data_10072 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10072 _Entry.Title ; Solution structure of RRM domain in HNRPC protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-25 _Entry.Accession_date 2006-12-27 _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 . . . 10072 2 Y. Muto . . . 10072 3 M. Inoue . . . 10072 4 T. Kigawa . . . 10072 5 M. Shirouzu . . . 10072 6 T. Terada . . . 10072 7 S. Yokoyama . . . 10072 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' . 10072 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10072 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 10072 '15N chemical shifts' 89 10072 '1H chemical shifts' 605 10072 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 . 10072 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WF2 'BMRB Entry Tracking System' 10072 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10072 _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 HNRPC protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 F. He . . . 10072 1 2 Y. Muto . . . 10072 1 3 M. Inoue . . . 10072 1 4 T. Kigawa . . . 10072 1 5 M. Shirouzu . . . 10072 1 6 T. Terada . . . 10072 1 7 S. Yokoyama . . . 10072 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10072 _Assembly.ID 1 _Assembly.Name 'Heterogeneous nuclear ribonucleoproteins C1/C2' _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' 10072 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 ribonucleoproteins C1/C2' 1 $entity_1 . . yes native no no . . . 10072 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 1WF2 . . . . . . 10072 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10072 _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 ; GSSGSSGKTDPRSMNSRVFI GNLNTLVVKKSDVEAIFSKY GKIVGCSVHKGFAFVQYVNE RNARAAVAGEDGRMIAGQVL DINLAAEPKVNRSGPSSG ; _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 98 _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 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WF2 . "Solution Structure Of Rrm Domain In Hnrpc Protein" . . . . . 100.00 98 100.00 100.00 1.29e-62 . . . . 10072 1 2 no GB AAV66399 . "heterogeneous nuclear ribonucleoprotein C [Macaca fascicularis]" . . . . . 78.57 265 100.00 100.00 4.81e-46 . . . . 10072 1 3 no GB EDL42257 . "mCG18710, isoform CRA_d, partial [Mus musculus]" . . . . . 88.78 299 97.70 98.85 1.20e-53 . . . . 10072 1 4 no GB EDL42258 . "mCG18710, isoform CRA_e, partial [Mus musculus]" . . . . . 88.78 307 97.70 98.85 1.79e-53 . . . . 10072 1 5 no REF XP_005372243 . "PREDICTED: heterogeneous nuclear ribonucleoprotein C [Microtus ochrogaster]" . . . . . 86.73 301 100.00 100.00 3.11e-53 . . . . 10072 1 6 no REF XP_009989486 . "PREDICTED: heterogeneous nuclear ribonucleoprotein C-like, partial [Tauraco erythrolophus]" . . . . . 68.37 67 100.00 100.00 3.19e-39 . . . . 10072 1 7 no REF XP_012325381 . "PREDICTED: heterogeneous nuclear ribonucleoproteins C1/C2 [Aotus nancymaae]" . . . . . 80.61 190 100.00 100.00 1.51e-47 . . . . 10072 1 8 no REF XP_013226683 . "PREDICTED: heterogeneous nuclear ribonucleoprotein C-like [Columba livia]" . . . . . 74.49 214 100.00 100.00 2.02e-43 . . . . 10072 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'RRM domain' . 10072 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 . 10072 1 2 . SER . 10072 1 3 . SER . 10072 1 4 . GLY . 10072 1 5 . SER . 10072 1 6 . SER . 10072 1 7 . GLY . 10072 1 8 . LYS . 10072 1 9 . THR . 10072 1 10 . ASP . 10072 1 11 . PRO . 10072 1 12 . ARG . 10072 1 13 . SER . 10072 1 14 . MET . 10072 1 15 . ASN . 10072 1 16 . SER . 10072 1 17 . ARG . 10072 1 18 . VAL . 10072 1 19 . PHE . 10072 1 20 . ILE . 10072 1 21 . GLY . 10072 1 22 . ASN . 10072 1 23 . LEU . 10072 1 24 . ASN . 10072 1 25 . THR . 10072 1 26 . LEU . 10072 1 27 . VAL . 10072 1 28 . VAL . 10072 1 29 . LYS . 10072 1 30 . LYS . 10072 1 31 . SER . 10072 1 32 . ASP . 10072 1 33 . VAL . 10072 1 34 . GLU . 10072 1 35 . ALA . 10072 1 36 . ILE . 10072 1 37 . PHE . 10072 1 38 . SER . 10072 1 39 . LYS . 10072 1 40 . TYR . 10072 1 41 . GLY . 10072 1 42 . LYS . 10072 1 43 . ILE . 10072 1 44 . VAL . 10072 1 45 . GLY . 10072 1 46 . CYS . 10072 1 47 . SER . 10072 1 48 . VAL . 10072 1 49 . HIS . 10072 1 50 . LYS . 10072 1 51 . GLY . 10072 1 52 . PHE . 10072 1 53 . ALA . 10072 1 54 . PHE . 10072 1 55 . VAL . 10072 1 56 . GLN . 10072 1 57 . TYR . 10072 1 58 . VAL . 10072 1 59 . ASN . 10072 1 60 . GLU . 10072 1 61 . ARG . 10072 1 62 . ASN . 10072 1 63 . ALA . 10072 1 64 . ARG . 10072 1 65 . ALA . 10072 1 66 . ALA . 10072 1 67 . VAL . 10072 1 68 . ALA . 10072 1 69 . GLY . 10072 1 70 . GLU . 10072 1 71 . ASP . 10072 1 72 . GLY . 10072 1 73 . ARG . 10072 1 74 . MET . 10072 1 75 . ILE . 10072 1 76 . ALA . 10072 1 77 . GLY . 10072 1 78 . GLN . 10072 1 79 . VAL . 10072 1 80 . LEU . 10072 1 81 . ASP . 10072 1 82 . ILE . 10072 1 83 . ASN . 10072 1 84 . LEU . 10072 1 85 . ALA . 10072 1 86 . ALA . 10072 1 87 . GLU . 10072 1 88 . PRO . 10072 1 89 . LYS . 10072 1 90 . VAL . 10072 1 91 . ASN . 10072 1 92 . ARG . 10072 1 93 . SER . 10072 1 94 . GLY . 10072 1 95 . PRO . 10072 1 96 . SER . 10072 1 97 . SER . 10072 1 98 . GLY . 10072 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 10072 1 . SER 2 2 10072 1 . SER 3 3 10072 1 . GLY 4 4 10072 1 . SER 5 5 10072 1 . SER 6 6 10072 1 . GLY 7 7 10072 1 . LYS 8 8 10072 1 . THR 9 9 10072 1 . ASP 10 10 10072 1 . PRO 11 11 10072 1 . ARG 12 12 10072 1 . SER 13 13 10072 1 . MET 14 14 10072 1 . ASN 15 15 10072 1 . SER 16 16 10072 1 . ARG 17 17 10072 1 . VAL 18 18 10072 1 . PHE 19 19 10072 1 . ILE 20 20 10072 1 . GLY 21 21 10072 1 . ASN 22 22 10072 1 . LEU 23 23 10072 1 . ASN 24 24 10072 1 . THR 25 25 10072 1 . LEU 26 26 10072 1 . VAL 27 27 10072 1 . VAL 28 28 10072 1 . LYS 29 29 10072 1 . LYS 30 30 10072 1 . SER 31 31 10072 1 . ASP 32 32 10072 1 . VAL 33 33 10072 1 . GLU 34 34 10072 1 . ALA 35 35 10072 1 . ILE 36 36 10072 1 . PHE 37 37 10072 1 . SER 38 38 10072 1 . LYS 39 39 10072 1 . TYR 40 40 10072 1 . GLY 41 41 10072 1 . LYS 42 42 10072 1 . ILE 43 43 10072 1 . VAL 44 44 10072 1 . GLY 45 45 10072 1 . CYS 46 46 10072 1 . SER 47 47 10072 1 . VAL 48 48 10072 1 . HIS 49 49 10072 1 . LYS 50 50 10072 1 . GLY 51 51 10072 1 . PHE 52 52 10072 1 . ALA 53 53 10072 1 . PHE 54 54 10072 1 . VAL 55 55 10072 1 . GLN 56 56 10072 1 . TYR 57 57 10072 1 . VAL 58 58 10072 1 . ASN 59 59 10072 1 . GLU 60 60 10072 1 . ARG 61 61 10072 1 . ASN 62 62 10072 1 . ALA 63 63 10072 1 . ARG 64 64 10072 1 . ALA 65 65 10072 1 . ALA 66 66 10072 1 . VAL 67 67 10072 1 . ALA 68 68 10072 1 . GLY 69 69 10072 1 . GLU 70 70 10072 1 . ASP 71 71 10072 1 . GLY 72 72 10072 1 . ARG 73 73 10072 1 . MET 74 74 10072 1 . ILE 75 75 10072 1 . ALA 76 76 10072 1 . GLY 77 77 10072 1 . GLN 78 78 10072 1 . VAL 79 79 10072 1 . LEU 80 80 10072 1 . ASP 81 81 10072 1 . ILE 82 82 10072 1 . ASN 83 83 10072 1 . LEU 84 84 10072 1 . ALA 85 85 10072 1 . ALA 86 86 10072 1 . GLU 87 87 10072 1 . PRO 88 88 10072 1 . LYS 89 89 10072 1 . VAL 90 90 10072 1 . ASN 91 91 10072 1 . ARG 92 92 10072 1 . SER 93 93 10072 1 . GLY 94 94 10072 1 . PRO 95 95 10072 1 . SER 96 96 10072 1 . SER 97 97 10072 1 . GLY 98 98 10072 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 10072 _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 . . . . . . . . . . . . . . . . . . . . . 10072 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 10072 _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 . . P040301-06 . . . . . . 10072 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10072 _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 . . . . 10072 1 2 'd-Tris-HCl(pH 7.0)' . . . . . . buffer 20 . . mM . . . . 10072 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10072 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10072 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10072 1 6 H2O . . . . . . solvent 90 . . % . . . . 10072 1 7 D2O . . . . . . solvent 10 . . % . . . . 10072 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 10072 _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 10072 1 pH 7.0 0.05 pH 10072 1 pressure 1 0.001 atm 10072 1 temperature 298 0.1 K 10072 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10072 _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 . . 10072 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10072 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10072 _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.' . . 10072 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10072 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10072 _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.' . . 10072 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10072 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10072 _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.' . . 10072 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10072 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10072 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.29 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10072 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10072 5 'structure solution' 10072 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 10072 _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 10072 _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 . . . . . . . . . . . . . . . . 10072 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10072 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 10072 _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 10072 _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 10072 _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 . . . . . . . . . 10072 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10072 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10072 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 10072 _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 10072 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10072 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 4.016 0.030 . 1 . . . . 7 GLY HA2 . 10072 1 2 . 1 1 7 7 GLY HA3 H 1 4.016 0.030 . 1 . . . . 7 GLY HA3 . 10072 1 3 . 1 1 7 7 GLY C C 13 174.049 0.300 . 1 . . . . 7 GLY C . 10072 1 4 . 1 1 7 7 GLY CA C 13 45.437 0.300 . 1 . . . . 7 GLY CA . 10072 1 5 . 1 1 8 8 LYS H H 1 8.160 0.030 . 1 . . . . 8 LYS H . 10072 1 6 . 1 1 8 8 LYS HA H 1 4.388 0.030 . 1 . . . . 8 LYS HA . 10072 1 7 . 1 1 8 8 LYS HB2 H 1 1.818 0.030 . 1 . . . . 8 LYS HB2 . 10072 1 8 . 1 1 8 8 LYS HB3 H 1 1.818 0.030 . 1 . . . . 8 LYS HB3 . 10072 1 9 . 1 1 8 8 LYS HG2 H 1 1.451 0.030 . 1 . . . . 8 LYS HG2 . 10072 1 10 . 1 1 8 8 LYS HG3 H 1 1.451 0.030 . 1 . . . . 8 LYS HG3 . 10072 1 11 . 1 1 8 8 LYS HD2 H 1 1.723 0.030 . 1 . . . . 8 LYS HD2 . 10072 1 12 . 1 1 8 8 LYS HD3 H 1 1.723 0.030 . 1 . . . . 8 LYS HD3 . 10072 1 13 . 1 1 8 8 LYS HE2 H 1 3.023 0.030 . 1 . . . . 8 LYS HE2 . 10072 1 14 . 1 1 8 8 LYS HE3 H 1 3.023 0.030 . 1 . . . . 8 LYS HE3 . 10072 1 15 . 1 1 8 8 LYS C C 13 176.839 0.300 . 1 . . . . 