data_10296 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10296 _Entry.Title ; Solution structure of the homeobox domain of Homeobox protein goosecoid ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-17 _Entry.Accession_date 2008-12-18 _Entry.Last_release_date 2009-12-17 _Entry.Original_release_date 2009-12-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Ohnishi . . . 10296 2 M. Sato . . . 10296 3 S. Koshiba . . . 10296 4 M. Inoue . . . 10296 5 T. Kigawa . . . 10296 6 S. Yokoyama . . . 10296 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10296 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10296 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 10296 '15N chemical shifts' 63 10296 '1H chemical shifts' 423 10296 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-12-17 2008-12-17 original author . 10296 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DMU 'BMRB Entry Tracking System' 10296 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10296 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the homeobox domain of Homeobox protein goosecoid' _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 S. Ohnishi . . . 10296 1 2 M. Sato . . . 10296 1 3 S. Koshiba . . . 10296 1 4 M. Inoue . . . 10296 1 5 T. Kigawa . . . 10296 1 6 S. Yokoyama . . . 10296 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10296 _Assembly.ID 1 _Assembly.Name 'Homeobox protein goosecoid' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'homeobox domain' 1 $entity_1 . . yes native no no . . . 10296 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 2DMU . . . . . . 10296 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10296 _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 ; GSSGSSGRRHRTIFTDEQLE ALENLFQETKYPDVGTREQL ARKVHLREEKVEVWFKNRRA KWRRSGPSSG ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DMU . "Solution Structure Of The Homeobox Domain Of Homeobox Protein Goosecoid" . . . . . 100.00 70 100.00 100.00 5.83e-42 . . . . 10296 1 2 no DBJ BAG73208 . "goosecoid homeobox [synthetic construct]" . . . . . 81.43 257 100.00 100.00 4.41e-32 . . . . 10296 1 3 no DBJ BAK40073 . "homeobox protein Goosecoid [Takifugu niphobles]" . . . . . 81.43 237 98.25 98.25 2.15e-31 . . . . 10296 1 4 no DBJ BAR79454 . "gsc [Paroedura picta]" . . . . . 81.43 264 98.25 100.00 1.31e-31 . . . . 10296 1 5 no EMBL CAA49897 . "chicken goosecoid [Gallus gallus]" . . . . . 81.43 245 100.00 100.00 4.11e-32 . . . . 10296 1 6 no EMBL CAA73611 . "goosecoid homeobox protein [Mus musculus]" . . . . . 81.43 256 100.00 100.00 4.23e-32 . . . . 10296 1 7 no EMBL CAA73612 . "goosecoid homeobox protein [Mus musculus]" . . . . . 81.43 256 100.00 100.00 4.23e-32 . . . . 10296 1 8 no EMBL CAA76833 . "goosecoid protein [Sus scrofa]" . . . . . 81.43 109 100.00 100.00 3.43e-32 . . . . 10296 1 9 no EMBL CAJ82436 . "goosecoid [Xenopus (Silurana) tropicalis]" . . . . . 81.43 292 98.25 100.00 3.36e-31 . . . . 10296 1 10 no GB AAA37826 . "homeobox protein [Mus musculus]" . . . . . 81.43 256 100.00 100.00 4.23e-32 . . . . 10296 1 11 no GB AAA49729 . "homeobox protein [Xenopus laevis]" . . . . . 81.43 243 98.25 100.00 1.63e-31 . . . . 