data_10044 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10044 _Entry.Title ; Solution structure of homeobox domain of Arabidopsisthaliana zinc finger homeobox family protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-09 _Entry.Accession_date 2006-11-10 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _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 D. Kaneno . . . 10044 2 N. Tochio . . . 10044 3 K. Saito . . . 10044 4 S. Koshiba . . . 10044 5 M. Inoue . . . 10044 6 T. Kigawa . . . 10044 7 S. Yokoyama . . . 10044 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' . 10044 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10044 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 10044 '15N chemical shifts' 78 10044 '1H chemical shifts' 498 10044 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 . . 2008-08-13 2006-11-09 original author . 10044 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WH5 'BMRB Entry Tracking System' 10044 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10044 _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 homeobox domain of Arabidopsisthaliana zinc finger homeobox family 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 D. Kaneno . . . 10044 1 2 N. Tochio . . . 10044 1 3 K. Saito . . . 10044 1 4 S. Koshiba . . . 10044 1 5 M. Inoue . . . 10044 1 6 T. Kigawa . . . 10044 1 7 S. Yokoyama . . . 10044 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10044 _Assembly.ID 1 _Assembly.Name ZF-HD_homeobox_family_protein _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' 10044 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 'ZF-HD homeobox family protein' 1 $entity_1 . . yes native no no . . . 10044 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 1WH5 . . . . . . 10044 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10044 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'homeobox 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 ; GSSGSSGSSAEAGGGIRKRH RTKFTAEQKERMLALAERIG WRIQRQDDEVIQRFCQETGV PRQVLKVWLHNNKHSGPSSG ; _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 80 _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 1WH5 . "Solution Structure Of Homeobox Domain Of Arabidopsisthaliana Zinc Finger Homeobox Family Protein" . . . . . 100.00 80 100.00 100.00 7.46e-50 . . . . 10044 1 2 no DBJ BAB11563 . "unnamed protein product [Arabidopsis thaliana]" . . . . . 85.00 279 98.53 100.00 3.54e-40 . . . . 10044 1 3 no GB AAO00745 . "putative protein [Arabidopsis thaliana]" . . . . . 85.00 279 98.53 100.00 3.54e-40 . . . . 10044 1 4 no GB AAP13412 . "At5g65410 [Arabidopsis thaliana]" . . . . . 85.00 279 98.53 100.00 3.54e-40 . . . . 10044 1 5 no GB AED98048 . "homeobox protein 25 [Arabidopsis thaliana]" . . . . . 85.00 279 98.53 100.00 3.54e-40 . . . . 10044 1 6 no REF NP_201344 . "homeobox protein 25 [Arabidopsis thaliana]" . . . . . 85.00 279 98.53 100.00 3.54e-40 . . . . 10044 1 7 no SP Q9FKP8 . "RecName: Full=Zinc-finger homeodomain protein 1; Short=AtZHD1; AltName: Full=Homeobox protein 25; Short=AtHB-25; AltName: Full=" . . . . . 85.00 279 98.53 100.00 3.54e-40 . . . . 10044 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10044 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 . 10044 1 2 . SER . 10044 1 3 . SER . 10044 1 4 . GLY . 10044 1 5 . SER . 10044 1 6 . SER . 10044 1 7 . GLY . 10044 1 8 . SER . 10044 1 9 . SER . 10044 1 10 . ALA . 10044 1 11 . GLU . 10044 1 12 . ALA . 10044 1 13 . GLY . 10044 1 14 . GLY . 10044 1 15 . GLY . 10044 1 16 . ILE . 10044 1 17 . ARG . 10044 1 18 . LYS . 10044 1 19 . ARG . 10044 1 20 . HIS . 10044 1 21 . ARG . 10044 1 22 . THR . 10044 1 23 . LYS . 10044 1 24 . PHE . 10044 1 25 . THR . 10044 1 26 . ALA . 10044 1 27 . GLU . 10044 1 28 . GLN . 10044 1 29 . LYS . 10044 1 30 . GLU . 10044 1 31 . ARG . 10044 1 32 . MET . 10044 1 33 . LEU . 10044 1 34 . ALA . 10044 1 35 . LEU . 10044 1 36 . ALA . 10044 1 37 . GLU . 10044 1 38 . ARG . 10044 1 39 . ILE . 10044 1 40 . GLY . 10044 1 41 . TRP . 10044 1 42 . ARG . 10044 1 43 . ILE . 10044 1 44 . GLN . 10044 1 45 . ARG . 10044 1 46 . GLN . 10044 1 47 . ASP . 10044 1 48 . ASP . 10044 1 49 . GLU . 10044 1 50 . VAL . 10044 1 51 . ILE . 10044 1 52 . GLN . 10044 1 53 . ARG . 10044 1 54 . PHE . 10044 1 55 . CYS . 10044 1 56 . GLN . 10044 1 57 . GLU . 10044 1 58 . THR . 10044 1 59 . GLY . 10044 1 60 . VAL . 10044 1 61 . PRO . 10044 1 62 . ARG . 10044 1 63 . GLN . 10044 1 64 . VAL . 10044 1 65 . LEU . 10044 1 66 . LYS . 10044 1 67 . VAL . 10044 1 68 . TRP . 10044 1 69 . LEU . 10044 1 70 . HIS . 10044 1 71 . ASN . 10044 1 72 . ASN . 10044 1 73 . LYS . 10044 1 74 . HIS . 10044 1 75 . SER . 10044 1 76 . GLY . 10044 1 77 . PRO . 10044 1 78 . SER . 10044 1 79 . SER . 10044 1 80 . GLY . 10044 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 10044 1 . SER 2 2 10044 1 . SER 3 3 10044 1 . GLY 4 4 10044 1 . SER 5 5 10044 1 . SER 6 6 10044 1 . GLY 7 7 10044 1 . SER 8 8 10044 1 . SER 9 9 10044 1 . ALA 10 10 10044 1 . GLU 11 11 10044 1 . ALA 12 12 10044 1 . GLY 13 13 10044 1 . GLY 14 14 10044 1 . GLY 15 15 10044 1 . ILE 16 16 10044 1 . ARG 17 17 10044 1 . LYS 18 18 10044 1 . ARG 19 19 10044 1 . HIS 20 20 10044 1 . ARG 21 21 10044 1 . THR 22 22 10044 1 . LYS 23 23 10044 1 . PHE 24 24 10044 1 . THR 25 25 10044 1 . ALA 26 26 10044 1 . GLU 27 27 10044 1 . GLN 28 28 10044 1 . LYS 29 29 10044 1 . GLU 30 30 10044 1 . ARG 31 31 10044 1 . MET 32 32 10044 1 . LEU 33 33 10044 1 . ALA 34 34 10044 1 . LEU 35 35 10044 1 . ALA 36 36 10044 1 . GLU 37 37 10044 1 . ARG 38 38 10044 1 . ILE 39 39 10044 1 . GLY 40 40 10044 1 . TRP 41 41 10044 1 . ARG 42 42 10044 1 . ILE 43 43 10044 1 . GLN 44 44 10044 1 . ARG 45 45 10044 1 . GLN 46 46 10044 1 . ASP 47 47 10044 1 . ASP 48 48 10044 1 . GLU 49 49 10044 1 . VAL 50 50 10044 1 . ILE 51 51 10044 1 . GLN 52 52 10044 1 . ARG 53 53 10044 1 . PHE 54 54 10044 1 . CYS 55 55 10044 1 . GLN 56 56 10044 1 . GLU 57 57 10044 1 . THR 58 58 10044 1 . GLY 59 59 10044 1 . VAL 60 60 10044 1 . PRO 61 61 10044 1 . ARG 62 62 10044 1 . GLN 63 63 10044 1 . VAL 64 64 10044 1 . LEU 65 65 10044 1 . LYS 66 66 10044 1 . VAL 67 67 10044 1 . TRP 68 68 10044 1 . LEU 69 69 10044 1 . HIS 70 70 10044 1 . ASN 71 71 10044 1 . ASN 72 72 10044 1 . LYS 73 73 10044 1 . HIS 74 74 10044 1 . SER 75 75 10044 1 . GLY 76 76 10044 1 . PRO 77 77 10044 1 . SER 78 78 10044 1 . SER 79 79 10044 1 . GLY 80 80 10044 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 10044 _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 . 3702 . . . 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 10044 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 10044 _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 . . P030107-56 . . . . . . 10044 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10044 _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 'homeobox domain' '[U-15N, U-13C]' . . 1 $entity_1 . . 1.1 . . mM . . . . 10044 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10044 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10044 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10044 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10044 1 6 H2O . . . . . . solvent 90 . . % . . . . 10044 1 7 D2O . . . . . . solvent 10 . . % . . . . 10044 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 10044 _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 10044 1 pH 6.0 0.05 pH 10044 1 pressure 1 0.001 atm 10044 1 temperature 298 0.1 K 10044 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10044 _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 . . 10044 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10044 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10044 _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.' . . 10044 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10044 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10044 _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.' . . 10044 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10044 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10044 _Software.ID 4 _Software.Name Kujira _Software.Version 0.811 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10044 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10044 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10044 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10044 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10044 5 'structure solution' 10044 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 10044 _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 10044 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10044 1 2 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10044 1 stop_ 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 10044 _NMR_spec_expt.ID 1 _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_ 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 10044 _NMR_spec_expt.ID 2 _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_ #################### # 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 10044 _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 . . . . . . . . . 