 1 73 . TYR . 10006 1 74 . ALA . 10006 1 75 . THR . 10006 1 76 . ARG . 10006 1 77 . HIS . 10006 1 78 . VAL . 10006 1 79 . VAL . 10006 1 80 . GLU . 10006 1 81 . GLY . 10006 1 82 . LEU . 10006 1 83 . GLU . 10006 1 84 . PRO . 10006 1 85 . ARG . 10006 1 86 . THR . 10006 1 87 . LEU . 10006 1 88 . TYR . 10006 1 89 . LYS . 10006 1 90 . PHE . 10006 1 91 . ARG . 10006 1 92 . LEU . 10006 1 93 . LYS . 10006 1 94 . VAL . 10006 1 95 . THR . 10006 1 96 . SER . 10006 1 97 . PRO . 10006 1 98 . SER . 10006 1 99 . GLY . 10006 1 100 . GLU . 10006 1 101 . TYR . 10006 1 102 . GLU . 10006 1 103 . TYR . 10006 1 104 . SER . 10006 1 105 . PRO . 10006 1 106 . VAL . 10006 1 107 . VAL . 10006 1 108 . SER . 10006 1 109 . VAL . 10006 1 110 . ALA . 10006 1 111 . THR . 10006 1 112 . THR . 10006 1 113 . ARG . 10006 1 114 . GLU . 10006 1 115 . SER . 10006 1 116 . GLY . 10006 1 117 . PRO . 10006 1 118 . SER . 10006 1 119 . SER . 10006 1 120 . GLY . 10006 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 10006 1 . SER 2 2 10006 1 . SER 3 3 10006 1 . GLY 4 4 10006 1 . SER 5 5 10006 1 . SER 6 6 10006 1 . GLY 7 7 10006 1 . MET 8 8 10006 1 . GLU 9 9 10006 1 . PRO 10 10 10006 1 . HIS 11 11 10006 1 . LYS 12 12 10006 1 . VAL 13 13 10006 1 . VAL 14 14 10006 1 . PRO 15 15 10006 1 . LEU 16 16 10006 1 . SER 17 17 10006 1 . LYS 18 18 10006 1 . PRO 19 19 10006 1 . HIS 20 20 10006 1 . PRO 21 21 10006 1 . PRO 22 22 10006 1 . VAL 23 23 10006 1 . VAL 24 24 10006 1 . GLY 25 25 10006 1 . LYS 26 26 10006 1 . VAL 27 27 10006 1 . THR 28 28 10006 1 . HIS 29 29 10006 1 . HIS 30 30 10006 1 . SER 31 31 10006 1 . ILE 32 32 10006 1 . GLU 33 33 10006 1 . LEU 34 34 10006 1 . TYR 35 35 10006 1 . TRP 36 36 10006 1 . ASP 37 37 10006 1 . LEU 38 38 10006 1 . GLU 39 39 10006 1 . GLN 40 40 10006 1 . LYS 41 41 10006 1 . GLU 42 42 10006 1 . LYS 43 43 10006 1 . ARG 44 44 10006 1 . GLN 45 45 10006 1 . GLY 46 46 10006 1 . PRO 47 47 10006 1 . GLN 48 48 10006 1 . GLU 49 49 10006 1 . GLN 50 50 10006 1 . TRP 51 51 10006 1 . LEU 52 52 10006 1 . ARG 53 53 10006 1 . PHE 54 54 10006 1 . SER 55 55 10006 1 . ILE 56 56 10006 1 . GLU 57 57 10006 1 . GLU 58 58 10006 1 . GLU 59 59 10006 1 . ASP 60 60 10006 1 . PRO 61 61 10006 1 . LYS 62 62 10006 1 . MET 63 63 10006 1 . HIS 64 64 10006 1 . SER 65 65 10006 1 . TYR 66 66 10006 1 . GLY 67 67 10006 1 . VAL 68 68 10006 1 . ILE 69 69 10006 1 . TYR 70 70 10006 1 . THR 71 71 10006 1 . GLY 72 72 10006 1 . TYR 73 73 10006 1 . ALA 74 74 10006 1 . THR 75 75 10006 1 . ARG 76 76 10006 1 . HIS 77 77 10006 1 . VAL 78 78 10006 1 . VAL 79 79 10006 1 . GLU 80 80 10006 1 . GLY 81 81 10006 1 . LEU 82 82 10006 1 . GLU 83 83 10006 1 . PRO 84 84 10006 1 . ARG 85 85 10006 1 . THR 86 86 10006 1 . LEU 87 87 10006 1 . TYR 88 88 10006 1 . LYS 89 89 10006 1 . PHE 90 90 10006 1 . ARG 91 91 10006 1 . LEU 92 92 10006 1 . LYS 93 93 10006 1 . VAL 94 94 10006 1 . THR 95 95 10006 1 . SER 96 96 10006 1 . PRO 97 97 10006 1 . SER 98 98 10006 1 . GLY 99 99 10006 1 . GLU 100 100 10006 1 . TYR 101 101 10006 1 . GLU 102 102 10006 1 . TYR 103 103 10006 1 . SER 104 104 10006 1 . PRO 105 105 10006 1 . VAL 106 106 10006 1 . VAL 107 107 10006 1 . SER 108 108 10006 1 . VAL 109 109 10006 1 . ALA 110 110 10006 1 . THR 111 111 10006 1 . THR 112 112 10006 1 . ARG 113 113 10006 1 . GLU 114 114 10006 1 . SER 115 115 10006 1 . GLY 116 116 10006 1 . PRO 117 117 10006 1 . SER 118 118 10006 1 . SER 119 119 10006 1 . GLY 120 120 10006 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 10006 _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 $FN3_domain . 10090 . no . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . no . . . . . . . . 10006 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $FN3_domain . BAB30580 . 12856143 . . . . 10006 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 10006 _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 $FN3_domain . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P031222-40 . . . . . . 10006 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10006 _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 'FN3 domain' '[U-13C; U-15N]' . . 1 $FN3_domain . protein 1.1 . . mM . . . . 10006 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10006 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10006 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10006 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10006 1 6 D2O . . . . . . solvent 10 . . % . . . . 10006 1 7 H2O . . . . . . solvent 90 . . % . . . . 10006 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 10006 _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' 0.12 0.001 M 10006 1 pH 7.5 0.05 pH 10006 1 pressure 1 0.03 atm 10006 1 temperature 296 0.1 K 10006 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10006 _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 . . 10006 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10006 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10006 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10006 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10006 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'Johnson, B.A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10006 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10006 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8994 _Software.Details 'Kobayashi, N.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10006 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10006 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details 'Guntert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10006 5 'structure solution' 10006 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 10006 _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 10006 _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 . . . . . . . . . . . . . . . . 10006 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10006 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 10006 _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 10006 _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 10006 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784 ppm at 296 K) 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 . . . . . . . . . 10006 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 10006 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10006 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_assigned_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10006 _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 10006 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10006 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.961 0.030 . 1 . . . . 7 GLY HA2 . 10006 1 2 . 1 1 7 7 GLY HA3 H 1 3.961 0.030 . 1 . . . . 7 GLY HA3 . 10006 1 3 . 1 1 7 7 GLY C C 13 174.014 0.300 . 1 . . . . 7 GLY C . 10006 1 4 . 1 1 7 7 GLY CA C 13 45.424 0.300 . 1 . . . . 7 GLY CA . 10006 1 5 . 1 1 8 8 MET H H 1 8.148 0.030 . 1 . . . . 8 MET H . 10006 1 6 . 1 1 8 8 MET HA H 1 4.481 0.030 . 1 . . . . 8 MET HA . 10006 1 7 . 1 1 8 8 MET HB2 H 1 2.048 0.030 . 2 . . . . 8 MET HB2 . 10006 1 8 . 1 1 8 8 MET HB3 H 1 1.938 0.030 . 2 . . . . 8 MET HB3 . 10006 1 9 . 1 1 8 8 MET HG2 H 1 2.550 0.030 . 2 . . . . 8 MET HG2 . 10006 1 10 . 1 1 8 8 MET HG3 H 1 2.481 0.030 . 2 . . . . 8 MET HG3 . 10006 1 11 . 1 1 8 8 MET HE1 H 1 2.064 0.030 . 1 . . . . 8 MET HE . 10006 1 12 . 1 1 8 8 MET HE2 H 1 2.064 0.030 . 1 . . . . 8 MET HE . 10006 1 13 . 1 1 8 8 MET HE3 H 1 2.064 0.030 . 1 . . . . 8 MET HE . 10006 1 14 . 1 1 8 8 MET C C 13 176.068 0.300 . 1 . . . . 8 MET C . 10006 1 15 . 1 1 8 8 MET CA C 13 55.206 0.300 . 1 . . . . 8 MET CA . 10006 1 16 . 1 1 8 8 MET CB C 13 33.068 0.300 . 1 . . . . 8 MET CB . 10006 1 17 . 1 1 8 8 MET CG C 13 31.931 0.300 . 1 . . . . 8 MET CG . 10006 1 18 . 1 1 8 8 MET CE C 13 16.974 0.300 . 1 . . . . 8 MET CE . 10006 1 19 . 1 1 8 8 MET N N 15 119.495 0.300 . 1 . . . . 8 MET N . 10006 1 20 . 1 1 9 9 GLU H H 1 8.470 0.030 . 1 . . . . 9 GLU H . 10006 1 21 . 1 1 9 9 GLU HA H 1 4.534 0.030 . 1 . . . . 9 GLU HA . 10006 1 22 . 1 1 9 9 GLU HB2 H 1 1.971 0.030 . 2 . . . . 9 GLU HB2 . 10006 1 23 . 1 1 9 9 GLU HB3 H 1 1.850 0.030 . 2 . . . . 9 GLU HB3 . 10006 1 24 . 1 1 9 9 GLU HG2 H 1 2.271 0.030 . 1 . . . . 9 GLU HG2 . 10006 1 25 . 1 1 9 9 GLU HG3 H 1 2.271 0.030 . 1 . . . . 9 GLU HG3 . 10006 1 26 . 1 1 9 9 GLU C C 13 174.694 0.300 . 1 . . . . 9 GLU C . 10006 1 27 . 1 1 9 9 GLU CA C 13 54.649 0.300 . 1 . . . . 9 GLU CA . 10006 1 28 . 1 1 9 9 GLU CB C 13 29.662 0.300 . 1 . . . . 9 GLU CB . 10006 1 29 . 1 1 9 9 GLU CG C 13 36.051 0.300 . 1 . . . . 9 GLU CG . 10006 1 30 . 1 1 9 9 GLU N N 15 123.607 0.300 . 1 . . . . 9 GLU N . 10006 1 31 . 1 1 10 10 PRO HA H 1 4.341 0.030 . 1 . . . . 10 PRO HA . 10006 1 32 . 1 1 10 10 PRO HB2 H 1 2.222 0.030 . 2 . . . . 10 PRO HB2 . 10006 1 33 . 1 1 10 10 PRO HB3 H 1 1.810 0.030 . 2 . . . . 10 PRO HB3 . 10006 1 34 . 1 1 10 10 PRO HG2 H 1 1.974 0.030 . 1 . . . . 10 PRO HG2 . 10006 1 35 . 1 1 10 10 PRO HG3 H 1 1.974 0.030 . 1 . . . . 10 PRO HG3 . 10006 1 36 . 1 1 10 10 PRO HD2 H 1 3.768 0.030 . 2 . . . . 10 PRO HD2 . 10006 1 37 . 1 1 10 10 PRO HD3 H 1 3.678 0.030 . 2 . . . . 10 PRO HD3 . 10006 1 38 . 1 1 10 10 PRO C C 13 176.731 0.300 . 1 . . . . 10 PRO C . 10006 1 39 . 1 1 10 10 PRO CA C 13 63.363 0.300 . 1 . . . . 10 PRO CA . 10006 1 40 . 1 1 10 10 PRO CB C 13 32.021 0.300 . 1 . . . . 10 PRO CB . 10006 1 41 . 1 1 10 10 PRO CG C 13 27.274 0.300 . 1 . . . . 10 PRO CG . 10006 1 42 . 1 1 10 10 PRO CD C 13 50.668 0.300 . 1 . . . . 10 PRO CD . 10006 1 43 . 1 1 11 11 HIS H H 1 8.256 0.030 . 1 . . . . 11 HIS H . 10006 1 44 . 1 1 11 11 HIS HA H 1 4.543 0.030 . 1 . . . . 11 HIS HA . 10006 1 45 . 1 1 11 11 HIS HB2 H 1 3.045 0.030 . 1 . . . . 11 HIS HB2 . 10006 1 46 . 1 1 11 11 HIS HB3 H 1 3.045 0.030 . 1 . . . . 11 HIS HB3 . 10006 1 47 . 1 1 11 11 HIS HD2 H 1 6.949 0.030 . 1 . . . . 11 HIS HD2 . 10006 1 48 . 1 1 11 11 HIS C C 13 175.341 0.300 . 1 . . . . 11 HIS C . 10006 1 49 . 1 1 11 11 HIS CA C 13 56.364 0.300 . 1 . . . . 11 HIS CA . 10006 1 50 . 1 1 11 11 HIS CB C 13 30.808 0.300 . 1 . . . . 11 HIS CB . 10006 1 51 . 1 1 11 11 HIS CD2 C 13 119.865 0.300 . 1 . . . . 11 HIS CD2 . 10006 1 52 . 1 1 11 11 HIS N N 15 119.227 0.300 . 1 . . . . 11 HIS N . 10006 1 53 . 1 1 12 12 LYS H H 1 8.081 0.030 . 1 . . . . 12 LYS H . 10006 1 54 . 1 1 12 12 LYS HA H 1 4.280 0.030 . 1 . . . . 12 LYS HA . 10006 1 55 . 1 1 12 12 LYS HB2 H 1 1.735 0.030 . 2 . . . . 12 LYS HB2 . 10006 1 56 . 1 1 12 12 LYS HB3 H 1 1.652 0.030 . 2 . . . . 12 LYS HB3 . 10006 1 57 . 1 1 12 12 LYS HG2 H 1 1.264 0.030 . 1 . . . . 12 LYS HG2 . 10006 1 58 . 1 1 12 12 LYS HG3 H 1 1.264 0.030 . 1 . . . . 12 LYS HG3 . 10006 1 59 . 1 1 12 12 LYS HE2 H 1 2.938 0.030 . 1 . . . . 12 LYS HE2 . 10006 1 60 . 1 1 12 12 LYS HE3 H 1 2.938 0.030 . 1 . . . . 12 LYS HE3 . 10006 1 61 . 1 1 12 12 LYS C C 13 175.886 0.300 . 1 . . . . 12 LYS C . 10006 1 62 . 1 1 12 12 LYS CA C 13 56.105 0.300 . 1 . . . . 12 LYS CA . 10006 1 63 . 1 1 12 12 LYS CB C 13 33.219 0.300 . 1 . . . . 12 LYS CB . 10006 1 64 . 1 1 12 12 LYS CG C 13 24.676 0.300 . 1 . . . . 12 LYS CG . 10006 1 65 . 1 1 12 12 LYS CD C 13 28.942 0.300 . 1 . . . . 12 LYS CD . 10006 1 66 . 1 1 12 12 LYS CE C 13 42.312 0.300 . 1 . . . . 12 LYS CE . 10006 1 67 . 1 1 12 12 LYS N N 15 123.289 0.300 . 1 . . . . 12 LYS N . 10006 1 68 . 1 1 13 13 VAL H H 1 8.146 0.030 . 1 . . . . 13 VAL H . 10006 1 69 . 1 1 13 13 VAL HA H 1 4.039 0.030 . 1 . . . . 13 VAL HA . 10006 1 70 . 1 1 13 13 VAL HB H 1 1.966 0.030 . 1 . . . . 13 VAL HB . 10006 1 71 . 1 1 13 13 VAL HG11 H 1 0.850 0.030 . 1 . . . . 13 VAL HG1 . 10006 1 72 . 1 1 13 13 VAL HG12 H 1 0.850 0.030 . 1 . . . . 13 VAL HG1 . 10006 1 73 . 1 1 13 13 VAL HG13 H 1 0.850 0.030 . 1 . . . . 13 VAL HG1 . 10006 1 74 . 1 1 13 13 VAL HG21 H 1 0.907 0.030 . 1 . . . . 13 VAL HG2 . 10006 1 75 . 1 1 13 13 VAL HG22 H 1 0.907 0.030 . 1 . . . . 13 VAL HG2 . 10006 1 76 . 1 1 13 13 VAL HG23 H 1 0.907 0.030 . 1 . . . . 13 VAL HG2 . 10006 1 77 . 1 1 13 13 VAL C C 13 175.886 0.300 . 1 . . . . 13 VAL C . 10006 1 78 . 1 1 13 13 VAL CA C 13 62.281 0.300 . 1 . . . . 13 VAL CA . 10006 1 79 . 1 1 13 13 VAL CB C 13 32.718 0.300 . 1 . . . . 13 VAL CB . 10006 1 80 . 1 1 13 13 VAL CG1 C 13 21.135 0.300 . 2 . . . . 13 VAL CG1 . 10006 1 81 . 1 1 13 13 VAL CG2 C 13 20.902 0.300 . 2 . . . . 13 VAL CG2 . 10006 1 82 . 1 1 13 13 VAL N N 15 122.920 0.300 . 1 . . . . 13 VAL N . 10006 1 83 . 1 1 14 14 VAL H H 1 8.358 0.030 . 1 . . . . 14 VAL H . 10006 1 84 . 1 1 14 14 VAL HA H 1 4.404 0.030 . 1 . . . . 14 VAL HA . 10006 1 85 . 1 1 14 14 VAL HB H 1 2.051 0.030 . 1 . . . . 14 VAL HB . 10006 1 86 . 1 1 14 14 VAL HG11 H 1 0.924 0.030 . 1 . . . . 14 VAL HG1 . 10006 1 87 . 1 1 14 14 VAL HG12 H 1 0.924 0.030 . 1 . . . . 14 VAL HG1 . 10006 1 88 . 1 1 14 14 VAL HG13 H 1 0.924 0.030 . 1 . . . . 14 VAL HG1 . 10006 1 89 . 1 1 14 14 VAL HG21 H 1 0.956 0.030 . 1 . . . . 14 VAL HG2 . 10006 1 90 . 1 1 14 14 VAL HG22 H 1 0.956 0.030 . 1 . . . . 14 VAL HG2 . 10006 1 91 . 1 1 14 14 VAL HG23 H 1 0.956 0.030 . 1 . . . . 14 VAL HG2 . 10006 1 92 . 1 1 14 14 VAL C C 13 174.048 0.300 . 1 . . . . 14 VAL C . 10006 1 93 . 1 1 14 14 VAL CA C 13 59.670 0.300 . 1 . . . . 14 VAL CA . 10006 1 94 . 1 1 14 14 VAL CB C 13 32.729 0.300 . 1 . . . . 14 VAL CB . 10006 1 95 . 1 1 14 14 VAL CG1 C 13 20.487 0.300 . 2 . . . . 14 VAL CG1 . 10006 1 96 . 1 1 14 14 VAL CG2 C 13 21.046 0.300 . 2 . . . . 14 VAL CG2 . 10006 1 97 . 1 1 14 14 VAL N N 15 127.242 0.300 . 1 . . . . 14 VAL N . 10006 1 98 . 1 1 15 15 PRO HA H 1 4.391 0.030 . 1 . . . . 15 PRO HA . 10006 1 99 . 1 1 15 15 PRO HB2 H 1 2.246 0.030 . 