10296 1 12 no GB AAA49744 . "homeobox gene; putative, partial [Xenopus laevis]" . . . . . 81.43 293 98.25 100.00 5.42e-31 . . . . 10296 1 13 no GB AAA50028 . "homeodomain protein, partial [Danio rerio]" . . . . . 81.43 135 100.00 100.00 2.26e-32 . . . . 10296 1 14 no GB AAA50030 . "homeodomain protein [Danio rerio]" . . . . . 81.43 240 100.00 100.00 6.48e-32 . . . . 10296 1 15 no REF NP_001016704 . "homeobox protein goosecoid [Xenopus (Silurana) tropicalis]" . . . . . 81.43 243 98.25 100.00 1.52e-31 . . . . 10296 1 16 no REF NP_001074955 . "homeobox protein goosecoid [Pan troglodytes]" . . . . . 81.43 257 100.00 100.00 3.61e-32 . . . . 10296 1 17 no REF NP_001081278 . "homeobox protein goosecoid isoform B [Xenopus laevis]" . . . . . 81.43 243 98.25 100.00 1.63e-31 . . . . 10296 1 18 no REF NP_001093429 . "homeobox protein goosecoid [Oryctolagus cuniculus]" . . . . . 81.43 260 100.00 100.00 4.94e-32 . . . . 10296 1 19 no REF NP_001107361 . "uncharacterized protein LOC100135186 [Xenopus (Silurana) tropicalis]" . . . . . 81.43 243 98.25 100.00 1.63e-31 . . . . 10296 1 20 no SP A1YEY5 . "RecName: Full=Homeobox protein goosecoid" . . . . . 81.43 257 100.00 100.00 3.61e-32 . . . . 10296 1 21 no SP A1YFI3 . "RecName: Full=Homeobox protein goosecoid" . . . . . 81.43 257 100.00 100.00 4.27e-32 . . . . 10296 1 22 no SP A1YG57 . "RecName: Full=Homeobox protein goosecoid" . . . . . 81.43 257 100.00 100.00 3.61e-32 . . . . 10296 1 23 no SP A2T733 . "RecName: Full=Homeobox protein goosecoid" . . . . . 81.43 257 100.00 100.00 3.61e-32 . . . . 10296 1 24 no SP A2T7P4 . "RecName: Full=Homeobox protein goosecoid" . . . . . 81.43 257 100.00 100.00 3.46e-32 . . . . 10296 1 25 no TPG DAA17416 . "TPA: goosecoid homeobox-like [Bos taurus]" . . . . . 81.43 257 100.00 100.00 6.81e-32 . . . . 10296 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10296 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 . 10296 1 2 . SER . 10296 1 3 . SER . 10296 1 4 . GLY . 10296 1 5 . SER . 10296 1 6 . SER . 10296 1 7 . GLY . 10296 1 8 . ARG . 10296 1 9 . ARG . 10296 1 10 . HIS . 10296 1 11 . ARG . 10296 1 12 . THR . 10296 1 13 . ILE . 10296 1 14 . PHE . 10296 1 15 . THR . 10296 1 16 . ASP . 10296 1 17 . GLU . 10296 1 18 . GLN . 10296 1 19 . LEU . 10296 1 20 . GLU . 10296 1 21 . ALA . 10296 1 22 . LEU . 10296 1 23 . GLU . 10296 1 24 . ASN . 10296 1 25 . LEU . 10296 1 26 . PHE . 10296 1 27 . GLN . 10296 1 28 . GLU . 10296 1 29 . THR . 10296 1 30 . LYS . 10296 1 31 . TYR . 10296 1 32 . PRO . 10296 1 33 . ASP . 10296 1 34 . VAL . 10296 1 35 . GLY . 10296 1 36 . THR . 10296 1 37 . ARG . 10296 1 38 . GLU . 10296 1 39 . GLN . 10296 1 40 . LEU . 10296 1 41 . ALA . 10296 1 42 . ARG . 10296 1 43 . LYS . 10296 1 44 . VAL . 10296 1 45 . HIS . 10296 1 46 . LEU . 10296 1 47 . ARG . 10296 1 48 . GLU . 10296 1 49 . GLU . 10296 1 50 . LYS . 10296 1 51 . VAL . 10296 1 52 . GLU . 10296 1 53 . VAL . 10296 1 54 . TRP . 10296 1 55 . PHE . 10296 1 56 . LYS . 10296 1 57 . ASN . 10296 1 58 . ARG . 10296 1 59 . ARG . 10296 1 60 . ALA . 10296 1 61 . LYS . 10296 1 62 . TRP . 10296 1 63 . ARG . 10296 1 64 . ARG . 10296 1 65 . SER . 10296 1 66 . GLY . 