10044 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10044 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10044 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 10044 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_13C-separated_NOESY 1 $sample_1 isotropic 10044 1 2 3D_15N-separated_NOESY 1 $sample_1 isotropic 10044 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 8 8 SER HA H 1 4.539 0.030 . 1 . . . . 8 SER HA . 10044 1 2 . 1 1 8 8 SER HB2 H 1 3.912 0.030 . 1 . . . . 8 SER HB2 . 10044 1 3 . 1 1 8 8 SER HB3 H 1 3.912 0.030 . 1 . . . . 8 SER HB3 . 10044 1 4 . 1 1 8 8 SER C C 13 174.920 0.300 . 1 . . . . 8 SER C . 10044 1 5 . 1 1 8 8 SER CA C 13 58.331 0.300 . 1 . . . . 8 SER CA . 10044 1 6 . 1 1 8 8 SER CB C 13 64.101 0.300 . 1 . . . . 8 SER CB . 10044 1 7 . 1 1 9 9 SER H H 1 8.441 0.030 . 1 . . . . 9 SER H . 10044 1 8 . 1 1 9 9 SER HA H 1 4.488 0.030 . 1 . . . . 9 SER HA . 10044 1 9 . 1 1 9 9 SER HB2 H 1 3.964 0.030 . 2 . . . . 9 SER HB2 . 10044 1 10 . 1 1 9 9 SER HB3 H 1 3.902 0.030 . 2 . . . . 9 SER HB3 . 10044 1 11 . 1 1 9 9 SER C C 13 174.628 0.300 . 1 . . . . 9 SER C . 10044 1 12 . 1 1 9 9 SER CA C 13 58.647 0.300 . 1 . . . . 9 SER CA . 10044 1 13 . 1 1 9 9 SER CB C 13 63.772 0.300 . 1 . . . . 9 SER CB . 10044 1 14 . 1 1 9 9 SER N N 15 118.084 0.300 . 1 . . . . 9 SER N . 10044 1 15 . 1 1 10 10 ALA H H 1 8.347 0.030 . 1 . . . . 10 ALA H . 10044 1 16 . 1 1 10 10 ALA HA H 1 4.327 0.030 . 1 . . . . 10 ALA HA . 10044 1 17 . 1 1 10 10 ALA HB1 H 1 1.422 0.030 . 1 . . . . 10 ALA HB . 10044 1 18 . 1 1 10 10 ALA HB2 H 1 1.422 0.030 . 1 . . . . 10 ALA HB . 10044 1 19 . 1 1 10 10 ALA HB3 H 1 1.422 0.030 . 1 . . . . 10 ALA HB . 10044 1 20 . 1 1 10 10 ALA C C 13 178.029 0.300 . 1 . . . . 10 ALA C . 10044 1 21 . 1 1 10 10 ALA CA C 13 52.915 0.300 . 1 . . . . 10 ALA CA . 10044 1 22 . 1 1 10 10 ALA CB C 13 19.194 0.300 . 1 . . . . 10 ALA CB . 10044 1 23 . 1 1 10 10 ALA N N 15 125.819 0.300 . 1 . . . . 10 ALA N . 10044 1 24 . 1 1 11 11 GLU H H 1 8.271 0.030 . 1 . . . . 11 GLU H . 10044 1 25 . 1 1 11 11 GLU HA H 1 4.253 0.030 . 1 . . . . 11 GLU HA . 10044 1 26 . 1 1 11 11 GLU HB2 H 1 2.066 0.030 . 2 . . . . 11 GLU HB2 . 10044 1 27 . 1 1 11 11 GLU HB3 H 1 1.945 0.030 . 2 . . . . 11 GLU HB3 . 10044 1 28 . 1 1 11 11 GLU HG2 H 1 2.277 0.030 . 1 . . . . 11 GLU HG2 . 10044 1 29 . 1 1 11 11 GLU HG3 H 1 2.277 0.030 . 1 . . . . 11 GLU HG3 . 10044 1 30 . 1 1 11 11 GLU C C 13 176.620 0.300 . 1 . . . . 11 GLU C . 10044 1 31 . 1 1 11 11 GLU CA C 13 56.653 0.300 . 1 . . . . 11 GLU CA . 10044 1 32 . 1 1 11 11 GLU CB C 13 30.158 0.300 . 1 . . . . 11 GLU CB . 10044 1 33 . 1 1 11 11 GLU CG C 13 36.322 0.300 . 1 . . . . 11 GLU CG . 10044 1 34 . 1 1 11 11 GLU N N 15 119.663 0.300 . 1 . . . . 11 GLU N . 10044 1 35 . 1 1 12 12 ALA H H 1 8.304 0.030 . 1 . . . . 12 ALA H . 10044 1 36 . 1 1 12 12 ALA HA H 1 4.341 0.030 . 1 . . . . 12 ALA HA . 10044 1 37 . 1 1 12 12 ALA HB1 H 1 1.419 0.030 . 1 . . . . 12 ALA HB . 10044 1 38 . 1 1 12 12 ALA HB2 H 1 1.419 0.030 . 1 . . . . 12 ALA HB . 10044 1 39 . 1 1 12 12 ALA HB3 H 1 1.419 0.030 . 1 . . . . 12 ALA HB . 10044 1 40 . 1 1 12 12 ALA C C 13 178.490 0.300 . 1 . . . . 12 ALA C . 10044 1 41 . 1 1 12 12 ALA CA C 13 52.862 0.300 . 1 . . . . 12 ALA CA . 10044 1 42 . 1 1 12 12 ALA CB C 13 19.094 0.300 . 1 . . . . 12 ALA CB . 10044 1 43 . 1 1 12 12 ALA N N 15 125.188 0.300 . 1 . . . . 12 ALA N . 10044 1 44 . 1 1 13 13 GLY H H 1 8.421 0.030 . 1 . . . . 13 GLY H . 10044 1 45 . 1 1 13 13 GLY HA2 H 1 4.000 0.030 . 1 . . . . 13 GLY HA2 . 10044 1 46 . 1 1 13 13 GLY HA3 H 1 4.000 0.030 . 1 . . . . 13 GLY HA3 . 10044 1 47 . 1 1 13 13 GLY C C 13 175.041 0.300 . 1 . . . . 13 GLY C . 10044 1 48 . 1 1 13 13 GLY CA C 13 45.543 0.300 . 1 . . . . 13 GLY CA . 10044 1 49 . 1 1 13 13 GLY N N 15 108.329 0.300 . 1 . . . . 13 GLY N . 10044 1 50 . 1 1 14 14 GLY H H 1 8.300 0.030 . 1 . . . . 14 GLY H . 10044 1 51 . 1 1 14 14 GLY HA2 H 1 4.000 0.030 . 1 . . . . 14 GLY HA2 . 10044 1 52 . 1 1 14 14 GLY HA3 H 1 4.000 0.030 . 1 . . . . 14 GLY HA3 . 10044 1 53 . 1 1 14 14 GLY C C 13 174.896 0.300 . 1 . . . . 14 GLY C . 10044 1 54 . 1 1 14 14 GLY CA C 13 45.490 0.300 . 1 . . . . 14 GLY CA . 10044 1 55 . 1 1 14 14 GLY N N 15 108.613 0.300 . 1 . . . . 14 GLY N . 10044 1 56 . 1 1 15 15 GLY H H 1 8.318 0.030 . 1 . . . . 15 GLY H . 10044 1 57 . 1 1 15 15 GLY HA2 H 1 3.987 0.030 . 1 . . . . 15 GLY HA2 . 10044 1 58 . 1 1 15 15 GLY HA3 H 1 3.987 0.030 . 1 . . . . 15 GLY HA3 . 10044 1 59 . 1 1 15 15 GLY C C 13 174.313 0.300 . 1 . . . . 15 GLY C . 10044 1 60 . 1 1 15 15 GLY CA C 13 45.314 0.300 . 1 . . . . 15 GLY CA . 10044 1 61 . 1 1 15 15 GLY N N 15 108.842 0.300 . 1 . . . . 15 GLY N . 10044 1 62 . 1 1 16 16 ILE H H 1 8.022 0.030 . 1 . . . . 16 ILE H . 10044 1 63 . 1 1 16 16 ILE HA H 1 4.138 0.030 . 1 . . . . 16 ILE HA . 10044 1 64 . 1 1 16 16 ILE HB H 1 1.875 0.030 . 1 . . . . 16 ILE HB . 10044 1 65 . 1 1 16 16 ILE HG12 H 1 1.483 0.030 . 2 . . . . 16 ILE HG12 . 10044 1 66 . 1 1 16 16 ILE HG13 H 1 1.204 0.030 . 2 . . . . 16 ILE HG13 . 10044 1 67 . 1 1 16 16 ILE HG21 H 1 0.908 0.030 . 1 . . . . 16 ILE HG2 . 10044 1 68 . 1 1 16 16 ILE HG22 H 1 0.908 0.030 . 1 . . . . 16 ILE HG2 . 10044 1 69 . 1 1 16 16 ILE HG23 H 1 0.908 0.030 . 1 . . . . 16 ILE HG2 . 10044 1 70 . 1 1 16 16 ILE HD11 H 1 0.872 0.030 . 1 . . . . 16 ILE HD1 . 10044 1 71 . 1 1 16 16 ILE HD12 H 1 0.872 0.030 . 1 . . . . 16 ILE HD1 . 10044 1 72 . 1 1 16 16 ILE HD13 H 1 0.872 0.030 . 1 . . . . 16 ILE HD1 . 10044 1 73 . 1 1 16 16 ILE C C 13 176.560 0.300 . 1 . . . . 16 ILE C . 10044 1 74 . 1 1 16 16 ILE CA C 13 61.504 0.300 . 1 . . . . 16 ILE CA . 10044 1 75 . 1 1 16 16 ILE CB C 13 38.619 0.300 . 1 . . . . 16 ILE CB . 10044 1 76 . 1 1 16 16 ILE CG1 C 13 27.502 0.300 . 1 . . . . 16 ILE CG1 . 10044 1 77 . 1 1 16 16 ILE CG2 C 13 17.610 0.300 . 1 . . . . 16 ILE CG2 . 10044 1 78 . 1 1 16 16 ILE CD1 C 13 12.993 0.300 . 1 . . . . 16 ILE CD1 . 10044 1 79 . 1 1 16 16 ILE N N 15 120.136 0.300 . 1 . . . . 16 ILE N . 10044 1 80 . 1 1 17 17 ARG H H 1 8.394 0.030 . 1 . . . . 17 ARG H . 10044 1 81 . 1 1 17 17 ARG HA H 1 4.338 0.030 . 1 . . . . 17 ARG HA . 10044 1 82 . 1 1 17 17 ARG HB2 H 1 1.858 0.030 . 2 . . . . 17 ARG HB2 . 10044 1 83 . 1 1 17 17 ARG HB3 H 1 1.782 0.030 . 2 . . . . 17 ARG HB3 . 10044 1 84 . 1 1 17 17 ARG HG2 H 1 1.669 0.030 . 1 . . . . 17 ARG HG2 . 10044 1 85 . 1 1 17 17 ARG HG3 H 1 1.669 0.030 . 1 . . . . 17 ARG HG3 . 10044 1 86 . 1 1 17 17 ARG HD2 H 1 3.223 0.030 . 1 . . . . 17 ARG HD2 . 10044 1 87 . 1 1 17 17 ARG HD3 H 1 3.223 0.030 . 1 . . . . 17 ARG HD3 . 10044 1 88 . 1 1 17 17 ARG C C 13 176.316 0.300 . 1 . . . . 17 ARG C . 10044 1 89 . 1 1 17 17 ARG CA C 13 56.178 0.300 . 1 . . . . 17 ARG CA . 10044 1 90 . 1 1 17 17 ARG CB C 13 30.529 0.300 . 1 . . . . 17 ARG CB . 10044 1 91 . 1 1 17 17 ARG CG C 13 27.254 0.300 . 1 . . . . 17 ARG CG . 10044 1 92 . 1 1 17 17 ARG CD C 13 43.329 0.300 . 1 . . . . 17 ARG CD . 10044 1 93 . 1 1 17 17 ARG N N 15 124.872 0.300 . 1 . . . . 17 ARG N . 10044 1 94 . 1 1 18 18 LYS H H 1 8.280 0.030 . 1 . . . . 18 LYS H . 10044 1 95 . 1 1 18 18 LYS HA H 1 4.276 0.030 . 1 . . . . 18 LYS HA . 10044 1 96 . 1 1 18 18 LYS HB2 H 1 1.788 0.030 . 2 . . . . 18 LYS HB2 . 10044 1 97 . 1 1 18 18 LYS HB3 H 1 1.731 0.030 . 2 . . . . 18 LYS HB3 . 10044 1 98 . 1 1 18 18 LYS HG2 H 1 1.440 0.030 . 2 . . . . 18 LYS HG2 . 10044 1 99 . 1 1 18 18 LYS HG3 H 1 1.376 0.030 . 2 . . . . 18 LYS HG3 . 10044 1 100 . 1 1 18 18 LYS HD2 H 1 1.731 0.030 . 1 . . . . 18 LYS HD2 . 10044 1 101 . 1 1 18 18 LYS HD3 H 1 1.731 0.030 . 1 . . . . 18 LYS HD3 . 10044 1 102 . 1 1 18 18 LYS HE2 H 1 3.010 0.030 . 1 . . . . 18 LYS HE2 . 10044 1 103 . 1 1 18 18 LYS HE3 H 1 3.010 0.030 . 1 . . . . 18 LYS HE3 . 10044 1 104 . 1 1 18 18 LYS C C 13 176.450 0.300 . 1 . . . . 18 LYS C . 10044 1 105 . 1 1 18 18 LYS CA C 13 56.354 0.300 . 1 . . . . 18 LYS CA . 10044 1 106 . 1 1 18 18 LYS CB C 13 33.073 0.300 . 1 . . . . 18 LYS CB . 10044 1 107 . 1 1 18 18 LYS CG C 13 25.056 0.300 . 1 . . . . 18 LYS CG . 10044 1 108 . 1 1 18 18 LYS CD C 13 29.068 0.300 . 1 . . . . 18 LYS CD . 10044 1 109 . 1 1 18 18 LYS CE C 13 42.075 0.300 . 1 . . . . 18 LYS CE . 10044 1 110 . 1 1 18 18 LYS N N 15 122.766 0.300 . 1 . . . . 18 LYS N . 10044 1 111 . 1 1 19 19 ARG H H 1 8.329 0.030 . 1 . . . . 19 ARG H . 10044 1 112 . 1 1 19 19 ARG HA H 1 4.308 0.030 . 1 . . . . 19 ARG HA . 10044 1 113 . 1 1 19 19 ARG HB2 H 1 1.785 0.030 . 1 . . . . 19 ARG HB2 . 10044 1 114 . 1 1 19 19 ARG HB3 H 1 1.785 0.030 . 1 . . . . 19 ARG HB3 . 10044 1 115 . 1 1 19 19 ARG HG2 H 1 1.618 0.030 . 1 . . . . 19 ARG HG2 . 10044 1 116 . 1 1 19 19 ARG HG3 H 1 1.618 0.030 . 1 . . . . 19 ARG HG3 . 10044 1 117 . 1 1 19 19 ARG HD2 H 1 3.194 0.030 . 1 . . . . 19 ARG HD2 . 10044 1 118 . 1 1 19 19 ARG HD3 H 1 3.194 0.030 . 1 . . . . 19 ARG HD3 . 10044 1 119 . 1 1 19 19 ARG C C 13 176.098 0.300 . 1 . . . . 19 ARG C . 10044 1 120 . 1 1 19 19 ARG CA C 13 56.107 0.300 . 1 . . . . 19 ARG CA . 10044 1 121 . 1 1 19 19 ARG CB C 13 30.900 0.300 . 1 . . . . 19 ARG CB . 10044 1 122 . 1 1 19 19 ARG CG C 13 27.172 0.300 . 1 . . . . 19 ARG CG . 10044 1 123 . 1 1 19 19 ARG CD C 13 43.411 0.300 . 1 . . . . 19 ARG CD . 10044 1 124 . 1 1 19 19 ARG N N 15 122.188 0.300 . 1 . . . . 19 ARG N . 10044 1 125 . 1 1 20 20 HIS H H 1 8.487 0.030 . 1 . . . . 20 HIS H . 