data_10300 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10300 _Entry.Title ; Solution structures of the fn3 domain of human Proto-oncogene tyrosine-protein kinase MER precursor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-24 _Entry.Accession_date 2008-12-24 _Entry.Last_release_date 2010-01-11 _Entry.Original_release_date 2010-01-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10300 2 N. Tochio . . . 10300 3 S. Koshiba . . . 10300 4 M. Inoue . . . 10300 5 T. Kigawa . . . 10300 6 S. Yokoyama . . . 10300 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10300 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10300 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 493 10300 '15N chemical shifts' 118 10300 '1H chemical shifts' 787 10300 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 . . 2010-01-11 2008-12-24 original author . 10300 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DBJ 'BMRB Entry Tracking System' 10300 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10300 _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 structures of the fn3 domain of human Proto-oncogene tyrosine-protein kinase MER precursor ; _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 M. Sato . . . 10300 1 2 N. Tochio . . . 10300 1 3 S. Koshiba . . . 10300 1 4 M. Inoue . . . 10300 1 5 T. Kigawa . . . 10300 1 6 S. Yokoyama . . . 10300 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10300 _Assembly.ID 1 _Assembly.Name 'Proto-oncogene tyrosine-protein kinase MER precursor' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number E.C.2.7.1.112 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Fibronectin type III domain' 1 $entity_1 . . yes native no no . . . 10300 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 2DBJ . . . . . . 10300 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10300 _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 ; GSSGSSGWILASTTEGAPSV APLNVTVFLNESSDNVDIRW MKPPTKQQDGELVGYRISHV WQSAGISKELLEEVGQNGSR ARISVQVHNATCTVRIAAVT RGGVGPFSDPVKIFIPAHSG PSSG ; _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 124 _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 2DBJ . "Solution Structures Of The Fn3 Domain Of Human Proto- Oncogene Tyrosine-Protein Kinase Mer Precursor" . . . . . 100.00 124 100.00 100.00 8.45e-83 . . . . 10300 1 2 no REF XP_011508793 . "PREDICTED: tyrosine-protein kinase Mer isoform X4 [Homo sapiens]" . . . . . 62.90 594 100.00 100.00 5.22e-45 . . . . 10300 1 3 no REF XP_014199407 . "PREDICTED: tyrosine-protein kinase Mer [Pan paniscus]" . . . . . 82.26 898 99.02 100.00 4.12e-61 . . . . 10300 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' . 10300 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 . 10300 1 2 . SER . 10300 1 3 . SER . 10300 1 4 . GLY . 10300 1 5 . SER . 10300 1 6 . SER . 10300 1 7 . GLY . 10300 1 8 . TRP . 10300 1 9 . ILE . 10300 1 10 . LEU . 10300 1 11 . ALA . 10300 1 12 . SER . 10300 1 13 . THR . 10300 1 14 . THR . 10300 1 15 . GLU . 10300 1 16 . GLY . 10300 1 17 . ALA . 10300 1 18 . PRO . 10300 1 19 . SER . 10300 1 20 . VAL . 10300 1 21 . ALA . 10300 1 22 . PRO . 10300 1 23 . LEU . 10300 1 24 . ASN . 10300 1 25 . VAL . 10300 1 26 . THR . 10300 1 27 . VAL . 10300 1 28 . PHE . 10300 1 29 . LEU . 10300 1 30 . ASN . 10300 1 31 . GLU . 10300 1 32 . SER . 10300 1 33 . SER . 10300 1 34 . ASP . 10300 1 35 . ASN . 10300 1 36 . VAL . 10300 1 37 . ASP . 10300 1 38 . ILE . 10300 1 39 . ARG . 10300 1 40 . TRP . 10300 1 41 . MET . 10300 1 42 . LYS . 10300 1 43 . PRO . 10300 1 44 . PRO . 10300 1 45 . THR . 10300 1 46 . LYS . 10300 1 47 . GLN . 10300 1 48 . GLN . 10300 1 49 . ASP . 10300 1 50 . GLY . 10300 1 51 . GLU . 10300 1 52 . LEU . 10300 1 53 . VAL . 10300 1 54 . GLY . 10300 1 55 . TYR . 10300 1 56 . ARG . 10300 1 57 . ILE . 10300 1 58 . SER . 10300 1 59 . HIS . 10300 1 60 . VAL . 10300 1 61 . TRP . 10300 1 62 . GLN . 10300 1 63 . SER . 10300 1 64 . ALA . 10300 1 65 . GLY . 10300 1 66 . ILE . 10300 1 67 . SER . 10300 1 68 . LYS . 10300 1 69 . GLU . 10300 1 70 . LEU . 10300 1 71 . LEU . 10300 1 72 . GLU . 10300 1 73 . GLU . 10300 1 74 . VAL . 10300 1 75 . GLY . 10300 1 76 . GLN . 10300 1 77 . ASN . 10300 1 78 . GLY . 10300 1 79 . SER . 10300 1 80 . ARG . 10300 1 81 . ALA . 10300 1 82 . ARG . 10300 1 83 . ILE . 10300 1 84 . SER . 10300 1 85 . VAL . 10300 1 86 . GLN . 10300 1 87 . VAL . 10300 1 88 . HIS . 10300 1 89 . ASN . 10300 1 90 . ALA . 10300 1 91 . THR . 10300 1 92 . CYS . 10300 1 93 . THR . 10300 1 94 . VAL . 10300 1 95 . ARG . 10300 1 96 . ILE . 10300 1 97 . ALA . 10300 1 98 . ALA . 10300 1 99 . VAL . 10300 1 100 . THR . 10300 1 101 . ARG . 10300 1 102 . GLY . 10300 1 103 . GLY . 10300 1 104 . VAL . 10300 1 105 . GLY . 10300 1 106 . PRO . 10300 1 107 . PHE . 10300 1 108 . SER . 10300 1 109 . ASP . 10300 1 110 . PRO . 10300 1 111 . VAL . 10300 1 112 . LYS . 10300 1 113 . ILE . 10300 1 114 . PHE . 10300 1 115 . ILE . 10300 1 116 . PRO . 10300 1 117 . ALA . 10300 1 118 . HIS . 10300 1 119 . SER . 10300 1 120 . GLY . 10300 1 121 . PRO . 10300 1 122 . SER . 10300 1 123 . SER . 10300 1 124 . GLY . 10300 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 10300 1 . SER 2 2 10300 1 . SER 3 3 10300 1 . GLY 4 4 10300 1 . SER 5 5 10300 1 . SER 6 6 10300 1 . GLY 7 7 10300 1 . TRP 8 8 10300 1 . ILE 9 9 10300 1 . LEU 10 10 10300 1 . ALA 11 11 10300 1 . SER 12 12 10300 1 . THR 13 13 10300 1 . THR 14 14 10300 1 . GLU 15 15 10300 1 . GLY 16 16 10300 1 . ALA 17 17 10300 1 . PRO 18 18 10300 1 . SER 19 19 10300 1 . VAL 20 20 10300 1 . ALA 21 21 10300 1 . PRO 22 22 10300 1 . LEU 23 23 10300 1 . ASN 24 24 10300 1 . VAL 25 25 10300 1 . THR 26 26 10300 1 . VAL 27 27 10300 1 . PHE 28 28 10300 1 . LEU 29 29 10300 1 . ASN 30 30 10300 1 . GLU 31 31 10300 1 . SER 32 32 10300 1 . SER 33 33 10300 1 . ASP 34 34 10300 1 . ASN 35 35 10300 1 . VAL 36 36 10300 1 . ASP 37 37 10300 1 . ILE 38 38 10300 1 . ARG 39 39 10300 1 . TRP 40 40 10300 1 . MET 41 41 10300 1 . LYS 42 42 10300 1 . PRO 43 43 10300 1 . PRO 44 44 10300 1 . THR 45 45 10300 1 . LYS 46 46 10300 1 . GLN 47 47 10300 1 . GLN 48 48 10300 1 . ASP 49 49 10300 1 . GLY 50 50 10300 1 . GLU 51 51 10300 1 . LEU 52 52 10300 1 . VAL 53 53 10300 1 . GLY 54 54 10300 1 . TYR 55 55 10300 1 . ARG 56 56 10300 1 . ILE 57 57 10300 1 . SER 58 58 10300 1 . HIS 59 59 10300 1 . VAL 60 60 10300 1 . TRP 61 61 10300 1 . GLN 62 62 10300 1 . SER 63 63 10300 1 . ALA 64 64 10300 1 . GLY 65 65 10300 1 . ILE 66 66 10300 1 . SER 67 67 10300 1 . LYS 68 68 10300 1 . GLU 69 69 10300 1 . LEU 70 70 10300 1 . LEU 71 71 10300 1 . GLU 72 72 10300 1 . GLU 73 73 10300 1 . VAL 74 74 10300 1 . GLY 75 75 10300 1 . GLN 76 76 10300 1 . ASN 77 77 10300 1 . GLY 78 78 10300 1 . SER 79 79 10300 1 . ARG 80 80 10300 1 . ALA 81 81 10300 1 . ARG 82 82 10300 1 . ILE 83 83 10300 1 . SER 84 84 10300 1 . VAL 85 85 10300 1 . GLN 86 86 10300 1 . VAL 87 87 10300 1 . HIS 88 88 10300 1 . ASN 89 89 10300 1 . ALA 90 90 10300 1 . THR 91 91 10300 1 . CYS 92 92 10300 1 . THR 93 93 10300 1 . VAL 94 94 10300 1 . ARG 95 95 10300 1 . ILE 96 96 10300 1 . ALA 97 97 10300 1 . ALA 98 98 10300 1 . VAL 99 99 10300 1 . THR 100 100 10300 1 . ARG 101 101 10300 1 . GLY 102 102 10300 1 . GLY 103 103 10300 1 . VAL 104 104 10300 1 . GLY 105 105 10300 1 . PRO 106 106 10300 1 . PHE 107 107 10300 1 . SER 108 108 10300 1 . ASP 109 109 10300 1 . PRO 110 110 10300 1 . VAL 111 111 10300 1 . LYS 112 112 10300 1 . ILE 113 113 10300 1 . PHE 114 114 10300 1 . ILE 115 115 10300 1 . PRO 116 116 10300 1 . ALA 117 117 10300 1 . HIS 118 118 10300 1 . SER 119 119 10300 1 . GLY 120 120 10300 1 . PRO 121 121 10300 1 . SER 122 122 10300 1 . SER 123 123 10300 1 . GLY 124 124 10300 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 10300 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10300 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 10300 _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 . . P050314-04 . . . . . . 10300 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10300 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'fn3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10300 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10300 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10300 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10300 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10300 1 6 H2O . . . . . . solvent 90 . . % . . . . 10300 1 7 D2O . . . . . . solvent 10 . . % . . . . 10300 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 10300 _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 10300 1 pH 7.0 0.05 pH 10300 1 pressure 1 0.001 atm 10300 1 temperature 296 0.1 K 10300 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10300 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10300 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10300 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10300 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10300 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10300 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10300 _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.' . . 10300 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10300 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10300 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10300 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10300 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10300 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10300 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10300 5 'structure solution' 10300 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10300 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10300 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10300 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10300 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10300 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10300 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10300 _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 . . . . . . . . . 10300 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10300 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10300 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 10300 _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 10300 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10300 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER H H 1 7.609 0.030 . 1 . . . . 6 SER H . 10300 1 2 . 1 1 6 6 SER HA H 1 4.387 0.030 . 1 . . . . 6 SER HA . 10300 1 3 . 1 1 6 6 SER HB2 H 1 4.032 0.030 . 2 . . . . 6 SER HB2 . 10300 1 4 . 1 1 6 6 SER HB3 H 1 3.910 0.030 . 2 . . . . 6 SER HB3 . 10300 1 5 . 1 1 6 6 SER C C 13 174.970 0.300 . 1 . . . . 6 SER C . 10300 1 6 . 1 1 6 6 SER CA C 13 59.828 0.300 . 1 . . . . 6 SER CA . 10300 1 7 . 1 1 6 6 SER CB C 13 63.015 0.300 . 1 . . . . 6 SER CB . 10300 1 8 . 1 1 6 6 SER N N 15 113.840 0.300 . 1 . . . . 6 SER N . 10300 1 9 . 1 1 7 7 GLY H H 1 8.342 0.030 . 1 . . . . 7 GLY H . 10300 1 10 . 1 1 7 7 GLY HA2 H 1 3.904 0.030 . 1 . . . . 7 GLY HA2 . 10300 1 11 . 1 1 7 7 GLY HA3 H 1 3.904 0.030 . 1 . . . . 7 GLY HA3 . 10300 1 12 . 1 1 7 7 GLY C C 13 173.848 0.300 . 1 . . . . 7 GLY C . 10300 1 13 . 1 1 7 7 GLY CA C 13 45.469 0.300 . 1 . . . . 7 GLY CA . 10300 1 14 . 1 1 7 7 GLY N N 15 110.438 0.300 . 1 . . . . 7 GLY N . 10300 1 15 . 1 1 8 8 TRP H H 1 7.931 0.030 . 1 . . . . 8 TRP H . 10300 1 16 . 1 1 8 8 TRP HA H 1 4.642 0.030 . 1 . . . . 8 TRP HA . 10300 1 17 . 1 1 8 8 TRP HB2 H 1 3.211 0.030 . 1 . . . . 8 TRP HB2 . 10300 1 18 . 1 1 8 8 TRP HB3 H 1 3.211 0.030 . 1 . . . . 8 TRP HB3 . 10300 1 19 . 1 1 8 8 TRP HD1 H 1 7.175 0.030 . 1 . . . . 8 TRP HD1 . 10300 1 20 . 1 1 8 8 TRP HE1 H 1 10.088 0.030 . 1 . . . . 8 TRP HE1 . 10300 1 21 . 1 1 8 8 TRP HE3 H 1 7.551 0.030 . 1 . . . . 8 TRP HE3 . 10300 1 22 . 1 1 8 8 TRP HH2 H 1 7.185 0.030 . 1 . . . . 8 TRP HH2 . 10300 1 23 . 1 1 8 8 TRP HZ2 H 1 7.455 0.030 . 1 . . . . 8 TRP HZ2 . 10300 1 24 . 1 1 8 8 TRP HZ3 H 1 7.087 0.030 . 1 . . . . 8 TRP HZ3 . 10300 1 25 . 1 1 8 8 TRP C C 13 176.055 0.300 . 1 . . . . 8 TRP C . 10300 1 26 . 1 1 8 8 TRP CA C 13 57.225 0.300 . 1 . . . . 8 TRP CA . 10300 1 27 . 1 1 8 8 TRP CB C 13 29.489 0.300 . 1 . . . . 8 TRP CB . 10300 1 28 . 1 1 8 8 TRP CD1 C 13 126.910 0.300 . 1 . . . . 8 TRP CD1 . 10300 1 29 . 1 1 8 8 TRP CE3 C 13 120.835 0.300 . 1 . . . . 8 TRP CE3 . 10300 1 30 . 1 1 8 8 TRP CH2 C 13 124.658 0.300 . 1 . . . . 8 TRP CH2 . 10300 1 31 . 1 1 8 8 TRP CZ2 C 13 114.581 0.300 . 1 . . . . 8 TRP CZ2 . 10300 1 32 . 1 1 8 8 TRP CZ3 C 13 122.034 0.300 . 1 . . . . 8 TRP CZ3 . 10300 1 33 . 1 1 8 8 TRP N N 15 120.945 0.300 . 1 . . . . 8 TRP N . 10300 1 34 . 1 1 8 8 TRP NE1 N 15 129.264 0.300 . 1 . . . . 8 TRP NE1 . 10300 1 35 . 1 1 9 9 ILE H H 1 7.866 0.030 . 1 . . . . 9 ILE H . 10300 1 36 . 1 1 9 9 ILE HA H 1 4.006 0.030 . 1 . . . . 9 ILE HA . 10300 1 37 . 1 1 9 9 ILE HB H 1 1.691 0.030 . 1 . . . . 9 ILE HB . 10300 1 38 . 1 1 9 9 ILE HD11 H 1 0.771 0.030 . 1 . . . . 9 ILE HD1 . 10300 1 39 . 1 1 9 9 ILE HD12 H 1 0.771 0.030 . 1 . . . . 9 ILE HD1 . 10300 1 40 . 1 1 9 9 ILE HD13 H 1 0.771 0.030 . 1 . . . . 9 ILE HD1 . 10300 1 41 . 1 1 9 9 ILE HG12 H 1 1.292 0.030 . 2 . . . . 9 ILE HG12 . 10300 1 42 . 1 1 9 9 ILE HG13 H 1 0.997 0.030 . 2 . . . . 9 ILE HG13 . 10300 1 43 . 1 1 9 9 ILE HG21 H 1 0.780 0.030 . 1 . . . . 9 ILE HG2 . 10300 1 44 . 1 1 9 9 ILE HG22 H 1 0.780 0.030 . 1 . . . . 9 ILE HG2 . 10300 1 45 . 1 1 9 9 ILE HG23 H 1 0.780 0.030 . 1 . . . . 9 ILE HG2 . 10300 1 46 . 1 1 9 9 ILE C C 13 175.713 0.300 . 1 . . . . 9 ILE C . 10300 1 47 . 1 1 9 9 ILE CA C 13 61.097 0.300 . 1 . . . . 9 ILE CA . 10300 1 48 . 1 1 9 9 ILE CB C 13 38.839 0.300 . 1 . . . . 9 ILE CB . 10300 1 49 . 1 1 9 9 ILE CD1 C 13 12.808 0.300 . 1 . . . . 9 ILE CD1 . 10300 1 50 . 1 1 9 9 ILE CG1 C 13 27.142 0.300 . 1 . . . . 9 ILE CG1 . 10300 1 51 . 1 1 9 9 ILE CG2 C 13 17.280 0.300 . 1 . . . . 9 ILE CG2 . 10300 1 52 . 1 1 9 9 ILE N N 15 122.829 0.300 . 1 . . . . 9 ILE N . 10300 1 53 . 1 1 10 10 LEU H H 1 8.079 0.030 . 1 . . . . 10 LEU H . 10300 1 54 . 1 1 10 10 LEU HA H 1 4.252 0.030 . 1 . . . . 10 LEU HA . 10300 1 55 . 