8 LYS C . 10072 1 16 . 1 1 8 8 LYS CA C 13 56.308 0.300 . 1 . . . . 8 LYS CA . 10072 1 17 . 1 1 8 8 LYS CB C 13 33.206 0.300 . 1 . . . . 8 LYS CB . 10072 1 18 . 1 1 8 8 LYS CG C 13 24.688 0.300 . 1 . . . . 8 LYS CG . 10072 1 19 . 1 1 8 8 LYS CD C 13 29.101 0.300 . 1 . . . . 8 LYS CD . 10072 1 20 . 1 1 8 8 LYS CE C 13 42.241 0.300 . 1 . . . . 8 LYS CE . 10072 1 21 . 1 1 8 8 LYS N N 15 120.819 0.300 . 1 . . . . 8 LYS N . 10072 1 22 . 1 1 9 9 THR H H 1 8.193 0.030 . 1 . . . . 9 THR H . 10072 1 23 . 1 1 9 9 THR HA H 1 4.304 0.030 . 1 . . . . 9 THR HA . 10072 1 24 . 1 1 9 9 THR HB H 1 4.137 0.030 . 1 . . . . 9 THR HB . 10072 1 25 . 1 1 9 9 THR HG21 H 1 1.139 0.030 . 1 . . . . 9 THR HG2 . 10072 1 26 . 1 1 9 9 THR HG22 H 1 1.139 0.030 . 1 . . . . 9 THR HG2 . 10072 1 27 . 1 1 9 9 THR HG23 H 1 1.139 0.030 . 1 . . . . 9 THR HG2 . 10072 1 28 . 1 1 9 9 THR C C 13 173.841 0.300 . 1 . . . . 9 THR C . 10072 1 29 . 1 1 9 9 THR CA C 13 61.646 0.300 . 1 . . . . 9 THR CA . 10072 1 30 . 1 1 9 9 THR CB C 13 69.938 0.300 . 1 . . . . 9 THR CB . 10072 1 31 . 1 1 9 9 THR CG2 C 13 21.679 0.300 . 1 . . . . 9 THR CG2 . 10072 1 32 . 1 1 9 9 THR N N 15 115.536 0.300 . 1 . . . . 9 THR N . 10072 1 33 . 1 1 10 10 ASP H H 1 8.414 0.030 . 1 . . . . 10 ASP H . 10072 1 34 . 1 1 10 10 ASP HA H 1 4.885 0.030 . 1 . . . . 10 ASP HA . 10072 1 35 . 1 1 10 10 ASP HB2 H 1 2.786 0.030 . 2 . . . . 10 ASP HB2 . 10072 1 36 . 1 1 10 10 ASP HB3 H 1 2.593 0.030 . 2 . . . . 10 ASP HB3 . 10072 1 37 . 1 1 10 10 ASP CA C 13 52.006 0.300 . 1 . . . . 10 ASP CA . 10072 1 38 . 1 1 10 10 ASP CB C 13 41.483 0.300 . 1 . . . . 10 ASP CB . 10072 1 39 . 1 1 10 10 ASP N N 15 124.673 0.300 . 1 . . . . 10 ASP N . 10072 1 40 . 1 1 11 11 PRO HA H 1 4.395 0.030 . 1 . . . . 11 PRO HA . 10072 1 41 . 1 1 11 11 PRO HB2 H 1 2.318 0.030 . 2 . . . . 11 PRO HB2 . 10072 1 42 . 1 1 11 11 PRO HB3 H 1 1.984 0.030 . 2 . . . . 11 PRO HB3 . 10072 1 43 . 1 1 11 11 PRO HG2 H 1 2.032 0.030 . 1 . . . . 11 PRO HG2 . 10072 1 44 . 1 1 11 11 PRO HG3 H 1 2.032 0.030 . 1 . . . . 11 PRO HG3 . 10072 1 45 . 1 1 11 11 PRO HD2 H 1 3.895 0.030 . 2 . . . . 11 PRO HD2 . 10072 1 46 . 1 1 11 11 PRO HD3 H 1 3.876 0.030 . 2 . . . . 11 PRO HD3 . 10072 1 47 . 1 1 11 11 PRO C C 13 177.615 0.300 . 1 . . . . 11 PRO C . 10072 1 48 . 1 1 11 11 PRO CA C 13 64.122 0.300 . 1 . . . . 11 PRO CA . 10072 1 49 . 1 1 11 11 PRO CB C 13 32.218 0.300 . 1 . . . . 11 PRO CB . 10072 1 50 . 1 1 11 11 PRO CG C 13 27.241 0.300 . 1 . . . . 11 PRO CG . 10072 1 51 . 1 1 11 11 PRO CD C 13 50.970 0.300 . 1 . . . . 11 PRO CD . 10072 1 52 . 1 1 12 12 ARG H H 1 8.388 0.030 . 1 . . . . 12 ARG H . 10072 1 53 . 1 1 12 12 ARG HA H 1 4.250 0.030 . 1 . . . . 12 ARG HA . 10072 1 54 . 1 1 12 12 ARG HB2 H 1 1.887 0.030 . 2 . . . . 12 ARG HB2 . 10072 1 55 . 1 1 12 12 ARG HB3 H 1 1.821 0.030 . 2 . . . . 12 ARG HB3 . 10072 1 56 . 1 1 12 12 ARG HG2 H 1 1.647 0.030 . 1 . . . . 12 ARG HG2 . 10072 1 57 . 1 1 12 12 ARG HG3 H 1 1.647 0.030 . 1 . . . . 12 ARG HG3 . 10072 1 58 . 1 1 12 12 ARG HD2 H 1 3.220 0.030 . 1 . . . . 12 ARG HD2 . 10072 1 59 . 1 1 12 12 ARG HD3 H 1 3.220 0.030 . 1 . . . . 12 ARG HD3 . 10072 1 60 . 1 1 12 12 ARG C C 13 177.411 0.300 . 1 . . . . 12 ARG C . 10072 1 61 . 1 1 12 12 ARG CA C 13 56.975 0.300 . 1 . . . . 12 ARG CA . 10072 1 62 . 1 1 12 12 ARG CB C 13 30.109 0.300 . 1 . . . . 12 ARG CB . 10072 1 63 . 1 1 12 12 ARG CG C 13 27.095 0.300 . 1 . . . . 12 ARG CG . 10072 1 64 . 1 1 12 12 ARG CD C 13 43.345 0.300 . 1 . . . . 12 ARG CD . 10072 1 65 . 1 1 12 12 ARG N N 15 118.953 0.300 . 1 . . . . 12 ARG N . 10072 1 66 . 1 1 13 13 SER H H 1 8.074 0.030 . 1 . . . . 13 SER H . 10072 1 67 . 1 1 13 13 SER HA H 1 4.376 0.030 . 1 . . . . 13 SER HA . 10072 1 68 . 1 1 13 13 SER HB2 H 1 3.898 0.030 . 1 . . . . 13 SER HB2 . 10072 1 69 . 1 1 13 13 SER HB3 H 1 3.898 0.030 . 1 . . . . 13 SER HB3 . 10072 1 70 . 1 1 13 13 SER C C 13 175.684 0.300 . 1 . . . . 13 SER C . 10072 1 71 . 1 1 13 13 SER CA C 13 59.098 0.300 . 1 . . . . 13 SER CA . 10072 1 72 . 1 1 13 13 SER CB C 13 63.771 0.300 . 1 . . . . 13 SER CB . 10072 1 73 . 1 1 13 13 SER N N 15 115.673 0.300 . 1 . . . . 13 SER N . 10072 1 74 . 1 1 14 14 MET HA H 1 4.346 0.030 . 1 . . . . 14 MET HA . 10072 1 75 . 1 1 14 14 MET HB2 H 1 2.070 0.030 . 2 . . . . 14 MET HB2 . 10072 1 76 . 1 1 14 14 MET HB3 H 1 2.015 0.030 . 2 . . . . 14 MET HB3 . 10072 1 77 . 1 1 14 14 MET HG2 H 1 2.628 0.030 . 2 . . . . 14 MET HG2 . 10072 1 78 . 1 1 14 14 MET HG3 H 1 2.514 0.030 . 2 . . . . 14 MET HG3 . 10072 1 79 . 1 1 14 14 MET HE1 H 1 2.036 0.030 . 1 . . . . 14 MET HE . 10072 1 80 . 1 1 14 14 MET HE2 H 1 2.036 0.030 . 1 . . . . 14 MET HE . 10072 1 81 . 1 1 14 14 MET HE3 H 1 2.036 0.030 . 1 . . . . 14 MET HE . 10072 1 82 . 1 1 14 14 MET C C 13 176.830 0.300 . 1 . . . . 14 MET C . 10072 1 83 . 1 1 14 14 MET CA C 13 56.795 0.300 . 1 . . . . 14 MET CA . 10072 1 84 . 1 1 14 14 MET CB C 13 32.632 0.300 . 1 . . . . 14 MET CB . 10072 1 85 . 1 1 14 14 MET CG C 13 32.281 0.300 . 1 . . . . 14 MET CG . 10072 1 86 . 1 1 14 14 MET CE C 13 17.176 0.300 . 1 . . . . 14 MET CE . 10072 1 87 . 1 1 15 15 ASN H H 1 8.465 0.030 . 1 . . . . 15 ASN H . 10072 1 88 . 1 1 15 15 ASN HA H 1 4.711 0.030 . 1 . . . . 15 ASN HA . 10072 1 89 . 1 1 15 15 ASN HB2 H 1 2.927 0.030 . 2 . . . . 15 ASN HB2 . 10072 1 90 . 1 1 15 15 ASN HB3 H 1 2.800 0.030 . 2 . . . . 15 ASN HB3 . 10072 1 91 . 1 1 15 15 ASN HD21 H 1 6.830 0.030 . 2 . . . . 15 ASN HD21 . 10072 1 92 . 1 1 15 15 ASN HD22 H 1 7.463 0.030 . 2 . . . . 15 ASN HD22 . 10072 1 93 . 1 1 15 15 ASN C C 13 173.268 0.300 . 1 . . . . 15 ASN C . 10072 1 94 . 1 1 15 15 ASN CA C 13 53.903 0.300 . 1 . . . . 15 ASN CA . 10072 1 95 . 1 1 15 15 ASN CB C 13 37.955 0.300 . 1 . . . . 15 ASN CB . 10072 1 96 . 1 1 15 15 ASN N N 15 118.004 0.300 . 1 . . . . 15 ASN N . 10072 1 97 . 1 1 15 15 ASN ND2 N 15 111.530 0.300 . 1 . . . . 15 ASN ND2 . 10072 1 98 . 1 1 16 16 SER H H 1 7.573 0.030 . 1 . . . . 16 SER H . 10072 1 99 . 1 1 16 16 SER HA H 1 4.468 0.030 . 1 . . . . 16 SER HA . 10072 1 100 . 1 1 16 16 SER HB2 H 1 3.879 0.030 . 2 . . . . 16 SER HB2 . 10072 1 101 . 1 1 16 16 SER HB3 H 1 3.380 0.030 . 2 . . . . 16 SER HB3 . 10072 1 102 . 1 1 16 16 SER C C 13 172.286 0.300 . 1 . . . . 16 SER C . 10072 1 103 . 1 1 16 16 SER CA C 13 57.200 0.300 . 1 . . . . 16 SER CA . 10072 1 104 . 1 1 16 16 SER CB C 13 63.569 0.300 . 1 . . . . 16 SER CB . 10072 1 105 . 1 1 16 16 SER N N 15 108.779 0.300 . 1 . . . . 16 SER N . 10072 1 106 . 1 1 17 17 ARG H H 1 7.658 0.030 . 1 . . . . 17 ARG H . 10072 1 107 . 1 1 17 17 ARG HA H 1 5.236 0.030 . 1 . . . . 17 ARG HA . 10072 1 108 . 1 1 17 17 ARG HB2 H 1 1.898 0.030 . 2 . . . . 17 ARG HB2 . 10072 1 109 . 1 1 17 17 ARG HB3 H 1 1.839 0.030 . 2 . . . . 17 ARG HB3 . 10072 1 110 . 1 1 17 17 ARG HG2 H 1 1.494 0.030 . 2 . . . . 17 ARG HG2 . 10072 1 111 . 1 1 17 17 ARG HG3 H 1 1.438 0.030 . 2 . . . . 17 ARG HG3 . 10072 1 112 . 1 1 17 17 ARG HD2 H 1 2.898 0.030 . 1 . . . . 17 ARG HD2 . 10072 1 113 . 1 1 17 17 ARG HD3 H 1 2.898 0.030 . 1 . . . . 17 ARG HD3 . 10072 1 114 . 1 1 17 17 ARG C C 13 174.489 0.300 . 1 . . . . 17 ARG C . 10072 1 115 . 1 1 17 17 ARG CA C 13 54.805 0.300 . 1 . . . . 17 ARG CA . 10072 1 116 . 1 1 17 17 ARG CB C 13 33.369 0.300 . 1 . . . . 17 ARG CB . 10072 1 117 . 1 1 17 17 ARG CG C 13 28.042 0.300 . 1 . . . . 17 ARG CG . 10072 1 118 . 1 1 17 17 ARG CD C 13 43.545 0.300 . 1 . . . . 17 ARG CD . 10072 1 119 . 1 1 17 17 ARG N N 15 123.498 0.300 . 1 . . . . 17 ARG N . 10072 1 120 . 1 1 18 18 VAL H H 1 9.602 0.030 . 1 . . . . 18 VAL H . 10072 1 121 . 1 1 18 18 VAL HA H 1 4.510 0.030 . 1 . . . . 18 VAL HA . 10072 1 122 . 1 1 18 18 VAL HB H 1 1.967 0.030 . 1 . . . . 18 VAL HB . 10072 1 123 . 1 1 18 18 VAL HG11 H 1 1.073 0.030 . 1 . . . . 18 VAL HG1 . 10072 1 124 . 1 1 18 18 VAL HG12 H 1 1.073 0.030 . 1 . . . . 18 VAL HG1 . 10072 1 125 . 1 1 18 18 VAL HG13 H 1 1.073 0.030 . 1 . . . . 18 VAL HG1 . 10072 1 126 . 1 1 18 18 VAL HG21 H 1 0.792 0.030 . 1 . . . . 18 VAL HG2 . 10072 1 127 . 1 1 18 18 VAL HG22 H 1 0.792 0.030 . 1 . . . . 18 VAL HG2 . 10072 1 128 . 1 1 18 18 VAL HG23 H 1 0.792 0.030 . 1 . . . . 18 VAL HG2 . 10072 1 129 . 1 1 18 18 VAL C C 13 174.191 0.300 . 1 . . . . 18 VAL C . 10072 1 130 . 1 1 18 18 VAL CA C 13 61.796 0.300 . 1 . . . . 18 VAL CA . 10072 1 131 . 1 1 18 18 VAL CB C 13 34.527 0.300 . 1 . . . . 18 VAL CB . 10072 1 132 . 1 1 18 18 VAL CG1 C 13 22.774 0.300 . 2 . . . . 18 VAL CG1 . 10072 1 133 . 1 1 18 18 VAL CG2 C 13 22.938 0.300 . 2 . . . . 18 VAL CG2 . 10072 1 134 . 1 1 18 18 VAL N N 15 125.316 0.300 . 1 . . . . 18 VAL N . 10072 1 135 . 1 1 19 19 PHE H H 1 9.221 0.030 . 1 . . . . 19 PHE H . 10072 1 136 . 1 1 19 19 PHE HA H 1 4.697 0.030 . 1 . . . . 19 PHE HA . 10072 1 137 . 1 1 19 19 PHE HB2 H 1 3.000 0.030 . 2 . . . . 19 PHE HB2 . 10072 1 138 . 1 1 19 19 PHE HB3 H 1 2.900 0.030 . 2 . . . . 19 PHE HB3 . 10072 1 139 . 1 1 19 19 PHE HD1 H 1 6.870 0.030 . 1 . . . . 19 PHE HD1 . 10072 1 140 . 1 1 19 19 PHE HD2 H 1 6.870 0.030 . 1 . . . . 19 PHE HD2 . 10072 1 141 . 1 1 19 19 PHE HE1 H 1 6.828 0.030 . 1 . . . . 19 PHE HE1 . 10072 1 142 . 1 1 19 19 PHE HE2 H 1 6.828 0.030 . 1 . . . . 19 PHE HE2 . 10072 1 143 . 1 1 19 19 PHE HZ H 1 6.935 0.030 . 1 . . . . 19 PHE HZ . 10072 1 144 . 1 1 19 19 PHE C C 13 172.653 0.300 . 1 . . . . 19 PHE C . 10072 1 145 . 1 1 19 19 PHE CA C 13 56.948 0.300 . 1 . . . . 19 PHE CA . 10072 1 146 . 1 1 19 19 PHE CB C 13 40.808 0.300 . 1 . . . . 19 PHE CB . 10072 1 147 . 1 1 19 19 PHE CD1 C 13 132.174 0.300 . 1 . . . . 19 PHE CD1 . 10072 1 148 . 1 1 19 19 PHE CD2 C 13 132.174 0.300 . 1 . . . . 19 PHE CD2 . 10072 1 149 . 1 1 19 19 PHE CE1 C 13 131.098 0.300 . 1 . . . . 19 PHE CE1 . 10072 1 150 . 1 1 19 19 PHE CE2 C 13 131.098 0.300 . 1 . . . . 19 PHE CE2 . 10072 1 151 . 1 1 19 19 PHE CZ C 13 129.334 0.300 . 1 . . . . 19 PHE CZ . 10072 1 152 . 1 1 19 19 PHE N N 15 127.504 0.300 . 1 . . . . 19 PHE N . 10072 1 153 . 1 1 20 20 ILE H H 1 8.286 0.030 . 1 . . . . 20 ILE H . 10072 1 154 . 1 1 20 20 ILE HA H 1 3.998 0.030 . 1 . . . . 20 ILE HA . 10072 1 155 . 1 1 20 20 ILE HB H 1 1.353 0.030 . 1 . . . . 20 ILE HB . 10072 1 156 . 1 1 20 20 ILE HG12 H 1 0.465 0.030 . 2 . . . . 20 ILE HG12 . 10072 1 157 . 1 1 20 20 ILE HG13 H 1 1.076 0.030 . 2 . . . . 20 ILE HG13 . 10072 1 158 . 1 1 20 20 ILE HG21 H 1 0.704 0.030 . 1 . . . . 20 ILE HG2 . 10072 1 159 . 1 1 20 20 ILE HG22 H 1 0.704 0.030 . 1 . . . . 20 ILE HG2 . 10072 1 160 . 1 1 20 20 ILE HG23 H 1 0.704 0.030 . 1 . . . . 20 ILE HG2 . 10072 1 161 . 1 1 20 20 ILE HD11 H 1 -0.130 0.030 . 1 . . . . 20 ILE HD1 . 10072 1 162 . 1 1 20 20 ILE HD12 H 1 -0.130 0.030 . 1 . . . . 20 ILE HD1 . 10072 1 163 . 1 1 20 20 ILE HD13 H 1 -0.130 0.030 . 1 . . . . 20 ILE HD1 . 10072 1 164 . 1 1 20 20 ILE C C 13 173.362 0.300 . 1 . . . . 20 ILE C . 10072 1 165 . 1 1 20 20 ILE CA C 13 59.778 0.300 . 1 . . . . 20 ILE CA . 10072 1 166 . 1 1 20 20 ILE CB C 13 38.727 0.300 . 1 . . . . 20 ILE CB . 10072 1 167 . 1 1 20 20 ILE CG1 C 13 27.410 0.300 . 1 . . . . 20 ILE CG1 . 10072 1 168 . 