10044 1 126 . 1 1 20 20 HIS HA H 1 4.701 0.030 . 1 . . . . 20 HIS HA . 10044 1 127 . 1 1 20 20 HIS HB2 H 1 3.117 0.030 . 2 . . . . 20 HIS HB2 . 10044 1 128 . 1 1 20 20 HIS HB3 H 1 3.194 0.030 . 2 . . . . 20 HIS HB3 . 10044 1 129 . 1 1 20 20 HIS HD2 H 1 7.139 0.030 . 1 . . . . 20 HIS HD2 . 10044 1 130 . 1 1 20 20 HIS C C 13 174.969 0.300 . 1 . . . . 20 HIS C . 10044 1 131 . 1 1 20 20 HIS CA C 13 55.895 0.300 . 1 . . . . 20 HIS CA . 10044 1 132 . 1 1 20 20 HIS CB C 13 30.405 0.300 . 1 . . . . 20 HIS CB . 10044 1 133 . 1 1 20 20 HIS CD2 C 13 120.053 0.300 . 1 . . . . 20 HIS CD2 . 10044 1 134 . 1 1 20 20 HIS N N 15 121.083 0.300 . 1 . . . . 20 HIS N . 10044 1 135 . 1 1 21 21 ARG H H 1 8.507 0.030 . 1 . . . . 21 ARG H . 10044 1 136 . 1 1 21 21 ARG HA H 1 4.406 0.030 . 1 . . . . 21 ARG HA . 10044 1 137 . 1 1 21 21 ARG HB2 H 1 1.851 0.030 . 2 . . . . 21 ARG HB2 . 10044 1 138 . 1 1 21 21 ARG HB3 H 1 1.784 0.030 . 2 . . . . 21 ARG HB3 . 10044 1 139 . 1 1 21 21 ARG HG2 H 1 1.631 0.030 . 1 . . . . 21 ARG HG2 . 10044 1 140 . 1 1 21 21 ARG HG3 H 1 1.631 0.030 . 1 . . . . 21 ARG HG3 . 10044 1 141 . 1 1 21 21 ARG HD2 H 1 3.214 0.030 . 1 . . . . 21 ARG HD2 . 10044 1 142 . 1 1 21 21 ARG HD3 H 1 3.214 0.030 . 1 . . . . 21 ARG HD3 . 10044 1 143 . 1 1 21 21 ARG C C 13 176.171 0.300 . 1 . . . . 21 ARG C . 10044 1 144 . 1 1 21 21 ARG CA C 13 56.107 0.300 . 1 . . . . 21 ARG CA . 10044 1 145 . 1 1 21 21 ARG CB C 13 30.941 0.300 . 1 . . . . 21 ARG CB . 10044 1 146 . 1 1 21 21 ARG CG C 13 27.090 0.300 . 1 . . . . 21 ARG CG . 10044 1 147 . 1 1 21 21 ARG CD C 13 43.411 0.300 . 1 . . . . 21 ARG CD . 10044 1 148 . 1 1 21 21 ARG N N 15 123.451 0.300 . 1 . . . . 21 ARG N . 10044 1 149 . 1 1 22 22 THR H H 1 8.297 0.030 . 1 . . . . 22 THR H . 10044 1 150 . 1 1 22 22 THR HA H 1 4.196 0.030 . 1 . . . . 22 THR HA . 10044 1 151 . 1 1 22 22 THR HB H 1 4.021 0.030 . 1 . . . . 22 THR HB . 10044 1 152 . 1 1 22 22 THR HG21 H 1 1.026 0.030 . 1 . . . . 22 THR HG2 . 10044 1 153 . 1 1 22 22 THR HG22 H 1 1.026 0.030 . 1 . . . . 22 THR HG2 . 10044 1 154 . 1 1 22 22 THR HG23 H 1 1.026 0.030 . 1 . . . . 22 THR HG2 . 10044 1 155 . 1 1 22 22 THR C C 13 173.803 0.300 . 1 . . . . 22 THR C . 10044 1 156 . 1 1 22 22 THR CA C 13 62.350 0.300 . 1 . . . . 22 THR CA . 10044 1 157 . 1 1 22 22 THR CB C 13 69.807 0.300 . 1 . . . . 22 THR CB . 10044 1 158 . 1 1 22 22 THR CG2 C 13 21.896 0.300 . 1 . . . . 22 THR CG2 . 10044 1 159 . 1 1 22 22 THR N N 15 117.453 0.300 . 1 . . . . 22 THR N . 10044 1 160 . 1 1 23 23 LYS H H 1 8.253 0.030 . 1 . . . . 23 LYS H . 10044 1 161 . 1 1 23 23 LYS HA H 1 4.293 0.030 . 1 . . . . 23 LYS HA . 10044 1 162 . 1 1 23 23 LYS HB2 H 1 1.707 0.030 . 2 . . . . 23 LYS HB2 . 10044 1 163 . 1 1 23 23 LYS HB3 H 1 1.617 0.030 . 2 . . . . 23 LYS HB3 . 10044 1 164 . 1 1 23 23 LYS HG2 H 1 1.354 0.030 . 2 . . . . 23 LYS HG2 . 10044 1 165 . 1 1 23 23 LYS HG3 H 1 1.258 0.030 . 2 . . . . 23 LYS HG3 . 10044 1 166 . 1 1 23 23 LYS HD2 H 1 1.652 0.030 . 1 . . . . 23 LYS HD2 . 10044 1 167 . 1 1 23 23 LYS HD3 H 1 1.652 0.030 . 1 . . . . 23 LYS HD3 . 10044 1 168 . 1 1 23 23 LYS HE2 H 1 2.984 0.030 . 1 . . . . 23 LYS HE2 . 10044 1 169 . 1 1 23 23 LYS HE3 H 1 2.984 0.030 . 1 . . . . 23 LYS HE3 . 10044 1 170 . 1 1 23 23 LYS C C 13 175.515 0.300 . 1 . . . . 23 LYS C . 10044 1 171 . 1 1 23 23 LYS CA C 13 55.931 0.300 . 1 . . . . 23 LYS CA . 10044 1 172 . 1 1 23 23 LYS CB C 13 33.414 0.300 . 1 . . . . 23 LYS CB . 10044 1 173 . 1 1 23 23 LYS CG C 13 24.699 0.300 . 1 . . . . 23 LYS CG . 10044 1 174 . 1 1 23 23 LYS CD C 13 29.150 0.300 . 1 . . . . 23 LYS CD . 10044 1 175 . 1 1 23 23 LYS CE C 13 42.092 0.300 . 1 . . . . 23 LYS CE . 10044 1 176 . 1 1 23 23 LYS N N 15 125.188 0.300 . 1 . . . . 23 LYS N . 10044 1 177 . 1 1 24 24 PHE H H 1 8.108 0.030 . 1 . . . . 24 PHE H . 10044 1 178 . 1 1 24 24 PHE HA H 1 5.016 0.030 . 1 . . . . 24 PHE HA . 10044 1 179 . 1 1 24 24 PHE HB2 H 1 3.185 0.030 . 2 . . . . 24 PHE HB2 . 10044 1 180 . 1 1 24 24 PHE HB3 H 1 2.691 0.030 . 2 . . . . 24 PHE HB3 . 10044 1 181 . 1 1 24 24 PHE HD1 H 1 7.178 0.030 . 1 . . . . 24 PHE HD1 . 10044 1 182 . 1 1 24 24 PHE HD2 H 1 7.178 0.030 . 1 . . . . 24 PHE HD2 . 10044 1 183 . 1 1 24 24 PHE HE1 H 1 7.273 0.030 . 1 . . . . 24 PHE HE1 . 10044 1 184 . 1 1 24 24 PHE HE2 H 1 7.273 0.030 . 1 . . . . 24 PHE HE2 . 10044 1 185 . 1 1 24 24 PHE HZ H 1 7.139 0.030 . 1 . . . . 24 PHE HZ . 10044 1 186 . 1 1 24 24 PHE C C 13 176.948 0.300 . 1 . . . . 24 PHE C . 10044 1 187 . 1 1 24 24 PHE CA C 13 56.901 0.300 . 1 . . . . 24 PHE CA . 10044 1 188 . 1 1 24 24 PHE CB C 13 41.328 0.300 . 1 . . . . 24 PHE CB . 10044 1 189 . 1 1 24 24 PHE CD1 C 13 131.582 0.300 . 1 . . . . 24 PHE CD1 . 10044 1 190 . 1 1 24 24 PHE CD2 C 13 131.582 0.300 . 1 . . . . 24 PHE CD2 . 10044 1 191 . 1 1 24 24 PHE CE1 C 13 131.550 0.300 . 1 . . . . 24 PHE CE1 . 10044 1 192 . 1 1 24 24 PHE CE2 C 13 131.550 0.300 . 1 . . . . 24 PHE CE2 . 10044 1 193 . 1 1 24 24 PHE CZ C 13 129.254 0.300 . 1 . . . . 24 PHE CZ . 10044 1 194 . 1 1 24 24 PHE N N 15 120.556 0.300 . 1 . . . . 24 PHE N . 10044 1 195 . 1 1 25 25 THR H H 1 8.901 0.030 . 1 . . . . 25 THR H . 10044 1 196 . 1 1 25 25 THR HA H 1 4.462 0.030 . 1 . . . . 25 THR HA . 10044 1 197 . 1 1 25 25 THR HB H 1 4.814 0.030 . 1 . . . . 25 THR HB . 10044 1 198 . 1 1 25 25 THR HG21 H 1 1.330 0.030 . 1 . . . . 25 THR HG2 . 10044 1 199 . 1 1 25 25 THR HG22 H 1 1.330 0.030 . 1 . . . . 25 THR HG2 . 10044 1 200 . 1 1 25 25 THR HG23 H 1 1.330 0.030 . 1 . . . . 25 THR HG2 . 10044 1 201 . 1 1 25 25 THR C C 13 175.236 0.300 . 1 . . . . 25 THR C . 10044 1 202 . 1 1 25 25 THR CA C 13 60.851 0.300 . 1 . . . . 25 THR CA . 10044 1 203 . 1 1 25 25 THR CB C 13 70.838 0.300 . 1 . . . . 25 THR CB . 10044 1 204 . 1 1 25 25 THR CG2 C 13 21.896 0.300 . 1 . . . . 25 THR CG2 . 10044 1 205 . 1 1 25 25 THR N N 15 113.822 0.300 . 1 . . . . 25 THR N . 10044 1 206 . 1 1 26 26 ALA H H 1 9.001 0.030 . 1 . . . . 26 ALA H . 10044 1 207 . 1 1 26 26 ALA HA H 1 4.107 0.030 . 1 . . . . 26 ALA HA . 10044 1 208 . 1 1 26 26 ALA HB1 H 1 1.524 0.030 . 1 . . . . 26 ALA HB . 10044 1 209 . 1 1 26 26 ALA HB2 H 1 1.524 0.030 . 1 . . . . 26 ALA HB . 10044 1 210 . 1 1 26 26 ALA HB3 H 1 1.524 0.030 . 1 . . . . 26 ALA HB . 10044 1 211 . 1 1 26 26 ALA C C 13 180.458 0.300 . 1 . . . . 26 ALA C . 10044 1 212 . 1 1 26 26 ALA CA C 13 55.772 0.300 . 1 . . . . 26 ALA CA . 10044 1 213 . 1 1 26 26 ALA CB C 13 17.971 0.300 . 1 . . . . 26 ALA CB . 10044 1 214 . 1 1 26 26 ALA N N 15 124.083 0.300 . 1 . . . . 26 ALA N . 10044 1 215 . 1 1 27 27 GLU H H 1 8.671 0.030 . 1 . . . . 27 GLU H . 10044 1 216 . 1 1 27 27 GLU HA H 1 4.096 0.030 . 1 . . . . 27 GLU HA . 10044 1 217 . 1 1 27 27 GLU HB2 H 1 1.915 0.030 . 2 . . . . 27 GLU HB2 . 10044 1 218 . 1 1 27 27 GLU HB3 H 1 2.102 0.030 . 2 . . . . 27 GLU HB3 . 10044 1 219 . 1 1 27 27 GLU HG2 H 1 2.304 0.030 . 1 . . . . 27 GLU HG2 . 10044 1 220 . 1 1 27 27 GLU HG3 H 1 2.304 0.030 . 1 . . . . 27 GLU HG3 . 10044 1 221 . 1 1 27 27 GLU C C 13 179.304 0.300 . 1 . . . . 27 GLU C . 10044 1 222 . 1 1 27 27 GLU CA C 13 59.740 0.300 . 1 . . . . 27 GLU CA . 10044 1 223 . 1 1 27 27 GLU CB C 13 29.334 0.300 . 1 . . . . 27 GLU CB . 10044 1 224 . 1 1 27 27 GLU CG C 13 36.652 0.300 . 1 . . . . 27 GLU CG . 10044 1 225 . 1 1 27 27 GLU N N 15 117.872 0.300 . 1 . . . . 27 GLU N . 10044 1 226 . 1 1 28 28 GLN H H 1 7.844 0.030 . 1 . . . . 28 GLN H . 10044 1 227 . 1 1 28 28 GLN HA H 1 3.743 0.030 . 1 . . . . 28 GLN HA . 10044 1 228 . 1 1 28 28 GLN HB2 H 1 2.537 0.030 . 2 . . . . 28 GLN HB2 . 10044 1 229 . 1 1 28 28 GLN HB3 H 1 1.668 0.030 . 2 . . . . 28 GLN HB3 . 10044 1 230 . 1 1 28 28 GLN HG2 H 1 2.216 0.030 . 2 . . . . 28 GLN HG2 . 10044 1 231 . 1 1 28 28 GLN HG3 H 1 2.639 0.030 . 2 . . . . 28 GLN HG3 . 10044 1 232 . 1 1 28 28 GLN HE21 H 1 7.472 0.030 . 2 . . . . 28 GLN HE21 . 10044 1 233 . 1 1 28 28 GLN HE22 H 1 6.857 0.030 . 2 . . . . 28 GLN HE22 . 10044 1 234 . 1 1 28 28 GLN C C 13 178.175 0.300 . 1 . . . . 28 GLN C . 10044 1 235 . 1 1 28 28 GLN CA C 13 59.617 0.300 . 1 . . . . 28 GLN CA . 10044 1 236 . 1 1 28 28 GLN CB C 13 28.431 0.300 . 1 . . . . 28 GLN CB . 10044 1 237 . 1 1 28 28 GLN CG C 13 35.210 0.300 . 1 . . . . 28 GLN CG . 10044 1 238 . 1 1 28 28 GLN N N 15 118.874 0.300 . 1 . . . . 28 GLN N . 10044 1 239 . 1 1 28 28 GLN NE2 N 15 110.375 0.300 . 1 . . . . 28 GLN NE2 . 10044 1 240 . 1 1 29 29 LYS H H 1 8.352 0.030 . 1 . . . . 29 LYS H . 10044 1 241 . 1 1 29 29 LYS HA H 1 3.523 0.030 . 1 . . . . 29 LYS HA . 10044 1 242 . 1 1 29 29 LYS HB2 H 1 1.949 0.030 . 2 . . . . 29 LYS HB2 . 10044 1 243 . 1 1 29 29 LYS HB3 H 1 1.859 0.030 . 2 . . . . 29 LYS HB3 . 10044 1 244 . 1 1 29 29 LYS HG2 H 1 1.535 0.030 . 2 . . . . 29 LYS HG2 . 10044 1 245 . 1 1 29 29 LYS HG3 H 1 1.343 0.030 . 2 . . . . 29 LYS HG3 . 10044 1 246 . 1 1 29 29 LYS HD2 H 1 1.809 0.030 . 1 . . . . 29 LYS HD2 . 10044 1 247 . 1 1 29 29 LYS HD3 H 1 1.809 0.030 . 1 . . . . 29 LYS HD3 . 10044 1 248 . 1 1 29 29 LYS HE2 H 1 3.074 0.030 . 1 . . . . 29 LYS HE2 . 10044 1 249 . 1 1 29 29 LYS HE3 H 1 3.074 0.030 . 1 . . . . 29 LYS HE3 . 10044 1 250 . 1 1 29 29 LYS C C 13 178.272 0.300 . 1 . . . . 29 LYS C . 10044 1 251 . 1 1 29 29 LYS CA C 13 60.252 0.300 . 1 . . . . 29 LYS CA . 10044 1 252 . 1 1 29 29 LYS CB C 13 31.865 0.300 . 1 . . . . 