2 . . . . 15 PRO HB2 . 10006 1 100 . 1 1 15 15 PRO HB3 H 1 1.826 0.030 . 2 . . . . 15 PRO HB3 . 10006 1 101 . 1 1 15 15 PRO HG2 H 1 1.916 0.030 . 1 . . . . 15 PRO HG2 . 10006 1 102 . 1 1 15 15 PRO HG3 H 1 1.916 0.030 . 1 . . . . 15 PRO HG3 . 10006 1 103 . 1 1 15 15 PRO HD2 H 1 3.834 0.030 . 2 . . . . 15 PRO HD2 . 10006 1 104 . 1 1 15 15 PRO HD3 H 1 3.661 0.030 . 2 . . . . 15 PRO HD3 . 10006 1 105 . 1 1 15 15 PRO C C 13 176.570 0.300 . 1 . . . . 15 PRO C . 10006 1 106 . 1 1 15 15 PRO CA C 13 62.757 0.300 . 1 . . . . 15 PRO CA . 10006 1 107 . 1 1 15 15 PRO CB C 13 32.294 0.300 . 1 . . . . 15 PRO CB . 10006 1 108 . 1 1 15 15 PRO CG C 13 27.248 0.300 . 1 . . . . 15 PRO CG . 10006 1 109 . 1 1 15 15 PRO CD C 13 51.048 0.300 . 1 . . . . 15 PRO CD . 10006 1 110 . 1 1 16 16 LEU H H 1 8.368 0.030 . 1 . . . . 16 LEU H . 10006 1 111 . 1 1 16 16 LEU HA H 1 4.271 0.030 . 1 . . . . 16 LEU HA . 10006 1 112 . 1 1 16 16 LEU HB2 H 1 1.461 0.030 . 1 . . . . 16 LEU HB2 . 10006 1 113 . 1 1 16 16 LEU HB3 H 1 1.461 0.030 . 1 . . . . 16 LEU HB3 . 10006 1 114 . 1 1 16 16 LEU HG H 1 1.575 0.030 . 1 . . . . 16 LEU HG . 10006 1 115 . 1 1 16 16 LEU HD11 H 1 0.788 0.030 . 1 . . . . 16 LEU HD1 . 10006 1 116 . 1 1 16 16 LEU HD12 H 1 0.788 0.030 . 1 . . . . 16 LEU HD1 . 10006 1 117 . 1 1 16 16 LEU HD13 H 1 0.788 0.030 . 1 . . . . 16 LEU HD1 . 10006 1 118 . 1 1 16 16 LEU HD21 H 1 0.769 0.030 . 1 . . . . 16 LEU HD2 . 10006 1 119 . 1 1 16 16 LEU HD22 H 1 0.769 0.030 . 1 . . . . 16 LEU HD2 . 10006 1 120 . 1 1 16 16 LEU HD23 H 1 0.769 0.030 . 1 . . . . 16 LEU HD2 . 10006 1 121 . 1 1 16 16 LEU C C 13 177.085 0.300 . 1 . . . . 16 LEU C . 10006 1 122 . 1 1 16 16 LEU CA C 13 54.945 0.300 . 1 . . . . 16 LEU CA . 10006 1 123 . 1 1 16 16 LEU CB C 13 43.135 0.300 . 1 . . . . 16 LEU CB . 10006 1 124 . 1 1 16 16 LEU CG C 13 26.743 0.300 . 1 . . . . 16 LEU CG . 10006 1 125 . 1 1 16 16 LEU CD1 C 13 25.219 0.300 . 2 . . . . 16 LEU CD1 . 10006 1 126 . 1 1 16 16 LEU CD2 C 13 24.906 0.300 . 2 . . . . 16 LEU CD2 . 10006 1 127 . 1 1 16 16 LEU N N 15 122.836 0.300 . 1 . . . . 16 LEU N . 10006 1 128 . 1 1 17 17 SER H H 1 8.245 0.030 . 1 . . . . 17 SER H . 10006 1 129 . 1 1 17 17 SER HA H 1 4.422 0.030 . 1 . . . . 17 SER HA . 10006 1 130 . 1 1 17 17 SER HB2 H 1 3.773 0.030 . 2 . . . . 17 SER HB2 . 10006 1 131 . 1 1 17 17 SER HB3 H 1 3.738 0.030 . 2 . . . . 17 SER HB3 . 10006 1 132 . 1 1 17 17 SER C C 13 173.668 0.300 . 1 . . . . 17 SER C . 10006 1 133 . 1 1 17 17 SER CA C 13 57.579 0.300 . 1 . . . . 17 SER CA . 10006 1 134 . 1 1 17 17 SER CB C 13 64.135 0.300 . 1 . . . . 17 SER CB . 10006 1 135 . 1 1 17 17 SER N N 15 118.935 0.300 . 1 . . . . 17 SER N . 10006 1 136 . 1 1 18 18 LYS H H 1 8.410 0.030 . 1 . . . . 18 LYS H . 10006 1 137 . 1 1 18 18 LYS HA H 1 4.161 0.030 . 1 . . . . 18 LYS HA . 10006 1 138 . 1 1 18 18 LYS HB2 H 1 1.764 0.030 . 2 . . . . 18 LYS HB2 . 10006 1 139 . 1 1 18 18 LYS HB3 H 1 1.679 0.030 . 2 . . . . 18 LYS HB3 . 10006 1 140 . 1 1 18 18 LYS HG2 H 1 1.540 0.030 . 2 . . . . 18 LYS HG2 . 10006 1 141 . 1 1 18 18 LYS HG3 H 1 1.460 0.030 . 2 . . . . 18 LYS HG3 . 10006 1 142 . 1 1 18 18 LYS HD2 H 1 1.714 0.030 . 1 . . . . 18 LYS HD2 . 10006 1 143 . 1 1 18 18 LYS HD3 H 1 1.714 0.030 . 1 . . . . 18 LYS HD3 . 10006 1 144 . 1 1 18 18 LYS HE2 H 1 3.035 0.030 . 1 . . . . 18 LYS HE2 . 10006 1 145 . 1 1 18 18 LYS HE3 H 1 3.035 0.030 . 1 . . . . 18 LYS HE3 . 10006 1 146 . 1 1 18 18 LYS C C 13 174.957 0.300 . 1 . . . . 18 LYS C . 10006 1 147 . 1 1 18 18 LYS CA C 13 54.592 0.300 . 1 . . . . 18 LYS CA . 10006 1 148 . 1 1 18 18 LYS CB C 13 31.911 0.300 . 1 . . . . 18 LYS CB . 10006 1 149 . 1 1 18 18 LYS CG C 13 24.920 0.300 . 1 . . . . 18 LYS CG . 10006 1 150 . 1 1 18 18 LYS CD C 13 29.274 0.300 . 1 . . . . 18 LYS CD . 10006 1 151 . 1 1 18 18 LYS CE C 13 42.246 0.300 . 1 . . . . 18 LYS CE . 10006 1 152 . 1 1 18 18 LYS N N 15 123.867 0.300 . 1 . . . . 18 LYS N . 10006 1 153 . 1 1 19 19 PRO HA H 1 4.549 0.030 . 1 . . . . 19 PRO HA . 10006 1 154 . 1 1 19 19 PRO HB2 H 1 2.104 0.030 . 2 . . . . 19 PRO HB2 . 10006 1 155 . 1 1 19 19 PRO HB3 H 1 1.858 0.030 . 2 . . . . 19 PRO HB3 . 10006 1 156 . 1 1 19 19 PRO HG2 H 1 1.770 0.030 . 2 . . . . 19 PRO HG2 . 10006 1 157 . 1 1 19 19 PRO HG3 H 1 1.698 0.030 . 2 . . . . 19 PRO HG3 . 10006 1 158 . 1 1 19 19 PRO HD2 H 1 3.735 0.030 . 2 . . . . 19 PRO HD2 . 10006 1 159 . 1 1 19 19 PRO HD3 H 1 3.388 0.030 . 2 . . . . 19 PRO HD3 . 10006 1 160 . 1 1 19 19 PRO C C 13 176.839 0.300 . 1 . . . . 19 PRO C . 10006 1 161 . 1 1 19 19 PRO CA C 13 62.303 0.300 . 1 . . . . 19 PRO CA . 10006 1 162 . 1 1 19 19 PRO CB C 13 31.992 0.300 . 1 . . . . 19 PRO CB . 10006 1 163 . 1 1 19 19 PRO CG C 13 27.298 0.300 . 1 . . . . 19 PRO CG . 10006 1 164 . 1 1 19 19 PRO CD C 13 51.027 0.300 . 1 . . . . 19 PRO CD . 10006 1 165 . 1 1 20 20 HIS H H 1 8.502 0.030 . 1 . . . . 20 HIS H . 10006 1 166 . 1 1 20 20 HIS HA H 1 4.676 0.030 . 1 . . . . 20 HIS HA . 10006 1 167 . 1 1 20 20 HIS HB2 H 1 3.228 0.030 . 2 . . . . 20 HIS HB2 . 10006 1 168 . 1 1 20 20 HIS HB3 H 1 3.031 0.030 . 2 . . . . 20 HIS HB3 . 10006 1 169 . 1 1 20 20 HIS HD2 H 1 7.146 0.030 . 1 . . . . 20 HIS HD2 . 10006 1 170 . 1 1 20 20 HIS HE1 H 1 7.764 0.030 . 1 . . . . 20 HIS HE1 . 10006 1 171 . 1 1 20 20 HIS C C 13 173.440 0.300 . 1 . . . . 20 HIS C . 10006 1 172 . 1 1 20 20 HIS CA C 13 54.967 0.300 . 1 . . . . 20 HIS CA . 10006 1 173 . 1 1 20 20 HIS CB C 13 28.930 0.300 . 1 . . . . 20 HIS CB . 10006 1 174 . 1 1 20 20 HIS CD2 C 13 120.448 0.300 . 1 . . . . 20 HIS CD2 . 10006 1 175 . 1 1 20 20 HIS CE1 C 13 138.607 0.300 . 1 . . . . 20 HIS CE1 . 10006 1 176 . 1 1 20 20 HIS N N 15 121.635 0.300 . 1 . . . . 20 HIS N . 10006 1 177 . 1 1 21 21 PRO HA H 1 4.680 0.030 . 1 . . . . 21 PRO HA . 10006 1 178 . 1 1 21 21 PRO HB2 H 1 2.200 0.030 . 2 . . . . 21 PRO HB2 . 10006 1 179 . 1 1 21 21 PRO HB3 H 1 1.902 0.030 . 2 . . . . 21 PRO HB3 . 10006 1 180 . 1 1 21 21 PRO HG2 H 1 2.131 0.030 . 2 . . . . 21 PRO HG2 . 10006 1 181 . 1 1 21 21 PRO HG3 H 1 2.006 0.030 . 2 . . . . 21 PRO HG3 . 10006 1 182 . 1 1 21 21 PRO HD2 H 1 3.744 0.030 . 2 . . . . 21 PRO HD2 . 10006 1 183 . 1 1 21 21 PRO HD3 H 1 3.682 0.030 . 2 . . . . 21 PRO HD3 . 10006 1 184 . 1 1 21 21 PRO CA C 13 61.194 0.300 . 1 . . . . 21 PRO CA . 10006 1 185 . 1 1 21 21 PRO CB C 13 29.938 0.300 . 1 . . . . 21 PRO CB . 10006 1 186 . 1 1 21 21 PRO CG C 13 27.352 0.300 . 1 . . . . 21 PRO CG . 10006 1 187 . 1 1 21 21 PRO CD C 13 49.948 0.300 . 1 . . . . 21 PRO CD . 10006 1 188 . 1 1 22 22 PRO HA H 1 4.632 0.030 . 1 . . . . 22 PRO HA . 10006 1 189 . 1 1 22 22 PRO HB2 H 1 2.128 0.030 . 2 . . . . 22 PRO HB2 . 10006 1 190 . 1 1 22 22 PRO HB3 H 1 1.870 0.030 . 2 . . . . 22 PRO HB3 . 10006 1 191 . 1 1 22 22 PRO HG2 H 1 1.756 0.030 . 2 . . . . 22 PRO HG2 . 10006 1 192 . 1 1 22 22 PRO HG3 H 1 1.529 0.030 . 2 . . . . 22 PRO HG3 . 10006 1 193 . 1 1 22 22 PRO HD2 H 1 3.790 0.030 . 2 . . . . 22 PRO HD2 . 10006 1 194 . 1 1 22 22 PRO HD3 H 1 3.539 0.030 . 2 . . . . 22 PRO HD3 . 10006 1 195 . 1 1 22 22 PRO C C 13 173.531 0.300 . 1 . . . . 22 PRO C . 10006 1 196 . 1 1 22 22 PRO CA C 13 62.546 0.300 . 1 . . . . 22 PRO CA . 10006 1 197 . 1 1 22 22 PRO CB C 13 32.634 0.300 . 1 . . . . 22 PRO CB . 10006 1 198 . 1 1 22 22 PRO CG C 13 27.280 0.300 . 1 . . . . 22 PRO CG . 10006 1 199 . 1 1 22 22 PRO CD C 13 49.429 0.300 . 1 . . . . 22 PRO CD . 10006 1 200 . 1 1 23 23 VAL H H 1 9.198 0.030 . 1 . . . . 23 VAL H . 10006 1 201 . 1 1 23 23 VAL HA H 1 3.817 0.030 . 1 . . . . 23 VAL HA . 10006 1 202 . 1 1 23 23 VAL HB H 1 1.045 0.030 . 1 . . . . 23 VAL HB . 10006 1 203 . 1 1 23 23 VAL HG11 H 1 0.758 0.030 . 1 . . . . 23 VAL HG1 . 10006 1 204 . 1 1 23 23 VAL HG12 H 1 0.758 0.030 . 1 . . . . 23 VAL HG1 . 10006 1 205 . 1 1 23 23 VAL HG13 H 1 0.758 0.030 . 1 . . . . 23 VAL HG1 . 10006 1 206 . 1 1 23 23 VAL HG21 H 1 0.807 0.030 . 1 . . . . 23 VAL HG2 . 10006 1 207 . 1 1 23 23 VAL HG22 H 1 0.807 0.030 . 1 . . . . 23 VAL HG2 . 10006 1 208 . 1 1 23 23 VAL HG23 H 1 0.807 0.030 . 1 . . . . 23 VAL HG2 . 10006 1 209 . 1 1 23 23 VAL C C 13 174.696 0.300 . 1 . . . . 23 VAL C . 10006 1 210 . 1 1 23 23 VAL CA C 13 61.595 0.300 . 1 . . . . 23 VAL CA . 10006 1 211 . 1 1 23 23 VAL CB C 13 32.782 0.300 . 1 . . . . 23 VAL CB . 10006 1 212 . 1 1 23 23 VAL CG1 C 13 22.400 0.300 . 1 . . . . 23 VAL CG1 . 10006 1 213 . 1 1 23 23 VAL CG2 C 13 21.876 0.300 . 1 . . . . 23 VAL CG2 . 10006 1 214 . 1 1 23 23 VAL N N 15 122.521 0.300 . 1 . . . . 23 VAL N . 10006 1 215 . 1 1 24 24 VAL H H 1 7.967 0.030 . 1 . . . . 24 VAL H . 10006 1 216 . 1 1 24 24 VAL HA H 1 4.212 0.030 . 1 . . . . 24 VAL HA . 10006 1 217 . 1 1 24 24 VAL HB H 1 1.971 0.030 . 1 . . . . 24 VAL HB . 10006 1 218 . 1 1 24 24 VAL HG11 H 1 0.993 0.030 . 1 . . . . 24 VAL HG1 . 10006 1 219 . 1 1 24 24 VAL HG12 H 1 0.993 0.030 . 1 . . . . 24 VAL HG1 . 10006 1 220 . 1 1 24 24 VAL HG13 H 1 0.993 0.030 . 1 . . . . 24 VAL HG1 . 10006 1 221 . 1 1 24 24 VAL HG21 H 1 0.870 0.030 . 1 . . . . 24 VAL HG2 . 10006 1 222 . 1 1 24 24 VAL HG22 H 1 0.870 0.030 . 1 . . . . 24 VAL HG2 . 10006 1 223 . 1 1 24 24 VAL HG23 H 1 0.870 0.030 . 1 . . . . 24 VAL HG2 . 10006 1 224 . 1 1 24 24 VAL C C 13 177.297 0.300 . 1 . . . . 24 VAL C . 10006 1 225 . 1 1 24 24 VAL CA C 13 62.568 0.300 . 1 . . . . 24 VAL CA . 10006 1 226 . 1 1 24 24 VAL CB C 13 32.442 0.300 . 1 . . . . 24 VAL CB . 10006 1 227 . 1 1 24 24 VAL CG1 C 13 22.343 0.300 . 1 . . . . 24 VAL CG1 . 10006 1 228 . 1 1 24 24 VAL CG2 C 13 22.009 0.300 . 1 . . . . 24 VAL CG2 . 10006 1 229 . 1 1 24 24 VAL N N 15 124.677 0.300 . 1 . . . . 24 VAL N . 10006 1 230 . 1 1 25 25 GLY H H 1 8.979 0.030 . 1 . . . . 25 GLY H . 10006 1 231 . 1 1 25 25 GLY HA2 H 1 4.542 0.030 . 2 . . . . 25 GLY HA2 . 10006 1 232 . 1 1 25 25 GLY HA3 H 1 3.529 0.030 . 2 . . . . 25 GLY HA3 . 10006 1 233 . 1 1 25 25 GLY C C 13 172.438 0.300 . 1 . . . . 25 GLY C . 10006 1 234 . 1 1 25 25 GLY CA C 13 44.040 0.300 . 1 . . . . 25 GLY CA . 10006 1 235 . 1 1 25 25 GLY N N 15 117.680 0.300 . 1 . . . . 25 GLY N . 10006 1 236 . 1 1 26 26 LYS H H 1 9.146 0.030 . 1 . . . . 26 LYS H . 10006 1 237 . 1 1 26 26 LYS HA H 1 4.130 0.030 . 1 . . . . 26 LYS HA . 10006 1 238 . 1 1 26 26 LYS HB2 H 1 1.650 0.030 . 2 . . . . 26 LYS HB2 . 10006 1 239 . 1 1 26 26 LYS HB3 H 1 1.571 0.030 . 2 . . . . 26 LYS HB3 . 10006 1 240 . 1 1 26 26 LYS HG2 H 1 1.366 0.030 . 2 . . . . 26 LYS HG2 . 10006 1 241 . 1 1 26 26 LYS HG3 H 1 1.233 0.030 . 2 . . . . 26 LYS HG3 . 10006 1 242 . 1 1 26 26 LYS HD2 H 1 1.609 0.030 . 1 . . . . 26 LYS HD2 . 10006 1 243 . 1 1 26 26 LYS HD3 H 1 1.609 0.030 . 1 . . . . 26 LYS HD3 . 10006 1 244 . 1 1 26 26 LYS HE2 H 1 2.866 0.030 . 1 . . . . 26 LYS HE2 . 10006 1 245 . 1 1 26 26 LYS HE3 H 1 2.866 0.030 . 1 . . . . 26 LYS HE3 . 10006 1 246 . 1 1 26 26 LYS C C 13 176.743 0.300 . 1 . . . . 26 LYS C . 10006 1 247 . 1 1 26 26 LYS CA C 13 57.712 0.300 . 1 . . . . 26 LYS CA . 10006 1 248 . 1 1 26 26 LYS CB C 13 32.783 0.300 . 1 . . . . 26 LYS CB . 10006 1 249 . 1 1 26 26 LYS CG C 13 24.950 0.300 . 1 . . . . 26 LYS CG . 10006 1 250 . 1 1 26 26 LYS CD C 13 28.942 0.300 . 1 . . . . 26 LYS CD . 10006 1 251 . 1 1 26 26 LYS CE C 13 42.045 0.300 . 1 . . . . 26 LYS CE . 10006 1 252 . 1 1 26 26 LYS N N 15 128.231 0.300 . 1 . . . . 26 LYS N . 10006 1 253 . 1 1 27 27 VAL H H 1 8.552 0.030 . 1 . . . . 27 VAL H . 10006 1 254 . 1 1 27 27 VAL HA H 1 4.602 0.030 . 1 . . . . 27 VAL HA . 10006 1 255 . 1 1 27 27 VAL HB H 1 1.944 0.030 . 1 . . . . 27 VAL HB . 10006 1 256 . 1 1 27 27 VAL HG11 H 1 1.298 0.030 . 1 . . . . 27 VAL HG1 . 10006 1 257 . 1 1 27 27 VAL HG12 H 1 1.298 0.030 . 1 . . . . 27 VAL HG1 . 10006 1 258 . 1 1 27 27 VAL HG13 H 1 1.298 0.030 . 1 . . . . 27 VAL HG1 . 10006 1 259 . 1 1 27 27 VAL HG21 H 1 1.003 0.030 . 1 . . . . 27 VAL HG2 . 10006 1 260 . 1 1 27 27 VAL HG22 H 1 1.003 0.030 . 1 . . . . 27 VAL HG2 . 10006 1 261 . 1 1 27 27 VAL HG23 H 1 1.003 0.030 . 1 . . . . 27 VAL HG2 . 10006 1 262 . 1 1 27 27 VAL C C 13 175.906 0.300 . 1 . . . . 27 VAL C . 10006 1 263 . 1 1 27 27 VAL CA C 13 62.026 0.300 . 1 . . . . 27 VAL CA . 10006 1 264 . 1 1 27 27 VAL CB C 13 34.973 0.300 . 1 . . . . 27 VAL CB . 10006 1 265 . 1 1 27 27 VAL CG1 C 13 22.814 0.300 . 2 . . . . 27 VAL CG1 . 10006 1 266 . 1 1 27 27 VAL CG2 C 13 22.476 0.300 . 2 . . . . 27 VAL CG2 . 10006 1 267 . 1 1 27 27 VAL N N 15 128.815 0.300 . 1 . . . . 27 VAL N . 10006 1 268 . 1 1 28 28 THR H H 1 8.704 0.030 . 1 . . . . 28 THR H . 10006 1 269 . 1 1 28 28 THR HA H 1 4.832 0.030 . 1 . . . . 28 THR HA . 10006 1 270 . 1 1 28 28 THR HB H 1 4.331 0.030 . 1 . . . . 28 THR HB . 10006 1 271 . 1 1 28 28 THR HG21 H 1 1.011 0.030 . 1 . . . . 28 THR HG2 . 10006 1 272 . 1 1 28 28 THR HG22 H 1 1.011 0.030 . 1 . . . . 28 THR HG2 . 10006 1 273 . 1 1 28 28 THR HG23 H 1 1.011 0.030 . 1 . . . . 28 THR HG2 . 10006 1 274 . 1 1 28 28 THR C C 13 174.213 0.300 . 1 . . . . 28 THR C . 10006 1 275 . 1 1 28 28 THR CA C 13 60.443 0.300 . 1 . . . . 28 THR CA . 10006 1 276 . 1 1 28 28 THR CB C 13 70.917 0.300 . 1 . . . . 28 THR CB . 10006 1 277 . 1 1 28 28 THR CG2 C 13 20.096 0.300 . 1 . . . . 28 THR CG2 . 10006 1 278 . 1 1 28 28 THR N N 15 119.101 0.300 . 1 . . . . 28 THR N . 10006 1 279 . 1 1 29 29 HIS H H 1 7.861 0.030 . 1 . . . . 29 HIS H . 10006 1 280 . 1 1 29 29 HIS HA H 1 4.817 0.030 . 1 . . . . 29 HIS HA . 10006 1 281 . 1 1 29 29 HIS HB2 H 1 3.109 0.030 . 2 . . . . 29 HIS HB2 . 10006 1 282 . 1 1 29 29 HIS HB3 H 1 2.664 0.030 . 2 . . . . 29 HIS HB3 . 10006 1 283 . 1 1 29 29 HIS HD2 H 1 7.019 0.030 . 1 . . . . 29 HIS HD2 . 10006 1 284 . 1 1 29 29 HIS HE1 H 1 7.807 0.030 . 1 . . . . 29 HIS HE1 . 10006 1 285 . 1 1 29 29 HIS C C 13 174.132 0.300 . 1 . . . . 29 HIS C . 