data_10249 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10249 _Entry.Title ; Solution structure of the C-terminal PH domain of human pleckstrin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-20 _Entry.Accession_date 2008-11-20 _Entry.Last_release_date 2009-11-20 _Entry.Original_release_date 2009-11-20 _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 H. Li . . . 10249 2 T. Tomizawa . . . 10249 3 S. Koshiba . . . 10249 4 M. Inoue . . . 10249 5 T. Kigawa . . . 10249 6 S. Yokoyama . . . 10249 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' 10249 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10249 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 556 10249 '15N chemical shifts' 124 10249 '1H chemical shifts' 870 10249 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 . . 2009-11-20 2008-11-20 original author . 10249 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X05 'BMRB Entry Tracking System' 10249 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10249 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the C-terminal PH domain of human pleckstrin' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 H. Li . . . 10249 1 2 T. Tomizawa . . . 10249 1 3 S. Koshiba . . . 10249 1 4 M. Inoue . . . 10249 1 5 T. Kigawa . . . 10249 1 6 S. Yokoyama . . . 10249 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10249 _Assembly.ID 1 _Assembly.Name Pleckstrin _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 . _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 'PH domain' 1 $entity_1 . . yes native no no . . . 10249 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 1X05 . . . . . . 10249 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10249 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PH 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 ; GSSGSSGVILKEEFRGVIIK QGCLLKQGHRRKNWKVRKFI LREDPAYLHYYDPAGAEDPL GAIHLRGCVVTSVESNSNGR KSEEENLFEIITADEVHYFL QAATPKERTEWIKAIQMASR TGKSGPSSG ; _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 129 _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 1X05 . "Solution Structure Of The C-Terminal Ph Domain Of Human Pleckstrin" . . . . . 100.00 129 100.00 100.00 2.76e-89 . . . . 10249 1 2 no PDB 1XX0 . "Structure Of The C-Terminal Ph Domain Of Human Pleckstrin" . . . . . 89.92 127 100.00 100.00 7.22e-80 . . . . 10249 1 3 no PDB 1ZM0 . "Crystal Structure Of The Carboxyl Terminal Ph Domain Of Pleckstrin To 2.1 Angstroms" . . . . . 86.05 114 100.00 100.00 1.92e-76 . . . . 10249 1 4 no PDB 2I5C . "Crystal Structure Of The C-Terminal Ph Domain Of Pleckstrin In Complex With D-Myo-Ins(1,2,3,4,5)p5" . . . . . 82.95 109 99.07 99.07 1.01e-72 . . . . 10249 1 5 no PDB 2I5F . "Crystal Structure Of The C-Terminal Ph Domain Of Pleckstrin In Complex With D-Myo-Ins(1,2,3,5,6)p5" . . . . . 82.95 109 99.07 99.07 1.01e-72 . . . . 10249 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 . 10249 1 2 . SER . 10249 1 3 . SER . 10249 1 4 . GLY . 10249 1 5 . SER . 10249 1 6 . SER . 10249 1 7 . GLY . 10249 1 8 . VAL . 10249 1 9 . ILE . 10249 1 10 . LEU . 10249 1 11 . LYS . 10249 1 12 . GLU . 10249 1 13 . GLU . 10249 1 14 . PHE . 10249 1 15 . ARG . 10249 1 16 . GLY . 10249 1 17 . VAL . 10249 1 18 . ILE . 10249 1 19 . ILE . 10249 1 20 . LYS . 10249 1 21 . GLN . 10249 1 22 . GLY . 10249 1 23 . CYS . 10249 1 24 . LEU . 10249 1 25 . LEU . 10249 1 26 . LYS . 10249 1 27 . GLN . 10249 1 28 . GLY . 10249 1 29 . HIS . 10249 1 30 . ARG . 10249 1 31 . ARG . 10249 1 32 . LYS . 10249 1 33 . ASN . 10249 1 34 . TRP . 10249 1 35 . LYS . 10249 1 36 . VAL . 10249 1 37 . ARG . 10249 1 38 . LYS . 10249 1 39 . PHE . 10249 1 40 . ILE . 10249 1 41 . LEU . 10249 1 42 . ARG . 10249 1 43 . GLU . 10249 1 44 . ASP . 10249 1 45 . PRO . 10249 1 46 . ALA . 10249 1 47 . TYR . 10249 1 48 . LEU . 10249 1 49 . HIS . 10249 1 50 . TYR . 10249 1 51 . TYR . 10249 1 52 . ASP . 10249 1 53 . PRO . 10249 1 54 . ALA . 10249 1 55 . GLY . 10249 1 56 . ALA . 10249 1 57 . GLU . 10249 1 58 . ASP . 10249 1 59 . PRO . 10249 1 60 . LEU . 10249 1 61 . GLY . 10249 1 62 . ALA . 10249 1 63 . ILE . 10249 1 64 . HIS . 10249 1 65 . LEU . 10249 1 66 . ARG . 10249 1 67 . GLY . 10249 1 68 . CYS . 10249 1 69 . VAL . 10249 1 70 . VAL . 10249 1 71 . THR . 10249 1 72 . SER . 10249 1 73 . VAL . 10249 1 74 . GLU . 10249 1 75 . SER . 10249 1 76 . ASN . 10249 1 77 . SER . 10249 1 78 . ASN . 10249 1 79 . GLY . 10249 1 80 . ARG . 10249 1 81 . LYS . 10249 1 82 . SER . 10249 1 83 . GLU . 10249 1 84 . GLU . 10249 1 85 . GLU . 10249 1 86 . ASN . 10249 1 87 . LEU . 10249 1 88 . PHE . 10249 1 89 . GLU . 10249 1 90 . ILE . 10249 1 91 . ILE . 10249 1 92 . THR . 10249 1 93 . ALA . 10249 1 94 . ASP . 10249 1 95 . GLU . 10249 1 96 . VAL . 10249 1 97 . HIS . 10249 1 98 . TYR . 10249 1 99 . PHE . 10249 1 100 . LEU . 10249 1 101 . GLN . 10249 1 102 . ALA . 10249 1 103 . ALA . 10249 1 104 . THR . 10249 1 105 . PRO . 10249 1 106 . LYS . 10249 1 107 . GLU . 10249 1 108 . ARG . 10249 1 109 . THR . 10249 1 110 . GLU . 10249 1 111 . TRP . 10249 1 112 . ILE . 10249 1 113 . LYS . 10249 1 114 . ALA . 10249 1 115 . ILE . 10249 1 116 . GLN . 10249 1 117 . MET . 10249 1 118 . ALA . 10249 1 119 . SER . 10249 1 120 . ARG . 10249 1 121 . THR . 10249 1 122 . GLY . 10249 1 123 . LYS . 10249 1 124 . SER . 10249 1 125 . GLY . 10249 1 126 . PRO . 10249 1 127 . SER . 10249 1 128 . SER . 10249 1 129 . GLY . 10249 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 10249 1 . SER 2 2 10249 1 . SER 3 3 10249 1 . GLY 4 4 10249 1 . SER 5 5 10249 1 . SER 6 6 10249 1 . GLY 7 7 10249 1 . VAL 8 8 10249 1 . ILE 9 9 10249 1 . LEU 10 10 10249 1 . LYS 11 11 10249 1 . GLU 12 12 10249 1 . GLU 13 13 10249 1 . PHE 14 14 10249 1 . ARG 15 15 10249 1 . GLY 16 16 10249 1 . VAL 17 17 10249 1 . ILE 18 18 10249 1 . ILE 19 19 10249 1 . LYS 20 20 10249 1 . GLN 21 21 10249 1 . GLY 22 22 10249 1 . CYS 23 23 10249 1 . LEU 24 24 10249 1 . LEU 25 25 10249 1 . LYS 26 26 10249 1 . GLN 27 27 10249 1 . GLY 28 28 10249 1 . HIS 29 29 10249 1 . ARG 30 30 10249 1 . ARG 31 31 10249 1 . LYS 32 32 10249 1 . ASN 33 33 10249 1 . TRP 34 34 10249 1 . LYS 35 35 10249 1 . VAL 36 36 10249 1 . ARG 37 37 10249 1 . LYS 38 38 10249 1 . PHE 39 39 10249 1 . ILE 40 40 10249 1 . LEU 41 41 10249 1 . ARG 42 42 10249 1 . GLU 43 43 10249 1 . ASP 44 44 10249 1 . PRO 45 45 10249 1 . ALA 46 46 10249 1 . TYR 47 47 10249 1 . LEU 48 48 10249 1 . HIS 49 49 10249 1 . TYR 50 50 10249 1 . TYR 51 51 10249 1 . ASP 52 52 10249 1 . PRO 53 53 10249 1 . ALA 54 54 10249 1 . GLY 55 55 10249 1 . ALA 56 56 10249 1 . GLU 57 57 10249 1 . ASP 58 58 10249 1 . PRO 59 59 10249 1 . LEU 60 60 10249 1 . GLY 61 61 10249 1 . ALA 62 62 10249 1 . ILE 63 63 10249 1 . HIS 64 64 10249 1 . LEU 65 65 10249 1 . ARG 66 66 10249 1 . GLY 67 67 10249 1 . CYS 68 68 10249 1 . VAL 69 69 10249 1 . VAL 70 70 10249 1 . THR 71 71 10249 1 . SER 72 72 10249 1 . VAL 73 73 10249 1 . GLU 74 74 10249 1 . SER 75 75 10249 1 . ASN 76 76 10249 1 . SER 77 77 10249 1 . ASN 78 78 10249 1 . GLY 79 79 10249 1 . ARG 80 80 10249 1 . LYS 81 81 10249 1 . SER 82 82 10249 1 . GLU 83 83 10249 1 . GLU 84 84 10249 1 . GLU 85 85 10249 1 . ASN 86 86 10249 1 . LEU 87 87 10249 1 . PHE 88 88 10249 1 . GLU 89 89 10249 1 . ILE 90 90 10249 1 . ILE 91 91 10249 1 . THR 92 92 10249 1 . ALA 93 93 10249 1 . ASP 94 94 10249 1 . GLU 95 95 10249 1 . VAL 96 96 10249 1 . HIS 97 97 10249 1 . TYR 98 98 10249 1 . PHE 99 99 10249 1 . LEU 100 100 10249 1 . GLN 101 101 10249 1 . ALA 102 102 10249 1 . ALA 103 103 10249 1 . THR 104 104 10249 1 . PRO 105 105 10249 1 . LYS 106 106 10249 1 . GLU 107 107 10249 1 . ARG 108 108 10249 1 . THR 109 109 10249 1 . GLU 110 110 10249 1 . TRP 111 111 10249 1 . ILE 112 112 10249 1 . LYS 113 113 10249 1 . ALA 114 114 10249 1 . ILE 115 115 10249 1 . GLN 116 116 10249 1 . MET 117 117 10249 1 . ALA 118 118 10249 1 . SER 119 119 10249 1 . ARG 120 120 10249 1 . THR 121 121 10249 1 . GLY 122 122 10249 1 . LYS 123 123 10249 1 . SER 124 124 10249 1 . GLY 125 125 10249 1 . PRO 126 126 10249 1 . SER 127 127 10249 1 . SER 128 128 10249 1 . GLY 129 129 10249 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 10249 _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 . . . . . . . . . . . . . . . . . . . . . 10249 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 10249 _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 . . P040517-04 . . . . . . 10249 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10249 _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 'PH domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.13 . . mM . . . . 10249 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10249 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10249 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10249 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10249 1 6 H2O . . . . . . solvent 90 . . % . . . . 10249 1 7 D2O . . . . . . solvent 10 . . % . . . . 10249 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 10249 _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 10249 1 pH 7.0 0.05 pH 10249 1 pressure 1 0.001 atm 10249 1 temperature 296 0.1 K 10249 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10249 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10249 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10249 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10249 _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.' . . 10249 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10249 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10249 _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.' . . 10249 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10249 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10249 _Software.ID 4 _Software.Name Kujira _Software.Version 0.913 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10249 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10249 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10249 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guentert, P.' . . 10249 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10249 5 'structure solution' 10249 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 10249 _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 10249 _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 . . . 10249 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 10249 _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 . . . . . . . . . . . . . . . . 10249 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10249 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 10249 _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 . . . . . . . . . 10249 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10249 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10249 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 10249 _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 10249 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10249 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.475 0.030 . 1 . . . . 6 SER HA . 10249 1 2 . 1 1 6 6 SER HB2 H 1 3.866 0.030 . 1 . . . . 6 SER HB2 . 10249 1 3 . 1 1 6 6 SER HB3 H 1 3.866 0.030 . 1 . . . . 6 SER HB3 . 10249 1 4 . 1 1 6 6 SER C C 13 174.978 0.300 . 1 . . . . 6 SER C . 10249 1 5 . 1 1 6 6 SER CA C 13 58.657 0.300 . 1 . . . . 6 SER CA . 10249 1 6 . 1 1 6 6 SER CB C 13 63.682 0.300 . 1 . . . . 6 SER CB . 10249 1 7 . 1 1 7 7 GLY H H 1 8.385 0.030 . 1 . . . . 7 GLY H . 10249 1 8 . 1 1 7 7 GLY HA2 H 1 3.947 0.030 . 1 . . . . 7 GLY HA2 . 10249 1 9 . 1 1 7 7 GLY HA3 H 1 3.947 0.030 . 1 . . . . 7 GLY HA3 . 10249 1 10 . 1 1 7 7 GLY C C 13 173.900 0.300 . 1 . . . . 7 GLY C . 10249 1 11 . 1 1 7 7 GLY CA C 13 45.280 0.300 . 1 . . . . 7 GLY CA . 10249 1 12 . 1 1 7 7 GLY N N 15 110.753 0.300 . 1 . . . . 7 GLY N . 10249 1 13 . 1 1 8 8 VAL H H 1 7.896 0.030 . 1 . . . . 8 VAL H . 10249 1 14 . 1 1 8 8 VAL HA H 1 4.046 0.030 . 1 . . . . 8 VAL HA . 10249 1 15 . 1 1 8 8 VAL HB H 1 2.000 0.030 . 1 . . . . 8 VAL HB . 10249 1 16 . 1 1 8 8 VAL HG11 H 1 0.879 0.030 . 1 . . . . 8 VAL HG1 . 10249 1 17 . 1 1 8 8 VAL HG12 H 1 0.879 0.030 . 1 . . . . 8 VAL HG1 . 10249 1 18 . 1 1 8 8 VAL HG13 H 1 0.879 0.030 . 1 . . . . 8 VAL HG1 . 10249 1 19 . 1 1 8 8 VAL HG21 H 1 0.854 0.030 . 1 . . . . 8 VAL HG2 . 10249 1 20 . 1 1 8 8 VAL HG22 H 1 0.854 0.030 . 1 . . . . 8 VAL HG2 . 10249 1 21 . 1 1 8 8 VAL HG23 H 1 0.854 0.030 . 1 . . . . 8 VAL HG2 . 10249 1 22 . 1 1 8 8 VAL C C 13 175.948 0.300 . 1 . . . . 8 VAL C . 10249 1 23 . 1 1 8 8 VAL CA C 13 62.399 0.300 . 1 . . . . 8 VAL CA . 10249 1 24 . 1 1 8 8 VAL CB C 13 32.904 0.300 . 1 . . . . 8 VAL CB . 10249 1 25 . 1 1 8 8 VAL CG1 C 13 20.538 0.300 . 2 . . . . 8 VAL CG1 . 10249 1 26 . 1 1 8 8 VAL CG2 C 13 21.073 0.300 . 2 . . . . 8 VAL CG2 . 10249 1 27 . 1 1 8 8 VAL N N 15 119.771 0.300 . 1 . . . . 8 VAL N . 10249 1 28 . 1 1 9 9 ILE H H 1 8.253 0.030 . 1 . . . . 9 ILE H . 10249 1 29 . 1 1 9 9 ILE HA H 1 4.103 0.030 . 1 . . . . 9 ILE HA . 10249 1 30 . 1 1 9 9 ILE HB H 1 1.788 0.030 . 1 . . . . 9 ILE HB . 10249 1 31 . 1 1 9 9 ILE HD11 H 1 0.807 0.030 . 1 . . . . 9 ILE HD1 . 10249 1 32 . 1 1 9 9 ILE HD12 H 1 0.807 0.030 . 1 . . . . 9 ILE HD1 . 10249 1 33 . 1 1 9 9 ILE HD13 H 1 0.807 0.030 . 1 . . . . 9 ILE HD1 . 10249 1 34 . 1 1 9 9 ILE HG12 H 1 1.455 0.030 . 2 . . . . 9 ILE HG12 . 10249 1 35 . 1 1 9 9 ILE HG13 H 1 1.144 0.030 . 2 . . . . 9 ILE HG13 . 10249 1 36 . 1 1 9 9 ILE HG21 H 1 0.829 0.030 . 1 . . . . 9 ILE HG2 . 10249 1 37 . 1 1 9 9 ILE HG22 H 1 0.829 0.030 . 1 . . . . 9 ILE HG2 . 10249 1 38 . 1 1 9 9 ILE HG23 H 1 0.829 0.030 . 1 . . . . 9 ILE HG2 . 10249 1 39 . 1 1 9 9 ILE C C 13 175.984 0.300 . 1 . . . . 9 ILE C . 10249 1 40 . 1 1 9 9 ILE CA C 13 60.657 0.300 . 1 . . . . 9 ILE CA . 10249 1 41 . 1 1 9 9 ILE CB C 13 38.349 0.300 . 1 . . . . 9 ILE CB . 10249 1 42 . 1 1 9 9 ILE CD1 C 13 12.586 0.300 . 1 . . . . 9 ILE CD1 . 10249 1 43 . 1 1 9 9 ILE CG1 C 13 27.195 0.300 . 1 . . . . 9 ILE CG1 . 10249 1 44 . 1 1 9 9 ILE CG2 C 13 17.458 0.300 . 1 . . . . 9 ILE CG2 . 10249 1 45 . 1 1 9 9 ILE N N 15 125.791 0.300 . 1 . . . . 9 ILE N . 10249 1 46 . 1 1 10 10 LEU H H 1 8.374 0.030 . 1 . . . . 10 LEU H . 10249 1 47 . 1 1 10 10 LEU HA H 1 4.379 0.030 . 1 . . . . 10 LEU HA . 10249 1 48 . 1 1 10 10 LEU HB2 H 1 1.542 0.030 . 1 . . . . 10 LEU HB2 . 10249 1 49 . 1 1 10 10 LEU HB3 H 1 1.542 0.030 . 1 . . . . 10 LEU HB3 . 10249 1 50 . 1 1 10 10 LEU HD11 H 1 0.872 0.030 . 1 . . . . 10 LEU HD1 . 10249 1 51 . 1 1 10 10 LEU HD12 H 1 0.872 0.030 . 1 . . . . 10 LEU HD1 . 10249 1 52 . 1 1 10 10 LEU HD13 H 1 0.872 0.030 . 1 . . . . 10 LEU HD1 . 10249 1 53 . 1 1 10 10 LEU HD21 H 1 0.792 0.030 . 1 . . . . 10 LEU HD2 . 10249 1 54 . 1 1 10 10 LEU HD22 H 1 0.792 0.030 . 1 . . . . 10 LEU HD2 . 10249 1 55 . 1 1 10 10 LEU HD23 H 1 0.792 0.030 . 1 . . . . 10 LEU HD2 . 10249 1 56 . 1 1 10 10 LEU HG H 1 1.594 0.030 . 1 . . . . 10 LEU HG . 10249 1 57 . 1 1 10 10 LEU C C 13 177.171 0.300 . 1 . . . . 10 LEU C . 10249 1 58 . 1 1 10 10 LEU CA C 13 54.598 0.300 . 1 . . . . 10 LEU CA . 10249 1 59 . 1 1 10 10 LEU CB C 13 42.873 0.300 . 1 . . . . 10 LEU CB . 10249 1 60 . 1 1 10 10 LEU CD1 C 13 25.060 0.300 . 2 . . . . 10 LEU CD1 . 10249 1 61 . 1 1 10 10 LEU CD2 C 13 23.747 0.300 . 2 . . . . 10 LEU CD2 . 10249 1 62 . 1 1 10 10 LEU CG C 13 26.949 0.300 . 1 . . . . 10 LEU CG . 10249 1 63 . 1 1 10 10 LEU N N 15 127.929 0.300 . 1 . . . . 10 LEU N . 10249 1 64 . 1 1 11 11 LYS H H 1 8.414 0.030 . 1 . . . . 11 LYS H . 10249 1 65 . 1 1 11 11 LYS HA H 1 4.214 0.030 . 1 . . . . 11 LYS HA . 10249 1 66 . 1 1 11 11 LYS HB2 H 1 1.986 0.030 . 2 . . . . 11 LYS HB2 . 10249 1 67 . 1 1 11 11 LYS HB3 H 1 1.750 0.030 . 2 . . . . 11 LYS HB3 . 