data_10070 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10070 _Entry.Title ; Solution structure of RRM domain in heterogeneous nuclear ribonucleoprotein H' ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-25 _Entry.Accession_date 2006-12-26 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 F. He . . . 10070 2 Y. Muto . . . 10070 3 M. Inoue . . . 10070 4 T. Kigawa . . . 10070 5 M. Shirouzu . . . 10070 6 T. Terada . . . 10070 7 S. Yokoyama . . . 10070 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10070 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10070 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 394 10070 '15N chemical shifts' 92 10070 '1H chemical shifts' 599 10070 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-14 2006-12-25 original author . 10070 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WEZ 'BMRB Entry Tracking System' 10070 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10070 _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 RRM domain in heterogeneous nuclear ribonucleoprotein H'' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. He . . . 10070 1 2 Y. Muto . . . 10070 1 3 M. Inoue . . . 10070 1 4 T. Kigawa . . . 10070 1 5 M. Shirouzu . . . 10070 1 6 T. Terada . . . 10070 1 7 S. Yokoyama . . . 10070 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10070 _Assembly.ID 1 _Assembly.Name 'Heterogeneous nuclear ribonucleoprotein H'' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10070 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Heterogeneous nuclear ribonucleoprotein H'' 1 $entity_1 . . yes native no no . . . 10070 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 1WEZ . . . . . . 10070 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10070 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'RRM 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 ; GSSGSSGSSFQSTTGHCVHM RGLPYRATENDIYNFFSPLN PMRVHIEIGPDGRVTGEADV EFATHEDAVAAMAKDKANMQ HRYVELFLNSTAGTSGSGPS SG ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2014-05-12 loop_ _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 no PDB 1WEZ . "Solution Structure Of Rrm Domain In Heterogeneous Nuclear Ribonucleoprotein H'" . . . . . 100.00 102 100.00 100.00 2.22e-68 . . . . 10070 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RRM domain' . 10070 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 . 10070 1 2 . SER . 10070 1 3 . SER . 10070 1 4 . GLY . 10070 1 5 . SER . 10070 1 6 . SER . 10070 1 7 . GLY . 10070 1 8 . SER . 10070 1 9 . SER . 10070 1 10 . PHE . 10070 1 11 . GLN . 10070 1 12 . SER . 10070 1 13 . THR . 10070 1 14 . THR . 10070 1 15 . GLY . 10070 1 16 . HIS . 10070 1 17 . CYS . 10070 1 18 . VAL . 10070 1 19 . HIS . 10070 1 20 . MET . 10070 1 21 . ARG . 10070 1 22 . GLY . 10070 1 23 . LEU . 10070 1 24 . PRO . 10070 1 25 . TYR . 10070 1 26 . ARG . 10070 1 27 . ALA . 10070 1 28 . THR . 10070 1 29 . GLU . 10070 1 30 . ASN . 10070 1 31 . ASP . 10070 1 32 . ILE . 10070 1 33 . TYR . 10070 1 34 . ASN . 10070 1 35 . PHE . 10070 1 36 . PHE . 10070 1 37 . SER . 10070 1 38 . PRO . 10070 1 39 . LEU . 10070 1 40 . ASN . 10070 1 41 . PRO . 10070 1 42 . MET . 10070 1 43 . ARG . 10070 1 44 . VAL . 10070 1 45 . HIS . 10070 1 46 . ILE . 10070 1 47 . GLU . 10070 1 48 . ILE . 10070 1 49 . GLY . 10070 1 50 . PRO . 10070 1 51 . ASP . 10070 1 52 . GLY . 10070 1 53 . ARG . 10070 1 54 . VAL . 10070 1 55 . THR . 10070 1 56 . GLY . 10070 1 57 . GLU . 10070 1 58 . ALA . 10070 1 59 . ASP . 10070 1 60 . VAL . 10070 1 61 . GLU . 10070 1 62 . PHE . 10070 1 63 . ALA . 10070 1 64 . THR . 10070 1 65 . HIS . 10070 1 66 . GLU . 10070 1 67 . ASP . 10070 1 68 . ALA . 10070 1 69 . VAL . 10070 1 70 . ALA . 10070 1 71 . ALA . 10070 1 72 . MET . 10070 1 73 . ALA . 10070 1 74 . LYS . 10070 1 75 . ASP . 10070 1 76 . LYS . 10070 1 77 . ALA . 10070 1 78 . ASN . 10070 1 79 . MET . 10070 1 80 . GLN . 10070 1 81 . HIS . 10070 1 82 . ARG . 10070 1 83 . TYR . 10070 1 84 . VAL . 10070 1 85 . GLU . 10070 1 86 . LEU . 10070 1 87 . PHE . 10070 1 88 . LEU . 10070 1 89 . ASN . 10070 1 90 . SER . 10070 1 91 . THR . 10070 1 92 . ALA . 10070 1 93 . GLY . 10070 1 94 . THR . 10070 1 95 . SER . 10070 1 96 . GLY . 10070 1 97 . SER . 10070 1 98 . GLY . 10070 1 99 . PRO . 10070 1 100 . SER . 10070 1 101 . SER . 10070 1 102 . GLY . 10070 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 10070 1 . SER 2 2 10070 1 . SER 3 3 10070 1 . GLY 4 4 10070 1 . SER 5 5 10070 1 . SER 6 6 10070 1 . GLY 7 7 10070 1 . SER 8 8 10070 1 . SER 9 9 10070 1 . PHE 10 10 10070 1 . GLN 11 11 10070 1 . SER 12 12 10070 1 . THR 13 13 10070 1 . THR 14 14 10070 1 . GLY 15 15 10070 1 . HIS 16 16 10070 1 . CYS 17 17 10070 1 . VAL 18 18 10070 1 . HIS 19 19 10070 1 . MET 20 20 10070 1 . ARG 21 21 10070 1 . GLY 22 22 10070 1 . LEU 23 23 10070 1 . PRO 24 24 10070 1 . TYR 25 25 10070 1 . ARG 26 26 10070 1 . ALA 27 27 10070 1 . THR 28 28 10070 1 . GLU 29 29 10070 1 . ASN 30 30 10070 1 . ASP 31 31 10070 1 . ILE 32 32 10070 1 . TYR 33 33 10070 1 . ASN 34 34 10070 1 . PHE 35 35 10070 1 . PHE 36 36 10070 1 . SER 37 37 10070 1 . PRO 38 38 10070 1 . LEU 39 39 10070 1 . ASN 40 40 10070 1 . PRO 41 41 10070 1 . MET 42 42 10070 1 . ARG 43 43 10070 1 . VAL 44 44 10070 1 . HIS 45 45 10070 1 . ILE 46 46 10070 1 . GLU 47 47 10070 1 . ILE 48 48 10070 1 . GLY 49 49 10070 1 . PRO 50 50 10070 1 . ASP 51 51 10070 1 . GLY 52 52 10070 1 . ARG 53 53 10070 1 . VAL 54 54 10070 1 . THR 55 55 10070 1 . GLY 56 56 10070 1 . GLU 57 57 10070 1 . ALA 58 58 10070 1 . ASP 59 59 10070 1 . VAL 60 60 10070 1 . GLU 61 61 10070 1 . PHE 62 62 10070 1 . ALA 63 63 10070 1 . THR 64 64 10070 1 . HIS 65 65 10070 1 . GLU 66 66 10070 1 . ASP 67 67 10070 1 . ALA 68 68 10070 1 . VAL 69 69 10070 1 . ALA 70 70 10070 1 . ALA 71 71 10070 1 . MET 72 72 10070 1 . ALA 73 73 10070 1 . LYS 74 74 10070 1 . ASP 75 75 10070 1 . LYS 76 76 10070 1 . ALA 77 77 10070 1 . ASN 78 78 10070 1 . MET 79 79 10070 1 . GLN 80 80 10070 1 . HIS 81 81 10070 1 . ARG 82 82 10070 1 . TYR 83 83 10070 1 . VAL 84 84 10070 1 . GLU 85 85 10070 1 . LEU 86 86 10070 1 . PHE 87 87 10070 1 . LEU 88 88 10070 1 . ASN 89 89 10070 1 . SER 90 90 10070 1 . THR 91 91 10070 1 . ALA 92 92 10070 1 . GLY 93 93 10070 1 . THR 94 94 10070 1 . SER 95 95 10070 1 . GLY 96 96 10070 1 . SER 97 97 10070 1 . GLY 98 98 10070 1 . PRO 99 99 10070 1 . SER 100 100 10070 1 . SER 101 101 10070 1 . GLY 102 102 10070 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 10070 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10070 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 10070 _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 . . P040223-29 . . . . . . 10070 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10070 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RRM domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 10070 1 2 'd-Tris-HCl(pH 7.0)' . . . . . . buffer 20 . . mM . . . . 10070 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10070 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10070 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10070 1 6 H2O . . . . . . solvent 90 . . % . . . . 10070 1 7 D2O . . . . . . solvent 10 . . % . . . . 10070 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 10070 _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 10070 1 pH 7.0 0.05 pH 10070 1 pressure 1 0.001 atm 10070 1 temperature 298 0.1 K 10070 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10070 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10070 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10070 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10070 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10070 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10070 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10070 _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.' . . 10070 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10070 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10070 _Software.ID 4 _Software.Name Kujira _Software.Version 0.863 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10070 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10070 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10070 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10070 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10070 5 'structure solution' 10070 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 10070 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10070 _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 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10070 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10070 1 stop_ save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10070 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10070 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 10070 _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 . . . . . . . . . 10070 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10070 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10070 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 10070 _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 15N-separated NOESY' 1 $sample_1 isotropic 10070 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10070 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.553 0.030 . 1 . . . . 6 SER HA . 10070 1 2 . 1 1 6 6 SER HB2 H 1 3.908 0.030 . 1 . . . . 6 SER HB2 . 10070 1 3 . 1 1 6 6 SER HB3 H 1 3.908 0.030 . 1 . . . . 6 SER HB3 . 10070 1 4 . 1 1 6 6 SER C C 13 174.611 0.300 . 1 . . . . 6 SER C . 10070 1 5 . 1 1 6 6 SER CA C 13 58.411 0.300 . 1 . . . . 6 SER CA . 10070 1 6 . 1 1 6 6 SER CB C 13 64.241 0.300 . 1 . . . . 6 SER CB . 10070 1 7 . 1 1 7 7 GLY H H 1 8.317 0.030 . 1 . . . . 7 GLY H . 10070 1 8 . 1 1 7 7 GLY HA2 H 1 4.091 0.030 . 1 . . . . 7 GLY HA2 . 10070 1 9 . 1 1 7 7 GLY HA3 H 1 4.091 0.030 . 1 . . . . 7 GLY HA3 . 10070 1 10 . 1 1 7 7 GLY C C 13 171.836 0.300 . 1 . . . . 7 GLY C . 10070 1 11 . 1 1 7 7 GLY CA C 13 44.661 0.300 . 1 . . . . 7 GLY CA . 10070 1 12 . 1 1 7 7 GLY N N 15 110.838 0.300 . 1 . . . . 7 GLY N . 10070 1 13 . 1 1 9 9 SER HA H 1 4.459 0.030 . 1 . . . . 9 SER HA . 10070 1 14 . 1 1 9 9 SER HB2 H 1 3.861 0.030 . 1 . . . . 9 SER HB2 . 10070 1 15 . 1 1 9 9 SER HB3 H 1 3.861 0.030 . 1 . . . . 9 SER HB3 . 10070 1 16 . 1 1 9 9 SER C C 13 173.837 0.300 . 1 . . . . 9 SER C . 10070 1 17 . 1 1 9 9 SER CA C 13 58.324 0.300 . 1 . . . . 9 SER CA . 10070 1 18 . 1 1 9 9 SER CB C 13 63.980 0.300 . 1 . . . . 9 SER CB . 10070 1 19 . 1 1 10 10 PHE H H 1 8.274 0.030 . 1 . . . . 10 PHE H . 10070 1 20 . 1 1 10 10 PHE HA H 1 4.278 0.030 . 1 . . . . 10 PHE HA . 10070 1 21 . 1 1 10 10 PHE HB2 H 1 2.757 0.030 . 2 . . . . 10 PHE HB2 . 10070 1 22 . 1 1 10 10 PHE HB3 H 1 2.671 0.030 . 2 . . . . 10 PHE HB3 . 10070 1 23 . 1 1 10 10 PHE HD1 H 1 7.000 0.030 . 1 . . . . 10 PHE HD1 . 10070 1 24 . 1 1 10 10 PHE HD2 H 1 7.000 0.030 . 1 . . . . 10 PHE HD2 . 10070 1 25 . 1 1 10 10 PHE HE1 H 1 7.148 0.030 . 1 . . . . 10 PHE HE1 . 