data_10099 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10099 _Entry.Title ; Solution Structure of the First Fibronectin Type III domain of human KIAA1568 Protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-13 _Entry.Accession_date 2007-02-13 _Entry.Last_release_date 2008-08-15 _Entry.Original_release_date 2008-08-15 _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 H. Li . . . 10099 2 T. Kigawa . . . 10099 3 N. Tochio . . . 10099 4 S. Koshiba . . . 10099 5 M. Inoue . . . 10099 6 S. Yokoyama . . . 10099 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10099 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10099 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 464 10099 '15N chemical shifts' 120 10099 '1H chemical shifts' 775 10099 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-15 2007-02-13 original author . 10099 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UEM 'BMRB Entry Tracking System' 10099 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10099 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution Structure of the First Fibronectin Type III domain of human KIAA1568 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 H. Li . . . 10099 1 2 T. Kigawa . . . 10099 1 3 N. Tochio . . . 10099 1 4 S. Koshiba . . . 10099 1 5 M. Inoue . . . 10099 1 6 S. Yokoyama . . . 10099 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10099 _Assembly.ID 1 _Assembly.Name 'KIAA1568 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' 10099 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 'KIAA1568 Protein' 1 $entity_1 . . yes native no no . . . 10099 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 . PDB 1UEM . . . . . . 10099 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10099 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Fibronectin Type III 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 ; GSSGSSGKNYDLSDLPGPPS KPQVTDVTKNSVTLSWQPGT PGTLPASAYIIEAFSQSVSN SWQTVANHVKTTLYTVRGLR PNTIYLFMVRAINPQGLSDP SPMSDPVRTQDSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UEM . "Solution Structure Of The First Fibronectin Type Iii Domain Of Human Kiaa1568 Protein" . . . . . 100.00 117 100.00 100.00 3.27e-76 . . . . 10099 1 2 no REF XP_002802664 . "PREDICTED: roundabout homolog 2-like [Macaca mulatta]" . . . . . 91.45 1731 97.20 98.13 7.65e-61 . . . . 10099 1 3 no REF XP_008574551 . "PREDICTED: roundabout homolog 2 [Galeopterus variegatus]" . . . . . 91.45 1092 97.20 98.13 2.33e-61 . . . . 10099 1 4 no REF XP_009196316 . "PREDICTED: roundabout homolog 2 isoform X1 [Papio anubis]" . . . . . 91.45 1386 97.20 98.13 2.99e-61 . . . . 10099 1 5 no REF XP_011746215 . "PREDICTED: roundabout homolog 2 isoform X5 [Macaca nemestrina]" . . . . . 91.45 1388 97.20 98.13 3.41e-61 . . . . 10099 1 6 no REF XP_011746218 . "PREDICTED: roundabout homolog 2 isoform X5 [Macaca nemestrina]" . . . . . 91.45 1388 97.20 98.13 3.41e-61 . . . . 10099 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Fibronectin Type III domain' . 10099 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 . 10099 1 2 . SER . 10099 1 3 . SER . 10099 1 4 . GLY . 10099 1 5 . SER . 10099 1 6 . SER . 10099 1 7 . GLY . 10099 1 8 . LYS . 10099 1 9 . ASN . 10099 1 10 . TYR . 10099 1 11 . ASP . 10099 1 12 . LEU . 10099 1 13 . SER . 10099 1 14 . ASP . 10099 1 15 . LEU . 10099 1 16 . PRO . 10099 1 17 . GLY . 10099 1 18 . PRO . 10099 1 19 . PRO . 10099 1 20 . SER . 10099 1 21 . LYS . 10099 1 22 . PRO . 10099 1 23 . GLN . 10099 1 24 . VAL . 10099 1 25 . THR . 10099 1 26 . ASP . 10099 1 27 . VAL . 10099 1 28 . THR . 10099 1 29 . LYS . 10099 1 30 . ASN . 10099 1 31 . SER . 10099 1 32 . VAL . 10099 1 33 . THR . 10099 1 34 . LEU . 10099 1 35 . SER . 10099 1 36 . TRP . 10099 1 37 . GLN . 10099 1 38 . PRO . 10099 1 39 . GLY . 10099 1 40 . THR . 10099 1 41 . PRO . 10099 1 42 . GLY . 10099 1 43 . THR . 10099 1 44 . LEU . 10099 1 45 . PRO . 10099 1 46 . ALA . 10099 1 47 . SER . 10099 1 48 . ALA . 10099 1 49 . TYR . 10099 1 50 . ILE . 10099 1 51 . ILE . 10099 1 52 . GLU . 10099 1 53 . ALA . 10099 1 54 . PHE . 10099 1 55 . SER . 10099 1 56 . GLN . 10099 1 57 . SER . 10099 1 58 . VAL . 10099 1 59 . SER . 10099 1 60 . ASN . 10099 1 61 . SER . 10099 1 62 . TRP . 10099 1 63 . GLN . 10099 1 64 . THR . 10099 1 65 . VAL . 10099 1 66 . ALA . 10099 1 67 . ASN . 10099 1 68 . HIS . 10099 1 69 . VAL . 10099 1 70 . LYS . 10099 1 71 . THR . 10099 1 72 . THR . 10099 1 73 . LEU . 10099 1 74 . TYR . 10099 1 75 . THR . 10099 1 76 . VAL . 10099 1 77 . ARG . 10099 1 78 . GLY . 10099 1 79 . LEU . 10099 1 80 . ARG . 10099 1 81 . PRO . 10099 1 82 . ASN . 10099 1 83 . THR . 10099 1 84 . ILE . 10099 1 85 . TYR . 10099 1 86 . LEU . 10099 1 87 . PHE . 10099 1 88 . MET . 10099 1 89 . VAL . 10099 1 90 . ARG . 10099 1 91 . ALA . 10099 1 92 . ILE . 10099 1 93 . ASN . 10099 1 94 . PRO . 10099 1 95 . GLN . 10099 1 96 . GLY . 10099 1 97 . LEU . 10099 1 98 . SER . 10099 1 99 . ASP . 10099 1 100 . PRO . 10099 1 101 . SER . 10099 1 102 . PRO . 10099 1 103 . MET . 10099 1 104 . SER . 10099 1 105 . ASP . 10099 1 106 . PRO . 10099 1 107 . VAL . 10099 1 108 . ARG . 10099 1 109 . THR . 10099 1 110 . GLN . 10099 1 111 . ASP . 10099 1 112 . SER . 10099 1 113 . GLY . 10099 1 114 . PRO . 10099 1 115 . SER . 10099 1 116 . SER . 10099 1 117 . GLY . 10099 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 10099 1 . SER 2 2 10099 1 . SER 3 3 10099 1 . GLY 4 4 10099 1 . SER 5 5 10099 1 . SER 6 6 10099 1 . GLY 7 7 10099 1 . LYS 8 8 10099 1 . ASN 9 9 10099 1 . TYR 10 10 10099 1 . ASP 11 11 10099 1 . LEU 12 12 10099 1 . SER 13 13 10099 1 . ASP 14 14 10099 1 . LEU 15 15 10099 1 . PRO 16 16 10099 1 . GLY 17 17 10099 1 . PRO 18 18 10099 1 . PRO 19 19 10099 1 . SER 20 20 10099 1 . LYS 21 21 10099 1 . PRO 22 22 10099 1 . GLN 23 23 10099 1 . VAL 24 24 10099 1 . THR 25 25 10099 1 . ASP 26 26 10099 1 . VAL 27 27 10099 1 . THR 28 28 10099 1 . LYS 29 29 10099 1 . ASN 30 30 10099 1 . SER 31 31 10099 1 . VAL 32 32 10099 1 . THR 33 33 10099 1 . LEU 34 34 10099 1 . SER 35 35 10099 1 . TRP 36 36 10099 1 . GLN 37 37 10099 1 . PRO 38 38 10099 1 . GLY 39 39 10099 1 . THR 40 40 10099 1 . PRO 41 41 10099 1 . GLY 42 42 10099 1 . THR 43 43 10099 1 . LEU 44 44 10099 1 . PRO 45 45 10099 1 . ALA 46 46 10099 1 . SER 47 47 10099 1 . ALA 48 48 10099 1 . TYR 49 49 10099 1 . ILE 50 50 10099 1 . ILE 51 51 10099 1 . GLU 52 52 10099 1 . ALA 53 53 10099 1 . PHE 54 54 10099 1 . SER 55 55 10099 1 . GLN 56 56 10099 1 . SER 57 57 10099 1 . VAL 58 58 10099 1 . SER 59 59 10099 1 . ASN 60 60 10099 1 . SER 61 61 10099 1 . TRP 62 62 10099 1 . GLN 63 63 10099 1 . THR 64 64 10099 1 . VAL 65 65 10099 1 . ALA 66 66 10099 1 . ASN 67 67 10099 1 . HIS 68 68 10099 1 . VAL 69 69 10099 1 . LYS 70 70 10099 1 . THR 71 71 10099 1 . THR 72 72 10099 1 . LEU 73 73 10099 1 . TYR 74 74 10099 1 . THR 75 75 10099 1 . VAL 76 76 10099 1 . ARG 77 77 10099 1 . GLY 78 78 10099 1 . LEU 79 79 10099 1 . ARG 80 80 10099 1 . PRO 81 81 10099 1 . ASN 82 82 10099 1 . THR 83 83 10099 1 . ILE 84 84 10099 1 . TYR 85 85 10099 1 . LEU 86 86 10099 1 . PHE 87 87 10099 1 . MET 88 88 10099 1 . VAL 89 89 10099 1 . ARG 90 90 10099 1 . ALA 91 91 10099 1 . ILE 92 92 10099 1 . ASN 93 93 10099 1 . PRO 94 94 10099 1 . GLN 95 95 10099 1 . GLY 96 96 10099 1 . LEU 97 97 10099 1 . SER 98 98 10099 1 . ASP 99 99 10099 1 . PRO 100 100 10099 1 . SER 101 101 10099 1 . PRO 102 102 10099 1 . MET 103 103 10099 1 . SER 104 104 10099 1 . ASP 105 105 10099 1 . PRO 106 106 10099 1 . VAL 107 107 10099 1 . ARG 108 108 10099 1 . THR 109 109 10099 1 . GLN 110 110 10099 1 . ASP 111 111 10099 1 . SER 112 112 10099 1 . GLY 113 113 10099 1 . PRO 114 114 10099 1 . SER 115 115 10099 1 . SER 116 116 10099 1 . GLY 117 117 10099 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 10099 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10099 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 10099 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P021007-51 . . . . . . 10099 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10099 _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 'fibronectin type III domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.1 . . mM . . . . 10099 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10099 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10099 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 10099 1 5 H2O . . . . . . solvent 90 . . % . . . . 10099 1 6 D2O . . . . . . solvent 10 . . % . . . . 10099 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 10099 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10099 1 pH 6.0 0.05 pH 10099 1 pressure 1 0.001 atm 10099 1 temperature 298 0.1 K 10099 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10099 _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 . . 10099 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10099 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10099 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10099 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10099 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10099 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10099 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10099 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10099 _Software.ID 4 _Software.Name Kujira _Software.Version 0.811 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10099 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10099 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10099 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10099 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10099 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10099 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Billeter, M.' . . 10099 6 'Guntert, P.' . . 10099 6 'Koradi, R.' . . 10099 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10099 6 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 10099 _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 10099 _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 . . . . . . . . . . . . . . . . 10099 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10099 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 10099 _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 10099 _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 10099 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10099 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10099 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10099 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10099 _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 10099 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10099 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.588 0.030 . 1 . . . . 2 SER HA . 10099 1 2 . 1 1 2 2 SER HB2 H 1 3.900 0.030 . 1 . . . . 2 SER HB2 . 10099 1 3 . 1 1 2 2 SER HB3 H 1 3.900 0.030 . 1 . . . . 2 SER HB3 . 10099 1 4 . 1 1 2 2 SER C C 13 174.769 0.300 . 1 . . . . 2 SER C . 10099 1 5 . 1 1 2 2 SER CA C 13 58.395 0.300 . 1 . . . . 2 SER CA . 10099 1 6 . 1 1 2 2 SER CB C 13 63.819 0.300 . 1 . . . . 2 SER CB . 10099 1 7 . 1 1 3 3 SER H H 1 8.591 0.030 . 1 . . . . 3 SER H . 10099 1 8 . 1 1 3 3 SER HA H 1 4.505 0.030 . 1 . . . . 3 SER HA . 10099 1 9 . 1 1 3 3 SER HB2 H 1 3.912 0.030 . 1 . . . . 3 SER HB2 . 10099 1 10 . 1 1 3 3 SER HB3 H 1 3.912 0.030 . 1 . . . . 3 SER HB3 . 10099 1 11 . 1 1 3 3 SER CA C 13 58.571 0.300 . 1 . . . . 3 SER CA . 10099 1 12 . 1 1 3 3 SER CB C 13 64.051 0.300 . 1 . . . . 3 SER CB . 10099 1 13 . 1 1 3 3 SER N N 15 118.123 0.300 . 1 . . . . 3 SER N . 10099 1 14 . 1 1 4 4 GLY H H 1 8.479 0.030 . 1 . . . . 4 GLY H . 10099 1 15 . 1 1 4 4 GLY C C 13 174.332 0.300 . 1 . . . . 4 GLY C . 10099 1 16 . 1 1 4 4 GLY CA C 13 45.415 0.300 . 1 . . . . 4 GLY CA . 10099 1 17 . 1 1 4 4 GLY N N 15 110.958 0.300 . 1 . . . . 4 GLY N . 10099 1 18 . 1 1 5 5 SER H H 1 8.304 0.030 . 1 . . . . 5 SER H . 10099 1 19 . 1 1 5 5 SER HA H 1 4.505 0.030 . 1 . . . . 5 SER HA . 10099 1 20 . 1 1 5 5 SER HB2 H 1 3.912 0.030 . 1 . . . . 5 SER HB2 . 10099 1 21 . 1 1 5 5 SER HB3 H 1 3.912 0.030 . 1 . . . . 5 SER HB3 . 10099 1 22 . 1 1 5 5 SER C C 13 174.891 0.300 . 1 . . . . 5 SER C . 10099 1 23 . 1 1 5 5 SER CA C 13 58.606 0.300 . 1 . . . . 5 SER CA . 10099 1 24 . 1 1 5 5 SER CB C 13 63.886 0.300 . 1 . . . . 5 SER CB . 10099 1 25 . 1 1 5 5 SER N N 15 115.822 0.300 . 1 . . . . 5 SER N . 10099 1 26 . 1 1 6 6 SER H H 1 8.441 0.030 . 1 . . . . 6 SER H . 10099 1 27 . 1 1 6 6 SER HA H 1 4.482 0.030 . 1 . . . . 6 SER HA . 10099 1 28 . 1 1 6 6 SER HB2 H 1 3.924 0.030 . 1 . . . . 6 SER HB2 . 10099 1 29 . 1 1 6 6 SER HB3 H 1 3.924 0.030 . 1 . . . . 6 SER HB3 . 10099 1 30 . 1 1 6 6 SER C C 13 175.061 0.300 . 1 . . . . 6 SER C . 10099 1 31 . 1 1 6 6 SER CA C 13 58.677 0.300 . 1 . . . . 6 SER CA . 10099 1 32 . 1 1 6 6 SER CB C 13 63.886 0.300 . 1 . . . . 6 SER CB . 10099 1 33 . 1 1 6 6 SER N N 15 117.811 0.300 . 1 . . . . 6 SER N . 10099 1 34 . 1 1 7 7 GLY H H 1 8.391 0.030 . 1 . . . . 7 GLY H . 10099 1 35 . 1 1 7 7 GLY HA2 H 1 3.970 0.030 . 1 . . . . 7 GLY HA2 . 10099 1 36 . 1 1 7 7 GLY HA3 H 1 3.970 0.030 . 1 . . . . 7 GLY HA3 . 10099 1 37 . 1 1 7 7 GLY C C 13 173.895 0.300 . 1 . . . . 7 GLY C . 10099 1 38 . 1 1 7 7 GLY CA C 13 45.344 0.300 . 1 . . . . 7 GLY CA . 10099 1 39 . 1 1 7 7 GLY N N 15 110.699 0.300 . 1 . . . . 7 GLY N . 10099 1 40 . 1 1 8 8 LYS H H 1 8.081 0.030 . 1 . . . . 8 LYS H . 10099 1 41 . 1 1 8 8 LYS HA H 1 4.289 0.030 . 1 . . . . 8 LYS HA . 10099 1 42 . 1 1 8 8 LYS HB2 H 1 1.645 0.030 . 1 . . . . 8 LYS HB2 . 10099 1 43 . 1 1 8 8 LYS HB3 H 1 1.645 0.030 . 1 . . . . 8 LYS HB3 . 10099 1 44 . 1 1 8 8 LYS HG2 H 1 1.288 0.030 . 1 . . . . 8 LYS HG2 . 10099 1 45 . 1 1 8 8 LYS HG3 H 1 1.288 0.030 . 1 . . . . 8 LYS HG3 . 10099 1 46 . 