10249 1 68 . 1 1 11 11 LYS HD2 H 1 1.684 0.030 . 1 . . . . 11 LYS HD2 . 10249 1 69 . 1 1 11 11 LYS HD3 H 1 1.684 0.030 . 1 . . . . 11 LYS HD3 . 10249 1 70 . 1 1 11 11 LYS HE2 H 1 2.981 0.030 . 1 . . . . 11 LYS HE2 . 10249 1 71 . 1 1 11 11 LYS HE3 H 1 2.981 0.030 . 1 . . . . 11 LYS HE3 . 10249 1 72 . 1 1 11 11 LYS HG2 H 1 1.594 0.030 . 2 . . . . 11 LYS HG2 . 10249 1 73 . 1 1 11 11 LYS HG3 H 1 1.464 0.030 . 2 . . . . 11 LYS HG3 . 10249 1 74 . 1 1 11 11 LYS C C 13 177.244 0.300 . 1 . . . . 11 LYS C . 10249 1 75 . 1 1 11 11 LYS CA C 13 57.051 0.300 . 1 . . . . 11 LYS CA . 10249 1 76 . 1 1 11 11 LYS CB C 13 33.332 0.300 . 1 . . . . 11 LYS CB . 10249 1 77 . 1 1 11 11 LYS CD C 13 29.548 0.300 . 1 . . . . 11 LYS CD . 10249 1 78 . 1 1 11 11 LYS CE C 13 42.133 0.300 . 1 . . . . 11 LYS CE . 10249 1 79 . 1 1 11 11 LYS CG C 13 25.636 0.300 . 1 . . . . 11 LYS CG . 10249 1 80 . 1 1 11 11 LYS N N 15 123.211 0.300 . 1 . . . . 11 LYS N . 10249 1 81 . 1 1 12 12 GLU H H 1 8.629 0.030 . 1 . . . . 12 GLU H . 10249 1 82 . 1 1 12 12 GLU HA H 1 3.745 0.030 . 1 . . . . 12 GLU HA . 10249 1 83 . 1 1 12 12 GLU HB2 H 1 1.994 0.030 . 2 . . . . 12 GLU HB2 . 10249 1 84 . 1 1 12 12 GLU HB3 H 1 1.905 0.030 . 2 . . . . 12 GLU HB3 . 10249 1 85 . 1 1 12 12 GLU HG2 H 1 2.224 0.030 . 2 . . . . 12 GLU HG2 . 10249 1 86 . 1 1 12 12 GLU HG3 H 1 2.276 0.030 . 2 . . . . 12 GLU HG3 . 10249 1 87 . 1 1 12 12 GLU C C 13 177.366 0.300 . 1 . . . . 12 GLU C . 10249 1 88 . 1 1 12 12 GLU CA C 13 59.663 0.300 . 1 . . . . 12 GLU CA . 10249 1 89 . 1 1 12 12 GLU CB C 13 29.672 0.300 . 1 . . . . 12 GLU CB . 10249 1 90 . 1 1 12 12 GLU CG C 13 36.059 0.300 . 1 . . . . 12 GLU CG . 10249 1 91 . 1 1 12 12 GLU N N 15 122.998 0.300 . 1 . . . . 12 GLU N . 10249 1 92 . 1 1 13 13 GLU H H 1 8.043 0.030 . 1 . . . . 13 GLU H . 10249 1 93 . 1 1 13 13 GLU HA H 1 3.333 0.030 . 1 . . . . 13 GLU HA . 10249 1 94 . 1 1 13 13 GLU HB2 H 1 0.943 0.030 . 2 . . . . 13 GLU HB2 . 10249 1 95 . 1 1 13 13 GLU HB3 H 1 0.684 0.030 . 2 . . . . 13 GLU HB3 . 10249 1 96 . 1 1 13 13 GLU HG2 H 1 1.156 0.030 . 2 . . . . 13 GLU HG2 . 10249 1 97 . 1 1 13 13 GLU HG3 H 1 0.453 0.030 . 2 . . . . 13 GLU HG3 . 10249 1 98 . 1 1 13 13 GLU C C 13 175.451 0.300 . 1 . . . . 13 GLU C . 10249 1 99 . 1 1 13 13 GLU CA C 13 57.634 0.300 . 1 . . . . 13 GLU CA . 10249 1 100 . 1 1 13 13 GLU CB C 13 28.567 0.300 . 1 . . . . 13 GLU CB . 10249 1 101 . 1 1 13 13 GLU CG C 13 35.245 0.300 . 1 . . . . 13 GLU CG . 10249 1 102 . 1 1 13 13 GLU N N 15 113.498 0.300 . 1 . . . . 13 GLU N . 10249 1 103 . 1 1 14 14 PHE H H 1 7.483 0.030 . 1 . . . . 14 PHE H . 10249 1 104 . 1 1 14 14 PHE HA H 1 4.650 0.030 . 1 . . . . 14 PHE HA . 10249 1 105 . 1 1 14 14 PHE HB2 H 1 3.410 0.030 . 2 . . . . 14 PHE HB2 . 10249 1 106 . 1 1 14 14 PHE HB3 H 1 2.568 0.030 . 2 . . . . 14 PHE HB3 . 10249 1 107 . 1 1 14 14 PHE HD1 H 1 6.876 0.030 . 1 . . . . 14 PHE HD1 . 10249 1 108 . 1 1 14 14 PHE HD2 H 1 6.876 0.030 . 1 . . . . 14 PHE HD2 . 10249 1 109 . 1 1 14 14 PHE HE1 H 1 6.534 0.030 . 1 . . . . 14 PHE HE1 . 10249 1 110 . 1 1 14 14 PHE HE2 H 1 6.534 0.030 . 1 . . . . 14 PHE HE2 . 10249 1 111 . 1 1 14 14 PHE HZ H 1 6.769 0.030 . 1 . . . . 14 PHE HZ . 10249 1 112 . 1 1 14 14 PHE C C 13 175.657 0.300 . 1 . . . . 14 PHE C . 10249 1 113 . 1 1 14 14 PHE CA C 13 56.187 0.300 . 1 . . . . 14 PHE CA . 10249 1 114 . 1 1 14 14 PHE CB C 13 39.665 0.300 . 1 . . . . 14 PHE CB . 10249 1 115 . 1 1 14 14 PHE CD1 C 13 131.000 0.300 . 1 . . . . 14 PHE CD1 . 10249 1 116 . 1 1 14 14 PHE CD2 C 13 131.000 0.300 . 1 . . . . 14 PHE CD2 . 10249 1 117 . 1 1 14 14 PHE CE1 C 13 130.790 0.300 . 1 . . . . 14 PHE CE1 . 10249 1 118 . 1 1 14 14 PHE CE2 C 13 130.790 0.300 . 1 . . . . 14 PHE CE2 . 10249 1 119 . 1 1 14 14 PHE CZ C 13 129.418 0.300 . 1 . . . . 14 PHE CZ . 10249 1 120 . 1 1 14 14 PHE N N 15 115.879 0.300 . 1 . . . . 14 PHE N . 10249 1 121 . 1 1 15 15 ARG H H 1 7.757 0.030 . 1 . . . . 15 ARG H . 10249 1 122 . 1 1 15 15 ARG HA H 1 4.154 0.030 . 1 . . . . 15 ARG HA . 10249 1 123 . 1 1 15 15 ARG HB2 H 1 1.974 0.030 . 2 . . . . 15 ARG HB2 . 10249 1 124 . 1 1 15 15 ARG HB3 H 1 1.843 0.030 . 2 . . . . 15 ARG HB3 . 10249 1 125 . 1 1 15 15 ARG HD2 H 1 3.182 0.030 . 1 . . . . 15 ARG HD2 . 10249 1 126 . 1 1 15 15 ARG HD3 H 1 3.182 0.030 . 1 . . . . 15 ARG HD3 . 10249 1 127 . 1 1 15 15 ARG HG2 H 1 1.811 0.030 . 2 . . . . 15 ARG HG2 . 10249 1 128 . 1 1 15 15 ARG HG3 H 1 1.697 0.030 . 2 . . . . 15 ARG HG3 . 10249 1 129 . 1 1 15 15 ARG C C 13 177.353 0.300 . 1 . . . . 15 ARG C . 10249 1 130 . 1 1 15 15 ARG CA C 13 58.092 0.300 . 1 . . . . 15 ARG CA . 10249 1 131 . 1 1 15 15 ARG CB C 13 31.193 0.300 . 1 . . . . 15 ARG CB . 10249 1 132 . 1 1 15 15 ARG CD C 13 43.860 0.300 . 1 . . . . 15 ARG CD . 10249 1 133 . 1 1 15 15 ARG CG C 13 27.986 0.300 . 1 . . . . 15 ARG CG . 10249 1 134 . 1 1 15 15 ARG N N 15 118.945 0.300 . 1 . . . . 15 ARG N . 10249 1 135 . 1 1 16 16 GLY H H 1 8.812 0.030 . 1 . . . . 16 GLY H . 10249 1 136 . 1 1 16 16 GLY HA2 H 1 4.194 0.030 . 2 . . . . 16 GLY HA2 . 10249 1 137 . 1 1 16 16 GLY HA3 H 1 3.824 0.030 . 2 . . . . 16 GLY HA3 . 10249 1 138 . 1 1 16 16 GLY C C 13 173.427 0.300 . 1 . . . . 16 GLY C . 10249 1 139 . 1 1 16 16 GLY CA C 13 45.157 0.300 . 1 . . . . 16 GLY CA . 10249 1 140 . 1 1 16 16 GLY N N 15 109.133 0.300 . 1 . . . . 16 GLY N . 10249 1 141 . 1 1 17 17 VAL H H 1 8.308 0.030 . 1 . . . . 17 VAL H . 10249 1 142 . 1 1 17 17 VAL HA H 1 4.060 0.030 . 1 . . . . 17 VAL HA . 10249 1 143 . 1 1 17 17 VAL HB H 1 2.037 0.030 . 1 . . . . 17 VAL HB . 10249 1 144 . 1 1 17 17 VAL HG11 H 1 1.082 0.030 . 1 . . . . 17 VAL HG1 . 10249 1 145 . 1 1 17 17 VAL HG12 H 1 1.082 0.030 . 1 . . . . 17 VAL HG1 . 10249 1 146 . 1 1 17 17 VAL HG13 H 1 1.082 0.030 . 1 . . . . 17 VAL HG1 . 10249 1 147 . 1 1 17 17 VAL HG21 H 1 0.954 0.030 . 1 . . . . 17 VAL HG2 . 10249 1 148 . 1 1 17 17 VAL HG22 H 1 0.954 0.030 . 1 . . . . 17 VAL HG2 . 10249 1 149 . 1 1 17 17 VAL HG23 H 1 0.954 0.030 . 1 . . . . 17 VAL HG2 . 10249 1 150 . 1 1 17 17 VAL C C 13 176.469 0.300 . 1 . . . . 17 VAL C . 10249 1 151 . 1 1 17 17 VAL CA C 13 62.098 0.300 . 1 . . . . 17 VAL CA . 10249 1 152 . 1 1 17 17 VAL CB C 13 33.414 0.300 . 1 . . . . 17 VAL CB . 10249 1 153 . 1 1 17 17 VAL CG1 C 13 21.608 0.300 . 2 . . . . 17 VAL CG1 . 10249 1 154 . 1 1 17 17 VAL CG2 C 13 21.223 0.300 . 2 . . . . 17 VAL CG2 . 10249 1 155 . 1 1 17 17 VAL N N 15 120.815 0.300 . 1 . . . . 17 VAL N . 10249 1 156 . 1 1 18 18 ILE H H 1 8.547 0.030 . 1 . . . . 18 ILE H . 10249 1 157 . 1 1 18 18 ILE HA H 1 4.186 0.030 . 1 . . . . 18 ILE HA . 10249 1 158 . 1 1 18 18 ILE HB H 1 1.714 0.030 . 1 . . . . 18 ILE HB . 10249 1 159 . 1 1 18 18 ILE HD11 H 1 0.921 0.030 . 1 . . . . 18 ILE HD1 . 10249 1 160 . 1 1 18 18 ILE HD12 H 1 0.921 0.030 . 1 . . . . 18 ILE HD1 . 10249 1 161 . 1 1 18 18 ILE HD13 H 1 0.921 0.030 . 1 . . . . 18 ILE HD1 . 10249 1 162 . 1 1 18 18 ILE HG12 H 1 0.764 0.030 . 2 . . . . 18 ILE HG12 . 10249 1 163 . 1 1 18 18 ILE HG13 H 1 1.884 0.030 . 2 . . . . 18 ILE HG13 . 10249 1 164 . 1 1 18 18 ILE HG21 H 1 0.854 0.030 . 1 . . . . 18 ILE HG2 . 10249 1 165 . 1 1 18 18 ILE HG22 H 1 0.854 0.030 . 1 . . . . 18 ILE HG2 . 10249 1 166 . 1 1 18 18 ILE HG23 H 1 0.854 0.030 . 1 . . . . 18 ILE HG2 . 10249 1 167 . 1 1 18 18 ILE C C 13 177.208 0.300 . 1 . . . . 18 ILE C . 10249 1 168 . 1 1 18 18 ILE CA C 13 63.175 0.300 . 1 . . . . 18 ILE CA . 10249 1 169 . 1 1 18 18 ILE CB C 13 38.596 0.300 . 1 . . . . 18 ILE CB . 10249 1 170 . 1 1 18 18 ILE CD1 C 13 13.853 0.300 . 1 . . . . 18 ILE CD1 . 10249 1 171 . 1 1 18 18 ILE CG1 C 13 28.625 0.300 . 1 . . . . 18 ILE CG1 . 10249 1 172 . 1 1 18 18 ILE CG2 C 13 17.059 0.300 . 1 . . . . 18 ILE CG2 . 10249 1 173 . 1 1 18 18 ILE N N 15 125.006 0.300 . 1 . . . . 18 ILE N . 10249 1 174 . 1 1 19 19 ILE H H 1 9.127 0.030 . 1 . . . . 19 ILE H . 10249 1 175 . 1 1 19 19 ILE HA H 1 4.461 0.030 . 1 . . . . 19 ILE HA . 10249 1 176 . 1 1 19 19 ILE HB H 1 1.796 0.030 . 1 . . . . 19 ILE HB . 10249 1 177 . 1 1 19 19 ILE HD11 H 1 0.764 0.030 . 1 . . . . 19 ILE HD1 . 10249 1 178 . 1 1 19 19 ILE HD12 H 1 0.764 0.030 . 1 . . . . 19 ILE HD1 . 10249 1 179 . 1 1 19 19 ILE HD13 H 1 0.764 0.030 . 1 . . . . 19 ILE HD1 . 10249 1 180 . 1 1 19 19 ILE HG12 H 1 1.153 0.030 . 1 . . . . 19 ILE HG12 . 10249 1 181 . 1 1 19 19 ILE HG13 H 1 1.153 0.030 . 1 . . . . 19 ILE HG13 . 10249 1 182 . 1 1 19 19 ILE HG21 H 1 0.893 0.030 . 1 . . . . 19 ILE HG2 . 10249 1 183 . 1 1 19 19 ILE HG22 H 1 0.893 0.030 . 1 . . . . 19 ILE HG2 . 10249 1 184 . 1 1 19 19 ILE HG23 H 1 0.893 0.030 . 1 . . . . 19 ILE HG2 . 10249 1 185 . 1 1 19 19 ILE C C 13 176.081 0.300 . 1 . . . . 19 ILE C . 10249 1 186 . 1 1 19 19 ILE CA C 13 60.298 0.300 . 1 . . . . 19 ILE CA . 10249 1 187 . 1 1 19 19 ILE CB C 13 39.665 0.300 . 1 . . . . 19 ILE CB . 10249 1 188 . 1 1 19 19 ILE CD1 C 13 12.687 0.300 . 1 . . . . 19 ILE CD1 . 10249 1 189 . 1 1 19 19 ILE CG1 C 13 26.505 0.300 . 1 . . . . 19 ILE CG1 . 10249 1 190 . 1 1 19 19 ILE CG2 C 13 17.863 0.300 . 1 . . . . 19 ILE CG2 . 10249 1 191 . 1 1 19 19 ILE N N 15 124.358 0.300 . 1 . . . . 19 ILE N . 10249 1 192 . 1 1 20 20 LYS H H 1 7.620 0.030 . 1 . . . . 20 LYS H . 10249 1 193 . 1 1 20 20 LYS HA H 1 4.325 0.030 . 1 . . . . 20 LYS HA . 10249 1 194 . 1 1 20 20 LYS HB2 H 1 1.354 0.030 . 2 . . . . 20 LYS HB2 . 10249 1 195 . 1 1 20 20 LYS HB3 H 1 1.091 0.030 . 2 . . . . 20 LYS HB3 . 10249 1 196 . 1 1 20 20 LYS HD2 H 1 -0.384 0.030 . 2 . . . . 20 LYS HD2 . 10249 1 197 . 1 1 20 20 LYS HD3 H 1 0.735 0.030 . 2 . . . . 20 LYS HD3 . 10249 1 198 . 1 1 20 20 LYS HE2 H 1 1.113 0.030 . 2 . . . . 20 LYS HE2 . 10249 1 199 . 1 1 20 20 LYS HE3 H 1 1.544 0.030 . 2 . . . . 20 LYS HE3 . 10249 1 200 . 1 1 20 20 LYS HG2 H 1 0.190 0.030 . 2 . . . . 20 LYS HG2 . 10249 1 201 . 1 1 20 20 LYS HG3 H 1 1.029 0.030 . 2 . . . . 20 LYS HG3 . 10249 1 202 . 1 1 20 20 LYS C C 13 172.760 0.300 . 1 . . . . 20 LYS C . 10249 1 203 . 1 1 20 20 LYS CA C 13 57.298 0.300 . 1 . . . . 20 LYS CA . 10249 1 204 . 1 1 20 20 LYS CB C 13 36.458 0.300 . 1 . . . . 20 LYS CB . 10249 1 205 . 1 1 20 20 LYS CD C 13 28.890 0.300 . 1 . . . . 20 LYS CD . 10249 1 206 . 1 1 20 20 LYS CE C 13 40.076 0.300 . 1 . . . . 20 LYS CE . 10249 1 207 . 1 1 20 20 LYS CG C 13 25.354 0.300 . 1 . . . . 20 LYS CG . 10249 1 208 . 1 1 20 20 LYS N N 15 121.749 0.300 . 1 . . . . 20 LYS N . 10249 1 209 . 1 1 21 21 GLN H H 1 8.572 0.030 . 1 . . . . 21 GLN H . 10249 1 210 . 1 1 21 21 GLN HA H 1 5.927 0.030 . 1 . . . . 21 GLN HA . 10249 1 211 . 1 1 21 21 GLN HB2 H 1 2.314 0.030 . 1 . . . . 21 GLN HB2 . 10249 1 212 . 1 1 21 21 GLN HB3 H 1 2.314 0.030 . 1 . . . . 21 GLN HB3 . 10249 1 213 . 1 1 21 21 GLN HE21 H 1 6.786 0.030 . 2 . . . . 21 GLN HE21 . 10249 1 214 . 1 1 21 21 GLN HE22 H 1 7.502 0.030 . 2 . . . . 21 GLN HE22 . 10249 1 215 . 1 1 21 21 GLN HG2 H 1 2.199 0.030 . 1 . . . . 21 GLN HG2 . 10249 1 216 . 1 1 21 21 GLN HG3 H 1 2.199 0.030 . 1 . . . . 21 GLN HG3 . 10249 1 217 . 1 1 21 21 GLN C C 13 175.124 0.300 . 1 . . . . 21 GLN C . 10249 1 218 . 1 1 21 21 GLN CA C 13 54.227 0.300 . 1 . . . . 21 GLN CA . 10249 1 219 . 1 1 21 21 GLN CB C 13 33.369 0.300 . 1 . . . . 21 GLN CB . 10249 1 220 . 1 1 21 21 GLN CG C 13 33.659 0.300 . 1 . . . . 21 GLN CG . 10249 1 221 . 1 1 21 21 GLN N N 15 121.653 0.300 . 1 . . . . 21 GLN N . 10249 1 222 . 1 1 21 21 GLN NE2 N 15 111.216 0.300 . 1 . . . . 21 GLN NE2 . 10249 1 223 . 1 1 22 22 GLY H H 1 9.178 0.030 . 1 . . . . 22 GLY H . 10249 1 224 . 1 1 22 22 GLY HA2 H 1 4.904 0.030 . 2 . . . . 22 GLY HA2 . 10249 1 225 . 1 1 22 22 GLY HA3 H 1 4.447 0.030 . 2 . . . . 22 GLY HA3 . 10249 1 226 . 1 1 22 22 GLY C C 13 172.300 0.300 . 1 . . . . 22 GLY C . 10249 1 227 . 1 1 22 22 GLY CA C 13 45.650 0.300 . 1 . . . . 22 GLY CA . 10249 1 228 . 1 1 22 22 GLY N N 15 108.544 0.300 . 1 . . . . 22 GLY N . 10249 1 229 . 1 1 23 23 CYS H H 1 9.262 0.030 . 1 . . . . 23 CYS H . 10249 1 230 . 1 1 23 23 CYS HA H 1 5.904 0.030 . 1 . . . . 23 CYS HA . 10249 1 231 . 1 1 23 23 CYS HB2 H 1 3.074 0.030 . 2 . . . . 23 CYS HB2 . 10249 1 232 . 1 1 23 23 CYS HB3 H 1 2.736 0.030 . 2 . . . . 23 CYS HB3 . 10249 1 233 . 1 1 23 23 CYS C C 13 175.293 0.300 . 1 . . . . 23 CYS C . 10249 1 234 . 1 1 23 23 CYS CA C 13 59.222 0.300 . 1 . . . . 23 CYS CA . 10249 1 235 . 1 1 23 23 CYS CB C 13 29.260 0.300 . 1 . . . . 23 CYS CB . 10249 1 236 . 1 1 23 23 CYS N N 15 118.575 0.300 . 1 . . . . 23 CYS N . 10249 1 237 . 1 1 24 24 LEU H H 1 9.131 0.030 . 1 . . . . 24 LEU H . 10249 1 238 . 1 1 24 24 LEU HA H 1 4.627 0.030 . 1 . . . . 24 LEU HA . 10249 1 239 . 1 1 24 24 LEU HB2 H 1 1.235 0.030 . 2 . . . . 24 LEU HB2 . 10249 1 240 . 1 1 24 24 LEU HB3 H 1 0.894 0.030 . 2 . . . . 24 LEU HB3 . 10249 1 241 . 1 1 24 24 LEU HD11 H 1 -1.058 0.030 . 1 . . . . 24 LEU HD1 . 10249 1 242 . 1 1 24 24 LEU HD12 H 1 -1.058 0.030 . 1 . . . . 24 LEU HD1 . 10249 1 243 . 1 1 24 24 LEU HD13 H 1 -1.058 0.030 . 1 . . . . 24 LEU HD1 . 10249 1 244 . 1 1 24 24 LEU HD21 H 1 0.614 0.030 . 1 . . . . 24 LEU HD2 . 10249 1 245 . 1 1 24 24 LEU HD22 H 1 0.614 0.030 . 1 . . . . 24 LEU HD2 . 10249 1 246 . 1 1 24 24 LEU HD23 H 1 0.614 0.030 . 1 . . . . 24 LEU HD2 . 10249 1 247 . 1 1 24 24 LEU HG H 1 0.854 0.030 . 1 . . . . 24 LEU HG . 10249 1 248 . 1 1 24 24 LEU C C 13 175.354 0.300 . 1 . . . . 24 LEU C . 10249 1 249 . 1 1 24 24 LEU CA C 13 53.963 0.300 . 1 . . . . 24 LEU CA . 10249 1 250 . 1 1 24 24 LEU CB C 13 47.315 0.300 . 1 . . . . 24 LEU CB . 10249 1 251 . 1 1 24 24 LEU CD1 C 13 24.013 0.300 . 2 . . . . 24 LEU CD1 . 10249 1 252 . 1 1 24 24 LEU CD2 C 13 23.873 0.300 . 2 . . . . 24 LEU CD2 . 10249 1 253 . 1 1 24 24 LEU CG C 13 26.517 0.300 . 1 . . . . 24 LEU CG . 10249 1 254 . 1 1 24 24 LEU N N 15 122.880 0.300 . 1 . . . . 24 LEU N . 10249 1 255 . 1 1 25 25 LEU H H 1 7.968 0.030 . 1 . . . . 25 LEU H . 10249 1 256 . 1 1 25 25 LEU HA H 1 5.056 0.030 . 1 . . . . 25 LEU HA . 10249 1 257 . 1 1 25 25 LEU HB2 H 1 1.753 0.030 . 2 . . . . 25 LEU HB2 . 10249 1 258 . 1 1 25 25 LEU HB3 H 1 1.555 0.030 . 2 . . . . 25 LEU HB3 . 10249 1 259 . 1 1 25 25 LEU HD11 H 1 0.722 0.030 . 1 . . . . 25 LEU HD1 . 10249 1 260 . 1 1 25 25 LEU HD12 H 1 0.722 0.030 . 1 . . . . 25 LEU HD1 . 10249 1 261 . 1 1 25 25 LEU HD13 H 1 0.722 0.030 . 1 . . . . 25 LEU HD1 . 10249 1 262 . 1 1 25 25 LEU HD21 H 1 0.625 0.030 . 1 . . . . 25 LEU HD2 . 10249 1 263 . 1 1 25 25 LEU HD22 H 1 0.625 0.030 . 1 . . . . 25 LEU HD2 . 10249 1 264 . 1 1 25 25 LEU HD23 H 1 0.625 0.030 . 1 . . . . 25 LEU HD2 . 10249 1 265 . 1 1 25 25 LEU HG H 1 1.614 0.030 . 1 . . . . 25 LEU HG . 10249 1 266 . 1 1 25 25 LEU C C 13 175.766 0.300 . 1 . . . . 25 LEU C . 10249 1 267 . 1 1 25 25 LEU CA C 13 54.810 0.300 . 1 . . . . 25 LEU CA . 10249 1 268 . 1 1 25 25 LEU CB C 13 44.065 0.300 . 1 . . . . 25 LEU CB . 10249 1 269 . 1 1 25 25 LEU CD1 C 13 25.107 0.300 . 2 . . . . 25 LEU CD1 . 10249 1 270 . 1 1 25 25 LEU CD2 C 13 25.107 0.300 . 2 . . . . 25 LEU CD2 . 10249 1 271 . 1 1 25 25 LEU CG C 13 27.810 0.300 . 1 . . . . 25 LEU CG . 10249 1 272 . 1 1 25 25 LEU N N 15 119.755 0.300 . 1 . . . . 25 LEU N . 10249 1 273 . 1 1 26 26 LYS H H 1 9.307 0.030 . 1 . . . . 26 LYS H . 10249 1 274 . 1 1 26 26 LYS HA H 1 5.166 0.030 . 1 . . . . 26 LYS HA . 10249 1 275 . 1 1 26 26 LYS HB2 H 1 1.568 0.030 . 2 . . . . 26 LYS HB2 . 10249 1 276 . 1 1 26 26 LYS HB3 H 1 1.687 0.030 . 2 . . . . 26 LYS HB3 . 10249 1 277 . 1 1 26 26 LYS HD2 H 1 0.944 0.030 . 2 . . . . 26 LYS HD2 . 10249 1 278 . 1 1 26 26 LYS HD3 H 1 1.244 0.030 . 2 . . . . 26 LYS HD3 . 10249 1 279 . 1 1 26 26 LYS HE2 H 1 2.624 0.030 . 2 . . . . 26 LYS HE2 . 10249 1 280 . 1 1 26 26 LYS HE3 H 1 2.535 0.030 . 2 . . . . 26 LYS HE3 . 10249 1 281 . 1 1 26 26 LYS HG2 H 1 1.486 0.030 . 2 . . . . 26 LYS HG2 . 10249 1 282 . 1 1 26 26 LYS HG3 H 1 1.243 0.030 . 2 . . . . 26 LYS HG3 . 10249 1 283 . 