data_10142 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10142 _Entry.Title ; Solution structure of the N-terminal extended 20th Filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-12-04 _Entry.Accession_date 2007-12-05 _Entry.Last_release_date 2008-12-10 _Entry.Original_release_date 2008-12-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 T. Tomizawa . . . 10142 2 S. Koshiba . . . 10142 3 S. Watanabe . . . 10142 4 T. Harada . . . 10142 5 T. Kigawa . . . 10142 6 S. Yokoyama . . . 10142 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10142 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 427 10142 '15N chemical shifts' 96 10142 '1H chemical shifts' 670 10142 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-12-10 2007-12-04 original author . 10142 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2E9I 'BMRB Entry Tracking System' 10142 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10142 _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 N-terminal extended 20th Filamin domain from human Filamin-B ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 10142 1 2 S. Koshiba . . . 10142 1 3 S. Watanabe . . . 10142 1 4 T. Harada . . . 10142 1 5 T. Kigawa . . . 10142 1 6 S. Yokoyama . . . 10142 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10142 _Assembly.ID 1 _Assembly.Name Filamin-B _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 Filamin-B 1 $entity_1 . . yes native no no . . . 10142 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 2E9I . . . . . . 10142 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10142 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'filamin 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 ; GSSGSSGRVKESITRTSRAP SVATVGSICDLNLKIPEINS SDMSAHVTSPSGRVTEAEIV PMGKNSHCVRFVPQEMGVHT VSVKYRGQHVTGSPFQFTVG PLGEGG ; _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 106 _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 2E9I . "Solution Structure Of The N-Terminal Extended 20th Filamin Domain From Human Filamin-B" . . . . . 100.00 106 100.00 100.00 2.10e-68 . . . . 10142 1 2 no GB AAL68442 . "filamin B [Homo sapiens]" . . . . . 87.74 133 100.00 100.00 8.69e-59 . . . . 10142 1 3 no GB AAL68443 . "filamin B variant 1 [Homo sapiens]" . . . . . 61.32 92 98.46 100.00 9.46e-38 . . . . 10142 1 4 no REF XP_006040270 . "PREDICTED: filamin-B-like isoform X1 [Bubalus bubalis]" . . . . . 66.04 179 97.14 100.00 2.81e-39 . . . . 10142 1 5 no REF XP_006040272 . "PREDICTED: filamin-B-like [Bubalus bubalis]" . . . . . 66.04 254 97.14 100.00 1.73e-38 . . . . 10142 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'filamin domain' . 10142 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 . 10142 1 2 . SER . 10142 1 3 . SER . 10142 1 4 . GLY . 10142 1 5 . SER . 10142 1 6 . SER . 10142 1 7 . GLY . 10142 1 8 . ARG . 10142 1 9 . VAL . 10142 1 10 . LYS . 10142 1 11 . GLU . 10142 1 12 . SER . 10142 1 13 . ILE . 10142 1 14 . THR . 10142 1 15 . ARG . 10142 1 16 . THR . 10142 1 17 . SER . 10142 1 18 . ARG . 10142 1 19 . ALA . 10142 1 20 . PRO . 10142 1 21 . SER . 10142 1 22 . VAL . 10142 1 23 . ALA . 10142 1 24 . THR . 10142 1 25 . VAL . 10142 1 26 . GLY . 10142 1 27 . SER . 10142 1 28 . ILE . 10142 1 29 . CYS . 10142 1 30 . ASP . 10142 1 31 . LEU . 10142 1 32 . ASN . 10142 1 33 . LEU . 10142 1 34 . LYS . 10142 1 35 . ILE . 10142 1 36 . PRO . 10142 1 37 . GLU . 10142 1 38 . ILE . 10142 1 39 . ASN . 10142 1 40 . SER . 10142 1 41 . SER . 10142 1 42 . ASP . 10142 1 43 . MET . 10142 1 44 . SER . 10142 1 45 . ALA . 10142 1 46 . HIS . 10142 1 47 . VAL . 10142 1 48 . THR . 10142 1 49 . SER . 10142 1 50 . PRO . 10142 1 51 . SER . 10142 1 52 . GLY . 10142 1 53 . ARG . 10142 1 54 . VAL . 10142 1 55 . THR . 10142 1 56 . GLU . 10142 1 57 . ALA . 10142 1 58 . GLU . 10142 1 59 . ILE . 10142 1 60 . VAL . 10142 1 61 . PRO . 10142 1 62 . MET . 10142 1 63 . GLY . 10142 1 64 . LYS . 10142 1 65 . ASN . 10142 1 66 . SER . 10142 1 67 . HIS . 10142 1 68 . CYS . 10142 1 69 . VAL . 10142 1 70 . ARG . 10142 1 71 . PHE . 10142 1 72 . VAL . 10142 1 73 . PRO . 10142 1 74 . GLN . 10142 1 75 . GLU . 10142 1 76 . MET . 10142 1 77 . GLY . 10142 1 78 . VAL . 10142 1 79 . HIS . 10142 1 80 . THR . 10142 1 81 . VAL . 10142 1 82 . SER . 10142 1 83 . VAL . 10142 1 84 . LYS . 10142 1 85 . TYR . 10142 1 86 . ARG . 10142 1 87 . GLY . 10142 1 88 . GLN . 10142 1 89 . HIS . 10142 1 90 . VAL . 10142 1 91 . THR . 10142 1 92 . GLY . 10142 1 93 . SER . 10142 1 94 . PRO . 10142 1 95 . PHE . 10142 1 96 . GLN . 10142 1 97 . PHE . 10142 1 98 . THR . 10142 1 99 . VAL . 10142 1 100 . GLY . 10142 1 101 . PRO . 10142 1 102 . LEU . 10142 1 103 . GLY . 10142 1 104 . GLU . 10142 1 105 . GLY . 10142 1 106 . GLY . 10142 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 10142 1 . SER 2 2 10142 1 . SER 3 3 10142 1 . GLY 4 4 10142 1 . SER 5 5 10142 1 . SER 6 6 10142 1 . GLY 7 7 10142 1 . ARG 8 8 10142 1 . VAL 9 9 10142 1 . LYS 10 10 10142 1 . GLU 11 11 10142 1 . SER 12 12 10142 1 . ILE 13 13 10142 1 . THR 14 14 10142 1 . ARG 15 15 10142 1 . THR 16 16 10142 1 . SER 17 17 10142 1 . ARG 18 18 10142 1 . ALA 19 19 10142 1 . PRO 20 20 10142 1 . SER 21 21 10142 1 . VAL 22 22 10142 1 . ALA 23 23 10142 1 . THR 24 24 10142 1 . VAL 25 25 10142 1 . GLY 26 26 10142 1 . SER 27 27 10142 1 . ILE 28 28 10142 1 . CYS 29 29 10142 1 . ASP 30 30 10142 1 . LEU 31 31 10142 1 . ASN 32 32 10142 1 . LEU 33 33 10142 1 . LYS 34 34 10142 1 . ILE 35 35 10142 1 . PRO 36 36 10142 1 . GLU 37 37 10142 1 . ILE 38 38 10142 1 . ASN 39 39 10142 1 . SER 40 40 10142 1 . SER 41 41 10142 1 . ASP 42 42 10142 1 . MET 43 43 10142 1 . SER 44 44 10142 1 . ALA 45 45 10142 1 . HIS 46 46 10142 1 . VAL 47 47 10142 1 . THR 48 48 10142 1 . SER 49 49 10142 1 . PRO 50 50 10142 1 . SER 51 51 10142 1 . GLY 52 52 10142 1 . ARG 53 53 10142 1 . VAL 54 54 10142 1 . THR 55 55 10142 1 . GLU 56 56 10142 1 . ALA 57 57 10142 1 . GLU 58 58 10142 1 . ILE 59 59 10142 1 . VAL 60 60 10142 1 . PRO 61 61 10142 1 . MET 62 62 10142 1 . GLY 63 63 10142 1 . LYS 64 64 10142 1 . ASN 65 65 10142 1 . SER 66 66 10142 1 . HIS 67 67 10142 1 . CYS 68 68 10142 1 . VAL 69 69 10142 1 . ARG 70 70 10142 1 . PHE 71 71 10142 1 . VAL 72 72 10142 1 . PRO 73 73 10142 1 . GLN 74 74 10142 1 . GLU 75 75 10142 1 . MET 76 76 10142 1 . GLY 77 77 10142 1 . VAL 78 78 10142 1 . HIS 79 79 10142 1 . THR 80 80 10142 1 . VAL 81 81 10142 1 . SER 82 82 10142 1 . VAL 83 83 10142 1 . LYS 84 84 10142 1 . TYR 85 85 10142 1 . ARG 86 86 10142 1 . GLY 87 87 10142 1 . GLN 88 88 10142 1 . HIS 89 89 10142 1 . VAL 90 90 10142 1 . THR 91 91 10142 1 . GLY 92 92 10142 1 . SER 93 93 10142 1 . PRO 94 94 10142 1 . PHE 95 95 10142 1 . GLN 96 96 10142 1 . PHE 97 97 10142 1 . THR 98 98 10142 1 . VAL 99 99 10142 1 . GLY 100 100 10142 1 . PRO 101 101 10142 1 . LEU 102 102 10142 1 . GLY 103 103 10142 1 . GLU 104 104 10142 1 . GLY 105 105 10142 1 . GLY 106 106 10142 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 10142 _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 . . . . . . . . . . . . . . . . . . . . . 10142 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 10142 _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 . . P060515-02 . . . . . . 10142 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10142 _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 'filamin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.53 . . mM . . . . 10142 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10142 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10142 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10142 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10142 1 6 H2O . . . . . . solvent 90 . . % . . . . 10142 1 7 D2O . . . . . . solvent 10 . . % . . . . 10142 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 10142 _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 10142 1 pH 7.0 0.05 pH 10142 1 pressure 1 0.001 atm 10142 1 temperature 296 0.1 K 10142 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10142 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10142 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10142 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10142 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060524 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10142 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10142 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10142 _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.' . . 10142 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10142 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10142 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10142 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10142 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10142 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10142 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10142 5 'structure solution' 10142 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 10142 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 10142 _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 II' . 900 . . . 10142 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 10142 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10142 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10142 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 10142 _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 . . . . . . . . . 10142 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10142 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10142 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 10142 _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 10142 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10142 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY CA C 13 45.415 0.300 . 1 . . . . 7 GLY CA . 10142 1 2 . 1 1 7 7 GLY HA3 H 1 3.972 0.030 . 1 . . . . 7 GLY HA3 . 10142 1 3 . 1 1 7 7 GLY C C 13 174.102 0.300 . 1 . . . . 7 GLY C . 10142 1 4 . 1 1 7 7 GLY HA2 H 1 3.972 0.030 . 1 . . . . 7 GLY HA2 . 10142 1 5 . 1 1 8 8 ARG N N 15 120.724 0.300 . 1 . . . . 8 ARG N . 10142 1 6 . 1 1 8 8 ARG H H 1 8.124 0.030 . 1 . . . . 8 ARG H . 10142 1 7 . 1 1 8 8 ARG CA C 13 56.123 0.300 . 1 . . . . 8 ARG CA . 10142 1 8 . 1 1 8 8 ARG HA H 1 4.363 0.030 . 1 . . . . 8 ARG HA . 10142 1 9 . 1 1 8 8 ARG CB C 13 30.881 0.300 . 1 . . . . 8 ARG CB . 10142 1 10 . 1 1 8 8 ARG HB3 H 1 1.817 0.030 . 2 . . . . 8 ARG HB3 . 10142 1 11 . 1 1 8 8 ARG CG C 13 26.969 0.300 . 1 . . . . 8 ARG CG . 10142 1 12 . 1 1 8 8 ARG HG3 H 1 1.601 0.030 . 1 . . . . 8 ARG HG3 . 10142 1 13 . 1 1 8 8 ARG CD C 13 43.361 0.300 . 1 . . . . 8 ARG CD . 10142 1 14 . 1 1 8 8 ARG HD3 H 1 3.194 0.030 . 1 . . . . 8 ARG HD3 . 10142 1 15 . 1 1 8 8 ARG C C 13 176.487 0.300 . 1 . . . . 8 ARG C . 10142 1 16 . 1 1 8 8 ARG HB2 H 1 1.728 0.030 . 2 . . . . 8 ARG HB2 . 10142 1 17 . 1 1 8 8 ARG HD2 H 1 3.194 0.030 . 1 . . . . 8 ARG HD2 . 10142 1 18 . 1 1 8 8 ARG HG2 H 1 1.601 0.030 . 1 . . . . 8 ARG HG2 . 10142 1 19 . 1 1 9 9 VAL N N 15 121.839 0.300 . 1 . . . . 9 VAL N . 10142 1 20 . 1 1 9 9 VAL H H 1 8.204 0.030 . 1 . . . . 9 VAL H . 10142 1 21 . 1 1 9 9 VAL CA C 13 62.438 0.300 . 1 . . . . 9 VAL CA . 10142 1 22 . 1 1 9 9 VAL HA H 1 4.081 0.030 . 1 . . . . 9 VAL HA . 10142 1 23 . 1 1 9 9 VAL CB C 13 32.773 0.300 . 1 . . . . 9 VAL CB . 10142 1 24 . 1 1 9 9 VAL HB H 1 2.066 0.030 . 1 . . . . 9 VAL HB . 10142 1 25 . 1 1 9 9 VAL CG1 C 13 20.669 0.300 . 1 . . . . 9 VAL CG1 . 10142 1 26 . 1 1 9 9 VAL HG11 H 1 0.943 0.030 . 1 . . . . 9 VAL HG1 . 10142 1 27 . 1 1 9 9 VAL HG12 H 1 0.943 0.030 . 1 . . . . 9 VAL HG1 . 10142 1 28 . 1 1 9 9 VAL HG13 H 1 0.943 0.030 . 1 . . . . 9 VAL HG1 . 10142 1 29 . 1 1 9 9 VAL CG2 C 13 20.669 0.300 . 1 . . . . 9 VAL CG2 . 10142 1 30 . 1 1 9 9 VAL HG21 H 1 0.943 0.030 . 1 . . . . 9 VAL HG2 . 10142 1 31 . 1 1 9 9 VAL HG22 H 1 0.943 0.030 . 1 . . . . 9 VAL HG2 . 10142 1 32 . 1 1 9 9 VAL HG23 H 1 0.943 0.030 . 1 . . . . 9 VAL HG2 . 10142 1 33 . 1 1 9 9 VAL C C 13 176.204 0.300 . 1 . . . . 9 VAL C . 10142 1 34 . 1 1 10 10 LYS N N 15 125.552 0.300 . 1 . . . . 10 LYS N . 