10070 1 26 . 1 1 10 10 PHE HE2 H 1 7.148 0.030 . 1 . . . . 10 PHE HE2 . 10070 1 27 . 1 1 10 10 PHE HZ H 1 7.043 0.030 . 1 . . . . 10 PHE HZ . 10070 1 28 . 1 1 10 10 PHE C C 13 174.684 0.300 . 1 . . . . 10 PHE C . 10070 1 29 . 1 1 10 10 PHE CA C 13 58.185 0.300 . 1 . . . . 10 PHE CA . 10070 1 30 . 1 1 10 10 PHE CB C 13 39.765 0.300 . 1 . . . . 10 PHE CB . 10070 1 31 . 1 1 10 10 PHE CD1 C 13 131.873 0.300 . 1 . . . . 10 PHE CD1 . 10070 1 32 . 1 1 10 10 PHE CD2 C 13 131.873 0.300 . 1 . . . . 10 PHE CD2 . 10070 1 33 . 1 1 10 10 PHE CE1 C 13 130.941 0.300 . 1 . . . . 10 PHE CE1 . 10070 1 34 . 1 1 10 10 PHE CE2 C 13 130.941 0.300 . 1 . . . . 10 PHE CE2 . 10070 1 35 . 1 1 10 10 PHE CZ C 13 129.095 0.300 . 1 . . . . 10 PHE CZ . 10070 1 36 . 1 1 10 10 PHE N N 15 122.980 0.300 . 1 . . . . 10 PHE N . 10070 1 37 . 1 1 11 11 GLN H H 1 7.894 0.030 . 1 . . . . 11 GLN H . 10070 1 38 . 1 1 11 11 GLN HA H 1 4.169 0.030 . 1 . . . . 11 GLN HA . 10070 1 39 . 1 1 11 11 GLN HB2 H 1 1.839 0.030 . 2 . . . . 11 GLN HB2 . 10070 1 40 . 1 1 11 11 GLN HB3 H 1 1.747 0.030 . 2 . . . . 11 GLN HB3 . 10070 1 41 . 1 1 11 11 GLN HG2 H 1 2.154 0.030 . 1 . . . . 11 GLN HG2 . 10070 1 42 . 1 1 11 11 GLN HG3 H 1 2.154 0.030 . 1 . . . . 11 GLN HG3 . 10070 1 43 . 1 1 11 11 GLN HE21 H 1 7.393 0.030 . 2 . . . . 11 GLN HE21 . 10070 1 44 . 1 1 11 11 GLN HE22 H 1 6.756 0.030 . 2 . . . . 11 GLN HE22 . 10070 1 45 . 1 1 11 11 GLN C C 13 174.498 0.300 . 1 . . . . 11 GLN C . 10070 1 46 . 1 1 11 11 GLN CA C 13 54.584 0.300 . 1 . . . . 11 GLN CA . 10070 1 47 . 1 1 11 11 GLN CB C 13 29.896 0.300 . 1 . . . . 11 GLN CB . 10070 1 48 . 1 1 11 11 GLN CG C 13 33.514 0.300 . 1 . . . . 11 GLN CG . 10070 1 49 . 1 1 11 11 GLN N N 15 125.584 0.300 . 1 . . . . 11 GLN N . 10070 1 50 . 1 1 11 11 GLN NE2 N 15 112.527 0.300 . 1 . . . . 11 GLN NE2 . 10070 1 51 . 1 1 12 12 SER H H 1 8.356 0.030 . 1 . . . . 12 SER H . 10070 1 52 . 1 1 12 12 SER HA H 1 4.211 0.030 . 1 . . . . 12 SER HA . 10070 1 53 . 1 1 12 12 SER HB2 H 1 3.889 0.030 . 2 . . . . 12 SER HB2 . 10070 1 54 . 1 1 12 12 SER HB3 H 1 3.669 0.030 . 2 . . . . 12 SER HB3 . 10070 1 55 . 1 1 12 12 SER C C 13 175.466 0.300 . 1 . . . . 12 SER C . 10070 1 56 . 1 1 12 12 SER CA C 13 57.421 0.300 . 1 . . . . 12 SER CA . 10070 1 57 . 1 1 12 12 SER CB C 13 64.450 0.300 . 1 . . . . 12 SER CB . 10070 1 58 . 1 1 12 12 SER N N 15 118.286 0.300 . 1 . . . . 12 SER N . 10070 1 59 . 1 1 13 13 THR H H 1 9.106 0.030 . 1 . . . . 13 THR H . 10070 1 60 . 1 1 13 13 THR HA H 1 4.443 0.030 . 1 . . . . 13 THR HA . 10070 1 61 . 1 1 13 13 THR HB H 1 4.234 0.030 . 1 . . . . 13 THR HB . 10070 1 62 . 1 1 13 13 THR HG21 H 1 1.166 0.030 . 1 . . . . 13 THR HG2 . 10070 1 63 . 1 1 13 13 THR HG22 H 1 1.166 0.030 . 1 . . . . 13 THR HG2 . 10070 1 64 . 1 1 13 13 THR HG23 H 1 1.166 0.030 . 1 . . . . 13 THR HG2 . 10070 1 65 . 1 1 13 13 THR C C 13 175.716 0.300 . 1 . . . . 13 THR C . 10070 1 66 . 1 1 13 13 THR CA C 13 62.550 0.300 . 1 . . . . 13 THR CA . 10070 1 67 . 1 1 13 13 THR CB C 13 69.607 0.300 . 1 . . . . 13 THR CB . 10070 1 68 . 1 1 13 13 THR CG2 C 13 21.521 0.300 . 1 . . . . 13 THR CG2 . 10070 1 69 . 1 1 13 13 THR N N 15 118.519 0.300 . 1 . . . . 13 THR N . 10070 1 70 . 1 1 14 14 THR H H 1 8.052 0.030 . 1 . . . . 14 THR H . 10070 1 71 . 1 1 14 14 THR HA H 1 4.358 0.030 . 1 . . . . 14 THR HA . 10070 1 72 . 1 1 14 14 THR HB H 1 4.413 0.030 . 1 . . . . 14 THR HB . 10070 1 73 . 1 1 14 14 THR HG21 H 1 1.271 0.030 . 1 . . . . 14 THR HG2 . 10070 1 74 . 1 1 14 14 THR HG22 H 1 1.271 0.030 . 1 . . . . 14 THR HG2 . 10070 1 75 . 1 1 14 14 THR HG23 H 1 1.271 0.030 . 1 . . . . 14 THR HG2 . 10070 1 76 . 1 1 14 14 THR C C 13 175.450 0.300 . 1 . . . . 14 THR C . 10070 1 77 . 1 1 14 14 THR CA C 13 61.825 0.300 . 1 . . . . 14 THR CA . 10070 1 78 . 1 1 14 14 THR CB C 13 70.433 0.300 . 1 . . . . 14 THR CB . 10070 1 79 . 1 1 14 14 THR CG2 C 13 22.116 0.300 . 1 . . . . 14 THR CG2 . 10070 1 80 . 1 1 14 14 THR N N 15 113.052 0.300 . 1 . . . . 14 THR N . 10070 1 81 . 1 1 15 15 GLY H H 1 8.264 0.030 . 1 . . . . 15 GLY H . 10070 1 82 . 1 1 15 15 GLY HA2 H 1 3.853 0.030 . 2 . . . . 15 GLY HA2 . 10070 1 83 . 1 1 15 15 GLY HA3 H 1 3.704 0.030 . 2 . . . . 15 GLY HA3 . 10070 1 84 . 1 1 15 15 GLY C C 13 173.772 0.300 . 1 . . . . 15 GLY C . 10070 1 85 . 1 1 15 15 GLY CA C 13 45.125 0.300 . 1 . . . . 15 GLY CA . 10070 1 86 . 1 1 15 15 GLY N N 15 108.208 0.300 . 1 . . . . 15 GLY N . 10070 1 87 . 1 1 16 16 HIS H H 1 8.317 0.030 . 1 . . . . 16 HIS H . 10070 1 88 . 1 1 16 16 HIS HA H 1 5.299 0.030 . 1 . . . . 16 HIS HA . 10070 1 89 . 1 1 16 16 HIS HB2 H 1 3.437 0.030 . 2 . . . . 16 HIS HB2 . 10070 1 90 . 1 1 16 16 HIS HB3 H 1 2.712 0.030 . 2 . . . . 16 HIS HB3 . 10070 1 91 . 1 1 16 16 HIS HD2 H 1 6.849 0.030 . 1 . . . . 16 HIS HD2 . 10070 1 92 . 1 1 16 16 HIS C C 13 173.345 0.300 . 1 . . . . 16 HIS C . 10070 1 93 . 1 1 16 16 HIS CA C 13 53.595 0.300 . 1 . . . . 16 HIS CA . 10070 1 94 . 1 1 16 16 HIS CB C 13 28.015 0.300 . 1 . . . . 16 HIS CB . 10070 1 95 . 1 1 16 16 HIS CD2 C 13 123.427 0.300 . 1 . . . . 16 HIS CD2 . 10070 1 96 . 1 1 16 16 HIS N N 15 120.619 0.300 . 1 . . . . 16 HIS N . 10070 1 97 . 1 1 17 17 CYS H H 1 7.995 0.030 . 1 . . . . 17 CYS H . 10070 1 98 . 1 1 17 17 CYS HA H 1 5.881 0.030 . 1 . . . . 17 CYS HA . 10070 1 99 . 1 1 17 17 CYS HB2 H 1 3.097 0.030 . 1 . . . . 17 CYS HB2 . 10070 1 100 . 1 1 17 17 CYS HB3 H 1 3.097 0.030 . 1 . . . . 17 CYS HB3 . 10070 1 101 . 1 1 17 17 CYS C C 13 173.320 0.300 . 1 . . . . 17 CYS C . 10070 1 102 . 1 1 17 17 CYS CA C 13 57.325 0.300 . 1 . . . . 17 CYS CA . 10070 1 103 . 1 1 17 17 CYS CB C 13 32.034 0.300 . 1 . . . . 17 CYS CB . 10070 1 104 . 1 1 17 17 CYS N N 15 121.430 0.300 . 1 . . . . 17 CYS N . 10070 1 105 . 1 1 18 18 VAL H H 1 9.241 0.030 . 1 . . . . 18 VAL H . 10070 1 106 . 1 1 18 18 VAL HA H 1 4.872 0.030 . 1 . . . . 18 VAL HA . 10070 1 107 . 1 1 18 18 VAL HB H 1 1.920 0.030 . 1 . . . . 18 VAL HB . 10070 1 108 . 1 1 18 18 VAL HG11 H 1 1.062 0.030 . 1 . . . . 18 VAL HG1 . 10070 1 109 . 1 1 18 18 VAL HG12 H 1 1.062 0.030 . 1 . . . . 18 VAL HG1 . 10070 1 110 . 1 1 18 18 VAL HG13 H 1 1.062 0.030 . 1 . . . . 18 VAL HG1 . 10070 1 111 . 1 1 18 18 VAL HG21 H 1 0.970 0.030 . 1 . . . . 18 VAL HG2 . 10070 1 112 . 1 1 18 18 VAL HG22 H 1 0.970 0.030 . 1 . . . . 18 VAL HG2 . 10070 1 113 . 1 1 18 18 VAL HG23 H 1 0.970 0.030 . 1 . . . . 18 VAL HG2 . 10070 1 114 . 1 1 18 18 VAL C C 13 174.434 0.300 . 1 . . . . 18 VAL C . 10070 1 115 . 1 1 18 18 VAL CA C 13 61.197 0.300 . 1 . . . . 18 VAL CA . 10070 1 116 . 1 1 18 18 VAL CB C 13 36.435 0.300 . 1 . . . . 18 VAL CB . 10070 1 117 . 1 1 18 18 VAL CG1 C 13 23.011 0.300 . 2 . . . . 18 VAL CG1 . 10070 1 118 . 1 1 18 18 VAL CG2 C 13 22.700 0.300 . 2 . . . . 18 VAL CG2 . 10070 1 119 . 1 1 18 18 VAL N N 15 121.123 0.300 . 1 . . . . 18 VAL N . 10070 1 120 . 1 1 19 19 HIS H H 1 9.680 0.030 . 1 . . . . 19 HIS H . 10070 1 121 . 1 1 19 19 HIS HA H 1 5.530 0.030 . 1 . . . . 19 HIS HA . 10070 1 122 . 1 1 19 19 HIS HB2 H 1 3.275 0.030 . 2 . . . . 19 HIS HB2 . 10070 1 123 . 1 1 19 19 HIS HB3 H 1 3.252 0.030 . 2 . . . . 19 HIS HB3 . 10070 1 124 . 1 1 19 19 HIS HD2 H 1 6.725 0.030 . 1 . . . . 19 HIS HD2 . 10070 1 125 . 1 1 19 19 HIS C C 13 173.506 0.300 . 1 . . . . 19 HIS C . 10070 1 126 . 1 1 19 19 HIS CA C 13 54.362 0.300 . 1 . . . . 19 HIS CA . 10070 1 127 . 1 1 19 19 HIS CB C 13 31.060 0.300 . 1 . . . . 19 HIS CB . 10070 1 128 . 1 1 19 19 HIS CD2 C 13 119.320 0.300 . 1 . . . . 19 HIS CD2 . 10070 1 129 . 1 1 19 19 HIS N N 15 125.998 0.300 . 1 . . . . 19 HIS N . 10070 1 130 . 1 1 20 20 MET H H 1 8.905 0.030 . 1 . . . . 20 MET H . 10070 1 131 . 1 1 20 20 MET HA H 1 5.525 0.030 . 1 . . . . 20 MET HA . 10070 1 132 . 1 1 20 20 MET HB2 H 1 1.822 0.030 . 2 . . . . 20 MET HB2 . 10070 1 133 . 1 1 20 20 MET HB3 H 1 1.560 0.030 . 2 . . . . 20 MET HB3 . 10070 1 134 . 1 1 20 20 MET HG2 H 1 2.321 0.030 . 2 . . . . 20 MET HG2 . 10070 1 135 . 1 1 20 20 MET HG3 H 1 2.231 0.030 . 2 . . . . 20 MET HG3 . 10070 1 136 . 1 1 20 20 MET HE1 H 1 1.466 0.030 . 1 . . . . 20 MET HE . 10070 1 137 . 1 1 20 20 MET HE2 H 1 1.466 0.030 . 1 . . . . 20 MET HE . 10070 1 138 . 1 1 20 20 MET HE3 H 1 1.466 0.030 . 1 . . . . 20 MET HE . 10070 1 139 . 1 1 20 20 MET C C 13 174.708 0.300 . 1 . . . . 20 MET C . 10070 1 140 . 1 1 20 20 MET CA C 13 53.846 0.300 . 1 . . . . 20 MET CA . 10070 1 141 . 1 1 20 20 MET CB C 13 37.511 0.300 . 1 . . . . 20 MET CB . 10070 1 142 . 1 1 20 20 MET CG C 13 31.197 0.300 . 1 . . . . 20 MET CG . 10070 1 143 . 1 1 20 20 MET CE C 13 17.831 0.300 . 1 . . . . 20 MET CE . 10070 1 144 . 1 1 20 20 MET N N 15 123.889 0.300 . 1 . . . . 20 MET N . 10070 1 145 . 1 1 21 21 ARG H H 1 9.311 0.030 . 1 . . . . 21 ARG H . 10070 1 146 . 1 1 21 21 ARG HA H 1 4.921 0.030 . 1 . . . . 21 ARG HA . 10070 1 147 . 1 1 21 21 ARG HB2 H 1 1.991 0.030 . 2 . . . . 21 ARG HB2 . 10070 1 148 . 1 1 21 21 ARG HB3 H 1 1.884 0.030 . 2 . . . . 21 ARG HB3 . 10070 1 149 . 1 1 21 21 ARG HG2 H 1 1.753 0.030 . 1 . . . . 21 ARG HG2 . 10070 1 150 . 1 1 21 21 ARG HG3 H 1 1.753 0.030 . 1 . . . . 21 ARG HG3 . 10070 1 151 . 1 1 21 21 ARG HD2 H 1 3.257 0.030 . 1 . . . . 21 ARG HD2 . 10070 1 152 . 1 1 21 21 ARG HD3 H 1 3.257 0.030 . 1 . . . . 21 ARG HD3 . 10070 1 153 . 1 1 21 21 ARG C C 13 174.248 0.300 . 1 . . . . 21 ARG C . 10070 1 154 . 1 1 21 21 ARG CA C 13 55.517 0.300 . 1 . . . . 21 ARG CA . 10070 1 155 . 1 1 21 21 ARG CB C 13 34.716 0.300 . 1 . . . . 21 ARG CB . 10070 1 156 . 1 1 21 21 ARG CG C 13 27.577 0.300 . 1 . . . . 21 ARG CG . 10070 1 157 . 1 1 21 21 ARG CD C 13 44.071 0.300 . 1 . . . . 21 ARG CD . 10070 1 158 . 1 1 21 21 ARG N N 15 119.540 0.300 . 1 . . . . 21 ARG N . 10070 1 159 . 1 1 22 22 GLY H H 1 8.035 0.030 . 1 . . . . 22 GLY H . 10070 1 160 . 1 1 22 22 GLY HA2 H 1 4.473 0.030 . 2 . . . . 22 GLY HA2 . 10070 1 161 . 1 1 22 22 GLY HA3 H 1 3.688 0.030 . 2 . . . . 22 GLY HA3 . 10070 1 162 . 1 1 22 22 GLY C C 13 174.595 0.300 . 1 . . . . 22 GLY C . 10070 1 163 . 1 1 22 22 GLY CA C 13 45.329 0.300 . 1 . . . . 22 GLY CA . 10070 1 164 . 1 1 22 22 GLY N N 15 111.005 0.300 . 1 . . . . 22 GLY N . 10070 1 165 . 1 1 23 23 LEU H H 1 8.370 0.030 . 1 . . . . 23 LEU H . 10070 1 166 . 1 1 23 23 LEU HA H 1 3.900 0.030 . 1 . . . . 23 LEU HA . 10070 1 167 . 1 1 23 23 LEU HB2 H 1 1.371 0.030 . 2 . . . . 23 LEU HB2 . 10070 1 168 . 1 1 23 23 LEU HB3 H 1 1.117 0.030 . 2 . . . . 23 LEU HB3 . 10070 1 169 . 1 1 23 23 LEU HG H 1 1.342 0.030 . 1 . . . . 23 LEU HG . 10070 1 170 . 1 1 23 23 LEU HD11 H 1 0.521 0.030 . 1 . . . . 23 LEU HD1 . 10070 1 171 . 1 1 23 23 LEU HD12 H 1 0.521 0.030 . 1 . . . . 23 LEU HD1 . 10070 1 172 . 1 1 23 23 LEU HD13 H 1 0.521 0.030 . 1 . . . . 23 LEU HD1 . 10070 1 173 . 1 1 23 23 LEU HD21 H 1 0.522 0.030 . 1 . . . . 23 LEU HD2 . 10070 1 174 . 1 1 23 23 LEU HD22 H 1 0.522 0.030 . 1 . . . . 23 LEU HD2 . 10070 1 175 . 1 1 23 23 LEU HD23 H 1 0.522 0.030 . 1 . . . . 23 LEU HD2 . 10070 1 176 . 1 1 23 23 LEU C C 13 175.611 0.300 . 1 . . . . 23 LEU C . 10070 1 177 . 1 1 23 23 LEU CA C 13 53.815 0.300 . 1 . . . . 23 LEU CA . 10070 1 178 . 1 1 23 23 LEU CB C 13 40.932 0.300 . 