1 1 8 8 LYS HD2 H 1 1.625 0.030 . 1 . . . . 8 LYS HD2 . 10099 1 47 . 1 1 8 8 LYS HD3 H 1 1.625 0.030 . 1 . . . . 8 LYS HD3 . 10099 1 48 . 1 1 8 8 LYS HE2 H 1 3.002 0.030 . 1 . . . . 8 LYS HE2 . 10099 1 49 . 1 1 8 8 LYS HE3 H 1 3.002 0.030 . 1 . . . . 8 LYS HE3 . 10099 1 50 . 1 1 8 8 LYS C C 13 175.959 0.300 . 1 . . . . 8 LYS C . 10099 1 51 . 1 1 8 8 LYS CA C 13 55.996 0.300 . 1 . . . . 8 LYS CA . 10099 1 52 . 1 1 8 8 LYS CB C 13 33.056 0.300 . 1 . . . . 8 LYS CB . 10099 1 53 . 1 1 8 8 LYS CG C 13 24.529 0.300 . 1 . . . . 8 LYS CG . 10099 1 54 . 1 1 8 8 LYS CD C 13 28.980 0.300 . 1 . . . . 8 LYS CD . 10099 1 55 . 1 1 8 8 LYS CE C 13 42.170 0.300 . 1 . . . . 8 LYS CE . 10099 1 56 . 1 1 8 8 LYS N N 15 120.592 0.300 . 1 . . . . 8 LYS N . 10099 1 57 . 1 1 9 9 ASN H H 1 8.401 0.030 . 1 . . . . 9 ASN H . 10099 1 58 . 1 1 9 9 ASN HA H 1 4.672 0.030 . 1 . . . . 9 ASN HA . 10099 1 59 . 1 1 9 9 ASN HB2 H 1 2.771 0.030 . 2 . . . . 9 ASN HB2 . 10099 1 60 . 1 1 9 9 ASN HB3 H 1 2.681 0.030 . 2 . . . . 9 ASN HB3 . 10099 1 61 . 1 1 9 9 ASN HD21 H 1 6.903 0.030 . 2 . . . . 9 ASN HD21 . 10099 1 62 . 1 1 9 9 ASN HD22 H 1 7.561 0.030 . 2 . . . . 9 ASN HD22 . 10099 1 63 . 1 1 9 9 ASN C C 13 174.818 0.300 . 1 . . . . 9 ASN C . 10099 1 64 . 1 1 9 9 ASN CA C 13 53.139 0.300 . 1 . . . . 9 ASN CA . 10099 1 65 . 1 1 9 9 ASN CB C 13 38.935 0.300 . 1 . . . . 9 ASN CB . 10099 1 66 . 1 1 9 9 ASN N N 15 119.913 0.300 . 1 . . . . 9 ASN N . 10099 1 67 . 1 1 9 9 ASN ND2 N 15 112.869 0.300 . 1 . . . . 9 ASN ND2 . 10099 1 68 . 1 1 10 10 TYR H H 1 8.102 0.030 . 1 . . . . 10 TYR H . 10099 1 69 . 1 1 10 10 TYR HA H 1 4.559 0.030 . 1 . . . . 10 TYR HA . 10099 1 70 . 1 1 10 10 TYR HB2 H 1 3.107 0.030 . 2 . . . . 10 TYR HB2 . 10099 1 71 . 1 1 10 10 TYR HB3 H 1 2.883 0.030 . 2 . . . . 10 TYR HB3 . 10099 1 72 . 1 1 10 10 TYR HD1 H 1 7.119 0.030 . 1 . . . . 10 TYR HD1 . 10099 1 73 . 1 1 10 10 TYR HD2 H 1 7.119 0.030 . 1 . . . . 10 TYR HD2 . 10099 1 74 . 1 1 10 10 TYR HE1 H 1 6.817 0.030 . 1 . . . . 10 TYR HE1 . 10099 1 75 . 1 1 10 10 TYR HE2 H 1 6.817 0.030 . 1 . . . . 10 TYR HE2 . 10099 1 76 . 1 1 10 10 TYR C C 13 175.593 0.300 . 1 . . . . 10 TYR C . 10099 1 77 . 1 1 10 10 TYR CA C 13 58.260 0.300 . 1 . . . . 10 TYR CA . 10099 1 78 . 1 1 10 10 TYR CB C 13 38.762 0.300 . 1 . . . . 10 TYR CB . 10099 1 79 . 1 1 10 10 TYR CD1 C 13 133.300 0.300 . 1 . . . . 10 TYR CD1 . 10099 1 80 . 1 1 10 10 TYR CD2 C 13 133.300 0.300 . 1 . . . . 10 TYR CD2 . 10099 1 81 . 1 1 10 10 TYR CE1 C 13 118.212 0.300 . 1 . . . . 10 TYR CE1 . 10099 1 82 . 1 1 10 10 TYR CE2 C 13 118.212 0.300 . 1 . . . . 10 TYR CE2 . 10099 1 83 . 1 1 10 10 TYR N N 15 120.592 0.300 . 1 . . . . 10 TYR N . 10099 1 84 . 1 1 11 11 ASP H H 1 8.451 0.030 . 1 . . . . 11 ASP H . 10099 1 85 . 1 1 11 11 ASP HA H 1 4.619 0.030 . 1 . . . . 11 ASP HA . 10099 1 86 . 1 1 11 11 ASP HB2 H 1 2.704 0.030 . 2 . . . . 11 ASP HB2 . 10099 1 87 . 1 1 11 11 ASP HB3 H 1 2.614 0.030 . 2 . . . . 11 ASP HB3 . 10099 1 88 . 1 1 11 11 ASP C C 13 176.227 0.300 . 1 . . . . 11 ASP C . 10099 1 89 . 1 1 11 11 ASP CA C 13 54.238 0.300 . 1 . . . . 11 ASP CA . 10099 1 90 . 1 1 11 11 ASP CB C 13 41.549 0.300 . 1 . . . . 11 ASP CB . 10099 1 91 . 1 1 11 11 ASP N N 15 121.651 0.300 . 1 . . . . 11 ASP N . 10099 1 92 . 1 1 12 12 LEU H H 1 8.113 0.030 . 1 . . . . 12 LEU H . 10099 1 93 . 1 1 12 12 LEU HA H 1 4.316 0.030 . 1 . . . . 12 LEU HA . 10099 1 94 . 1 1 12 12 LEU HB2 H 1 1.653 0.030 . 2 . . . . 12 LEU HB2 . 10099 1 95 . 1 1 12 12 LEU HB3 H 1 1.623 0.030 . 2 . . . . 12 LEU HB3 . 10099 1 96 . 1 1 12 12 LEU HG H 1 1.634 0.030 . 1 . . . . 12 LEU HG . 10099 1 97 . 1 1 12 12 LEU HD11 H 1 0.937 0.030 . 1 . . . . 12 LEU HD1 . 10099 1 98 . 1 1 12 12 LEU HD12 H 1 0.937 0.030 . 1 . . . . 12 LEU HD1 . 10099 1 99 . 1 1 12 12 LEU HD13 H 1 0.937 0.030 . 1 . . . . 12 LEU HD1 . 10099 1 100 . 1 1 12 12 LEU HD21 H 1 0.870 0.030 . 1 . . . . 12 LEU HD2 . 10099 1 101 . 1 1 12 12 LEU HD22 H 1 0.870 0.030 . 1 . . . . 12 LEU HD2 . 10099 1 102 . 1 1 12 12 LEU HD23 H 1 0.870 0.030 . 1 . . . . 12 LEU HD2 . 10099 1 103 . 1 1 12 12 LEU C C 13 177.635 0.300 . 1 . . . . 12 LEU C . 10099 1 104 . 1 1 12 12 LEU CA C 13 55.468 0.300 . 1 . . . . 12 LEU CA . 10099 1 105 . 1 1 12 12 LEU CB C 13 41.959 0.300 . 1 . . . . 12 LEU CB . 10099 1 106 . 1 1 12 12 LEU CG C 13 27.094 0.300 . 1 . . . . 12 LEU CG . 10099 1 107 . 1 1 12 12 LEU CD1 C 13 25.177 0.300 . 2 . . . . 12 LEU CD1 . 10099 1 108 . 1 1 12 12 LEU CD2 C 13 23.522 0.300 . 2 . . . . 12 LEU CD2 . 10099 1 109 . 1 1 12 12 LEU N N 15 122.232 0.300 . 1 . . . . 12 LEU N . 10099 1 110 . 1 1 13 13 SER H H 1 8.304 0.030 . 1 . . . . 13 SER H . 10099 1 111 . 1 1 13 13 SER HA H 1 4.403 0.030 . 1 . . . . 13 SER HA . 10099 1 112 . 1 1 13 13 SER HB2 H 1 3.885 0.030 . 2 . . . . 13 SER HB2 . 10099 1 113 . 1 1 13 13 SER HB3 H 1 3.844 0.030 . 2 . . . . 13 SER HB3 . 10099 1 114 . 1 1 13 13 SER C C 13 174.162 0.300 . 1 . . . . 13 SER C . 10099 1 115 . 1 1 13 13 SER CA C 13 58.747 0.300 . 1 . . . . 13 SER CA . 10099 1 116 . 1 1 13 13 SER CB C 13 63.886 0.300 . 1 . . . . 13 SER CB . 10099 1 117 . 1 1 13 13 SER N N 15 115.822 0.300 . 1 . . . . 13 SER N . 10099 1 118 . 1 1 14 14 ASP H H 1 8.338 0.030 . 1 . . . . 14 ASP H . 10099 1 119 . 1 1 14 14 ASP HA H 1 4.695 0.030 . 1 . . . . 14 ASP HA . 10099 1 120 . 1 1 14 14 ASP HB2 H 1 2.719 0.030 . 2 . . . . 14 ASP HB2 . 10099 1 121 . 1 1 14 14 ASP HB3 H 1 2.634 0.030 . 2 . . . . 14 ASP HB3 . 10099 1 122 . 1 1 14 14 ASP C C 13 176.202 0.300 . 1 . . . . 14 ASP C . 10099 1 123 . 1 1 14 14 ASP CA C 13 54.585 0.300 . 1 . . . . 14 ASP CA . 10099 1 124 . 1 1 14 14 ASP CB C 13 41.449 0.300 . 1 . . . . 14 ASP CB . 10099 1 125 . 1 1 14 14 ASP N N 15 121.435 0.300 . 1 . . . . 14 ASP N . 10099 1 126 . 1 1 15 15 LEU H H 1 7.890 0.030 . 1 . . . . 15 LEU H . 10099 1 127 . 1 1 15 15 LEU HA H 1 4.374 0.030 . 1 . . . . 15 LEU HA . 10099 1 128 . 1 1 15 15 LEU HB2 H 1 1.572 0.030 . 2 . . . . 15 LEU HB2 . 10099 1 129 . 1 1 15 15 LEU HB3 H 1 1.305 0.030 . 2 . . . . 15 LEU HB3 . 10099 1 130 . 1 1 15 15 LEU HG H 1 1.614 0.030 . 1 . . . . 15 LEU HG . 10099 1 131 . 1 1 15 15 LEU HD11 H 1 0.894 0.030 . 1 . . . . 15 LEU HD1 . 10099 1 132 . 1 1 15 15 LEU HD12 H 1 0.894 0.030 . 1 . . . . 15 LEU HD1 . 10099 1 133 . 1 1 15 15 LEU HD13 H 1 0.894 0.030 . 1 . . . . 15 LEU HD1 . 10099 1 134 . 1 1 15 15 LEU HD21 H 1 0.693 0.030 . 1 . . . . 15 LEU HD2 . 10099 1 135 . 1 1 15 15 LEU HD22 H 1 0.693 0.030 . 1 . . . . 15 LEU HD2 . 10099 1 136 . 1 1 15 15 LEU HD23 H 1 0.693 0.030 . 1 . . . . 15 LEU HD2 . 10099 1 137 . 1 1 15 15 LEU C C 13 174.453 0.300 . 1 . . . . 15 LEU C . 10099 1 138 . 1 1 15 15 LEU CA C 13 53.265 0.300 . 1 . . . . 15 LEU CA . 10099 1 139 . 1 1 15 15 LEU CB C 13 40.919 0.300 . 1 . . . . 15 LEU CB . 10099 1 140 . 1 1 15 15 LEU CG C 13 27.249 0.300 . 1 . . . . 15 LEU CG . 10099 1 141 . 1 1 15 15 LEU CD1 C 13 25.239 0.300 . 2 . . . . 15 LEU CD1 . 10099 1 142 . 1 1 15 15 LEU CD2 C 13 23.037 0.300 . 2 . . . . 15 LEU CD2 . 10099 1 143 . 1 1 15 15 LEU N N 15 122.511 0.300 . 1 . . . . 15 LEU N . 10099 1 144 . 1 1 16 16 PRO HA H 1 4.437 0.030 . 1 . . . . 16 PRO HA . 10099 1 145 . 1 1 16 16 PRO HB2 H 1 2.298 0.030 . 2 . . . . 16 PRO HB2 . 10099 1 146 . 1 1 16 16 PRO HB3 H 1 1.847 0.030 . 2 . . . . 16 PRO HB3 . 10099 1 147 . 1 1 16 16 PRO HG2 H 1 1.834 0.030 . 2 . . . . 16 PRO HG2 . 10099 1 148 . 1 1 16 16 PRO HG3 H 1 1.767 0.030 . 2 . . . . 16 PRO HG3 . 10099 1 149 . 1 1 16 16 PRO HD2 H 1 3.235 0.030 . 2 . . . . 16 PRO HD2 . 10099 1 150 . 1 1 16 16 PRO HD3 H 1 3.638 0.030 . 2 . . . . 16 PRO HD3 . 10099 1 151 . 1 1 16 16 PRO CA C 13 62.451 0.300 . 1 . . . . 16 PRO CA . 10099 1 152 . 1 1 16 16 PRO CB C 13 31.536 0.300 . 1 . . . . 16 PRO CB . 10099 1 153 . 1 1 16 16 PRO CG C 13 27.414 0.300 . 1 . . . . 16 PRO CG . 10099 1 154 . 1 1 16 16 PRO CD C 13 49.918 0.300 . 1 . . . . 16 PRO CD . 10099 1 155 . 1 1 17 17 GLY H H 1 8.579 0.030 . 1 . . . . 17 GLY H . 10099 1 156 . 1 1 17 17 GLY HA2 H 1 3.834 0.030 . 2 . . . . 17 GLY HA2 . 10099 1 157 . 1 1 17 17 GLY HA3 H 1 4.334 0.030 . 2 . . . . 17 GLY HA3 . 10099 1 158 . 1 1 17 17 GLY C C 13 171.004 0.300 . 1 . . . . 17 GLY C . 10099 1 159 . 1 1 17 17 GLY CA C 13 44.075 0.300 . 1 . . . . 17 GLY CA . 10099 1 160 . 1 1 17 17 GLY N N 15 108.500 0.300 . 1 . . . . 17 GLY N . 10099 1 161 . 1 1 18 18 PRO HA H 1 4.574 0.030 . 1 . . . . 18 PRO HA . 10099 1 162 . 1 1 18 18 PRO HB2 H 1 1.724 0.030 . 2 . . . . 18 PRO HB2 . 10099 1 163 . 1 1 18 18 PRO HB3 H 1 2.034 0.030 . 2 . . . . 18 PRO HB3 . 10099 1 164 . 1 1 18 18 PRO HG2 H 1 2.093 0.030 . 2 . . . . 18 PRO HG2 . 10099 1 165 . 1 1 18 18 PRO HG3 H 1 1.953 0.030 . 2 . . . . 18 PRO HG3 . 10099 1 166 . 1 1 18 18 PRO HD2 H 1 3.794 0.030 . 2 . . . . 18 PRO HD2 . 10099 1 167 . 1 1 18 18 PRO HD3 H 1 3.663 0.030 . 2 . . . . 18 PRO HD3 . 10099 1 168 . 1 1 18 18 PRO CB C 13 31.570 0.300 . 1 . . . . 18 PRO CB . 10099 1 169 . 1 1 18 18 PRO CG C 13 27.919 0.300 . 1 . . . . 18 PRO CG . 10099 1 170 . 1 1 18 18 PRO CD C 13 49.758 0.300 . 1 . . . . 18 PRO CD . 10099 1 171 . 1 1 19 19 PRO HA H 1 4.723 0.030 . 1 . . . . 19 PRO HA . 10099 1 172 . 1 1 19 19 PRO HB2 H 1 2.527 0.030 . 2 . . . . 19 PRO HB2 . 10099 1 173 . 1 1 19 19 PRO HB3 H 1 1.794 0.030 . 2 . . . . 19 PRO HB3 . 10099 1 174 . 1 1 19 19 PRO HG2 H 1 1.995 0.030 . 2 . . . . 19 PRO HG2 . 10099 1 175 . 1 1 19 19 PRO HG3 H 1 1.575 0.030 . 2 . . . . 19 PRO HG3 . 10099 1 176 . 1 1 19 19 PRO HD2 H 1 4.220 0.030 . 2 . . . . 19 PRO HD2 . 10099 1 177 . 1 1 19 19 PRO HD3 H 1 3.541 0.030 . 2 . . . . 19 PRO HD3 . 10099 1 178 . 1 1 19 19 PRO CA C 13 61.541 0.300 . 1 . . . . 19 PRO CA . 10099 1 179 . 1 1 19 19 PRO CB C 13 32.690 0.300 . 1 . . . . 19 PRO CB . 10099 1 180 . 1 1 19 19 PRO CG C 13 27.826 0.300 . 1 . . . . 19 PRO CG . 10099 1 181 . 1 1 19 19 PRO CD C 13 50.578 0.300 . 1 . . . . 19 PRO CD . 10099 1 182 . 1 1 20 20 SER H H 1 8.134 0.030 . 1 . . . . 20 SER H . 10099 1 183 . 1 1 20 20 SER HA H 1 4.505 0.030 . 1 . . . . 20 SER HA . 10099 1 184 . 1 1 20 20 SER HB2 H 1 3.965 0.030 . 2 . . . . 20 SER HB2 . 10099 1 185 . 1 1 20 20 SER HB3 H 1 4.238 0.030 . 2 . . . . 20 SER HB3 . 10099 1 186 . 1 1 20 20 SER CA C 13 58.281 0.300 . 1 . . . . 20 SER CA . 10099 1 187 . 1 1 20 20 SER CB C 13 64.563 0.300 . 1 . . . . 20 SER CB . 10099 1 188 . 1 1 20 20 SER N N 15 113.044 0.300 . 1 . . . . 20 SER N . 10099 1 189 . 1 1 21 21 LYS H H 1 8.067 0.030 . 1 . . . . 21 LYS H . 10099 1 190 . 1 1 21 21 LYS HA H 1 4.273 0.030 . 1 . . . . 21 LYS HA . 10099 1 191 . 1 1 21 21 LYS HB2 H 1 1.764 0.030 . 2 . . . . 21 LYS HB2 . 10099 1 192 . 1 1 21 21 LYS HB3 H 1 1.654 0.030 . 2 . . . . 21 LYS HB3 . 10099 1 193 . 1 1 21 21 LYS HG2 H 1 1.324 0.030 . 2 . . . . 21 LYS HG2 . 10099 1 194 . 1 1 21 21 LYS HG3 H 1 1.198 0.030 . 2 . . . . 21 LYS HG3 . 10099 1 195 . 1 1 21 21 LYS HD2 H 1 1.703 0.030 . 2 . . . . 21 LYS HD2 . 10099 1 196 . 1 1 21 21 LYS HD3 H 1 1.622 0.030 . 2 . . . . 21 LYS HD3 . 10099 1 197 . 1 1 21 21 LYS HE2 H 1 3.113 0.030 . 2 . . . . 21 LYS HE2 . 10099 1 198 . 1 1 21 21 LYS HE3 H 1 3.294 0.030 . 2 . . . . 21 LYS HE3 . 10099 1 199 . 1 1 21 21 LYS CA C 13 54.421 0.300 . 1 . . . . 21 LYS CA . 10099 1 200 . 1 1 21 21 LYS CB C 13 34.789 0.300 . 1 . . . . 21 LYS CB . 10099 1 201 . 1 1 21 21 LYS CG C 13 23.899 0.300 . 1 . . . . 21 LYS CG . 10099 1 202 . 1 1 21 21 LYS CD C 13 30.769 0.300 . 1 . . . . 21 LYS CD . 10099 1 203 . 1 1 21 21 LYS CE C 13 42.369 0.300 . 1 . . . . 21 LYS CE . 10099 1 204 . 1 1 21 21 LYS N N 15 116.715 0.300 . 1 . . . . 21 LYS N . 10099 1 205 . 1 1 22 22 PRO HA H 1 5.034 0.030 . 1 . . . . 22 PRO HA . 10099 1 206 . 1 1 22 22 PRO HB2 H 1 2.084 0.030 . 2 . . . . 22 PRO HB2 . 10099 1 207 . 1 1 22 22 PRO HB3 H 1 1.878 0.030 . 2 . . . . 22 PRO HB3 . 10099 1 208 . 1 1 22 22 PRO HG2 H 1 1.958 0.030 . 2 . . . . 22 PRO HG2 . 10099 1 209 . 1 1 22 22 PRO HG3 H 1 1.714 0.030 . 2 . . . . 22 PRO HG3 . 10099 1 210 . 1 1 22 22 PRO HD2 H 1 4.230 0.030 . 2 . . . . 22 PRO HD2 . 10099 1 211 . 1 1 22 22 PRO HD3 H 1 3.803 0.030 . 2 . . . . 22 PRO HD3 . 10099 1 212 . 1 1 22 22 PRO CA C 13 62.553 0.300 . 1 . . . . 22 PRO CA . 10099 1 213 . 1 1 22 22 PRO CB C 13 32.525 0.300 . 1 . . . . 22 PRO CB . 10099 1 214 . 1 1 22 22 PRO CG C 13 27.991 0.300 . 1 . . . . 22 PRO CG . 10099 1 215 . 1 1 22 22 PRO CD C 13 51.306 0.300 . 1 . . . . 22 PRO CD . 10099 1 216 . 1 1 23 23 GLN H H 1 9.510 0.030 . 1 . . . . 23 GLN H . 10099 1 217 . 1 1 23 23 GLN HA H 1 4.484 0.030 . 1 . . . . 23 GLN HA . 10099 1 218 . 1 1 23 23 GLN HB2 H 1 2.110 0.030 . 2 . . . . 23 GLN HB2 . 10099 1 219 . 1 1 23 23 GLN HB3 H 1 1.990 0.030 . 2 . . . . 23 GLN HB3 . 10099 1 220 . 1 1 23 23 GLN HG2 H 1 2.426 0.030 . 1 . . . . 23 GLN HG2 . 10099 1 221 . 1 1 23 23 GLN HG3 H 1 2.426 0.030 . 1 . . . . 23 GLN HG3 . 10099 1 222 . 1 1 23 23 GLN HE21 H 1 6.909 0.030 . 2 . . . . 23 GLN HE21 . 10099 1 223 . 1 1 23 23 GLN HE22 H 1 7.386 0.030 . 2 . . . . 23 GLN HE22 . 10099 1 224 . 1 1 23 23 GLN C C 13 175.376 0.300 . 1 . . . . 23 GLN C . 10099 1 225 . 1 1 23 23 GLN CA C 13 53.986 0.300 . 1 . . . . 23 GLN CA . 10099 1 226 . 1 1 23 23 GLN CB C 13 30.848 0.300 . 1 . . . . 23 GLN CB . 10099 1 227 . 1 1 23 23 GLN CG C 13 33.844 0.300 . 1 . . . . 23 GLN CG . 10099 1 228 . 1 1 23 23 GLN N N 15 122.167 0.300 . 1 . . . . 23 GLN N . 10099 1 229 . 1 1 23 23 GLN NE2 N 15 112.321 0.300 . 1 . . . . 23 GLN NE2 . 10099 1 230 . 1 1 24 24 VAL H H 1 8.675 0.030 . 1 . . . . 24 VAL H . 10099 1 231 . 1 1 24 24 VAL HA H 1 4.707 0.030 . 1 . . . . 24 VAL HA . 10099 1 232 . 1 1 24 24 VAL HB H 1 2.084 0.030 . 1 . . . . 24 VAL HB . 10099 1 233 . 1 1 24 24 VAL HG11 H 1 0.958 0.030 . 1 . . . . 24 VAL HG1 . 10099 1 234 . 1 1 24 24 VAL HG12 H 1 0.958 0.030 . 1 . . . . 24 VAL HG1 . 10099 1 235 . 1 1 24 24 VAL HG13 H 1 0.958 0.030 . 1 . . . . 24 VAL HG1 . 10099 1 236 . 1 1 24 24 VAL HG21 H 1 1.022 0.030 . 1 . . . . 24 VAL HG2 . 10099 1 237 . 