10142 1 35 . 1 1 10 10 LYS H H 1 8.437 0.030 . 1 . . . . 10 LYS H . 10142 1 36 . 1 1 10 10 LYS CA C 13 56.575 0.300 . 1 . . . . 10 LYS CA . 10142 1 37 . 1 1 10 10 LYS HA H 1 4.280 0.030 . 1 . . . . 10 LYS HA . 10142 1 38 . 1 1 10 10 LYS CB C 13 33.046 0.300 . 1 . . . . 10 LYS CB . 10142 1 39 . 1 1 10 10 LYS HB3 H 1 1.827 0.030 . 2 . . . . 10 LYS HB3 . 10142 1 40 . 1 1 10 10 LYS CG C 13 24.732 0.300 . 1 . . . . 10 LYS CG . 10142 1 41 . 1 1 10 10 LYS HG3 H 1 1.415 0.030 . 1 . . . . 10 LYS HG3 . 10142 1 42 . 1 1 10 10 LYS CD C 13 29.132 0.300 . 1 . . . . 10 LYS CD . 10142 1 43 . 1 1 10 10 LYS HD3 H 1 1.680 0.030 . 1 . . . . 10 LYS HD3 . 10142 1 44 . 1 1 10 10 LYS CE C 13 42.151 0.300 . 1 . . . . 10 LYS CE . 10142 1 45 . 1 1 10 10 LYS HE3 H 1 2.987 0.030 . 1 . . . . 10 LYS HE3 . 10142 1 46 . 1 1 10 10 LYS C C 13 176.486 0.300 . 1 . . . . 10 LYS C . 10142 1 47 . 1 1 10 10 LYS HB2 H 1 1.760 0.030 . 2 . . . . 10 LYS HB2 . 10142 1 48 . 1 1 10 10 LYS HD2 H 1 1.680 0.030 . 1 . . . . 10 LYS HD2 . 10142 1 49 . 1 1 10 10 LYS HE2 H 1 2.987 0.030 . 1 . . . . 10 LYS HE2 . 10142 1 50 . 1 1 10 10 LYS HG2 H 1 1.415 0.030 . 1 . . . . 10 LYS HG2 . 10142 1 51 . 1 1 11 11 GLU N N 15 122.741 0.300 . 1 . . . . 11 GLU N . 10142 1 52 . 1 1 11 11 GLU H H 1 8.490 0.030 . 1 . . . . 11 GLU H . 10142 1 53 . 1 1 11 11 GLU CA C 13 56.717 0.300 . 1 . . . . 11 GLU CA . 10142 1 54 . 1 1 11 11 GLU HA H 1 4.303 0.030 . 1 . . . . 11 GLU HA . 10142 1 55 . 1 1 11 11 GLU CB C 13 30.422 0.300 . 1 . . . . 11 GLU CB . 10142 1 56 . 1 1 11 11 GLU HB3 H 1 2.051 0.030 . 2 . . . . 11 GLU HB3 . 10142 1 57 . 1 1 11 11 GLU CG C 13 36.307 0.300 . 1 . . . . 11 GLU CG . 10142 1 58 . 1 1 11 11 GLU HG3 H 1 2.281 0.030 . 1 . . . . 11 GLU HG3 . 10142 1 59 . 1 1 11 11 GLU C C 13 176.428 0.300 . 1 . . . . 11 GLU C . 10142 1 60 . 1 1 11 11 GLU HB2 H 1 1.948 0.030 . 2 . . . . 11 GLU HB2 . 10142 1 61 . 1 1 11 11 GLU HG2 H 1 2.281 0.030 . 1 . . . . 11 GLU HG2 . 10142 1 62 . 1 1 12 12 SER N N 15 117.227 0.300 . 1 . . . . 12 SER N . 10142 1 63 . 1 1 12 12 SER H H 1 8.434 0.030 . 1 . . . . 12 SER H . 10142 1 64 . 1 1 12 12 SER CA C 13 58.340 0.300 . 1 . . . . 12 SER CA . 10142 1 65 . 1 1 12 12 SER HA H 1 4.477 0.030 . 1 . . . . 12 SER HA . 10142 1 66 . 1 1 12 12 SER CB C 13 63.670 0.300 . 1 . . . . 12 SER CB . 10142 1 67 . 1 1 12 12 SER HB3 H 1 3.862 0.030 . 1 . . . . 12 SER HB3 . 10142 1 68 . 1 1 12 12 SER C C 13 174.574 0.300 . 1 . . . . 12 SER C . 10142 1 69 . 1 1 12 12 SER HB2 H 1 3.862 0.030 . 1 . . . . 12 SER HB2 . 10142 1 70 . 1 1 13 13 ILE N N 15 122.704 0.300 . 1 . . . . 13 ILE N . 10142 1 71 . 1 1 13 13 ILE H H 1 8.189 0.030 . 1 . . . . 13 ILE H . 10142 1 72 . 1 1 13 13 ILE CA C 13 61.364 0.300 . 1 . . . . 13 ILE CA . 10142 1 73 . 1 1 13 13 ILE HA H 1 4.270 0.030 . 1 . . . . 13 ILE HA . 10142 1 74 . 1 1 13 13 ILE CB C 13 38.870 0.300 . 1 . . . . 13 ILE CB . 10142 1 75 . 1 1 13 13 ILE HB H 1 1.897 0.030 . 1 . . . . 13 ILE HB . 10142 1 76 . 1 1 13 13 ILE CG1 C 13 27.348 0.300 . 1 . . . . 13 ILE CG1 . 10142 1 77 . 1 1 13 13 ILE HG13 H 1 1.189 0.030 . 2 . . . . 13 ILE HG13 . 10142 1 78 . 1 1 13 13 ILE CG2 C 13 17.594 0.300 . 1 . . . . 13 ILE CG2 . 10142 1 79 . 1 1 13 13 ILE HG21 H 1 0.902 0.030 . 1 . . . . 13 ILE HG2 . 10142 1 80 . 1 1 13 13 ILE HG22 H 1 0.902 0.030 . 1 . . . . 13 ILE HG2 . 10142 1 81 . 1 1 13 13 ILE HG23 H 1 0.902 0.030 . 1 . . . . 13 ILE HG2 . 10142 1 82 . 1 1 13 13 ILE CD1 C 13 13.135 0.300 . 1 . . . . 13 ILE CD1 . 10142 1 83 . 1 1 13 13 ILE HD11 H 1 0.859 0.030 . 1 . . . . 13 ILE HD1 . 10142 1 84 . 1 1 13 13 ILE HD12 H 1 0.859 0.030 . 1 . . . . 13 ILE HD1 . 10142 1 85 . 1 1 13 13 ILE HD13 H 1 0.859 0.030 . 1 . . . . 13 ILE HD1 . 10142 1 86 . 1 1 13 13 ILE C C 13 176.445 0.300 . 1 . . . . 13 ILE C . 10142 1 87 . 1 1 13 13 ILE HG12 H 1 1.472 0.030 . 2 . . . . 13 ILE HG12 . 10142 1 88 . 1 1 14 14 THR N N 15 118.671 0.300 . 1 . . . . 14 THR N . 10142 1 89 . 1 1 14 14 THR H H 1 8.265 0.030 . 1 . . . . 14 THR H . 10142 1 90 . 1 1 14 14 THR CA C 13 62.080 0.300 . 1 . . . . 14 THR CA . 10142 1 91 . 1 1 14 14 THR HA H 1 4.338 0.030 . 1 . . . . 14 THR HA . 10142 1 92 . 1 1 14 14 THR CB C 13 69.779 0.300 . 1 . . . . 14 THR CB . 10142 1 93 . 1 1 14 14 THR HB H 1 4.174 0.030 . 1 . . . . 14 THR HB . 10142 1 94 . 1 1 14 14 THR CG2 C 13 21.693 0.300 . 1 . . . . 14 THR CG2 . 10142 1 95 . 1 1 14 14 THR HG21 H 1 1.195 0.030 . 1 . . . . 14 THR HG2 . 10142 1 96 . 1 1 14 14 THR HG22 H 1 1.195 0.030 . 1 . . . . 14 THR HG2 . 10142 1 97 . 1 1 14 14 THR HG23 H 1 1.195 0.030 . 1 . . . . 14 THR HG2 . 10142 1 98 . 1 1 14 14 THR C C 13 174.465 0.300 . 1 . . . . 14 THR C . 10142 1 99 . 1 1 15 15 ARG N N 15 124.132 0.300 . 1 . . . . 15 ARG N . 10142 1 100 . 1 1 15 15 ARG H H 1 8.428 0.030 . 1 . . . . 15 ARG H . 10142 1 101 . 1 1 15 15 ARG CA C 13 56.221 0.300 . 1 . . . . 15 ARG CA . 10142 1 102 . 1 1 15 15 ARG HA H 1 4.447 0.030 . 1 . . . . 15 ARG HA . 10142 1 103 . 1 1 15 15 ARG CB C 13 30.949 0.300 . 1 . . . . 15 ARG CB . 10142 1 104 . 1 1 15 15 ARG HB3 H 1 1.798 0.030 . 2 . . . . 15 ARG HB3 . 10142 1 105 . 1 1 15 15 ARG CG C 13 27.019 0.300 . 1 . . . . 15 ARG CG . 10142 1 106 . 1 1 15 15 ARG HG3 H 1 1.635 0.030 . 2 . . . . 15 ARG HG3 . 10142 1 107 . 1 1 15 15 ARG CD C 13 43.381 0.300 . 1 . . . . 15 ARG CD . 10142 1 108 . 1 1 15 15 ARG HD3 H 1 3.197 0.030 . 1 . . . . 15 ARG HD3 . 10142 1 109 . 1 1 15 15 ARG C C 13 176.374 0.300 . 1 . . . . 15 ARG C . 10142 1 110 . 1 1 15 15 ARG HB2 H 1 1.894 0.030 . 2 . . . . 15 ARG HB2 . 10142 1 111 . 1 1 15 15 ARG HD2 H 1 3.197 0.030 . 1 . . . . 15 ARG HD2 . 10142 1 112 . 1 1 15 15 ARG HG2 H 1 1.646 0.030 . 2 . . . . 15 ARG HG2 . 10142 1 113 . 1 1 16 16 THR N N 15 115.339 0.300 . 1 . . . . 16 THR N . 10142 1 114 . 1 1 16 16 THR H H 1 8.232 0.030 . 1 . . . . 16 THR H . 10142 1 115 . 1 1 16 16 THR CA C 13 61.828 0.300 . 1 . . . . 16 THR CA . 10142 1 116 . 1 1 16 16 THR HA H 1 4.389 0.030 . 1 . . . . 16 THR HA . 10142 1 117 . 1 1 16 16 THR CB C 13 69.896 0.300 . 1 . . . . 16 THR CB . 10142 1 118 . 1 1 16 16 THR HB H 1 4.251 0.030 . 1 . . . . 16 THR HB . 10142 1 119 . 1 1 16 16 THR CG2 C 13 21.638 0.300 . 1 . . . . 16 THR CG2 . 10142 1 120 . 1 1 16 16 THR HG21 H 1 1.210 0.030 . 1 . . . . 16 THR HG2 . 10142 1 121 . 1 1 16 16 THR HG22 H 1 1.210 0.030 . 1 . . . . 16 THR HG2 . 10142 1 122 . 1 1 16 16 THR HG23 H 1 1.210 0.030 . 1 . . . . 16 THR HG2 . 10142 1 123 . 1 1 16 16 THR C C 13 174.518 0.300 . 1 . . . . 16 THR C . 10142 1 124 . 1 1 17 17 SER N N 15 118.278 0.300 . 1 . . . . 17 SER N . 10142 1 125 . 1 1 17 17 SER H H 1 8.331 0.030 . 1 . . . . 17 SER H . 10142 1 126 . 1 1 17 17 SER CA C 13 58.326 0.300 . 1 . . . . 17 SER CA . 10142 1 127 . 1 1 17 17 SER HA H 1 4.500 0.030 . 1 . . . . 17 SER HA . 10142 1 128 . 1 1 17 17 SER CB C 13 63.918 0.300 . 1 . . . . 17 SER CB . 10142 1 129 . 1 1 17 17 SER HB3 H 1 3.869 0.030 . 1 . . . . 17 SER HB3 . 10142 1 130 . 1 1 17 17 SER C C 13 174.172 0.300 . 1 . . . . 17 SER C . 10142 1 131 . 1 1 17 17 SER HB2 H 1 3.869 0.030 . 1 . . . . 17 SER HB2 . 10142 1 132 . 1 1 18 18 ARG N N 15 122.935 0.300 . 1 . . . . 18 ARG N . 10142 1 133 . 1 1 18 18 ARG H H 1 8.376 0.030 . 1 . . . . 18 ARG H . 10142 1 134 . 1 1 18 18 ARG CA C 13 55.772 0.300 . 1 . . . . 18 ARG CA . 10142 1 135 . 1 1 18 18 ARG HA H 1 4.386 0.030 . 1 . . . . 18 ARG HA . 10142 1 136 . 1 1 18 18 ARG CB C 13 31.073 0.300 . 1 . . . . 18 ARG CB . 10142 1 137 . 1 1 18 18 ARG HB3 H 1 1.857 0.030 . 2 . . . . 18 ARG HB3 . 10142 1 138 . 1 1 18 18 ARG CG C 13 26.886 0.300 . 1 . . . . 18 ARG CG . 10142 1 139 . 1 1 18 18 ARG HG3 H 1 1.636 0.030 . 1 . . . . 18 ARG HG3 . 10142 1 140 . 1 1 18 18 ARG CD C 13 43.372 0.300 . 1 . . . . 18 ARG CD . 10142 1 141 . 1 1 18 18 ARG HD3 H 1 3.196 0.030 . 1 . . . . 18 ARG HD3 . 10142 1 142 . 1 1 18 18 ARG C C 13 175.493 0.300 . 1 . . . . 18 ARG C . 10142 1 143 . 1 1 18 18 ARG HB2 H 1 1.744 0.030 . 2 . . . . 18 ARG HB2 . 10142 1 144 . 1 1 18 18 ARG HD2 H 1 3.196 0.030 . 1 . . . . 18 ARG HD2 . 10142 1 145 . 1 1 18 18 ARG HG2 H 1 1.636 0.030 . 1 . . . . 18 ARG HG2 . 10142 1 146 . 1 1 19 19 ALA N N 15 126.804 0.300 . 1 . . . . 19 ALA N . 10142 1 147 . 1 1 19 19 ALA H H 1 8.357 0.030 . 1 . . . . 19 ALA H . 10142 1 148 . 1 1 19 19 ALA CA C 13 50.553 0.300 . 1 . . . . 19 ALA CA . 10142 1 149 . 1 1 19 19 ALA HA H 1 4.585 0.030 . 1 . . . . 19 ALA HA . 10142 1 150 . 1 1 19 19 ALA CB C 13 18.208 0.300 . 1 . . . . 19 ALA CB . 10142 1 151 . 1 1 19 19 ALA HB1 H 1 1.381 0.030 . 1 . . . . 19 ALA HB . 10142 1 152 . 1 1 19 19 ALA HB2 H 1 1.381 0.030 . 1 . . . . 19 ALA HB . 10142 1 153 . 1 1 19 19 ALA HB3 H 1 1.381 0.030 . 1 . . . . 19 ALA HB . 10142 1 154 . 1 1 19 19 ALA C C 13 175.408 0.300 . 1 . . . . 19 ALA C . 10142 1 155 . 1 1 20 20 PRO CA C 13 63.352 0.300 . 1 . . . . 20 PRO CA . 10142 1 156 . 1 1 20 20 PRO HA H 1 4.455 0.030 . 1 . . . . 20 PRO HA . 10142 1 157 . 1 1 20 20 PRO CB C 13 32.196 0.300 . 1 . . . . 20 PRO CB . 10142 1 158 . 1 1 20 20 PRO HB3 H 1 1.890 0.030 . 1 . . . . 20 PRO HB3 . 10142 1 159 . 1 1 20 20 PRO CG C 13 27.597 0.300 . 1 . . . . 20 PRO CG . 10142 1 160 . 1 1 20 20 PRO HG3 H 1 1.940 0.030 . 2 . . . . 20 PRO HG3 . 10142 1 161 . 1 1 20 20 PRO CD C 13 50.434 0.300 . 1 . . . . 20 PRO CD . 10142 1 162 . 1 1 20 20 PRO HD3 H 1 3.730 0.030 . 2 . . . . 20 PRO HD3 . 10142 1 163 . 1 1 20 20 PRO C C 13 176.846 0.300 . 1 . . . . 20 PRO C . 10142 1 164 . 1 1 20 20 PRO HB2 H 1 1.890 0.030 . 1 . . . . 20 PRO HB2 . 10142 1 165 . 1 1 20 20 PRO HD2 H 1 3.616 0.030 . 2 . . . . 20 PRO HD2 . 10142 1 166 . 1 1 20 20 PRO HG2 H 1 1.915 0.030 . 2 . . . . 20 PRO HG2 . 10142 1 167 . 1 1 21 21 SER N N 15 116.414 0.300 . 1 . . . . 21 SER N . 10142 1 168 . 1 1 21 21 SER H H 1 8.449 0.030 . 1 . . . . 21 SER H . 10142 1 169 . 1 1 21 21 SER CA C 13 58.507 0.300 . 1 . . . . 21 SER CA . 10142 1 170 . 1 1 21 21 SER HA H 1 4.475 0.030 . 1 . . . . 21 SER HA . 10142 1 171 . 1 1 21 21 SER CB C 13 63.851 0.300 . 1 . . . . 21 SER CB . 10142 1 172 . 1 1 21 21 SER HB3 H 1 3.862 0.030 . 1 . . . . 21 SER HB3 . 10142 1 173 . 1 1 21 21 SER C C 13 174.344 0.300 . 1 . . . . 21 SER C . 10142 1 174 . 1 1 21 21 SER HB2 H 1 3.862 0.030 . 1 . . . . 21 SER HB2 . 10142 1 175 . 1 1 22 22 VAL N N 15 120.580 0.300 . 1 . . . . 22 VAL N . 10142 1 176 . 1 1 22 22 VAL H H 1 8.110 0.030 . 1 . . . . 22 VAL H . 10142 1 177 . 1 1 22 22 VAL CA C 13 61.788 0.300 . 1 . . . . 22 VAL CA . 10142 1 178 . 1 1 22 22 VAL HA H 1 4.293 0.030 . 1 . . . . 22 VAL HA . 10142 1 179 . 1 1 22 22 VAL CB C 13 33.445 0.300 . 1 . . . . 22 VAL CB . 10142 1 180 . 1 1 22 22 VAL HB H 1 2.123 0.030 . 1 . . . . 22 VAL HB . 10142 1 181 . 1 1 22 22 VAL CG1 C 13 20.876 0.300 . 2 . . . . 22 VAL CG1 . 10142 1 182 . 1 1 22 22 VAL HG11 H 1 0.933 0.030 . 1 . . . . 22 VAL HG1 . 10142 1 183 . 1 1 22 22 VAL HG12 H 1 0.933 0.030 . 1 . . . . 22 VAL HG1 . 10142 1 184 . 1 1 22 22 VAL HG13 H 1 0.933 0.030 . 1 . . . . 22 VAL HG1 . 10142 1 185 . 1 1 22 22 VAL CG2 C 13 20.558 0.300 . 2 . . . . 22 VAL CG2 . 10142 1 186 . 1 1 22 22 VAL HG21 H 1 0.930 0.030 . 1 . . . . 22 VAL HG2 . 10142 1 187 . 1 1 22 22 VAL HG22 H 1 0.930 0.030 . 1 . . . . 22 VAL HG2 . 10142 1 188 . 1 1 22 22 VAL HG23 H 1 0.930 0.030 . 1 . . . . 22 VAL HG2 . 10142 1 189 . 1 1 22 22 VAL C C 13 175.160 0.300 . 1 . . . . 22 VAL C . 10142 1 190 . 1 1 23 23 ALA N N 15 127.788 0.300 . 1 . . . . 23 ALA N . 10142 1 191 . 1 1 23 23 ALA H H 1 8.428 0.030 . 1 . . . . 23 ALA H . 10142 1 192 . 1 1 23 23 ALA CA C 13 51.790 0.300 . 1 . . . . 23 ALA CA . 10142 1 193 . 1 1 23 23 ALA HA H 1 4.594 0.030 . 1 . . . . 23 ALA HA . 10142 1 194 . 1 1 23 23 ALA CB C 13 21.050 0.300 . 1 . . . . 23 ALA CB . 10142 1 195 . 1 1 23 23 ALA HB1 H 1 1.501 0.030 . 1 . . . . 23 ALA HB . 10142 1 196 . 1 1 23 23 ALA HB2 H 1 1.501 0.030 . 1 . . . . 23 ALA HB . 10142 1 197 . 1 1 23 23 ALA HB3 H 1 1.501 0.030 . 1 . . . . 23 ALA HB . 10142 1 198 . 1 1 23 23 ALA C C 13 176.198 0.300 . 1 . . . . 23 ALA C . 10142 1 199 . 1 1 24 24 THR N N 15 115.139 0.300 . 1 . . . . 24 THR N . 10142 1 200 . 1 1 24 24 THR H H 1 8.338 0.030 . 1 . . . . 24 THR H . 10142 1 201 . 1 1 24 24 THR CA C 13 60.519 0.300 . 1 . . . . 24 THR CA . 10142 1 202 . 1 1 24 24 THR HA H 1 4.674 0.030 . 