1 1 20 20 ILE CG2 C 13 20.375 0.300 . 1 . . . . 20 ILE CG2 . 10072 1 169 . 1 1 20 20 ILE CD1 C 13 15.568 0.300 . 1 . . . . 20 ILE CD1 . 10072 1 170 . 1 1 20 20 ILE N N 15 127.405 0.300 . 1 . . . . 20 ILE N . 10072 1 171 . 1 1 21 21 GLY H H 1 8.485 0.030 . 1 . . . . 21 GLY H . 10072 1 172 . 1 1 21 21 GLY HA2 H 1 4.294 0.030 . 2 . . . . 21 GLY HA2 . 10072 1 173 . 1 1 21 21 GLY HA3 H 1 3.725 0.030 . 2 . . . . 21 GLY HA3 . 10072 1 174 . 1 1 21 21 GLY C C 13 173.909 0.300 . 1 . . . . 21 GLY C . 10072 1 175 . 1 1 21 21 GLY CA C 13 44.182 0.300 . 1 . . . . 21 GLY CA . 10072 1 176 . 1 1 21 21 GLY N N 15 113.224 0.300 . 1 . . . . 21 GLY N . 10072 1 177 . 1 1 22 22 ASN H H 1 8.782 0.030 . 1 . . . . 22 ASN H . 10072 1 178 . 1 1 22 22 ASN HA H 1 4.414 0.030 . 1 . . . . 22 ASN HA . 10072 1 179 . 1 1 22 22 ASN HB2 H 1 3.819 0.030 . 2 . . . . 22 ASN HB2 . 10072 1 180 . 1 1 22 22 ASN HB3 H 1 2.514 0.030 . 2 . . . . 22 ASN HB3 . 10072 1 181 . 1 1 22 22 ASN HD21 H 1 8.371 0.030 . 2 . . . . 22 ASN HD21 . 10072 1 182 . 1 1 22 22 ASN HD22 H 1 6.771 0.030 . 2 . . . . 22 ASN HD22 . 10072 1 183 . 1 1 22 22 ASN C C 13 174.267 0.300 . 1 . . . . 22 ASN C . 10072 1 184 . 1 1 22 22 ASN CA C 13 53.705 0.300 . 1 . . . . 22 ASN CA . 10072 1 185 . 1 1 22 22 ASN CB C 13 38.242 0.300 . 1 . . . . 22 ASN CB . 10072 1 186 . 1 1 22 22 ASN N N 15 117.746 0.300 . 1 . . . . 22 ASN N . 10072 1 187 . 1 1 22 22 ASN ND2 N 15 112.302 0.300 . 1 . . . . 22 ASN ND2 . 10072 1 188 . 1 1 23 23 LEU H H 1 7.341 0.030 . 1 . . . . 23 LEU H . 10072 1 189 . 1 1 23 23 LEU HA H 1 4.009 0.030 . 1 . . . . 23 LEU HA . 10072 1 190 . 1 1 23 23 LEU HB2 H 1 1.289 0.030 . 2 . . . . 23 LEU HB2 . 10072 1 191 . 1 1 23 23 LEU HB3 H 1 0.830 0.030 . 2 . . . . 23 LEU HB3 . 10072 1 192 . 1 1 23 23 LEU HG H 1 0.971 0.030 . 1 . . . . 23 LEU HG . 10072 1 193 . 1 1 23 23 LEU HD11 H 1 0.424 0.030 . 1 . . . . 23 LEU HD1 . 10072 1 194 . 1 1 23 23 LEU HD12 H 1 0.424 0.030 . 1 . . . . 23 LEU HD1 . 10072 1 195 . 1 1 23 23 LEU HD13 H 1 0.424 0.030 . 1 . . . . 23 LEU HD1 . 10072 1 196 . 1 1 23 23 LEU HD21 H 1 0.727 0.030 . 1 . . . . 23 LEU HD2 . 10072 1 197 . 1 1 23 23 LEU HD22 H 1 0.727 0.030 . 1 . . . . 23 LEU HD2 . 10072 1 198 . 1 1 23 23 LEU HD23 H 1 0.727 0.030 . 1 . . . . 23 LEU HD2 . 10072 1 199 . 1 1 23 23 LEU C C 13 176.505 0.300 . 1 . . . . 23 LEU C . 10072 1 200 . 1 1 23 23 LEU CA C 13 52.719 0.300 . 1 . . . . 23 LEU CA . 10072 1 201 . 1 1 23 23 LEU CB C 13 44.587 0.300 . 1 . . . . 23 LEU CB . 10072 1 202 . 1 1 23 23 LEU CG C 13 26.493 0.300 . 1 . . . . 23 LEU CG . 10072 1 203 . 1 1 23 23 LEU CD1 C 13 27.089 0.300 . 2 . . . . 23 LEU CD1 . 10072 1 204 . 1 1 23 23 LEU CD2 C 13 22.882 0.300 . 2 . . . . 23 LEU CD2 . 10072 1 205 . 1 1 23 23 LEU N N 15 118.639 0.300 . 1 . . . . 23 LEU N . 10072 1 206 . 1 1 24 24 ASN H H 1 8.991 0.030 . 1 . . . . 24 ASN H . 10072 1 207 . 1 1 24 24 ASN HA H 1 4.819 0.030 . 1 . . . . 24 ASN HA . 10072 1 208 . 1 1 24 24 ASN HB2 H 1 3.142 0.030 . 2 . . . . 24 ASN HB2 . 10072 1 209 . 1 1 24 24 ASN HB3 H 1 2.485 0.030 . 2 . . . . 24 ASN HB3 . 10072 1 210 . 1 1 24 24 ASN HD21 H 1 7.120 0.030 . 2 . . . . 24 ASN HD21 . 10072 1 211 . 1 1 24 24 ASN HD22 H 1 7.973 0.030 . 2 . . . . 24 ASN HD22 . 10072 1 212 . 1 1 24 24 ASN C C 13 175.924 0.300 . 1 . . . . 24 ASN C . 10072 1 213 . 1 1 24 24 ASN CA C 13 51.748 0.300 . 1 . . . . 24 ASN CA . 10072 1 214 . 1 1 24 24 ASN CB C 13 35.712 0.300 . 1 . . . . 24 ASN CB . 10072 1 215 . 1 1 24 24 ASN N N 15 123.895 0.300 . 1 . . . . 24 ASN N . 10072 1 216 . 1 1 24 24 ASN ND2 N 15 110.123 0.300 . 1 . . . . 24 ASN ND2 . 10072 1 217 . 1 1 25 25 THR H H 1 8.235 0.030 . 1 . . . . 25 THR H . 10072 1 218 . 1 1 25 25 THR HA H 1 4.309 0.030 . 1 . . . . 25 THR HA . 10072 1 219 . 1 1 25 25 THR HB H 1 4.644 0.030 . 1 . . . . 25 THR HB . 10072 1 220 . 1 1 25 25 THR HG21 H 1 1.120 0.030 . 1 . . . . 25 THR HG2 . 10072 1 221 . 1 1 25 25 THR HG22 H 1 1.120 0.030 . 1 . . . . 25 THR HG2 . 10072 1 222 . 1 1 25 25 THR HG23 H 1 1.120 0.030 . 1 . . . . 25 THR HG2 . 10072 1 223 . 1 1 25 25 THR C C 13 175.113 0.300 . 1 . . . . 25 THR C . 10072 1 224 . 1 1 25 25 THR CA C 13 63.460 0.300 . 1 . . . . 25 THR CA . 10072 1 225 . 1 1 25 25 THR CB C 13 67.536 0.300 . 1 . . . . 25 THR CB . 10072 1 226 . 1 1 25 25 THR CG2 C 13 22.481 0.300 . 1 . . . . 25 THR CG2 . 10072 1 227 . 1 1 25 25 THR N N 15 117.830 0.300 . 1 . . . . 25 THR N . 10072 1 228 . 1 1 26 26 LEU H H 1 7.676 0.030 . 1 . . . . 26 LEU H . 10072 1 229 . 1 1 26 26 LEU HA H 1 4.322 0.030 . 1 . . . . 26 LEU HA . 10072 1 230 . 1 1 26 26 LEU HB2 H 1 1.926 0.030 . 2 . . . . 26 LEU HB2 . 10072 1 231 . 1 1 26 26 LEU HB3 H 1 1.615 0.030 . 2 . . . . 26 LEU HB3 . 10072 1 232 . 1 1 26 26 LEU HG H 1 1.684 0.030 . 1 . . . . 26 LEU HG . 10072 1 233 . 1 1 26 26 LEU HD11 H 1 0.946 0.030 . 1 . . . . 26 LEU HD1 . 10072 1 234 . 1 1 26 26 LEU HD12 H 1 0.946 0.030 . 1 . . . . 26 LEU HD1 . 10072 1 235 . 1 1 26 26 LEU HD13 H 1 0.946 0.030 . 1 . . . . 26 LEU HD1 . 10072 1 236 . 1 1 26 26 LEU HD21 H 1 0.896 0.030 . 1 . . . . 26 LEU HD2 . 10072 1 237 . 1 1 26 26 LEU HD22 H 1 0.896 0.030 . 1 . . . . 26 LEU HD2 . 10072 1 238 . 1 1 26 26 LEU HD23 H 1 0.896 0.030 . 1 . . . . 26 LEU HD2 . 10072 1 239 . 1 1 26 26 LEU C C 13 178.249 0.300 . 1 . . . . 26 LEU C . 10072 1 240 . 1 1 26 26 LEU CA C 13 57.297 0.300 . 1 . . . . 26 LEU CA . 10072 1 241 . 1 1 26 26 LEU CB C 13 41.404 0.300 . 1 . . . . 26 LEU CB . 10072 1 242 . 1 1 26 26 LEU CG C 13 27.353 0.300 . 1 . . . . 26 LEU CG . 10072 1 243 . 1 1 26 26 LEU CD1 C 13 24.688 0.300 . 2 . . . . 26 LEU CD1 . 10072 1 244 . 1 1 26 26 LEU CD2 C 13 23.417 0.300 . 2 . . . . 26 LEU CD2 . 10072 1 245 . 1 1 26 26 LEU N N 15 121.137 0.300 . 1 . . . . 26 LEU N . 10072 1 246 . 1 1 27 27 VAL H H 1 6.847 0.030 . 1 . . . . 27 VAL H . 10072 1 247 . 1 1 27 27 VAL HA H 1 4.074 0.030 . 1 . . . . 27 VAL HA . 10072 1 248 . 1 1 27 27 VAL HB H 1 1.756 0.030 . 1 . . . . 27 VAL HB . 10072 1 249 . 1 1 27 27 VAL HG11 H 1 0.867 0.030 . 1 . . . . 27 VAL HG1 . 10072 1 250 . 1 1 27 27 VAL HG12 H 1 0.867 0.030 . 1 . . . . 27 VAL HG1 . 10072 1 251 . 1 1 27 27 VAL HG13 H 1 0.867 0.030 . 1 . . . . 27 VAL HG1 . 10072 1 252 . 1 1 27 27 VAL HG21 H 1 0.865 0.030 . 1 . . . . 27 VAL HG2 . 10072 1 253 . 1 1 27 27 VAL HG22 H 1 0.865 0.030 . 1 . . . . 27 VAL HG2 . 10072 1 254 . 1 1 27 27 VAL HG23 H 1 0.865 0.030 . 1 . . . . 27 VAL HG2 . 10072 1 255 . 1 1 27 27 VAL C C 13 175.284 0.300 . 1 . . . . 27 VAL C . 10072 1 256 . 1 1 27 27 VAL CA C 13 62.973 0.300 . 1 . . . . 27 VAL CA . 10072 1 257 . 1 1 27 27 VAL CB C 13 35.060 0.300 . 1 . . . . 27 VAL CB . 10072 1 258 . 1 1 27 27 VAL CG1 C 13 21.077 0.300 . 1 . . . . 27 VAL CG1 . 10072 1 259 . 1 1 27 27 VAL CG2 C 13 21.077 0.300 . 1 . . . . 27 VAL CG2 . 10072 1 260 . 1 1 27 27 VAL N N 15 114.477 0.300 . 1 . . . . 27 VAL N . 10072 1 261 . 1 1 28 28 VAL H H 1 8.232 0.030 . 1 . . . . 28 VAL H . 10072 1 262 . 1 1 28 28 VAL HA H 1 3.888 0.030 . 1 . . . . 28 VAL HA . 10072 1 263 . 1 1 28 28 VAL HB H 1 1.667 0.030 . 1 . . . . 28 VAL HB . 10072 1 264 . 1 1 28 28 VAL HG11 H 1 0.864 0.030 . 1 . . . . 28 VAL HG1 . 10072 1 265 . 1 1 28 28 VAL HG12 H 1 0.864 0.030 . 1 . . . . 28 VAL HG1 . 10072 1 266 . 1 1 28 28 VAL HG13 H 1 0.864 0.030 . 1 . . . . 28 VAL HG1 . 10072 1 267 . 1 1 28 28 VAL HG21 H 1 0.838 0.030 . 1 . . . . 28 VAL HG2 . 10072 1 268 . 1 1 28 28 VAL HG22 H 1 0.838 0.030 . 1 . . . . 28 VAL HG2 . 10072 1 269 . 1 1 28 28 VAL HG23 H 1 0.838 0.030 . 1 . . . . 28 VAL HG2 . 10072 1 270 . 1 1 28 28 VAL C C 13 174.430 0.300 . 1 . . . . 28 VAL C . 10072 1 271 . 1 1 28 28 VAL CA C 13 63.156 0.300 . 1 . . . . 28 VAL CA . 10072 1 272 . 1 1 28 28 VAL CB C 13 32.016 0.300 . 1 . . . . 28 VAL CB . 10072 1 273 . 1 1 28 28 VAL CG1 C 13 22.612 0.300 . 2 . . . . 28 VAL CG1 . 10072 1 274 . 1 1 28 28 VAL CG2 C 13 21.478 0.300 . 2 . . . . 28 VAL CG2 . 10072 1 275 . 1 1 28 28 VAL N N 15 121.704 0.300 . 1 . . . . 28 VAL N . 10072 1 276 . 1 1 29 29 LYS H H 1 8.923 0.030 . 1 . . . . 29 LYS H . 10072 1 277 . 1 1 29 29 LYS HA H 1 4.579 0.030 . 1 . . . . 29 LYS HA . 10072 1 278 . 1 1 29 29 LYS HB2 H 1 2.068 0.030 . 2 . . . . 29 LYS HB2 . 10072 1 279 . 1 1 29 29 LYS HB3 H 1 1.760 0.030 . 2 . . . . 29 LYS HB3 . 10072 1 280 . 1 1 29 29 LYS HG2 H 1 1.508 0.030 . 2 . . . . 29 LYS HG2 . 10072 1 281 . 1 1 29 29 LYS HG3 H 1 1.440 0.030 . 2 . . . . 29 LYS HG3 . 10072 1 282 . 1 1 29 29 LYS HD2 H 1 1.664 0.030 . 2 . . . . 29 LYS HD2 . 10072 1 283 . 1 1 29 29 LYS HD3 H 1 1.626 0.030 . 2 . . . . 29 LYS HD3 . 10072 1 284 . 1 1 29 29 LYS HE2 H 1 2.956 0.030 . 1 . . . . 29 LYS HE2 . 10072 1 285 . 1 1 29 29 LYS HE3 H 1 2.956 0.030 . 1 . . . . 29 LYS HE3 . 10072 1 286 . 1 1 29 29 LYS C C 13 178.045 0.300 . 1 . . . . 29 LYS C . 10072 1 287 . 1 1 29 29 LYS CA C 13 53.832 0.300 . 1 . . . . 29 LYS CA . 10072 1 288 . 1 1 29 29 LYS CB C 13 34.395 0.300 . 1 . . . . 29 LYS CB . 10072 1 289 . 1 1 29 29 LYS CG C 13 24.532 0.300 . 1 . . . . 29 LYS CG . 10072 1 290 . 1 1 29 29 LYS CD C 13 28.475 0.300 . 1 . . . . 29 LYS CD . 10072 1 291 . 1 1 29 29 LYS CE C 13 41.863 0.300 . 1 . . . . 29 LYS CE . 10072 1 292 . 1 1 29 29 LYS N N 15 124.399 0.300 . 1 . . . . 29 LYS N . 10072 1 293 . 1 1 30 30 LYS HA H 1 3.625 0.030 . 1 . . . . 30 LYS HA . 10072 1 294 . 1 1 30 30 LYS HB2 H 1 1.852 0.030 . 2 . . . . 30 LYS HB2 . 10072 1 295 . 1 1 30 30 LYS HB3 H 1 1.795 0.030 . 2 . . . . 30 LYS HB3 . 10072 1 296 . 1 1 30 30 LYS HG2 H 1 1.275 0.030 . 1 . . . . 30 LYS HG2 . 10072 1 297 . 1 1 30 30 LYS HG3 H 1 1.275 0.030 . 1 . . . . 30 LYS HG3 . 10072 1 298 . 1 1 30 30 LYS HD2 H 1 1.687 0.030 . 2 . . . . 30 LYS HD2 . 10072 1 299 . 1 1 30 30 LYS HD3 H 1 1.621 0.030 . 2 . . . . 30 LYS HD3 . 10072 1 300 . 1 1 30 30 LYS HE2 H 1 3.014 0.030 . 1 . . . . 30 LYS HE2 . 10072 1 301 . 1 1 30 30 LYS HE3 H 1 3.014 0.030 . 1 . . . . 30 LYS HE3 . 10072 1 302 . 1 1 30 30 LYS C C 13 177.803 0.300 . 1 . . . . 30 LYS C . 10072 1 303 . 1 1 30 30 LYS CA C 13 61.447 0.300 . 1 . . . . 30 LYS CA . 10072 1 304 . 1 1 30 30 LYS CB C 13 32.365 0.300 . 1 . . . . 30 LYS CB . 10072 1 305 . 1 1 30 30 LYS CG C 13 24.688 0.300 . 1 . . . . 30 LYS CG . 10072 1 306 . 1 1 30 30 LYS CD C 13 29.932 0.300 . 1 . . . . 30 LYS CD . 10072 1 307 . 1 1 30 30 LYS CE C 13 42.141 0.300 . 1 . . . . 30 LYS CE . 10072 1 308 . 1 1 31 31 SER H H 1 8.526 0.030 . 1 . . . . 31 SER H . 10072 1 309 . 1 1 31 31 SER HA H 1 4.287 0.030 . 1 . . . . 31 SER HA . 10072 1 310 . 1 1 31 31 SER HB2 H 1 3.908 0.030 . 2 . . . . 31 SER HB2 . 10072 1 311 . 1 1 31 31 SER HB3 H 1 3.846 0.030 . 2 . . . . 31 SER HB3 . 10072 1 312 . 1 1 31 31 SER C C 13 177.685 0.300 . 1 . . . . 31 SER C . 10072 1 313 . 1 1 31 31 SER CA C 13 61.166 0.300 . 1 . . . . 31 SER CA . 10072 1 314 . 1 1 31 31 SER CB C 13 61.667 0.300 . 1 . . . . 31 SER CB . 10072 1 315 . 1 1 31 31 SER N N 15 111.079 0.300 . 1 . . . . 31 SER N . 10072 1 316 . 1 1 32 32 ASP H H 1 7.185 0.030 . 1 . . . . 32 ASP H . 10072 1 317 . 1 1 32 32 ASP HA H 1 4.530 0.030 . 1 . . . . 32 ASP HA . 10072 1 318 . 1 1 32 32 ASP HB2 H 1 3.171 0.030 . 2 . . . . 