1 1 24 24 VAL HG22 H 1 1.022 0.030 . 1 . . . . 24 VAL HG2 . 10099 1 238 . 1 1 24 24 VAL HG23 H 1 1.022 0.030 . 1 . . . . 24 VAL HG2 . 10099 1 239 . 1 1 24 24 VAL C C 13 177.150 0.300 . 1 . . . . 24 VAL C . 10099 1 240 . 1 1 24 24 VAL CA C 13 61.887 0.300 . 1 . . . . 24 VAL CA . 10099 1 241 . 1 1 24 24 VAL CB C 13 32.562 0.300 . 1 . . . . 24 VAL CB . 10099 1 242 . 1 1 24 24 VAL CG1 C 13 22.271 0.300 . 2 . . . . 24 VAL CG1 . 10099 1 243 . 1 1 24 24 VAL CG2 C 13 20.783 0.300 . 2 . . . . 24 VAL CG2 . 10099 1 244 . 1 1 24 24 VAL N N 15 124.080 0.300 . 1 . . . . 24 VAL N . 10099 1 245 . 1 1 25 25 THR H H 1 9.067 0.030 . 1 . . . . 25 THR H . 10099 1 246 . 1 1 25 25 THR HA H 1 4.556 0.030 . 1 . . . . 25 THR HA . 10099 1 247 . 1 1 25 25 THR HB H 1 4.201 0.030 . 1 . . . . 25 THR HB . 10099 1 248 . 1 1 25 25 THR HG21 H 1 1.001 0.030 . 1 . . . . 25 THR HG2 . 10099 1 249 . 1 1 25 25 THR HG22 H 1 1.001 0.030 . 1 . . . . 25 THR HG2 . 10099 1 250 . 1 1 25 25 THR HG23 H 1 1.001 0.030 . 1 . . . . 25 THR HG2 . 10099 1 251 . 1 1 25 25 THR C C 13 174.016 0.300 . 1 . . . . 25 THR C . 10099 1 252 . 1 1 25 25 THR CA C 13 61.132 0.300 . 1 . . . . 25 THR CA . 10099 1 253 . 1 1 25 25 THR CB C 13 69.919 0.300 . 1 . . . . 25 THR CB . 10099 1 254 . 1 1 25 25 THR CG2 C 13 21.891 0.300 . 1 . . . . 25 THR CG2 . 10099 1 255 . 1 1 25 25 THR N N 15 119.614 0.300 . 1 . . . . 25 THR N . 10099 1 256 . 1 1 26 26 ASP H H 1 7.923 0.030 . 1 . . . . 26 ASP H . 10099 1 257 . 1 1 26 26 ASP HA H 1 4.582 0.030 . 1 . . . . 26 ASP HA . 10099 1 258 . 1 1 26 26 ASP HB2 H 1 2.435 0.030 . 2 . . . . 26 ASP HB2 . 10099 1 259 . 1 1 26 26 ASP HB3 H 1 2.628 0.030 . 2 . . . . 26 ASP HB3 . 10099 1 260 . 1 1 26 26 ASP CA C 13 54.859 0.300 . 1 . . . . 26 ASP CA . 10099 1 261 . 1 1 26 26 ASP CB C 13 42.502 0.300 . 1 . . . . 26 ASP CB . 10099 1 262 . 1 1 26 26 ASP N N 15 119.272 0.300 . 1 . . . . 26 ASP N . 10099 1 263 . 1 1 27 27 VAL H H 1 8.128 0.030 . 1 . . . . 27 VAL H . 10099 1 264 . 1 1 27 27 VAL HA H 1 4.565 0.030 . 1 . . . . 27 VAL HA . 10099 1 265 . 1 1 27 27 VAL HB H 1 2.084 0.030 . 1 . . . . 27 VAL HB . 10099 1 266 . 1 1 27 27 VAL HG11 H 1 1.064 0.030 . 1 . . . . 27 VAL HG1 . 10099 1 267 . 1 1 27 27 VAL HG12 H 1 1.064 0.030 . 1 . . . . 27 VAL HG1 . 10099 1 268 . 1 1 27 27 VAL HG13 H 1 1.064 0.030 . 1 . . . . 27 VAL HG1 . 10099 1 269 . 1 1 27 27 VAL HG21 H 1 1.165 0.030 . 1 . . . . 27 VAL HG2 . 10099 1 270 . 1 1 27 27 VAL HG22 H 1 1.165 0.030 . 1 . . . . 27 VAL HG2 . 10099 1 271 . 1 1 27 27 VAL HG23 H 1 1.165 0.030 . 1 . . . . 27 VAL HG2 . 10099 1 272 . 1 1 27 27 VAL C C 13 175.644 0.300 . 1 . . . . 27 VAL C . 10099 1 273 . 1 1 27 27 VAL CA C 13 62.839 0.300 . 1 . . . . 27 VAL CA . 10099 1 274 . 1 1 27 27 VAL CB C 13 34.091 0.300 . 1 . . . . 27 VAL CB . 10099 1 275 . 1 1 27 27 VAL CG1 C 13 22.794 0.300 . 2 . . . . 27 VAL CG1 . 10099 1 276 . 1 1 27 27 VAL CG2 C 13 21.726 0.300 . 2 . . . . 27 VAL CG2 . 10099 1 277 . 1 1 27 27 VAL N N 15 120.831 0.300 . 1 . . . . 27 VAL N . 10099 1 278 . 1 1 28 28 THR H H 1 8.864 0.030 . 1 . . . . 28 THR H . 10099 1 279 . 1 1 28 28 THR HA H 1 4.937 0.030 . 1 . . . . 28 THR HA . 10099 1 280 . 1 1 28 28 THR HB H 1 4.628 0.030 . 1 . . . . 28 THR HB . 10099 1 281 . 1 1 28 28 THR HG21 H 1 1.139 0.030 . 1 . . . . 28 THR HG2 . 10099 1 282 . 1 1 28 28 THR HG22 H 1 1.139 0.030 . 1 . . . . 28 THR HG2 . 10099 1 283 . 1 1 28 28 THR HG23 H 1 1.139 0.030 . 1 . . . . 28 THR HG2 . 10099 1 284 . 1 1 28 28 THR C C 13 175.133 0.300 . 1 . . . . 28 THR C . 10099 1 285 . 1 1 28 28 THR CA C 13 60.647 0.300 . 1 . . . . 28 THR CA . 10099 1 286 . 1 1 28 28 THR CB C 13 71.155 0.300 . 1 . . . . 28 THR CB . 10099 1 287 . 1 1 28 28 THR CG2 C 13 20.572 0.300 . 1 . . . . 28 THR CG2 . 10099 1 288 . 1 1 28 28 THR N N 15 119.742 0.300 . 1 . . . . 28 THR N . 10099 1 289 . 1 1 29 29 LYS H H 1 8.245 0.030 . 1 . . . . 29 LYS H . 10099 1 290 . 1 1 29 29 LYS HA H 1 4.323 0.030 . 1 . . . . 29 LYS HA . 10099 1 291 . 1 1 29 29 LYS HB2 H 1 1.650 0.030 . 2 . . . . 29 LYS HB2 . 10099 1 292 . 1 1 29 29 LYS HB3 H 1 1.777 0.030 . 2 . . . . 29 LYS HB3 . 10099 1 293 . 1 1 29 29 LYS HG2 H 1 1.429 0.030 . 2 . . . . 29 LYS HG2 . 10099 1 294 . 1 1 29 29 LYS HG3 H 1 1.262 0.030 . 2 . . . . 29 LYS HG3 . 10099 1 295 . 1 1 29 29 LYS HD2 H 1 1.664 0.030 . 1 . . . . 29 LYS HD2 . 10099 1 296 . 1 1 29 29 LYS HD3 H 1 1.664 0.030 . 1 . . . . 29 LYS HD3 . 10099 1 297 . 1 1 29 29 LYS HE2 H 1 3.001 0.030 . 1 . . . . 29 LYS HE2 . 10099 1 298 . 1 1 29 29 LYS HE3 H 1 3.001 0.030 . 1 . . . . 29 LYS HE3 . 10099 1 299 . 1 1 29 29 LYS C C 13 174.380 0.300 . 1 . . . . 29 LYS C . 10099 1 300 . 1 1 29 29 LYS CA C 13 58.324 0.300 . 1 . . . . 29 LYS CA . 10099 1 301 . 1 1 29 29 LYS CB C 13 32.562 0.300 . 1 . . . . 29 LYS CB . 10099 1 302 . 1 1 29 29 LYS CG C 13 24.199 0.300 . 1 . . . . 29 LYS CG . 10099 1 303 . 1 1 29 29 LYS CD C 13 29.970 0.300 . 1 . . . . 29 LYS CD . 10099 1 304 . 1 1 29 29 LYS CE C 13 42.170 0.300 . 1 . . . . 29 LYS CE . 10099 1 305 . 1 1 29 29 LYS N N 15 116.617 0.300 . 1 . . . . 29 LYS N . 10099 1 306 . 1 1 30 30 ASN H H 1 7.587 0.030 . 1 . . . . 30 ASN H . 10099 1 307 . 1 1 30 30 ASN HA H 1 4.790 0.030 . 1 . . . . 30 ASN HA . 10099 1 308 . 1 1 30 30 ASN HB2 H 1 3.059 0.030 . 2 . . . . 30 ASN HB2 . 10099 1 309 . 1 1 30 30 ASN HB3 H 1 2.812 0.030 . 2 . . . . 30 ASN HB3 . 10099 1 310 . 1 1 30 30 ASN HD21 H 1 7.657 0.030 . 2 . . . . 30 ASN HD21 . 10099 1 311 . 1 1 30 30 ASN HD22 H 1 7.026 0.030 . 2 . . . . 30 ASN HD22 . 10099 1 312 . 1 1 30 30 ASN CA C 13 51.975 0.300 . 1 . . . . 30 ASN CA . 10099 1 313 . 1 1 30 30 ASN CB C 13 40.809 0.300 . 1 . . . . 30 ASN CB . 10099 1 314 . 1 1 30 30 ASN N N 15 109.879 0.300 . 1 . . . . 30 ASN N . 10099 1 315 . 1 1 30 30 ASN ND2 N 15 111.433 0.300 . 1 . . . . 30 ASN ND2 . 10099 1 316 . 1 1 31 31 SER H H 1 7.628 0.030 . 1 . . . . 31 SER H . 10099 1 317 . 1 1 31 31 SER HA H 1 5.548 0.030 . 1 . . . . 31 SER HA . 10099 1 318 . 1 1 31 31 SER HB2 H 1 3.739 0.030 . 2 . . . . 31 SER HB2 . 10099 1 319 . 1 1 31 31 SER HB3 H 1 3.684 0.030 . 2 . . . . 31 SER HB3 . 10099 1 320 . 1 1 31 31 SER C C 13 171.247 0.300 . 1 . . . . 31 SER C . 10099 1 321 . 1 1 31 31 SER CA C 13 57.140 0.300 . 1 . . . . 31 SER CA . 10099 1 322 . 1 1 31 31 SER CB C 13 67.678 0.300 . 1 . . . . 31 SER CB . 10099 1 323 . 1 1 31 31 SER N N 15 114.542 0.300 . 1 . . . . 31 SER N . 10099 1 324 . 1 1 32 32 VAL H H 1 8.099 0.030 . 1 . . . . 32 VAL H . 10099 1 325 . 1 1 32 32 VAL HA H 1 4.615 0.030 . 1 . . . . 32 VAL HA . 10099 1 326 . 1 1 32 32 VAL HB H 1 1.657 0.030 . 1 . . . . 32 VAL HB . 10099 1 327 . 1 1 32 32 VAL HG11 H 1 0.843 0.030 . 1 . . . . 32 VAL HG1 . 10099 1 328 . 1 1 32 32 VAL HG12 H 1 0.843 0.030 . 1 . . . . 32 VAL HG1 . 10099 1 329 . 1 1 32 32 VAL HG13 H 1 0.843 0.030 . 1 . . . . 32 VAL HG1 . 10099 1 330 . 1 1 32 32 VAL HG21 H 1 0.731 0.030 . 1 . . . . 32 VAL HG2 . 10099 1 331 . 1 1 32 32 VAL HG22 H 1 0.731 0.030 . 1 . . . . 32 VAL HG2 . 10099 1 332 . 1 1 32 32 VAL HG23 H 1 0.731 0.030 . 1 . . . . 32 VAL HG2 . 10099 1 333 . 1 1 32 32 VAL C C 13 174.113 0.300 . 1 . . . . 32 VAL C . 10099 1 334 . 1 1 32 32 VAL CA C 13 60.932 0.300 . 1 . . . . 32 VAL CA . 10099 1 335 . 1 1 32 32 VAL CB C 13 36.701 0.300 . 1 . . . . 32 VAL CB . 10099 1 336 . 1 1 32 32 VAL CG1 C 13 22.371 0.300 . 2 . . . . 32 VAL CG1 . 10099 1 337 . 1 1 32 32 VAL CG2 C 13 21.926 0.300 . 2 . . . . 32 VAL CG2 . 10099 1 338 . 1 1 32 32 VAL N N 15 115.184 0.300 . 1 . . . . 32 VAL N . 10099 1 339 . 1 1 33 33 THR H H 1 8.808 0.030 . 1 . . . . 33 THR H . 10099 1 340 . 1 1 33 33 THR HA H 1 4.974 0.030 . 1 . . . . 33 THR HA . 10099 1 341 . 1 1 33 33 THR HB H 1 3.900 0.030 . 1 . . . . 33 THR HB . 10099 1 342 . 1 1 33 33 THR HG21 H 1 0.962 0.030 . 1 . . . . 33 THR HG2 . 10099 1 343 . 1 1 33 33 THR HG22 H 1 0.962 0.030 . 1 . . . . 33 THR HG2 . 10099 1 344 . 1 1 33 33 THR HG23 H 1 0.962 0.030 . 1 . . . . 33 THR HG2 . 10099 1 345 . 1 1 33 33 THR C C 13 172.243 0.300 . 1 . . . . 33 THR C . 10099 1 346 . 1 1 33 33 THR CA C 13 62.555 0.300 . 1 . . . . 33 THR CA . 10099 1 347 . 1 1 33 33 THR CB C 13 69.626 0.300 . 1 . . . . 33 THR CB . 10099 1 348 . 1 1 33 33 THR CG2 C 13 21.974 0.300 . 1 . . . . 33 THR CG2 . 10099 1 349 . 1 1 33 33 THR N N 15 122.825 0.300 . 1 . . . . 33 THR N . 10099 1 350 . 1 1 34 34 LEU H H 1 8.970 0.030 . 1 . . . . 34 LEU H . 10099 1 351 . 1 1 34 34 LEU HA H 1 5.538 0.030 . 1 . . . . 34 LEU HA . 10099 1 352 . 1 1 34 34 LEU HB2 H 1 1.954 0.030 . 2 . . . . 34 LEU HB2 . 10099 1 353 . 1 1 34 34 LEU HB3 H 1 1.479 0.030 . 2 . . . . 34 LEU HB3 . 10099 1 354 . 1 1 34 34 LEU HG H 1 1.376 0.030 . 1 . . . . 34 LEU HG . 10099 1 355 . 1 1 34 34 LEU HD11 H 1 0.347 0.030 . 1 . . . . 34 LEU HD1 . 10099 1 356 . 1 1 34 34 LEU HD12 H 1 0.347 0.030 . 1 . . . . 34 LEU HD1 . 10099 1 357 . 1 1 34 34 LEU HD13 H 1 0.347 0.030 . 1 . . . . 34 LEU HD1 . 10099 1 358 . 1 1 34 34 LEU HD21 H 1 0.510 0.030 . 1 . . . . 34 LEU HD2 . 10099 1 359 . 1 1 34 34 LEU HD22 H 1 0.510 0.030 . 1 . . . . 34 LEU HD2 . 10099 1 360 . 1 1 34 34 LEU HD23 H 1 0.510 0.030 . 1 . . . . 34 LEU HD2 . 10099 1 361 . 1 1 34 34 LEU C C 13 175.206 0.300 . 1 . . . . 34 LEU C . 10099 1 362 . 1 1 34 34 LEU CA C 13 52.822 0.300 . 1 . . . . 34 LEU CA . 10099 1 363 . 1 1 34 34 LEU CB C 13 47.149 0.300 . 1 . . . . 34 LEU CB . 10099 1 364 . 1 1 34 34 LEU CG C 13 26.970 0.300 . 1 . . . . 34 LEU CG . 10099 1 365 . 1 1 34 34 LEU CD1 C 13 26.027 0.300 . 2 . . . . 34 LEU CD1 . 10099 1 366 . 1 1 34 34 LEU CD2 C 13 24.363 0.300 . 2 . . . . 34 LEU CD2 . 10099 1 367 . 1 1 34 34 LEU N N 15 127.193 0.300 . 1 . . . . 34 LEU N . 10099 1 368 . 1 1 35 35 SER H H 1 8.730 0.030 . 1 . . . . 35 SER H . 10099 1 369 . 1 1 35 35 SER HA H 1 5.256 0.030 . 1 . . . . 35 SER HA . 10099 1 370 . 1 1 35 35 SER HB2 H 1 3.676 0.030 . 2 . . . . 35 SER HB2 . 10099 1 371 . 1 1 35 35 SER HB3 H 1 3.544 0.030 . 2 . . . . 35 SER HB3 . 10099 1 372 . 1 1 35 35 SER C C 13 173.773 0.300 . 1 . . . . 35 SER C . 10099 1 373 . 1 1 35 35 SER CA C 13 55.855 0.300 . 1 . . . . 35 SER CA . 10099 1 374 . 1 1 35 35 SER CB C 13 66.068 0.300 . 1 . . . . 35 SER CB . 10099 1 375 . 1 1 35 35 SER N N 15 112.505 0.300 . 1 . . . . 35 SER N . 10099 1 376 . 1 1 36 36 TRP H H 1 8.050 0.030 . 1 . . . . 36 TRP H . 10099 1 377 . 1 1 36 36 TRP HA H 1 4.970 0.030 . 1 . . . . 36 TRP HA . 10099 1 378 . 1 1 36 36 TRP HB2 H 1 3.146 0.030 . 2 . . . . 36 TRP HB2 . 10099 1 379 . 1 1 36 36 TRP HB3 H 1 3.032 0.030 . 2 . . . . 36 TRP HB3 . 10099 1 380 . 1 1 36 36 TRP HD1 H 1 6.354 0.030 . 1 . . . . 36 TRP HD1 . 10099 1 381 . 1 1 36 36 TRP HE1 H 1 5.642 0.030 . 1 . . . . 36 TRP HE1 . 10099 1 382 . 1 1 36 36 TRP HE3 H 1 6.832 0.030 . 1 . . . . 36 TRP HE3 . 10099 1 383 . 1 1 36 36 TRP HZ2 H 1 6.890 0.030 . 1 . . . . 36 TRP HZ2 . 10099 1 384 . 1 1 36 36 TRP HH2 H 1 6.667 0.030 . 1 . . . . 36 TRP HH2 . 10099 1 385 . 1 1 36 36 TRP C C 13 172.632 0.300 . 1 . . . . 36 TRP C . 10099 1 386 . 1 1 36 36 TRP CA C 13 56.717 0.300 . 1 . . . . 36 TRP CA . 10099 1 387 . 1 1 36 36 TRP CB C 13 30.501 0.300 . 1 . . . . 36 TRP CB . 10099 1 388 . 1 1 36 36 TRP CD1 C 13 124.408 0.300 . 1 . . . . 36 TRP CD1 . 10099 1 389 . 1 1 36 36 TRP CE3 C 13 119.895 0.300 . 1 . . . . 36 TRP CE3 . 10099 1 390 . 1 1 36 36 TRP CZ2 C 13 115.215 0.300 . 1 . . . . 36 TRP CZ2 . 10099 1 391 . 1 1 36 36 TRP CZ3 C 13 121.377 0.300 . 1 . . . . 36 TRP CZ3 . 10099 1 392 . 1 1 36 36 TRP CH2 C 13 123.783 0.300 . 1 . . . . 36 TRP CH2 . 10099 1 393 . 1 1 36 36 TRP N N 15 123.941 0.300 . 1 . . . . 36 TRP N . 10099 1 394 . 1 1 36 36 TRP NE1 N 15 122.836 0.300 . 1 . . . . 36 TRP NE1 . 10099 1 395 . 1 1 37 37 GLN H H 1 8.451 0.030 . 1 . . . . 37 GLN H . 10099 1 396 . 1 1 37 37 GLN HA H 1 4.900 0.030 . 1 . . . . 37 GLN HA . 10099 1 397 . 1 1 37 37 GLN HB2 H 1 2.188 0.030 . 2 . . . . 37 GLN HB2 . 10099 1 398 . 1 1 37 37 GLN HB3 H 1 1.913 0.030 . 2 . . . . 37 GLN HB3 . 10099 1 399 . 1 1 37 37 GLN HG2 H 1 2.342 0.030 . 1 . . . . 37 GLN HG2 . 10099 1 400 . 1 1 37 37 GLN HG3 H 1 2.342 0.030 . 1 . . . . 37 GLN HG3 . 10099 1 401 . 1 1 37 37 GLN HE21 H 1 7.456 0.030 . 2 . . . . 37 GLN HE21 . 10099 1 402 . 1 1 37 37 GLN HE22 H 1 6.800 0.030 . 2 . . . . 37 GLN HE22 . 10099 1 403 . 1 1 37 37 GLN C C 13 174.016 0.300 . 1 . . . . 37 GLN C . 10099 1 404 . 1 1 37 37 GLN CA C 13 52.046 0.300 . 1 . . . . 37 GLN CA . 10099 1 405 . 1 1 37 37 GLN CB C 13 29.775 0.300 . 1 . . . . 37 GLN CB . 10099 1 406 . 1 1 37 37 GLN CG C 13 33.275 0.300 . 1 . . . . 37 GLN CG . 10099 1 407 . 1 1 37 37 GLN N N 15 116.571 0.300 . 1 . . . . 37 GLN N . 10099 1 408 . 1 1 37 37 GLN NE2 N 15 112.726 0.300 . 1 . . . . 37 GLN NE2 . 10099 1 409 . 1 1 38 38 PRO HA H 1 4.541 0.030 . 1 . . . . 38 PRO HA . 10099 1 410 . 1 1 38 38 PRO HB2 H 1 2.630 0.030 . 2 . . . . 38 PRO HB2 . 10099 1 411 . 1 1 38 38 PRO HB3 H 1 2.084 0.030 . 2 . . . . 38 PRO HB3 . 10099 1 412 . 1 1 38 38 PRO HG2 H 1 2.154 0.030 . 2 . . . . 38 PRO HG2 . 10099 1 413 . 1 1 38 38 PRO HG3 H 1 2.034 0.030 . 2 . . . . 38 PRO HG3 . 10099 1 414 . 1 1 38 38 PRO HD2 H 1 3.747 0.030 . 1 . . . . 38 PRO HD2 . 10099 1 415 . 1 1 38 38 PRO HD3 H 1 3.747 0.030 . 1 . . . . 38 PRO HD3 . 10099 1 416 . 1 1 38 38 PRO CA C 13 63.025 0.300 . 1 . . . . 38 PRO CA . 10099 1 417 . 1 1 38 38 PRO CB C 13 32.937 0.300 . 1 . . . . 38 PRO CB . 10099 1 418 . 1 1 38 38 PRO CG C 13 27.859 0.300 . 1 . . . . 38 PRO CG . 10099 1 419 . 1 1 38 38 PRO CD C 13 50.927 0.300 . 1 . . . . 38 PRO CD . 10099 1 420 . 1 1 39 39 GLY H H 1 8.894 0.030 . 1 . . . . 39 GLY H . 10099 1 421 . 1 1 39 39 GLY HA2 H 1 4.134 0.030 . 2 . . . . 39 GLY HA2 . 10099 1 422 . 1 1 39 39 GLY HA3 H 1 3.627 0.030 . 2 . . . . 39 GLY HA3 . 10099 1 423 . 1 1 39 39 GLY C C 13 174.235 0.300 . 1 . . . . 39 GLY C . 10099 1 424 . 1 1 39 39 GLY CA C 13 44.251 0.300 . 1 . . . . 39 GLY CA . 10099 1 425 . 1 1 39 39 GLY N N 15 109.469 0.300 . 1 . . . . 39 GLY N . 10099 1 426 . 