1 1 26 26 LYS C C 13 175.778 0.300 . 1 . . . . 26 LYS C . 10249 1 284 . 1 1 26 26 LYS CA C 13 54.687 0.300 . 1 . . . . 26 LYS CA . 10249 1 285 . 1 1 26 26 LYS CB C 13 37.033 0.300 . 1 . . . . 26 LYS CB . 10249 1 286 . 1 1 26 26 LYS CD C 13 29.609 0.300 . 1 . . . . 26 LYS CD . 10249 1 287 . 1 1 26 26 LYS CE C 13 41.686 0.300 . 1 . . . . 26 LYS CE . 10249 1 288 . 1 1 26 26 LYS CG C 13 24.860 0.300 . 1 . . . . 26 LYS CG . 10249 1 289 . 1 1 26 26 LYS N N 15 122.635 0.300 . 1 . . . . 26 LYS N . 10249 1 290 . 1 1 27 27 GLN H H 1 8.228 0.030 . 1 . . . . 27 GLN H . 10249 1 291 . 1 1 27 27 GLN HA H 1 3.839 0.030 . 1 . . . . 27 GLN HA . 10249 1 292 . 1 1 27 27 GLN HB2 H 1 1.557 0.030 . 2 . . . . 27 GLN HB2 . 10249 1 293 . 1 1 27 27 GLN HB3 H 1 0.244 0.030 . 2 . . . . 27 GLN HB3 . 10249 1 294 . 1 1 27 27 GLN HE21 H 1 6.376 0.030 . 2 . . . . 27 GLN HE21 . 10249 1 295 . 1 1 27 27 GLN HE22 H 1 6.478 0.030 . 2 . . . . 27 GLN HE22 . 10249 1 296 . 1 1 27 27 GLN HG2 H 1 1.705 0.030 . 2 . . . . 27 GLN HG2 . 10249 1 297 . 1 1 27 27 GLN HG3 H 1 0.614 0.030 . 2 . . . . 27 GLN HG3 . 10249 1 298 . 1 1 27 27 GLN C C 13 176.869 0.300 . 1 . . . . 27 GLN C . 10249 1 299 . 1 1 27 27 GLN CA C 13 55.922 0.300 . 1 . . . . 27 GLN CA . 10249 1 300 . 1 1 27 27 GLN CB C 13 29.589 0.300 . 1 . . . . 27 GLN CB . 10249 1 301 . 1 1 27 27 GLN CG C 13 34.170 0.300 . 1 . . . . 27 GLN CG . 10249 1 302 . 1 1 27 27 GLN N N 15 132.145 0.300 . 1 . . . . 27 GLN N . 10249 1 303 . 1 1 27 27 GLN NE2 N 15 110.707 0.300 . 1 . . . . 27 GLN NE2 . 10249 1 304 . 1 1 28 28 GLY H H 1 8.434 0.030 . 1 . . . . 28 GLY H . 10249 1 305 . 1 1 28 28 GLY HA2 H 1 4.144 0.030 . 2 . . . . 28 GLY HA2 . 10249 1 306 . 1 1 28 28 GLY HA3 H 1 3.999 0.030 . 2 . . . . 28 GLY HA3 . 10249 1 307 . 1 1 28 28 GLY CA C 13 45.457 0.300 . 1 . . . . 28 GLY CA . 10249 1 308 . 1 1 28 28 GLY N N 15 114.691 0.300 . 1 . . . . 28 GLY N . 10249 1 309 . 1 1 29 29 HIS HA H 1 4.352 0.030 . 1 . . . . 29 HIS HA . 10249 1 310 . 1 1 29 29 HIS HB2 H 1 3.141 0.030 . 2 . . . . 29 HIS HB2 . 10249 1 311 . 1 1 29 29 HIS HB3 H 1 3.070 0.030 . 2 . . . . 29 HIS HB3 . 10249 1 312 . 1 1 29 29 HIS HD2 H 1 6.988 0.030 . 1 . . . . 29 HIS HD2 . 10249 1 313 . 1 1 29 29 HIS HE1 H 1 7.624 0.030 . 1 . . . . 29 HIS HE1 . 10249 1 314 . 1 1 29 29 HIS CA C 13 58.505 0.300 . 1 . . . . 29 HIS CA . 10249 1 315 . 1 1 29 29 HIS CB C 13 30.967 0.300 . 1 . . . . 29 HIS CB . 10249 1 316 . 1 1 29 29 HIS CD2 C 13 119.441 0.300 . 1 . . . . 29 HIS CD2 . 10249 1 317 . 1 1 29 29 HIS CE1 C 13 138.821 0.300 . 1 . . . . 29 HIS CE1 . 10249 1 318 . 1 1 30 30 ARG HA H 1 4.114 0.030 . 1 . . . . 30 ARG HA . 10249 1 319 . 1 1 30 30 ARG HB2 H 1 1.805 0.030 . 1 . . . . 30 ARG HB2 . 10249 1 320 . 1 1 30 30 ARG HB3 H 1 1.805 0.030 . 1 . . . . 30 ARG HB3 . 10249 1 321 . 1 1 30 30 ARG HD2 H 1 3.096 0.030 . 1 . . . . 30 ARG HD2 . 10249 1 322 . 1 1 30 30 ARG HD3 H 1 3.096 0.030 . 1 . . . . 30 ARG HD3 . 10249 1 323 . 1 1 30 30 ARG HG2 H 1 1.336 0.030 . 1 . . . . 30 ARG HG2 . 10249 1 324 . 1 1 30 30 ARG HG3 H 1 1.336 0.030 . 1 . . . . 30 ARG HG3 . 10249 1 325 . 1 1 30 30 ARG CA C 13 56.429 0.300 . 1 . . . . 30 ARG CA . 10249 1 326 . 1 1 30 30 ARG CB C 13 29.591 0.300 . 1 . . . . 30 ARG CB . 10249 1 327 . 1 1 30 30 ARG CD C 13 43.247 0.300 . 1 . . . . 30 ARG CD . 10249 1 328 . 1 1 30 30 ARG CG C 13 27.142 0.300 . 1 . . . . 30 ARG CG . 10249 1 329 . 1 1 31 31 ARG HA H 1 3.774 0.030 . 1 . . . . 31 ARG HA . 10249 1 330 . 1 1 31 31 ARG HB2 H 1 1.709 0.030 . 1 . . . . 31 ARG HB2 . 10249 1 331 . 1 1 31 31 ARG HB3 H 1 1.709 0.030 . 1 . . . . 31 ARG HB3 . 10249 1 332 . 1 1 31 31 ARG HD2 H 1 3.033 0.030 . 1 . . . . 31 ARG HD2 . 10249 1 333 . 1 1 31 31 ARG HD3 H 1 3.033 0.030 . 1 . . . . 31 ARG HD3 . 10249 1 334 . 1 1 31 31 ARG HG2 H 1 1.483 0.030 . 2 . . . . 31 ARG HG2 . 10249 1 335 . 1 1 31 31 ARG HG3 H 1 1.365 0.030 . 2 . . . . 31 ARG HG3 . 10249 1 336 . 1 1 31 31 ARG C C 13 175.536 0.300 . 1 . . . . 31 ARG C . 10249 1 337 . 1 1 31 31 ARG CA C 13 55.922 0.300 . 1 . . . . 31 ARG CA . 10249 1 338 . 1 1 31 31 ARG CB C 13 29.302 0.300 . 1 . . . . 31 ARG CB . 10249 1 339 . 1 1 31 31 ARG CD C 13 43.202 0.300 . 1 . . . . 31 ARG CD . 10249 1 340 . 1 1 31 31 ARG CG C 13 27.141 0.300 . 1 . . . . 31 ARG CG . 10249 1 341 . 1 1 32 32 LYS H H 1 8.011 0.030 . 1 . . . . 32 LYS H . 10249 1 342 . 1 1 32 32 LYS HA H 1 4.164 0.030 . 1 . . . . 32 LYS HA . 10249 1 343 . 1 1 32 32 LYS HB2 H 1 1.723 0.030 . 2 . . . . 32 LYS HB2 . 10249 1 344 . 1 1 32 32 LYS HB3 H 1 1.794 0.030 . 2 . . . . 32 LYS HB3 . 10249 1 345 . 1 1 32 32 LYS HD2 H 1 1.529 0.030 . 1 . . . . 32 LYS HD2 . 10249 1 346 . 1 1 32 32 LYS HD3 H 1 1.529 0.030 . 1 . . . . 32 LYS HD3 . 10249 1 347 . 1 1 32 32 LYS HE2 H 1 2.898 0.030 . 1 . . . . 32 LYS HE2 . 10249 1 348 . 1 1 32 32 LYS HE3 H 1 2.898 0.030 . 1 . . . . 32 LYS HE3 . 10249 1 349 . 1 1 32 32 LYS HG2 H 1 1.204 0.030 . 2 . . . . 32 LYS HG2 . 10249 1 350 . 1 1 32 32 LYS HG3 H 1 1.294 0.030 . 2 . . . . 32 LYS HG3 . 10249 1 351 . 1 1 32 32 LYS C C 13 175.741 0.300 . 1 . . . . 32 LYS C . 10249 1 352 . 1 1 32 32 LYS CA C 13 56.239 0.300 . 1 . . . . 32 LYS CA . 10249 1 353 . 1 1 32 32 LYS CB C 13 32.016 0.300 . 1 . . . . 32 LYS CB . 10249 1 354 . 1 1 32 32 LYS CD C 13 28.644 0.300 . 1 . . . . 32 LYS CD . 10249 1 355 . 1 1 32 32 LYS CE C 13 42.133 0.300 . 1 . . . . 32 LYS CE . 10249 1 356 . 1 1 32 32 LYS CG C 13 24.696 0.300 . 1 . . . . 32 LYS CG . 10249 1 357 . 1 1 32 32 LYS N N 15 117.463 0.300 . 1 . . . . 32 LYS N . 10249 1 358 . 1 1 33 33 ASN H H 1 7.870 0.030 . 1 . . . . 33 ASN H . 10249 1 359 . 1 1 33 33 ASN HA H 1 4.807 0.030 . 1 . . . . 33 ASN HA . 10249 1 360 . 1 1 33 33 ASN HB2 H 1 2.784 0.030 . 1 . . . . 33 ASN HB2 . 10249 1 361 . 1 1 33 33 ASN HB3 H 1 2.784 0.030 . 1 . . . . 33 ASN HB3 . 10249 1 362 . 1 1 33 33 ASN HD21 H 1 7.610 0.030 . 2 . . . . 33 ASN HD21 . 10249 1 363 . 1 1 33 33 ASN HD22 H 1 6.921 0.030 . 2 . . . . 33 ASN HD22 . 10249 1 364 . 1 1 33 33 ASN C C 13 173.681 0.300 . 1 . . . . 33 ASN C . 10249 1 365 . 1 1 33 33 ASN CA C 13 52.551 0.300 . 1 . . . . 33 ASN CA . 10249 1 366 . 1 1 33 33 ASN CB C 13 39.830 0.300 . 1 . . . . 33 ASN CB . 10249 1 367 . 1 1 33 33 ASN N N 15 117.522 0.300 . 1 . . . . 33 ASN N . 10249 1 368 . 1 1 33 33 ASN ND2 N 15 112.888 0.300 . 1 . . . . 33 ASN ND2 . 10249 1 369 . 1 1 34 34 TRP H H 1 8.704 0.030 . 1 . . . . 34 TRP H . 10249 1 370 . 1 1 34 34 TRP HA H 1 4.807 0.030 . 1 . . . . 34 TRP HA . 10249 1 371 . 1 1 34 34 TRP HB2 H 1 2.965 0.030 . 2 . . . . 34 TRP HB2 . 10249 1 372 . 1 1 34 34 TRP HB3 H 1 3.013 0.030 . 2 . . . . 34 TRP HB3 . 10249 1 373 . 1 1 34 34 TRP HD1 H 1 7.259 0.030 . 1 . . . . 34 TRP HD1 . 10249 1 374 . 1 1 34 34 TRP HE1 H 1 10.322 0.030 . 1 . . . . 34 TRP HE1 . 10249 1 375 . 1 1 34 34 TRP HE3 H 1 7.043 0.030 . 1 . . . . 34 TRP HE3 . 10249 1 376 . 1 1 34 34 TRP HH2 H 1 6.741 0.030 . 1 . . . . 34 TRP HH2 . 10249 1 377 . 1 1 34 34 TRP HZ2 H 1 7.252 0.030 . 1 . . . . 34 TRP HZ2 . 10249 1 378 . 1 1 34 34 TRP HZ3 H 1 6.787 0.030 . 1 . . . . 34 TRP HZ3 . 10249 1 379 . 1 1 34 34 TRP C C 13 176.129 0.300 . 1 . . . . 34 TRP C . 10249 1 380 . 1 1 34 34 TRP CA C 13 56.540 0.300 . 1 . . . . 34 TRP CA . 10249 1 381 . 1 1 34 34 TRP CB C 13 31.399 0.300 . 1 . . . . 34 TRP CB . 10249 1 382 . 1 1 34 34 TRP CD1 C 13 128.073 0.300 . 1 . . . . 34 TRP CD1 . 10249 1 383 . 1 1 34 34 TRP CE3 C 13 119.822 0.300 . 1 . . . . 34 TRP CE3 . 10249 1 384 . 1 1 34 34 TRP CH2 C 13 124.100 0.300 . 1 . . . . 34 TRP CH2 . 10249 1 385 . 1 1 34 34 TRP CZ2 C 13 114.974 0.300 . 1 . . . . 34 TRP CZ2 . 10249 1 386 . 1 1 34 34 TRP CZ3 C 13 122.502 0.300 . 1 . . . . 34 TRP CZ3 . 10249 1 387 . 1 1 34 34 TRP N N 15 121.620 0.300 . 1 . . . . 34 TRP N . 10249 1 388 . 1 1 34 34 TRP NE1 N 15 130.991 0.300 . 1 . . . . 34 TRP NE1 . 10249 1 389 . 1 1 35 35 LYS H H 1 8.457 0.030 . 1 . . . . 35 LYS H . 10249 1 390 . 1 1 35 35 LYS HA H 1 4.876 0.030 . 1 . . . . 35 LYS HA . 10249 1 391 . 1 1 35 35 LYS HB2 H 1 1.695 0.030 . 1 . . . . 35 LYS HB2 . 10249 1 392 . 1 1 35 35 LYS HB3 H 1 1.695 0.030 . 1 . . . . 35 LYS HB3 . 10249 1 393 . 1 1 35 35 LYS HD2 H 1 1.683 0.030 . 1 . . . . 35 LYS HD2 . 10249 1 394 . 1 1 35 35 LYS HD3 H 1 1.683 0.030 . 1 . . . . 35 LYS HD3 . 10249 1 395 . 1 1 35 35 LYS HE2 H 1 2.981 0.030 . 1 . . . . 35 LYS HE2 . 10249 1 396 . 1 1 35 35 LYS HE3 H 1 2.981 0.030 . 1 . . . . 35 LYS HE3 . 10249 1 397 . 1 1 35 35 LYS HG2 H 1 1.394 0.030 . 1 . . . . 35 LYS HG2 . 10249 1 398 . 1 1 35 35 LYS HG3 H 1 1.394 0.030 . 1 . . . . 35 LYS HG3 . 10249 1 399 . 1 1 35 35 LYS C C 13 176.081 0.300 . 1 . . . . 35 LYS C . 10249 1 400 . 1 1 35 35 LYS CA C 13 54.298 0.300 . 1 . . . . 35 LYS CA . 10249 1 401 . 1 1 35 35 LYS CB C 13 36.498 0.300 . 1 . . . . 35 LYS CB . 10249 1 402 . 1 1 35 35 LYS CD C 13 29.359 0.300 . 1 . . . . 35 LYS CD . 10249 1 403 . 1 1 35 35 LYS CE C 13 42.197 0.300 . 1 . . . . 35 LYS CE . 10249 1 404 . 1 1 35 35 LYS CG C 13 25.071 0.300 . 1 . . . . 35 LYS CG . 10249 1 405 . 1 1 35 35 LYS N N 15 120.816 0.300 . 1 . . . . 35 LYS N . 10249 1 406 . 1 1 36 36 VAL H H 1 8.974 0.030 . 1 . . . . 36 VAL H . 10249 1 407 . 1 1 36 36 VAL HA H 1 4.254 0.030 . 1 . . . . 36 VAL HA . 10249 1 408 . 1 1 36 36 VAL HB H 1 2.073 0.030 . 1 . . . . 36 VAL HB . 10249 1 409 . 1 1 36 36 VAL HG11 H 1 0.974 0.030 . 1 . . . . 36 VAL HG1 . 10249 1 410 . 1 1 36 36 VAL HG12 H 1 0.974 0.030 . 1 . . . . 36 VAL HG1 . 10249 1 411 . 1 1 36 36 VAL HG13 H 1 0.974 0.030 . 1 . . . . 36 VAL HG1 . 10249 1 412 . 1 1 36 36 VAL HG21 H 1 1.064 0.030 . 1 . . . . 36 VAL HG2 . 10249 1 413 . 1 1 36 36 VAL HG22 H 1 1.064 0.030 . 1 . . . . 36 VAL HG2 . 10249 1 414 . 1 1 36 36 VAL HG23 H 1 1.064 0.030 . 1 . . . . 36 VAL HG2 . 10249 1 415 . 1 1 36 36 VAL C C 13 176.808 0.300 . 1 . . . . 36 VAL C . 10249 1 416 . 1 1 36 36 VAL CA C 13 63.828 0.300 . 1 . . . . 36 VAL CA . 10249 1 417 . 1 1 36 36 VAL CB C 13 31.687 0.300 . 1 . . . . 36 VAL CB . 10249 1 418 . 1 1 36 36 VAL CG1 C 13 21.339 0.300 . 2 . . . . 36 VAL CG1 . 10249 1 419 . 1 1 36 36 VAL CG2 C 13 22.143 0.300 . 2 . . . . 36 VAL CG2 . 10249 1 420 . 1 1 36 36 VAL N N 15 123.825 0.300 . 1 . . . . 36 VAL N . 10249 1 421 . 1 1 37 37 ARG H H 1 9.327 0.030 . 1 . . . . 37 ARG H . 10249 1 422 . 1 1 37 37 ARG HA H 1 4.930 0.030 . 1 . . . . 37 ARG HA . 10249 1 423 . 1 1 37 37 ARG HB2 H 1 1.665 0.030 . 1 . . . . 37 ARG HB2 . 10249 1 424 . 1 1 37 37 ARG HB3 H 1 1.665 0.030 . 1 . . . . 37 ARG HB3 . 10249 1 425 . 1 1 37 37 ARG HD2 H 1 3.284 0.030 . 2 . . . . 37 ARG HD2 . 10249 1 426 . 1 1 37 37 ARG HD3 H 1 2.937 0.030 . 2 . . . . 37 ARG HD3 . 10249 1 427 . 1 1 37 37 ARG C C 13 173.815 0.300 . 1 . . . . 37 ARG C . 10249 1 428 . 1 1 37 37 ARG CA C 13 54.351 0.300 . 1 . . . . 37 ARG CA . 10249 1 429 . 1 1 37 37 ARG CB C 13 34.709 0.300 . 1 . . . . 37 ARG CB . 10249 1 430 . 1 1 37 37 ARG CD C 13 43.299 0.300 . 1 . . . . 37 ARG CD . 10249 1 431 . 1 1 37 37 ARG CG C 13 29.308 0.300 . 1 . . . . 37 ARG CG . 10249 1 432 . 1 1 37 37 ARG N N 15 128.926 0.300 . 1 . . . . 37 ARG N . 10249 1 433 . 1 1 38 38 LYS H H 1 8.714 0.030 . 1 . . . . 38 LYS H . 10249 1 434 . 1 1 38 38 LYS HA H 1 4.959 0.030 . 1 . . . . 38 LYS HA . 10249 1 435 . 1 1 38 38 LYS HB2 H 1 1.737 0.030 . 2 . . . . 38 LYS HB2 . 10249 1 436 . 1 1 38 38 LYS HB3 H 1 1.671 0.030 . 2 . . . . 38 LYS HB3 . 10249 1 437 . 1 1 38 38 LYS HD2 H 1 1.654 0.030 . 2 . . . . 38 LYS HD2 . 10249 1 438 . 1 1 38 38 LYS HD3 H 1 1.524 0.030 . 2 . . . . 38 LYS HD3 . 10249 1 439 . 1 1 38 38 LYS HE2 H 1 2.724 0.030 . 2 . . . . 38 LYS HE2 . 10249 1 440 . 1 1 38 38 LYS HE3 H 1 2.663 0.030 . 2 . . . . 38 LYS HE3 . 10249 1 441 . 1 1 38 38 LYS HG2 H 1 1.434 0.030 . 2 . . . . 38 LYS HG2 . 10249 1 442 . 1 1 38 38 LYS HG3 H 1 1.224 0.030 . 2 . . . . 38 LYS HG3 . 10249 1 443 . 1 1 38 38 LYS C C 13 175.075 0.300 . 1 . . . . 38 LYS C . 10249 1 444 . 1 1 38 38 LYS CA C 13 55.869 0.300 . 1 . . . . 38 LYS CA . 10249 1 445 . 1 1 38 38 LYS CB C 13 34.072 0.300 . 1 . . . . 38 LYS CB . 10249 1 446 . 1 1 38 38 LYS CD C 13 29.302 0.300 . 1 . . . . 38 LYS CD . 10249 1 447 . 1 1 38 38 LYS CE C 13 41.968 0.300 . 1 . . . . 38 LYS CE . 10249 1 448 . 1 1 38 38 LYS CG C 13 25.479 0.300 . 1 . . . . 38 LYS CG . 10249 1 449 . 1 1 38 38 LYS N N 15 121.669 0.300 . 1 . . . . 38 LYS N . 10249 1 450 . 1 1 39 39 PHE H H 1 9.751 0.030 . 1 . . . . 39 PHE H . 10249 1 451 . 1 1 39 39 PHE HA H 1 5.591 0.030 . 1 . . . . 39 PHE HA . 10249 1 452 . 1 1 39 39 PHE HB2 H 1 3.067 0.030 . 2 . . . . 39 PHE HB2 . 10249 1 453 . 1 1 39 39 PHE HB3 H 1 2.760 0.030 . 2 . . . . 39 PHE HB3 . 10249 1 454 . 1 1 39 39 PHE HD1 H 1 7.092 0.030 . 1 . . . . 39 PHE HD1 . 10249 1 455 . 1 1 39 39 PHE HD2 H 1 7.092 0.030 . 1 . . . . 39 PHE HD2 . 10249 1 456 . 1 1 39 39 PHE HE1 H 1 6.786 0.030 . 1 . . . . 39 PHE HE1 . 10249 1 457 . 1 1 39 39 PHE HE2 H 1 6.786 0.030 . 1 . . . . 39 PHE HE2 . 10249 1 458 . 1 1 39 39 PHE HZ H 1 6.428 0.030 . 1 . . . . 39 PHE HZ . 10249 1 459 . 1 1 39 39 PHE C C 13 175.414 0.300 . 1 . . . . 39 PHE C . 10249 1 460 . 1 1 39 39 PHE CA C 13 57.474 0.300 . 1 . . . . 39 PHE CA . 10249 1 461 . 1 1 39 39 PHE CB C 13 42.667 0.300 . 1 . . . . 39 PHE CB . 10249 1 462 . 1 1 39 39 PHE CD1 C 13 131.953 0.300 . 1 . . . . 39 PHE CD1 . 10249 1 463 . 1 1 39 39 PHE CD2 C 13 131.953 0.300 . 1 . . . . 39 PHE CD2 . 10249 1 464 . 1 1 39 39 PHE CE1 C 13 130.855 0.300 . 1 . . . . 39 PHE CE1 . 10249 1 465 . 1 1 39 39 PHE CE2 C 13 130.855 0.300 . 1 . . . . 39 PHE CE2 . 10249 1 466 . 1 1 39 39 PHE CZ C 13 128.304 0.300 . 1 . . . . 39 PHE CZ . 10249 1 467 . 1 1 39 39 PHE N N 15 127.216 0.300 . 1 . . . . 39 PHE N . 10249 1 468 . 1 1 40 40 ILE H H 1 9.246 0.030 . 1 . . . . 40 ILE H . 10249 1 469 . 1 1 40 40 ILE HA H 1 4.864 0.030 . 1 . . . . 40 ILE HA . 10249 1 470 . 1 1 40 40 ILE HB H 1 2.225 0.030 . 1 . . . . 40 ILE HB . 10249 1 471 . 1 1 40 40 ILE HD11 H 1 0.742 0.030 . 1 . . . . 40 ILE HD1 . 10249 1 472 . 1 1 40 40 ILE HD12 H 1 0.742 0.030 . 1 . . . . 40 ILE HD1 . 10249 1 473 . 1 1 40 40 ILE HD13 H 1 0.742 0.030 . 1 . . . . 40 ILE HD1 . 10249 1 474 . 1 1 40 40 ILE HG12 H 1 1.274 0.030 . 2 . . . . 40 ILE HG12 . 10249 1 475 . 1 1 40 40 ILE HG13 H 1 1.674 0.030 . 2 . . . . 40 ILE HG13 . 10249 1 476 . 1 1 40 40 ILE HG21 H 1 1.074 0.030 . 1 . . . . 40 ILE HG2 . 10249 1 477 . 1 1 40 40 ILE HG22 H 1 1.074 0.030 . 1 . . . . 40 ILE HG2 . 10249 1 478 . 1 1 40 40 ILE HG23 H 1 1.074 0.030 . 1 . . . . 40 ILE HG2 . 10249 1 479 . 1 1 40 40 ILE C C 13 174.724 0.300 . 1 . . . . 40 ILE C . 10249 1 480 . 1 1 40 40 ILE CA C 13 62.134 0.300 . 1 . . . . 40 ILE CA . 10249 1 481 . 1 1 40 40 ILE CB C 13 41.022 0.300 . 1 . . . . 40 ILE CB . 10249 1 482 . 1 1 40 40 ILE CD1 C 13 13.098 0.300 . 1 . . . . 40 ILE CD1 . 10249 1 483 . 1 1 40 40 ILE CG1 C 13 27.469 0.300 . 1 . . . . 40 ILE CG1 . 10249 1 484 . 1 1 40 40 ILE CG2 C 13 19.220 0.300 . 1 . . . . 40 ILE CG2 . 10249 1 485 . 1 1 40 40 ILE N N 15 119.337 0.300 . 1 . . . . 40 ILE N . 10249 1 486 . 1 1 41 41 LEU H H 1 9.549 0.030 . 1 . . . . 41 LEU H . 10249 1 487 . 1 1 41 41 LEU HA H 1 5.485 0.030 . 1 . . . . 41 LEU HA . 10249 1 488 . 1 1 41 41 LEU HB2 H 1 2.247 0.030 . 2 . . . . 41 LEU HB2 . 10249 1 489 . 1 1 41 41 LEU HB3 H 1 1.614 0.030 . 2 . . . . 41 LEU HB3 . 10249 1 490 . 1 1 41 41 LEU HD11 H 1 1.005 0.030 . 1 . . . . 41 LEU HD1 . 10249 1 491 . 1 1 41 41 LEU HD12 H 1 1.005 0.030 . 1 . . . . 41 LEU HD1 . 10249 1 492 . 1 1 41 41 LEU HD13 H 1 1.005 0.030 . 1 . . . . 41 LEU HD1 . 10249 1 493 . 1 1 41 41 LEU HD21 H 1 0.781 0.030 . 1 . . . . 41 LEU HD2 . 10249 1 494 . 1 1 41 41 LEU HD22 H 1 0.781 0.030 . 1 . . . . 41 LEU HD2 . 10249 1 495 . 1 1 41 41 LEU HD23 H 1 0.781 0.030 . 1 . . . . 41 LEU HD2 . 10249 1 496 . 1 1 41 41 LEU HG H 1 1.404 0.030 . 1 . . . . 41 LEU HG . 10249 1 497 . 1 1 41 41 LEU C C 13 174.457 0.300 . 