1 . . . . 24 THR HA . 10142 1 203 . 1 1 24 24 THR CB C 13 72.048 0.300 . 1 . . . . 24 THR CB . 10142 1 204 . 1 1 24 24 THR HB H 1 3.906 0.030 . 1 . . . . 24 THR HB . 10142 1 205 . 1 1 24 24 THR CG2 C 13 21.598 0.300 . 1 . . . . 24 THR CG2 . 10142 1 206 . 1 1 24 24 THR HG21 H 1 1.132 0.030 . 1 . . . . 24 THR HG2 . 10142 1 207 . 1 1 24 24 THR HG22 H 1 1.132 0.030 . 1 . . . . 24 THR HG2 . 10142 1 208 . 1 1 24 24 THR HG23 H 1 1.132 0.030 . 1 . . . . 24 THR HG2 . 10142 1 209 . 1 1 24 24 THR C C 13 173.979 0.300 . 1 . . . . 24 THR C . 10142 1 210 . 1 1 25 25 VAL N N 15 122.772 0.300 . 1 . . . . 25 VAL N . 10142 1 211 . 1 1 25 25 VAL H H 1 8.002 0.030 . 1 . . . . 25 VAL H . 10142 1 212 . 1 1 25 25 VAL CA C 13 64.582 0.300 . 1 . . . . 25 VAL CA . 10142 1 213 . 1 1 25 25 VAL HA H 1 3.280 0.030 . 1 . . . . 25 VAL HA . 10142 1 214 . 1 1 25 25 VAL CB C 13 32.102 0.300 . 1 . . . . 25 VAL CB . 10142 1 215 . 1 1 25 25 VAL HB H 1 1.806 0.030 . 1 . . . . 25 VAL HB . 10142 1 216 . 1 1 25 25 VAL CG1 C 13 22.140 0.300 . 2 . . . . 25 VAL CG1 . 10142 1 217 . 1 1 25 25 VAL HG11 H 1 0.805 0.030 . 1 . . . . 25 VAL HG1 . 10142 1 218 . 1 1 25 25 VAL HG12 H 1 0.805 0.030 . 1 . . . . 25 VAL HG1 . 10142 1 219 . 1 1 25 25 VAL HG13 H 1 0.805 0.030 . 1 . . . . 25 VAL HG1 . 10142 1 220 . 1 1 25 25 VAL CG2 C 13 21.065 0.300 . 2 . . . . 25 VAL CG2 . 10142 1 221 . 1 1 25 25 VAL HG21 H 1 0.813 0.030 . 1 . . . . 25 VAL HG2 . 10142 1 222 . 1 1 25 25 VAL HG22 H 1 0.813 0.030 . 1 . . . . 25 VAL HG2 . 10142 1 223 . 1 1 25 25 VAL HG23 H 1 0.813 0.030 . 1 . . . . 25 VAL HG2 . 10142 1 224 . 1 1 25 25 VAL C C 13 176.709 0.300 . 1 . . . . 25 VAL C . 10142 1 225 . 1 1 26 26 GLY N N 15 112.345 0.300 . 1 . . . . 26 GLY N . 10142 1 226 . 1 1 26 26 GLY H H 1 8.344 0.030 . 1 . . . . 26 GLY H . 10142 1 227 . 1 1 26 26 GLY CA C 13 45.534 0.300 . 1 . . . . 26 GLY CA . 10142 1 228 . 1 1 26 26 GLY HA3 H 1 4.166 0.030 . 2 . . . . 26 GLY HA3 . 10142 1 229 . 1 1 26 26 GLY C C 13 173.701 0.300 . 1 . . . . 26 GLY C . 10142 1 230 . 1 1 26 26 GLY HA2 H 1 3.519 0.030 . 2 . . . . 26 GLY HA2 . 10142 1 231 . 1 1 27 27 SER N N 15 116.474 0.300 . 1 . . . . 27 SER N . 10142 1 232 . 1 1 27 27 SER H H 1 7.738 0.030 . 1 . . . . 27 SER H . 10142 1 233 . 1 1 27 27 SER CA C 13 57.264 0.300 . 1 . . . . 27 SER CA . 10142 1 234 . 1 1 27 27 SER HA H 1 4.692 0.030 . 1 . . . . 27 SER HA . 10142 1 235 . 1 1 27 27 SER CB C 13 65.270 0.300 . 1 . . . . 27 SER CB . 10142 1 236 . 1 1 27 27 SER HB3 H 1 3.779 0.030 . 2 . . . . 27 SER HB3 . 10142 1 237 . 1 1 27 27 SER C C 13 172.491 0.300 . 1 . . . . 27 SER C . 10142 1 238 . 1 1 27 27 SER HB2 H 1 3.702 0.030 . 2 . . . . 27 SER HB2 . 10142 1 239 . 1 1 28 28 ILE N N 15 122.052 0.300 . 1 . . . . 28 ILE N . 10142 1 240 . 1 1 28 28 ILE H H 1 8.350 0.030 . 1 . . . . 28 ILE H . 10142 1 241 . 1 1 28 28 ILE CA C 13 62.995 0.300 . 1 . . . . 28 ILE CA . 10142 1 242 . 1 1 28 28 ILE HA H 1 3.693 0.030 . 1 . . . . 28 ILE HA . 10142 1 243 . 1 1 28 28 ILE CB C 13 38.221 0.300 . 1 . . . . 28 ILE CB . 10142 1 244 . 1 1 28 28 ILE HB H 1 1.609 0.030 . 1 . . . . 28 ILE HB . 10142 1 245 . 1 1 28 28 ILE CG1 C 13 28.388 0.300 . 1 . . . . 28 ILE CG1 . 10142 1 246 . 1 1 28 28 ILE HG13 H 1 1.522 0.030 . 2 . . . . 28 ILE HG13 . 10142 1 247 . 1 1 28 28 ILE CG2 C 13 17.924 0.300 . 1 . . . . 28 ILE CG2 . 10142 1 248 . 1 1 28 28 ILE HG21 H 1 0.691 0.030 . 1 . . . . 28 ILE HG2 . 10142 1 249 . 1 1 28 28 ILE HG22 H 1 0.691 0.030 . 1 . . . . 28 ILE HG2 . 10142 1 250 . 1 1 28 28 ILE HG23 H 1 0.691 0.030 . 1 . . . . 28 ILE HG2 . 10142 1 251 . 1 1 28 28 ILE CD1 C 13 13.391 0.300 . 1 . . . . 28 ILE CD1 . 10142 1 252 . 1 1 28 28 ILE HD11 H 1 0.764 0.030 . 1 . . . . 28 ILE HD1 . 10142 1 253 . 1 1 28 28 ILE HD12 H 1 0.764 0.030 . 1 . . . . 28 ILE HD1 . 10142 1 254 . 1 1 28 28 ILE HD13 H 1 0.764 0.030 . 1 . . . . 28 ILE HD1 . 10142 1 255 . 1 1 28 28 ILE C C 13 175.624 0.300 . 1 . . . . 28 ILE C . 10142 1 256 . 1 1 28 28 ILE HG12 H 1 0.939 0.030 . 2 . . . . 28 ILE HG12 . 10142 1 257 . 1 1 29 29 CYS N N 15 129.493 0.300 . 1 . . . . 29 CYS N . 10142 1 258 . 1 1 29 29 CYS H H 1 8.730 0.030 . 1 . . . . 29 CYS H . 10142 1 259 . 1 1 29 29 CYS CA C 13 58.201 0.300 . 1 . . . . 29 CYS CA . 10142 1 260 . 1 1 29 29 CYS HA H 1 4.451 0.030 . 1 . . . . 29 CYS HA . 10142 1 261 . 1 1 29 29 CYS CB C 13 28.560 0.300 . 1 . . . . 29 CYS CB . 10142 1 262 . 1 1 29 29 CYS HB3 H 1 2.079 0.030 . 2 . . . . 29 CYS HB3 . 10142 1 263 . 1 1 29 29 CYS C C 13 171.207 0.300 . 1 . . . . 29 CYS C . 10142 1 264 . 1 1 29 29 CYS HB2 H 1 1.983 0.030 . 2 . . . . 29 CYS HB2 . 10142 1 265 . 1 1 30 30 ASP N N 15 123.789 0.300 . 1 . . . . 30 ASP N . 10142 1 266 . 1 1 30 30 ASP H H 1 8.000 0.030 . 1 . . . . 30 ASP H . 10142 1 267 . 1 1 30 30 ASP CA C 13 52.692 0.300 . 1 . . . . 30 ASP CA . 10142 1 268 . 1 1 30 30 ASP HA H 1 5.315 0.030 . 1 . . . . 30 ASP HA . 10142 1 269 . 1 1 30 30 ASP CB C 13 43.397 0.300 . 1 . . . . 30 ASP CB . 10142 1 270 . 1 1 30 30 ASP HB3 H 1 2.338 0.030 . 2 . . . . 30 ASP HB3 . 10142 1 271 . 1 1 30 30 ASP C C 13 175.569 0.300 . 1 . . . . 30 ASP C . 10142 1 272 . 1 1 30 30 ASP HB2 H 1 2.394 0.030 . 2 . . . . 30 ASP HB2 . 10142 1 273 . 1 1 31 31 LEU N N 15 125.116 0.300 . 1 . . . . 31 LEU N . 10142 1 274 . 1 1 31 31 LEU H H 1 9.147 0.030 . 1 . . . . 31 LEU H . 10142 1 275 . 1 1 31 31 LEU CA C 13 53.606 0.300 . 1 . . . . 31 LEU CA . 10142 1 276 . 1 1 31 31 LEU HA H 1 4.515 0.030 . 1 . . . . 31 LEU HA . 10142 1 277 . 1 1 31 31 LEU CB C 13 43.262 0.300 . 1 . . . . 31 LEU CB . 10142 1 278 . 1 1 31 31 LEU HB3 H 1 1.539 0.030 . 2 . . . . 31 LEU HB3 . 10142 1 279 . 1 1 31 31 LEU CG C 13 26.960 0.300 . 1 . . . . 31 LEU CG . 10142 1 280 . 1 1 31 31 LEU HG H 1 1.261 0.030 . 1 . . . . 31 LEU HG . 10142 1 281 . 1 1 31 31 LEU CD1 C 13 24.211 0.300 . 2 . . . . 31 LEU CD1 . 10142 1 282 . 1 1 31 31 LEU HD11 H 1 0.532 0.030 . 1 . . . . 31 LEU HD1 . 10142 1 283 . 1 1 31 31 LEU HD12 H 1 0.532 0.030 . 1 . . . . 31 LEU HD1 . 10142 1 284 . 1 1 31 31 LEU HD13 H 1 0.532 0.030 . 1 . . . . 31 LEU HD1 . 10142 1 285 . 1 1 31 31 LEU CD2 C 13 24.820 0.300 . 2 . . . . 31 LEU CD2 . 10142 1 286 . 1 1 31 31 LEU HD21 H 1 0.340 0.030 . 1 . . . . 31 LEU HD2 . 10142 1 287 . 1 1 31 31 LEU HD22 H 1 0.340 0.030 . 1 . . . . 31 LEU HD2 . 10142 1 288 . 1 1 31 31 LEU HD23 H 1 0.340 0.030 . 1 . . . . 31 LEU HD2 . 10142 1 289 . 1 1 31 31 LEU C C 13 174.935 0.300 . 1 . . . . 31 LEU C . 10142 1 290 . 1 1 31 31 LEU HB2 H 1 1.355 0.030 . 2 . . . . 31 LEU HB2 . 10142 1 291 . 1 1 32 32 ASN N N 15 124.687 0.300 . 1 . . . . 32 ASN N . 10142 1 292 . 1 1 32 32 ASN H H 1 8.690 0.030 . 1 . . . . 32 ASN H . 10142 1 293 . 1 1 32 32 ASN CA C 13 53.696 0.300 . 1 . . . . 32 ASN CA . 10142 1 294 . 1 1 32 32 ASN HA H 1 5.077 0.030 . 1 . . . . 32 ASN HA . 10142 1 295 . 1 1 32 32 ASN CB C 13 39.842 0.300 . 1 . . . . 32 ASN CB . 10142 1 296 . 1 1 32 32 ASN HB3 H 1 2.660 0.030 . 2 . . . . 32 ASN HB3 . 10142 1 297 . 1 1 32 32 ASN ND2 N 15 111.589 0.300 . 1 . . . . 32 ASN ND2 . 10142 1 298 . 1 1 32 32 ASN HD21 H 1 7.279 0.030 . 2 . . . . 32 ASN HD21 . 10142 1 299 . 1 1 32 32 ASN HD22 H 1 6.821 0.030 . 2 . . . . 32 ASN HD22 . 10142 1 300 . 1 1 32 32 ASN C C 13 174.322 0.300 . 1 . . . . 32 ASN C . 10142 1 301 . 1 1 32 32 ASN HB2 H 1 2.605 0.030 . 2 . . . . 32 ASN HB2 . 10142 1 302 . 1 1 33 33 LEU N N 15 123.838 0.300 . 1 . . . . 33 LEU N . 10142 1 303 . 1 1 33 33 LEU H H 1 8.912 0.030 . 1 . . . . 33 LEU H . 10142 1 304 . 1 1 33 33 LEU CA C 13 53.820 0.300 . 1 . . . . 33 LEU CA . 10142 1 305 . 1 1 33 33 LEU HA H 1 4.638 0.030 . 1 . . . . 33 LEU HA . 10142 1 306 . 1 1 33 33 LEU CB C 13 45.587 0.300 . 1 . . . . 33 LEU CB . 10142 1 307 . 1 1 33 33 LEU HB3 H 1 1.298 0.030 . 2 . . . . 33 LEU HB3 . 10142 1 308 . 1 1 33 33 LEU CG C 13 26.744 0.300 . 1 . . . . 33 LEU CG . 10142 1 309 . 1 1 33 33 LEU HG H 1 1.448 0.030 . 1 . . . . 33 LEU HG . 10142 1 310 . 1 1 33 33 LEU CD1 C 13 26.587 0.300 . 2 . . . . 33 LEU CD1 . 10142 1 311 . 1 1 33 33 LEU HD11 H 1 0.637 0.030 . 1 . . . . 33 LEU HD1 . 10142 1 312 . 1 1 33 33 LEU HD12 H 1 0.637 0.030 . 1 . . . . 33 LEU HD1 . 10142 1 313 . 1 1 33 33 LEU HD13 H 1 0.637 0.030 . 1 . . . . 33 LEU HD1 . 10142 1 314 . 1 1 33 33 LEU CD2 C 13 23.573 0.300 . 2 . . . . 33 LEU CD2 . 10142 1 315 . 1 1 33 33 LEU HD21 H 1 0.504 0.030 . 1 . . . . 33 LEU HD2 . 10142 1 316 . 1 1 33 33 LEU HD22 H 1 0.504 0.030 . 1 . . . . 33 LEU HD2 . 10142 1 317 . 1 1 33 33 LEU HD23 H 1 0.504 0.030 . 1 . . . . 33 LEU HD2 . 10142 1 318 . 1 1 33 33 LEU C C 13 175.719 0.300 . 1 . . . . 33 LEU C . 10142 1 319 . 1 1 33 33 LEU HB2 H 1 1.537 0.030 . 2 . . . . 33 LEU HB2 . 10142 1 320 . 1 1 34 34 LYS N N 15 124.925 0.300 . 1 . . . . 34 LYS N . 10142 1 321 . 1 1 34 34 LYS H H 1 8.718 0.030 . 1 . . . . 34 LYS H . 10142 1 322 . 1 1 34 34 LYS CA C 13 55.079 0.300 . 1 . . . . 34 LYS CA . 10142 1 323 . 1 1 34 34 LYS HA H 1 5.036 0.030 . 1 . . . . 34 LYS HA . 10142 1 324 . 1 1 34 34 LYS CB C 13 32.121 0.300 . 1 . . . . 34 LYS CB . 10142 1 325 . 1 1 34 34 LYS HB3 H 1 1.817 0.030 . 2 . . . . 34 LYS HB3 . 10142 1 326 . 1 1 34 34 LYS CG C 13 24.522 0.300 . 1 . . . . 34 LYS CG . 10142 1 327 . 1 1 34 34 LYS HG3 H 1 1.397 0.030 . 2 . . . . 34 LYS HG3 . 10142 1 328 . 1 1 34 34 LYS CD C 13 29.044 0.300 . 1 . . . . 34 LYS CD . 10142 1 329 . 1 1 34 34 LYS HD3 H 1 1.660 0.030 . 1 . . . . 34 LYS HD3 . 10142 1 330 . 1 1 34 34 LYS CE C 13 42.127 0.300 . 1 . . . . 34 LYS CE . 10142 1 331 . 1 1 34 34 LYS HE3 H 1 2.944 0.030 . 1 . . . . 34 LYS HE3 . 10142 1 332 . 1 1 34 34 LYS C C 13 176.081 0.300 . 1 . . . . 34 LYS C . 10142 1 333 . 1 1 34 34 LYS HB2 H 1 1.730 0.030 . 2 . . . . 34 LYS HB2 . 10142 1 334 . 1 1 34 34 LYS HD2 H 1 1.660 0.030 . 1 . . . . 34 LYS HD2 . 10142 1 335 . 1 1 34 34 LYS HE2 H 1 2.944 0.030 . 1 . . . . 34 LYS HE2 . 10142 1 336 . 1 1 34 34 LYS HG2 H 1 1.289 0.030 . 2 . . . . 34 LYS HG2 . 10142 1 337 . 1 1 35 35 ILE N N 15 123.769 0.300 . 1 . . . . 35 ILE N . 10142 1 338 . 1 1 35 35 ILE H H 1 7.935 0.030 . 1 . . . . 35 ILE H . 10142 1 339 . 1 1 35 35 ILE CA C 13 58.161 0.300 . 1 . . . . 35 ILE CA . 10142 1 340 . 1 1 35 35 ILE HA H 1 4.612 0.030 . 1 . . . . 35 ILE HA . 10142 1 341 . 1 1 35 35 ILE CB C 13 40.616 0.300 . 1 . . . . 35 ILE CB . 10142 1 342 . 1 1 35 35 ILE HB H 1 1.649 0.030 . 1 . . . . 35 ILE HB . 10142 1 343 . 1 1 35 35 ILE CG1 C 13 26.523 0.300 . 1 . . . . 35 ILE CG1 . 10142 1 344 . 1 1 35 35 ILE HG13 H 1 1.344 0.030 . 2 . . . . 35 ILE HG13 . 10142 1 345 . 1 1 35 35 ILE CG2 C 13 17.698 0.300 . 1 . . . . 35 ILE CG2 . 10142 1 346 . 1 1 35 35 ILE HG21 H 1 0.831 0.030 . 1 . . . . 35 ILE HG2 . 10142 1 347 . 1 1 35 35 ILE HG22 H 1 0.831 0.030 . 1 . . . . 35 ILE HG2 . 10142 1 348 . 1 1 35 35 ILE HG23 H 1 0.831 0.030 . 1 . . . . 35 ILE HG2 . 10142 1 349 . 1 1 35 35 ILE CD1 C 13 13.909 0.300 . 1 . . . . 35 ILE CD1 . 10142 1 350 . 1 1 35 35 ILE HD11 H 1 0.716 0.030 . 1 . . . . 35 ILE HD1 . 10142 1 351 . 1 1 35 35 ILE HD12 H 1 0.716 0.030 . 1 . . . . 35 ILE HD1 . 10142 1 352 . 1 1 35 35 ILE HD13 H 1 0.716 0.030 . 1 . . . . 35 ILE HD1 . 10142 1 353 . 1 1 35 35 ILE C C 13 173.405 0.300 . 1 . . . . 35 ILE C . 10142 1 354 . 1 1 35 35 ILE HG12 H 1 1.084 0.030 . 2 . . . . 35 ILE HG12 . 10142 1 355 . 1 1 36 36 PRO CA C 13 63.143 0.300 . 1 . . . . 36 PRO CA . 10142 1 356 . 1 1 36 36 PRO HA H 1 4.435 0.030 . 1 . . . . 36 PRO HA . 10142 1 357 . 1 1 36 36 PRO CB C 13 32.806 0.300 . 1 . . . . 36 PRO CB . 10142 1 358 . 1 1 36 36 PRO HB3 H 1 2.300 0.030 . 2 . . . . 36 PRO HB3 . 10142 1 359 . 1 1 36 36 PRO CG C 13 27.288 0.300 . 1 . . . . 36 PRO CG . 10142 1 360 . 1 1 36 36 PRO HG3 H 1 2.079 0.030 . 2 . . . . 36 PRO HG3 . 10142 1 361 . 1 1 36 36 PRO CD C 13 51.196 0.300 . 1 . . . . 36 PRO CD . 10142 1 362 . 1 1 36 36 PRO HD3 H 1 3.753 0.030 . 2 . . . . 36 PRO HD3 . 10142 1 363 . 1 1 36 36 PRO C C 13 176.844 0.300 . 1 . . . . 36 PRO C . 10142 1 364 . 1 1 36 36 PRO HB2 H 1 1.973 0.030 . 2 . . . . 36 PRO HB2 . 10142 1 365 . 1 1 36 36 PRO HD2 H 1 3.687 0.030 . 2 . . . . 36 PRO HD2 . 10142 1 366 . 1 1 36 36 PRO HG2 H 1 1.953 0.030 . 2 . . . . 36 PRO HG2 . 10142 1 367 . 1 1 37 37 GLU N N 15 114.188 0.300 . 1 . . . . 37 GLU N . 10142 1 368 . 