10006 1 286 . 1 1 29 29 HIS CA C 13 57.124 0.300 . 1 . . . . 29 HIS CA . 10006 1 287 . 1 1 29 29 HIS CB C 13 30.422 0.300 . 1 . . . . 29 HIS CB . 10006 1 288 . 1 1 29 29 HIS CD2 C 13 118.853 0.300 . 1 . . . . 29 HIS CD2 . 10006 1 289 . 1 1 29 29 HIS CE1 C 13 139.368 0.300 . 1 . . . . 29 HIS CE1 . 10006 1 290 . 1 1 29 29 HIS N N 15 114.362 0.300 . 1 . . . . 29 HIS N . 10006 1 291 . 1 1 30 30 HIS H H 1 7.506 0.030 . 1 . . . . 30 HIS H . 10006 1 292 . 1 1 30 30 HIS HA H 1 4.712 0.030 . 1 . . . . 30 HIS HA . 10006 1 293 . 1 1 30 30 HIS HB2 H 1 3.248 0.030 . 2 . . . . 30 HIS HB2 . 10006 1 294 . 1 1 30 30 HIS HB3 H 1 2.595 0.030 . 2 . . . . 30 HIS HB3 . 10006 1 295 . 1 1 30 30 HIS HD2 H 1 5.537 0.030 . 1 . . . . 30 HIS HD2 . 10006 1 296 . 1 1 30 30 HIS HE1 H 1 7.796 0.030 . 1 . . . . 30 HIS HE1 . 10006 1 297 . 1 1 30 30 HIS C C 13 173.436 0.300 . 1 . . . . 30 HIS C . 10006 1 298 . 1 1 30 30 HIS CA C 13 53.785 0.300 . 1 . . . . 30 HIS CA . 10006 1 299 . 1 1 30 30 HIS CB C 13 32.823 0.300 . 1 . . . . 30 HIS CB . 10006 1 300 . 1 1 30 30 HIS CD2 C 13 119.652 0.300 . 1 . . . . 30 HIS CD2 . 10006 1 301 . 1 1 30 30 HIS CE1 C 13 137.933 0.300 . 1 . . . . 30 HIS CE1 . 10006 1 302 . 1 1 30 30 HIS N N 15 111.556 0.300 . 1 . . . . 30 HIS N . 10006 1 303 . 1 1 31 31 SER H H 1 7.194 0.030 . 1 . . . . 31 SER H . 10006 1 304 . 1 1 31 31 SER HA H 1 5.389 0.030 . 1 . . . . 31 SER HA . 10006 1 305 . 1 1 31 31 SER HB2 H 1 3.536 0.030 . 2 . . . . 31 SER HB2 . 10006 1 306 . 1 1 31 31 SER HB3 H 1 3.440 0.030 . 2 . . . . 31 SER HB3 . 10006 1 307 . 1 1 31 31 SER C C 13 171.612 0.300 . 1 . . . . 31 SER C . 10006 1 308 . 1 1 31 31 SER CA C 13 56.428 0.300 . 1 . . . . 31 SER CA . 10006 1 309 . 1 1 31 31 SER CB C 13 66.949 0.300 . 1 . . . . 31 SER CB . 10006 1 310 . 1 1 31 31 SER N N 15 116.133 0.300 . 1 . . . . 31 SER N . 10006 1 311 . 1 1 32 32 ILE H H 1 8.291 0.030 . 1 . . . . 32 ILE H . 10006 1 312 . 1 1 32 32 ILE HA H 1 4.219 0.030 . 1 . . . . 32 ILE HA . 10006 1 313 . 1 1 32 32 ILE HB H 1 1.179 0.030 . 1 . . . . 32 ILE HB . 10006 1 314 . 1 1 32 32 ILE HG12 H 1 1.404 0.030 . 2 . . . . 32 ILE HG12 . 10006 1 315 . 1 1 32 32 ILE HG13 H 1 1.002 0.030 . 2 . . . . 32 ILE HG13 . 10006 1 316 . 1 1 32 32 ILE HG21 H 1 0.706 0.030 . 1 . . . . 32 ILE HG2 . 10006 1 317 . 1 1 32 32 ILE HG22 H 1 0.706 0.030 . 1 . . . . 32 ILE HG2 . 10006 1 318 . 1 1 32 32 ILE HG23 H 1 0.706 0.030 . 1 . . . . 32 ILE HG2 . 10006 1 319 . 1 1 32 32 ILE HD11 H 1 0.900 0.030 . 1 . . . . 32 ILE HD1 . 10006 1 320 . 1 1 32 32 ILE HD12 H 1 0.900 0.030 . 1 . . . . 32 ILE HD1 . 10006 1 321 . 1 1 32 32 ILE HD13 H 1 0.900 0.030 . 1 . . . . 32 ILE HD1 . 10006 1 322 . 1 1 32 32 ILE C C 13 173.164 0.300 . 1 . . . . 32 ILE C . 10006 1 323 . 1 1 32 32 ILE CA C 13 61.192 0.300 . 1 . . . . 32 ILE CA . 10006 1 324 . 1 1 32 32 ILE CB C 13 44.840 0.300 . 1 . . . . 32 ILE CB . 10006 1 325 . 1 1 32 32 ILE CG1 C 13 28.453 0.300 . 1 . . . . 32 ILE CG1 . 10006 1 326 . 1 1 32 32 ILE CG2 C 13 17.841 0.300 . 1 . . . . 32 ILE CG2 . 10006 1 327 . 1 1 32 32 ILE CD1 C 13 15.700 0.300 . 1 . . . . 32 ILE CD1 . 10006 1 328 . 1 1 32 32 ILE N N 15 119.550 0.300 . 1 . . . . 32 ILE N . 10006 1 329 . 1 1 33 33 GLU H H 1 8.150 0.030 . 1 . . . . 33 GLU H . 10006 1 330 . 1 1 33 33 GLU HA H 1 4.511 0.030 . 1 . . . . 33 GLU HA . 10006 1 331 . 1 1 33 33 GLU HB2 H 1 2.483 0.030 . 2 . . . . 33 GLU HB2 . 10006 1 332 . 1 1 33 33 GLU HB3 H 1 1.826 0.030 . 2 . . . . 33 GLU HB3 . 10006 1 333 . 1 1 33 33 GLU HG2 H 1 1.978 0.030 . 2 . . . . 33 GLU HG2 . 10006 1 334 . 1 1 33 33 GLU HG3 H 1 1.846 0.030 . 2 . . . . 33 GLU HG3 . 10006 1 335 . 1 1 33 33 GLU C C 13 173.799 0.300 . 1 . . . . 33 GLU C . 10006 1 336 . 1 1 33 33 GLU CA C 13 55.250 0.300 . 1 . . . . 33 GLU CA . 10006 1 337 . 1 1 33 33 GLU CB C 13 31.764 0.300 . 1 . . . . 33 GLU CB . 10006 1 338 . 1 1 33 33 GLU CG C 13 36.293 0.300 . 1 . . . . 33 GLU CG . 10006 1 339 . 1 1 33 33 GLU N N 15 129.024 0.300 . 1 . . . . 33 GLU N . 10006 1 340 . 1 1 34 34 LEU H H 1 8.614 0.030 . 1 . . . . 34 LEU H . 10006 1 341 . 1 1 34 34 LEU HA H 1 5.468 0.030 . 1 . . . . 34 LEU HA . 10006 1 342 . 1 1 34 34 LEU HB2 H 1 1.915 0.030 . 2 . . . . 34 LEU HB2 . 10006 1 343 . 1 1 34 34 LEU HB3 H 1 1.238 0.030 . 2 . . . . 34 LEU HB3 . 10006 1 344 . 1 1 34 34 LEU HG H 1 1.325 0.030 . 1 . . . . 34 LEU HG . 10006 1 345 . 1 1 34 34 LEU HD11 H 1 0.092 0.030 . 1 . . . . 34 LEU HD1 . 10006 1 346 . 1 1 34 34 LEU HD12 H 1 0.092 0.030 . 1 . . . . 34 LEU HD1 . 10006 1 347 . 1 1 34 34 LEU HD13 H 1 0.092 0.030 . 1 . . . . 34 LEU HD1 . 10006 1 348 . 1 1 34 34 LEU HD21 H 1 0.578 0.030 . 1 . . . . 34 LEU HD2 . 10006 1 349 . 1 1 34 34 LEU HD22 H 1 0.578 0.030 . 1 . . . . 34 LEU HD2 . 10006 1 350 . 1 1 34 34 LEU HD23 H 1 0.578 0.030 . 1 . . . . 34 LEU HD2 . 10006 1 351 . 1 1 34 34 LEU C C 13 175.402 0.300 . 1 . . . . 34 LEU C . 10006 1 352 . 1 1 34 34 LEU CA C 13 52.756 0.300 . 1 . . . . 34 LEU CA . 10006 1 353 . 1 1 34 34 LEU CB C 13 46.650 0.300 . 1 . . . . 34 LEU CB . 10006 1 354 . 1 1 34 34 LEU CG C 13 26.374 0.300 . 1 . . . . 34 LEU CG . 10006 1 355 . 1 1 34 34 LEU CD1 C 13 25.718 0.300 . 1 . . . . 34 LEU CD1 . 10006 1 356 . 1 1 34 34 LEU CD2 C 13 23.230 0.300 . 1 . . . . 34 LEU CD2 . 10006 1 357 . 1 1 34 34 LEU N N 15 126.899 0.300 . 1 . . . . 34 LEU N . 10006 1 358 . 1 1 35 35 TYR H H 1 9.055 0.030 . 1 . . . . 35 TYR H . 10006 1 359 . 1 1 35 35 TYR HA H 1 4.918 0.030 . 1 . . . . 35 TYR HA . 10006 1 360 . 1 1 35 35 TYR HB2 H 1 2.917 0.030 . 2 . . . . 35 TYR HB2 . 10006 1 361 . 1 1 35 35 TYR HB3 H 1 2.777 0.030 . 2 . . . . 35 TYR HB3 . 10006 1 362 . 1 1 35 35 TYR HD1 H 1 6.735 0.030 . 1 . . . . 35 TYR HD1 . 10006 1 363 . 1 1 35 35 TYR HD2 H 1 6.735 0.030 . 1 . . . . 35 TYR HD2 . 10006 1 364 . 1 1 35 35 TYR HE1 H 1 6.500 0.030 . 1 . . . . 35 TYR HE1 . 10006 1 365 . 1 1 35 35 TYR HE2 H 1 6.500 0.030 . 1 . . . . 35 TYR HE2 . 10006 1 366 . 1 1 35 35 TYR C C 13 174.696 0.300 . 1 . . . . 35 TYR C . 10006 1 367 . 1 1 35 35 TYR CA C 13 57.003 0.300 . 1 . . . . 35 TYR CA . 10006 1 368 . 1 1 35 35 TYR CB C 13 40.781 0.300 . 1 . . . . 35 TYR CB . 10006 1 369 . 1 1 35 35 TYR CD1 C 13 133.494 0.300 . 1 . . . . 35 TYR CD1 . 10006 1 370 . 1 1 35 35 TYR CD2 C 13 133.494 0.300 . 1 . . . . 35 TYR CD2 . 10006 1 371 . 1 1 35 35 TYR CE1 C 13 117.808 0.300 . 1 . . . . 35 TYR CE1 . 10006 1 372 . 1 1 35 35 TYR CE2 C 13 117.808 0.300 . 1 . . . . 35 TYR CE2 . 10006 1 373 . 1 1 35 35 TYR N N 15 116.133 0.300 . 1 . . . . 35 TYR N . 10006 1 374 . 1 1 36 36 TRP H H 1 8.211 0.030 . 1 . . . . 36 TRP H . 10006 1 375 . 1 1 36 36 TRP HA H 1 5.119 0.030 . 1 . . . . 36 TRP HA . 10006 1 376 . 1 1 36 36 TRP HB2 H 1 3.266 0.030 . 2 . . . . 36 TRP HB2 . 10006 1 377 . 1 1 36 36 TRP HB3 H 1 2.970 0.030 . 2 . . . . 36 TRP HB3 . 10006 1 378 . 1 1 36 36 TRP HD1 H 1 6.034 0.030 . 1 . . . . 36 TRP HD1 . 10006 1 379 . 1 1 36 36 TRP HE1 H 1 7.107 0.030 . 1 . . . . 36 TRP HE1 . 10006 1 380 . 1 1 36 36 TRP HE3 H 1 6.707 0.030 . 1 . . . . 36 TRP HE3 . 10006 1 381 . 1 1 36 36 TRP HZ2 H 1 7.088 0.030 . 1 . . . . 36 TRP HZ2 . 10006 1 382 . 1 1 36 36 TRP HZ3 H 1 6.441 0.030 . 1 . . . . 36 TRP HZ3 . 10006 1 383 . 1 1 36 36 TRP HH2 H 1 6.185 0.030 . 1 . . . . 36 TRP HH2 . 10006 1 384 . 1 1 36 36 TRP C C 13 174.344 0.300 . 1 . . . . 36 TRP C . 10006 1 385 . 1 1 36 36 TRP CA C 13 56.618 0.300 . 1 . . . . 36 TRP CA . 10006 1 386 . 1 1 36 36 TRP CB C 13 28.526 0.300 . 1 . . . . 36 TRP CB . 10006 1 387 . 1 1 36 36 TRP CD1 C 13 125.877 0.300 . 1 . . . . 36 TRP CD1 . 10006 1 388 . 1 1 36 36 TRP CE3 C 13 119.032 0.300 . 1 . . . . 36 TRP CE3 . 10006 1 389 . 1 1 36 36 TRP CZ2 C 13 115.051 0.300 . 1 . . . . 36 TRP CZ2 . 10006 1 390 . 1 1 36 36 TRP CZ3 C 13 121.717 0.300 . 1 . . . . 36 TRP CZ3 . 10006 1 391 . 1 1 36 36 TRP CH2 C 13 123.270 0.300 . 1 . . . . 36 TRP CH2 . 10006 1 392 . 1 1 36 36 TRP N N 15 117.235 0.300 . 1 . . . . 36 TRP N . 10006 1 393 . 1 1 36 36 TRP NE1 N 15 127.559 0.300 . 1 . . . . 36 TRP NE1 . 10006 1 394 . 1 1 37 37 ASP H H 1 7.945 0.030 . 1 . . . . 37 ASP H . 10006 1 395 . 1 1 37 37 ASP HA H 1 4.431 0.030 . 1 . . . . 37 ASP HA . 10006 1 396 . 1 1 37 37 ASP HB2 H 1 2.771 0.030 . 2 . . . . 37 ASP HB2 . 10006 1 397 . 1 1 37 37 ASP HB3 H 1 2.389 0.030 . 2 . . . . 37 ASP HB3 . 10006 1 398 . 1 1 37 37 ASP C C 13 176.934 0.300 . 1 . . . . 37 ASP C . 10006 1 399 . 1 1 37 37 ASP CA C 13 55.191 0.300 . 1 . . . . 37 ASP CA . 10006 1 400 . 1 1 37 37 ASP CB C 13 42.050 0.300 . 1 . . . . 37 ASP CB . 10006 1 401 . 1 1 37 37 ASP N N 15 117.658 0.300 . 1 . . . . 37 ASP N . 10006 1 402 . 1 1 38 38 LEU H H 1 8.444 0.030 . 1 . . . . 38 LEU H . 10006 1 403 . 1 1 38 38 LEU HA H 1 4.170 0.030 . 1 . . . . 38 LEU HA . 10006 1 404 . 1 1 38 38 LEU HB2 H 1 1.640 0.030 . 2 . . . . 38 LEU HB2 . 10006 1 405 . 1 1 38 38 LEU HB3 H 1 1.580 0.030 . 2 . . . . 38 LEU HB3 . 10006 1 406 . 1 1 38 38 LEU HG H 1 1.655 0.030 . 1 . . . . 38 LEU HG . 10006 1 407 . 1 1 38 38 LEU HD11 H 1 0.862 0.030 . 1 . . . . 38 LEU HD1 . 10006 1 408 . 1 1 38 38 LEU HD12 H 1 0.862 0.030 . 1 . . . . 38 LEU HD1 . 10006 1 409 . 1 1 38 38 LEU HD13 H 1 0.862 0.030 . 1 . . . . 38 LEU HD1 . 10006 1 410 . 1 1 38 38 LEU HD21 H 1 0.829 0.030 . 1 . . . . 38 LEU HD2 . 10006 1 411 . 1 1 38 38 LEU HD22 H 1 0.829 0.030 . 1 . . . . 38 LEU HD2 . 10006 1 412 . 1 1 38 38 LEU HD23 H 1 0.829 0.030 . 1 . . . . 38 LEU HD2 . 10006 1 413 . 1 1 38 38 LEU C C 13 178.194 0.300 . 1 . . . . 38 LEU C . 10006 1 414 . 1 1 38 38 LEU CA C 13 56.479 0.300 . 1 . . . . 38 LEU CA . 10006 1 415 . 1 1 38 38 LEU CB C 13 42.042 0.300 . 1 . . . . 38 LEU CB . 10006 1 416 . 1 1 38 38 LEU CG C 13 27.634 0.300 . 1 . . . . 38 LEU CG . 10006 1 417 . 1 1 38 38 LEU CD1 C 13 24.915 0.300 . 2 . . . . 38 LEU CD1 . 10006 1 418 . 1 1 38 38 LEU CD2 C 13 23.856 0.300 . 2 . . . . 38 LEU CD2 . 10006 1 419 . 1 1 38 38 LEU N N 15 120.152 0.300 . 1 . . . . 38 LEU N . 10006 1 420 . 1 1 39 39 GLU H H 1 8.531 0.030 . 1 . . . . 39 GLU H . 10006 1 421 . 1 1 39 39 GLU HA H 1 4.194 0.030 . 1 . . . . 39 GLU HA . 10006 1 422 . 1 1 39 39 GLU HB2 H 1 2.158 0.030 . 2 . . . . 39 GLU HB2 . 10006 1 423 . 1 1 39 39 GLU HB3 H 1 1.978 0.030 . 2 . . . . 39 GLU HB3 . 10006 1 424 . 1 1 39 39 GLU HG2 H 1 2.270 0.030 . 1 . . . . 39 GLU HG2 . 10006 1 425 . 1 1 39 39 GLU HG3 H 1 2.270 0.030 . 1 . . . . 39 GLU HG3 . 10006 1 426 . 1 1 39 39 GLU C C 13 176.430 0.300 . 1 . . . . 39 GLU C . 10006 1 427 . 1 1 39 39 GLU CA C 13 56.785 0.300 . 1 . . . . 39 GLU CA . 10006 1 428 . 1 1 39 39 GLU CB C 13 29.621 0.300 . 1 . . . . 39 GLU CB . 10006 1 429 . 1 1 39 39 GLU CG C 13 36.403 0.300 . 1 . . . . 39 GLU CG . 10006 1 430 . 1 1 39 39 GLU N N 15 118.367 0.300 . 1 . . . . 39 GLU N . 10006 1 431 . 1 1 40 40 GLN H H 1 8.076 0.030 . 1 . . . . 40 GLN H . 10006 1 432 . 1 1 40 40 GLN HA H 1 4.284 0.030 . 1 . . . . 40 GLN HA . 10006 1 433 . 1 1 40 40 GLN HB2 H 1 2.155 0.030 . 2 . . . . 40 GLN HB2 . 10006 1 434 . 1 1 40 40 GLN HB3 H 1 1.981 0.030 . 2 . . . . 40 GLN HB3 . 10006 1 435 . 1 1 40 40 GLN HG2 H 1 2.333 0.030 . 1 . . . . 40 GLN HG2 . 10006 1 436 . 1 1 40 40 GLN HG3 H 1 2.333 0.030 . 1 . . . . 40 GLN HG3 . 10006 1 437 . 1 1 40 40 GLN HE21 H 1 7.721 0.030 . 2 . . . . 40 GLN HE21 . 10006 1 438 . 1 1 40 40 GLN HE22 H 1 6.852 0.030 . 2 . . . . 40 GLN HE22 . 10006 1 439 . 1 1 40 40 GLN C C 13 175.916 0.300 . 1 . . . . 40 GLN C . 10006 1 440 . 1 1 40 40 GLN CA C 13 55.831 0.300 . 1 . . . . 40 GLN CA . 10006 1 441 . 1 1 40 40 GLN CB C 13 28.594 0.300 . 1 . . . . 40 GLN CB . 10006 1 442 . 1 1 40 40 GLN CG C 13 34.115 0.300 . 1 . . . . 40 GLN CG . 10006 1 443 . 1 1 40 40 GLN N N 15 119.914 0.300 . 1 . . . . 40 GLN N . 10006 1 444 . 1 1 40 40 GLN NE2 N 15 112.625 0.300 . 1 . . . . 40 GLN NE2 . 10006 1 445 . 1 1 41 41 LYS H H 1 8.600 0.030 . 1 . . . . 41 LYS H . 10006 1 446 . 1 1 41 41 LYS HA H 1 4.119 0.030 . 1 . . . . 41 LYS HA . 10006 1 447 . 1 1 41 41 LYS HB2 H 1 1.810 0.030 . 1 . . . . 41 LYS HB2 . 10006 1 448 . 1 1 41 41 LYS HB3 H 1 1.810 0.030 . 1 . . . . 41 LYS HB3 . 10006 1 449 . 1 1 41 41 LYS HG2 H 1 1.415 0.030 . 1 . . . . 41 LYS HG2 . 10006 1 450 . 1 1 41 41 LYS HG3 H 1 1.415 0.030 . 1 . . . . 41 LYS HG3 . 10006 1 451 . 1 1 41 41 LYS HE2 H 1 2.988 0.030 . 1 . . . . 41 LYS HE2 . 10006 1 452 . 1 1 41 41 LYS HE3 H 1 2.988 0.030 . 1 . . . . 41 LYS HE3 . 10006 1 453 . 1 1 41 41 LYS C C 13 177.438 0.300 . 1 . . . . 41 LYS C . 10006 1 454 . 1 1 41 41 LYS CA C 13 57.597 0.300 . 1 . . . . 41 LYS CA . 10006 1 455 . 1 1 41 41 LYS CB C 13 32.852 0.300 . 1 . . . . 41 LYS CB . 10006 1 456 . 1 1 41 41 LYS CG C 13 24.813 0.300 . 1 . . . . 41 LYS CG . 10006 1 457 . 1 1 41 41 LYS CD C 13 29.051 0.300 . 1 . . . . 41 LYS CD . 10006 1 458 . 1 1 41 41 LYS CE C 13 42.244 0.300 . 1 . . . . 41 LYS CE . 10006 1 459 . 1 1 41 41 LYS N N 15 121.977 0.300 . 1 . . . . 41 LYS N . 10006 1 460 . 1 1 42 42 GLU H H 1 8.502 0.030 . 1 . . . . 42 GLU H . 10006 1 461 . 1 1 42 42 GLU HA H 1 4.341 0.030 . 1 . . . . 42 GLU HA . 10006 1 462 . 1 1 42 42 GLU HB2 H 1 2.065 0.030 . 2 . . . . 42 GLU HB2 . 10006 1 463 . 1 1 42 42 GLU HB3 H 1 1.936 0.030 . 2 . . . . 42 GLU HB3 . 10006 1 464 . 1 1 42 42 GLU HG2 H 1 2.237 0.030 . 1 . . . . 42 GLU HG2 . 10006 1 465 . 1 1 42 42 GLU HG3 H 1 2.237 0.030 . 1 . . . . 42 GLU HG3 . 10006 1 466 . 1 1 42 42 GLU C C 13 176.420 0.300 . 1 . . . . 42 GLU C . 10006 1 467 . 1 1 42 42 GLU CA C 13 56.065 0.300 . 1 . . . . 42 GLU CA . 10006 1 468 . 1 1 42 42 GLU CB C 13 29.991 0.300 . 1 . . . . 42 GLU CB . 10006 1 469 . 1 1 42 42 GLU CG C 13 36.268 0.300 . 1 . . . . 42 GLU CG . 10006 1 470 . 1 1 42 42 GLU N N 15 119.398 0.300 . 1 . . . . 42 GLU N . 10006 1 471 . 1 1 43 43 LYS H H 1 8.218 0.030 . 1 . . . . 