10296 1 67 . PRO . 10296 1 68 . SER . 10296 1 69 . SER . 10296 1 70 . GLY . 10296 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 10296 1 . SER 2 2 10296 1 . SER 3 3 10296 1 . GLY 4 4 10296 1 . SER 5 5 10296 1 . SER 6 6 10296 1 . GLY 7 7 10296 1 . ARG 8 8 10296 1 . ARG 9 9 10296 1 . HIS 10 10 10296 1 . ARG 11 11 10296 1 . THR 12 12 10296 1 . ILE 13 13 10296 1 . PHE 14 14 10296 1 . THR 15 15 10296 1 . ASP 16 16 10296 1 . GLU 17 17 10296 1 . GLN 18 18 10296 1 . LEU 19 19 10296 1 . GLU 20 20 10296 1 . ALA 21 21 10296 1 . LEU 22 22 10296 1 . GLU 23 23 10296 1 . ASN 24 24 10296 1 . LEU 25 25 10296 1 . PHE 26 26 10296 1 . GLN 27 27 10296 1 . GLU 28 28 10296 1 . THR 29 29 10296 1 . LYS 30 30 10296 1 . TYR 31 31 10296 1 . PRO 32 32 10296 1 . ASP 33 33 10296 1 . VAL 34 34 10296 1 . GLY 35 35 10296 1 . THR 36 36 10296 1 . ARG 37 37 10296 1 . GLU 38 38 10296 1 . GLN 39 39 10296 1 . LEU 40 40 10296 1 . ALA 41 41 10296 1 . ARG 42 42 10296 1 . LYS 43 43 10296 1 . VAL 44 44 10296 1 . HIS 45 45 10296 1 . LEU 46 46 10296 1 . ARG 47 47 10296 1 . GLU 48 48 10296 1 . GLU 49 49 10296 1 . LYS 50 50 10296 1 . VAL 51 51 10296 1 . GLU 52 52 10296 1 . VAL 53 53 10296 1 . TRP 54 54 10296 1 . PHE 55 55 10296 1 . LYS 56 56 10296 1 . ASN 57 57 10296 1 . ARG 58 58 10296 1 . ARG 59 59 10296 1 . ALA 60 60 10296 1 . LYS 61 61 10296 1 . TRP 62 62 10296 1 . ARG 63 63 10296 1 . ARG 64 64 10296 1 . SER 65 65 10296 1 . GLY 66 66 10296 1 . PRO 67 67 10296 1 . SER 68 68 10296 1 . SER 69 69 10296 1 . GLY 70 70 10296 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 10296 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10296 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 10296 _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 . . P050919-23 . . . . . . 10296 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10296 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'homeobox domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 10296 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10296 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10296 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10296 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10296 1 6 D2O . . . . . . solvent 10 . . % . . . . 10296 1 7 H2O . . . . . . solvent 90 . . % . . . . 10296 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 10296 _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 10296 1 pH 7.0 0.05 pH 10296 1 pressure 1 0.001 atm 10296 1 temperature 296 0.1 K 10296 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10296 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10296 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10296 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10296 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10296 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10296 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10296 _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.' . . 