1 1 37 37 GLU H H 1 8.358 0.030 . 1 . . . . 37 GLU H . 10142 1 369 . 1 1 37 37 GLU CA C 13 59.038 0.300 . 1 . . . . 37 GLU CA . 10142 1 370 . 1 1 37 37 GLU HA H 1 3.916 0.030 . 1 . . . . 37 GLU HA . 10142 1 371 . 1 1 37 37 GLU CB C 13 28.206 0.300 . 1 . . . . 37 GLU CB . 10142 1 372 . 1 1 37 37 GLU HB3 H 1 2.131 0.030 . 1 . . . . 37 GLU HB3 . 10142 1 373 . 1 1 37 37 GLU CG C 13 36.661 0.300 . 1 . . . . 37 GLU CG . 10142 1 374 . 1 1 37 37 GLU HG3 H 1 2.231 0.030 . 2 . . . . 37 GLU HG3 . 10142 1 375 . 1 1 37 37 GLU C C 13 175.996 0.300 . 1 . . . . 37 GLU C . 10142 1 376 . 1 1 37 37 GLU HB2 H 1 2.131 0.030 . 1 . . . . 37 GLU HB2 . 10142 1 377 . 1 1 37 37 GLU HG2 H 1 2.173 0.030 . 2 . . . . 37 GLU HG2 . 10142 1 378 . 1 1 38 38 ILE N N 15 118.733 0.300 . 1 . . . . 38 ILE N . 10142 1 379 . 1 1 38 38 ILE H H 1 7.679 0.030 . 1 . . . . 38 ILE H . 10142 1 380 . 1 1 38 38 ILE CA C 13 60.711 0.300 . 1 . . . . 38 ILE CA . 10142 1 381 . 1 1 38 38 ILE HA H 1 4.029 0.030 . 1 . . . . 38 ILE HA . 10142 1 382 . 1 1 38 38 ILE CB C 13 40.278 0.300 . 1 . . . . 38 ILE CB . 10142 1 383 . 1 1 38 38 ILE HB H 1 1.307 0.030 . 1 . . . . 38 ILE HB . 10142 1 384 . 1 1 38 38 ILE CG1 C 13 26.604 0.300 . 1 . . . . 38 ILE CG1 . 10142 1 385 . 1 1 38 38 ILE HG13 H 1 0.577 0.030 . 2 . . . . 38 ILE HG13 . 10142 1 386 . 1 1 38 38 ILE CG2 C 13 17.770 0.300 . 1 . . . . 38 ILE CG2 . 10142 1 387 . 1 1 38 38 ILE HG21 H 1 0.418 0.030 . 1 . . . . 38 ILE HG2 . 10142 1 388 . 1 1 38 38 ILE HG22 H 1 0.418 0.030 . 1 . . . . 38 ILE HG2 . 10142 1 389 . 1 1 38 38 ILE HG23 H 1 0.418 0.030 . 1 . . . . 38 ILE HG2 . 10142 1 390 . 1 1 38 38 ILE CD1 C 13 13.224 0.300 . 1 . . . . 38 ILE CD1 . 10142 1 391 . 1 1 38 38 ILE HD11 H 1 0.316 0.030 . 1 . . . . 38 ILE HD1 . 10142 1 392 . 1 1 38 38 ILE HD12 H 1 0.316 0.030 . 1 . . . . 38 ILE HD1 . 10142 1 393 . 1 1 38 38 ILE HD13 H 1 0.316 0.030 . 1 . . . . 38 ILE HD1 . 10142 1 394 . 1 1 38 38 ILE C C 13 175.255 0.300 . 1 . . . . 38 ILE C . 10142 1 395 . 1 1 38 38 ILE HG12 H 1 1.113 0.030 . 2 . . . . 38 ILE HG12 . 10142 1 396 . 1 1 39 39 ASN H H 1 8.593 0.030 . 1 . . . . 39 ASN H . 10142 1 397 . 1 1 39 39 ASN CA C 13 52.929 0.300 . 1 . . . . 39 ASN CA . 10142 1 398 . 1 1 39 39 ASN HA H 1 4.921 0.030 . 1 . . . . 39 ASN HA . 10142 1 399 . 1 1 39 39 ASN CB C 13 39.419 0.300 . 1 . . . . 39 ASN CB . 10142 1 400 . 1 1 39 39 ASN HB3 H 1 2.899 0.030 . 2 . . . . 39 ASN HB3 . 10142 1 401 . 1 1 39 39 ASN ND2 N 15 114.102 0.300 . 1 . . . . 39 ASN ND2 . 10142 1 402 . 1 1 39 39 ASN HD21 H 1 7.019 0.030 . 2 . . . . 39 ASN HD21 . 10142 1 403 . 1 1 39 39 ASN HD22 H 1 7.683 0.030 . 2 . . . . 39 ASN HD22 . 10142 1 404 . 1 1 39 39 ASN C C 13 176.891 0.300 . 1 . . . . 39 ASN C . 10142 1 405 . 1 1 39 39 ASN HB2 H 1 2.765 0.030 . 2 . . . . 39 ASN HB2 . 10142 1 406 . 1 1 40 40 SER N N 15 120.676 0.300 . 1 . . . . 40 SER N . 10142 1 407 . 1 1 40 40 SER H H 1 8.995 0.030 . 1 . . . . 40 SER H . 10142 1 408 . 1 1 40 40 SER CA C 13 62.318 0.300 . 1 . . . . 40 SER CA . 10142 1 409 . 1 1 40 40 SER HA H 1 4.058 0.030 . 1 . . . . 40 SER HA . 10142 1 410 . 1 1 40 40 SER CB C 13 63.297 0.300 . 1 . . . . 40 SER CB . 10142 1 411 . 1 1 40 40 SER HB3 H 1 3.868 0.030 . 2 . . . . 40 SER HB3 . 10142 1 412 . 1 1 40 40 SER C C 13 176.866 0.300 . 1 . . . . 40 SER C . 10142 1 413 . 1 1 40 40 SER HB2 H 1 3.802 0.030 . 2 . . . . 40 SER HB2 . 10142 1 414 . 1 1 41 41 SER N N 15 112.249 0.300 . 1 . . . . 41 SER N . 10142 1 415 . 1 1 41 41 SER H H 1 8.253 0.030 . 1 . . . . 41 SER H . 10142 1 416 . 1 1 41 41 SER CA C 13 60.133 0.300 . 1 . . . . 41 SER CA . 10142 1 417 . 1 1 41 41 SER HA H 1 4.348 0.030 . 1 . . . . 41 SER HA . 10142 1 418 . 1 1 41 41 SER CB C 13 62.986 0.300 . 1 . . . . 41 SER CB . 10142 1 419 . 1 1 41 41 SER HB3 H 1 4.025 0.030 . 2 . . . . 41 SER HB3 . 10142 1 420 . 1 1 41 41 SER C C 13 174.885 0.300 . 1 . . . . 41 SER C . 10142 1 421 . 1 1 41 41 SER HB2 H 1 3.917 0.030 . 2 . . . . 41 SER HB2 . 10142 1 422 . 1 1 42 42 ASP N N 15 119.471 0.300 . 1 . . . . 42 ASP N . 10142 1 423 . 1 1 42 42 ASP H H 1 7.835 0.030 . 1 . . . . 42 ASP H . 10142 1 424 . 1 1 42 42 ASP CA C 13 54.713 0.300 . 1 . . . . 42 ASP CA . 10142 1 425 . 1 1 42 42 ASP HA H 1 4.933 0.030 . 1 . . . . 42 ASP HA . 10142 1 426 . 1 1 42 42 ASP CB C 13 42.479 0.300 . 1 . . . . 42 ASP CB . 10142 1 427 . 1 1 42 42 ASP HB3 H 1 3.076 0.030 . 2 . . . . 42 ASP HB3 . 10142 1 428 . 1 1 42 42 ASP C C 13 175.586 0.300 . 1 . . . . 42 ASP C . 10142 1 429 . 1 1 42 42 ASP HB2 H 1 2.815 0.030 . 2 . . . . 42 ASP HB2 . 10142 1 430 . 1 1 43 43 MET N N 15 119.155 0.300 . 1 . . . . 43 MET N . 10142 1 431 . 1 1 43 43 MET H H 1 7.549 0.030 . 1 . . . . 43 MET H . 10142 1 432 . 1 1 43 43 MET CA C 13 54.927 0.300 . 1 . . . . 43 MET CA . 10142 1 433 . 1 1 43 43 MET HA H 1 5.359 0.030 . 1 . . . . 43 MET HA . 10142 1 434 . 1 1 43 43 MET CB C 13 37.158 0.300 . 1 . . . . 43 MET CB . 10142 1 435 . 1 1 43 43 MET HB3 H 1 1.807 0.030 . 2 . . . . 43 MET HB3 . 10142 1 436 . 1 1 43 43 MET CG C 13 33.105 0.300 . 1 . . . . 43 MET CG . 10142 1 437 . 1 1 43 43 MET HG3 H 1 2.352 0.030 . 2 . . . . 43 MET HG3 . 10142 1 438 . 1 1 43 43 MET CE C 13 16.252 0.300 . 1 . . . . 43 MET CE . 10142 1 439 . 1 1 43 43 MET HE1 H 1 1.240 0.030 . 1 . . . . 43 MET HE . 10142 1 440 . 1 1 43 43 MET HE2 H 1 1.240 0.030 . 1 . . . . 43 MET HE . 10142 1 441 . 1 1 43 43 MET HE3 H 1 1.240 0.030 . 1 . . . . 43 MET HE . 10142 1 442 . 1 1 43 43 MET C C 13 174.894 0.300 . 1 . . . . 43 MET C . 10142 1 443 . 1 1 43 43 MET HB2 H 1 2.032 0.030 . 2 . . . . 43 MET HB2 . 10142 1 444 . 1 1 43 43 MET HG2 H 1 2.145 0.030 . 2 . . . . 43 MET HG2 . 10142 1 445 . 1 1 44 44 SER N N 15 114.070 0.300 . 1 . . . . 44 SER N . 10142 1 446 . 1 1 44 44 SER H H 1 8.739 0.030 . 1 . . . . 44 SER H . 10142 1 447 . 1 1 44 44 SER CA C 13 56.937 0.300 . 1 . . . . 44 SER CA . 10142 1 448 . 1 1 44 44 SER HA H 1 4.700 0.030 . 1 . . . . 44 SER HA . 10142 1 449 . 1 1 44 44 SER CB C 13 66.247 0.300 . 1 . . . . 44 SER CB . 10142 1 450 . 1 1 44 44 SER HB3 H 1 3.767 0.030 . 2 . . . . 44 SER HB3 . 10142 1 451 . 1 1 44 44 SER C C 13 172.764 0.300 . 1 . . . . 44 SER C . 10142 1 452 . 1 1 44 44 SER HB2 H 1 3.715 0.030 . 2 . . . . 44 SER HB2 . 10142 1 453 . 1 1 45 45 ALA N N 15 126.192 0.300 . 1 . . . . 45 ALA N . 10142 1 454 . 1 1 45 45 ALA H H 1 9.123 0.030 . 1 . . . . 45 ALA H . 10142 1 455 . 1 1 45 45 ALA CA C 13 50.378 0.300 . 1 . . . . 45 ALA CA . 10142 1 456 . 1 1 45 45 ALA HA H 1 5.741 0.030 . 1 . . . . 45 ALA HA . 10142 1 457 . 1 1 45 45 ALA CB C 13 23.330 0.300 . 1 . . . . 45 ALA CB . 10142 1 458 . 1 1 45 45 ALA HB1 H 1 1.133 0.030 . 1 . . . . 45 ALA HB . 10142 1 459 . 1 1 45 45 ALA HB2 H 1 1.133 0.030 . 1 . . . . 45 ALA HB . 10142 1 460 . 1 1 45 45 ALA HB3 H 1 1.133 0.030 . 1 . . . . 45 ALA HB . 10142 1 461 . 1 1 45 45 ALA C C 13 175.089 0.300 . 1 . . . . 45 ALA C . 10142 1 462 . 1 1 46 46 HIS N N 15 119.075 0.300 . 1 . . . . 46 HIS N . 10142 1 463 . 1 1 46 46 HIS H H 1 8.701 0.030 . 1 . . . . 46 HIS H . 10142 1 464 . 1 1 46 46 HIS CA C 13 55.999 0.300 . 1 . . . . 46 HIS CA . 10142 1 465 . 1 1 46 46 HIS HA H 1 5.157 0.030 . 1 . . . . 46 HIS HA . 10142 1 466 . 1 1 46 46 HIS CB C 13 34.239 0.300 . 1 . . . . 46 HIS CB . 10142 1 467 . 1 1 46 46 HIS HB3 H 1 2.857 0.030 . 2 . . . . 46 HIS HB3 . 10142 1 468 . 1 1 46 46 HIS CD2 C 13 118.263 0.300 . 1 . . . . 46 HIS CD2 . 10142 1 469 . 1 1 46 46 HIS HD2 H 1 6.725 0.030 . 1 . . . . 46 HIS HD2 . 10142 1 470 . 1 1 46 46 HIS CE1 C 13 138.152 0.300 . 1 . . . . 46 HIS CE1 . 10142 1 471 . 1 1 46 46 HIS HE1 H 1 7.657 0.030 . 1 . . . . 46 HIS HE1 . 10142 1 472 . 1 1 46 46 HIS C C 13 174.155 0.300 . 1 . . . . 46 HIS C . 10142 1 473 . 1 1 46 46 HIS HB2 H 1 2.723 0.030 . 2 . . . . 46 HIS HB2 . 10142 1 474 . 1 1 47 47 VAL N N 15 125.059 0.300 . 1 . . . . 47 VAL N . 10142 1 475 . 1 1 47 47 VAL H H 1 9.488 0.030 . 1 . . . . 47 VAL H . 10142 1 476 . 1 1 47 47 VAL CA C 13 60.604 0.300 . 1 . . . . 47 VAL CA . 10142 1 477 . 1 1 47 47 VAL HA H 1 4.730 0.030 . 1 . . . . 47 VAL HA . 10142 1 478 . 1 1 47 47 VAL CB C 13 33.769 0.300 . 1 . . . . 47 VAL CB . 10142 1 479 . 1 1 47 47 VAL HB H 1 1.679 0.030 . 1 . . . . 47 VAL HB . 10142 1 480 . 1 1 47 47 VAL CG1 C 13 21.502 0.300 . 2 . . . . 47 VAL CG1 . 10142 1 481 . 1 1 47 47 VAL HG11 H 1 0.506 0.030 . 1 . . . . 47 VAL HG1 . 10142 1 482 . 1 1 47 47 VAL HG12 H 1 0.506 0.030 . 1 . . . . 47 VAL HG1 . 10142 1 483 . 1 1 47 47 VAL HG13 H 1 0.506 0.030 . 1 . . . . 47 VAL HG1 . 10142 1 484 . 1 1 47 47 VAL CG2 C 13 20.566 0.300 . 2 . . . . 47 VAL CG2 . 10142 1 485 . 1 1 47 47 VAL HG21 H 1 0.130 0.030 . 1 . . . . 47 VAL HG2 . 10142 1 486 . 1 1 47 47 VAL HG22 H 1 0.130 0.030 . 1 . . . . 47 VAL HG2 . 10142 1 487 . 1 1 47 47 VAL HG23 H 1 0.130 0.030 . 1 . . . . 47 VAL HG2 . 10142 1 488 . 1 1 47 47 VAL C C 13 175.126 0.300 . 1 . . . . 47 VAL C . 10142 1 489 . 1 1 48 48 THR N N 15 124.473 0.300 . 1 . . . . 48 THR N . 10142 1 490 . 1 1 48 48 THR H H 1 9.432 0.030 . 1 . . . . 48 THR H . 10142 1 491 . 1 1 48 48 THR CA C 13 61.766 0.300 . 1 . . . . 48 THR CA . 10142 1 492 . 1 1 48 48 THR HA H 1 5.164 0.030 . 1 . . . . 48 THR HA . 10142 1 493 . 1 1 48 48 THR CB C 13 69.384 0.300 . 1 . . . . 48 THR CB . 10142 1 494 . 1 1 48 48 THR HB H 1 3.983 0.030 . 1 . . . . 48 THR HB . 10142 1 495 . 1 1 48 48 THR CG2 C 13 21.170 0.300 . 1 . . . . 48 THR CG2 . 10142 1 496 . 1 1 48 48 THR HG21 H 1 1.179 0.030 . 1 . . . . 48 THR HG2 . 10142 1 497 . 1 1 48 48 THR HG22 H 1 1.179 0.030 . 1 . . . . 48 THR HG2 . 10142 1 498 . 1 1 48 48 THR HG23 H 1 1.179 0.030 . 1 . . . . 48 THR HG2 . 10142 1 499 . 1 1 48 48 THR C C 13 174.573 0.300 . 1 . . . . 48 THR C . 10142 1 500 . 1 1 49 49 SER N N 15 125.657 0.300 . 1 . . . . 49 SER N . 10142 1 501 . 1 1 49 49 SER H H 1 9.043 0.030 . 1 . . . . 49 SER H . 10142 1 502 . 1 1 49 49 SER CA C 13 56.638 0.300 . 1 . . . . 49 SER CA . 10142 1 503 . 1 1 49 49 SER HA H 1 4.225 0.030 . 1 . . . . 49 SER HA . 10142 1 504 . 1 1 49 49 SER CB C 13 62.948 0.300 . 1 . . . . 49 SER CB . 10142 1 505 . 1 1 49 49 SER HB3 H 1 3.819 0.030 . 2 . . . . 49 SER HB3 . 10142 1 506 . 1 1 49 49 SER C C 13 174.034 0.300 . 1 . . . . 49 SER C . 10142 1 507 . 1 1 49 49 SER HB2 H 1 3.999 0.030 . 2 . . . . 49 SER HB2 . 10142 1 508 . 1 1 50 50 PRO CA C 13 65.784 0.300 . 1 . . . . 50 PRO CA . 10142 1 509 . 1 1 50 50 PRO HA H 1 4.260 0.030 . 1 . . . . 50 PRO HA . 10142 1 510 . 1 1 50 50 PRO CB C 13 31.493 0.300 . 1 . . . . 50 PRO CB . 10142 1 511 . 1 1 50 50 PRO HB3 H 1 2.440 0.030 . 2 . . . . 50 PRO HB3 . 10142 1 512 . 1 1 50 50 PRO CG C 13 26.743 0.300 . 1 . . . . 50 PRO CG . 10142 1 513 . 1 1 50 50 PRO HG3 H 1 1.875 0.030 . 2 . . . . 50 PRO HG3 . 10142 1 514 . 1 1 50 50 PRO CD C 13 49.724 0.300 . 1 . . . . 50 PRO CD . 10142 1 515 . 1 1 50 50 PRO HD3 H 1 1.954 0.030 . 2 . . . . 50 PRO HD3 . 10142 1 516 . 1 1 50 50 PRO C C 13 177.687 0.300 . 1 . . . . 50 PRO C . 10142 1 517 . 1 1 50 50 PRO HB2 H 1 1.923 0.030 . 2 . . . . 50 PRO HB2 . 10142 1 518 . 1 1 50 50 PRO HD2 H 1 3.181 0.030 . 2 . . . . 50 PRO HD2 . 10142 1 519 . 1 1 50 50 PRO HG2 H 1 2.157 0.030 . 2 . . . . 50 PRO HG2 . 10142 1 520 . 1 1 51 51 SER N N 15 110.322 0.300 . 1 . . . . 51 SER N . 10142 1 521 . 1 1 51 51 SER H H 1 8.349 0.030 . 1 . . . . 51 SER H . 10142 1 522 . 1 1 51 51 SER CA C 13 59.076 0.300 . 1 . . . . 51 SER CA . 10142 1 523 . 1 1 51 51 SER HA H 1 4.332 0.030 . 1 . . . . 51 SER HA . 10142 1 524 . 1 1 51 51 SER CB C 13 62.825 0.300 . 1 . . . . 51 SER CB . 10142 1 525 . 1 1 51 51 SER HB3 H 1 3.934 0.030 . 2 . . . . 51 SER HB3 . 10142 1 526 . 1 1 51 51 SER C C 13 175.363 0.300 . 1 . . . . 51 SER C . 10142 1 527 . 1 1 51 51 SER HB2 H 1 4.000 0.030 . 2 . . . . 51 SER HB2 . 10142 1 528 . 1 1 52 52 GLY N N 15 111.132 0.300 . 1 . . . . 52 GLY N . 10142 1 529 . 1 1 52 52 GLY H H 1 8.289 0.030 . 1 . . . . 52 GLY H . 10142 1 530 . 1 1 52 52 GLY CA C 13 44.831 0.300 . 1 . . . . 52 GLY CA . 10142 1 531 . 1 1 52 52 GLY HA3 H 1 4.302 0.030 . 2 . . . . 52 GLY HA3 . 10142 1 532 . 1 1 52 52 GLY C C 13 174.002 0.300 . 1 . . . . 52 GLY C . 10142 1 533 . 1 1 52 52 GLY HA2 H 1 3.421 0.030 . 2 . . . . 52 GLY HA2 . 10142 1 534 . 1 1 53 53 ARG N N 15 121.515 0.300 . 1 . . . . 53 ARG N . 