1 . . . . 41 LEU C . 10249 1 498 . 1 1 41 41 LEU CA C 13 54.004 0.300 . 1 . . . . 41 LEU CA . 10249 1 499 . 1 1 41 41 LEU CB C 13 45.299 0.300 . 1 . . . . 41 LEU CB . 10249 1 500 . 1 1 41 41 LEU CD1 C 13 25.619 0.300 . 2 . . . . 41 LEU CD1 . 10249 1 501 . 1 1 41 41 LEU CD2 C 13 27.657 0.300 . 2 . . . . 41 LEU CD2 . 10249 1 502 . 1 1 41 41 LEU CG C 13 27.779 0.300 . 1 . . . . 41 LEU CG . 10249 1 503 . 1 1 41 41 LEU N N 15 132.451 0.300 . 1 . . . . 41 LEU N . 10249 1 504 . 1 1 42 42 ARG H H 1 9.383 0.030 . 1 . . . . 42 ARG H . 10249 1 505 . 1 1 42 42 ARG HA H 1 5.492 0.030 . 1 . . . . 42 ARG HA . 10249 1 506 . 1 1 42 42 ARG HB2 H 1 1.804 0.030 . 2 . . . . 42 ARG HB2 . 10249 1 507 . 1 1 42 42 ARG HB3 H 1 1.723 0.030 . 2 . . . . 42 ARG HB3 . 10249 1 508 . 1 1 42 42 ARG HD2 H 1 3.404 0.030 . 2 . . . . 42 ARG HD2 . 10249 1 509 . 1 1 42 42 ARG HD3 H 1 3.244 0.030 . 2 . . . . 42 ARG HD3 . 10249 1 510 . 1 1 42 42 ARG HE H 1 7.254 0.030 . 1 . . . . 42 ARG HE . 10249 1 511 . 1 1 42 42 ARG HG2 H 1 1.384 0.030 . 2 . . . . 42 ARG HG2 . 10249 1 512 . 1 1 42 42 ARG HG3 H 1 1.784 0.030 . 2 . . . . 42 ARG HG3 . 10249 1 513 . 1 1 42 42 ARG C C 13 174.893 0.300 . 1 . . . . 42 ARG C . 10249 1 514 . 1 1 42 42 ARG CA C 13 54.421 0.300 . 1 . . . . 42 ARG CA . 10249 1 515 . 1 1 42 42 ARG CB C 13 35.470 0.300 . 1 . . . . 42 ARG CB . 10249 1 516 . 1 1 42 42 ARG CD C 13 44.271 0.300 . 1 . . . . 42 ARG CD . 10249 1 517 . 1 1 42 42 ARG CG C 13 30.134 0.300 . 1 . . . . 42 ARG CG . 10249 1 518 . 1 1 42 42 ARG N N 15 128.467 0.300 . 1 . . . . 42 ARG N . 10249 1 519 . 1 1 42 42 ARG NE N 15 85.995 0.300 . 1 . . . . 42 ARG NE . 10249 1 520 . 1 1 43 43 GLU H H 1 8.259 0.030 . 1 . . . . 43 GLU H . 10249 1 521 . 1 1 43 43 GLU HA H 1 4.366 0.030 . 1 . . . . 43 GLU HA . 10249 1 522 . 1 1 43 43 GLU HB2 H 1 1.911 0.030 . 2 . . . . 43 GLU HB2 . 10249 1 523 . 1 1 43 43 GLU HB3 H 1 2.034 0.030 . 2 . . . . 43 GLU HB3 . 10249 1 524 . 1 1 43 43 GLU HG2 H 1 2.135 0.030 . 2 . . . . 43 GLU HG2 . 10249 1 525 . 1 1 43 43 GLU HG3 H 1 2.234 0.030 . 2 . . . . 43 GLU HG3 . 10249 1 526 . 1 1 43 43 GLU C C 13 174.893 0.300 . 1 . . . . 43 GLU C . 10249 1 527 . 1 1 43 43 GLU CA C 13 54.898 0.300 . 1 . . . . 43 GLU CA . 10249 1 528 . 1 1 43 43 GLU CB C 13 33.102 0.300 . 1 . . . . 43 GLU CB . 10249 1 529 . 1 1 43 43 GLU CG C 13 35.779 0.300 . 1 . . . . 43 GLU CG . 10249 1 530 . 1 1 43 43 GLU N N 15 115.434 0.300 . 1 . . . . 43 GLU N . 10249 1 531 . 1 1 44 44 ASP H H 1 7.870 0.030 . 1 . . . . 44 ASP H . 10249 1 532 . 1 1 44 44 ASP HA H 1 4.433 0.030 . 1 . . . . 44 ASP HA . 10249 1 533 . 1 1 44 44 ASP HB2 H 1 2.464 0.030 . 2 . . . . 44 ASP HB2 . 10249 1 534 . 1 1 44 44 ASP HB3 H 1 3.072 0.030 . 2 . . . . 44 ASP HB3 . 10249 1 535 . 1 1 44 44 ASP C C 13 172.991 0.300 . 1 . . . . 44 ASP C . 10249 1 536 . 1 1 44 44 ASP CA C 13 53.892 0.300 . 1 . . . . 44 ASP CA . 10249 1 537 . 1 1 44 44 ASP CB C 13 41.146 0.300 . 1 . . . . 44 ASP CB . 10249 1 538 . 1 1 44 44 ASP N N 15 114.444 0.300 . 1 . . . . 44 ASP N . 10249 1 539 . 1 1 45 45 PRO HA H 1 4.710 0.030 . 1 . . . . 45 PRO HA . 10249 1 540 . 1 1 45 45 PRO HB2 H 1 2.491 0.030 . 2 . . . . 45 PRO HB2 . 10249 1 541 . 1 1 45 45 PRO HB3 H 1 2.129 0.030 . 2 . . . . 45 PRO HB3 . 10249 1 542 . 1 1 45 45 PRO HD2 H 1 3.504 0.030 . 2 . . . . 45 PRO HD2 . 10249 1 543 . 1 1 45 45 PRO HD3 H 1 3.617 0.030 . 2 . . . . 45 PRO HD3 . 10249 1 544 . 1 1 45 45 PRO HG2 H 1 1.994 0.030 . 2 . . . . 45 PRO HG2 . 10249 1 545 . 1 1 45 45 PRO HG3 H 1 2.113 0.030 . 2 . . . . 45 PRO HG3 . 10249 1 546 . 1 1 45 45 PRO C C 13 176.747 0.300 . 1 . . . . 45 PRO C . 10249 1 547 . 1 1 45 45 PRO CA C 13 63.246 0.300 . 1 . . . . 45 PRO CA . 10249 1 548 . 1 1 45 45 PRO CB C 13 34.977 0.300 . 1 . . . . 45 PRO CB . 10249 1 549 . 1 1 45 45 PRO CD C 13 50.687 0.300 . 1 . . . . 45 PRO CD . 10249 1 550 . 1 1 45 45 PRO CG C 13 25.354 0.300 . 1 . . . . 45 PRO CG . 10249 1 551 . 1 1 46 46 ALA H H 1 8.356 0.030 . 1 . . . . 46 ALA H . 10249 1 552 . 1 1 46 46 ALA HA H 1 5.049 0.030 . 1 . . . . 46 ALA HA . 10249 1 553 . 1 1 46 46 ALA HB1 H 1 1.256 0.030 . 1 . . . . 46 ALA HB . 10249 1 554 . 1 1 46 46 ALA HB2 H 1 1.256 0.030 . 1 . . . . 46 ALA HB . 10249 1 555 . 1 1 46 46 ALA HB3 H 1 1.256 0.030 . 1 . . . . 46 ALA HB . 10249 1 556 . 1 1 46 46 ALA C C 13 175.499 0.300 . 1 . . . . 46 ALA C . 10249 1 557 . 1 1 46 46 ALA CA C 13 51.545 0.300 . 1 . . . . 46 ALA CA . 10249 1 558 . 1 1 46 46 ALA CB C 13 19.655 0.300 . 1 . . . . 46 ALA CB . 10249 1 559 . 1 1 46 46 ALA N N 15 122.969 0.300 . 1 . . . . 46 ALA N . 10249 1 560 . 1 1 47 47 TYR H H 1 8.047 0.030 . 1 . . . . 47 TYR H . 10249 1 561 . 1 1 47 47 TYR HA H 1 5.097 0.030 . 1 . . . . 47 TYR HA . 10249 1 562 . 1 1 47 47 TYR HB2 H 1 2.778 0.030 . 2 . . . . 47 TYR HB2 . 10249 1 563 . 1 1 47 47 TYR HB3 H 1 2.623 0.030 . 2 . . . . 47 TYR HB3 . 10249 1 564 . 1 1 47 47 TYR HD1 H 1 6.554 0.030 . 1 . . . . 47 TYR HD1 . 10249 1 565 . 1 1 47 47 TYR HD2 H 1 6.554 0.030 . 1 . . . . 47 TYR HD2 . 10249 1 566 . 1 1 47 47 TYR HE1 H 1 6.454 0.030 . 1 . . . . 47 TYR HE1 . 10249 1 567 . 1 1 47 47 TYR HE2 H 1 6.454 0.030 . 1 . . . . 47 TYR HE2 . 10249 1 568 . 1 1 47 47 TYR C C 13 173.730 0.300 . 1 . . . . 47 TYR C . 10249 1 569 . 1 1 47 47 TYR CA C 13 57.563 0.300 . 1 . . . . 47 TYR CA . 10249 1 570 . 1 1 47 47 TYR CB C 13 45.711 0.300 . 1 . . . . 47 TYR CB . 10249 1 571 . 1 1 47 47 TYR CD1 C 13 132.469 0.300 . 1 . . . . 47 TYR CD1 . 10249 1 572 . 1 1 47 47 TYR CD2 C 13 132.469 0.300 . 1 . . . . 47 TYR CD2 . 10249 1 573 . 1 1 47 47 TYR CE1 C 13 117.412 0.300 . 1 . . . . 47 TYR CE1 . 10249 1 574 . 1 1 47 47 TYR CE2 C 13 117.412 0.300 . 1 . . . . 47 TYR CE2 . 10249 1 575 . 1 1 47 47 TYR N N 15 126.550 0.300 . 1 . . . . 47 TYR N . 10249 1 576 . 1 1 48 48 LEU H H 1 8.776 0.030 . 1 . . . . 48 LEU H . 10249 1 577 . 1 1 48 48 LEU HA H 1 5.578 0.030 . 1 . . . . 48 LEU HA . 10249 1 578 . 1 1 48 48 LEU HB2 H 1 1.984 0.030 . 2 . . . . 48 LEU HB2 . 10249 1 579 . 1 1 48 48 LEU HB3 H 1 1.464 0.030 . 2 . . . . 48 LEU HB3 . 10249 1 580 . 1 1 48 48 LEU HD11 H 1 0.826 0.030 . 1 . . . . 48 LEU HD1 . 10249 1 581 . 1 1 48 48 LEU HD12 H 1 0.826 0.030 . 1 . . . . 48 LEU HD1 . 10249 1 582 . 1 1 48 48 LEU HD13 H 1 0.826 0.030 . 1 . . . . 48 LEU HD1 . 10249 1 583 . 1 1 48 48 LEU HD21 H 1 1.195 0.030 . 1 . . . . 48 LEU HD2 . 10249 1 584 . 1 1 48 48 LEU HD22 H 1 1.195 0.030 . 1 . . . . 48 LEU HD2 . 10249 1 585 . 1 1 48 48 LEU HD23 H 1 1.195 0.030 . 1 . . . . 48 LEU HD2 . 10249 1 586 . 1 1 48 48 LEU HG H 1 1.724 0.030 . 1 . . . . 48 LEU HG . 10249 1 587 . 1 1 48 48 LEU C C 13 175.039 0.300 . 1 . . . . 48 LEU C . 10249 1 588 . 1 1 48 48 LEU CA C 13 53.134 0.300 . 1 . . . . 48 LEU CA . 10249 1 589 . 1 1 48 48 LEU CB C 13 46.369 0.300 . 1 . . . . 48 LEU CB . 10249 1 590 . 1 1 48 48 LEU CD1 C 13 26.154 0.300 . 2 . . . . 48 LEU CD1 . 10249 1 591 . 1 1 48 48 LEU CD2 C 13 25.619 0.300 . 2 . . . . 48 LEU CD2 . 10249 1 592 . 1 1 48 48 LEU CG C 13 27.264 0.300 . 1 . . . . 48 LEU CG . 10249 1 593 . 1 1 48 48 LEU N N 15 120.864 0.300 . 1 . . . . 48 LEU N . 10249 1 594 . 1 1 49 49 HIS H H 1 8.974 0.030 . 1 . . . . 49 HIS H . 10249 1 595 . 1 1 49 49 HIS HA H 1 5.181 0.030 . 1 . . . . 49 HIS HA . 10249 1 596 . 1 1 49 49 HIS HB2 H 1 3.121 0.030 . 2 . . . . 49 HIS HB2 . 10249 1 597 . 1 1 49 49 HIS HB3 H 1 2.857 0.030 . 2 . . . . 49 HIS HB3 . 10249 1 598 . 1 1 49 49 HIS HD2 H 1 6.711 0.030 . 1 . . . . 49 HIS HD2 . 10249 1 599 . 1 1 49 49 HIS HE1 H 1 6.808 0.030 . 1 . . . . 49 HIS HE1 . 10249 1 600 . 1 1 49 49 HIS C C 13 174.712 0.300 . 1 . . . . 49 HIS C . 10249 1 601 . 1 1 49 49 HIS CA C 13 57.916 0.300 . 1 . . . . 49 HIS CA . 10249 1 602 . 1 1 49 49 HIS CB C 13 35.347 0.300 . 1 . . . . 49 HIS CB . 10249 1 603 . 1 1 49 49 HIS CD2 C 13 116.865 0.300 . 1 . . . . 49 HIS CD2 . 10249 1 604 . 1 1 49 49 HIS CE1 C 13 137.599 0.300 . 1 . . . . 49 HIS CE1 . 10249 1 605 . 1 1 49 49 HIS N N 15 124.417 0.300 . 1 . . . . 49 HIS N . 10249 1 606 . 1 1 50 50 TYR H H 1 7.348 0.030 . 1 . . . . 50 TYR H . 10249 1 607 . 1 1 50 50 TYR HA H 1 5.909 0.030 . 1 . . . . 50 TYR HA . 10249 1 608 . 1 1 50 50 TYR HB2 H 1 1.664 0.030 . 1 . . . . 50 TYR HB2 . 10249 1 609 . 1 1 50 50 TYR HB3 H 1 1.664 0.030 . 1 . . . . 50 TYR HB3 . 10249 1 610 . 1 1 50 50 TYR HD1 H 1 6.394 0.030 . 1 . . . . 50 TYR HD1 . 10249 1 611 . 1 1 50 50 TYR HD2 H 1 6.394 0.030 . 1 . . . . 50 TYR HD2 . 10249 1 612 . 1 1 50 50 TYR HE1 H 1 6.565 0.030 . 1 . . . . 50 TYR HE1 . 10249 1 613 . 1 1 50 50 TYR HE2 H 1 6.565 0.030 . 1 . . . . 50 TYR HE2 . 10249 1 614 . 1 1 50 50 TYR C C 13 174.239 0.300 . 1 . . . . 50 TYR C . 10249 1 615 . 1 1 50 50 TYR CA C 13 53.610 0.300 . 1 . . . . 50 TYR CA . 10249 1 616 . 1 1 50 50 TYR CB C 13 40.077 0.300 . 1 . . . . 50 TYR CB . 10249 1 617 . 1 1 50 50 TYR CD1 C 13 133.438 0.300 . 1 . . . . 50 TYR CD1 . 10249 1 618 . 1 1 50 50 TYR CD2 C 13 133.438 0.300 . 1 . . . . 50 TYR CD2 . 10249 1 619 . 1 1 50 50 TYR CE1 C 13 117.622 0.300 . 1 . . . . 50 TYR CE1 . 10249 1 620 . 1 1 50 50 TYR CE2 C 13 117.622 0.300 . 1 . . . . 50 TYR CE2 . 10249 1 621 . 1 1 50 50 TYR N N 15 114.323 0.300 . 1 . . . . 50 TYR N . 10249 1 622 . 1 1 51 51 TYR H H 1 9.230 0.030 . 1 . . . . 51 TYR H . 10249 1 623 . 1 1 51 51 TYR HA H 1 4.555 0.030 . 1 . . . . 51 TYR HA . 10249 1 624 . 1 1 51 51 TYR HB2 H 1 3.134 0.030 . 2 . . . . 51 TYR HB2 . 10249 1 625 . 1 1 51 51 TYR HB3 H 1 2.540 0.030 . 2 . . . . 51 TYR HB3 . 10249 1 626 . 1 1 51 51 TYR HD1 H 1 6.980 0.030 . 1 . . . . 51 TYR HD1 . 10249 1 627 . 1 1 51 51 TYR HD2 H 1 6.980 0.030 . 1 . . . . 51 TYR HD2 . 10249 1 628 . 1 1 51 51 TYR HE1 H 1 6.589 0.030 . 1 . . . . 51 TYR HE1 . 10249 1 629 . 1 1 51 51 TYR HE2 H 1 6.589 0.030 . 1 . . . . 51 TYR HE2 . 10249 1 630 . 1 1 51 51 TYR C C 13 175.572 0.300 . 1 . . . . 51 TYR C . 10249 1 631 . 1 1 51 51 TYR CA C 13 57.175 0.300 . 1 . . . . 51 TYR CA . 10249 1 632 . 1 1 51 51 TYR CB C 13 42.709 0.300 . 1 . . . . 51 TYR CB . 10249 1 633 . 1 1 51 51 TYR CD1 C 13 133.276 0.300 . 1 . . . . 51 TYR CD1 . 10249 1 634 . 1 1 51 51 TYR CD2 C 13 133.276 0.300 . 1 . . . . 51 TYR CD2 . 10249 1 635 . 1 1 51 51 TYR CE1 C 13 118.494 0.300 . 1 . . . . 51 TYR CE1 . 10249 1 636 . 1 1 51 51 TYR CE2 C 13 118.494 0.300 . 1 . . . . 51 TYR CE2 . 10249 1 637 . 1 1 51 51 TYR N N 15 117.695 0.300 . 1 . . . . 51 TYR N . 10249 1 638 . 1 1 52 52 ASP H H 1 9.390 0.030 . 1 . . . . 52 ASP H . 10249 1 639 . 1 1 52 52 ASP HA H 1 4.937 0.030 . 1 . . . . 52 ASP HA . 10249 1 640 . 1 1 52 52 ASP HB2 H 1 2.965 0.030 . 2 . . . . 52 ASP HB2 . 10249 1 641 . 1 1 52 52 ASP HB3 H 1 2.681 0.030 . 2 . . . . 52 ASP HB3 . 10249 1 642 . 1 1 52 52 ASP CA C 13 52.057 0.300 . 1 . . . . 52 ASP CA . 10249 1 643 . 1 1 52 52 ASP CB C 13 42.197 0.300 . 1 . . . . 52 ASP CB . 10249 1 644 . 1 1 52 52 ASP N N 15 123.964 0.300 . 1 . . . . 52 ASP N . 10249 1 645 . 1 1 53 53 PRO HA H 1 4.274 0.030 . 1 . . . . 53 PRO HA . 10249 1 646 . 1 1 53 53 PRO HB2 H 1 2.285 0.030 . 2 . . . . 53 PRO HB2 . 10249 1 647 . 1 1 53 53 PRO HB3 H 1 2.093 0.030 . 2 . . . . 53 PRO HB3 . 10249 1 648 . 1 1 53 53 PRO HD2 H 1 4.125 0.030 . 2 . . . . 53 PRO HD2 . 10249 1 649 . 1 1 53 53 PRO HD3 H 1 4.283 0.030 . 2 . . . . 53 PRO HD3 . 10249 1 650 . 1 1 53 53 PRO HG2 H 1 1.911 0.030 . 2 . . . . 53 PRO HG2 . 10249 1 651 . 1 1 53 53 PRO HG3 H 1 2.107 0.030 . 2 . . . . 53 PRO HG3 . 10249 1 652 . 1 1 53 53 PRO C C 13 176.360 0.300 . 1 . . . . 53 PRO C . 10249 1 653 . 1 1 53 53 PRO CA C 13 64.728 0.300 . 1 . . . . 53 PRO CA . 10249 1 654 . 1 1 53 53 PRO CB C 13 32.016 0.300 . 1 . . . . 53 PRO CB . 10249 1 655 . 1 1 53 53 PRO CD C 13 51.656 0.300 . 1 . . . . 53 PRO CD . 10249 1 656 . 1 1 53 53 PRO CG C 13 27.759 0.300 . 1 . . . . 53 PRO CG . 10249 1 657 . 1 1 54 54 ALA H H 1 8.384 0.030 . 1 . . . . 54 ALA H . 10249 1 658 . 1 1 54 54 ALA HA H 1 4.492 0.030 . 1 . . . . 54 ALA HA . 10249 1 659 . 1 1 54 54 ALA HB1 H 1 1.424 0.030 . 1 . . . . 54 ALA HB . 10249 1 660 . 1 1 54 54 ALA HB2 H 1 1.424 0.030 . 1 . . . . 54 ALA HB . 10249 1 661 . 1 1 54 54 ALA HB3 H 1 1.424 0.030 . 1 . . . . 54 ALA HB . 10249 1 662 . 1 1 54 54 ALA C C 13 177.620 0.300 . 1 . . . . 54 ALA C . 10249 1 663 . 1 1 54 54 ALA CA C 13 52.022 0.300 . 1 . . . . 54 ALA CA . 10249 1 664 . 1 1 54 54 ALA CB C 13 19.202 0.300 . 1 . . . . 54 ALA CB . 10249 1 665 . 1 1 54 54 ALA N N 15 120.140 0.300 . 1 . . . . 54 ALA N . 10249 1 666 . 1 1 55 55 GLY H H 1 7.710 0.030 . 1 . . . . 55 GLY H . 10249 1 667 . 1 1 55 55 GLY HA2 H 1 4.194 0.030 . 2 . . . . 55 GLY HA2 . 10249 1 668 . 1 1 55 55 GLY HA3 H 1 3.833 0.030 . 2 . . . . 55 GLY HA3 . 10249 1 669 . 1 1 55 55 GLY C C 13 173.524 0.300 . 1 . . . . 55 GLY C . 10249 1 670 . 1 1 55 55 GLY CA C 13 45.421 0.300 . 1 . . . . 55 GLY CA . 10249 1 671 . 1 1 55 55 GLY N N 15 107.828 0.300 . 1 . . . . 55 GLY N . 10249 1 672 . 1 1 56 56 ALA H H 1 8.339 0.030 . 1 . . . . 56 ALA H . 10249 1 673 . 1 1 56 56 ALA HA H 1 4.378 0.030 . 1 . . . . 56 ALA HA . 10249 1 674 . 1 1 56 56 ALA HB1 H 1 1.519 0.030 . 1 . . . . 56 ALA HB . 10249 1 675 . 1 1 56 56 ALA HB2 H 1 1.519 0.030 . 1 . . . . 56 ALA HB . 10249 1 676 . 1 1 56 56 ALA HB3 H 1 1.519 0.030 . 1 . . . . 56 ALA HB . 10249 1 677 . 1 1 56 56 ALA C C 13 177.741 0.300 . 1 . . . . 56 ALA C . 10249 1 678 . 1 1 56 56 ALA CA C 13 52.410 0.300 . 1 . . . . 56 ALA CA . 10249 1 679 . 1 1 56 56 ALA CB C 13 19.843 0.300 . 1 . . . . 56 ALA CB . 10249 1 680 . 1 1 56 56 ALA N N 15 125.269 0.300 . 1 . . . . 56 ALA N . 10249 1 681 . 1 1 57 57 GLU H H 1 8.567 0.030 . 1 . . . . 57 GLU H . 10249 1 682 . 1 1 57 57 GLU HA H 1 4.160 0.030 . 1 . . . . 57 GLU HA . 10249 1 683 . 1 1 57 57 GLU HB2 H 1 2.042 0.030 . 2 . . . . 57 GLU HB2 . 10249 1 684 . 1 1 57 57 GLU HB3 H 1 1.922 0.030 . 2 . . . . 57 GLU HB3 . 10249 1 685 . 1 1 57 57 GLU HG2 H 1 2.196 0.030 . 1 . . . . 57 GLU HG2 . 10249 1 686 . 1 1 57 57 GLU HG3 H 1 2.196 0.030 . 1 . . . . 57 GLU HG3 . 10249 1 687 . 1 1 57 57 GLU C C 13 176.335 0.300 . 1 . . . . 57 GLU C . 10249 1 688 . 1 1 57 57 GLU CA C 13 57.616 0.300 . 1 . . . . 57 GLU CA . 10249 1 689 . 1 1 57 57 GLU CB C 13 30.083 0.300 . 1 . . . . 57 GLU CB . 10249 1 690 . 1 1 57 57 GLU CG C 13 36.457 0.300 . 1 . . . . 57 GLU CG . 10249 1 691 . 1 1 57 57 GLU N N 15 119.341 0.300 . 1 . . . . 57 GLU N . 10249 1 692 . 1 1 58 58 ASP H H 1 7.718 0.030 . 1 . . . . 58 ASP H . 10249 1 693 . 1 1 58 58 ASP HA H 1 5.010 0.030 . 1 . . . . 58 ASP HA . 10249 1 694 . 1 1 58 58 ASP HB2 H 1 2.633 0.030 . 2 . . . . 58 ASP HB2 . 10249 1 695 . 1 1 58 58 ASP HB3 H 1 2.414 0.030 . 2 . . . . 58 ASP HB3 . 10249 1 696 . 1 1 58 58 ASP C C 13 173.209 0.300 . 1 . . . . 58 ASP C . 10249 1 697 . 1 1 58 58 ASP CA C 13 52.128 0.300 . 1 . . . . 58 ASP CA . 10249 1 698 . 1 1 58 58 ASP CB C 13 40.981 0.300 . 1 . . . . 58 ASP CB . 10249 1 699 . 1 1 58 58 ASP N N 15 118.499 0.300 . 1 . . . . 58 ASP N . 10249 1 700 . 1 1 59 59 PRO HA H 1 3.493 0.030 . 1 . . . . 59 PRO HA . 10249 1 701 . 1 1 59 59 PRO HB2 H 1 1.654 0.030 . 2 . . . . 59 PRO HB2 . 10249 1 702 . 1 1 59 59 PRO HB3 H 1 1.405 0.030 . 2 . . . . 59 PRO HB3 . 10249 1 703 . 1 1 59 59 PRO HD2 H 1 3.752 0.030 . 2 . . . . 59 PRO HD2 . 10249 1 704 . 1 1 59 59 PRO HD3 H 1 3.877 0.030 . 2 . . . . 59 PRO HD3 . 10249 1 705 . 1 1 59 59 PRO HG2 H 1 2.062 0.030 . 2 . . . . 59 PRO HG2 . 10249 1 706 . 1 1 59 59 PRO HG3 H 1 1.895 0.030 . 2 . . . . 59 PRO HG3 . 10249 1 707 . 1 1 59 59 PRO C C 13 177.111 0.300 . 1 . . . . 59 PRO C . 10249 1 708 . 1 1 59 59 PRO CA C 13 63.069 0.300 . 1 . . . . 59 PRO CA . 10249 1 709 . 1 1 59 59 PRO CB C 13 31.229 0.300 . 1 . . . . 59 PRO CB . 10249 1 710 . 1 1 59 59 PRO CD C 13 50.289 0.300 . 1 . . . . 59 PRO CD . 10249 1 711 . 1 1 59 59 PRO CG C 13 26.916 0.300 . 1 . . . . 59 PRO CG . 10249 1 712 . 1 1 60 60 LEU H H 1 8.770 0.030 . 1 . . . . 60 LEU H . 