43 LYS H . 10006 1 472 . 1 1 43 43 LYS HA H 1 4.170 0.030 . 1 . . . . 43 LYS HA . 10006 1 473 . 1 1 43 43 LYS HB2 H 1 1.760 0.030 . 1 . . . . 43 LYS HB2 . 10006 1 474 . 1 1 43 43 LYS HB3 H 1 1.760 0.030 . 1 . . . . 43 LYS HB3 . 10006 1 475 . 1 1 43 43 LYS HG2 H 1 1.441 0.030 . 2 . . . . 43 LYS HG2 . 10006 1 476 . 1 1 43 43 LYS HG3 H 1 1.369 0.030 . 2 . . . . 43 LYS HG3 . 10006 1 477 . 1 1 43 43 LYS HE2 H 1 2.948 0.030 . 1 . . . . 43 LYS HE2 . 10006 1 478 . 1 1 43 43 LYS HE3 H 1 2.948 0.030 . 1 . . . . 43 LYS HE3 . 10006 1 479 . 1 1 43 43 LYS C C 13 176.753 0.300 . 1 . . . . 43 LYS C . 10006 1 480 . 1 1 43 43 LYS CA C 13 56.408 0.300 . 1 . . . . 43 LYS CA . 10006 1 481 . 1 1 43 43 LYS CB C 13 32.613 0.300 . 1 . . . . 43 LYS CB . 10006 1 482 . 1 1 43 43 LYS CG C 13 24.921 0.300 . 1 . . . . 43 LYS CG . 10006 1 483 . 1 1 43 43 LYS CD C 13 29.051 0.300 . 1 . . . . 43 LYS CD . 10006 1 484 . 1 1 43 43 LYS CE C 13 42.312 0.300 . 1 . . . . 43 LYS CE . 10006 1 485 . 1 1 43 43 LYS N N 15 121.920 0.300 . 1 . . . . 43 LYS N . 10006 1 486 . 1 1 44 44 ARG H H 1 8.322 0.030 . 1 . . . . 44 ARG H . 10006 1 487 . 1 1 44 44 ARG HA H 1 3.713 0.030 . 1 . . . . 44 ARG HA . 10006 1 488 . 1 1 44 44 ARG HB2 H 1 1.304 0.030 . 2 . . . . 44 ARG HB2 . 10006 1 489 . 1 1 44 44 ARG HB3 H 1 1.086 0.030 . 2 . . . . 44 ARG HB3 . 10006 1 490 . 1 1 44 44 ARG HG2 H 1 1.176 0.030 . 2 . . . . 44 ARG HG2 . 10006 1 491 . 1 1 44 44 ARG HG3 H 1 0.866 0.030 . 2 . . . . 44 ARG HG3 . 10006 1 492 . 1 1 44 44 ARG HD2 H 1 2.466 0.030 . 2 . . . . 44 ARG HD2 . 10006 1 493 . 1 1 44 44 ARG HD3 H 1 2.408 0.030 . 2 . . . . 44 ARG HD3 . 10006 1 494 . 1 1 44 44 ARG C C 13 175.583 0.300 . 1 . . . . 44 ARG C . 10006 1 495 . 1 1 44 44 ARG CA C 13 56.262 0.300 . 1 . . . . 44 ARG CA . 10006 1 496 . 1 1 44 44 ARG CB C 13 29.419 0.300 . 1 . . . . 44 ARG CB . 10006 1 497 . 1 1 44 44 ARG CG C 13 26.889 0.300 . 1 . . . . 44 ARG CG . 10006 1 498 . 1 1 44 44 ARG CD C 13 43.222 0.300 . 1 . . . . 44 ARG CD . 10006 1 499 . 1 1 44 44 ARG N N 15 122.258 0.300 . 1 . . . . 44 ARG N . 10006 1 500 . 1 1 45 45 GLN H H 1 8.128 0.030 . 1 . . . . 45 GLN H . 10006 1 501 . 1 1 45 45 GLN HA H 1 4.546 0.030 . 1 . . . . 45 GLN HA . 10006 1 502 . 1 1 45 45 GLN HB2 H 1 2.119 0.030 . 2 . . . . 45 GLN HB2 . 10006 1 503 . 1 1 45 45 GLN HB3 H 1 1.949 0.030 . 2 . . . . 45 GLN HB3 . 10006 1 504 . 1 1 45 45 GLN HG2 H 1 2.304 0.030 . 1 . . . . 45 GLN HG2 . 10006 1 505 . 1 1 45 45 GLN HG3 H 1 2.304 0.030 . 1 . . . . 45 GLN HG3 . 10006 1 506 . 1 1 45 45 GLN HE21 H 1 7.492 0.030 . 2 . . . . 45 GLN HE21 . 10006 1 507 . 1 1 45 45 GLN HE22 H 1 6.851 0.030 . 2 . . . . 45 GLN HE22 . 10006 1 508 . 1 1 45 45 GLN C C 13 176.249 0.300 . 1 . . . . 45 GLN C . 10006 1 509 . 1 1 45 45 GLN CA C 13 55.188 0.300 . 1 . . . . 45 GLN CA . 10006 1 510 . 1 1 45 45 GLN CB C 13 30.712 0.300 . 1 . . . . 45 GLN CB . 10006 1 511 . 1 1 45 45 GLN CG C 13 33.768 0.300 . 1 . . . . 45 GLN CG . 10006 1 512 . 1 1 45 45 GLN N N 15 119.973 0.300 . 1 . . . . 45 GLN N . 10006 1 513 . 1 1 45 45 GLN NE2 N 15 112.363 0.300 . 1 . . . . 45 GLN NE2 . 10006 1 514 . 1 1 46 46 GLY H H 1 8.469 0.030 . 1 . . . . 46 GLY H . 10006 1 515 . 1 1 46 46 GLY HA2 H 1 4.199 0.030 . 2 . . . . 46 GLY HA2 . 10006 1 516 . 1 1 46 46 GLY HA3 H 1 4.055 0.030 . 2 . . . . 46 GLY HA3 . 10006 1 517 . 1 1 46 46 GLY C C 13 171.644 0.300 . 1 . . . . 46 GLY C . 10006 1 518 . 1 1 46 46 GLY CA C 13 44.686 0.300 . 1 . . . . 46 GLY CA . 10006 1 519 . 1 1 46 46 GLY N N 15 109.601 0.300 . 1 . . . . 46 GLY N . 10006 1 520 . 1 1 47 47 PRO HA H 1 4.300 0.030 . 1 . . . . 47 PRO HA . 10006 1 521 . 1 1 47 47 PRO HB2 H 1 2.245 0.030 . 2 . . . . 47 PRO HB2 . 10006 1 522 . 1 1 47 47 PRO HB3 H 1 1.911 0.030 . 2 . . . . 47 PRO HB3 . 10006 1 523 . 1 1 47 47 PRO HG2 H 1 1.883 0.030 . 1 . . . . 47 PRO HG2 . 10006 1 524 . 1 1 47 47 PRO HG3 H 1 1.883 0.030 . 1 . . . . 47 PRO HG3 . 10006 1 525 . 1 1 47 47 PRO HD2 H 1 3.546 0.030 . 1 . . . . 47 PRO HD2 . 10006 1 526 . 1 1 47 47 PRO HD3 H 1 3.546 0.030 . 1 . . . . 47 PRO HD3 . 10006 1 527 . 1 1 47 47 PRO C C 13 176.993 0.300 . 1 . . . . 47 PRO C . 10006 1 528 . 1 1 47 47 PRO CA C 13 62.883 0.300 . 1 . . . . 47 PRO CA . 10006 1 529 . 1 1 47 47 PRO CB C 13 32.268 0.300 . 1 . . . . 47 PRO CB . 10006 1 530 . 1 1 47 47 PRO CG C 13 27.411 0.300 . 1 . . . . 47 PRO CG . 10006 1 531 . 1 1 47 47 PRO CD C 13 49.571 0.300 . 1 . . . . 47 PRO CD . 10006 1 532 . 1 1 48 48 GLN H H 1 8.057 0.030 . 1 . . . . 48 GLN H . 10006 1 533 . 1 1 48 48 GLN HA H 1 1.603 0.030 . 1 . . . . 48 GLN HA . 10006 1 534 . 1 1 48 48 GLN HB2 H 1 1.095 0.030 . 2 . . . . 48 GLN HB2 . 10006 1 535 . 1 1 48 48 GLN HB3 H 1 1.048 0.030 . 2 . . . . 48 GLN HB3 . 10006 1 536 . 1 1 48 48 GLN HG2 H 1 1.161 0.030 . 1 . . . . 48 GLN HG2 . 10006 1 537 . 1 1 48 48 GLN HG3 H 1 1.161 0.030 . 1 . . . . 48 GLN HG3 . 10006 1 538 . 1 1 48 48 GLN HE21 H 1 6.727 0.030 . 2 . . . . 48 GLN HE21 . 10006 1 539 . 1 1 48 48 GLN HE22 H 1 6.633 0.030 . 2 . . . . 48 GLN HE22 . 10006 1 540 . 1 1 48 48 GLN C C 13 176.631 0.300 . 1 . . . . 48 GLN C . 10006 1 541 . 1 1 48 48 GLN CA C 13 57.053 0.300 . 1 . . . . 48 GLN CA . 10006 1 542 . 1 1 48 48 GLN CB C 13 28.151 0.300 . 1 . . . . 48 GLN CB . 10006 1 543 . 1 1 48 48 GLN CG C 13 33.426 0.300 . 1 . . . . 48 GLN CG . 10006 1 544 . 1 1 48 48 GLN N N 15 121.117 0.300 . 1 . . . . 48 GLN N . 10006 1 545 . 1 1 48 48 GLN NE2 N 15 111.577 0.300 . 1 . . . . 48 GLN NE2 . 10006 1 546 . 1 1 49 49 GLU H H 1 8.596 0.030 . 1 . . . . 49 GLU H . 10006 1 547 . 1 1 49 49 GLU HA H 1 3.999 0.030 . 1 . . . . 49 GLU HA . 10006 1 548 . 1 1 49 49 GLU HB2 H 1 1.938 0.030 . 1 . . . . 49 GLU HB2 . 10006 1 549 . 1 1 49 49 GLU HB3 H 1 1.938 0.030 . 1 . . . . 49 GLU HB3 . 10006 1 550 . 1 1 49 49 GLU HG2 H 1 2.209 0.030 . 1 . . . . 49 GLU HG2 . 10006 1 551 . 1 1 49 49 GLU HG3 H 1 2.209 0.030 . 1 . . . . 49 GLU HG3 . 10006 1 552 . 1 1 49 49 GLU C C 13 177.227 0.300 . 1 . . . . 49 GLU C . 10006 1 553 . 1 1 49 49 GLU CA C 13 58.682 0.300 . 1 . . . . 49 GLU CA . 10006 1 554 . 1 1 49 49 GLU CB C 13 28.707 0.300 . 1 . . . . 49 GLU CB . 10006 1 555 . 1 1 49 49 GLU CG C 13 36.502 0.300 . 1 . . . . 49 GLU CG . 10006 1 556 . 1 1 49 49 GLU N N 15 116.992 0.300 . 1 . . . . 49 GLU N . 10006 1 557 . 1 1 50 50 GLN H H 1 7.918 0.030 . 1 . . . . 50 GLN H . 10006 1 558 . 1 1 50 50 GLN HA H 1 4.417 0.030 . 1 . . . . 50 GLN HA . 10006 1 559 . 1 1 50 50 GLN HB2 H 1 2.337 0.030 . 2 . . . . 50 GLN HB2 . 10006 1 560 . 1 1 50 50 GLN HB3 H 1 2.017 0.030 . 2 . . . . 50 GLN HB3 . 10006 1 561 . 1 1 50 50 GLN HG2 H 1 2.306 0.030 . 1 . . . . 50 GLN HG2 . 10006 1 562 . 1 1 50 50 GLN HG3 H 1 2.306 0.030 . 1 . . . . 50 GLN HG3 . 10006 1 563 . 1 1 50 50 GLN HE21 H 1 7.574 0.030 . 2 . . . . 50 GLN HE21 . 10006 1 564 . 1 1 50 50 GLN HE22 H 1 6.861 0.030 . 2 . . . . 50 GLN HE22 . 10006 1 565 . 1 1 50 50 GLN C C 13 175.695 0.300 . 1 . . . . 50 GLN C . 10006 1 566 . 1 1 50 50 GLN CA C 13 55.255 0.300 . 1 . . . . 50 GLN CA . 10006 1 567 . 1 1 50 50 GLN CB C 13 28.980 0.300 . 1 . . . . 50 GLN CB . 10006 1 568 . 1 1 50 50 GLN CG C 13 34.080 0.300 . 1 . . . . 50 GLN CG . 10006 1 569 . 1 1 50 50 GLN N N 15 116.648 0.300 . 1 . . . . 50 GLN N . 10006 1 570 . 1 1 50 50 GLN NE2 N 15 111.856 0.300 . 1 . . . . 50 GLN NE2 . 10006 1 571 . 1 1 51 51 TRP H H 1 7.827 0.030 . 1 . . . . 51 TRP H . 10006 1 572 . 1 1 51 51 TRP HA H 1 4.871 0.030 . 1 . . . . 51 TRP HA . 10006 1 573 . 1 1 51 51 TRP HB2 H 1 3.390 0.030 . 2 . . . . 51 TRP HB2 . 10006 1 574 . 1 1 51 51 TRP HB3 H 1 3.241 0.030 . 2 . . . . 51 TRP HB3 . 10006 1 575 . 1 1 51 51 TRP HD1 H 1 6.782 0.030 . 1 . . . . 51 TRP HD1 . 10006 1 576 . 1 1 51 51 TRP HE1 H 1 9.180 0.030 . 1 . . . . 51 TRP HE1 . 10006 1 577 . 1 1 51 51 TRP HE3 H 1 6.971 0.030 . 1 . . . . 51 TRP HE3 . 10006 1 578 . 1 1 51 51 TRP HZ2 H 1 7.345 0.030 . 1 . . . . 51 TRP HZ2 . 10006 1 579 . 1 1 51 51 TRP HZ3 H 1 6.915 0.030 . 1 . . . . 51 TRP HZ3 . 10006 1 580 . 1 1 51 51 TRP HH2 H 1 7.140 0.030 . 1 . . . . 51 TRP HH2 . 10006 1 581 . 1 1 51 51 TRP C C 13 177.196 0.300 . 1 . . . . 51 TRP C . 10006 1 582 . 1 1 51 51 TRP CA C 13 55.518 0.300 . 1 . . . . 51 TRP CA . 10006 1 583 . 1 1 51 51 TRP CB C 13 30.262 0.300 . 1 . . . . 51 TRP CB . 10006 1 584 . 1 1 51 51 TRP CD1 C 13 125.325 0.300 . 1 . . . . 51 TRP CD1 . 10006 1 585 . 1 1 51 51 TRP CE3 C 13 121.015 0.300 . 1 . . . . 51 TRP CE3 . 10006 1 586 . 1 1 51 51 TRP CZ2 C 13 114.550 0.300 . 1 . . . . 51 TRP CZ2 . 10006 1 587 . 1 1 51 51 TRP CZ3 C 13 121.133 0.300 . 1 . . . . 51 TRP CZ3 . 10006 1 588 . 1 1 51 51 TRP CH2 C 13 124.523 0.300 . 1 . . . . 51 TRP CH2 . 10006 1 589 . 1 1 51 51 TRP N N 15 121.805 0.300 . 1 . . . . 51 TRP N . 10006 1 590 . 1 1 51 51 TRP NE1 N 15 127.801 0.300 . 1 . . . . 51 TRP NE1 . 10006 1 591 . 1 1 52 52 LEU H H 1 8.558 0.030 . 1 . . . . 52 LEU H . 10006 1 592 . 1 1 52 52 LEU HA H 1 4.186 0.030 . 1 . . . . 52 LEU HA . 10006 1 593 . 1 1 52 52 LEU HB2 H 1 1.515 0.030 . 2 . . . . 52 LEU HB2 . 10006 1 594 . 1 1 52 52 LEU HB3 H 1 0.893 0.030 . 2 . . . . 52 LEU HB3 . 10006 1 595 . 1 1 52 52 LEU HG H 1 1.738 0.030 . 1 . . . . 52 LEU HG . 10006 1 596 . 1 1 52 52 LEU HD11 H 1 0.908 0.030 . 1 . . . . 52 LEU HD1 . 10006 1 597 . 1 1 52 52 LEU HD12 H 1 0.908 0.030 . 1 . . . . 52 LEU HD1 . 10006 1 598 . 1 1 52 52 LEU HD13 H 1 0.908 0.030 . 1 . . . . 52 LEU HD1 . 10006 1 599 . 1 1 52 52 LEU HD21 H 1 0.780 0.030 . 1 . . . . 52 LEU HD2 . 10006 1 600 . 1 1 52 52 LEU HD22 H 1 0.780 0.030 . 1 . . . . 52 LEU HD2 . 10006 1 601 . 1 1 52 52 LEU HD23 H 1 0.780 0.030 . 1 . . . . 52 LEU HD2 . 10006 1 602 . 1 1 52 52 LEU C C 13 174.888 0.300 . 1 . . . . 52 LEU C . 10006 1 603 . 1 1 52 52 LEU CA C 13 55.674 0.300 . 1 . . . . 52 LEU CA . 10006 1 604 . 1 1 52 52 LEU CB C 13 42.085 0.300 . 1 . . . . 52 LEU CB . 10006 1 605 . 1 1 52 52 LEU CG C 13 26.598 0.300 . 1 . . . . 52 LEU CG . 10006 1 606 . 1 1 52 52 LEU CD1 C 13 25.247 0.300 . 2 . . . . 52 LEU CD1 . 10006 1 607 . 1 1 52 52 LEU CD2 C 13 23.295 0.300 . 2 . . . . 52 LEU CD2 . 10006 1 608 . 1 1 52 52 LEU N N 15 121.289 0.300 . 1 . . . . 52 LEU N . 10006 1 609 . 1 1 53 53 ARG H H 1 8.079 0.030 . 1 . . . . 53 ARG H . 10006 1 610 . 1 1 53 53 ARG HA H 1 4.161 0.030 . 1 . . . . 53 ARG HA . 10006 1 611 . 1 1 53 53 ARG HB2 H 1 1.486 0.030 . 2 . . . . 53 ARG HB2 . 10006 1 612 . 1 1 53 53 ARG HB3 H 1 1.452 0.030 . 2 . . . . 53 ARG HB3 . 10006 1 613 . 1 1 53 53 ARG HG2 H 1 1.195 0.030 . 2 . . . . 53 ARG HG2 . 10006 1 614 . 1 1 53 53 ARG HG3 H 1 0.969 0.030 . 2 . . . . 53 ARG HG3 . 10006 1 615 . 1 1 53 53 ARG HD2 H 1 2.927 0.030 . 2 . . . . 53 ARG HD2 . 10006 1 616 . 1 1 53 53 ARG HD3 H 1 2.851 0.030 . 2 . . . . 53 ARG HD3 . 10006 1 617 . 1 1 53 53 ARG C C 13 174.939 0.300 . 1 . . . . 53 ARG C . 10006 1 618 . 1 1 53 53 ARG CA C 13 54.633 0.300 . 1 . . . . 53 ARG CA . 10006 1 619 . 1 1 53 53 ARG CB C 13 33.636 0.300 . 1 . . . . 53 ARG CB . 10006 1 620 . 1 1 53 53 ARG CG C 13 27.867 0.300 . 1 . . . . 53 ARG CG . 10006 1 621 . 1 1 53 53 ARG CD C 13 43.406 0.300 . 1 . . . . 53 ARG CD . 10006 1 622 . 1 1 53 53 ARG N N 15 120.373 0.300 . 1 . . . . 53 ARG N . 10006 1 623 . 1 1 54 54 PHE H H 1 8.691 0.030 . 1 . . . . 54 PHE H . 10006 1 624 . 1 1 54 54 PHE HA H 1 5.587 0.030 . 1 . . . . 54 PHE HA . 10006 1 625 . 1 1 54 54 PHE HB2 H 1 3.281 0.030 . 2 . . . . 54 PHE HB2 . 10006 1 626 . 1 1 54 54 PHE HB3 H 1 3.036 0.030 . 2 . . . . 54 PHE HB3 . 10006 1 627 . 1 1 54 54 PHE HD1 H 1 7.493 0.030 . 1 . . . . 54 PHE HD1 . 10006 1 628 . 1 1 54 54 PHE HD2 H 1 7.493 0.030 . 1 . . . . 54 PHE HD2 . 10006 1 629 . 1 1 54 54 PHE HE1 H 1 7.438 0.030 . 1 . . . . 54 PHE HE1 . 10006 1 630 . 1 1 54 54 PHE HE2 H 1 7.438 0.030 . 1 . . . . 54 PHE HE2 . 10006 1 631 . 1 1 54 54 PHE HZ H 1 7.416 0.030 . 1 . . . . 54 PHE HZ . 10006 1 632 . 1 1 54 54 PHE C C 13 175.644 0.300 . 1 . . . . 54 PHE C . 10006 1 633 . 1 1 54 54 PHE CA C 13 56.411 0.300 . 1 . . . . 54 PHE CA . 10006 1 634 . 1 1 54 54 PHE CB C 13 42.284 0.300 . 1 . . . . 54 PHE CB . 10006 1 635 . 1 1 54 54 PHE CD1 C 13 132.508 0.300 . 1 . . . . 54 PHE CD1 . 10006 1 636 . 1 1 54 54 PHE CD2 C 13 132.508 0.300 . 1 . . . . 54 PHE CD2 . 10006 1 637 . 1 1 54 54 PHE CE1 C 13 131.918 0.300 . 1 . . . . 54 PHE CE1 . 10006 1 638 . 1 1 54 54 PHE CE2 C 13 131.918 0.300 . 1 . . . . 54 PHE CE2 . 10006 1 639 . 1 1 54 54 PHE CZ C 13 130.161 0.300 . 1 . . . . 54 PHE CZ . 10006 1 640 . 1 1 54 54 PHE N N 15 124.590 0.300 . 1 . . . . 54 PHE N . 10006 1 641 . 1 1 55 55 SER H H 1 9.069 0.030 . 1 . . . . 55 SER H . 10006 1 642 . 1 1 55 55 SER HA H 1 5.716 0.030 . 1 . . . . 55 SER HA . 10006 1 643 . 1 1 55 55 SER HB2 H 1 3.926 0.030 . 2 . . . . 55 SER HB2 . 10006 1 644 . 1 1 55 55 SER HB3 H 1 3.623 0.030 . 2 . . . . 55 SER HB3 . 10006 1 645 . 1 1 55 55 SER C C 13 172.872 0.300 . 1 . . . . 55 SER C . 10006 1 646 . 1 1 55 55 SER CA C 13 56.500 0.300 . 1 . . . . 55 SER CA . 10006 1 647 . 1 1 55 55 SER CB C 13 65.558 0.300 . 1 . . . . 55 SER CB . 10006 1 648 . 1 1 55 55 SER N N 15 113.555 0.300 . 1 . . . . 55 SER N . 10006 1 649 . 1 1 56 56 ILE H H 1 8.866 0.030 . 1 . . . . 56 ILE H . 10006 1 650 . 1 1 56 56 ILE HA H 1 4.910 0.030 . 1 . . . . 56 ILE HA . 10006 1 651 . 1 1 56 56 ILE HB H 1 1.813 0.030 . 1 . . . . 56 ILE HB . 10006 1 652 . 1 1 56 56 ILE HG12 H 1 0.941 0.030 . 1 . . . . 56 ILE HG12 . 10006 1 653 . 1 1 56 56 ILE HG13 H 1 0.941 0.030 . 1 . . . . 56 ILE HG13 . 10006 1 654 . 1 1 56 56 ILE HG21 H 1 0.736 0.030 . 1 . . . . 56 ILE HG2 . 10006 1 655 . 1 1 56 56 ILE HG22 H 1 0.736 0.030 . 1 . . . . 56 ILE HG2 . 10006 1 656 . 1 1 56 56 ILE HG23 H 1 0.736 0.030 . 1 . . . . 56 ILE HG2 . 10006 1 657 . 1 1 56 56 ILE HD11 H 1 0.024 0.030 . 1 . . . . 