10296 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10296 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10296 _Software.ID 4 _Software.Name Kujira _Software.Version 0.965 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10296 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10296 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10296 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10296 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10296 5 'structure solution' 10296 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 10296 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10296 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 700 . . . 10296 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10296 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10296 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10296 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10296 _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 . . . . . . . . . 10296 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10296 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10296 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 10296 _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 10296 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10296 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 10 10 HIS HA H 1 4.605 0.030 . 1 . . . . 10 HIS HA . 10296 1 2 . 1 1 10 10 HIS HB2 H 1 3.025 0.030 . 2 . . . . 10 HIS HB2 . 10296 1 3 . 1 1 10 10 HIS HB3 H 1 3.125 0.030 . 2 . . . . 10 HIS HB3 . 10296 1 4 . 1 1 10 10 HIS HD2 H 1 6.987 0.030 . 1 . . . . 10 HIS HD2 . 10296 1 5 . 1 1 10 10 HIS CA C 13 56.397 0.300 . 1 . . . . 10 HIS CA . 10296 1 6 . 1 1 10 10 HIS CB C 13 29.857 0.300 . 1 . . . . 10 HIS CB . 10296 1 7 . 1 1 10 10 HIS CD2 C 13 120.020 0.300 . 1 . . . . 10 HIS CD2 . 10296 1 8 . 1 1 12 12 THR HA H 1 4.305 0.030 . 1 . . . . 12 THR HA . 10296 1 9 . 1 1 12 12 THR HB H 1 4.114 0.030 . 1 . . . . 12 THR HB . 10296 1 10 . 1 1 12 12 THR HG21 H 1 1.048 0.030 . 1 . . . . 12 THR HG2 . 10296 1 11 . 1 1 12 12 THR HG22 H 1 1.048 0.030 . 1 . . . . 12 THR HG2 . 10296 1 12 . 1 1 12 12 THR HG23 H 1 1.048 0.030 . 1 . . . . 12 THR HG2 . 10296 1 13 . 1 1 12 12 THR C C 13 173.925 0.300 . 1 . . . . 12 THR C . 10296 1 14 . 1 1 12 12 THR CA C 13 62.068 0.300 . 1 . . . . 12 THR CA . 10296 1 15 . 1 1 12 12 THR CB C 13 69.817 0.300 . 1 . . . . 12 THR CB . 10296 1 16 . 1 1 12 12 THR CG2 C 13 21.810 0.300 . 1 . . . . 12 THR CG2 . 10296 1 17 . 1 1 13 13 ILE H H 1 8.188 0.030 . 1 . . . . 13 ILE H . 10296 1 18 . 1 1 13 13 ILE HA H 1 4.139 0.030 . 1 . . . . 13 ILE HA . 10296 1 19 . 1 1 13 13 ILE HB H 1 1.772 0.030 . 1 . . . . 13 ILE HB . 10296 1 20 . 1 1 13 13 ILE HD11 H 1 0.763 0.030 . 1 . . . . 13 ILE HD1 . 10296 1 21 . 1 1 13 13 ILE HD12 H 1 0.763 0.030 . 1 . . . . 13 ILE HD1 . 10296 1 22 . 1 1 13 13 ILE HD13 H 1 0.763 0.030 . 1 . . . . 13 ILE HD1 . 10296 1 23 . 1 1 13 13 ILE HG12 H 1 1.258 0.030 . 2 . . . . 13 ILE HG12 . 10296 1 24 . 1 1 13 13 ILE HG13 H 1 1.058 0.030 . 2 . . . . 13 ILE HG13 . 10296 1 25 . 1 1 13 13 ILE HG21 H 1 0.715 0.030 . 1 . . . . 13 ILE HG2 . 10296 1 26 . 1 1 13 13 ILE HG22 H 1 0.715 0.030 . 1 . . . . 13 ILE HG2 . 10296 1 27 . 1 1 13 13 ILE HG23 H 1 0.715 0.030 . 1 . . . . 13 ILE HG2 . 10296 1 28 . 1 1 13 13 ILE C C 13 175.795 0.300 . 