10249 1 713 . 1 1 60 60 LEU HA H 1 4.114 0.030 . 1 . . . . 60 LEU HA . 10249 1 714 . 1 1 60 60 LEU HB2 H 1 1.455 0.030 . 2 . . . . 60 LEU HB2 . 10249 1 715 . 1 1 60 60 LEU HB3 H 1 1.325 0.030 . 2 . . . . 60 LEU HB3 . 10249 1 716 . 1 1 60 60 LEU HD11 H 1 0.934 0.030 . 1 . . . . 60 LEU HD1 . 10249 1 717 . 1 1 60 60 LEU HD12 H 1 0.934 0.030 . 1 . . . . 60 LEU HD1 . 10249 1 718 . 1 1 60 60 LEU HD13 H 1 0.934 0.030 . 1 . . . . 60 LEU HD1 . 10249 1 719 . 1 1 60 60 LEU HD21 H 1 0.935 0.030 . 1 . . . . 60 LEU HD2 . 10249 1 720 . 1 1 60 60 LEU HD22 H 1 0.935 0.030 . 1 . . . . 60 LEU HD2 . 10249 1 721 . 1 1 60 60 LEU HD23 H 1 0.935 0.030 . 1 . . . . 60 LEU HD2 . 10249 1 722 . 1 1 60 60 LEU HG H 1 1.754 0.030 . 1 . . . . 60 LEU HG . 10249 1 723 . 1 1 60 60 LEU C C 13 177.268 0.300 . 1 . . . . 60 LEU C . 10249 1 724 . 1 1 60 60 LEU CA C 13 55.181 0.300 . 1 . . . . 60 LEU CA . 10249 1 725 . 1 1 60 60 LEU CB C 13 42.750 0.300 . 1 . . . . 60 LEU CB . 10249 1 726 . 1 1 60 60 LEU CD1 C 13 26.489 0.300 . 2 . . . . 60 LEU CD1 . 10249 1 727 . 1 1 60 60 LEU CD2 C 13 22.467 0.300 . 2 . . . . 60 LEU CD2 . 10249 1 728 . 1 1 60 60 LEU CG C 13 27.251 0.300 . 1 . . . . 60 LEU CG . 10249 1 729 . 1 1 60 60 LEU N N 15 121.907 0.300 . 1 . . . . 60 LEU N . 10249 1 730 . 1 1 61 61 GLY H H 1 6.472 0.030 . 1 . . . . 61 GLY H . 10249 1 731 . 1 1 61 61 GLY HA2 H 1 3.798 0.030 . 2 . . . . 61 GLY HA2 . 10249 1 732 . 1 1 61 61 GLY HA3 H 1 3.382 0.030 . 2 . . . . 61 GLY HA3 . 10249 1 733 . 1 1 61 61 GLY C C 13 169.367 0.300 . 1 . . . . 61 GLY C . 10249 1 734 . 1 1 61 61 GLY CA C 13 45.033 0.300 . 1 . . . . 61 GLY CA . 10249 1 735 . 1 1 61 61 GLY N N 15 103.740 0.300 . 1 . . . . 61 GLY N . 10249 1 736 . 1 1 62 62 ALA H H 1 8.024 0.030 . 1 . . . . 62 ALA H . 10249 1 737 . 1 1 62 62 ALA HA H 1 4.644 0.030 . 1 . . . . 62 ALA HA . 10249 1 738 . 1 1 62 62 ALA HB1 H 1 1.073 0.030 . 1 . . . . 62 ALA HB . 10249 1 739 . 1 1 62 62 ALA HB2 H 1 1.073 0.030 . 1 . . . . 62 ALA HB . 10249 1 740 . 1 1 62 62 ALA HB3 H 1 1.073 0.030 . 1 . . . . 62 ALA HB . 10249 1 741 . 1 1 62 62 ALA C C 13 176.226 0.300 . 1 . . . . 62 ALA C . 10249 1 742 . 1 1 62 62 ALA CA C 13 50.839 0.300 . 1 . . . . 62 ALA CA . 10249 1 743 . 1 1 62 62 ALA CB C 13 23.914 0.300 . 1 . . . . 62 ALA CB . 10249 1 744 . 1 1 62 62 ALA N N 15 120.249 0.300 . 1 . . . . 62 ALA N . 10249 1 745 . 1 1 63 63 ILE H H 1 8.810 0.030 . 1 . . . . 63 ILE H . 10249 1 746 . 1 1 63 63 ILE HA H 1 4.119 0.030 . 1 . . . . 63 ILE HA . 10249 1 747 . 1 1 63 63 ILE HB H 1 1.765 0.030 . 1 . . . . 63 ILE HB . 10249 1 748 . 1 1 63 63 ILE HD11 H 1 0.063 0.030 . 1 . . . . 63 ILE HD1 . 10249 1 749 . 1 1 63 63 ILE HD12 H 1 0.063 0.030 . 1 . . . . 63 ILE HD1 . 10249 1 750 . 1 1 63 63 ILE HD13 H 1 0.063 0.030 . 1 . . . . 63 ILE HD1 . 10249 1 751 . 1 1 63 63 ILE HG12 H 1 1.354 0.030 . 2 . . . . 63 ILE HG12 . 10249 1 752 . 1 1 63 63 ILE HG13 H 1 0.293 0.030 . 2 . . . . 63 ILE HG13 . 10249 1 753 . 1 1 63 63 ILE HG21 H 1 0.464 0.030 . 1 . . . . 63 ILE HG2 . 10249 1 754 . 1 1 63 63 ILE HG22 H 1 0.464 0.030 . 1 . . . . 63 ILE HG2 . 10249 1 755 . 1 1 63 63 ILE HG23 H 1 0.464 0.030 . 1 . . . . 63 ILE HG2 . 10249 1 756 . 1 1 63 63 ILE C C 13 174.724 0.300 . 1 . . . . 63 ILE C . 10249 1 757 . 1 1 63 63 ILE CA C 13 60.757 0.300 . 1 . . . . 63 ILE CA . 10249 1 758 . 1 1 63 63 ILE CB C 13 40.319 0.300 . 1 . . . . 63 ILE CB . 10249 1 759 . 1 1 63 63 ILE CD1 C 13 12.741 0.300 . 1 . . . . 63 ILE CD1 . 10249 1 760 . 1 1 63 63 ILE CG1 C 13 26.512 0.300 . 1 . . . . 63 ILE CG1 . 10249 1 761 . 1 1 63 63 ILE CG2 C 13 18.129 0.300 . 1 . . . . 63 ILE CG2 . 10249 1 762 . 1 1 63 63 ILE N N 15 122.110 0.300 . 1 . . . . 63 ILE N . 10249 1 763 . 1 1 64 64 HIS H H 1 9.073 0.030 . 1 . . . . 64 HIS H . 10249 1 764 . 1 1 64 64 HIS HA H 1 3.948 0.030 . 1 . . . . 64 HIS HA . 10249 1 765 . 1 1 64 64 HIS HB2 H 1 3.147 0.030 . 2 . . . . 64 HIS HB2 . 10249 1 766 . 1 1 64 64 HIS HB3 H 1 2.817 0.030 . 2 . . . . 64 HIS HB3 . 10249 1 767 . 1 1 64 64 HIS HD2 H 1 6.664 0.030 . 1 . . . . 64 HIS HD2 . 10249 1 768 . 1 1 64 64 HIS HE1 H 1 7.741 0.030 . 1 . . . . 64 HIS HE1 . 10249 1 769 . 1 1 64 64 HIS C C 13 176.529 0.300 . 1 . . . . 64 HIS C . 10249 1 770 . 1 1 64 64 HIS CA C 13 54.951 0.300 . 1 . . . . 64 HIS CA . 10249 1 771 . 1 1 64 64 HIS CB C 13 30.494 0.300 . 1 . . . . 64 HIS CB . 10249 1 772 . 1 1 64 64 HIS CD2 C 13 120.460 0.300 . 1 . . . . 64 HIS CD2 . 10249 1 773 . 1 1 64 64 HIS CE1 C 13 138.365 0.300 . 1 . . . . 64 HIS CE1 . 10249 1 774 . 1 1 64 64 HIS N N 15 129.092 0.300 . 1 . . . . 64 HIS N . 10249 1 775 . 1 1 65 65 LEU H H 1 7.770 0.030 . 1 . . . . 65 LEU H . 10249 1 776 . 1 1 65 65 LEU HA H 1 4.074 0.030 . 1 . . . . 65 LEU HA . 10249 1 777 . 1 1 65 65 LEU HB2 H 1 1.533 0.030 . 2 . . . . 65 LEU HB2 . 10249 1 778 . 1 1 65 65 LEU HB3 H 1 1.344 0.030 . 2 . . . . 65 LEU HB3 . 10249 1 779 . 1 1 65 65 LEU HD11 H 1 0.795 0.030 . 1 . . . . 65 LEU HD1 . 10249 1 780 . 1 1 65 65 LEU HD12 H 1 0.795 0.030 . 1 . . . . 65 LEU HD1 . 10249 1 781 . 1 1 65 65 LEU HD13 H 1 0.795 0.030 . 1 . . . . 65 LEU HD1 . 10249 1 782 . 1 1 65 65 LEU HD21 H 1 0.675 0.030 . 1 . . . . 65 LEU HD2 . 10249 1 783 . 1 1 65 65 LEU HD22 H 1 0.675 0.030 . 1 . . . . 65 LEU HD2 . 10249 1 784 . 1 1 65 65 LEU HD23 H 1 0.675 0.030 . 1 . . . . 65 LEU HD2 . 10249 1 785 . 1 1 65 65 LEU HG H 1 1.574 0.030 . 1 . . . . 65 LEU HG . 10249 1 786 . 1 1 65 65 LEU C C 13 176.808 0.300 . 1 . . . . 65 LEU C . 10249 1 787 . 1 1 65 65 LEU CA C 13 54.951 0.300 . 1 . . . . 65 LEU CA . 10249 1 788 . 1 1 65 65 LEU CB C 13 42.667 0.300 . 1 . . . . 65 LEU CB . 10249 1 789 . 1 1 65 65 LEU CD1 C 13 27.903 0.300 . 2 . . . . 65 LEU CD1 . 10249 1 790 . 1 1 65 65 LEU CD2 C 13 22.146 0.300 . 2 . . . . 65 LEU CD2 . 10249 1 791 . 1 1 65 65 LEU CG C 13 26.129 0.300 . 1 . . . . 65 LEU CG . 10249 1 792 . 1 1 65 65 LEU N N 15 124.760 0.300 . 1 . . . . 65 LEU N . 10249 1 793 . 1 1 66 66 ARG H H 1 6.515 0.030 . 1 . . . . 66 ARG H . 10249 1 794 . 1 1 66 66 ARG HA H 1 4.085 0.030 . 1 . . . . 66 ARG HA . 10249 1 795 . 1 1 66 66 ARG HB2 H 1 1.605 0.030 . 2 . . . . 66 ARG HB2 . 10249 1 796 . 1 1 66 66 ARG HB3 H 1 1.314 0.030 . 2 . . . . 66 ARG HB3 . 10249 1 797 . 1 1 66 66 ARG HD2 H 1 3.234 0.030 . 1 . . . . 66 ARG HD2 . 10249 1 798 . 1 1 66 66 ARG HD3 H 1 3.234 0.030 . 1 . . . . 66 ARG HD3 . 10249 1 799 . 1 1 66 66 ARG HG2 H 1 1.665 0.030 . 2 . . . . 66 ARG HG2 . 10249 1 800 . 1 1 66 66 ARG HG3 H 1 1.464 0.030 . 2 . . . . 66 ARG HG3 . 10249 1 801 . 1 1 66 66 ARG C C 13 178.638 0.300 . 1 . . . . 66 ARG C . 10249 1 802 . 1 1 66 66 ARG CA C 13 58.092 0.300 . 1 . . . . 66 ARG CA . 10249 1 803 . 1 1 66 66 ARG CB C 13 29.525 0.300 . 1 . . . . 66 ARG CB . 10249 1 804 . 1 1 66 66 ARG CD C 13 43.531 0.300 . 1 . . . . 66 ARG CD . 10249 1 805 . 1 1 66 66 ARG CG C 13 26.752 0.300 . 1 . . . . 66 ARG CG . 10249 1 806 . 1 1 66 66 ARG N N 15 120.462 0.300 . 1 . . . . 66 ARG N . 10249 1 807 . 1 1 67 67 GLY H H 1 9.300 0.030 . 1 . . . . 67 GLY H . 10249 1 808 . 1 1 67 67 GLY HA2 H 1 4.045 0.030 . 2 . . . . 67 GLY HA2 . 10249 1 809 . 1 1 67 67 GLY HA3 H 1 3.826 0.030 . 2 . . . . 67 GLY HA3 . 10249 1 810 . 1 1 67 67 GLY C C 13 173.996 0.300 . 1 . . . . 67 GLY C . 10249 1 811 . 1 1 67 67 GLY CA C 13 46.162 0.300 . 1 . . . . 67 GLY CA . 10249 1 812 . 1 1 67 67 GLY N N 15 118.040 0.300 . 1 . . . . 67 GLY N . 10249 1 813 . 1 1 68 68 CYS H H 1 7.789 0.030 . 1 . . . . 68 CYS H . 10249 1 814 . 1 1 68 68 CYS HA H 1 4.779 0.030 . 1 . . . . 68 CYS HA . 10249 1 815 . 1 1 68 68 CYS HB2 H 1 2.829 0.030 . 1 . . . . 68 CYS HB2 . 10249 1 816 . 1 1 68 68 CYS HB3 H 1 2.829 0.030 . 1 . . . . 68 CYS HB3 . 10249 1 817 . 1 1 68 68 CYS C C 13 173.148 0.300 . 1 . . . . 68 CYS C . 10249 1 818 . 1 1 68 68 CYS CA C 13 57.545 0.300 . 1 . . . . 68 CYS CA . 10249 1 819 . 1 1 68 68 CYS CB C 13 28.644 0.300 . 1 . . . . 68 CYS CB . 10249 1 820 . 1 1 68 68 CYS N N 15 116.032 0.300 . 1 . . . . 68 CYS N . 10249 1 821 . 1 1 69 69 VAL H H 1 8.665 0.030 . 1 . . . . 69 VAL H . 10249 1 822 . 1 1 69 69 VAL HA H 1 4.364 0.030 . 1 . . . . 69 VAL HA . 10249 1 823 . 1 1 69 69 VAL HB H 1 1.844 0.030 . 1 . . . . 69 VAL HB . 10249 1 824 . 1 1 69 69 VAL HG11 H 1 0.916 0.030 . 1 . . . . 69 VAL HG1 . 10249 1 825 . 1 1 69 69 VAL HG12 H 1 0.916 0.030 . 1 . . . . 69 VAL HG1 . 10249 1 826 . 1 1 69 69 VAL HG13 H 1 0.916 0.030 . 1 . . . . 69 VAL HG1 . 10249 1 827 . 1 1 69 69 VAL HG21 H 1 0.874 0.030 . 1 . . . . 69 VAL HG2 . 10249 1 828 . 1 1 69 69 VAL HG22 H 1 0.874 0.030 . 1 . . . . 69 VAL HG2 . 10249 1 829 . 1 1 69 69 VAL HG23 H 1 0.874 0.030 . 1 . . . . 69 VAL HG2 . 10249 1 830 . 1 1 69 69 VAL C C 13 174.154 0.300 . 1 . . . . 69 VAL C . 10249 1 831 . 1 1 69 69 VAL CA C 13 61.464 0.300 . 1 . . . . 69 VAL CA . 10249 1 832 . 1 1 69 69 VAL CB C 13 35.041 0.300 . 1 . . . . 69 VAL CB . 10249 1 833 . 1 1 69 69 VAL CG1 C 13 21.339 0.300 . 2 . . . . 69 VAL CG1 . 10249 1 834 . 1 1 69 69 VAL CG2 C 13 21.073 0.300 . 2 . . . . 69 VAL CG2 . 10249 1 835 . 1 1 69 69 VAL N N 15 120.327 0.300 . 1 . . . . 69 VAL N . 10249 1 836 . 1 1 70 70 VAL H H 1 8.656 0.030 . 1 . . . . 70 VAL H . 10249 1 837 . 1 1 70 70 VAL HA H 1 5.543 0.030 . 1 . . . . 70 VAL HA . 10249 1 838 . 1 1 70 70 VAL HB H 1 1.934 0.030 . 1 . . . . 70 VAL HB . 10249 1 839 . 1 1 70 70 VAL HG11 H 1 1.024 0.030 . 1 . . . . 70 VAL HG1 . 10249 1 840 . 1 1 70 70 VAL HG12 H 1 1.024 0.030 . 1 . . . . 70 VAL HG1 . 10249 1 841 . 1 1 70 70 VAL HG13 H 1 1.024 0.030 . 1 . . . . 70 VAL HG1 . 10249 1 842 . 1 1 70 70 VAL HG21 H 1 1.075 0.030 . 1 . . . . 70 VAL HG2 . 10249 1 843 . 1 1 70 70 VAL HG22 H 1 1.075 0.030 . 1 . . . . 70 VAL HG2 . 10249 1 844 . 1 1 70 70 VAL HG23 H 1 1.075 0.030 . 1 . . . . 70 VAL HG2 . 10249 1 845 . 1 1 70 70 VAL C C 13 174.105 0.300 . 1 . . . . 70 VAL C . 10249 1 846 . 1 1 70 70 VAL CA C 13 59.028 0.300 . 1 . . . . 70 VAL CA . 10249 1 847 . 1 1 70 70 VAL CB C 13 34.237 0.300 . 1 . . . . 70 VAL CB . 10249 1 848 . 1 1 70 70 VAL CG1 C 13 22.945 0.300 . 2 . . . . 70 VAL CG1 . 10249 1 849 . 1 1 70 70 VAL CG2 C 13 21.319 0.300 . 2 . . . . 70 VAL CG2 . 10249 1 850 . 1 1 70 70 VAL N N 15 124.719 0.300 . 1 . . . . 70 VAL N . 10249 1 851 . 1 1 71 71 THR H H 1 8.883 0.030 . 1 . . . . 71 THR H . 10249 1 852 . 1 1 71 71 THR HA H 1 4.724 0.030 . 1 . . . . 71 THR HA . 10249 1 853 . 1 1 71 71 THR HB H 1 4.015 0.030 . 1 . . . . 71 THR HB . 10249 1 854 . 1 1 71 71 THR HG21 H 1 1.181 0.030 . 1 . . . . 71 THR HG2 . 10249 1 855 . 1 1 71 71 THR HG22 H 1 1.181 0.030 . 1 . . . . 71 THR HG2 . 10249 1 856 . 1 1 71 71 THR HG23 H 1 1.181 0.030 . 1 . . . . 71 THR HG2 . 10249 1 857 . 1 1 71 71 THR C C 13 173.087 0.300 . 1 . . . . 71 THR C . 10249 1 858 . 1 1 71 71 THR CA C 13 59.875 0.300 . 1 . . . . 71 THR CA . 10249 1 859 . 1 1 71 71 THR CB C 13 71.290 0.300 . 1 . . . . 71 THR CB . 10249 1 860 . 1 1 71 71 THR CG2 C 13 20.794 0.300 . 1 . . . . 71 THR CG2 . 10249 1 861 . 1 1 71 71 THR N N 15 120.107 0.300 . 1 . . . . 71 THR N . 10249 1 862 . 1 1 72 72 SER H H 1 8.706 0.030 . 1 . . . . 72 SER H . 10249 1 863 . 1 1 72 72 SER HA H 1 4.455 0.030 . 1 . . . . 72 SER HA . 10249 1 864 . 1 1 72 72 SER HB2 H 1 3.796 0.030 . 2 . . . . 72 SER HB2 . 10249 1 865 . 1 1 72 72 SER HB3 H 1 3.745 0.030 . 2 . . . . 72 SER HB3 . 10249 1 866 . 1 1 72 72 SER C C 13 174.082 0.300 . 1 . . . . 72 SER C . 10249 1 867 . 1 1 72 72 SER CA C 13 59.204 0.300 . 1 . . . . 72 SER CA . 10249 1 868 . 1 1 72 72 SER CB C 13 63.476 0.300 . 1 . . . . 72 SER CB . 10249 1 869 . 1 1 72 72 SER N N 15 120.128 0.300 . 1 . . . . 72 SER N . 10249 1 870 . 1 1 73 73 VAL H H 1 7.825 0.030 . 1 . . . . 73 VAL H . 10249 1 871 . 1 1 73 73 VAL HA H 1 4.302 0.030 . 1 . . . . 73 VAL HA . 10249 1 872 . 1 1 73 73 VAL HB H 1 1.885 0.030 . 1 . . . . 73 VAL HB . 10249 1 873 . 1 1 73 73 VAL HG11 H 1 1.004 0.030 . 1 . . . . 73 VAL HG1 . 10249 1 874 . 1 1 73 73 VAL HG12 H 1 1.004 0.030 . 1 . . . . 73 VAL HG1 . 10249 1 875 . 1 1 73 73 VAL HG13 H 1 1.004 0.030 . 1 . . . . 73 VAL HG1 . 10249 1 876 . 1 1 73 73 VAL HG21 H 1 1.004 0.030 . 1 . . . . 73 VAL HG2 . 10249 1 877 . 1 1 73 73 VAL HG22 H 1 1.004 0.030 . 1 . . . . 73 VAL HG2 . 10249 1 878 . 1 1 73 73 VAL HG23 H 1 1.004 0.030 . 1 . . . . 73 VAL HG2 . 10249 1 879 . 1 1 73 73 VAL C C 13 175.160 0.300 . 1 . . . . 73 VAL C . 10249 1 880 . 1 1 73 73 VAL CA C 13 62.010 0.300 . 1 . . . . 73 VAL CA . 10249 1 881 . 1 1 73 73 VAL CB C 13 33.579 0.300 . 1 . . . . 73 VAL CB . 10249 1 882 . 1 1 73 73 VAL CG1 C 13 21.339 0.300 . 2 . . . . 73 VAL CG1 . 10249 1 883 . 1 1 73 73 VAL CG2 C 13 21.339 0.300 . 2 . . . . 73 VAL CG2 . 10249 1 884 . 1 1 73 73 VAL N N 15 125.377 0.300 . 1 . . . . 73 VAL N . 10249 1 885 . 1 1 74 74 GLU H H 1 8.706 0.030 . 1 . . . . 74 GLU H . 10249 1 886 . 1 1 74 74 GLU HA H 1 4.544 0.030 . 1 . . . . 74 GLU HA . 10249 1 887 . 1 1 74 74 GLU HB2 H 1 2.115 0.030 . 2 . . . . 74 GLU HB2 . 10249 1 888 . 1 1 74 74 GLU HB3 H 1 1.893 0.030 . 2 . . . . 74 GLU HB3 . 10249 1 889 . 1 1 74 74 GLU HG2 H 1 2.329 0.030 . 2 . . . . 74 GLU HG2 . 10249 1 890 . 1 1 74 74 GLU HG3 H 1 2.264 0.030 . 2 . . . . 74 GLU HG3 . 10249 1 891 . 1 1 74 74 GLU C C 13 176.420 0.300 . 1 . . . . 74 GLU C . 10249 1 892 . 1 1 74 74 GLU CA C 13 55.622 0.300 . 1 . . . . 74 GLU CA . 10249 1 893 . 1 1 74 74 GLU CB C 13 30.741 0.300 . 1 . . . . 74 GLU CB . 10249 1 894 . 1 1 74 74 GLU CG C 13 36.047 0.300 . 1 . . . . 74 GLU CG . 10249 1 895 . 1 1 74 74 GLU N N 15 126.564 0.300 . 1 . . . . 74 GLU N . 10249 1 896 . 1 1 75 75 SER H H 1 8.639 0.030 . 1 . . . . 75 SER H . 10249 1 897 . 1 1 75 75 SER HA H 1 4.447 0.030 . 1 . . . . 75 SER HA . 10249 1 898 . 1 1 75 75 SER HB2 H 1 3.864 0.030 . 1 . . . . 75 SER HB2 . 10249 1 899 . 1 1 75 75 SER HB3 H 1 3.864 0.030 . 1 . . . . 75 SER HB3 . 10249 1 900 . 1 1 75 75 SER C C 13 174.299 0.300 . 1 . . . . 75 SER C . 10249 1 901 . 1 1 75 75 SER CA C 13 58.339 0.300 . 1 . . . . 75 SER CA . 10249 1 902 . 1 1 75 75 SER CB C 13 64.170 0.300 . 1 . . . . 75 SER CB . 10249 1 903 . 1 1 75 75 SER N N 15 117.961 0.300 . 1 . . . . 75 SER N . 10249 1 904 . 1 1 76 76 ASN H H 1 8.672 0.030 . 1 . . . . 76 ASN H . 10249 1 905 . 1 1 76 76 ASN HA H 1 4.795 0.030 . 1 . . . . 76 ASN HA . 10249 1 906 . 1 1 76 76 ASN HB2 H 1 2.835 0.030 . 1 . . . . 76 ASN HB2 . 10249 1 907 . 1 1 76 76 ASN HB3 H 1 2.835 0.030 . 1 . . . . 76 ASN HB3 . 10249 1 908 . 1 1 76 76 ASN HD21 H 1 7.611 0.030 . 2 . . . . 76 ASN HD21 . 10249 1 909 . 1 1 76 76 ASN HD22 H 1 6.916 0.030 . 2 . . . . 76 ASN HD22 . 10249 1 910 . 1 1 76 76 ASN C C 13 175.584 0.300 . 1 . . . . 76 ASN C . 10249 1 911 . 1 1 76 76 ASN CA C 13 53.292 0.300 . 1 . . . . 76 ASN CA . 10249 1 912 . 1 1 76 76 ASN CB C 13 39.089 0.300 . 1 . . . . 76 ASN CB . 10249 1 913 . 1 1 76 76 ASN N N 15 121.138 0.300 . 1 . . . . 76 ASN N . 10249 1 914 . 1 1 76 76 ASN ND2 N 15 112.972 0.300 . 1 . . . . 76 ASN ND2 . 10249 1 915 . 1 1 78 78 ASN HA H 1 4.635 0.030 . 1 . . . . 78 ASN HA . 10249 1 916 . 1 1 78 78 ASN HB2 H 1 2.775 0.030 . 2 . . . . 78 ASN HB2 . 10249 1 917 . 1 1 78 78 ASN HB3 H 1 2.885 0.030 . 2 . . . . 78 ASN HB3 . 10249 1 918 . 1 1 78 78 ASN HD21 H 1 6.913 0.030 . 2 . . . . 78 ASN HD21 . 10249 1 919 . 1 1 78 78 ASN HD22 H 1 7.580 0.030 . 2 . . . . 78 ASN HD22 . 10249 1 920 . 1 1 78 78 ASN C C 13 175.681 0.300 . 1 . . . . 78 ASN C . 10249 1 921 . 1 1 78 78 ASN CA C 13 53.610 0.300 . 1 . . . . 78 ASN CA . 10249 1 922 . 1 1 78 78 ASN CB C 13 38.496 0.300 . 1 . . . . 78 ASN CB . 10249 1 923 . 1 1 78 78 ASN ND2 N 15 112.784 0.300 . 1 . . . . 78 ASN ND2 . 10249 1 924 . 1 1 79 79 GLY H H 1 8.356 0.030 . 1 . . . . 79 GLY H . 10249 1 925 . 1 1 79 79 GLY HA2 H 1 3.821 0.030 . 2 . . . . 79 GLY HA2 . 10249 1 926 . 1 1 79 79 GLY HA3 H 1 4.011 0.030 . 2 . . . . 79 GLY HA3 . 10249 1 927 . 1 1 79 79 GLY C C 13 174.154 0.300 . 1 . . . . 79 GLY C . 