29 LYS CB . 10044 1 253 . 1 1 29 29 LYS CG C 13 25.606 0.300 . 1 . . . . 29 LYS CG . 10044 1 254 . 1 1 29 29 LYS CD C 13 29.398 0.300 . 1 . . . . 29 LYS CD . 10044 1 255 . 1 1 29 29 LYS CE C 13 41.927 0.300 . 1 . . . . 29 LYS CE . 10044 1 256 . 1 1 29 29 LYS N N 15 118.493 0.300 . 1 . . . . 29 LYS N . 10044 1 257 . 1 1 30 30 GLU H H 1 8.067 0.030 . 1 . . . . 30 GLU H . 10044 1 258 . 1 1 30 30 GLU HA H 1 4.012 0.030 . 1 . . . . 30 GLU HA . 10044 1 259 . 1 1 30 30 GLU HB2 H 1 2.171 0.030 . 2 . . . . 30 GLU HB2 . 10044 1 260 . 1 1 30 30 GLU HB3 H 1 2.124 0.030 . 2 . . . . 30 GLU HB3 . 10044 1 261 . 1 1 30 30 GLU HG2 H 1 2.439 0.030 . 2 . . . . 30 GLU HG2 . 10044 1 262 . 1 1 30 30 GLU HG3 H 1 2.311 0.030 . 2 . . . . 30 GLU HG3 . 10044 1 263 . 1 1 30 30 GLU C C 13 179.996 0.300 . 1 . . . . 30 GLU C . 10044 1 264 . 1 1 30 30 GLU CA C 13 59.652 0.300 . 1 . . . . 30 GLU CA . 10044 1 265 . 1 1 30 30 GLU CB C 13 29.416 0.300 . 1 . . . . 30 GLU CB . 10044 1 266 . 1 1 30 30 GLU CG C 13 36.157 0.300 . 1 . . . . 30 GLU CG . 10044 1 267 . 1 1 30 30 GLU N N 15 118.504 0.300 . 1 . . . . 30 GLU N . 10044 1 268 . 1 1 31 31 ARG H H 1 7.937 0.030 . 1 . . . . 31 ARG H . 10044 1 269 . 1 1 31 31 ARG HA H 1 4.162 0.030 . 1 . . . . 31 ARG HA . 10044 1 270 . 1 1 31 31 ARG HB2 H 1 1.999 0.030 . 1 . . . . 31 ARG HB2 . 10044 1 271 . 1 1 31 31 ARG HB3 H 1 1.999 0.030 . 1 . . . . 31 ARG HB3 . 10044 1 272 . 1 1 31 31 ARG HG2 H 1 1.906 0.030 . 2 . . . . 31 ARG HG2 . 10044 1 273 . 1 1 31 31 ARG HG3 H 1 1.781 0.030 . 2 . . . . 31 ARG HG3 . 10044 1 274 . 1 1 31 31 ARG HD2 H 1 3.177 0.030 . 2 . . . . 31 ARG HD2 . 10044 1 275 . 1 1 31 31 ARG HD3 H 1 3.108 0.030 . 2 . . . . 31 ARG HD3 . 10044 1 276 . 1 1 31 31 ARG C C 13 179.486 0.300 . 1 . . . . 31 ARG C . 10044 1 277 . 1 1 31 31 ARG CA C 13 58.717 0.300 . 1 . . . . 31 ARG CA . 10044 1 278 . 1 1 31 31 ARG CB C 13 29.767 0.300 . 1 . . . . 31 ARG CB . 10044 1 279 . 1 1 31 31 ARG CG C 13 27.487 0.300 . 1 . . . . 31 ARG CG . 10044 1 280 . 1 1 31 31 ARG CD C 13 42.999 0.300 . 1 . . . . 31 ARG CD . 10044 1 281 . 1 1 31 31 ARG N N 15 118.716 0.300 . 1 . . . . 31 ARG N . 10044 1 282 . 1 1 32 32 MET H H 1 8.516 0.030 . 1 . . . . 32 MET H . 10044 1 283 . 1 1 32 32 MET HA H 1 3.467 0.030 . 1 . . . . 32 MET HA . 10044 1 284 . 1 1 32 32 MET HB2 H 1 1.299 0.030 . 2 . . . . 32 MET HB2 . 10044 1 285 . 1 1 32 32 MET HB3 H 1 0.929 0.030 . 2 . . . . 32 MET HB3 . 10044 1 286 . 1 1 32 32 MET HG2 H 1 2.190 0.030 . 2 . . . . 32 MET HG2 . 10044 1 287 . 1 1 32 32 MET HG3 H 1 1.574 0.030 . 2 . . . . 32 MET HG3 . 10044 1 288 . 1 1 32 32 MET HE1 H 1 0.091 0.030 . 1 . . . . 32 MET HE . 10044 1 289 . 1 1 32 32 MET HE2 H 1 0.091 0.030 . 1 . . . . 32 MET HE . 10044 1 290 . 1 1 32 32 MET HE3 H 1 0.091 0.030 . 1 . . . . 32 MET HE . 10044 1 291 . 1 1 32 32 MET C C 13 176.839 0.300 . 1 . . . . 32 MET C . 10044 1 292 . 1 1 32 32 MET CA C 13 60.093 0.300 . 1 . . . . 32 MET CA . 10044 1 293 . 1 1 32 32 MET CB C 13 32.657 0.300 . 1 . . . . 32 MET CB . 10044 1 294 . 1 1 32 32 MET CG C 13 32.035 0.300 . 1 . . . . 32 MET CG . 10044 1 295 . 1 1 32 32 MET CE C 13 13.909 0.300 . 1 . . . . 32 MET CE . 10044 1 296 . 1 1 32 32 MET N N 15 121.661 0.300 . 1 . . . . 32 MET N . 10044 1 297 . 1 1 33 33 LEU H H 1 8.060 0.030 . 1 . . . . 33 LEU H . 10044 1 298 . 1 1 33 33 LEU HA H 1 4.031 0.030 . 1 . . . . 33 LEU HA . 10044 1 299 . 1 1 33 33 LEU HB2 H 1 1.869 0.030 . 2 . . . . 33 LEU HB2 . 10044 1 300 . 1 1 33 33 LEU HB3 H 1 1.758 0.030 . 2 . . . . 33 LEU HB3 . 10044 1 301 . 1 1 33 33 LEU HG H 1 1.856 0.030 . 1 . . . . 33 LEU HG . 10044 1 302 . 1 1 33 33 LEU HD11 H 1 1.209 0.030 . 1 . . . . 33 LEU HD1 . 10044 1 303 . 1 1 33 33 LEU HD12 H 1 1.209 0.030 . 1 . . . . 33 LEU HD1 . 10044 1 304 . 1 1 33 33 LEU HD13 H 1 1.209 0.030 . 1 . . . . 33 LEU HD1 . 10044 1 305 . 1 1 33 33 LEU HD21 H 1 1.209 0.030 . 1 . . . . 33 LEU HD2 . 10044 1 306 . 1 1 33 33 LEU HD22 H 1 1.209 0.030 . 1 . . . . 33 LEU HD2 . 10044 1 307 . 1 1 33 33 LEU HD23 H 1 1.209 0.030 . 1 . . . . 33 LEU HD2 . 10044 1 308 . 1 1 33 33 LEU C C 13 178.503 0.300 . 1 . . . . 33 LEU C . 10044 1 309 . 1 1 33 33 LEU CA C 13 58.223 0.300 . 1 . . . . 33 LEU CA . 10044 1 310 . 1 1 33 33 LEU CB C 13 42.011 0.300 . 1 . . . . 33 LEU CB . 10044 1 311 . 1 1 33 33 LEU CG C 13 27.419 0.300 . 1 . . . . 33 LEU CG . 10044 1 312 . 1 1 33 33 LEU CD1 C 13 24.695 0.300 . 2 . . . . 33 LEU CD1 . 10044 1 313 . 1 1 33 33 LEU CD2 C 13 24.995 0.300 . 2 . . . . 33 LEU CD2 . 10044 1 314 . 1 1 33 33 LEU N N 15 119.979 0.300 . 1 . . . . 33 LEU N . 10044 1 315 . 1 1 34 34 ALA H H 1 7.457 0.030 . 1 . . . . 34 ALA H . 10044 1 316 . 1 1 34 34 ALA HA H 1 4.116 0.030 . 1 . . . . 34 ALA HA . 10044 1 317 . 1 1 34 34 ALA HB1 H 1 1.468 0.030 . 1 . . . . 34 ALA HB . 10044 1 318 . 1 1 34 34 ALA HB2 H 1 1.468 0.030 . 1 . . . . 34 ALA HB . 10044 1 319 . 1 1 34 34 ALA HB3 H 1 1.468 0.030 . 1 . . . . 34 ALA HB . 10044 1 320 . 1 1 34 34 ALA C C 13 180.956 0.300 . 1 . . . . 34 ALA C . 10044 1 321 . 1 1 34 34 ALA CA C 13 54.732 0.300 . 1 . . . . 34 ALA CA . 10044 1 322 . 1 1 34 34 ALA CB C 13 17.999 0.300 . 1 . . . . 34 ALA CB . 10044 1 323 . 1 1 34 34 ALA N N 15 119.950 0.300 . 1 . . . . 34 ALA N . 10044 1 324 . 1 1 35 35 LEU H H 1 7.755 0.030 . 1 . . . . 35 LEU H . 10044 1 325 . 1 1 35 35 LEU HA H 1 3.857 0.030 . 1 . . . . 35 LEU HA . 10044 1 326 . 1 1 35 35 LEU HB2 H 1 1.362 0.030 . 2 . . . . 35 LEU HB2 . 10044 1 327 . 1 1 35 35 LEU HB3 H 1 1.184 0.030 . 2 . . . . 35 LEU HB3 . 10044 1 328 . 1 1 35 35 LEU HG H 1 1.022 0.030 . 1 . . . . 35 LEU HG . 10044 1 329 . 1 1 35 35 LEU HD11 H 1 0.569 0.030 . 1 . . . . 35 LEU HD1 . 10044 1 330 . 1 1 35 35 LEU HD12 H 1 0.569 0.030 . 1 . . . . 35 LEU HD1 . 10044 1 331 . 1 1 35 35 LEU HD13 H 1 0.569 0.030 . 1 . . . . 35 LEU HD1 . 10044 1 332 . 1 1 35 35 LEU HD21 H 1 0.014 0.030 . 1 . . . . 35 LEU HD2 . 10044 1 333 . 1 1 35 35 LEU HD22 H 1 0.014 0.030 . 1 . . . . 35 LEU HD2 . 10044 1 334 . 1 1 35 35 LEU HD23 H 1 0.014 0.030 . 1 . . . . 35 LEU HD2 . 10044 1 335 . 1 1 35 35 LEU C C 13 177.823 0.300 . 1 . . . . 35 LEU C . 10044 1 336 . 1 1 35 35 LEU CA C 13 57.570 0.300 . 1 . . . . 35 LEU CA . 10044 1 337 . 1 1 35 35 LEU CB C 13 41.011 0.300 . 1 . . . . 35 LEU CB . 10044 1 338 . 1 1 35 35 LEU CG C 13 26.265 0.300 . 1 . . . . 35 LEU CG . 10044 1 339 . 1 1 35 35 LEU CD1 C 13 23.298 0.300 . 2 . . . . 35 LEU CD1 . 10044 1 340 . 1 1 35 35 LEU CD2 C 13 25.276 0.300 . 2 . . . . 35 LEU CD2 . 10044 1 341 . 1 1 35 35 LEU N N 15 120.556 0.300 . 1 . . . . 35 LEU N . 10044 1 342 . 1 1 36 36 ALA H H 1 8.284 0.030 . 1 . . . . 36 ALA H . 10044 1 343 . 1 1 36 36 ALA HA H 1 3.052 0.030 . 1 . . . . 36 ALA HA . 10044 1 344 . 1 1 36 36 ALA HB1 H 1 0.089 0.030 . 1 . . . . 36 ALA HB . 10044 1 345 . 1 1 36 36 ALA HB2 H 1 0.089 0.030 . 1 . . . . 36 ALA HB . 10044 1 346 . 1 1 36 36 ALA HB3 H 1 0.089 0.030 . 1 . . . . 36 ALA HB . 10044 1 347 . 1 1 36 36 ALA C C 13 179.255 0.300 . 1 . . . . 36 ALA C . 10044 1 348 . 1 1 36 36 ALA CA C 13 55.155 0.300 . 1 . . . . 36 ALA CA . 10044 1 349 . 1 1 36 36 ALA CB C 13 17.175 0.300 . 1 . . . . 36 ALA CB . 10044 1 350 . 1 1 36 36 ALA N N 15 120.680 0.300 . 1 . . . . 36 ALA N . 10044 1 351 . 1 1 37 37 GLU H H 1 7.461 0.030 . 1 . . . . 37 GLU H . 10044 1 352 . 1 1 37 37 GLU HA H 1 3.990 0.030 . 1 . . . . 37 GLU HA . 10044 1 353 . 1 1 37 37 GLU HB2 H 1 2.093 0.030 . 1 . . . . 37 GLU HB2 . 10044 1 354 . 1 1 37 37 GLU HB3 H 1 2.093 0.030 . 1 . . . . 37 GLU HB3 . 10044 1 355 . 1 1 37 37 GLU HG2 H 1 2.503 0.030 . 2 . . . . 37 GLU HG2 . 10044 1 356 . 1 1 37 37 GLU HG3 H 1 2.466 0.030 . 2 . . . . 37 GLU HG3 . 10044 1 357 . 1 1 37 37 GLU C C 13 179.389 0.300 . 1 . . . . 37 GLU C . 10044 1 358 . 1 1 37 37 GLU CA C 13 58.657 0.300 . 1 . . . . 37 GLU CA . 10044 1 359 . 1 1 37 37 GLU CB C 13 29.622 0.300 . 1 . . . . 37 GLU CB . 10044 1 360 . 1 1 37 37 GLU CG C 13 36.075 0.300 . 1 . . . . 37 GLU CG . 10044 1 361 . 1 1 37 37 GLU N N 15 113.567 0.300 . 1 . . . . 37 GLU N . 10044 1 362 . 1 1 38 38 ARG H H 1 7.539 0.030 . 1 . . . . 38 ARG H . 10044 1 363 . 1 1 38 38 ARG HA H 1 4.172 0.030 . 1 . . . . 38 ARG HA . 10044 1 364 . 1 1 38 38 ARG HB2 H 1 2.047 0.030 . 1 . . . . 38 ARG HB2 . 10044 1 365 . 1 1 38 38 ARG HB3 H 1 2.047 0.030 . 1 . . . . 38 ARG HB3 . 10044 1 366 . 1 1 38 38 ARG HG2 H 1 1.760 0.030 . 2 . . . . 38 ARG HG2 . 10044 1 367 . 1 1 38 38 ARG HG3 H 1 1.652 0.030 . 2 . . . . 38 ARG HG3 . 10044 1 368 . 1 1 38 38 ARG HD2 H 1 3.129 0.030 . 2 . . . . 38 ARG HD2 . 10044 1 369 . 1 1 38 38 ARG HD3 H 1 3.230 0.030 . 2 . . . . 38 ARG HD3 . 10044 1 370 . 1 1 38 38 ARG C C 13 178.709 0.300 . 1 . . . . 38 ARG C . 10044 1 371 . 1 1 38 38 ARG CA C 13 58.911 0.300 . 1 . . . . 38 ARG CA . 10044 1 372 . 1 1 38 38 ARG CB C 13 30.158 0.300 . 1 . . . . 38 ARG CB . 10044 1 373 . 1 1 38 38 ARG CG C 13 27.172 0.300 . 1 . . . . 38 ARG CG . 10044 1 374 . 1 1 38 38 ARG CD C 13 43.658 0.300 . 1 . . . . 38 ARG CD . 10044 1 375 . 1 1 38 38 ARG N N 15 120.452 0.300 . 1 . . . . 38 ARG N . 10044 1 376 . 1 1 39 39 ILE H H 1 7.916 0.030 . 1 . . . . 39 ILE H . 10044 1 377 . 1 1 39 39 ILE HA H 1 4.547 0.030 . 1 . . . . 39 ILE HA . 10044 1 378 . 1 1 39 39 ILE HB H 1 2.520 0.030 . 1 . . . . 39 ILE HB . 10044 1 379 . 1 1 39 39 ILE HG12 H 1 1.432 0.030 . 2 . . . . 