10142 1 535 . 1 1 53 53 ARG H H 1 7.322 0.030 . 1 . . . . 53 ARG H . 10142 1 536 . 1 1 53 53 ARG CA C 13 56.749 0.300 . 1 . . . . 53 ARG CA . 10142 1 537 . 1 1 53 53 ARG HA H 1 4.222 0.030 . 1 . . . . 53 ARG HA . 10142 1 538 . 1 1 53 53 ARG CB C 13 30.430 0.300 . 1 . . . . 53 ARG CB . 10142 1 539 . 1 1 53 53 ARG HB3 H 1 1.778 0.030 . 2 . . . . 53 ARG HB3 . 10142 1 540 . 1 1 53 53 ARG CG C 13 27.522 0.300 . 1 . . . . 53 ARG CG . 10142 1 541 . 1 1 53 53 ARG HG3 H 1 1.658 0.030 . 2 . . . . 53 ARG HG3 . 10142 1 542 . 1 1 53 53 ARG CD C 13 43.361 0.300 . 1 . . . . 53 ARG CD . 10142 1 543 . 1 1 53 53 ARG HD3 H 1 3.198 0.030 . 1 . . . . 53 ARG HD3 . 10142 1 544 . 1 1 53 53 ARG C C 13 176.023 0.300 . 1 . . . . 53 ARG C . 10142 1 545 . 1 1 53 53 ARG HB2 H 1 1.721 0.030 . 2 . . . . 53 ARG HB2 . 10142 1 546 . 1 1 53 53 ARG HD2 H 1 3.198 0.030 . 1 . . . . 53 ARG HD2 . 10142 1 547 . 1 1 53 53 ARG HG2 H 1 1.520 0.030 . 2 . . . . 53 ARG HG2 . 10142 1 548 . 1 1 54 54 VAL N N 15 128.383 0.300 . 1 . . . . 54 VAL N . 10142 1 549 . 1 1 54 54 VAL H H 1 8.780 0.030 . 1 . . . . 54 VAL H . 10142 1 550 . 1 1 54 54 VAL CA C 13 61.533 0.300 . 1 . . . . 54 VAL CA . 10142 1 551 . 1 1 54 54 VAL HA H 1 5.243 0.030 . 1 . . . . 54 VAL HA . 10142 1 552 . 1 1 54 54 VAL CB C 13 33.205 0.300 . 1 . . . . 54 VAL CB . 10142 1 553 . 1 1 54 54 VAL HB H 1 1.921 0.030 . 1 . . . . 54 VAL HB . 10142 1 554 . 1 1 54 54 VAL CG1 C 13 21.308 0.300 . 2 . . . . 54 VAL CG1 . 10142 1 555 . 1 1 54 54 VAL HG11 H 1 0.817 0.030 . 1 . . . . 54 VAL HG1 . 10142 1 556 . 1 1 54 54 VAL HG12 H 1 0.817 0.030 . 1 . . . . 54 VAL HG1 . 10142 1 557 . 1 1 54 54 VAL HG13 H 1 0.817 0.030 . 1 . . . . 54 VAL HG1 . 10142 1 558 . 1 1 54 54 VAL CG2 C 13 21.192 0.300 . 2 . . . . 54 VAL CG2 . 10142 1 559 . 1 1 54 54 VAL HG21 H 1 1.001 0.030 . 1 . . . . 54 VAL HG2 . 10142 1 560 . 1 1 54 54 VAL HG22 H 1 1.001 0.030 . 1 . . . . 54 VAL HG2 . 10142 1 561 . 1 1 54 54 VAL HG23 H 1 1.001 0.030 . 1 . . . . 54 VAL HG2 . 10142 1 562 . 1 1 54 54 VAL C C 13 176.783 0.300 . 1 . . . . 54 VAL C . 10142 1 563 . 1 1 55 55 THR N N 15 121.757 0.300 . 1 . . . . 55 THR N . 10142 1 564 . 1 1 55 55 THR H H 1 9.188 0.030 . 1 . . . . 55 THR H . 10142 1 565 . 1 1 55 55 THR CA C 13 60.216 0.300 . 1 . . . . 55 THR CA . 10142 1 566 . 1 1 55 55 THR HA H 1 4.751 0.030 . 1 . . . . 55 THR HA . 10142 1 567 . 1 1 55 55 THR CB C 13 71.896 0.300 . 1 . . . . 55 THR CB . 10142 1 568 . 1 1 55 55 THR HB H 1 4.114 0.030 . 1 . . . . 55 THR HB . 10142 1 569 . 1 1 55 55 THR CG2 C 13 21.827 0.300 . 1 . . . . 55 THR CG2 . 10142 1 570 . 1 1 55 55 THR HG21 H 1 1.309 0.030 . 1 . . . . 55 THR HG2 . 10142 1 571 . 1 1 55 55 THR HG22 H 1 1.309 0.030 . 1 . . . . 55 THR HG2 . 10142 1 572 . 1 1 55 55 THR HG23 H 1 1.309 0.030 . 1 . . . . 55 THR HG2 . 10142 1 573 . 1 1 55 55 THR C C 13 173.454 0.300 . 1 . . . . 55 THR C . 10142 1 574 . 1 1 56 56 GLU N N 15 125.373 0.300 . 1 . . . . 56 GLU N . 10142 1 575 . 1 1 56 56 GLU H H 1 8.927 0.030 . 1 . . . . 56 GLU H . 10142 1 576 . 1 1 56 56 GLU CA C 13 57.019 0.300 . 1 . . . . 56 GLU CA . 10142 1 577 . 1 1 56 56 GLU HA H 1 4.365 0.030 . 1 . . . . 56 GLU HA . 10142 1 578 . 1 1 56 56 GLU CB C 13 30.230 0.300 . 1 . . . . 56 GLU CB . 10142 1 579 . 1 1 56 56 GLU HB3 H 1 2.021 0.030 . 2 . . . . 56 GLU HB3 . 10142 1 580 . 1 1 56 56 GLU CG C 13 36.688 0.300 . 1 . . . . 56 GLU CG . 10142 1 581 . 1 1 56 56 GLU HG3 H 1 2.179 0.030 . 2 . . . . 56 GLU HG3 . 10142 1 582 . 1 1 56 56 GLU C C 13 175.556 0.300 . 1 . . . . 56 GLU C . 10142 1 583 . 1 1 56 56 GLU HB2 H 1 1.942 0.030 . 2 . . . . 56 GLU HB2 . 10142 1 584 . 1 1 56 56 GLU HG2 H 1 2.259 0.030 . 2 . . . . 56 GLU HG2 . 10142 1 585 . 1 1 57 57 ALA N N 15 128.204 0.300 . 1 . . . . 57 ALA N . 10142 1 586 . 1 1 57 57 ALA H H 1 8.201 0.030 . 1 . . . . 57 ALA H . 10142 1 587 . 1 1 57 57 ALA CA C 13 50.068 0.300 . 1 . . . . 57 ALA CA . 10142 1 588 . 1 1 57 57 ALA HA H 1 4.827 0.030 . 1 . . . . 57 ALA HA . 10142 1 589 . 1 1 57 57 ALA CB C 13 21.531 0.300 . 1 . . . . 57 ALA CB . 10142 1 590 . 1 1 57 57 ALA HB1 H 1 1.136 0.030 . 1 . . . . 57 ALA HB . 10142 1 591 . 1 1 57 57 ALA HB2 H 1 1.136 0.030 . 1 . . . . 57 ALA HB . 10142 1 592 . 1 1 57 57 ALA HB3 H 1 1.136 0.030 . 1 . . . . 57 ALA HB . 10142 1 593 . 1 1 57 57 ALA C C 13 175.178 0.300 . 1 . . . . 57 ALA C . 10142 1 594 . 1 1 58 58 GLU N N 15 120.950 0.300 . 1 . . . . 58 GLU N . 10142 1 595 . 1 1 58 58 GLU H H 1 8.202 0.030 . 1 . . . . 58 GLU H . 10142 1 596 . 1 1 58 58 GLU CA C 13 55.505 0.300 . 1 . . . . 58 GLU CA . 10142 1 597 . 1 1 58 58 GLU HA H 1 4.509 0.030 . 1 . . . . 58 GLU HA . 10142 1 598 . 1 1 58 58 GLU CB C 13 32.301 0.300 . 1 . . . . 58 GLU CB . 10142 1 599 . 1 1 58 58 GLU HB3 H 1 1.961 0.030 . 2 . . . . 58 GLU HB3 . 10142 1 600 . 1 1 58 58 GLU CG C 13 36.530 0.300 . 1 . . . . 58 GLU CG . 10142 1 601 . 1 1 58 58 GLU HG3 H 1 2.157 0.030 . 2 . . . . 58 GLU HG3 . 10142 1 602 . 1 1 58 58 GLU C C 13 175.025 0.300 . 1 . . . . 58 GLU C . 10142 1 603 . 1 1 58 58 GLU HB2 H 1 2.003 0.030 . 2 . . . . 58 GLU HB2 . 10142 1 604 . 1 1 58 58 GLU HG2 H 1 2.300 0.030 . 2 . . . . 58 GLU HG2 . 10142 1 605 . 1 1 59 59 ILE N N 15 122.574 0.300 . 1 . . . . 59 ILE N . 10142 1 606 . 1 1 59 59 ILE H H 1 8.578 0.030 . 1 . . . . 59 ILE H . 10142 1 607 . 1 1 59 59 ILE CA C 13 60.355 0.300 . 1 . . . . 59 ILE CA . 10142 1 608 . 1 1 59 59 ILE HA H 1 4.954 0.030 . 1 . . . . 59 ILE HA . 10142 1 609 . 1 1 59 59 ILE CB C 13 38.374 0.300 . 1 . . . . 59 ILE CB . 10142 1 610 . 1 1 59 59 ILE HB H 1 1.782 0.030 . 1 . . . . 59 ILE HB . 10142 1 611 . 1 1 59 59 ILE CG1 C 13 27.699 0.300 . 1 . . . . 59 ILE CG1 . 10142 1 612 . 1 1 59 59 ILE HG13 H 1 1.614 0.030 . 2 . . . . 59 ILE HG13 . 10142 1 613 . 1 1 59 59 ILE CG2 C 13 18.150 0.300 . 1 . . . . 59 ILE CG2 . 10142 1 614 . 1 1 59 59 ILE HG21 H 1 0.793 0.030 . 1 . . . . 59 ILE HG2 . 10142 1 615 . 1 1 59 59 ILE HG22 H 1 0.793 0.030 . 1 . . . . 59 ILE HG2 . 10142 1 616 . 1 1 59 59 ILE HG23 H 1 0.793 0.030 . 1 . . . . 59 ILE HG2 . 10142 1 617 . 1 1 59 59 ILE CD1 C 13 14.233 0.300 . 1 . . . . 59 ILE CD1 . 10142 1 618 . 1 1 59 59 ILE HD11 H 1 0.714 0.030 . 1 . . . . 59 ILE HD1 . 10142 1 619 . 1 1 59 59 ILE HD12 H 1 0.714 0.030 . 1 . . . . 59 ILE HD1 . 10142 1 620 . 1 1 59 59 ILE HD13 H 1 0.714 0.030 . 1 . . . . 59 ILE HD1 . 10142 1 621 . 1 1 59 59 ILE C C 13 175.709 0.300 . 1 . . . . 59 ILE C . 10142 1 622 . 1 1 59 59 ILE HG12 H 1 0.832 0.030 . 2 . . . . 59 ILE HG12 . 10142 1 623 . 1 1 60 60 VAL N N 15 129.074 0.300 . 1 . . . . 60 VAL N . 10142 1 624 . 1 1 60 60 VAL H H 1 9.543 0.030 . 1 . . . . 60 VAL H . 10142 1 625 . 1 1 60 60 VAL CA C 13 58.472 0.300 . 1 . . . . 60 VAL CA . 10142 1 626 . 1 1 60 60 VAL HA H 1 4.737 0.030 . 1 . . . . 60 VAL HA . 10142 1 627 . 1 1 60 60 VAL CB C 13 34.522 0.300 . 1 . . . . 60 VAL CB . 10142 1 628 . 1 1 60 60 VAL HB H 1 2.092 0.030 . 1 . . . . 60 VAL HB . 10142 1 629 . 1 1 60 60 VAL CG1 C 13 20.870 0.300 . 2 . . . . 60 VAL CG1 . 10142 1 630 . 1 1 60 60 VAL HG11 H 1 0.920 0.030 . 1 . . . . 60 VAL HG1 . 10142 1 631 . 1 1 60 60 VAL HG12 H 1 0.920 0.030 . 1 . . . . 60 VAL HG1 . 10142 1 632 . 1 1 60 60 VAL HG13 H 1 0.920 0.030 . 1 . . . . 60 VAL HG1 . 10142 1 633 . 1 1 60 60 VAL CG2 C 13 20.180 0.300 . 2 . . . . 60 VAL CG2 . 10142 1 634 . 1 1 60 60 VAL HG21 H 1 0.830 0.030 . 1 . . . . 60 VAL HG2 . 10142 1 635 . 1 1 60 60 VAL HG22 H 1 0.830 0.030 . 1 . . . . 60 VAL HG2 . 10142 1 636 . 1 1 60 60 VAL HG23 H 1 0.830 0.030 . 1 . . . . 60 VAL HG2 . 10142 1 637 . 1 1 60 60 VAL C C 13 174.024 0.300 . 1 . . . . 60 VAL C . 10142 1 638 . 1 1 61 61 PRO CA C 13 63.313 0.300 . 1 . . . . 61 PRO CA . 10142 1 639 . 1 1 61 61 PRO HA H 1 4.611 0.030 . 1 . . . . 61 PRO HA . 10142 1 640 . 1 1 61 61 PRO CB C 13 32.270 0.300 . 1 . . . . 61 PRO CB . 10142 1 641 . 1 1 61 61 PRO HB3 H 1 2.434 0.030 . 2 . . . . 61 PRO HB3 . 10142 1 642 . 1 1 61 61 PRO CG C 13 27.366 0.300 . 1 . . . . 61 PRO CG . 10142 1 643 . 1 1 61 61 PRO HG3 H 1 2.230 0.030 . 2 . . . . 61 PRO HG3 . 10142 1 644 . 1 1 61 61 PRO CD C 13 51.191 0.300 . 1 . . . . 61 PRO CD . 10142 1 645 . 1 1 61 61 PRO HD3 H 1 3.926 0.030 . 2 . . . . 61 PRO HD3 . 10142 1 646 . 1 1 61 61 PRO C C 13 177.388 0.300 . 1 . . . . 61 PRO C . 10142 1 647 . 1 1 61 61 PRO HB2 H 1 1.993 0.030 . 2 . . . . 61 PRO HB2 . 10142 1 648 . 1 1 61 61 PRO HD2 H 1 3.894 0.030 . 2 . . . . 61 PRO HD2 . 10142 1 649 . 1 1 61 61 PRO HG2 H 1 2.143 0.030 . 2 . . . . 61 PRO HG2 . 10142 1 650 . 1 1 62 62 MET N N 15 122.153 0.300 . 1 . . . . 62 MET N . 10142 1 651 . 1 1 62 62 MET H H 1 7.843 0.030 . 1 . . . . 62 MET H . 10142 1 652 . 1 1 62 62 MET CA C 13 53.470 0.300 . 1 . . . . 62 MET CA . 10142 1 653 . 1 1 62 62 MET HA H 1 4.765 0.030 . 1 . . . . 62 MET HA . 10142 1 654 . 1 1 62 62 MET CB C 13 33.144 0.300 . 1 . . . . 62 MET CB . 10142 1 655 . 1 1 62 62 MET HB3 H 1 1.987 0.030 . 2 . . . . 62 MET HB3 . 10142 1 656 . 1 1 62 62 MET CG C 13 32.226 0.300 . 1 . . . . 62 MET CG . 10142 1 657 . 1 1 62 62 MET HG3 H 1 2.479 0.030 . 2 . . . . 62 MET HG3 . 10142 1 658 . 1 1 62 62 MET CE C 13 16.842 0.300 . 1 . . . . 62 MET CE . 10142 1 659 . 1 1 62 62 MET HE1 H 1 1.959 0.030 . 1 . . . . 62 MET HE . 10142 1 660 . 1 1 62 62 MET HE2 H 1 1.959 0.030 . 1 . . . . 62 MET HE . 10142 1 661 . 1 1 62 62 MET HE3 H 1 1.959 0.030 . 1 . . . . 62 MET HE . 10142 1 662 . 1 1 62 62 MET C C 13 175.742 0.300 . 1 . . . . 62 MET C . 10142 1 663 . 1 1 62 62 MET HB2 H 1 1.455 0.030 . 2 . . . . 62 MET HB2 . 10142 1 664 . 1 1 62 62 MET HG2 H 1 2.342 0.030 . 2 . . . . 62 MET HG2 . 10142 1 665 . 1 1 63 63 GLY N N 15 109.196 0.300 . 1 . . . . 63 GLY N . 10142 1 666 . 1 1 63 63 GLY H H 1 7.757 0.030 . 1 . . . . 63 GLY H . 10142 1 667 . 1 1 63 63 GLY CA C 13 44.092 0.300 . 1 . . . . 63 GLY CA . 10142 1 668 . 1 1 63 63 GLY HA3 H 1 4.193 0.030 . 2 . . . . 63 GLY HA3 . 10142 1 669 . 1 1 63 63 GLY C C 13 173.451 0.300 . 1 . . . . 63 GLY C . 10142 1 670 . 1 1 63 63 GLY HA2 H 1 3.757 0.030 . 2 . . . . 63 GLY HA2 . 10142 1 671 . 1 1 64 64 LYS CA C 13 58.104 0.300 . 1 . . . . 64 LYS CA . 10142 1 672 . 1 1 64 64 LYS HA H 1 3.994 0.030 . 1 . . . . 64 LYS HA . 10142 1 673 . 1 1 64 64 LYS CB C 13 31.766 0.300 . 1 . . . . 64 LYS CB . 10142 1 674 . 1 1 64 64 LYS HB3 H 1 1.739 0.030 . 1 . . . . 64 LYS HB3 . 10142 1 675 . 1 1 64 64 LYS CG C 13 24.661 0.300 . 1 . . . . 64 LYS CG . 10142 1 676 . 1 1 64 64 LYS HG3 H 1 1.402 0.030 . 2 . . . . 64 LYS HG3 . 10142 1 677 . 1 1 64 64 LYS CD C 13 29.029 0.300 . 1 . . . . 64 LYS CD . 10142 1 678 . 1 1 64 64 LYS HD3 H 1 1.672 0.030 . 1 . . . . 64 LYS HD3 . 10142 1 679 . 1 1 64 64 LYS CE C 13 42.144 0.300 . 1 . . . . 64 LYS CE . 10142 1 680 . 1 1 64 64 LYS HE3 H 1 2.988 0.030 . 1 . . . . 64 LYS HE3 . 10142 1 681 . 1 1 64 64 LYS C C 13 177.657 0.300 . 1 . . . . 64 LYS C . 10142 1 682 . 1 1 64 64 LYS HB2 H 1 1.739 0.030 . 1 . . . . 64 LYS HB2 . 10142 1 683 . 1 1 64 64 LYS HD2 H 1 1.672 0.030 . 1 . . . . 64 LYS HD2 . 10142 1 684 . 1 1 64 64 LYS HE2 H 1 2.988 0.030 . 1 . . . . 64 LYS HE2 . 10142 1 685 . 1 1 64 64 LYS HG2 H 1 1.352 0.030 . 2 . . . . 64 LYS HG2 . 10142 1 686 . 1 1 65 65 ASN N N 15 117.648 0.300 . 1 . . . . 65 ASN N . 10142 1 687 . 1 1 65 65 ASN H H 1 8.860 0.030 . 1 . . . . 65 ASN H . 10142 1 688 . 1 1 65 65 ASN CA C 13 54.222 0.300 . 1 . . . . 65 ASN CA . 10142 1 689 . 1 1 65 65 ASN HA H 1 4.587 0.030 . 1 . . . . 65 ASN HA . 10142 1 690 . 1 1 65 65 ASN CB C 13 38.313 0.300 . 1 . . . . 65 ASN CB . 10142 1 691 . 1 1 65 65 ASN HB3 H 1 3.042 0.030 . 2 . . . . 65 ASN HB3 . 10142 1 692 . 1 1 65 65 ASN ND2 N 15 113.934 0.300 . 1 . . . . 65 ASN ND2 . 10142 1 693 . 1 1 65 65 ASN HD21 H 1 7.673 0.030 . 2 . . . . 65 ASN HD21 . 10142 1 694 . 1 1 65 65 ASN HD22 H 1 7.204 0.030 . 2 . . . . 65 ASN HD22 . 10142 1 695 . 1 1 65 65 ASN C C 13 173.302 0.300 . 1 . . . . 65 ASN C . 10142 1 696 . 1 1 65 65 ASN HB2 H 1 2.878 0.030 . 2 . . . . 65 ASN HB2 . 10142 1 697 . 1 1 66 66 SER N N 15 112.701 0.300 . 1 . . . . 66 SER N . 10142 1 698 . 1 1 66 66 SER H H 1 7.367 0.030 . 1 . . . . 66 SER H . 10142 1 699 . 1 1 66 66 SER CA C 13 57.766 0.300 . 1 . . . . 66 SER CA . 10142 1 700 . 1 1 66 66 SER HA H 1 5.112 0.030 . 1 . . . . 66 SER HA . 10142 1 701 . 