1 . . . . 13 ILE C . 10296 1 29 . 1 1 13 13 ILE CA C 13 61.202 0.300 . 1 . . . . 13 ILE CA . 10296 1 30 . 1 1 13 13 ILE CB C 13 38.686 0.300 . 1 . . . . 13 ILE CB . 10296 1 31 . 1 1 13 13 ILE CD1 C 13 12.822 0.300 . 1 . . . . 13 ILE CD1 . 10296 1 32 . 1 1 13 13 ILE CG1 C 13 26.914 0.300 . 1 . . . . 13 ILE CG1 . 10296 1 33 . 1 1 13 13 ILE CG2 C 13 17.453 0.300 . 1 . . . . 13 ILE CG2 . 10296 1 34 . 1 1 13 13 ILE N N 15 123.673 0.300 . 1 . . . . 13 ILE N . 10296 1 35 . 1 1 14 14 PHE H H 1 8.178 0.030 . 1 . . . . 14 PHE H . 10296 1 36 . 1 1 14 14 PHE HA H 1 4.977 0.030 . 1 . . . . 14 PHE HA . 10296 1 37 . 1 1 14 14 PHE HB2 H 1 2.802 0.030 . 2 . . . . 14 PHE HB2 . 10296 1 38 . 1 1 14 14 PHE HB3 H 1 3.203 0.030 . 2 . . . . 14 PHE HB3 . 10296 1 39 . 1 1 14 14 PHE HD1 H 1 7.240 0.030 . 1 . . . . 14 PHE HD1 . 10296 1 40 . 1 1 14 14 PHE HD2 H 1 7.240 0.030 . 1 . . . . 14 PHE HD2 . 10296 1 41 . 1 1 14 14 PHE HE1 H 1 7.279 0.030 . 1 . . . . 14 PHE HE1 . 10296 1 42 . 1 1 14 14 PHE HE2 H 1 7.279 0.030 . 1 . . . . 14 PHE HE2 . 10296 1 43 . 1 1 14 14 PHE HZ H 1 7.460 0.030 . 1 . . . . 14 PHE HZ . 10296 1 44 . 1 1 14 14 PHE C C 13 176.475 0.300 . 1 . . . . 14 PHE C . 10296 1 45 . 1 1 14 14 PHE CA C 13 57.025 0.300 . 1 . . . . 14 PHE CA . 10296 1 46 . 1 1 14 14 PHE CB C 13 41.482 0.300 . 1 . . . . 14 PHE CB . 10296 1 47 . 1 1 14 14 PHE CD1 C 13 131.798 0.300 . 1 . . . . 14 PHE CD1 . 10296 1 48 . 1 1 14 14 PHE CD2 C 13 131.798 0.300 . 1 . . . . 14 PHE CD2 . 10296 1 49 . 1 1 14 14 PHE CE1 C 13 131.270 0.300 . 1 . . . . 14 PHE CE1 . 10296 1 50 . 1 1 14 14 PHE CE2 C 13 131.270 0.300 . 1 . . . . 14 PHE CE2 . 10296 1 51 . 1 1 14 14 PHE CZ C 13 129.413 0.300 . 1 . . . . 14 PHE CZ . 10296 1 52 . 1 1 14 14 PHE N N 15 122.586 0.300 . 1 . . . . 14 PHE N . 10296 1 53 . 1 1 15 15 THR H H 1 8.792 0.030 . 1 . . . . 15 THR H . 10296 1 54 . 1 1 15 15 THR HA H 1 4.462 0.030 . 1 . . . . 15 THR HA . 10296 1 55 . 1 1 15 15 THR HB H 1 4.765 0.030 . 1 . . . . 15 THR HB . 10296 1 56 . 1 1 15 15 THR HG21 H 1 1.307 0.030 . 1 . . . . 15 THR HG2 . 10296 1 57 . 1 1 15 15 THR HG22 H 1 1.307 0.030 . 1 . . . . 15 THR HG2 . 10296 1 58 . 1 1 15 15 THR HG23 H 1 1.307 0.030 . 1 . . . . 15 THR HG2 . 10296 1 59 . 1 1 15 15 THR C C 13 175.261 0.300 . 1 . . . . 15 THR C . 10296 1 60 . 1 1 15 15 THR CA C 13 60.623 0.300 . 1 . . . . 15 THR CA . 10296 1 61 . 1 1 15 15 THR CB C 13 70.645 0.300 . 1 . . . . 15 THR CB . 10296 1 62 . 1 1 15 15 THR CG2 C 13 21.700 0.300 . 1 . . . . 15 THR CG2 . 10296 1 63 . 1 1 15 15 THR N N 15 113.201 0.300 . 1 . . . . 15 THR N . 10296 1 64 . 1 1 16 16 ASP H H 1 9.018 0.030 . 1 . . . . 16 ASP H . 10296 1 65 . 1 1 16 16 ASP HA H 1 4.371 0.030 . 1 . . . . 16 ASP HA . 10296 1 66 . 1 1 16 16 ASP HB2 H 1 2.624 0.030 . 2 . . . . 16 ASP HB2 . 10296 1 67 . 1 1 16 16 ASP HB3 H 1 2.724 0.030 . 2 . . . . 16 ASP HB3 . 10296 1 68 . 1 1 16 16 ASP C C 13 178.806 0.300 . 1 . . . . 16 ASP C . 10296 1 69 . 1 1 16 16 ASP CA C 13 58.163 0.300 . 1 . . . . 16 ASP CA . 10296 1 70 . 1 1 16 16 ASP CB C 13 39.689 0.300 . 1 . . . . 16 ASP CB . 10296 1 71 . 1 1 16 16 ASP N N 15 121.802 0.300 . 1 . . . . 16 ASP N . 10296 1 72 . 1 1 17 17 GLU H H 1 8.785 0.030 . 