39 ILE HG12 . 10044 1 380 . 1 1 39 39 ILE HG13 H 1 1.067 0.030 . 2 . . . . 39 ILE HG13 . 10044 1 381 . 1 1 39 39 ILE HG21 H 1 0.730 0.030 . 1 . . . . 39 ILE HG2 . 10044 1 382 . 1 1 39 39 ILE HG22 H 1 0.730 0.030 . 1 . . . . 39 ILE HG2 . 10044 1 383 . 1 1 39 39 ILE HG23 H 1 0.730 0.030 . 1 . . . . 39 ILE HG2 . 10044 1 384 . 1 1 39 39 ILE HD11 H 1 0.503 0.030 . 1 . . . . 39 ILE HD1 . 10044 1 385 . 1 1 39 39 ILE HD12 H 1 0.503 0.030 . 1 . . . . 39 ILE HD1 . 10044 1 386 . 1 1 39 39 ILE HD13 H 1 0.503 0.030 . 1 . . . . 39 ILE HD1 . 10044 1 387 . 1 1 39 39 ILE C C 13 176.147 0.300 . 1 . . . . 39 ILE C . 10044 1 388 . 1 1 39 39 ILE CA C 13 61.168 0.300 . 1 . . . . 39 ILE CA . 10044 1 389 . 1 1 39 39 ILE CB C 13 37.618 0.300 . 1 . . . . 39 ILE CB . 10044 1 390 . 1 1 39 39 ILE CG1 C 13 25.194 0.300 . 1 . . . . 39 ILE CG1 . 10044 1 391 . 1 1 39 39 ILE CG2 C 13 16.505 0.300 . 1 . . . . 39 ILE CG2 . 10044 1 392 . 1 1 39 39 ILE CD1 C 13 13.479 0.300 . 1 . . . . 39 ILE CD1 . 10044 1 393 . 1 1 39 39 ILE N N 15 110.622 0.300 . 1 . . . . 39 ILE N . 10044 1 394 . 1 1 40 40 GLY H H 1 7.597 0.030 . 1 . . . . 40 GLY H . 10044 1 395 . 1 1 40 40 GLY HA2 H 1 4.045 0.030 . 2 . . . . 40 GLY HA2 . 10044 1 396 . 1 1 40 40 GLY HA3 H 1 3.982 0.030 . 2 . . . . 40 GLY HA3 . 10044 1 397 . 1 1 40 40 GLY C C 13 175.770 0.300 . 1 . . . . 40 GLY C . 10044 1 398 . 1 1 40 40 GLY CA C 13 47.642 0.300 . 1 . . . . 40 GLY CA . 10044 1 399 . 1 1 40 40 GLY N N 15 111.074 0.300 . 1 . . . . 40 GLY N . 10044 1 400 . 1 1 41 41 TRP H H 1 8.753 0.030 . 1 . . . . 41 TRP H . 10044 1 401 . 1 1 41 41 TRP HA H 1 3.377 0.030 . 1 . . . . 41 TRP HA . 10044 1 402 . 1 1 41 41 TRP HB2 H 1 3.557 0.030 . 2 . . . . 41 TRP HB2 . 10044 1 403 . 1 1 41 41 TRP HB3 H 1 3.323 0.030 . 2 . . . . 41 TRP HB3 . 10044 1 404 . 1 1 41 41 TRP HD1 H 1 7.096 0.030 . 1 . . . . 41 TRP HD1 . 10044 1 405 . 1 1 41 41 TRP HE1 H 1 10.289 0.030 . 1 . . . . 41 TRP HE1 . 10044 1 406 . 1 1 41 41 TRP HE3 H 1 7.499 0.030 . 1 . . . . 41 TRP HE3 . 10044 1 407 . 1 1 41 41 TRP HZ2 H 1 7.429 0.030 . 1 . . . . 41 TRP HZ2 . 10044 1 408 . 1 1 41 41 TRP HZ3 H 1 6.487 0.030 . 1 . . . . 41 TRP HZ3 . 10044 1 409 . 1 1 41 41 TRP HH2 H 1 6.914 0.030 . 1 . . . . 41 TRP HH2 . 10044 1 410 . 1 1 41 41 TRP C C 13 172.952 0.300 . 1 . . . . 41 TRP C . 10044 1 411 . 1 1 41 41 TRP CA C 13 60.027 0.300 . 1 . . . . 41 TRP CA . 10044 1 412 . 1 1 41 41 TRP CB C 13 25.441 0.300 . 1 . . . . 41 TRP CB . 10044 1 413 . 1 1 41 41 TRP CD1 C 13 127.338 0.300 . 1 . . . . 41 TRP CD1 . 10044 1 414 . 1 1 41 41 TRP CE3 C 13 120.253 0.300 . 1 . . . . 41 TRP CE3 . 10044 1 415 . 1 1 41 41 TRP CZ2 C 13 114.659 0.300 . 1 . . . . 41 TRP CZ2 . 10044 1 416 . 1 1 41 41 TRP CZ3 C 13 122.479 0.300 . 1 . . . . 41 TRP CZ3 . 10044 1 417 . 1 1 41 41 TRP CH2 C 13 124.901 0.300 . 1 . . . . 41 TRP CH2 . 10044 1 418 . 1 1 41 41 TRP N N 15 111.033 0.300 . 1 . . . . 41 TRP N . 10044 1 419 . 1 1 41 41 TRP NE1 N 15 129.877 0.300 . 1 . . . . 41 TRP NE1 . 10044 1 420 . 1 1 42 42 ARG H H 1 7.358 0.030 . 1 . . . . 42 ARG H . 10044 1 421 . 1 1 42 42 ARG HA H 1 4.608 0.030 . 1 . . . . 42 ARG HA . 10044 1 422 . 1 1 42 42 ARG HB2 H 1 1.873 0.030 . 2 . . . . 42 ARG HB2 . 10044 1 423 . 1 1 42 42 ARG HB3 H 1 1.785 0.030 . 2 . . . . 42 ARG HB3 . 10044 1 424 . 1 1 42 42 ARG HG2 H 1 1.578 0.030 . 1 . . . . 42 ARG HG2 . 10044 1 425 . 1 1 42 42 ARG HG3 H 1 1.578 0.030 . 1 . . . . 42 ARG HG3 . 10044 1 426 . 1 1 42 42 ARG HD2 H 1 3.167 0.030 . 1 . . . . 42 ARG HD2 . 10044 1 427 . 1 1 42 42 ARG HD3 H 1 3.167 0.030 . 1 . . . . 42 ARG HD3 . 10044 1 428 . 1 1 42 42 ARG C C 13 173.110 0.300 . 1 . . . . 42 ARG C . 10044 1 429 . 1 1 42 42 ARG CA C 13 55.233 0.300 . 1 . . . . 42 ARG CA . 10044 1 430 . 1 1 42 42 ARG CB C 13 32.710 0.300 . 1 . . . . 42 ARG CB . 10044 1 431 . 1 1 42 42 ARG CG C 13 26.174 0.300 . 1 . . . . 42 ARG CG . 10044 1 432 . 1 1 42 42 ARG CD C 13 43.823 0.300 . 1 . . . . 42 ARG CD . 10044 1 433 . 1 1 42 42 ARG N N 15 115.874 0.300 . 1 . . . . 42 ARG N . 10044 1 434 . 1 1 43 43 ILE H H 1 8.563 0.030 . 1 . . . . 43 ILE H . 10044 1 435 . 1 1 43 43 ILE HA H 1 4.089 0.030 . 1 . . . . 43 ILE HA . 10044 1 436 . 1 1 43 43 ILE HB H 1 1.741 0.030 . 1 . . . . 43 ILE HB . 10044 1 437 . 1 1 43 43 ILE HG12 H 1 1.495 0.030 . 2 . . . . 43 ILE HG12 . 10044 1 438 . 1 1 43 43 ILE HG13 H 1 0.771 0.030 . 2 . . . . 43 ILE HG13 . 10044 1 439 . 1 1 43 43 ILE HG21 H 1 0.812 0.030 . 1 . . . . 43 ILE HG2 . 10044 1 440 . 1 1 43 43 ILE HG22 H 1 0.812 0.030 . 1 . . . . 43 ILE HG2 . 10044 1 441 . 1 1 43 43 ILE HG23 H 1 0.812 0.030 . 1 . . . . 43 ILE HG2 . 10044 1 442 . 1 1 43 43 ILE HD11 H 1 0.756 0.030 . 1 . . . . 43 ILE HD1 . 10044 1 443 . 1 1 43 43 ILE HD12 H 1 0.756 0.030 . 1 . . . . 43 ILE HD1 . 10044 1 444 . 1 1 43 43 ILE HD13 H 1 0.756 0.030 . 1 . . . . 43 ILE HD1 . 10044 1 445 . 1 1 43 43 ILE C C 13 176.086 0.300 . 1 . . . . 43 ILE C . 10044 1 446 . 1 1 43 43 ILE CA C 13 61.574 0.300 . 1 . . . . 43 ILE CA . 10044 1 447 . 1 1 43 43 ILE CB C 13 38.255 0.300 . 1 . . . . 43 ILE CB . 10044 1 448 . 1 1 43 43 ILE CG1 C 13 27.625 0.300 . 1 . . . . 43 ILE CG1 . 10044 1 449 . 1 1 43 43 ILE CG2 C 13 17.874 0.300 . 1 . . . . 43 ILE CG2 . 10044 1 450 . 1 1 43 43 ILE CD1 C 13 13.262 0.300 . 1 . . . . 43 ILE CD1 . 10044 1 451 . 1 1 43 43 ILE N N 15 120.926 0.300 . 1 . . . . 43 ILE N . 10044 1 452 . 1 1 44 44 GLN H H 1 9.551 0.030 . 1 . . . . 44 GLN H . 10044 1 453 . 1 1 44 44 GLN HA H 1 4.701 0.030 . 1 . . . . 44 GLN HA . 10044 1 454 . 1 1 44 44 GLN HB2 H 1 2.319 0.030 . 2 . . . . 44 GLN HB2 . 10044 1 455 . 1 1 44 44 GLN HB3 H 1 1.954 0.030 . 2 . . . . 44 GLN HB3 . 10044 1 456 . 1 1 44 44 GLN HG2 H 1 2.390 0.030 . 2 . . . . 44 GLN HG2 . 10044 1 457 . 1 1 44 44 GLN HG3 H 1 2.203 0.030 . 2 . . . . 44 GLN HG3 . 10044 1 458 . 1 1 44 44 GLN HE21 H 1 8.076 0.030 . 2 . . . . 44 GLN HE21 . 10044 1 459 . 1 1 44 44 GLN HE22 H 1 6.909 0.030 . 2 . . . . 44 GLN HE22 . 10044 1 460 . 1 1 44 44 GLN C C 13 177.300 0.300 . 1 . . . . 44 GLN C . 10044 1 461 . 1 1 44 44 GLN CA C 13 54.626 0.300 . 1 . . . . 44 GLN CA . 10044 1 462 . 1 1 44 44 GLN CB C 13 32.046 0.300 . 1 . . . . 44 GLN CB . 10044 1 463 . 1 1 44 44 GLN CG C 13 34.767 0.300 . 1 . . . . 44 GLN CG . 10044 1 464 . 1 1 44 44 GLN N N 15 128.445 0.300 . 1 . . . . 44 GLN N . 10044 1 465 . 1 1 44 44 GLN NE2 N 15 113.074 0.300 . 1 . . . . 44 GLN NE2 . 10044 1 466 . 1 1 45 45 ARG H H 1 8.920 0.030 . 1 . . . . 45 ARG H . 10044 1 467 . 1 1 45 45 ARG HA H 1 4.137 0.030 . 1 . . . . 45 ARG HA . 10044 1 468 . 1 1 45 45 ARG HB2 H 1 1.936 0.030 . 2 . . . . 45 ARG HB2 . 10044 1 469 . 1 1 45 45 ARG HB3 H 1 1.884 0.030 . 2 . . . . 45 ARG HB3 . 10044 1 470 . 1 1 45 45 ARG HG2 H 1 1.731 0.030 . 1 . . . . 45 ARG HG2 . 10044 1 471 . 1 1 45 45 ARG HG3 H 1 1.731 0.030 . 1 . . . . 45 ARG HG3 . 10044 1 472 . 1 1 45 45 ARG HD2 H 1 3.269 0.030 . 1 . . . . 45 ARG HD2 . 10044 1 473 . 1 1 45 45 ARG HD3 H 1 3.269 0.030 . 1 . . . . 45 ARG HD3 . 10044 1 474 . 1 1 45 45 ARG C C 13 178.709 0.300 . 1 . . . . 45 ARG C . 10044 1 475 . 1 1 45 45 ARG CA C 13 58.999 0.300 . 1 . . . . 45 ARG CA . 10044 1 476 . 1 1 45 45 ARG CB C 13 29.727 0.300 . 1 . . . . 45 ARG CB . 10044 1 477 . 1 1 45 45 ARG CG C 13 26.842 0.300 . 1 . . . . 45 ARG CG . 10044 1 478 . 1 1 45 45 ARG CD C 13 43.081 0.300 . 1 . . . . 45 ARG CD . 10044 1 479 . 1 1 45 45 ARG N N 15 123.746 0.300 . 1 . . . . 45 ARG N . 10044 1 480 . 1 1 46 46 GLN H H 1 8.975 0.030 . 1 . . . . 46 GLN H . 10044 1 481 . 1 1 46 46 GLN HA H 1 4.269 0.030 . 1 . . . . 46 GLN HA . 10044 1 482 . 1 1 46 46 GLN HB2 H 1 2.131 0.030 . 1 . . . . 46 GLN HB2 . 10044 1 483 . 1 1 46 46 GLN HB3 H 1 2.131 0.030 . 1 . . . . 46 GLN HB3 . 10044 1 484 . 1 1 46 46 GLN HG2 H 1 2.429 0.030 . 2 . . . . 46 GLN HG2 . 10044 1 485 . 1 1 46 46 GLN HG3 H 1 2.291 0.030 . 2 . . . . 46 GLN HG3 . 10044 1 486 . 1 1 46 46 GLN HE21 H 1 7.759 0.030 . 2 . . . . 46 GLN HE21 . 10044 1 487 . 1 1 46 46 GLN HE22 H 1 6.736 0.030 . 2 . . . . 46 GLN HE22 . 10044 1 488 . 1 1 46 46 GLN C C 13 176.292 0.300 . 1 . . . . 46 GLN C . 10044 1 489 . 1 1 46 46 GLN CA C 13 57.677 0.300 . 1 . . . . 46 GLN CA . 10044 1 490 . 1 1 46 46 GLN CB C 13 27.636 0.300 . 1 . . . . 46 GLN CB . 10044 1 491 . 1 1 46 46 GLN CG C 13 32.929 0.300 . 1 . . . . 46 GLN CG . 10044 1 492 . 1 1 46 46 GLN N N 15 116.664 0.300 . 1 . . . . 46 GLN N . 10044 1 493 . 1 1 46 46 GLN NE2 N 15 112.460 0.300 . 1 . . . . 46 GLN NE2 . 10044 1 494 . 1 1 47 47 ASP H H 1 7.846 0.030 . 1 . . . . 47 ASP H . 10044 1 495 . 1 1 47 47 ASP HA H 1 4.952 0.030 . 1 . . . . 47 ASP HA . 10044 1 496 . 1 1 47 47 ASP HB2 H 1 2.865 0.030 . 2 . . . . 47 ASP HB2 . 10044 1 497 . 1 1 47 47 ASP HB3 H 1 2.781 0.030 . 2 . . . . 47 ASP HB3 . 10044 1 498 . 1 1 47 47 ASP C C 13 176.061 0.300 . 1 . . . . 47 ASP C . 10044 1 499 . 1 1 47 47 ASP CA C 13 54.467 0.300 . 1 . . . . 47 ASP CA . 10044 1 500 . 1 1 47 47 ASP CB C 13 41.740 0.300 . 1 . . . . 47 ASP CB . 10044 1 501 . 1 1 47 47 ASP N N 15 118.874 0.300 . 1 . . . . 47 ASP N . 10044 1 502 . 1 1 48 48 ASP H H 1 7.634 0.030 . 1 . . . . 48 ASP H . 10044 1 503 . 1 1 48 48 ASP HA H 1 4.280 0.030 . 1 . . . . 48 ASP HA . 10044 1 504 . 1 1 48 48 ASP HB2 H 1 2.908 0.030 . 2 . . . . 48 ASP HB2 . 10044 1 505 . 1 1 48 48 ASP HB3 H 1 2.664 0.030 . 2 . . . . 48 ASP HB3 . 