1 1 10 10 LEU HB2 H 1 1.550 0.030 . 1 . . . . 10 LEU HB2 . 10300 1 56 . 1 1 10 10 LEU HB3 H 1 1.550 0.030 . 1 . . . . 10 LEU HB3 . 10300 1 57 . 1 1 10 10 LEU HD11 H 1 0.920 0.030 . 1 . . . . 10 LEU HD1 . 10300 1 58 . 1 1 10 10 LEU HD12 H 1 0.920 0.030 . 1 . . . . 10 LEU HD1 . 10300 1 59 . 1 1 10 10 LEU HD13 H 1 0.920 0.030 . 1 . . . . 10 LEU HD1 . 10300 1 60 . 1 1 10 10 LEU HD21 H 1 0.851 0.030 . 1 . . . . 10 LEU HD2 . 10300 1 61 . 1 1 10 10 LEU HD22 H 1 0.851 0.030 . 1 . . . . 10 LEU HD2 . 10300 1 62 . 1 1 10 10 LEU HD23 H 1 0.851 0.030 . 1 . . . . 10 LEU HD2 . 10300 1 63 . 1 1 10 10 LEU HG H 1 1.577 0.030 . 1 . . . . 10 LEU HG . 10300 1 64 . 1 1 10 10 LEU C C 13 176.853 0.300 . 1 . . . . 10 LEU C . 10300 1 65 . 1 1 10 10 LEU CA C 13 55.026 0.300 . 1 . . . . 10 LEU CA . 10300 1 66 . 1 1 10 10 LEU CB C 13 42.288 0.300 . 1 . . . . 10 LEU CB . 10300 1 67 . 1 1 10 10 LEU CD1 C 13 24.823 0.300 . 2 . . . . 10 LEU CD1 . 10300 1 68 . 1 1 10 10 LEU CD2 C 13 23.822 0.300 . 2 . . . . 10 LEU CD2 . 10300 1 69 . 1 1 10 10 LEU CG C 13 26.977 0.300 . 1 . . . . 10 LEU CG . 10300 1 70 . 1 1 10 10 LEU N N 15 126.208 0.300 . 1 . . . . 10 LEU N . 10300 1 71 . 1 1 11 11 ALA H H 1 8.222 0.030 . 1 . . . . 11 ALA H . 10300 1 72 . 1 1 11 11 ALA HA H 1 4.306 0.030 . 1 . . . . 11 ALA HA . 10300 1 73 . 1 1 11 11 ALA HB1 H 1 1.379 0.030 . 1 . . . . 11 ALA HB . 10300 1 74 . 1 1 11 11 ALA HB2 H 1 1.379 0.030 . 1 . . . . 11 ALA HB . 10300 1 75 . 1 1 11 11 ALA HB3 H 1 1.379 0.030 . 1 . . . . 11 ALA HB . 10300 1 76 . 1 1 11 11 ALA C C 13 177.628 0.300 . 1 . . . . 11 ALA C . 10300 1 77 . 1 1 11 11 ALA CA C 13 52.472 0.300 . 1 . . . . 11 ALA CA . 10300 1 78 . 1 1 11 11 ALA CB C 13 19.357 0.300 . 1 . . . . 11 ALA CB . 10300 1 79 . 1 1 11 11 ALA N N 15 125.333 0.300 . 1 . . . . 11 ALA N . 10300 1 80 . 1 1 12 12 SER H H 1 8.251 0.030 . 1 . . . . 12 SER H . 10300 1 81 . 1 1 12 12 SER HA H 1 4.461 0.030 . 1 . . . . 12 SER HA . 10300 1 82 . 1 1 12 12 SER HB2 H 1 3.868 0.030 . 2 . . . . 12 SER HB2 . 10300 1 83 . 1 1 12 12 SER C C 13 174.830 0.300 . 1 . . . . 12 SER C . 10300 1 84 . 1 1 12 12 SER CA C 13 58.264 0.300 . 1 . . . . 12 SER CA . 10300 1 85 . 1 1 12 12 SER CB C 13 63.895 0.300 . 1 . . . . 12 SER CB . 10300 1 86 . 1 1 12 12 SER N N 15 114.892 0.300 . 1 . . . . 12 SER N . 10300 1 87 . 1 1 13 13 THR H H 1 8.173 0.030 . 1 . . . . 13 THR H . 10300 1 88 . 1 1 13 13 THR HA H 1 4.473 0.030 . 1 . . . . 13 THR HA . 10300 1 89 . 1 1 13 13 THR HB H 1 4.299 0.030 . 1 . . . . 13 THR HB . 10300 1 90 . 1 1 13 13 THR HG21 H 1 1.194 0.030 . 1 . . . . 13 THR HG2 . 10300 1 91 . 1 1 13 13 THR HG22 H 1 1.194 0.030 . 1 . . . . 13 THR HG2 . 10300 1 92 . 1 1 13 13 THR HG23 H 1 1.194 0.030 . 1 . . . . 13 THR HG2 . 10300 1 93 . 1 1 13 13 THR C C 13 174.743 0.300 . 1 . . . . 13 THR C . 10300 1 94 . 1 1 13 13 THR CA C 13 61.713 0.300 . 1 . . . . 13 THR CA . 10300 1 95 . 1 1 13 13 THR CB C 13 69.777 0.300 . 1 . . . . 13 THR CB . 10300 1 96 . 1 1 13 13 THR CG2 C 13 21.625 0.300 . 1 . . . . 13 THR CG2 . 10300 1 97 . 1 1 13 13 THR N N 15 115.492 0.300 . 1 . . . . 13 THR N . 10300 1 98 . 1 1 14 14 THR H H 1 8.170 0.030 . 1 . . . . 14 THR H . 10300 1 99 . 1 1 14 14 THR HA H 1 4.366 0.030 . 1 . . . . 14 THR HA . 10300 1 100 . 1 1 14 14 THR HB H 1 4.225 0.030 . 1 . . . . 14 THR HB . 10300 1 101 . 1 1 14 14 THR HG21 H 1 1.172 0.030 . 1 . . . . 14 THR HG2 . 10300 1 102 . 1 1 14 14 THR HG22 H 1 1.172 0.030 . 1 . . . . 14 THR HG2 . 10300 1 103 . 1 1 14 14 THR HG23 H 1 1.172 0.030 . 1 . . . . 14 THR HG2 . 10300 1 104 . 1 1 14 14 THR C C 13 174.584 0.300 . 1 . . . . 14 THR C . 10300 1 105 . 1 1 14 14 THR CA C 13 61.872 0.300 . 1 . . . . 14 THR CA . 10300 1 106 . 1 1 14 14 THR CB C 13 69.736 0.300 . 1 . . . . 14 THR CB . 10300 1 107 . 1 1 14 14 THR CG2 C 13 21.705 0.300 . 1 . . . . 14 THR CG2 . 10300 1 108 . 1 1 14 14 THR N N 15 115.620 0.300 . 1 . . . . 14 THR N . 10300 1 109 . 1 1 15 15 GLU H H 1 8.373 0.030 . 1 . . . . 15 GLU H . 10300 1 110 . 1 1 15 15 GLU HA H 1 4.326 0.030 . 1 . . . . 15 GLU HA . 10300 1 111 . 1 1 15 15 GLU HB2 H 1 1.989 0.030 . 2 . . . . 15 GLU HB2 . 10300 1 112 . 1 1 15 15 GLU HB3 H 1 1.880 0.030 . 2 . . . . 15 GLU HB3 . 10300 1 113 . 1 1 15 15 GLU HG2 H 1 2.210 0.030 . 1 . . . . 15 GLU HG2 . 10300 1 114 . 1 1 15 15 GLU HG3 H 1 2.210 0.030 . 1 . . . . 15 GLU HG3 . 10300 1 115 . 1 1 15 15 GLU C C 13 176.460 0.300 . 1 . . . . 15 GLU C . 10300 1 116 . 1 1 15 15 GLU CA C 13 56.627 0.300 . 1 . . . . 15 GLU CA . 10300 1 117 . 1 1 15 15 GLU CB C 13 30.436 0.300 . 1 . . . . 15 GLU CB . 10300 1 118 . 1 1 15 15 GLU CG C 13 36.275 0.300 . 1 . . . . 15 GLU CG . 10300 1 119 . 1 1 15 15 GLU N N 15 123.537 0.300 . 1 . . . . 15 GLU N . 10300 1 120 . 1 1 16 16 GLY H H 1 8.364 0.030 . 1 . . . . 16 GLY H . 10300 1 121 . 1 1 16 16 GLY HA2 H 1 4.028 0.030 . 2 . . . . 16 GLY HA2 . 10300 1 122 . 1 1 16 16 GLY HA3 H 1 3.868 0.030 . 2 . . . . 16 GLY HA3 . 10300 1 123 . 1 1 16 16 GLY C C 13 173.779 0.300 . 1 . . . . 16 GLY C . 10300 1 124 . 1 1 16 16 GLY CA C 13 44.765 0.300 . 1 . . . . 16 GLY CA . 10300 1 125 . 1 1 16 16 GLY N N 15 109.677 0.300 . 1 . . . . 16 GLY N . 10300 1 126 . 1 1 17 17 ALA H H 1 8.082 0.030 . 1 . . . . 17 ALA H . 10300 1 127 . 1 1 17 17 ALA HA H 1 4.241 0.030 . 1 . . . . 17 ALA HA . 10300 1 128 . 1 1 17 17 ALA HB1 H 1 1.116 0.030 . 1 . . . . 17 ALA HB . 10300 1 129 . 1 1 17 17 ALA HB2 H 1 1.116 0.030 . 1 . . . . 17 ALA HB . 10300 1 130 . 1 1 17 17 ALA HB3 H 1 1.116 0.030 . 1 . . . . 17 ALA HB . 10300 1 131 . 1 1 17 17 ALA C C 13 174.830 0.300 . 1 . . . . 17 ALA C . 10300 1 132 . 1 1 17 17 ALA CA C 13 50.450 0.300 . 1 . . . . 17 ALA CA . 10300 1 133 . 1 1 17 17 ALA CB C 13 17.480 0.300 . 1 . . . . 17 ALA CB . 10300 1 134 . 1 1 17 17 ALA N N 15 124.508 0.300 . 1 . . . . 17 ALA N . 10300 1 135 . 1 1 18 18 PRO HA H 1 4.478 0.030 . 1 . . . . 18 PRO HA . 10300 1 136 . 1 1 18 18 PRO HB2 H 1 2.304 0.030 . 2 . . . . 18 PRO HB2 . 10300 1 137 . 1 1 18 18 PRO HB3 H 1 1.907 0.030 . 2 . . . . 18 PRO HB3 . 10300 1 138 . 1 1 18 18 PRO HD2 H 1 3.874 0.030 . 2 . . . . 18 PRO HD2 . 10300 1 139 . 1 1 18 18 PRO HD3 H 1 3.237 0.030 . 2 . . . . 18 PRO HD3 . 10300 1 140 . 1 1 18 18 PRO HG2 H 1 1.828 0.030 . 1 . . . . 18 PRO HG2 . 10300 1 141 . 1 1 18 18 PRO HG3 H 1 1.828 0.030 . 1 . . . . 18 PRO HG3 . 10300 1 142 . 1 1 18 18 PRO C C 13 176.548 0.300 . 1 . . . . 18 PRO C . 10300 1 143 . 1 1 18 18 PRO CA C 13 63.183 0.300 . 1 . . . . 18 PRO CA . 10300 1 144 . 1 1 18 18 PRO CB C 13 31.673 0.300 . 1 . . . . 18 PRO CB . 10300 1 145 . 1 1 18 18 PRO CD C 13 49.656 0.300 . 1 . . . . 18 PRO CD . 10300 1 146 . 1 1 18 18 PRO CG C 13 27.305 0.300 . 1 . . . . 18 PRO CG . 10300 1 147 . 1 1 19 19 SER H H 1 8.833 0.030 . 1 . . . . 19 SER H . 10300 1 148 . 1 1 19 19 SER HA H 1 4.461 0.030 . 1 . . . . 19 SER HA . 10300 1 149 . 1 1 19 19 SER HB2 H 1 3.958 0.030 . 2 . . . . 19 SER HB2 . 10300 1 150 . 1 1 19 19 SER HB3 H 1 3.829 0.030 . 2 . . . . 19 SER HB3 . 10300 1 151 . 1 1 19 19 SER C C 13 173.935 0.300 . 1 . . . . 19 SER C . 10300 1 152 . 1 1 19 19 SER CA C 13 58.457 0.300 . 1 . . . . 19 SER CA . 10300 1 153 . 1 1 19 19 SER CB C 13 64.335 0.300 . 1 . . . . 19 SER CB . 10300 1 154 . 1 1 19 19 SER N N 15 114.123 0.300 . 1 . . . . 19 SER N . 10300 1 155 . 1 1 20 20 VAL H H 1 7.457 0.030 . 1 . . . . 20 VAL H . 10300 1 156 . 1 1 20 20 VAL HA H 1 4.473 0.030 . 1 . . . . 20 VAL HA . 10300 1 157 . 1 1 20 20 VAL HB H 1 2.084 0.030 . 1 . . . . 20 VAL HB . 10300 1 158 . 1 1 20 20 VAL HG11 H 1 1.025 0.030 . 1 . . . . 20 VAL HG1 . 10300 1 159 . 1 1 20 20 VAL HG12 H 1 1.025 0.030 . 1 . . . . 20 VAL HG1 . 10300 1 160 . 1 1 20 20 VAL HG13 H 1 1.025 0.030 . 1 . . . . 20 VAL HG1 . 10300 1 161 . 1 1 20 20 VAL HG21 H 1 0.869 0.030 . 1 . . . . 20 VAL HG2 . 10300 1 162 . 1 1 20 20 VAL HG22 H 1 0.869 0.030 . 1 . . . . 20 VAL HG2 . 10300 1 163 . 1 1 20 20 VAL HG23 H 1 0.869 0.030 . 1 . . . . 20 VAL HG2 . 10300 1 164 . 1 1 20 20 VAL C C 13 174.716 0.300 . 1 . . . . 20 VAL C . 10300 1 165 . 1 1 20 20 VAL CA C 13 60.253 0.300 . 1 . . . . 20 VAL CA . 10300 1 166 . 1 1 20 20 VAL CB C 13 34.710 0.300 . 1 . . . . 20 VAL CB . 10300 1 167 . 1 1 20 20 VAL CG1 C 13 21.952 0.300 . 2 . . . . 20 VAL CG1 . 10300 1 168 . 1 1 20 20 VAL CG2 C 13 19.898 0.300 . 2 . . . . 20 VAL CG2 . 10300 1 169 . 1 1 20 20 VAL N N 15 116.824 0.300 . 1 . . . . 20 VAL N . 10300 1 170 . 1 1 21 21 ALA H H 1 8.413 0.030 . 1 . . . . 21 ALA H . 10300 1 171 . 1 1 21 21 ALA HA H 1 4.830 0.030 . 1 . . . . 21 ALA HA . 10300 1 172 . 1 1 21 21 ALA HB1 H 1 1.215 0.030 . 1 . . . . 21 ALA HB . 10300 1 173 . 1 1 21 21 ALA HB2 H 1 1.215 0.030 . 1 . . . . 21 ALA HB . 10300 1 174 . 1 1 21 21 ALA HB3 H 1 1.215 0.030 . 1 . . . . 21 ALA HB . 10300 1 175 . 1 1 21 21 ALA C C 13 174.854 0.300 . 1 . . . . 21 ALA C . 10300 1 176 . 1 1 21 21 ALA CA C 13 50.062 0.300 . 1 . . . . 21 ALA CA . 10300 1 177 . 1 1 21 21 ALA CB C 13 18.409 0.300 . 1 . . . . 21 ALA CB . 10300 1 178 . 1 1 21 21 ALA N N 15 127.225 0.300 . 1 . . . . 21 ALA N . 10300 1 179 . 1 1 22 22 PRO HA H 1 4.257 0.030 . 1 . . . . 22 PRO HA . 10300 1 180 . 1 1 22 22 PRO HB2 H 1 2.290 0.030 . 2 . . . . 22 PRO HB2 . 10300 1 181 . 1 1 22 22 PRO HB3 H 1 1.432 0.030 . 2 . . . . 22 PRO HB3 . 10300 1 182 . 1 1 22 22 PRO HD2 H 1 4.065 0.030 . 2 . . . . 22 PRO HD2 . 10300 1 183 . 1 1 22 22 PRO HD3 H 1 3.689 0.030 . 2 . . . . 22 PRO HD3 . 10300 1 184 . 1 1 22 22 PRO HG2 H 1 1.621 0.030 . 2 . . . . 22 PRO HG2 . 10300 1 185 . 1 1 22 22 PRO HG3 H 1 1.561 0.030 . 2 . . . . 22 PRO HG3 . 10300 1 186 . 1 1 22 22 PRO C C 13 173.282 0.300 . 1 . . . . 22 PRO C . 10300 1 187 . 1 1 22 22 PRO CA C 13 63.745 0.300 . 1 . . . . 22 PRO CA . 10300 1 188 . 1 1 22 22 PRO CB C 13 32.420 0.300 . 1 . . . . 22 PRO CB . 10300 1 189 . 1 1 22 22 PRO CD C 13 50.244 0.300 . 1 . . . . 22 PRO CD . 10300 1 190 . 1 1 22 22 PRO CG C 13 28.449 0.300 . 1 . . . . 22 PRO CG . 10300 1 191 . 1 1 23 23 LEU H H 1 7.758 0.030 . 1 . . . . 23 LEU H . 10300 1 192 . 1 1 23 23 LEU HA H 1 4.594 0.030 . 1 . . . . 23 LEU HA . 10300 1 193 . 1 1 23 23 LEU HB2 H 1 1.584 0.030 . 1 . . . . 23 LEU HB2 . 10300 1 194 . 1 1 23 23 LEU HB3 H 1 1.584 0.030 . 1 . . . . 23 LEU HB3 . 10300 1 195 . 1 1 23 23 LEU HD11 H 1 0.954 0.030 . 1 . . . . 23 LEU HD1 . 10300 1 196 . 1 1 23 23 LEU HD12 H 1 0.954 0.030 . 1 . . . . 23 LEU HD1 . 10300 1 197 . 1 1 23 23 LEU HD13 H 1 0.954 0.030 . 1 . . . . 23 LEU HD1 . 10300 1 198 . 1 1 23 23 LEU HD21 H 1 0.966 0.030 . 1 . . . . 23 LEU HD2 . 10300 1 199 . 1 1 23 23 LEU HD22 H 1 0.966 0.030 . 1 . . . . 23 LEU HD2 . 10300 1 200 . 1 1 23 23 LEU HD23 H 1 0.966 0.030 . 1 . . . . 23 LEU HD2 . 10300 1 201 . 1 1 23 23 LEU HG H 1 1.729 0.030 . 1 . . . . 23 LEU HG . 10300 1 202 . 1 1 23 23 LEU C C 13 176.135 0.300 . 1 . . . . 23 LEU C . 10300 1 203 . 1 1 23 23 LEU CA C 13 54.058 0.300 . 1 . . . . 23 LEU CA . 10300 1 204 . 1 1 23 23 LEU CB C 13 45.583 0.300 . 1 . . . . 23 LEU CB . 10300 1 205 . 1 1 23 23 LEU CD1 C 13 23.929 0.300 . 2 . . . . 23 LEU CD1 . 10300 1 206 . 1 1 23 23 LEU CD2 C 13 25.988 0.300 . 2 . . . . 23 LEU CD2 . 10300 1 207 . 1 1 23 23 LEU CG C 13 27.620 0.300 . 1 . . . . 23 LEU CG . 10300 1 208 . 1 1 23 23 LEU N N 15 119.277 0.300 . 1 . . . . 23 LEU N . 10300 1 209 . 1 1 24 24 ASN H H 1 8.815 0.030 . 1 . . . . 24 ASN H . 10300 1 210 . 1 1 24 24 ASN HA H 1 4.300 0.030 . 1 . . . . 24 ASN HA . 10300 1 211 . 1 1 24 24 ASN HB2 H 1 2.945 0.030 . 2 . . . . 24 ASN HB2 . 10300 1 212 . 1 1 24 24 ASN HB3 H 1 2.569 0.030 . 2 . . . . 24 ASN HB3 . 10300 1 213 . 1 1 24 24 ASN HD21 H 1 7.188 0.030 . 2 . . . . 24 ASN HD21 . 10300 1 214 . 1 1 24 24 ASN HD22 H 1 6.909 0.030 . 2 . . . . 24 ASN HD22 . 10300 1 215 . 1 1 24 24 ASN C C 13 173.809 0.300 . 1 . . . . 24 ASN C . 10300 1 216 . 1 1 24 24 ASN CA C 13 53.730 0.300 . 1 . . . . 24 ASN CA . 10300 1 217 . 1 1 24 24 ASN CB C 13 37.505 0.300 . 1 . . . . 24 ASN CB . 10300 1 218 . 1 1 24 24 ASN N N 15 116.140 0.300 . 1 . . . . 24 ASN N . 10300 1 219 . 1 1 24 24 ASN ND2 N 15 112.417 0.300 . 1 . . . . 24 ASN ND2 . 10300 1 220 . 1 1 25 25 VAL H H 1 8.053 0.030 . 1 . . . . 25 VAL H . 10300 1 221 . 1 1 25 25 VAL HA H 1 4.644 0.030 . 1 . . . . 25 VAL HA . 10300 1 222 . 1 1 25 25 VAL HB H 1 2.031 0.030 . 1 . . . . 25 VAL HB . 10300 1 223 . 1 1 25 25 VAL HG11 H 1 0.901 0.030 . 1 . . . . 25 VAL HG1 . 10300 1 224 . 1 1 25 25 VAL HG12 H 1 0.901 0.030 . 1 . . . . 25 VAL HG1 . 10300 1 225 . 1 1 25 25 VAL HG13 H 1 0.901 0.030 . 1 . . . . 25 VAL HG1 . 10300 1 226 . 1 1 25 25 VAL HG21 H 1 0.804 0.030 . 1 . . . . 25 VAL HG2 . 10300 1 227 . 1 1 25 25 VAL HG22 H 1 0.804 0.030 . 1 . . . . 25 VAL HG2 . 10300 1 228 . 1 1 25 25 VAL HG23 H 1 0.804 0.030 . 1 . . . . 25 VAL HG2 . 10300 1 229 . 1 1 25 25 VAL C C 13 177.364 0.300 . 1 . . . . 25 VAL C . 10300 1 230 . 1 1 25 25 VAL CA C 13 63.773 0.300 . 1 . . . . 25 VAL CA . 10300 1 231 . 1 1 25 25 VAL CB C 13 31.414 0.300 . 1 . . . . 25 VAL CB . 10300 1 232 . 1 1 25 25 VAL CG1 C 13 20.881 0.300 . 2 . . . . 25 VAL CG1 . 10300 1 233 . 1 1 25 25 VAL CG2 C 13 20.881 0.300 . 2 . . . . 25 VAL CG2 . 10300 1 234 . 1 1 25 25 VAL N N 15 119.432 0.300 . 1 . . . . 25 VAL N . 10300 1 235 . 1 1 26 26 THR H H 1 9.323 0.030 . 1 . . . . 26 THR H . 10300 1 236 . 1 1 26 26 THR HA H 1 4.640 0.030 . 1 . . . . 26 THR HA . 10300 1 237 . 1 1 26 26 THR HB H 1 4.050 0.030 . 1 . . . . 26 THR HB . 10300 1 238 . 1 1 26 26 THR HG21 H 1 1.126 0.030 . 1 . . . . 26 THR HG2 . 10300 1 239 . 1 1 26 26 THR HG22 H 1 1.126 0.030 . 1 . . . . 26 THR HG2 . 10300 1 240 . 1 1 26 26 THR HG23 H 1 1.126 0.030 . 1 . . . . 26 THR HG2 . 10300 1 241 . 1 1 26 26 THR C C 13 172.759 0.300 . 1 . . . . 26 THR C . 10300 1 242 . 1 1 26 26 THR CA C 13 60.393 0.300 . 1 . . . . 26 THR CA . 10300 1 243 . 1 1 26 26 THR CB C 13 72.267 0.300 . 1 . . . . 26 THR CB . 10300 1 244 . 1 1 26 26 THR CG2 C 13 21.436 0.300 . 1 . . . . 26 THR CG2 . 10300 1 245 . 1 1 26 26 THR N N 15 120.732 0.300 . 1 . . . . 26 THR N . 10300 1 246 . 1 1 27 27 VAL H H 1 8.253 0.030 . 1 . . . . 27 VAL H . 10300 1 247 . 1 1 27 27 VAL HA H 1 4.957 0.030 . 1 . . . . 27 VAL HA . 10300 1 248 . 1 1 27 27 VAL HB H 1 1.690 0.030 . 1 . . . . 27 VAL HB . 10300 1 249 . 1 1 27 27 VAL HG11 H 1 0.689 0.030 . 1 . . . . 27 VAL HG1 . 10300 1 250 . 