10249 1 928 . 1 1 79 79 GLY CA C 13 45.563 0.300 . 1 . . . . 79 GLY CA . 10249 1 929 . 1 1 79 79 GLY N N 15 108.284 0.300 . 1 . . . . 79 GLY N . 10249 1 930 . 1 1 80 80 ARG H H 1 7.919 0.030 . 1 . . . . 80 ARG H . 10249 1 931 . 1 1 80 80 ARG HA H 1 4.344 0.030 . 1 . . . . 80 ARG HA . 10249 1 932 . 1 1 80 80 ARG HB2 H 1 1.842 0.030 . 2 . . . . 80 ARG HB2 . 10249 1 933 . 1 1 80 80 ARG HB3 H 1 1.757 0.030 . 2 . . . . 80 ARG HB3 . 10249 1 934 . 1 1 80 80 ARG HD2 H 1 3.173 0.030 . 1 . . . . 80 ARG HD2 . 10249 1 935 . 1 1 80 80 ARG HD3 H 1 3.173 0.030 . 1 . . . . 80 ARG HD3 . 10249 1 936 . 1 1 80 80 ARG HG2 H 1 1.583 0.030 . 1 . . . . 80 ARG HG2 . 10249 1 937 . 1 1 80 80 ARG HG3 H 1 1.583 0.030 . 1 . . . . 80 ARG HG3 . 10249 1 938 . 1 1 80 80 ARG C C 13 176.117 0.300 . 1 . . . . 80 ARG C . 10249 1 939 . 1 1 80 80 ARG CA C 13 55.905 0.300 . 1 . . . . 80 ARG CA . 10249 1 940 . 1 1 80 80 ARG CB C 13 30.782 0.300 . 1 . . . . 80 ARG CB . 10249 1 941 . 1 1 80 80 ARG CD C 13 43.484 0.300 . 1 . . . . 80 ARG CD . 10249 1 942 . 1 1 80 80 ARG CG C 13 27.181 0.300 . 1 . . . . 80 ARG CG . 10249 1 943 . 1 1 80 80 ARG N N 15 120.470 0.300 . 1 . . . . 80 ARG N . 10249 1 944 . 1 1 81 81 LYS H H 1 8.427 0.030 . 1 . . . . 81 LYS H . 10249 1 945 . 1 1 81 81 LYS HA H 1 4.350 0.030 . 1 . . . . 81 LYS HA . 10249 1 946 . 1 1 81 81 LYS HB2 H 1 1.741 0.030 . 2 . . . . 81 LYS HB2 . 10249 1 947 . 1 1 81 81 LYS HB3 H 1 1.834 0.030 . 2 . . . . 81 LYS HB3 . 10249 1 948 . 1 1 81 81 LYS HD2 H 1 1.695 0.030 . 1 . . . . 81 LYS HD2 . 10249 1 949 . 1 1 81 81 LYS HD3 H 1 1.695 0.030 . 1 . . . . 81 LYS HD3 . 10249 1 950 . 1 1 81 81 LYS HE2 H 1 2.981 0.030 . 1 . . . . 81 LYS HE2 . 10249 1 951 . 1 1 81 81 LYS HE3 H 1 2.981 0.030 . 1 . . . . 81 LYS HE3 . 10249 1 952 . 1 1 81 81 LYS HG2 H 1 1.404 0.030 . 1 . . . . 81 LYS HG2 . 10249 1 953 . 1 1 81 81 LYS HG3 H 1 1.404 0.030 . 1 . . . . 81 LYS HG3 . 10249 1 954 . 1 1 81 81 LYS C C 13 176.808 0.300 . 1 . . . . 81 LYS C . 10249 1 955 . 1 1 81 81 LYS CA C 13 56.416 0.300 . 1 . . . . 81 LYS CA . 10249 1 956 . 1 1 81 81 LYS CB C 13 32.797 0.300 . 1 . . . . 81 LYS CB . 10249 1 957 . 1 1 81 81 LYS CD C 13 29.055 0.300 . 1 . . . . 81 LYS CD . 10249 1 958 . 1 1 81 81 LYS CE C 13 42.297 0.300 . 1 . . . . 81 LYS CE . 10249 1 959 . 1 1 81 81 LYS CG C 13 24.613 0.300 . 1 . . . . 81 LYS CG . 10249 1 960 . 1 1 81 81 LYS N N 15 122.963 0.300 . 1 . . . . 81 LYS N . 10249 1 961 . 1 1 82 82 SER H H 1 8.440 0.030 . 1 . . . . 82 SER H . 10249 1 962 . 1 1 82 82 SER HA H 1 4.380 0.030 . 1 . . . . 82 SER HA . 10249 1 963 . 1 1 82 82 SER HB2 H 1 3.824 0.030 . 2 . . . . 82 SER HB2 . 10249 1 964 . 1 1 82 82 SER HB3 H 1 3.887 0.030 . 2 . . . . 82 SER HB3 . 10249 1 965 . 1 1 82 82 SER C C 13 174.833 0.300 . 1 . . . . 82 SER C . 10249 1 966 . 1 1 82 82 SER CA C 13 58.763 0.300 . 1 . . . . 82 SER CA . 10249 1 967 . 1 1 82 82 SER CB C 13 63.723 0.300 . 1 . . . . 82 SER CB . 10249 1 968 . 1 1 82 82 SER N N 15 118.053 0.300 . 1 . . . . 82 SER N . 10249 1 969 . 1 1 83 83 GLU H H 1 8.648 0.030 . 1 . . . . 83 GLU H . 10249 1 970 . 1 1 83 83 GLU HA H 1 4.233 0.030 . 1 . . . . 83 GLU HA . 10249 1 971 . 1 1 83 83 GLU HB2 H 1 2.066 0.030 . 2 . . . . 83 GLU HB2 . 10249 1 972 . 1 1 83 83 GLU HB3 H 1 1.895 0.030 . 2 . . . . 83 GLU HB3 . 10249 1 973 . 1 1 83 83 GLU HG2 H 1 2.225 0.030 . 1 . . . . 83 GLU HG2 . 10249 1 974 . 1 1 83 83 GLU HG3 H 1 2.225 0.030 . 1 . . . . 83 GLU HG3 . 10249 1 975 . 1 1 83 83 GLU C C 13 176.311 0.300 . 1 . . . . 83 GLU C . 10249 1 976 . 1 1 83 83 GLU CA C 13 57.104 0.300 . 1 . . . . 83 GLU CA . 10249 1 977 . 1 1 83 83 GLU CB C 13 29.795 0.300 . 1 . . . . 83 GLU CB . 10249 1 978 . 1 1 83 83 GLU CG C 13 36.314 0.300 . 1 . . . . 83 GLU CG . 10249 1 979 . 1 1 83 83 GLU N N 15 121.793 0.300 . 1 . . . . 83 GLU N . 10249 1 980 . 1 1 84 84 GLU H H 1 8.088 0.030 . 1 . . . . 84 GLU H . 10249 1 981 . 1 1 84 84 GLU HA H 1 4.161 0.030 . 1 . . . . 84 GLU HA . 10249 1 982 . 1 1 84 84 GLU HB2 H 1 1.851 0.030 . 2 . . . . 84 GLU HB2 . 10249 1 983 . 1 1 84 84 GLU HB3 H 1 1.805 0.030 . 2 . . . . 84 GLU HB3 . 10249 1 984 . 1 1 84 84 GLU HG2 H 1 2.103 0.030 . 1 . . . . 84 GLU HG2 . 10249 1 985 . 1 1 84 84 GLU HG3 H 1 2.103 0.030 . 1 . . . . 84 GLU HG3 . 10249 1 986 . 1 1 84 84 GLU C C 13 175.523 0.300 . 1 . . . . 84 GLU C . 10249 1 987 . 1 1 84 84 GLU CA C 13 56.275 0.300 . 1 . . . . 84 GLU CA . 10249 1 988 . 1 1 84 84 GLU CB C 13 30.165 0.300 . 1 . . . . 84 GLU CB . 10249 1 989 . 1 1 84 84 GLU CG C 13 36.375 0.300 . 1 . . . . 84 GLU CG . 10249 1 990 . 1 1 84 84 GLU N N 15 119.385 0.300 . 1 . . . . 84 GLU N . 10249 1 991 . 1 1 85 85 GLU H H 1 7.907 0.030 . 1 . . . . 85 GLU H . 10249 1 992 . 1 1 85 85 GLU HA H 1 4.350 0.030 . 1 . . . . 85 GLU HA . 10249 1 993 . 1 1 85 85 GLU HB2 H 1 1.884 0.030 . 2 . . . . 85 GLU HB2 . 10249 1 994 . 1 1 85 85 GLU HB3 H 1 1.768 0.030 . 2 . . . . 85 GLU HB3 . 10249 1 995 . 1 1 85 85 GLU HG2 H 1 2.103 0.030 . 2 . . . . 85 GLU HG2 . 10249 1 996 . 1 1 85 85 GLU HG3 H 1 2.174 0.030 . 2 . . . . 85 GLU HG3 . 10249 1 997 . 1 1 85 85 GLU C C 13 175.002 0.300 . 1 . . . . 85 GLU C . 10249 1 998 . 1 1 85 85 GLU CA C 13 55.569 0.300 . 1 . . . . 85 GLU CA . 10249 1 999 . 1 1 85 85 GLU CB C 13 32.098 0.300 . 1 . . . . 85 GLU CB . 10249 1 1000 . 1 1 85 85 GLU CG C 13 36.375 0.300 . 1 . . . . 85 GLU CG . 10249 1 1001 . 1 1 85 85 GLU N N 15 120.414 0.300 . 1 . . . . 85 GLU N . 10249 1 1002 . 1 1 86 86 ASN H H 1 8.569 0.030 . 1 . . . . 86 ASN H . 10249 1 1003 . 1 1 86 86 ASN HA H 1 4.225 0.030 . 1 . . . . 86 ASN HA . 10249 1 1004 . 1 1 86 86 ASN HB2 H 1 3.203 0.030 . 2 . . . . 86 ASN HB2 . 10249 1 1005 . 1 1 86 86 ASN HB3 H 1 2.152 0.030 . 2 . . . . 86 ASN HB3 . 10249 1 1006 . 1 1 86 86 ASN HD21 H 1 6.858 0.030 . 2 . . . . 86 ASN HD21 . 10249 1 1007 . 1 1 86 86 ASN HD22 H 1 6.654 0.030 . 2 . . . . 86 ASN HD22 . 10249 1 1008 . 1 1 86 86 ASN C C 13 175.147 0.300 . 1 . . . . 86 ASN C . 10249 1 1009 . 1 1 86 86 ASN CA C 13 54.068 0.300 . 1 . . . . 86 ASN CA . 10249 1 1010 . 1 1 86 86 ASN CB C 13 38.185 0.300 . 1 . . . . 86 ASN CB . 10249 1 1011 . 1 1 86 86 ASN N N 15 114.602 0.300 . 1 . . . . 86 ASN N . 10249 1 1012 . 1 1 86 86 ASN ND2 N 15 113.662 0.300 . 1 . . . . 86 ASN ND2 . 10249 1 1013 . 1 1 87 87 LEU H H 1 8.483 0.030 . 1 . . . . 87 LEU H . 10249 1 1014 . 1 1 87 87 LEU HA H 1 5.186 0.030 . 1 . . . . 87 LEU HA . 10249 1 1015 . 1 1 87 87 LEU HB2 H 1 1.808 0.030 . 2 . . . . 87 LEU HB2 . 10249 1 1016 . 1 1 87 87 LEU HB3 H 1 1.571 0.030 . 2 . . . . 87 LEU HB3 . 10249 1 1017 . 1 1 87 87 LEU HD11 H 1 0.874 0.030 . 1 . . . . 87 LEU HD1 . 10249 1 1018 . 1 1 87 87 LEU HD12 H 1 0.874 0.030 . 1 . . . . 87 LEU HD1 . 10249 1 1019 . 1 1 87 87 LEU HD13 H 1 0.874 0.030 . 1 . . . . 87 LEU HD1 . 10249 1 1020 . 1 1 87 87 LEU HD21 H 1 0.743 0.030 . 1 . . . . 87 LEU HD2 . 10249 1 1021 . 1 1 87 87 LEU HD22 H 1 0.743 0.030 . 1 . . . . 87 LEU HD2 . 10249 1 1022 . 1 1 87 87 LEU HD23 H 1 0.743 0.030 . 1 . . . . 87 LEU HD2 . 10249 1 1023 . 1 1 87 87 LEU HG H 1 1.524 0.030 . 1 . . . . 87 LEU HG . 10249 1 1024 . 1 1 87 87 LEU C C 13 178.480 0.300 . 1 . . . . 87 LEU C . 10249 1 1025 . 1 1 87 87 LEU CA C 13 55.128 0.300 . 1 . . . . 87 LEU CA . 10249 1 1026 . 1 1 87 87 LEU CB C 13 44.559 0.300 . 1 . . . . 87 LEU CB . 10249 1 1027 . 1 1 87 87 LEU CD1 C 13 25.499 0.300 . 2 . . . . 87 LEU CD1 . 10249 1 1028 . 1 1 87 87 LEU CD2 C 13 25.108 0.300 . 2 . . . . 87 LEU CD2 . 10249 1 1029 . 1 1 87 87 LEU CG C 13 27.821 0.300 . 1 . . . . 87 LEU CG . 10249 1 1030 . 1 1 87 87 LEU N N 15 121.334 0.300 . 1 . . . . 87 LEU N . 10249 1 1031 . 1 1 88 88 PHE H H 1 9.512 0.030 . 1 . . . . 88 PHE H . 10249 1 1032 . 1 1 88 88 PHE HA H 1 5.156 0.030 . 1 . . . . 88 PHE HA . 10249 1 1033 . 1 1 88 88 PHE HB2 H 1 3.038 0.030 . 2 . . . . 88 PHE HB2 . 10249 1 1034 . 1 1 88 88 PHE HB3 H 1 2.943 0.030 . 2 . . . . 88 PHE HB3 . 10249 1 1035 . 1 1 88 88 PHE HD1 H 1 6.891 0.030 . 1 . . . . 88 PHE HD1 . 10249 1 1036 . 1 1 88 88 PHE HD2 H 1 6.891 0.030 . 1 . . . . 88 PHE HD2 . 10249 1 1037 . 1 1 88 88 PHE HE1 H 1 6.708 0.030 . 1 . . . . 88 PHE HE1 . 10249 1 1038 . 1 1 88 88 PHE HE2 H 1 6.708 0.030 . 1 . . . . 88 PHE HE2 . 10249 1 1039 . 1 1 88 88 PHE HZ H 1 6.451 0.030 . 1 . . . . 88 PHE HZ . 10249 1 1040 . 1 1 88 88 PHE C C 13 170.288 0.300 . 1 . . . . 88 PHE C . 10249 1 1041 . 1 1 88 88 PHE CA C 13 56.787 0.300 . 1 . . . . 88 PHE CA . 10249 1 1042 . 1 1 88 88 PHE CB C 13 41.763 0.300 . 1 . . . . 88 PHE CB . 10249 1 1043 . 1 1 88 88 PHE CD1 C 13 132.792 0.300 . 1 . . . . 88 PHE CD1 . 10249 1 1044 . 1 1 88 88 PHE CD2 C 13 132.792 0.300 . 1 . . . . 88 PHE CD2 . 10249 1 1045 . 1 1 88 88 PHE CE1 C 13 129.709 0.300 . 1 . . . . 88 PHE CE1 . 10249 1 1046 . 1 1 88 88 PHE CE2 C 13 129.709 0.300 . 1 . . . . 88 PHE CE2 . 10249 1 1047 . 1 1 88 88 PHE CZ C 13 129.628 0.300 . 1 . . . . 88 PHE CZ . 10249 1 1048 . 1 1 88 88 PHE N N 15 119.324 0.300 . 1 . . . . 88 PHE N . 10249 1 1049 . 1 1 89 89 GLU H H 1 9.028 0.030 . 1 . . . . 89 GLU H . 10249 1 1050 . 1 1 89 89 GLU HA H 1 5.293 0.030 . 1 . . . . 89 GLU HA . 10249 1 1051 . 1 1 89 89 GLU HB2 H 1 1.846 0.030 . 2 . . . . 89 GLU HB2 . 10249 1 1052 . 1 1 89 89 GLU HB3 H 1 1.553 0.030 . 2 . . . . 89 GLU HB3 . 10249 1 1053 . 1 1 89 89 GLU HG2 H 1 1.444 0.030 . 2 . . . . 89 GLU HG2 . 10249 1 1054 . 1 1 89 89 GLU HG3 H 1 1.714 0.030 . 2 . . . . 89 GLU HG3 . 10249 1 1055 . 1 1 89 89 GLU C C 13 175.245 0.300 . 1 . . . . 89 GLU C . 10249 1 1056 . 1 1 89 89 GLU CA C 13 53.433 0.300 . 1 . . . . 89 GLU CA . 10249 1 1057 . 1 1 89 89 GLU CB C 13 34.566 0.300 . 1 . . . . 89 GLU CB . 10249 1 1058 . 1 1 89 89 GLU CG C 13 35.635 0.300 . 1 . . . . 89 GLU CG . 10249 1 1059 . 1 1 89 89 GLU N N 15 121.829 0.300 . 1 . . . . 89 GLU N . 10249 1 1060 . 1 1 90 90 ILE H H 1 8.655 0.030 . 1 . . . . 90 ILE H . 10249 1 1061 . 1 1 90 90 ILE HA H 1 4.793 0.030 . 1 . . . . 90 ILE HA . 10249 1 1062 . 1 1 90 90 ILE HB H 1 1.553 0.030 . 1 . . . . 90 ILE HB . 10249 1 1063 . 1 1 90 90 ILE HD11 H 1 0.600 0.030 . 1 . . . . 90 ILE HD1 . 10249 1 1064 . 1 1 90 90 ILE HD12 H 1 0.600 0.030 . 1 . . . . 90 ILE HD1 . 10249 1 1065 . 1 1 90 90 ILE HD13 H 1 0.600 0.030 . 1 . . . . 90 ILE HD1 . 10249 1 1066 . 1 1 90 90 ILE HG12 H 1 0.886 0.030 . 2 . . . . 90 ILE HG12 . 10249 1 1067 . 1 1 90 90 ILE HG13 H 1 1.604 0.030 . 2 . . . . 90 ILE HG13 . 10249 1 1068 . 1 1 90 90 ILE HG21 H 1 0.713 0.030 . 1 . . . . 90 ILE HG2 . 10249 1 1069 . 1 1 90 90 ILE HG22 H 1 0.713 0.030 . 1 . . . . 90 ILE HG2 . 10249 1 1070 . 1 1 90 90 ILE HG23 H 1 0.713 0.030 . 1 . . . . 90 ILE HG2 . 10249 1 1071 . 1 1 90 90 ILE C C 13 174.808 0.300 . 1 . . . . 90 ILE C . 10249 1 1072 . 1 1 90 90 ILE CA C 13 59.857 0.300 . 1 . . . . 90 ILE CA . 10249 1 1073 . 1 1 90 90 ILE CB C 13 41.886 0.300 . 1 . . . . 90 ILE CB . 10249 1 1074 . 1 1 90 90 ILE CD1 C 13 15.401 0.300 . 1 . . . . 90 ILE CD1 . 10249 1 1075 . 1 1 90 90 ILE CG1 C 13 27.400 0.300 . 1 . . . . 90 ILE CG1 . 10249 1 1076 . 1 1 90 90 ILE CG2 C 13 16.800 0.300 . 1 . . . . 90 ILE CG2 . 10249 1 1077 . 1 1 90 90 ILE N N 15 123.446 0.300 . 1 . . . . 90 ILE N . 10249 1 1078 . 1 1 91 91 ILE H H 1 9.199 0.030 . 1 . . . . 91 ILE H . 10249 1 1079 . 1 1 91 91 ILE HA H 1 4.724 0.030 . 1 . . . . 91 ILE HA . 10249 1 1080 . 1 1 91 91 ILE HB H 1 1.516 0.030 . 1 . . . . 91 ILE HB . 10249 1 1081 . 1 1 91 91 ILE HD11 H 1 0.621 0.030 . 1 . . . . 91 ILE HD1 . 10249 1 1082 . 1 1 91 91 ILE HD12 H 1 0.621 0.030 . 1 . . . . 91 ILE HD1 . 10249 1 1083 . 1 1 91 91 ILE HD13 H 1 0.621 0.030 . 1 . . . . 91 ILE HD1 . 10249 1 1084 . 1 1 91 91 ILE HG12 H 1 1.095 0.030 . 2 . . . . 91 ILE HG12 . 10249 1 1085 . 1 1 91 91 ILE HG13 H 1 0.044 0.030 . 2 . . . . 91 ILE HG13 . 10249 1 1086 . 1 1 91 91 ILE HG21 H 1 0.365 0.030 . 1 . . . . 91 ILE HG2 . 10249 1 1087 . 1 1 91 91 ILE HG22 H 1 0.365 0.030 . 1 . . . . 91 ILE HG2 . 10249 1 1088 . 1 1 91 91 ILE HG23 H 1 0.365 0.030 . 1 . . . . 91 ILE HG2 . 10249 1 1089 . 1 1 91 91 ILE C C 13 177.898 0.300 . 1 . . . . 91 ILE C . 10249 1 1090 . 1 1 91 91 ILE CA C 13 60.211 0.300 . 1 . . . . 91 ILE CA . 10249 1 1091 . 1 1 91 91 ILE CB C 13 39.043 0.300 . 1 . . . . 91 ILE CB . 10249 1 1092 . 1 1 91 91 ILE CD1 C 13 14.908 0.300 . 1 . . . . 91 ILE CD1 . 10249 1 1093 . 1 1 91 91 ILE CG1 C 13 28.084 0.300 . 1 . . . . 91 ILE CG1 . 10249 1 1094 . 1 1 91 91 ILE CG2 C 13 17.863 0.300 . 1 . . . . 91 ILE CG2 . 10249 1 1095 . 1 1 91 91 ILE N N 15 126.827 0.300 . 1 . . . . 91 ILE N . 10249 1 1096 . 1 1 92 92 THR H H 1 9.086 0.030 . 1 . . . . 92 THR H . 10249 1 1097 . 1 1 92 92 THR HA H 1 4.314 0.030 . 1 . . . . 92 THR HA . 10249 1 1098 . 1 1 92 92 THR HB H 1 4.807 0.030 . 1 . . . . 92 THR HB . 10249 1 1099 . 1 1 92 92 THR HG21 H 1 1.424 0.030 . 1 . . . . 92 THR HG2 . 10249 1 1100 . 1 1 92 92 THR HG22 H 1 1.424 0.030 . 1 . . . . 92 THR HG2 . 10249 1 1101 . 1 1 92 92 THR HG23 H 1 1.424 0.030 . 1 . . . . 92 THR HG2 . 10249 1 1102 . 1 1 92 92 THR C C 13 176.857 0.300 . 1 . . . . 92 THR C . 10249 1 1103 . 1 1 92 92 THR CA C 13 61.693 0.300 . 1 . . . . 92 THR CA . 10249 1 1104 . 1 1 92 92 THR CB C 13 70.920 0.300 . 1 . . . . 92 THR CB . 10249 1 1105 . 1 1 92 92 THR CG2 C 13 23.544 0.300 . 1 . . . . 92 THR CG2 . 10249 1 1106 . 1 1 92 92 THR N N 15 117.131 0.300 . 1 . . . . 92 THR N . 10249 1 1107 . 1 1 93 93 ALA H H 1 9.192 0.030 . 1 . . . . 93 ALA H . 10249 1 1108 . 1 1 93 93 ALA HA H 1 4.101 0.030 . 1 . . . . 93 ALA HA . 10249 1 1109 . 1 1 93 93 ALA HB1 H 1 1.464 0.030 . 1 . . . . 93 ALA HB . 10249 1 1110 . 1 1 93 93 ALA HB2 H 1 1.464 0.030 . 1 . . . . 93 ALA HB . 10249 1 1111 . 1 1 93 93 ALA HB3 H 1 1.464 0.030 . 1 . . . . 93 ALA HB . 10249 1 1112 . 1 1 93 93 ALA C C 13 178.008 0.300 . 1 . . . . 93 ALA C . 10249 1 1113 . 1 1 93 93 ALA CA C 13 54.634 0.300 . 1 . . . . 93 ALA CA . 10249 1 1114 . 1 1 93 93 ALA CB C 13 18.198 0.300 . 1 . . . . 93 ALA CB . 10249 1 1115 . 1 1 93 93 ALA N N 15 123.540 0.300 . 1 . . . . 93 ALA N . 10249 1 1116 . 1 1 94 94 ASP H H 1 7.979 0.030 . 1 . . . . 94 ASP H . 10249 1 1117 . 1 1 94 94 ASP HA H 1 4.724 0.030 . 1 . . . . 94 ASP HA . 10249 1 1118 . 1 1 94 94 ASP HB2 H 1 2.762 0.030 . 2 . . . . 94 ASP HB2 . 10249 1 1119 . 1 1 94 94 ASP HB3 H 1 2.726 0.030 . 2 . . . . 94 ASP HB3 . 10249 1 1120 . 1 1 94 94 ASP C C 13 174.324 0.300 . 1 . . . . 94 ASP C . 10249 1 1121 . 1 1 94 94 ASP CA C 13 53.098 0.300 . 1 . . . . 94 ASP CA . 10249 1 1122 . 1 1 94 94 ASP CB C 13 39.336 0.300 . 1 . . . . 94 ASP CB . 10249 1 1123 . 1 1 94 94 ASP N N 15 113.209 0.300 . 1 . . . . 94 ASP N . 10249 1 1124 . 1 1 95 95 GLU H H 1 8.152 0.030 . 1 . . . . 95 GLU H . 10249 1 1125 . 1 1 95 95 GLU HA H 1 3.430 0.030 . 1 . . . . 95 GLU HA . 10249 1 1126 . 1 1 95 95 GLU HB2 H 1 2.359 0.030 . 2 . . . . 95 GLU HB2 . 10249 1 1127 . 1 1 95 95 GLU HB3 H 1 2.179 0.030 . 2 . . . . 95 GLU HB3 . 10249 1 1128 . 1 1 95 95 GLU HG2 H 1 2.156 0.030 . 2 . . . . 95 GLU HG2 . 10249 1 1129 . 1 1 95 95 GLU HG3 H 1 2.074 0.030 . 2 . . . . 95 GLU HG3 . 10249 1 1130 . 1 1 95 95 GLU C C 13 174.578 0.300 . 1 . . . . 95 GLU C . 10249 1 1131 . 1 1 95 95 GLU CA C 13 57.687 0.300 . 1 . . . . 95 GLU CA . 10249 1 1132 . 1 1 95 95 GLU CB C 13 26.300 0.300 . 1 . . . . 95 GLU CB . 10249 1 1133 . 1 1 95 95 GLU CG C 13 37.180 0.300 . 1 . . . . 95 GLU CG . 10249 1 1134 . 1 1 95 95 GLU N N 15 114.010 0.300 . 1 . . . . 95 GLU N . 10249 1 1135 . 1 1 96 96 VAL H H 1 7.595 0.030 . 1 . . . . 96 VAL H . 10249 1 1136 . 1 1 96 96 VAL HA H 1 4.063 0.030 . 1 . . . . 96 VAL HA . 10249 1 1137 . 1 1 96 96 VAL HB H 1 2.065 0.030 . 1 . . . . 96 VAL HB . 10249 1 1138 . 1 1 96 96 VAL HG11 H 1 0.619 0.030 . 1 . . . . 96 VAL HG1 . 10249 1 1139 . 1 1 96 96 VAL HG12 H 1 0.619 0.030 . 1 . . . . 96 VAL HG1 . 10249 1 1140 . 1 1 96 96 VAL HG13 H 1 0.619 0.030 . 1 . . . . 96 VAL HG1 . 10249 1 1141 . 