1 1 66 66 SER CB C 13 65.000 0.300 . 1 . . . . 66 SER CB . 10142 1 702 . 1 1 66 66 SER HB3 H 1 3.544 0.030 . 2 . . . . 66 SER HB3 . 10142 1 703 . 1 1 66 66 SER C C 13 172.793 0.300 . 1 . . . . 66 SER C . 10142 1 704 . 1 1 66 66 SER HB2 H 1 3.411 0.030 . 2 . . . . 66 SER HB2 . 10142 1 705 . 1 1 67 67 HIS N N 15 124.096 0.300 . 1 . . . . 67 HIS N . 10142 1 706 . 1 1 67 67 HIS H H 1 8.735 0.030 . 1 . . . . 67 HIS H . 10142 1 707 . 1 1 67 67 HIS CA C 13 55.123 0.300 . 1 . . . . 67 HIS CA . 10142 1 708 . 1 1 67 67 HIS HA H 1 4.975 0.030 . 1 . . . . 67 HIS HA . 10142 1 709 . 1 1 67 67 HIS CB C 13 34.914 0.300 . 1 . . . . 67 HIS CB . 10142 1 710 . 1 1 67 67 HIS HB3 H 1 2.781 0.030 . 2 . . . . 67 HIS HB3 . 10142 1 711 . 1 1 67 67 HIS CD2 C 13 118.503 0.300 . 1 . . . . 67 HIS CD2 . 10142 1 712 . 1 1 67 67 HIS HD2 H 1 6.560 0.030 . 1 . . . . 67 HIS HD2 . 10142 1 713 . 1 1 67 67 HIS CE1 C 13 139.392 0.300 . 1 . . . . 67 HIS CE1 . 10142 1 714 . 1 1 67 67 HIS HE1 H 1 7.740 0.030 . 1 . . . . 67 HIS HE1 . 10142 1 715 . 1 1 67 67 HIS C C 13 173.884 0.300 . 1 . . . . 67 HIS C . 10142 1 716 . 1 1 67 67 HIS HB2 H 1 2.532 0.030 . 2 . . . . 67 HIS HB2 . 10142 1 717 . 1 1 68 68 CYS N N 15 122.598 0.300 . 1 . . . . 68 CYS N . 10142 1 718 . 1 1 68 68 CYS H H 1 9.333 0.030 . 1 . . . . 68 CYS H . 10142 1 719 . 1 1 68 68 CYS CA C 13 56.907 0.300 . 1 . . . . 68 CYS CA . 10142 1 720 . 1 1 68 68 CYS HA H 1 5.311 0.030 . 1 . . . . 68 CYS HA . 10142 1 721 . 1 1 68 68 CYS CB C 13 29.314 0.300 . 1 . . . . 68 CYS CB . 10142 1 722 . 1 1 68 68 CYS HB3 H 1 2.814 0.030 . 2 . . . . 68 CYS HB3 . 10142 1 723 . 1 1 68 68 CYS C C 13 173.554 0.300 . 1 . . . . 68 CYS C . 10142 1 724 . 1 1 68 68 CYS HB2 H 1 2.712 0.030 . 2 . . . . 68 CYS HB2 . 10142 1 725 . 1 1 69 69 VAL N N 15 128.613 0.300 . 1 . . . . 69 VAL N . 10142 1 726 . 1 1 69 69 VAL H H 1 9.074 0.030 . 1 . . . . 69 VAL H . 10142 1 727 . 1 1 69 69 VAL CA C 13 61.632 0.300 . 1 . . . . 69 VAL CA . 10142 1 728 . 1 1 69 69 VAL HA H 1 4.725 0.030 . 1 . . . . 69 VAL HA . 10142 1 729 . 1 1 69 69 VAL CB C 13 32.387 0.300 . 1 . . . . 69 VAL CB . 10142 1 730 . 1 1 69 69 VAL HB H 1 2.032 0.030 . 1 . . . . 69 VAL HB . 10142 1 731 . 1 1 69 69 VAL CG1 C 13 21.671 0.300 . 2 . . . . 69 VAL CG1 . 10142 1 732 . 1 1 69 69 VAL HG11 H 1 0.639 0.030 . 1 . . . . 69 VAL HG1 . 10142 1 733 . 1 1 69 69 VAL HG12 H 1 0.639 0.030 . 1 . . . . 69 VAL HG1 . 10142 1 734 . 1 1 69 69 VAL HG13 H 1 0.639 0.030 . 1 . . . . 69 VAL HG1 . 10142 1 735 . 1 1 69 69 VAL CG2 C 13 21.545 0.300 . 2 . . . . 69 VAL CG2 . 10142 1 736 . 1 1 69 69 VAL HG21 H 1 0.789 0.030 . 1 . . . . 69 VAL HG2 . 10142 1 737 . 1 1 69 69 VAL HG22 H 1 0.789 0.030 . 1 . . . . 69 VAL HG2 . 10142 1 738 . 1 1 69 69 VAL HG23 H 1 0.789 0.030 . 1 . . . . 69 VAL HG2 . 10142 1 739 . 1 1 69 69 VAL C C 13 174.230 0.300 . 1 . . . . 69 VAL C . 10142 1 740 . 1 1 70 70 ARG N N 15 128.053 0.300 . 1 . . . . 70 ARG N . 10142 1 741 . 1 1 70 70 ARG H H 1 9.052 0.030 . 1 . . . . 70 ARG H . 10142 1 742 . 1 1 70 70 ARG CA C 13 54.797 0.300 . 1 . . . . 70 ARG CA . 10142 1 743 . 1 1 70 70 ARG HA H 1 5.761 0.030 . 1 . . . . 70 ARG HA . 10142 1 744 . 1 1 70 70 ARG CB C 13 34.395 0.300 . 1 . . . . 70 ARG CB . 10142 1 745 . 1 1 70 70 ARG HB3 H 1 1.738 0.030 . 2 . . . . 70 ARG HB3 . 10142 1 746 . 1 1 70 70 ARG CG C 13 26.350 0.300 . 1 . . . . 70 ARG CG . 10142 1 747 . 1 1 70 70 ARG HG3 H 1 1.530 0.030 . 2 . . . . 70 ARG HG3 . 10142 1 748 . 1 1 70 70 ARG CD C 13 43.770 0.300 . 1 . . . . 70 ARG CD . 10142 1 749 . 1 1 70 70 ARG HD3 H 1 3.040 0.030 . 2 . . . . 70 ARG HD3 . 10142 1 750 . 1 1 70 70 ARG HE H 1 6.747 0.030 . 1 . . . . 70 ARG HE . 10142 1 751 . 1 1 70 70 ARG C C 13 175.918 0.300 . 1 . . . . 70 ARG C . 10142 1 752 . 1 1 70 70 ARG HB2 H 1 1.607 0.030 . 2 . . . . 70 ARG HB2 . 10142 1 753 . 1 1 70 70 ARG HD2 H 1 2.899 0.030 . 2 . . . . 70 ARG HD2 . 10142 1 754 . 1 1 70 70 ARG HG2 H 1 1.482 0.030 . 2 . . . . 70 ARG HG2 . 10142 1 755 . 1 1 71 71 PHE N N 15 122.942 0.300 . 1 . . . . 71 PHE N . 10142 1 756 . 1 1 71 71 PHE H H 1 8.702 0.030 . 1 . . . . 71 PHE H . 10142 1 757 . 1 1 71 71 PHE CA C 13 55.748 0.300 . 1 . . . . 71 PHE CA . 10142 1 758 . 1 1 71 71 PHE HA H 1 4.936 0.030 . 1 . . . . 71 PHE HA . 10142 1 759 . 1 1 71 71 PHE CB C 13 41.245 0.300 . 1 . . . . 71 PHE CB . 10142 1 760 . 1 1 71 71 PHE HB3 H 1 3.034 0.030 . 1 . . . . 71 PHE HB3 . 10142 1 761 . 1 1 71 71 PHE CD1 C 13 132.091 0.300 . 1 . . . . 71 PHE CD1 . 10142 1 762 . 1 1 71 71 PHE HD1 H 1 6.874 0.030 . 1 . . . . 71 PHE HD1 . 10142 1 763 . 1 1 71 71 PHE CD2 C 13 132.091 0.300 . 1 . . . . 71 PHE CD2 . 10142 1 764 . 1 1 71 71 PHE HD2 H 1 6.874 0.030 . 1 . . . . 71 PHE HD2 . 10142 1 765 . 1 1 71 71 PHE CE1 C 13 130.499 0.300 . 1 . . . . 71 PHE CE1 . 10142 1 766 . 1 1 71 71 PHE HE1 H 1 6.784 0.030 . 1 . . . . 71 PHE HE1 . 10142 1 767 . 1 1 71 71 PHE CE2 C 13 130.499 0.300 . 1 . . . . 71 PHE CE2 . 10142 1 768 . 1 1 71 71 PHE HE2 H 1 6.784 0.030 . 1 . . . . 71 PHE HE2 . 10142 1 769 . 1 1 71 71 PHE CZ C 13 129.046 0.300 . 1 . . . . 71 PHE CZ . 10142 1 770 . 1 1 71 71 PHE HZ H 1 6.567 0.030 . 1 . . . . 71 PHE HZ . 10142 1 771 . 1 1 71 71 PHE C C 13 171.709 0.300 . 1 . . . . 71 PHE C . 10142 1 772 . 1 1 71 71 PHE HB2 H 1 3.034 0.030 . 1 . . . . 71 PHE HB2 . 10142 1 773 . 1 1 72 72 VAL N N 15 122.214 0.300 . 1 . . . . 72 VAL N . 10142 1 774 . 1 1 72 72 VAL H H 1 8.512 0.030 . 1 . . . . 72 VAL H . 10142 1 775 . 1 1 72 72 VAL CA C 13 58.398 0.300 . 1 . . . . 72 VAL CA . 10142 1 776 . 1 1 72 72 VAL HA H 1 4.752 0.030 . 1 . . . . 72 VAL HA . 10142 1 777 . 1 1 72 72 VAL CB C 13 32.747 0.300 . 1 . . . . 72 VAL CB . 10142 1 778 . 1 1 72 72 VAL HB H 1 1.933 0.030 . 1 . . . . 72 VAL HB . 10142 1 779 . 1 1 72 72 VAL CG1 C 13 20.351 0.300 . 2 . . . . 72 VAL CG1 . 10142 1 780 . 1 1 72 72 VAL HG11 H 1 0.595 0.030 . 1 . . . . 72 VAL HG1 . 10142 1 781 . 1 1 72 72 VAL HG12 H 1 0.595 0.030 . 1 . . . . 72 VAL HG1 . 10142 1 782 . 1 1 72 72 VAL HG13 H 1 0.595 0.030 . 1 . . . . 72 VAL HG1 . 10142 1 783 . 1 1 72 72 VAL CG2 C 13 20.940 0.300 . 2 . . . . 72 VAL CG2 . 10142 1 784 . 1 1 72 72 VAL HG21 H 1 0.751 0.030 . 1 . . . . 72 VAL HG2 . 10142 1 785 . 1 1 72 72 VAL HG22 H 1 0.751 0.030 . 1 . . . . 72 VAL HG2 . 10142 1 786 . 1 1 72 72 VAL HG23 H 1 0.751 0.030 . 1 . . . . 72 VAL HG2 . 10142 1 787 . 1 1 72 72 VAL C C 13 174.416 0.300 . 1 . . . . 72 VAL C . 10142 1 788 . 1 1 73 73 PRO CA C 13 62.606 0.300 . 1 . . . . 73 PRO CA . 10142 1 789 . 1 1 73 73 PRO HA H 1 4.646 0.030 . 1 . . . . 73 PRO HA . 10142 1 790 . 1 1 73 73 PRO CB C 13 33.679 0.300 . 1 . . . . 73 PRO CB . 10142 1 791 . 1 1 73 73 PRO HB3 H 1 2.124 0.030 . 2 . . . . 73 PRO HB3 . 10142 1 792 . 1 1 73 73 PRO CG C 13 27.751 0.300 . 1 . . . . 73 PRO CG . 10142 1 793 . 1 1 73 73 PRO HG3 H 1 1.600 0.030 . 2 . . . . 73 PRO HG3 . 10142 1 794 . 1 1 73 73 PRO CD C 13 51.721 0.300 . 1 . . . . 73 PRO CD . 10142 1 795 . 1 1 73 73 PRO HD3 H 1 3.385 0.030 . 2 . . . . 73 PRO HD3 . 10142 1 796 . 1 1 73 73 PRO C C 13 176.757 0.300 . 1 . . . . 73 PRO C . 10142 1 797 . 1 1 73 73 PRO HB2 H 1 1.908 0.030 . 2 . . . . 73 PRO HB2 . 10142 1 798 . 1 1 73 73 PRO HD2 H 1 4.309 0.030 . 2 . . . . 73 PRO HD2 . 10142 1 799 . 1 1 73 73 PRO HG2 H 1 1.914 0.030 . 2 . . . . 73 PRO HG2 . 10142 1 800 . 1 1 74 74 GLN N N 15 119.992 0.300 . 1 . . . . 74 GLN N . 10142 1 801 . 1 1 74 74 GLN H H 1 9.869 0.030 . 1 . . . . 74 GLN H . 10142 1 802 . 1 1 74 74 GLN CA C 13 55.156 0.300 . 1 . . . . 74 GLN CA . 10142 1 803 . 1 1 74 74 GLN HA H 1 4.602 0.030 . 1 . . . . 74 GLN HA . 10142 1 804 . 1 1 74 74 GLN CB C 13 31.405 0.300 . 1 . . . . 74 GLN CB . 10142 1 805 . 1 1 74 74 GLN HB3 H 1 2.413 0.030 . 2 . . . . 74 GLN HB3 . 10142 1 806 . 1 1 74 74 GLN CG C 13 33.675 0.300 . 1 . . . . 74 GLN CG . 10142 1 807 . 1 1 74 74 GLN HG3 H 1 2.459 0.030 . 1 . . . . 74 GLN HG3 . 10142 1 808 . 1 1 74 74 GLN NE2 N 15 112.373 0.300 . 1 . . . . 74 GLN NE2 . 10142 1 809 . 1 1 74 74 GLN HE21 H 1 7.424 0.030 . 2 . . . . 74 GLN HE21 . 10142 1 810 . 1 1 74 74 GLN HE22 H 1 6.902 0.030 . 2 . . . . 74 GLN HE22 . 10142 1 811 . 1 1 74 74 GLN C C 13 174.987 0.300 . 1 . . . . 74 GLN C . 10142 1 812 . 1 1 74 74 GLN HB2 H 1 1.948 0.030 . 2 . . . . 74 GLN HB2 . 10142 1 813 . 1 1 74 74 GLN HG2 H 1 2.459 0.030 . 1 . . . . 74 GLN HG2 . 10142 1 814 . 1 1 75 75 GLU N N 15 119.264 0.300 . 1 . . . . 75 GLU N . 10142 1 815 . 1 1 75 75 GLU H H 1 8.009 0.030 . 1 . . . . 75 GLU H . 10142 1 816 . 1 1 75 75 GLU CA C 13 54.138 0.300 . 1 . . . . 75 GLU CA . 10142 1 817 . 1 1 75 75 GLU HA H 1 4.657 0.030 . 1 . . . . 75 GLU HA . 10142 1 818 . 1 1 75 75 GLU CB C 13 34.046 0.300 . 1 . . . . 75 GLU CB . 10142 1 819 . 1 1 75 75 GLU HB3 H 1 2.240 0.030 . 2 . . . . 75 GLU HB3 . 10142 1 820 . 1 1 75 75 GLU CG C 13 35.774 0.300 . 1 . . . . 75 GLU CG . 10142 1 821 . 1 1 75 75 GLU HG3 H 1 2.425 0.030 . 2 . . . . 75 GLU HG3 . 10142 1 822 . 1 1 75 75 GLU C C 13 173.922 0.300 . 1 . . . . 75 GLU C . 10142 1 823 . 1 1 75 75 GLU HB2 H 1 1.959 0.030 . 2 . . . . 75 GLU HB2 . 10142 1 824 . 1 1 75 75 GLU HG2 H 1 2.231 0.030 . 2 . . . . 75 GLU HG2 . 10142 1 825 . 1 1 76 76 MET N N 15 117.176 0.300 . 1 . . . . 76 MET N . 10142 1 826 . 1 1 76 76 MET H H 1 8.450 0.030 . 1 . . . . 76 MET H . 10142 1 827 . 1 1 76 76 MET CA C 13 55.468 0.300 . 1 . . . . 76 MET CA . 10142 1 828 . 1 1 76 76 MET HA H 1 4.275 0.030 . 1 . . . . 76 MET HA . 10142 1 829 . 1 1 76 76 MET CB C 13 34.487 0.300 . 1 . . . . 76 MET CB . 10142 1 830 . 1 1 76 76 MET HB3 H 1 2.084 0.030 . 2 . . . . 76 MET HB3 . 10142 1 831 . 1 1 76 76 MET CG C 13 32.380 0.300 . 1 . . . . 76 MET CG . 10142 1 832 . 1 1 76 76 MET HG3 H 1 2.559 0.030 . 2 . . . . 76 MET HG3 . 10142 1 833 . 1 1 76 76 MET CE C 13 17.278 0.300 . 1 . . . . 76 MET CE . 10142 1 834 . 1 1 76 76 MET HE1 H 1 2.156 0.030 . 1 . . . . 76 MET HE . 10142 1 835 . 1 1 76 76 MET HE2 H 1 2.156 0.030 . 1 . . . . 76 MET HE . 10142 1 836 . 1 1 76 76 MET HE3 H 1 2.156 0.030 . 1 . . . . 76 MET HE . 10142 1 837 . 1 1 76 76 MET C C 13 175.964 0.300 . 1 . . . . 76 MET C . 10142 1 838 . 1 1 76 76 MET HB2 H 1 2.002 0.030 . 2 . . . . 76 MET HB2 . 10142 1 839 . 1 1 76 76 MET HG2 H 1 2.446 0.030 . 2 . . . . 76 MET HG2 . 10142 1 840 . 1 1 77 77 GLY N N 15 106.906 0.300 . 1 . . . . 77 GLY N . 10142 1 841 . 1 1 77 77 GLY H H 1 9.058 0.030 . 1 . . . . 77 GLY H . 10142 1 842 . 1 1 77 77 GLY CA C 13 43.832 0.300 . 1 . . . . 77 GLY CA . 10142 1 843 . 1 1 77 77 GLY HA3 H 1 3.944 0.030 . 2 . . . . 77 GLY HA3 . 10142 1 844 . 1 1 77 77 GLY C C 13 176.459 0.300 . 1 . . . . 77 GLY C . 10142 1 845 . 1 1 77 77 GLY HA2 H 1 4.787 0.030 . 2 . . . . 77 GLY HA2 . 10142 1 846 . 1 1 78 78 VAL N N 15 125.184 0.300 . 1 . . . . 78 VAL N . 10142 1 847 . 1 1 78 78 VAL H H 1 9.293 0.030 . 1 . . . . 78 VAL H . 10142 1 848 . 1 1 78 78 VAL CA C 13 64.999 0.300 . 1 . . . . 78 VAL CA . 10142 1 849 . 1 1 78 78 VAL HA H 1 4.178 0.030 . 1 . . . . 78 VAL HA . 10142 1 850 . 1 1 78 78 VAL CB C 13 31.558 0.300 . 1 . . . . 78 VAL CB . 10142 1 851 . 1 1 78 78 VAL HB H 1 1.983 0.030 . 1 . . . . 78 VAL HB . 10142 1 852 . 1 1 78 78 VAL CG1 C 13 21.638 0.300 . 2 . . . . 78 VAL CG1 . 10142 1 853 . 1 1 78 78 VAL HG11 H 1 1.018 0.030 . 1 . . . . 78 VAL HG1 . 10142 1 854 . 1 1 78 78 VAL HG12 H 1 1.018 0.030 . 1 . . . . 78 VAL HG1 . 10142 1 855 . 1 1 78 78 VAL HG13 H 1 1.018 0.030 . 1 . . . . 78 VAL HG1 . 10142 1 856 . 1 1 78 78 VAL CG2 C 13 21.326 0.300 . 2 . . . . 78 VAL CG2 . 10142 1 857 . 1 1 78 78 VAL HG21 H 1 0.787 0.030 . 1 . . . . 78 VAL HG2 . 10142 1 858 . 1 1 78 78 VAL HG22 H 1 0.787 0.030 . 1 . . . . 78 VAL HG2 . 10142 1 859 . 1 1 78 78 VAL HG23 H 1 0.787 0.030 . 1 . . . . 78 VAL HG2 . 10142 1 860 . 1 1 78 78 VAL C C 13 175.942 0.300 . 1 . . . . 78 VAL C . 10142 1 861 . 1 1 79 79 HIS N N 15 128.345 0.300 . 1 . . . . 79 HIS N . 10142 1 862 . 1 1 79 79 HIS H H 1 9.553 0.030 . 1 . . . . 79 HIS H . 10142 1 863 . 1 1 79 79 HIS CA C 13 55.063 0.300 . 1 . . . . 79 HIS CA . 10142 1 864 . 1 1 79 79 HIS HA H 1 4.798 0.030 . 1 . . . . 79 HIS HA . 10142 1 865 . 1 1 79 79 HIS CB C 13 31.489 0.300 . 1 . . . . 79 HIS CB . 10142 1 866 . 1 1 79 79 HIS HB3 H 1 2.590 0.030 . 2 . . . . 79 HIS HB3 . 10142 1 867 . 1 1 79 79 HIS CD2 C 13 127.530 0.300 . 