1 . . . . 17 GLU H . 10296 1 73 . 1 1 17 17 GLU HA H 1 4.054 0.030 . 1 . . . . 17 GLU HA . 10296 1 74 . 1 1 17 17 GLU HB2 H 1 2.084 0.030 . 2 . . . . 17 GLU HB2 . 10296 1 75 . 1 1 17 17 GLU HB3 H 1 1.928 0.030 . 2 . . . . 17 GLU HB3 . 10296 1 76 . 1 1 17 17 GLU HG2 H 1 2.249 0.030 . 2 . . . . 17 GLU HG2 . 10296 1 77 . 1 1 17 17 GLU HG3 H 1 2.307 0.030 . 2 . . . . 17 GLU HG3 . 10296 1 78 . 1 1 17 17 GLU C C 13 180.044 0.300 . 1 . . . . 17 GLU C . 10296 1 79 . 1 1 17 17 GLU CA C 13 59.706 0.300 . 1 . . . . 17 GLU CA . 10296 1 80 . 1 1 17 17 GLU CB C 13 29.520 0.300 . 1 . . . . 17 GLU CB . 10296 1 81 . 1 1 17 17 GLU CG C 13 36.690 0.300 . 1 . . . . 17 GLU CG . 10296 1 82 . 1 1 17 17 GLU N N 15 119.474 0.300 . 1 . . . . 17 GLU N . 10296 1 83 . 1 1 18 18 GLN H H 1 7.700 0.030 . 1 . . . . 18 GLN H . 10296 1 84 . 1 1 18 18 GLN HA H 1 3.665 0.030 . 1 . . . . 18 GLN HA . 10296 1 85 . 1 1 18 18 GLN HB2 H 1 1.587 0.030 . 2 . . . . 18 GLN HB2 . 10296 1 86 . 1 1 18 18 GLN HB3 H 1 2.695 0.030 . 2 . . . . 18 GLN HB3 . 10296 1 87 . 1 1 18 18 GLN HE21 H 1 7.603 0.030 . 2 . . . . 18 GLN HE21 . 10296 1 88 . 1 1 18 18 GLN HE22 H 1 6.762 0.030 . 2 . . . . 18 GLN HE22 . 10296 1 89 . 1 1 18 18 GLN HG2 H 1 2.673 0.030 . 2 . . . . 18 GLN HG2 . 10296 1 90 . 1 1 18 18 GLN HG3 H 1 2.367 0.030 . 2 . . . . 18 GLN HG3 . 10296 1 91 . 1 1 18 18 GLN C C 13 177.009 0.300 . 1 . . . . 18 GLN C . 10296 1 92 . 1 1 18 18 GLN CA C 13 59.354 0.300 . 1 . . . . 18 GLN CA . 10296 1 93 . 1 1 18 18 GLN CB C 13 27.377 0.300 . 1 . . . . 18 GLN CB . 10296 1 94 . 1 1 18 18 GLN CG C 13 34.628 0.300 . 1 . . . . 18 GLN CG . 10296 1 95 . 1 1 18 18 GLN N N 15 119.784 0.300 . 1 . . . . 18 GLN N . 10296 1 96 . 1 1 18 18 GLN NE2 N 15 109.661 0.300 . 1 . . . . 18 GLN NE2 . 10296 1 97 . 1 1 19 19 LEU H H 1 8.383 0.030 . 1 . . . . 19 LEU H . 10296 1 98 . 1 1 19 19 LEU HA H 1 3.585 0.030 . 1 . . . . 19 LEU HA . 10296 1 99 . 1 1 19 19 LEU HB2 H 1 1.543 0.030 . 2 . . . . 19 LEU HB2 . 10296 1 100 . 1 1 19 19 LEU HB3 H 1 1.781 0.030 . 2 . . . . 19 LEU HB3 . 10296 1 101 . 1 1 19 19 LEU HD11 H 1 0.953 0.030 . 1 . . . . 19 LEU HD1 . 10296 1 102 . 1 1 19 19 LEU HD12 H 1 0.953 0.030 . 1 . . . . 19 LEU HD1 . 10296 1 103 . 1 1 19 19 LEU HD13 H 1 0.953 0.030 . 1 . . . . 19 LEU HD1 . 10296 1 104 . 1 1 19 19 LEU HD21 H 1 0.792 0.030 . 1 . . . . 19 LEU HD2 . 10296 1 105 . 1 1 19 19 LEU HD22 H 1 0.792 0.030 . 1 . . . . 19 LEU HD2 . 10296 1 106 . 1 1 19 19 LEU HD23 H 1 0.792 0.030 . 1 . . . . 19 LEU HD2 . 10296 1 107 . 1 1 19 19 LEU HG H 1 1.682 0.030 . 1 . . . . 19 LEU HG . 10296 1 108 . 1 1 19 19 LEU C C 13 178.830 0.300 . 1 . . . . 19 LEU C . 10296 1 109 . 1 1 19 19 LEU CA C 13 57.908 0.300 . 1 . . . . 19 LEU CA . 10296 1 110 . 1 1 19 19 LEU CB C 13 41.703 0.300 . 1 . . . . 19 LEU CB . 10296 1 111 . 1 1 19 19 LEU CD1 C 13 25.170 0.300 . 2 . . . . 19 LEU CD1 . 10296 1 112 . 1 1 19 19 LEU CD2 C 13 23.543 0.300 . 2 . . . . 19 LEU CD2 . 10296 1 113 . 1 1 19 19 LEU CG C 13 26.967 0.300 . 1 . . . . 19 LEU CG . 10296 1 114 . 1 1 19 19 LEU N N 15 117.889 0.300 . 1 . . . . 19 LEU N . 10296 1 115 . 1 1 20 20 GLU H H 1 8.119 0.030 . 1 . . . . 20 GLU H . 10296 1 116 . 