1 . . . . 23 LEU CB . 10070 1 179 . 1 1 23 23 LEU CG C 13 27.661 0.300 . 1 . . . . 23 LEU CG . 10070 1 180 . 1 1 23 23 LEU CD1 C 13 25.986 0.300 . 2 . . . . 23 LEU CD1 . 10070 1 181 . 1 1 23 23 LEU CD2 C 13 24.302 0.300 . 2 . . . . 23 LEU CD2 . 10070 1 182 . 1 1 23 23 LEU N N 15 118.154 0.300 . 1 . . . . 23 LEU N . 10070 1 183 . 1 1 24 24 PRO HA H 1 4.403 0.030 . 1 . . . . 24 PRO HA . 10070 1 184 . 1 1 24 24 PRO HB2 H 1 2.183 0.030 . 2 . . . . 24 PRO HB2 . 10070 1 185 . 1 1 24 24 PRO HB3 H 1 1.943 0.030 . 2 . . . . 24 PRO HB3 . 10070 1 186 . 1 1 24 24 PRO HG2 H 1 1.759 0.030 . 1 . . . . 24 PRO HG2 . 10070 1 187 . 1 1 24 24 PRO HG3 H 1 1.759 0.030 . 1 . . . . 24 PRO HG3 . 10070 1 188 . 1 1 24 24 PRO HD2 H 1 3.443 0.030 . 2 . . . . 24 PRO HD2 . 10070 1 189 . 1 1 24 24 PRO HD3 H 1 3.378 0.030 . 2 . . . . 24 PRO HD3 . 10070 1 190 . 1 1 24 24 PRO C C 13 177.241 0.300 . 1 . . . . 24 PRO C . 10070 1 191 . 1 1 24 24 PRO CA C 13 62.207 0.300 . 1 . . . . 24 PRO CA . 10070 1 192 . 1 1 24 24 PRO CB C 13 31.828 0.300 . 1 . . . . 24 PRO CB . 10070 1 193 . 1 1 24 24 PRO CG C 13 27.480 0.300 . 1 . . . . 24 PRO CG . 10070 1 194 . 1 1 24 24 PRO CD C 13 50.346 0.300 . 1 . . . . 24 PRO CD . 10070 1 195 . 1 1 25 25 TYR H H 1 8.321 0.030 . 1 . . . . 25 TYR H . 10070 1 196 . 1 1 25 25 TYR HA H 1 4.416 0.030 . 1 . . . . 25 TYR HA . 10070 1 197 . 1 1 25 25 TYR HB2 H 1 3.103 0.030 . 2 . . . . 25 TYR HB2 . 10070 1 198 . 1 1 25 25 TYR HB3 H 1 2.960 0.030 . 2 . . . . 25 TYR HB3 . 10070 1 199 . 1 1 25 25 TYR HD1 H 1 7.124 0.030 . 1 . . . . 25 TYR HD1 . 10070 1 200 . 1 1 25 25 TYR HD2 H 1 7.124 0.030 . 1 . . . . 25 TYR HD2 . 10070 1 201 . 1 1 25 25 TYR HE1 H 1 6.826 0.030 . 1 . . . . 25 TYR HE1 . 10070 1 202 . 1 1 25 25 TYR HE2 H 1 6.826 0.030 . 1 . . . . 25 TYR HE2 . 10070 1 203 . 1 1 25 25 TYR C C 13 177.160 0.300 . 1 . . . . 25 TYR C . 10070 1 204 . 1 1 25 25 TYR CA C 13 59.954 0.300 . 1 . . . . 25 TYR CA . 10070 1 205 . 1 1 25 25 TYR CB C 13 38.064 0.300 . 1 . . . . 25 TYR CB . 10070 1 206 . 1 1 25 25 TYR CD1 C 13 133.146 0.300 . 1 . . . . 25 TYR CD1 . 10070 1 207 . 1 1 25 25 TYR CD2 C 13 133.146 0.300 . 1 . . . . 25 TYR CD2 . 10070 1 208 . 1 1 25 25 TYR CE1 C 13 118.425 0.300 . 1 . . . . 25 TYR CE1 . 10070 1 209 . 1 1 25 25 TYR CE2 C 13 118.425 0.300 . 1 . . . . 25 TYR CE2 . 10070 1 210 . 1 1 25 25 TYR N N 15 122.696 0.300 . 1 . . . . 25 TYR N . 10070 1 211 . 1 1 26 26 ARG H H 1 8.004 0.030 . 1 . . . . 26 ARG H . 10070 1 212 . 1 1 26 26 ARG HA H 1 4.143 0.030 . 1 . . . . 26 ARG HA . 10070 1 213 . 1 1 26 26 ARG HB2 H 1 1.991 0.030 . 2 . . . . 26 ARG HB2 . 10070 1 214 . 1 1 26 26 ARG HB3 H 1 1.701 0.030 . 2 . . . . 26 ARG HB3 . 10070 1 215 . 1 1 26 26 ARG HG2 H 1 1.401 0.030 . 2 . . . . 26 ARG HG2 . 10070 1 216 . 1 1 26 26 ARG HG3 H 1 1.360 0.030 . 2 . . . . 26 ARG HG3 . 10070 1 217 . 1 1 26 26 ARG HD2 H 1 3.129 0.030 . 1 . . . . 26 ARG HD2 . 10070 1 218 . 1 1 26 26 ARG HD3 H 1 3.129 0.030 . 1 . . . . 26 ARG HD3 . 10070 1 219 . 1 1 26 26 ARG C C 13 176.103 0.300 . 1 . . . . 26 ARG C . 10070 1 220 . 1 1 26 26 ARG CA C 13 55.621 0.300 . 1 . . . . 26 ARG CA . 10070 1 221 . 1 1 26 26 ARG CB C 13 28.896 0.300 . 1 . . . . 26 ARG CB . 10070 1 222 . 1 1 26 26 ARG CG C 13 27.440 0.300 . 1 . . . . 26 ARG CG . 10070 1 223 . 1 1 26 26 ARG CD C 13 43.334 0.300 . 1 . . . . 26 ARG CD . 10070 1 224 . 1 1 26 26 ARG N N 15 115.418 0.300 . 1 . . . . 26 ARG N . 10070 1 225 . 1 1 27 27 ALA H H 1 7.477 0.030 . 1 . . . . 27 ALA H . 10070 1 226 . 1 1 27 27 ALA HA H 1 4.341 0.030 . 1 . . . . 27 ALA HA . 10070 1 227 . 1 1 27 27 ALA HB1 H 1 1.252 0.030 . 1 . . . . 27 ALA HB . 10070 1 228 . 1 1 27 27 ALA HB2 H 1 1.252 0.030 . 1 . . . . 27 ALA HB . 10070 1 229 . 1 1 27 27 ALA HB3 H 1 1.252 0.030 . 1 . . . . 27 ALA HB . 10070 1 230 . 1 1 27 27 ALA C C 13 177.297 0.300 . 1 . . . . 27 ALA C . 10070 1 231 . 1 1 27 27 ALA CA C 13 53.140 0.300 . 1 . . . . 27 ALA CA . 10070 1 232 . 1 1 27 27 ALA CB C 13 19.151 0.300 . 1 . . . . 27 ALA CB . 10070 1 233 . 1 1 27 27 ALA N N 15 122.302 0.300 . 1 . . . . 27 ALA N . 10070 1 234 . 1 1 28 28 THR H H 1 8.907 0.030 . 1 . . . . 28 THR H . 10070 1 235 . 1 1 28 28 THR HA H 1 4.612 0.030 . 1 . . . . 28 THR HA . 10070 1 236 . 1 1 28 28 THR HB H 1 4.637 0.030 . 1 . . . . 28 THR HB . 10070 1 237 . 1 1 28 28 THR HG21 H 1 1.312 0.030 . 1 . . . . 28 THR HG2 . 10070 1 238 . 1 1 28 28 THR HG22 H 1 1.312 0.030 . 1 . . . . 28 THR HG2 . 10070 1 239 . 1 1 28 28 THR HG23 H 1 1.312 0.030 . 1 . . . . 28 THR HG2 . 10070 1 240 . 1 1 28 28 THR C C 13 175.958 0.300 . 1 . . . . 28 THR C . 10070 1 241 . 1 1 28 28 THR CA C 13 59.175 0.300 . 1 . . . . 28 THR CA . 10070 1 242 . 1 1 28 28 THR CB C 13 73.164 0.300 . 1 . . . . 28 THR CB . 10070 1 243 . 1 1 28 28 THR CG2 C 13 21.627 0.300 . 1 . . . . 28 THR CG2 . 10070 1 244 . 1 1 28 28 THR N N 15 111.804 0.300 . 1 . . . . 28 THR N . 10070 1 245 . 1 1 29 29 GLU H H 1 9.341 0.030 . 1 . . . . 29 GLU H . 10070 1 246 . 1 1 29 29 GLU HA H 1 3.725 0.030 . 1 . . . . 29 GLU HA . 10070 1 247 . 1 1 29 29 GLU HB2 H 1 2.139 0.030 . 2 . . . . 29 GLU HB2 . 10070 1 248 . 1 1 29 29 GLU HB3 H 1 2.039 0.030 . 2 . . . . 29 GLU HB3 . 10070 1 249 . 1 1 29 29 GLU HG2 H 1 2.350 0.030 . 2 . . . . 29 GLU HG2 . 10070 1 250 . 1 1 29 29 GLU HG3 H 1 2.247 0.030 . 2 . . . . 29 GLU HG3 . 10070 1 251 . 1 1 29 29 GLU C C 13 178.588 0.300 . 1 . . . . 29 GLU C . 10070 1 252 . 1 1 29 29 GLU CA C 13 61.360 0.300 . 1 . . . . 29 GLU CA . 10070 1 253 . 1 1 29 29 GLU CB C 13 28.995 0.300 . 1 . . . . 29 GLU CB . 10070 1 254 . 1 1 29 29 GLU CG C 13 37.241 0.300 . 1 . . . . 29 GLU CG . 10070 1 255 . 1 1 29 29 GLU N N 15 120.156 0.300 . 1 . . . . 29 GLU N . 10070 1 256 . 1 1 30 30 ASN H H 1 8.365 0.030 . 1 . . . . 30 ASN H . 10070 1 257 . 1 1 30 30 ASN HA H 1 4.572 0.030 . 1 . . . . 30 ASN HA . 10070 1 258 . 1 1 30 30 ASN HB2 H 1 2.750 0.030 . 2 . . . . 30 ASN HB2 . 10070 1 259 . 1 1 30 30 ASN HB3 H 1 2.720 0.030 . 2 . . . . 30 ASN HB3 . 10070 1 260 . 1 1 30 30 ASN HD21 H 1 7.713 0.030 . 2 . . . . 30 ASN HD21 . 10070 1 261 . 1 1 30 30 ASN HD22 H 1 7.001 0.030 . 2 . . . . 30 ASN HD22 . 10070 1 262 . 1 1 30 30 ASN C C 13 177.362 0.300 . 1 . . . . 30 ASN C . 10070 1 263 . 1 1 30 30 ASN CA C 13 56.913 0.300 . 1 . . . . 30 ASN CA . 10070 1 264 . 1 1 30 30 ASN CB C 13 38.585 0.300 . 1 . . . . 30 ASN CB . 10070 1 265 . 1 1 30 30 ASN N N 15 116.742 0.300 . 1 . . . . 30 ASN N . 10070 1 266 . 1 1 30 30 ASN ND2 N 15 113.279 0.300 . 1 . . . . 30 ASN ND2 . 10070 1 267 . 1 1 31 31 ASP H H 1 7.789 0.030 . 1 . . . . 31 ASP H . 10070 1 268 . 1 1 31 31 ASP HA H 1 4.443 0.030 . 1 . . . . 31 ASP HA . 10070 1 269 . 1 1 31 31 ASP HB2 H 1 3.029 0.030 . 2 . . . . 31 ASP HB2 . 10070 1 270 . 1 1 31 31 ASP HB3 H 1 2.627 0.030 . 2 . . . . 31 ASP HB3 . 10070 1 271 . 1 1 31 31 ASP C C 13 179.354 0.300 . 1 . . . . 31 ASP C . 10070 1 272 . 1 1 31 31 ASP CA C 13 57.751 0.300 . 1 . . . . 31 ASP CA . 10070 1 273 . 1 1 31 31 ASP CB C 13 40.960 0.300 . 1 . . . . 31 ASP CB . 10070 1 274 . 1 1 31 31 ASP N N 15 119.059 0.300 . 1 . . . . 31 ASP N . 10070 1 275 . 1 1 32 32 ILE H H 1 7.698 0.030 . 1 . . . . 32 ILE H . 10070 1 276 . 1 1 32 32 ILE HA H 1 3.487 0.030 . 1 . . . . 32 ILE HA . 10070 1 277 . 1 1 32 32 ILE HB H 1 2.031 0.030 . 1 . . . . 32 ILE HB . 10070 1 278 . 1 1 32 32 ILE HG12 H 1 1.579 0.030 . 2 . . . . 32 ILE HG12 . 10070 1 279 . 1 1 32 32 ILE HG13 H 1 0.637 0.030 . 2 . . . . 32 ILE HG13 . 10070 1 280 . 1 1 32 32 ILE HG21 H 1 0.903 0.030 . 1 . . . . 32 ILE HG2 . 10070 1 281 . 1 1 32 32 ILE HG22 H 1 0.903 0.030 . 1 . . . . 32 ILE HG2 . 10070 1 282 . 1 1 32 32 ILE HG23 H 1 0.903 0.030 . 1 . . . . 32 ILE HG2 . 10070 1 283 . 1 1 32 32 ILE HD11 H 1 0.503 0.030 . 1 . . . . 32 ILE HD1 . 10070 1 284 . 1 1 32 32 ILE HD12 H 1 0.503 0.030 . 1 . . . . 32 ILE HD1 . 10070 1 285 . 1 1 32 32 ILE HD13 H 1 0.503 0.030 . 1 . . . . 32 ILE HD1 . 10070 1 286 . 1 1 32 32 ILE C C 13 177.515 0.300 . 1 . . . . 32 ILE C . 10070 1 287 . 1 1 32 32 ILE CA C 13 65.720 0.300 . 1 . . . . 32 ILE CA . 10070 1 288 . 1 1 32 32 ILE CB C 13 37.121 0.300 . 1 . . . . 32 ILE CB . 10070 1 289 . 1 1 32 32 ILE CG1 C 13 29.542 0.300 . 1 . . . . 32 ILE CG1 . 10070 1 290 . 1 1 32 32 ILE CG2 C 13 19.341 0.300 . 1 . . . . 32 ILE CG2 . 10070 1 291 . 1 1 32 32 ILE CD1 C 13 13.608 0.300 . 1 . . . . 32 ILE CD1 . 10070 1 292 . 1 1 32 32 ILE N N 15 122.066 0.300 . 1 . . . . 32 ILE N . 10070 1 293 . 1 1 33 33 TYR H H 1 8.546 0.030 . 1 . . . . 33 TYR H . 10070 1 294 . 1 1 33 33 TYR HA H 1 4.056 0.030 . 1 . . . . 33 TYR HA . 10070 1 295 . 1 1 33 33 TYR HB2 H 1 3.158 0.030 . 2 . . . . 33 TYR HB2 . 10070 1 296 . 1 1 33 33 TYR HB3 H 1 3.120 0.030 . 2 . . . . 33 TYR HB3 . 10070 1 297 . 1 1 33 33 TYR HD1 H 1 7.274 0.030 . 1 . . . . 33 TYR HD1 . 10070 1 298 . 1 1 33 33 TYR HD2 H 1 7.274 0.030 . 1 . . . . 33 TYR HD2 . 10070 1 299 . 1 1 33 33 TYR HE1 H 1 6.805 0.030 . 1 . . . . 33 TYR HE1 . 10070 1 300 . 1 1 33 33 TYR HE2 H 1 6.805 0.030 . 1 . . . . 33 TYR HE2 . 10070 1 301 . 1 1 33 33 TYR C C 13 180.129 0.300 . 1 . . . . 33 TYR C . 10070 1 302 . 1 1 33 33 TYR CA C 13 63.816 0.300 . 1 . . . . 33 TYR CA . 10070 1 303 . 1 1 33 33 TYR CB C 13 37.816 0.300 . 1 . . . . 33 TYR CB . 10070 1 304 . 1 1 33 33 TYR CD1 C 13 132.928 0.300 . 1 . . . . 33 TYR CD1 . 10070 1 305 . 1 1 33 33 TYR CD2 C 13 132.928 0.300 . 1 . . . . 33 TYR CD2 . 10070 1 306 . 1 1 33 33 TYR CE1 C 13 118.486 0.300 . 1 . . . . 33 TYR CE1 . 10070 1 307 . 1 1 33 33 TYR CE2 C 13 118.486 0.300 . 1 . . . . 33 TYR CE2 . 10070 1 308 . 1 1 33 33 TYR N N 15 119.869 0.300 . 1 . . . . 33 TYR N . 10070 1 309 . 1 1 34 34 ASN H H 1 8.456 0.030 . 1 . . . . 34 ASN H . 10070 1 310 . 1 1 34 34 ASN HA H 1 4.529 0.030 . 1 . . . . 34 ASN HA . 10070 1 311 . 1 1 34 34 ASN HB2 H 1 2.963 0.030 . 2 . . . . 34 ASN HB2 . 10070 1 312 . 1 1 34 34 ASN HB3 H 1 2.916 0.030 . 2 . . . . 34 ASN HB3 . 10070 1 313 . 1 1 34 34 ASN HD21 H 1 6.859 0.030 . 2 . . . . 34 ASN HD21 . 10070 1 314 . 1 1 34 34 ASN HD22 H 1 7.790 0.030 . 2 . . . . 34 ASN HD22 . 10070 1 315 . 1 1 34 34 ASN C C 13 177.273 0.300 . 1 . . . . 34 ASN C . 10070 1 316 . 1 1 34 34 ASN CA C 13 56.229 0.300 . 1 . . . . 34 ASN CA . 10070 1 317 . 1 1 34 34 ASN CB C 13 38.078 0.300 . 1 . . . . 34 ASN CB . 10070 1 318 . 1 1 34 34 ASN N N 15 117.332 0.300 . 1 . . . . 34 ASN N . 10070 1 319 . 1 1 34 34 ASN ND2 N 15 112.601 0.300 . 1 . . . . 34 ASN ND2 . 10070 1 320 . 1 1 35 35 PHE H H 1 8.027 0.030 . 1 . . . . 35 PHE H . 10070 1 321 . 1 1 35 35 PHE HA H 1 4.179 0.030 . 1 . . . . 35 PHE HA . 10070 1 322 . 1 1 35 35 PHE HB2 H 1 3.097 0.030 . 2 . . . . 35 PHE HB2 . 10070 1 323 . 1 1 35 35 PHE HB3 H 1 3.014 0.030 . 2 . . . . 35 PHE HB3 . 10070 1 324 . 1 1 35 35 PHE HD1 H 1 6.156 0.030 . 1 . . . . 35 PHE HD1 . 10070 1 325 . 1 1 35 35 PHE HD2 H 1 6.156 0.030 . 1 . . . . 35 PHE HD2 . 10070 1 326 . 1 1 35 35 PHE HE1 H 1 6.718 0.030 . 1 . . . . 35 PHE HE1 . 10070 1 327 . 1 1 35 35 PHE HE2 H 1 6.718 0.030 . 1 . . . . 35 PHE HE2 . 10070 1 328 . 1 1 35 35 PHE HZ H 1 7.159 0.030 . 1 . . . . 35 PHE HZ . 10070 1 329 . 1 1 35 35 PHE C C 13 175.990 0.300 . 1 . . . . 35 PHE C . 