1 1 40 40 THR H H 1 8.438 0.030 . 1 . . . . 40 THR H . 10099 1 427 . 1 1 40 40 THR HA H 1 4.363 0.030 . 1 . . . . 40 THR HA . 10099 1 428 . 1 1 40 40 THR HB H 1 4.166 0.030 . 1 . . . . 40 THR HB . 10099 1 429 . 1 1 40 40 THR HG21 H 1 1.324 0.030 . 1 . . . . 40 THR HG2 . 10099 1 430 . 1 1 40 40 THR HG22 H 1 1.324 0.030 . 1 . . . . 40 THR HG2 . 10099 1 431 . 1 1 40 40 THR HG23 H 1 1.324 0.030 . 1 . . . . 40 THR HG2 . 10099 1 432 . 1 1 40 40 THR C C 13 173.627 0.300 . 1 . . . . 40 THR C . 10099 1 433 . 1 1 40 40 THR CA C 13 60.669 0.300 . 1 . . . . 40 THR CA . 10099 1 434 . 1 1 40 40 THR CB C 13 68.997 0.300 . 1 . . . . 40 THR CB . 10099 1 435 . 1 1 40 40 THR CG2 C 13 21.989 0.300 . 1 . . . . 40 THR CG2 . 10099 1 436 . 1 1 40 40 THR N N 15 115.810 0.300 . 1 . . . . 40 THR N . 10099 1 437 . 1 1 41 41 PRO HA H 1 4.472 0.030 . 1 . . . . 41 PRO HA . 10099 1 438 . 1 1 41 41 PRO HB2 H 1 2.304 0.030 . 2 . . . . 41 PRO HB2 . 10099 1 439 . 1 1 41 41 PRO HB3 H 1 1.984 0.030 . 2 . . . . 41 PRO HB3 . 10099 1 440 . 1 1 41 41 PRO HG2 H 1 2.114 0.030 . 2 . . . . 41 PRO HG2 . 10099 1 441 . 1 1 41 41 PRO HG3 H 1 2.054 0.030 . 2 . . . . 41 PRO HG3 . 10099 1 442 . 1 1 41 41 PRO HD2 H 1 3.904 0.030 . 2 . . . . 41 PRO HD2 . 10099 1 443 . 1 1 41 41 PRO HD3 H 1 3.734 0.030 . 2 . . . . 41 PRO HD3 . 10099 1 444 . 1 1 41 41 PRO CA C 13 63.951 0.300 . 1 . . . . 41 PRO CA . 10099 1 445 . 1 1 41 41 PRO CB C 13 32.278 0.300 . 1 . . . . 41 PRO CB . 10099 1 446 . 1 1 41 41 PRO CG C 13 27.589 0.300 . 1 . . . . 41 PRO CG . 10099 1 447 . 1 1 41 41 PRO CD C 13 50.973 0.300 . 1 . . . . 41 PRO CD . 10099 1 448 . 1 1 42 42 GLY H H 1 8.431 0.030 . 1 . . . . 42 GLY H . 10099 1 449 . 1 1 42 42 GLY HA2 H 1 4.128 0.030 . 2 . . . . 42 GLY HA2 . 10099 1 450 . 1 1 42 42 GLY HA3 H 1 3.583 0.030 . 2 . . . . 42 GLY HA3 . 10099 1 451 . 1 1 42 42 GLY C C 13 174.380 0.300 . 1 . . . . 42 GLY C . 10099 1 452 . 1 1 42 42 GLY CA C 13 44.234 0.300 . 1 . . . . 42 GLY CA . 10099 1 453 . 1 1 42 42 GLY N N 15 109.681 0.300 . 1 . . . . 42 GLY N . 10099 1 454 . 1 1 43 43 THR H H 1 8.327 0.030 . 1 . . . . 43 THR H . 10099 1 455 . 1 1 43 43 THR HA H 1 4.033 0.030 . 1 . . . . 43 THR HA . 10099 1 456 . 1 1 43 43 THR HB H 1 4.157 0.030 . 1 . . . . 43 THR HB . 10099 1 457 . 1 1 43 43 THR HG21 H 1 1.229 0.030 . 1 . . . . 43 THR HG2 . 10099 1 458 . 1 1 43 43 THR HG22 H 1 1.229 0.030 . 1 . . . . 43 THR HG2 . 10099 1 459 . 1 1 43 43 THR HG23 H 1 1.229 0.030 . 1 . . . . 43 THR HG2 . 10099 1 460 . 1 1 43 43 THR CA C 13 64.703 0.300 . 1 . . . . 43 THR CA . 10099 1 461 . 1 1 43 43 THR CB C 13 69.133 0.300 . 1 . . . . 43 THR CB . 10099 1 462 . 1 1 43 43 THR CG2 C 13 22.502 0.300 . 1 . . . . 43 THR CG2 . 10099 1 463 . 1 1 43 43 THR N N 15 116.333 0.300 . 1 . . . . 43 THR N . 10099 1 464 . 1 1 44 44 LEU H H 1 7.894 0.030 . 1 . . . . 44 LEU H . 10099 1 465 . 1 1 44 44 LEU HA H 1 4.791 0.030 . 1 . . . . 44 LEU HA . 10099 1 466 . 1 1 44 44 LEU HB2 H 1 1.560 0.030 . 2 . . . . 44 LEU HB2 . 10099 1 467 . 1 1 44 44 LEU HB3 H 1 1.463 0.030 . 2 . . . . 44 LEU HB3 . 10099 1 468 . 1 1 44 44 LEU HG H 1 1.573 0.030 . 1 . . . . 44 LEU HG . 10099 1 469 . 1 1 44 44 LEU HD11 H 1 0.914 0.030 . 1 . . . . 44 LEU HD1 . 10099 1 470 . 1 1 44 44 LEU HD12 H 1 0.914 0.030 . 1 . . . . 44 LEU HD1 . 10099 1 471 . 1 1 44 44 LEU HD13 H 1 0.914 0.030 . 1 . . . . 44 LEU HD1 . 10099 1 472 . 1 1 44 44 LEU HD21 H 1 0.873 0.030 . 1 . . . . 44 LEU HD2 . 10099 1 473 . 1 1 44 44 LEU HD22 H 1 0.873 0.030 . 1 . . . . 44 LEU HD2 . 10099 1 474 . 1 1 44 44 LEU HD23 H 1 0.873 0.030 . 1 . . . . 44 LEU HD2 . 10099 1 475 . 1 1 44 44 LEU CA C 13 51.905 0.300 . 1 . . . . 44 LEU CA . 10099 1 476 . 1 1 44 44 LEU CB C 13 42.531 0.300 . 1 . . . . 44 LEU CB . 10099 1 477 . 1 1 44 44 LEU CG C 13 27.115 0.300 . 1 . . . . 44 LEU CG . 10099 1 478 . 1 1 44 44 LEU CD1 C 13 23.179 0.300 . 2 . . . . 44 LEU CD1 . 10099 1 479 . 1 1 44 44 LEU CD2 C 13 25.473 0.300 . 2 . . . . 44 LEU CD2 . 10099 1 480 . 1 1 44 44 LEU N N 15 121.075 0.300 . 1 . . . . 44 LEU N . 10099 1 481 . 1 1 45 45 PRO HA H 1 4.396 0.030 . 1 . . . . 45 PRO HA . 10099 1 482 . 1 1 45 45 PRO HB2 H 1 2.346 0.030 . 2 . . . . 45 PRO HB2 . 10099 1 483 . 1 1 45 45 PRO HB3 H 1 1.905 0.030 . 2 . . . . 45 PRO HB3 . 10099 1 484 . 1 1 45 45 PRO HG2 H 1 2.024 0.030 . 1 . . . . 45 PRO HG2 . 10099 1 485 . 1 1 45 45 PRO HG3 H 1 2.024 0.030 . 1 . . . . 45 PRO HG3 . 10099 1 486 . 1 1 45 45 PRO HD2 H 1 3.837 0.030 . 2 . . . . 45 PRO HD2 . 10099 1 487 . 1 1 45 45 PRO HD3 H 1 3.623 0.030 . 2 . . . . 45 PRO HD3 . 10099 1 488 . 1 1 45 45 PRO CA C 13 62.777 0.300 . 1 . . . . 45 PRO CA . 10099 1 489 . 1 1 45 45 PRO CB C 13 32.607 0.300 . 1 . . . . 45 PRO CB . 10099 1 490 . 1 1 45 45 PRO CG C 13 27.269 0.300 . 1 . . . . 45 PRO CG . 10099 1 491 . 1 1 45 45 PRO CD C 13 50.742 0.300 . 1 . . . . 45 PRO CD . 10099 1 492 . 1 1 46 46 ALA H H 1 8.504 0.030 . 1 . . . . 46 ALA H . 10099 1 493 . 1 1 46 46 ALA HA H 1 4.298 0.030 . 1 . . . . 46 ALA HA . 10099 1 494 . 1 1 46 46 ALA HB1 H 1 1.273 0.030 . 1 . . . . 46 ALA HB . 10099 1 495 . 1 1 46 46 ALA HB2 H 1 1.273 0.030 . 1 . . . . 46 ALA HB . 10099 1 496 . 1 1 46 46 ALA HB3 H 1 1.273 0.030 . 1 . . . . 46 ALA HB . 10099 1 497 . 1 1 46 46 ALA C C 13 177.757 0.300 . 1 . . . . 46 ALA C . 10099 1 498 . 1 1 46 46 ALA CA C 13 52.635 0.300 . 1 . . . . 46 ALA CA . 10099 1 499 . 1 1 46 46 ALA CB C 13 18.961 0.300 . 1 . . . . 46 ALA CB . 10099 1 500 . 1 1 46 46 ALA N N 15 123.212 0.300 . 1 . . . . 46 ALA N . 10099 1 501 . 1 1 47 47 SER H H 1 9.080 0.030 . 1 . . . . 47 SER H . 10099 1 502 . 1 1 47 47 SER HA H 1 4.499 0.030 . 1 . . . . 47 SER HA . 10099 1 503 . 1 1 47 47 SER HB2 H 1 3.825 0.030 . 1 . . . . 47 SER HB2 . 10099 1 504 . 1 1 47 47 SER HB3 H 1 3.825 0.030 . 1 . . . . 47 SER HB3 . 10099 1 505 . 1 1 47 47 SER CA C 13 58.929 0.300 . 1 . . . . 47 SER CA . 10099 1 506 . 1 1 47 47 SER CB C 13 64.298 0.300 . 1 . . . . 47 SER CB . 10099 1 507 . 1 1 47 47 SER N N 15 117.021 0.300 . 1 . . . . 47 SER N . 10099 1 508 . 1 1 48 48 ALA H H 1 7.717 0.030 . 1 . . . . 48 ALA H . 10099 1 509 . 1 1 48 48 ALA HA H 1 4.602 0.030 . 1 . . . . 48 ALA HA . 10099 1 510 . 1 1 48 48 ALA HB1 H 1 1.095 0.030 . 1 . . . . 48 ALA HB . 10099 1 511 . 1 1 48 48 ALA HB2 H 1 1.095 0.030 . 1 . . . . 48 ALA HB . 10099 1 512 . 1 1 48 48 ALA HB3 H 1 1.095 0.030 . 1 . . . . 48 ALA HB . 10099 1 513 . 1 1 48 48 ALA CA C 13 51.121 0.300 . 1 . . . . 48 ALA CA . 10099 1 514 . 1 1 48 48 ALA CB C 13 21.707 0.300 . 1 . . . . 48 ALA CB . 10099 1 515 . 1 1 48 48 ALA N N 15 121.593 0.300 . 1 . . . . 48 ALA N . 10099 1 516 . 1 1 49 49 TYR H H 1 9.102 0.030 . 1 . . . . 49 TYR H . 10099 1 517 . 1 1 49 49 TYR HA H 1 5.427 0.030 . 1 . . . . 49 TYR HA . 10099 1 518 . 1 1 49 49 TYR HB2 H 1 2.815 0.030 . 2 . . . . 49 TYR HB2 . 10099 1 519 . 1 1 49 49 TYR HB3 H 1 2.556 0.030 . 2 . . . . 49 TYR HB3 . 10099 1 520 . 1 1 49 49 TYR HD1 H 1 7.121 0.030 . 1 . . . . 49 TYR HD1 . 10099 1 521 . 1 1 49 49 TYR HD2 H 1 7.121 0.030 . 1 . . . . 49 TYR HD2 . 10099 1 522 . 1 1 49 49 TYR HE1 H 1 6.749 0.030 . 1 . . . . 49 TYR HE1 . 10099 1 523 . 1 1 49 49 TYR HE2 H 1 6.749 0.030 . 1 . . . . 49 TYR HE2 . 10099 1 524 . 1 1 49 49 TYR CA C 13 57.054 0.300 . 1 . . . . 49 TYR CA . 10099 1 525 . 1 1 49 49 TYR CB C 13 42.415 0.300 . 1 . . . . 49 TYR CB . 10099 1 526 . 1 1 49 49 TYR CD1 C 13 134.555 0.300 . 1 . . . . 49 TYR CD1 . 10099 1 527 . 1 1 49 49 TYR CD2 C 13 134.555 0.300 . 1 . . . . 49 TYR CD2 . 10099 1 528 . 1 1 49 49 TYR CE1 C 13 117.166 0.300 . 1 . . . . 49 TYR CE1 . 10099 1 529 . 1 1 49 49 TYR CE2 C 13 117.166 0.300 . 1 . . . . 49 TYR CE2 . 10099 1 530 . 1 1 49 49 TYR N N 15 115.379 0.300 . 1 . . . . 49 TYR N . 10099 1 531 . 1 1 50 50 ILE H H 1 8.877 0.030 . 1 . . . . 50 ILE H . 10099 1 532 . 1 1 50 50 ILE HA H 1 4.660 0.030 . 1 . . . . 50 ILE HA . 10099 1 533 . 1 1 50 50 ILE HB H 1 1.598 0.030 . 1 . . . . 50 ILE HB . 10099 1 534 . 1 1 50 50 ILE HG12 H 1 1.001 0.030 . 2 . . . . 50 ILE HG12 . 10099 1 535 . 1 1 50 50 ILE HG13 H 1 1.501 0.030 . 2 . . . . 50 ILE HG13 . 10099 1 536 . 1 1 50 50 ILE HG21 H 1 0.921 0.030 . 1 . . . . 50 ILE HG2 . 10099 1 537 . 1 1 50 50 ILE HG22 H 1 0.921 0.030 . 1 . . . . 50 ILE HG2 . 10099 1 538 . 1 1 50 50 ILE HG23 H 1 0.921 0.030 . 1 . . . . 50 ILE HG2 . 10099 1 539 . 1 1 50 50 ILE HD11 H 1 0.787 0.030 . 1 . . . . 50 ILE HD1 . 10099 1 540 . 1 1 50 50 ILE HD12 H 1 0.787 0.030 . 1 . . . . 50 ILE HD1 . 10099 1 541 . 1 1 50 50 ILE HD13 H 1 0.787 0.030 . 1 . . . . 50 ILE HD1 . 10099 1 542 . 1 1 50 50 ILE C C 13 174.405 0.300 . 1 . . . . 50 ILE C . 10099 1 543 . 1 1 50 50 ILE CA C 13 59.418 0.300 . 1 . . . . 50 ILE CA . 10099 1 544 . 1 1 50 50 ILE CB C 13 41.959 0.300 . 1 . . . . 50 ILE CB . 10099 1 545 . 1 1 50 50 ILE CG1 C 13 28.415 0.300 . 1 . . . . 50 ILE CG1 . 10099 1 546 . 1 1 50 50 ILE CG2 C 13 18.001 0.300 . 1 . . . . 50 ILE CG2 . 10099 1 547 . 1 1 50 50 ILE CD1 C 13 14.609 0.300 . 1 . . . . 50 ILE CD1 . 10099 1 548 . 1 1 50 50 ILE N N 15 118.474 0.300 . 1 . . . . 50 ILE N . 10099 1 549 . 1 1 51 51 ILE H H 1 8.495 0.030 . 1 . . . . 51 ILE H . 10099 1 550 . 1 1 51 51 ILE HA H 1 4.695 0.030 . 1 . . . . 51 ILE HA . 10099 1 551 . 1 1 51 51 ILE HB H 1 1.585 0.030 . 1 . . . . 51 ILE HB . 10099 1 552 . 1 1 51 51 ILE HG12 H 1 0.528 0.030 . 2 . . . . 51 ILE HG12 . 10099 1 553 . 1 1 51 51 ILE HG13 H 1 1.225 0.030 . 2 . . . . 51 ILE HG13 . 10099 1 554 . 1 1 51 51 ILE HG21 H 1 0.841 0.030 . 1 . . . . 51 ILE HG2 . 10099 1 555 . 1 1 51 51 ILE HG22 H 1 0.841 0.030 . 1 . . . . 51 ILE HG2 . 10099 1 556 . 1 1 51 51 ILE HG23 H 1 0.841 0.030 . 1 . . . . 51 ILE HG2 . 10099 1 557 . 1 1 51 51 ILE HD11 H 1 0.629 0.030 . 1 . . . . 51 ILE HD1 . 10099 1 558 . 1 1 51 51 ILE HD12 H 1 0.629 0.030 . 1 . . . . 51 ILE HD1 . 10099 1 559 . 1 1 51 51 ILE HD13 H 1 0.629 0.030 . 1 . . . . 51 ILE HD1 . 10099 1 560 . 1 1 51 51 ILE C C 13 175.061 0.300 . 1 . . . . 51 ILE C . 10099 1 561 . 1 1 51 51 ILE CA C 13 60.229 0.300 . 1 . . . . 51 ILE CA . 10099 1 562 . 1 1 51 51 ILE CB C 13 39.981 0.300 . 1 . . . . 51 ILE CB . 10099 1 563 . 1 1 51 51 ILE CG1 C 13 26.647 0.300 . 1 . . . . 51 ILE CG1 . 10099 1 564 . 1 1 51 51 ILE CG2 C 13 17.882 0.300 . 1 . . . . 51 ILE CG2 . 10099 1 565 . 1 1 51 51 ILE CD1 C 13 14.903 0.300 . 1 . . . . 51 ILE CD1 . 10099 1 566 . 1 1 51 51 ILE N N 15 123.059 0.300 . 1 . . . . 51 ILE N . 10099 1 567 . 1 1 52 52 GLU H H 1 9.270 0.030 . 1 . . . . 52 GLU H . 10099 1 568 . 1 1 52 52 GLU HA H 1 5.596 0.030 . 1 . . . . 52 GLU HA . 10099 1 569 . 1 1 52 52 GLU HB2 H 1 2.350 0.030 . 2 . . . . 52 GLU HB2 . 10099 1 570 . 1 1 52 52 GLU HB3 H 1 1.908 0.030 . 2 . . . . 52 GLU HB3 . 10099 1 571 . 1 1 52 52 GLU HG2 H 1 2.058 0.030 . 1 . . . . 52 GLU HG2 . 10099 1 572 . 1 1 52 52 GLU HG3 H 1 2.058 0.030 . 1 . . . . 52 GLU HG3 . 10099 1 573 . 1 1 52 52 GLU C C 13 174.794 0.300 . 1 . . . . 52 GLU C . 10099 1 574 . 1 1 52 52 GLU CA C 13 54.562 0.300 . 1 . . . . 52 GLU CA . 10099 1 575 . 1 1 52 52 GLU CB C 13 34.458 0.300 . 1 . . . . 52 GLU CB . 10099 1 576 . 1 1 52 52 GLU CG C 13 36.894 0.300 . 1 . . . . 52 GLU CG . 10099 1 577 . 1 1 52 52 GLU N N 15 127.453 0.300 . 1 . . . . 52 GLU N . 10099 1 578 . 1 1 53 53 ALA H H 1 9.825 0.030 . 1 . . . . 53 ALA H . 10099 1 579 . 1 1 53 53 ALA HA H 1 5.809 0.030 . 1 . . . . 53 ALA HA . 10099 1 580 . 1 1 53 53 ALA HB1 H 1 1.324 0.030 . 1 . . . . 53 ALA HB . 10099 1 581 . 1 1 53 53 ALA HB2 H 1 1.324 0.030 . 1 . . . . 53 ALA HB . 10099 1 582 . 1 1 53 53 ALA HB3 H 1 1.324 0.030 . 1 . . . . 53 ALA HB . 10099 1 583 . 1 1 53 53 ALA C C 13 176.227 0.300 . 1 . . . . 53 ALA C . 10099 1 584 . 1 1 53 53 ALA CA C 13 50.318 0.300 . 1 . . . . 53 ALA CA . 10099 1 585 . 1 1 53 53 ALA CB C 13 25.960 0.300 . 1 . . . . 53 ALA CB . 10099 1 586 . 1 1 53 53 ALA N N 15 122.558 0.300 . 1 . . . . 53 ALA N . 10099 1 587 . 1 1 54 54 PHE H H 1 8.803 0.030 . 1 . . . . 54 PHE H . 10099 1 588 . 1 1 54 54 PHE HA H 1 4.194 0.030 . 1 . . . . 54 PHE HA . 10099 1 589 . 1 1 54 54 PHE HB2 H 1 1.394 0.030 . 2 . . . . 54 PHE HB2 . 10099 1 590 . 1 1 54 54 PHE HB3 H 1 0.088 0.030 . 2 . . . . 54 PHE HB3 . 10099 1 591 . 1 1 54 54 PHE HD1 H 1 6.000 0.030 . 1 . . . . 54 PHE HD1 . 10099 1 592 . 1 1 54 54 PHE HD2 H 1 6.000 0.030 . 1 . . . . 54 PHE HD2 . 10099 1 593 . 1 1 54 54 PHE HE1 H 1 6.928 0.030 . 1 . . . . 54 PHE HE1 . 10099 1 594 . 1 1 54 54 PHE HE2 H 1 6.928 0.030 . 1 . . . . 54 PHE HE2 . 10099 1 595 . 1 1 54 54 PHE HZ H 1 7.086 0.030 . 1 . . . . 54 PHE HZ . 10099 1 596 . 1 1 54 54 PHE C C 13 174.210 0.300 . 1 . . . . 54 PHE C . 10099 1 597 . 1 1 54 54 PHE CA C 13 55.944 0.300 . 1 . . . . 54 PHE CA . 10099 1 598 . 1 1 54 54 PHE CB C 13 41.027 0.300 . 1 . . . . 54 PHE CB . 10099 1 599 . 1 1 54 54 PHE CD1 C 13 130.684 0.300 . 1 . . . . 54 PHE CD1 . 10099 1 600 . 1 1 54 54 PHE CD2 C 13 130.684 0.300 . 1 . . . . 54 PHE CD2 . 10099 1 601 . 1 1 54 54 PHE CE1 C 13 130.618 0.300 . 1 . . . . 54 PHE CE1 . 10099 1 602 . 1 1 54 54 PHE CE2 C 13 130.618 0.300 . 1 . . . . 54 PHE CE2 . 10099 1 603 . 1 1 54 54 PHE CZ C 13 129.365 0.300 . 1 . . . . 54 PHE CZ . 10099 1 604 . 1 1 54 54 PHE N N 15 124.325 0.300 . 1 . . . . 54 PHE N . 10099 1 605 . 1 1 55 55 SER H H 1 7.733 0.030 . 1 . . . . 55 SER H . 10099 1 606 . 1 1 55 55 SER HA H 1 4.144 0.030 . 1 . . . . 55 SER HA . 10099 1 607 . 1 1 55 55 SER HB2 H 1 3.150 0.030 . 2 . . . . 55 SER HB2 . 10099 1 608 . 1 1 55 55 SER HB3 H 1 2.796 0.030 . 2 . . . . 55 SER HB3 . 10099 1 609 . 1 1 55 55 SER C C 13 175.328 0.300 . 1 . . . . 55 SER C . 10099 1 610 . 1 1 55 55 SER CA C 13 56.826 0.300 . 1 . . . . 55 SER CA . 10099 1 611 . 1 1 55 55 SER CB C 13 64.586 0.300 . 1 . . . . 55 SER CB . 10099 1 612 . 1 1 55 55 SER N N 15 119.209 0.300 . 1 . . . . 55 SER N . 10099 1 613 . 1 1 56 56 GLN H H 1 8.941 0.030 . 1 . . . . 56 GLN H . 10099 1 614 . 1 1 56 56 GLN HA H 1 3.837 0.030 . 1 . . . . 56 GLN HA . 10099 1 615 . 1 1 56 56 GLN HB2 H 1 2.013 0.030 . 