1 1 96 96 VAL HG21 H 1 0.809 0.030 . 1 . . . . 96 VAL HG2 . 10249 1 1142 . 1 1 96 96 VAL HG22 H 1 0.809 0.030 . 1 . . . . 96 VAL HG2 . 10249 1 1143 . 1 1 96 96 VAL HG23 H 1 0.809 0.030 . 1 . . . . 96 VAL HG2 . 10249 1 1144 . 1 1 96 96 VAL C C 13 175.293 0.300 . 1 . . . . 96 VAL C . 10249 1 1145 . 1 1 96 96 VAL CA C 13 62.751 0.300 . 1 . . . . 96 VAL CA . 10249 1 1146 . 1 1 96 96 VAL CB C 13 31.440 0.300 . 1 . . . . 96 VAL CB . 10249 1 1147 . 1 1 96 96 VAL CG1 C 13 21.652 0.300 . 2 . . . . 96 VAL CG1 . 10249 1 1148 . 1 1 96 96 VAL CG2 C 13 21.875 0.300 . 2 . . . . 96 VAL CG2 . 10249 1 1149 . 1 1 96 96 VAL N N 15 120.925 0.300 . 1 . . . . 96 VAL N . 10249 1 1150 . 1 1 97 97 HIS H H 1 8.603 0.030 . 1 . . . . 97 HIS H . 10249 1 1151 . 1 1 97 97 HIS HA H 1 5.234 0.030 . 1 . . . . 97 HIS HA . 10249 1 1152 . 1 1 97 97 HIS HB2 H 1 2.981 0.030 . 2 . . . . 97 HIS HB2 . 10249 1 1153 . 1 1 97 97 HIS HB3 H 1 2.636 0.030 . 2 . . . . 97 HIS HB3 . 10249 1 1154 . 1 1 97 97 HIS HD2 H 1 7.245 0.030 . 1 . . . . 97 HIS HD2 . 10249 1 1155 . 1 1 97 97 HIS HE1 H 1 8.417 0.030 . 1 . . . . 97 HIS HE1 . 10249 1 1156 . 1 1 97 97 HIS C C 13 174.348 0.300 . 1 . . . . 97 HIS C . 10249 1 1157 . 1 1 97 97 HIS CA C 13 54.404 0.300 . 1 . . . . 97 HIS CA . 10249 1 1158 . 1 1 97 97 HIS CB C 13 30.536 0.300 . 1 . . . . 97 HIS CB . 10249 1 1159 . 1 1 97 97 HIS CD2 C 13 119.919 0.300 . 1 . . . . 97 HIS CD2 . 10249 1 1160 . 1 1 97 97 HIS CE1 C 13 135.464 0.300 . 1 . . . . 97 HIS CE1 . 10249 1 1161 . 1 1 97 97 HIS N N 15 124.160 0.300 . 1 . . . . 97 HIS N . 10249 1 1162 . 1 1 98 98 TYR H H 1 9.267 0.030 . 1 . . . . 98 TYR H . 10249 1 1163 . 1 1 98 98 TYR HA H 1 4.532 0.030 . 1 . . . . 98 TYR HA . 10249 1 1164 . 1 1 98 98 TYR HB2 H 1 2.554 0.030 . 2 . . . . 98 TYR HB2 . 10249 1 1165 . 1 1 98 98 TYR HB3 H 1 2.463 0.030 . 2 . . . . 98 TYR HB3 . 10249 1 1166 . 1 1 98 98 TYR HD1 H 1 6.816 0.030 . 1 . . . . 98 TYR HD1 . 10249 1 1167 . 1 1 98 98 TYR HD2 H 1 6.816 0.030 . 1 . . . . 98 TYR HD2 . 10249 1 1168 . 1 1 98 98 TYR HE1 H 1 6.738 0.030 . 1 . . . . 98 TYR HE1 . 10249 1 1169 . 1 1 98 98 TYR HE2 H 1 6.738 0.030 . 1 . . . . 98 TYR HE2 . 10249 1 1170 . 1 1 98 98 TYR C C 13 173.621 0.300 . 1 . . . . 98 TYR C . 10249 1 1171 . 1 1 98 98 TYR CA C 13 57.122 0.300 . 1 . . . . 98 TYR CA . 10249 1 1172 . 1 1 98 98 TYR CB C 13 41.228 0.300 . 1 . . . . 98 TYR CB . 10249 1 1173 . 1 1 98 98 TYR CD1 C 13 132.534 0.300 . 1 . . . . 98 TYR CD1 . 10249 1 1174 . 1 1 98 98 TYR CD2 C 13 132.534 0.300 . 1 . . . . 98 TYR CD2 . 10249 1 1175 . 1 1 98 98 TYR CE1 C 13 118.558 0.300 . 1 . . . . 98 TYR CE1 . 10249 1 1176 . 1 1 98 98 TYR CE2 C 13 118.558 0.300 . 1 . . . . 98 TYR CE2 . 10249 1 1177 . 1 1 98 98 TYR N N 15 121.543 0.300 . 1 . . . . 98 TYR N . 10249 1 1178 . 1 1 99 99 PHE H H 1 8.861 0.030 . 1 . . . . 99 PHE H . 10249 1 1179 . 1 1 99 99 PHE HA H 1 4.983 0.030 . 1 . . . . 99 PHE HA . 10249 1 1180 . 1 1 99 99 PHE HB2 H 1 2.893 0.030 . 2 . . . . 99 PHE HB2 . 10249 1 1181 . 1 1 99 99 PHE HB3 H 1 2.701 0.030 . 2 . . . . 99 PHE HB3 . 10249 1 1182 . 1 1 99 99 PHE HD1 H 1 7.072 0.030 . 1 . . . . 99 PHE HD1 . 10249 1 1183 . 1 1 99 99 PHE HD2 H 1 7.072 0.030 . 1 . . . . 99 PHE HD2 . 10249 1 1184 . 1 1 99 99 PHE HE1 H 1 7.195 0.030 . 1 . . . . 99 PHE HE1 . 10249 1 1185 . 1 1 99 99 PHE HE2 H 1 7.195 0.030 . 1 . . . . 99 PHE HE2 . 10249 1 1186 . 1 1 99 99 PHE C C 13 173.754 0.300 . 1 . . . . 99 PHE C . 10249 1 1187 . 1 1 99 99 PHE CA C 13 57.705 0.300 . 1 . . . . 99 PHE CA . 10249 1 1188 . 1 1 99 99 PHE CB C 13 41.516 0.300 . 1 . . . . 99 PHE CB . 10249 1 1189 . 1 1 99 99 PHE CD1 C 13 131.275 0.300 . 1 . . . . 99 PHE CD1 . 10249 1 1190 . 1 1 99 99 PHE CD2 C 13 131.275 0.300 . 1 . . . . 99 PHE CD2 . 10249 1 1191 . 1 1 99 99 PHE CE1 C 13 131.242 0.300 . 1 . . . . 99 PHE CE1 . 10249 1 1192 . 1 1 99 99 PHE CE2 C 13 131.242 0.300 . 1 . . . . 99 PHE CE2 . 10249 1 1193 . 1 1 99 99 PHE N N 15 121.699 0.300 . 1 . . . . 99 PHE N . 10249 1 1194 . 1 1 100 100 LEU H H 1 8.529 0.030 . 1 . . . . 100 LEU H . 10249 1 1195 . 1 1 100 100 LEU HA H 1 5.345 0.030 . 1 . . . . 100 LEU HA . 10249 1 1196 . 1 1 100 100 LEU HB2 H 1 0.395 0.030 . 2 . . . . 100 LEU HB2 . 10249 1 1197 . 1 1 100 100 LEU HB3 H 1 -0.219 0.030 . 2 . . . . 100 LEU HB3 . 10249 1 1198 . 1 1 100 100 LEU HD11 H 1 0.335 0.030 . 1 . . . . 100 LEU HD1 . 10249 1 1199 . 1 1 100 100 LEU HD12 H 1 0.335 0.030 . 1 . . . . 100 LEU HD1 . 10249 1 1200 . 1 1 100 100 LEU HD13 H 1 0.335 0.030 . 1 . . . . 100 LEU HD1 . 10249 1 1201 . 1 1 100 100 LEU HD21 H 1 -0.005 0.030 . 1 . . . . 100 LEU HD2 . 10249 1 1202 . 1 1 100 100 LEU HD22 H 1 -0.005 0.030 . 1 . . . . 100 LEU HD2 . 10249 1 1203 . 1 1 100 100 LEU HD23 H 1 -0.005 0.030 . 1 . . . . 100 LEU HD2 . 10249 1 1204 . 1 1 100 100 LEU HG H 1 0.924 0.030 . 1 . . . . 100 LEU HG . 10249 1 1205 . 1 1 100 100 LEU C C 13 174.942 0.300 . 1 . . . . 100 LEU C . 10249 1 1206 . 1 1 100 100 LEU CA C 13 52.781 0.300 . 1 . . . . 100 LEU CA . 10249 1 1207 . 1 1 100 100 LEU CB C 13 44.518 0.300 . 1 . . . . 100 LEU CB . 10249 1 1208 . 1 1 100 100 LEU CD1 C 13 25.025 0.300 . 2 . . . . 100 LEU CD1 . 10249 1 1209 . 1 1 100 100 LEU CD2 C 13 25.025 0.300 . 2 . . . . 100 LEU CD2 . 10249 1 1210 . 1 1 100 100 LEU CG C 13 27.489 0.300 . 1 . . . . 100 LEU CG . 10249 1 1211 . 1 1 100 100 LEU N N 15 123.519 0.300 . 1 . . . . 100 LEU N . 10249 1 1212 . 1 1 101 101 GLN H H 1 8.717 0.030 . 1 . . . . 101 GLN H . 10249 1 1213 . 1 1 101 101 GLN HA H 1 4.886 0.030 . 1 . . . . 101 GLN HA . 10249 1 1214 . 1 1 101 101 GLN HB2 H 1 1.654 0.030 . 2 . . . . 101 GLN HB2 . 10249 1 1215 . 1 1 101 101 GLN HB3 H 1 1.197 0.030 . 2 . . . . 101 GLN HB3 . 10249 1 1216 . 1 1 101 101 GLN HE21 H 1 4.973 0.030 . 2 . . . . 101 GLN HE21 . 10249 1 1217 . 1 1 101 101 GLN HE22 H 1 6.174 0.030 . 2 . . . . 101 GLN HE22 . 10249 1 1218 . 1 1 101 101 GLN HG2 H 1 2.144 0.030 . 2 . . . . 101 GLN HG2 . 10249 1 1219 . 1 1 101 101 GLN HG3 H 1 1.886 0.030 . 2 . . . . 101 GLN HG3 . 10249 1 1220 . 1 1 101 101 GLN C C 13 175.390 0.300 . 1 . . . . 101 GLN C . 10249 1 1221 . 1 1 101 101 GLN CA C 13 54.934 0.300 . 1 . . . . 101 GLN CA . 10249 1 1222 . 1 1 101 101 GLN CB C 13 32.222 0.300 . 1 . . . . 101 GLN CB . 10249 1 1223 . 1 1 101 101 GLN CG C 13 33.825 0.300 . 1 . . . . 101 GLN CG . 10249 1 1224 . 1 1 101 101 GLN N N 15 117.786 0.300 . 1 . . . . 101 GLN N . 10249 1 1225 . 1 1 101 101 GLN NE2 N 15 107.578 0.300 . 1 . . . . 101 GLN NE2 . 10249 1 1226 . 1 1 102 102 ALA H H 1 8.256 0.030 . 1 . . . . 102 ALA H . 10249 1 1227 . 1 1 102 102 ALA HA H 1 4.862 0.030 . 1 . . . . 102 ALA HA . 10249 1 1228 . 1 1 102 102 ALA HB1 H 1 1.654 0.030 . 1 . . . . 102 ALA HB . 10249 1 1229 . 1 1 102 102 ALA HB2 H 1 1.654 0.030 . 1 . . . . 102 ALA HB . 10249 1 1230 . 1 1 102 102 ALA HB3 H 1 1.654 0.030 . 1 . . . . 102 ALA HB . 10249 1 1231 . 1 1 102 102 ALA C C 13 176.008 0.300 . 1 . . . . 102 ALA C . 10249 1 1232 . 1 1 102 102 ALA CA C 13 50.098 0.300 . 1 . . . . 102 ALA CA . 10249 1 1233 . 1 1 102 102 ALA CB C 13 21.606 0.300 . 1 . . . . 102 ALA CB . 10249 1 1234 . 1 1 102 102 ALA N N 15 128.068 0.300 . 1 . . . . 102 ALA N . 10249 1 1235 . 1 1 103 103 ALA H H 1 9.255 0.030 . 1 . . . . 103 ALA H . 10249 1 1236 . 1 1 103 103 ALA HA H 1 4.247 0.030 . 1 . . . . 103 ALA HA . 10249 1 1237 . 1 1 103 103 ALA HB1 H 1 1.567 0.030 . 1 . . . . 103 ALA HB . 10249 1 1238 . 1 1 103 103 ALA HB2 H 1 1.567 0.030 . 1 . . . . 103 ALA HB . 10249 1 1239 . 1 1 103 103 ALA HB3 H 1 1.567 0.030 . 1 . . . . 103 ALA HB . 10249 1 1240 . 1 1 103 103 ALA C C 13 178.153 0.300 . 1 . . . . 103 ALA C . 10249 1 1241 . 1 1 103 103 ALA CA C 13 54.369 0.300 . 1 . . . . 103 ALA CA . 10249 1 1242 . 1 1 103 103 ALA CB C 13 20.377 0.300 . 1 . . . . 103 ALA CB . 10249 1 1243 . 1 1 103 103 ALA N N 15 120.410 0.300 . 1 . . . . 103 ALA N . 10249 1 1244 . 1 1 104 104 THR H H 1 7.149 0.030 . 1 . . . . 104 THR H . 10249 1 1245 . 1 1 104 104 THR HA H 1 4.846 0.030 . 1 . . . . 104 THR HA . 10249 1 1246 . 1 1 104 104 THR HB H 1 4.642 0.030 . 1 . . . . 104 THR HB . 10249 1 1247 . 1 1 104 104 THR HG21 H 1 1.244 0.030 . 1 . . . . 104 THR HG2 . 10249 1 1248 . 1 1 104 104 THR HG22 H 1 1.244 0.030 . 1 . . . . 104 THR HG2 . 10249 1 1249 . 1 1 104 104 THR HG23 H 1 1.244 0.030 . 1 . . . . 104 THR HG2 . 10249 1 1250 . 1 1 104 104 THR C C 13 173.354 0.300 . 1 . . . . 104 THR C . 10249 1 1251 . 1 1 104 104 THR CA C 13 57.810 0.300 . 1 . . . . 104 THR CA . 10249 1 1252 . 1 1 104 104 THR CB C 13 71.496 0.300 . 1 . . . . 104 THR CB . 10249 1 1253 . 1 1 104 104 THR CG2 C 13 22.109 0.300 . 1 . . . . 104 THR CG2 . 10249 1 1254 . 1 1 104 104 THR N N 15 103.106 0.300 . 1 . . . . 104 THR N . 10249 1 1255 . 1 1 105 105 PRO HA H 1 4.225 0.030 . 1 . . . . 105 PRO HA . 10249 1 1256 . 1 1 105 105 PRO HB2 H 1 2.452 0.030 . 2 . . . . 105 PRO HB2 . 10249 1 1257 . 1 1 105 105 PRO HB3 H 1 2.025 0.030 . 2 . . . . 105 PRO HB3 . 10249 1 1258 . 1 1 105 105 PRO HD2 H 1 3.885 0.030 . 2 . . . . 105 PRO HD2 . 10249 1 1259 . 1 1 105 105 PRO HD3 H 1 4.024 0.030 . 2 . . . . 105 PRO HD3 . 10249 1 1260 . 1 1 105 105 PRO HG2 H 1 2.196 0.030 . 1 . . . . 105 PRO HG2 . 10249 1 1261 . 1 1 105 105 PRO HG3 H 1 2.196 0.030 . 1 . . . . 105 PRO HG3 . 10249 1 1262 . 1 1 105 105 PRO C C 13 179.704 0.300 . 1 . . . . 105 PRO C . 10249 1 1263 . 1 1 105 105 PRO CA C 13 65.046 0.300 . 1 . . . . 105 PRO CA . 10249 1 1264 . 1 1 105 105 PRO CB C 13 31.775 0.300 . 1 . . . . 105 PRO CB . 10249 1 1265 . 1 1 105 105 PRO CD C 13 50.706 0.300 . 1 . . . . 105 PRO CD . 10249 1 1266 . 1 1 105 105 PRO CG C 13 27.492 0.300 . 1 . . . . 105 PRO CG . 10249 1 1267 . 1 1 106 106 LYS H H 1 7.764 0.030 . 1 . . . . 106 LYS H . 10249 1 1268 . 1 1 106 106 LYS HA H 1 4.036 0.030 . 1 . . . . 106 LYS HA . 10249 1 1269 . 1 1 106 106 LYS HB2 H 1 1.889 0.030 . 2 . . . . 106 LYS HB2 . 10249 1 1270 . 1 1 106 106 LYS HB3 H 1 1.704 0.030 . 2 . . . . 106 LYS HB3 . 10249 1 1271 . 1 1 106 106 LYS HD2 H 1 1.667 0.030 . 1 . . . . 106 LYS HD2 . 10249 1 1272 . 1 1 106 106 LYS HD3 H 1 1.667 0.030 . 1 . . . . 106 LYS HD3 . 10249 1 1273 . 1 1 106 106 LYS HE2 H 1 2.954 0.030 . 1 . . . . 106 LYS HE2 . 10249 1 1274 . 1 1 106 106 LYS HE3 H 1 2.954 0.030 . 1 . . . . 106 LYS HE3 . 10249 1 1275 . 1 1 106 106 LYS HG2 H 1 1.286 0.030 . 2 . . . . 106 LYS HG2 . 10249 1 1276 . 1 1 106 106 LYS HG3 H 1 1.404 0.030 . 2 . . . . 106 LYS HG3 . 10249 1 1277 . 1 1 106 106 LYS C C 13 177.959 0.300 . 1 . . . . 106 LYS C . 10249 1 1278 . 1 1 106 106 LYS CA C 13 59.452 0.300 . 1 . . . . 106 LYS CA . 10249 1 1279 . 1 1 106 106 LYS CB C 13 32.797 0.300 . 1 . . . . 106 LYS CB . 10249 1 1280 . 1 1 106 106 LYS CD C 13 29.548 0.300 . 1 . . . . 106 LYS CD . 10249 1 1281 . 1 1 106 106 LYS CE C 13 42.050 0.300 . 1 . . . . 106 LYS CE . 10249 1 1282 . 1 1 106 106 LYS CG C 13 24.549 0.300 . 1 . . . . 106 LYS CG . 10249 1 1283 . 1 1 106 106 LYS N N 15 119.261 0.300 . 1 . . . . 106 LYS N . 10249 1 1284 . 1 1 107 107 GLU H H 1 8.005 0.030 . 1 . . . . 107 GLU H . 10249 1 1285 . 1 1 107 107 GLU HA H 1 4.171 0.030 . 1 . . . . 107 GLU HA . 10249 1 1286 . 1 1 107 107 GLU HB2 H 1 2.324 0.030 . 2 . . . . 107 GLU HB2 . 10249 1 1287 . 1 1 107 107 GLU HB3 H 1 2.214 0.030 . 2 . . . . 107 GLU HB3 . 10249 1 1288 . 1 1 107 107 GLU HG2 H 1 2.553 0.030 . 2 . . . . 107 GLU HG2 . 10249 1 1289 . 1 1 107 107 GLU HG3 H 1 2.428 0.030 . 2 . . . . 107 GLU HG3 . 10249 1 1290 . 1 1 107 107 GLU C C 13 178.529 0.300 . 1 . . . . 107 GLU C . 10249 1 1291 . 1 1 107 107 GLU CA C 13 59.310 0.300 . 1 . . . . 107 GLU CA . 10249 1 1292 . 1 1 107 107 GLU CB C 13 31.111 0.300 . 1 . . . . 107 GLU CB . 10249 1 1293 . 1 1 107 107 GLU CG C 13 38.431 0.300 . 1 . . . . 107 GLU CG . 10249 1 1294 . 1 1 107 107 GLU N N 15 119.293 0.300 . 1 . . . . 107 GLU N . 10249 1 1295 . 1 1 108 108 ARG H H 1 7.810 0.030 . 1 . . . . 108 ARG H . 10249 1 1296 . 1 1 108 108 ARG HA H 1 3.603 0.030 . 1 . . . . 108 ARG HA . 10249 1 1297 . 1 1 108 108 ARG HB2 H 1 2.290 0.030 . 2 . . . . 108 ARG HB2 . 10249 1 1298 . 1 1 108 108 ARG HB3 H 1 1.557 0.030 . 2 . . . . 108 ARG HB3 . 10249 1 1299 . 1 1 108 108 ARG HD2 H 1 3.325 0.030 . 2 . . . . 108 ARG HD2 . 10249 1 1300 . 1 1 108 108 ARG HD3 H 1 2.740 0.030 . 2 . . . . 108 ARG HD3 . 10249 1 1301 . 1 1 108 108 ARG HG2 H 1 1.374 0.030 . 2 . . . . 108 ARG HG2 . 10249 1 1302 . 1 1 108 108 ARG HG3 H 1 1.219 0.030 . 2 . . . . 108 ARG HG3 . 10249 1 1303 . 1 1 108 108 ARG C C 13 176.287 0.300 . 1 . . . . 108 ARG C . 10249 1 1304 . 1 1 108 108 ARG CA C 13 60.598 0.300 . 1 . . . . 108 ARG CA . 10249 1 1305 . 1 1 108 108 ARG CB C 13 29.548 0.300 . 1 . . . . 108 ARG CB . 10249 1 1306 . 1 1 108 108 ARG CD C 13 44.554 0.300 . 1 . . . . 108 ARG CD . 10249 1 1307 . 1 1 108 108 ARG CG C 13 25.929 0.300 . 1 . . . . 108 ARG CG . 10249 1 1308 . 1 1 108 108 ARG N N 15 118.989 0.300 . 1 . . . . 108 ARG N . 10249 1 1309 . 1 1 109 109 THR H H 1 8.195 0.030 . 1 . . . . 109 THR H . 10249 1 1310 . 1 1 109 109 THR HA H 1 3.645 0.030 . 1 . . . . 109 THR HA . 10249 1 1311 . 1 1 109 109 THR HB H 1 4.281 0.030 . 1 . . . . 109 THR HB . 10249 1 1312 . 1 1 109 109 THR HG21 H 1 1.210 0.030 . 1 . . . . 109 THR HG2 . 10249 1 1313 . 1 1 109 109 THR HG22 H 1 1.210 0.030 . 1 . . . . 109 THR HG2 . 10249 1 1314 . 1 1 109 109 THR HG23 H 1 1.210 0.030 . 1 . . . . 109 THR HG2 . 10249 1 1315 . 1 1 109 109 THR C C 13 176.227 0.300 . 1 . . . . 109 THR C . 10249 1 1316 . 1 1 109 109 THR CA C 13 67.022 0.300 . 1 . . . . 109 THR CA . 10249 1 1317 . 1 1 109 109 THR CB C 13 68.576 0.300 . 1 . . . . 109 THR CB . 10249 1 1318 . 1 1 109 109 THR CG2 C 13 22.228 0.300 . 1 . . . . 109 THR CG2 . 10249 1 1319 . 1 1 109 109 THR N N 15 115.975 0.300 . 1 . . . . 109 THR N . 10249 1 1320 . 1 1 110 110 GLU H H 1 8.274 0.030 . 1 . . . . 110 GLU H . 10249 1 1321 . 1 1 110 110 GLU HA H 1 3.794 0.030 . 1 . . . . 110 GLU HA . 10249 1 1322 . 1 1 110 110 GLU HB2 H 1 2.154 0.030 . 2 . . . . 110 GLU HB2 . 10249 1 1323 . 1 1 110 110 GLU HB3 H 1 1.557 0.030 . 2 . . . . 110 GLU HB3 . 10249 1 1324 . 1 1 110 110 GLU HG2 H 1 2.494 0.030 . 2 . . . . 110 GLU HG2 . 10249 1 1325 . 1 1 110 110 GLU HG3 H 1 2.149 0.030 . 2 . . . . 110 GLU HG3 . 10249 1 1326 . 1 1 110 110 GLU C C 13 180.516 0.300 . 1 . . . . 110 GLU C . 10249 1 1327 . 1 1 110 110 GLU CA C 13 59.534 0.300 . 1 . . . . 110 GLU CA . 10249 1 1328 . 1 1 110 110 GLU CB C 13 29.507 0.300 . 1 . . . . 110 GLU CB . 10249 1 1329 . 1 1 110 110 GLU CG C 13 36.854 0.300 . 1 . . . . 110 GLU CG . 10249 1 1330 . 1 1 110 110 GLU N N 15 119.565 0.300 . 1 . . . . 110 GLU N . 10249 1 1331 . 1 1 111 111 TRP H H 1 8.316 0.030 . 1 . . . . 111 TRP H . 10249 1 1332 . 1 1 111 111 TRP HA H 1 3.912 0.030 . 1 . . . . 111 TRP HA . 10249 1 1333 . 1 1 111 111 TRP HB2 H 1 2.810 0.030 . 2 . . . . 111 TRP HB2 . 10249 1 1334 . 1 1 111 111 TRP HB3 H 1 2.912 0.030 . 2 . . . . 111 TRP HB3 . 10249 1 1335 . 1 1 111 111 TRP HD1 H 1 7.300 0.030 . 1 . . . . 111 TRP HD1 . 10249 1 1336 . 1 1 111 111 TRP HE1 H 1 10.955 0.030 . 1 . . . . 111 TRP HE1 . 10249 1 1337 . 1 1 111 111 TRP HE3 H 1 7.381 0.030 . 1 . . . . 111 TRP HE3 . 10249 1 1338 . 1 1 111 111 TRP HH2 H 1 6.889 0.030 . 1 . . . . 111 TRP HH2 . 10249 1 1339 . 1 1 111 111 TRP HZ2 H 1 7.036 0.030 . 1 . . . . 111 TRP HZ2 . 10249 1 1340 . 1 1 111 111 TRP HZ3 H 1 6.873 0.030 . 1 . . . . 111 TRP HZ3 . 10249 1 1341 . 1 1 111 111 TRP C C 13 178.020 0.300 . 1 . . . . 111 TRP C . 10249 1 1342 . 1 1 111 111 TRP CA C 13 62.464 0.300 . 1 . . . . 111 TRP CA . 10249 1 1343 . 1 1 111 111 TRP CB C 13 29.548 0.300 . 1 . . . . 111 TRP CB . 10249 1 1344 . 1 1 111 111 TRP CD1 C 13 127.061 0.300 . 1 . . . . 111 TRP CD1 . 10249 1 1345 . 1 1 111 111 TRP CE3 C 13 118.865 0.300 . 1 . . . . 111 TRP CE3 . 10249 1 1346 . 1 1 111 111 TRP CH2 C 13 123.761 0.300 . 1 . . . . 111 TRP CH2 . 