1 1 20 20 GLU HA H 1 3.897 0.030 . 1 . . . . 20 GLU HA . 10296 1 117 . 1 1 20 20 GLU HB2 H 1 1.956 0.030 . 2 . . . . 20 GLU HB2 . 10296 1 118 . 1 1 20 20 GLU HB3 H 1 2.025 0.030 . 2 . . . . 20 GLU HB3 . 10296 1 119 . 1 1 20 20 GLU HG2 H 1 2.154 0.030 . 2 . . . . 20 GLU HG2 . 10296 1 120 . 1 1 20 20 GLU HG3 H 1 2.297 0.030 . 2 . . . . 20 GLU HG3 . 10296 1 121 . 1 1 20 20 GLU C C 13 178.126 0.300 . 1 . . . . 20 GLU C . 10296 1 122 . 1 1 20 20 GLU CA C 13 59.248 0.300 . 1 . . . . 20 GLU CA . 10296 1 123 . 1 1 20 20 GLU CB C 13 29.697 0.300 . 1 . . . . 20 GLU CB . 10296 1 124 . 1 1 20 20 GLU CG C 13 36.173 0.300 . 1 . . . . 20 GLU CG . 10296 1 125 . 1 1 20 20 GLU N N 15 118.697 0.300 . 1 . . . . 20 GLU N . 10296 1 126 . 1 1 21 21 ALA H H 1 7.309 0.030 . 1 . . . . 21 ALA H . 10296 1 127 . 1 1 21 21 ALA HA H 1 4.057 0.030 . 1 . . . . 21 ALA HA . 10296 1 128 . 1 1 21 21 ALA HB1 H 1 1.419 0.030 . 1 . . . . 21 ALA HB . 10296 1 129 . 1 1 21 21 ALA HB2 H 1 1.419 0.030 . 1 . . . . 21 ALA HB . 10296 1 130 . 1 1 21 21 ALA HB3 H 1 1.419 0.030 . 1 . . . . 21 ALA HB . 10296 1 131 . 1 1 21 21 ALA C C 13 180.773 0.300 . 1 . . . . 21 ALA C . 10296 1 132 . 1 1 21 21 ALA CA C 13 54.947 0.300 . 1 . . . . 21 ALA CA . 10296 1 133 . 1 1 21 21 ALA CB C 13 18.888 0.300 . 1 . . . . 21 ALA CB . 10296 1 134 . 1 1 21 21 ALA N N 15 120.540 0.300 . 1 . . . . 21 ALA N . 10296 1 135 . 1 1 22 22 LEU H H 1 8.070 0.030 . 1 . . . . 22 LEU H . 10296 1 136 . 1 1 22 22 LEU HA H 1 3.428 0.030 . 1 . . . . 22 LEU HA . 10296 1 137 . 1 1 22 22 LEU HB2 H 1 -1.292 0.030 . 2 . . . . 22 LEU HB2 . 10296 1 138 . 1 1 22 22 LEU HB3 H 1 0.531 0.030 . 2 . . . . 22 LEU HB3 . 10296 1 139 . 1 1 22 22 LEU HD11 H 1 -0.727 0.030 . 1 . . . . 22 LEU HD1 . 10296 1 140 . 1 1 22 22 LEU HD12 H 1 -0.727 0.030 . 1 . . . . 22 LEU HD1 . 10296 1 141 . 1 1 22 22 LEU HD13 H 1 -0.727 0.030 . 1 . . . . 22 LEU HD1 . 10296 1 142 . 1 1 22 22 LEU HD21 H 1 0.457 0.030 . 1 . . . . 22 LEU HD2 . 10296 1 143 . 1 1 22 22 LEU HD22 H 1 0.457 0.030 . 1 . . . . 22 LEU HD2 . 10296 1 144 . 1 1 22 22 LEU HD23 H 1 0.457 0.030 . 1 . . . . 22 LEU HD2 . 10296 1 145 . 1 1 22 22 LEU HG H 1 1.077 0.030 . 1 . . . . 22 LEU HG . 10296 1 146 . 1 1 22 22 LEU C C 13 177.131 0.300 . 1 . . . . 22 LEU C . 10296 1 147 . 1 1 22 22 LEU CA C 13 58.408 0.300 . 1 . . . . 22 LEU CA . 10296 1 148 . 1 1 22 22 LEU CB C 13 38.173 0.300 . 1 . . . . 22 LEU CB . 10296 1 149 . 1 1 22 22 LEU CD1 C 13 23.750 0.300 . 2 . . . . 22 LEU CD1 . 10296 1 150 . 1 1 22 22 LEU CD2 C 13 24.383 0.300 . 2 . . . . 22 LEU CD2 . 10296 1 151 . 1 1 22 22 LEU CG C 13 26.223 0.300 . 1 . . . . 22 LEU CG . 10296 1 152 . 1 1 22 22 LEU N N 15 121.563 0.300 . 1 . . . . 22 LEU N . 10296 1 153 . 1 1 23 23 GLU H H 1 7.997 0.030 . 1 . . . . 23 GLU H . 10296 1 154 . 1 1 23 23 GLU HA H 1 4.289 0.030 . 1 . . . . 23 GLU HA . 10296 1 155 . 1 1 23 23 GLU HB2 H 1 1.945 0.030 . 2 . . . . 23 GLU HB2 . 10296 1 156 . 1 1 23 23 GLU HB3 H 1 2.066 0.030 . 2 . . . . 23 GLU HB3 . 10296 1 157 . 1 1 23 23 GLU HG2 H 1 2.328 0.030 . 2 . . . . 23 GLU HG2 . 10296 1 158 . 1 1 23 23 GLU HG3 H 1 2.453 0.030 . 2 . . . . 23 GLU HG3 . 10296 1 159 . 1 1 23 23 GLU C C 13 179.510 0.300 . 1 . . . . 