1 . . . . 56 GLN HB2 . 10099 1 616 . 1 1 56 56 GLN HB3 H 1 2.013 0.030 . 1 . . . . 56 GLN HB3 . 10099 1 617 . 1 1 56 56 GLN HG2 H 1 2.378 0.030 . 1 . . . . 56 GLN HG2 . 10099 1 618 . 1 1 56 56 GLN HG3 H 1 2.378 0.030 . 1 . . . . 56 GLN HG3 . 10099 1 619 . 1 1 56 56 GLN HE21 H 1 7.505 0.030 . 2 . . . . 56 GLN HE21 . 10099 1 620 . 1 1 56 56 GLN HE22 H 1 6.881 0.030 . 2 . . . . 56 GLN HE22 . 10099 1 621 . 1 1 56 56 GLN C C 13 176.299 0.300 . 1 . . . . 56 GLN C . 10099 1 622 . 1 1 56 56 GLN CA C 13 57.965 0.300 . 1 . . . . 56 GLN CA . 10099 1 623 . 1 1 56 56 GLN CB C 13 28.688 0.300 . 1 . . . . 56 GLN CB . 10099 1 624 . 1 1 56 56 GLN CG C 13 33.926 0.300 . 1 . . . . 56 GLN CG . 10099 1 625 . 1 1 56 56 GLN N N 15 130.147 0.300 . 1 . . . . 56 GLN N . 10099 1 626 . 1 1 56 56 GLN NE2 N 15 111.951 0.300 . 1 . . . . 56 GLN NE2 . 10099 1 627 . 1 1 57 57 SER H H 1 7.754 0.030 . 1 . . . . 57 SER H . 10099 1 628 . 1 1 57 57 SER HA H 1 4.199 0.030 . 1 . . . . 57 SER HA . 10099 1 629 . 1 1 57 57 SER HB2 H 1 3.768 0.030 . 1 . . . . 57 SER HB2 . 10099 1 630 . 1 1 57 57 SER HB3 H 1 3.768 0.030 . 1 . . . . 57 SER HB3 . 10099 1 631 . 1 1 57 57 SER C C 13 173.968 0.300 . 1 . . . . 57 SER C . 10099 1 632 . 1 1 57 57 SER CA C 13 59.765 0.300 . 1 . . . . 57 SER CA . 10099 1 633 . 1 1 57 57 SER CB C 13 63.144 0.300 . 1 . . . . 57 SER CB . 10099 1 634 . 1 1 57 57 SER N N 15 111.529 0.300 . 1 . . . . 57 SER N . 10099 1 635 . 1 1 58 58 VAL H H 1 7.275 0.030 . 1 . . . . 58 VAL H . 10099 1 636 . 1 1 58 58 VAL HA H 1 3.914 0.030 . 1 . . . . 58 VAL HA . 10099 1 637 . 1 1 58 58 VAL HB H 1 1.883 0.030 . 1 . . . . 58 VAL HB . 10099 1 638 . 1 1 58 58 VAL HG11 H 1 0.756 0.030 . 1 . . . . 58 VAL HG1 . 10099 1 639 . 1 1 58 58 VAL HG12 H 1 0.756 0.030 . 1 . . . . 58 VAL HG1 . 10099 1 640 . 1 1 58 58 VAL HG13 H 1 0.756 0.030 . 1 . . . . 58 VAL HG1 . 10099 1 641 . 1 1 58 58 VAL HG21 H 1 0.902 0.030 . 1 . . . . 58 VAL HG2 . 10099 1 642 . 1 1 58 58 VAL HG22 H 1 0.902 0.030 . 1 . . . . 58 VAL HG2 . 10099 1 643 . 1 1 58 58 VAL HG23 H 1 0.902 0.030 . 1 . . . . 58 VAL HG2 . 10099 1 644 . 1 1 58 58 VAL C C 13 175.595 0.300 . 1 . . . . 58 VAL C . 10099 1 645 . 1 1 58 58 VAL CA C 13 63.862 0.300 . 1 . . . . 58 VAL CA . 10099 1 646 . 1 1 58 58 VAL CB C 13 32.978 0.300 . 1 . . . . 58 VAL CB . 10099 1 647 . 1 1 58 58 VAL CG1 C 13 20.911 0.300 . 2 . . . . 58 VAL CG1 . 10099 1 648 . 1 1 58 58 VAL CG2 C 13 20.827 0.300 . 2 . . . . 58 VAL CG2 . 10099 1 649 . 1 1 58 58 VAL N N 15 120.402 0.300 . 1 . . . . 58 VAL N . 10099 1 650 . 1 1 59 59 SER H H 1 7.810 0.030 . 1 . . . . 59 SER H . 10099 1 651 . 1 1 59 59 SER HA H 1 4.464 0.030 . 1 . . . . 59 SER HA . 10099 1 652 . 1 1 59 59 SER HB2 H 1 3.956 0.030 . 2 . . . . 59 SER HB2 . 10099 1 653 . 1 1 59 59 SER HB3 H 1 3.658 0.030 . 2 . . . . 59 SER HB3 . 10099 1 654 . 1 1 59 59 SER C C 13 173.409 0.300 . 1 . . . . 59 SER C . 10099 1 655 . 1 1 59 59 SER CA C 13 57.670 0.300 . 1 . . . . 59 SER CA . 10099 1 656 . 1 1 59 59 SER CB C 13 63.624 0.300 . 1 . . . . 59 SER CB . 10099 1 657 . 1 1 59 59 SER N N 15 112.324 0.300 . 1 . . . . 59 SER N . 10099 1 658 . 1 1 60 60 ASN H H 1 8.383 0.030 . 1 . . . . 60 ASN H . 10099 1 659 . 1 1 60 60 ASN HA H 1 4.565 0.030 . 1 . . . . 60 ASN HA . 10099 1 660 . 1 1 60 60 ASN HB2 H 1 3.010 0.030 . 2 . . . . 60 ASN HB2 . 10099 1 661 . 1 1 60 60 ASN HB3 H 1 2.773 0.030 . 2 . . . . 60 ASN HB3 . 10099 1 662 . 1 1 60 60 ASN HD21 H 1 7.563 0.030 . 2 . . . . 60 ASN HD21 . 10099 1 663 . 1 1 60 60 ASN HD22 H 1 6.862 0.030 . 2 . . . . 60 ASN HD22 . 10099 1 664 . 1 1 60 60 ASN CA C 13 53.668 0.300 . 1 . . . . 60 ASN CA . 10099 1 665 . 1 1 60 60 ASN CB C 13 38.415 0.300 . 1 . . . . 60 ASN CB . 10099 1 666 . 1 1 60 60 ASN N N 15 120.258 0.300 . 1 . . . . 60 ASN N . 10099 1 667 . 1 1 60 60 ASN ND2 N 15 111.787 0.300 . 1 . . . . 60 ASN ND2 . 10099 1 668 . 1 1 61 61 SER H H 1 7.877 0.030 . 1 . . . . 61 SER H . 10099 1 669 . 1 1 61 61 SER HA H 1 4.848 0.030 . 1 . . . . 61 SER HA . 10099 1 670 . 1 1 61 61 SER HB2 H 1 3.904 0.030 . 2 . . . . 61 SER HB2 . 10099 1 671 . 1 1 61 61 SER HB3 H 1 3.781 0.030 . 2 . . . . 61 SER HB3 . 10099 1 672 . 1 1 61 61 SER C C 13 173.870 0.300 . 1 . . . . 61 SER C . 10099 1 673 . 1 1 61 61 SER CA C 13 57.160 0.300 . 1 . . . . 61 SER CA . 10099 1 674 . 1 1 61 61 SER CB C 13 65.454 0.300 . 1 . . . . 61 SER CB . 10099 1 675 . 1 1 61 61 SER N N 15 112.742 0.300 . 1 . . . . 61 SER N . 10099 1 676 . 1 1 62 62 TRP H H 1 8.830 0.030 . 1 . . . . 62 TRP H . 10099 1 677 . 1 1 62 62 TRP HA H 1 4.483 0.030 . 1 . . . . 62 TRP HA . 10099 1 678 . 1 1 62 62 TRP HB2 H 1 3.194 0.030 . 2 . . . . 62 TRP HB2 . 10099 1 679 . 1 1 62 62 TRP HB3 H 1 3.037 0.030 . 2 . . . . 62 TRP HB3 . 10099 1 680 . 1 1 62 62 TRP HD1 H 1 7.333 0.030 . 1 . . . . 62 TRP HD1 . 10099 1 681 . 1 1 62 62 TRP HE1 H 1 9.727 0.030 . 1 . . . . 62 TRP HE1 . 10099 1 682 . 1 1 62 62 TRP HE3 H 1 7.299 0.030 . 1 . . . . 62 TRP HE3 . 10099 1 683 . 1 1 62 62 TRP HZ2 H 1 7.286 0.030 . 1 . . . . 62 TRP HZ2 . 10099 1 684 . 1 1 62 62 TRP HH2 H 1 6.761 0.030 . 1 . . . . 62 TRP HH2 . 10099 1 685 . 1 1 62 62 TRP C C 13 176.639 0.300 . 1 . . . . 62 TRP C . 10099 1 686 . 1 1 62 62 TRP CA C 13 59.206 0.300 . 1 . . . . 62 TRP CA . 10099 1 687 . 1 1 62 62 TRP CB C 13 29.222 0.300 . 1 . . . . 62 TRP CB . 10099 1 688 . 1 1 62 62 TRP CD1 C 13 126.902 0.300 . 1 . . . . 62 TRP CD1 . 10099 1 689 . 1 1 62 62 TRP CE3 C 13 120.133 0.300 . 1 . . . . 62 TRP CE3 . 10099 1 690 . 1 1 62 62 TRP CZ2 C 13 114.846 0.300 . 1 . . . . 62 TRP CZ2 . 10099 1 691 . 1 1 62 62 TRP CZ3 C 13 122.555 0.300 . 1 . . . . 62 TRP CZ3 . 10099 1 692 . 1 1 62 62 TRP CH2 C 13 124.299 0.300 . 1 . . . . 62 TRP CH2 . 10099 1 693 . 1 1 62 62 TRP N N 15 124.286 0.300 . 1 . . . . 62 TRP N . 10099 1 694 . 1 1 62 62 TRP NE1 N 15 129.277 0.300 . 1 . . . . 62 TRP NE1 . 10099 1 695 . 1 1 63 63 GLN H H 1 9.155 0.030 . 1 . . . . 63 GLN H . 10099 1 696 . 1 1 63 63 GLN HA H 1 4.850 0.030 . 1 . . . . 63 GLN HA . 10099 1 697 . 1 1 63 63 GLN HB2 H 1 2.131 0.030 . 2 . . . . 63 GLN HB2 . 10099 1 698 . 1 1 63 63 GLN HB3 H 1 1.918 0.030 . 2 . . . . 63 GLN HB3 . 10099 1 699 . 1 1 63 63 GLN HG2 H 1 2.347 0.030 . 1 . . . . 63 GLN HG2 . 10099 1 700 . 1 1 63 63 GLN HG3 H 1 2.347 0.030 . 1 . . . . 63 GLN HG3 . 10099 1 701 . 1 1 63 63 GLN HE21 H 1 7.199 0.030 . 2 . . . . 63 GLN HE21 . 10099 1 702 . 1 1 63 63 GLN HE22 H 1 6.790 0.030 . 2 . . . . 63 GLN HE22 . 10099 1 703 . 1 1 63 63 GLN C C 13 176.056 0.300 . 1 . . . . 63 GLN C . 10099 1 704 . 1 1 63 63 GLN CA C 13 53.951 0.300 . 1 . . . . 63 GLN CA . 10099 1 705 . 1 1 63 63 GLN CB C 13 32.232 0.300 . 1 . . . . 63 GLN CB . 10099 1 706 . 1 1 63 63 GLN CG C 13 33.514 0.300 . 1 . . . . 63 GLN CG . 10099 1 707 . 1 1 63 63 GLN N N 15 121.139 0.300 . 1 . . . . 63 GLN N . 10099 1 708 . 1 1 63 63 GLN NE2 N 15 112.036 0.300 . 1 . . . . 63 GLN NE2 . 10099 1 709 . 1 1 64 64 THR H H 1 9.270 0.030 . 1 . . . . 64 THR H . 10099 1 710 . 1 1 64 64 THR HA H 1 4.494 0.030 . 1 . . . . 64 THR HA . 10099 1 711 . 1 1 64 64 THR HB H 1 4.119 0.030 . 1 . . . . 64 THR HB . 10099 1 712 . 1 1 64 64 THR HG21 H 1 1.162 0.030 . 1 . . . . 64 THR HG2 . 10099 1 713 . 1 1 64 64 THR HG22 H 1 1.162 0.030 . 1 . . . . 64 THR HG2 . 10099 1 714 . 1 1 64 64 THR HG23 H 1 1.162 0.030 . 1 . . . . 64 THR HG2 . 10099 1 715 . 1 1 64 64 THR CA C 13 64.708 0.300 . 1 . . . . 64 THR CA . 10099 1 716 . 1 1 64 64 THR CB C 13 68.593 0.300 . 1 . . . . 64 THR CB . 10099 1 717 . 1 1 64 64 THR CG2 C 13 22.386 0.300 . 1 . . . . 64 THR CG2 . 10099 1 718 . 1 1 64 64 THR N N 15 122.003 0.300 . 1 . . . . 64 THR N . 10099 1 719 . 1 1 65 65 VAL H H 1 8.977 0.030 . 1 . . . . 65 VAL H . 10099 1 720 . 1 1 65 65 VAL HA H 1 4.672 0.030 . 1 . . . . 65 VAL HA . 10099 1 721 . 1 1 65 65 VAL HB H 1 2.476 0.030 . 1 . . . . 65 VAL HB . 10099 1 722 . 1 1 65 65 VAL HG11 H 1 1.001 0.030 . 1 . . . . 65 VAL HG1 . 10099 1 723 . 1 1 65 65 VAL HG12 H 1 1.001 0.030 . 1 . . . . 65 VAL HG1 . 10099 1 724 . 1 1 65 65 VAL HG13 H 1 1.001 0.030 . 1 . . . . 65 VAL HG1 . 10099 1 725 . 1 1 65 65 VAL HG21 H 1 0.929 0.030 . 1 . . . . 65 VAL HG2 . 10099 1 726 . 1 1 65 65 VAL HG22 H 1 0.929 0.030 . 1 . . . . 65 VAL HG2 . 10099 1 727 . 1 1 65 65 VAL HG23 H 1 0.929 0.030 . 1 . . . . 65 VAL HG2 . 10099 1 728 . 1 1 65 65 VAL CA C 13 61.181 0.300 . 1 . . . . 65 VAL CA . 10099 1 729 . 1 1 65 65 VAL CB C 13 32.727 0.300 . 1 . . . . 65 VAL CB . 10099 1 730 . 1 1 65 65 VAL CG1 C 13 22.545 0.300 . 2 . . . . 65 VAL CG1 . 10099 1 731 . 1 1 65 65 VAL CG2 C 13 20.076 0.300 . 2 . . . . 65 VAL CG2 . 10099 1 732 . 1 1 65 65 VAL N N 15 120.937 0.300 . 1 . . . . 65 VAL N . 10099 1 733 . 1 1 66 66 ALA H H 1 7.724 0.030 . 1 . . . . 66 ALA H . 10099 1 734 . 1 1 66 66 ALA HA H 1 4.604 0.030 . 1 . . . . 66 ALA HA . 10099 1 735 . 1 1 66 66 ALA HB1 H 1 1.193 0.030 . 1 . . . . 66 ALA HB . 10099 1 736 . 1 1 66 66 ALA HB2 H 1 1.193 0.030 . 1 . . . . 66 ALA HB . 10099 1 737 . 1 1 66 66 ALA HB3 H 1 1.193 0.030 . 1 . . . . 66 ALA HB . 10099 1 738 . 1 1 66 66 ALA C C 13 174.551 0.300 . 1 . . . . 66 ALA C . 10099 1 739 . 1 1 66 66 ALA CA C 13 53.201 0.300 . 1 . . . . 66 ALA CA . 10099 1 740 . 1 1 66 66 ALA CB C 13 22.670 0.300 . 1 . . . . 66 ALA CB . 10099 1 741 . 1 1 66 66 ALA N N 15 123.246 0.300 . 1 . . . . 66 ALA N . 10099 1 742 . 1 1 67 67 ASN H H 1 8.631 0.030 . 1 . . . . 67 ASN H . 10099 1 743 . 1 1 67 67 ASN HA H 1 4.992 0.030 . 1 . . . . 67 ASN HA . 10099 1 744 . 1 1 67 67 ASN HB2 H 1 2.637 0.030 . 1 . . . . 67 ASN HB2 . 10099 1 745 . 1 1 67 67 ASN HB3 H 1 2.637 0.030 . 1 . . . . 67 ASN HB3 . 10099 1 746 . 1 1 67 67 ASN HD21 H 1 7.484 0.030 . 2 . . . . 67 ASN HD21 . 10099 1 747 . 1 1 67 67 ASN HD22 H 1 6.631 0.030 . 2 . . . . 67 ASN HD22 . 10099 1 748 . 1 1 67 67 ASN C C 13 173.652 0.300 . 1 . . . . 67 ASN C . 10099 1 749 . 1 1 67 67 ASN CA C 13 51.517 0.300 . 1 . . . . 67 ASN CA . 10099 1 750 . 1 1 67 67 ASN CB C 13 40.770 0.300 . 1 . . . . 67 ASN CB . 10099 1 751 . 1 1 67 67 ASN N N 15 119.847 0.300 . 1 . . . . 67 ASN N . 10099 1 752 . 1 1 67 67 ASN ND2 N 15 110.151 0.300 . 1 . . . . 67 ASN ND2 . 10099 1 753 . 1 1 68 68 HIS H H 1 8.164 0.030 . 1 . . . . 68 HIS H . 10099 1 754 . 1 1 68 68 HIS HA H 1 3.991 0.030 . 1 . . . . 68 HIS HA . 10099 1 755 . 1 1 68 68 HIS HB2 H 1 3.253 0.030 . 2 . . . . 68 HIS HB2 . 10099 1 756 . 1 1 68 68 HIS HB3 H 1 3.157 0.030 . 2 . . . . 68 HIS HB3 . 10099 1 757 . 1 1 68 68 HIS HD2 H 1 7.008 0.030 . 1 . . . . 68 HIS HD2 . 10099 1 758 . 1 1 68 68 HIS HE1 H 1 8.110 0.030 . 1 . . . . 68 HIS HE1 . 10099 1 759 . 1 1 68 68 HIS CA C 13 57.173 0.300 . 1 . . . . 68 HIS CA . 10099 1 760 . 1 1 68 68 HIS CB C 13 27.781 0.300 . 1 . . . . 68 HIS CB . 10099 1 761 . 1 1 68 68 HIS CD2 C 13 120.033 0.300 . 1 . . . . 68 HIS CD2 . 10099 1 762 . 1 1 68 68 HIS CE1 C 13 137.289 0.300 . 1 . . . . 68 HIS CE1 . 10099 1 763 . 1 1 68 68 HIS N N 15 117.681 0.300 . 1 . . . . 68 HIS N . 10099 1 764 . 1 1 69 69 VAL H H 1 8.813 0.030 . 1 . . . . 69 VAL H . 10099 1 765 . 1 1 69 69 VAL HA H 1 3.985 0.030 . 1 . . . . 69 VAL HA . 10099 1 766 . 1 1 69 69 VAL HB H 1 2.070 0.030 . 1 . . . . 69 VAL HB . 10099 1 767 . 1 1 69 69 VAL HG11 H 1 1.134 0.030 . 1 . . . . 69 VAL HG1 . 10099 1 768 . 1 1 69 69 VAL HG12 H 1 1.134 0.030 . 1 . . . . 69 VAL HG1 . 10099 1 769 . 1 1 69 69 VAL HG13 H 1 1.134 0.030 . 1 . . . . 69 VAL HG1 . 10099 1 770 . 1 1 69 69 VAL HG21 H 1 0.314 0.030 . 1 . . . . 69 VAL HG2 . 10099 1 771 . 1 1 69 69 VAL HG22 H 1 0.314 0.030 . 1 . . . . 69 VAL HG2 . 10099 1 772 . 1 1 69 69 VAL HG23 H 1 0.314 0.030 . 1 . . . . 69 VAL HG2 . 10099 1 773 . 1 1 69 69 VAL C C 13 177.490 0.300 . 1 . . . . 69 VAL C . 10099 1 774 . 1 1 69 69 VAL CA C 13 63.438 0.300 . 1 . . . . 69 VAL CA . 10099 1 775 . 1 1 69 69 VAL CB C 13 32.479 0.300 . 1 . . . . 69 VAL CB . 10099 1 776 . 1 1 69 69 VAL CG1 C 13 22.199 0.300 . 2 . . . . 69 VAL CG1 . 10099 1 777 . 1 1 69 69 VAL CG2 C 13 21.779 0.300 . 2 . . . . 69 VAL CG2 . 10099 1 778 . 1 1 69 69 VAL N N 15 121.805 0.300 . 1 . . . . 69 VAL N . 10099 1 779 . 1 1 70 70 LYS H H 1 9.144 0.030 . 1 . . . . 70 LYS H . 10099 1 780 . 1 1 70 70 LYS HA H 1 4.743 0.030 . 1 . . . . 70 LYS HA . 10099 1 781 . 1 1 70 70 LYS HB2 H 1 2.224 0.030 . 2 . . . . 70 LYS HB2 . 10099 1 782 . 1 1 70 70 LYS HB3 H 1 1.885 0.030 . 2 . . . . 70 LYS HB3 . 10099 1 783 . 1 1 70 70 LYS HG2 H 1 1.632 0.030 . 2 . . . . 70 LYS HG2 . 10099 1 784 . 1 1 70 70 LYS HG3 H 1 1.690 0.030 . 2 . . . . 70 LYS HG3 . 10099 1 785 . 1 1 70 70 LYS HD2 H 1 1.834 0.030 . 1 . . . . 70 LYS HD2 . 10099 1 786 . 1 1 70 70 LYS HD3 H 1 1.834 0.030 . 1 . . . . 70 LYS HD3 . 10099 1 787 . 1 1 70 70 LYS HE2 H 1 3.104 0.030 . 1 . . . . 70 LYS HE2 . 10099 1 788 . 1 1 70 70 LYS HE3 H 1 3.104 0.030 . 1 . . . . 70 LYS HE3 . 10099 1 789 . 1 1 70 70 LYS C C 13 176.494 0.300 . 1 . . . . 70 LYS C . 10099 1 790 . 1 1 70 70 LYS CA C 13 56.808 0.300 . 1 . . . . 70 LYS CA . 10099 1 791 . 1 1 70 70 LYS CB C 13 33.009 0.300 . 1 . . . . 70 LYS CB . 10099 1 792 . 1 1 70 70 LYS CG C 13 25.024 0.300 . 1 . . . . 70 LYS CG . 10099 1 793 . 1 1 70 70 LYS CD C 13 28.816 0.300 . 1 . . . . 70 LYS CD . 10099 1 794 . 1 1 70 70 LYS CE C 13 42.170 0.300 . 1 . . . . 70 LYS CE . 10099 1 795 . 1 1 70 70 LYS N N 15 125.968 0.300 . 1 . . . . 70 LYS N . 10099 1 796 . 1 1 71 71 THR H H 1 7.431 0.030 . 1 . . . . 71 THR H . 10099 1 797 . 1 1 71 71 THR HA H 1 4.695 0.030 . 1 . . . . 71 THR HA . 10099 1 798 . 1 1 71 71 THR HB H 1 4.558 0.030 . 1 . . . . 71 THR HB . 10099 1 799 . 1 1 71 71 THR HG21 H 1 1.331 0.030 . 1 . . . . 71 THR HG2 . 10099 1 800 . 1 1 71 71 THR HG22 H 1 1.331 0.030 . 1 . . . . 71 THR HG2 . 10099 1 801 . 1 1 71 71 THR HG23 H 1 1.331 0.030 . 1 . . . . 71 THR HG2 . 10099 1 802 . 1 1 71 71 THR C C 13 171.199 0.300 . 1 . . . . 71 THR C . 10099 1 803 . 1 1 71 71 THR CA C 13 59.559 0.300 . 1 . . . . 71 THR CA . 10099 1 804 . 1 1 71 71 THR CB C 13 70.392 0.300 . 