10070 1 330 . 1 1 35 35 PHE CA C 13 60.807 0.300 . 1 . . . . 35 PHE CA . 10070 1 331 . 1 1 35 35 PHE CB C 13 39.760 0.300 . 1 . . . . 35 PHE CB . 10070 1 332 . 1 1 35 35 PHE CD1 C 13 131.410 0.300 . 1 . . . . 35 PHE CD1 . 10070 1 333 . 1 1 35 35 PHE CD2 C 13 131.410 0.300 . 1 . . . . 35 PHE CD2 . 10070 1 334 . 1 1 35 35 PHE CE1 C 13 130.947 0.300 . 1 . . . . 35 PHE CE1 . 10070 1 335 . 1 1 35 35 PHE CE2 C 13 130.947 0.300 . 1 . . . . 35 PHE CE2 . 10070 1 336 . 1 1 35 35 PHE CZ C 13 130.464 0.300 . 1 . . . . 35 PHE CZ . 10070 1 337 . 1 1 35 35 PHE N N 15 121.903 0.300 . 1 . . . . 35 PHE N . 10070 1 338 . 1 1 36 36 PHE H H 1 7.375 0.030 . 1 . . . . 36 PHE H . 10070 1 339 . 1 1 36 36 PHE HA H 1 4.472 0.030 . 1 . . . . 36 PHE HA . 10070 1 340 . 1 1 36 36 PHE HB2 H 1 3.572 0.030 . 2 . . . . 36 PHE HB2 . 10070 1 341 . 1 1 36 36 PHE HB3 H 1 2.643 0.030 . 2 . . . . 36 PHE HB3 . 10070 1 342 . 1 1 36 36 PHE HD1 H 1 7.417 0.030 . 1 . . . . 36 PHE HD1 . 10070 1 343 . 1 1 36 36 PHE HD2 H 1 7.417 0.030 . 1 . . . . 36 PHE HD2 . 10070 1 344 . 1 1 36 36 PHE HE1 H 1 7.676 0.030 . 1 . . . . 36 PHE HE1 . 10070 1 345 . 1 1 36 36 PHE HE2 H 1 7.676 0.030 . 1 . . . . 36 PHE HE2 . 10070 1 346 . 1 1 36 36 PHE HZ H 1 7.250 0.030 . 1 . . . . 36 PHE HZ . 10070 1 347 . 1 1 36 36 PHE C C 13 175.337 0.300 . 1 . . . . 36 PHE C . 10070 1 348 . 1 1 36 36 PHE CA C 13 59.834 0.300 . 1 . . . . 36 PHE CA . 10070 1 349 . 1 1 36 36 PHE CB C 13 40.179 0.300 . 1 . . . . 36 PHE CB . 10070 1 350 . 1 1 36 36 PHE CD1 C 13 131.785 0.300 . 1 . . . . 36 PHE CD1 . 10070 1 351 . 1 1 36 36 PHE CD2 C 13 131.785 0.300 . 1 . . . . 36 PHE CD2 . 10070 1 352 . 1 1 36 36 PHE CE1 C 13 132.403 0.300 . 1 . . . . 36 PHE CE1 . 10070 1 353 . 1 1 36 36 PHE CE2 C 13 132.403 0.300 . 1 . . . . 36 PHE CE2 . 10070 1 354 . 1 1 36 36 PHE CZ C 13 128.783 0.300 . 1 . . . . 36 PHE CZ . 10070 1 355 . 1 1 36 36 PHE N N 15 110.854 0.300 . 1 . . . . 36 PHE N . 10070 1 356 . 1 1 37 37 SER H H 1 7.485 0.030 . 1 . . . . 37 SER H . 10070 1 357 . 1 1 37 37 SER HA H 1 4.604 0.030 . 1 . . . . 37 SER HA . 10070 1 358 . 1 1 37 37 SER HB2 H 1 4.169 0.030 . 2 . . . . 37 SER HB2 . 10070 1 359 . 1 1 37 37 SER HB3 H 1 3.985 0.030 . 2 . . . . 37 SER HB3 . 10070 1 360 . 1 1 37 37 SER C C 13 173.885 0.300 . 1 . . . . 37 SER C . 10070 1 361 . 1 1 37 37 SER CA C 13 57.940 0.300 . 1 . . . . 37 SER CA . 10070 1 362 . 1 1 37 37 SER CB C 13 63.395 0.300 . 1 . . . . 37 SER CB . 10070 1 363 . 1 1 37 37 SER N N 15 117.522 0.300 . 1 . . . . 37 SER N . 10070 1 364 . 1 1 38 38 PRO HA H 1 4.907 0.030 . 1 . . . . 38 PRO HA . 10070 1 365 . 1 1 38 38 PRO HB2 H 1 2.391 0.030 . 2 . . . . 38 PRO HB2 . 10070 1 366 . 1 1 38 38 PRO HB3 H 1 2.154 0.030 . 2 . . . . 38 PRO HB3 . 10070 1 367 . 1 1 38 38 PRO HG2 H 1 1.994 0.030 . 2 . . . . 38 PRO HG2 . 10070 1 368 . 1 1 38 38 PRO HG3 H 1 1.686 0.030 . 2 . . . . 38 PRO HG3 . 10070 1 369 . 1 1 38 38 PRO HD2 H 1 3.562 0.030 . 2 . . . . 38 PRO HD2 . 10070 1 370 . 1 1 38 38 PRO HD3 H 1 3.520 0.030 . 2 . . . . 38 PRO HD3 . 10070 1 371 . 1 1 38 38 PRO C C 13 177.338 0.300 . 1 . . . . 38 PRO C . 10070 1 372 . 1 1 38 38 PRO CA C 13 63.957 0.300 . 1 . . . . 38 PRO CA . 10070 1 373 . 1 1 38 38 PRO CB C 13 33.658 0.300 . 1 . . . . 38 PRO CB . 10070 1 374 . 1 1 38 38 PRO CG C 13 24.450 0.300 . 1 . . . . 38 PRO CG . 10070 1 375 . 1 1 38 38 PRO CD C 13 50.101 0.300 . 1 . . . . 38 PRO CD . 10070 1 376 . 1 1 39 39 LEU H H 1 8.932 0.030 . 1 . . . . 39 LEU H . 10070 1 377 . 1 1 39 39 LEU HA H 1 4.359 0.030 . 1 . . . . 39 LEU HA . 10070 1 378 . 1 1 39 39 LEU HB2 H 1 1.991 0.030 . 2 . . . . 39 LEU HB2 . 10070 1 379 . 1 1 39 39 LEU HB3 H 1 1.326 0.030 . 2 . . . . 39 LEU HB3 . 10070 1 380 . 1 1 39 39 LEU HG H 1 1.702 0.030 . 1 . . . . 39 LEU HG . 10070 1 381 . 1 1 39 39 LEU HD11 H 1 0.758 0.030 . 1 . . . . 39 LEU HD1 . 10070 1 382 . 1 1 39 39 LEU HD12 H 1 0.758 0.030 . 1 . . . . 39 LEU HD1 . 10070 1 383 . 1 1 39 39 LEU HD13 H 1 0.758 0.030 . 1 . . . . 39 LEU HD1 . 10070 1 384 . 1 1 39 39 LEU HD21 H 1 0.749 0.030 . 1 . . . . 39 LEU HD2 . 10070 1 385 . 1 1 39 39 LEU HD22 H 1 0.749 0.030 . 1 . . . . 39 LEU HD2 . 10070 1 386 . 1 1 39 39 LEU HD23 H 1 0.749 0.030 . 1 . . . . 39 LEU HD2 . 10070 1 387 . 1 1 39 39 LEU C C 13 176.233 0.300 . 1 . . . . 39 LEU C . 10070 1 388 . 1 1 39 39 LEU CA C 13 55.658 0.300 . 1 . . . . 39 LEU CA . 10070 1 389 . 1 1 39 39 LEU CB C 13 43.151 0.300 . 1 . . . . 39 LEU CB . 10070 1 390 . 1 1 39 39 LEU CG C 13 27.203 0.300 . 1 . . . . 39 LEU CG . 10070 1 391 . 1 1 39 39 LEU CD1 C 13 25.903 0.300 . 2 . . . . 39 LEU CD1 . 10070 1 392 . 1 1 39 39 LEU CD2 C 13 22.660 0.300 . 2 . . . . 39 LEU CD2 . 10070 1 393 . 1 1 39 39 LEU N N 15 127.516 0.300 . 1 . . . . 39 LEU N . 10070 1 394 . 1 1 40 40 ASN H H 1 9.116 0.030 . 1 . . . . 40 ASN H . 10070 1 395 . 1 1 40 40 ASN HA H 1 5.317 0.030 . 1 . . . . 40 ASN HA . 10070 1 396 . 1 1 40 40 ASN HB2 H 1 2.856 0.030 . 2 . . . . 40 ASN HB2 . 10070 1 397 . 1 1 40 40 ASN HB3 H 1 2.729 0.030 . 2 . . . . 40 ASN HB3 . 10070 1 398 . 1 1 40 40 ASN HD21 H 1 7.483 0.030 . 2 . . . . 40 ASN HD21 . 10070 1 399 . 1 1 40 40 ASN HD22 H 1 6.761 0.030 . 2 . . . . 40 ASN HD22 . 10070 1 400 . 1 1 40 40 ASN C C 13 172.643 0.300 . 1 . . . . 40 ASN C . 10070 1 401 . 1 1 40 40 ASN CA C 13 50.538 0.300 . 1 . . . . 40 ASN CA . 10070 1 402 . 1 1 40 40 ASN CB C 13 40.151 0.300 . 1 . . . . 40 ASN CB . 10070 1 403 . 1 1 40 40 ASN N N 15 119.241 0.300 . 1 . . . . 40 ASN N . 10070 1 404 . 1 1 40 40 ASN ND2 N 15 112.517 0.300 . 1 . . . . 40 ASN ND2 . 10070 1 405 . 1 1 41 41 PRO HA H 1 3.865 0.030 . 1 . . . . 41 PRO HA . 10070 1 406 . 1 1 41 41 PRO HB2 H 1 1.249 0.030 . 2 . . . . 41 PRO HB2 . 10070 1 407 . 1 1 41 41 PRO HB3 H 1 1.202 0.030 . 2 . . . . 41 PRO HB3 . 10070 1 408 . 1 1 41 41 PRO HG2 H 1 1.334 0.030 . 2 . . . . 41 PRO HG2 . 10070 1 409 . 1 1 41 41 PRO HG3 H 1 1.183 0.030 . 2 . . . . 41 PRO HG3 . 10070 1 410 . 1 1 41 41 PRO HD2 H 1 3.750 0.030 . 1 . . . . 41 PRO HD2 . 10070 1 411 . 1 1 41 41 PRO HD3 H 1 3.750 0.030 . 1 . . . . 41 PRO HD3 . 10070 1 412 . 1 1 41 41 PRO C C 13 175.321 0.300 . 1 . . . . 41 PRO C . 10070 1 413 . 1 1 41 41 PRO CA C 13 62.571 0.300 . 1 . . . . 41 PRO CA . 10070 1 414 . 1 1 41 41 PRO CB C 13 31.558 0.300 . 1 . . . . 41 PRO CB . 10070 1 415 . 1 1 41 41 PRO CG C 13 26.736 0.300 . 1 . . . . 41 PRO CG . 10070 1 416 . 1 1 41 41 PRO CD C 13 50.584 0.300 . 1 . . . . 41 PRO CD . 10070 1 417 . 1 1 42 42 MET H H 1 8.938 0.030 . 1 . . . . 42 MET H . 10070 1 418 . 1 1 42 42 MET HA H 1 4.421 0.030 . 1 . . . . 42 MET HA . 10070 1 419 . 1 1 42 42 MET HB2 H 1 2.084 0.030 . 2 . . . . 42 MET HB2 . 10070 1 420 . 1 1 42 42 MET HB3 H 1 1.720 0.030 . 2 . . . . 42 MET HB3 . 10070 1 421 . 1 1 42 42 MET HG2 H 1 2.504 0.030 . 1 . . . . 42 MET HG2 . 10070 1 422 . 1 1 42 42 MET HG3 H 1 2.504 0.030 . 1 . . . . 42 MET HG3 . 10070 1 423 . 1 1 42 42 MET HE1 H 1 2.095 0.030 . 1 . . . . 42 MET HE . 10070 1 424 . 1 1 42 42 MET HE2 H 1 2.095 0.030 . 1 . . . . 42 MET HE . 10070 1 425 . 1 1 42 42 MET HE3 H 1 2.095 0.030 . 1 . . . . 42 MET HE . 10070 1 426 . 1 1 42 42 MET C C 13 176.829 0.300 . 1 . . . . 42 MET C . 10070 1 427 . 1 1 42 42 MET CA C 13 56.683 0.300 . 1 . . . . 42 MET CA . 10070 1 428 . 1 1 42 42 MET CB C 13 34.672 0.300 . 1 . . . . 42 MET CB . 10070 1 429 . 1 1 42 42 MET CG C 13 31.777 0.300 . 1 . . . . 42 MET CG . 10070 1 430 . 1 1 42 42 MET CE C 13 16.821 0.300 . 1 . . . . 42 MET CE . 10070 1 431 . 1 1 42 42 MET N N 15 119.446 0.300 . 1 . . . . 42 MET N . 10070 1 432 . 1 1 43 43 ARG H H 1 7.275 0.030 . 1 . . . . 43 ARG H . 10070 1 433 . 1 1 43 43 ARG HA H 1 4.573 0.030 . 1 . . . . 43 ARG HA . 10070 1 434 . 1 1 43 43 ARG HB2 H 1 1.845 0.030 . 1 . . . . 43 ARG HB2 . 10070 1 435 . 1 1 43 43 ARG HB3 H 1 1.845 0.030 . 1 . . . . 43 ARG HB3 . 10070 1 436 . 1 1 43 43 ARG HG2 H 1 1.588 0.030 . 2 . . . . 43 ARG HG2 . 10070 1 437 . 1 1 43 43 ARG HG3 H 1 1.544 0.030 . 2 . . . . 43 ARG HG3 . 10070 1 438 . 1 1 43 43 ARG HD2 H 1 3.283 0.030 . 2 . . . . 43 ARG HD2 . 10070 1 439 . 1 1 43 43 ARG HD3 H 1 3.227 0.030 . 2 . . . . 43 ARG HD3 . 10070 1 440 . 1 1 43 43 ARG C C 13 173.538 0.300 . 1 . . . . 43 ARG C . 10070 1 441 . 1 1 43 43 ARG CA C 13 56.046 0.300 . 1 . . . . 43 ARG CA . 10070 1 442 . 1 1 43 43 ARG CB C 13 34.504 0.300 . 1 . . . . 43 ARG CB . 10070 1 443 . 1 1 43 43 ARG CG C 13 27.673 0.300 . 1 . . . . 43 ARG CG . 10070 1 444 . 1 1 43 43 ARG CD C 13 43.696 0.300 . 1 . . . . 43 ARG CD . 10070 1 445 . 1 1 43 43 ARG N N 15 114.334 0.300 . 1 . . . . 43 ARG N . 10070 1 446 . 1 1 44 44 VAL H H 1 8.606 0.030 . 1 . . . . 44 VAL H . 10070 1 447 . 1 1 44 44 VAL HA H 1 4.418 0.030 . 1 . . . . 44 VAL HA . 10070 1 448 . 1 1 44 44 VAL HB H 1 1.856 0.030 . 1 . . . . 44 VAL HB . 10070 1 449 . 1 1 44 44 VAL HG11 H 1 0.758 0.030 . 1 . . . . 44 VAL HG1 . 10070 1 450 . 1 1 44 44 VAL HG12 H 1 0.758 0.030 . 1 . . . . 44 VAL HG1 . 10070 1 451 . 1 1 44 44 VAL HG13 H 1 0.758 0.030 . 1 . . . . 44 VAL HG1 . 10070 1 452 . 1 1 44 44 VAL HG21 H 1 0.543 0.030 . 1 . . . . 44 VAL HG2 . 10070 1 453 . 1 1 44 44 VAL HG22 H 1 0.543 0.030 . 1 . . . . 44 VAL HG2 . 10070 1 454 . 1 1 44 44 VAL HG23 H 1 0.543 0.030 . 1 . . . . 44 VAL HG2 . 10070 1 455 . 1 1 44 44 VAL C C 13 173.587 0.300 . 1 . . . . 44 VAL C . 10070 1 456 . 1 1 44 44 VAL CA C 13 61.303 0.300 . 1 . . . . 44 VAL CA . 10070 1 457 . 1 1 44 44 VAL CB C 13 35.173 0.300 . 1 . . . . 44 VAL CB . 10070 1 458 . 1 1 44 44 VAL CG1 C 13 22.189 0.300 . 2 . . . . 44 VAL CG1 . 10070 1 459 . 1 1 44 44 VAL CG2 C 13 21.255 0.300 . 2 . . . . 44 VAL CG2 . 10070 1 460 . 1 1 44 44 VAL N N 15 122.282 0.300 . 1 . . . . 44 VAL N . 10070 1 461 . 1 1 45 45 HIS H H 1 9.058 0.030 . 1 . . . . 45 HIS H . 10070 1 462 . 1 1 45 45 HIS HA H 1 4.975 0.030 . 1 . . . . 45 HIS HA . 10070 1 463 . 1 1 45 45 HIS HB2 H 1 2.852 0.030 . 1 . . . . 45 HIS HB2 . 10070 1 464 . 1 1 45 45 HIS HB3 H 1 2.852 0.030 . 1 . . . . 45 HIS HB3 . 10070 1 465 . 1 1 45 45 HIS HD2 H 1 7.015 0.030 . 1 . . . . 45 HIS HD2 . 10070 1 466 . 1 1 45 45 HIS HE1 H 1 7.955 0.030 . 1 . . . . 45 HIS HE1 . 10070 1 467 . 1 1 45 45 HIS C C 13 173.869 0.300 . 1 . . . . 45 HIS C . 10070 1 468 . 1 1 45 45 HIS CA C 13 54.775 0.300 . 1 . . . . 45 HIS CA . 10070 1 469 . 1 1 45 45 HIS CB C 13 32.684 0.300 . 1 . . . . 45 HIS CB . 10070 1 470 . 1 1 45 45 HIS CD2 C 13 120.881 0.300 . 1 . . . . 45 HIS CD2 . 10070 1 471 . 1 1 45 45 HIS CE1 C 13 138.109 0.300 . 1 . . . . 45 HIS CE1 . 10070 1 472 . 1 1 45 45 HIS N N 15 126.431 0.300 . 1 . . . . 45 HIS N . 10070 1 473 . 1 1 46 46 ILE H H 1 8.753 0.030 . 1 . . . . 46 ILE H . 10070 1 474 . 1 1 46 46 ILE HA H 1 3.773 0.030 . 1 . . . . 46 ILE HA . 10070 1 475 . 1 1 46 46 ILE HB H 1 1.626 0.030 . 1 . . . . 46 ILE HB . 10070 1 476 . 1 1 46 46 ILE HG12 H 1 1.394 0.030 . 2 . . . . 46 ILE HG12 . 10070 1 477 . 1 1 46 46 ILE HG13 H 1 0.558 0.030 . 2 . . . . 46 ILE HG13 . 10070 1 478 . 1 1 46 46 ILE HG21 H 1 0.823 0.030 . 1 . . . . 46 ILE HG2 . 10070 1 479 . 1 1 46 46 ILE HG22 H 1 0.823 0.030 . 1 . . . . 46 ILE HG2 . 10070 1 480 . 1 1 46 46 ILE HG23 H 1 0.823 0.030 . 1 . . . . 46 ILE HG2 . 10070 1 481 . 