10044 1 506 . 1 1 48 48 ASP C C 13 177.859 0.300 . 1 . . . . 48 ASP C . 10044 1 507 . 1 1 48 48 ASP CA C 13 59.035 0.300 . 1 . . . . 48 ASP CA . 10044 1 508 . 1 1 48 48 ASP CB C 13 41.890 0.300 . 1 . . . . 48 ASP CB . 10044 1 509 . 1 1 48 48 ASP N N 15 120.452 0.300 . 1 . . . . 48 ASP N . 10044 1 510 . 1 1 49 49 GLU H H 1 8.773 0.030 . 1 . . . . 49 GLU H . 10044 1 511 . 1 1 49 49 GLU HA H 1 4.067 0.030 . 1 . . . . 49 GLU HA . 10044 1 512 . 1 1 49 49 GLU HB2 H 1 2.089 0.030 . 1 . . . . 49 GLU HB2 . 10044 1 513 . 1 1 49 49 GLU HB3 H 1 2.089 0.030 . 1 . . . . 49 GLU HB3 . 10044 1 514 . 1 1 49 49 GLU HG2 H 1 2.293 0.030 . 2 . . . . 49 GLU HG2 . 10044 1 515 . 1 1 49 49 GLU HG3 H 1 2.381 0.030 . 2 . . . . 49 GLU HG3 . 10044 1 516 . 1 1 49 49 GLU C C 13 179.037 0.300 . 1 . . . . 49 GLU C . 10044 1 517 . 1 1 49 49 GLU CA C 13 60.234 0.300 . 1 . . . . 49 GLU CA . 10044 1 518 . 1 1 49 49 GLU CB C 13 29.242 0.300 . 1 . . . . 49 GLU CB . 10044 1 519 . 1 1 49 49 GLU CG C 13 36.652 0.300 . 1 . . . . 49 GLU CG . 10044 1 520 . 1 1 49 49 GLU N N 15 118.558 0.300 . 1 . . . . 49 GLU N . 10044 1 521 . 1 1 50 50 VAL H H 1 7.725 0.030 . 1 . . . . 50 VAL H . 10044 1 522 . 1 1 50 50 VAL HA H 1 3.773 0.030 . 1 . . . . 50 VAL HA . 10044 1 523 . 1 1 50 50 VAL HB H 1 2.212 0.030 . 1 . . . . 50 VAL HB . 10044 1 524 . 1 1 50 50 VAL HG11 H 1 1.079 0.030 . 1 . . . . 50 VAL HG1 . 10044 1 525 . 1 1 50 50 VAL HG12 H 1 1.079 0.030 . 1 . . . . 50 VAL HG1 . 10044 1 526 . 1 1 50 50 VAL HG13 H 1 1.079 0.030 . 1 . . . . 50 VAL HG1 . 10044 1 527 . 1 1 50 50 VAL HG21 H 1 0.915 0.030 . 1 . . . . 50 VAL HG2 . 10044 1 528 . 1 1 50 50 VAL HG22 H 1 0.915 0.030 . 1 . . . . 50 VAL HG2 . 10044 1 529 . 1 1 50 50 VAL HG23 H 1 0.915 0.030 . 1 . . . . 50 VAL HG2 . 10044 1 530 . 1 1 50 50 VAL C C 13 179.049 0.300 . 1 . . . . 50 VAL C . 10044 1 531 . 1 1 50 50 VAL CA C 13 65.859 0.300 . 1 . . . . 50 VAL CA . 10044 1 532 . 1 1 50 50 VAL CB C 13 31.889 0.300 . 1 . . . . 50 VAL CB . 10044 1 533 . 1 1 50 50 VAL CG1 C 13 22.473 0.300 . 2 . . . . 50 VAL CG1 . 10044 1 534 . 1 1 50 50 VAL CG2 C 13 20.825 0.300 . 2 . . . . 50 VAL CG2 . 10044 1 535 . 1 1 50 50 VAL N N 15 120.043 0.300 . 1 . . . . 50 VAL N . 10044 1 536 . 1 1 51 51 ILE H H 1 8.217 0.030 . 1 . . . . 51 ILE H . 10044 1 537 . 1 1 51 51 ILE HA H 1 3.736 0.030 . 1 . . . . 51 ILE HA . 10044 1 538 . 1 1 51 51 ILE HB H 1 2.098 0.030 . 1 . . . . 51 ILE HB . 10044 1 539 . 1 1 51 51 ILE HG12 H 1 1.555 0.030 . 2 . . . . 51 ILE HG12 . 10044 1 540 . 1 1 51 51 ILE HG13 H 1 1.335 0.030 . 2 . . . . 51 ILE HG13 . 10044 1 541 . 1 1 51 51 ILE HG21 H 1 0.901 0.030 . 1 . . . . 51 ILE HG2 . 10044 1 542 . 1 1 51 51 ILE HG22 H 1 0.901 0.030 . 1 . . . . 51 ILE HG2 . 10044 1 543 . 1 1 51 51 ILE HG23 H 1 0.901 0.030 . 1 . . . . 51 ILE HG2 . 10044 1 544 . 1 1 51 51 ILE HD11 H 1 0.754 0.030 . 1 . . . . 51 ILE HD1 . 10044 1 545 . 1 1 51 51 ILE HD12 H 1 0.754 0.030 . 1 . . . . 51 ILE HD1 . 10044 1 546 . 1 1 51 51 ILE HD13 H 1 0.754 0.030 . 1 . . . . 51 ILE HD1 . 10044 1 547 . 1 1 51 51 ILE C C 13 177.507 0.300 . 1 . . . . 51 ILE C . 10044 1 548 . 1 1 51 51 ILE CA C 13 63.796 0.300 . 1 . . . . 51 ILE CA . 10044 1 549 . 1 1 51 51 ILE CB C 13 36.837 0.300 . 1 . . . . 51 ILE CB . 10044 1 550 . 1 1 51 51 ILE CG1 C 13 28.542 0.300 . 1 . . . . 51 ILE CG1 . 10044 1 551 . 1 1 51 51 ILE CG2 C 13 18.022 0.300 . 1 . . . . 51 ILE CG2 . 10044 1 552 . 1 1 51 51 ILE CD1 C 13 12.005 0.300 . 1 . . . . 51 ILE CD1 . 10044 1 553 . 1 1 51 51 ILE N N 15 121.557 0.300 . 1 . . . . 51 ILE N . 10044 1 554 . 1 1 52 52 GLN H H 1 8.697 0.030 . 1 . . . . 52 GLN H . 10044 1 555 . 1 1 52 52 GLN HA H 1 4.048 0.030 . 1 . . . . 52 GLN HA . 10044 1 556 . 1 1 52 52 GLN HB2 H 1 2.186 0.030 . 1 . . . . 52 GLN HB2 . 10044 1 557 . 1 1 52 52 GLN HB3 H 1 2.186 0.030 . 1 . . . . 52 GLN HB3 . 10044 1 558 . 1 1 52 52 GLN HG2 H 1 2.486 0.030 . 2 . . . . 52 GLN HG2 . 10044 1 559 . 1 1 52 52 GLN HG3 H 1 2.415 0.030 . 2 . . . . 52 GLN HG3 . 10044 1 560 . 1 1 52 52 GLN HE21 H 1 7.554 0.030 . 2 . . . . 52 GLN HE21 . 10044 1 561 . 1 1 52 52 GLN HE22 H 1 6.842 0.030 . 2 . . . . 52 GLN HE22 . 10044 1 562 . 1 1 52 52 GLN C C 13 179.134 0.300 . 1 . . . . 52 GLN C . 10044 1 563 . 1 1 52 52 GLN CA C 13 59.634 0.300 . 1 . . . . 52 GLN CA . 10044 1 564 . 1 1 52 52 GLN CB C 13 28.420 0.300 . 1 . . . . 52 GLN CB . 10044 1 565 . 1 1 52 52 GLN CG C 13 33.684 0.300 . 1 . . . . 52 GLN CG . 10044 1 566 . 1 1 52 52 GLN N N 15 120.294 0.300 . 1 . . . . 52 GLN N . 10044 1 567 . 1 1 52 52 GLN NE2 N 15 111.845 0.300 . 1 . . . . 52 GLN NE2 . 10044 1 568 . 1 1 53 53 ARG H H 1 7.962 0.030 . 1 . . . . 53 ARG H . 10044 1 569 . 1 1 53 53 ARG HA H 1 4.099 0.030 . 1 . . . . 53 ARG HA . 10044 1 570 . 1 1 53 53 ARG HB2 H 1 1.947 0.030 . 1 . . . . 53 ARG HB2 . 10044 1 571 . 1 1 53 53 ARG HB3 H 1 1.947 0.030 . 1 . . . . 53 ARG HB3 . 10044 1 572 . 1 1 53 53 ARG HG2 H 1 1.783 0.030 . 2 . . . . 53 ARG HG2 . 10044 1 573 . 1 1 53 53 ARG HG3 H 1 1.636 0.030 . 2 . . . . 53 ARG HG3 . 10044 1 574 . 1 1 53 53 ARG HD2 H 1 3.248 0.030 . 1 . . . . 53 ARG HD2 . 10044 1 575 . 1 1 53 53 ARG HD3 H 1 3.248 0.030 . 1 . . . . 53 ARG HD3 . 10044 1 576 . 1 1 53 53 ARG C C 13 177.993 0.300 . 1 . . . . 53 ARG C . 10044 1 577 . 1 1 53 53 ARG CA C 13 59.511 0.300 . 1 . . . . 53 ARG CA . 10044 1 578 . 1 1 53 53 ARG CB C 13 29.931 0.300 . 1 . . . . 53 ARG CB . 10044 1 579 . 1 1 53 53 ARG CG C 13 27.502 0.300 . 1 . . . . 53 ARG CG . 10044 1 580 . 1 1 53 53 ARG CD C 13 43.493 0.300 . 1 . . . . 53 ARG CD . 10044 1 581 . 1 1 53 53 ARG N N 15 118.558 0.300 . 1 . . . . 53 ARG N . 10044 1 582 . 1 1 54 54 PHE H H 1 8.067 0.030 . 1 . . . . 54 PHE H . 10044 1 583 . 1 1 54 54 PHE HA H 1 4.215 0.030 . 1 . . . . 54 PHE HA . 10044 1 584 . 1 1 54 54 PHE HB2 H 1 3.372 0.030 . 2 . . . . 54 PHE HB2 . 10044 1 585 . 1 1 54 54 PHE HB3 H 1 3.245 0.030 . 2 . . . . 54 PHE HB3 . 10044 1 586 . 1 1 54 54 PHE HD1 H 1 7.315 0.030 . 1 . . . . 54 PHE HD1 . 10044 1 587 . 1 1 54 54 PHE HD2 H 1 7.315 0.030 . 1 . . . . 54 PHE HD2 . 10044 1 588 . 1 1 54 54 PHE HE1 H 1 6.941 0.030 . 1 . . . . 54 PHE HE1 . 10044 1 589 . 1 1 54 54 PHE HE2 H 1 6.941 0.030 . 1 . . . . 54 PHE HE2 . 10044 1 590 . 1 1 54 54 PHE HZ H 1 6.761 0.030 . 1 . . . . 54 PHE HZ . 10044 1 591 . 1 1 54 54 PHE C C 13 179.243 0.300 . 1 . . . . 54 PHE C . 10044 1 592 . 1 1 54 54 PHE CA C 13 61.856 0.300 . 1 . . . . 54 PHE CA . 10044 1 593 . 1 1 54 54 PHE CB C 13 39.134 0.300 . 1 . . . . 54 PHE CB . 10044 1 594 . 1 1 54 54 PHE CD1 C 13 132.622 0.300 . 1 . . . . 54 PHE CD1 . 10044 1 595 . 1 1 54 54 PHE CD2 C 13 132.622 0.300 . 1 . . . . 54 PHE CD2 . 10044 1 596 . 1 1 54 54 PHE CE1 C 13 131.255 0.300 . 1 . . . . 54 PHE CE1 . 10044 1 597 . 1 1 54 54 PHE CE2 C 13 131.255 0.300 . 1 . . . . 54 PHE CE2 . 10044 1 598 . 1 1 54 54 PHE CZ C 13 128.875 0.300 . 1 . . . . 54 PHE CZ . 10044 1 599 . 1 1 54 54 PHE N N 15 120.610 0.300 . 1 . . . . 54 PHE N . 10044 1 600 . 1 1 55 55 CYS H H 1 9.139 0.030 . 1 . . . . 55 CYS H . 10044 1 601 . 1 1 55 55 CYS HA H 1 3.989 0.030 . 1 . . . . 55 CYS HA . 10044 1 602 . 1 1 55 55 CYS HB2 H 1 3.271 0.030 . 2 . . . . 55 CYS HB2 . 10044 1 603 . 1 1 55 55 CYS HB3 H 1 2.870 0.030 . 2 . . . . 55 CYS HB3 . 10044 1 604 . 1 1 55 55 CYS C C 13 177.798 0.300 . 1 . . . . 55 CYS C . 10044 1 605 . 1 1 55 55 CYS CA C 13 64.132 0.300 . 1 . . . . 55 CYS CA . 10044 1 606 . 1 1 55 55 CYS CB C 13 27.825 0.300 . 1 . . . . 55 CYS CB . 10044 1 607 . 1 1 55 55 CYS N N 15 122.504 0.300 . 1 . . . . 55 CYS N . 10044 1 608 . 1 1 56 56 GLN H H 1 8.085 0.030 . 1 . . . . 56 GLN H . 10044 1 609 . 1 1 56 56 GLN HA H 1 4.011 0.030 . 1 . . . . 56 GLN HA . 10044 1 610 . 1 1 56 56 GLN HB2 H 1 2.235 0.030 . 2 . . . . 56 GLN HB2 . 10044 1 611 . 1 1 56 56 GLN HB3 H 1 2.170 0.030 . 2 . . . . 56 GLN HB3 . 10044 1 612 . 1 1 56 56 GLN HG2 H 1 2.496 0.030 . 2 . . . . 56 GLN HG2 . 10044 1 613 . 1 1 56 56 GLN HG3 H 1 2.422 0.030 . 2 . . . . 56 GLN HG3 . 10044 1 614 . 1 1 56 56 GLN HE21 H 1 7.476 0.030 . 2 . . . . 56 GLN HE21 . 10044 1 615 . 1 1 56 56 GLN HE22 H 1 6.845 0.030 . 2 . . . . 56 GLN HE22 . 10044 1 616 . 1 1 56 56 GLN C C 13 178.405 0.300 . 1 . . . . 56 GLN C . 10044 1 617 . 1 1 56 56 GLN CA C 13 58.629 0.300 . 1 . . . . 56 GLN CA . 10044 1 618 . 1 1 56 56 GLN CB C 13 28.585 0.300 . 1 . . . . 56 GLN CB . 10044 1 619 . 1 1 56 56 GLN CG C 13 33.849 0.300 . 1 . . . . 56 GLN CG . 10044 1 620 . 1 1 56 56 GLN N N 15 119.919 0.300 . 1 . . . . 56 GLN N . 10044 1 621 . 1 1 56 56 GLN NE2 N 15 111.677 0.300 . 1 . . . . 56 GLN NE2 . 10044 1 622 . 1 1 57 57 GLU H H 1 8.323 0.030 . 1 . . . . 57 GLU H . 10044 1 623 . 1 1 57 57 GLU HA H 1 4.016 0.030 . 1 . . . . 57 GLU HA . 10044 1 624 . 1 1 57 57 GLU HB2 H 1 1.944 0.030 . 2 . . . . 57 GLU HB2 . 10044 1 625 . 1 1 57 57 GLU HB3 H 1 2.049 0.030 . 2 . . . . 57 GLU HB3 . 10044 1 626 . 1 1 57 57 GLU HG2 H 1 2.204 0.030 . 2 . . . . 57 GLU HG2 . 10044 1 627 . 1 1 57 57 GLU HG3 H 1 2.500 0.030 . 2 . . . . 57 GLU HG3 . 10044 1 628 . 1 1 57 57 GLU C C 13 178.806 0.300 . 1 . . . . 57 GLU C . 10044 1 629 . 1 1 57 57 GLU CA C 13 58.929 0.300 . 1 . . . . 57 GLU CA . 10044 1 630 . 1 1 57 57 GLU CB C 13 30.364 0.300 . 1 . . . . 57 GLU CB . 10044 1 631 . 1 1 57 57 GLU CG C 13 36.734 0.300 . 1 . . . . 57 GLU CG . 10044 1 632 . 