1 . . . . 71 THR CB . 10099 1 805 . 1 1 71 71 THR CG2 C 13 21.721 0.300 . 1 . . . . 71 THR CG2 . 10099 1 806 . 1 1 71 71 THR N N 15 111.016 0.300 . 1 . . . . 71 THR N . 10099 1 807 . 1 1 72 72 THR H H 1 7.428 0.030 . 1 . . . . 72 THR H . 10099 1 808 . 1 1 72 72 THR HA H 1 2.965 0.030 . 1 . . . . 72 THR HA . 10099 1 809 . 1 1 72 72 THR HB H 1 3.745 0.030 . 1 . . . . 72 THR HB . 10099 1 810 . 1 1 72 72 THR HG21 H 1 0.621 0.030 . 1 . . . . 72 THR HG2 . 10099 1 811 . 1 1 72 72 THR HG22 H 1 0.621 0.030 . 1 . . . . 72 THR HG2 . 10099 1 812 . 1 1 72 72 THR HG23 H 1 0.621 0.030 . 1 . . . . 72 THR HG2 . 10099 1 813 . 1 1 72 72 THR CA C 13 59.883 0.300 . 1 . . . . 72 THR CA . 10099 1 814 . 1 1 72 72 THR CB C 13 66.365 0.300 . 1 . . . . 72 THR CB . 10099 1 815 . 1 1 72 72 THR CG2 C 13 21.020 0.300 . 1 . . . . 72 THR CG2 . 10099 1 816 . 1 1 72 72 THR N N 15 104.737 0.300 . 1 . . . . 72 THR N . 10099 1 817 . 1 1 73 73 LEU H H 1 6.526 0.030 . 1 . . . . 73 LEU H . 10099 1 818 . 1 1 73 73 LEU HA H 1 4.909 0.030 . 1 . . . . 73 LEU HA . 10099 1 819 . 1 1 73 73 LEU HB2 H 1 1.448 0.030 . 2 . . . . 73 LEU HB2 . 10099 1 820 . 1 1 73 73 LEU HB3 H 1 1.242 0.030 . 2 . . . . 73 LEU HB3 . 10099 1 821 . 1 1 73 73 LEU HG H 1 1.284 0.030 . 1 . . . . 73 LEU HG . 10099 1 822 . 1 1 73 73 LEU HD11 H 1 0.710 0.030 . 1 . . . . 73 LEU HD1 . 10099 1 823 . 1 1 73 73 LEU HD12 H 1 0.710 0.030 . 1 . . . . 73 LEU HD1 . 10099 1 824 . 1 1 73 73 LEU HD13 H 1 0.710 0.030 . 1 . . . . 73 LEU HD1 . 10099 1 825 . 1 1 73 73 LEU HD21 H 1 0.726 0.030 . 1 . . . . 73 LEU HD2 . 10099 1 826 . 1 1 73 73 LEU HD22 H 1 0.726 0.030 . 1 . . . . 73 LEU HD2 . 10099 1 827 . 1 1 73 73 LEU HD23 H 1 0.726 0.030 . 1 . . . . 73 LEU HD2 . 10099 1 828 . 1 1 73 73 LEU C C 13 176.469 0.300 . 1 . . . . 73 LEU C . 10099 1 829 . 1 1 73 73 LEU CA C 13 54.127 0.300 . 1 . . . . 73 LEU CA . 10099 1 830 . 1 1 73 73 LEU CB C 13 45.152 0.300 . 1 . . . . 73 LEU CB . 10099 1 831 . 1 1 73 73 LEU CG C 13 27.219 0.300 . 1 . . . . 73 LEU CG . 10099 1 832 . 1 1 73 73 LEU CD1 C 13 25.506 0.300 . 2 . . . . 73 LEU CD1 . 10099 1 833 . 1 1 73 73 LEU CD2 C 13 24.620 0.300 . 2 . . . . 73 LEU CD2 . 10099 1 834 . 1 1 73 73 LEU N N 15 120.381 0.300 . 1 . . . . 73 LEU N . 10099 1 835 . 1 1 74 74 TYR H H 1 9.283 0.030 . 1 . . . . 74 TYR H . 10099 1 836 . 1 1 74 74 TYR HA H 1 4.588 0.030 . 1 . . . . 74 TYR HA . 10099 1 837 . 1 1 74 74 TYR HB2 H 1 3.027 0.030 . 2 . . . . 74 TYR HB2 . 10099 1 838 . 1 1 74 74 TYR HB3 H 1 2.675 0.030 . 2 . . . . 74 TYR HB3 . 10099 1 839 . 1 1 74 74 TYR HD1 H 1 6.940 0.030 . 1 . . . . 74 TYR HD1 . 10099 1 840 . 1 1 74 74 TYR HD2 H 1 6.940 0.030 . 1 . . . . 74 TYR HD2 . 10099 1 841 . 1 1 74 74 TYR HE1 H 1 6.845 0.030 . 1 . . . . 74 TYR HE1 . 10099 1 842 . 1 1 74 74 TYR HE2 H 1 6.845 0.030 . 1 . . . . 74 TYR HE2 . 10099 1 843 . 1 1 74 74 TYR C C 13 172.972 0.300 . 1 . . . . 74 TYR C . 10099 1 844 . 1 1 74 74 TYR CA C 13 58.959 0.300 . 1 . . . . 74 TYR CA . 10099 1 845 . 1 1 74 74 TYR CB C 13 44.080 0.300 . 1 . . . . 74 TYR CB . 10099 1 846 . 1 1 74 74 TYR CD1 C 13 133.393 0.300 . 1 . . . . 74 TYR CD1 . 10099 1 847 . 1 1 74 74 TYR CD2 C 13 133.393 0.300 . 1 . . . . 74 TYR CD2 . 10099 1 848 . 1 1 74 74 TYR CE1 C 13 118.584 0.300 . 1 . . . . 74 TYR CE1 . 10099 1 849 . 1 1 74 74 TYR CE2 C 13 118.584 0.300 . 1 . . . . 74 TYR CE2 . 10099 1 850 . 1 1 74 74 TYR N N 15 127.635 0.300 . 1 . . . . 74 TYR N . 10099 1 851 . 1 1 75 75 THR H H 1 7.845 0.030 . 1 . . . . 75 THR H . 10099 1 852 . 1 1 75 75 THR HA H 1 4.719 0.030 . 1 . . . . 75 THR HA . 10099 1 853 . 1 1 75 75 THR HB H 1 3.556 0.030 . 1 . . . . 75 THR HB . 10099 1 854 . 1 1 75 75 THR HG21 H 1 0.864 0.030 . 1 . . . . 75 THR HG2 . 10099 1 855 . 1 1 75 75 THR HG22 H 1 0.864 0.030 . 1 . . . . 75 THR HG2 . 10099 1 856 . 1 1 75 75 THR HG23 H 1 0.864 0.030 . 1 . . . . 75 THR HG2 . 10099 1 857 . 1 1 75 75 THR C C 13 171.927 0.300 . 1 . . . . 75 THR C . 10099 1 858 . 1 1 75 75 THR CA C 13 62.169 0.300 . 1 . . . . 75 THR CA . 10099 1 859 . 1 1 75 75 THR CB C 13 69.383 0.300 . 1 . . . . 75 THR CB . 10099 1 860 . 1 1 75 75 THR CG2 C 13 21.546 0.300 . 1 . . . . 75 THR CG2 . 10099 1 861 . 1 1 75 75 THR N N 15 125.529 0.300 . 1 . . . . 75 THR N . 10099 1 862 . 1 1 76 76 VAL H H 1 8.936 0.030 . 1 . . . . 76 VAL H . 10099 1 863 . 1 1 76 76 VAL HA H 1 3.934 0.030 . 1 . . . . 76 VAL HA . 10099 1 864 . 1 1 76 76 VAL HB H 1 2.001 0.030 . 1 . . . . 76 VAL HB . 10099 1 865 . 1 1 76 76 VAL HG11 H 1 1.022 0.030 . 1 . . . . 76 VAL HG1 . 10099 1 866 . 1 1 76 76 VAL HG12 H 1 1.022 0.030 . 1 . . . . 76 VAL HG1 . 10099 1 867 . 1 1 76 76 VAL HG13 H 1 1.022 0.030 . 1 . . . . 76 VAL HG1 . 10099 1 868 . 1 1 76 76 VAL HG21 H 1 0.950 0.030 . 1 . . . . 76 VAL HG2 . 10099 1 869 . 1 1 76 76 VAL HG22 H 1 0.950 0.030 . 1 . . . . 76 VAL HG2 . 10099 1 870 . 1 1 76 76 VAL HG23 H 1 0.950 0.030 . 1 . . . . 76 VAL HG2 . 10099 1 871 . 1 1 76 76 VAL C C 13 174.526 0.300 . 1 . . . . 76 VAL C . 10099 1 872 . 1 1 76 76 VAL CA C 13 62.349 0.300 . 1 . . . . 76 VAL CA . 10099 1 873 . 1 1 76 76 VAL CB C 13 32.250 0.300 . 1 . . . . 76 VAL CB . 10099 1 874 . 1 1 76 76 VAL CG1 C 13 22.551 0.300 . 2 . . . . 76 VAL CG1 . 10099 1 875 . 1 1 76 76 VAL CG2 C 13 21.721 0.300 . 2 . . . . 76 VAL CG2 . 10099 1 876 . 1 1 76 76 VAL N N 15 129.281 0.300 . 1 . . . . 76 VAL N . 10099 1 877 . 1 1 77 77 ARG H H 1 8.255 0.030 . 1 . . . . 77 ARG H . 10099 1 878 . 1 1 77 77 ARG HA H 1 4.814 0.030 . 1 . . . . 77 ARG HA . 10099 1 879 . 1 1 77 77 ARG HB2 H 1 1.638 0.030 . 2 . . . . 77 ARG HB2 . 10099 1 880 . 1 1 77 77 ARG HB3 H 1 1.894 0.030 . 2 . . . . 77 ARG HB3 . 10099 1 881 . 1 1 77 77 ARG HG2 H 1 1.421 0.030 . 2 . . . . 77 ARG HG2 . 10099 1 882 . 1 1 77 77 ARG HG3 H 1 1.518 0.030 . 2 . . . . 77 ARG HG3 . 10099 1 883 . 1 1 77 77 ARG HD2 H 1 3.133 0.030 . 1 . . . . 77 ARG HD2 . 10099 1 884 . 1 1 77 77 ARG HD3 H 1 3.133 0.030 . 1 . . . . 77 ARG HD3 . 10099 1 885 . 1 1 77 77 ARG HE H 1 7.194 0.030 . 1 . . . . 77 ARG HE . 10099 1 886 . 1 1 77 77 ARG C C 13 176.056 0.300 . 1 . . . . 77 ARG C . 10099 1 887 . 1 1 77 77 ARG CA C 13 54.621 0.300 . 1 . . . . 77 ARG CA . 10099 1 888 . 1 1 77 77 ARG CB C 13 32.067 0.300 . 1 . . . . 77 ARG CB . 10099 1 889 . 1 1 77 77 ARG CG C 13 28.760 0.300 . 1 . . . . 77 ARG CG . 10099 1 890 . 1 1 77 77 ARG CD C 13 43.241 0.300 . 1 . . . . 77 ARG CD . 10099 1 891 . 1 1 77 77 ARG N N 15 125.128 0.300 . 1 . . . . 77 ARG N . 10099 1 892 . 1 1 77 77 ARG NE N 15 85.312 0.300 . 1 . . . . 77 ARG NE . 10099 1 893 . 1 1 78 78 GLY H H 1 8.344 0.030 . 1 . . . . 78 GLY H . 10099 1 894 . 1 1 78 78 GLY HA2 H 1 4.033 0.030 . 2 . . . . 78 GLY HA2 . 10099 1 895 . 1 1 78 78 GLY HA3 H 1 3.831 0.030 . 2 . . . . 78 GLY HA3 . 10099 1 896 . 1 1 78 78 GLY C C 13 175.522 0.300 . 1 . . . . 78 GLY C . 10099 1 897 . 1 1 78 78 GLY CA C 13 46.085 0.300 . 1 . . . . 78 GLY CA . 10099 1 898 . 1 1 78 78 GLY N N 15 106.495 0.300 . 1 . . . . 78 GLY N . 10099 1 899 . 1 1 79 79 LEU H H 1 7.964 0.030 . 1 . . . . 79 LEU H . 10099 1 900 . 1 1 79 79 LEU HA H 1 4.269 0.030 . 1 . . . . 79 LEU HA . 10099 1 901 . 1 1 79 79 LEU HB2 H 1 1.388 0.030 . 2 . . . . 79 LEU HB2 . 10099 1 902 . 1 1 79 79 LEU HB3 H 1 1.009 0.030 . 2 . . . . 79 LEU HB3 . 10099 1 903 . 1 1 79 79 LEU HG H 1 1.186 0.030 . 1 . . . . 79 LEU HG . 10099 1 904 . 1 1 79 79 LEU HD11 H 1 0.344 0.030 . 1 . . . . 79 LEU HD1 . 10099 1 905 . 1 1 79 79 LEU HD12 H 1 0.344 0.030 . 1 . . . . 79 LEU HD1 . 10099 1 906 . 1 1 79 79 LEU HD13 H 1 0.344 0.030 . 1 . . . . 79 LEU HD1 . 10099 1 907 . 1 1 79 79 LEU HD21 H 1 0.232 0.030 . 1 . . . . 79 LEU HD2 . 10099 1 908 . 1 1 79 79 LEU HD22 H 1 0.232 0.030 . 1 . . . . 79 LEU HD2 . 10099 1 909 . 1 1 79 79 LEU HD23 H 1 0.232 0.030 . 1 . . . . 79 LEU HD2 . 10099 1 910 . 1 1 79 79 LEU CA C 13 53.536 0.300 . 1 . . . . 79 LEU CA . 10099 1 911 . 1 1 79 79 LEU CB C 13 41.189 0.300 . 1 . . . . 79 LEU CB . 10099 1 912 . 1 1 79 79 LEU CG C 13 26.409 0.300 . 1 . . . . 79 LEU CG . 10099 1 913 . 1 1 79 79 LEU CD1 C 13 26.667 0.300 . 2 . . . . 79 LEU CD1 . 10099 1 914 . 1 1 79 79 LEU CD2 C 13 19.453 0.300 . 2 . . . . 79 LEU CD2 . 10099 1 915 . 1 1 79 79 LEU N N 15 119.110 0.300 . 1 . . . . 79 LEU N . 10099 1 916 . 1 1 80 80 ARG H H 1 8.445 0.030 . 1 . . . . 80 ARG H . 10099 1 917 . 1 1 80 80 ARG HA H 1 4.618 0.030 . 1 . . . . 80 ARG HA . 10099 1 918 . 1 1 80 80 ARG HB2 H 1 1.842 0.030 . 2 . . . . 80 ARG HB2 . 10099 1 919 . 1 1 80 80 ARG HB3 H 1 1.804 0.030 . 2 . . . . 80 ARG HB3 . 10099 1 920 . 1 1 80 80 ARG HG2 H 1 1.775 0.030 . 1 . . . . 80 ARG HG2 . 10099 1 921 . 1 1 80 80 ARG HG3 H 1 1.775 0.030 . 1 . . . . 80 ARG HG3 . 10099 1 922 . 1 1 80 80 ARG HD2 H 1 3.124 0.030 . 2 . . . . 80 ARG HD2 . 10099 1 923 . 1 1 80 80 ARG HD3 H 1 3.064 0.030 . 2 . . . . 80 ARG HD3 . 10099 1 924 . 1 1 80 80 ARG HE H 1 7.216 0.030 . 1 . . . . 80 ARG HE . 10099 1 925 . 1 1 80 80 ARG C C 13 176.227 0.300 . 1 . . . . 80 ARG C . 10099 1 926 . 1 1 80 80 ARG CA C 13 54.197 0.300 . 1 . . . . 80 ARG CA . 10099 1 927 . 1 1 80 80 ARG CB C 13 31.349 0.300 . 1 . . . . 80 ARG CB . 10099 1 928 . 1 1 80 80 ARG CG C 13 26.990 0.300 . 1 . . . . 80 ARG CG . 10099 1 929 . 1 1 80 80 ARG CD C 13 43.969 0.300 . 1 . . . . 80 ARG CD . 10099 1 930 . 1 1 80 80 ARG N N 15 121.703 0.300 . 1 . . . . 80 ARG N . 10099 1 931 . 1 1 80 80 ARG NE N 15 127.964 0.300 . 1 . . . . 80 ARG NE . 10099 1 932 . 1 1 81 81 PRO HA H 1 5.234 0.030 . 1 . . . . 81 PRO HA . 10099 1 933 . 1 1 81 81 PRO HB2 H 1 2.505 0.030 . 2 . . . . 81 PRO HB2 . 10099 1 934 . 1 1 81 81 PRO HB3 H 1 1.973 0.030 . 2 . . . . 81 PRO HB3 . 10099 1 935 . 1 1 81 81 PRO HG2 H 1 2.034 0.030 . 2 . . . . 81 PRO HG2 . 10099 1 936 . 1 1 81 81 PRO HG3 H 1 1.984 0.030 . 2 . . . . 81 PRO HG3 . 10099 1 937 . 1 1 81 81 PRO HD2 H 1 3.637 0.030 . 2 . . . . 81 PRO HD2 . 10099 1 938 . 1 1 81 81 PRO HD3 H 1 3.971 0.030 . 2 . . . . 81 PRO HD3 . 10099 1 939 . 1 1 81 81 PRO CA C 13 63.113 0.300 . 1 . . . . 81 PRO CA . 10099 1 940 . 1 1 81 81 PRO CB C 13 33.471 0.300 . 1 . . . . 81 PRO CB . 10099 1 941 . 1 1 81 81 PRO CG C 13 27.167 0.300 . 1 . . . . 81 PRO CG . 10099 1 942 . 1 1 81 81 PRO CD C 13 51.148 0.300 . 1 . . . . 81 PRO CD . 10099 1 943 . 1 1 82 82 ASN H H 1 8.076 0.030 . 1 . . . . 82 ASN H . 10099 1 944 . 1 1 82 82 ASN HA H 1 4.399 0.030 . 1 . . . . 82 ASN HA . 10099 1 945 . 1 1 82 82 ASN HB2 H 1 3.125 0.030 . 2 . . . . 82 ASN HB2 . 10099 1 946 . 1 1 82 82 ASN HB3 H 1 2.444 0.030 . 2 . . . . 82 ASN HB3 . 10099 1 947 . 1 1 82 82 ASN HD21 H 1 7.546 0.030 . 2 . . . . 82 ASN HD21 . 10099 1 948 . 1 1 82 82 ASN HD22 H 1 6.895 0.030 . 2 . . . . 82 ASN HD22 . 10099 1 949 . 1 1 82 82 ASN CA C 13 53.668 0.300 . 1 . . . . 82 ASN CA . 10099 1 950 . 1 1 82 82 ASN CB C 13 38.349 0.300 . 1 . . . . 82 ASN CB . 10099 1 951 . 1 1 82 82 ASN N N 15 123.672 0.300 . 1 . . . . 82 ASN N . 10099 1 952 . 1 1 82 82 ASN ND2 N 15 111.691 0.300 . 1 . . . . 82 ASN ND2 . 10099 1 953 . 1 1 83 83 THR H H 1 8.343 0.030 . 1 . . . . 83 THR H . 10099 1 954 . 1 1 83 83 THR HA H 1 4.292 0.030 . 1 . . . . 83 THR HA . 10099 1 955 . 1 1 83 83 THR HB H 1 3.785 0.030 . 1 . . . . 83 THR HB . 10099 1 956 . 1 1 83 83 THR HG21 H 1 0.466 0.030 . 1 . . . . 83 THR HG2 . 10099 1 957 . 1 1 83 83 THR HG22 H 1 0.466 0.030 . 1 . . . . 83 THR HG2 . 10099 1 958 . 1 1 83 83 THR HG23 H 1 0.466 0.030 . 1 . . . . 83 THR HG2 . 10099 1 959 . 1 1 83 83 THR C C 13 171.417 0.300 . 1 . . . . 83 THR C . 10099 1 960 . 1 1 83 83 THR CA C 13 62.980 0.300 . 1 . . . . 83 THR CA . 10099 1 961 . 1 1 83 83 THR CB C 13 71.867 0.300 . 1 . . . . 83 THR CB . 10099 1 962 . 1 1 83 83 THR CG2 C 13 20.990 0.300 . 1 . . . . 83 THR CG2 . 10099 1 963 . 1 1 83 83 THR N N 15 115.766 0.300 . 1 . . . . 83 THR N . 10099 1 964 . 1 1 84 84 ILE H H 1 8.366 0.030 . 1 . . . . 84 ILE H . 10099 1 965 . 1 1 84 84 ILE HA H 1 4.766 0.030 . 1 . . . . 84 ILE HA . 10099 1 966 . 1 1 84 84 ILE HB H 1 1.614 0.030 . 1 . . . . 84 ILE HB . 10099 1 967 . 1 1 84 84 ILE HG12 H 1 1.574 0.030 . 2 . . . . 84 ILE HG12 . 10099 1 968 . 1 1 84 84 ILE HG13 H 1 0.843 0.030 . 2 . . . . 84 ILE HG13 . 10099 1 969 . 1 1 84 84 ILE HG21 H 1 0.765 0.030 . 1 . . . . 84 ILE HG2 . 10099 1 970 . 1 1 84 84 ILE HG22 H 1 0.765 0.030 . 1 . . . . 84 ILE HG2 . 10099 1 971 . 1 1 84 84 ILE HG23 H 1 0.765 0.030 . 1 . . . . 84 ILE HG2 . 10099 1 972 . 1 1 84 84 ILE HD11 H 1 0.843 0.030 . 1 . . . . 84 ILE HD1 . 10099 1 973 . 1 1 84 84 ILE HD12 H 1 0.843 0.030 . 1 . . . . 84 ILE HD1 . 10099 1 974 . 1 1 84 84 ILE HD13 H 1 0.843 0.030 . 1 . . . . 84 ILE HD1 . 10099 1 975 . 1 1 84 84 ILE C C 13 175.935 0.300 . 1 . . . . 84 ILE C . 10099 1 976 . 1 1 84 84 ILE CA C 13 60.793 0.300 . 1 . . . . 84 ILE CA . 10099 1 977 . 1 1 84 84 ILE CB C 13 37.855 0.300 . 1 . . . . 84 ILE CB . 10099 1 978 . 1 1 84 84 ILE CG1 C 13 27.819 0.300 . 1 . . . . 84 ILE CG1 . 10099 1 979 . 1 1 84 84 ILE CG2 C 13 17.897 0.300 . 1 . . . . 84 ILE CG2 . 10099 1 980 . 1 1 84 84 ILE CD1 C 13 13.337 0.300 . 1 . . . . 84 ILE CD1 . 10099 1 981 . 1 1 84 84 ILE N N 15 125.235 0.300 . 1 . . . . 84 ILE N . 10099 1 982 . 1 1 85 85 TYR H H 1 9.442 0.030 . 1 . . . . 85 TYR H . 10099 1 983 . 1 1 85 85 TYR HA H 1 5.107 0.030 . 1 . . . . 85 TYR HA . 10099 1 984 . 1 1 85 85 TYR HB2 H 1 2.448 0.030 . 2 . . . . 85 TYR HB2 . 10099 1 985 . 1 1 85 85 TYR HB3 H 1 2.162 0.030 . 2 . . . . 85 TYR HB3 . 10099 1 986 . 1 1 85 85 TYR HD1 H 1 6.978 0.030 . 1 . . . . 85 TYR HD1 . 10099 1 987 . 1 1 85 85 TYR HD2 H 1 6.978 0.030 . 1 . . . . 85 TYR HD2 . 10099 1 988 . 1 1 85 85 TYR HE1 H 1 7.299 0.030 . 1 . . . . 85 TYR HE1 . 10099 1 989 . 1 1 85 85 TYR HE2 H 1 7.299 0.030 . 1 . . . . 85 TYR HE2 . 10099 1 990 . 1 1 85 85 TYR C C 13 174.842 0.300 . 1 . . . . 85 TYR C . 10099 1 991 . 1 1 85 85 TYR CA C 13 57.703 0.300 . 1 . . . . 85 TYR CA . 10099 1 992 . 1 1 85 85 TYR CB C 13 45.371 0.300 . 1 . . . . 85 TYR CB . 10099 1 993 . 1 1 85 85 TYR CD1 C 13 130.477 0.300 . 