1 1 46 46 ILE HD11 H 1 0.592 0.030 . 1 . . . . 46 ILE HD1 . 10070 1 482 . 1 1 46 46 ILE HD12 H 1 0.592 0.030 . 1 . . . . 46 ILE HD1 . 10070 1 483 . 1 1 46 46 ILE HD13 H 1 0.592 0.030 . 1 . . . . 46 ILE HD1 . 10070 1 484 . 1 1 46 46 ILE C C 13 174.676 0.300 . 1 . . . . 46 ILE C . 10070 1 485 . 1 1 46 46 ILE CA C 13 61.894 0.300 . 1 . . . . 46 ILE CA . 10070 1 486 . 1 1 46 46 ILE CB C 13 38.232 0.300 . 1 . . . . 46 ILE CB . 10070 1 487 . 1 1 46 46 ILE CG1 C 13 28.829 0.300 . 1 . . . . 46 ILE CG1 . 10070 1 488 . 1 1 46 46 ILE CG2 C 13 17.671 0.300 . 1 . . . . 46 ILE CG2 . 10070 1 489 . 1 1 46 46 ILE CD1 C 13 12.601 0.300 . 1 . . . . 46 ILE CD1 . 10070 1 490 . 1 1 46 46 ILE N N 15 129.326 0.300 . 1 . . . . 46 ILE N . 10070 1 491 . 1 1 47 47 GLU H H 1 7.651 0.030 . 1 . . . . 47 GLU H . 10070 1 492 . 1 1 47 47 GLU HA H 1 4.020 0.030 . 1 . . . . 47 GLU HA . 10070 1 493 . 1 1 47 47 GLU HB2 H 1 2.123 0.030 . 2 . . . . 47 GLU HB2 . 10070 1 494 . 1 1 47 47 GLU HB3 H 1 1.841 0.030 . 2 . . . . 47 GLU HB3 . 10070 1 495 . 1 1 47 47 GLU HG2 H 1 2.190 0.030 . 2 . . . . 47 GLU HG2 . 10070 1 496 . 1 1 47 47 GLU HG3 H 1 2.081 0.030 . 2 . . . . 47 GLU HG3 . 10070 1 497 . 1 1 47 47 GLU C C 13 175.603 0.300 . 1 . . . . 47 GLU C . 10070 1 498 . 1 1 47 47 GLU CA C 13 57.916 0.300 . 1 . . . . 47 GLU CA . 10070 1 499 . 1 1 47 47 GLU CB C 13 30.475 0.300 . 1 . . . . 47 GLU CB . 10070 1 500 . 1 1 47 47 GLU CG C 13 36.777 0.300 . 1 . . . . 47 GLU CG . 10070 1 501 . 1 1 47 47 GLU N N 15 128.127 0.300 . 1 . . . . 47 GLU N . 10070 1 502 . 1 1 48 48 ILE H H 1 8.514 0.030 . 1 . . . . 48 ILE H . 10070 1 503 . 1 1 48 48 ILE HA H 1 4.459 0.030 . 1 . . . . 48 ILE HA . 10070 1 504 . 1 1 48 48 ILE HB H 1 1.779 0.030 . 1 . . . . 48 ILE HB . 10070 1 505 . 1 1 48 48 ILE HG12 H 1 1.490 0.030 . 2 . . . . 48 ILE HG12 . 10070 1 506 . 1 1 48 48 ILE HG13 H 1 1.224 0.030 . 2 . . . . 48 ILE HG13 . 10070 1 507 . 1 1 48 48 ILE HG21 H 1 0.896 0.030 . 1 . . . . 48 ILE HG2 . 10070 1 508 . 1 1 48 48 ILE HG22 H 1 0.896 0.030 . 1 . . . . 48 ILE HG2 . 10070 1 509 . 1 1 48 48 ILE HG23 H 1 0.896 0.030 . 1 . . . . 48 ILE HG2 . 10070 1 510 . 1 1 48 48 ILE HD11 H 1 0.784 0.030 . 1 . . . . 48 ILE HD1 . 10070 1 511 . 1 1 48 48 ILE HD12 H 1 0.784 0.030 . 1 . . . . 48 ILE HD1 . 10070 1 512 . 1 1 48 48 ILE HD13 H 1 0.784 0.030 . 1 . . . . 48 ILE HD1 . 10070 1 513 . 1 1 48 48 ILE C C 13 176.910 0.300 . 1 . . . . 48 ILE C . 10070 1 514 . 1 1 48 48 ILE CA C 13 59.748 0.300 . 1 . . . . 48 ILE CA . 10070 1 515 . 1 1 48 48 ILE CB C 13 39.321 0.300 . 1 . . . . 48 ILE CB . 10070 1 516 . 1 1 48 48 ILE CG1 C 13 26.724 0.300 . 1 . . . . 48 ILE CG1 . 10070 1 517 . 1 1 48 48 ILE CG2 C 13 17.233 0.300 . 1 . . . . 48 ILE CG2 . 10070 1 518 . 1 1 48 48 ILE CD1 C 13 12.082 0.300 . 1 . . . . 48 ILE CD1 . 10070 1 519 . 1 1 48 48 ILE N N 15 126.940 0.300 . 1 . . . . 48 ILE N . 10070 1 520 . 1 1 49 49 GLY H H 1 8.815 0.030 . 1 . . . . 49 GLY H . 10070 1 521 . 1 1 49 49 GLY HA2 H 1 4.471 0.030 . 2 . . . . 49 GLY HA2 . 10070 1 522 . 1 1 49 49 GLY HA3 H 1 4.106 0.030 . 2 . . . . 49 GLY HA3 . 10070 1 523 . 1 1 49 49 GLY C C 13 173.708 0.300 . 1 . . . . 49 GLY C . 10070 1 524 . 1 1 49 49 GLY CA C 13 44.696 0.300 . 1 . . . . 49 GLY CA . 10070 1 525 . 1 1 49 49 GLY N N 15 113.514 0.300 . 1 . . . . 49 GLY N . 10070 1 526 . 1 1 50 50 PRO HA H 1 4.412 0.030 . 1 . . . . 50 PRO HA . 10070 1 527 . 1 1 50 50 PRO HB2 H 1 2.383 0.030 . 2 . . . . 50 PRO HB2 . 10070 1 528 . 1 1 50 50 PRO HB3 H 1 2.020 0.030 . 2 . . . . 50 PRO HB3 . 10070 1 529 . 1 1 50 50 PRO HG2 H 1 2.074 0.030 . 1 . . . . 50 PRO HG2 . 10070 1 530 . 1 1 50 50 PRO HG3 H 1 2.074 0.030 . 1 . . . . 50 PRO HG3 . 10070 1 531 . 1 1 50 50 PRO HD2 H 1 3.740 0.030 . 1 . . . . 50 PRO HD2 . 10070 1 532 . 1 1 50 50 PRO HD3 H 1 3.740 0.030 . 1 . . . . 50 PRO HD3 . 10070 1 533 . 1 1 50 50 PRO C C 13 176.515 0.300 . 1 . . . . 50 PRO C . 10070 1 534 . 1 1 50 50 PRO CA C 13 64.794 0.300 . 1 . . . . 50 PRO CA . 10070 1 535 . 1 1 50 50 PRO CB C 13 31.616 0.300 . 1 . . . . 50 PRO CB . 10070 1 536 . 1 1 50 50 PRO CG C 13 27.287 0.300 . 1 . . . . 50 PRO CG . 10070 1 537 . 1 1 50 50 PRO CD C 13 49.837 0.300 . 1 . . . . 50 PRO CD . 10070 1 538 . 1 1 51 51 ASP H H 1 8.033 0.030 . 1 . . . . 51 ASP H . 10070 1 539 . 1 1 51 51 ASP HA H 1 4.550 0.030 . 1 . . . . 51 ASP HA . 10070 1 540 . 1 1 51 51 ASP HB2 H 1 3.000 0.030 . 2 . . . . 51 ASP HB2 . 10070 1 541 . 1 1 51 51 ASP HB3 H 1 2.649 0.030 . 2 . . . . 51 ASP HB3 . 10070 1 542 . 1 1 51 51 ASP C C 13 177.080 0.300 . 1 . . . . 51 ASP C . 10070 1 543 . 1 1 51 51 ASP CA C 13 52.801 0.300 . 1 . . . . 51 ASP CA . 10070 1 544 . 1 1 51 51 ASP CB C 13 40.089 0.300 . 1 . . . . 51 ASP CB . 10070 1 545 . 1 1 51 51 ASP N N 15 115.319 0.300 . 1 . . . . 51 ASP N . 10070 1 546 . 1 1 52 52 GLY H H 1 8.287 0.030 . 1 . . . . 52 GLY H . 10070 1 547 . 1 1 52 52 GLY HA2 H 1 4.206 0.030 . 2 . . . . 52 GLY HA2 . 10070 1 548 . 1 1 52 52 GLY HA3 H 1 3.560 0.030 . 2 . . . . 52 GLY HA3 . 10070 1 549 . 1 1 52 52 GLY C C 13 173.788 0.300 . 1 . . . . 52 GLY C . 10070 1 550 . 1 1 52 52 GLY CA C 13 45.463 0.300 . 1 . . . . 52 GLY CA . 10070 1 551 . 1 1 52 52 GLY N N 15 107.833 0.300 . 1 . . . . 52 GLY N . 10070 1 552 . 1 1 53 53 ARG H H 1 7.590 0.030 . 1 . . . . 53 ARG H . 10070 1 553 . 1 1 53 53 ARG HA H 1 4.665 0.030 . 1 . . . . 53 ARG HA . 10070 1 554 . 1 1 53 53 ARG HB2 H 1 1.859 0.030 . 1 . . . . 53 ARG HB2 . 10070 1 555 . 1 1 53 53 ARG HB3 H 1 1.859 0.030 . 1 . . . . 53 ARG HB3 . 10070 1 556 . 1 1 53 53 ARG HG2 H 1 1.576 0.030 . 2 . . . . 53 ARG HG2 . 10070 1 557 . 1 1 53 53 ARG HG3 H 1 1.491 0.030 . 2 . . . . 53 ARG HG3 . 10070 1 558 . 1 1 53 53 ARG HD2 H 1 3.180 0.030 . 1 . . . . 53 ARG HD2 . 10070 1 559 . 1 1 53 53 ARG HD3 H 1 3.180 0.030 . 1 . . . . 53 ARG HD3 . 10070 1 560 . 1 1 53 53 ARG C C 13 177.136 0.300 . 1 . . . . 53 ARG C . 10070 1 561 . 1 1 53 53 ARG CA C 13 54.915 0.300 . 1 . . . . 53 ARG CA . 10070 1 562 . 1 1 53 53 ARG CB C 13 31.624 0.300 . 1 . . . . 53 ARG CB . 10070 1 563 . 1 1 53 53 ARG CG C 13 27.709 0.300 . 1 . . . . 53 ARG CG . 10070 1 564 . 1 1 53 53 ARG CD C 13 43.431 0.300 . 1 . . . . 53 ARG CD . 10070 1 565 . 1 1 53 53 ARG N N 15 119.589 0.300 . 1 . . . . 53 ARG N . 10070 1 566 . 1 1 54 54 VAL H H 1 8.401 0.030 . 1 . . . . 54 VAL H . 10070 1 567 . 1 1 54 54 VAL HA H 1 4.677 0.030 . 1 . . . . 54 VAL HA . 10070 1 568 . 1 1 54 54 VAL HB H 1 2.415 0.030 . 1 . . . . 54 VAL HB . 10070 1 569 . 1 1 54 54 VAL HG11 H 1 1.057 0.030 . 1 . . . . 54 VAL HG1 . 10070 1 570 . 1 1 54 54 VAL HG12 H 1 1.057 0.030 . 1 . . . . 54 VAL HG1 . 10070 1 571 . 1 1 54 54 VAL HG13 H 1 1.057 0.030 . 1 . . . . 54 VAL HG1 . 10070 1 572 . 1 1 54 54 VAL HG21 H 1 0.973 0.030 . 1 . . . . 54 VAL HG2 . 10070 1 573 . 1 1 54 54 VAL HG22 H 1 0.973 0.030 . 1 . . . . 54 VAL HG2 . 10070 1 574 . 1 1 54 54 VAL HG23 H 1 0.973 0.030 . 1 . . . . 54 VAL HG2 . 10070 1 575 . 1 1 54 54 VAL C C 13 177.249 0.300 . 1 . . . . 54 VAL C . 10070 1 576 . 1 1 54 54 VAL CA C 13 62.568 0.300 . 1 . . . . 54 VAL CA . 10070 1 577 . 1 1 54 54 VAL CB C 13 32.064 0.300 . 1 . . . . 54 VAL CB . 10070 1 578 . 1 1 54 54 VAL CG1 C 13 21.745 0.300 . 2 . . . . 54 VAL CG1 . 10070 1 579 . 1 1 54 54 VAL CG2 C 13 19.166 0.300 . 2 . . . . 54 VAL CG2 . 10070 1 580 . 1 1 54 54 VAL N N 15 119.924 0.300 . 1 . . . . 54 VAL N . 10070 1 581 . 1 1 55 55 THR H H 1 7.681 0.030 . 1 . . . . 55 THR H . 10070 1 582 . 1 1 55 55 THR HA H 1 4.440 0.030 . 1 . . . . 55 THR HA . 10070 1 583 . 1 1 55 55 THR HB H 1 4.525 0.030 . 1 . . . . 55 THR HB . 10070 1 584 . 1 1 55 55 THR HG21 H 1 1.189 0.030 . 1 . . . . 55 THR HG2 . 10070 1 585 . 1 1 55 55 THR HG22 H 1 1.189 0.030 . 1 . . . . 55 THR HG2 . 10070 1 586 . 1 1 55 55 THR HG23 H 1 1.189 0.030 . 1 . . . . 55 THR HG2 . 10070 1 587 . 1 1 55 55 THR C C 13 177.192 0.300 . 1 . . . . 55 THR C . 10070 1 588 . 1 1 55 55 THR CA C 13 62.092 0.300 . 1 . . . . 55 THR CA . 10070 1 589 . 1 1 55 55 THR CB C 13 70.374 0.300 . 1 . . . . 55 THR CB . 10070 1 590 . 1 1 55 55 THR CG2 C 13 21.776 0.300 . 1 . . . . 55 THR CG2 . 10070 1 591 . 1 1 55 55 THR N N 15 111.181 0.300 . 1 . . . . 55 THR N . 10070 1 592 . 1 1 56 56 GLY H H 1 8.681 0.030 . 1 . . . . 56 GLY H . 10070 1 593 . 1 1 56 56 GLY HA2 H 1 4.596 0.030 . 2 . . . . 56 GLY HA2 . 10070 1 594 . 1 1 56 56 GLY HA3 H 1 3.876 0.030 . 2 . . . . 56 GLY HA3 . 10070 1 595 . 1 1 56 56 GLY C C 13 172.780 0.300 . 1 . . . . 56 GLY C . 10070 1 596 . 1 1 56 56 GLY CA C 13 45.439 0.300 . 1 . . . . 56 GLY CA . 10070 1 597 . 1 1 56 56 GLY N N 15 111.622 0.300 . 1 . . . . 56 GLY N . 10070 1 598 . 1 1 57 57 GLU H H 1 7.693 0.030 . 1 . . . . 57 GLU H . 10070 1 599 . 1 1 57 57 GLU HA H 1 5.367 0.030 . 1 . . . . 57 GLU HA . 10070 1 600 . 1 1 57 57 GLU HB2 H 1 2.168 0.030 . 2 . . . . 57 GLU HB2 . 10070 1 601 . 1 1 57 57 GLU HB3 H 1 1.943 0.030 . 2 . . . . 57 GLU HB3 . 10070 1 602 . 1 1 57 57 GLU HG2 H 1 2.364 0.030 . 2 . . . . 57 GLU HG2 . 10070 1 603 . 1 1 57 57 GLU HG3 H 1 2.285 0.030 . 2 . . . . 57 GLU HG3 . 10070 1 604 . 1 1 57 57 GLU C C 13 176.418 0.300 . 1 . . . . 57 GLU C . 10070 1 605 . 1 1 57 57 GLU CA C 13 54.077 0.300 . 1 . . . . 57 GLU CA . 10070 1 606 . 1 1 57 57 GLU CB C 13 31.630 0.300 . 1 . . . . 57 GLU CB . 10070 1 607 . 1 1 57 57 GLU CG C 13 37.532 0.300 . 1 . . . . 57 GLU CG . 10070 1 608 . 1 1 57 57 GLU N N 15 117.199 0.300 . 1 . . . . 57 GLU N . 10070 1 609 . 1 1 58 58 ALA H H 1 8.246 0.030 . 1 . . . . 58 ALA H . 10070 1 610 . 1 1 58 58 ALA HA H 1 4.934 0.030 . 1 . . . . 58 ALA HA . 10070 1 611 . 1 1 58 58 ALA HB1 H 1 1.115 0.030 . 1 . . . . 58 ALA HB . 10070 1 612 . 1 1 58 58 ALA HB2 H 1 1.115 0.030 . 1 . . . . 58 ALA HB . 10070 1 613 . 1 1 58 58 ALA HB3 H 1 1.115 0.030 . 1 . . . . 58 ALA HB . 10070 1 614 . 1 1 58 58 ALA C C 13 174.458 0.300 . 1 . . . . 58 ALA C . 10070 1 615 . 1 1 58 58 ALA CA C 13 51.440 0.300 . 1 . . . . 58 ALA CA . 10070 1 616 . 1 1 58 58 ALA CB C 13 23.924 0.300 . 1 . . . . 58 ALA CB . 10070 1 617 . 1 1 58 58 ALA N N 15 120.269 0.300 . 1 . . . . 58 ALA N . 10070 1 618 . 1 1 59 59 ASP H H 1 8.842 0.030 . 1 . . . . 59 ASP H . 10070 1 619 . 1 1 59 59 ASP HA H 1 5.479 0.030 . 1 . . . . 59 ASP HA . 10070 1 620 . 1 1 59 59 ASP HB2 H 1 1.976 0.030 . 2 . . . . 59 ASP HB2 . 10070 1 621 . 1 1 59 59 ASP HB3 H 1 1.770 0.030 . 2 . . . . 59 ASP HB3 . 10070 1 622 . 1 1 59 59 ASP C C 13 173.804 0.300 . 1 . . . . 59 ASP C . 10070 1 623 . 1 1 59 59 ASP CA C 13 54.513 0.300 . 1 . . . . 59 ASP CA . 10070 1 624 . 1 1 59 59 ASP CB C 13 45.916 0.300 . 1 . . . . 59 ASP CB . 10070 1 625 . 1 1 59 59 ASP N N 15 118.137 0.300 . 1 . . . . 59 ASP N . 10070 1 626 . 1 1 60 60 VAL H H 1 8.893 0.030 . 1 . . . . 60 VAL H . 10070 1 627 . 1 1 60 60 VAL HA H 1 4.426 0.030 . 1 . . . . 60 VAL HA . 10070 1 628 . 1 1 60 60 VAL HB H 1 1.812 0.030 . 1 . . . . 60 VAL HB . 10070 1 629 . 1 1 60 60 VAL HG11 H 1 0.856 0.030 . 1 . . . . 60 VAL HG1 . 10070 1 630 . 1 1 60 60 VAL HG12 H 1 0.856 0.030 . 1 . . . . 60 VAL HG1 . 10070 1 631 . 1 1 60 60 VAL HG13 H 1 0.856 0.030 . 1 . . . . 60 VAL HG1 . 10070 1 632 . 1 1 60 60 VAL HG21 H 1 0.204 0.030 . 1 . . . . 60 VAL HG2 . 