1 . . . . 79 HIS CD2 . 10142 1 868 . 1 1 79 79 HIS HD2 H 1 6.617 0.030 . 1 . . . . 79 HIS HD2 . 10142 1 869 . 1 1 79 79 HIS CE1 C 13 140.340 0.300 . 1 . . . . 79 HIS CE1 . 10142 1 870 . 1 1 79 79 HIS HE1 H 1 7.890 0.030 . 1 . . . . 79 HIS HE1 . 10142 1 871 . 1 1 79 79 HIS C C 13 174.069 0.300 . 1 . . . . 79 HIS C . 10142 1 872 . 1 1 79 79 HIS HB2 H 1 2.448 0.030 . 2 . . . . 79 HIS HB2 . 10142 1 873 . 1 1 80 80 THR N N 15 114.672 0.300 . 1 . . . . 80 THR N . 10142 1 874 . 1 1 80 80 THR H H 1 8.452 0.030 . 1 . . . . 80 THR H . 10142 1 875 . 1 1 80 80 THR CA C 13 61.075 0.300 . 1 . . . . 80 THR CA . 10142 1 876 . 1 1 80 80 THR HA H 1 5.213 0.030 . 1 . . . . 80 THR HA . 10142 1 877 . 1 1 80 80 THR CB C 13 70.795 0.300 . 1 . . . . 80 THR CB . 10142 1 878 . 1 1 80 80 THR HB H 1 3.908 0.030 . 1 . . . . 80 THR HB . 10142 1 879 . 1 1 80 80 THR CG2 C 13 21.957 0.300 . 1 . . . . 80 THR CG2 . 10142 1 880 . 1 1 80 80 THR HG21 H 1 1.145 0.030 . 1 . . . . 80 THR HG2 . 10142 1 881 . 1 1 80 80 THR HG22 H 1 1.145 0.030 . 1 . . . . 80 THR HG2 . 10142 1 882 . 1 1 80 80 THR HG23 H 1 1.145 0.030 . 1 . . . . 80 THR HG2 . 10142 1 883 . 1 1 80 80 THR C C 13 173.863 0.300 . 1 . . . . 80 THR C . 10142 1 884 . 1 1 81 81 VAL N N 15 127.546 0.300 . 1 . . . . 81 VAL N . 10142 1 885 . 1 1 81 81 VAL H H 1 9.701 0.030 . 1 . . . . 81 VAL H . 10142 1 886 . 1 1 81 81 VAL CA C 13 60.799 0.300 . 1 . . . . 81 VAL CA . 10142 1 887 . 1 1 81 81 VAL HA H 1 4.782 0.030 . 1 . . . . 81 VAL HA . 10142 1 888 . 1 1 81 81 VAL CB C 13 33.635 0.300 . 1 . . . . 81 VAL CB . 10142 1 889 . 1 1 81 81 VAL HB H 1 1.844 0.030 . 1 . . . . 81 VAL HB . 10142 1 890 . 1 1 81 81 VAL CG1 C 13 21.009 0.300 . 2 . . . . 81 VAL CG1 . 10142 1 891 . 1 1 81 81 VAL HG11 H 1 0.697 0.030 . 1 . . . . 81 VAL HG1 . 10142 1 892 . 1 1 81 81 VAL HG12 H 1 0.697 0.030 . 1 . . . . 81 VAL HG1 . 10142 1 893 . 1 1 81 81 VAL HG13 H 1 0.697 0.030 . 1 . . . . 81 VAL HG1 . 10142 1 894 . 1 1 81 81 VAL CG2 C 13 21.303 0.300 . 2 . . . . 81 VAL CG2 . 10142 1 895 . 1 1 81 81 VAL HG21 H 1 0.680 0.030 . 1 . . . . 81 VAL HG2 . 10142 1 896 . 1 1 81 81 VAL HG22 H 1 0.680 0.030 . 1 . . . . 81 VAL HG2 . 10142 1 897 . 1 1 81 81 VAL HG23 H 1 0.680 0.030 . 1 . . . . 81 VAL HG2 . 10142 1 898 . 1 1 81 81 VAL C C 13 174.707 0.300 . 1 . . . . 81 VAL C . 10142 1 899 . 1 1 82 82 SER N N 15 123.308 0.300 . 1 . . . . 82 SER N . 10142 1 900 . 1 1 82 82 SER H H 1 9.104 0.030 . 1 . . . . 82 SER H . 10142 1 901 . 1 1 82 82 SER CA C 13 56.981 0.300 . 1 . . . . 82 SER CA . 10142 1 902 . 1 1 82 82 SER HA H 1 5.108 0.030 . 1 . . . . 82 SER HA . 10142 1 903 . 1 1 82 82 SER CB C 13 64.728 0.300 . 1 . . . . 82 SER CB . 10142 1 904 . 1 1 82 82 SER HB3 H 1 3.632 0.030 . 2 . . . . 82 SER HB3 . 10142 1 905 . 1 1 82 82 SER C C 13 173.688 0.300 . 1 . . . . 82 SER C . 10142 1 906 . 1 1 82 82 SER HB2 H 1 3.757 0.030 . 2 . . . . 82 SER HB2 . 10142 1 907 . 1 1 83 83 VAL N N 15 129.049 0.300 . 1 . . . . 83 VAL N . 10142 1 908 . 1 1 83 83 VAL H H 1 9.925 0.030 . 1 . . . . 83 VAL H . 10142 1 909 . 1 1 83 83 VAL CA C 13 61.669 0.300 . 1 . . . . 83 VAL CA . 10142 1 910 . 1 1 83 83 VAL HA H 1 4.897 0.030 . 1 . . . . 83 VAL HA . 10142 1 911 . 1 1 83 83 VAL CB C 13 33.590 0.300 . 1 . . . . 83 VAL CB . 10142 1 912 . 1 1 83 83 VAL HB H 1 2.087 0.030 . 1 . . . . 83 VAL HB . 10142 1 913 . 1 1 83 83 VAL CG1 C 13 22.435 0.300 . 2 . . . . 83 VAL CG1 . 10142 1 914 . 1 1 83 83 VAL HG11 H 1 0.828 0.030 . 1 . . . . 83 VAL HG1 . 10142 1 915 . 1 1 83 83 VAL HG12 H 1 0.828 0.030 . 1 . . . . 83 VAL HG1 . 10142 1 916 . 1 1 83 83 VAL HG13 H 1 0.828 0.030 . 1 . . . . 83 VAL HG1 . 10142 1 917 . 1 1 83 83 VAL CG2 C 13 21.486 0.300 . 2 . . . . 83 VAL CG2 . 10142 1 918 . 1 1 83 83 VAL HG21 H 1 0.945 0.030 . 1 . . . . 83 VAL HG2 . 10142 1 919 . 1 1 83 83 VAL HG22 H 1 0.945 0.030 . 1 . . . . 83 VAL HG2 . 10142 1 920 . 1 1 83 83 VAL HG23 H 1 0.945 0.030 . 1 . . . . 83 VAL HG2 . 10142 1 921 . 1 1 83 83 VAL C C 13 174.094 0.300 . 1 . . . . 83 VAL C . 10142 1 922 . 1 1 84 84 LYS N N 15 123.792 0.300 . 1 . . . . 84 LYS N . 10142 1 923 . 1 1 84 84 LYS H H 1 8.768 0.030 . 1 . . . . 84 LYS H . 10142 1 924 . 1 1 84 84 LYS CA C 13 54.435 0.300 . 1 . . . . 84 LYS CA . 10142 1 925 . 1 1 84 84 LYS HA H 1 5.153 0.030 . 1 . . . . 84 LYS HA . 10142 1 926 . 1 1 84 84 LYS CB C 13 37.608 0.300 . 1 . . . . 84 LYS CB . 10142 1 927 . 1 1 84 84 LYS HB3 H 1 1.070 0.030 . 2 . . . . 84 LYS HB3 . 10142 1 928 . 1 1 84 84 LYS CG C 13 25.103 0.300 . 1 . . . . 84 LYS CG . 10142 1 929 . 1 1 84 84 LYS HG3 H 1 0.924 0.030 . 2 . . . . 84 LYS HG3 . 10142 1 930 . 1 1 84 84 LYS CD C 13 29.293 0.300 . 1 . . . . 84 LYS CD . 10142 1 931 . 1 1 84 84 LYS HD3 H 1 1.192 0.030 . 2 . . . . 84 LYS HD3 . 10142 1 932 . 1 1 84 84 LYS CE C 13 41.242 0.300 . 1 . . . . 84 LYS CE . 10142 1 933 . 1 1 84 84 LYS HE3 H 1 2.163 0.030 . 2 . . . . 84 LYS HE3 . 10142 1 934 . 1 1 84 84 LYS C C 13 174.908 0.300 . 1 . . . . 84 LYS C . 10142 1 935 . 1 1 84 84 LYS HB2 H 1 1.552 0.030 . 2 . . . . 84 LYS HB2 . 10142 1 936 . 1 1 84 84 LYS HD2 H 1 0.915 0.030 . 2 . . . . 84 LYS HD2 . 10142 1 937 . 1 1 84 84 LYS HE2 H 1 1.879 0.030 . 2 . . . . 84 LYS HE2 . 10142 1 938 . 1 1 84 84 LYS HG2 H 1 0.341 0.030 . 2 . . . . 84 LYS HG2 . 10142 1 939 . 1 1 85 85 TYR N N 15 120.439 0.300 . 1 . . . . 85 TYR N . 10142 1 940 . 1 1 85 85 TYR H H 1 8.926 0.030 . 1 . . . . 85 TYR H . 10142 1 941 . 1 1 85 85 TYR CA C 13 56.005 0.300 . 1 . . . . 85 TYR CA . 10142 1 942 . 1 1 85 85 TYR HA H 1 4.938 0.030 . 1 . . . . 85 TYR HA . 10142 1 943 . 1 1 85 85 TYR CB C 13 41.386 0.300 . 1 . . . . 85 TYR CB . 10142 1 944 . 1 1 85 85 TYR HB3 H 1 2.816 0.030 . 2 . . . . 85 TYR HB3 . 10142 1 945 . 1 1 85 85 TYR CD1 C 13 133.322 0.300 . 1 . . . . 85 TYR CD1 . 10142 1 946 . 1 1 85 85 TYR HD1 H 1 7.068 0.030 . 1 . . . . 85 TYR HD1 . 10142 1 947 . 1 1 85 85 TYR CD2 C 13 133.322 0.300 . 1 . . . . 85 TYR CD2 . 10142 1 948 . 1 1 85 85 TYR HD2 H 1 7.068 0.030 . 1 . . . . 85 TYR HD2 . 10142 1 949 . 1 1 85 85 TYR CE1 C 13 118.331 0.300 . 1 . . . . 85 TYR CE1 . 10142 1 950 . 1 1 85 85 TYR HE1 H 1 6.865 0.030 . 1 . . . . 85 TYR HE1 . 10142 1 951 . 1 1 85 85 TYR CE2 C 13 118.331 0.300 . 1 . . . . 85 TYR CE2 . 10142 1 952 . 1 1 85 85 TYR HE2 H 1 6.865 0.030 . 1 . . . . 85 TYR HE2 . 10142 1 953 . 1 1 85 85 TYR C C 13 175.255 0.300 . 1 . . . . 85 TYR C . 10142 1 954 . 1 1 85 85 TYR HB2 H 1 2.684 0.030 . 2 . . . . 85 TYR HB2 . 10142 1 955 . 1 1 86 86 ARG N N 15 127.150 0.300 . 1 . . . . 86 ARG N . 10142 1 956 . 1 1 86 86 ARG H H 1 9.115 0.030 . 1 . . . . 86 ARG H . 10142 1 957 . 1 1 86 86 ARG CA C 13 57.122 0.300 . 1 . . . . 86 ARG CA . 10142 1 958 . 1 1 86 86 ARG HA H 1 3.659 0.030 . 1 . . . . 86 ARG HA . 10142 1 959 . 1 1 86 86 ARG CB C 13 27.563 0.300 . 1 . . . . 86 ARG CB . 10142 1 960 . 1 1 86 86 ARG HB3 H 1 1.716 0.030 . 2 . . . . 86 ARG HB3 . 10142 1 961 . 1 1 86 86 ARG CG C 13 26.970 0.300 . 1 . . . . 86 ARG CG . 10142 1 962 . 1 1 86 86 ARG HG3 H 1 0.442 0.030 . 2 . . . . 86 ARG HG3 . 10142 1 963 . 1 1 86 86 ARG CD C 13 43.765 0.300 . 1 . . . . 86 ARG CD . 10142 1 964 . 1 1 86 86 ARG HD3 H 1 2.859 0.030 . 2 . . . . 86 ARG HD3 . 10142 1 965 . 1 1 86 86 ARG C C 13 176.482 0.300 . 1 . . . . 86 ARG C . 10142 1 966 . 1 1 86 86 ARG HB2 H 1 1.360 0.030 . 2 . . . . 86 ARG HB2 . 10142 1 967 . 1 1 86 86 ARG HD2 H 1 2.815 0.030 . 2 . . . . 86 ARG HD2 . 10142 1 968 . 1 1 86 86 ARG HG2 H 1 0.971 0.030 . 2 . . . . 86 ARG HG2 . 10142 1 969 . 1 1 87 87 GLY N N 15 102.394 0.300 . 1 . . . . 87 GLY N . 10142 1 970 . 1 1 87 87 GLY H H 1 8.564 0.030 . 1 . . . . 87 GLY H . 10142 1 971 . 1 1 87 87 GLY CA C 13 45.388 0.300 . 1 . . . . 87 GLY CA . 10142 1 972 . 1 1 87 87 GLY HA3 H 1 4.099 0.030 . 2 . . . . 87 GLY HA3 . 10142 1 973 . 1 1 87 87 GLY C C 13 173.631 0.300 . 1 . . . . 87 GLY C . 10142 1 974 . 1 1 87 87 GLY HA2 H 1 3.460 0.030 . 2 . . . . 87 GLY HA2 . 10142 1 975 . 1 1 88 88 GLN N N 15 119.060 0.300 . 1 . . . . 88 GLN N . 10142 1 976 . 1 1 88 88 GLN H H 1 7.665 0.030 . 1 . . . . 88 GLN H . 10142 1 977 . 1 1 88 88 GLN CA C 13 53.265 0.300 . 1 . . . . 88 GLN CA . 10142 1 978 . 1 1 88 88 GLN HA H 1 4.749 0.030 . 1 . . . . 88 GLN HA . 10142 1 979 . 1 1 88 88 GLN CB C 13 31.383 0.300 . 1 . . . . 88 GLN CB . 10142 1 980 . 1 1 88 88 GLN HB3 H 1 2.215 0.030 . 2 . . . . 88 GLN HB3 . 10142 1 981 . 1 1 88 88 GLN CG C 13 33.233 0.300 . 1 . . . . 88 GLN CG . 10142 1 982 . 1 1 88 88 GLN HG3 H 1 2.423 0.030 . 2 . . . . 88 GLN HG3 . 10142 1 983 . 1 1 88 88 GLN NE2 N 15 112.806 0.300 . 1 . . . . 88 GLN NE2 . 10142 1 984 . 1 1 88 88 GLN HE21 H 1 6.900 0.030 . 2 . . . . 88 GLN HE21 . 10142 1 985 . 1 1 88 88 GLN HE22 H 1 7.593 0.030 . 2 . . . . 88 GLN HE22 . 10142 1 986 . 1 1 88 88 GLN C C 13 175.689 0.300 . 1 . . . . 88 GLN C . 10142 1 987 . 1 1 88 88 GLN HB2 H 1 1.992 0.030 . 2 . . . . 88 GLN HB2 . 10142 1 988 . 1 1 88 88 GLN HG2 H 1 2.330 0.030 . 2 . . . . 88 GLN HG2 . 10142 1 989 . 1 1 89 89 HIS N N 15 123.344 0.300 . 1 . . . . 89 HIS N . 10142 1 990 . 1 1 89 89 HIS H H 1 8.789 0.030 . 1 . . . . 89 HIS H . 10142 1 991 . 1 1 89 89 HIS CA C 13 59.011 0.300 . 1 . . . . 89 HIS CA . 10142 1 992 . 1 1 89 89 HIS HA H 1 4.546 0.030 . 1 . . . . 89 HIS HA . 10142 1 993 . 1 1 89 89 HIS CB C 13 32.365 0.300 . 1 . . . . 89 HIS CB . 10142 1 994 . 1 1 89 89 HIS HB3 H 1 3.221 0.030 . 2 . . . . 89 HIS HB3 . 10142 1 995 . 1 1 89 89 HIS CD2 C 13 118.312 0.300 . 1 . . . . 89 HIS CD2 . 10142 1 996 . 1 1 89 89 HIS HD2 H 1 7.216 0.030 . 1 . . . . 89 HIS HD2 . 10142 1 997 . 1 1 89 89 HIS CE1 C 13 137.539 0.300 . 1 . . . . 89 HIS CE1 . 10142 1 998 . 1 1 89 89 HIS HE1 H 1 7.682 0.030 . 1 . . . . 89 HIS HE1 . 10142 1 999 . 1 1 89 89 HIS C C 13 178.152 0.300 . 1 . . . . 89 HIS C . 10142 1 1000 . 1 1 89 89 HIS HB2 H 1 2.923 0.030 . 2 . . . . 89 HIS HB2 . 10142 1 1001 . 1 1 90 90 VAL N N 15 117.749 0.300 . 1 . . . . 90 VAL N . 10142 1 1002 . 1 1 90 90 VAL H H 1 8.436 0.030 . 1 . . . . 90 VAL H . 10142 1 1003 . 1 1 90 90 VAL CA C 13 60.473 0.300 . 1 . . . . 90 VAL CA . 10142 1 1004 . 1 1 90 90 VAL HA H 1 4.535 0.030 . 1 . . . . 90 VAL HA . 10142 1 1005 . 1 1 90 90 VAL CB C 13 32.489 0.300 . 1 . . . . 90 VAL CB . 10142 1 1006 . 1 1 90 90 VAL HB H 1 2.487 0.030 . 1 . . . . 90 VAL HB . 10142 1 1007 . 1 1 90 90 VAL CG1 C 13 21.920 0.300 . 2 . . . . 90 VAL CG1 . 10142 1 1008 . 1 1 90 90 VAL HG11 H 1 0.984 0.030 . 1 . . . . 90 VAL HG1 . 10142 1 1009 . 1 1 90 90 VAL HG12 H 1 0.984 0.030 . 1 . . . . 90 VAL HG1 . 10142 1 1010 . 1 1 90 90 VAL HG13 H 1 0.984 0.030 . 1 . . . . 90 VAL HG1 . 10142 1 1011 . 1 1 90 90 VAL CG2 C 13 17.811 0.300 . 2 . . . . 90 VAL CG2 . 10142 1 1012 . 1 1 90 90 VAL HG21 H 1 0.974 0.030 . 1 . . . . 90 VAL HG2 . 10142 1 1013 . 1 1 90 90 VAL HG22 H 1 0.974 0.030 . 1 . . . . 90 VAL HG2 . 10142 1 1014 . 1 1 90 90 VAL HG23 H 1 0.974 0.030 . 1 . . . . 90 VAL HG2 . 10142 1 1015 . 1 1 90 90 VAL C C 13 176.018 0.300 . 1 . . . . 90 VAL C . 10142 1 1016 . 1 1 91 91 THR N N 15 118.099 0.300 . 1 . . . . 91 THR N . 10142 1 1017 . 1 1 91 91 THR H H 1 8.491 0.030 . 1 . . . . 91 THR H . 10142 1 1018 . 1 1 91 91 THR CA C 13 65.519 0.300 . 1 . . . . 91 THR CA . 10142 1 1019 . 1 1 91 91 THR HA H 1 3.924 0.030 . 1 . . . . 91 THR HA . 10142 1 1020 . 1 1 91 91 THR CB C 13 68.972 0.300 . 1 . . . . 91 THR CB . 10142 1 1021 . 1 1 91 91 THR HB H 1 4.054 0.030 . 1 . . . . 91 THR HB . 10142 1 1022 . 1 1 91 91 THR CG2 C 13 21.638 0.300 . 1 . . . . 91 THR CG2 . 10142 1 1023 . 1 1 91 91 THR HG21 H 1 1.284 0.030 . 1 . . . . 91 THR HG2 . 10142 1 1024 . 1 1 91 91 THR HG22 H 1 1.284 0.030 . 1 . . . . 91 THR HG2 . 10142 1 1025 . 1 1 91 91 THR HG23 H 1 1.284 0.030 . 1 . . . . 91 THR HG2 . 10142 1 1026 . 1 1 91 91 THR C C 13 174.771 0.300 . 1 . . . . 91 THR C . 10142 1 1027 . 1 1 92 92 GLY N N 15 116.032 0.300 . 1 . . . . 92 GLY N . 10142 1 1028 . 1 1 92 92 GLY H H 1 8.563 0.030 . 1 . . . . 92 GLY H . 10142 1 1029 . 1 1 92 92 GLY CA C 13 44.842 0.300 . 1 . . . . 92 GLY CA . 10142 1 1030 . 1 1 92 92 GLY HA3 H 1 4.213 0.030 . 2 . . . . 92 GLY HA3 . 10142 1 1031 . 1 1 92 92 GLY C C 13 172.199 0.300 . 1 . . . . 92 GLY C . 10142 1 1032 . 1 1 92 92 GLY HA2 H 1 3.361 0.030 . 2 . . . . 92 GLY HA2 . 