1 . . . . 85 TYR CD1 . 10099 1 994 . 1 1 85 85 TYR CD2 C 13 130.477 0.300 . 1 . . . . 85 TYR CD2 . 10099 1 995 . 1 1 85 85 TYR CE1 C 13 120.133 0.300 . 1 . . . . 85 TYR CE1 . 10099 1 996 . 1 1 85 85 TYR CE2 C 13 120.133 0.300 . 1 . . . . 85 TYR CE2 . 10099 1 997 . 1 1 85 85 TYR N N 15 129.044 0.300 . 1 . . . . 85 TYR N . 10099 1 998 . 1 1 86 86 LEU H H 1 8.387 0.030 . 1 . . . . 86 LEU H . 10099 1 999 . 1 1 86 86 LEU HA H 1 4.517 0.030 . 1 . . . . 86 LEU HA . 10099 1 1000 . 1 1 86 86 LEU HB2 H 1 1.710 0.030 . 2 . . . . 86 LEU HB2 . 10099 1 1001 . 1 1 86 86 LEU HB3 H 1 1.601 0.030 . 2 . . . . 86 LEU HB3 . 10099 1 1002 . 1 1 86 86 LEU HG H 1 1.644 0.030 . 1 . . . . 86 LEU HG . 10099 1 1003 . 1 1 86 86 LEU HD11 H 1 0.947 0.030 . 1 . . . . 86 LEU HD1 . 10099 1 1004 . 1 1 86 86 LEU HD12 H 1 0.947 0.030 . 1 . . . . 86 LEU HD1 . 10099 1 1005 . 1 1 86 86 LEU HD13 H 1 0.947 0.030 . 1 . . . . 86 LEU HD1 . 10099 1 1006 . 1 1 86 86 LEU HD21 H 1 1.021 0.030 . 1 . . . . 86 LEU HD2 . 10099 1 1007 . 1 1 86 86 LEU HD22 H 1 1.021 0.030 . 1 . . . . 86 LEU HD2 . 10099 1 1008 . 1 1 86 86 LEU HD23 H 1 1.021 0.030 . 1 . . . . 86 LEU HD2 . 10099 1 1009 . 1 1 86 86 LEU C C 13 175.255 0.300 . 1 . . . . 86 LEU C . 10099 1 1010 . 1 1 86 86 LEU CA C 13 54.197 0.300 . 1 . . . . 86 LEU CA . 10099 1 1011 . 1 1 86 86 LEU CB C 13 46.995 0.300 . 1 . . . . 86 LEU CB . 10099 1 1012 . 1 1 86 86 LEU CG C 13 28.063 0.300 . 1 . . . . 86 LEU CG . 10099 1 1013 . 1 1 86 86 LEU CD1 C 13 25.743 0.300 . 2 . . . . 86 LEU CD1 . 10099 1 1014 . 1 1 86 86 LEU CD2 C 13 24.803 0.300 . 2 . . . . 86 LEU CD2 . 10099 1 1015 . 1 1 86 86 LEU N N 15 118.105 0.300 . 1 . . . . 86 LEU N . 10099 1 1016 . 1 1 87 87 PHE H H 1 8.501 0.030 . 1 . . . . 87 PHE H . 10099 1 1017 . 1 1 87 87 PHE HA H 1 6.155 0.030 . 1 . . . . 87 PHE HA . 10099 1 1018 . 1 1 87 87 PHE HB2 H 1 2.581 0.030 . 2 . . . . 87 PHE HB2 . 10099 1 1019 . 1 1 87 87 PHE HB3 H 1 3.013 0.030 . 2 . . . . 87 PHE HB3 . 10099 1 1020 . 1 1 87 87 PHE HD1 H 1 7.271 0.030 . 1 . . . . 87 PHE HD1 . 10099 1 1021 . 1 1 87 87 PHE HD2 H 1 7.271 0.030 . 1 . . . . 87 PHE HD2 . 10099 1 1022 . 1 1 87 87 PHE HE1 H 1 6.983 0.030 . 1 . . . . 87 PHE HE1 . 10099 1 1023 . 1 1 87 87 PHE HE2 H 1 6.983 0.030 . 1 . . . . 87 PHE HE2 . 10099 1 1024 . 1 1 87 87 PHE HZ H 1 6.616 0.030 . 1 . . . . 87 PHE HZ . 10099 1 1025 . 1 1 87 87 PHE C C 13 175.158 0.300 . 1 . . . . 87 PHE C . 10099 1 1026 . 1 1 87 87 PHE CA C 13 57.019 0.300 . 1 . . . . 87 PHE CA . 10099 1 1027 . 1 1 87 87 PHE CB C 13 44.407 0.300 . 1 . . . . 87 PHE CB . 10099 1 1028 . 1 1 87 87 PHE CD1 C 13 132.522 0.300 . 1 . . . . 87 PHE CD1 . 10099 1 1029 . 1 1 87 87 PHE CD2 C 13 132.522 0.300 . 1 . . . . 87 PHE CD2 . 10099 1 1030 . 1 1 87 87 PHE CE1 C 13 130.482 0.300 . 1 . . . . 87 PHE CE1 . 10099 1 1031 . 1 1 87 87 PHE CE2 C 13 130.482 0.300 . 1 . . . . 87 PHE CE2 . 10099 1 1032 . 1 1 87 87 PHE CZ C 13 128.778 0.300 . 1 . . . . 87 PHE CZ . 10099 1 1033 . 1 1 87 87 PHE N N 15 114.914 0.300 . 1 . . . . 87 PHE N . 10099 1 1034 . 1 1 88 88 MET H H 1 9.106 0.030 . 1 . . . . 88 MET H . 10099 1 1035 . 1 1 88 88 MET HA H 1 4.361 0.030 . 1 . . . . 88 MET HA . 10099 1 1036 . 1 1 88 88 MET HB2 H 1 1.693 0.030 . 2 . . . . 88 MET HB2 . 10099 1 1037 . 1 1 88 88 MET HB3 H 1 1.655 0.030 . 2 . . . . 88 MET HB3 . 10099 1 1038 . 1 1 88 88 MET HG2 H 1 2.033 0.030 . 2 . . . . 88 MET HG2 . 10099 1 1039 . 1 1 88 88 MET HG3 H 1 1.994 0.030 . 2 . . . . 88 MET HG3 . 10099 1 1040 . 1 1 88 88 MET HE1 H 1 0.644 0.030 . 1 . . . . 88 MET HE . 10099 1 1041 . 1 1 88 88 MET HE2 H 1 0.644 0.030 . 1 . . . . 88 MET HE . 10099 1 1042 . 1 1 88 88 MET HE3 H 1 0.644 0.030 . 1 . . . . 88 MET HE . 10099 1 1043 . 1 1 88 88 MET C C 13 172.534 0.300 . 1 . . . . 88 MET C . 10099 1 1044 . 1 1 88 88 MET CA C 13 55.863 0.300 . 1 . . . . 88 MET CA . 10099 1 1045 . 1 1 88 88 MET CB C 13 36.769 0.300 . 1 . . . . 88 MET CB . 10099 1 1046 . 1 1 88 88 MET CG C 13 31.336 0.300 . 1 . . . . 88 MET CG . 10099 1 1047 . 1 1 88 88 MET CE C 13 14.870 0.300 . 1 . . . . 88 MET CE . 10099 1 1048 . 1 1 88 88 MET N N 15 117.021 0.300 . 1 . . . . 88 MET N . 10099 1 1049 . 1 1 89 89 VAL H H 1 8.434 0.030 . 1 . . . . 89 VAL H . 10099 1 1050 . 1 1 89 89 VAL HA H 1 4.969 0.030 . 1 . . . . 89 VAL HA . 10099 1 1051 . 1 1 89 89 VAL HB H 1 1.027 0.030 . 1 . . . . 89 VAL HB . 10099 1 1052 . 1 1 89 89 VAL HG11 H 1 -0.044 0.030 . 1 . . . . 89 VAL HG1 . 10099 1 1053 . 1 1 89 89 VAL HG12 H 1 -0.044 0.030 . 1 . . . . 89 VAL HG1 . 10099 1 1054 . 1 1 89 89 VAL HG13 H 1 -0.044 0.030 . 1 . . . . 89 VAL HG1 . 10099 1 1055 . 1 1 89 89 VAL HG21 H 1 -0.228 0.030 . 1 . . . . 89 VAL HG2 . 10099 1 1056 . 1 1 89 89 VAL HG22 H 1 -0.228 0.030 . 1 . . . . 89 VAL HG2 . 10099 1 1057 . 1 1 89 89 VAL HG23 H 1 -0.228 0.030 . 1 . . . . 89 VAL HG2 . 10099 1 1058 . 1 1 89 89 VAL C C 13 174.915 0.300 . 1 . . . . 89 VAL C . 10099 1 1059 . 1 1 89 89 VAL CA C 13 59.947 0.300 . 1 . . . . 89 VAL CA . 10099 1 1060 . 1 1 89 89 VAL CB C 13 35.369 0.300 . 1 . . . . 89 VAL CB . 10099 1 1061 . 1 1 89 89 VAL CG1 C 13 20.057 0.300 . 2 . . . . 89 VAL CG1 . 10099 1 1062 . 1 1 89 89 VAL CG2 C 13 20.486 0.300 . 2 . . . . 89 VAL CG2 . 10099 1 1063 . 1 1 89 89 VAL N N 15 119.759 0.300 . 1 . . . . 89 VAL N . 10099 1 1064 . 1 1 90 90 ARG H H 1 8.691 0.030 . 1 . . . . 90 ARG H . 10099 1 1065 . 1 1 90 90 ARG HA H 1 4.463 0.030 . 1 . . . . 90 ARG HA . 10099 1 1066 . 1 1 90 90 ARG HB2 H 1 1.804 0.030 . 2 . . . . 90 ARG HB2 . 10099 1 1067 . 1 1 90 90 ARG HB3 H 1 1.341 0.030 . 2 . . . . 90 ARG HB3 . 10099 1 1068 . 1 1 90 90 ARG HG2 H 1 1.169 0.030 . 2 . . . . 90 ARG HG2 . 10099 1 1069 . 1 1 90 90 ARG HG3 H 1 1.432 0.030 . 2 . . . . 90 ARG HG3 . 10099 1 1070 . 1 1 90 90 ARG HD2 H 1 2.897 0.030 . 2 . . . . 90 ARG HD2 . 10099 1 1071 . 1 1 90 90 ARG HD3 H 1 3.049 0.030 . 2 . . . . 90 ARG HD3 . 10099 1 1072 . 1 1 90 90 ARG HE H 1 7.769 0.030 . 1 . . . . 90 ARG HE . 10099 1 1073 . 1 1 90 90 ARG C C 13 174.332 0.300 . 1 . . . . 90 ARG C . 10099 1 1074 . 1 1 90 90 ARG CA C 13 54.268 0.300 . 1 . . . . 90 ARG CA . 10099 1 1075 . 1 1 90 90 ARG CB C 13 34.293 0.300 . 1 . . . . 90 ARG CB . 10099 1 1076 . 1 1 90 90 ARG CG C 13 28.219 0.300 . 1 . . . . 90 ARG CG . 10099 1 1077 . 1 1 90 90 ARG CD C 13 44.395 0.300 . 1 . . . . 90 ARG CD . 10099 1 1078 . 1 1 90 90 ARG N N 15 121.388 0.300 . 1 . . . . 90 ARG N . 10099 1 1079 . 1 1 90 90 ARG NE N 15 85.364 0.300 . 1 . . . . 90 ARG NE . 10099 1 1080 . 1 1 91 91 ALA H H 1 9.008 0.030 . 1 . . . . 91 ALA H . 10099 1 1081 . 1 1 91 91 ALA HA H 1 4.814 0.030 . 1 . . . . 91 ALA HA . 10099 1 1082 . 1 1 91 91 ALA HB1 H 1 1.372 0.030 . 1 . . . . 91 ALA HB . 10099 1 1083 . 1 1 91 91 ALA HB2 H 1 1.372 0.030 . 1 . . . . 91 ALA HB . 10099 1 1084 . 1 1 91 91 ALA HB3 H 1 1.372 0.030 . 1 . . . . 91 ALA HB . 10099 1 1085 . 1 1 91 91 ALA C C 13 175.546 0.300 . 1 . . . . 91 ALA C . 10099 1 1086 . 1 1 91 91 ALA CA C 13 50.776 0.300 . 1 . . . . 91 ALA CA . 10099 1 1087 . 1 1 91 91 ALA CB C 13 22.175 0.300 . 1 . . . . 91 ALA CB . 10099 1 1088 . 1 1 91 91 ALA N N 15 124.150 0.300 . 1 . . . . 91 ALA N . 10099 1 1089 . 1 1 92 92 ILE H H 1 8.483 0.030 . 1 . . . . 92 ILE H . 10099 1 1090 . 1 1 92 92 ILE HA H 1 4.744 0.030 . 1 . . . . 92 ILE HA . 10099 1 1091 . 1 1 92 92 ILE HB H 1 1.372 0.030 . 1 . . . . 92 ILE HB . 10099 1 1092 . 1 1 92 92 ILE HG12 H 1 1.333 0.030 . 2 . . . . 92 ILE HG12 . 10099 1 1093 . 1 1 92 92 ILE HG13 H 1 0.849 0.030 . 2 . . . . 92 ILE HG13 . 10099 1 1094 . 1 1 92 92 ILE HG21 H 1 0.695 0.030 . 1 . . . . 92 ILE HG2 . 10099 1 1095 . 1 1 92 92 ILE HG22 H 1 0.695 0.030 . 1 . . . . 92 ILE HG2 . 10099 1 1096 . 1 1 92 92 ILE HG23 H 1 0.695 0.030 . 1 . . . . 92 ILE HG2 . 10099 1 1097 . 1 1 92 92 ILE HD11 H 1 0.667 0.030 . 1 . . . . 92 ILE HD1 . 10099 1 1098 . 1 1 92 92 ILE HD12 H 1 0.667 0.030 . 1 . . . . 92 ILE HD1 . 10099 1 1099 . 1 1 92 92 ILE HD13 H 1 0.667 0.030 . 1 . . . . 92 ILE HD1 . 10099 1 1100 . 1 1 92 92 ILE C C 13 174.356 0.300 . 1 . . . . 92 ILE C . 10099 1 1101 . 1 1 92 92 ILE CA C 13 60.052 0.300 . 1 . . . . 92 ILE CA . 10099 1 1102 . 1 1 92 92 ILE CB C 13 41.382 0.300 . 1 . . . . 92 ILE CB . 10099 1 1103 . 1 1 92 92 ILE CG1 C 13 27.955 0.300 . 1 . . . . 92 ILE CG1 . 10099 1 1104 . 1 1 92 92 ILE CG2 C 13 16.829 0.300 . 1 . . . . 92 ILE CG2 . 10099 1 1105 . 1 1 92 92 ILE CD1 C 13 14.315 0.300 . 1 . . . . 92 ILE CD1 . 10099 1 1106 . 1 1 92 92 ILE N N 15 119.566 0.300 . 1 . . . . 92 ILE N . 10099 1 1107 . 1 1 93 93 ASN H H 1 8.826 0.030 . 1 . . . . 93 ASN H . 10099 1 1108 . 1 1 93 93 ASN HA H 1 4.964 0.030 . 1 . . . . 93 ASN HA . 10099 1 1109 . 1 1 93 93 ASN HB2 H 1 3.405 0.030 . 2 . . . . 93 ASN HB2 . 10099 1 1110 . 1 1 93 93 ASN HB3 H 1 2.756 0.030 . 2 . . . . 93 ASN HB3 . 10099 1 1111 . 1 1 93 93 ASN HD21 H 1 7.159 0.030 . 2 . . . . 93 ASN HD21 . 10099 1 1112 . 1 1 93 93 ASN HD22 H 1 7.411 0.030 . 2 . . . . 93 ASN HD22 . 10099 1 1113 . 1 1 93 93 ASN C C 13 174.089 0.300 . 1 . . . . 93 ASN C . 10099 1 1114 . 1 1 93 93 ASN CA C 13 51.517 0.300 . 1 . . . . 93 ASN CA . 10099 1 1115 . 1 1 93 93 ASN CB C 13 40.146 0.300 . 1 . . . . 93 ASN CB . 10099 1 1116 . 1 1 93 93 ASN N N 15 127.592 0.300 . 1 . . . . 93 ASN N . 10099 1 1117 . 1 1 93 93 ASN ND2 N 15 110.666 0.300 . 1 . . . . 93 ASN ND2 . 10099 1 1118 . 1 1 94 94 PRO HA H 1 4.256 0.030 . 1 . . . . 94 PRO HA . 10099 1 1119 . 1 1 94 94 PRO HB2 H 1 2.440 0.030 . 2 . . . . 94 PRO HB2 . 10099 1 1120 . 1 1 94 94 PRO HB3 H 1 1.694 0.030 . 2 . . . . 94 PRO HB3 . 10099 1 1121 . 1 1 94 94 PRO HG2 H 1 1.965 0.030 . 2 . . . . 94 PRO HG2 . 10099 1 1122 . 1 1 94 94 PRO HG3 H 1 2.110 0.030 . 2 . . . . 94 PRO HG3 . 10099 1 1123 . 1 1 94 94 PRO HD2 H 1 3.368 0.030 . 2 . . . . 94 PRO HD2 . 10099 1 1124 . 1 1 94 94 PRO HD3 H 1 3.857 0.030 . 2 . . . . 94 PRO HD3 . 10099 1 1125 . 1 1 94 94 PRO CA C 13 65.827 0.300 . 1 . . . . 94 PRO CA . 10099 1 1126 . 1 1 94 94 PRO CB C 13 32.066 0.300 . 1 . . . . 94 PRO CB . 10099 1 1127 . 1 1 94 94 PRO CG C 13 28.149 0.300 . 1 . . . . 94 PRO CG . 10099 1 1128 . 1 1 94 94 PRO CD C 13 51.409 0.300 . 1 . . . . 94 PRO CD . 10099 1 1129 . 1 1 95 95 GLN H H 1 7.996 0.030 . 1 . . . . 95 GLN H . 10099 1 1130 . 1 1 95 95 GLN HA H 1 4.294 0.030 . 1 . . . . 95 GLN HA . 10099 1 1131 . 1 1 95 95 GLN HB2 H 1 2.056 0.030 . 1 . . . . 95 GLN HB2 . 10099 1 1132 . 1 1 95 95 GLN HB3 H 1 2.056 0.030 . 1 . . . . 95 GLN HB3 . 10099 1 1133 . 1 1 95 95 GLN HG2 H 1 2.231 0.030 . 1 . . . . 95 GLN HG2 . 10099 1 1134 . 1 1 95 95 GLN HG3 H 1 2.231 0.030 . 1 . . . . 95 GLN HG3 . 10099 1 1135 . 1 1 95 95 GLN HE21 H 1 7.404 0.030 . 2 . . . . 95 GLN HE21 . 10099 1 1136 . 1 1 95 95 GLN HE22 H 1 6.671 0.030 . 2 . . . . 95 GLN HE22 . 10099 1 1137 . 1 1 95 95 GLN C C 13 175.886 0.300 . 1 . . . . 95 GLN C . 10099 1 1138 . 1 1 95 95 GLN CA C 13 56.314 0.300 . 1 . . . . 95 GLN CA . 10099 1 1139 . 1 1 95 95 GLN CB C 13 29.590 0.300 . 1 . . . . 95 GLN CB . 10099 1 1140 . 1 1 95 95 GLN CG C 13 34.916 0.300 . 1 . . . . 95 GLN CG . 10099 1 1141 . 1 1 95 95 GLN N N 15 113.096 0.300 . 1 . . . . 95 GLN N . 10099 1 1142 . 1 1 95 95 GLN NE2 N 15 111.104 0.300 . 1 . . . . 95 GLN NE2 . 10099 1 1143 . 1 1 96 96 GLY H H 1 7.833 0.030 . 1 . . . . 96 GLY H . 10099 1 1144 . 1 1 96 96 GLY HA2 H 1 4.296 0.030 . 2 . . . . 96 GLY HA2 . 10099 1 1145 . 1 1 96 96 GLY HA3 H 1 3.743 0.030 . 2 . . . . 96 GLY HA3 . 10099 1 1146 . 1 1 96 96 GLY C C 13 169.863 0.300 . 1 . . . . 96 GLY C . 10099 1 1147 . 1 1 96 96 GLY CA C 13 45.527 0.300 . 1 . . . . 96 GLY CA . 10099 1 1148 . 1 1 96 96 GLY N N 15 108.020 0.300 . 1 . . . . 96 GLY N . 10099 1 1149 . 1 1 97 97 LEU H H 1 7.973 0.030 . 1 . . . . 97 LEU H . 10099 1 1150 . 1 1 97 97 LEU HA H 1 5.085 0.030 . 1 . . . . 97 LEU HA . 10099 1 1151 . 1 1 97 97 LEU HB2 H 1 1.551 0.030 . 2 . . . . 97 LEU HB2 . 10099 1 1152 . 1 1 97 97 LEU HB3 H 1 1.512 0.030 . 2 . . . . 97 LEU HB3 . 10099 1 1153 . 1 1 97 97 LEU HG H 1 1.685 0.030 . 1 . . . . 97 LEU HG . 10099 1 1154 . 1 1 97 97 LEU HD11 H 1 0.816 0.030 . 1 . . . . 97 LEU HD1 . 10099 1 1155 . 1 1 97 97 LEU HD12 H 1 0.816 0.030 . 1 . . . . 97 LEU HD1 . 10099 1 1156 . 1 1 97 97 LEU HD13 H 1 0.816 0.030 . 1 . . . . 97 LEU HD1 . 10099 1 1157 . 1 1 97 97 LEU HD21 H 1 0.787 0.030 . 1 . . . . 97 LEU HD2 . 10099 1 1158 . 1 1 97 97 LEU HD22 H 1 0.787 0.030 . 1 . . . . 97 LEU HD2 . 10099 1 1159 . 1 1 97 97 LEU HD23 H 1 0.787 0.030 . 1 . . . . 97 LEU HD2 . 10099 1 1160 . 1 1 97 97 LEU C C 13 177.465 0.300 . 1 . . . . 97 LEU C . 10099 1 1161 . 1 1 97 97 LEU CA C 13 53.386 0.300 . 1 . . . . 97 LEU CA . 10099 1 1162 . 1 1 97 97 LEU CB C 13 45.179 0.300 . 1 . . . . 97 LEU CB . 10099 1 1163 . 1 1 97 97 LEU CG C 13 27.382 0.300 . 1 . . . . 97 LEU CG . 10099 1 1164 . 1 1 97 97 LEU CD1 C 13 25.246 0.300 . 2 . . . . 97 LEU CD1 . 10099 1 1165 . 1 1 97 97 LEU CD2 C 13 25.709 0.300 . 2 . . . . 97 LEU CD2 . 10099 1 1166 . 1 1 97 97 LEU N N 15 120.194 0.300 . 1 . . . . 97 LEU N . 10099 1 1167 . 1 1 98 98 SER H H 1 9.157 0.030 . 1 . . . . 98 SER H . 10099 1 1168 . 1 1 98 98 SER HA H 1 4.380 0.030 . 1 . . . . 98 SER HA . 10099 1 1169 . 1 1 98 98 SER HB2 H 1 4.130 0.030 . 2 . . . . 98 SER HB2 . 10099 1 1170 . 1 1 98 98 SER HB3 H 1 3.615 0.030 . 2 . . . . 98 SER HB3 . 10099 1 1171 . 1 1 98 98 SER C C 13 174.721 0.300 . 1 . . . . 98 SER C . 10099 1 1172 . 1 1 98 98 SER CA C 13 58.297 0.300 . 1 . . . . 98 SER CA . 10099 1 1173 . 1 1 98 98 SER CB C 13 67.022 0.300 . 1 . . . . 98 SER CB . 10099 1 1174 . 1 1 98 98 SER N N 15 117.856 0.300 . 1 . . . . 98 SER N . 10099 1 1175 . 1 1 99 99 ASP H H 1 8.990 0.030 . 1 . . . . 99 ASP H . 10099 1 1176 . 1 1 99 99 ASP HA H 1 4.703 0.030 . 1 . . . . 99 ASP HA . 10099 1 1177 . 1 1 99 99 ASP HB2 H 1 2.383 0.030 . 2 . . . . 99 ASP HB2 . 10099 1 1178 . 1 1 99 99 ASP HB3 H 1 2.843 0.030 . 2 . . . . 99 ASP HB3 . 10099 1 1179 . 1 1 99 99 ASP CA C 13 53.915 0.300 . 1 . . . . 99 ASP CA . 10099 1 1180 . 