10070 1 633 . 1 1 60 60 VAL HG22 H 1 0.204 0.030 . 1 . . . . 60 VAL HG2 . 10070 1 634 . 1 1 60 60 VAL HG23 H 1 0.204 0.030 . 1 . . . . 60 VAL HG2 . 10070 1 635 . 1 1 60 60 VAL C C 13 173.369 0.300 . 1 . . . . 60 VAL C . 10070 1 636 . 1 1 60 60 VAL CA C 13 61.003 0.300 . 1 . . . . 60 VAL CA . 10070 1 637 . 1 1 60 60 VAL CB C 13 34.020 0.300 . 1 . . . . 60 VAL CB . 10070 1 638 . 1 1 60 60 VAL CG1 C 13 22.116 0.300 . 2 . . . . 60 VAL CG1 . 10070 1 639 . 1 1 60 60 VAL CG2 C 13 22.707 0.300 . 2 . . . . 60 VAL CG2 . 10070 1 640 . 1 1 60 60 VAL N N 15 121.407 0.300 . 1 . . . . 60 VAL N . 10070 1 641 . 1 1 61 61 GLU H H 1 8.523 0.030 . 1 . . . . 61 GLU H . 10070 1 642 . 1 1 61 61 GLU HA H 1 5.015 0.030 . 1 . . . . 61 GLU HA . 10070 1 643 . 1 1 61 61 GLU HB2 H 1 2.155 0.030 . 2 . . . . 61 GLU HB2 . 10070 1 644 . 1 1 61 61 GLU HB3 H 1 1.864 0.030 . 2 . . . . 61 GLU HB3 . 10070 1 645 . 1 1 61 61 GLU HG2 H 1 2.353 0.030 . 2 . . . . 61 GLU HG2 . 10070 1 646 . 1 1 61 61 GLU HG3 H 1 2.238 0.030 . 2 . . . . 61 GLU HG3 . 10070 1 647 . 1 1 61 61 GLU C C 13 174.958 0.300 . 1 . . . . 61 GLU C . 10070 1 648 . 1 1 61 61 GLU CA C 13 55.087 0.300 . 1 . . . . 61 GLU CA . 10070 1 649 . 1 1 61 61 GLU CB C 13 33.803 0.300 . 1 . . . . 61 GLU CB . 10070 1 650 . 1 1 61 61 GLU CG C 13 37.959 0.300 . 1 . . . . 61 GLU CG . 10070 1 651 . 1 1 61 61 GLU N N 15 126.365 0.300 . 1 . . . . 61 GLU N . 10070 1 652 . 1 1 62 62 PHE H H 1 9.338 0.030 . 1 . . . . 62 PHE H . 10070 1 653 . 1 1 62 62 PHE HA H 1 4.730 0.030 . 1 . . . . 62 PHE HA . 10070 1 654 . 1 1 62 62 PHE HB2 H 1 3.497 0.030 . 2 . . . . 62 PHE HB2 . 10070 1 655 . 1 1 62 62 PHE HB3 H 1 2.764 0.030 . 2 . . . . 62 PHE HB3 . 10070 1 656 . 1 1 62 62 PHE HD1 H 1 7.185 0.030 . 1 . . . . 62 PHE HD1 . 10070 1 657 . 1 1 62 62 PHE HD2 H 1 7.185 0.030 . 1 . . . . 62 PHE HD2 . 10070 1 658 . 1 1 62 62 PHE HE1 H 1 6.542 0.030 . 1 . . . . 62 PHE HE1 . 10070 1 659 . 1 1 62 62 PHE HE2 H 1 6.542 0.030 . 1 . . . . 62 PHE HE2 . 10070 1 660 . 1 1 62 62 PHE HZ H 1 5.557 0.030 . 1 . . . . 62 PHE HZ . 10070 1 661 . 1 1 62 62 PHE C C 13 174.885 0.300 . 1 . . . . 62 PHE C . 10070 1 662 . 1 1 62 62 PHE CA C 13 57.715 0.300 . 1 . . . . 62 PHE CA . 10070 1 663 . 1 1 62 62 PHE CB C 13 42.753 0.300 . 1 . . . . 62 PHE CB . 10070 1 664 . 1 1 62 62 PHE CD1 C 13 131.309 0.300 . 1 . . . . 62 PHE CD1 . 10070 1 665 . 1 1 62 62 PHE CD2 C 13 131.309 0.300 . 1 . . . . 62 PHE CD2 . 10070 1 666 . 1 1 62 62 PHE CE1 C 13 130.454 0.300 . 1 . . . . 62 PHE CE1 . 10070 1 667 . 1 1 62 62 PHE CE2 C 13 130.454 0.300 . 1 . . . . 62 PHE CE2 . 10070 1 668 . 1 1 62 62 PHE CZ C 13 129.214 0.300 . 1 . . . . 62 PHE CZ . 10070 1 669 . 1 1 62 62 PHE N N 15 123.205 0.300 . 1 . . . . 62 PHE N . 10070 1 670 . 1 1 63 63 ALA H H 1 10.146 0.030 . 1 . . . . 63 ALA H . 10070 1 671 . 1 1 63 63 ALA HA H 1 4.469 0.030 . 1 . . . . 63 ALA HA . 10070 1 672 . 1 1 63 63 ALA HB1 H 1 1.717 0.030 . 1 . . . . 63 ALA HB . 10070 1 673 . 1 1 63 63 ALA HB2 H 1 1.717 0.030 . 1 . . . . 63 ALA HB . 10070 1 674 . 1 1 63 63 ALA HB3 H 1 1.717 0.030 . 1 . . . . 63 ALA HB . 10070 1 675 . 1 1 63 63 ALA C C 13 178.249 0.300 . 1 . . . . 63 ALA C . 10070 1 676 . 1 1 63 63 ALA CA C 13 55.146 0.300 . 1 . . . . 63 ALA CA . 10070 1 677 . 1 1 63 63 ALA CB C 13 20.346 0.300 . 1 . . . . 63 ALA CB . 10070 1 678 . 1 1 63 63 ALA N N 15 122.584 0.300 . 1 . . . . 63 ALA N . 10070 1 679 . 1 1 64 64 THR H H 1 7.100 0.030 . 1 . . . . 64 THR H . 10070 1 680 . 1 1 64 64 THR HA H 1 4.456 0.030 . 1 . . . . 64 THR HA . 10070 1 681 . 1 1 64 64 THR HB H 1 4.505 0.030 . 1 . . . . 64 THR HB . 10070 1 682 . 1 1 64 64 THR HG21 H 1 1.208 0.030 . 1 . . . . 64 THR HG2 . 10070 1 683 . 1 1 64 64 THR HG22 H 1 1.208 0.030 . 1 . . . . 64 THR HG2 . 10070 1 684 . 1 1 64 64 THR HG23 H 1 1.208 0.030 . 1 . . . . 64 THR HG2 . 10070 1 685 . 1 1 64 64 THR C C 13 173.780 0.300 . 1 . . . . 64 THR C . 10070 1 686 . 1 1 64 64 THR CA C 13 58.277 0.300 . 1 . . . . 64 THR CA . 10070 1 687 . 1 1 64 64 THR CB C 13 73.163 0.300 . 1 . . . . 64 THR CB . 10070 1 688 . 1 1 64 64 THR CG2 C 13 21.776 0.300 . 1 . . . . 64 THR CG2 . 10070 1 689 . 1 1 64 64 THR N N 15 100.939 0.300 . 1 . . . . 64 THR N . 10070 1 690 . 1 1 65 65 HIS H H 1 8.433 0.030 . 1 . . . . 65 HIS H . 10070 1 691 . 1 1 65 65 HIS HA H 1 3.978 0.030 . 1 . . . . 65 HIS HA . 10070 1 692 . 1 1 65 65 HIS HB2 H 1 2.786 0.030 . 2 . . . . 65 HIS HB2 . 10070 1 693 . 1 1 65 65 HIS HB3 H 1 2.707 0.030 . 2 . . . . 65 HIS HB3 . 10070 1 694 . 1 1 65 65 HIS HD2 H 1 6.940 0.030 . 1 . . . . 65 HIS HD2 . 10070 1 695 . 1 1 65 65 HIS HE1 H 1 7.553 0.030 . 1 . . . . 65 HIS HE1 . 10070 1 696 . 1 1 65 65 HIS C C 13 176.120 0.300 . 1 . . . . 65 HIS C . 10070 1 697 . 1 1 65 65 HIS CA C 13 58.863 0.300 . 1 . . . . 65 HIS CA . 10070 1 698 . 1 1 65 65 HIS CB C 13 30.891 0.300 . 1 . . . . 65 HIS CB . 10070 1 699 . 1 1 65 65 HIS CD2 C 13 118.264 0.300 . 1 . . . . 65 HIS CD2 . 10070 1 700 . 1 1 65 65 HIS CE1 C 13 137.847 0.300 . 1 . . . . 65 HIS CE1 . 10070 1 701 . 1 1 65 65 HIS N N 15 120.184 0.300 . 1 . . . . 65 HIS N . 10070 1 702 . 1 1 66 66 GLU H H 1 8.723 0.030 . 1 . . . . 66 GLU H . 10070 1 703 . 1 1 66 66 GLU HA H 1 3.549 0.030 . 1 . . . . 66 GLU HA . 10070 1 704 . 1 1 66 66 GLU HB2 H 1 1.976 0.030 . 2 . . . . 66 GLU HB2 . 10070 1 705 . 1 1 66 66 GLU HB3 H 1 1.838 0.030 . 2 . . . . 66 GLU HB3 . 10070 1 706 . 1 1 66 66 GLU HG2 H 1 2.487 0.030 . 2 . . . . 66 GLU HG2 . 10070 1 707 . 1 1 66 66 GLU HG3 H 1 2.201 0.030 . 2 . . . . 66 GLU HG3 . 10070 1 708 . 1 1 66 66 GLU C C 13 179.379 0.300 . 1 . . . . 66 GLU C . 10070 1 709 . 1 1 66 66 GLU CA C 13 60.857 0.300 . 1 . . . . 66 GLU CA . 10070 1 710 . 1 1 66 66 GLU CB C 13 28.358 0.300 . 1 . . . . 66 GLU CB . 10070 1 711 . 1 1 66 66 GLU CG C 13 37.727 0.300 . 1 . . . . 66 GLU CG . 10070 1 712 . 1 1 66 66 GLU N N 15 115.870 0.300 . 1 . . . . 66 GLU N . 10070 1 713 . 1 1 67 67 ASP H H 1 7.778 0.030 . 1 . . . . 67 ASP H . 10070 1 714 . 1 1 67 67 ASP HA H 1 4.096 0.030 . 1 . . . . 67 ASP HA . 10070 1 715 . 1 1 67 67 ASP HB2 H 1 2.701 0.030 . 2 . . . . 67 ASP HB2 . 10070 1 716 . 1 1 67 67 ASP HB3 H 1 2.366 0.030 . 2 . . . . 67 ASP HB3 . 10070 1 717 . 1 1 67 67 ASP C C 13 175.837 0.300 . 1 . . . . 67 ASP C . 10070 1 718 . 1 1 67 67 ASP CA C 13 56.892 0.300 . 1 . . . . 67 ASP CA . 10070 1 719 . 1 1 67 67 ASP CB C 13 40.420 0.300 . 1 . . . . 67 ASP CB . 10070 1 720 . 1 1 67 67 ASP N N 15 120.933 0.300 . 1 . . . . 67 ASP N . 10070 1 721 . 1 1 68 68 ALA H H 1 6.813 0.030 . 1 . . . . 68 ALA H . 10070 1 722 . 1 1 68 68 ALA HA H 1 2.932 0.030 . 1 . . . . 68 ALA HA . 10070 1 723 . 1 1 68 68 ALA HB1 H 1 1.139 0.030 . 1 . . . . 68 ALA HB . 10070 1 724 . 1 1 68 68 ALA HB2 H 1 1.139 0.030 . 1 . . . . 68 ALA HB . 10070 1 725 . 1 1 68 68 ALA HB3 H 1 1.139 0.030 . 1 . . . . 68 ALA HB . 10070 1 726 . 1 1 68 68 ALA C C 13 177.555 0.300 . 1 . . . . 68 ALA C . 10070 1 727 . 1 1 68 68 ALA CA C 13 54.834 0.300 . 1 . . . . 68 ALA CA . 10070 1 728 . 1 1 68 68 ALA CB C 13 17.151 0.300 . 1 . . . . 68 ALA CB . 10070 1 729 . 1 1 68 68 ALA N N 15 121.776 0.300 . 1 . . . . 68 ALA N . 10070 1 730 . 1 1 69 69 VAL H H 1 8.008 0.030 . 1 . . . . 69 VAL H . 10070 1 731 . 1 1 69 69 VAL HA H 1 3.190 0.030 . 1 . . . . 69 VAL HA . 10070 1 732 . 1 1 69 69 VAL HB H 1 1.628 0.030 . 1 . . . . 69 VAL HB . 10070 1 733 . 1 1 69 69 VAL HG11 H 1 0.369 0.030 . 1 . . . . 69 VAL HG1 . 10070 1 734 . 1 1 69 69 VAL HG12 H 1 0.369 0.030 . 1 . . . . 69 VAL HG1 . 10070 1 735 . 1 1 69 69 VAL HG13 H 1 0.369 0.030 . 1 . . . . 69 VAL HG1 . 10070 1 736 . 1 1 69 69 VAL HG21 H 1 0.730 0.030 . 1 . . . . 69 VAL HG2 . 10070 1 737 . 1 1 69 69 VAL HG22 H 1 0.730 0.030 . 1 . . . . 69 VAL HG2 . 10070 1 738 . 1 1 69 69 VAL HG23 H 1 0.730 0.030 . 1 . . . . 69 VAL HG2 . 10070 1 739 . 1 1 69 69 VAL C C 13 180.121 0.300 . 1 . . . . 69 VAL C . 10070 1 740 . 1 1 69 69 VAL CA C 13 66.513 0.300 . 1 . . . . 69 VAL CA . 10070 1 741 . 1 1 69 69 VAL CB C 13 31.760 0.300 . 1 . . . . 69 VAL CB . 10070 1 742 . 1 1 69 69 VAL CG1 C 13 22.706 0.300 . 2 . . . . 69 VAL CG1 . 10070 1 743 . 1 1 69 69 VAL CG2 C 13 21.141 0.300 . 2 . . . . 69 VAL CG2 . 10070 1 744 . 1 1 69 69 VAL N N 15 115.071 0.300 . 1 . . . . 69 VAL N . 10070 1 745 . 1 1 70 70 ALA H H 1 7.883 0.030 . 1 . . . . 70 ALA H . 10070 1 746 . 1 1 70 70 ALA HA H 1 3.967 0.030 . 1 . . . . 70 ALA HA . 10070 1 747 . 1 1 70 70 ALA HB1 H 1 1.408 0.030 . 1 . . . . 70 ALA HB . 10070 1 748 . 1 1 70 70 ALA HB2 H 1 1.408 0.030 . 1 . . . . 70 ALA HB . 10070 1 749 . 1 1 70 70 ALA HB3 H 1 1.408 0.030 . 1 . . . . 70 ALA HB . 10070 1 750 . 1 1 70 70 ALA C C 13 181.161 0.300 . 1 . . . . 70 ALA C . 10070 1 751 . 1 1 70 70 ALA CA C 13 54.815 0.300 . 1 . . . . 70 ALA CA . 10070 1 752 . 1 1 70 70 ALA CB C 13 17.845 0.300 . 1 . . . . 70 ALA CB . 10070 1 753 . 1 1 70 70 ALA N N 15 123.838 0.300 . 1 . . . . 70 ALA N . 10070 1 754 . 1 1 71 71 ALA H H 1 7.799 0.030 . 1 . . . . 71 ALA H . 10070 1 755 . 1 1 71 71 ALA HA H 1 3.723 0.030 . 1 . . . . 71 ALA HA . 10070 1 756 . 1 1 71 71 ALA HB1 H 1 0.990 0.030 . 1 . . . . 71 ALA HB . 10070 1 757 . 1 1 71 71 ALA HB2 H 1 0.990 0.030 . 1 . . . . 71 ALA HB . 10070 1 758 . 1 1 71 71 ALA HB3 H 1 0.990 0.030 . 1 . . . . 71 ALA HB . 10070 1 759 . 1 1 71 71 ALA C C 13 178.265 0.300 . 1 . . . . 71 ALA C . 10070 1 760 . 1 1 71 71 ALA CA C 13 54.687 0.300 . 1 . . . . 71 ALA CA . 10070 1 761 . 1 1 71 71 ALA CB C 13 19.157 0.300 . 1 . . . . 71 ALA CB . 10070 1 762 . 1 1 71 71 ALA N N 15 123.465 0.300 . 1 . . . . 71 ALA N . 10070 1 763 . 1 1 72 72 MET H H 1 7.175 0.030 . 1 . . . . 72 MET H . 10070 1 764 . 1 1 72 72 MET HA H 1 4.538 0.030 . 1 . . . . 72 MET HA . 10070 1 765 . 1 1 72 72 MET HB2 H 1 2.396 0.030 . 2 . . . . 72 MET HB2 . 10070 1 766 . 1 1 72 72 MET HB3 H 1 2.110 0.030 . 2 . . . . 72 MET HB3 . 10070 1 767 . 1 1 72 72 MET HG2 H 1 2.889 0.030 . 2 . . . . 72 MET HG2 . 10070 1 768 . 1 1 72 72 MET HG3 H 1 2.721 0.030 . 2 . . . . 72 MET HG3 . 10070 1 769 . 1 1 72 72 MET HE1 H 1 1.821 0.030 . 1 . . . . 72 MET HE . 10070 1 770 . 1 1 72 72 MET HE2 H 1 1.821 0.030 . 1 . . . . 72 MET HE . 10070 1 771 . 1 1 72 72 MET HE3 H 1 1.821 0.030 . 1 . . . . 72 MET HE . 10070 1 772 . 1 1 72 72 MET C C 13 179.467 0.300 . 1 . . . . 72 MET C . 10070 1 773 . 1 1 72 72 MET CA C 13 54.685 0.300 . 1 . . . . 72 MET CA . 10070 1 774 . 1 1 72 72 MET CB C 13 28.141 0.300 . 1 . . . . 72 MET CB . 10070 1 775 . 1 1 72 72 MET CG C 13 32.082 0.300 . 1 . . . . 72 MET CG . 10070 1 776 . 1 1 72 72 MET CE C 13 15.026 0.300 . 1 . . . . 72 MET CE . 10070 1 777 . 1 1 72 72 MET N N 15 112.277 0.300 . 1 . . . . 72 MET N . 10070 1 778 . 1 1 73 73 ALA H H 1 7.699 0.030 . 1 . . . . 73 ALA H . 10070 1 779 . 1 1 73 73 ALA HA H 1 4.276 0.030 . 1 . . . . 73 ALA HA . 10070 1 780 . 1 1 73 73 ALA HB1 H 1 1.509 0.030 . 1 . . . . 73 ALA HB . 10070 1 781 . 1 1 73 73 ALA HB2 H 1 1.509 0.030 . 1 . . . . 73 ALA HB . 10070 1 782 . 1 1 73 73 ALA HB3 H 1 1.509 0.030 . 1 . . . . 73 ALA HB . 10070 1 783 . 1 1 73 73 ALA C C 13 178.991 0.300 . 1 . . . . 73 ALA C . 10070 1 784 . 1 1 73 73 ALA CA C 13 54.123 0.300 . 1 . . . . 73 ALA CA . 