32 ASP HB2 . 10072 1 319 . 1 1 32 32 ASP HB3 H 1 2.674 0.030 . 2 . . . . 32 ASP HB3 . 10072 1 320 . 1 1 32 32 ASP C C 13 178.291 0.300 . 1 . . . . 32 ASP C . 10072 1 321 . 1 1 32 32 ASP CA C 13 57.285 0.300 . 1 . . . . 32 ASP CA . 10072 1 322 . 1 1 32 32 ASP CB C 13 41.693 0.300 . 1 . . . . 32 ASP CB . 10072 1 323 . 1 1 32 32 ASP N N 15 122.323 0.300 . 1 . . . . 32 ASP N . 10072 1 324 . 1 1 33 33 VAL H H 1 7.760 0.030 . 1 . . . . 33 VAL H . 10072 1 325 . 1 1 33 33 VAL HA H 1 3.504 0.030 . 1 . . . . 33 VAL HA . 10072 1 326 . 1 1 33 33 VAL HB H 1 2.202 0.030 . 1 . . . . 33 VAL HB . 10072 1 327 . 1 1 33 33 VAL HG11 H 1 0.602 0.030 . 1 . . . . 33 VAL HG1 . 10072 1 328 . 1 1 33 33 VAL HG12 H 1 0.602 0.030 . 1 . . . . 33 VAL HG1 . 10072 1 329 . 1 1 33 33 VAL HG13 H 1 0.602 0.030 . 1 . . . . 33 VAL HG1 . 10072 1 330 . 1 1 33 33 VAL HG21 H 1 0.722 0.030 . 1 . . . . 33 VAL HG2 . 10072 1 331 . 1 1 33 33 VAL HG22 H 1 0.722 0.030 . 1 . . . . 33 VAL HG2 . 10072 1 332 . 1 1 33 33 VAL HG23 H 1 0.722 0.030 . 1 . . . . 33 VAL HG2 . 10072 1 333 . 1 1 33 33 VAL C C 13 178.641 0.300 . 1 . . . . 33 VAL C . 10072 1 334 . 1 1 33 33 VAL CA C 13 67.279 0.300 . 1 . . . . 33 VAL CA . 10072 1 335 . 1 1 33 33 VAL CB C 13 31.351 0.300 . 1 . . . . 33 VAL CB . 10072 1 336 . 1 1 33 33 VAL CG1 C 13 22.787 0.300 . 2 . . . . 33 VAL CG1 . 10072 1 337 . 1 1 33 33 VAL CG2 C 13 23.572 0.300 . 2 . . . . 33 VAL CG2 . 10072 1 338 . 1 1 33 33 VAL N N 15 119.968 0.300 . 1 . . . . 33 VAL N . 10072 1 339 . 1 1 34 34 GLU H H 1 8.619 0.030 . 1 . . . . 34 GLU H . 10072 1 340 . 1 1 34 34 GLU HA H 1 3.742 0.030 . 1 . . . . 34 GLU HA . 10072 1 341 . 1 1 34 34 GLU HB2 H 1 2.091 0.030 . 2 . . . . 34 GLU HB2 . 10072 1 342 . 1 1 34 34 GLU HB3 H 1 2.013 0.030 . 2 . . . . 34 GLU HB3 . 10072 1 343 . 1 1 34 34 GLU HG2 H 1 2.486 0.030 . 2 . . . . 34 GLU HG2 . 10072 1 344 . 1 1 34 34 GLU HG3 H 1 1.980 0.030 . 2 . . . . 34 GLU HG3 . 10072 1 345 . 1 1 34 34 GLU C C 13 178.692 0.300 . 1 . . . . 34 GLU C . 10072 1 346 . 1 1 34 34 GLU CA C 13 60.521 0.300 . 1 . . . . 34 GLU CA . 10072 1 347 . 1 1 34 34 GLU CB C 13 29.532 0.300 . 1 . . . . 34 GLU CB . 10072 1 348 . 1 1 34 34 GLU CG C 13 37.967 0.300 . 1 . . . . 34 GLU CG . 10072 1 349 . 1 1 34 34 GLU N N 15 119.016 0.300 . 1 . . . . 34 GLU N . 10072 1 350 . 1 1 35 35 ALA H H 1 7.830 0.030 . 1 . . . . 35 ALA H . 10072 1 351 . 1 1 35 35 ALA HA H 1 4.135 0.030 . 1 . . . . 35 ALA HA . 10072 1 352 . 1 1 35 35 ALA HB1 H 1 1.583 0.030 . 1 . . . . 35 ALA HB . 10072 1 353 . 1 1 35 35 ALA HB2 H 1 1.583 0.030 . 1 . . . . 35 ALA HB . 10072 1 354 . 1 1 35 35 ALA HB3 H 1 1.583 0.030 . 1 . . . . 35 ALA HB . 10072 1 355 . 1 1 35 35 ALA C C 13 180.409 0.300 . 1 . . . . 35 ALA C . 10072 1 356 . 1 1 35 35 ALA CA C 13 55.467 0.300 . 1 . . . . 35 ALA CA . 10072 1 357 . 1 1 35 35 ALA CB C 13 18.108 0.300 . 1 . . . . 35 ALA CB . 10072 1 358 . 1 1 35 35 ALA N N 15 121.328 0.300 . 1 . . . . 35 ALA N . 10072 1 359 . 1 1 36 36 ILE H H 1 7.671 0.030 . 1 . . . . 36 ILE H . 10072 1 360 . 1 1 36 36 ILE HA H 1 3.673 0.030 . 1 . . . . 36 ILE HA . 10072 1 361 . 1 1 36 36 ILE HB H 1 1.701 0.030 . 1 . . . . 36 ILE HB . 10072 1 362 . 1 1 36 36 ILE HG12 H 1 0.949 0.030 . 2 . . . . 36 ILE HG12 . 10072 1 363 . 1 1 36 36 ILE HG13 H 1 1.868 0.030 . 2 . . . . 36 ILE HG13 . 10072 1 364 . 1 1 36 36 ILE HG21 H 1 0.133 0.030 . 1 . . . . 36 ILE HG2 . 10072 1 365 . 1 1 36 36 ILE HG22 H 1 0.133 0.030 . 1 . . . . 36 ILE HG2 . 10072 1 366 . 1 1 36 36 ILE HG23 H 1 0.133 0.030 . 1 . . . . 36 ILE HG2 . 10072 1 367 . 1 1 36 36 ILE HD11 H 1 0.764 0.030 . 1 . . . . 36 ILE HD1 . 10072 1 368 . 1 1 36 36 ILE HD12 H 1 0.764 0.030 . 1 . . . . 36 ILE HD1 . 10072 1 369 . 1 1 36 36 ILE HD13 H 1 0.764 0.030 . 1 . . . . 36 ILE HD1 . 10072 1 370 . 1 1 36 36 ILE C C 13 178.615 0.300 . 1 . . . . 36 ILE C . 10072 1 371 . 1 1 36 36 ILE CA C 13 64.674 0.300 . 1 . . . . 36 ILE CA . 10072 1 372 . 1 1 36 36 ILE CB C 13 39.704 0.300 . 1 . . . . 36 ILE CB . 10072 1 373 . 1 1 36 36 ILE CG1 C 13 28.499 0.300 . 1 . . . . 36 ILE CG1 . 10072 1 374 . 1 1 36 36 ILE CG2 C 13 16.749 0.300 . 1 . . . . 36 ILE CG2 . 10072 1 375 . 1 1 36 36 ILE CD1 C 13 13.301 0.300 . 1 . . . . 36 ILE CD1 . 10072 1 376 . 1 1 36 36 ILE N N 15 116.938 0.300 . 1 . . . . 36 ILE N . 10072 1 377 . 1 1 37 37 PHE H H 1 8.520 0.030 . 1 . . . . 37 PHE H . 10072 1 378 . 1 1 37 37 PHE HA H 1 4.363 0.030 . 1 . . . . 37 PHE HA . 10072 1 379 . 1 1 37 37 PHE HB2 H 1 3.774 0.030 . 2 . . . . 37 PHE HB2 . 10072 1 380 . 1 1 37 37 PHE HB3 H 1 2.856 0.030 . 2 . . . . 37 PHE HB3 . 10072 1 381 . 1 1 37 37 PHE HD1 H 1 7.964 0.030 . 1 . . . . 37 PHE HD1 . 10072 1 382 . 1 1 37 37 PHE HD2 H 1 7.964 0.030 . 1 . . . . 37 PHE HD2 . 10072 1 383 . 1 1 37 37 PHE HE1 H 1 6.934 0.030 . 1 . . . . 37 PHE HE1 . 10072 1 384 . 1 1 37 37 PHE HE2 H 1 6.934 0.030 . 1 . . . . 37 PHE HE2 . 10072 1 385 . 1 1 37 37 PHE HZ H 1 7.052 0.030 . 1 . . . . 37 PHE HZ . 10072 1 386 . 1 1 37 37 PHE C C 13 179.632 0.300 . 1 . . . . 37 PHE C . 10072 1 387 . 1 1 37 37 PHE CA C 13 62.913 0.300 . 1 . . . . 37 PHE CA . 10072 1 388 . 1 1 37 37 PHE CB C 13 37.107 0.300 . 1 . . . . 37 PHE CB . 10072 1 389 . 1 1 37 37 PHE CD1 C 13 132.134 0.300 . 1 . . . . 37 PHE CD1 . 10072 1 390 . 1 1 37 37 PHE CD2 C 13 132.134 0.300 . 1 . . . . 37 PHE CD2 . 10072 1 391 . 1 1 37 37 PHE CE1 C 13 130.328 0.300 . 1 . . . . 37 PHE CE1 . 10072 1 392 . 1 1 37 37 PHE CE2 C 13 130.328 0.300 . 1 . . . . 37 PHE CE2 . 10072 1 393 . 1 1 37 37 PHE CZ C 13 129.019 0.300 . 1 . . . . 37 PHE CZ . 10072 1 394 . 1 1 37 37 PHE N N 15 113.591 0.300 . 1 . . . . 37 PHE N . 10072 1 395 . 1 1 38 38 SER H H 1 8.890 0.030 . 1 . . . . 38 SER H . 10072 1 396 . 1 1 38 38 SER HA H 1 4.821 0.030 . 1 . . . . 38 SER HA . 10072 1 397 . 1 1 38 38 SER HB2 H 1 4.231 0.030 . 2 . . . . 38 SER HB2 . 10072 1 398 . 1 1 38 38 SER HB3 H 1 4.117 0.030 . 2 . . . . 38 SER HB3 . 10072 1 399 . 1 1 38 38 SER C C 13 175.130 0.300 . 1 . . . . 38 SER C . 10072 1 400 . 1 1 38 38 SER CA C 13 61.427 0.300 . 1 . . . . 38 SER CA . 10072 1 401 . 1 1 38 38 SER CB C 13 62.797 0.300 . 1 . . . . 38 SER CB . 10072 1 402 . 1 1 38 38 SER N N 15 121.621 0.300 . 1 . . . . 38 SER N . 10072 1 403 . 1 1 39 39 LYS H H 1 7.022 0.030 . 1 . . . . 39 LYS H . 10072 1 404 . 1 1 39 39 LYS HA H 1 3.966 0.030 . 1 . . . . 39 LYS HA . 10072 1 405 . 1 1 39 39 LYS HB2 H 1 1.441 0.030 . 2 . . . . 39 LYS HB2 . 10072 1 406 . 1 1 39 39 LYS HB3 H 1 1.255 0.030 . 2 . . . . 39 LYS HB3 . 10072 1 407 . 1 1 39 39 LYS HG2 H 1 0.965 0.030 . 2 . . . . 39 LYS HG2 . 10072 1 408 . 1 1 39 39 LYS HG3 H 1 0.818 0.030 . 2 . . . . 39 LYS HG3 . 10072 1 409 . 1 1 39 39 LYS HD2 H 1 1.457 0.030 . 1 . . . . 39 LYS HD2 . 10072 1 410 . 1 1 39 39 LYS HD3 H 1 1.457 0.030 . 1 . . . . 39 LYS HD3 . 10072 1 411 . 1 1 39 39 LYS HE2 H 1 2.827 0.030 . 2 . . . . 39 LYS HE2 . 10072 1 412 . 1 1 39 39 LYS HE3 H 1 2.768 0.030 . 2 . . . . 39 LYS HE3 . 10072 1 413 . 1 1 39 39 LYS C C 13 177.138 0.300 . 1 . . . . 39 LYS C . 10072 1 414 . 1 1 39 39 LYS CA C 13 58.286 0.300 . 1 . . . . 39 LYS CA . 10072 1 415 . 1 1 39 39 LYS CB C 13 31.610 0.300 . 1 . . . . 39 LYS CB . 10072 1 416 . 1 1 39 39 LYS CG C 13 23.585 0.300 . 1 . . . . 39 LYS CG . 10072 1 417 . 1 1 39 39 LYS CD C 13 28.938 0.300 . 1 . . . . 39 LYS CD . 10072 1 418 . 1 1 39 39 LYS CE C 13 41.631 0.300 . 1 . . . . 39 LYS CE . 10072 1 419 . 1 1 39 39 LYS N N 15 119.305 0.300 . 1 . . . . 39 LYS N . 10072 1 420 . 1 1 40 40 TYR H H 1 6.951 0.030 . 1 . . . . 40 TYR H . 10072 1 421 . 1 1 40 40 TYR HA H 1 4.249 0.030 . 1 . . . . 40 TYR HA . 10072 1 422 . 1 1 40 40 TYR HB2 H 1 3.329 0.030 . 2 . . . . 40 TYR HB2 . 10072 1 423 . 1 1 40 40 TYR HB3 H 1 2.628 0.030 . 2 . . . . 40 TYR HB3 . 10072 1 424 . 1 1 40 40 TYR HD1 H 1 7.145 0.030 . 1 . . . . 40 TYR HD1 . 10072 1 425 . 1 1 40 40 TYR HD2 H 1 7.145 0.030 . 1 . . . . 40 TYR HD2 . 10072 1 426 . 1 1 40 40 TYR HE1 H 1 6.653 0.030 . 1 . . . . 40 TYR HE1 . 10072 1 427 . 1 1 40 40 TYR HE2 H 1 6.653 0.030 . 1 . . . . 40 TYR HE2 . 10072 1 428 . 1 1 40 40 TYR C C 13 174.704 0.300 . 1 . . . . 40 TYR C . 10072 1 429 . 1 1 40 40 TYR CA C 13 59.024 0.300 . 1 . . . . 40 TYR CA . 10072 1 430 . 1 1 40 40 TYR CB C 13 38.341 0.300 . 1 . . . . 40 TYR CB . 10072 1 431 . 1 1 40 40 TYR CD1 C 13 132.735 0.300 . 1 . . . . 40 TYR CD1 . 10072 1 432 . 1 1 40 40 TYR CD2 C 13 132.735 0.300 . 1 . . . . 40 TYR CD2 . 10072 1 433 . 1 1 40 40 TYR CE1 C 13 119.378 0.300 . 1 . . . . 40 TYR CE1 . 10072 1 434 . 1 1 40 40 TYR CE2 C 13 119.378 0.300 . 1 . . . . 40 TYR CE2 . 10072 1 435 . 1 1 40 40 TYR N N 15 114.337 0.300 . 1 . . . . 40 TYR N . 10072 1 436 . 1 1 41 41 GLY H H 1 7.413 0.030 . 1 . . . . 41 GLY H . 10072 1 437 . 1 1 41 41 GLY HA2 H 1 4.417 0.030 . 2 . . . . 41 GLY HA2 . 10072 1 438 . 1 1 41 41 GLY HA3 H 1 3.886 0.030 . 2 . . . . 41 GLY HA3 . 10072 1 439 . 1 1 41 41 GLY C C 13 170.510 0.300 . 1 . . . . 41 GLY C . 10072 1 440 . 1 1 41 41 GLY CA C 13 44.535 0.300 . 1 . . . . 41 GLY CA . 10072 1 441 . 1 1 41 41 GLY N N 15 106.468 0.300 . 1 . . . . 41 GLY N . 10072 1 442 . 1 1 42 42 LYS H H 1 7.999 0.030 . 1 . . . . 42 LYS H . 10072 1 443 . 1 1 42 42 LYS HA H 1 4.203 0.030 . 1 . . . . 42 LYS HA . 10072 1 444 . 1 1 42 42 LYS HB2 H 1 1.839 0.030 . 2 . . . . 42 LYS HB2 . 10072 1 445 . 1 1 42 42 LYS HB3 H 1 1.778 0.030 . 2 . . . . 42 LYS HB3 . 10072 1 446 . 1 1 42 42 LYS HG2 H 1 1.417 0.030 . 2 . . . . 42 LYS HG2 . 10072 1 447 . 1 1 42 42 LYS HG3 H 1 1.246 0.030 . 2 . . . . 42 LYS HG3 . 10072 1 448 . 1 1 42 42 LYS HD2 H 1 1.729 0.030 . 1 . . . . 42 LYS HD2 . 10072 1 449 . 1 1 42 42 LYS HD3 H 1 1.729 0.030 . 1 . . . . 42 LYS HD3 . 10072 1 450 . 1 1 42 42 LYS HE2 H 1 2.984 0.030 . 1 . . . . 42 LYS HE2 . 10072 1 451 . 1 1 42 42 LYS HE3 H 1 2.984 0.030 . 1 . . . . 42 LYS HE3 . 10072 1 452 . 1 1 42 42 LYS C C 13 176.488 0.300 . 1 . . . . 42 LYS C . 10072 1 453 . 1 1 42 42 LYS CA C 13 57.157 0.300 . 1 . . . . 42 LYS CA . 10072 1 454 . 1 1 42 42 LYS CB C 13 32.995 0.300 . 1 . . . . 42 LYS CB . 10072 1 455 . 1 1 42 42 LYS CG C 13 24.804 0.300 . 1 . . . . 42 LYS CG . 10072 1 456 . 1 1 42 42 LYS CD C 13 29.387 0.300 . 1 . . . . 42 LYS CD . 10072 1 457 . 1 1 42 42 LYS CE C 13 42.141 0.300 . 1 . . . . 42 LYS CE . 10072 1 458 . 1 1 42 42 LYS N N 15 117.907 0.300 . 1 . . . . 42 LYS N . 10072 1 459 . 1 1 43 43 ILE H H 1 8.643 0.030 . 1 . . . . 43 ILE H . 10072 1 460 . 1 1 43 43 ILE HA H 1 4.068 0.030 . 1 . . . . 43 ILE HA . 10072 1 461 . 1 1 43 43 ILE HB H 1 1.721 0.030 . 1 . . . . 43 ILE HB . 10072 1 462 . 1 1 43 43 ILE HG12 H 1 1.805 0.030 . 2 . . . . 43 ILE HG12 . 10072 1 463 . 1 1 43 43 ILE HG13 H 1 0.484 0.030 . 2 . . . . 43 ILE HG13 . 10072 1 464 . 1 1 43 43 ILE HG21 H 1 0.649 0.030 . 1 . . . . 43 ILE HG2 . 10072 1 465 . 1 1 43 43 ILE HG22 H 1 0.649 0.030 . 1 . . . . 43 ILE HG2 . 10072 1 466 . 1 1 43 43 ILE HG23 H 1 0.649 0.030 . 1 . . . . 43 ILE HG2 . 10072 1 467 . 1 1 43 43 ILE HD11 H 1 0.746 0.030 . 1 . . . . 43 ILE HD1 . 10072 1 468 . 1 1 43 43 ILE HD12 H 1 0.746 0.030 . 1 . . . . 43 ILE HD1 . 10072 1 469 . 