1 1 27 27 VAL HG12 H 1 0.689 0.030 . 1 . . . . 27 VAL HG1 . 10300 1 251 . 1 1 27 27 VAL HG13 H 1 0.689 0.030 . 1 . . . . 27 VAL HG1 . 10300 1 252 . 1 1 27 27 VAL HG21 H 1 0.650 0.030 . 1 . . . . 27 VAL HG2 . 10300 1 253 . 1 1 27 27 VAL HG22 H 1 0.650 0.030 . 1 . . . . 27 VAL HG2 . 10300 1 254 . 1 1 27 27 VAL HG23 H 1 0.650 0.030 . 1 . . . . 27 VAL HG2 . 10300 1 255 . 1 1 27 27 VAL C C 13 173.824 0.300 . 1 . . . . 27 VAL C . 10300 1 256 . 1 1 27 27 VAL CA C 13 60.354 0.300 . 1 . . . . 27 VAL CA . 10300 1 257 . 1 1 27 27 VAL CB C 13 35.241 0.300 . 1 . . . . 27 VAL CB . 10300 1 258 . 1 1 27 27 VAL CG1 C 13 21.637 0.300 . 2 . . . . 27 VAL CG1 . 10300 1 259 . 1 1 27 27 VAL CG2 C 13 22.113 0.300 . 2 . . . . 27 VAL CG2 . 10300 1 260 . 1 1 27 27 VAL N N 15 120.154 0.300 . 1 . . . . 27 VAL N . 10300 1 261 . 1 1 28 28 PHE H H 1 8.814 0.030 . 1 . . . . 28 PHE H . 10300 1 262 . 1 1 28 28 PHE HA H 1 4.879 0.030 . 1 . . . . 28 PHE HA . 10300 1 263 . 1 1 28 28 PHE HB2 H 1 3.135 0.030 . 2 . . . . 28 PHE HB2 . 10300 1 264 . 1 1 28 28 PHE HB3 H 1 2.959 0.030 . 2 . . . . 28 PHE HB3 . 10300 1 265 . 1 1 28 28 PHE HD1 H 1 7.222 0.030 . 1 . . . . 28 PHE HD1 . 10300 1 266 . 1 1 28 28 PHE HD2 H 1 7.222 0.030 . 1 . . . . 28 PHE HD2 . 10300 1 267 . 1 1 28 28 PHE HE1 H 1 7.296 0.030 . 1 . . . . 28 PHE HE1 . 10300 1 268 . 1 1 28 28 PHE HE2 H 1 7.296 0.030 . 1 . . . . 28 PHE HE2 . 10300 1 269 . 1 1 28 28 PHE C C 13 173.762 0.300 . 1 . . . . 28 PHE C . 10300 1 270 . 1 1 28 28 PHE CA C 13 56.314 0.300 . 1 . . . . 28 PHE CA . 10300 1 271 . 1 1 28 28 PHE CB C 13 42.719 0.300 . 1 . . . . 28 PHE CB . 10300 1 272 . 1 1 28 28 PHE CD1 C 13 132.312 0.300 . 1 . . . . 28 PHE CD1 . 10300 1 273 . 1 1 28 28 PHE CD2 C 13 132.312 0.300 . 1 . . . . 28 PHE CD2 . 10300 1 274 . 1 1 28 28 PHE CE1 C 13 131.189 0.300 . 1 . . . . 28 PHE CE1 . 10300 1 275 . 1 1 28 28 PHE CE2 C 13 131.189 0.300 . 1 . . . . 28 PHE CE2 . 10300 1 276 . 1 1 28 28 PHE N N 15 123.261 0.300 . 1 . . . . 28 PHE N . 10300 1 277 . 1 1 29 29 LEU H H 1 8.764 0.030 . 1 . . . . 29 LEU H . 10300 1 278 . 1 1 29 29 LEU HA H 1 4.574 0.030 . 1 . . . . 29 LEU HA . 10300 1 279 . 1 1 29 29 LEU HB2 H 1 1.953 0.030 . 2 . . . . 29 LEU HB2 . 10300 1 280 . 1 1 29 29 LEU HB3 H 1 1.296 0.030 . 2 . . . . 29 LEU HB3 . 10300 1 281 . 1 1 29 29 LEU HD11 H 1 1.116 0.030 . 1 . . . . 29 LEU HD1 . 10300 1 282 . 1 1 29 29 LEU HD12 H 1 1.116 0.030 . 1 . . . . 29 LEU HD1 . 10300 1 283 . 1 1 29 29 LEU HD13 H 1 1.116 0.030 . 1 . . . . 29 LEU HD1 . 10300 1 284 . 1 1 29 29 LEU HD21 H 1 0.899 0.030 . 1 . . . . 29 LEU HD2 . 10300 1 285 . 1 1 29 29 LEU HD22 H 1 0.899 0.030 . 1 . . . . 29 LEU HD2 . 10300 1 286 . 1 1 29 29 LEU HD23 H 1 0.899 0.030 . 1 . . . . 29 LEU HD2 . 10300 1 287 . 1 1 29 29 LEU HG H 1 1.561 0.030 . 1 . . . . 29 LEU HG . 10300 1 288 . 1 1 29 29 LEU C C 13 175.121 0.300 . 1 . . . . 29 LEU C . 10300 1 289 . 1 1 29 29 LEU CA C 13 54.603 0.300 . 1 . . . . 29 LEU CA . 10300 1 290 . 1 1 29 29 LEU CB C 13 43.502 0.300 . 1 . . . . 29 LEU CB . 10300 1 291 . 1 1 29 29 LEU CD1 C 13 26.854 0.300 . 2 . . . . 29 LEU CD1 . 10300 1 292 . 1 1 29 29 LEU CD2 C 13 23.547 0.300 . 2 . . . . 29 LEU CD2 . 10300 1 293 . 1 1 29 29 LEU CG C 13 27.098 0.300 . 1 . . . . 29 LEU CG . 10300 1 294 . 1 1 29 29 LEU N N 15 125.874 0.300 . 1 . . . . 29 LEU N . 10300 1 295 . 1 1 30 30 ASN H H 1 8.864 0.030 . 1 . . . . 30 ASN H . 10300 1 296 . 1 1 30 30 ASN HA H 1 4.830 0.030 . 1 . . . . 30 ASN HA . 10300 1 297 . 1 1 30 30 ASN HB2 H 1 3.078 0.030 . 2 . . . . 30 ASN HB2 . 10300 1 298 . 1 1 30 30 ASN HB3 H 1 2.903 0.030 . 2 . . . . 30 ASN HB3 . 10300 1 299 . 1 1 30 30 ASN HD21 H 1 7.789 0.030 . 2 . . . . 30 ASN HD21 . 10300 1 300 . 1 1 30 30 ASN HD22 H 1 7.214 0.030 . 2 . . . . 30 ASN HD22 . 10300 1 301 . 1 1 30 30 ASN CA C 13 52.308 0.300 . 1 . . . . 30 ASN CA . 10300 1 302 . 1 1 30 30 ASN CB C 13 38.358 0.300 . 1 . . . . 30 ASN CB . 10300 1 303 . 1 1 30 30 ASN ND2 N 15 113.370 0.300 . 1 . . . . 30 ASN ND2 . 10300 1 304 . 1 1 31 31 GLU H H 1 8.950 0.030 . 1 . . . . 31 GLU H . 10300 1 305 . 1 1 31 31 GLU HA H 1 4.128 0.030 . 1 . . . . 31 GLU HA . 10300 1 306 . 1 1 31 31 GLU HB2 H 1 2.133 0.030 . 2 . . . . 31 GLU HB2 . 10300 1 307 . 1 1 31 31 GLU HB3 H 1 2.079 0.030 . 2 . . . . 31 GLU HB3 . 10300 1 308 . 1 1 31 31 GLU HG2 H 1 2.362 0.030 . 2 . . . . 31 GLU HG2 . 10300 1 309 . 1 1 31 31 GLU HG3 H 1 2.323 0.030 . 2 . . . . 31 GLU HG3 . 10300 1 310 . 1 1 31 31 GLU CA C 13 59.649 0.300 . 1 . . . . 31 GLU CA . 10300 1 311 . 1 1 31 31 GLU CB C 13 29.813 0.300 . 1 . . . . 31 GLU CB . 10300 1 312 . 1 1 31 31 GLU CG C 13 36.966 0.300 . 1 . . . . 31 GLU CG . 10300 1 313 . 1 1 31 31 GLU N N 15 123.112 0.300 . 1 . . . . 31 GLU N . 10300 1 314 . 1 1 32 32 SER HA H 1 4.566 0.030 . 1 . . . . 32 SER HA . 10300 1 315 . 1 1 32 32 SER CA C 13 58.558 0.300 . 1 . . . . 32 SER CA . 10300 1 316 . 1 1 33 33 SER H H 1 8.341 0.030 . 1 . . . . 33 SER H . 10300 1 317 . 1 1 33 33 SER HA H 1 4.461 0.030 . 1 . . . . 33 SER HA . 10300 1 318 . 1 1 33 33 SER HB2 H 1 3.880 0.030 . 1 . . . . 33 SER HB2 . 10300 1 319 . 1 1 33 33 SER HB3 H 1 3.880 0.030 . 1 . . . . 33 SER HB3 . 10300 1 320 . 1 1 33 33 SER CA C 13 58.363 0.300 . 1 . . . . 33 SER CA . 10300 1 321 . 1 1 33 33 SER CB C 13 63.500 0.300 . 1 . . . . 33 SER CB . 10300 1 322 . 1 1 33 33 SER N N 15 117.955 0.300 . 1 . . . . 33 SER N . 10300 1 323 . 1 1 34 34 ASP CA C 13 58.334 0.300 . 1 . . . . 34 ASP CA . 10300 1 324 . 1 1 35 35 ASN H H 1 7.906 0.030 . 1 . . . . 35 ASN H . 10300 1 325 . 1 1 35 35 ASN HA H 1 5.289 0.030 . 1 . . . . 35 ASN HA . 10300 1 326 . 1 1 35 35 ASN HB2 H 1 2.414 0.030 . 1 . . . . 35 ASN HB2 . 10300 1 327 . 1 1 35 35 ASN HB3 H 1 2.414 0.030 . 1 . . . . 35 ASN HB3 . 10300 1 328 . 1 1 35 35 ASN HD21 H 1 7.089 0.030 . 2 . . . . 35 ASN HD21 . 10300 1 329 . 1 1 35 35 ASN HD22 H 1 6.713 0.030 . 2 . . . . 35 ASN HD22 . 10300 1 330 . 1 1 35 35 ASN C C 13 172.550 0.300 . 1 . . . . 35 ASN C . 10300 1 331 . 1 1 35 35 ASN CA C 13 52.491 0.300 . 1 . . . . 35 ASN CA . 10300 1 332 . 1 1 35 35 ASN CB C 13 42.776 0.300 . 1 . . . . 35 ASN CB . 10300 1 333 . 1 1 35 35 ASN N N 15 115.775 0.300 . 1 . . . . 35 ASN N . 10300 1 334 . 1 1 35 35 ASN ND2 N 15 112.390 0.300 . 1 . . . . 35 ASN ND2 . 10300 1 335 . 1 1 36 36 VAL H H 1 9.302 0.030 . 1 . . . . 36 VAL H . 10300 1 336 . 1 1 36 36 VAL HA H 1 4.572 0.030 . 1 . . . . 36 VAL HA . 10300 1 337 . 1 1 36 36 VAL HB H 1 1.931 0.030 . 1 . . . . 36 VAL HB . 10300 1 338 . 1 1 36 36 VAL HG11 H 1 0.866 0.030 . 1 . . . . 36 VAL HG1 . 10300 1 339 . 1 1 36 36 VAL HG12 H 1 0.866 0.030 . 1 . . . . 36 VAL HG1 . 10300 1 340 . 1 1 36 36 VAL HG13 H 1 0.866 0.030 . 1 . . . . 36 VAL HG1 . 10300 1 341 . 1 1 36 36 VAL HG21 H 1 0.677 0.030 . 1 . . . . 36 VAL HG2 . 10300 1 342 . 1 1 36 36 VAL HG22 H 1 0.677 0.030 . 1 . . . . 36 VAL HG2 . 10300 1 343 . 1 1 36 36 VAL HG23 H 1 0.677 0.030 . 1 . . . . 36 VAL HG2 . 10300 1 344 . 1 1 36 36 VAL C C 13 173.937 0.300 . 1 . . . . 36 VAL C . 10300 1 345 . 1 1 36 36 VAL CA C 13 61.189 0.300 . 1 . . . . 36 VAL CA . 10300 1 346 . 1 1 36 36 VAL CB C 13 33.644 0.300 . 1 . . . . 36 VAL CB . 10300 1 347 . 1 1 36 36 VAL CG1 C 13 21.787 0.300 . 2 . . . . 36 VAL CG1 . 10300 1 348 . 1 1 36 36 VAL CG2 C 13 22.230 0.300 . 2 . . . . 36 VAL CG2 . 10300 1 349 . 1 1 36 36 VAL N N 15 119.229 0.300 . 1 . . . . 36 VAL N . 10300 1 350 . 1 1 37 37 ASP H H 1 9.116 0.030 . 1 . . . . 37 ASP H . 10300 1 351 . 1 1 37 37 ASP HA H 1 5.188 0.030 . 1 . . . . 37 ASP HA . 10300 1 352 . 1 1 37 37 ASP HB2 H 1 2.531 0.030 . 2 . . . . 37 ASP HB2 . 10300 1 353 . 1 1 37 37 ASP HB3 H 1 2.371 0.030 . 2 . . . . 37 ASP HB3 . 10300 1 354 . 1 1 37 37 ASP C C 13 175.140 0.300 . 1 . . . . 37 ASP C . 10300 1 355 . 1 1 37 37 ASP CA C 13 53.829 0.300 . 1 . . . . 37 ASP CA . 10300 1 356 . 1 1 37 37 ASP CB C 13 43.535 0.300 . 1 . . . . 37 ASP CB . 10300 1 357 . 1 1 37 37 ASP N N 15 127.397 0.300 . 1 . . . . 37 ASP N . 10300 1 358 . 1 1 38 38 ILE H H 1 9.007 0.030 . 1 . . . . 38 ILE H . 10300 1 359 . 1 1 38 38 ILE HA H 1 5.058 0.030 . 1 . . . . 38 ILE HA . 10300 1 360 . 1 1 38 38 ILE HB H 1 1.752 0.030 . 1 . . . . 38 ILE HB . 10300 1 361 . 1 1 38 38 ILE HD11 H 1 0.647 0.030 . 1 . . . . 38 ILE HD1 . 10300 1 362 . 1 1 38 38 ILE HD12 H 1 0.647 0.030 . 1 . . . . 38 ILE HD1 . 10300 1 363 . 1 1 38 38 ILE HD13 H 1 0.647 0.030 . 1 . . . . 38 ILE HD1 . 10300 1 364 . 1 1 38 38 ILE HG12 H 1 1.651 0.030 . 2 . . . . 38 ILE HG12 . 10300 1 365 . 1 1 38 38 ILE HG13 H 1 0.866 0.030 . 2 . . . . 38 ILE HG13 . 10300 1 366 . 1 1 38 38 ILE HG21 H 1 1.015 0.030 . 1 . . . . 38 ILE HG2 . 10300 1 367 . 1 1 38 38 ILE HG22 H 1 1.015 0.030 . 1 . . . . 38 ILE HG2 . 10300 1 368 . 1 1 38 38 ILE HG23 H 1 1.015 0.030 . 1 . . . . 38 ILE HG2 . 10300 1 369 . 1 1 38 38 ILE C C 13 174.726 0.300 . 1 . . . . 38 ILE C . 10300 1 370 . 1 1 38 38 ILE CA C 13 60.155 0.300 . 1 . . . . 38 ILE CA . 10300 1 371 . 1 1 38 38 ILE CB C 13 41.536 0.300 . 1 . . . . 38 ILE CB . 10300 1 372 . 1 1 38 38 ILE CD1 C 13 15.251 0.300 . 1 . . . . 38 ILE CD1 . 10300 1 373 . 1 1 38 38 ILE CG1 C 13 28.174 0.300 . 1 . . . . 38 ILE CG1 . 10300 1 374 . 1 1 38 38 ILE CG2 C 13 18.904 0.300 . 1 . . . . 38 ILE CG2 . 10300 1 375 . 1 1 38 38 ILE N N 15 125.750 0.300 . 1 . . . . 38 ILE N . 10300 1 376 . 1 1 39 39 ARG H H 1 9.023 0.030 . 1 . . . . 39 ARG H . 10300 1 377 . 1 1 39 39 ARG HA H 1 5.021 0.030 . 1 . . . . 39 ARG HA . 10300 1 378 . 1 1 39 39 ARG HB2 H 1 1.840 0.030 . 2 . . . . 39 ARG HB2 . 10300 1 379 . 1 1 39 39 ARG HB3 H 1 1.728 0.030 . 2 . . . . 39 ARG HB3 . 10300 1 380 . 1 1 39 39 ARG HD2 H 1 3.072 0.030 . 2 . . . . 39 ARG HD2 . 10300 1 381 . 1 1 39 39 ARG HD3 H 1 2.972 0.030 . 2 . . . . 39 ARG HD3 . 10300 1 382 . 1 1 39 39 ARG HG2 H 1 1.511 0.030 . 1 . . . . 39 ARG HG2 . 10300 1 383 . 1 1 39 39 ARG HG3 H 1 1.511 0.030 . 1 . . . . 39 ARG HG3 . 10300 1 384 . 1 1 39 39 ARG C C 13 174.312 0.300 . 1 . . . . 39 ARG C . 10300 1 385 . 1 1 39 39 ARG CA C 13 55.008 0.300 . 1 . . . . 39 ARG CA . 10300 1 386 . 1 1 39 39 ARG CB C 13 34.253 0.300 . 1 . . . . 39 ARG CB . 10300 1 387 . 1 1 39 39 ARG CD C 13 43.858 0.300 . 1 . . . . 39 ARG CD . 10300 1 388 . 1 1 39 39 ARG CG C 13 27.593 0.300 . 1 . . . . 39 ARG CG . 10300 1 389 . 1 1 39 39 ARG N N 15 125.565 0.300 . 1 . . . . 39 ARG N . 10300 1 390 . 1 1 40 40 TRP H H 1 7.408 0.030 . 1 . . . . 40 TRP H . 10300 1 391 . 1 1 40 40 TRP HA H 1 4.993 0.030 . 1 . . . . 40 TRP HA . 10300 1 392 . 1 1 40 40 TRP HB2 H 1 3.360 0.030 . 2 . . . . 40 TRP HB2 . 10300 1 393 . 1 1 40 40 TRP HB3 H 1 2.864 0.030 . 2 . . . . 40 TRP HB3 . 10300 1 394 . 1 1 40 40 TRP HD1 H 1 6.368 0.030 . 1 . . . . 40 TRP HD1 . 10300 1 395 . 1 1 40 40 TRP HE1 H 1 6.484 0.030 . 1 . . . . 40 TRP HE1 . 10300 1 396 . 1 1 40 40 TRP HE3 H 1 6.828 0.030 . 1 . . . . 40 TRP HE3 . 10300 1 397 . 1 1 40 40 TRP HH2 H 1 6.573 0.030 . 1 . . . . 40 TRP HH2 . 10300 1 398 . 1 1 40 40 TRP HZ2 H 1 6.516 0.030 . 1 . . . . 40 TRP HZ2 . 10300 1 399 . 1 1 40 40 TRP HZ3 H 1 6.430 0.030 . 1 . . . . 40 TRP HZ3 . 10300 1 400 . 1 1 40 40 TRP C C 13 173.149 0.300 . 1 . . . . 40 TRP C . 10300 1 401 . 1 1 40 40 TRP CA C 13 56.946 0.300 . 1 . . . . 40 TRP CA . 10300 1 402 . 1 1 40 40 TRP CB C 13 31.343 0.300 . 1 . . . . 40 TRP CB . 10300 1 403 . 1 1 40 40 TRP CD1 C 13 124.669 0.300 . 1 . . . . 40 TRP CD1 . 10300 1 404 . 1 1 40 40 TRP CE3 C 13 121.733 0.300 . 1 . . . . 40 TRP CE3 . 10300 1 405 . 1 1 40 40 TRP CH2 C 13 123.742 0.300 . 1 . . . . 40 TRP CH2 . 10300 1 406 . 1 1 40 40 TRP CZ2 C 13 113.176 0.300 . 1 . . . . 40 TRP CZ2 . 10300 1 407 . 1 1 40 40 TRP CZ3 C 13 120.417 0.300 . 1 . . . . 40 TRP CZ3 . 10300 1 408 . 1 1 40 40 TRP N N 15 116.011 0.300 . 1 . . . . 40 TRP N . 10300 1 409 . 1 1 40 40 TRP NE1 N 15 124.088 0.300 . 1 . . . . 40 TRP NE1 . 10300 1 410 . 1 1 41 41 MET H H 1 8.837 0.030 . 1 . . . . 41 MET H . 10300 1 411 . 1 1 41 41 MET HA H 1 4.739 0.030 . 1 . . . . 41 MET HA . 10300 1 412 . 1 1 41 41 MET HB2 H 1 2.078 0.030 . 2 . . . . 41 MET HB2 . 10300 1 413 . 1 1 41 41 MET HB3 H 1 1.840 0.030 . 2 . . . . 41 MET HB3 . 10300 1 414 . 1 1 41 41 MET HE1 H 1 2.116 0.030 . 1 . . . . 41 MET HE . 10300 1 415 . 1 1 41 41 MET HE2 H 1 2.116 0.030 . 1 . . . . 41 MET HE . 10300 1 416 . 1 1 41 41 MET HE3 H 1 2.116 0.030 . 1 . . . . 41 MET HE . 10300 1 417 . 1 1 41 41 MET HG2 H 1 2.595 0.030 . 1 . . . . 41 MET HG2 . 10300 1 418 . 1 1 41 41 MET HG3 H 1 2.595 0.030 . 1 . . . . 41 MET HG3 . 10300 1 419 . 1 1 41 41 MET C C 13 175.354 0.300 . 1 . . . . 41 MET C . 10300 1 420 . 1 1 41 41 MET CA C 13 53.723 0.300 . 1 . . . . 41 MET CA . 10300 1 421 . 1 1 41 41 MET CB C 13 35.494 0.300 . 1 . . . . 41 MET CB . 10300 1 422 . 1 1 41 41 MET CE C 13 17.179 0.300 . 1 . . . . 41 MET CE . 10300 1 423 . 1 1 41 41 MET CG C 13 32.167 0.300 . 1 . . . . 41 MET CG . 10300 1 424 . 1 1 41 41 MET N N 15 117.621 0.300 . 1 . . . . 41 MET N . 10300 1 425 . 1 1 42 42 LYS H H 1 8.475 0.030 . 1 . . . . 42 LYS H . 10300 1 426 . 1 1 42 42 LYS HA H 1 4.687 0.030 . 1 . . . . 42 LYS HA . 10300 1 427 . 1 1 42 42 LYS HB2 H 1 1.935 0.030 . 2 . . . . 42 LYS HB2 . 10300 1 428 . 1 1 42 42 LYS HB3 H 1 1.817 0.030 . 2 . . . . 42 LYS HB3 . 10300 1 429 . 1 1 42 42 LYS HD2 H 1 1.801 0.030 . 2 . . . . 42 LYS HD2 . 10300 1 430 . 1 1 42 42 LYS HD3 H 1 1.714 0.030 . 2 . . . . 42 LYS HD3 . 10300 1 431 . 1 1 42 42 LYS HE2 H 1 3.048 0.030 . 1 . . . . 42 LYS HE2 . 10300 1 432 . 1 1 42 42 LYS HE3 H 1 3.048 0.030 . 1 . . . . 42 LYS HE3 . 10300 1 433 . 1 1 42 42 LYS HG2 H 1 1.678 0.030 . 2 . . . . 42 LYS HG2 . 10300 1 434 . 1 1 42 42 LYS HG3 H 1 1.598 0.030 . 2 . . . . 42 LYS HG3 . 10300 1 435 . 1 1 42 42 LYS C C 13 174.005 0.300 . 1 . . . . 42 LYS C . 10300 1 436 . 1 1 42 42 LYS CA C 13 54.568 0.300 . 1 . . . . 42 LYS CA . 10300 1 437 . 1 1 42 42 LYS CB C 13 32.990 0.300 . 1 . . . . 42 LYS CB . 10300 1 438 . 1 1 42 42 LYS CD C 13 29.789 0.300 . 1 . . . . 42 LYS CD . 10300 1 439 . 1 1 42 42 LYS CE C 13 42.176 0.300 . 1 . . . . 42 LYS CE . 10300 1 440 . 1 1 42 42 LYS CG C 13 23.599 0.300 . 1 . . . . 42 LYS CG . 10300 1 441 . 1 1 42 42 LYS N N 15 125.944 0.300 . 1 . . . . 42 LYS N . 10300 1 442 . 1 1 43 43 PRO HA H 1 4.741 0.030 . 1 . . . . 43 PRO HA . 10300 1 443 . 1 1 43 43 PRO HB2 H 1 2.188 0.030 . 2 . . . . 43 PRO HB2 . 10300 1 444 . 