56 ILE HD1 . 10006 1 658 . 1 1 56 56 ILE HD12 H 1 0.024 0.030 . 1 . . . . 56 ILE HD1 . 10006 1 659 . 1 1 56 56 ILE HD13 H 1 0.024 0.030 . 1 . . . . 56 ILE HD1 . 10006 1 660 . 1 1 56 56 ILE C C 13 175.301 0.300 . 1 . . . . 56 ILE C . 10006 1 661 . 1 1 56 56 ILE CA C 13 57.345 0.300 . 1 . . . . 56 ILE CA . 10006 1 662 . 1 1 56 56 ILE CB C 13 37.735 0.300 . 1 . . . . 56 ILE CB . 10006 1 663 . 1 1 56 56 ILE CG1 C 13 26.353 0.300 . 1 . . . . 56 ILE CG1 . 10006 1 664 . 1 1 56 56 ILE CG2 C 13 17.939 0.300 . 1 . . . . 56 ILE CG2 . 10006 1 665 . 1 1 56 56 ILE CD1 C 13 9.537 0.300 . 1 . . . . 56 ILE CD1 . 10006 1 666 . 1 1 56 56 ILE N N 15 122.836 0.300 . 1 . . . . 56 ILE N . 10006 1 667 . 1 1 57 57 GLU H H 1 9.030 0.030 . 1 . . . . 57 GLU H . 10006 1 668 . 1 1 57 57 GLU HA H 1 5.502 0.030 . 1 . . . . 57 GLU HA . 10006 1 669 . 1 1 57 57 GLU HB2 H 1 1.978 0.030 . 2 . . . . 57 GLU HB2 . 10006 1 670 . 1 1 57 57 GLU HB3 H 1 1.787 0.030 . 2 . . . . 57 GLU HB3 . 10006 1 671 . 1 1 57 57 GLU HG2 H 1 2.023 0.030 . 2 . . . . 57 GLU HG2 . 10006 1 672 . 1 1 57 57 GLU HG3 H 1 1.969 0.030 . 2 . . . . 57 GLU HG3 . 10006 1 673 . 1 1 57 57 GLU C C 13 174.686 0.300 . 1 . . . . 57 GLU C . 10006 1 674 . 1 1 57 57 GLU CA C 13 53.355 0.300 . 1 . . . . 57 GLU CA . 10006 1 675 . 1 1 57 57 GLU CB C 13 34.113 0.300 . 1 . . . . 57 GLU CB . 10006 1 676 . 1 1 57 57 GLU CG C 13 36.140 0.300 . 1 . . . . 57 GLU CG . 10006 1 677 . 1 1 57 57 GLU N N 15 125.684 0.300 . 1 . . . . 57 GLU N . 10006 1 678 . 1 1 58 58 GLU H H 1 9.274 0.030 . 1 . . . . 58 GLU H . 10006 1 679 . 1 1 58 58 GLU HA H 1 5.402 0.030 . 1 . . . . 58 GLU HA . 10006 1 680 . 1 1 58 58 GLU HB2 H 1 2.186 0.030 . 2 . . . . 58 GLU HB2 . 10006 1 681 . 1 1 58 58 GLU HB3 H 1 2.013 0.030 . 2 . . . . 58 GLU HB3 . 10006 1 682 . 1 1 58 58 GLU C C 13 176.501 0.300 . 1 . . . . 58 GLU C . 10006 1 683 . 1 1 58 58 GLU CA C 13 53.622 0.300 . 1 . . . . 58 GLU CA . 10006 1 684 . 1 1 58 58 GLU CB C 13 34.944 0.300 . 1 . . . . 58 GLU CB . 10006 1 685 . 1 1 58 58 GLU CG C 13 34.961 0.300 . 1 . . . . 58 GLU CG . 10006 1 686 . 1 1 58 58 GLU N N 15 123.524 0.300 . 1 . . . . 58 GLU N . 10006 1 687 . 1 1 59 59 GLU H H 1 8.568 0.030 . 1 . . . . 59 GLU H . 10006 1 688 . 1 1 59 59 GLU HA H 1 3.530 0.030 . 1 . . . . 59 GLU HA . 10006 1 689 . 1 1 59 59 GLU HB2 H 1 1.745 0.030 . 2 . . . . 59 GLU HB2 . 10006 1 690 . 1 1 59 59 GLU HB3 H 1 1.261 0.030 . 2 . . . . 59 GLU HB3 . 10006 1 691 . 1 1 59 59 GLU HG2 H 1 1.528 0.030 . 2 . . . . 59 GLU HG2 . 10006 1 692 . 1 1 59 59 GLU HG3 H 1 1.152 0.030 . 2 . . . . 59 GLU HG3 . 10006 1 693 . 1 1 59 59 GLU C C 13 175.745 0.300 . 1 . . . . 59 GLU C . 10006 1 694 . 1 1 59 59 GLU CA C 13 55.943 0.300 . 1 . . . . 59 GLU CA . 10006 1 695 . 1 1 59 59 GLU CB C 13 30.944 0.300 . 1 . . . . 59 GLU CB . 10006 1 696 . 1 1 59 59 GLU CG C 13 36.334 0.300 . 1 . . . . 59 GLU CG . 10006 1 697 . 1 1 59 59 GLU N N 15 130.778 0.300 . 1 . . . . 59 GLU N . 10006 1 698 . 1 1 60 60 ASP H H 1 8.864 0.030 . 1 . . . . 60 ASP H . 10006 1 699 . 1 1 60 60 ASP HA H 1 4.911 0.030 . 1 . . . . 60 ASP HA . 10006 1 700 . 1 1 60 60 ASP HB2 H 1 2.659 0.030 . 2 . . . . 60 ASP HB2 . 10006 1 701 . 1 1 60 60 ASP HB3 H 1 2.612 0.030 . 2 . . . . 60 ASP HB3 . 10006 1 702 . 1 1 60 60 ASP C C 13 175.805 0.300 . 1 . . . . 60 ASP C . 10006 1 703 . 1 1 60 60 ASP CA C 13 51.420 0.300 . 1 . . . . 60 ASP CA . 10006 1 704 . 1 1 60 60 ASP CB C 13 42.091 0.300 . 1 . . . . 60 ASP CB . 10006 1 705 . 1 1 60 60 ASP N N 15 129.883 0.300 . 1 . . . . 60 ASP N . 10006 1 706 . 1 1 61 61 PRO HA H 1 4.140 0.030 . 1 . . . . 61 PRO HA . 10006 1 707 . 1 1 61 61 PRO HB2 H 1 2.242 0.030 . 2 . . . . 61 PRO HB2 . 10006 1 708 . 1 1 61 61 PRO HB3 H 1 1.850 0.030 . 2 . . . . 61 PRO HB3 . 10006 1 709 . 1 1 61 61 PRO HG2 H 1 2.028 0.030 . 2 . . . . 61 PRO HG2 . 10006 1 710 . 1 1 61 61 PRO HG3 H 1 1.846 0.030 . 2 . . . . 61 PRO HG3 . 10006 1 711 . 1 1 61 61 PRO HD2 H 1 3.839 0.030 . 1 . . . . 61 PRO HD2 . 10006 1 712 . 1 1 61 61 PRO HD3 H 1 3.839 0.030 . 1 . . . . 61 PRO HD3 . 10006 1 713 . 1 1 61 61 PRO C C 13 177.073 0.300 . 1 . . . . 61 PRO C . 10006 1 714 . 1 1 61 61 PRO CA C 13 64.121 0.300 . 1 . . . . 61 PRO CA . 10006 1 715 . 1 1 61 61 PRO CB C 13 32.089 0.300 . 1 . . . . 61 PRO CB . 10006 1 716 . 1 1 61 61 PRO CG C 13 26.914 0.300 . 1 . . . . 61 PRO CG . 10006 1 717 . 1 1 61 61 PRO CD C 13 51.159 0.300 . 1 . . . . 61 PRO CD . 10006 1 718 . 1 1 62 62 LYS H H 1 7.953 0.030 . 1 . . . . 62 LYS H . 10006 1 719 . 1 1 62 62 LYS HA H 1 4.119 0.030 . 1 . . . . 62 LYS HA . 10006 1 720 . 1 1 62 62 LYS HB2 H 1 1.770 0.030 . 1 . . . . 62 LYS HB2 . 10006 1 721 . 1 1 62 62 LYS HB3 H 1 1.770 0.030 . 1 . . . . 62 LYS HB3 . 10006 1 722 . 1 1 62 62 LYS HG2 H 1 1.383 0.030 . 2 . . . . 62 LYS HG2 . 10006 1 723 . 1 1 62 62 LYS HG3 H 1 1.286 0.030 . 2 . . . . 62 LYS HG3 . 10006 1 724 . 1 1 62 62 LYS HD2 H 1 1.634 0.030 . 1 . . . . 62 LYS HD2 . 10006 1 725 . 1 1 62 62 LYS HD3 H 1 1.634 0.030 . 1 . . . . 62 LYS HD3 . 10006 1 726 . 1 1 62 62 LYS HE2 H 1 2.948 0.030 . 1 . . . . 62 LYS HE2 . 10006 1 727 . 1 1 62 62 LYS HE3 H 1 2.948 0.030 . 1 . . . . 62 LYS HE3 . 10006 1 728 . 1 1 62 62 LYS C C 13 177.428 0.300 . 1 . . . . 62 LYS C . 10006 1 729 . 1 1 62 62 LYS CA C 13 57.528 0.300 . 1 . . . . 62 LYS CA . 10006 1 730 . 1 1 62 62 LYS CB C 13 32.852 0.300 . 1 . . . . 62 LYS CB . 10006 1 731 . 1 1 62 62 LYS CG C 13 25.192 0.300 . 1 . . . . 62 LYS CG . 10006 1 732 . 1 1 62 62 LYS CD C 13 28.932 0.300 . 1 . . . . 62 LYS CD . 10006 1 733 . 1 1 62 62 LYS CE C 13 42.039 0.300 . 1 . . . . 62 LYS CE . 10006 1 734 . 1 1 62 62 LYS N N 15 117.336 0.300 . 1 . . . . 62 LYS N . 10006 1 735 . 1 1 63 63 MET H H 1 7.738 0.030 . 1 . . . . 63 MET H . 10006 1 736 . 1 1 63 63 MET HA H 1 4.415 0.030 . 1 . . . . 63 MET HA . 10006 1 737 . 1 1 63 63 MET HB2 H 1 2.051 0.030 . 2 . . . . 63 MET HB2 . 10006 1 738 . 1 1 63 63 MET HB3 H 1 1.776 0.030 . 2 . . . . 63 MET HB3 . 10006 1 739 . 1 1 63 63 MET HG2 H 1 2.572 0.030 . 2 . . . . 63 MET HG2 . 10006 1 740 . 1 1 63 63 MET HG3 H 1 2.327 0.030 . 2 . . . . 63 MET HG3 . 10006 1 741 . 1 1 63 63 MET HE1 H 1 2.015 0.030 . 1 . . . . 63 MET HE . 10006 1 742 . 1 1 63 63 MET HE2 H 1 2.015 0.030 . 1 . . . . 63 MET HE . 10006 1 743 . 1 1 63 63 MET HE3 H 1 2.015 0.030 . 1 . . . . 63 MET HE . 10006 1 744 . 1 1 63 63 MET C C 13 176.722 0.300 . 1 . . . . 63 MET C . 10006 1 745 . 1 1 63 63 MET CA C 13 54.257 0.300 . 1 . . . . 63 MET CA . 10006 1 746 . 1 1 63 63 MET CB C 13 32.880 0.300 . 1 . . . . 63 MET CB . 10006 1 747 . 1 1 63 63 MET CG C 13 32.090 0.300 . 1 . . . . 63 MET CG . 10006 1 748 . 1 1 63 63 MET CE C 13 16.590 0.300 . 1 . . . . 63 MET CE . 10006 1 749 . 1 1 63 63 MET N N 15 114.816 0.300 . 1 . . . . 63 MET N . 10006 1 750 . 1 1 64 64 HIS H H 1 8.047 0.030 . 1 . . . . 64 HIS H . 10006 1 751 . 1 1 64 64 HIS HA H 1 4.145 0.030 . 1 . . . . 64 HIS HA . 10006 1 752 . 1 1 64 64 HIS HB2 H 1 3.335 0.030 . 2 . . . . 64 HIS HB2 . 10006 1 753 . 1 1 64 64 HIS HB3 H 1 3.180 0.030 . 2 . . . . 64 HIS HB3 . 10006 1 754 . 1 1 64 64 HIS HD2 H 1 6.910 0.030 . 1 . . . . 64 HIS HD2 . 10006 1 755 . 1 1 64 64 HIS C C 13 173.154 0.300 . 1 . . . . 64 HIS C . 10006 1 756 . 1 1 64 64 HIS CA C 13 56.885 0.300 . 1 . . . . 64 HIS CA . 10006 1 757 . 1 1 64 64 HIS CB C 13 26.302 0.300 . 1 . . . . 64 HIS CB . 10006 1 758 . 1 1 64 64 HIS CD2 C 13 120.432 0.300 . 1 . . . . 64 HIS CD2 . 10006 1 759 . 1 1 64 64 HIS N N 15 114.466 0.300 . 1 . . . . 64 HIS N . 10006 1 760 . 1 1 65 65 SER H H 1 7.103 0.030 . 1 . . . . 65 SER H . 10006 1 761 . 1 1 65 65 SER HA H 1 4.632 0.030 . 1 . . . . 65 SER HA . 10006 1 762 . 1 1 65 65 SER HB2 H 1 3.879 0.030 . 2 . . . . 65 SER HB2 . 10006 1 763 . 1 1 65 65 SER HB3 H 1 3.638 0.030 . 2 . . . . 65 SER HB3 . 10006 1 764 . 1 1 65 65 SER C C 13 172.619 0.300 . 1 . . . . 65 SER C . 10006 1 765 . 1 1 65 65 SER CA C 13 55.954 0.300 . 1 . . . . 65 SER CA . 10006 1 766 . 1 1 65 65 SER CB C 13 65.491 0.300 . 1 . . . . 65 SER CB . 10006 1 767 . 1 1 65 65 SER N N 15 110.457 0.300 . 1 . . . . 65 SER N . 10006 1 768 . 1 1 66 66 TYR H H 1 8.715 0.030 . 1 . . . . 66 TYR H . 10006 1 769 . 1 1 66 66 TYR HA H 1 4.883 0.030 . 1 . . . . 66 TYR HA . 10006 1 770 . 1 1 66 66 TYR HB2 H 1 2.736 0.030 . 2 . . . . 66 TYR HB2 . 10006 1 771 . 1 1 66 66 TYR HB3 H 1 2.609 0.030 . 2 . . . . 66 TYR HB3 . 10006 1 772 . 1 1 66 66 TYR HD1 H 1 6.718 0.030 . 1 . . . . 66 TYR HD1 . 10006 1 773 . 1 1 66 66 TYR HD2 H 1 6.718 0.030 . 1 . . . . 66 TYR HD2 . 10006 1 774 . 1 1 66 66 TYR HE1 H 1 6.435 0.030 . 1 . . . . 66 TYR HE1 . 10006 1 775 . 1 1 66 66 TYR HE2 H 1 6.435 0.030 . 1 . . . . 66 TYR HE2 . 10006 1 776 . 1 1 66 66 TYR C C 13 176.159 0.300 . 1 . . . . 66 TYR C . 10006 1 777 . 1 1 66 66 TYR CA C 13 58.332 0.300 . 1 . . . . 66 TYR CA . 10006 1 778 . 1 1 66 66 TYR CB C 13 41.223 0.300 . 1 . . . . 66 TYR CB . 10006 1 779 . 1 1 66 66 TYR CD1 C 13 132.175 0.300 . 1 . . . . 66 TYR CD1 . 10006 1 780 . 1 1 66 66 TYR CD2 C 13 132.175 0.300 . 1 . . . . 66 TYR CD2 . 10006 1 781 . 1 1 66 66 TYR CE1 C 13 118.832 0.300 . 1 . . . . 66 TYR CE1 . 10006 1 782 . 1 1 66 66 TYR CE2 C 13 118.832 0.300 . 1 . . . . 66 TYR CE2 . 10006 1 783 . 1 1 66 66 TYR N N 15 120.318 0.300 . 1 . . . . 66 TYR N . 10006 1 784 . 1 1 67 67 GLY H H 1 8.423 0.030 . 1 . . . . 67 GLY H . 10006 1 785 . 1 1 67 67 GLY HA2 H 1 4.632 0.030 . 2 . . . . 67 GLY HA2 . 10006 1 786 . 1 1 67 67 GLY HA3 H 1 3.722 0.030 . 2 . . . . 67 GLY HA3 . 10006 1 787 . 1 1 67 67 GLY C C 13 173.073 0.300 . 1 . . . . 67 GLY C . 10006 1 788 . 1 1 67 67 GLY CA C 13 43.705 0.300 . 1 . . . . 67 GLY CA . 10006 1 789 . 1 1 67 67 GLY N N 15 109.856 0.300 . 1 . . . . 67 GLY N . 10006 1 790 . 1 1 68 68 VAL H H 1 8.839 0.030 . 1 . . . . 68 VAL H . 10006 1 791 . 1 1 68 68 VAL HA H 1 4.154 0.030 . 1 . . . . 68 VAL HA . 10006 1 792 . 1 1 68 68 VAL HB H 1 2.011 0.030 . 1 . . . . 68 VAL HB . 10006 1 793 . 1 1 68 68 VAL HG11 H 1 1.038 0.030 . 1 . . . . 68 VAL HG1 . 10006 1 794 . 1 1 68 68 VAL HG12 H 1 1.038 0.030 . 1 . . . . 68 VAL HG1 . 10006 1 795 . 1 1 68 68 VAL HG13 H 1 1.038 0.030 . 1 . . . . 68 VAL HG1 . 10006 1 796 . 1 1 68 68 VAL HG21 H 1 0.831 0.030 . 1 . . . . 68 VAL HG2 . 10006 1 797 . 1 1 68 68 VAL HG22 H 1 0.831 0.030 . 1 . . . . 68 VAL HG2 . 10006 1 798 . 1 1 68 68 VAL HG23 H 1 0.831 0.030 . 1 . . . . 68 VAL HG2 . 10006 1 799 . 1 1 68 68 VAL C C 13 177.207 0.300 . 1 . . . . 68 VAL C . 10006 1 800 . 1 1 68 68 VAL CA C 13 64.146 0.300 . 1 . . . . 68 VAL CA . 10006 1 801 . 1 1 68 68 VAL CB C 13 32.276 0.300 . 1 . . . . 68 VAL CB . 10006 1 802 . 1 1 68 68 VAL CG1 C 13 22.900 0.300 . 2 . . . . 68 VAL CG1 . 10006 1 803 . 1 1 68 68 VAL CG2 C 13 21.675 0.300 . 2 . . . . 68 VAL CG2 . 10006 1 804 . 1 1 68 68 VAL N N 15 124.007 0.300 . 1 . . . . 68 VAL N . 10006 1 805 . 1 1 69 69 ILE H H 1 8.926 0.030 . 1 . . . . 69 ILE H . 10006 1 806 . 1 1 69 69 ILE HA H 1 4.742 0.030 . 1 . . . . 69 ILE HA . 10006 1 807 . 1 1 69 69 ILE HB H 1 2.261 0.030 . 1 . . . . 69 ILE HB . 10006 1 808 . 1 1 69 69 ILE HG12 H 1 1.260 0.030 . 2 . . . . 69 ILE HG12 . 10006 1 809 . 1 1 69 69 ILE HG13 H 1 1.157 0.030 . 2 . . . . 69 ILE HG13 . 10006 1 810 . 1 1 69 69 ILE HG21 H 1 1.095 0.030 . 1 . . . . 69 ILE HG2 . 10006 1 811 . 1 1 69 69 ILE HG22 H 1 1.095 0.030 . 1 . . . . 69 ILE HG2 . 10006 1 812 . 1 1 69 69 ILE HG23 H 1 1.095 0.030 . 1 . . . . 69 ILE HG2 . 10006 1 813 . 1 1 69 69 ILE HD11 H 1 1.161 0.030 . 1 . . . . 69 ILE HD1 . 10006 1 814 . 1 1 69 69 ILE HD12 H 1 1.161 0.030 . 1 . . . . 69 ILE HD1 . 10006 1 815 . 1 1 69 69 ILE HD13 H 1 1.161 0.030 . 1 . . . . 69 ILE HD1 . 10006 1 816 . 1 1 69 69 ILE C C 13 175.150 0.300 . 1 . . . . 69 ILE C . 10006 1 817 . 1 1 69 69 ILE CA C 13 61.043 0.300 . 1 . . . . 69 ILE CA . 10006 1 818 . 1 1 69 69 ILE CB C 13 39.594 0.300 . 1 . . . . 69 ILE CB . 10006 1 819 . 1 1 69 69 ILE CG1 C 13 27.017 0.300 . 1 . . . . 69 ILE CG1 . 10006 1 820 . 1 1 69 69 ILE CG2 C 13 18.720 0.300 . 1 . . . . 69 ILE CG2 . 10006 1 821 . 1 1 69 69 ILE CD1 C 13 16.004 0.300 . 1 . . . . 69 ILE CD1 . 10006 1 822 . 1 1 69 69 ILE N N 15 121.342 0.300 . 1 . . . . 69 ILE N . 10006 1 823 . 1 1 70 70 TYR H H 1 7.460 0.030 . 1 . . . . 70 TYR H . 10006 1 824 . 1 1 70 70 TYR HA H 1 4.416 0.030 . 1 . . . . 70 TYR HA . 10006 1 825 . 1 1 70 70 TYR HB2 H 1 2.262 0.030 . 2 . . . . 70 TYR HB2 . 10006 1 826 . 1 1 70 70 TYR HB3 H 1 1.832 0.030 . 2 . . . . 70 TYR HB3 . 10006 1 827 . 1 1 70 70 TYR HD1 H 1 6.625 0.030 . 1 . . . . 70 TYR HD1 . 10006 1 828 . 1 1 70 70 TYR HD2 H 1 6.625 0.030 . 1 . . . . 70 TYR HD2 . 10006 1 829 . 1 1 70 70 TYR HE1 H 1 6.813 0.030 . 1 . . . . 70 TYR HE1 . 10006 1 830 . 1 1 70 70 TYR HE2 H 1 6.813 0.030 . 1 . . . . 70 TYR HE2 . 10006 1 831 . 1 1 70 70 TYR C C 13 173.960 0.300 . 1 . . . . 70 TYR C . 10006 1 832 . 1 1 70 70 TYR CA C 13 58.596 0.300 . 1 . . . . 70 TYR CA . 10006 1 833 . 1 1 70 70 TYR CB C 13 41.544 0.300 . 1 . . . . 70 TYR CB . 10006 1 834 . 1 1 70 70 TYR CD1 C 13 132.022 0.300 . 1 . . . . 70 TYR CD1 . 10006 1 835 . 1 1 70 70 TYR CD2 C 13 132.022 0.300 . 1 . . . . 70 TYR CD2 . 10006 1 836 . 1 1 70 70 TYR CE1 C 13 118.151 0.300 . 1 . . . . 70 TYR CE1 . 10006 1 837 . 1 1 70 70 TYR CE2 C 13 118.151 0.300 . 1 . . . . 70 TYR CE2 . 10006 1 838 . 1 1 70 70 TYR N N 15 122.171 0.300 . 1 . . . . 70 TYR N . 10006 1 839 . 1 1 71 71 THR H H 1 7.309 0.030 . 1 . . . . 71 THR H . 10006 1 840 . 1 1 71 71 THR HA H 1 4.920 0.030 . 1 . . . . 71 THR HA . 10006 1 841 . 1 1 71 71 THR HB H 1 3.738 0.030 . 1 . . . . 71 THR HB . 10006 1 842 . 1 1 71 71 THR HG21 H 1 0.885 0.030 . 1 . . . . 71 THR HG2 . 10006 1 843 . 1 1 71 71 THR HG22 H 1 0.885 0.030 . 1 . . . . 71 THR HG2 . 10006 1 844 . 