10070 1 785 . 1 1 73 73 ALA CB C 13 18.499 0.300 . 1 . . . . 73 ALA CB . 10070 1 786 . 1 1 73 73 ALA N N 15 123.465 0.300 . 1 . . . . 73 ALA N . 10070 1 787 . 1 1 74 74 LYS H H 1 7.835 0.030 . 1 . . . . 74 LYS H . 10070 1 788 . 1 1 74 74 LYS HA H 1 4.128 0.030 . 1 . . . . 74 LYS HA . 10070 1 789 . 1 1 74 74 LYS HB2 H 1 1.835 0.030 . 1 . . . . 74 LYS HB2 . 10070 1 790 . 1 1 74 74 LYS HB3 H 1 1.835 0.030 . 1 . . . . 74 LYS HB3 . 10070 1 791 . 1 1 74 74 LYS HG2 H 1 1.255 0.030 . 2 . . . . 74 LYS HG2 . 10070 1 792 . 1 1 74 74 LYS HG3 H 1 1.191 0.030 . 2 . . . . 74 LYS HG3 . 10070 1 793 . 1 1 74 74 LYS HD2 H 1 1.197 0.030 . 2 . . . . 74 LYS HD2 . 10070 1 794 . 1 1 74 74 LYS HD3 H 1 1.093 0.030 . 2 . . . . 74 LYS HD3 . 10070 1 795 . 1 1 74 74 LYS HE2 H 1 2.651 0.030 . 2 . . . . 74 LYS HE2 . 10070 1 796 . 1 1 74 74 LYS HE3 H 1 2.462 0.030 . 2 . . . . 74 LYS HE3 . 10070 1 797 . 1 1 74 74 LYS C C 13 174.595 0.300 . 1 . . . . 74 LYS C . 10070 1 798 . 1 1 74 74 LYS CA C 13 54.822 0.300 . 1 . . . . 74 LYS CA . 10070 1 799 . 1 1 74 74 LYS CB C 13 30.961 0.300 . 1 . . . . 74 LYS CB . 10070 1 800 . 1 1 74 74 LYS CG C 13 24.676 0.300 . 1 . . . . 74 LYS CG . 10070 1 801 . 1 1 74 74 LYS CD C 13 27.394 0.300 . 1 . . . . 74 LYS CD . 10070 1 802 . 1 1 74 74 LYS CE C 13 41.981 0.300 . 1 . . . . 74 LYS CE . 10070 1 803 . 1 1 74 74 LYS N N 15 116.074 0.300 . 1 . . . . 74 LYS N . 10070 1 804 . 1 1 75 75 ASP H H 1 7.450 0.030 . 1 . . . . 75 ASP H . 10070 1 805 . 1 1 75 75 ASP HA H 1 4.335 0.030 . 1 . . . . 75 ASP HA . 10070 1 806 . 1 1 75 75 ASP HB2 H 1 2.786 0.030 . 2 . . . . 75 ASP HB2 . 10070 1 807 . 1 1 75 75 ASP HB3 H 1 2.627 0.030 . 2 . . . . 75 ASP HB3 . 10070 1 808 . 1 1 75 75 ASP C C 13 177.160 0.300 . 1 . . . . 75 ASP C . 10070 1 809 . 1 1 75 75 ASP CA C 13 56.865 0.300 . 1 . . . . 75 ASP CA . 10070 1 810 . 1 1 75 75 ASP CB C 13 41.342 0.300 . 1 . . . . 75 ASP CB . 10070 1 811 . 1 1 75 75 ASP N N 15 119.199 0.300 . 1 . . . . 75 ASP N . 10070 1 812 . 1 1 76 76 LYS H H 1 8.654 0.030 . 1 . . . . 76 LYS H . 10070 1 813 . 1 1 76 76 LYS HA H 1 3.903 0.030 . 1 . . . . 76 LYS HA . 10070 1 814 . 1 1 76 76 LYS HB2 H 1 2.084 0.030 . 2 . . . . 76 LYS HB2 . 10070 1 815 . 1 1 76 76 LYS HB3 H 1 1.958 0.030 . 2 . . . . 76 LYS HB3 . 10070 1 816 . 1 1 76 76 LYS HG2 H 1 1.415 0.030 . 2 . . . . 76 LYS HG2 . 10070 1 817 . 1 1 76 76 LYS HG3 H 1 1.238 0.030 . 2 . . . . 76 LYS HG3 . 10070 1 818 . 1 1 76 76 LYS HD2 H 1 1.701 0.030 . 2 . . . . 76 LYS HD2 . 10070 1 819 . 1 1 76 76 LYS HD3 H 1 1.530 0.030 . 2 . . . . 76 LYS HD3 . 10070 1 820 . 1 1 76 76 LYS HE2 H 1 3.003 0.030 . 1 . . . . 76 LYS HE2 . 10070 1 821 . 1 1 76 76 LYS HE3 H 1 3.003 0.030 . 1 . . . . 76 LYS HE3 . 10070 1 822 . 1 1 76 76 LYS C C 13 175.305 0.300 . 1 . . . . 76 LYS C . 10070 1 823 . 1 1 76 76 LYS CA C 13 58.249 0.300 . 1 . . . . 76 LYS CA . 10070 1 824 . 1 1 76 76 LYS CB C 13 29.325 0.300 . 1 . . . . 76 LYS CB . 10070 1 825 . 1 1 76 76 LYS CG C 13 25.566 0.300 . 1 . . . . 76 LYS CG . 10070 1 826 . 1 1 76 76 LYS CD C 13 28.828 0.300 . 1 . . . . 76 LYS CD . 10070 1 827 . 1 1 76 76 LYS CE C 13 42.367 0.300 . 1 . . . . 76 LYS CE . 10070 1 828 . 1 1 76 76 LYS N N 15 122.139 0.300 . 1 . . . . 76 LYS N . 10070 1 829 . 1 1 77 77 ALA H H 1 8.017 0.030 . 1 . . . . 77 ALA H . 10070 1 830 . 1 1 77 77 ALA HA H 1 4.521 0.030 . 1 . . . . 77 ALA HA . 10070 1 831 . 1 1 77 77 ALA HB1 H 1 1.498 0.030 . 1 . . . . 77 ALA HB . 10070 1 832 . 1 1 77 77 ALA HB2 H 1 1.498 0.030 . 1 . . . . 77 ALA HB . 10070 1 833 . 1 1 77 77 ALA HB3 H 1 1.498 0.030 . 1 . . . . 77 ALA HB . 10070 1 834 . 1 1 77 77 ALA C C 13 176.297 0.300 . 1 . . . . 77 ALA C . 10070 1 835 . 1 1 77 77 ALA CA C 13 51.873 0.300 . 1 . . . . 77 ALA CA . 10070 1 836 . 1 1 77 77 ALA CB C 13 19.714 0.300 . 1 . . . . 77 ALA CB . 10070 1 837 . 1 1 77 77 ALA N N 15 121.024 0.300 . 1 . . . . 77 ALA N . 10070 1 838 . 1 1 78 78 ASN H H 1 8.211 0.030 . 1 . . . . 78 ASN H . 10070 1 839 . 1 1 78 78 ASN HA H 1 4.915 0.030 . 1 . . . . 78 ASN HA . 10070 1 840 . 1 1 78 78 ASN HB2 H 1 2.484 0.030 . 1 . . . . 78 ASN HB2 . 10070 1 841 . 1 1 78 78 ASN HB3 H 1 2.484 0.030 . 1 . . . . 78 ASN HB3 . 10070 1 842 . 1 1 78 78 ASN HD21 H 1 6.544 0.030 . 2 . . . . 78 ASN HD21 . 10070 1 843 . 1 1 78 78 ASN HD22 H 1 6.942 0.030 . 2 . . . . 78 ASN HD22 . 10070 1 844 . 1 1 78 78 ASN C C 13 175.619 0.300 . 1 . . . . 78 ASN C . 10070 1 845 . 1 1 78 78 ASN CA C 13 53.251 0.300 . 1 . . . . 78 ASN CA . 10070 1 846 . 1 1 78 78 ASN CB C 13 40.464 0.300 . 1 . . . . 78 ASN CB . 10070 1 847 . 1 1 78 78 ASN N N 15 115.167 0.300 . 1 . . . . 78 ASN N . 10070 1 848 . 1 1 78 78 ASN ND2 N 15 111.392 0.300 . 1 . . . . 78 ASN ND2 . 10070 1 849 . 1 1 79 79 MET H H 1 8.887 0.030 . 1 . . . . 79 MET H . 10070 1 850 . 1 1 79 79 MET HA H 1 4.308 0.030 . 1 . . . . 79 MET HA . 10070 1 851 . 1 1 79 79 MET HB2 H 1 1.605 0.030 . 2 . . . . 79 MET HB2 . 10070 1 852 . 1 1 79 79 MET HB3 H 1 1.483 0.030 . 2 . . . . 79 MET HB3 . 10070 1 853 . 1 1 79 79 MET HG2 H 1 2.390 0.030 . 2 . . . . 79 MET HG2 . 10070 1 854 . 1 1 79 79 MET HG3 H 1 1.885 0.030 . 2 . . . . 79 MET HG3 . 10070 1 855 . 1 1 79 79 MET HE1 H 1 1.408 0.030 . 1 . . . . 79 MET HE . 10070 1 856 . 1 1 79 79 MET HE2 H 1 1.408 0.030 . 1 . . . . 79 MET HE . 10070 1 857 . 1 1 79 79 MET HE3 H 1 1.408 0.030 . 1 . . . . 79 MET HE . 10070 1 858 . 1 1 79 79 MET C C 13 174.466 0.300 . 1 . . . . 79 MET C . 10070 1 859 . 1 1 79 79 MET CA C 13 55.810 0.300 . 1 . . . . 79 MET CA . 10070 1 860 . 1 1 79 79 MET CB C 13 35.455 0.300 . 1 . . . . 79 MET CB . 10070 1 861 . 1 1 79 79 MET CG C 13 31.927 0.300 . 1 . . . . 79 MET CG . 10070 1 862 . 1 1 79 79 MET CE C 13 16.642 0.300 . 1 . . . . 79 MET CE . 10070 1 863 . 1 1 79 79 MET N N 15 124.510 0.300 . 1 . . . . 79 MET N . 10070 1 864 . 1 1 80 80 GLN H H 1 9.017 0.030 . 1 . . . . 80 GLN H . 10070 1 865 . 1 1 80 80 GLN HA H 1 3.615 0.030 . 1 . . . . 80 GLN HA . 10070 1 866 . 1 1 80 80 GLN HB2 H 1 2.168 0.030 . 2 . . . . 80 GLN HB2 . 10070 1 867 . 1 1 80 80 GLN HB3 H 1 1.979 0.030 . 2 . . . . 80 GLN HB3 . 10070 1 868 . 1 1 80 80 GLN HG2 H 1 2.316 0.030 . 2 . . . . 80 GLN HG2 . 10070 1 869 . 1 1 80 80 GLN HG3 H 1 2.224 0.030 . 2 . . . . 80 GLN HG3 . 10070 1 870 . 1 1 80 80 GLN HE21 H 1 6.368 0.030 . 2 . . . . 80 GLN HE21 . 10070 1 871 . 1 1 80 80 GLN HE22 H 1 7.402 0.030 . 2 . . . . 80 GLN HE22 . 10070 1 872 . 1 1 80 80 GLN C C 13 174.910 0.300 . 1 . . . . 80 GLN C . 10070 1 873 . 1 1 80 80 GLN CA C 13 57.461 0.300 . 1 . . . . 80 GLN CA . 10070 1 874 . 1 1 80 80 GLN CB C 13 26.253 0.300 . 1 . . . . 80 GLN CB . 10070 1 875 . 1 1 80 80 GLN CG C 13 33.667 0.300 . 1 . . . . 80 GLN CG . 10070 1 876 . 1 1 80 80 GLN N N 15 122.758 0.300 . 1 . . . . 80 GLN N . 10070 1 877 . 1 1 80 80 GLN NE2 N 15 109.718 0.300 . 1 . . . . 80 GLN NE2 . 10070 1 878 . 1 1 81 81 HIS H H 1 8.199 0.030 . 1 . . . . 81 HIS H . 10070 1 879 . 1 1 81 81 HIS HA H 1 4.300 0.030 . 1 . . . . 81 HIS HA . 10070 1 880 . 1 1 81 81 HIS HB2 H 1 3.400 0.030 . 2 . . . . 81 HIS HB2 . 10070 1 881 . 1 1 81 81 HIS HB3 H 1 3.190 0.030 . 2 . . . . 81 HIS HB3 . 10070 1 882 . 1 1 81 81 HIS HD2 H 1 6.952 0.030 . 1 . . . . 81 HIS HD2 . 10070 1 883 . 1 1 81 81 HIS HE1 H 1 7.891 0.030 . 1 . . . . 81 HIS HE1 . 10070 1 884 . 1 1 81 81 HIS C C 13 174.539 0.300 . 1 . . . . 81 HIS C . 10070 1 885 . 1 1 81 81 HIS CA C 13 57.455 0.300 . 1 . . . . 81 HIS CA . 10070 1 886 . 1 1 81 81 HIS CB C 13 28.867 0.300 . 1 . . . . 81 HIS CB . 10070 1 887 . 1 1 81 81 HIS CD2 C 13 119.409 0.300 . 1 . . . . 81 HIS CD2 . 10070 1 888 . 1 1 81 81 HIS CE1 C 13 138.370 0.300 . 1 . . . . 81 HIS CE1 . 10070 1 889 . 1 1 81 81 HIS N N 15 113.400 0.300 . 1 . . . . 81 HIS N . 10070 1 890 . 1 1 82 82 ARG H H 1 7.667 0.030 . 1 . . . . 82 ARG H . 10070 1 891 . 1 1 82 82 ARG HA H 1 4.465 0.030 . 1 . . . . 82 ARG HA . 10070 1 892 . 1 1 82 82 ARG HB2 H 1 1.941 0.030 . 2 . . . . 82 ARG HB2 . 10070 1 893 . 1 1 82 82 ARG HB3 H 1 1.689 0.030 . 2 . . . . 82 ARG HB3 . 10070 1 894 . 1 1 82 82 ARG HG2 H 1 1.349 0.030 . 2 . . . . 82 ARG HG2 . 10070 1 895 . 1 1 82 82 ARG HG3 H 1 1.314 0.030 . 2 . . . . 82 ARG HG3 . 10070 1 896 . 1 1 82 82 ARG HD2 H 1 3.103 0.030 . 2 . . . . 82 ARG HD2 . 10070 1 897 . 1 1 82 82 ARG HD3 H 1 3.073 0.030 . 2 . . . . 82 ARG HD3 . 10070 1 898 . 1 1 82 82 ARG C C 13 174.659 0.300 . 1 . . . . 82 ARG C . 10070 1 899 . 1 1 82 82 ARG CA C 13 53.640 0.300 . 1 . . . . 82 ARG CA . 10070 1 900 . 1 1 82 82 ARG CB C 13 31.603 0.300 . 1 . . . . 82 ARG CB . 10070 1 901 . 1 1 82 82 ARG CG C 13 26.214 0.300 . 1 . . . . 82 ARG CG . 10070 1 902 . 1 1 82 82 ARG CD C 13 42.232 0.300 . 1 . . . . 82 ARG CD . 10070 1 903 . 1 1 82 82 ARG N N 15 120.008 0.300 . 1 . . . . 82 ARG N . 10070 1 904 . 1 1 83 83 TYR H H 1 8.283 0.030 . 1 . . . . 83 TYR H . 10070 1 905 . 1 1 83 83 TYR HA H 1 4.740 0.030 . 1 . . . . 83 TYR HA . 10070 1 906 . 1 1 83 83 TYR HB2 H 1 2.790 0.030 . 2 . . . . 83 TYR HB2 . 10070 1 907 . 1 1 83 83 TYR HB3 H 1 2.731 0.030 . 2 . . . . 83 TYR HB3 . 10070 1 908 . 1 1 83 83 TYR HD1 H 1 7.156 0.030 . 1 . . . . 83 TYR HD1 . 10070 1 909 . 1 1 83 83 TYR HD2 H 1 7.156 0.030 . 1 . . . . 83 TYR HD2 . 10070 1 910 . 1 1 83 83 TYR HE1 H 1 6.824 0.030 . 1 . . . . 83 TYR HE1 . 10070 1 911 . 1 1 83 83 TYR HE2 H 1 6.824 0.030 . 1 . . . . 83 TYR HE2 . 10070 1 912 . 1 1 83 83 TYR C C 13 175.555 0.300 . 1 . . . . 83 TYR C . 10070 1 913 . 1 1 83 83 TYR CA C 13 57.427 0.300 . 1 . . . . 83 TYR CA . 10070 1 914 . 1 1 83 83 TYR CB C 13 38.151 0.300 . 1 . . . . 83 TYR CB . 10070 1 915 . 1 1 83 83 TYR CD1 C 13 133.494 0.300 . 1 . . . . 83 TYR CD1 . 10070 1 916 . 1 1 83 83 TYR CD2 C 13 133.494 0.300 . 1 . . . . 83 TYR CD2 . 10070 1 917 . 1 1 83 83 TYR CE1 C 13 118.393 0.300 . 1 . . . . 83 TYR CE1 . 10070 1 918 . 1 1 83 83 TYR CE2 C 13 118.393 0.300 . 1 . . . . 83 TYR CE2 . 10070 1 919 . 1 1 83 83 TYR N N 15 121.082 0.300 . 1 . . . . 83 TYR N . 10070 1 920 . 1 1 84 84 VAL H H 1 8.073 0.030 . 1 . . . . 84 VAL H . 10070 1 921 . 1 1 84 84 VAL HA H 1 4.234 0.030 . 1 . . . . 84 VAL HA . 10070 1 922 . 1 1 84 84 VAL HB H 1 1.880 0.030 . 1 . . . . 84 VAL HB . 10070 1 923 . 1 1 84 84 VAL HG11 H 1 0.582 0.030 . 1 . . . . 84 VAL HG1 . 10070 1 924 . 1 1 84 84 VAL HG12 H 1 0.582 0.030 . 1 . . . . 84 VAL HG1 . 10070 1 925 . 1 1 84 84 VAL HG13 H 1 0.582 0.030 . 1 . . . . 84 VAL HG1 . 10070 1 926 . 1 1 84 84 VAL HG21 H 1 0.605 0.030 . 1 . . . . 84 VAL HG2 . 10070 1 927 . 1 1 84 84 VAL HG22 H 1 0.605 0.030 . 1 . . . . 84 VAL HG2 . 10070 1 928 . 1 1 84 84 VAL HG23 H 1 0.605 0.030 . 1 . . . . 84 VAL HG2 . 10070 1 929 . 1 1 84 84 VAL C C 13 174.595 0.300 . 1 . . . . 84 VAL C . 10070 1 930 . 1 1 84 84 VAL CA C 13 61.955 0.300 . 1 . . . . 84 VAL CA . 10070 1 931 . 1 1 84 84 VAL CB C 13 33.194 0.300 . 1 . . . . 84 VAL CB . 10070 1 932 . 1 1 84 84 VAL CG1 C 13 22.094 0.300 . 2 . . . . 84 VAL CG1 . 10070 1 933 . 1 1 84 84 VAL CG2 C 13 21.201 0.300 . 2 . . . . 84 VAL CG2 . 10070 1 934 . 1 1 84 84 VAL N N 15 122.514 0.300 . 1 . . . . 84 VAL N . 10070 1 935 . 1 1 85 85 GLU H H 1 8.331 0.030 . 1 . . . . 85 GLU H . 10070 1 936 . 1 1 85 85 GLU HA H 1 4.693 0.030 . 