1 1 43 43 PRO HB3 H 1 1.823 0.030 . 2 . . . . 43 PRO HB3 . 10300 1 445 . 1 1 43 43 PRO HD2 H 1 4.102 0.030 . 2 . . . . 43 PRO HD2 . 10300 1 446 . 1 1 43 43 PRO HD3 H 1 3.917 0.030 . 2 . . . . 43 PRO HD3 . 10300 1 447 . 1 1 43 43 PRO HG2 H 1 2.048 0.030 . 2 . . . . 43 PRO HG2 . 10300 1 448 . 1 1 43 43 PRO HG3 H 1 1.790 0.030 . 2 . . . . 43 PRO HG3 . 10300 1 449 . 1 1 43 43 PRO CA C 13 60.651 0.300 . 1 . . . . 43 PRO CA . 10300 1 450 . 1 1 43 43 PRO CB C 13 30.828 0.300 . 1 . . . . 43 PRO CB . 10300 1 451 . 1 1 43 43 PRO CD C 13 50.546 0.300 . 1 . . . . 43 PRO CD . 10300 1 452 . 1 1 43 43 PRO CG C 13 26.835 0.300 . 1 . . . . 43 PRO CG . 10300 1 453 . 1 1 44 44 PRO HA H 1 4.570 0.030 . 1 . . . . 44 PRO HA . 10300 1 454 . 1 1 44 44 PRO HB2 H 1 2.211 0.030 . 2 . . . . 44 PRO HB2 . 10300 1 455 . 1 1 44 44 PRO HB3 H 1 1.975 0.030 . 2 . . . . 44 PRO HB3 . 10300 1 456 . 1 1 44 44 PRO HD2 H 1 3.727 0.030 . 2 . . . . 44 PRO HD2 . 10300 1 457 . 1 1 44 44 PRO HD3 H 1 3.549 0.030 . 2 . . . . 44 PRO HD3 . 10300 1 458 . 1 1 44 44 PRO HG2 H 1 2.068 0.030 . 1 . . . . 44 PRO HG2 . 10300 1 459 . 1 1 44 44 PRO HG3 H 1 2.068 0.030 . 1 . . . . 44 PRO HG3 . 10300 1 460 . 1 1 44 44 PRO C C 13 176.343 0.300 . 1 . . . . 44 PRO C . 10300 1 461 . 1 1 44 44 PRO CA C 13 62.734 0.300 . 1 . . . . 44 PRO CA . 10300 1 462 . 1 1 44 44 PRO CB C 13 31.100 0.300 . 1 . . . . 44 PRO CB . 10300 1 463 . 1 1 44 44 PRO CD C 13 50.306 0.300 . 1 . . . . 44 PRO CD . 10300 1 464 . 1 1 44 44 PRO CG C 13 27.553 0.300 . 1 . . . . 44 PRO CG . 10300 1 465 . 1 1 45 45 THR H H 1 8.089 0.030 . 1 . . . . 45 THR H . 10300 1 466 . 1 1 45 45 THR HA H 1 4.393 0.030 . 1 . . . . 45 THR HA . 10300 1 467 . 1 1 45 45 THR HB H 1 4.325 0.030 . 1 . . . . 45 THR HB . 10300 1 468 . 1 1 45 45 THR HG21 H 1 1.138 0.030 . 1 . . . . 45 THR HG2 . 10300 1 469 . 1 1 45 45 THR HG22 H 1 1.138 0.030 . 1 . . . . 45 THR HG2 . 10300 1 470 . 1 1 45 45 THR HG23 H 1 1.138 0.030 . 1 . . . . 45 THR HG2 . 10300 1 471 . 1 1 45 45 THR C C 13 174.591 0.300 . 1 . . . . 45 THR C . 10300 1 472 . 1 1 45 45 THR CA C 13 61.280 0.300 . 1 . . . . 45 THR CA . 10300 1 473 . 1 1 45 45 THR CB C 13 70.470 0.300 . 1 . . . . 45 THR CB . 10300 1 474 . 1 1 45 45 THR CG2 C 13 21.875 0.300 . 1 . . . . 45 THR CG2 . 10300 1 475 . 1 1 45 45 THR N N 15 114.434 0.300 . 1 . . . . 45 THR N . 10300 1 476 . 1 1 46 46 LYS H H 1 8.786 0.030 . 1 . . . . 46 LYS H . 10300 1 477 . 1 1 46 46 LYS HA H 1 4.525 0.030 . 1 . . . . 46 LYS HA . 10300 1 478 . 1 1 46 46 LYS HB2 H 1 1.925 0.030 . 2 . . . . 46 LYS HB2 . 10300 1 479 . 1 1 46 46 LYS HB3 H 1 1.737 0.030 . 2 . . . . 46 LYS HB3 . 10300 1 480 . 1 1 46 46 LYS HD2 H 1 1.673 0.030 . 1 . . . . 46 LYS HD2 . 10300 1 481 . 1 1 46 46 LYS HD3 H 1 1.673 0.030 . 1 . . . . 46 LYS HD3 . 10300 1 482 . 1 1 46 46 LYS HE2 H 1 2.958 0.030 . 1 . . . . 46 LYS HE2 . 10300 1 483 . 1 1 46 46 LYS HE3 H 1 2.958 0.030 . 1 . . . . 46 LYS HE3 . 10300 1 484 . 1 1 46 46 LYS HG2 H 1 1.429 0.030 . 1 . . . . 46 LYS HG2 . 10300 1 485 . 1 1 46 46 LYS HG3 H 1 1.429 0.030 . 1 . . . . 46 LYS HG3 . 10300 1 486 . 1 1 46 46 LYS C C 13 177.986 0.300 . 1 . . . . 46 LYS C . 10300 1 487 . 1 1 46 46 LYS CA C 13 55.241 0.300 . 1 . . . . 46 LYS CA . 10300 1 488 . 1 1 46 46 LYS CB C 13 33.686 0.300 . 1 . . . . 46 LYS CB . 10300 1 489 . 1 1 46 46 LYS CD C 13 29.029 0.300 . 1 . . . . 46 LYS CD . 10300 1 490 . 1 1 46 46 LYS CE C 13 42.107 0.300 . 1 . . . . 46 LYS CE . 10300 1 491 . 1 1 46 46 LYS CG C 13 24.835 0.300 . 1 . . . . 46 LYS CG . 10300 1 492 . 1 1 46 46 LYS N N 15 123.218 0.300 . 1 . . . . 46 LYS N . 10300 1 493 . 1 1 47 47 GLN HA H 1 4.037 0.030 . 1 . . . . 47 GLN HA . 10300 1 494 . 1 1 47 47 GLN HB2 H 1 2.078 0.030 . 1 . . . . 47 GLN HB2 . 10300 1 495 . 1 1 47 47 GLN HB3 H 1 2.078 0.030 . 1 . . . . 47 GLN HB3 . 10300 1 496 . 1 1 47 47 GLN HG2 H 1 2.396 0.030 . 1 . . . . 47 GLN HG2 . 10300 1 497 . 1 1 47 47 GLN HG3 H 1 2.396 0.030 . 1 . . . . 47 GLN HG3 . 10300 1 498 . 1 1 47 47 GLN C C 13 177.577 0.300 . 1 . . . . 47 GLN C . 10300 1 499 . 1 1 47 47 GLN CA C 13 58.631 0.300 . 1 . . . . 47 GLN CA . 10300 1 500 . 1 1 47 47 GLN CB C 13 28.636 0.300 . 1 . . . . 47 GLN CB . 10300 1 501 . 1 1 47 47 GLN CG C 13 33.814 0.300 . 1 . . . . 47 GLN CG . 10300 1 502 . 1 1 48 48 GLN H H 1 8.661 0.030 . 1 . . . . 48 GLN H . 10300 1 503 . 1 1 48 48 GLN HA H 1 4.176 0.030 . 1 . . . . 48 GLN HA . 10300 1 504 . 1 1 48 48 GLN HB2 H 1 2.096 0.030 . 2 . . . . 48 GLN HB2 . 10300 1 505 . 1 1 48 48 GLN HB3 H 1 2.040 0.030 . 2 . . . . 48 GLN HB3 . 10300 1 506 . 1 1 48 48 GLN HE21 H 1 7.666 0.030 . 2 . . . . 48 GLN HE21 . 10300 1 507 . 1 1 48 48 GLN HE22 H 1 6.834 0.030 . 2 . . . . 48 GLN HE22 . 10300 1 508 . 1 1 48 48 GLN HG2 H 1 2.372 0.030 . 1 . . . . 48 GLN HG2 . 10300 1 509 . 1 1 48 48 GLN HG3 H 1 2.372 0.030 . 1 . . . . 48 GLN HG3 . 10300 1 510 . 1 1 48 48 GLN C C 13 175.765 0.300 . 1 . . . . 48 GLN C . 10300 1 511 . 1 1 48 48 GLN CA C 13 57.190 0.300 . 1 . . . . 48 GLN CA . 10300 1 512 . 1 1 48 48 GLN CB C 13 28.336 0.300 . 1 . . . . 48 GLN CB . 10300 1 513 . 1 1 48 48 GLN CG C 13 33.732 0.300 . 1 . . . . 48 GLN CG . 10300 1 514 . 1 1 48 48 GLN N N 15 116.721 0.300 . 1 . . . . 48 GLN N . 10300 1 515 . 1 1 48 48 GLN NE2 N 15 112.544 0.300 . 1 . . . . 48 GLN NE2 . 10300 1 516 . 1 1 49 49 ASP H H 1 7.788 0.030 . 1 . . . . 49 ASP H . 10300 1 517 . 1 1 49 49 ASP HA H 1 4.531 0.030 . 1 . . . . 49 ASP HA . 10300 1 518 . 1 1 49 49 ASP HB2 H 1 2.808 0.030 . 2 . . . . 49 ASP HB2 . 10300 1 519 . 1 1 49 49 ASP HB3 H 1 2.719 0.030 . 2 . . . . 49 ASP HB3 . 10300 1 520 . 1 1 49 49 ASP C C 13 176.823 0.300 . 1 . . . . 49 ASP C . 10300 1 521 . 1 1 49 49 ASP CA C 13 55.240 0.300 . 1 . . . . 49 ASP CA . 10300 1 522 . 1 1 49 49 ASP CB C 13 41.311 0.300 . 1 . . . . 49 ASP CB . 10300 1 523 . 1 1 49 49 ASP N N 15 120.255 0.300 . 1 . . . . 49 ASP N . 10300 1 524 . 1 1 50 50 GLY H H 1 7.858 0.030 . 1 . . . . 50 GLY H . 10300 1 525 . 1 1 50 50 GLY HA2 H 1 3.953 0.030 . 1 . . . . 50 GLY HA2 . 10300 1 526 . 1 1 50 50 GLY HA3 H 1 3.953 0.030 . 1 . . . . 50 GLY HA3 . 10300 1 527 . 1 1 50 50 GLY C C 13 173.062 0.300 . 1 . . . . 50 GLY C . 10300 1 528 . 1 1 50 50 GLY CA C 13 44.642 0.300 . 1 . . . . 50 GLY CA . 10300 1 529 . 1 1 50 50 GLY N N 15 106.265 0.300 . 1 . . . . 50 GLY N . 10300 1 530 . 1 1 51 51 GLU H H 1 8.286 0.030 . 1 . . . . 51 GLU H . 10300 1 531 . 1 1 51 51 GLU HA H 1 4.169 0.030 . 1 . . . . 51 GLU HA . 10300 1 532 . 1 1 51 51 GLU HB2 H 1 1.896 0.030 . 2 . . . . 51 GLU HB2 . 10300 1 533 . 1 1 51 51 GLU HG2 H 1 2.287 0.030 . 2 . . . . 51 GLU HG2 . 10300 1 534 . 1 1 51 51 GLU HG3 H 1 2.197 0.030 . 2 . . . . 51 GLU HG3 . 10300 1 535 . 1 1 51 51 GLU C C 13 176.485 0.300 . 1 . . . . 51 GLU C . 10300 1 536 . 1 1 51 51 GLU CA C 13 56.257 0.300 . 1 . . . . 51 GLU CA . 10300 1 537 . 1 1 51 51 GLU CB C 13 30.643 0.300 . 1 . . . . 51 GLU CB . 10300 1 538 . 1 1 51 51 GLU CG C 13 36.016 0.300 . 1 . . . . 51 GLU CG . 10300 1 539 . 1 1 51 51 GLU N N 15 119.701 0.300 . 1 . . . . 51 GLU N . 10300 1 540 . 1 1 52 52 LEU H H 1 8.436 0.030 . 1 . . . . 52 LEU H . 10300 1 541 . 1 1 52 52 LEU HA H 1 4.264 0.030 . 1 . . . . 52 LEU HA . 10300 1 542 . 1 1 52 52 LEU HB2 H 1 1.650 0.030 . 2 . . . . 52 LEU HB2 . 10300 1 543 . 1 1 52 52 LEU HB3 H 1 1.505 0.030 . 2 . . . . 52 LEU HB3 . 10300 1 544 . 1 1 52 52 LEU HD11 H 1 0.862 0.030 . 1 . . . . 52 LEU HD1 . 10300 1 545 . 1 1 52 52 LEU HD12 H 1 0.862 0.030 . 1 . . . . 52 LEU HD1 . 10300 1 546 . 1 1 52 52 LEU HD13 H 1 0.862 0.030 . 1 . . . . 52 LEU HD1 . 10300 1 547 . 1 1 52 52 LEU HD21 H 1 0.786 0.030 . 1 . . . . 52 LEU HD2 . 10300 1 548 . 1 1 52 52 LEU HD22 H 1 0.786 0.030 . 1 . . . . 52 LEU HD2 . 10300 1 549 . 1 1 52 52 LEU HD23 H 1 0.786 0.030 . 1 . . . . 52 LEU HD2 . 10300 1 550 . 1 1 52 52 LEU HG H 1 1.581 0.030 . 1 . . . . 52 LEU HG . 10300 1 551 . 1 1 52 52 LEU C C 13 177.422 0.300 . 1 . . . . 52 LEU C . 10300 1 552 . 1 1 52 52 LEU CA C 13 56.179 0.300 . 1 . . . . 52 LEU CA . 10300 1 553 . 1 1 52 52 LEU CB C 13 42.341 0.300 . 1 . . . . 52 LEU CB . 10300 1 554 . 1 1 52 52 LEU CD1 C 13 25.328 0.300 . 2 . . . . 52 LEU CD1 . 10300 1 555 . 1 1 52 52 LEU CD2 C 13 24.934 0.300 . 2 . . . . 52 LEU CD2 . 10300 1 556 . 1 1 52 52 LEU CG C 13 27.636 0.300 . 1 . . . . 52 LEU CG . 10300 1 557 . 1 1 52 52 LEU N N 15 124.184 0.300 . 1 . . . . 52 LEU N . 10300 1 558 . 1 1 53 53 VAL H H 1 8.975 0.030 . 1 . . . . 53 VAL H . 10300 1 559 . 1 1 53 53 VAL HA H 1 4.364 0.030 . 1 . . . . 53 VAL HA . 10300 1 560 . 1 1 53 53 VAL HB H 1 2.060 0.030 . 1 . . . . 53 VAL HB . 10300 1 561 . 1 1 53 53 VAL HG11 H 1 0.794 0.030 . 1 . . . . 53 VAL HG1 . 10300 1 562 . 1 1 53 53 VAL HG12 H 1 0.794 0.030 . 1 . . . . 53 VAL HG1 . 10300 1 563 . 1 1 53 53 VAL HG13 H 1 0.794 0.030 . 1 . . . . 53 VAL HG1 . 10300 1 564 . 1 1 53 53 VAL HG21 H 1 0.517 0.030 . 1 . . . . 53 VAL HG2 . 10300 1 565 . 1 1 53 53 VAL HG22 H 1 0.517 0.030 . 1 . . . . 53 VAL HG2 . 10300 1 566 . 1 1 53 53 VAL HG23 H 1 0.517 0.030 . 1 . . . . 53 VAL HG2 . 10300 1 567 . 1 1 53 53 VAL C C 13 175.711 0.300 . 1 . . . . 53 VAL C . 10300 1 568 . 1 1 53 53 VAL CA C 13 61.361 0.300 . 1 . . . . 53 VAL CA . 10300 1 569 . 1 1 53 53 VAL CB C 13 32.964 0.300 . 1 . . . . 53 VAL CB . 10300 1 570 . 1 1 53 53 VAL CG1 C 13 21.087 0.300 . 2 . . . . 53 VAL CG1 . 10300 1 571 . 1 1 53 53 VAL CG2 C 13 19.364 0.300 . 2 . . . . 53 VAL CG2 . 10300 1 572 . 1 1 53 53 VAL N N 15 118.221 0.300 . 1 . . . . 53 VAL N . 10300 1 573 . 1 1 54 54 GLY H H 1 7.419 0.030 . 1 . . . . 54 GLY H . 10300 1 574 . 1 1 54 54 GLY HA2 H 1 4.484 0.030 . 2 . . . . 54 GLY HA2 . 10300 1 575 . 1 1 54 54 GLY HA3 H 1 3.584 0.030 . 2 . . . . 54 GLY HA3 . 10300 1 576 . 1 1 54 54 GLY C C 13 169.538 0.300 . 1 . . . . 54 GLY C . 10300 1 577 . 1 1 54 54 GLY CA C 13 45.276 0.300 . 1 . . . . 54 GLY CA . 10300 1 578 . 1 1 54 54 GLY N N 15 107.711 0.300 . 1 . . . . 54 GLY N . 10300 1 579 . 1 1 55 55 TYR H H 1 8.645 0.030 . 1 . . . . 55 TYR H . 10300 1 580 . 1 1 55 55 TYR HA H 1 5.277 0.030 . 1 . . . . 55 TYR HA . 10300 1 581 . 1 1 55 55 TYR HB2 H 1 2.399 0.030 . 2 . . . . 55 TYR HB2 . 10300 1 582 . 1 1 55 55 TYR HB3 H 1 2.295 0.030 . 2 . . . . 55 TYR HB3 . 10300 1 583 . 1 1 55 55 TYR HD1 H 1 6.926 0.030 . 1 . . . . 55 TYR HD1 . 10300 1 584 . 1 1 55 55 TYR HD2 H 1 6.926 0.030 . 1 . . . . 55 TYR HD2 . 10300 1 585 . 1 1 55 55 TYR HE1 H 1 6.855 0.030 . 1 . . . . 55 TYR HE1 . 10300 1 586 . 1 1 55 55 TYR HE2 H 1 6.855 0.030 . 1 . . . . 55 TYR HE2 . 10300 1 587 . 1 1 55 55 TYR C C 13 174.586 0.300 . 1 . . . . 55 TYR C . 10300 1 588 . 1 1 55 55 TYR CA C 13 56.556 0.300 . 1 . . . . 55 TYR CA . 10300 1 589 . 1 1 55 55 TYR CB C 13 42.323 0.300 . 1 . . . . 55 TYR CB . 10300 1 590 . 1 1 55 55 TYR CD1 C 13 133.887 0.300 . 1 . . . . 55 TYR CD1 . 10300 1 591 . 1 1 55 55 TYR CD2 C 13 133.887 0.300 . 1 . . . . 55 TYR CD2 . 10300 1 592 . 1 1 55 55 TYR CE1 C 13 117.697 0.300 . 1 . . . . 55 TYR CE1 . 10300 1 593 . 1 1 55 55 TYR CE2 C 13 117.697 0.300 . 1 . . . . 55 TYR CE2 . 10300 1 594 . 1 1 55 55 TYR N N 15 113.555 0.300 . 1 . . . . 55 TYR N . 10300 1 595 . 1 1 56 56 ARG H H 1 9.222 0.030 . 1 . . . . 56 ARG H . 10300 1 596 . 1 1 56 56 ARG HA H 1 5.057 0.030 . 1 . . . . 56 ARG HA . 10300 1 597 . 1 1 56 56 ARG HB2 H 1 1.570 0.030 . 1 . . . . 56 ARG HB2 . 10300 1 598 . 1 1 56 56 ARG HB3 H 1 1.570 0.030 . 1 . . . . 56 ARG HB3 . 10300 1 599 . 1 1 56 56 ARG HD2 H 1 3.232 0.030 . 2 . . . . 56 ARG HD2 . 10300 1 600 . 1 1 56 56 ARG HD3 H 1 2.994 0.030 . 2 . . . . 56 ARG HD3 . 10300 1 601 . 1 1 56 56 ARG HE H 1 8.098 0.030 . 1 . . . . 56 ARG HE . 10300 1 602 . 1 1 56 56 ARG HG2 H 1 1.581 0.030 . 2 . . . . 56 ARG HG2 . 10300 1 603 . 1 1 56 56 ARG HG3 H 1 1.435 0.030 . 2 . . . . 56 ARG HG3 . 10300 1 604 . 1 1 56 56 ARG C C 13 174.121 0.300 . 1 . . . . 56 ARG C . 10300 1 605 . 1 1 56 56 ARG CA C 13 54.515 0.300 . 1 . . . . 56 ARG CA . 10300 1 606 . 1 1 56 56 ARG CB C 13 33.196 0.300 . 1 . . . . 56 ARG CB . 10300 1 607 . 1 1 56 56 ARG CD C 13 43.773 0.300 . 1 . . . . 56 ARG CD . 10300 1 608 . 1 1 56 56 ARG CG C 13 27.636 0.300 . 1 . . . . 56 ARG CG . 10300 1 609 . 1 1 56 56 ARG N N 15 121.855 0.300 . 1 . . . . 56 ARG N . 10300 1 610 . 1 1 56 56 ARG NE N 15 83.722 0.300 . 1 . . . . 56 ARG NE . 10300 1 611 . 1 1 57 57 ILE H H 1 9.337 0.030 . 1 . . . . 57 ILE H . 10300 1 612 . 1 1 57 57 ILE HA H 1 4.543 0.030 . 1 . . . . 57 ILE HA . 10300 1 613 . 1 1 57 57 ILE HB H 1 1.829 0.030 . 1 . . . . 57 ILE HB . 10300 1 614 . 1 1 57 57 ILE HD11 H 1 0.556 0.030 . 1 . . . . 57 ILE HD1 . 10300 1 615 . 1 1 57 57 ILE HD12 H 1 0.556 0.030 . 1 . . . . 57 ILE HD1 . 10300 1 616 . 1 1 57 57 ILE HD13 H 1 0.556 0.030 . 1 . . . . 57 ILE HD1 . 10300 1 617 . 1 1 57 57 ILE HG12 H 1 1.239 0.030 . 2 . . . . 57 ILE HG12 . 10300 1 618 . 1 1 57 57 ILE HG13 H 1 0.445 0.030 . 2 . . . . 57 ILE HG13 . 10300 1 619 . 1 1 57 57 ILE HG21 H 1 0.633 0.030 . 1 . . . . 57 ILE HG2 . 10300 1 620 . 1 1 57 57 ILE HG22 H 1 0.633 0.030 . 1 . . . . 57 ILE HG2 . 10300 1 621 . 1 1 57 57 ILE HG23 H 1 0.633 0.030 . 1 . . . . 57 ILE HG2 . 10300 1 622 . 1 1 57 57 ILE C C 13 175.752 0.300 . 1 . . . . 57 ILE C . 10300 1 623 . 1 1 57 57 ILE CA C 13 60.305 0.300 . 1 . . . . 57 ILE CA . 10300 1 624 . 1 1 57 57 ILE CB C 13 39.869 0.300 . 1 . . . . 57 ILE CB . 10300 1 625 . 1 1 57 57 ILE CD1 C 13 14.954 0.300 . 1 . . . . 57 ILE CD1 . 10300 1 626 . 1 1 57 57 ILE CG1 C 13 27.142 0.300 . 1 . . . . 57 ILE CG1 . 10300 1 627 . 1 1 57 57 ILE CG2 C 13 17.220 0.300 . 1 . . . . 57 ILE CG2 . 10300 1 628 . 1 1 57 57 ILE N N 15 123.940 0.300 . 1 . . . . 57 ILE N . 10300 1 629 . 1 1 58 58 SER H H 1 9.329 0.030 . 1 . . . . 58 SER H . 10300 1 630 . 1 1 58 58 SER HA H 1 5.267 0.030 . 1 . . . . 58 SER HA . 10300 1 631 . 1 1 58 58 SER HB2 H 1 3.491 0.030 . 2 . . . . 58 SER HB2 . 10300 1 632 . 1 1 58 58 SER HB3 H 1 3.408 0.030 . 2 . . . . 58 SER HB3 . 10300 1 633 . 1 1 58 58 SER C C 13 173.736 0.300 . 1 . . . . 58 SER C . 10300 1 634 . 1 1 58 58 SER CA C 13 55.923 0.300 . 1 . . . . 58 SER CA . 10300 1 635 . 1 1 58 58 SER CB C 13 63.417 0.300 . 1 . . . . 58 SER CB . 10300 1 636 . 1 1 58 58 SER N N 15 122.987 0.300 . 1 . . . . 58 SER N . 10300 1 637 . 1 1 59 59 HIS H H 1 8.857 0.030 . 1 . . . . 59 HIS H . 10300 1 638 . 1 1 59 59 HIS HA H 1 5.415 0.030 . 