1 1 43 43 ILE HD13 H 1 0.746 0.030 . 1 . . . . 43 ILE HD1 . 10072 1 470 . 1 1 43 43 ILE C C 13 177.112 0.300 . 1 . . . . 43 ILE C . 10072 1 471 . 1 1 43 43 ILE CA C 13 61.033 0.300 . 1 . . . . 43 ILE CA . 10072 1 472 . 1 1 43 43 ILE CB C 13 38.716 0.300 . 1 . . . . 43 ILE CB . 10072 1 473 . 1 1 43 43 ILE CG1 C 13 27.424 0.300 . 1 . . . . 43 ILE CG1 . 10072 1 474 . 1 1 43 43 ILE CG2 C 13 17.867 0.300 . 1 . . . . 43 ILE CG2 . 10072 1 475 . 1 1 43 43 ILE CD1 C 13 14.056 0.300 . 1 . . . . 43 ILE CD1 . 10072 1 476 . 1 1 43 43 ILE N N 15 126.941 0.300 . 1 . . . . 43 ILE N . 10072 1 477 . 1 1 44 44 VAL H H 1 8.807 0.030 . 1 . . . . 44 VAL H . 10072 1 478 . 1 1 44 44 VAL HA H 1 4.141 0.030 . 1 . . . . 44 VAL HA . 10072 1 479 . 1 1 44 44 VAL HB H 1 1.928 0.030 . 1 . . . . 44 VAL HB . 10072 1 480 . 1 1 44 44 VAL HG11 H 1 0.820 0.030 . 1 . . . . 44 VAL HG1 . 10072 1 481 . 1 1 44 44 VAL HG12 H 1 0.820 0.030 . 1 . . . . 44 VAL HG1 . 10072 1 482 . 1 1 44 44 VAL HG13 H 1 0.820 0.030 . 1 . . . . 44 VAL HG1 . 10072 1 483 . 1 1 44 44 VAL HG21 H 1 0.690 0.030 . 1 . . . . 44 VAL HG2 . 10072 1 484 . 1 1 44 44 VAL HG22 H 1 0.690 0.030 . 1 . . . . 44 VAL HG2 . 10072 1 485 . 1 1 44 44 VAL HG23 H 1 0.690 0.030 . 1 . . . . 44 VAL HG2 . 10072 1 486 . 1 1 44 44 VAL C C 13 176.232 0.300 . 1 . . . . 44 VAL C . 10072 1 487 . 1 1 44 44 VAL CA C 13 62.336 0.300 . 1 . . . . 44 VAL CA . 10072 1 488 . 1 1 44 44 VAL CB C 13 32.230 0.300 . 1 . . . . 44 VAL CB . 10072 1 489 . 1 1 44 44 VAL CG1 C 13 21.378 0.300 . 2 . . . . 44 VAL CG1 . 10072 1 490 . 1 1 44 44 VAL CG2 C 13 20.490 0.300 . 2 . . . . 44 VAL CG2 . 10072 1 491 . 1 1 44 44 VAL N N 15 124.971 0.300 . 1 . . . . 44 VAL N . 10072 1 492 . 1 1 45 45 GLY H H 1 7.241 0.030 . 1 . . . . 45 GLY H . 10072 1 493 . 1 1 45 45 GLY HA2 H 1 3.870 0.030 . 2 . . . . 45 GLY HA2 . 10072 1 494 . 1 1 45 45 GLY HA3 H 1 4.155 0.030 . 2 . . . . 45 GLY HA3 . 10072 1 495 . 1 1 45 45 GLY C C 13 170.825 0.300 . 1 . . . . 45 GLY C . 10072 1 496 . 1 1 45 45 GLY CA C 13 45.551 0.300 . 1 . . . . 45 GLY CA . 10072 1 497 . 1 1 45 45 GLY N N 15 107.873 0.300 . 1 . . . . 45 GLY N . 10072 1 498 . 1 1 46 46 CYS HA H 1 5.123 0.030 . 1 . . . . 46 CYS HA . 10072 1 499 . 1 1 46 46 CYS HB2 H 1 2.912 0.030 . 2 . . . . 46 CYS HB2 . 10072 1 500 . 1 1 46 46 CYS HB3 H 1 2.629 0.030 . 2 . . . . 46 CYS HB3 . 10072 1 501 . 1 1 46 46 CYS C C 13 172.497 0.300 . 1 . . . . 46 CYS C . 10072 1 502 . 1 1 46 46 CYS CA C 13 57.457 0.300 . 1 . . . . 46 CYS CA . 10072 1 503 . 1 1 46 46 CYS CB C 13 28.610 0.300 . 1 . . . . 46 CYS CB . 10072 1 504 . 1 1 47 47 SER H H 1 8.767 0.030 . 1 . . . . 47 SER H . 10072 1 505 . 1 1 47 47 SER HA H 1 4.712 0.030 . 1 . . . . 47 SER HA . 10072 1 506 . 1 1 47 47 SER HB2 H 1 3.771 0.030 . 2 . . . . 47 SER HB2 . 10072 1 507 . 1 1 47 47 SER HB3 H 1 3.710 0.030 . 2 . . . . 47 SER HB3 . 10072 1 508 . 1 1 47 47 SER C C 13 171.962 0.300 . 1 . . . . 47 SER C . 10072 1 509 . 1 1 47 47 SER CA C 13 57.041 0.300 . 1 . . . . 47 SER CA . 10072 1 510 . 1 1 47 47 SER CB C 13 65.097 0.300 . 1 . . . . 47 SER CB . 10072 1 511 . 1 1 47 47 SER N N 15 122.143 0.300 . 1 . . . . 47 SER N . 10072 1 512 . 1 1 48 48 VAL H H 1 8.496 0.030 . 1 . . . . 48 VAL H . 10072 1 513 . 1 1 48 48 VAL HA H 1 4.048 0.030 . 1 . . . . 48 VAL HA . 10072 1 514 . 1 1 48 48 VAL HB H 1 1.867 0.030 . 1 . . . . 48 VAL HB . 10072 1 515 . 1 1 48 48 VAL HG11 H 1 0.934 0.030 . 1 . . . . 48 VAL HG1 . 10072 1 516 . 1 1 48 48 VAL HG12 H 1 0.934 0.030 . 1 . . . . 48 VAL HG1 . 10072 1 517 . 1 1 48 48 VAL HG13 H 1 0.934 0.030 . 1 . . . . 48 VAL HG1 . 10072 1 518 . 1 1 48 48 VAL HG21 H 1 0.681 0.030 . 1 . . . . 48 VAL HG2 . 10072 1 519 . 1 1 48 48 VAL HG22 H 1 0.681 0.030 . 1 . . . . 48 VAL HG2 . 10072 1 520 . 1 1 48 48 VAL HG23 H 1 0.681 0.030 . 1 . . . . 48 VAL HG2 . 10072 1 521 . 1 1 48 48 VAL C C 13 174.054 0.300 . 1 . . . . 48 VAL C . 10072 1 522 . 1 1 48 48 VAL CA C 13 62.172 0.300 . 1 . . . . 48 VAL CA . 10072 1 523 . 1 1 48 48 VAL CB C 13 33.390 0.300 . 1 . . . . 48 VAL CB . 10072 1 524 . 1 1 48 48 VAL CG1 C 13 22.481 0.300 . 2 . . . . 48 VAL CG1 . 10072 1 525 . 1 1 48 48 VAL CG2 C 13 21.397 0.300 . 2 . . . . 48 VAL CG2 . 10072 1 526 . 1 1 48 48 VAL N N 15 122.381 0.300 . 1 . . . . 48 VAL N . 10072 1 527 . 1 1 49 49 HIS H H 1 8.399 0.030 . 1 . . . . 49 HIS H . 10072 1 528 . 1 1 49 49 HIS HA H 1 4.585 0.030 . 1 . . . . 49 HIS HA . 10072 1 529 . 1 1 49 49 HIS HB2 H 1 2.709 0.030 . 2 . . . . 49 HIS HB2 . 10072 1 530 . 1 1 49 49 HIS HB3 H 1 0.841 0.030 . 2 . . . . 49 HIS HB3 . 10072 1 531 . 1 1 49 49 HIS HD2 H 1 6.338 0.030 . 1 . . . . 49 HIS HD2 . 10072 1 532 . 1 1 49 49 HIS HE1 H 1 7.733 0.030 . 1 . . . . 49 HIS HE1 . 10072 1 533 . 1 1 49 49 HIS C C 13 173.730 0.300 . 1 . . . . 49 HIS C . 10072 1 534 . 1 1 49 49 HIS CA C 13 54.410 0.300 . 1 . . . . 49 HIS CA . 10072 1 535 . 1 1 49 49 HIS CB C 13 29.852 0.300 . 1 . . . . 49 HIS CB . 10072 1 536 . 1 1 49 49 HIS CD2 C 13 125.139 0.300 . 1 . . . . 49 HIS CD2 . 10072 1 537 . 1 1 49 49 HIS CE1 C 13 138.624 0.300 . 1 . . . . 49 HIS CE1 . 10072 1 538 . 1 1 49 49 HIS N N 15 129.100 0.300 . 1 . . . . 49 HIS N . 10072 1 539 . 1 1 50 50 LYS H H 1 7.751 0.030 . 1 . . . . 50 LYS H . 10072 1 540 . 1 1 50 50 LYS HA H 1 4.414 0.030 . 1 . . . . 50 LYS HA . 10072 1 541 . 1 1 50 50 LYS HB2 H 1 1.951 0.030 . 2 . . . . 50 LYS HB2 . 10072 1 542 . 1 1 50 50 LYS HB3 H 1 1.779 0.030 . 2 . . . . 50 LYS HB3 . 10072 1 543 . 1 1 50 50 LYS HG2 H 1 1.450 0.030 . 2 . . . . 50 LYS HG2 . 10072 1 544 . 1 1 50 50 LYS HG3 H 1 1.330 0.030 . 2 . . . . 50 LYS HG3 . 10072 1 545 . 1 1 50 50 LYS HD2 H 1 1.723 0.030 . 1 . . . . 50 LYS HD2 . 10072 1 546 . 1 1 50 50 LYS HD3 H 1 1.723 0.030 . 1 . . . . 50 LYS HD3 . 10072 1 547 . 1 1 50 50 LYS HE2 H 1 2.990 0.030 . 1 . . . . 50 LYS HE2 . 10072 1 548 . 1 1 50 50 LYS HE3 H 1 2.990 0.030 . 1 . . . . 50 LYS HE3 . 10072 1 549 . 1 1 50 50 LYS C C 13 175.660 0.300 . 1 . . . . 50 LYS C . 10072 1 550 . 1 1 50 50 LYS CA C 13 56.523 0.300 . 1 . . . . 50 LYS CA . 10072 1 551 . 1 1 50 50 LYS CB C 13 30.744 0.300 . 1 . . . . 50 LYS CB . 10072 1 552 . 1 1 50 50 LYS CG C 13 24.888 0.300 . 1 . . . . 50 LYS CG . 10072 1 553 . 1 1 50 50 LYS CD C 13 29.302 0.300 . 1 . . . . 50 LYS CD . 10072 1 554 . 1 1 50 50 LYS CE C 13 42.141 0.300 . 1 . . . . 50 LYS CE . 10072 1 555 . 1 1 50 50 LYS N N 15 121.605 0.300 . 1 . . . . 50 LYS N . 10072 1 556 . 1 1 51 51 GLY H H 1 8.574 0.030 . 1 . . . . 51 GLY H . 10072 1 557 . 1 1 51 51 GLY HA2 H 1 4.472 0.030 . 2 . . . . 51 GLY HA2 . 10072 1 558 . 1 1 51 51 GLY HA3 H 1 4.394 0.030 . 2 . . . . 51 GLY HA3 . 10072 1 559 . 1 1 51 51 GLY C C 13 173.935 0.300 . 1 . . . . 51 GLY C . 10072 1 560 . 1 1 51 51 GLY CA C 13 45.591 0.300 . 1 . . . . 51 GLY CA . 10072 1 561 . 1 1 51 51 GLY N N 15 115.231 0.300 . 1 . . . . 51 GLY N . 10072 1 562 . 1 1 52 52 PHE H H 1 7.100 0.030 . 1 . . . . 52 PHE H . 10072 1 563 . 1 1 52 52 PHE HA H 1 5.248 0.030 . 1 . . . . 52 PHE HA . 10072 1 564 . 1 1 52 52 PHE HB2 H 1 3.352 0.030 . 2 . . . . 52 PHE HB2 . 10072 1 565 . 1 1 52 52 PHE HB3 H 1 2.626 0.030 . 2 . . . . 52 PHE HB3 . 10072 1 566 . 1 1 52 52 PHE HD1 H 1 6.748 0.030 . 1 . . . . 52 PHE HD1 . 10072 1 567 . 1 1 52 52 PHE HD2 H 1 6.748 0.030 . 1 . . . . 52 PHE HD2 . 10072 1 568 . 1 1 52 52 PHE HE1 H 1 7.181 0.030 . 1 . . . . 52 PHE HE1 . 10072 1 569 . 1 1 52 52 PHE HE2 H 1 7.181 0.030 . 1 . . . . 52 PHE HE2 . 10072 1 570 . 1 1 52 52 PHE HZ H 1 7.169 0.030 . 1 . . . . 52 PHE HZ . 10072 1 571 . 1 1 52 52 PHE C C 13 171.671 0.300 . 1 . . . . 52 PHE C . 10072 1 572 . 1 1 52 52 PHE CA C 13 55.804 0.300 . 1 . . . . 52 PHE CA . 10072 1 573 . 1 1 52 52 PHE CB C 13 40.924 0.300 . 1 . . . . 52 PHE CB . 10072 1 574 . 1 1 52 52 PHE CD1 C 13 132.946 0.300 . 1 . . . . 52 PHE CD1 . 10072 1 575 . 1 1 52 52 PHE CD2 C 13 132.946 0.300 . 1 . . . . 52 PHE CD2 . 10072 1 576 . 1 1 52 52 PHE CE1 C 13 131.592 0.300 . 1 . . . . 52 PHE CE1 . 10072 1 577 . 1 1 52 52 PHE CE2 C 13 131.592 0.300 . 1 . . . . 52 PHE CE2 . 10072 1 578 . 1 1 52 52 PHE CZ C 13 129.922 0.300 . 1 . . . . 52 PHE CZ . 10072 1 579 . 1 1 52 52 PHE N N 15 113.333 0.300 . 1 . . . . 52 PHE N . 10072 1 580 . 1 1 53 53 ALA H H 1 8.732 0.030 . 1 . . . . 53 ALA H . 10072 1 581 . 1 1 53 53 ALA HA H 1 4.966 0.030 . 1 . . . . 53 ALA HA . 10072 1 582 . 1 1 53 53 ALA HB1 H 1 1.138 0.030 . 1 . . . . 53 ALA HB . 10072 1 583 . 1 1 53 53 ALA HB2 H 1 1.138 0.030 . 1 . . . . 53 ALA HB . 10072 1 584 . 1 1 53 53 ALA HB3 H 1 1.138 0.030 . 1 . . . . 53 ALA HB . 10072 1 585 . 1 1 53 53 ALA C C 13 173.746 0.300 . 1 . . . . 53 ALA C . 10072 1 586 . 1 1 53 53 ALA CA C 13 50.266 0.300 . 1 . . . . 53 ALA CA . 10072 1 587 . 1 1 53 53 ALA CB C 13 24.476 0.300 . 1 . . . . 53 ALA CB . 10072 1 588 . 1 1 53 53 ALA N N 15 120.001 0.300 . 1 . . . . 53 ALA N . 10072 1 589 . 1 1 54 54 PHE H H 1 8.882 0.030 . 1 . . . . 54 PHE H . 10072 1 590 . 1 1 54 54 PHE HA H 1 5.825 0.030 . 1 . . . . 54 PHE HA . 10072 1 591 . 1 1 54 54 PHE HB2 H 1 2.905 0.030 . 2 . . . . 54 PHE HB2 . 10072 1 592 . 1 1 54 54 PHE HB3 H 1 2.865 0.030 . 2 . . . . 54 PHE HB3 . 10072 1 593 . 1 1 54 54 PHE HD1 H 1 7.292 0.030 . 1 . . . . 54 PHE HD1 . 10072 1 594 . 1 1 54 54 PHE HD2 H 1 7.292 0.030 . 1 . . . . 54 PHE HD2 . 10072 1 595 . 1 1 54 54 PHE HE1 H 1 7.410 0.030 . 1 . . . . 54 PHE HE1 . 10072 1 596 . 1 1 54 54 PHE HE2 H 1 7.410 0.030 . 1 . . . . 54 PHE HE2 . 10072 1 597 . 1 1 54 54 PHE HZ H 1 7.333 0.030 . 1 . . . . 54 PHE HZ . 10072 1 598 . 1 1 54 54 PHE C C 13 175.993 0.300 . 1 . . . . 54 PHE C . 10072 1 599 . 1 1 54 54 PHE CA C 13 56.693 0.300 . 1 . . . . 54 PHE CA . 10072 1 600 . 1 1 54 54 PHE CB C 13 44.120 0.300 . 1 . . . . 54 PHE CB . 10072 1 601 . 1 1 54 54 PHE CD1 C 13 131.818 0.300 . 1 . . . . 54 PHE CD1 . 10072 1 602 . 1 1 54 54 PHE CD2 C 13 131.818 0.300 . 1 . . . . 54 PHE CD2 . 10072 1 603 . 1 1 54 54 PHE CE1 C 13 131.637 0.300 . 1 . . . . 54 PHE CE1 . 10072 1 604 . 1 1 54 54 PHE CE2 C 13 131.637 0.300 . 1 . . . . 54 PHE CE2 . 10072 1 605 . 1 1 54 54 PHE CZ C 13 129.922 0.300 . 1 . . . . 54 PHE CZ . 10072 1 606 . 1 1 54 54 PHE N N 15 114.362 0.300 . 1 . . . . 54 PHE N . 10072 1 607 . 1 1 55 55 VAL H H 1 8.600 0.030 . 1 . . . . 55 VAL H . 10072 1 608 . 1 1 55 55 VAL HA H 1 4.336 0.030 . 1 . . . . 55 VAL HA . 10072 1 609 . 1 1 55 55 VAL HB H 1 1.414 0.030 . 1 . . . . 55 VAL HB . 10072 1 610 . 1 1 55 55 VAL HG11 H 1 0.422 0.030 . 1 . . . . 55 VAL HG1 . 10072 1 611 . 1 1 55 55 VAL HG12 H 1 0.422 0.030 . 1 . . . . 55 VAL HG1 . 10072 1 612 . 1 1 55 55 VAL HG13 H 1 0.422 0.030 . 1 . . . . 55 VAL HG1 . 10072 1 613 . 1 1 55 55 VAL HG21 H 1 0.358 0.030 . 1 . . . . 55 VAL HG2 . 10072 1 614 . 1 1 55 55 VAL HG22 H 1 0.358 0.030 . 1 . . . . 55 VAL HG2 . 10072 1 615 . 1 1 55 55 VAL HG23 H 1 0.358 0.030 . 1 . . . . 55 VAL HG2 . 10072 1 616 . 1 1 55 55 VAL C C 13 172.893 0.300 . 1 . . . . 55 VAL C . 10072 1 617 . 1 1 55 55 VAL CA C 13 61.345 0.300 . 1 . . . . 55 VAL CA . 10072 1 618 . 1 1 55 55 VAL CB C 13 35.518 0.300 . 1 . . . . 55 VAL CB . 10072 1 619 . 1 1 55 55 VAL CG1 C 13 22.255 0.300 . 2 . . . . 