10249 1 1347 . 1 1 111 111 TRP CZ2 C 13 114.070 0.300 . 1 . . . . 111 TRP CZ2 . 10249 1 1348 . 1 1 111 111 TRP CZ3 C 13 121.093 0.300 . 1 . . . . 111 TRP CZ3 . 10249 1 1349 . 1 1 111 111 TRP N N 15 120.868 0.300 . 1 . . . . 111 TRP N . 10249 1 1350 . 1 1 111 111 TRP NE1 N 15 130.050 0.300 . 1 . . . . 111 TRP NE1 . 10249 1 1351 . 1 1 112 112 ILE H H 1 8.271 0.030 . 1 . . . . 112 ILE H . 10249 1 1352 . 1 1 112 112 ILE HA H 1 3.254 0.030 . 1 . . . . 112 ILE HA . 10249 1 1353 . 1 1 112 112 ILE HB H 1 1.641 0.030 . 1 . . . . 112 ILE HB . 10249 1 1354 . 1 1 112 112 ILE HD11 H 1 0.609 0.030 . 1 . . . . 112 ILE HD1 . 10249 1 1355 . 1 1 112 112 ILE HD12 H 1 0.609 0.030 . 1 . . . . 112 ILE HD1 . 10249 1 1356 . 1 1 112 112 ILE HD13 H 1 0.609 0.030 . 1 . . . . 112 ILE HD1 . 10249 1 1357 . 1 1 112 112 ILE HG12 H 1 1.194 0.030 . 2 . . . . 112 ILE HG12 . 10249 1 1358 . 1 1 112 112 ILE HG13 H 1 0.394 0.030 . 2 . . . . 112 ILE HG13 . 10249 1 1359 . 1 1 112 112 ILE HG21 H 1 0.700 0.030 . 1 . . . . 112 ILE HG2 . 10249 1 1360 . 1 1 112 112 ILE HG22 H 1 0.700 0.030 . 1 . . . . 112 ILE HG2 . 10249 1 1361 . 1 1 112 112 ILE HG23 H 1 0.700 0.030 . 1 . . . . 112 ILE HG2 . 10249 1 1362 . 1 1 112 112 ILE C C 13 177.669 0.300 . 1 . . . . 112 ILE C . 10249 1 1363 . 1 1 112 112 ILE CA C 13 67.040 0.300 . 1 . . . . 112 ILE CA . 10249 1 1364 . 1 1 112 112 ILE CB C 13 37.856 0.300 . 1 . . . . 112 ILE CB . 10249 1 1365 . 1 1 112 112 ILE CD1 C 13 14.643 0.300 . 1 . . . . 112 ILE CD1 . 10249 1 1366 . 1 1 112 112 ILE CG1 C 13 29.050 0.300 . 1 . . . . 112 ILE CG1 . 10249 1 1367 . 1 1 112 112 ILE CG2 C 13 15.992 0.300 . 1 . . . . 112 ILE CG2 . 10249 1 1368 . 1 1 112 112 ILE N N 15 118.862 0.300 . 1 . . . . 112 ILE N . 10249 1 1369 . 1 1 113 113 LYS H H 1 8.042 0.030 . 1 . . . . 113 LYS H . 10249 1 1370 . 1 1 113 113 LYS HA H 1 3.991 0.030 . 1 . . . . 113 LYS HA . 10249 1 1371 . 1 1 113 113 LYS HB2 H 1 1.750 0.030 . 1 . . . . 113 LYS HB2 . 10249 1 1372 . 1 1 113 113 LYS HB3 H 1 1.750 0.030 . 1 . . . . 113 LYS HB3 . 10249 1 1373 . 1 1 113 113 LYS HD2 H 1 1.624 0.030 . 1 . . . . 113 LYS HD2 . 10249 1 1374 . 1 1 113 113 LYS HD3 H 1 1.624 0.030 . 1 . . . . 113 LYS HD3 . 10249 1 1375 . 1 1 113 113 LYS HE2 H 1 2.894 0.030 . 1 . . . . 113 LYS HE2 . 10249 1 1376 . 1 1 113 113 LYS HE3 H 1 2.894 0.030 . 1 . . . . 113 LYS HE3 . 10249 1 1377 . 1 1 113 113 LYS HG2 H 1 1.529 0.030 . 2 . . . . 113 LYS HG2 . 10249 1 1378 . 1 1 113 113 LYS HG3 H 1 1.401 0.030 . 2 . . . . 113 LYS HG3 . 10249 1 1379 . 1 1 113 113 LYS C C 13 178.977 0.300 . 1 . . . . 113 LYS C . 10249 1 1380 . 1 1 113 113 LYS CA C 13 59.328 0.300 . 1 . . . . 113 LYS CA . 10249 1 1381 . 1 1 113 113 LYS CB C 13 32.345 0.300 . 1 . . . . 113 LYS CB . 10249 1 1382 . 1 1 113 113 LYS CD C 13 29.319 0.300 . 1 . . . . 113 LYS CD . 10249 1 1383 . 1 1 113 113 LYS CE C 13 42.033 0.300 . 1 . . . . 113 LYS CE . 10249 1 1384 . 1 1 113 113 LYS CG C 13 25.107 0.300 . 1 . . . . 113 LYS CG . 10249 1 1385 . 1 1 113 113 LYS N N 15 117.182 0.300 . 1 . . . . 113 LYS N . 10249 1 1386 . 1 1 114 114 ALA H H 1 7.686 0.030 . 1 . . . . 114 ALA H . 10249 1 1387 . 1 1 114 114 ALA HA H 1 4.058 0.030 . 1 . . . . 114 ALA HA . 10249 1 1388 . 1 1 114 114 ALA HB1 H 1 1.155 0.030 . 1 . . . . 114 ALA HB . 10249 1 1389 . 1 1 114 114 ALA HB2 H 1 1.155 0.030 . 1 . . . . 114 ALA HB . 10249 1 1390 . 1 1 114 114 ALA HB3 H 1 1.155 0.030 . 1 . . . . 114 ALA HB . 10249 1 1391 . 1 1 114 114 ALA C C 13 179.849 0.300 . 1 . . . . 114 ALA C . 10249 1 1392 . 1 1 114 114 ALA CA C 13 55.146 0.300 . 1 . . . . 114 ALA CA . 10249 1 1393 . 1 1 114 114 ALA CB C 13 18.362 0.300 . 1 . . . . 114 ALA CB . 10249 1 1394 . 1 1 114 114 ALA N N 15 120.689 0.300 . 1 . . . . 114 ALA N . 10249 1 1395 . 1 1 115 115 ILE H H 1 8.594 0.030 . 1 . . . . 115 ILE H . 10249 1 1396 . 1 1 115 115 ILE HA H 1 3.534 0.030 . 1 . . . . 115 ILE HA . 10249 1 1397 . 1 1 115 115 ILE HB H 1 1.925 0.030 . 1 . . . . 115 ILE HB . 10249 1 1398 . 1 1 115 115 ILE HD11 H 1 0.993 0.030 . 1 . . . . 115 ILE HD1 . 10249 1 1399 . 1 1 115 115 ILE HD12 H 1 0.993 0.030 . 1 . . . . 115 ILE HD1 . 10249 1 1400 . 1 1 115 115 ILE HD13 H 1 0.993 0.030 . 1 . . . . 115 ILE HD1 . 10249 1 1401 . 1 1 115 115 ILE HG12 H 1 0.995 0.030 . 2 . . . . 115 ILE HG12 . 10249 1 1402 . 1 1 115 115 ILE HG13 H 1 2.314 0.030 . 2 . . . . 115 ILE HG13 . 10249 1 1403 . 1 1 115 115 ILE HG21 H 1 0.833 0.030 . 1 . . . . 115 ILE HG2 . 10249 1 1404 . 1 1 115 115 ILE HG22 H 1 0.833 0.030 . 1 . . . . 115 ILE HG2 . 10249 1 1405 . 1 1 115 115 ILE HG23 H 1 0.833 0.030 . 1 . . . . 115 ILE HG2 . 10249 1 1406 . 1 1 115 115 ILE C C 13 178.432 0.300 . 1 . . . . 115 ILE C . 10249 1 1407 . 1 1 115 115 ILE CA C 13 66.016 0.300 . 1 . . . . 115 ILE CA . 10249 1 1408 . 1 1 115 115 ILE CB C 13 38.390 0.300 . 1 . . . . 115 ILE CB . 10249 1 1409 . 1 1 115 115 ILE CD1 C 13 14.923 0.300 . 1 . . . . 115 ILE CD1 . 10249 1 1410 . 1 1 115 115 ILE CG1 C 13 31.085 0.300 . 1 . . . . 115 ILE CG1 . 10249 1 1411 . 1 1 115 115 ILE CG2 C 13 18.609 0.300 . 1 . . . . 115 ILE CG2 . 10249 1 1412 . 1 1 115 115 ILE N N 15 118.898 0.300 . 1 . . . . 115 ILE N . 10249 1 1413 . 1 1 116 116 GLN H H 1 8.732 0.030 . 1 . . . . 116 GLN H . 10249 1 1414 . 1 1 116 116 GLN HA H 1 3.851 0.030 . 1 . . . . 116 GLN HA . 10249 1 1415 . 1 1 116 116 GLN HB2 H 1 1.904 0.030 . 2 . . . . 116 GLN HB2 . 10249 1 1416 . 1 1 116 116 GLN HB3 H 1 2.294 0.030 . 2 . . . . 116 GLN HB3 . 10249 1 1417 . 1 1 116 116 GLN HE21 H 1 6.725 0.030 . 2 . . . . 116 GLN HE21 . 10249 1 1418 . 1 1 116 116 GLN HE22 H 1 7.345 0.030 . 2 . . . . 116 GLN HE22 . 10249 1 1419 . 1 1 116 116 GLN HG2 H 1 2.604 0.030 . 2 . . . . 116 GLN HG2 . 10249 1 1420 . 1 1 116 116 GLN HG3 H 1 2.294 0.030 . 2 . . . . 116 GLN HG3 . 10249 1 1421 . 1 1 116 116 GLN C C 13 179.655 0.300 . 1 . . . . 116 GLN C . 10249 1 1422 . 1 1 116 116 GLN CA C 13 59.575 0.300 . 1 . . . . 116 GLN CA . 10249 1 1423 . 1 1 116 116 GLN CB C 13 28.222 0.300 . 1 . . . . 116 GLN CB . 10249 1 1424 . 1 1 116 116 GLN CG C 13 34.730 0.300 . 1 . . . . 116 GLN CG . 10249 1 1425 . 1 1 116 116 GLN N N 15 119.877 0.300 . 1 . . . . 116 GLN N . 10249 1 1426 . 1 1 116 116 GLN NE2 N 15 111.161 0.300 . 1 . . . . 116 GLN NE2 . 10249 1 1427 . 1 1 117 117 MET H H 1 8.279 0.030 . 1 . . . . 117 MET H . 10249 1 1428 . 1 1 117 117 MET HA H 1 4.155 0.030 . 1 . . . . 117 MET HA . 10249 1 1429 . 1 1 117 117 MET HB2 H 1 2.204 0.030 . 1 . . . . 117 MET HB2 . 10249 1 1430 . 1 1 117 117 MET HB3 H 1 2.204 0.030 . 1 . . . . 117 MET HB3 . 10249 1 1431 . 1 1 117 117 MET HE1 H 1 2.060 0.030 . 1 . . . . 117 MET HE . 10249 1 1432 . 1 1 117 117 MET HE2 H 1 2.060 0.030 . 1 . . . . 117 MET HE . 10249 1 1433 . 1 1 117 117 MET HE3 H 1 2.060 0.030 . 1 . . . . 117 MET HE . 10249 1 1434 . 1 1 117 117 MET HG2 H 1 2.686 0.030 . 2 . . . . 117 MET HG2 . 10249 1 1435 . 1 1 117 117 MET HG3 H 1 2.563 0.030 . 2 . . . . 117 MET HG3 . 10249 1 1436 . 1 1 117 117 MET C C 13 179.123 0.300 . 1 . . . . 117 MET C . 10249 1 1437 . 1 1 117 117 MET CA C 13 58.658 0.300 . 1 . . . . 117 MET CA . 10249 1 1438 . 1 1 117 117 MET CB C 13 31.934 0.300 . 1 . . . . 117 MET CB . 10249 1 1439 . 1 1 117 117 MET CE C 13 16.854 0.300 . 1 . . . . 117 MET CE . 10249 1 1440 . 1 1 117 117 MET CG C 13 32.016 0.300 . 1 . . . . 117 MET CG . 10249 1 1441 . 1 1 117 117 MET N N 15 118.855 0.300 . 1 . . . . 117 MET N . 10249 1 1442 . 1 1 118 118 ALA H H 1 8.266 0.030 . 1 . . . . 118 ALA H . 10249 1 1443 . 1 1 118 118 ALA HA H 1 4.240 0.030 . 1 . . . . 118 ALA HA . 10249 1 1444 . 1 1 118 118 ALA HB1 H 1 1.494 0.030 . 1 . . . . 118 ALA HB . 10249 1 1445 . 1 1 118 118 ALA HB2 H 1 1.494 0.030 . 1 . . . . 118 ALA HB . 10249 1 1446 . 1 1 118 118 ALA HB3 H 1 1.494 0.030 . 1 . . . . 118 ALA HB . 10249 1 1447 . 1 1 118 118 ALA C C 13 178.820 0.300 . 1 . . . . 118 ALA C . 10249 1 1448 . 1 1 118 118 ALA CA C 13 54.604 0.300 . 1 . . . . 118 ALA CA . 10249 1 1449 . 1 1 118 118 ALA CB C 13 18.627 0.300 . 1 . . . . 118 ALA CB . 10249 1 1450 . 1 1 118 118 ALA N N 15 121.702 0.300 . 1 . . . . 118 ALA N . 10249 1 1451 . 1 1 119 119 SER H H 1 8.073 0.030 . 1 . . . . 119 SER H . 10249 1 1452 . 1 1 119 119 SER HA H 1 4.027 0.030 . 1 . . . . 119 SER HA . 10249 1 1453 . 1 1 119 119 SER HB2 H 1 4.155 0.030 . 2 . . . . 119 SER HB2 . 10249 1 1454 . 1 1 119 119 SER HB3 H 1 3.874 0.030 . 2 . . . . 119 SER HB3 . 10249 1 1455 . 1 1 119 119 SER C C 13 174.663 0.300 . 1 . . . . 119 SER C . 10249 1 1456 . 1 1 119 119 SER CA C 13 60.122 0.300 . 1 . . . . 119 SER CA . 10249 1 1457 . 1 1 119 119 SER CB C 13 64.299 0.300 . 1 . . . . 119 SER CB . 10249 1 1458 . 1 1 119 119 SER N N 15 110.080 0.300 . 1 . . . . 119 SER N . 10249 1 1459 . 1 1 120 120 ARG H H 1 7.345 0.030 . 1 . . . . 120 ARG H . 10249 1 1460 . 1 1 120 120 ARG HA H 1 4.383 0.030 . 1 . . . . 120 ARG HA . 10249 1 1461 . 1 1 120 120 ARG HB2 H 1 1.955 0.030 . 2 . . . . 120 ARG HB2 . 10249 1 1462 . 1 1 120 120 ARG HB3 H 1 2.016 0.030 . 2 . . . . 120 ARG HB3 . 10249 1 1463 . 1 1 120 120 ARG HD2 H 1 3.234 0.030 . 1 . . . . 120 ARG HD2 . 10249 1 1464 . 1 1 120 120 ARG HD3 H 1 3.234 0.030 . 1 . . . . 120 ARG HD3 . 10249 1 1465 . 1 1 120 120 ARG HG2 H 1 1.793 0.030 . 2 . . . . 120 ARG HG2 . 10249 1 1466 . 1 1 120 120 ARG HG3 H 1 1.747 0.030 . 2 . . . . 120 ARG HG3 . 10249 1 1467 . 1 1 120 120 ARG C C 13 176.372 0.300 . 1 . . . . 120 ARG C . 10249 1 1468 . 1 1 120 120 ARG CA C 13 56.681 0.300 . 1 . . . . 120 ARG CA . 10249 1 1469 . 1 1 120 120 ARG CB C 13 30.248 0.300 . 1 . . . . 120 ARG CB . 10249 1 1470 . 1 1 120 120 ARG CD C 13 43.778 0.300 . 1 . . . . 120 ARG CD . 10249 1 1471 . 1 1 120 120 ARG CG C 13 27.181 0.300 . 1 . . . . 120 ARG CG . 10249 1 1472 . 1 1 120 120 ARG N N 15 120.244 0.300 . 1 . . . . 120 ARG N . 10249 1 1473 . 1 1 121 121 THR H H 1 8.070 0.030 . 1 . . . . 121 THR H . 10249 1 1474 . 1 1 121 121 THR HA H 1 4.365 0.030 . 1 . . . . 121 THR HA . 10249 1 1475 . 1 1 121 121 THR HB H 1 4.283 0.030 . 1 . . . . 121 THR HB . 10249 1 1476 . 1 1 121 121 THR HG21 H 1 1.294 0.030 . 1 . . . . 121 THR HG2 . 10249 1 1477 . 1 1 121 121 THR HG22 H 1 1.294 0.030 . 1 . . . . 121 THR HG2 . 10249 1 1478 . 1 1 121 121 THR HG23 H 1 1.294 0.030 . 1 . . . . 121 THR HG2 . 10249 1 1479 . 1 1 121 121 THR C C 13 175.281 0.300 . 1 . . . . 121 THR C . 10249 1 1480 . 1 1 121 121 THR CA C 13 62.557 0.300 . 1 . . . . 121 THR CA . 10249 1 1481 . 1 1 121 121 THR CB C 13 70.298 0.300 . 1 . . . . 121 THR CB . 10249 1 1482 . 1 1 121 121 THR CG2 C 13 21.817 0.300 . 1 . . . . 121 THR CG2 . 10249 1 1483 . 1 1 121 121 THR N N 15 114.024 0.300 . 1 . . . . 121 THR N . 10249 1 1484 . 1 1 122 122 GLY H H 1 8.520 0.030 . 1 . . . . 122 GLY H . 10249 1 1485 . 1 1 122 122 GLY HA2 H 1 4.005 0.030 . 1 . . . . 122 GLY HA2 . 10249 1 1486 . 1 1 122 122 GLY HA3 H 1 4.005 0.030 . 1 . . . . 122 GLY HA3 . 10249 1 1487 . 1 1 122 122 GLY C C 13 174.118 0.300 . 1 . . . . 122 GLY C . 10249 1 1488 . 1 1 122 122 GLY CA C 13 45.351 0.300 . 1 . . . . 122 GLY CA . 10249 1 1489 . 1 1 122 122 GLY N N 15 111.123 0.300 . 1 . . . . 122 GLY N . 10249 1 1490 . 1 1 123 123 LYS H H 1 8.309 0.030 . 1 . . . . 123 LYS H . 10249 1 1491 . 1 1 123 123 LYS HA H 1 4.364 0.030 . 1 . . . . 123 LYS HA . 10249 1 1492 . 1 1 123 123 LYS HB2 H 1 1.753 0.030 . 2 . . . . 123 LYS HB2 . 10249 1 1493 . 1 1 123 123 LYS HB3 H 1 1.874 0.030 . 2 . . . . 123 LYS HB3 . 10249 1 1494 . 1 1 123 123 LYS HD2 H 1 1.664 0.030 . 1 . . . . 123 LYS HD2 . 10249 1 1495 . 1 1 123 123 LYS HD3 H 1 1.664 0.030 . 1 . . . . 123 LYS HD3 . 10249 1 1496 . 1 1 123 123 LYS HE2 H 1 2.981 0.030 . 1 . . . . 123 LYS HE2 . 10249 1 1497 . 1 1 123 123 LYS HE3 H 1 2.981 0.030 . 1 . . . . 123 LYS HE3 . 10249 1 1498 . 1 1 123 123 LYS HG2 H 1 1.419 0.030 . 1 . . . . 123 LYS HG2 . 10249 1 1499 . 1 1 123 123 LYS HG3 H 1 1.419 0.030 . 1 . . . . 123 LYS HG3 . 10249 1 1500 . 1 1 123 123 LYS C C 13 176.772 0.300 . 1 . . . . 123 LYS C . 10249 1 1501 . 1 1 123 123 LYS CA C 13 56.310 0.300 . 1 . . . . 123 LYS CA . 10249 1 1502 . 1 1 123 123 LYS CB C 13 33.167 0.300 . 1 . . . . 123 LYS CB . 10249 1 1503 . 1 1 123 123 LYS CD C 13 29.055 0.300 . 1 . . . . 123 LYS CD . 10249 1 1504 . 1 1 123 123 LYS CE C 13 42.215 0.300 . 1 . . . . 123 LYS CE . 10249 1 1505 . 1 1 123 123 LYS CG C 13 24.613 0.300 . 1 . . . . 123 LYS CG . 10249 1 1506 . 1 1 123 123 LYS N N 15 121.100 0.300 . 1 . . . . 123 LYS N . 10249 1 1507 . 1 1 124 124 SER H H 1 8.453 0.030 . 1 . . . . 124 SER H . 10249 1 1508 . 1 1 124 124 SER HA H 1 4.489 0.030 . 1 . . . . 124 SER HA . 10249 1 1509 . 1 1 124 124 SER C C 13 174.518 0.300 . 1 . . . . 124 SER C . 10249 1 1510 . 1 1 124 124 SER CA C 13 58.357 0.300 . 1 . . . . 124 SER CA . 10249 1 1511 . 1 1 124 124 SER CB C 13 64.052 0.300 . 1 . . . . 124 SER CB . 10249 1 1512 . 1 1 124 124 SER N N 15 117.316 0.300 . 1 . . . . 124 SER N . 10249 1 1513 . 1 1 125 125 GLY H H 1 8.278 0.030 . 1 . . . . 125 GLY H . 10249 1 1514 . 1 1 125 125 GLY HA2 H 1 4.154 0.030 . 2 . . . . 125 GLY HA2 . 10249 1 1515 . 1 1 125 125 GLY HA3 H 1 4.102 0.030 . 2 . . . . 125 GLY HA3 . 10249 1 1516 . 1 1 125 125 GLY C C 13 171.827 0.300 . 1 . . . . 125 GLY C . 10249 1 1517 . 1 1 125 125 GLY CA C 13 44.680 0.300 . 1 . . . . 125 GLY CA . 10249 1 1518 . 1 1 125 125 GLY N N 15 110.670 0.300 . 1 . . . . 125 GLY N . 10249 1 1519 . 1 1 126 126 PRO HA H 1 4.461 0.030 . 1 . . . . 126 PRO HA . 10249 1 1520 . 1 1 126 126 PRO HB2 H 1 2.290 0.030 . 2 . . . . 126 PRO HB2 . 10249 1 1521 . 1 1 126 126 PRO HB3 H 1 1.958 0.030 . 2 . . . . 126 PRO HB3 . 10249 1 1522 . 1 1 126 126 PRO HD2 H 1 3.631 0.030 . 1 . . . . 126 PRO HD2 . 10249 1 1523 . 1 1 126 126 PRO HD3 H 1 3.631 0.030 . 1 . . . . 126 PRO HD3 . 10249 1 1524 . 1 1 126 126 PRO HG2 H 1 2.014 0.030 . 1 . . . . 126 PRO HG2 . 10249 1 1525 . 1 1 126 126 PRO HG3 H 1 2.014 0.030 . 1 . . . . 126 PRO HG3 . 10249 1 1526 . 1 1 126 126 PRO C C 13 177.426 0.300 . 1 . . . . 126 PRO C . 10249 1 1527 . 1 1 126 126 PRO CA C 13 63.281 0.300 . 1 . . . . 126 PRO CA . 10249 1 1528 . 1 1 126 126 PRO CB C 13 32.263 0.300 . 1 . . . . 126 PRO CB . 10249 1 1529 . 1 1 126 126 PRO CD C 13 49.946 0.300 . 1 . . . . 126 PRO CD . 10249 1 1530 . 1 1 126 126 PRO CG C 13 27.163 0.300 . 1 . . . . 126 PRO CG . 10249 1 1531 . 1 1 127 127 SER H H 1 8.556 0.030 . 1 . . . . 127 SER H . 10249 1 1532 . 1 1 127 127 SER HA H 1 4.489 0.030 . 1 . . . . 127 SER HA . 10249 1 1533 . 1 1 127 127 SER HB2 H 1 3.894 0.030 . 1 . . . . 127 SER HB2 . 10249 1 1534 . 1 1 127 127 SER HB3 H 1 3.894 0.030 . 1 . . . . 127 SER HB3 . 10249 1 1535 . 1 1 127 127 SER C C 13 174.651 0.300 . 1 . . . . 127 SER C . 10249 1 1536 . 1 1 127 127 SER CA C 13 58.410 0.300 . 1 . . . . 127 SER CA . 10249 1 1537 . 1 1 127 127 SER CB C 13 63.682 0.300 . 1 . . . . 127 SER CB . 10249 1 1538 . 1 1 127 127 SER N N 15 116.423 0.300 . 1 . . . . 127 SER N . 10249 1 1539 . 1 1 128 128 SER H H 1 8.313 0.030 . 1 . . . . 128 SER H . 10249 1 1540 . 1 1 128 128 SER HA H 1 4.489 0.030 . 1 . . . . 128 SER HA . 10249 1 1541 . 1 1 128 128 SER HB2 H 1 3.866 0.030 . 1 . . . . 128 SER HB2 . 10249 1 1542 . 1 1 128 128 SER HB3 H 1 3.866 0.030 . 1 . . . . 128 SER HB3 . 10249 1 1543 . 1 1 128 128 SER C C 13 173.936 0.300 . 1 . . . . 128 SER C . 10249 1 1544 . 1 1 128 128 SER CA C 13 58.393 0.300 . 1 . . . . 128 SER CA . 10249 1 1545 . 1 1 128 128 SER CB C 13 64.052 0.300 . 1 . . . . 128 SER CB . 10249 1 1546 . 1 1 128 128 SER N N 15 117.750 0.300 . 1 . . . . 128 SER N . 10249 1 1547 . 1 1 129 129 GLY H H 1 8.054 0.030 . 1 . . . . 129 GLY H . 10249 1 1548 . 1 1 129 129 GLY C C 13 179.001 0.300 . 1 . . . . 129 GLY C . 10249 1 1549 . 1 1 129 129 GLY CA C 13 46.163 0.300 . 1 . . . . 129 GLY CA . 10249 1 1550 . 1 1 129 129 GLY N N 15 116.843 0.300 . 1 . . . . 129 GLY N . 10249 1 stop_ save_