1 . . . . 59 HIS HA . 10300 1 639 . 1 1 59 59 HIS HB2 H 1 2.684 0.030 . 2 . . . . 59 HIS HB2 . 10300 1 640 . 1 1 59 59 HIS HB3 H 1 2.528 0.030 . 2 . . . . 59 HIS HB3 . 10300 1 641 . 1 1 59 59 HIS HD2 H 1 6.755 0.030 . 1 . . . . 59 HIS HD2 . 10300 1 642 . 1 1 59 59 HIS HE1 H 1 7.738 0.030 . 1 . . . . 59 HIS HE1 . 10300 1 643 . 1 1 59 59 HIS C C 13 172.800 0.300 . 1 . . . . 59 HIS C . 10300 1 644 . 1 1 59 59 HIS CA C 13 53.371 0.300 . 1 . . . . 59 HIS CA . 10300 1 645 . 1 1 59 59 HIS CB C 13 32.665 0.300 . 1 . . . . 59 HIS CB . 10300 1 646 . 1 1 59 59 HIS CD2 C 13 115.775 0.300 . 1 . . . . 59 HIS CD2 . 10300 1 647 . 1 1 59 59 HIS CE1 C 13 137.963 0.300 . 1 . . . . 59 HIS CE1 . 10300 1 648 . 1 1 59 59 HIS N N 15 125.692 0.300 . 1 . . . . 59 HIS N . 10300 1 649 . 1 1 60 60 VAL H H 1 8.419 0.030 . 1 . . . . 60 VAL H . 10300 1 650 . 1 1 60 60 VAL HA H 1 4.945 0.030 . 1 . . . . 60 VAL HA . 10300 1 651 . 1 1 60 60 VAL HB H 1 1.735 0.030 . 1 . . . . 60 VAL HB . 10300 1 652 . 1 1 60 60 VAL HG11 H 1 0.824 0.030 . 1 . . . . 60 VAL HG1 . 10300 1 653 . 1 1 60 60 VAL HG12 H 1 0.824 0.030 . 1 . . . . 60 VAL HG1 . 10300 1 654 . 1 1 60 60 VAL HG13 H 1 0.824 0.030 . 1 . . . . 60 VAL HG1 . 10300 1 655 . 1 1 60 60 VAL HG21 H 1 0.796 0.030 . 1 . . . . 60 VAL HG2 . 10300 1 656 . 1 1 60 60 VAL HG22 H 1 0.796 0.030 . 1 . . . . 60 VAL HG2 . 10300 1 657 . 1 1 60 60 VAL HG23 H 1 0.796 0.030 . 1 . . . . 60 VAL HG2 . 10300 1 658 . 1 1 60 60 VAL C C 13 175.829 0.300 . 1 . . . . 60 VAL C . 10300 1 659 . 1 1 60 60 VAL CA C 13 60.463 0.300 . 1 . . . . 60 VAL CA . 10300 1 660 . 1 1 60 60 VAL CB C 13 34.267 0.300 . 1 . . . . 60 VAL CB . 10300 1 661 . 1 1 60 60 VAL CG1 C 13 21.375 0.300 . 2 . . . . 60 VAL CG1 . 10300 1 662 . 1 1 60 60 VAL CG2 C 13 21.176 0.300 . 2 . . . . 60 VAL CG2 . 10300 1 663 . 1 1 60 60 VAL N N 15 123.929 0.300 . 1 . . . . 60 VAL N . 10300 1 664 . 1 1 61 61 TRP H H 1 9.473 0.030 . 1 . . . . 61 TRP H . 10300 1 665 . 1 1 61 61 TRP HA H 1 5.199 0.030 . 1 . . . . 61 TRP HA . 10300 1 666 . 1 1 61 61 TRP HB2 H 1 2.979 0.030 . 2 . . . . 61 TRP HB2 . 10300 1 667 . 1 1 61 61 TRP HB3 H 1 2.917 0.030 . 2 . . . . 61 TRP HB3 . 10300 1 668 . 1 1 61 61 TRP HD1 H 1 7.260 0.030 . 1 . . . . 61 TRP HD1 . 10300 1 669 . 1 1 61 61 TRP HE1 H 1 14.392 0.030 . 1 . . . . 61 TRP HE1 . 10300 1 670 . 1 1 61 61 TRP HE3 H 1 7.193 0.030 . 1 . . . . 61 TRP HE3 . 10300 1 671 . 1 1 61 61 TRP HH2 H 1 6.946 0.030 . 1 . . . . 61 TRP HH2 . 10300 1 672 . 1 1 61 61 TRP HZ2 H 1 7.441 0.030 . 1 . . . . 61 TRP HZ2 . 10300 1 673 . 1 1 61 61 TRP HZ3 H 1 7.442 0.030 . 1 . . . . 61 TRP HZ3 . 10300 1 674 . 1 1 61 61 TRP C C 13 175.762 0.300 . 1 . . . . 61 TRP C . 10300 1 675 . 1 1 61 61 TRP CA C 13 55.431 0.300 . 1 . . . . 61 TRP CA . 10300 1 676 . 1 1 61 61 TRP CB C 13 30.069 0.300 . 1 . . . . 61 TRP CB . 10300 1 677 . 1 1 61 61 TRP CD1 C 13 128.949 0.300 . 1 . . . . 61 TRP CD1 . 10300 1 678 . 1 1 61 61 TRP CE3 C 13 121.833 0.300 . 1 . . . . 61 TRP CE3 . 10300 1 679 . 1 1 61 61 TRP CH2 C 13 122.667 0.300 . 1 . . . . 61 TRP CH2 . 10300 1 680 . 1 1 61 61 TRP CZ2 C 13 115.996 0.300 . 1 . . . . 61 TRP CZ2 . 10300 1 681 . 1 1 61 61 TRP CZ3 C 13 120.499 0.300 . 1 . . . . 61 TRP CZ3 . 10300 1 682 . 1 1 61 61 TRP N N 15 131.599 0.300 . 1 . . . . 61 TRP N . 10300 1 683 . 1 1 61 61 TRP NE1 N 15 144.357 0.300 . 1 . . . . 61 TRP NE1 . 10300 1 684 . 1 1 62 62 GLN H H 1 8.854 0.030 . 1 . . . . 62 GLN H . 10300 1 685 . 1 1 62 62 GLN HA H 1 5.389 0.030 . 1 . . . . 62 GLN HA . 10300 1 686 . 1 1 62 62 GLN HB2 H 1 2.076 0.030 . 2 . . . . 62 GLN HB2 . 10300 1 687 . 1 1 62 62 GLN HB3 H 1 1.872 0.030 . 2 . . . . 62 GLN HB3 . 10300 1 688 . 1 1 62 62 GLN HE21 H 1 7.481 0.030 . 2 . . . . 62 GLN HE21 . 10300 1 689 . 1 1 62 62 GLN HE22 H 1 6.836 0.030 . 2 . . . . 62 GLN HE22 . 10300 1 690 . 1 1 62 62 GLN HG2 H 1 2.310 0.030 . 2 . . . . 62 GLN HG2 . 10300 1 691 . 1 1 62 62 GLN HG3 H 1 2.175 0.030 . 2 . . . . 62 GLN HG3 . 10300 1 692 . 1 1 62 62 GLN C C 13 174.641 0.300 . 1 . . . . 62 GLN C . 10300 1 693 . 1 1 62 62 GLN CA C 13 54.832 0.300 . 1 . . . . 62 GLN CA . 10300 1 694 . 1 1 62 62 GLN CB C 13 32.496 0.300 . 1 . . . . 62 GLN CB . 10300 1 695 . 1 1 62 62 GLN CG C 13 34.441 0.300 . 1 . . . . 62 GLN CG . 10300 1 696 . 1 1 62 62 GLN N N 15 122.154 0.300 . 1 . . . . 62 GLN N . 10300 1 697 . 1 1 62 62 GLN NE2 N 15 112.579 0.300 . 1 . . . . 62 GLN NE2 . 10300 1 698 . 1 1 63 63 SER H H 1 8.785 0.030 . 1 . . . . 63 SER H . 10300 1 699 . 1 1 63 63 SER HA H 1 4.799 0.030 . 1 . . . . 63 SER HA . 10300 1 700 . 1 1 63 63 SER HB2 H 1 4.091 0.030 . 2 . . . . 63 SER HB2 . 10300 1 701 . 1 1 63 63 SER HB3 H 1 3.739 0.030 . 2 . . . . 63 SER HB3 . 10300 1 702 . 1 1 63 63 SER C C 13 174.282 0.300 . 1 . . . . 63 SER C . 10300 1 703 . 1 1 63 63 SER CA C 13 56.961 0.300 . 1 . . . . 63 SER CA . 10300 1 704 . 1 1 63 63 SER CB C 13 65.231 0.300 . 1 . . . . 63 SER CB . 10300 1 705 . 1 1 63 63 SER N N 15 120.205 0.300 . 1 . . . . 63 SER N . 10300 1 706 . 1 1 64 64 ALA H H 1 8.953 0.030 . 1 . . . . 64 ALA H . 10300 1 707 . 1 1 64 64 ALA HA H 1 4.189 0.030 . 1 . . . . 64 ALA HA . 10300 1 708 . 1 1 64 64 ALA HB1 H 1 1.473 0.030 . 1 . . . . 64 ALA HB . 10300 1 709 . 1 1 64 64 ALA HB2 H 1 1.473 0.030 . 1 . . . . 64 ALA HB . 10300 1 710 . 1 1 64 64 ALA HB3 H 1 1.473 0.030 . 1 . . . . 64 ALA HB . 10300 1 711 . 1 1 64 64 ALA C C 13 178.112 0.300 . 1 . . . . 64 ALA C . 10300 1 712 . 1 1 64 64 ALA CA C 13 54.297 0.300 . 1 . . . . 64 ALA CA . 10300 1 713 . 1 1 64 64 ALA CB C 13 17.554 0.300 . 1 . . . . 64 ALA CB . 10300 1 714 . 1 1 64 64 ALA N N 15 126.963 0.300 . 1 . . . . 64 ALA N . 10300 1 715 . 1 1 65 65 GLY H H 1 8.632 0.030 . 1 . . . . 65 GLY H . 10300 1 716 . 1 1 65 65 GLY HA2 H 1 4.007 0.030 . 2 . . . . 65 GLY HA2 . 10300 1 717 . 1 1 65 65 GLY HA3 H 1 3.914 0.030 . 2 . . . . 65 GLY HA3 . 10300 1 718 . 1 1 65 65 GLY C C 13 173.908 0.300 . 1 . . . . 65 GLY C . 10300 1 719 . 1 1 65 65 GLY CA C 13 45.627 0.300 . 1 . . . . 65 GLY CA . 10300 1 720 . 1 1 65 65 GLY N N 15 107.972 0.300 . 1 . . . . 65 GLY N . 10300 1 721 . 1 1 66 66 ILE H H 1 8.003 0.030 . 1 . . . . 66 ILE H . 10300 1 722 . 1 1 66 66 ILE HA H 1 4.446 0.030 . 1 . . . . 66 ILE HA . 10300 1 723 . 1 1 66 66 ILE HB H 1 1.860 0.030 . 1 . . . . 66 ILE HB . 10300 1 724 . 1 1 66 66 ILE HD11 H 1 0.862 0.030 . 1 . . . . 66 ILE HD1 . 10300 1 725 . 1 1 66 66 ILE HD12 H 1 0.862 0.030 . 1 . . . . 66 ILE HD1 . 10300 1 726 . 1 1 66 66 ILE HD13 H 1 0.862 0.030 . 1 . . . . 66 ILE HD1 . 10300 1 727 . 1 1 66 66 ILE HG12 H 1 1.492 0.030 . 2 . . . . 66 ILE HG12 . 10300 1 728 . 1 1 66 66 ILE HG13 H 1 1.137 0.030 . 2 . . . . 66 ILE HG13 . 10300 1 729 . 1 1 66 66 ILE HG21 H 1 0.846 0.030 . 1 . . . . 66 ILE HG2 . 10300 1 730 . 1 1 66 66 ILE HG22 H 1 0.846 0.030 . 1 . . . . 66 ILE HG2 . 10300 1 731 . 1 1 66 66 ILE HG23 H 1 0.846 0.030 . 1 . . . . 66 ILE HG2 . 10300 1 732 . 1 1 66 66 ILE C C 13 174.818 0.300 . 1 . . . . 66 ILE C . 10300 1 733 . 1 1 66 66 ILE CA C 13 60.358 0.300 . 1 . . . . 66 ILE CA . 10300 1 734 . 1 1 66 66 ILE CB C 13 40.487 0.300 . 1 . . . . 66 ILE CB . 10300 1 735 . 1 1 66 66 ILE CD1 C 13 12.899 0.300 . 1 . . . . 66 ILE CD1 . 10300 1 736 . 1 1 66 66 ILE CG1 C 13 27.472 0.300 . 1 . . . . 66 ILE CG1 . 10300 1 737 . 1 1 66 66 ILE CG2 C 13 17.297 0.300 . 1 . . . . 66 ILE CG2 . 10300 1 738 . 1 1 66 66 ILE N N 15 121.487 0.300 . 1 . . . . 66 ILE N . 10300 1 739 . 1 1 67 67 SER H H 1 8.450 0.030 . 1 . . . . 67 SER H . 10300 1 740 . 1 1 67 67 SER HA H 1 5.404 0.030 . 1 . . . . 67 SER HA . 10300 1 741 . 1 1 67 67 SER HB2 H 1 3.730 0.030 . 2 . . . . 67 SER HB2 . 10300 1 742 . 1 1 67 67 SER HB3 H 1 3.682 0.030 . 2 . . . . 67 SER HB3 . 10300 1 743 . 1 1 67 67 SER C C 13 173.789 0.300 . 1 . . . . 67 SER C . 10300 1 744 . 1 1 67 67 SER CA C 13 57.067 0.300 . 1 . . . . 67 SER CA . 10300 1 745 . 1 1 67 67 SER CB C 13 64.721 0.300 . 1 . . . . 67 SER CB . 10300 1 746 . 1 1 67 67 SER N N 15 121.484 0.300 . 1 . . . . 67 SER N . 10300 1 747 . 1 1 68 68 LYS H H 1 8.967 0.030 . 1 . . . . 68 LYS H . 10300 1 748 . 1 1 68 68 LYS HA H 1 4.714 0.030 . 1 . . . . 68 LYS HA . 10300 1 749 . 1 1 68 68 LYS HB2 H 1 1.749 0.030 . 2 . . . . 68 LYS HB2 . 10300 1 750 . 1 1 68 68 LYS HB3 H 1 1.650 0.030 . 2 . . . . 68 LYS HB3 . 10300 1 751 . 1 1 68 68 LYS HD2 H 1 1.528 0.030 . 2 . . . . 68 LYS HD2 . 10300 1 752 . 1 1 68 68 LYS HD3 H 1 1.466 0.030 . 2 . . . . 68 LYS HD3 . 10300 1 753 . 1 1 68 68 LYS HE2 H 1 2.821 0.030 . 1 . . . . 68 LYS HE2 . 10300 1 754 . 1 1 68 68 LYS HE3 H 1 2.821 0.030 . 1 . . . . 68 LYS HE3 . 10300 1 755 . 1 1 68 68 LYS HG2 H 1 1.300 0.030 . 1 . . . . 68 LYS HG2 . 10300 1 756 . 1 1 68 68 LYS HG3 H 1 1.300 0.030 . 1 . . . . 68 LYS HG3 . 10300 1 757 . 1 1 68 68 LYS C C 13 174.026 0.300 . 1 . . . . 68 LYS C . 10300 1 758 . 1 1 68 68 LYS CA C 13 55.255 0.300 . 1 . . . . 68 LYS CA . 10300 1 759 . 1 1 68 68 LYS CB C 13 35.908 0.300 . 1 . . . . 68 LYS CB . 10300 1 760 . 1 1 68 68 LYS CD C 13 29.530 0.300 . 1 . . . . 68 LYS CD . 10300 1 761 . 1 1 68 68 LYS CE C 13 41.805 0.300 . 1 . . . . 68 LYS CE . 10300 1 762 . 1 1 68 68 LYS CG C 13 24.588 0.300 . 1 . . . . 68 LYS CG . 10300 1 763 . 1 1 68 68 LYS N N 15 125.070 0.300 . 1 . . . . 68 LYS N . 10300 1 764 . 1 1 69 69 GLU H H 1 8.771 0.030 . 1 . . . . 69 GLU H . 10300 1 765 . 1 1 69 69 GLU HA H 1 4.775 0.030 . 1 . . . . 69 GLU HA . 10300 1 766 . 1 1 69 69 GLU HB2 H 1 1.920 0.030 . 1 . . . . 69 GLU HB2 . 10300 1 767 . 1 1 69 69 GLU HB3 H 1 1.920 0.030 . 1 . . . . 69 GLU HB3 . 10300 1 768 . 1 1 69 69 GLU HG2 H 1 2.055 0.030 . 2 . . . . 69 GLU HG2 . 10300 1 769 . 1 1 69 69 GLU HG3 H 1 2.010 0.030 . 2 . . . . 69 GLU HG3 . 10300 1 770 . 1 1 69 69 GLU C C 13 174.339 0.300 . 1 . . . . 69 GLU C . 10300 1 771 . 1 1 69 69 GLU CA C 13 55.553 0.300 . 1 . . . . 69 GLU CA . 10300 1 772 . 1 1 69 69 GLU CB C 13 30.436 0.300 . 1 . . . . 69 GLU CB . 10300 1 773 . 1 1 69 69 GLU CG C 13 35.935 0.300 . 1 . . . . 69 GLU CG . 10300 1 774 . 1 1 69 69 GLU N N 15 125.787 0.300 . 1 . . . . 69 GLU N . 10300 1 775 . 1 1 70 70 LEU H H 1 8.461 0.030 . 1 . . . . 70 LEU H . 10300 1 776 . 1 1 70 70 LEU HA H 1 4.666 0.030 . 1 . . . . 70 LEU HA . 10300 1 777 . 1 1 70 70 LEU HB2 H 1 1.139 0.030 . 2 . . . . 70 LEU HB2 . 10300 1 778 . 1 1 70 70 LEU HB3 H 1 0.517 0.030 . 2 . . . . 70 LEU HB3 . 10300 1 779 . 1 1 70 70 LEU HD11 H 1 0.776 0.030 . 1 . . . . 70 LEU HD1 . 10300 1 780 . 1 1 70 70 LEU HD12 H 1 0.776 0.030 . 1 . . . . 70 LEU HD1 . 10300 1 781 . 1 1 70 70 LEU HD13 H 1 0.776 0.030 . 1 . . . . 70 LEU HD1 . 10300 1 782 . 1 1 70 70 LEU HD21 H 1 0.848 0.030 . 1 . . . . 70 LEU HD2 . 10300 1 783 . 1 1 70 70 LEU HD22 H 1 0.848 0.030 . 1 . . . . 70 LEU HD2 . 10300 1 784 . 1 1 70 70 LEU HD23 H 1 0.848 0.030 . 1 . . . . 70 LEU HD2 . 10300 1 785 . 1 1 70 70 LEU HG H 1 1.395 0.030 . 1 . . . . 70 LEU HG . 10300 1 786 . 1 1 70 70 LEU C C 13 175.490 0.300 . 1 . . . . 70 LEU C . 10300 1 787 . 1 1 70 70 LEU CA C 13 54.251 0.300 . 1 . . . . 70 LEU CA . 10300 1 788 . 1 1 70 70 LEU CB C 13 44.440 0.300 . 1 . . . . 70 LEU CB . 10300 1 789 . 1 1 70 70 LEU CD1 C 13 26.017 0.300 . 2 . . . . 70 LEU CD1 . 10300 1 790 . 1 1 70 70 LEU CD2 C 13 24.231 0.300 . 2 . . . . 70 LEU CD2 . 10300 1 791 . 1 1 70 70 LEU CG C 13 28.094 0.300 . 1 . . . . 70 LEU CG . 10300 1 792 . 1 1 70 70 LEU N N 15 127.604 0.300 . 1 . . . . 70 LEU N . 10300 1 793 . 1 1 71 71 LEU H H 1 8.242 0.030 . 1 . . . . 71 LEU H . 10300 1 794 . 1 1 71 71 LEU HA H 1 5.536 0.030 . 1 . . . . 71 LEU HA . 10300 1 795 . 1 1 71 71 LEU HB2 H 1 1.513 0.030 . 1 . . . . 71 LEU HB2 . 10300 1 796 . 1 1 71 71 LEU HB3 H 1 1.513 0.030 . 1 . . . . 71 LEU HB3 . 10300 1 797 . 1 1 71 71 LEU HD11 H 1 0.867 0.030 . 1 . . . . 71 LEU HD1 . 10300 1 798 . 1 1 71 71 LEU HD12 H 1 0.867 0.030 . 1 . . . . 71 LEU HD1 . 10300 1 799 . 1 1 71 71 LEU HD13 H 1 0.867 0.030 . 1 . . . . 71 LEU HD1 . 10300 1 800 . 1 1 71 71 LEU HD21 H 1 0.865 0.030 . 1 . . . . 71 LEU HD2 . 10300 1 801 . 1 1 71 71 LEU HD22 H 1 0.865 0.030 . 1 . . . . 71 LEU HD2 . 10300 1 802 . 1 1 71 71 LEU HD23 H 1 0.865 0.030 . 1 . . . . 71 LEU HD2 . 10300 1 803 . 1 1 71 71 LEU HG H 1 1.471 0.030 . 1 . . . . 71 LEU HG . 10300 1 804 . 1 1 71 71 LEU C C 13 176.231 0.300 . 1 . . . . 71 LEU C . 10300 1 805 . 1 1 71 71 LEU CA C 13 53.705 0.300 . 1 . . . . 71 LEU CA . 10300 1 806 . 1 1 71 71 LEU CB C 13 45.985 0.300 . 1 . . . . 71 LEU CB . 10300 1 807 . 1 1 71 71 LEU CD1 C 13 24.670 0.300 . 2 . . . . 71 LEU CD1 . 10300 1 808 . 1 1 71 71 LEU CD2 C 13 24.423 0.300 . 2 . . . . 71 LEU CD2 . 10300 1 809 . 1 1 71 71 LEU CG C 13 27.142 0.300 . 1 . . . . 71 LEU CG . 10300 1 810 . 1 1 71 71 LEU N N 15 122.021 0.300 . 1 . . . . 71 LEU N . 10300 1 811 . 1 1 72 72 GLU H H 1 9.375 0.030 . 1 . . . . 72 GLU H . 10300 1 812 . 1 1 72 72 GLU HA H 1 4.918 0.030 . 1 . . . . 72 GLU HA . 10300 1 813 . 1 1 72 72 GLU HB2 H 1 2.118 0.030 . 2 . . . . 72 GLU HB2 . 10300 1 814 . 1 1 72 72 GLU HB3 H 1 1.929 0.030 . 2 . . . . 72 GLU HB3 . 10300 1 815 . 1 1 72 72 GLU HG2 H 1 2.227 0.030 . 2 . . . . 72 GLU HG2 . 10300 1 816 . 1 1 72 72 GLU HG3 H 1 2.185 0.030 . 2 . . . . 72 GLU HG3 . 10300 1 817 . 1 1 72 72 GLU C C 13 175.115 0.300 . 1 . . . . 72 GLU C . 10300 1 818 . 1 1 72 72 GLU CA C 13 54.075 0.300 . 1 . . . . 72 GLU CA . 10300 1 819 . 1 1 72 72 GLU CB C 13 32.851 0.300 . 1 . . . . 72 GLU CB . 10300 1 820 . 1 1 72 72 GLU CG C 13 35.215 0.300 . 1 . . . . 72 GLU CG . 10300 1 821 . 1 1 72 72 GLU N N 15 124.343 0.300 . 1 . . . . 72 GLU N . 10300 1 822 . 1 1 73 73 GLU H H 1 8.937 0.030 . 1 . . . . 73 GLU H . 10300 1 823 . 1 1 73 73 GLU HA H 1 5.119 0.030 . 1 . . . . 73 GLU HA . 10300 1 824 . 1 1 73 73 GLU HB2 H 1 2.069 0.030 . 2 . . . . 73 GLU HB2 . 10300 1 825 . 1 1 73 73 GLU HB3 H 1 1.939 0.030 . 2 . . . . 73 GLU HB3 . 10300 1 826 . 1 1 73 73 GLU HG2 H 1 2.257 0.030 . 2 . . . . 73 GLU HG2 . 10300 1 827 . 1 1 73 73 GLU HG3 H 1 2.103 0.030 . 2 . . . . 73 GLU HG3 . 10300 1 828 . 1 1 73 73 GLU C C 13 175.904 0.300 . 1 . . . . 73 GLU C . 10300 1 829 . 1 1 73 73 GLU CA C 13 55.624 0.300 . 1 . . . . 73 GLU CA . 10300 1 830 . 1 1 73 73 GLU CB C 13 31.219 0.300 . 1 . . . . 73 GLU CB . 10300 1 831 . 1 1 73 73 GLU CG C 13 36.615 0.300 . 1 . . . . 73 GLU CG . 10300 1 832 . 1 1 73 73 GLU N N 15 125.081 0.300 . 