55 VAL CG1 . 10072 1 620 . 1 1 55 55 VAL CG2 C 13 22.260 0.300 . 2 . . . . 55 VAL CG2 . 10072 1 621 . 1 1 55 55 VAL N N 15 118.206 0.300 . 1 . . . . 55 VAL N . 10072 1 622 . 1 1 56 56 GLN H H 1 8.753 0.030 . 1 . . . . 56 GLN H . 10072 1 623 . 1 1 56 56 GLN HA H 1 4.804 0.030 . 1 . . . . 56 GLN HA . 10072 1 624 . 1 1 56 56 GLN HB2 H 1 1.885 0.030 . 2 . . . . 56 GLN HB2 . 10072 1 625 . 1 1 56 56 GLN HB3 H 1 1.767 0.030 . 2 . . . . 56 GLN HB3 . 10072 1 626 . 1 1 56 56 GLN HG2 H 1 2.277 0.030 . 2 . . . . 56 GLN HG2 . 10072 1 627 . 1 1 56 56 GLN HG3 H 1 2.103 0.030 . 2 . . . . 56 GLN HG3 . 10072 1 628 . 1 1 56 56 GLN HE21 H 1 7.603 0.030 . 2 . . . . 56 GLN HE21 . 10072 1 629 . 1 1 56 56 GLN HE22 H 1 7.131 0.030 . 2 . . . . 56 GLN HE22 . 10072 1 630 . 1 1 56 56 GLN C C 13 174.242 0.300 . 1 . . . . 56 GLN C . 10072 1 631 . 1 1 56 56 GLN CA C 13 54.305 0.300 . 1 . . . . 56 GLN CA . 10072 1 632 . 1 1 56 56 GLN CB C 13 31.041 0.300 . 1 . . . . 56 GLN CB . 10072 1 633 . 1 1 56 56 GLN CG C 13 33.615 0.300 . 1 . . . . 56 GLN CG . 10072 1 634 . 1 1 56 56 GLN N N 15 127.147 0.300 . 1 . . . . 56 GLN N . 10072 1 635 . 1 1 56 56 GLN NE2 N 15 115.366 0.300 . 1 . . . . 56 GLN NE2 . 10072 1 636 . 1 1 57 57 TYR H H 1 8.662 0.030 . 1 . . . . 57 TYR H . 10072 1 637 . 1 1 57 57 TYR HA H 1 5.229 0.030 . 1 . . . . 57 TYR HA . 10072 1 638 . 1 1 57 57 TYR HB2 H 1 3.672 0.030 . 2 . . . . 57 TYR HB2 . 10072 1 639 . 1 1 57 57 TYR HB3 H 1 3.020 0.030 . 2 . . . . 57 TYR HB3 . 10072 1 640 . 1 1 57 57 TYR HD1 H 1 6.999 0.030 . 1 . . . . 57 TYR HD1 . 10072 1 641 . 1 1 57 57 TYR HD2 H 1 6.999 0.030 . 1 . . . . 57 TYR HD2 . 10072 1 642 . 1 1 57 57 TYR HE1 H 1 6.619 0.030 . 1 . . . . 57 TYR HE1 . 10072 1 643 . 1 1 57 57 TYR HE2 H 1 6.619 0.030 . 1 . . . . 57 TYR HE2 . 10072 1 644 . 1 1 57 57 TYR C C 13 176.053 0.300 . 1 . . . . 57 TYR C . 10072 1 645 . 1 1 57 57 TYR CA C 13 58.257 0.300 . 1 . . . . 57 TYR CA . 10072 1 646 . 1 1 57 57 TYR CB C 13 41.431 0.300 . 1 . . . . 57 TYR CB . 10072 1 647 . 1 1 57 57 TYR CD1 C 13 132.574 0.300 . 1 . . . . 57 TYR CD1 . 10072 1 648 . 1 1 57 57 TYR CD2 C 13 132.574 0.300 . 1 . . . . 57 TYR CD2 . 10072 1 649 . 1 1 57 57 TYR CE1 C 13 117.790 0.300 . 1 . . . . 57 TYR CE1 . 10072 1 650 . 1 1 57 57 TYR CE2 C 13 117.790 0.300 . 1 . . . . 57 TYR CE2 . 10072 1 651 . 1 1 57 57 TYR N N 15 126.093 0.300 . 1 . . . . 57 TYR N . 10072 1 652 . 1 1 58 58 VAL H H 1 9.320 0.030 . 1 . . . . 58 VAL H . 10072 1 653 . 1 1 58 58 VAL HA H 1 3.987 0.030 . 1 . . . . 58 VAL HA . 10072 1 654 . 1 1 58 58 VAL HB H 1 2.231 0.030 . 1 . . . . 58 VAL HB . 10072 1 655 . 1 1 58 58 VAL HG11 H 1 1.045 0.030 . 1 . . . . 58 VAL HG1 . 10072 1 656 . 1 1 58 58 VAL HG12 H 1 1.045 0.030 . 1 . . . . 58 VAL HG1 . 10072 1 657 . 1 1 58 58 VAL HG13 H 1 1.045 0.030 . 1 . . . . 58 VAL HG1 . 10072 1 658 . 1 1 58 58 VAL HG21 H 1 1.083 0.030 . 1 . . . . 58 VAL HG2 . 10072 1 659 . 1 1 58 58 VAL HG22 H 1 1.083 0.030 . 1 . . . . 58 VAL HG2 . 10072 1 660 . 1 1 58 58 VAL HG23 H 1 1.083 0.030 . 1 . . . . 58 VAL HG2 . 10072 1 661 . 1 1 58 58 VAL C C 13 175.814 0.300 . 1 . . . . 58 VAL C . 10072 1 662 . 1 1 58 58 VAL CA C 13 64.482 0.300 . 1 . . . . 58 VAL CA . 10072 1 663 . 1 1 58 58 VAL CB C 13 32.650 0.300 . 1 . . . . 58 VAL CB . 10072 1 664 . 1 1 58 58 VAL CG1 C 13 21.693 0.300 . 2 . . . . 58 VAL CG1 . 10072 1 665 . 1 1 58 58 VAL CG2 C 13 22.145 0.300 . 2 . . . . 58 VAL CG2 . 10072 1 666 . 1 1 58 58 VAL N N 15 117.240 0.300 . 1 . . . . 58 VAL N . 10072 1 667 . 1 1 59 59 ASN H H 1 7.354 0.030 . 1 . . . . 59 ASN H . 10072 1 668 . 1 1 59 59 ASN HA H 1 5.084 0.030 . 1 . . . . 59 ASN HA . 10072 1 669 . 1 1 59 59 ASN HB2 H 1 3.030 0.030 . 2 . . . . 59 ASN HB2 . 10072 1 670 . 1 1 59 59 ASN HB3 H 1 2.941 0.030 . 2 . . . . 59 ASN HB3 . 10072 1 671 . 1 1 59 59 ASN HD21 H 1 7.717 0.030 . 2 . . . . 59 ASN HD21 . 10072 1 672 . 1 1 59 59 ASN HD22 H 1 6.860 0.030 . 2 . . . . 59 ASN HD22 . 10072 1 673 . 1 1 59 59 ASN C C 13 174.567 0.300 . 1 . . . . 59 ASN C . 10072 1 674 . 1 1 59 59 ASN CA C 13 52.118 0.300 . 1 . . . . 59 ASN CA . 10072 1 675 . 1 1 59 59 ASN CB C 13 42.124 0.300 . 1 . . . . 59 ASN CB . 10072 1 676 . 1 1 59 59 ASN N N 15 112.613 0.300 . 1 . . . . 59 ASN N . 10072 1 677 . 1 1 59 59 ASN ND2 N 15 114.170 0.300 . 1 . . . . 59 ASN ND2 . 10072 1 678 . 1 1 60 60 GLU H H 1 8.775 0.030 . 1 . . . . 60 GLU H . 10072 1 679 . 1 1 60 60 GLU HA H 1 4.164 0.030 . 1 . . . . 60 GLU HA . 10072 1 680 . 1 1 60 60 GLU HB2 H 1 2.104 0.030 . 2 . . . . 60 GLU HB2 . 10072 1 681 . 1 1 60 60 GLU HB3 H 1 1.913 0.030 . 2 . . . . 60 GLU HB3 . 10072 1 682 . 1 1 60 60 GLU HG2 H 1 2.581 0.030 . 2 . . . . 60 GLU HG2 . 10072 1 683 . 1 1 60 60 GLU HG3 H 1 2.176 0.030 . 2 . . . . 60 GLU HG3 . 10072 1 684 . 1 1 60 60 GLU C C 13 177.898 0.300 . 1 . . . . 60 GLU C . 10072 1 685 . 1 1 60 60 GLU CA C 13 58.667 0.300 . 1 . . . . 60 GLU CA . 10072 1 686 . 1 1 60 60 GLU CB C 13 30.220 0.300 . 1 . . . . 60 GLU CB . 10072 1 687 . 1 1 60 60 GLU CG C 13 36.022 0.300 . 1 . . . . 60 GLU CG . 10072 1 688 . 1 1 60 60 GLU N N 15 123.072 0.300 . 1 . . . . 60 GLU N . 10072 1 689 . 1 1 61 61 ARG H H 1 8.603 0.030 . 1 . . . . 61 ARG H . 10072 1 690 . 1 1 61 61 ARG HA H 1 3.968 0.030 . 1 . . . . 61 ARG HA . 10072 1 691 . 1 1 61 61 ARG HB2 H 1 1.886 0.030 . 2 . . . . 61 ARG HB2 . 10072 1 692 . 1 1 61 61 ARG HB3 H 1 1.767 0.030 . 2 . . . . 61 ARG HB3 . 10072 1 693 . 1 1 61 61 ARG HG2 H 1 1.686 0.030 . 2 . . . . 61 ARG HG2 . 10072 1 694 . 1 1 61 61 ARG HG3 H 1 1.606 0.030 . 2 . . . . 61 ARG HG3 . 10072 1 695 . 1 1 61 61 ARG HD2 H 1 3.224 0.030 . 1 . . . . 61 ARG HD2 . 10072 1 696 . 1 1 61 61 ARG HD3 H 1 3.224 0.030 . 1 . . . . 61 ARG HD3 . 10072 1 697 . 1 1 61 61 ARG C C 13 179.341 0.300 . 1 . . . . 61 ARG C . 10072 1 698 . 1 1 61 61 ARG CA C 13 59.648 0.300 . 1 . . . . 61 ARG CA . 10072 1 699 . 1 1 61 61 ARG CB C 13 29.408 0.300 . 1 . . . . 61 ARG CB . 10072 1 700 . 1 1 61 61 ARG CG C 13 27.129 0.300 . 1 . . . . 61 ARG CG . 10072 1 701 . 1 1 61 61 ARG CD C 13 43.345 0.300 . 1 . . . . 61 ARG CD . 10072 1 702 . 1 1 61 61 ARG N N 15 119.731 0.300 . 1 . . . . 61 ARG N . 10072 1 703 . 1 1 62 62 ASN H H 1 7.843 0.030 . 1 . . . . 62 ASN H . 10072 1 704 . 1 1 62 62 ASN HA H 1 4.278 0.030 . 1 . . . . 62 ASN HA . 10072 1 705 . 1 1 62 62 ASN HB2 H 1 2.465 0.030 . 2 . . . . 62 ASN HB2 . 10072 1 706 . 1 1 62 62 ASN HB3 H 1 2.335 0.030 . 2 . . . . 62 ASN HB3 . 10072 1 707 . 1 1 62 62 ASN HD21 H 1 7.873 0.030 . 2 . . . . 62 ASN HD21 . 10072 1 708 . 1 1 62 62 ASN HD22 H 1 7.028 0.030 . 2 . . . . 62 ASN HD22 . 10072 1 709 . 1 1 62 62 ASN C C 13 175.002 0.300 . 1 . . . . 62 ASN C . 10072 1 710 . 1 1 62 62 ASN CA C 13 56.191 0.300 . 1 . . . . 62 ASN CA . 10072 1 711 . 1 1 62 62 ASN CB C 13 38.642 0.300 . 1 . . . . 62 ASN CB . 10072 1 712 . 1 1 62 62 ASN N N 15 118.405 0.300 . 1 . . . . 62 ASN N . 10072 1 713 . 1 1 62 62 ASN ND2 N 15 109.686 0.300 . 1 . . . . 62 ASN ND2 . 10072 1 714 . 1 1 63 63 ALA H H 1 6.753 0.030 . 1 . . . . 63 ALA H . 10072 1 715 . 1 1 63 63 ALA HA H 1 3.700 0.030 . 1 . . . . 63 ALA HA . 10072 1 716 . 1 1 63 63 ALA HB1 H 1 1.453 0.030 . 1 . . . . 63 ALA HB . 10072 1 717 . 1 1 63 63 ALA HB2 H 1 1.453 0.030 . 1 . . . . 63 ALA HB . 10072 1 718 . 1 1 63 63 ALA HB3 H 1 1.453 0.030 . 1 . . . . 63 ALA HB . 10072 1 719 . 1 1 63 63 ALA C C 13 178.820 0.300 . 1 . . . . 63 ALA C . 10072 1 720 . 1 1 63 63 ALA CA C 13 55.012 0.300 . 1 . . . . 63 ALA CA . 10072 1 721 . 1 1 63 63 ALA CB C 13 18.670 0.300 . 1 . . . . 63 ALA CB . 10072 1 722 . 1 1 63 63 ALA N N 15 119.751 0.300 . 1 . . . . 63 ALA N . 10072 1 723 . 1 1 64 64 ARG H H 1 8.603 0.030 . 1 . . . . 64 ARG H . 10072 1 724 . 1 1 64 64 ARG HA H 1 3.805 0.030 . 1 . . . . 64 ARG HA . 10072 1 725 . 1 1 64 64 ARG HB2 H 1 1.945 0.030 . 2 . . . . 64 ARG HB2 . 10072 1 726 . 1 1 64 64 ARG HB3 H 1 1.720 0.030 . 2 . . . . 64 ARG HB3 . 10072 1 727 . 1 1 64 64 ARG HG2 H 1 1.818 0.030 . 2 . . . . 64 ARG HG2 . 10072 1 728 . 1 1 64 64 ARG HG3 H 1 1.775 0.030 . 2 . . . . 64 ARG HG3 . 10072 1 729 . 1 1 64 64 ARG HD2 H 1 3.130 0.030 . 2 . . . . 64 ARG HD2 . 10072 1 730 . 1 1 64 64 ARG HD3 H 1 3.239 0.030 . 2 . . . . 64 ARG HD3 . 10072 1 731 . 1 1 64 64 ARG C C 13 179.632 0.300 . 1 . . . . 64 ARG C . 10072 1 732 . 1 1 64 64 ARG CA C 13 60.122 0.300 . 1 . . . . 64 ARG CA . 10072 1 733 . 1 1 64 64 ARG CB C 13 29.933 0.300 . 1 . . . . 64 ARG CB . 10072 1 734 . 1 1 64 64 ARG CG C 13 29.803 0.300 . 1 . . . . 64 ARG CG . 10072 1 735 . 1 1 64 64 ARG CD C 13 43.144 0.300 . 1 . . . . 64 ARG CD . 10072 1 736 . 1 1 64 64 ARG N N 15 115.098 0.300 . 1 . . . . 64 ARG N . 10072 1 737 . 1 1 65 65 ALA H H 1 7.710 0.030 . 1 . . . . 65 ALA H . 10072 1 738 . 1 1 65 65 ALA HA H 1 4.102 0.030 . 1 . . . . 65 ALA HA . 10072 1 739 . 1 1 65 65 ALA HB1 H 1 1.646 0.030 . 1 . . . . 65 ALA HB . 10072 1 740 . 1 1 65 65 ALA HB2 H 1 1.646 0.030 . 1 . . . . 65 ALA HB . 10072 1 741 . 1 1 65 65 ALA HB3 H 1 1.646 0.030 . 1 . . . . 65 ALA HB . 10072 1 742 . 1 1 65 65 ALA C C 13 179.581 0.300 . 1 . . . . 65 ALA C . 10072 1 743 . 1 1 65 65 ALA CA C 13 54.931 0.300 . 1 . . . . 65 ALA CA . 10072 1 744 . 1 1 65 65 ALA CB C 13 17.927 0.300 . 1 . . . . 65 ALA CB . 10072 1 745 . 1 1 65 65 ALA N N 15 123.121 0.300 . 1 . . . . 65 ALA N . 10072 1 746 . 1 1 66 66 ALA H H 1 7.534 0.030 . 1 . . . . 66 ALA H . 10072 1 747 . 1 1 66 66 ALA HA H 1 2.069 0.030 . 1 . . . . 66 ALA HA . 10072 1 748 . 1 1 66 66 ALA HB1 H 1 1.463 0.030 . 1 . . . . 66 ALA HB . 10072 1 749 . 1 1 66 66 ALA HB2 H 1 1.463 0.030 . 1 . . . . 66 ALA HB . 10072 1 750 . 1 1 66 66 ALA HB3 H 1 1.463 0.030 . 1 . . . . 66 ALA HB . 10072 1 751 . 1 1 66 66 ALA C C 13 179.205 0.300 . 1 . . . . 66 ALA C . 10072 1 752 . 1 1 66 66 ALA CA C 13 54.298 0.300 . 1 . . . . 66 ALA CA . 10072 1 753 . 1 1 66 66 ALA CB C 13 19.321 0.300 . 1 . . . . 66 ALA CB . 10072 1 754 . 1 1 66 66 ALA N N 15 123.768 0.300 . 1 . . . . 66 ALA N . 10072 1 755 . 1 1 67 67 VAL H H 1 7.599 0.030 . 1 . . . . 67 VAL H . 10072 1 756 . 1 1 67 67 VAL HA H 1 3.366 0.030 . 1 . . . . 67 VAL HA . 10072 1 757 . 1 1 67 67 VAL HB H 1 2.081 0.030 . 1 . . . . 67 VAL HB . 10072 1 758 . 1 1 67 67 VAL HG11 H 1 1.014 0.030 . 1 . . . . 67 VAL HG1 . 10072 1 759 . 1 1 67 67 VAL HG12 H 1 1.014 0.030 . 1 . . . . 67 VAL HG1 . 10072 1 760 . 1 1 67 67 VAL HG13 H 1 1.014 0.030 . 1 . . . . 67 VAL HG1 . 10072 1 761 . 1 1 67 67 VAL HG21 H 1 0.956 0.030 . 1 . . . . 67 VAL HG2 . 10072 1 762 . 1 1 67 67 VAL HG22 H 1 0.956 0.030 . 1 . . . . 67 VAL HG2 . 10072 1 763 . 1 1 67 67 VAL HG23 H 1 0.956 0.030 . 1 . . . . 67 VAL HG2 . 10072 1 764 . 1 1 67 67 VAL C C 13 177.710 0.300 . 1 . . . . 67 VAL C . 10072 1 765 . 1 1 67 67 VAL CA C 13 66.421 0.300 . 1 . . . . 67 VAL CA . 10072 1 766 . 1 1 67 67 VAL CB C 13 31.890 0.300 . 1 . . . . 67 VAL CB . 10072 1 767 . 1 1 67 67 VAL CG1 C 13 22.953 0.300 . 2 . . . . 67 VAL CG1 . 10072 1 768 . 1 1 67 67 VAL CG2 C 13 21.658 0.300 . 2 . . . . 67 VAL CG2 . 10072 1 769 . 1 1 67 67 VAL N N 15 116.439 0.300 . 1 . . . . 67 VAL N . 10072 1 770 . 1 1 68 68 ALA H H 1 7.513 0.030 . 