1 . . . . 85 GLU HA . 10070 1 937 . 1 1 85 85 GLU HB2 H 1 2.093 0.030 . 2 . . . . 85 GLU HB2 . 10070 1 938 . 1 1 85 85 GLU HB3 H 1 1.949 0.030 . 2 . . . . 85 GLU HB3 . 10070 1 939 . 1 1 85 85 GLU HG2 H 1 2.301 0.030 . 2 . . . . 85 GLU HG2 . 10070 1 940 . 1 1 85 85 GLU HG3 H 1 2.101 0.030 . 2 . . . . 85 GLU HG3 . 10070 1 941 . 1 1 85 85 GLU C C 13 174.877 0.300 . 1 . . . . 85 GLU C . 10070 1 942 . 1 1 85 85 GLU CA C 13 54.933 0.300 . 1 . . . . 85 GLU CA . 10070 1 943 . 1 1 85 85 GLU CB C 13 33.281 0.300 . 1 . . . . 85 GLU CB . 10070 1 944 . 1 1 85 85 GLU CG C 13 37.307 0.300 . 1 . . . . 85 GLU CG . 10070 1 945 . 1 1 85 85 GLU N N 15 122.983 0.300 . 1 . . . . 85 GLU N . 10070 1 946 . 1 1 86 86 LEU H H 1 8.468 0.030 . 1 . . . . 86 LEU H . 10070 1 947 . 1 1 86 86 LEU HA H 1 5.473 0.030 . 1 . . . . 86 LEU HA . 10070 1 948 . 1 1 86 86 LEU HB2 H 1 1.589 0.030 . 2 . . . . 86 LEU HB2 . 10070 1 949 . 1 1 86 86 LEU HB3 H 1 1.495 0.030 . 2 . . . . 86 LEU HB3 . 10070 1 950 . 1 1 86 86 LEU HG H 1 1.804 0.030 . 1 . . . . 86 LEU HG . 10070 1 951 . 1 1 86 86 LEU HD11 H 1 1.078 0.030 . 1 . . . . 86 LEU HD1 . 10070 1 952 . 1 1 86 86 LEU HD12 H 1 1.078 0.030 . 1 . . . . 86 LEU HD1 . 10070 1 953 . 1 1 86 86 LEU HD13 H 1 1.078 0.030 . 1 . . . . 86 LEU HD1 . 10070 1 954 . 1 1 86 86 LEU HD21 H 1 1.039 0.030 . 1 . . . . 86 LEU HD2 . 10070 1 955 . 1 1 86 86 LEU HD22 H 1 1.039 0.030 . 1 . . . . 86 LEU HD2 . 10070 1 956 . 1 1 86 86 LEU HD23 H 1 1.039 0.030 . 1 . . . . 86 LEU HD2 . 10070 1 957 . 1 1 86 86 LEU C C 13 176.200 0.300 . 1 . . . . 86 LEU C . 10070 1 958 . 1 1 86 86 LEU CA C 13 52.969 0.300 . 1 . . . . 86 LEU CA . 10070 1 959 . 1 1 86 86 LEU CB C 13 45.356 0.300 . 1 . . . . 86 LEU CB . 10070 1 960 . 1 1 86 86 LEU CG C 13 28.929 0.300 . 1 . . . . 86 LEU CG . 10070 1 961 . 1 1 86 86 LEU CD1 C 13 27.457 0.300 . 2 . . . . 86 LEU CD1 . 10070 1 962 . 1 1 86 86 LEU CD2 C 13 26.617 0.300 . 2 . . . . 86 LEU CD2 . 10070 1 963 . 1 1 86 86 LEU N N 15 121.768 0.300 . 1 . . . . 86 LEU N . 10070 1 964 . 1 1 87 87 PHE H H 1 8.842 0.030 . 1 . . . . 87 PHE H . 10070 1 965 . 1 1 87 87 PHE HA H 1 4.667 0.030 . 1 . . . . 87 PHE HA . 10070 1 966 . 1 1 87 87 PHE HB2 H 1 3.198 0.030 . 2 . . . . 87 PHE HB2 . 10070 1 967 . 1 1 87 87 PHE HB3 H 1 2.895 0.030 . 2 . . . . 87 PHE HB3 . 10070 1 968 . 1 1 87 87 PHE HD1 H 1 7.255 0.030 . 1 . . . . 87 PHE HD1 . 10070 1 969 . 1 1 87 87 PHE HD2 H 1 7.255 0.030 . 1 . . . . 87 PHE HD2 . 10070 1 970 . 1 1 87 87 PHE HE1 H 1 7.239 0.030 . 1 . . . . 87 PHE HE1 . 10070 1 971 . 1 1 87 87 PHE HE2 H 1 7.239 0.030 . 1 . . . . 87 PHE HE2 . 10070 1 972 . 1 1 87 87 PHE HZ H 1 7.267 0.030 . 1 . . . . 87 PHE HZ . 10070 1 973 . 1 1 87 87 PHE C C 13 174.240 0.300 . 1 . . . . 87 PHE C . 10070 1 974 . 1 1 87 87 PHE CA C 13 56.827 0.300 . 1 . . . . 87 PHE CA . 10070 1 975 . 1 1 87 87 PHE CB C 13 42.368 0.300 . 1 . . . . 87 PHE CB . 10070 1 976 . 1 1 87 87 PHE CD1 C 13 132.168 0.300 . 1 . . . . 87 PHE CD1 . 10070 1 977 . 1 1 87 87 PHE CD2 C 13 132.168 0.300 . 1 . . . . 87 PHE CD2 . 10070 1 978 . 1 1 87 87 PHE CE1 C 13 131.072 0.300 . 1 . . . . 87 PHE CE1 . 10070 1 979 . 1 1 87 87 PHE CE2 C 13 131.072 0.300 . 1 . . . . 87 PHE CE2 . 10070 1 980 . 1 1 87 87 PHE CZ C 13 129.649 0.300 . 1 . . . . 87 PHE CZ . 10070 1 981 . 1 1 87 87 PHE N N 15 117.292 0.300 . 1 . . . . 87 PHE N . 10070 1 982 . 1 1 88 88 LEU H H 1 9.035 0.030 . 1 . . . . 88 LEU H . 10070 1 983 . 1 1 88 88 LEU HA H 1 4.443 0.030 . 1 . . . . 88 LEU HA . 10070 1 984 . 1 1 88 88 LEU HB2 H 1 2.093 0.030 . 2 . . . . 88 LEU HB2 . 10070 1 985 . 1 1 88 88 LEU HB3 H 1 1.683 0.030 . 2 . . . . 88 LEU HB3 . 10070 1 986 . 1 1 88 88 LEU HG H 1 1.710 0.030 . 1 . . . . 88 LEU HG . 10070 1 987 . 1 1 88 88 LEU HD11 H 1 1.022 0.030 . 1 . . . . 88 LEU HD1 . 10070 1 988 . 1 1 88 88 LEU HD12 H 1 1.022 0.030 . 1 . . . . 88 LEU HD1 . 10070 1 989 . 1 1 88 88 LEU HD13 H 1 1.022 0.030 . 1 . . . . 88 LEU HD1 . 10070 1 990 . 1 1 88 88 LEU HD21 H 1 0.808 0.030 . 1 . . . . 88 LEU HD2 . 10070 1 991 . 1 1 88 88 LEU HD22 H 1 0.808 0.030 . 1 . . . . 88 LEU HD2 . 10070 1 992 . 1 1 88 88 LEU HD23 H 1 0.808 0.030 . 1 . . . . 88 LEU HD2 . 10070 1 993 . 1 1 88 88 LEU C C 13 175.700 0.300 . 1 . . . . 88 LEU C . 10070 1 994 . 1 1 88 88 LEU CA C 13 56.273 0.300 . 1 . . . . 88 LEU CA . 10070 1 995 . 1 1 88 88 LEU CB C 13 42.278 0.300 . 1 . . . . 88 LEU CB . 10070 1 996 . 1 1 88 88 LEU CG C 13 27.190 0.300 . 1 . . . . 88 LEU CG . 10070 1 997 . 1 1 88 88 LEU CD1 C 13 26.986 0.300 . 2 . . . . 88 LEU CD1 . 10070 1 998 . 1 1 88 88 LEU CD2 C 13 23.710 0.300 . 2 . . . . 88 LEU CD2 . 10070 1 999 . 1 1 88 88 LEU N N 15 127.467 0.300 . 1 . . . . 88 LEU N . 10070 1 1000 . 1 1 89 89 ASN H H 1 8.906 0.030 . 1 . . . . 89 ASN H . 10070 1 1001 . 1 1 89 89 ASN HA H 1 5.211 0.030 . 1 . . . . 89 ASN HA . 10070 1 1002 . 1 1 89 89 ASN HB2 H 1 2.821 0.030 . 2 . . . . 89 ASN HB2 . 10070 1 1003 . 1 1 89 89 ASN HB3 H 1 2.515 0.030 . 2 . . . . 89 ASN HB3 . 10070 1 1004 . 1 1 89 89 ASN HD21 H 1 7.637 0.030 . 2 . . . . 89 ASN HD21 . 10070 1 1005 . 1 1 89 89 ASN HD22 H 1 6.901 0.030 . 2 . . . . 89 ASN HD22 . 10070 1 1006 . 1 1 89 89 ASN C C 13 173.918 0.300 . 1 . . . . 89 ASN C . 10070 1 1007 . 1 1 89 89 ASN CA C 13 51.920 0.300 . 1 . . . . 89 ASN CA . 10070 1 1008 . 1 1 89 89 ASN CB C 13 39.113 0.300 . 1 . . . . 89 ASN CB . 10070 1 1009 . 1 1 89 89 ASN N N 15 130.099 0.300 . 1 . . . . 89 ASN N . 10070 1 1010 . 1 1 89 89 ASN ND2 N 15 111.814 0.300 . 1 . . . . 89 ASN ND2 . 10070 1 1011 . 1 1 90 90 SER H H 1 7.686 0.030 . 1 . . . . 90 SER H . 10070 1 1012 . 1 1 90 90 SER HA H 1 5.370 0.030 . 1 . . . . 90 SER HA . 10070 1 1013 . 1 1 90 90 SER HB2 H 1 3.837 0.030 . 2 . . . . 90 SER HB2 . 10070 1 1014 . 1 1 90 90 SER HB3 H 1 3.751 0.030 . 2 . . . . 90 SER HB3 . 10070 1 1015 . 1 1 90 90 SER C C 13 173.853 0.300 . 1 . . . . 90 SER C . 10070 1 1016 . 1 1 90 90 SER CA C 13 57.325 0.300 . 1 . . . . 90 SER CA . 10070 1 1017 . 1 1 90 90 SER CB C 13 64.737 0.300 . 1 . . . . 90 SER CB . 10070 1 1018 . 1 1 90 90 SER N N 15 114.704 0.300 . 1 . . . . 90 SER N . 10070 1 1019 . 1 1 91 91 THR H H 1 8.243 0.030 . 1 . . . . 91 THR H . 10070 1 1020 . 1 1 91 91 THR HA H 1 4.372 0.030 . 1 . . . . 91 THR HA . 10070 1 1021 . 1 1 91 91 THR HB H 1 4.132 0.030 . 1 . . . . 91 THR HB . 10070 1 1022 . 1 1 91 91 THR HG21 H 1 1.222 0.030 . 1 . . . . 91 THR HG2 . 10070 1 1023 . 1 1 91 91 THR HG22 H 1 1.222 0.030 . 1 . . . . 91 THR HG2 . 10070 1 1024 . 1 1 91 91 THR HG23 H 1 1.222 0.030 . 1 . . . . 91 THR HG2 . 10070 1 1025 . 1 1 91 91 THR C C 13 173.038 0.300 . 1 . . . . 91 THR C . 10070 1 1026 . 1 1 91 91 THR CA C 13 60.626 0.300 . 1 . . . . 91 THR CA . 10070 1 1027 . 1 1 91 91 THR CB C 13 71.118 0.300 . 1 . . . . 91 THR CB . 10070 1 1028 . 1 1 91 91 THR CG2 C 13 21.390 0.300 . 1 . . . . 91 THR CG2 . 10070 1 1029 . 1 1 91 91 THR N N 15 120.209 0.300 . 1 . . . . 91 THR N . 10070 1 1030 . 1 1 92 92 ALA H H 1 8.100 0.030 . 1 . . . . 92 ALA H . 10070 1 1031 . 1 1 92 92 ALA HA H 1 3.802 0.030 . 1 . . . . 92 ALA HA . 10070 1 1032 . 1 1 92 92 ALA HB1 H 1 1.155 0.030 . 1 . . . . 92 ALA HB . 10070 1 1033 . 1 1 92 92 ALA HB2 H 1 1.155 0.030 . 1 . . . . 92 ALA HB . 10070 1 1034 . 1 1 92 92 ALA HB3 H 1 1.155 0.030 . 1 . . . . 92 ALA HB . 10070 1 1035 . 1 1 92 92 ALA C C 13 178.556 0.300 . 1 . . . . 92 ALA C . 10070 1 1036 . 1 1 92 92 ALA CA C 13 52.541 0.300 . 1 . . . . 92 ALA CA . 10070 1 1037 . 1 1 92 92 ALA CB C 13 19.021 0.300 . 1 . . . . 92 ALA CB . 10070 1 1038 . 1 1 92 92 ALA N N 15 124.748 0.300 . 1 . . . . 92 ALA N . 10070 1 1039 . 1 1 93 93 GLY H H 1 8.295 0.030 . 1 . . . . 93 GLY H . 10070 1 1040 . 1 1 93 93 GLY HA2 H 1 4.038 0.030 . 1 . . . . 93 GLY HA2 . 10070 1 1041 . 1 1 93 93 GLY HA3 H 1 4.038 0.030 . 1 . . . . 93 GLY HA3 . 10070 1 1042 . 1 1 93 93 GLY C C 13 174.337 0.300 . 1 . . . . 93 GLY C . 10070 1 1043 . 1 1 93 93 GLY CA C 13 45.250 0.300 . 1 . . . . 93 GLY CA . 10070 1 1044 . 1 1 93 93 GLY N N 15 107.887 0.300 . 1 . . . . 93 GLY N . 10070 1 1045 . 1 1 94 94 THR H H 1 8.154 0.030 . 1 . . . . 94 THR H . 10070 1 1046 . 1 1 94 94 THR HA H 1 4.477 0.030 . 1 . . . . 94 THR HA . 10070 1 1047 . 1 1 94 94 THR HB H 1 4.294 0.030 . 1 . . . . 94 THR HB . 10070 1 1048 . 1 1 94 94 THR C C 13 174.902 0.300 . 1 . . . . 94 THR C . 10070 1 1049 . 1 1 94 94 THR CA C 13 61.522 0.300 . 1 . . . . 94 THR CA . 10070 1 1050 . 1 1 94 94 THR CB C 13 70.001 0.300 . 1 . . . . 94 THR CB . 10070 1 1051 . 1 1 94 94 THR N N 15 113.302 0.300 . 1 . . . . 94 THR N . 10070 1 1052 . 1 1 99 99 PRO HA H 1 4.483 0.030 . 1 . . . . 99 PRO HA . 10070 1 1053 . 1 1 99 99 PRO HB2 H 1 2.305 0.030 . 2 . . . . 99 PRO HB2 . 10070 1 1054 . 1 1 99 99 PRO HB3 H 1 1.984 0.030 . 2 . . . . 99 PRO HB3 . 10070 1 1055 . 1 1 99 99 PRO HG2 H 1 2.026 0.030 . 1 . . . . 99 PRO HG2 . 10070 1 1056 . 1 1 99 99 PRO HG3 H 1 2.026 0.030 . 1 . . . . 99 PRO HG3 . 10070 1 1057 . 1 1 99 99 PRO HD2 H 1 3.642 0.030 . 1 . . . . 99 PRO HD2 . 10070 1 1058 . 1 1 99 99 PRO HD3 H 1 3.642 0.030 . 1 . . . . 99 PRO HD3 . 10070 1 1059 . 1 1 99 99 PRO C C 13 177.402 0.300 . 1 . . . . 99 PRO C . 10070 1 1060 . 1 1 99 99 PRO CA C 13 63.282 0.300 . 1 . . . . 99 PRO CA . 10070 1 1061 . 1 1 99 99 PRO CB C 13 32.195 0.300 . 1 . . . . 99 PRO CB . 10070 1 1062 . 1 1 99 99 PRO CG C 13 27.157 0.300 . 1 . . . . 99 PRO CG . 10070 1 1063 . 1 1 99 99 PRO CD C 13 49.811 0.300 . 1 . . . . 99 PRO CD . 10070 1 1064 . 1 1 100 100 SER H H 1 8.516 0.030 . 1 . . . . 100 SER H . 10070 1 1065 . 1 1 100 100 SER HA H 1 4.525 0.030 . 1 . . . . 100 SER HA . 10070 1 1066 . 1 1 100 100 SER HB2 H 1 3.936 0.030 . 1 . . . . 100 SER HB2 . 10070 1 1067 . 1 1 100 100 SER HB3 H 1 3.936 0.030 . 1 . . . . 100 SER HB3 . 10070 1 1068 . 1 1 100 100 SER C C 13 174.635 0.300 . 1 . . . . 100 SER C . 10070 1 1069 . 1 1 100 100 SER CA C 13 58.406 0.300 . 1 . . . . 100 SER CA . 10070 1 1070 . 1 1 100 100 SER CB C 13 63.933 0.300 . 1 . . . . 100 SER CB . 10070 1 1071 . 1 1 100 100 SER N N 15 116.387 0.300 . 1 . . . . 100 SER N . 10070 1 1072 . 1 1 101 101 SER H H 1 8.325 0.030 . 1 . . . . 101 SER H . 10070 1 1073 . 1 1 101 101 SER HA H 1 4.525 0.030 . 1 . . . . 101 SER HA . 10070 1 1074 . 1 1 101 101 SER HB2 H 1 3.917 0.030 . 1 . . . . 101 SER HB2 . 10070 1 1075 . 1 1 101 101 SER HB3 H 1 3.917 0.030 . 1 . . . . 101 SER HB3 . 10070 1 1076 . 1 1 101 101 SER C C 13 173.934 0.300 . 1 . . . . 101 SER C . 10070 1 1077 . 1 1 101 101 SER CA C 13 58.450 0.300 . 1 . . . . 101 SER CA . 10070 1 1078 . 1 1 101 101 SER CB C 13 64.194 0.300 . 1 . . . . 101 SER CB . 10070 1 1079 . 1 1 101 101 SER N N 15 117.830 0.300 . 1 . . . . 101 SER N . 10070 1 1080 . 1 1 102 102 GLY H H 1 8.044 0.030 . 1 . . . . 102 GLY H . 10070 1 1081 . 1 1 102 102 GLY HA2 H 1 3.782 0.030 . 1 . . . . 102 GLY HA2 . 10070 1 1082 . 1 1 102 102 GLY HA3 H 1 3.782 0.030 . 1 . . . . 102 GLY HA3 . 10070 1 1083 . 1 1 102 102 GLY C C 13 178.999 0.300 . 1 . . . . 102 GLY C . 10070 1 1084 . 1 1 102 102 GLY CA C 13 46.216 0.300 . 1 . . . . 102 GLY CA . 10070 1 1085 . 1 1 102 102 GLY N N 15 116.870 0.300 . 1 . . . . 102 GLY N . 10070 1 stop_ save_