1 . . . . 73 GLU N . 10300 1 833 . 1 1 74 74 VAL H H 1 8.713 0.030 . 1 . . . . 74 VAL H . 10300 1 834 . 1 1 74 74 VAL HA H 1 4.763 0.030 . 1 . . . . 74 VAL HA . 10300 1 835 . 1 1 74 74 VAL HB H 1 2.363 0.030 . 1 . . . . 74 VAL HB . 10300 1 836 . 1 1 74 74 VAL HG11 H 1 1.281 0.030 . 1 . . . . 74 VAL HG1 . 10300 1 837 . 1 1 74 74 VAL HG12 H 1 1.281 0.030 . 1 . . . . 74 VAL HG1 . 10300 1 838 . 1 1 74 74 VAL HG13 H 1 1.281 0.030 . 1 . . . . 74 VAL HG1 . 10300 1 839 . 1 1 74 74 VAL HG21 H 1 1.128 0.030 . 1 . . . . 74 VAL HG2 . 10300 1 840 . 1 1 74 74 VAL HG22 H 1 1.128 0.030 . 1 . . . . 74 VAL HG2 . 10300 1 841 . 1 1 74 74 VAL HG23 H 1 1.128 0.030 . 1 . . . . 74 VAL HG2 . 10300 1 842 . 1 1 74 74 VAL C C 13 176.007 0.300 . 1 . . . . 74 VAL C . 10300 1 843 . 1 1 74 74 VAL CA C 13 60.076 0.300 . 1 . . . . 74 VAL CA . 10300 1 844 . 1 1 74 74 VAL CB C 13 35.504 0.300 . 1 . . . . 74 VAL CB . 10300 1 845 . 1 1 74 74 VAL CG1 C 13 21.719 0.300 . 2 . . . . 74 VAL CG1 . 10300 1 846 . 1 1 74 74 VAL CG2 C 13 20.698 0.300 . 2 . . . . 74 VAL CG2 . 10300 1 847 . 1 1 74 74 VAL N N 15 120.393 0.300 . 1 . . . . 74 VAL N . 10300 1 848 . 1 1 75 75 GLY H H 1 8.695 0.030 . 1 . . . . 75 GLY H . 10300 1 849 . 1 1 75 75 GLY HA2 H 1 4.557 0.030 . 2 . . . . 75 GLY HA2 . 10300 1 850 . 1 1 75 75 GLY HA3 H 1 4.086 0.030 . 2 . . . . 75 GLY HA3 . 10300 1 851 . 1 1 75 75 GLY C C 13 174.253 0.300 . 1 . . . . 75 GLY C . 10300 1 852 . 1 1 75 75 GLY CA C 13 45.329 0.300 . 1 . . . . 75 GLY CA . 10300 1 853 . 1 1 75 75 GLY N N 15 110.381 0.300 . 1 . . . . 75 GLY N . 10300 1 854 . 1 1 76 76 GLN H H 1 8.365 0.030 . 1 . . . . 76 GLN H . 10300 1 855 . 1 1 76 76 GLN HA H 1 4.122 0.030 . 1 . . . . 76 GLN HA . 10300 1 856 . 1 1 76 76 GLN HB2 H 1 2.126 0.030 . 2 . . . . 76 GLN HB2 . 10300 1 857 . 1 1 76 76 GLN HB3 H 1 1.776 0.030 . 2 . . . . 76 GLN HB3 . 10300 1 858 . 1 1 76 76 GLN HE21 H 1 7.538 0.030 . 2 . . . . 76 GLN HE21 . 10300 1 859 . 1 1 76 76 GLN HE22 H 1 6.888 0.030 . 2 . . . . 76 GLN HE22 . 10300 1 860 . 1 1 76 76 GLN HG2 H 1 2.359 0.030 . 2 . . . . 76 GLN HG2 . 10300 1 861 . 1 1 76 76 GLN HG3 H 1 2.302 0.030 . 2 . . . . 76 GLN HG3 . 10300 1 862 . 1 1 76 76 GLN C C 13 175.922 0.300 . 1 . . . . 76 GLN C . 10300 1 863 . 1 1 76 76 GLN CA C 13 57.490 0.300 . 1 . . . . 76 GLN CA . 10300 1 864 . 1 1 76 76 GLN CB C 13 28.808 0.300 . 1 . . . . 76 GLN CB . 10300 1 865 . 1 1 76 76 GLN CG C 13 32.890 0.300 . 1 . . . . 76 GLN CG . 10300 1 866 . 1 1 76 76 GLN N N 15 116.187 0.300 . 1 . . . . 76 GLN N . 10300 1 867 . 1 1 76 76 GLN NE2 N 15 111.719 0.300 . 1 . . . . 76 GLN NE2 . 10300 1 868 . 1 1 77 77 ASN H H 1 8.681 0.030 . 1 . . . . 77 ASN H . 10300 1 869 . 1 1 77 77 ASN HA H 1 4.824 0.030 . 1 . . . . 77 ASN HA . 10300 1 870 . 1 1 77 77 ASN HB2 H 1 2.939 0.030 . 2 . . . . 77 ASN HB2 . 10300 1 871 . 1 1 77 77 ASN HB3 H 1 2.839 0.030 . 2 . . . . 77 ASN HB3 . 10300 1 872 . 1 1 77 77 ASN HD21 H 1 7.678 0.030 . 2 . . . . 77 ASN HD21 . 10300 1 873 . 1 1 77 77 ASN HD22 H 1 7.007 0.030 . 2 . . . . 77 ASN HD22 . 10300 1 874 . 1 1 77 77 ASN C C 13 175.543 0.300 . 1 . . . . 77 ASN C . 10300 1 875 . 1 1 77 77 ASN CA C 13 53.530 0.300 . 1 . . . . 77 ASN CA . 10300 1 876 . 1 1 77 77 ASN CB C 13 38.327 0.300 . 1 . . . . 77 ASN CB . 10300 1 877 . 1 1 77 77 ASN N N 15 118.065 0.300 . 1 . . . . 77 ASN N . 10300 1 878 . 1 1 77 77 ASN ND2 N 15 113.431 0.300 . 1 . . . . 77 ASN ND2 . 10300 1 879 . 1 1 78 78 GLY H H 1 8.199 0.030 . 1 . . . . 78 GLY H . 10300 1 880 . 1 1 78 78 GLY HA2 H 1 4.027 0.030 . 2 . . . . 78 GLY HA2 . 10300 1 881 . 1 1 78 78 GLY HA3 H 1 3.897 0.030 . 2 . . . . 78 GLY HA3 . 10300 1 882 . 1 1 78 78 GLY C C 13 173.131 0.300 . 1 . . . . 78 GLY C . 10300 1 883 . 1 1 78 78 GLY CA C 13 45.768 0.300 . 1 . . . . 78 GLY CA . 10300 1 884 . 1 1 78 78 GLY N N 15 109.765 0.300 . 1 . . . . 78 GLY N . 10300 1 885 . 1 1 79 79 SER H H 1 8.259 0.030 . 1 . . . . 79 SER H . 10300 1 886 . 1 1 79 79 SER HA H 1 3.035 0.030 . 1 . . . . 79 SER HA . 10300 1 887 . 1 1 79 79 SER HB2 H 1 3.328 0.030 . 2 . . . . 79 SER HB2 . 10300 1 888 . 1 1 79 79 SER HB3 H 1 3.108 0.030 . 2 . . . . 79 SER HB3 . 10300 1 889 . 1 1 79 79 SER C C 13 171.022 0.300 . 1 . . . . 79 SER C . 10300 1 890 . 1 1 79 79 SER CA C 13 56.445 0.300 . 1 . . . . 79 SER CA . 10300 1 891 . 1 1 79 79 SER CB C 13 62.985 0.300 . 1 . . . . 79 SER CB . 10300 1 892 . 1 1 79 79 SER N N 15 111.528 0.300 . 1 . . . . 79 SER N . 10300 1 893 . 1 1 80 80 ARG H H 1 6.676 0.030 . 1 . . . . 80 ARG H . 10300 1 894 . 1 1 80 80 ARG HA H 1 4.872 0.030 . 1 . . . . 80 ARG HA . 10300 1 895 . 1 1 80 80 ARG HB2 H 1 1.567 0.030 . 1 . . . . 80 ARG HB2 . 10300 1 896 . 1 1 80 80 ARG HB3 H 1 1.567 0.030 . 1 . . . . 80 ARG HB3 . 10300 1 897 . 1 1 80 80 ARG HD2 H 1 2.943 0.030 . 2 . . . . 80 ARG HD2 . 10300 1 898 . 1 1 80 80 ARG HD3 H 1 2.813 0.030 . 2 . . . . 80 ARG HD3 . 10300 1 899 . 1 1 80 80 ARG HG2 H 1 1.409 0.030 . 2 . . . . 80 ARG HG2 . 10300 1 900 . 1 1 80 80 ARG HG3 H 1 1.364 0.030 . 2 . . . . 80 ARG HG3 . 10300 1 901 . 1 1 80 80 ARG C C 13 174.666 0.300 . 1 . . . . 80 ARG C . 10300 1 902 . 1 1 80 80 ARG CA C 13 54.058 0.300 . 1 . . . . 80 ARG CA . 10300 1 903 . 1 1 80 80 ARG CB C 13 33.526 0.300 . 1 . . . . 80 ARG CB . 10300 1 904 . 1 1 80 80 ARG CD C 13 43.934 0.300 . 1 . . . . 80 ARG CD . 10300 1 905 . 1 1 80 80 ARG CG C 13 25.879 0.300 . 1 . . . . 80 ARG CG . 10300 1 906 . 1 1 80 80 ARG N N 15 117.516 0.300 . 1 . . . . 80 ARG N . 10300 1 907 . 1 1 81 81 ALA H H 1 9.382 0.030 . 1 . . . . 81 ALA H . 10300 1 908 . 1 1 81 81 ALA HA H 1 4.688 0.030 . 1 . . . . 81 ALA HA . 10300 1 909 . 1 1 81 81 ALA HB1 H 1 1.437 0.030 . 1 . . . . 81 ALA HB . 10300 1 910 . 1 1 81 81 ALA HB2 H 1 1.437 0.030 . 1 . . . . 81 ALA HB . 10300 1 911 . 1 1 81 81 ALA HB3 H 1 1.437 0.030 . 1 . . . . 81 ALA HB . 10300 1 912 . 1 1 81 81 ALA C C 13 174.519 0.300 . 1 . . . . 81 ALA C . 10300 1 913 . 1 1 81 81 ALA CA C 13 51.729 0.300 . 1 . . . . 81 ALA CA . 10300 1 914 . 1 1 81 81 ALA CB C 13 22.821 0.300 . 1 . . . . 81 ALA CB . 10300 1 915 . 1 1 81 81 ALA N N 15 123.981 0.300 . 1 . . . . 81 ALA N . 10300 1 916 . 1 1 82 82 ARG H H 1 8.463 0.030 . 1 . . . . 82 ARG H . 10300 1 917 . 1 1 82 82 ARG HA H 1 5.431 0.030 . 1 . . . . 82 ARG HA . 10300 1 918 . 1 1 82 82 ARG HB2 H 1 1.715 0.030 . 2 . . . . 82 ARG HB2 . 10300 1 919 . 1 1 82 82 ARG HB3 H 1 1.648 0.030 . 2 . . . . 82 ARG HB3 . 10300 1 920 . 1 1 82 82 ARG HD2 H 1 3.037 0.030 . 2 . . . . 82 ARG HD2 . 10300 1 921 . 1 1 82 82 ARG HD3 H 1 2.993 0.030 . 2 . . . . 82 ARG HD3 . 10300 1 922 . 1 1 82 82 ARG HG2 H 1 1.435 0.030 . 1 . . . . 82 ARG HG2 . 10300 1 923 . 1 1 82 82 ARG HG3 H 1 1.435 0.030 . 1 . . . . 82 ARG HG3 . 10300 1 924 . 1 1 82 82 ARG C C 13 175.427 0.300 . 1 . . . . 82 ARG C . 10300 1 925 . 1 1 82 82 ARG CA C 13 54.847 0.300 . 1 . . . . 82 ARG CA . 10300 1 926 . 1 1 82 82 ARG CB C 13 32.945 0.300 . 1 . . . . 82 ARG CB . 10300 1 927 . 1 1 82 82 ARG CD C 13 43.556 0.300 . 1 . . . . 82 ARG CD . 10300 1 928 . 1 1 82 82 ARG CG C 13 27.067 0.300 . 1 . . . . 82 ARG CG . 10300 1 929 . 1 1 82 82 ARG N N 15 121.966 0.300 . 1 . . . . 82 ARG N . 10300 1 930 . 1 1 83 83 ILE H H 1 8.816 0.030 . 1 . . . . 83 ILE H . 10300 1 931 . 1 1 83 83 ILE HA H 1 4.587 0.030 . 1 . . . . 83 ILE HA . 10300 1 932 . 1 1 83 83 ILE HB H 1 1.618 0.030 . 1 . . . . 83 ILE HB . 10300 1 933 . 1 1 83 83 ILE HD11 H 1 0.220 0.030 . 1 . . . . 83 ILE HD1 . 10300 1 934 . 1 1 83 83 ILE HD12 H 1 0.220 0.030 . 1 . . . . 83 ILE HD1 . 10300 1 935 . 1 1 83 83 ILE HD13 H 1 0.220 0.030 . 1 . . . . 83 ILE HD1 . 10300 1 936 . 1 1 83 83 ILE HG12 H 1 1.243 0.030 . 2 . . . . 83 ILE HG12 . 10300 1 937 . 1 1 83 83 ILE HG13 H 1 0.840 0.030 . 2 . . . . 83 ILE HG13 . 10300 1 938 . 1 1 83 83 ILE HG21 H 1 0.619 0.030 . 1 . . . . 83 ILE HG2 . 10300 1 939 . 1 1 83 83 ILE HG22 H 1 0.619 0.030 . 1 . . . . 83 ILE HG2 . 10300 1 940 . 1 1 83 83 ILE HG23 H 1 0.619 0.030 . 1 . . . . 83 ILE HG2 . 10300 1 941 . 1 1 83 83 ILE C C 13 175.252 0.300 . 1 . . . . 83 ILE C . 10300 1 942 . 1 1 83 83 ILE CA C 13 58.824 0.300 . 1 . . . . 83 ILE CA . 10300 1 943 . 1 1 83 83 ILE CB C 13 41.408 0.300 . 1 . . . . 83 ILE CB . 10300 1 944 . 1 1 83 83 ILE CD1 C 13 12.323 0.300 . 1 . . . . 83 ILE CD1 . 10300 1 945 . 1 1 83 83 ILE CG1 C 13 26.444 0.300 . 1 . . . . 83 ILE CG1 . 10300 1 946 . 1 1 83 83 ILE CG2 C 13 16.602 0.300 . 1 . . . . 83 ILE CG2 . 10300 1 947 . 1 1 83 83 ILE N N 15 122.127 0.300 . 1 . . . . 83 ILE N . 10300 1 948 . 1 1 84 84 SER H H 1 8.779 0.030 . 1 . . . . 84 SER H . 10300 1 949 . 1 1 84 84 SER HA H 1 4.545 0.030 . 1 . . . . 84 SER HA . 10300 1 950 . 1 1 84 84 SER HB2 H 1 3.779 0.030 . 2 . . . . 84 SER HB2 . 10300 1 951 . 1 1 84 84 SER HB3 H 1 3.664 0.030 . 2 . . . . 84 SER HB3 . 10300 1 952 . 1 1 84 84 SER C C 13 174.666 0.300 . 1 . . . . 84 SER C . 10300 1 953 . 1 1 84 84 SER CA C 13 58.270 0.300 . 1 . . . . 84 SER CA . 10300 1 954 . 1 1 84 84 SER CB C 13 63.412 0.300 . 1 . . . . 84 SER CB . 10300 1 955 . 1 1 84 84 SER N N 15 121.307 0.300 . 1 . . . . 84 SER N . 10300 1 956 . 1 1 85 85 VAL H H 1 7.785 0.030 . 1 . . . . 85 VAL H . 10300 1 957 . 1 1 85 85 VAL HA H 1 3.559 0.030 . 1 . . . . 85 VAL HA . 10300 1 958 . 1 1 85 85 VAL HB H 1 1.521 0.030 . 1 . . . . 85 VAL HB . 10300 1 959 . 1 1 85 85 VAL HG11 H 1 0.021 0.030 . 1 . . . . 85 VAL HG1 . 10300 1 960 . 1 1 85 85 VAL HG12 H 1 0.021 0.030 . 1 . . . . 85 VAL HG1 . 10300 1 961 . 1 1 85 85 VAL HG13 H 1 0.021 0.030 . 1 . . . . 85 VAL HG1 . 10300 1 962 . 1 1 85 85 VAL HG21 H 1 0.717 0.030 . 1 . . . . 85 VAL HG2 . 10300 1 963 . 1 1 85 85 VAL HG22 H 1 0.717 0.030 . 1 . . . . 85 VAL HG2 . 10300 1 964 . 1 1 85 85 VAL HG23 H 1 0.717 0.030 . 1 . . . . 85 VAL HG2 . 10300 1 965 . 1 1 85 85 VAL C C 13 176.966 0.300 . 1 . . . . 85 VAL C . 10300 1 966 . 1 1 85 85 VAL CA C 13 64.066 0.300 . 1 . . . . 85 VAL CA . 10300 1 967 . 1 1 85 85 VAL CB C 13 31.766 0.300 . 1 . . . . 85 VAL CB . 10300 1 968 . 1 1 85 85 VAL CG1 C 13 21.461 0.300 . 2 . . . . 85 VAL CG1 . 10300 1 969 . 1 1 85 85 VAL CG2 C 13 22.860 0.300 . 2 . . . . 85 VAL CG2 . 10300 1 970 . 1 1 85 85 VAL N N 15 122.607 0.300 . 1 . . . . 85 VAL N . 10300 1 971 . 1 1 86 86 GLN H H 1 4.276 0.030 . 1 . . . . 86 GLN H . 10300 1 972 . 1 1 86 86 GLN HA H 1 3.387 0.030 . 1 . . . . 86 GLN HA . 10300 1 973 . 1 1 86 86 GLN HB2 H 1 1.252 0.030 . 2 . . . . 86 GLN HB2 . 10300 1 974 . 1 1 86 86 GLN HB3 H 1 -0.571 0.030 . 2 . . . . 86 GLN HB3 . 10300 1 975 . 1 1 86 86 GLN HE21 H 1 7.481 0.030 . 2 . . . . 86 GLN HE21 . 10300 1 976 . 1 1 86 86 GLN HE22 H 1 6.831 0.030 . 2 . . . . 86 GLN HE22 . 10300 1 977 . 1 1 86 86 GLN HG2 H 1 1.691 0.030 . 2 . . . . 86 GLN HG2 . 10300 1 978 . 1 1 86 86 GLN HG3 H 1 1.447 0.030 . 2 . . . . 86 GLN HG3 . 10300 1 979 . 1 1 86 86 GLN C C 13 174.821 0.300 . 1 . . . . 86 GLN C . 10300 1 980 . 1 1 86 86 GLN CA C 13 55.518 0.300 . 1 . . . . 86 GLN CA . 10300 1 981 . 1 1 86 86 GLN CB C 13 28.457 0.300 . 1 . . . . 86 GLN CB . 10300 1 982 . 1 1 86 86 GLN CG C 13 32.403 0.300 . 1 . . . . 86 GLN CG . 10300 1 983 . 1 1 86 86 GLN N N 15 125.546 0.300 . 1 . . . . 86 GLN N . 10300 1 984 . 1 1 86 86 GLN NE2 N 15 115.738 0.300 . 1 . . . . 86 GLN NE2 . 10300 1 985 . 1 1 87 87 VAL H H 1 5.951 0.030 . 1 . . . . 87 VAL H . 10300 1 986 . 1 1 87 87 VAL HA H 1 3.947 0.030 . 1 . . . . 87 VAL HA . 10300 1 987 . 1 1 87 87 VAL HB H 1 1.842 0.030 . 1 . . . . 87 VAL HB . 10300 1 988 . 1 1 87 87 VAL HG11 H 1 0.923 0.030 . 1 . . . . 87 VAL HG1 . 10300 1 989 . 1 1 87 87 VAL HG12 H 1 0.923 0.030 . 1 . . . . 87 VAL HG1 . 10300 1 990 . 1 1 87 87 VAL HG13 H 1 0.923 0.030 . 1 . . . . 87 VAL HG1 . 10300 1 991 . 1 1 87 87 VAL HG21 H 1 0.769 0.030 . 1 . . . . 87 VAL HG2 . 10300 1 992 . 1 1 87 87 VAL HG22 H 1 0.769 0.030 . 1 . . . . 87 VAL HG2 . 10300 1 993 . 1 1 87 87 VAL HG23 H 1 0.769 0.030 . 1 . . . . 87 VAL HG2 . 10300 1 994 . 1 1 87 87 VAL C C 13 172.161 0.300 . 1 . . . . 87 VAL C . 10300 1 995 . 1 1 87 87 VAL CA C 13 60.803 0.300 . 1 . . . . 87 VAL CA . 10300 1 996 . 1 1 87 87 VAL CB C 13 35.223 0.300 . 1 . . . . 87 VAL CB . 10300 1 997 . 1 1 87 87 VAL CG1 C 13 21.181 0.300 . 2 . . . . 87 VAL CG1 . 10300 1 998 . 1 1 87 87 VAL CG2 C 13 20.897 0.300 . 2 . . . . 87 VAL CG2 . 10300 1 999 . 1 1 87 87 VAL N N 15 116.478 0.300 . 1 . . . . 87 VAL N . 10300 1 1000 . 1 1 88 88 HIS H H 1 8.004 0.030 . 1 . . . . 88 HIS H . 10300 1 1001 . 1 1 88 88 HIS HA H 1 4.337 0.030 . 1 . . . . 88 HIS HA . 10300 1 1002 . 1 1 88 88 HIS HB2 H 1 3.284 0.030 . 2 . . . . 88 HIS HB2 . 10300 1 1003 . 1 1 88 88 HIS HB3 H 1 2.824 0.030 . 2 . . . . 88 HIS HB3 . 10300 1 1004 . 1 1 88 88 HIS HD2 H 1 7.086 0.030 . 1 . . . . 88 HIS HD2 . 10300 1 1005 . 1 1 88 88 HIS HE1 H 1 8.015 0.030 . 1 . . . . 88 HIS HE1 . 10300 1 1006 . 1 1 88 88 HIS C C 13 175.536 0.300 . 1 . . . . 88 HIS C . 10300 1 1007 . 1 1 88 88 HIS CA C 13 56.574 0.300 . 1 . . . . 88 HIS CA . 10300 1 1008 . 1 1 88 88 HIS CB C 13 31.178 0.300 . 1 . . . . 88 HIS CB . 10300 1 1009 . 1 1 88 88 HIS CD2 C 13 119.476 0.300 . 1 . . . . 88 HIS CD2 . 10300 1 1010 . 1 1 88 88 HIS CE1 C 13 137.362 0.300 . 1 . . . . 88 HIS CE1 . 10300 1 1011 . 1 1 88 88 HIS N N 15 120.399 0.300 . 1 . . . . 88 HIS N . 10300 1 1012 . 1 1 89 89 ASN H H 1 7.715 0.030 . 1 . . . . 89 ASN H . 10300 1 1013 . 1 1 89 89 ASN HA H 1 4.480 0.030 . 1 . . . . 89 ASN HA . 10300 1 1014 . 1 1 89 89 ASN HB2 H 1 3.614 0.030 . 2 . . . . 89 ASN HB2 . 10300 1 1015 . 1 1 89 89 ASN HB3 H 1 2.402 0.030 . 2 . . . . 89 ASN HB3 . 10300 1 1016 . 1 1 89 89 ASN HD21 H 1 7.724 0.030 . 2 . . . . 89 ASN HD21 . 10300 1 1017 . 1 1 89 89 ASN HD22 H 1 6.919 0.030 . 2 . . . . 89 ASN HD22 . 10300 1 1018 . 1 1 89 89 ASN C C 13 174.673 0.300 . 1 . . . . 89 ASN C . 10300 1 1019 . 1 1 89 89 ASN CA C 13 54.110 0.300 . 1 . . . . 89 ASN CA . 10300 1 1020 . 1 1 89 89 ASN CB C 13 37.065 0.300 . 1 . . . . 89 ASN CB . 10300 1 1021 . 1 1 89 89 ASN N N 15 120.537 0.300 . 1 . . . . 89 ASN N . 10300 1 1022 . 1 1 89 89 ASN ND2 N 15 110.949 0.300 . 1 . . . . 89 ASN ND2 . 10300 1 1023 . 1 1 90 90 ALA H H 1 7.871 0.030 . 1 . . . . 90 ALA H . 10300 1 1024 . 1 1 90 90 ALA HA H 1 5.086 0.030 . 1 . . . . 90 ALA HA . 10300 1 1025 . 1 1 90 90 ALA HB1 H 1 1.184 0.030 . 1 . . . . 90 ALA HB . 10300 1 1026 . 