1 . . . . 68 ALA H . 10072 1 771 . 1 1 68 68 ALA HA H 1 4.127 0.030 . 1 . . . . 68 ALA HA . 10072 1 772 . 1 1 68 68 ALA HB1 H 1 1.423 0.030 . 1 . . . . 68 ALA HB . 10072 1 773 . 1 1 68 68 ALA HB2 H 1 1.423 0.030 . 1 . . . . 68 ALA HB . 10072 1 774 . 1 1 68 68 ALA HB3 H 1 1.423 0.030 . 1 . . . . 68 ALA HB . 10072 1 775 . 1 1 68 68 ALA C C 13 180.820 0.300 . 1 . . . . 68 ALA C . 10072 1 776 . 1 1 68 68 ALA CA C 13 54.248 0.300 . 1 . . . . 68 ALA CA . 10072 1 777 . 1 1 68 68 ALA CB C 13 18.217 0.300 . 1 . . . . 68 ALA CB . 10072 1 778 . 1 1 68 68 ALA N N 15 117.917 0.300 . 1 . . . . 68 ALA N . 10072 1 779 . 1 1 69 69 GLY H H 1 8.168 0.030 . 1 . . . . 69 GLY H . 10072 1 780 . 1 1 69 69 GLY HA2 H 1 3.986 0.030 . 1 . . . . 69 GLY HA2 . 10072 1 781 . 1 1 69 69 GLY HA3 H 1 3.986 0.030 . 1 . . . . 69 GLY HA3 . 10072 1 782 . 1 1 69 69 GLY C C 13 175.668 0.300 . 1 . . . . 69 GLY C . 10072 1 783 . 1 1 69 69 GLY CA C 13 46.168 0.300 . 1 . . . . 69 GLY CA . 10072 1 784 . 1 1 69 69 GLY N N 15 104.000 0.300 . 1 . . . . 69 GLY N . 10072 1 785 . 1 1 70 70 GLU H H 1 7.604 0.030 . 1 . . . . 70 GLU H . 10072 1 786 . 1 1 70 70 GLU HA H 1 4.623 0.030 . 1 . . . . 70 GLU HA . 10072 1 787 . 1 1 70 70 GLU HB2 H 1 1.593 0.030 . 2 . . . . 70 GLU HB2 . 10072 1 788 . 1 1 70 70 GLU HB3 H 1 2.258 0.030 . 2 . . . . 70 GLU HB3 . 10072 1 789 . 1 1 70 70 GLU HG2 H 1 2.078 0.030 . 2 . . . . 70 GLU HG2 . 10072 1 790 . 1 1 70 70 GLU HG3 H 1 1.602 0.030 . 2 . . . . 70 GLU HG3 . 10072 1 791 . 1 1 70 70 GLU C C 13 176.173 0.300 . 1 . . . . 70 GLU C . 10072 1 792 . 1 1 70 70 GLU CA C 13 55.014 0.300 . 1 . . . . 70 GLU CA . 10072 1 793 . 1 1 70 70 GLU CB C 13 30.947 0.300 . 1 . . . . 70 GLU CB . 10072 1 794 . 1 1 70 70 GLU CG C 13 34.819 0.300 . 1 . . . . 70 GLU CG . 10072 1 795 . 1 1 70 70 GLU N N 15 114.614 0.300 . 1 . . . . 70 GLU N . 10072 1 796 . 1 1 71 71 ASP H H 1 7.784 0.030 . 1 . . . . 71 ASP H . 10072 1 797 . 1 1 71 71 ASP HA H 1 4.290 0.030 . 1 . . . . 71 ASP HA . 10072 1 798 . 1 1 71 71 ASP HB2 H 1 3.076 0.030 . 2 . . . . 71 ASP HB2 . 10072 1 799 . 1 1 71 71 ASP HB3 H 1 2.594 0.030 . 2 . . . . 71 ASP HB3 . 10072 1 800 . 1 1 71 71 ASP C C 13 178.624 0.300 . 1 . . . . 71 ASP C . 10072 1 801 . 1 1 71 71 ASP CA C 13 57.426 0.300 . 1 . . . . 71 ASP CA . 10072 1 802 . 1 1 71 71 ASP CB C 13 41.387 0.300 . 1 . . . . 71 ASP CB . 10072 1 803 . 1 1 71 71 ASP N N 15 118.114 0.300 . 1 . . . . 71 ASP N . 10072 1 804 . 1 1 72 72 GLY H H 1 8.324 0.030 . 1 . . . . 72 GLY H . 10072 1 805 . 1 1 72 72 GLY HA2 H 1 4.189 0.030 . 2 . . . . 72 GLY HA2 . 10072 1 806 . 1 1 72 72 GLY HA3 H 1 3.665 0.030 . 2 . . . . 72 GLY HA3 . 10072 1 807 . 1 1 72 72 GLY C C 13 173.849 0.300 . 1 . . . . 72 GLY C . 10072 1 808 . 1 1 72 72 GLY CA C 13 45.745 0.300 . 1 . . . . 72 GLY CA . 10072 1 809 . 1 1 72 72 GLY N N 15 114.348 0.300 . 1 . . . . 72 GLY N . 10072 1 810 . 1 1 73 73 ARG H H 1 7.999 0.030 . 1 . . . . 73 ARG H . 10072 1 811 . 1 1 73 73 ARG HA H 1 4.178 0.030 . 1 . . . . 73 ARG HA . 10072 1 812 . 1 1 73 73 ARG HB2 H 1 2.093 0.030 . 2 . . . . 73 ARG HB2 . 10072 1 813 . 1 1 73 73 ARG HB3 H 1 1.838 0.030 . 2 . . . . 73 ARG HB3 . 10072 1 814 . 1 1 73 73 ARG HG2 H 1 1.685 0.030 . 2 . . . . 73 ARG HG2 . 10072 1 815 . 1 1 73 73 ARG HG3 H 1 1.512 0.030 . 2 . . . . 73 ARG HG3 . 10072 1 816 . 1 1 73 73 ARG HD2 H 1 3.331 0.030 . 2 . . . . 73 ARG HD2 . 10072 1 817 . 1 1 73 73 ARG HD3 H 1 3.150 0.030 . 2 . . . . 73 ARG HD3 . 10072 1 818 . 1 1 73 73 ARG HE H 1 7.370 0.030 . 1 . . . . 73 ARG HE . 10072 1 819 . 1 1 73 73 ARG C C 13 175.019 0.300 . 1 . . . . 73 ARG C . 10072 1 820 . 1 1 73 73 ARG CA C 13 56.547 0.300 . 1 . . . . 73 ARG CA . 10072 1 821 . 1 1 73 73 ARG CB C 13 31.110 0.300 . 1 . . . . 73 ARG CB . 10072 1 822 . 1 1 73 73 ARG CG C 13 27.562 0.300 . 1 . . . . 73 ARG CG . 10072 1 823 . 1 1 73 73 ARG CD C 13 43.783 0.300 . 1 . . . . 73 ARG CD . 10072 1 824 . 1 1 73 73 ARG N N 15 121.950 0.300 . 1 . . . . 73 ARG N . 10072 1 825 . 1 1 73 73 ARG NE N 15 84.959 0.300 . 1 . . . . 73 ARG NE . 10072 1 826 . 1 1 74 74 MET H H 1 8.653 0.030 . 1 . . . . 74 MET H . 10072 1 827 . 1 1 74 74 MET HA H 1 4.908 0.030 . 1 . . . . 74 MET HA . 10072 1 828 . 1 1 74 74 MET HB2 H 1 2.027 0.030 . 2 . . . . 74 MET HB2 . 10072 1 829 . 1 1 74 74 MET HB3 H 1 1.913 0.030 . 2 . . . . 74 MET HB3 . 10072 1 830 . 1 1 74 74 MET HG2 H 1 2.297 0.030 . 2 . . . . 74 MET HG2 . 10072 1 831 . 1 1 74 74 MET HG3 H 1 2.160 0.030 . 2 . . . . 74 MET HG3 . 10072 1 832 . 1 1 74 74 MET HE1 H 1 1.977 0.030 . 1 . . . . 74 MET HE . 10072 1 833 . 1 1 74 74 MET HE2 H 1 1.977 0.030 . 1 . . . . 74 MET HE . 10072 1 834 . 1 1 74 74 MET HE3 H 1 1.977 0.030 . 1 . . . . 74 MET HE . 10072 1 835 . 1 1 74 74 MET C C 13 175.848 0.300 . 1 . . . . 74 MET C . 10072 1 836 . 1 1 74 74 MET CA C 13 54.971 0.300 . 1 . . . . 74 MET CA . 10072 1 837 . 1 1 74 74 MET CB C 13 33.384 0.300 . 1 . . . . 74 MET CB . 10072 1 838 . 1 1 74 74 MET CG C 13 32.010 0.300 . 1 . . . . 74 MET CG . 10072 1 839 . 1 1 74 74 MET CE C 13 17.121 0.300 . 1 . . . . 74 MET CE . 10072 1 840 . 1 1 74 74 MET N N 15 124.845 0.300 . 1 . . . . 74 MET N . 10072 1 841 . 1 1 75 75 ILE H H 1 8.625 0.030 . 1 . . . . 75 ILE H . 10072 1 842 . 1 1 75 75 ILE HA H 1 4.390 0.030 . 1 . . . . 75 ILE HA . 10072 1 843 . 1 1 75 75 ILE HB H 1 1.810 0.030 . 1 . . . . 75 ILE HB . 10072 1 844 . 1 1 75 75 ILE HG12 H 1 1.487 0.030 . 2 . . . . 75 ILE HG12 . 10072 1 845 . 1 1 75 75 ILE HG13 H 1 1.143 0.030 . 2 . . . . 75 ILE HG13 . 10072 1 846 . 1 1 75 75 ILE HG21 H 1 0.875 0.030 . 1 . . . . 75 ILE HG2 . 10072 1 847 . 1 1 75 75 ILE HG22 H 1 0.875 0.030 . 1 . . . . 75 ILE HG2 . 10072 1 848 . 1 1 75 75 ILE HG23 H 1 0.875 0.030 . 1 . . . . 75 ILE HG2 . 10072 1 849 . 1 1 75 75 ILE HD11 H 1 0.830 0.030 . 1 . . . . 75 ILE HD1 . 10072 1 850 . 1 1 75 75 ILE HD12 H 1 0.830 0.030 . 1 . . . . 75 ILE HD1 . 10072 1 851 . 1 1 75 75 ILE HD13 H 1 0.830 0.030 . 1 . . . . 75 ILE HD1 . 10072 1 852 . 1 1 75 75 ILE C C 13 175.319 0.300 . 1 . . . . 75 ILE C . 10072 1 853 . 1 1 75 75 ILE CA C 13 59.989 0.300 . 1 . . . . 75 ILE CA . 10072 1 854 . 1 1 75 75 ILE CB C 13 40.473 0.300 . 1 . . . . 75 ILE CB . 10072 1 855 . 1 1 75 75 ILE CG1 C 13 27.358 0.300 . 1 . . . . 75 ILE CG1 . 10072 1 856 . 1 1 75 75 ILE CG2 C 13 16.864 0.300 . 1 . . . . 75 ILE CG2 . 10072 1 857 . 1 1 75 75 ILE CD1 C 13 12.482 0.300 . 1 . . . . 75 ILE CD1 . 10072 1 858 . 1 1 75 75 ILE N N 15 126.676 0.300 . 1 . . . . 75 ILE N . 10072 1 859 . 1 1 76 76 ALA H H 1 9.487 0.030 . 1 . . . . 76 ALA H . 10072 1 860 . 1 1 76 76 ALA HA H 1 4.052 0.030 . 1 . . . . 76 ALA HA . 10072 1 861 . 1 1 76 76 ALA HB1 H 1 1.407 0.030 . 1 . . . . 76 ALA HB . 10072 1 862 . 1 1 76 76 ALA HB2 H 1 1.407 0.030 . 1 . . . . 76 ALA HB . 10072 1 863 . 1 1 76 76 ALA HB3 H 1 1.407 0.030 . 1 . . . . 76 ALA HB . 10072 1 864 . 1 1 76 76 ALA C C 13 177.180 0.300 . 1 . . . . 76 ALA C . 10072 1 865 . 1 1 76 76 ALA CA C 13 52.925 0.300 . 1 . . . . 76 ALA CA . 10072 1 866 . 1 1 76 76 ALA CB C 13 17.256 0.300 . 1 . . . . 76 ALA CB . 10072 1 867 . 1 1 76 76 ALA N N 15 131.970 0.300 . 1 . . . . 76 ALA N . 10072 1 868 . 1 1 77 77 GLY H H 1 8.449 0.030 . 1 . . . . 77 GLY H . 10072 1 869 . 1 1 77 77 GLY HA2 H 1 4.169 0.030 . 2 . . . . 77 GLY HA2 . 10072 1 870 . 1 1 77 77 GLY HA3 H 1 3.705 0.030 . 2 . . . . 77 GLY HA3 . 10072 1 871 . 1 1 77 77 GLY C C 13 174.106 0.300 . 1 . . . . 77 GLY C . 10072 1 872 . 1 1 77 77 GLY CA C 13 45.781 0.300 . 1 . . . . 77 GLY CA . 10072 1 873 . 1 1 77 77 GLY N N 15 101.873 0.300 . 1 . . . . 77 GLY N . 10072 1 874 . 1 1 78 78 GLN H H 1 7.723 0.030 . 1 . . . . 78 GLN H . 10072 1 875 . 1 1 78 78 GLN HA H 1 4.770 0.030 . 1 . . . . 78 GLN HA . 10072 1 876 . 1 1 78 78 GLN HB2 H 1 2.222 0.030 . 2 . . . . 78 GLN HB2 . 10072 1 877 . 1 1 78 78 GLN HB3 H 1 2.034 0.030 . 2 . . . . 78 GLN HB3 . 10072 1 878 . 1 1 78 78 GLN HG2 H 1 2.411 0.030 . 2 . . . . 78 GLN HG2 . 10072 1 879 . 1 1 78 78 GLN HG3 H 1 2.266 0.030 . 2 . . . . 78 GLN HG3 . 10072 1 880 . 1 1 78 78 GLN HE21 H 1 6.638 0.030 . 2 . . . . 78 GLN HE21 . 10072 1 881 . 1 1 78 78 GLN HE22 H 1 6.993 0.030 . 2 . . . . 78 GLN HE22 . 10072 1 882 . 1 1 78 78 GLN C C 13 174.046 0.300 . 1 . . . . 78 GLN C . 10072 1 883 . 1 1 78 78 GLN CA C 13 54.284 0.300 . 1 . . . . 78 GLN CA . 10072 1 884 . 1 1 78 78 GLN CB C 13 32.011 0.300 . 1 . . . . 78 GLN CB . 10072 1 885 . 1 1 78 78 GLN CG C 13 34.739 0.300 . 1 . . . . 78 GLN CG . 10072 1 886 . 1 1 78 78 GLN N N 15 118.843 0.300 . 1 . . . . 78 GLN N . 10072 1 887 . 1 1 78 78 GLN NE2 N 15 110.076 0.300 . 1 . . . . 78 GLN NE2 . 10072 1 888 . 1 1 79 79 VAL H H 1 8.602 0.030 . 1 . . . . 79 VAL H . 10072 1 889 . 1 1 79 79 VAL HA H 1 4.049 0.030 . 1 . . . . 79 VAL HA . 10072 1 890 . 1 1 79 79 VAL HB H 1 1.904 0.030 . 1 . . . . 79 VAL HB . 10072 1 891 . 1 1 79 79 VAL HG11 H 1 0.957 0.030 . 1 . . . . 79 VAL HG1 . 10072 1 892 . 1 1 79 79 VAL HG12 H 1 0.957 0.030 . 1 . . . . 79 VAL HG1 . 10072 1 893 . 1 1 79 79 VAL HG13 H 1 0.957 0.030 . 1 . . . . 79 VAL HG1 . 10072 1 894 . 1 1 79 79 VAL HG21 H 1 0.874 0.030 . 1 . . . . 79 VAL HG2 . 10072 1 895 . 1 1 79 79 VAL HG22 H 1 0.874 0.030 . 1 . . . . 79 VAL HG2 . 10072 1 896 . 1 1 79 79 VAL HG23 H 1 0.874 0.030 . 1 . . . . 79 VAL HG2 . 10072 1 897 . 1 1 79 79 VAL C C 13 176.608 0.300 . 1 . . . . 79 VAL C . 10072 1 898 . 1 1 79 79 VAL CA C 13 62.680 0.300 . 1 . . . . 79 VAL CA . 10072 1 899 . 1 1 79 79 VAL CB C 13 32.017 0.300 . 1 . . . . 79 VAL CB . 10072 1 900 . 1 1 79 79 VAL CG1 C 13 22.178 0.300 . 2 . . . . 79 VAL CG1 . 10072 1 901 . 1 1 79 79 VAL CG2 C 13 21.137 0.300 . 2 . . . . 79 VAL CG2 . 10072 1 902 . 1 1 79 79 VAL N N 15 123.349 0.300 . 1 . . . . 79 VAL N . 10072 1 903 . 1 1 80 80 LEU H H 1 9.017 0.030 . 1 . . . . 80 LEU H . 10072 1 904 . 1 1 80 80 LEU HA H 1 4.398 0.030 . 1 . . . . 80 LEU HA . 10072 1 905 . 1 1 80 80 LEU HB2 H 1 2.135 0.030 . 2 . . . . 80 LEU HB2 . 10072 1 906 . 1 1 80 80 LEU HB3 H 1 1.325 0.030 . 2 . . . . 80 LEU HB3 . 10072 1 907 . 1 1 80 80 LEU HG H 1 2.134 0.030 . 1 . . . . 80 LEU HG . 10072 1 908 . 1 1 80 80 LEU HD11 H 1 1.002 0.030 . 1 . . . . 80 LEU HD1 . 10072 1 909 . 1 1 80 80 LEU HD12 H 1 1.002 0.030 . 1 . . . . 80 LEU HD1 . 10072 1 910 . 1 1 80 80 LEU HD13 H 1 1.002 0.030 . 1 . . . . 80 LEU HD1 . 10072 1 911 . 1 1 80 80 LEU HD21 H 1 0.787 0.030 . 1 . . . . 80 LEU HD2 . 10072 1 912 . 1 1 80 80 LEU HD22 H 1 0.787 0.030 . 1 . . . . 80 LEU HD2 . 10072 1 913 . 1 1 80 80 LEU HD23 H 1 0.787 0.030 . 1 . . . . 80 LEU HD2 . 10072 1 914 . 1 1 80 80 LEU C C 13 176.540 0.300 . 1 . . . . 80 LEU C . 10072 1 915 . 1 1 80 80 LEU CA C 13 56.017 0.300 . 1 . . . . 80 LEU CA . 10072 1 916 . 1 1 80 80 LEU CB C 13 42.787 0.300 . 1 . . . . 80 LEU CB . 10072 1 917 . 1 1 80 80 LEU CG C 13 26.603 0.300 . 1 . . . . 80 LEU CG . 10072 1 918 . 1 1 80 80 LEU CD1 C 13 25.623 0.300 . 2 . . . . 80 LEU CD1 . 10072 1 919 . 1 1 80 80 LEU CD2 C 13 23.335 0.300 . 2 . . . . 80 LEU CD2 . 10072 1 920 . 1 1 80 80 LEU N N 15 128.799 0.300 . 1 . . . . 80 LEU N . 10072 1 921 . 1 1 81 81 ASP H H 1 7.714 0.030 . 