10142 1 1033 . 1 1 93 93 SER N N 15 113.106 0.300 . 1 . . . . 93 SER N . 10142 1 1034 . 1 1 93 93 SER H H 1 7.806 0.030 . 1 . . . . 93 SER H . 10142 1 1035 . 1 1 93 93 SER CA C 13 54.600 0.300 . 1 . . . . 93 SER CA . 10142 1 1036 . 1 1 93 93 SER HA H 1 4.159 0.030 . 1 . . . . 93 SER HA . 10142 1 1037 . 1 1 93 93 SER CB C 13 62.787 0.300 . 1 . . . . 93 SER CB . 10142 1 1038 . 1 1 93 93 SER HB3 H 1 4.526 0.030 . 2 . . . . 93 SER HB3 . 10142 1 1039 . 1 1 93 93 SER C C 13 174.123 0.300 . 1 . . . . 93 SER C . 10142 1 1040 . 1 1 93 93 SER HB2 H 1 3.735 0.030 . 2 . . . . 93 SER HB2 . 10142 1 1041 . 1 1 94 94 PRO CA C 13 62.619 0.300 . 1 . . . . 94 PRO CA . 10142 1 1042 . 1 1 94 94 PRO HA H 1 5.537 0.030 . 1 . . . . 94 PRO HA . 10142 1 1043 . 1 1 94 94 PRO CB C 13 34.521 0.300 . 1 . . . . 94 PRO CB . 10142 1 1044 . 1 1 94 94 PRO HB3 H 1 2.167 0.030 . 2 . . . . 94 PRO HB3 . 10142 1 1045 . 1 1 94 94 PRO CG C 13 24.460 0.300 . 1 . . . . 94 PRO CG . 10142 1 1046 . 1 1 94 94 PRO HG3 H 1 1.773 0.030 . 1 . . . . 94 PRO HG3 . 10142 1 1047 . 1 1 94 94 PRO CD C 13 49.859 0.300 . 1 . . . . 94 PRO CD . 10142 1 1048 . 1 1 94 94 PRO HD3 H 1 3.255 0.030 . 2 . . . . 94 PRO HD3 . 10142 1 1049 . 1 1 94 94 PRO C C 13 176.046 0.300 . 1 . . . . 94 PRO C . 10142 1 1050 . 1 1 94 94 PRO HB2 H 1 1.778 0.030 . 2 . . . . 94 PRO HB2 . 10142 1 1051 . 1 1 94 94 PRO HD2 H 1 2.321 0.030 . 2 . . . . 94 PRO HD2 . 10142 1 1052 . 1 1 94 94 PRO HG2 H 1 1.773 0.030 . 1 . . . . 94 PRO HG2 . 10142 1 1053 . 1 1 95 95 PHE N N 15 120.547 0.300 . 1 . . . . 95 PHE N . 10142 1 1054 . 1 1 95 95 PHE H H 1 9.127 0.030 . 1 . . . . 95 PHE H . 10142 1 1055 . 1 1 95 95 PHE CA C 13 56.700 0.300 . 1 . . . . 95 PHE CA . 10142 1 1056 . 1 1 95 95 PHE HA H 1 4.844 0.030 . 1 . . . . 95 PHE HA . 10142 1 1057 . 1 1 95 95 PHE CB C 13 41.285 0.300 . 1 . . . . 95 PHE CB . 10142 1 1058 . 1 1 95 95 PHE HB3 H 1 2.997 0.030 . 2 . . . . 95 PHE HB3 . 10142 1 1059 . 1 1 95 95 PHE CD1 C 13 132.719 0.300 . 1 . . . . 95 PHE CD1 . 10142 1 1060 . 1 1 95 95 PHE HD1 H 1 7.350 0.030 . 1 . . . . 95 PHE HD1 . 10142 1 1061 . 1 1 95 95 PHE CD2 C 13 132.719 0.300 . 1 . . . . 95 PHE CD2 . 10142 1 1062 . 1 1 95 95 PHE HD2 H 1 7.350 0.030 . 1 . . . . 95 PHE HD2 . 10142 1 1063 . 1 1 95 95 PHE CE1 C 13 130.543 0.300 . 1 . . . . 95 PHE CE1 . 10142 1 1064 . 1 1 95 95 PHE HE1 H 1 7.141 0.030 . 1 . . . . 95 PHE HE1 . 10142 1 1065 . 1 1 95 95 PHE CE2 C 13 130.543 0.300 . 1 . . . . 95 PHE CE2 . 10142 1 1066 . 1 1 95 95 PHE HE2 H 1 7.141 0.030 . 1 . . . . 95 PHE HE2 . 10142 1 1067 . 1 1 95 95 PHE CZ C 13 129.768 0.300 . 1 . . . . 95 PHE CZ . 10142 1 1068 . 1 1 95 95 PHE HZ H 1 7.200 0.030 . 1 . . . . 95 PHE HZ . 10142 1 1069 . 1 1 95 95 PHE C C 13 175.219 0.300 . 1 . . . . 95 PHE C . 10142 1 1070 . 1 1 95 95 PHE HB2 H 1 3.302 0.030 . 2 . . . . 95 PHE HB2 . 10142 1 1071 . 1 1 96 96 GLN N N 15 120.382 0.300 . 1 . . . . 96 GLN N . 10142 1 1072 . 1 1 96 96 GLN H H 1 8.896 0.030 . 1 . . . . 96 GLN H . 10142 1 1073 . 1 1 96 96 GLN CA C 13 55.028 0.300 . 1 . . . . 96 GLN CA . 10142 1 1074 . 1 1 96 96 GLN HA H 1 5.440 0.030 . 1 . . . . 96 GLN HA . 10142 1 1075 . 1 1 96 96 GLN CB C 13 31.867 0.300 . 1 . . . . 96 GLN CB . 10142 1 1076 . 1 1 96 96 GLN HB3 H 1 2.017 0.030 . 2 . . . . 96 GLN HB3 . 10142 1 1077 . 1 1 96 96 GLN CG C 13 34.585 0.300 . 1 . . . . 96 GLN CG . 10142 1 1078 . 1 1 96 96 GLN HG3 H 1 2.361 0.030 . 2 . . . . 96 GLN HG3 . 10142 1 1079 . 1 1 96 96 GLN NE2 N 15 112.057 0.300 . 1 . . . . 96 GLN NE2 . 10142 1 1080 . 1 1 96 96 GLN HE21 H 1 7.338 0.030 . 2 . . . . 96 GLN HE21 . 10142 1 1081 . 1 1 96 96 GLN HE22 H 1 6.777 0.030 . 2 . . . . 96 GLN HE22 . 10142 1 1082 . 1 1 96 96 GLN C C 13 175.480 0.300 . 1 . . . . 96 GLN C . 10142 1 1083 . 1 1 96 96 GLN HB2 H 1 1.942 0.030 . 2 . . . . 96 GLN HB2 . 10142 1 1084 . 1 1 96 96 GLN HG2 H 1 2.283 0.030 . 2 . . . . 96 GLN HG2 . 10142 1 1085 . 1 1 97 97 PHE N N 15 121.331 0.300 . 1 . . . . 97 PHE N . 10142 1 1086 . 1 1 97 97 PHE H H 1 8.822 0.030 . 1 . . . . 97 PHE H . 10142 1 1087 . 1 1 97 97 PHE CA C 13 56.931 0.300 . 1 . . . . 97 PHE CA . 10142 1 1088 . 1 1 97 97 PHE HA H 1 4.960 0.030 . 1 . . . . 97 PHE HA . 10142 1 1089 . 1 1 97 97 PHE CB C 13 42.133 0.300 . 1 . . . . 97 PHE CB . 10142 1 1090 . 1 1 97 97 PHE HB3 H 1 2.943 0.030 . 2 . . . . 97 PHE HB3 . 10142 1 1091 . 1 1 97 97 PHE CD1 C 13 131.896 0.300 . 1 . . . . 97 PHE CD1 . 10142 1 1092 . 1 1 97 97 PHE HD1 H 1 7.008 0.030 . 1 . . . . 97 PHE HD1 . 10142 1 1093 . 1 1 97 97 PHE CD2 C 13 131.896 0.300 . 1 . . . . 97 PHE CD2 . 10142 1 1094 . 1 1 97 97 PHE HD2 H 1 7.008 0.030 . 1 . . . . 97 PHE HD2 . 10142 1 1095 . 1 1 97 97 PHE CE1 C 13 130.959 0.300 . 1 . . . . 97 PHE CE1 . 10142 1 1096 . 1 1 97 97 PHE HE1 H 1 7.053 0.030 . 1 . . . . 97 PHE HE1 . 10142 1 1097 . 1 1 97 97 PHE CE2 C 13 130.959 0.300 . 1 . . . . 97 PHE CE2 . 10142 1 1098 . 1 1 97 97 PHE HE2 H 1 7.053 0.030 . 1 . . . . 97 PHE HE2 . 10142 1 1099 . 1 1 97 97 PHE CZ C 13 129.358 0.300 . 1 . . . . 97 PHE CZ . 10142 1 1100 . 1 1 97 97 PHE HZ H 1 7.082 0.030 . 1 . . . . 97 PHE HZ . 10142 1 1101 . 1 1 97 97 PHE C C 13 173.780 0.300 . 1 . . . . 97 PHE C . 10142 1 1102 . 1 1 97 97 PHE HB2 H 1 3.136 0.030 . 2 . . . . 97 PHE HB2 . 10142 1 1103 . 1 1 98 98 THR N N 15 121.160 0.300 . 1 . . . . 98 THR N . 10142 1 1104 . 1 1 98 98 THR H H 1 8.907 0.030 . 1 . . . . 98 THR H . 10142 1 1105 . 1 1 98 98 THR CA C 13 63.381 0.300 . 1 . . . . 98 THR CA . 10142 1 1106 . 1 1 98 98 THR HA H 1 4.487 0.030 . 1 . . . . 98 THR HA . 10142 1 1107 . 1 1 98 98 THR CB C 13 69.599 0.300 . 1 . . . . 98 THR CB . 10142 1 1108 . 1 1 98 98 THR HB H 1 3.998 0.030 . 1 . . . . 98 THR HB . 10142 1 1109 . 1 1 98 98 THR CG2 C 13 22.183 0.300 . 1 . . . . 98 THR CG2 . 10142 1 1110 . 1 1 98 98 THR HG21 H 1 1.081 0.030 . 1 . . . . 98 THR HG2 . 10142 1 1111 . 1 1 98 98 THR HG22 H 1 1.081 0.030 . 1 . . . . 98 THR HG2 . 10142 1 1112 . 1 1 98 98 THR HG23 H 1 1.081 0.030 . 1 . . . . 98 THR HG2 . 10142 1 1113 . 1 1 98 98 THR C C 13 173.058 0.300 . 1 . . . . 98 THR C . 10142 1 1114 . 1 1 99 99 VAL N N 15 128.111 0.300 . 1 . . . . 99 VAL N . 10142 1 1115 . 1 1 99 99 VAL H H 1 8.240 0.030 . 1 . . . . 99 VAL H . 10142 1 1116 . 1 1 99 99 VAL CA C 13 61.670 0.300 . 1 . . . . 99 VAL CA . 10142 1 1117 . 1 1 99 99 VAL HA H 1 4.271 0.030 . 1 . . . . 99 VAL HA . 10142 1 1118 . 1 1 99 99 VAL CB C 13 32.962 0.300 . 1 . . . . 99 VAL CB . 10142 1 1119 . 1 1 99 99 VAL HB H 1 2.418 0.030 . 1 . . . . 99 VAL HB . 10142 1 1120 . 1 1 99 99 VAL CG1 C 13 21.855 0.300 . 2 . . . . 99 VAL CG1 . 10142 1 1121 . 1 1 99 99 VAL HG11 H 1 0.907 0.030 . 1 . . . . 99 VAL HG1 . 10142 1 1122 . 1 1 99 99 VAL HG12 H 1 0.907 0.030 . 1 . . . . 99 VAL HG1 . 10142 1 1123 . 1 1 99 99 VAL HG13 H 1 0.907 0.030 . 1 . . . . 99 VAL HG1 . 10142 1 1124 . 1 1 99 99 VAL CG2 C 13 21.959 0.300 . 2 . . . . 99 VAL CG2 . 10142 1 1125 . 1 1 99 99 VAL HG21 H 1 0.639 0.030 . 1 . . . . 99 VAL HG2 . 10142 1 1126 . 1 1 99 99 VAL HG22 H 1 0.639 0.030 . 1 . . . . 99 VAL HG2 . 10142 1 1127 . 1 1 99 99 VAL HG23 H 1 0.639 0.030 . 1 . . . . 99 VAL HG2 . 10142 1 1128 . 1 1 99 99 VAL C C 13 176.689 0.300 . 1 . . . . 99 VAL C . 10142 1 1129 . 1 1 100 100 GLY N N 15 118.412 0.300 . 1 . . . . 100 GLY N . 10142 1 1130 . 1 1 100 100 GLY H H 1 8.946 0.030 . 1 . . . . 100 GLY H . 10142 1 1131 . 1 1 100 100 GLY CA C 13 44.504 0.300 . 1 . . . . 100 GLY CA . 10142 1 1132 . 1 1 100 100 GLY HA3 H 1 4.506 0.030 . 2 . . . . 100 GLY HA3 . 10142 1 1133 . 1 1 100 100 GLY C C 13 170.474 0.300 . 1 . . . . 100 GLY C . 10142 1 1134 . 1 1 100 100 GLY HA2 H 1 4.136 0.030 . 2 . . . . 100 GLY HA2 . 10142 1 1135 . 1 1 101 101 PRO CA C 13 62.588 0.300 . 1 . . . . 101 PRO CA . 10142 1 1136 . 1 1 101 101 PRO HA H 1 4.525 0.030 . 1 . . . . 101 PRO HA . 10142 1 1137 . 1 1 101 101 PRO CB C 13 32.641 0.300 . 1 . . . . 101 PRO CB . 10142 1 1138 . 1 1 101 101 PRO HB3 H 1 2.343 0.030 . 2 . . . . 101 PRO HB3 . 10142 1 1139 . 1 1 101 101 PRO CG C 13 26.835 0.300 . 1 . . . . 101 PRO CG . 10142 1 1140 . 1 1 101 101 PRO HG3 H 1 1.960 0.030 . 2 . . . . 101 PRO HG3 . 10142 1 1141 . 1 1 101 101 PRO CD C 13 49.701 0.300 . 1 . . . . 101 PRO CD . 10142 1 1142 . 1 1 101 101 PRO HD3 H 1 3.662 0.030 . 2 . . . . 101 PRO HD3 . 10142 1 1143 . 1 1 101 101 PRO C C 13 176.696 0.300 . 1 . . . . 101 PRO C . 10142 1 1144 . 1 1 101 101 PRO HB2 H 1 1.986 0.030 . 2 . . . . 101 PRO HB2 . 10142 1 1145 . 1 1 101 101 PRO HD2 H 1 3.625 0.030 . 2 . . . . 101 PRO HD2 . 10142 1 1146 . 1 1 101 101 PRO HG2 H 1 2.070 0.030 . 2 . . . . 101 PRO HG2 . 10142 1 1147 . 1 1 102 102 LEU N N 15 121.326 0.300 . 1 . . . . 102 LEU N . 10142 1 1148 . 1 1 102 102 LEU H H 1 8.374 0.030 . 1 . . . . 102 LEU H . 10142 1 1149 . 1 1 102 102 LEU CA C 13 55.855 0.300 . 1 . . . . 102 LEU CA . 10142 1 1150 . 1 1 102 102 LEU HA H 1 4.221 0.030 . 1 . . . . 102 LEU HA . 10142 1 1151 . 1 1 102 102 LEU CB C 13 42.652 0.300 . 1 . . . . 102 LEU CB . 10142 1 1152 . 1 1 102 102 LEU HB3 H 1 1.601 0.030 . 1 . . . . 102 LEU HB3 . 10142 1 1153 . 1 1 102 102 LEU CG C 13 27.034 0.300 . 1 . . . . 102 LEU CG . 10142 1 1154 . 1 1 102 102 LEU HG H 1 1.641 0.030 . 1 . . . . 102 LEU HG . 10142 1 1155 . 1 1 102 102 LEU CD1 C 13 24.448 0.300 . 2 . . . . 102 LEU CD1 . 10142 1 1156 . 1 1 102 102 LEU HD11 H 1 0.880 0.030 . 1 . . . . 102 LEU HD1 . 10142 1 1157 . 1 1 102 102 LEU HD12 H 1 0.880 0.030 . 1 . . . . 102 LEU HD1 . 10142 1 1158 . 1 1 102 102 LEU HD13 H 1 0.880 0.030 . 1 . . . . 102 LEU HD1 . 10142 1 1159 . 1 1 102 102 LEU CD2 C 13 24.674 0.300 . 2 . . . . 102 LEU CD2 . 10142 1 1160 . 1 1 102 102 LEU HD21 H 1 0.916 0.030 . 1 . . . . 102 LEU HD2 . 10142 1 1161 . 1 1 102 102 LEU HD22 H 1 0.916 0.030 . 1 . . . . 102 LEU HD2 . 10142 1 1162 . 1 1 102 102 LEU HD23 H 1 0.916 0.030 . 1 . . . . 102 LEU HD2 . 10142 1 1163 . 1 1 102 102 LEU C C 13 178.005 0.300 . 1 . . . . 102 LEU C . 10142 1 1164 . 1 1 102 102 LEU HB2 H 1 1.601 0.030 . 1 . . . . 102 LEU HB2 . 10142 1 1165 . 1 1 103 103 GLY N N 15 110.870 0.300 . 1 . . . . 103 GLY N . 10142 1 1166 . 1 1 103 103 GLY H H 1 8.481 0.030 . 1 . . . . 103 GLY H . 10142 1 1167 . 1 1 103 103 GLY CA C 13 45.208 0.300 . 1 . . . . 103 GLY CA . 10142 1 1168 . 1 1 103 103 GLY HA3 H 1 3.927 0.030 . 2 . . . . 103 GLY HA3 . 10142 1 1169 . 1 1 103 103 GLY C C 13 174.126 0.300 . 1 . . . . 103 GLY C . 10142 1 1170 . 1 1 103 103 GLY HA2 H 1 3.991 0.030 . 2 . . . . 103 GLY HA2 . 10142 1 1171 . 1 1 104 104 GLU N N 15 120.771 0.300 . 1 . . . . 104 GLU N . 10142 1 1172 . 1 1 104 104 GLU H H 1 8.308 0.030 . 1 . . . . 104 GLU H . 10142 1 1173 . 1 1 104 104 GLU CA C 13 56.713 0.300 . 1 . . . . 104 GLU CA . 10142 1 1174 . 1 1 104 104 GLU HA H 1 4.318 0.030 . 1 . . . . 104 GLU HA . 10142 1 1175 . 1 1 104 104 GLU CB C 13 30.470 0.300 . 1 . . . . 104 GLU CB . 10142 1 1176 . 1 1 104 104 GLU HB3 H 1 2.093 0.030 . 2 . . . . 104 GLU HB3 . 10142 1 1177 . 1 1 104 104 GLU CG C 13 36.283 0.300 . 1 . . . . 104 GLU CG . 10142 1 1178 . 1 1 104 104 GLU HG3 H 1 2.235 0.030 . 1 . . . . 104 GLU HG3 . 10142 1 1179 . 1 1 104 104 GLU C C 13 177.052 0.300 . 1 . . . . 104 GLU C . 10142 1 1180 . 1 1 104 104 GLU HB2 H 1 1.937 0.030 . 2 . . . . 104 GLU HB2 . 10142 1 1181 . 1 1 104 104 GLU HG2 H 1 2.235 0.030 . 1 . . . . 104 GLU HG2 . 10142 1 1182 . 1 1 105 105 GLY N N 15 110.589 0.300 . 1 . . . . 105 GLY N . 10142 1 1183 . 1 1 105 105 GLY H H 1 8.546 0.030 . 1 . . . . 105 GLY H . 10142 1 1184 . 1 1 105 105 GLY CA C 13 45.256 0.300 . 1 . . . . 105 GLY CA . 10142 1 1185 . 1 1 105 105 GLY HA3 H 1 3.925 0.030 . 2 . . . . 105 GLY HA3 . 10142 1 1186 . 1 1 105 105 GLY C C 13 173.795 0.300 . 1 . . . . 105 GLY C . 10142 1 1187 . 1 1 105 105 GLY HA2 H 1 3.992 0.030 . 2 . . . . 105 GLY HA2 . 10142 1 1188 . 1 1 106 106 GLY N N 15 115.198 0.300 . 1 . . . . 106 GLY N . 10142 1 1189 . 1 1 106 106 GLY H H 1 7.966 0.030 . 1 . . . . 106 GLY H . 10142 1 1190 . 1 1 106 106 GLY CA C 13 46.047 0.300 . 1 . . . . 106 GLY CA . 10142 1 1191 . 1 1 106 106 GLY HA3 H 1 3.766 0.030 . 1 . . . . 106 GLY HA3 . 10142 1 1192 . 1 1 106 106 GLY C C 13 179.119 0.300 . 1 . . . . 106 GLY C . 10142 1 1193 . 1 1 106 106 GLY HA2 H 1 3.766 0.030 . 1 . . . . 106 GLY HA2 . 10142 1 stop_ save_