1 1 90 90 ALA HB2 H 1 1.184 0.030 . 1 . . . . 90 ALA HB . 10300 1 1027 . 1 1 90 90 ALA HB3 H 1 1.184 0.030 . 1 . . . . 90 ALA HB . 10300 1 1028 . 1 1 90 90 ALA C C 13 175.461 0.300 . 1 . . . . 90 ALA C . 10300 1 1029 . 1 1 90 90 ALA CA C 13 50.713 0.300 . 1 . . . . 90 ALA CA . 10300 1 1030 . 1 1 90 90 ALA CB C 13 24.468 0.300 . 1 . . . . 90 ALA CB . 10300 1 1031 . 1 1 90 90 ALA N N 15 120.652 0.300 . 1 . . . . 90 ALA N . 10300 1 1032 . 1 1 91 91 THR H H 1 8.634 0.030 . 1 . . . . 91 THR H . 10300 1 1033 . 1 1 91 91 THR HA H 1 5.040 0.030 . 1 . . . . 91 THR HA . 10300 1 1034 . 1 1 91 91 THR HB H 1 3.932 0.030 . 1 . . . . 91 THR HB . 10300 1 1035 . 1 1 91 91 THR HG21 H 1 1.166 0.030 . 1 . . . . 91 THR HG2 . 10300 1 1036 . 1 1 91 91 THR HG22 H 1 1.166 0.030 . 1 . . . . 91 THR HG2 . 10300 1 1037 . 1 1 91 91 THR HG23 H 1 1.166 0.030 . 1 . . . . 91 THR HG2 . 10300 1 1038 . 1 1 91 91 THR C C 13 173.475 0.300 . 1 . . . . 91 THR C . 10300 1 1039 . 1 1 91 91 THR CA C 13 60.886 0.300 . 1 . . . . 91 THR CA . 10300 1 1040 . 1 1 91 91 THR CB C 13 70.799 0.300 . 1 . . . . 91 THR CB . 10300 1 1041 . 1 1 91 91 THR CG2 C 13 21.787 0.300 . 1 . . . . 91 THR CG2 . 10300 1 1042 . 1 1 91 91 THR N N 15 110.345 0.300 . 1 . . . . 91 THR N . 10300 1 1043 . 1 1 92 92 CYS H H 1 8.727 0.030 . 1 . . . . 92 CYS H . 10300 1 1044 . 1 1 92 92 CYS HA H 1 4.541 0.030 . 1 . . . . 92 CYS HA . 10300 1 1045 . 1 1 92 92 CYS HB2 H 1 1.884 0.030 . 2 . . . . 92 CYS HB2 . 10300 1 1046 . 1 1 92 92 CYS HB3 H 1 0.868 0.030 . 2 . . . . 92 CYS HB3 . 10300 1 1047 . 1 1 92 92 CYS C C 13 173.558 0.300 . 1 . . . . 92 CYS C . 10300 1 1048 . 1 1 92 92 CYS CA C 13 56.604 0.300 . 1 . . . . 92 CYS CA . 10300 1 1049 . 1 1 92 92 CYS CB C 13 27.871 0.300 . 1 . . . . 92 CYS CB . 10300 1 1050 . 1 1 92 92 CYS N N 15 124.972 0.300 . 1 . . . . 92 CYS N . 10300 1 1051 . 1 1 93 93 THR H H 1 8.849 0.030 . 1 . . . . 93 THR H . 10300 1 1052 . 1 1 93 93 THR HA H 1 4.920 0.030 . 1 . . . . 93 THR HA . 10300 1 1053 . 1 1 93 93 THR HB H 1 3.740 0.030 . 1 . . . . 93 THR HB . 10300 1 1054 . 1 1 93 93 THR HG21 H 1 0.936 0.030 . 1 . . . . 93 THR HG2 . 10300 1 1055 . 1 1 93 93 THR HG22 H 1 0.936 0.030 . 1 . . . . 93 THR HG2 . 10300 1 1056 . 1 1 93 93 THR HG23 H 1 0.936 0.030 . 1 . . . . 93 THR HG2 . 10300 1 1057 . 1 1 93 93 THR C C 13 174.757 0.300 . 1 . . . . 93 THR C . 10300 1 1058 . 1 1 93 93 THR CA C 13 61.836 0.300 . 1 . . . . 93 THR CA . 10300 1 1059 . 1 1 93 93 THR CB C 13 69.463 0.300 . 1 . . . . 93 THR CB . 10300 1 1060 . 1 1 93 93 THR CG2 C 13 22.116 0.300 . 1 . . . . 93 THR CG2 . 10300 1 1061 . 1 1 93 93 THR N N 15 125.173 0.300 . 1 . . . . 93 THR N . 10300 1 1062 . 1 1 94 94 VAL H H 1 9.346 0.030 . 1 . . . . 94 VAL H . 10300 1 1063 . 1 1 94 94 VAL HA H 1 5.068 0.030 . 1 . . . . 94 VAL HA . 10300 1 1064 . 1 1 94 94 VAL HB H 1 1.707 0.030 . 1 . . . . 94 VAL HB . 10300 1 1065 . 1 1 94 94 VAL HG11 H 1 0.637 0.030 . 1 . . . . 94 VAL HG1 . 10300 1 1066 . 1 1 94 94 VAL HG12 H 1 0.637 0.030 . 1 . . . . 94 VAL HG1 . 10300 1 1067 . 1 1 94 94 VAL HG13 H 1 0.637 0.030 . 1 . . . . 94 VAL HG1 . 10300 1 1068 . 1 1 94 94 VAL HG21 H 1 0.693 0.030 . 1 . . . . 94 VAL HG2 . 10300 1 1069 . 1 1 94 94 VAL HG22 H 1 0.693 0.030 . 1 . . . . 94 VAL HG2 . 10300 1 1070 . 1 1 94 94 VAL HG23 H 1 0.693 0.030 . 1 . . . . 94 VAL HG2 . 10300 1 1071 . 1 1 94 94 VAL C C 13 175.327 0.300 . 1 . . . . 94 VAL C . 10300 1 1072 . 1 1 94 94 VAL CA C 13 61.167 0.300 . 1 . . . . 94 VAL CA . 10300 1 1073 . 1 1 94 94 VAL CB C 13 35.128 0.300 . 1 . . . . 94 VAL CB . 10300 1 1074 . 1 1 94 94 VAL CG1 C 13 21.398 0.300 . 2 . . . . 94 VAL CG1 . 10300 1 1075 . 1 1 94 94 VAL CG2 C 13 22.211 0.300 . 2 . . . . 94 VAL CG2 . 10300 1 1076 . 1 1 94 94 VAL N N 15 129.725 0.300 . 1 . . . . 94 VAL N . 10300 1 1077 . 1 1 95 95 ARG H H 1 8.903 0.030 . 1 . . . . 95 ARG H . 10300 1 1078 . 1 1 95 95 ARG HA H 1 4.458 0.030 . 1 . . . . 95 ARG HA . 10300 1 1079 . 1 1 95 95 ARG HB2 H 1 2.071 0.030 . 2 . . . . 95 ARG HB2 . 10300 1 1080 . 1 1 95 95 ARG HB3 H 1 1.374 0.030 . 2 . . . . 95 ARG HB3 . 10300 1 1081 . 1 1 95 95 ARG HD2 H 1 2.938 0.030 . 2 . . . . 95 ARG HD2 . 10300 1 1082 . 1 1 95 95 ARG HD3 H 1 2.813 0.030 . 2 . . . . 95 ARG HD3 . 10300 1 1083 . 1 1 95 95 ARG HE H 1 7.020 0.030 . 1 . . . . 95 ARG HE . 10300 1 1084 . 1 1 95 95 ARG HG2 H 1 1.640 0.030 . 2 . . . . 95 ARG HG2 . 10300 1 1085 . 1 1 95 95 ARG HG3 H 1 1.388 0.030 . 2 . . . . 95 ARG HG3 . 10300 1 1086 . 1 1 95 95 ARG C C 13 173.734 0.300 . 1 . . . . 95 ARG C . 10300 1 1087 . 1 1 95 95 ARG CA C 13 55.250 0.300 . 1 . . . . 95 ARG CA . 10300 1 1088 . 1 1 95 95 ARG CB C 13 35.937 0.300 . 1 . . . . 95 ARG CB . 10300 1 1089 . 1 1 95 95 ARG CD C 13 43.947 0.300 . 1 . . . . 95 ARG CD . 10300 1 1090 . 1 1 95 95 ARG CG C 13 27.358 0.300 . 1 . . . . 95 ARG CG . 10300 1 1091 . 1 1 95 95 ARG N N 15 125.800 0.300 . 1 . . . . 95 ARG N . 10300 1 1092 . 1 1 95 95 ARG NE N 15 83.618 0.300 . 1 . . . . 95 ARG NE . 10300 1 1093 . 1 1 96 96 ILE H H 1 9.081 0.030 . 1 . . . . 96 ILE H . 10300 1 1094 . 1 1 96 96 ILE HA H 1 5.262 0.030 . 1 . . . . 96 ILE HA . 10300 1 1095 . 1 1 96 96 ILE HB H 1 1.074 0.030 . 1 . . . . 96 ILE HB . 10300 1 1096 . 1 1 96 96 ILE HD11 H 1 -0.098 0.030 . 1 . . . . 96 ILE HD1 . 10300 1 1097 . 1 1 96 96 ILE HD12 H 1 -0.098 0.030 . 1 . . . . 96 ILE HD1 . 10300 1 1098 . 1 1 96 96 ILE HD13 H 1 -0.098 0.030 . 1 . . . . 96 ILE HD1 . 10300 1 1099 . 1 1 96 96 ILE HG12 H 1 1.066 0.030 . 2 . . . . 96 ILE HG12 . 10300 1 1100 . 1 1 96 96 ILE HG13 H 1 0.611 0.030 . 2 . . . . 96 ILE HG13 . 10300 1 1101 . 1 1 96 96 ILE HG21 H 1 -0.074 0.030 . 1 . . . . 96 ILE HG2 . 10300 1 1102 . 1 1 96 96 ILE HG22 H 1 -0.074 0.030 . 1 . . . . 96 ILE HG2 . 10300 1 1103 . 1 1 96 96 ILE HG23 H 1 -0.074 0.030 . 1 . . . . 96 ILE HG2 . 10300 1 1104 . 1 1 96 96 ILE C C 13 173.800 0.300 . 1 . . . . 96 ILE C . 10300 1 1105 . 1 1 96 96 ILE CA C 13 59.795 0.300 . 1 . . . . 96 ILE CA . 10300 1 1106 . 1 1 96 96 ILE CB C 13 40.699 0.300 . 1 . . . . 96 ILE CB . 10300 1 1107 . 1 1 96 96 ILE CD1 C 13 14.311 0.300 . 1 . . . . 96 ILE CD1 . 10300 1 1108 . 1 1 96 96 ILE CG1 C 13 27.389 0.300 . 1 . . . . 96 ILE CG1 . 10300 1 1109 . 1 1 96 96 ILE CG2 C 13 16.520 0.300 . 1 . . . . 96 ILE CG2 . 10300 1 1110 . 1 1 96 96 ILE N N 15 120.997 0.300 . 1 . . . . 96 ILE N . 10300 1 1111 . 1 1 97 97 ALA H H 1 8.811 0.030 . 1 . . . . 97 ALA H . 10300 1 1112 . 1 1 97 97 ALA HA H 1 4.625 0.030 . 1 . . . . 97 ALA HA . 10300 1 1113 . 1 1 97 97 ALA HB1 H 1 0.049 0.030 . 1 . . . . 97 ALA HB . 10300 1 1114 . 1 1 97 97 ALA HB2 H 1 0.049 0.030 . 1 . . . . 97 ALA HB . 10300 1 1115 . 1 1 97 97 ALA HB3 H 1 0.049 0.030 . 1 . . . . 97 ALA HB . 10300 1 1116 . 1 1 97 97 ALA C C 13 176.521 0.300 . 1 . . . . 97 ALA C . 10300 1 1117 . 1 1 97 97 ALA CA C 13 50.291 0.300 . 1 . . . . 97 ALA CA . 10300 1 1118 . 1 1 97 97 ALA CB C 13 22.448 0.300 . 1 . . . . 97 ALA CB . 10300 1 1119 . 1 1 97 97 ALA N N 15 129.700 0.300 . 1 . . . . 97 ALA N . 10300 1 1120 . 1 1 98 98 ALA H H 1 9.400 0.030 . 1 . . . . 98 ALA H . 10300 1 1121 . 1 1 98 98 ALA HA H 1 4.480 0.030 . 1 . . . . 98 ALA HA . 10300 1 1122 . 1 1 98 98 ALA HB1 H 1 1.241 0.030 . 1 . . . . 98 ALA HB . 10300 1 1123 . 1 1 98 98 ALA HB2 H 1 1.241 0.030 . 1 . . . . 98 ALA HB . 10300 1 1124 . 1 1 98 98 ALA HB3 H 1 1.241 0.030 . 1 . . . . 98 ALA HB . 10300 1 1125 . 1 1 98 98 ALA C C 13 175.011 0.300 . 1 . . . . 98 ALA C . 10300 1 1126 . 1 1 98 98 ALA CA C 13 51.144 0.300 . 1 . . . . 98 ALA CA . 10300 1 1127 . 1 1 98 98 ALA CB C 13 20.482 0.300 . 1 . . . . 98 ALA CB . 10300 1 1128 . 1 1 98 98 ALA N N 15 123.529 0.300 . 1 . . . . 98 ALA N . 10300 1 1129 . 1 1 99 99 VAL H H 1 8.105 0.030 . 1 . . . . 99 VAL H . 10300 1 1130 . 1 1 99 99 VAL HA H 1 4.473 0.030 . 1 . . . . 99 VAL HA . 10300 1 1131 . 1 1 99 99 VAL HB H 1 1.392 0.030 . 1 . . . . 99 VAL HB . 10300 1 1132 . 1 1 99 99 VAL HG11 H 1 0.695 0.030 . 1 . . . . 99 VAL HG1 . 10300 1 1133 . 1 1 99 99 VAL HG12 H 1 0.695 0.030 . 1 . . . . 99 VAL HG1 . 10300 1 1134 . 1 1 99 99 VAL HG13 H 1 0.695 0.030 . 1 . . . . 99 VAL HG1 . 10300 1 1135 . 1 1 99 99 VAL HG21 H 1 0.640 0.030 . 1 . . . . 99 VAL HG2 . 10300 1 1136 . 1 1 99 99 VAL HG22 H 1 0.640 0.030 . 1 . . . . 99 VAL HG2 . 10300 1 1137 . 1 1 99 99 VAL HG23 H 1 0.640 0.030 . 1 . . . . 99 VAL HG2 . 10300 1 1138 . 1 1 99 99 VAL C C 13 175.918 0.300 . 1 . . . . 99 VAL C . 10300 1 1139 . 1 1 99 99 VAL CA C 13 61.555 0.300 . 1 . . . . 99 VAL CA . 10300 1 1140 . 1 1 99 99 VAL CB C 13 34.045 0.300 . 1 . . . . 99 VAL CB . 10300 1 1141 . 1 1 99 99 VAL CG1 C 13 21.399 0.300 . 2 . . . . 99 VAL CG1 . 10300 1 1142 . 1 1 99 99 VAL CG2 C 13 21.372 0.300 . 2 . . . . 99 VAL CG2 . 10300 1 1143 . 1 1 99 99 VAL N N 15 120.034 0.300 . 1 . . . . 99 VAL N . 10300 1 1144 . 1 1 100 100 THR H H 1 8.696 0.030 . 1 . . . . 100 THR H . 10300 1 1145 . 1 1 100 100 THR HA H 1 5.101 0.030 . 1 . . . . 100 THR HA . 10300 1 1146 . 1 1 100 100 THR HB H 1 4.579 0.030 . 1 . . . . 100 THR HB . 10300 1 1147 . 1 1 100 100 THR HG21 H 1 1.029 0.030 . 1 . . . . 100 THR HG2 . 10300 1 1148 . 1 1 100 100 THR HG22 H 1 1.029 0.030 . 1 . . . . 100 THR HG2 . 10300 1 1149 . 1 1 100 100 THR HG23 H 1 1.029 0.030 . 1 . . . . 100 THR HG2 . 10300 1 1150 . 1 1 100 100 THR C C 13 176.312 0.300 . 1 . . . . 100 THR C . 10300 1 1151 . 1 1 100 100 THR CA C 13 59.515 0.300 . 1 . . . . 100 THR CA . 10300 1 1152 . 1 1 100 100 THR CB C 13 72.232 0.300 . 1 . . . . 100 THR CB . 10300 1 1153 . 1 1 100 100 THR CG2 C 13 21.898 0.300 . 1 . . . . 100 THR CG2 . 10300 1 1154 . 1 1 100 100 THR N N 15 116.906 0.300 . 1 . . . . 100 THR N . 10300 1 1155 . 1 1 101 101 ARG H H 1 9.240 0.030 . 1 . . . . 101 ARG H . 10300 1 1156 . 1 1 101 101 ARG HA H 1 4.027 0.030 . 1 . . . . 101 ARG HA . 10300 1 1157 . 1 1 101 101 ARG HB2 H 1 1.871 0.030 . 2 . . . . 101 ARG HB2 . 10300 1 1158 . 1 1 101 101 ARG HB3 H 1 1.791 0.030 . 2 . . . . 101 ARG HB3 . 10300 1 1159 . 1 1 101 101 ARG HD2 H 1 3.191 0.030 . 1 . . . . 101 ARG HD2 . 10300 1 1160 . 1 1 101 101 ARG HD3 H 1 3.191 0.030 . 1 . . . . 101 ARG HD3 . 10300 1 1161 . 1 1 101 101 ARG HG2 H 1 1.795 0.030 . 2 . . . . 101 ARG HG2 . 10300 1 1162 . 1 1 101 101 ARG HG3 H 1 1.651 0.030 . 2 . . . . 101 ARG HG3 . 10300 1 1163 . 1 1 101 101 ARG C C 13 177.226 0.300 . 1 . . . . 101 ARG C . 10300 1 1164 . 1 1 101 101 ARG CA C 13 59.093 0.300 . 1 . . . . 101 ARG CA . 10300 1 1165 . 1 1 101 101 ARG CB C 13 29.571 0.300 . 1 . . . . 101 ARG CB . 10300 1 1166 . 1 1 101 101 ARG CD C 13 43.123 0.300 . 1 . . . . 101 ARG CD . 10300 1 1167 . 1 1 101 101 ARG CG C 13 28.377 0.300 . 1 . . . . 101 ARG CG . 10300 1 1168 . 1 1 101 101 ARG N N 15 120.068 0.300 . 1 . . . . 101 ARG N . 10300 1 1169 . 1 1 102 102 GLY H H 1 8.081 0.030 . 1 . . . . 102 GLY H . 10300 1 1170 . 1 1 102 102 GLY HA2 H 1 4.074 0.030 . 2 . . . . 102 GLY HA2 . 10300 1 1171 . 1 1 102 102 GLY HA3 H 1 3.545 0.030 . 2 . . . . 102 GLY HA3 . 10300 1 1172 . 1 1 102 102 GLY C C 13 173.736 0.300 . 1 . . . . 102 GLY C . 10300 1 1173 . 1 1 102 102 GLY CA C 13 45.064 0.300 . 1 . . . . 102 GLY CA . 10300 1 1174 . 1 1 102 102 GLY N N 15 104.072 0.300 . 1 . . . . 102 GLY N . 10300 1 1175 . 1 1 103 103 GLY H H 1 7.401 0.030 . 1 . . . . 103 GLY H . 10300 1 1176 . 1 1 103 103 GLY HA2 H 1 4.420 0.030 . 2 . . . . 103 GLY HA2 . 10300 1 1177 . 1 1 103 103 GLY HA3 H 1 3.755 0.030 . 2 . . . . 103 GLY HA3 . 10300 1 1178 . 1 1 103 103 GLY C C 13 170.875 0.300 . 1 . . . . 103 GLY C . 10300 1 1179 . 1 1 103 103 GLY CA C 13 44.448 0.300 . 1 . . . . 103 GLY CA . 10300 1 1180 . 1 1 103 103 GLY N N 15 107.724 0.300 . 1 . . . . 103 GLY N . 10300 1 1181 . 1 1 104 104 VAL H H 1 8.259 0.030 . 1 . . . . 104 VAL H . 10300 1 1182 . 1 1 104 104 VAL HA H 1 4.237 0.030 . 1 . . . . 104 VAL HA . 10300 1 1183 . 1 1 104 104 VAL HB H 1 1.846 0.030 . 1 . . . . 104 VAL HB . 10300 1 1184 . 1 1 104 104 VAL HG11 H 1 0.880 0.030 . 1 . . . . 104 VAL HG1 . 10300 1 1185 . 1 1 104 104 VAL HG12 H 1 0.880 0.030 . 1 . . . . 104 VAL HG1 . 10300 1 1186 . 1 1 104 104 VAL HG13 H 1 0.880 0.030 . 1 . . . . 104 VAL HG1 . 10300 1 1187 . 1 1 104 104 VAL HG21 H 1 0.876 0.030 . 1 . . . . 104 VAL HG2 . 10300 1 1188 . 1 1 104 104 VAL HG22 H 1 0.876 0.030 . 1 . . . . 104 VAL HG2 . 10300 1 1189 . 1 1 104 104 VAL HG23 H 1 0.876 0.030 . 1 . . . . 104 VAL HG2 . 10300 1 1190 . 1 1 104 104 VAL C C 13 176.677 0.300 . 1 . . . . 104 VAL C . 10300 1 1191 . 1 1 104 104 VAL CA C 13 61.950 0.300 . 1 . . . . 104 VAL CA . 10300 1 1192 . 1 1 104 104 VAL CB C 13 33.005 0.300 . 1 . . . . 104 VAL CB . 10300 1 1193 . 1 1 104 104 VAL CG1 C 13 21.787 0.300 . 2 . . . . 104 VAL CG1 . 10300 1 1194 . 1 1 104 104 VAL CG2 C 13 21.128 0.300 . 2 . . . . 104 VAL CG2 . 10300 1 1195 . 1 1 104 104 VAL N N 15 120.170 0.300 . 1 . . . . 104 VAL N . 10300 1 1196 . 1 1 105 105 GLY H H 1 8.839 0.030 . 1 . . . . 105 GLY H . 10300 1 1197 . 1 1 105 105 GLY HA2 H 1 4.200 0.030 . 2 . . . . 105 GLY HA2 . 10300 1 1198 . 1 1 105 105 GLY HA3 H 1 3.857 0.030 . 2 . . . . 105 GLY HA3 . 10300 1 1199 . 1 1 105 105 GLY C C 13 169.902 0.300 . 1 . . . . 105 GLY C . 10300 1 1200 . 1 1 105 105 GLY CA C 13 45.275 0.300 . 1 . . . . 105 GLY CA . 10300 1 1201 . 1 1 105 105 GLY N N 15 115.086 0.300 . 1 . . . . 105 GLY N . 10300 1 1202 . 1 1 106 106 PRO HA H 1 4.400 0.030 . 1 . . . . 106 PRO HA . 10300 1 1203 . 1 1 106 106 PRO HB2 H 1 2.247 0.030 . 2 . . . . 106 PRO HB2 . 10300 1 1204 . 1 1 106 106 PRO HB3 H 1 1.752 0.030 . 2 . . . . 106 PRO HB3 . 10300 1 1205 . 1 1 106 106 PRO HD2 H 1 3.443 0.030 . 2 . . . . 106 PRO HD2 . 10300 1 1206 . 1 1 106 106 PRO HD3 H 1 3.153 0.030 . 2 . . . . 106 PRO HD3 . 10300 1 1207 . 1 1 106 106 PRO HG2 H 1 1.838 0.030 . 2 . . . . 106 PRO HG2 . 10300 1 1208 . 1 1 106 106 PRO HG3 H 1 1.625 0.030 . 2 . . . . 106 PRO HG3 . 10300 1 1209 . 1 1 106 106 PRO C C 13 177.765 0.300 . 1 . . . . 106 PRO C . 10300 1 1210 . 1 1 106 106 PRO CA C 13 62.065 0.300 . 1 . . . . 106 PRO CA . 10300 1 1211 . 1 1 106 106 PRO CB C 13 32.078 0.300 . 1 . . . . 106 PRO CB . 10300 1 1212 . 1 1 106 106 PRO CD C 13 49.427 0.300 . 1 . . . . 106 PRO CD . 10300 1 1213 . 1 1 106 106 PRO CG C 13 27.100 0.300 . 1 . . . . 106 PRO CG . 10300 1 1214 . 1 1 107 107 PHE H H 1 8.634 0.030 . 1 . . . . 107 PHE H . 10300 1 1215 . 