1 1 71 71 THR HG23 H 1 0.885 0.030 . 1 . . . . 71 THR HG2 . 10006 1 845 . 1 1 71 71 THR C C 13 171.259 0.300 . 1 . . . . 71 THR C . 10006 1 846 . 1 1 71 71 THR CA C 13 60.128 0.300 . 1 . . . . 71 THR CA . 10006 1 847 . 1 1 71 71 THR CB C 13 70.635 0.300 . 1 . . . . 71 THR CB . 10006 1 848 . 1 1 71 71 THR CG2 C 13 19.020 0.300 . 1 . . . . 71 THR CG2 . 10006 1 849 . 1 1 71 71 THR N N 15 122.724 0.300 . 1 . . . . 71 THR N . 10006 1 850 . 1 1 72 72 GLY H H 1 8.736 0.030 . 1 . . . . 72 GLY H . 10006 1 851 . 1 1 72 72 GLY HA2 H 1 4.388 0.030 . 2 . . . . 72 GLY HA2 . 10006 1 852 . 1 1 72 72 GLY HA3 H 1 3.447 0.030 . 2 . . . . 72 GLY HA3 . 10006 1 853 . 1 1 72 72 GLY C C 13 171.561 0.300 . 1 . . . . 72 GLY C . 10006 1 854 . 1 1 72 72 GLY CA C 13 45.681 0.300 . 1 . . . . 72 GLY CA . 10006 1 855 . 1 1 72 72 GLY N N 15 114.152 0.300 . 1 . . . . 72 GLY N . 10006 1 856 . 1 1 73 73 TYR H H 1 8.889 0.030 . 1 . . . . 73 TYR H . 10006 1 857 . 1 1 73 73 TYR HA H 1 5.191 0.030 . 1 . . . . 73 TYR HA . 10006 1 858 . 1 1 73 73 TYR HB2 H 1 3.755 0.030 . 2 . . . . 73 TYR HB2 . 10006 1 859 . 1 1 73 73 TYR HB3 H 1 2.885 0.030 . 2 . . . . 73 TYR HB3 . 10006 1 860 . 1 1 73 73 TYR HD1 H 1 7.446 0.030 . 1 . . . . 73 TYR HD1 . 10006 1 861 . 1 1 73 73 TYR HD2 H 1 7.446 0.030 . 1 . . . . 73 TYR HD2 . 10006 1 862 . 1 1 73 73 TYR HE1 H 1 6.661 0.030 . 1 . . . . 73 TYR HE1 . 10006 1 863 . 1 1 73 73 TYR HE2 H 1 6.661 0.030 . 1 . . . . 73 TYR HE2 . 10006 1 864 . 1 1 73 73 TYR C C 13 176.299 0.300 . 1 . . . . 73 TYR C . 10006 1 865 . 1 1 73 73 TYR CA C 13 58.215 0.300 . 1 . . . . 73 TYR CA . 10006 1 866 . 1 1 73 73 TYR CB C 13 39.633 0.300 . 1 . . . . 73 TYR CB . 10006 1 867 . 1 1 73 73 TYR CD1 C 13 133.745 0.300 . 1 . . . . 73 TYR CD1 . 10006 1 868 . 1 1 73 73 TYR CD2 C 13 133.745 0.300 . 1 . . . . 73 TYR CD2 . 10006 1 869 . 1 1 73 73 TYR CE1 C 13 118.341 0.300 . 1 . . . . 73 TYR CE1 . 10006 1 870 . 1 1 73 73 TYR CE2 C 13 118.341 0.300 . 1 . . . . 73 TYR CE2 . 10006 1 871 . 1 1 73 73 TYR N N 15 117.763 0.300 . 1 . . . . 73 TYR N . 10006 1 872 . 1 1 74 74 ALA H H 1 8.213 0.030 . 1 . . . . 74 ALA H . 10006 1 873 . 1 1 74 74 ALA HA H 1 4.585 0.030 . 1 . . . . 74 ALA HA . 10006 1 874 . 1 1 74 74 ALA HB1 H 1 1.667 0.030 . 1 . . . . 74 ALA HB . 10006 1 875 . 1 1 74 74 ALA HB2 H 1 1.667 0.030 . 1 . . . . 74 ALA HB . 10006 1 876 . 1 1 74 74 ALA HB3 H 1 1.667 0.030 . 1 . . . . 74 ALA HB . 10006 1 877 . 1 1 74 74 ALA C C 13 175.341 0.300 . 1 . . . . 74 ALA C . 10006 1 878 . 1 1 74 74 ALA CA C 13 52.107 0.300 . 1 . . . . 74 ALA CA . 10006 1 879 . 1 1 74 74 ALA CB C 13 19.984 0.300 . 1 . . . . 74 ALA CB . 10006 1 880 . 1 1 74 74 ALA N N 15 123.352 0.300 . 1 . . . . 74 ALA N . 10006 1 881 . 1 1 75 75 THR H H 1 7.599 0.030 . 1 . . . . 75 THR H . 10006 1 882 . 1 1 75 75 THR HA H 1 2.885 0.030 . 1 . . . . 75 THR HA . 10006 1 883 . 1 1 75 75 THR HB H 1 3.808 0.030 . 1 . . . . 75 THR HB . 10006 1 884 . 1 1 75 75 THR HG21 H 1 0.781 0.030 . 1 . . . . 75 THR HG2 . 10006 1 885 . 1 1 75 75 THR HG22 H 1 0.781 0.030 . 1 . . . . 75 THR HG2 . 10006 1 886 . 1 1 75 75 THR HG23 H 1 0.781 0.030 . 1 . . . . 75 THR HG2 . 10006 1 887 . 1 1 75 75 THR C C 13 171.743 0.300 . 1 . . . . 75 THR C . 10006 1 888 . 1 1 75 75 THR CA C 13 58.865 0.300 . 1 . . . . 75 THR CA . 10006 1 889 . 1 1 75 75 THR CB C 13 67.296 0.300 . 1 . . . . 75 THR CB . 10006 1 890 . 1 1 75 75 THR CG2 C 13 21.600 0.300 . 1 . . . . 75 THR CG2 . 10006 1 891 . 1 1 75 75 THR N N 15 102.893 0.300 . 1 . . . . 75 THR N . 10006 1 892 . 1 1 76 76 ARG H H 1 6.251 0.030 . 1 . . . . 76 ARG H . 10006 1 893 . 1 1 76 76 ARG HA H 1 4.240 0.030 . 1 . . . . 76 ARG HA . 10006 1 894 . 1 1 76 76 ARG HB2 H 1 1.459 0.030 . 2 . . . . 76 ARG HB2 . 10006 1 895 . 1 1 76 76 ARG HB3 H 1 1.298 0.030 . 2 . . . . 76 ARG HB3 . 10006 1 896 . 1 1 76 76 ARG HG2 H 1 1.199 0.030 . 2 . . . . 76 ARG HG2 . 10006 1 897 . 1 1 76 76 ARG HG3 H 1 1.141 0.030 . 2 . . . . 76 ARG HG3 . 10006 1 898 . 1 1 76 76 ARG HD2 H 1 2.958 0.030 . 2 . . . . 76 ARG HD2 . 10006 1 899 . 1 1 76 76 ARG HD3 H 1 2.837 0.030 . 2 . . . . 76 ARG HD3 . 10006 1 900 . 1 1 76 76 ARG C C 13 174.152 0.300 . 1 . . . . 76 ARG C . 10006 1 901 . 1 1 76 76 ARG CA C 13 54.590 0.300 . 1 . . . . 76 ARG CA . 10006 1 902 . 1 1 76 76 ARG CB C 13 33.363 0.300 . 1 . . . . 76 ARG CB . 10006 1 903 . 1 1 76 76 ARG CG C 13 26.727 0.300 . 1 . . . . 76 ARG CG . 10006 1 904 . 1 1 76 76 ARG CD C 13 43.474 0.300 . 1 . . . . 76 ARG CD . 10006 1 905 . 1 1 76 76 ARG N N 15 117.463 0.300 . 1 . . . . 76 ARG N . 10006 1 906 . 1 1 77 77 HIS H H 1 8.850 0.030 . 1 . . . . 77 HIS H . 10006 1 907 . 1 1 77 77 HIS HA H 1 4.453 0.030 . 1 . . . . 77 HIS HA . 10006 1 908 . 1 1 77 77 HIS HB2 H 1 2.541 0.030 . 2 . . . . 77 HIS HB2 . 10006 1 909 . 1 1 77 77 HIS HB3 H 1 2.312 0.030 . 2 . . . . 77 HIS HB3 . 10006 1 910 . 1 1 77 77 HIS HD2 H 1 6.186 0.030 . 1 . . . . 77 HIS HD2 . 10006 1 911 . 1 1 77 77 HIS HE1 H 1 7.887 0.030 . 1 . . . . 77 HIS HE1 . 10006 1 912 . 1 1 77 77 HIS C C 13 172.287 0.300 . 1 . . . . 77 HIS C . 10006 1 913 . 1 1 77 77 HIS CA C 13 56.703 0.300 . 1 . . . . 77 HIS CA . 10006 1 914 . 1 1 77 77 HIS CB C 13 34.185 0.300 . 1 . . . . 77 HIS CB . 10006 1 915 . 1 1 77 77 HIS CD2 C 13 123.148 0.300 . 1 . . . . 77 HIS CD2 . 10006 1 916 . 1 1 77 77 HIS CE1 C 13 139.550 0.300 . 1 . . . . 77 HIS CE1 . 10006 1 917 . 1 1 77 77 HIS N N 15 121.977 0.300 . 1 . . . . 77 HIS N . 10006 1 918 . 1 1 78 78 VAL H H 1 7.342 0.030 . 1 . . . . 78 VAL H . 10006 1 919 . 1 1 78 78 VAL HA H 1 4.138 0.030 . 1 . . . . 78 VAL HA . 10006 1 920 . 1 1 78 78 VAL HB H 1 1.703 0.030 . 1 . . . . 78 VAL HB . 10006 1 921 . 1 1 78 78 VAL HG11 H 1 0.712 0.030 . 1 . . . . 78 VAL HG1 . 10006 1 922 . 1 1 78 78 VAL HG12 H 1 0.712 0.030 . 1 . . . . 78 VAL HG1 . 10006 1 923 . 1 1 78 78 VAL HG13 H 1 0.712 0.030 . 1 . . . . 78 VAL HG1 . 10006 1 924 . 1 1 78 78 VAL HG21 H 1 0.526 0.030 . 1 . . . . 78 VAL HG2 . 10006 1 925 . 1 1 78 78 VAL HG22 H 1 0.526 0.030 . 1 . . . . 78 VAL HG2 . 10006 1 926 . 1 1 78 78 VAL HG23 H 1 0.526 0.030 . 1 . . . . 78 VAL HG2 . 10006 1 927 . 1 1 78 78 VAL C C 13 173.789 0.300 . 1 . . . . 78 VAL C . 10006 1 928 . 1 1 78 78 VAL CA C 13 61.341 0.300 . 1 . . . . 78 VAL CA . 10006 1 929 . 1 1 78 78 VAL CB C 13 31.805 0.300 . 1 . . . . 78 VAL CB . 10006 1 930 . 1 1 78 78 VAL CG1 C 13 20.857 0.300 . 2 . . . . 78 VAL CG1 . 10006 1 931 . 1 1 78 78 VAL CG2 C 13 20.984 0.300 . 2 . . . . 78 VAL CG2 . 10006 1 932 . 1 1 78 78 VAL N N 15 126.064 0.300 . 1 . . . . 78 VAL N . 10006 1 933 . 1 1 79 79 VAL H H 1 8.816 0.030 . 1 . . . . 79 VAL H . 10006 1 934 . 1 1 79 79 VAL HA H 1 3.617 0.030 . 1 . . . . 79 VAL HA . 10006 1 935 . 1 1 79 79 VAL HB H 1 1.957 0.030 . 1 . . . . 79 VAL HB . 10006 1 936 . 1 1 79 79 VAL HG11 H 1 0.955 0.030 . 1 . . . . 79 VAL HG1 . 10006 1 937 . 1 1 79 79 VAL HG12 H 1 0.955 0.030 . 1 . . . . 79 VAL HG1 . 10006 1 938 . 1 1 79 79 VAL HG13 H 1 0.955 0.030 . 1 . . . . 79 VAL HG1 . 10006 1 939 . 1 1 79 79 VAL HG21 H 1 0.563 0.030 . 1 . . . . 79 VAL HG2 . 10006 1 940 . 1 1 79 79 VAL HG22 H 1 0.563 0.030 . 1 . . . . 79 VAL HG2 . 10006 1 941 . 1 1 79 79 VAL HG23 H 1 0.563 0.030 . 1 . . . . 79 VAL HG2 . 10006 1 942 . 1 1 79 79 VAL C C 13 174.747 0.300 . 1 . . . . 79 VAL C . 10006 1 943 . 1 1 79 79 VAL CA C 13 62.457 0.300 . 1 . . . . 79 VAL CA . 10006 1 944 . 1 1 79 79 VAL CB C 13 31.297 0.300 . 1 . . . . 79 VAL CB . 10006 1 945 . 1 1 79 79 VAL CG1 C 13 22.843 0.300 . 1 . . . . 79 VAL CG1 . 10006 1 946 . 1 1 79 79 VAL CG2 C 13 20.666 0.300 . 1 . . . . 79 VAL CG2 . 10006 1 947 . 1 1 79 79 VAL N N 15 129.244 0.300 . 1 . . . . 79 VAL N . 10006 1 948 . 1 1 80 80 GLU H H 1 8.027 0.030 . 1 . . . . 80 GLU H . 10006 1 949 . 1 1 80 80 GLU HA H 1 4.712 0.030 . 1 . . . . 80 GLU HA . 10006 1 950 . 1 1 80 80 GLU HB2 H 1 2.063 0.030 . 2 . . . . 80 GLU HB2 . 10006 1 951 . 1 1 80 80 GLU HB3 H 1 1.790 0.030 . 2 . . . . 80 GLU HB3 . 10006 1 952 . 1 1 80 80 GLU HG2 H 1 2.155 0.030 . 2 . . . . 80 GLU HG2 . 10006 1 953 . 1 1 80 80 GLU HG3 H 1 1.947 0.030 . 2 . . . . 80 GLU HG3 . 10006 1 954 . 1 1 80 80 GLU C C 13 176.531 0.300 . 1 . . . . 80 GLU C . 10006 1 955 . 1 1 80 80 GLU CA C 13 54.996 0.300 . 1 . . . . 80 GLU CA . 10006 1 956 . 1 1 80 80 GLU CB C 13 33.118 0.300 . 1 . . . . 80 GLU CB . 10006 1 957 . 1 1 80 80 GLU CG C 13 37.056 0.300 . 1 . . . . 80 GLU CG . 10006 1 958 . 1 1 80 80 GLU N N 15 125.898 0.300 . 1 . . . . 80 GLU N . 10006 1 959 . 1 1 81 81 GLY H H 1 9.110 0.030 . 1 . . . . 81 GLY H . 10006 1 960 . 1 1 81 81 GLY HA2 H 1 3.927 0.030 . 1 . . . . 81 GLY HA2 . 10006 1 961 . 1 1 81 81 GLY HA3 H 1 3.927 0.030 . 1 . . . . 81 GLY HA3 . 10006 1 962 . 1 1 81 81 GLY C C 13 175.664 0.300 . 1 . . . . 81 GLY C . 10006 1 963 . 1 1 81 81 GLY CA C 13 46.485 0.300 . 1 . . . . 81 GLY CA . 10006 1 964 . 1 1 81 81 GLY N N 15 108.477 0.300 . 1 . . . . 81 GLY N . 10006 1 965 . 1 1 82 82 LEU H H 1 8.233 0.030 . 1 . . . . 82 LEU H . 10006 1 966 . 1 1 82 82 LEU HA H 1 4.381 0.030 . 1 . . . . 82 LEU HA . 10006 1 967 . 1 1 82 82 LEU HB2 H 1 1.513 0.030 . 2 . . . . 82 LEU HB2 . 10006 1 968 . 1 1 82 82 LEU HB3 H 1 0.978 0.030 . 2 . . . . 82 LEU HB3 . 10006 1 969 . 1 1 82 82 LEU HG H 1 1.032 0.030 . 1 . . . . 82 LEU HG . 10006 1 970 . 1 1 82 82 LEU HD11 H 1 0.104 0.030 . 1 . . . . 82 LEU HD1 . 10006 1 971 . 1 1 82 82 LEU HD12 H 1 0.104 0.030 . 1 . . . . 82 LEU HD1 . 10006 1 972 . 1 1 82 82 LEU HD13 H 1 0.104 0.030 . 1 . . . . 82 LEU HD1 . 10006 1 973 . 1 1 82 82 LEU HD21 H 1 0.202 0.030 . 1 . . . . 82 LEU HD2 . 10006 1 974 . 1 1 82 82 LEU HD22 H 1 0.202 0.030 . 1 . . . . 82 LEU HD2 . 10006 1 975 . 1 1 82 82 LEU HD23 H 1 0.202 0.030 . 1 . . . . 82 LEU HD2 . 10006 1 976 . 1 1 82 82 LEU CA C 13 53.337 0.300 . 1 . . . . 82 LEU CA . 10006 1 977 . 1 1 82 82 LEU CB C 13 41.354 0.300 . 1 . . . . 82 LEU CB . 10006 1 978 . 1 1 82 82 LEU CG C 13 25.907 0.300 . 1 . . . . 82 LEU CG . 10006 1 979 . 1 1 82 82 LEU CD1 C 13 25.267 0.300 . 1 . . . . 82 LEU CD1 . 10006 1 980 . 1 1 82 82 LEU CD2 C 13 19.468 0.300 . 1 . . . . 82 LEU CD2 . 10006 1 981 . 1 1 82 82 LEU N N 15 119.255 0.300 . 1 . . . . 82 LEU N . 10006 1 982 . 1 1 83 83 GLU H H 1 8.232 0.030 . 1 . . . . 83 GLU H . 10006 1 983 . 1 1 83 83 GLU HA H 1 4.836 0.030 . 1 . . . . 83 GLU HA . 10006 1 984 . 1 1 83 83 GLU HB2 H 1 2.098 0.030 . 2 . . . . 83 GLU HB2 . 10006 1 985 . 1 1 83 83 GLU HB3 H 1 1.947 0.030 . 2 . . . . 83 GLU HB3 . 10006 1 986 . 1 1 83 83 GLU HG2 H 1 2.432 0.030 . 2 . . . . 83 GLU HG2 . 10006 1 987 . 1 1 83 83 GLU HG3 H 1 2.337 0.030 . 2 . . . . 83 GLU HG3 . 10006 1 988 . 1 1 83 83 GLU CB C 13 30.857 0.300 . 1 . . . . 83 GLU CB . 10006 1 989 . 1 1 83 83 GLU CG C 13 36.083 0.300 . 1 . . . . 83 GLU CG . 10006 1 990 . 1 1 83 83 GLU N N 15 119.235 0.300 . 1 . . . . 83 GLU N . 10006 1 991 . 1 1 84 84 PRO HA H 1 5.101 0.030 . 1 . . . . 84 PRO HA . 10006 1 992 . 1 1 84 84 PRO HB2 H 1 2.661 0.030 . 2 . . . . 84 PRO HB2 . 10006 1 993 . 1 1 84 84 PRO HB3 H 1 2.041 0.030 . 2 . . . . 84 PRO HB3 . 10006 1 994 . 1 1 84 84 PRO HG2 H 1 2.163 0.030 . 1 . . . . 84 PRO HG2 . 10006 1 995 . 1 1 84 84 PRO HG3 H 1 2.163 0.030 . 1 . . . . 84 PRO HG3 . 10006 1 996 . 1 1 84 84 PRO HD2 H 1 4.137 0.030 . 2 . . . . 84 PRO HD2 . 10006 1 997 . 1 1 84 84 PRO HD3 H 1 3.731 0.030 . 2 . . . . 84 PRO HD3 . 10006 1 998 . 1 1 84 84 PRO C C 13 177.858 0.300 . 1 . . . . 84 PRO C . 10006 1 999 . 1 1 84 84 PRO CA C 13 63.180 0.300 . 1 . . . . 84 PRO CA . 10006 1 1000 . 1 1 84 84 PRO CB C 13 33.748 0.300 . 1 . . . . 84 PRO CB . 10006 1 1001 . 1 1 84 84 PRO CG C 13 27.570 0.300 . 1 . . . . 84 PRO CG . 10006 1 1002 . 1 1 84 84 PRO CD C 13 50.910 0.300 . 1 . . . . 84 PRO CD . 10006 1 1003 . 1 1 85 85 ARG H H 1 7.614 0.030 . 1 . . . . 85 ARG H . 10006 1 1004 . 1 1 85 85 ARG HA H 1 3.828 0.030 . 1 . . . . 85 ARG HA . 10006 1 1005 . 1 1 85 85 ARG HB2 H 1 1.931 0.030 . 2 . . . . 85 ARG HB2 . 10006 1 1006 . 1 1 85 85 ARG HB3 H 1 1.700 0.030 . 2 . . . . 85 ARG HB3 . 10006 1 1007 . 1 1 85 85 ARG HG2 H 1 1.576 0.030 . 2 . . . . 85 ARG HG2 . 10006 1 1008 . 1 1 85 85 ARG HG3 H 1 1.521 0.030 . 2 . . . . 85 ARG HG3 . 10006 1 1009 . 1 1 85 85 ARG HD2 H 1 3.207 0.030 . 1 . . . . 85 ARG HD2 . 10006 1 1010 . 1 1 85 85 ARG HD3 H 1 3.207 0.030 . 1 . . . . 85 ARG HD3 . 10006 1 1011 . 1 1 85 85 ARG C C 13 174.787 0.300 . 1 . . . . 85 ARG C . 10006 1 1012 . 1 1 85 85 ARG CA C 13 56.281 0.300 . 1 . . . . 85 ARG CA . 10006 1 1013 . 1 1 85 85 ARG CB C 13 29.547 0.300 . 1 . . . . 85 ARG CB . 10006 1 1014 . 1 1 85 85 ARG CG C 13 27.985 0.300 . 1 . . . . 85 ARG CG . 10006 1 1015 . 1 1 85 85 ARG CD C 13 43.881 0.300 . 1 . . . . 85 ARG CD . 10006 1 1016 . 1 1 85 85 ARG N N 15 122.570 0.300 . 1 . . . . 85 ARG N . 10006 1 1017 . 1 1 86 86 THR H H 1 8.315 0.030 . 1 . . . . 86 THR H . 10006 1 1018 . 1 1 86 86 THR HA H 1 4.347 0.030 . 1 . . . . 86 THR HA . 10006 1 1019 . 1 1 86 86 THR HB H 1 3.884 0.030 . 1 . . . . 86 THR HB . 10006 1 1020 . 1 1 86 86 THR HG21 H 1 0.600 0.030 . 1 . . . . 86 THR HG2 . 10006 1 1021 . 1 1 86 86 THR HG22 H 1 0.600 0.030 . 1 . . . . 86 THR HG2 . 10006 1 1022 . 1 1 86 86 THR HG23 H 1 0.600 0.030 . 1 . . . . 86 THR HG2 . 10006 1 1023 . 1 1 86 86 THR C C 13 170.685 0.300 . 1 . . . . 86 THR C . 10006 1 1024 . 1 1 86 86 THR CA C 13 62.745 0.300 . 1 . . . . 86 THR CA . 10006 1 1025 . 1 1 86 86 THR CB C 13 71.786 0.300 . 1 . . . . 86 THR CB . 10006 1 1026 . 1 1 86 86 THR CG2 C 13 19.635 0.300 . 1 . . . . 86 THR CG2 . 10006 1 1027 . 1 1 86 86 THR N N 15 116.314 0.300 . 1 . . . . 86 THR N . 10006 1 1028 . 1 1 87 87 LEU H H 1 8.024 0.030 . 1 . . . . 87 LEU H . 10006 1 1029 . 1 1 87 87 LEU HA H 1 4.296 0.030 . 1 . . . . 87 LEU HA . 10006 1 1030 . 