1 . . . . 81 ASP H . 10072 1 922 . 1 1 81 81 ASP HA H 1 5.080 0.030 . 1 . . . . 81 ASP HA . 10072 1 923 . 1 1 81 81 ASP HB2 H 1 2.636 0.030 . 2 . . . . 81 ASP HB2 . 10072 1 924 . 1 1 81 81 ASP HB3 H 1 2.515 0.030 . 2 . . . . 81 ASP HB3 . 10072 1 925 . 1 1 81 81 ASP C C 13 174.780 0.300 . 1 . . . . 81 ASP C . 10072 1 926 . 1 1 81 81 ASP CA C 13 52.663 0.300 . 1 . . . . 81 ASP CA . 10072 1 927 . 1 1 81 81 ASP CB C 13 42.348 0.300 . 1 . . . . 81 ASP CB . 10072 1 928 . 1 1 81 81 ASP N N 15 123.519 0.300 . 1 . . . . 81 ASP N . 10072 1 929 . 1 1 82 82 ILE H H 1 8.950 0.030 . 1 . . . . 82 ILE H . 10072 1 930 . 1 1 82 82 ILE HA H 1 5.331 0.030 . 1 . . . . 82 ILE HA . 10072 1 931 . 1 1 82 82 ILE HB H 1 1.741 0.030 . 1 . . . . 82 ILE HB . 10072 1 932 . 1 1 82 82 ILE HG12 H 1 1.713 0.030 . 2 . . . . 82 ILE HG12 . 10072 1 933 . 1 1 82 82 ILE HG13 H 1 1.146 0.030 . 2 . . . . 82 ILE HG13 . 10072 1 934 . 1 1 82 82 ILE HG21 H 1 0.949 0.030 . 1 . . . . 82 ILE HG2 . 10072 1 935 . 1 1 82 82 ILE HG22 H 1 0.949 0.030 . 1 . . . . 82 ILE HG2 . 10072 1 936 . 1 1 82 82 ILE HG23 H 1 0.949 0.030 . 1 . . . . 82 ILE HG2 . 10072 1 937 . 1 1 82 82 ILE HD11 H 1 1.034 0.030 . 1 . . . . 82 ILE HD1 . 10072 1 938 . 1 1 82 82 ILE HD12 H 1 1.034 0.030 . 1 . . . . 82 ILE HD1 . 10072 1 939 . 1 1 82 82 ILE HD13 H 1 1.034 0.030 . 1 . . . . 82 ILE HD1 . 10072 1 940 . 1 1 82 82 ILE C C 13 174.584 0.300 . 1 . . . . 82 ILE C . 10072 1 941 . 1 1 82 82 ILE CA C 13 59.398 0.300 . 1 . . . . 82 ILE CA . 10072 1 942 . 1 1 82 82 ILE CB C 13 39.871 0.300 . 1 . . . . 82 ILE CB . 10072 1 943 . 1 1 82 82 ILE CG1 C 13 28.031 0.300 . 1 . . . . 82 ILE CG1 . 10072 1 944 . 1 1 82 82 ILE CG2 C 13 19.350 0.300 . 1 . . . . 82 ILE CG2 . 10072 1 945 . 1 1 82 82 ILE CD1 C 13 15.295 0.300 . 1 . . . . 82 ILE CD1 . 10072 1 946 . 1 1 82 82 ILE N N 15 124.760 0.300 . 1 . . . . 82 ILE N . 10072 1 947 . 1 1 83 83 ASN H H 1 8.821 0.030 . 1 . . . . 83 ASN H . 10072 1 948 . 1 1 83 83 ASN HA H 1 4.941 0.030 . 1 . . . . 83 ASN HA . 10072 1 949 . 1 1 83 83 ASN HB2 H 1 2.856 0.030 . 1 . . . . 83 ASN HB2 . 10072 1 950 . 1 1 83 83 ASN HB3 H 1 2.856 0.030 . 1 . . . . 83 ASN HB3 . 10072 1 951 . 1 1 83 83 ASN HD21 H 1 7.169 0.030 . 2 . . . . 83 ASN HD21 . 10072 1 952 . 1 1 83 83 ASN HD22 H 1 6.742 0.030 . 2 . . . . 83 ASN HD22 . 10072 1 953 . 1 1 83 83 ASN C C 13 174.165 0.300 . 1 . . . . 83 ASN C . 10072 1 954 . 1 1 83 83 ASN CA C 13 52.466 0.300 . 1 . . . . 83 ASN CA . 10072 1 955 . 1 1 83 83 ASN CB C 13 42.922 0.300 . 1 . . . . 83 ASN CB . 10072 1 956 . 1 1 83 83 ASN N N 15 119.955 0.300 . 1 . . . . 83 ASN N . 10072 1 957 . 1 1 83 83 ASN ND2 N 15 113.971 0.300 . 1 . . . . 83 ASN ND2 . 10072 1 958 . 1 1 84 84 LEU H H 1 9.070 0.030 . 1 . . . . 84 LEU H . 10072 1 959 . 1 1 84 84 LEU HA H 1 4.607 0.030 . 1 . . . . 84 LEU HA . 10072 1 960 . 1 1 84 84 LEU HB2 H 1 1.768 0.030 . 2 . . . . 84 LEU HB2 . 10072 1 961 . 1 1 84 84 LEU HB3 H 1 1.635 0.030 . 2 . . . . 84 LEU HB3 . 10072 1 962 . 1 1 84 84 LEU HG H 1 1.780 0.030 . 1 . . . . 84 LEU HG . 10072 1 963 . 1 1 84 84 LEU HD11 H 1 0.928 0.030 . 1 . . . . 84 LEU HD1 . 10072 1 964 . 1 1 84 84 LEU HD12 H 1 0.928 0.030 . 1 . . . . 84 LEU HD1 . 10072 1 965 . 1 1 84 84 LEU HD13 H 1 0.928 0.030 . 1 . . . . 84 LEU HD1 . 10072 1 966 . 1 1 84 84 LEU HD21 H 1 0.825 0.030 . 1 . . . . 84 LEU HD2 . 10072 1 967 . 1 1 84 84 LEU HD22 H 1 0.825 0.030 . 1 . . . . 84 LEU HD2 . 10072 1 968 . 1 1 84 84 LEU HD23 H 1 0.825 0.030 . 1 . . . . 84 LEU HD2 . 10072 1 969 . 1 1 84 84 LEU C C 13 178.718 0.300 . 1 . . . . 84 LEU C . 10072 1 970 . 1 1 84 84 LEU CA C 13 55.635 0.300 . 1 . . . . 84 LEU CA . 10072 1 971 . 1 1 84 84 LEU CB C 13 41.983 0.300 . 1 . . . . 84 LEU CB . 10072 1 972 . 1 1 84 84 LEU CG C 13 27.581 0.300 . 1 . . . . 84 LEU CG . 10072 1 973 . 1 1 84 84 LEU CD1 C 13 25.290 0.300 . 2 . . . . 84 LEU CD1 . 10072 1 974 . 1 1 84 84 LEU CD2 C 13 24.186 0.300 . 2 . . . . 84 LEU CD2 . 10072 1 975 . 1 1 84 84 LEU N N 15 122.139 0.300 . 1 . . . . 84 LEU N . 10072 1 976 . 1 1 85 85 ALA H H 1 9.019 0.030 . 1 . . . . 85 ALA H . 10072 1 977 . 1 1 85 85 ALA HA H 1 4.172 0.030 . 1 . . . . 85 ALA HA . 10072 1 978 . 1 1 85 85 ALA HB1 H 1 1.473 0.030 . 1 . . . . 85 ALA HB . 10072 1 979 . 1 1 85 85 ALA HB2 H 1 1.473 0.030 . 1 . . . . 85 ALA HB . 10072 1 980 . 1 1 85 85 ALA HB3 H 1 1.473 0.030 . 1 . . . . 85 ALA HB . 10072 1 981 . 1 1 85 85 ALA C C 13 177.283 0.300 . 1 . . . . 85 ALA C . 10072 1 982 . 1 1 85 85 ALA CA C 13 53.903 0.300 . 1 . . . . 85 ALA CA . 10072 1 983 . 1 1 85 85 ALA CB C 13 18.939 0.300 . 1 . . . . 85 ALA CB . 10072 1 984 . 1 1 85 85 ALA N N 15 127.637 0.300 . 1 . . . . 85 ALA N . 10072 1 985 . 1 1 86 86 ALA H H 1 8.041 0.030 . 1 . . . . 86 ALA H . 10072 1 986 . 1 1 86 86 ALA HA H 1 4.301 0.030 . 1 . . . . 86 ALA HA . 10072 1 987 . 1 1 86 86 ALA HB1 H 1 1.337 0.030 . 1 . . . . 86 ALA HB . 10072 1 988 . 1 1 86 86 ALA HB2 H 1 1.337 0.030 . 1 . . . . 86 ALA HB . 10072 1 989 . 1 1 86 86 ALA HB3 H 1 1.337 0.030 . 1 . . . . 86 ALA HB . 10072 1 990 . 1 1 86 86 ALA C C 13 176.882 0.300 . 1 . . . . 86 ALA C . 10072 1 991 . 1 1 86 86 ALA CA C 13 52.077 0.300 . 1 . . . . 86 ALA CA . 10072 1 992 . 1 1 86 86 ALA CB C 13 19.894 0.300 . 1 . . . . 86 ALA CB . 10072 1 993 . 1 1 86 86 ALA N N 15 119.010 0.300 . 1 . . . . 86 ALA N . 10072 1 994 . 1 1 87 87 GLU H H 1 7.950 0.030 . 1 . . . . 87 GLU H . 10072 1 995 . 1 1 87 87 GLU HA H 1 4.540 0.030 . 1 . . . . 87 GLU HA . 10072 1 996 . 1 1 87 87 GLU HB2 H 1 1.997 0.030 . 2 . . . . 87 GLU HB2 . 10072 1 997 . 1 1 87 87 GLU HB3 H 1 1.855 0.030 . 2 . . . . 87 GLU HB3 . 10072 1 998 . 1 1 87 87 GLU HG2 H 1 2.222 0.030 . 2 . . . . 87 GLU HG2 . 10072 1 999 . 1 1 87 87 GLU HG3 H 1 2.156 0.030 . 2 . . . . 87 GLU HG3 . 10072 1 1000 . 1 1 87 87 GLU C C 13 173.340 0.300 . 1 . . . . 87 GLU C . 10072 1 1001 . 1 1 87 87 GLU CA C 13 53.811 0.300 . 1 . . . . 87 GLU CA . 10072 1 1002 . 1 1 87 87 GLU CB C 13 30.218 0.300 . 1 . . . . 87 GLU CB . 10072 1 1003 . 1 1 87 87 GLU CG C 13 35.902 0.300 . 1 . . . . 87 GLU CG . 10072 1 1004 . 1 1 87 87 GLU N N 15 119.663 0.300 . 1 . . . . 87 GLU N . 10072 1 1005 . 1 1 88 88 PRO HA H 1 4.283 0.030 . 1 . . . . 88 PRO HA . 10072 1 1006 . 1 1 88 88 PRO HB2 H 1 2.129 0.030 . 2 . . . . 88 PRO HB2 . 10072 1 1007 . 1 1 88 88 PRO HB3 H 1 1.787 0.030 . 2 . . . . 88 PRO HB3 . 10072 1 1008 . 1 1 88 88 PRO HG2 H 1 1.913 0.030 . 2 . . . . 88 PRO HG2 . 10072 1 1009 . 1 1 88 88 PRO HG3 H 1 1.866 0.030 . 2 . . . . 88 PRO HG3 . 10072 1 1010 . 1 1 88 88 PRO HD2 H 1 3.577 0.030 . 2 . . . . 88 PRO HD2 . 10072 1 1011 . 1 1 88 88 PRO HD3 H 1 3.532 0.030 . 2 . . . . 88 PRO HD3 . 10072 1 1012 . 1 1 88 88 PRO C C 13 176.848 0.300 . 1 . . . . 88 PRO C . 10072 1 1013 . 1 1 88 88 PRO CA C 13 62.999 0.300 . 1 . . . . 88 PRO CA . 10072 1 1014 . 1 1 88 88 PRO CB C 13 31.990 0.300 . 1 . . . . 88 PRO CB . 10072 1 1015 . 1 1 88 88 PRO CG C 13 27.311 0.300 . 1 . . . . 88 PRO CG . 10072 1 1016 . 1 1 88 88 PRO CD C 13 50.370 0.300 . 1 . . . . 88 PRO CD . 10072 1 1017 . 1 1 89 89 LYS H H 1 8.277 0.030 . 1 . . . . 89 LYS H . 10072 1 1018 . 1 1 89 89 LYS HA H 1 4.231 0.030 . 1 . . . . 89 LYS HA . 10072 1 1019 . 1 1 89 89 LYS HB2 H 1 1.759 0.030 . 2 . . . . 89 LYS HB2 . 10072 1 1020 . 1 1 89 89 LYS HB3 H 1 1.681 0.030 . 2 . . . . 89 LYS HB3 . 10072 1 1021 . 1 1 89 89 LYS HG2 H 1 1.441 0.030 . 2 . . . . 89 LYS HG2 . 10072 1 1022 . 1 1 89 89 LYS HG3 H 1 1.371 0.030 . 2 . . . . 89 LYS HG3 . 10072 1 1023 . 1 1 89 89 LYS HD2 H 1 1.703 0.030 . 1 . . . . 89 LYS HD2 . 10072 1 1024 . 1 1 89 89 LYS HD3 H 1 1.703 0.030 . 1 . . . . 89 LYS HD3 . 10072 1 1025 . 1 1 89 89 LYS HE2 H 1 3.014 0.030 . 1 . . . . 89 LYS HE2 . 10072 1 1026 . 1 1 89 89 LYS HE3 H 1 3.014 0.030 . 1 . . . . 89 LYS HE3 . 10072 1 1027 . 1 1 89 89 LYS C C 13 176.856 0.300 . 1 . . . . 89 LYS C . 10072 1 1028 . 1 1 89 89 LYS CA C 13 56.575 0.300 . 1 . . . . 89 LYS CA . 10072 1 1029 . 1 1 89 89 LYS CB C 13 33.040 0.300 . 1 . . . . 89 LYS CB . 10072 1 1030 . 1 1 89 89 LYS CG C 13 25.124 0.300 . 1 . . . . 89 LYS CG . 10072 1 1031 . 1 1 89 89 LYS CD C 13 29.202 0.300 . 1 . . . . 89 LYS CD . 10072 1 1032 . 1 1 89 89 LYS CE C 13 42.241 0.300 . 1 . . . . 89 LYS CE . 10072 1 1033 . 1 1 89 89 LYS N N 15 121.463 0.300 . 1 . . . . 89 LYS N . 10072 1 1034 . 1 1 90 90 VAL H H 1 8.089 0.030 . 1 . . . . 90 VAL H . 10072 1 1035 . 1 1 90 90 VAL HA H 1 4.042 0.030 . 1 . . . . 90 VAL HA . 10072 1 1036 . 1 1 90 90 VAL HB H 1 1.998 0.030 . 1 . . . . 90 VAL HB . 10072 1 1037 . 1 1 90 90 VAL HG11 H 1 0.881 0.030 . 1 . . . . 90 VAL HG1 . 10072 1 1038 . 1 1 90 90 VAL HG12 H 1 0.881 0.030 . 1 . . . . 90 VAL HG1 . 10072 1 1039 . 1 1 90 90 VAL HG13 H 1 0.881 0.030 . 1 . . . . 90 VAL HG1 . 10072 1 1040 . 1 1 90 90 VAL HG21 H 1 0.881 0.030 . 1 . . . . 90 VAL HG2 . 10072 1 1041 . 1 1 90 90 VAL HG22 H 1 0.881 0.030 . 1 . . . . 90 VAL HG2 . 10072 1 1042 . 1 1 90 90 VAL HG23 H 1 0.881 0.030 . 1 . . . . 90 VAL HG2 . 10072 1 1043 . 1 1 90 90 VAL C C 13 175.677 0.300 . 1 . . . . 90 VAL C . 10072 1 1044 . 1 1 90 90 VAL CA C 13 62.147 0.300 . 1 . . . . 90 VAL CA . 10072 1 1045 . 1 1 90 90 VAL CB C 13 32.935 0.300 . 1 . . . . 90 VAL CB . 10072 1 1046 . 1 1 90 90 VAL CG1 C 13 20.486 0.300 . 1 . . . . 90 VAL CG1 . 10072 1 1047 . 1 1 90 90 VAL CG2 C 13 20.486 0.300 . 1 . . . . 90 VAL CG2 . 10072 1 1048 . 1 1 90 90 VAL N N 15 120.882 0.300 . 1 . . . . 90 VAL N . 10072 1 1049 . 1 1 91 91 ASN H H 1 8.498 0.030 . 1 . . . . 91 ASN H . 10072 1 1050 . 1 1 91 91 ASN HA H 1 4.676 0.030 . 1 . . . . 91 ASN HA . 10072 1 1051 . 1 1 91 91 ASN HB2 H 1 2.816 0.030 . 2 . . . . 91 ASN HB2 . 10072 1 1052 . 1 1 91 91 ASN HB3 H 1 2.721 0.030 . 2 . . . . 91 ASN HB3 . 10072 1 1053 . 1 1 91 91 ASN HD21 H 1 7.579 0.030 . 2 . . . . 91 ASN HD21 . 10072 1 1054 . 1 1 91 91 ASN HD22 H 1 6.884 0.030 . 2 . . . . 91 ASN HD22 . 10072 1 1055 . 1 1 91 91 ASN C C 13 175.154 0.300 . 1 . . . . 91 ASN C . 10072 1 1056 . 1 1 91 91 ASN CA C 13 53.170 0.300 . 1 . . . . 91 ASN CA . 10072 1 1057 . 1 1 91 91 ASN CB C 13 38.770 0.300 . 1 . . . . 91 ASN CB . 10072 1 1058 . 1 1 91 91 ASN N N 15 122.448 0.300 . 1 . . . . 91 ASN N . 10072 1 1059 . 1 1 91 91 ASN ND2 N 15 112.825 0.300 . 1 . . . . 91 ASN ND2 . 10072 1 1060 . 1 1 95 95 PRO HA H 1 4.466 0.030 . 1 . . . . 95 PRO HA . 10072 1 1061 . 1 1 95 95 PRO HB2 H 1 2.289 0.030 . 2 . . . . 95 PRO HB2 . 10072 1 1062 . 1 1 95 95 PRO HB3 H 1 1.981 0.030 . 2 . . . . 95 PRO HB3 . 10072 1 1063 . 1 1 95 95 PRO HG2 H 1 2.005 0.030 . 1 . . . . 95 PRO HG2 . 10072 1 1064 . 1 1 95 95 PRO HG3 H 1 2.005 0.030 . 1 . . . . 95 PRO HG3 . 10072 1 1065 . 1 1 95 95 PRO HD2 H 1 3.609 0.030 . 1 . . . . 95 PRO HD2 . 10072 1 1066 . 1 1 95 95 PRO HD3 H 1 3.609 0.030 . 1 . . . . 95 PRO HD3 . 10072 1 1067 . 1 1 95 95 PRO CA C 13 63.296 0.300 . 1 . . . . 95 PRO CA . 10072 1 1068 . 1 1 95 95 PRO CB C 13 32.071 0.300 . 1 . . . . 95 PRO CB . 10072 1 1069 . 1 1 95 95 PRO CG C 13 27.137 0.300 . 1 . . . . 95 PRO CG . 10072 1 1070 . 1 1 95 95 PRO CD C 13 49.811 0.300 . 1 . . . . 95 PRO CD . 10072 1 stop_ save_