1 1 107 107 PHE HA H 1 4.533 0.030 . 1 . . . . 107 PHE HA . 10300 1 1216 . 1 1 107 107 PHE HB2 H 1 3.007 0.030 . 2 . . . . 107 PHE HB2 . 10300 1 1217 . 1 1 107 107 PHE HB3 H 1 2.860 0.030 . 2 . . . . 107 PHE HB3 . 10300 1 1218 . 1 1 107 107 PHE HD1 H 1 7.125 0.030 . 1 . . . . 107 PHE HD1 . 10300 1 1219 . 1 1 107 107 PHE HD2 H 1 7.125 0.030 . 1 . . . . 107 PHE HD2 . 10300 1 1220 . 1 1 107 107 PHE HE1 H 1 7.044 0.030 . 1 . . . . 107 PHE HE1 . 10300 1 1221 . 1 1 107 107 PHE HE2 H 1 7.044 0.030 . 1 . . . . 107 PHE HE2 . 10300 1 1222 . 1 1 107 107 PHE HZ H 1 7.011 0.030 . 1 . . . . 107 PHE HZ . 10300 1 1223 . 1 1 107 107 PHE C C 13 178.053 0.300 . 1 . . . . 107 PHE C . 10300 1 1224 . 1 1 107 107 PHE CA C 13 58.246 0.300 . 1 . . . . 107 PHE CA . 10300 1 1225 . 1 1 107 107 PHE CB C 13 40.578 0.300 . 1 . . . . 107 PHE CB . 10300 1 1226 . 1 1 107 107 PHE CD1 C 13 131.801 0.300 . 1 . . . . 107 PHE CD1 . 10300 1 1227 . 1 1 107 107 PHE CD2 C 13 131.801 0.300 . 1 . . . . 107 PHE CD2 . 10300 1 1228 . 1 1 107 107 PHE CE1 C 13 131.939 0.300 . 1 . . . . 107 PHE CE1 . 10300 1 1229 . 1 1 107 107 PHE CE2 C 13 131.939 0.300 . 1 . . . . 107 PHE CE2 . 10300 1 1230 . 1 1 107 107 PHE CZ C 13 129.328 0.300 . 1 . . . . 107 PHE CZ . 10300 1 1231 . 1 1 107 107 PHE N N 15 118.768 0.300 . 1 . . . . 107 PHE N . 10300 1 1232 . 1 1 108 108 SER H H 1 9.163 0.030 . 1 . . . . 108 SER H . 10300 1 1233 . 1 1 108 108 SER HA H 1 4.123 0.030 . 1 . . . . 108 SER HA . 10300 1 1234 . 1 1 108 108 SER HB2 H 1 4.315 0.030 . 2 . . . . 108 SER HB2 . 10300 1 1235 . 1 1 108 108 SER HB3 H 1 3.990 0.030 . 2 . . . . 108 SER HB3 . 10300 1 1236 . 1 1 108 108 SER C C 13 173.506 0.300 . 1 . . . . 108 SER C . 10300 1 1237 . 1 1 108 108 SER CA C 13 58.228 0.300 . 1 . . . . 108 SER CA . 10300 1 1238 . 1 1 108 108 SER CB C 13 64.829 0.300 . 1 . . . . 108 SER CB . 10300 1 1239 . 1 1 108 108 SER N N 15 116.375 0.300 . 1 . . . . 108 SER N . 10300 1 1240 . 1 1 109 109 ASP H H 1 8.712 0.030 . 1 . . . . 109 ASP H . 10300 1 1241 . 1 1 109 109 ASP HA H 1 4.731 0.030 . 1 . . . . 109 ASP HA . 10300 1 1242 . 1 1 109 109 ASP HB2 H 1 2.794 0.030 . 2 . . . . 109 ASP HB2 . 10300 1 1243 . 1 1 109 109 ASP HB3 H 1 2.590 0.030 . 2 . . . . 109 ASP HB3 . 10300 1 1244 . 1 1 109 109 ASP C C 13 175.267 0.300 . 1 . . . . 109 ASP C . 10300 1 1245 . 1 1 109 109 ASP CA C 13 53.688 0.300 . 1 . . . . 109 ASP CA . 10300 1 1246 . 1 1 109 109 ASP CB C 13 38.891 0.300 . 1 . . . . 109 ASP CB . 10300 1 1247 . 1 1 109 109 ASP N N 15 122.798 0.300 . 1 . . . . 109 ASP N . 10300 1 1248 . 1 1 110 110 PRO HA H 1 4.400 0.030 . 1 . . . . 110 PRO HA . 10300 1 1249 . 1 1 110 110 PRO HB2 H 1 1.775 0.030 . 2 . . . . 110 PRO HB2 . 10300 1 1250 . 1 1 110 110 PRO HB3 H 1 1.674 0.030 . 2 . . . . 110 PRO HB3 . 10300 1 1251 . 1 1 110 110 PRO HD2 H 1 3.807 0.030 . 2 . . . . 110 PRO HD2 . 10300 1 1252 . 1 1 110 110 PRO HD3 H 1 3.643 0.030 . 2 . . . . 110 PRO HD3 . 10300 1 1253 . 1 1 110 110 PRO HG2 H 1 2.058 0.030 . 2 . . . . 110 PRO HG2 . 10300 1 1254 . 1 1 110 110 PRO HG3 H 1 1.965 0.030 . 2 . . . . 110 PRO HG3 . 10300 1 1255 . 1 1 110 110 PRO C C 13 176.396 0.300 . 1 . . . . 110 PRO C . 10300 1 1256 . 1 1 110 110 PRO CA C 13 63.051 0.300 . 1 . . . . 110 PRO CA . 10300 1 1257 . 1 1 110 110 PRO CB C 13 33.073 0.300 . 1 . . . . 110 PRO CB . 10300 1 1258 . 1 1 110 110 PRO CD C 13 50.530 0.300 . 1 . . . . 110 PRO CD . 10300 1 1259 . 1 1 110 110 PRO CG C 13 27.450 0.300 . 1 . . . . 110 PRO CG . 10300 1 1260 . 1 1 111 111 VAL H H 1 8.089 0.030 . 1 . . . . 111 VAL H . 10300 1 1261 . 1 1 111 111 VAL HA H 1 4.277 0.030 . 1 . . . . 111 VAL HA . 10300 1 1262 . 1 1 111 111 VAL HB H 1 1.762 0.030 . 1 . . . . 111 VAL HB . 10300 1 1263 . 1 1 111 111 VAL HG11 H 1 0.881 0.030 . 1 . . . . 111 VAL HG1 . 10300 1 1264 . 1 1 111 111 VAL HG12 H 1 0.881 0.030 . 1 . . . . 111 VAL HG1 . 10300 1 1265 . 1 1 111 111 VAL HG13 H 1 0.881 0.030 . 1 . . . . 111 VAL HG1 . 10300 1 1266 . 1 1 111 111 VAL HG21 H 1 0.913 0.030 . 1 . . . . 111 VAL HG2 . 10300 1 1267 . 1 1 111 111 VAL HG22 H 1 0.913 0.030 . 1 . . . . 111 VAL HG2 . 10300 1 1268 . 1 1 111 111 VAL HG23 H 1 0.913 0.030 . 1 . . . . 111 VAL HG2 . 10300 1 1269 . 1 1 111 111 VAL C C 13 173.707 0.300 . 1 . . . . 111 VAL C . 10300 1 1270 . 1 1 111 111 VAL CA C 13 61.678 0.300 . 1 . . . . 111 VAL CA . 10300 1 1271 . 1 1 111 111 VAL CB C 13 34.655 0.300 . 1 . . . . 111 VAL CB . 10300 1 1272 . 1 1 111 111 VAL CG1 C 13 21.952 0.300 . 2 . . . . 111 VAL CG1 . 10300 1 1273 . 1 1 111 111 VAL CG2 C 13 21.160 0.300 . 2 . . . . 111 VAL CG2 . 10300 1 1274 . 1 1 111 111 VAL N N 15 122.060 0.300 . 1 . . . . 111 VAL N . 10300 1 1275 . 1 1 112 112 LYS H H 1 8.614 0.030 . 1 . . . . 112 LYS H . 10300 1 1276 . 1 1 112 112 LYS HA H 1 5.546 0.030 . 1 . . . . 112 LYS HA . 10300 1 1277 . 1 1 112 112 LYS HB2 H 1 1.580 0.030 . 2 . . . . 112 LYS HB2 . 10300 1 1278 . 1 1 112 112 LYS HB3 H 1 1.510 0.030 . 2 . . . . 112 LYS HB3 . 10300 1 1279 . 1 1 112 112 LYS HD2 H 1 1.520 0.030 . 1 . . . . 112 LYS HD2 . 10300 1 1280 . 1 1 112 112 LYS HD3 H 1 1.520 0.030 . 1 . . . . 112 LYS HD3 . 10300 1 1281 . 1 1 112 112 LYS HE2 H 1 2.833 0.030 . 1 . . . . 112 LYS HE2 . 10300 1 1282 . 1 1 112 112 LYS HE3 H 1 2.833 0.030 . 1 . . . . 112 LYS HE3 . 10300 1 1283 . 1 1 112 112 LYS HG2 H 1 1.223 0.030 . 2 . . . . 112 LYS HG2 . 10300 1 1284 . 1 1 112 112 LYS HG3 H 1 0.874 0.030 . 2 . . . . 112 LYS HG3 . 10300 1 1285 . 1 1 112 112 LYS C C 13 175.822 0.300 . 1 . . . . 112 LYS C . 10300 1 1286 . 1 1 112 112 LYS CA C 13 54.374 0.300 . 1 . . . . 112 LYS CA . 10300 1 1287 . 1 1 112 112 LYS CB C 13 36.143 0.300 . 1 . . . . 112 LYS CB . 10300 1 1288 . 1 1 112 112 LYS CD C 13 29.283 0.300 . 1 . . . . 112 LYS CD . 10300 1 1289 . 1 1 112 112 LYS CE C 13 41.887 0.300 . 1 . . . . 112 LYS CE . 10300 1 1290 . 1 1 112 112 LYS CG C 13 24.505 0.300 . 1 . . . . 112 LYS CG . 10300 1 1291 . 1 1 112 112 LYS N N 15 126.786 0.300 . 1 . . . . 112 LYS N . 10300 1 1292 . 1 1 113 113 ILE H H 1 8.687 0.030 . 1 . . . . 113 ILE H . 10300 1 1293 . 1 1 113 113 ILE HA H 1 4.692 0.030 . 1 . . . . 113 ILE HA . 10300 1 1294 . 1 1 113 113 ILE HB H 1 1.759 0.030 . 1 . . . . 113 ILE HB . 10300 1 1295 . 1 1 113 113 ILE HD11 H 1 0.735 0.030 . 1 . . . . 113 ILE HD1 . 10300 1 1296 . 1 1 113 113 ILE HD12 H 1 0.735 0.030 . 1 . . . . 113 ILE HD1 . 10300 1 1297 . 1 1 113 113 ILE HD13 H 1 0.735 0.030 . 1 . . . . 113 ILE HD1 . 10300 1 1298 . 1 1 113 113 ILE HG12 H 1 1.398 0.030 . 2 . . . . 113 ILE HG12 . 10300 1 1299 . 1 1 113 113 ILE HG13 H 1 0.867 0.030 . 2 . . . . 113 ILE HG13 . 10300 1 1300 . 1 1 113 113 ILE HG21 H 1 0.769 0.030 . 1 . . . . 113 ILE HG2 . 10300 1 1301 . 1 1 113 113 ILE HG22 H 1 0.769 0.030 . 1 . . . . 113 ILE HG2 . 10300 1 1302 . 1 1 113 113 ILE HG23 H 1 0.769 0.030 . 1 . . . . 113 ILE HG2 . 10300 1 1303 . 1 1 113 113 ILE C C 13 172.906 0.300 . 1 . . . . 113 ILE C . 10300 1 1304 . 1 1 113 113 ILE CA C 13 59.355 0.300 . 1 . . . . 113 ILE CA . 10300 1 1305 . 1 1 113 113 ILE CB C 13 42.386 0.300 . 1 . . . . 113 ILE CB . 10300 1 1306 . 1 1 113 113 ILE CD1 C 13 15.361 0.300 . 1 . . . . 113 ILE CD1 . 10300 1 1307 . 1 1 113 113 ILE CG1 C 13 26.706 0.300 . 1 . . . . 113 ILE CG1 . 10300 1 1308 . 1 1 113 113 ILE CG2 C 13 16.927 0.300 . 1 . . . . 113 ILE CG2 . 10300 1 1309 . 1 1 113 113 ILE N N 15 119.311 0.300 . 1 . . . . 113 ILE N . 10300 1 1310 . 1 1 114 114 PHE H H 1 8.592 0.030 . 1 . . . . 114 PHE H . 10300 1 1311 . 1 1 114 114 PHE HA H 1 4.915 0.030 . 1 . . . . 114 PHE HA . 10300 1 1312 . 1 1 114 114 PHE HB2 H 1 3.027 0.030 . 2 . . . . 114 PHE HB2 . 10300 1 1313 . 1 1 114 114 PHE HB3 H 1 2.856 0.030 . 2 . . . . 114 PHE HB3 . 10300 1 1314 . 1 1 114 114 PHE HD1 H 1 7.101 0.030 . 1 . . . . 114 PHE HD1 . 10300 1 1315 . 1 1 114 114 PHE HD2 H 1 7.101 0.030 . 1 . . . . 114 PHE HD2 . 10300 1 1316 . 1 1 114 114 PHE HE1 H 1 7.222 0.030 . 1 . . . . 114 PHE HE1 . 10300 1 1317 . 1 1 114 114 PHE HE2 H 1 7.222 0.030 . 1 . . . . 114 PHE HE2 . 10300 1 1318 . 1 1 114 114 PHE C C 13 173.463 0.300 . 1 . . . . 114 PHE C . 10300 1 1319 . 1 1 114 114 PHE CA C 13 57.105 0.300 . 1 . . . . 114 PHE CA . 10300 1 1320 . 1 1 114 114 PHE CB C 13 40.658 0.300 . 1 . . . . 114 PHE CB . 10300 1 1321 . 1 1 114 114 PHE CD1 C 13 131.799 0.300 . 1 . . . . 114 PHE CD1 . 10300 1 1322 . 1 1 114 114 PHE CD2 C 13 131.799 0.300 . 1 . . . . 114 PHE CD2 . 10300 1 1323 . 1 1 114 114 PHE CE1 C 13 131.145 0.300 . 1 . . . . 114 PHE CE1 . 10300 1 1324 . 1 1 114 114 PHE CE2 C 13 131.145 0.300 . 1 . . . . 114 PHE CE2 . 10300 1 1325 . 1 1 114 114 PHE N N 15 124.117 0.300 . 1 . . . . 114 PHE N . 10300 1 1326 . 1 1 115 115 ILE H H 1 8.655 0.030 . 1 . . . . 115 ILE H . 10300 1 1327 . 1 1 115 115 ILE HA H 1 4.519 0.030 . 1 . . . . 115 ILE HA . 10300 1 1328 . 1 1 115 115 ILE HB H 1 2.100 0.030 . 1 . . . . 115 ILE HB . 10300 1 1329 . 1 1 115 115 ILE HD11 H 1 0.719 0.030 . 1 . . . . 115 ILE HD1 . 10300 1 1330 . 1 1 115 115 ILE HD12 H 1 0.719 0.030 . 1 . . . . 115 ILE HD1 . 10300 1 1331 . 1 1 115 115 ILE HD13 H 1 0.719 0.030 . 1 . . . . 115 ILE HD1 . 10300 1 1332 . 1 1 115 115 ILE HG12 H 1 1.508 0.030 . 2 . . . . 115 ILE HG12 . 10300 1 1333 . 1 1 115 115 ILE HG13 H 1 1.460 0.030 . 2 . . . . 115 ILE HG13 . 10300 1 1334 . 1 1 115 115 ILE HG21 H 1 1.015 0.030 . 1 . . . . 115 ILE HG2 . 10300 1 1335 . 1 1 115 115 ILE HG22 H 1 1.015 0.030 . 1 . . . . 115 ILE HG2 . 10300 1 1336 . 1 1 115 115 ILE HG23 H 1 1.015 0.030 . 1 . . . . 115 ILE HG2 . 10300 1 1337 . 1 1 115 115 ILE C C 13 173.446 0.300 . 1 . . . . 115 ILE C . 10300 1 1338 . 1 1 115 115 ILE CA C 13 56.762 0.300 . 1 . . . . 115 ILE CA . 10300 1 1339 . 1 1 115 115 ILE CB C 13 38.098 0.300 . 1 . . . . 115 ILE CB . 10300 1 1340 . 1 1 115 115 ILE CD1 C 13 14.420 0.300 . 1 . . . . 115 ILE CD1 . 10300 1 1341 . 1 1 115 115 ILE CG1 C 13 28.174 0.300 . 1 . . . . 115 ILE CG1 . 10300 1 1342 . 1 1 115 115 ILE CG2 C 13 19.023 0.300 . 1 . . . . 115 ILE CG2 . 10300 1 1343 . 1 1 115 115 ILE N N 15 128.718 0.300 . 1 . . . . 115 ILE N . 10300 1 1344 . 1 1 116 116 PRO HA H 1 4.506 0.030 . 1 . . . . 116 PRO HA . 10300 1 1345 . 1 1 116 116 PRO HB2 H 1 2.504 0.030 . 2 . . . . 116 PRO HB2 . 10300 1 1346 . 1 1 116 116 PRO HB3 H 1 2.049 0.030 . 2 . . . . 116 PRO HB3 . 10300 1 1347 . 1 1 116 116 PRO HD2 H 1 3.914 0.030 . 2 . . . . 116 PRO HD2 . 10300 1 1348 . 1 1 116 116 PRO HD3 H 1 3.610 0.030 . 2 . . . . 116 PRO HD3 . 10300 1 1349 . 1 1 116 116 PRO HG2 H 1 2.057 0.030 . 1 . . . . 116 PRO HG2 . 10300 1 1350 . 1 1 116 116 PRO HG3 H 1 2.057 0.030 . 1 . . . . 116 PRO HG3 . 10300 1 1351 . 1 1 116 116 PRO C C 13 176.732 0.300 . 1 . . . . 116 PRO C . 10300 1 1352 . 1 1 116 116 PRO CA C 13 62.247 0.300 . 1 . . . . 116 PRO CA . 10300 1 1353 . 1 1 116 116 PRO CB C 13 33.016 0.300 . 1 . . . . 116 PRO CB . 10300 1 1354 . 1 1 116 116 PRO CD C 13 51.269 0.300 . 1 . . . . 116 PRO CD . 10300 1 1355 . 1 1 116 116 PRO CG C 13 26.984 0.300 . 1 . . . . 116 PRO CG . 10300 1 1356 . 1 1 117 117 ALA H H 1 8.485 0.030 . 1 . . . . 117 ALA H . 10300 1 1357 . 1 1 117 117 ALA HA H 1 4.156 0.030 . 1 . . . . 117 ALA HA . 10300 1 1358 . 1 1 117 117 ALA HB1 H 1 1.359 0.030 . 1 . . . . 117 ALA HB . 10300 1 1359 . 1 1 117 117 ALA HB2 H 1 1.359 0.030 . 1 . . . . 117 ALA HB . 10300 1 1360 . 1 1 117 117 ALA HB3 H 1 1.359 0.030 . 1 . . . . 117 ALA HB . 10300 1 1361 . 1 1 117 117 ALA C C 13 177.268 0.300 . 1 . . . . 117 ALA C . 10300 1 1362 . 1 1 117 117 ALA CA C 13 52.811 0.300 . 1 . . . . 117 ALA CA . 10300 1 1363 . 1 1 117 117 ALA CB C 13 19.206 0.300 . 1 . . . . 117 ALA CB . 10300 1 1364 . 1 1 117 117 ALA N N 15 121.432 0.300 . 1 . . . . 117 ALA N . 10300 1 1365 . 1 1 118 118 HIS H H 1 8.356 0.030 . 1 . . . . 118 HIS H . 10300 1 1366 . 1 1 118 118 HIS HA H 1 4.443 0.030 . 1 . . . . 118 HIS HA . 10300 1 1367 . 1 1 118 118 HIS HB2 H 1 2.813 0.030 . 2 . . . . 118 HIS HB2 . 10300 1 1368 . 1 1 118 118 HIS HB3 H 1 2.627 0.030 . 2 . . . . 118 HIS HB3 . 10300 1 1369 . 1 1 118 118 HIS HD2 H 1 6.864 0.030 . 1 . . . . 118 HIS HD2 . 10300 1 1370 . 1 1 118 118 HIS HE1 H 1 7.848 0.030 . 1 . . . . 118 HIS HE1 . 10300 1 1371 . 1 1 118 118 HIS C C 13 175.338 0.300 . 1 . . . . 118 HIS C . 10300 1 1372 . 1 1 118 118 HIS CA C 13 56.222 0.300 . 1 . . . . 118 HIS CA . 10300 1 1373 . 1 1 118 118 HIS CB C 13 30.697 0.300 . 1 . . . . 118 HIS CB . 10300 1 1374 . 1 1 118 118 HIS CD2 C 13 119.586 0.300 . 1 . . . . 118 HIS CD2 . 10300 1 1375 . 1 1 118 118 HIS CE1 C 13 137.998 0.300 . 1 . . . . 118 HIS CE1 . 10300 1 1376 . 1 1 118 118 HIS N N 15 119.975 0.300 . 1 . . . . 118 HIS N . 10300 1 1377 . 1 1 119 119 SER H H 1 8.292 0.030 . 1 . . . . 119 SER H . 10300 1 1378 . 1 1 119 119 SER HA H 1 4.422 0.030 . 1 . . . . 119 SER HA . 10300 1 1379 . 1 1 119 119 SER HB2 H 1 3.857 0.030 . 2 . . . . 119 SER HB2 . 10300 1 1380 . 1 1 119 119 SER C C 13 174.320 0.300 . 1 . . . . 119 SER C . 10300 1 1381 . 1 1 119 119 SER CA C 13 58.158 0.300 . 1 . . . . 119 SER CA . 10300 1 1382 . 1 1 119 119 SER CB C 13 64.212 0.300 . 1 . . . . 119 SER CB . 10300 1 1383 . 1 1 119 119 SER N N 15 118.831 0.300 . 1 . . . . 119 SER N . 10300 1 1384 . 1 1 120 120 GLY H H 1 8.234 0.030 . 1 . . . . 120 GLY H . 10300 1 1385 . 1 1 120 120 GLY HA2 H 1 4.069 0.030 . 1 . . . . 120 GLY HA2 . 10300 1 1386 . 1 1 120 120 GLY HA3 H 1 4.069 0.030 . 1 . . . . 120 GLY HA3 . 10300 1 1387 . 1 1 120 120 GLY CA C 13 45.358 0.300 . 1 . . . . 120 GLY CA . 10300 1 1388 . 1 1 120 120 GLY N N 15 110.901 0.300 . 1 . . . . 120 GLY N . 10300 1 1389 . 1 1 121 121 PRO HA H 1 4.463 0.030 . 1 . . . . 121 PRO HA . 10300 1 1390 . 1 1 121 121 PRO HB2 H 1 2.287 0.030 . 2 . . . . 121 PRO HB2 . 10300 1 1391 . 1 1 121 121 PRO HD2 H 1 3.612 0.030 . 1 . . . . 121 PRO HD2 . 10300 1 1392 . 1 1 121 121 PRO HD3 H 1 3.612 0.030 . 1 . . . . 121 PRO HD3 . 10300 1 1393 . 1 1 121 121 PRO HG2 H 1 2.010 0.030 . 1 . . . . 121 PRO HG2 . 10300 1 1394 . 1 1 121 121 PRO HG3 H 1 2.010 0.030 . 1 . . . . 121 PRO HG3 . 10300 1 1395 . 1 1 121 121 PRO CA C 13 63.253 0.300 . 1 . . . . 121 PRO CA . 10300 1 1396 . 1 1 121 121 PRO CB C 13 32.211 0.300 . 1 . . . . 121 PRO CB . 10300 1 1397 . 1 1 121 121 PRO CD C 13 49.773 0.300 . 1 . . . . 121 PRO CD . 10300 1 1398 . 1 1 121 121 PRO CG C 13 27.098 0.300 . 1 . . . . 121 PRO CG . 10300 1 stop_ save_