1 1 99 99 ASP CB C 13 39.093 0.300 . 1 . . . . 99 ASP CB . 10099 1 1181 . 1 1 99 99 ASP N N 15 121.102 0.300 . 1 . . . . 99 ASP N . 10099 1 1182 . 1 1 100 100 PRO HA H 1 4.466 0.030 . 1 . . . . 100 PRO HA . 10099 1 1183 . 1 1 100 100 PRO HB2 H 1 2.283 0.030 . 2 . . . . 100 PRO HB2 . 10099 1 1184 . 1 1 100 100 PRO HB3 H 1 1.788 0.030 . 2 . . . . 100 PRO HB3 . 10099 1 1185 . 1 1 100 100 PRO HG2 H 1 1.904 0.030 . 2 . . . . 100 PRO HG2 . 10099 1 1186 . 1 1 100 100 PRO HG3 H 1 1.662 0.030 . 2 . . . . 100 PRO HG3 . 10099 1 1187 . 1 1 100 100 PRO HD2 H 1 3.574 0.030 . 1 . . . . 100 PRO HD2 . 10099 1 1188 . 1 1 100 100 PRO HD3 H 1 3.574 0.030 . 1 . . . . 100 PRO HD3 . 10099 1 1189 . 1 1 100 100 PRO CA C 13 63.025 0.300 . 1 . . . . 100 PRO CA . 10099 1 1190 . 1 1 100 100 PRO CB C 13 32.195 0.300 . 1 . . . . 100 PRO CB . 10099 1 1191 . 1 1 100 100 PRO CG C 13 27.085 0.300 . 1 . . . . 100 PRO CG . 10099 1 1192 . 1 1 100 100 PRO CD C 13 49.627 0.300 . 1 . . . . 100 PRO CD . 10099 1 1193 . 1 1 101 101 SER H H 1 8.524 0.030 . 1 . . . . 101 SER H . 10099 1 1194 . 1 1 101 101 SER HA H 1 4.574 0.030 . 1 . . . . 101 SER HA . 10099 1 1195 . 1 1 101 101 SER HB2 H 1 4.144 0.030 . 2 . . . . 101 SER HB2 . 10099 1 1196 . 1 1 101 101 SER HB3 H 1 3.483 0.030 . 2 . . . . 101 SER HB3 . 10099 1 1197 . 1 1 101 101 SER CA C 13 57.379 0.300 . 1 . . . . 101 SER CA . 10099 1 1198 . 1 1 101 101 SER CB C 13 63.869 0.300 . 1 . . . . 101 SER CB . 10099 1 1199 . 1 1 101 101 SER N N 15 115.592 0.300 . 1 . . . . 101 SER N . 10099 1 1200 . 1 1 102 102 PRO HA H 1 4.521 0.030 . 1 . . . . 102 PRO HA . 10099 1 1201 . 1 1 102 102 PRO HB2 H 1 2.560 0.030 . 2 . . . . 102 PRO HB2 . 10099 1 1202 . 1 1 102 102 PRO HB3 H 1 1.497 0.030 . 2 . . . . 102 PRO HB3 . 10099 1 1203 . 1 1 102 102 PRO HG2 H 1 2.130 0.030 . 2 . . . . 102 PRO HG2 . 10099 1 1204 . 1 1 102 102 PRO HG3 H 1 2.084 0.030 . 2 . . . . 102 PRO HG3 . 10099 1 1205 . 1 1 102 102 PRO HD2 H 1 3.978 0.030 . 2 . . . . 102 PRO HD2 . 10099 1 1206 . 1 1 102 102 PRO HD3 H 1 3.427 0.030 . 2 . . . . 102 PRO HD3 . 10099 1 1207 . 1 1 102 102 PRO CA C 13 63.190 0.300 . 1 . . . . 102 PRO CA . 10099 1 1208 . 1 1 102 102 PRO CB C 13 31.922 0.300 . 1 . . . . 102 PRO CB . 10099 1 1209 . 1 1 102 102 PRO CG C 13 28.403 0.300 . 1 . . . . 102 PRO CG . 10099 1 1210 . 1 1 102 102 PRO CD C 13 50.270 0.300 . 1 . . . . 102 PRO CD . 10099 1 1211 . 1 1 103 103 MET H H 1 8.436 0.030 . 1 . . . . 103 MET H . 10099 1 1212 . 1 1 103 103 MET HA H 1 4.672 0.030 . 1 . . . . 103 MET HA . 10099 1 1213 . 1 1 103 103 MET HB2 H 1 2.274 0.030 . 2 . . . . 103 MET HB2 . 10099 1 1214 . 1 1 103 103 MET HB3 H 1 2.154 0.030 . 2 . . . . 103 MET HB3 . 10099 1 1215 . 1 1 103 103 MET HG2 H 1 2.782 0.030 . 2 . . . . 103 MET HG2 . 10099 1 1216 . 1 1 103 103 MET HG3 H 1 2.689 0.030 . 2 . . . . 103 MET HG3 . 10099 1 1217 . 1 1 103 103 MET HE1 H 1 2.138 0.030 . 1 . . . . 103 MET HE . 10099 1 1218 . 1 1 103 103 MET HE2 H 1 2.138 0.030 . 1 . . . . 103 MET HE . 10099 1 1219 . 1 1 103 103 MET HE3 H 1 2.138 0.030 . 1 . . . . 103 MET HE . 10099 1 1220 . 1 1 103 103 MET CA C 13 56.384 0.300 . 1 . . . . 103 MET CA . 10099 1 1221 . 1 1 103 103 MET CB C 13 34.458 0.300 . 1 . . . . 103 MET CB . 10099 1 1222 . 1 1 103 103 MET CG C 13 32.525 0.300 . 1 . . . . 103 MET CG . 10099 1 1223 . 1 1 103 103 MET CE C 13 17.343 0.300 . 1 . . . . 103 MET CE . 10099 1 1224 . 1 1 103 103 MET N N 15 122.311 0.300 . 1 . . . . 103 MET N . 10099 1 1225 . 1 1 104 104 SER H H 1 9.316 0.030 . 1 . . . . 104 SER H . 10099 1 1226 . 1 1 104 104 SER HA H 1 4.248 0.030 . 1 . . . . 104 SER HA . 10099 1 1227 . 1 1 104 104 SER HB2 H 1 4.564 0.030 . 2 . . . . 104 SER HB2 . 10099 1 1228 . 1 1 104 104 SER HB3 H 1 3.982 0.030 . 2 . . . . 104 SER HB3 . 10099 1 1229 . 1 1 104 104 SER C C 13 173.555 0.300 . 1 . . . . 104 SER C . 10099 1 1230 . 1 1 104 104 SER CA C 13 58.880 0.300 . 1 . . . . 104 SER CA . 10099 1 1231 . 1 1 104 104 SER CB C 13 65.205 0.300 . 1 . . . . 104 SER CB . 10099 1 1232 . 1 1 104 104 SER N N 15 114.655 0.300 . 1 . . . . 104 SER N . 10099 1 1233 . 1 1 105 105 ASP H H 1 8.803 0.030 . 1 . . . . 105 ASP H . 10099 1 1234 . 1 1 105 105 ASP HA H 1 4.893 0.030 . 1 . . . . 105 ASP HA . 10099 1 1235 . 1 1 105 105 ASP HB2 H 1 2.511 0.030 . 2 . . . . 105 ASP HB2 . 10099 1 1236 . 1 1 105 105 ASP HB3 H 1 2.892 0.030 . 2 . . . . 105 ASP HB3 . 10099 1 1237 . 1 1 105 105 ASP C C 13 174.793 0.300 . 1 . . . . 105 ASP C . 10099 1 1238 . 1 1 105 105 ASP CA C 13 54.162 0.300 . 1 . . . . 105 ASP CA . 10099 1 1239 . 1 1 105 105 ASP CB C 13 39.033 0.300 . 1 . . . . 105 ASP CB . 10099 1 1240 . 1 1 105 105 ASP N N 15 119.669 0.300 . 1 . . . . 105 ASP N . 10099 1 1241 . 1 1 106 106 PRO HA H 1 4.719 0.030 . 1 . . . . 106 PRO HA . 10099 1 1242 . 1 1 106 106 PRO HB2 H 1 2.105 0.030 . 2 . . . . 106 PRO HB2 . 10099 1 1243 . 1 1 106 106 PRO HB3 H 1 1.844 0.030 . 2 . . . . 106 PRO HB3 . 10099 1 1244 . 1 1 106 106 PRO HG2 H 1 2.193 0.030 . 2 . . . . 106 PRO HG2 . 10099 1 1245 . 1 1 106 106 PRO HG3 H 1 2.074 0.030 . 2 . . . . 106 PRO HG3 . 10099 1 1246 . 1 1 106 106 PRO HD2 H 1 3.756 0.030 . 2 . . . . 106 PRO HD2 . 10099 1 1247 . 1 1 106 106 PRO HD3 H 1 3.912 0.030 . 2 . . . . 106 PRO HD3 . 10099 1 1248 . 1 1 106 106 PRO CA C 13 63.272 0.300 . 1 . . . . 106 PRO CA . 10099 1 1249 . 1 1 106 106 PRO CB C 13 31.608 0.300 . 1 . . . . 106 PRO CB . 10099 1 1250 . 1 1 106 106 PRO CG C 13 27.579 0.300 . 1 . . . . 106 PRO CG . 10099 1 1251 . 1 1 106 106 PRO CD C 13 49.920 0.300 . 1 . . . . 106 PRO CD . 10099 1 1252 . 1 1 107 107 VAL H H 1 8.995 0.030 . 1 . . . . 107 VAL H . 10099 1 1253 . 1 1 107 107 VAL HA H 1 4.577 0.030 . 1 . . . . 107 VAL HA . 10099 1 1254 . 1 1 107 107 VAL HB H 1 2.279 0.030 . 1 . . . . 107 VAL HB . 10099 1 1255 . 1 1 107 107 VAL HG11 H 1 1.204 0.030 . 1 . . . . 107 VAL HG1 . 10099 1 1256 . 1 1 107 107 VAL HG12 H 1 1.204 0.030 . 1 . . . . 107 VAL HG1 . 10099 1 1257 . 1 1 107 107 VAL HG13 H 1 1.204 0.030 . 1 . . . . 107 VAL HG1 . 10099 1 1258 . 1 1 107 107 VAL HG21 H 1 1.204 0.030 . 1 . . . . 107 VAL HG2 . 10099 1 1259 . 1 1 107 107 VAL HG22 H 1 1.204 0.030 . 1 . . . . 107 VAL HG2 . 10099 1 1260 . 1 1 107 107 VAL HG23 H 1 1.204 0.030 . 1 . . . . 107 VAL HG2 . 10099 1 1261 . 1 1 107 107 VAL C C 13 172.243 0.300 . 1 . . . . 107 VAL C . 10099 1 1262 . 1 1 107 107 VAL CA C 13 60.050 0.300 . 1 . . . . 107 VAL CA . 10099 1 1263 . 1 1 107 107 VAL CB C 13 35.259 0.300 . 1 . . . . 107 VAL CB . 10099 1 1264 . 1 1 107 107 VAL CG1 C 13 21.388 0.300 . 1 . . . . 107 VAL CG1 . 10099 1 1265 . 1 1 107 107 VAL CG2 C 13 21.388 0.300 . 1 . . . . 107 VAL CG2 . 10099 1 1266 . 1 1 107 107 VAL N N 15 122.590 0.300 . 1 . . . . 107 VAL N . 10099 1 1267 . 1 1 108 108 ARG H H 1 8.421 0.030 . 1 . . . . 108 ARG H . 10099 1 1268 . 1 1 108 108 ARG HA H 1 5.294 0.030 . 1 . . . . 108 ARG HA . 10099 1 1269 . 1 1 108 108 ARG HB2 H 1 1.775 0.030 . 2 . . . . 108 ARG HB2 . 10099 1 1270 . 1 1 108 108 ARG HB3 H 1 1.517 0.030 . 2 . . . . 108 ARG HB3 . 10099 1 1271 . 1 1 108 108 ARG HG2 H 1 1.109 0.030 . 2 . . . . 108 ARG HG2 . 10099 1 1272 . 1 1 108 108 ARG HG3 H 1 1.754 0.030 . 2 . . . . 108 ARG HG3 . 10099 1 1273 . 1 1 108 108 ARG HD2 H 1 3.051 0.030 . 2 . . . . 108 ARG HD2 . 10099 1 1274 . 1 1 108 108 ARG HD3 H 1 3.155 0.030 . 2 . . . . 108 ARG HD3 . 10099 1 1275 . 1 1 108 108 ARG HE H 1 7.031 0.030 . 1 . . . . 108 ARG HE . 10099 1 1276 . 1 1 108 108 ARG C C 13 176.979 0.300 . 1 . . . . 108 ARG C . 10099 1 1277 . 1 1 108 108 ARG CA C 13 53.457 0.300 . 1 . . . . 108 ARG CA . 10099 1 1278 . 1 1 108 108 ARG CB C 13 32.809 0.300 . 1 . . . . 108 ARG CB . 10099 1 1279 . 1 1 108 108 ARG CG C 13 27.479 0.300 . 1 . . . . 108 ARG CG . 10099 1 1280 . 1 1 108 108 ARG CD C 13 43.571 0.300 . 1 . . . . 108 ARG CD . 10099 1 1281 . 1 1 108 108 ARG N N 15 127.469 0.300 . 1 . . . . 108 ARG N . 10099 1 1282 . 1 1 108 108 ARG NE N 15 127.395 0.300 . 1 . . . . 108 ARG NE . 10099 1 1283 . 1 1 109 109 THR H H 1 9.052 0.030 . 1 . . . . 109 THR H . 10099 1 1284 . 1 1 109 109 THR HA H 1 4.154 0.030 . 1 . . . . 109 THR HA . 10099 1 1285 . 1 1 109 109 THR HB H 1 4.728 0.030 . 1 . . . . 109 THR HB . 10099 1 1286 . 1 1 109 109 THR HG21 H 1 1.216 0.030 . 1 . . . . 109 THR HG2 . 10099 1 1287 . 1 1 109 109 THR HG22 H 1 1.216 0.030 . 1 . . . . 109 THR HG2 . 10099 1 1288 . 1 1 109 109 THR HG23 H 1 1.216 0.030 . 1 . . . . 109 THR HG2 . 10099 1 1289 . 1 1 109 109 THR C C 13 175.571 0.300 . 1 . . . . 109 THR C . 10099 1 1290 . 1 1 109 109 THR CA C 13 61.573 0.300 . 1 . . . . 109 THR CA . 10099 1 1291 . 1 1 109 109 THR CB C 13 68.604 0.300 . 1 . . . . 109 THR CB . 10099 1 1292 . 1 1 109 109 THR CG2 C 13 24.117 0.300 . 1 . . . . 109 THR CG2 . 10099 1 1293 . 1 1 109 109 THR N N 15 117.523 0.300 . 1 . . . . 109 THR N . 10099 1 1294 . 1 1 110 110 GLN H H 1 7.172 0.030 . 1 . . . . 110 GLN H . 10099 1 1295 . 1 1 110 110 GLN HA H 1 4.290 0.030 . 1 . . . . 110 GLN HA . 10099 1 1296 . 1 1 110 110 GLN HB2 H 1 2.262 0.030 . 2 . . . . 110 GLN HB2 . 10099 1 1297 . 1 1 110 110 GLN HB3 H 1 1.667 0.030 . 2 . . . . 110 GLN HB3 . 10099 1 1298 . 1 1 110 110 GLN HG2 H 1 2.243 0.030 . 2 . . . . 110 GLN HG2 . 10099 1 1299 . 1 1 110 110 GLN HG3 H 1 2.383 0.030 . 2 . . . . 110 GLN HG3 . 10099 1 1300 . 1 1 110 110 GLN HE21 H 1 6.843 0.030 . 2 . . . . 110 GLN HE21 . 10099 1 1301 . 1 1 110 110 GLN HE22 H 1 7.484 0.030 . 2 . . . . 110 GLN HE22 . 10099 1 1302 . 1 1 110 110 GLN C C 13 174.696 0.300 . 1 . . . . 110 GLN C . 10099 1 1303 . 1 1 110 110 GLN CA C 13 55.639 0.300 . 1 . . . . 110 GLN CA . 10099 1 1304 . 1 1 110 110 GLN CB C 13 29.959 0.300 . 1 . . . . 110 GLN CB . 10099 1 1305 . 1 1 110 110 GLN CG C 13 33.709 0.300 . 1 . . . . 110 GLN CG . 10099 1 1306 . 1 1 110 110 GLN N N 15 119.019 0.300 . 1 . . . . 110 GLN N . 10099 1 1307 . 1 1 110 110 GLN NE2 N 15 111.709 0.300 . 1 . . . . 110 GLN NE2 . 10099 1 1308 . 1 1 111 111 ASP H H 1 8.397 0.030 . 1 . . . . 111 ASP H . 10099 1 1309 . 1 1 111 111 ASP HA H 1 4.743 0.030 . 1 . . . . 111 ASP HA . 10099 1 1310 . 1 1 111 111 ASP HB2 H 1 2.724 0.030 . 2 . . . . 111 ASP HB2 . 10099 1 1311 . 1 1 111 111 ASP HB3 H 1 2.643 0.030 . 2 . . . . 111 ASP HB3 . 10099 1 1312 . 1 1 111 111 ASP C C 13 176.275 0.300 . 1 . . . . 111 ASP C . 10099 1 1313 . 1 1 111 111 ASP CA C 13 53.880 0.300 . 1 . . . . 111 ASP CA . 10099 1 1314 . 1 1 111 111 ASP CB C 13 42.089 0.300 . 1 . . . . 111 ASP CB . 10099 1 1315 . 1 1 111 111 ASP N N 15 118.999 0.300 . 1 . . . . 111 ASP N . 10099 1 1316 . 1 1 112 112 SER H H 1 8.514 0.030 . 1 . . . . 112 SER H . 10099 1 1317 . 1 1 112 112 SER HA H 1 4.399 0.030 . 1 . . . . 112 SER HA . 10099 1 1318 . 1 1 112 112 SER HB2 H 1 3.924 0.030 . 2 . . . . 112 SER HB2 . 10099 1 1319 . 1 1 112 112 SER HB3 H 1 3.847 0.030 . 2 . . . . 112 SER HB3 . 10099 1 1320 . 1 1 112 112 SER C C 13 174.745 0.300 . 1 . . . . 112 SER C . 10099 1 1321 . 1 1 112 112 SER CA C 13 58.642 0.300 . 1 . . . . 112 SER CA . 10099 1 1322 . 1 1 112 112 SER CB C 13 64.133 0.300 . 1 . . . . 112 SER CB . 10099 1 1323 . 1 1 112 112 SER N N 15 115.530 0.300 . 1 . . . . 112 SER N . 10099 1 1324 . 1 1 113 113 GLY H H 1 8.253 0.030 . 1 . . . . 113 GLY H . 10099 1 1325 . 1 1 113 113 GLY HA2 H 1 4.153 0.030 . 1 . . . . 113 GLY HA2 . 10099 1 1326 . 1 1 113 113 GLY HA3 H 1 4.153 0.030 . 1 . . . . 113 GLY HA3 . 10099 1 1327 . 1 1 113 113 GLY C C 13 171.830 0.300 . 1 . . . . 113 GLY C . 10099 1 1328 . 1 1 113 113 GLY CA C 13 44.710 0.300 . 1 . . . . 113 GLY CA . 10099 1 1329 . 1 1 113 113 GLY N N 15 110.543 0.300 . 1 . . . . 113 GLY N . 10099 1 1330 . 1 1 114 114 PRO HA H 1 4.505 0.030 . 1 . . . . 114 PRO HA . 10099 1 1331 . 1 1 114 114 PRO HB2 H 1 2.322 0.030 . 2 . . . . 114 PRO HB2 . 10099 1 1332 . 1 1 114 114 PRO HB3 H 1 1.990 0.030 . 2 . . . . 114 PRO HB3 . 10099 1 1333 . 1 1 114 114 PRO HD2 H 1 3.639 0.030 . 1 . . . . 114 PRO HD2 . 10099 1 1334 . 1 1 114 114 PRO HD3 H 1 3.639 0.030 . 1 . . . . 114 PRO HD3 . 10099 1 1335 . 1 1 114 114 PRO CA C 13 63.272 0.300 . 1 . . . . 114 PRO CA . 10099 1 1336 . 1 1 114 114 PRO CB C 13 32.278 0.300 . 1 . . . . 114 PRO CB . 10099 1 1337 . 1 1 114 114 PRO CG C 13 27.167 0.300 . 1 . . . . 114 PRO CG . 10099 1 1338 . 1 1 114 114 PRO CD C 13 49.753 0.300 . 1 . . . . 114 PRO CD . 10099 1 1339 . 1 1 115 115 SER H H 1 8.538 0.030 . 1 . . . . 115 SER H . 10099 1 1340 . 1 1 115 115 SER HA H 1 4.529 0.030 . 1 . . . . 115 SER HA . 10099 1 1341 . 1 1 115 115 SER HB2 H 1 3.912 0.030 . 1 . . . . 115 SER HB2 . 10099 1 1342 . 1 1 115 115 SER HB3 H 1 3.912 0.030 . 1 . . . . 115 SER HB3 . 10099 1 1343 . 1 1 115 115 SER C C 13 174.648 0.300 . 1 . . . . 115 SER C . 10099 1 1344 . 1 1 115 115 SER CA C 13 58.395 0.300 . 1 . . . . 115 SER CA . 10099 1 1345 . 1 1 115 115 SER CB C 13 63.886 0.300 . 1 . . . . 115 SER CB . 10099 1 1346 . 1 1 115 115 SER N N 15 116.516 0.300 . 1 . . . . 115 SER N . 10099 1 1347 . 1 1 116 116 SER H H 1 8.350 0.030 . 1 . . . . 116 SER H . 10099 1 1348 . 1 1 116 116 SER HA H 1 4.505 0.030 . 1 . . . . 116 SER HA . 10099 1 1349 . 1 1 116 116 SER HB2 H 1 3.888 0.030 . 1 . . . . 116 SER HB2 . 10099 1 1350 . 1 1 116 116 SER HB3 H 1 3.888 0.030 . 1 . . . . 116 SER HB3 . 10099 1 1351 . 1 1 116 116 SER C C 13 173.968 0.300 . 1 . . . . 116 SER C . 10099 1 1352 . 1 1 116 116 SER CA C 13 58.359 0.300 . 1 . . . . 116 SER CA . 10099 1 1353 . 1 1 116 116 SER CB C 13 64.394 0.300 . 1 . . . . 116 SER CB . 10099 1 1354 . 1 1 116 116 SER N N 15 117.898 0.300 . 1 . . . . 116 SER N . 10099 1 1355 . 1 1 117 117 GLY H H 1 8.066 0.030 . 1 . . . . 117 GLY H . 10099 1 1356 . 1 1 117 117 GLY HA2 H 1 3.774 0.030 . 1 . . . . 117 GLY HA2 . 10099 1 1357 . 1 1 117 117 GLY HA3 H 1 3.774 0.030 . 1 . . . . 117 GLY HA3 . 10099 1 1358 . 1 1 117 117 GLY CA C 13 46.226 0.300 . 1 . . . . 117 GLY CA . 10099 1 1359 . 1 1 117 117 GLY N N 15 116.927 0.300 . 1 . . . . 117 GLY N . 10099 1 stop_ save_