1 1 87 87 LEU HB2 H 1 1.625 0.030 . 2 . . . . 87 LEU HB2 . 10006 1 1031 . 1 1 87 87 LEU HB3 H 1 1.305 0.030 . 2 . . . . 87 LEU HB3 . 10006 1 1032 . 1 1 87 87 LEU HG H 1 1.304 0.030 . 1 . . . . 87 LEU HG . 10006 1 1033 . 1 1 87 87 LEU HD11 H 1 0.783 0.030 . 1 . . . . 87 LEU HD1 . 10006 1 1034 . 1 1 87 87 LEU HD12 H 1 0.783 0.030 . 1 . . . . 87 LEU HD1 . 10006 1 1035 . 1 1 87 87 LEU HD13 H 1 0.783 0.030 . 1 . . . . 87 LEU HD1 . 10006 1 1036 . 1 1 87 87 LEU HD21 H 1 0.783 0.030 . 1 . . . . 87 LEU HD2 . 10006 1 1037 . 1 1 87 87 LEU HD22 H 1 0.783 0.030 . 1 . . . . 87 LEU HD2 . 10006 1 1038 . 1 1 87 87 LEU HD23 H 1 0.783 0.030 . 1 . . . . 87 LEU HD2 . 10006 1 1039 . 1 1 87 87 LEU C C 13 174.968 0.300 . 1 . . . . 87 LEU C . 10006 1 1040 . 1 1 87 87 LEU CA C 13 54.924 0.300 . 1 . . . . 87 LEU CA . 10006 1 1041 . 1 1 87 87 LEU CB C 13 43.117 0.300 . 1 . . . . 87 LEU CB . 10006 1 1042 . 1 1 87 87 LEU CG C 13 26.991 0.300 . 1 . . . . 87 LEU CG . 10006 1 1043 . 1 1 87 87 LEU CD1 C 13 25.497 0.300 . 2 . . . . 87 LEU CD1 . 10006 1 1044 . 1 1 87 87 LEU CD2 C 13 23.993 0.300 . 2 . . . . 87 LEU CD2 . 10006 1 1045 . 1 1 87 87 LEU N N 15 126.518 0.300 . 1 . . . . 87 LEU N . 10006 1 1046 . 1 1 88 88 TYR H H 1 9.101 0.030 . 1 . . . . 88 TYR H . 10006 1 1047 . 1 1 88 88 TYR HA H 1 4.381 0.030 . 1 . . . . 88 TYR HA . 10006 1 1048 . 1 1 88 88 TYR HB2 H 1 2.601 0.030 . 2 . . . . 88 TYR HB2 . 10006 1 1049 . 1 1 88 88 TYR HB3 H 1 2.342 0.030 . 2 . . . . 88 TYR HB3 . 10006 1 1050 . 1 1 88 88 TYR HD1 H 1 7.148 0.030 . 1 . . . . 88 TYR HD1 . 10006 1 1051 . 1 1 88 88 TYR HD2 H 1 7.148 0.030 . 1 . . . . 88 TYR HD2 . 10006 1 1052 . 1 1 88 88 TYR HE1 H 1 6.845 0.030 . 1 . . . . 88 TYR HE1 . 10006 1 1053 . 1 1 88 88 TYR HE2 H 1 6.845 0.030 . 1 . . . . 88 TYR HE2 . 10006 1 1054 . 1 1 88 88 TYR C C 13 173.658 0.300 . 1 . . . . 88 TYR C . 10006 1 1055 . 1 1 88 88 TYR CA C 13 58.152 0.300 . 1 . . . . 88 TYR CA . 10006 1 1056 . 1 1 88 88 TYR CB C 13 43.823 0.300 . 1 . . . . 88 TYR CB . 10006 1 1057 . 1 1 88 88 TYR CD1 C 13 134.045 0.300 . 1 . . . . 88 TYR CD1 . 10006 1 1058 . 1 1 88 88 TYR CD2 C 13 134.045 0.300 . 1 . . . . 88 TYR CD2 . 10006 1 1059 . 1 1 88 88 TYR CE1 C 13 118.960 0.300 . 1 . . . . 88 TYR CE1 . 10006 1 1060 . 1 1 88 88 TYR CE2 C 13 118.960 0.300 . 1 . . . . 88 TYR CE2 . 10006 1 1061 . 1 1 88 88 TYR N N 15 127.993 0.300 . 1 . . . . 88 TYR N . 10006 1 1062 . 1 1 89 89 LYS H H 1 8.011 0.030 . 1 . . . . 89 LYS H . 10006 1 1063 . 1 1 89 89 LYS HA H 1 5.254 0.030 . 1 . . . . 89 LYS HA . 10006 1 1064 . 1 1 89 89 LYS HB2 H 1 1.528 0.030 . 2 . . . . 89 LYS HB2 . 10006 1 1065 . 1 1 89 89 LYS HB3 H 1 1.466 0.030 . 2 . . . . 89 LYS HB3 . 10006 1 1066 . 1 1 89 89 LYS HG2 H 1 1.247 0.030 . 2 . . . . 89 LYS HG2 . 10006 1 1067 . 1 1 89 89 LYS HG3 H 1 1.204 0.030 . 2 . . . . 89 LYS HG3 . 10006 1 1068 . 1 1 89 89 LYS HD2 H 1 1.508 0.030 . 2 . . . . 89 LYS HD2 . 10006 1 1069 . 1 1 89 89 LYS HD3 H 1 1.451 0.030 . 2 . . . . 89 LYS HD3 . 10006 1 1070 . 1 1 89 89 LYS HE2 H 1 2.738 0.030 . 1 . . . . 89 LYS HE2 . 10006 1 1071 . 1 1 89 89 LYS HE3 H 1 2.738 0.030 . 1 . . . . 89 LYS HE3 . 10006 1 1072 . 1 1 89 89 LYS C C 13 175.281 0.300 . 1 . . . . 89 LYS C . 10006 1 1073 . 1 1 89 89 LYS CA C 13 55.026 0.300 . 1 . . . . 89 LYS CA . 10006 1 1074 . 1 1 89 89 LYS CB C 13 36.054 0.300 . 1 . . . . 89 LYS CB . 10006 1 1075 . 1 1 89 89 LYS CG C 13 25.325 0.300 . 1 . . . . 89 LYS CG . 10006 1 1076 . 1 1 89 89 LYS CD C 13 29.416 0.300 . 1 . . . . 89 LYS CD . 10006 1 1077 . 1 1 89 89 LYS CE C 13 42.449 0.300 . 1 . . . . 89 LYS CE . 10006 1 1078 . 1 1 89 89 LYS N N 15 118.883 0.300 . 1 . . . . 89 LYS N . 10006 1 1079 . 1 1 90 90 PHE H H 1 8.755 0.030 . 1 . . . . 90 PHE H . 10006 1 1080 . 1 1 90 90 PHE HA H 1 6.219 0.030 . 1 . . . . 90 PHE HA . 10006 1 1081 . 1 1 90 90 PHE HB2 H 1 3.062 0.030 . 2 . . . . 90 PHE HB2 . 10006 1 1082 . 1 1 90 90 PHE HB3 H 1 2.453 0.030 . 2 . . . . 90 PHE HB3 . 10006 1 1083 . 1 1 90 90 PHE HD1 H 1 7.019 0.030 . 1 . . . . 90 PHE HD1 . 10006 1 1084 . 1 1 90 90 PHE HD2 H 1 7.019 0.030 . 1 . . . . 90 PHE HD2 . 10006 1 1085 . 1 1 90 90 PHE HE1 H 1 7.233 0.030 . 1 . . . . 90 PHE HE1 . 10006 1 1086 . 1 1 90 90 PHE HE2 H 1 7.233 0.030 . 1 . . . . 90 PHE HE2 . 10006 1 1087 . 1 1 90 90 PHE HZ H 1 6.764 0.030 . 1 . . . . 90 PHE HZ . 10006 1 1088 . 1 1 90 90 PHE C C 13 174.898 0.300 . 1 . . . . 90 PHE C . 10006 1 1089 . 1 1 90 90 PHE CA C 13 55.107 0.300 . 1 . . . . 90 PHE CA . 10006 1 1090 . 1 1 90 90 PHE CB C 13 44.613 0.300 . 1 . . . . 90 PHE CB . 10006 1 1091 . 1 1 90 90 PHE CD1 C 13 131.680 0.300 . 1 . . . . 90 PHE CD1 . 10006 1 1092 . 1 1 90 90 PHE CD2 C 13 131.680 0.300 . 1 . . . . 90 PHE CD2 . 10006 1 1093 . 1 1 90 90 PHE CE1 C 13 131.467 0.300 . 1 . . . . 90 PHE CE1 . 10006 1 1094 . 1 1 90 90 PHE CE2 C 13 131.467 0.300 . 1 . . . . 90 PHE CE2 . 10006 1 1095 . 1 1 90 90 PHE CZ C 13 129.022 0.300 . 1 . . . . 90 PHE CZ . 10006 1 1096 . 1 1 90 90 PHE N N 15 117.508 0.300 . 1 . . . . 90 PHE N . 10006 1 1097 . 1 1 91 91 ARG H H 1 9.122 0.030 . 1 . . . . 91 ARG H . 10006 1 1098 . 1 1 91 91 ARG HA H 1 4.652 0.030 . 1 . . . . 91 ARG HA . 10006 1 1099 . 1 1 91 91 ARG HB2 H 1 1.812 0.030 . 2 . . . . 91 ARG HB2 . 10006 1 1100 . 1 1 91 91 ARG HB3 H 1 1.540 0.030 . 2 . . . . 91 ARG HB3 . 10006 1 1101 . 1 1 91 91 ARG HG2 H 1 1.365 0.030 . 2 . . . . 91 ARG HG2 . 10006 1 1102 . 1 1 91 91 ARG HG3 H 1 1.043 0.030 . 2 . . . . 91 ARG HG3 . 10006 1 1103 . 1 1 91 91 ARG HD2 H 1 2.328 0.030 . 2 . . . . 91 ARG HD2 . 10006 1 1104 . 1 1 91 91 ARG HD3 H 1 1.972 0.030 . 2 . . . . 91 ARG HD3 . 10006 1 1105 . 1 1 91 91 ARG HE H 1 5.974 0.030 . 1 . . . . 91 ARG HE . 10006 1 1106 . 1 1 91 91 ARG C C 13 171.965 0.300 . 1 . . . . 91 ARG C . 10006 1 1107 . 1 1 91 91 ARG CA C 13 54.738 0.300 . 1 . . . . 91 ARG CA . 10006 1 1108 . 1 1 91 91 ARG CB C 13 33.962 0.300 . 1 . . . . 91 ARG CB . 10006 1 1109 . 1 1 91 91 ARG CG C 13 25.243 0.300 . 1 . . . . 91 ARG CG . 10006 1 1110 . 1 1 91 91 ARG CD C 13 43.477 0.300 . 1 . . . . 91 ARG CD . 10006 1 1111 . 1 1 91 91 ARG N N 15 114.154 0.300 . 1 . . . . 91 ARG N . 10006 1 1112 . 1 1 91 91 ARG NE N 15 83.326 0.300 . 1 . . . . 91 ARG NE . 10006 1 1113 . 1 1 92 92 LEU H H 1 8.421 0.030 . 1 . . . . 92 LEU H . 10006 1 1114 . 1 1 92 92 LEU HA H 1 4.993 0.030 . 1 . . . . 92 LEU HA . 10006 1 1115 . 1 1 92 92 LEU HB2 H 1 1.562 0.030 . 2 . . . . 92 LEU HB2 . 10006 1 1116 . 1 1 92 92 LEU HB3 H 1 0.768 0.030 . 2 . . . . 92 LEU HB3 . 10006 1 1117 . 1 1 92 92 LEU HG H 1 1.160 0.030 . 1 . . . . 92 LEU HG . 10006 1 1118 . 1 1 92 92 LEU HD11 H 1 0.515 0.030 . 1 . . . . 92 LEU HD1 . 10006 1 1119 . 1 1 92 92 LEU HD12 H 1 0.515 0.030 . 1 . . . . 92 LEU HD1 . 10006 1 1120 . 1 1 92 92 LEU HD13 H 1 0.515 0.030 . 1 . . . . 92 LEU HD1 . 10006 1 1121 . 1 1 92 92 LEU HD21 H 1 -0.116 0.030 . 1 . . . . 92 LEU HD2 . 10006 1 1122 . 1 1 92 92 LEU HD22 H 1 -0.116 0.030 . 1 . . . . 92 LEU HD2 . 10006 1 1123 . 1 1 92 92 LEU HD23 H 1 -0.116 0.030 . 1 . . . . 92 LEU HD2 . 10006 1 1124 . 1 1 92 92 LEU C C 13 173.427 0.300 . 1 . . . . 92 LEU C . 10006 1 1125 . 1 1 92 92 LEU CA C 13 53.066 0.300 . 1 . . . . 92 LEU CA . 10006 1 1126 . 1 1 92 92 LEU CB C 13 46.189 0.300 . 1 . . . . 92 LEU CB . 10006 1 1127 . 1 1 92 92 LEU CG C 13 27.176 0.300 . 1 . . . . 92 LEU CG . 10006 1 1128 . 1 1 92 92 LEU CD1 C 13 26.932 0.300 . 2 . . . . 92 LEU CD1 . 10006 1 1129 . 1 1 92 92 LEU CD2 C 13 22.352 0.300 . 2 . . . . 92 LEU CD2 . 10006 1 1130 . 1 1 92 92 LEU N N 15 123.524 0.300 . 1 . . . . 92 LEU N . 10006 1 1131 . 1 1 93 93 LYS H H 1 9.424 0.030 . 1 . . . . 93 LYS H . 10006 1 1132 . 1 1 93 93 LYS HA H 1 4.923 0.030 . 1 . . . . 93 LYS HA . 10006 1 1133 . 1 1 93 93 LYS HB2 H 1 1.672 0.030 . 2 . . . . 93 LYS HB2 . 10006 1 1134 . 1 1 93 93 LYS HB3 H 1 1.317 0.030 . 2 . . . . 93 LYS HB3 . 10006 1 1135 . 1 1 93 93 LYS HG2 H 1 0.864 0.030 . 2 . . . . 93 LYS HG2 . 10006 1 1136 . 1 1 93 93 LYS HG3 H 1 0.210 0.030 . 2 . . . . 93 LYS HG3 . 10006 1 1137 . 1 1 93 93 LYS HD2 H 1 1.153 0.030 . 2 . . . . 93 LYS HD2 . 10006 1 1138 . 1 1 93 93 LYS HD3 H 1 1.085 0.030 . 2 . . . . 93 LYS HD3 . 10006 1 1139 . 1 1 93 93 LYS HE2 H 1 2.088 0.030 . 2 . . . . 93 LYS HE2 . 10006 1 1140 . 1 1 93 93 LYS HE3 H 1 1.913 0.030 . 2 . . . . 93 LYS HE3 . 10006 1 1141 . 1 1 93 93 LYS C C 13 175.301 0.300 . 1 . . . . 93 LYS C . 10006 1 1142 . 1 1 93 93 LYS CA C 13 54.097 0.300 . 1 . . . . 93 LYS CA . 10006 1 1143 . 1 1 93 93 LYS CB C 13 37.766 0.300 . 1 . . . . 93 LYS CB . 10006 1 1144 . 1 1 93 93 LYS CG C 13 24.479 0.300 . 1 . . . . 93 LYS CG . 10006 1 1145 . 1 1 93 93 LYS CD C 13 30.047 0.300 . 1 . . . . 93 LYS CD . 10006 1 1146 . 1 1 93 93 LYS CE C 13 41.517 0.300 . 1 . . . . 93 LYS CE . 10006 1 1147 . 1 1 93 93 LYS N N 15 128.164 0.300 . 1 . . . . 93 LYS N . 10006 1 1148 . 1 1 94 94 VAL H H 1 8.765 0.030 . 1 . . . . 94 VAL H . 10006 1 1149 . 1 1 94 94 VAL HA H 1 4.867 0.030 . 1 . . . . 94 VAL HA . 10006 1 1150 . 1 1 94 94 VAL HB H 1 1.891 0.030 . 1 . . . . 94 VAL HB . 10006 1 1151 . 1 1 94 94 VAL HG11 H 1 0.988 0.030 . 1 . . . . 94 VAL HG1 . 10006 1 1152 . 1 1 94 94 VAL HG12 H 1 0.988 0.030 . 1 . . . . 94 VAL HG1 . 10006 1 1153 . 1 1 94 94 VAL HG13 H 1 0.988 0.030 . 1 . . . . 94 VAL HG1 . 10006 1 1154 . 1 1 94 94 VAL HG21 H 1 0.971 0.030 . 1 . . . . 94 VAL HG2 . 10006 1 1155 . 1 1 94 94 VAL HG22 H 1 0.971 0.030 . 1 . . . . 94 VAL HG2 . 10006 1 1156 . 1 1 94 94 VAL HG23 H 1 0.971 0.030 . 1 . . . . 94 VAL HG2 . 10006 1 1157 . 1 1 94 94 VAL C C 13 174.445 0.300 . 1 . . . . 94 VAL C . 10006 1 1158 . 1 1 94 94 VAL CA C 13 60.242 0.300 . 1 . . . . 94 VAL CA . 10006 1 1159 . 1 1 94 94 VAL CB C 13 34.317 0.300 . 1 . . . . 94 VAL CB . 10006 1 1160 . 1 1 94 94 VAL CG1 C 13 21.056 0.300 . 1 . . . . 94 VAL CG1 . 10006 1 1161 . 1 1 94 94 VAL CG2 C 13 22.139 0.300 . 1 . . . . 94 VAL CG2 . 10006 1 1162 . 1 1 94 94 VAL N N 15 125.487 0.300 . 1 . . . . 94 VAL N . 10006 1 1163 . 1 1 95 95 THR H H 1 8.767 0.030 . 1 . . . . 95 THR H . 10006 1 1164 . 1 1 95 95 THR HA H 1 5.144 0.030 . 1 . . . . 95 THR HA . 10006 1 1165 . 1 1 95 95 THR HB H 1 3.668 0.030 . 1 . . . . 95 THR HB . 10006 1 1166 . 1 1 95 95 THR HG21 H 1 1.256 0.030 . 1 . . . . 95 THR HG2 . 10006 1 1167 . 1 1 95 95 THR HG22 H 1 1.256 0.030 . 1 . . . . 95 THR HG2 . 10006 1 1168 . 1 1 95 95 THR HG23 H 1 1.256 0.030 . 1 . . . . 95 THR HG2 . 10006 1 1169 . 1 1 95 95 THR C C 13 174.929 0.300 . 1 . . . . 95 THR C . 10006 1 1170 . 1 1 95 95 THR CA C 13 61.243 0.300 . 1 . . . . 95 THR CA . 10006 1 1171 . 1 1 95 95 THR CB C 13 70.803 0.300 . 1 . . . . 95 THR CB . 10006 1 1172 . 1 1 95 95 THR CG2 C 13 21.243 0.300 . 1 . . . . 95 THR CG2 . 10006 1 1173 . 1 1 95 95 THR N N 15 120.602 0.300 . 1 . . . . 95 THR N . 10006 1 1174 . 1 1 96 96 SER H H 1 9.513 0.030 . 1 . . . . 96 SER H . 10006 1 1175 . 1 1 96 96 SER HA H 1 4.827 0.030 . 1 . . . . 96 SER HA . 10006 1 1176 . 1 1 96 96 SER HB2 H 1 4.240 0.030 . 2 . . . . 96 SER HB2 . 10006 1 1177 . 1 1 96 96 SER HB3 H 1 3.856 0.030 . 2 . . . . 96 SER HB3 . 10006 1 1178 . 1 1 96 96 SER C C 13 174.876 0.300 . 1 . . . . 96 SER C . 10006 1 1179 . 1 1 96 96 SER CA C 13 56.277 0.300 . 1 . . . . 96 SER CA . 10006 1 1180 . 1 1 96 96 SER CB C 13 63.643 0.300 . 1 . . . . 96 SER CB . 10006 1 1181 . 1 1 96 96 SER N N 15 125.302 0.300 . 1 . . . . 96 SER N . 10006 1 1182 . 1 1 97 97 PRO HA H 1 4.387 0.030 . 1 . . . . 97 PRO HA . 10006 1 1183 . 1 1 97 97 PRO HB2 H 1 2.501 0.030 . 2 . . . . 97 PRO HB2 . 10006 1 1184 . 1 1 97 97 PRO HB3 H 1 1.977 0.030 . 2 . . . . 97 PRO HB3 . 10006 1 1185 . 1 1 97 97 PRO HG2 H 1 2.036 0.030 . 2 . . . . 97 PRO HG2 . 10006 1 1186 . 1 1 97 97 PRO HG3 H 1 1.975 0.030 . 2 . . . . 97 PRO HG3 . 10006 1 1187 . 1 1 97 97 PRO HD2 H 1 3.902 0.030 . 2 . . . . 97 PRO HD2 . 10006 1 1188 . 1 1 97 97 PRO HD3 H 1 3.609 0.030 . 2 . . . . 97 PRO HD3 . 10006 1 1189 . 1 1 97 97 PRO CA C 13 65.365 0.300 . 1 . . . . 97 PRO CA . 10006 1 1190 . 1 1 97 97 PRO CB C 13 31.847 0.300 . 1 . . . . 97 PRO CB . 10006 1 1191 . 1 1 97 97 PRO CG C 13 28.140 0.300 . 1 . . . . 97 PRO CG . 10006 1 1192 . 1 1 97 97 PRO CD C 13 51.184 0.300 . 1 . . . . 97 PRO CD . 10006 1 1193 . 1 1 98 98 SER HA H 1 4.391 0.030 . 1 . . . . 98 SER HA . 10006 1 1194 . 1 1 98 98 SER HB2 H 1 4.164 0.030 . 2 . . . . 98 SER HB2 . 10006 1 1195 . 1 1 98 98 SER HB3 H 1 3.807 0.030 . 2 . . . . 98 SER HB3 . 10006 1 1196 . 1 1 98 98 SER C C 13 175.564 0.300 . 1 . . . . 98 SER C . 10006 1 1197 . 1 1 98 98 SER CA C 13 58.608 0.300 . 1 . . . . 98 SER CA . 10006 1 1198 . 1 1 98 98 SER CB C 13 63.360 0.300 . 1 . . . . 98 SER CB . 10006 1 1199 . 1 1 99 99 GLY H H 1 8.267 0.030 . 1 . . . . 99 GLY H . 10006 1 1200 . 1 1 99 99 GLY HA2 H 1 4.432 0.030 . 2 . . . . 99 GLY HA2 . 10006 1 1201 . 1 1 99 99 GLY HA3 H 1 3.464 0.030 . 2 . . . . 99 GLY HA3 . 10006 1 1202 . 1 1 99 99 GLY C C 13 174.969 0.300 . 1 . . . . 99 GLY C . 10006 1 1203 . 1 1 99 99 GLY CA C 13 45.139 0.300 . 1 . . . . 99 GLY CA . 10006 1 1204 . 1 1 99 99 GLY N N 15 110.899 0.300 . 1 . . . . 99 GLY N . 10006 1 1205 . 1 1 100 100 GLU H H 1 7.793 0.030 . 1 . . . . 100 GLU H . 10006 1 1206 . 1 1 100 100 GLU HA H 1 4.176 0.030 . 1 . . . . 100 GLU HA . 10006 1 1207 . 1 1 100 100 GLU HB2 H 1 1.951 0.030 . 2 . . . . 100 GLU HB2 . 10006 1 1208 . 1 1 100 100 GLU HB3 H 1 1.811 0.030 . 2 . . . . 100 GLU HB3 . 10006 1 1209 . 1 1 100 100 GLU HG2 H 1 2.193 0.030 . 1 . . . . 100 GLU HG2 . 10006 1 1210 . 1 1 100 100 GLU HG3 H 1 2.193 0.030 . 1 . . . . 100 GLU HG3 . 10006 1 1211 . 1 1 100 100 GLU C C 13 174.404 0.300 . 1 . . . . 100 GLU C . 10006 1 1212 . 1 1 100 100 GLU CA C 13 57.247 0.300 . 1 . . . . 100 GLU CA . 10006 1 1213 . 1 1 100 100 GLU CB C 13 29.986 0.300 . 