1 1 57 57 GLU N N 15 117.611 0.300 . 1 . . . . 57 GLU N . 10044 1 633 . 1 1 58 58 THR H H 1 7.830 0.030 . 1 . . . . 58 THR H . 10044 1 634 . 1 1 58 58 THR HA H 1 4.170 0.030 . 1 . . . . 58 THR HA . 10044 1 635 . 1 1 58 58 THR HB H 1 3.787 0.030 . 1 . . . . 58 THR HB . 10044 1 636 . 1 1 58 58 THR HG21 H 1 0.716 0.030 . 1 . . . . 58 THR HG2 . 10044 1 637 . 1 1 58 58 THR HG22 H 1 0.716 0.030 . 1 . . . . 58 THR HG2 . 10044 1 638 . 1 1 58 58 THR HG23 H 1 0.716 0.030 . 1 . . . . 58 THR HG2 . 10044 1 639 . 1 1 58 58 THR C C 13 176.547 0.300 . 1 . . . . 58 THR C . 10044 1 640 . 1 1 58 58 THR CA C 13 62.844 0.300 . 1 . . . . 58 THR CA . 10044 1 641 . 1 1 58 58 THR CB C 13 71.424 0.300 . 1 . . . . 58 THR CB . 10044 1 642 . 1 1 58 58 THR CG2 C 13 20.825 0.300 . 1 . . . . 58 THR CG2 . 10044 1 643 . 1 1 58 58 THR N N 15 105.932 0.300 . 1 . . . . 58 THR N . 10044 1 644 . 1 1 59 59 GLY H H 1 7.666 0.030 . 1 . . . . 59 GLY H . 10044 1 645 . 1 1 59 59 GLY HA2 H 1 4.120 0.030 . 2 . . . . 59 GLY HA2 . 10044 1 646 . 1 1 59 59 GLY HA3 H 1 3.750 0.030 . 2 . . . . 59 GLY HA3 . 10044 1 647 . 1 1 59 59 GLY C C 13 173.973 0.300 . 1 . . . . 59 GLY C . 10044 1 648 . 1 1 59 59 GLY CA C 13 45.790 0.300 . 1 . . . . 59 GLY CA . 10044 1 649 . 1 1 59 59 GLY N N 15 111.139 0.300 . 1 . . . . 59 GLY N . 10044 1 650 . 1 1 60 60 VAL H H 1 7.493 0.030 . 1 . . . . 60 VAL H . 10044 1 651 . 1 1 60 60 VAL HA H 1 4.295 0.030 . 1 . . . . 60 VAL HA . 10044 1 652 . 1 1 60 60 VAL HB H 1 1.997 0.030 . 1 . . . . 60 VAL HB . 10044 1 653 . 1 1 60 60 VAL HG11 H 1 0.825 0.030 . 1 . . . . 60 VAL HG1 . 10044 1 654 . 1 1 60 60 VAL HG12 H 1 0.825 0.030 . 1 . . . . 60 VAL HG1 . 10044 1 655 . 1 1 60 60 VAL HG13 H 1 0.825 0.030 . 1 . . . . 60 VAL HG1 . 10044 1 656 . 1 1 60 60 VAL HG21 H 1 0.998 0.030 . 1 . . . . 60 VAL HG2 . 10044 1 657 . 1 1 60 60 VAL HG22 H 1 0.998 0.030 . 1 . . . . 60 VAL HG2 . 10044 1 658 . 1 1 60 60 VAL HG23 H 1 0.998 0.030 . 1 . . . . 60 VAL HG2 . 10044 1 659 . 1 1 60 60 VAL C C 13 173.365 0.300 . 1 . . . . 60 VAL C . 10044 1 660 . 1 1 60 60 VAL CA C 13 60.128 0.300 . 1 . . . . 60 VAL CA . 10044 1 661 . 1 1 60 60 VAL CB C 13 33.309 0.300 . 1 . . . . 60 VAL CB . 10044 1 662 . 1 1 60 60 VAL CG1 C 13 21.189 0.300 . 2 . . . . 60 VAL CG1 . 10044 1 663 . 1 1 60 60 VAL CG2 C 13 20.818 0.300 . 2 . . . . 60 VAL CG2 . 10044 1 664 . 1 1 60 60 VAL N N 15 123.702 0.300 . 1 . . . . 60 VAL N . 10044 1 665 . 1 1 61 61 PRO HA H 1 4.563 0.030 . 1 . . . . 61 PRO HA . 10044 1 666 . 1 1 61 61 PRO HB2 H 1 2.580 0.030 . 2 . . . . 61 PRO HB2 . 10044 1 667 . 1 1 61 61 PRO HB3 H 1 1.885 0.030 . 2 . . . . 61 PRO HB3 . 10044 1 668 . 1 1 61 61 PRO HG2 H 1 2.117 0.030 . 2 . . . . 61 PRO HG2 . 10044 1 669 . 1 1 61 61 PRO HG3 H 1 2.078 0.030 . 2 . . . . 61 PRO HG3 . 10044 1 670 . 1 1 61 61 PRO HD2 H 1 4.331 0.030 . 2 . . . . 61 PRO HD2 . 10044 1 671 . 1 1 61 61 PRO HD3 H 1 3.503 0.030 . 2 . . . . 61 PRO HD3 . 10044 1 672 . 1 1 61 61 PRO C C 13 178.296 0.300 . 1 . . . . 61 PRO C . 10044 1 673 . 1 1 61 61 PRO CA C 13 62.350 0.300 . 1 . . . . 61 PRO CA . 10044 1 674 . 1 1 61 61 PRO CB C 13 33.183 0.300 . 1 . . . . 61 PRO CB . 10044 1 675 . 1 1 61 61 PRO CG C 13 28.079 0.300 . 1 . . . . 61 PRO CG . 10044 1 676 . 1 1 61 61 PRO CD C 13 51.047 0.300 . 1 . . . . 61 PRO CD . 10044 1 677 . 1 1 62 62 ARG H H 1 9.139 0.030 . 1 . . . . 62 ARG H . 10044 1 678 . 1 1 62 62 ARG HA H 1 3.812 0.030 . 1 . . . . 62 ARG HA . 10044 1 679 . 1 1 62 62 ARG HB2 H 1 2.040 0.030 . 2 . . . . 62 ARG HB2 . 10044 1 680 . 1 1 62 62 ARG HB3 H 1 1.834 0.030 . 2 . . . . 62 ARG HB3 . 10044 1 681 . 1 1 62 62 ARG HG2 H 1 1.638 0.030 . 2 . . . . 62 ARG HG2 . 10044 1 682 . 1 1 62 62 ARG HG3 H 1 1.498 0.030 . 2 . . . . 62 ARG HG3 . 10044 1 683 . 1 1 62 62 ARG HD2 H 1 3.248 0.030 . 1 . . . . 62 ARG HD2 . 10044 1 684 . 1 1 62 62 ARG HD3 H 1 3.248 0.030 . 1 . . . . 62 ARG HD3 . 10044 1 685 . 1 1 62 62 ARG C C 13 177.871 0.300 . 1 . . . . 62 ARG C . 10044 1 686 . 1 1 62 62 ARG CA C 13 60.728 0.300 . 1 . . . . 62 ARG CA . 10044 1 687 . 1 1 62 62 ARG CB C 13 30.281 0.300 . 1 . . . . 62 ARG CB . 10044 1 688 . 1 1 62 62 ARG CG C 13 27.914 0.300 . 1 . . . . 62 ARG CG . 10044 1 689 . 1 1 62 62 ARG CD C 13 43.658 0.300 . 1 . . . . 62 ARG CD . 10044 1 690 . 1 1 62 62 ARG N N 15 125.873 0.300 . 1 . . . . 62 ARG N . 10044 1 691 . 1 1 63 63 GLN H H 1 9.129 0.030 . 1 . . . . 63 GLN H . 10044 1 692 . 1 1 63 63 GLN HA H 1 4.109 0.030 . 1 . . . . 63 GLN HA . 10044 1 693 . 1 1 63 63 GLN HB2 H 1 2.084 0.030 . 2 . . . . 63 GLN HB2 . 10044 1 694 . 1 1 63 63 GLN HB3 H 1 2.157 0.030 . 2 . . . . 63 GLN HB3 . 10044 1 695 . 1 1 63 63 GLN HG2 H 1 2.533 0.030 . 1 . . . . 63 GLN HG2 . 10044 1 696 . 1 1 63 63 GLN HG3 H 1 2.533 0.030 . 1 . . . . 63 GLN HG3 . 10044 1 697 . 1 1 63 63 GLN HE21 H 1 7.537 0.030 . 2 . . . . 63 GLN HE21 . 10044 1 698 . 1 1 63 63 GLN HE22 H 1 6.983 0.030 . 2 . . . . 63 GLN HE22 . 10044 1 699 . 1 1 63 63 GLN C C 13 178.272 0.300 . 1 . . . . 63 GLN C . 10044 1 700 . 1 1 63 63 GLN CA C 13 59.035 0.300 . 1 . . . . 63 GLN CA . 10044 1 701 . 1 1 63 63 GLN CB C 13 27.891 0.300 . 1 . . . . 63 GLN CB . 10044 1 702 . 1 1 63 63 GLN CG C 13 33.437 0.300 . 1 . . . . 63 GLN CG . 10044 1 703 . 1 1 63 63 GLN N N 15 115.978 0.300 . 1 . . . . 63 GLN N . 10044 1 704 . 1 1 63 63 GLN NE2 N 15 111.978 0.300 . 1 . . . . 63 GLN NE2 . 10044 1 705 . 1 1 64 64 VAL H H 1 6.923 0.030 . 1 . . . . 64 VAL H . 10044 1 706 . 1 1 64 64 VAL HA H 1 3.846 0.030 . 1 . . . . 64 VAL HA . 10044 1 707 . 1 1 64 64 VAL HB H 1 2.271 0.030 . 1 . . . . 64 VAL HB . 10044 1 708 . 1 1 64 64 VAL HG11 H 1 1.137 0.030 . 1 . . . . 64 VAL HG1 . 10044 1 709 . 1 1 64 64 VAL HG12 H 1 1.137 0.030 . 1 . . . . 64 VAL HG1 . 10044 1 710 . 1 1 64 64 VAL HG13 H 1 1.137 0.030 . 1 . . . . 64 VAL HG1 . 10044 1 711 . 1 1 64 64 VAL HG21 H 1 1.183 0.030 . 1 . . . . 64 VAL HG2 . 10044 1 712 . 1 1 64 64 VAL HG22 H 1 1.183 0.030 . 1 . . . . 64 VAL HG2 . 10044 1 713 . 1 1 64 64 VAL HG23 H 1 1.183 0.030 . 1 . . . . 64 VAL HG2 . 10044 1 714 . 1 1 64 64 VAL C C 13 178.223 0.300 . 1 . . . . 64 VAL C . 10044 1 715 . 1 1 64 64 VAL CA C 13 65.419 0.300 . 1 . . . . 64 VAL CA . 10044 1 716 . 1 1 64 64 VAL CB C 13 31.994 0.300 . 1 . . . . 64 VAL CB . 10044 1 717 . 1 1 64 64 VAL CG1 C 13 22.588 0.300 . 2 . . . . 64 VAL CG1 . 10044 1 718 . 1 1 64 64 VAL CG2 C 13 21.746 0.300 . 2 . . . . 64 VAL CG2 . 10044 1 719 . 1 1 64 64 VAL N N 15 119.189 0.300 . 1 . . . . 64 VAL N . 10044 1 720 . 1 1 65 65 LEU H H 1 8.041 0.030 . 1 . . . . 65 LEU H . 10044 1 721 . 1 1 65 65 LEU HA H 1 4.078 0.030 . 1 . . . . 65 LEU HA . 10044 1 722 . 1 1 65 65 LEU HB2 H 1 2.065 0.030 . 2 . . . . 65 LEU HB2 . 10044 1 723 . 1 1 65 65 LEU HB3 H 1 1.375 0.030 . 2 . . . . 65 LEU HB3 . 10044 1 724 . 1 1 65 65 LEU HG H 1 0.701 0.030 . 1 . . . . 65 LEU HG . 10044 1 725 . 1 1 65 65 LEU HD11 H 1 0.676 0.030 . 1 . . . . 65 LEU HD1 . 10044 1 726 . 1 1 65 65 LEU HD12 H 1 0.676 0.030 . 1 . . . . 65 LEU HD1 . 10044 1 727 . 1 1 65 65 LEU HD13 H 1 0.676 0.030 . 1 . . . . 65 LEU HD1 . 10044 1 728 . 1 1 65 65 LEU HD21 H 1 1.460 0.030 . 1 . . . . 65 LEU HD2 . 10044 1 729 . 1 1 65 65 LEU HD22 H 1 1.460 0.030 . 1 . . . . 65 LEU HD2 . 10044 1 730 . 1 1 65 65 LEU HD23 H 1 1.460 0.030 . 1 . . . . 65 LEU HD2 . 10044 1 731 . 1 1 65 65 LEU C C 13 177.616 0.300 . 1 . . . . 65 LEU C . 10044 1 732 . 1 1 65 65 LEU CA C 13 58.153 0.300 . 1 . . . . 65 LEU CA . 10044 1 733 . 1 1 65 65 LEU CB C 13 41.740 0.300 . 1 . . . . 65 LEU CB . 10044 1 734 . 1 1 65 65 LEU CG C 13 26.486 0.300 . 1 . . . . 65 LEU CG . 10044 1 735 . 1 1 65 65 LEU CD1 C 13 23.064 0.300 . 2 . . . . 65 LEU CD1 . 10044 1 736 . 1 1 65 65 LEU CD2 C 13 27.153 0.300 . 2 . . . . 65 LEU CD2 . 10044 1 737 . 1 1 65 65 LEU N N 15 122.242 0.300 . 1 . . . . 65 LEU N . 10044 1 738 . 1 1 66 66 LYS H H 1 8.439 0.030 . 1 . . . . 66 LYS H . 10044 1 739 . 1 1 66 66 LYS HA H 1 3.829 0.030 . 1 . . . . 66 LYS HA . 10044 1 740 . 1 1 66 66 LYS HB2 H 1 1.977 0.030 . 2 . . . . 66 LYS HB2 . 10044 1 741 . 1 1 66 66 LYS HB3 H 1 1.875 0.030 . 2 . . . . 66 LYS HB3 . 10044 1 742 . 1 1 66 66 LYS HG2 H 1 1.580 0.030 . 2 . . . . 66 LYS HG2 . 10044 1 743 . 1 1 66 66 LYS HG3 H 1 1.400 0.030 . 2 . . . . 66 LYS HG3 . 10044 1 744 . 1 1 66 66 LYS HD2 H 1 1.736 0.030 . 1 . . . . 66 LYS HD2 . 10044 1 745 . 1 1 66 66 LYS HD3 H 1 1.736 0.030 . 1 . . . . 66 LYS HD3 . 10044 1 746 . 1 1 66 66 LYS HE2 H 1 2.996 0.030 . 1 . . . . 66 LYS HE2 . 10044 1 747 . 1 1 66 66 LYS HE3 H 1 2.996 0.030 . 1 . . . . 66 LYS HE3 . 10044 1 748 . 1 1 66 66 LYS C C 13 179.110 0.300 . 1 . . . . 66 LYS C . 10044 1 749 . 1 1 66 66 LYS CA C 13 60.833 0.300 . 1 . . . . 66 LYS CA . 10044 1 750 . 1 1 66 66 LYS CB C 13 32.734 0.300 . 1 . . . . 66 LYS CB . 10044 1 751 . 1 1 66 66 LYS CG C 13 25.476 0.300 . 1 . . . . 66 LYS CG . 10044 1 752 . 1 1 66 66 LYS CD C 13 29.727 0.300 . 1 . . . . 66 LYS CD . 10044 1 753 . 1 1 66 66 LYS CE C 13 42.092 0.300 . 1 . . . . 66 LYS CE . 10044 1 754 . 1 1 66 66 LYS N N 15 117.295 0.300 . 1 . . . . 66 LYS N . 10044 1 755 . 1 1 67 67 VAL H H 1 7.440 0.030 . 1 . . . . 67 VAL H . 10044 1 756 . 1 1 67 67 VAL HA H 1 3.805 0.030 . 1 . . . . 67 VAL HA . 10044 1 757 . 1 1 67 67 VAL HB H 1 2.274 0.030 . 1 . . . . 67 VAL HB . 10044 1 758 . 1 1 67 67 VAL HG11 H 1 1.186 0.030 . 1 . . . . 