1 . . . . 100 GLU CB . 10006 1 1214 . 1 1 100 100 GLU CG C 13 36.795 0.300 . 1 . . . . 100 GLU CG . 10006 1 1215 . 1 1 100 100 GLU N N 15 122.054 0.300 . 1 . . . . 100 GLU N . 10006 1 1216 . 1 1 101 101 TYR H H 1 7.845 0.030 . 1 . . . . 101 TYR H . 10006 1 1217 . 1 1 101 101 TYR HA H 1 5.837 0.030 . 1 . . . . 101 TYR HA . 10006 1 1218 . 1 1 101 101 TYR HB2 H 1 2.785 0.030 . 2 . . . . 101 TYR HB2 . 10006 1 1219 . 1 1 101 101 TYR HB3 H 1 2.442 0.030 . 2 . . . . 101 TYR HB3 . 10006 1 1220 . 1 1 101 101 TYR HD1 H 1 6.600 0.030 . 1 . . . . 101 TYR HD1 . 10006 1 1221 . 1 1 101 101 TYR HD2 H 1 6.600 0.030 . 1 . . . . 101 TYR HD2 . 10006 1 1222 . 1 1 101 101 TYR HE1 H 1 6.815 0.030 . 1 . . . . 101 TYR HE1 . 10006 1 1223 . 1 1 101 101 TYR HE2 H 1 6.815 0.030 . 1 . . . . 101 TYR HE2 . 10006 1 1224 . 1 1 101 101 TYR C C 13 174.344 0.300 . 1 . . . . 101 TYR C . 10006 1 1225 . 1 1 101 101 TYR CA C 13 55.454 0.300 . 1 . . . . 101 TYR CA . 10006 1 1226 . 1 1 101 101 TYR CB C 13 42.685 0.300 . 1 . . . . 101 TYR CB . 10006 1 1227 . 1 1 101 101 TYR CD1 C 13 133.598 0.300 . 1 . . . . 101 TYR CD1 . 10006 1 1228 . 1 1 101 101 TYR CD2 C 13 133.598 0.300 . 1 . . . . 101 TYR CD2 . 10006 1 1229 . 1 1 101 101 TYR CE1 C 13 118.309 0.300 . 1 . . . . 101 TYR CE1 . 10006 1 1230 . 1 1 101 101 TYR CE2 C 13 118.309 0.300 . 1 . . . . 101 TYR CE2 . 10006 1 1231 . 1 1 101 101 TYR N N 15 115.789 0.300 . 1 . . . . 101 TYR N . 10006 1 1232 . 1 1 102 102 GLU H H 1 8.346 0.030 . 1 . . . . 102 GLU H . 10006 1 1233 . 1 1 102 102 GLU HA H 1 4.522 0.030 . 1 . . . . 102 GLU HA . 10006 1 1234 . 1 1 102 102 GLU HB2 H 1 1.969 0.030 . 2 . . . . 102 GLU HB2 . 10006 1 1235 . 1 1 102 102 GLU HB3 H 1 1.485 0.030 . 2 . . . . 102 GLU HB3 . 10006 1 1236 . 1 1 102 102 GLU HG2 H 1 2.156 0.030 . 2 . . . . 102 GLU HG2 . 10006 1 1237 . 1 1 102 102 GLU HG3 H 1 2.041 0.030 . 2 . . . . 102 GLU HG3 . 10006 1 1238 . 1 1 102 102 GLU C C 13 174.455 0.300 . 1 . . . . 102 GLU C . 10006 1 1239 . 1 1 102 102 GLU CA C 13 54.378 0.300 . 1 . . . . 102 GLU CA . 10006 1 1240 . 1 1 102 102 GLU CB C 13 36.296 0.300 . 1 . . . . 102 GLU CB . 10006 1 1241 . 1 1 102 102 GLU CG C 13 35.767 0.300 . 1 . . . . 102 GLU CG . 10006 1 1242 . 1 1 102 102 GLU N N 15 117.536 0.300 . 1 . . . . 102 GLU N . 10006 1 1243 . 1 1 103 103 TYR H H 1 8.994 0.030 . 1 . . . . 103 TYR H . 10006 1 1244 . 1 1 103 103 TYR HA H 1 5.567 0.030 . 1 . . . . 103 TYR HA . 10006 1 1245 . 1 1 103 103 TYR HB2 H 1 3.048 0.030 . 2 . . . . 103 TYR HB2 . 10006 1 1246 . 1 1 103 103 TYR HB3 H 1 2.597 0.030 . 2 . . . . 103 TYR HB3 . 10006 1 1247 . 1 1 103 103 TYR HD1 H 1 6.898 0.030 . 1 . . . . 103 TYR HD1 . 10006 1 1248 . 1 1 103 103 TYR HD2 H 1 6.898 0.030 . 1 . . . . 103 TYR HD2 . 10006 1 1249 . 1 1 103 103 TYR HE1 H 1 6.625 0.030 . 1 . . . . 103 TYR HE1 . 10006 1 1250 . 1 1 103 103 TYR HE2 H 1 6.625 0.030 . 1 . . . . 103 TYR HE2 . 10006 1 1251 . 1 1 103 103 TYR C C 13 177.106 0.300 . 1 . . . . 103 TYR C . 10006 1 1252 . 1 1 103 103 TYR CA C 13 57.062 0.300 . 1 . . . . 103 TYR CA . 10006 1 1253 . 1 1 103 103 TYR CB C 13 42.454 0.300 . 1 . . . . 103 TYR CB . 10006 1 1254 . 1 1 103 103 TYR CD1 C 13 132.065 0.300 . 1 . . . . 103 TYR CD1 . 10006 1 1255 . 1 1 103 103 TYR CD2 C 13 132.065 0.300 . 1 . . . . 103 TYR CD2 . 10006 1 1256 . 1 1 103 103 TYR CE1 C 13 117.990 0.300 . 1 . . . . 103 TYR CE1 . 10006 1 1257 . 1 1 103 103 TYR CE2 C 13 117.990 0.300 . 1 . . . . 103 TYR CE2 . 10006 1 1258 . 1 1 103 103 TYR N N 15 118.144 0.300 . 1 . . . . 103 TYR N . 10006 1 1259 . 1 1 104 104 SER H H 1 9.534 0.030 . 1 . . . . 104 SER H . 10006 1 1260 . 1 1 104 104 SER HA H 1 4.873 0.030 . 1 . . . . 104 SER HA . 10006 1 1261 . 1 1 104 104 SER HB2 H 1 4.077 0.030 . 2 . . . . 104 SER HB2 . 10006 1 1262 . 1 1 104 104 SER HB3 H 1 3.568 0.030 . 2 . . . . 104 SER HB3 . 10006 1 1263 . 1 1 104 104 SER HG H 1 5.867 0.030 . 1 . . . . 104 SER HG . 10006 1 1264 . 1 1 104 104 SER C C 13 172.230 0.300 . 1 . . . . 104 SER C . 10006 1 1265 . 1 1 104 104 SER CA C 13 56.963 0.300 . 1 . . . . 104 SER CA . 10006 1 1266 . 1 1 104 104 SER CB C 13 63.823 0.300 . 1 . . . . 104 SER CB . 10006 1 1267 . 1 1 104 104 SER N N 15 117.852 0.300 . 1 . . . . 104 SER N . 10006 1 1268 . 1 1 105 105 PRO HA H 1 4.628 0.030 . 1 . . . . 105 PRO HA . 10006 1 1269 . 1 1 105 105 PRO HB2 H 1 2.551 0.030 . 2 . . . . 105 PRO HB2 . 10006 1 1270 . 1 1 105 105 PRO HB3 H 1 1.776 0.030 . 2 . . . . 105 PRO HB3 . 10006 1 1271 . 1 1 105 105 PRO HG2 H 1 2.086 0.030 . 1 . . . . 105 PRO HG2 . 10006 1 1272 . 1 1 105 105 PRO HG3 H 1 2.086 0.030 . 1 . . . . 105 PRO HG3 . 10006 1 1273 . 1 1 105 105 PRO HD2 H 1 3.981 0.030 . 2 . . . . 105 PRO HD2 . 10006 1 1274 . 1 1 105 105 PRO HD3 H 1 3.439 0.030 . 2 . . . . 105 PRO HD3 . 10006 1 1275 . 1 1 105 105 PRO C C 13 176.006 0.300 . 1 . . . . 105 PRO C . 10006 1 1276 . 1 1 105 105 PRO CA C 13 62.570 0.300 . 1 . . . . 105 PRO CA . 10006 1 1277 . 1 1 105 105 PRO CB C 13 32.486 0.300 . 1 . . . . 105 PRO CB . 10006 1 1278 . 1 1 105 105 PRO CG C 13 28.151 0.300 . 1 . . . . 105 PRO CG . 10006 1 1279 . 1 1 105 105 PRO CD C 13 50.986 0.300 . 1 . . . . 105 PRO CD . 10006 1 1280 . 1 1 106 106 VAL H H 1 8.255 0.030 . 1 . . . . 106 VAL H . 10006 1 1281 . 1 1 106 106 VAL HA H 1 4.406 0.030 . 1 . . . . 106 VAL HA . 10006 1 1282 . 1 1 106 106 VAL HB H 1 1.909 0.030 . 1 . . . . 106 VAL HB . 10006 1 1283 . 1 1 106 106 VAL HG11 H 1 0.918 0.030 . 1 . . . . 106 VAL HG1 . 10006 1 1284 . 1 1 106 106 VAL HG12 H 1 0.918 0.030 . 1 . . . . 106 VAL HG1 . 10006 1 1285 . 1 1 106 106 VAL HG13 H 1 0.918 0.030 . 1 . . . . 106 VAL HG1 . 10006 1 1286 . 1 1 106 106 VAL HG21 H 1 0.954 0.030 . 1 . . . . 106 VAL HG2 . 10006 1 1287 . 1 1 106 106 VAL HG22 H 1 0.954 0.030 . 1 . . . . 106 VAL HG2 . 10006 1 1288 . 1 1 106 106 VAL HG23 H 1 0.954 0.030 . 1 . . . . 106 VAL HG2 . 10006 1 1289 . 1 1 106 106 VAL C C 13 177.055 0.300 . 1 . . . . 106 VAL C . 10006 1 1290 . 1 1 106 106 VAL CA C 13 62.138 0.300 . 1 . . . . 106 VAL CA . 10006 1 1291 . 1 1 106 106 VAL CB C 13 33.378 0.300 . 1 . . . . 106 VAL CB . 10006 1 1292 . 1 1 106 106 VAL CG1 C 13 21.934 0.300 . 2 . . . . 106 VAL CG1 . 10006 1 1293 . 1 1 106 106 VAL CG2 C 13 22.502 0.300 . 2 . . . . 106 VAL CG2 . 10006 1 1294 . 1 1 106 106 VAL N N 15 121.348 0.300 . 1 . . . . 106 VAL N . 10006 1 1295 . 1 1 107 107 VAL H H 1 9.450 0.030 . 1 . . . . 107 VAL H . 10006 1 1296 . 1 1 107 107 VAL HA H 1 4.597 0.030 . 1 . . . . 107 VAL HA . 10006 1 1297 . 1 1 107 107 VAL HB H 1 1.997 0.030 . 1 . . . . 107 VAL HB . 10006 1 1298 . 1 1 107 107 VAL HG11 H 1 1.082 0.030 . 1 . . . . 107 VAL HG1 . 10006 1 1299 . 1 1 107 107 VAL HG12 H 1 1.082 0.030 . 1 . . . . 107 VAL HG1 . 10006 1 1300 . 1 1 107 107 VAL HG13 H 1 1.082 0.030 . 1 . . . . 107 VAL HG1 . 10006 1 1301 . 1 1 107 107 VAL HG21 H 1 1.018 0.030 . 1 . . . . 107 VAL HG2 . 10006 1 1302 . 1 1 107 107 VAL HG22 H 1 1.018 0.030 . 1 . . . . 107 VAL HG2 . 10006 1 1303 . 1 1 107 107 VAL HG23 H 1 1.018 0.030 . 1 . . . . 107 VAL HG2 . 10006 1 1304 . 1 1 107 107 VAL C C 13 173.457 0.300 . 1 . . . . 107 VAL C . 10006 1 1305 . 1 1 107 107 VAL CA C 13 60.309 0.300 . 1 . . . . 107 VAL CA . 10006 1 1306 . 1 1 107 107 VAL CB C 13 34.957 0.300 . 1 . . . . 107 VAL CB . 10006 1 1307 . 1 1 107 107 VAL CG1 C 13 21.816 0.300 . 1 . . . . 107 VAL CG1 . 10006 1 1308 . 1 1 107 107 VAL CG2 C 13 20.430 0.300 . 1 . . . . 107 VAL CG2 . 10006 1 1309 . 1 1 107 107 VAL N N 15 126.446 0.300 . 1 . . . . 107 VAL N . 10006 1 1310 . 1 1 108 108 SER H H 1 8.418 0.030 . 1 . . . . 108 SER H . 10006 1 1311 . 1 1 108 108 SER HA H 1 5.606 0.030 . 1 . . . . 108 SER HA . 10006 1 1312 . 1 1 108 108 SER HB2 H 1 3.743 0.030 . 2 . . . . 108 SER HB2 . 10006 1 1313 . 1 1 108 108 SER HB3 H 1 3.662 0.030 . 2 . . . . 108 SER HB3 . 10006 1 1314 . 1 1 108 108 SER C C 13 173.809 0.300 . 1 . . . . 108 SER C . 10006 1 1315 . 1 1 108 108 SER CA C 13 56.755 0.300 . 1 . . . . 108 SER CA . 10006 1 1316 . 1 1 108 108 SER CB C 13 64.707 0.300 . 1 . . . . 108 SER CB . 10006 1 1317 . 1 1 108 108 SER N N 15 121.805 0.300 . 1 . . . . 108 SER N . 10006 1 1318 . 1 1 109 109 VAL H H 1 9.446 0.030 . 1 . . . . 109 VAL H . 10006 1 1319 . 1 1 109 109 VAL HA H 1 4.445 0.030 . 1 . . . . 109 VAL HA . 10006 1 1320 . 1 1 109 109 VAL HB H 1 2.298 0.030 . 1 . . . . 109 VAL HB . 10006 1 1321 . 1 1 109 109 VAL HG11 H 1 1.093 0.030 . 1 . . . . 109 VAL HG1 . 10006 1 1322 . 1 1 109 109 VAL HG12 H 1 1.093 0.030 . 1 . . . . 109 VAL HG1 . 10006 1 1323 . 1 1 109 109 VAL HG13 H 1 1.093 0.030 . 1 . . . . 109 VAL HG1 . 10006 1 1324 . 1 1 109 109 VAL HG21 H 1 1.134 0.030 . 1 . . . . 109 VAL HG2 . 10006 1 1325 . 1 1 109 109 VAL HG22 H 1 1.134 0.030 . 1 . . . . 109 VAL HG2 . 10006 1 1326 . 1 1 109 109 VAL HG23 H 1 1.134 0.030 . 1 . . . . 109 VAL HG2 . 10006 1 1327 . 1 1 109 109 VAL C C 13 171.944 0.300 . 1 . . . . 109 VAL C . 10006 1 1328 . 1 1 109 109 VAL CA C 13 60.613 0.300 . 1 . . . . 109 VAL CA . 10006 1 1329 . 1 1 109 109 VAL CB C 13 34.180 0.300 . 1 . . . . 109 VAL CB . 10006 1 1330 . 1 1 109 109 VAL CG1 C 13 21.797 0.300 . 1 . . . . 109 VAL CG1 . 10006 1 1331 . 1 1 109 109 VAL CG2 C 13 20.165 0.300 . 1 . . . . 109 VAL CG2 . 10006 1 1332 . 1 1 109 109 VAL N N 15 125.554 0.300 . 1 . . . . 109 VAL N . 10006 1 1333 . 1 1 110 110 ALA H H 1 8.393 0.030 . 1 . . . . 110 ALA H . 10006 1 1334 . 1 1 110 110 ALA HA H 1 5.962 0.030 . 1 . . . . 110 ALA HA . 10006 1 1335 . 1 1 110 110 ALA HB1 H 1 1.181 0.030 . 1 . . . . 110 ALA HB . 10006 1 1336 . 1 1 110 110 ALA HB2 H 1 1.181 0.030 . 1 . . . . 110 ALA HB . 10006 1 1337 . 1 1 110 110 ALA HB3 H 1 1.181 0.030 . 1 . . . . 110 ALA HB . 10006 1 1338 . 1 1 110 110 ALA C C 13 178.869 0.300 . 1 . . . . 110 ALA C . 10006 1 1339 . 1 1 110 110 ALA CA C 13 49.241 0.300 . 1 . . . . 110 ALA CA . 10006 1 1340 . 1 1 110 110 ALA CB C 13 20.624 0.300 . 1 . . . . 110 ALA CB . 10006 1 1341 . 1 1 110 110 ALA N N 15 129.950 0.300 . 1 . . . . 110 ALA N . 10006 1 1342 . 1 1 111 111 THR H H 1 8.692 0.030 . 1 . . . . 111 THR H . 10006 1 1343 . 1 1 111 111 THR HA H 1 4.308 0.030 . 1 . . . . 111 THR HA . 10006 1 1344 . 1 1 111 111 THR HB H 1 4.772 0.030 . 1 . . . . 111 THR HB . 10006 1 1345 . 1 1 111 111 THR HG1 H 1 6.936 0.030 . 1 . . . . 111 THR HG1 . 10006 1 1346 . 1 1 111 111 THR HG21 H 1 1.219 0.030 . 1 . . . . 111 THR HG2 . 10006 1 1347 . 1 1 111 111 THR HG22 H 1 1.219 0.030 . 1 . . . . 111 THR HG2 . 10006 1 1348 . 1 1 111 111 THR HG23 H 1 1.219 0.030 . 1 . . . . 111 THR HG2 . 10006 1 1349 . 1 1 111 111 THR C C 13 176.561 0.300 . 1 . . . . 111 THR C . 10006 1 1350 . 1 1 111 111 THR CA C 13 60.947 0.300 . 1 . . . . 111 THR CA . 10006 1 1351 . 1 1 111 111 THR CB C 13 70.421 0.300 . 1 . . . . 111 THR CB . 10006 1 1352 . 1 1 111 111 THR CG2 C 13 24.608 0.300 . 1 . . . . 111 THR CG2 . 10006 1 1353 . 1 1 111 111 THR N N 15 110.363 0.300 . 1 . . . . 111 THR N . 10006 1 1354 . 1 1 112 112 THR H H 1 7.289 0.030 . 1 . . . . 112 THR H . 10006 1 1355 . 1 1 112 112 THR HA H 1 4.359 0.030 . 1 . . . . 112 THR HA . 10006 1 1356 . 1 1 112 112 THR HB H 1 4.584 0.030 . 1 . . . . 112 THR HB . 10006 1 1357 . 1 1 112 112 THR HG21 H 1 1.158 0.030 . 1 . . . . 112 THR HG2 . 10006 1 1358 . 1 1 112 112 THR HG22 H 1 1.158 0.030 . 1 . . . . 112 THR HG2 . 10006 1 1359 . 1 1 112 112 THR HG23 H 1 1.158 0.030 . 1 . . . . 112 THR HG2 . 10006 1 1360 . 1 1 112 112 THR C C 13 174.797 0.300 . 1 . . . . 112 THR C . 10006 1 1361 . 1 1 112 112 THR CA C 13 61.308 0.300 . 1 . . . . 112 THR CA . 10006 1 1362 . 1 1 112 112 THR CB C 13 69.919 0.300 . 1 . . . . 112 THR CB . 10006 1 1363 . 1 1 112 112 THR CG2 C 13 21.805 0.300 . 1 . . . . 112 THR CG2 . 10006 1 1364 . 1 1 112 112 THR N N 15 109.640 0.300 . 1 . . . . 112 THR N . 10006 1 1365 . 1 1 113 113 ARG H H 1 8.157 0.030 . 1 . . . . 113 ARG H . 10006 1 1366 . 1 1 113 113 ARG HA H 1 4.401 0.030 . 1 . . . . 113 ARG HA . 10006 1 1367 . 1 1 113 113 ARG HB2 H 1 1.830 0.030 . 1 . . . . 113 ARG HB2 . 10006 1 1368 . 1 1 113 113 ARG HB3 H 1 1.830 0.030 . 1 . . . . 113 ARG HB3 . 10006 1 1369 . 1 1 113 113 ARG HG2 H 1 1.699 0.030 . 2 . . . . 113 ARG HG2 . 10006 1 1370 . 1 1 113 113 ARG HG3 H 1 1.609 0.030 . 2 . . . . 113 ARG HG3 . 10006 1 1371 . 1 1 113 113 ARG HD2 H 1 3.180 0.030 . 1 . . . . 113 ARG HD2 . 10006 1 1372 . 1 1 113 113 ARG HD3 H 1 3.180 0.030 . 1 . . . . 113 ARG HD3 . 10006 1 1373 . 1 1 113 113 ARG C C 13 176.451 0.300 . 1 . . . . 113 ARG C . 10006 1 1374 . 1 1 113 113 ARG CA C 13 56.393 0.300 . 1 . . . . 113 ARG CA . 10006 1 1375 . 1 1 113 113 ARG CB C 13 31.557 0.300 . 1 . . . . 113 ARG CB . 10006 1 1376 . 1 1 113 113 ARG CG C 13 27.072 0.300 . 1 . . . . 113 ARG CG . 10006 1 1377 . 1 1 113 113 ARG CD C 13 43.748 0.300 . 1 . . . . 113 ARG CD . 10006 1 1378 . 1 1 113 113 ARG N N 15 116.099 0.300 . 1 . . . . 113 ARG N . 10006 1 1379 . 1 1 114 114 GLU H H 1 9.468 0.030 . 1 . . . . 114 GLU H . 10006 1 1380 . 1 1 114 114 GLU HA H 1 3.770 0.030 . 1 . . . . 114 GLU HA . 10006 1 1381 . 1 1 114 114 GLU HB2 H 1 1.824 0.030 . 2 . . . . 114 GLU HB2 . 10006 1 1382 . 1 1 114 114 GLU HB3 H 1 1.639 0.030 . 2 . . . . 114 GLU HB3 . 10006 1 1383 . 1 1 114 114 GLU HG2 H 1 1.985 0.030 . 2 . . . . 114 GLU HG2 . 10006 1 1384 . 1 1 114 114 GLU HG3 H 1 1.829 0.030 . 2 . . . . 114 GLU HG3 . 10006 1 1385 . 1 1 114 114 GLU C C 13 175.846 0.300 . 1 . . . . 114 GLU C . 10006 1 1386 . 1 1 114 114 GLU CA C 13 57.186 0.300 . 1 . . . . 114 GLU CA . 10006 1 1387 . 1 1 114 114 GLU CB C 13 29.798 0.300 . 1 . . . . 114 GLU CB . 10006 1 1388 . 1 1 114 114 GLU CG C 13 36.058 0.300 . 1 . . . . 114 GLU CG . 10006 1 1389 . 1 1 114 114 GLU N N 15 124.505 0.300 . 1 . . . . 114 GLU N . 10006 1 stop_ save_