67 VAL HG1 . 10044 1 759 . 1 1 67 67 VAL HG12 H 1 1.186 0.030 . 1 . . . . 67 VAL HG1 . 10044 1 760 . 1 1 67 67 VAL HG13 H 1 1.186 0.030 . 1 . . . . 67 VAL HG1 . 10044 1 761 . 1 1 67 67 VAL HG21 H 1 1.090 0.030 . 1 . . . . 67 VAL HG2 . 10044 1 762 . 1 1 67 67 VAL HG22 H 1 1.090 0.030 . 1 . . . . 67 VAL HG2 . 10044 1 763 . 1 1 67 67 VAL HG23 H 1 1.090 0.030 . 1 . . . . 67 VAL HG2 . 10044 1 764 . 1 1 67 67 VAL C C 13 177.616 0.300 . 1 . . . . 67 VAL C . 10044 1 765 . 1 1 67 67 VAL CA C 13 66.300 0.300 . 1 . . . . 67 VAL CA . 10044 1 766 . 1 1 67 67 VAL CB C 13 32.342 0.300 . 1 . . . . 67 VAL CB . 10044 1 767 . 1 1 67 67 VAL CG1 C 13 23.018 0.300 . 2 . . . . 67 VAL CG1 . 10044 1 768 . 1 1 67 67 VAL CG2 C 13 21.567 0.300 . 2 . . . . 67 VAL CG2 . 10044 1 769 . 1 1 67 67 VAL N N 15 119.759 0.300 . 1 . . . . 67 VAL N . 10044 1 770 . 1 1 68 68 TRP H H 1 8.518 0.030 . 1 . . . . 68 TRP H . 10044 1 771 . 1 1 68 68 TRP HA H 1 4.223 0.030 . 1 . . . . 68 TRP HA . 10044 1 772 . 1 1 68 68 TRP HB2 H 1 3.498 0.030 . 2 . . . . 68 TRP HB2 . 10044 1 773 . 1 1 68 68 TRP HB3 H 1 3.273 0.030 . 2 . . . . 68 TRP HB3 . 10044 1 774 . 1 1 68 68 TRP HD1 H 1 7.270 0.030 . 1 . . . . 68 TRP HD1 . 10044 1 775 . 1 1 68 68 TRP HE1 H 1 10.059 0.030 . 1 . . . . 68 TRP HE1 . 10044 1 776 . 1 1 68 68 TRP HE3 H 1 7.180 0.030 . 1 . . . . 68 TRP HE3 . 10044 1 777 . 1 1 68 68 TRP HZ2 H 1 7.316 0.030 . 1 . . . . 68 TRP HZ2 . 10044 1 778 . 1 1 68 68 TRP HZ3 H 1 6.544 0.030 . 1 . . . . 68 TRP HZ3 . 10044 1 779 . 1 1 68 68 TRP HH2 H 1 6.875 0.030 . 1 . . . . 68 TRP HH2 . 10044 1 780 . 1 1 68 68 TRP C C 13 180.349 0.300 . 1 . . . . 68 TRP C . 10044 1 781 . 1 1 68 68 TRP CA C 13 63.161 0.300 . 1 . . . . 68 TRP CA . 10044 1 782 . 1 1 68 68 TRP CB C 13 28.913 0.300 . 1 . . . . 68 TRP CB . 10044 1 783 . 1 1 68 68 TRP CD1 C 13 127.432 0.300 . 1 . . . . 68 TRP CD1 . 10044 1 784 . 1 1 68 68 TRP CE3 C 13 119.822 0.300 . 1 . . . . 68 TRP CE3 . 10044 1 785 . 1 1 68 68 TRP CZ2 C 13 113.825 0.300 . 1 . . . . 68 TRP CZ2 . 10044 1 786 . 1 1 68 68 TRP CZ3 C 13 121.731 0.300 . 1 . . . . 68 TRP CZ3 . 10044 1 787 . 1 1 68 68 TRP CH2 C 13 123.627 0.300 . 1 . . . . 68 TRP CH2 . 10044 1 788 . 1 1 68 68 TRP N N 15 122.820 0.300 . 1 . . . . 68 TRP N . 10044 1 789 . 1 1 68 68 TRP NE1 N 15 129.162 0.300 . 1 . . . . 68 TRP NE1 . 10044 1 790 . 1 1 69 69 LEU H H 1 9.080 0.030 . 1 . . . . 69 LEU H . 10044 1 791 . 1 1 69 69 LEU HA H 1 4.040 0.030 . 1 . . . . 69 LEU HA . 10044 1 792 . 1 1 69 69 LEU HB2 H 1 2.065 0.030 . 2 . . . . 69 LEU HB2 . 10044 1 793 . 1 1 69 69 LEU HB3 H 1 1.581 0.030 . 2 . . . . 69 LEU HB3 . 10044 1 794 . 1 1 69 69 LEU HG H 1 2.082 0.030 . 1 . . . . 69 LEU HG . 10044 1 795 . 1 1 69 69 LEU HD11 H 1 0.675 0.030 . 1 . . . . 69 LEU HD1 . 10044 1 796 . 1 1 69 69 LEU HD12 H 1 0.675 0.030 . 1 . . . . 69 LEU HD1 . 10044 1 797 . 1 1 69 69 LEU HD13 H 1 0.675 0.030 . 1 . . . . 69 LEU HD1 . 10044 1 798 . 1 1 69 69 LEU HD21 H 1 0.701 0.030 . 1 . . . . 69 LEU HD2 . 10044 1 799 . 1 1 69 69 LEU HD22 H 1 0.701 0.030 . 1 . . . . 69 LEU HD2 . 10044 1 800 . 1 1 69 69 LEU HD23 H 1 0.701 0.030 . 1 . . . . 69 LEU HD2 . 10044 1 801 . 1 1 69 69 LEU C C 13 178.369 0.300 . 1 . . . . 69 LEU C . 10044 1 802 . 1 1 69 69 LEU CA C 13 58.311 0.300 . 1 . . . . 69 LEU CA . 10044 1 803 . 1 1 69 69 LEU CB C 13 42.441 0.300 . 1 . . . . 69 LEU CB . 10044 1 804 . 1 1 69 69 LEU CG C 13 26.729 0.300 . 1 . . . . 69 LEU CG . 10044 1 805 . 1 1 69 69 LEU CD1 C 13 26.760 0.300 . 2 . . . . 69 LEU CD1 . 10044 1 806 . 1 1 69 69 LEU CD2 C 13 24.534 0.300 . 2 . . . . 69 LEU CD2 . 10044 1 807 . 1 1 69 69 LEU N N 15 119.189 0.300 . 1 . . . . 69 LEU N . 10044 1 808 . 1 1 70 70 HIS H H 1 7.638 0.030 . 1 . . . . 70 HIS H . 10044 1 809 . 1 1 70 70 HIS HA H 1 4.317 0.030 . 1 . . . . 70 HIS HA . 10044 1 810 . 1 1 70 70 HIS HB2 H 1 3.378 0.030 . 2 . . . . 70 HIS HB2 . 10044 1 811 . 1 1 70 70 HIS HB3 H 1 3.332 0.030 . 2 . . . . 70 HIS HB3 . 10044 1 812 . 1 1 70 70 HIS HD2 H 1 7.204 0.030 . 1 . . . . 70 HIS HD2 . 10044 1 813 . 1 1 70 70 HIS C C 13 177.179 0.300 . 1 . . . . 70 HIS C . 10044 1 814 . 1 1 70 70 HIS CA C 13 59.194 0.300 . 1 . . . . 70 HIS CA . 10044 1 815 . 1 1 70 70 HIS CB C 13 29.581 0.300 . 1 . . . . 70 HIS CB . 10044 1 816 . 1 1 70 70 HIS CD2 C 13 120.289 0.300 . 1 . . . . 70 HIS CD2 . 10044 1 817 . 1 1 70 70 HIS N N 15 115.874 0.300 . 1 . . . . 70 HIS N . 10044 1 818 . 1 1 71 71 ASN H H 1 8.213 0.030 . 1 . . . . 71 ASN H . 10044 1 819 . 1 1 71 71 ASN HA H 1 4.502 0.030 . 1 . . . . 71 ASN HA . 10044 1 820 . 1 1 71 71 ASN HB2 H 1 2.764 0.030 . 2 . . . . 71 ASN HB2 . 10044 1 821 . 1 1 71 71 ASN HB3 H 1 2.704 0.030 . 2 . . . . 71 ASN HB3 . 10044 1 822 . 1 1 71 71 ASN HD21 H 1 7.705 0.030 . 2 . . . . 71 ASN HD21 . 10044 1 823 . 1 1 71 71 ASN HD22 H 1 7.053 0.030 . 2 . . . . 71 ASN HD22 . 10044 1 824 . 1 1 71 71 ASN C C 13 176.207 0.300 . 1 . . . . 71 ASN C . 10044 1 825 . 1 1 71 71 ASN CA C 13 54.344 0.300 . 1 . . . . 71 ASN CA . 10044 1 826 . 1 1 71 71 ASN CB C 13 39.078 0.300 . 1 . . . . 71 ASN CB . 10044 1 827 . 1 1 71 71 ASN N N 15 115.085 0.300 . 1 . . . . 71 ASN N . 10044 1 828 . 1 1 71 71 ASN ND2 N 15 113.144 0.300 . 1 . . . . 71 ASN ND2 . 10044 1 829 . 1 1 72 72 ASN H H 1 7.520 0.030 . 1 . . . . 72 ASN H . 10044 1 830 . 1 1 72 72 ASN HA H 1 4.413 0.030 . 1 . . . . 72 ASN HA . 10044 1 831 . 1 1 72 72 ASN HB2 H 1 2.101 0.030 . 2 . . . . 72 ASN HB2 . 10044 1 832 . 1 1 72 72 ASN HB3 H 1 1.484 0.030 . 2 . . . . 72 ASN HB3 . 10044 1 833 . 1 1 72 72 ASN HD21 H 1 6.674 0.030 . 2 . . . . 72 ASN HD21 . 10044 1 834 . 1 1 72 72 ASN HD22 H 1 6.533 0.030 . 2 . . . . 72 ASN HD22 . 10044 1 835 . 1 1 72 72 ASN C C 13 173.195 0.300 . 1 . . . . 72 ASN C . 10044 1 836 . 1 1 72 72 ASN CA C 13 53.991 0.300 . 1 . . . . 72 ASN CA . 10044 1 837 . 1 1 72 72 ASN CB C 13 39.391 0.300 . 1 . . . . 72 ASN CB . 10044 1 838 . 1 1 72 72 ASN N N 15 116.348 0.300 . 1 . . . . 72 ASN N . 10044 1 839 . 1 1 72 72 ASN ND2 N 15 115.332 0.300 . 1 . . . . 72 ASN ND2 . 10044 1 840 . 1 1 73 73 LYS H H 1 7.154 0.030 . 1 . . . . 73 LYS H . 10044 1 841 . 1 1 73 73 LYS HA H 1 2.884 0.030 . 1 . . . . 73 LYS HA . 10044 1 842 . 1 1 73 73 LYS HB2 H 1 1.605 0.030 . 2 . . . . 73 LYS HB2 . 10044 1 843 . 1 1 73 73 LYS HB3 H 1 1.526 0.030 . 2 . . . . 73 LYS HB3 . 10044 1 844 . 1 1 73 73 LYS HG2 H 1 1.051 0.030 . 2 . . . . 73 LYS HG2 . 10044 1 845 . 1 1 73 73 LYS HG3 H 1 0.841 0.030 . 2 . . . . 73 LYS HG3 . 10044 1 846 . 1 1 73 73 LYS HD2 H 1 1.519 0.030 . 1 . . . . 73 LYS HD2 . 10044 1 847 . 1 1 73 73 LYS HD3 H 1 1.519 0.030 . 1 . . . . 73 LYS HD3 . 10044 1 848 . 1 1 73 73 LYS HE2 H 1 2.819 0.030 . 1 . . . . 73 LYS HE2 . 10044 1 849 . 1 1 73 73 LYS HE3 H 1 2.819 0.030 . 1 . . . . 73 LYS HE3 . 10044 1 850 . 1 1 73 73 LYS C C 13 175.697 0.300 . 1 . . . . 73 LYS C . 10044 1 851 . 1 1 73 73 LYS CA C 13 56.883 0.300 . 1 . . . . 73 LYS CA . 10044 1 852 . 1 1 73 73 LYS CB C 13 32.266 0.300 . 1 . . . . 73 LYS CB . 10044 1 853 . 1 1 73 73 LYS CG C 13 23.812 0.300 . 1 . . . . 73 LYS CG . 10044 1 854 . 1 1 73 73 LYS CD C 13 29.315 0.300 . 1 . . . . 73 LYS CD . 10044 1 855 . 1 1 73 73 LYS CE C 13 42.092 0.300 . 1 . . . . 73 LYS CE . 10044 1 856 . 1 1 73 73 LYS N N 15 120.294 0.300 . 1 . . . . 73 LYS N . 10044 1 857 . 1 1 74 74 HIS H H 1 7.609 0.030 . 1 . . . . 74 HIS H . 10044 1 858 . 1 1 74 74 HIS HA H 1 4.442 0.030 . 1 . . . . 74 HIS HA . 10044 1 859 . 1 1 74 74 HIS HB2 H 1 3.010 0.030 . 2 . . . . 74 HIS HB2 . 10044 1 860 . 1 1 74 74 HIS HB3 H 1 2.859 0.030 . 2 . . . . 74 HIS HB3 . 10044 1 861 . 1 1 74 74 HIS HD2 H 1 6.981 0.030 . 1 . . . . 74 HIS HD2 . 10044 1 862 . 1 1 74 74 HIS C C 13 174.459 0.300 . 1 . . . . 74 HIS C . 10044 1 863 . 1 1 74 74 HIS CA C 13 55.190 0.300 . 1 . . . . 74 HIS CA . 10044 1 864 . 1 1 74 74 HIS CB C 13 29.107 0.300 . 1 . . . . 74 HIS CB . 10044 1 865 . 1 1 74 74 HIS CD2 C 13 120.114 0.300 . 1 . . . . 74 HIS CD2 . 10044 1 866 . 1 1 74 74 HIS N N 15 119.505 0.300 . 1 . . . . 74 HIS N . 10044 1 867 . 1 1 75 75 SER H H 1 8.054 0.030 . 1 . . . . 75 SER H . 10044 1 868 . 1 1 75 75 SER HA H 1 3.776 0.030 . 1 . . . . 75 SER HA . 10044 1 869 . 1 1 75 75 SER C C 13 174.337 0.300 . 1 . . . . 75 SER C . 10044 1 870 . 1 1 75 75 SER CA C 13 63.966 0.300 . 1 . . . . 75 SER CA . 10044 1 871 . 1 1 75 75 SER N N 15 116.821 0.300 . 1 . . . . 75 SER N . 10044 1 872 . 1 1 76 76 GLY H H 1 8.189 0.030 . 1 . . . . 76 GLY H . 10044 1 873 . 1 1 76 76 GLY N N 15 110.750 0.300 . 1 . . . . 76 GLY N . 10044 1 874 . 1 1 77 77 PRO HA H 1 4.476 0.030 . 1 . . . . 77 PRO HA . 10044 1 875 . 1 1 77 77 PRO HB2 H 1 2.305 0.030 . 2 . . . . 77 PRO HB2 . 10044 1 876 . 1 1 77 77 PRO HB3 H 1 1.987 0.030 . 2 . . . . 77 PRO HB3 . 10044 1 877 . 1 1 77 77 PRO HD2 H 1 3.634 0.030 . 2 . . . . 77 PRO HD2 . 10044 1 878 . 1 1 77 77 PRO HD3 H 1 3.611 0.030 . 2 . . . . 77 PRO HD3 . 10044 1 879 . 1 1 77 77 PRO CA C 13 63.329 0.300 . 1 . . . . 77 PRO CA . 10044 1 880 . 1 1 77 77 PRO CB C 13 32.218 0.300 . 1 . . . . 77 PRO CB . 10044 1 881 . 1 1 77 77 PRO CD C 13 49.833 0.300 . 1 . . . . 77 PRO CD . 10044 1 882 . 1 1 78 78 SER H H 1 8.519 0.030 . 1 . . . . 78 SER H . 10044 1 883 . 1 1 78 78 SER HA H 1 3.889 0.030 . 1 . . . . 78 SER HA . 10044 1 884 . 1 1 78 78 SER N N 15 116.356 0.300 . 1 . . . . 78 SER N . 10044 1 stop_ save_