23 GLU C . 10296 1 160 . 1 1 23 23 GLU CA C 13 58.734 0.300 . 1 . . . . 23 GLU CA . 10296 1 161 . 1 1 23 23 GLU CB C 13 28.879 0.300 . 1 . . . . 23 GLU CB . 10296 1 162 . 1 1 23 23 GLU CG C 13 34.712 0.300 . 1 . . . . 23 GLU CG . 10296 1 163 . 1 1 23 23 GLU N N 15 118.641 0.300 . 1 . . . . 23 GLU N . 10296 1 164 . 1 1 24 24 ASN H H 1 8.282 0.030 . 1 . . . . 24 ASN H . 10296 1 165 . 1 1 24 24 ASN HA H 1 4.443 0.030 . 1 . . . . 24 ASN HA . 10296 1 166 . 1 1 24 24 ASN HB2 H 1 2.738 0.030 . 2 . . . . 24 ASN HB2 . 10296 1 167 . 1 1 24 24 ASN HB3 H 1 2.890 0.030 . 2 . . . . 24 ASN HB3 . 10296 1 168 . 1 1 24 24 ASN HD21 H 1 7.527 0.030 . 2 . . . . 24 ASN HD21 . 10296 1 169 . 1 1 24 24 ASN HD22 H 1 6.966 0.030 . 2 . . . . 24 ASN HD22 . 10296 1 170 . 1 1 24 24 ASN C C 13 178.563 0.300 . 1 . . . . 24 ASN C . 10296 1 171 . 1 1 24 24 ASN CA C 13 56.145 0.300 . 1 . . . . 24 ASN CA . 10296 1 172 . 1 1 24 24 ASN CB C 13 38.055 0.300 . 1 . . . . 24 ASN CB . 10296 1 173 . 1 1 24 24 ASN N N 15 117.495 0.300 . 1 . . . . 24 ASN N . 10296 1 174 . 1 1 24 24 ASN ND2 N 15 111.907 0.300 . 1 . . . . 24 ASN ND2 . 10296 1 175 . 1 1 25 25 LEU H H 1 7.852 0.030 . 1 . . . . 25 LEU H . 10296 1 176 . 1 1 25 25 LEU HA H 1 4.445 0.030 . 1 . . . . 25 LEU HA . 10296 1 177 . 1 1 25 25 LEU HB2 H 1 1.610 0.030 . 2 . . . . 25 LEU HB2 . 10296 1 178 . 1 1 25 25 LEU HB3 H 1 2.252 0.030 . 2 . . . . 25 LEU HB3 . 10296 1 179 . 1 1 25 25 LEU HD11 H 1 0.989 0.030 . 1 . . . . 25 LEU HD1 . 10296 1 180 . 1 1 25 25 LEU HD12 H 1 0.989 0.030 . 1 . . . . 25 LEU HD1 . 10296 1 181 . 1 1 25 25 LEU HD13 H 1 0.989 0.030 . 1 . . . . 25 LEU HD1 . 10296 1 182 . 1 1 25 25 LEU HD21 H 1 0.823 0.030 . 1 . . . . 25 LEU HD2 . 10296 1 183 . 1 1 25 25 LEU HD22 H 1 0.823 0.030 . 1 . . . . 25 LEU HD2 . 10296 1 184 . 1 1 25 25 LEU HD23 H 1 0.823 0.030 . 1 . . . . 25 LEU HD2 . 10296 1 185 . 1 1 25 25 LEU HG H 1 1.779 0.030 . 1 . . . . 25 LEU HG . 10296 1 186 . 1 1 25 25 LEU C C 13 177.276 0.300 . 1 . . . . 25 LEU C . 10296 1 187 . 1 1 25 25 LEU CA C 13 57.963 0.300 . 1 . . . . 25 LEU CA . 10296 1 188 . 1 1 25 25 LEU CB C 13 40.400 0.300 . 1 . . . . 25 LEU CB . 10296 1 189 . 1 1 25 25 LEU CD1 C 13 23.025 0.300 . 2 . . . . 25 LEU CD1 . 10296 1 190 . 1 1 25 25 LEU CD2 C 13 26.590 0.300 . 2 . . . . 25 LEU CD2 . 10296 1 191 . 1 1 25 25 LEU CG C 13 27.313 0.300 . 1 . . . . 25 LEU CG . 10296 1 192 . 1 1 25 25 LEU N N 15 121.261 0.300 . 1 . . . . 25 LEU N . 10296 1 193 . 1 1 26 26 PHE H H 1 8.711 0.030 . 1 . . . . 26 PHE H . 10296 1 194 . 1 1 26 26 PHE HA H 1 4.628 0.030 . 1 . . . . 26 PHE HA . 10296 1 195 . 1 1 26 26 PHE HB2 H 1 3.189 0.030 . 2 . . . . 26 PHE HB2 . 10296 1 196 . 1 1 26 26 PHE HB3 H 1 3.251 0.030 . 2 . . . . 26 PHE HB3 . 10296 1 197 . 1 1 26 26 PHE HD1 H 1 7.146 0.030 . 1 . . . . 26 PHE HD1 . 10296 1 198 . 1 1 26 26 PHE HD2 H 1 7.146 0.030 . 1 . . . . 26 PHE HD2 . 10296 1 199 . 1 1 26 26 PHE HE1 H 1 6.886 0.030 . 1 . . . . 26 PHE HE1 . 10296 1 200 . 1 1 26 26 PHE HE2 H 1 6.886 0.030 . 1 . . . . 26 PHE HE2 . 10296 1 201 . 1 1 26 26 PHE HZ H 1 6.462 0.030 . 1 . . . . 26 PHE HZ . 10296 1 202 . 1 1 26 26 PHE C C 13 176.232 0.300 . 1 . . . . 26 PHE C . 10296 1 203 . 1 1 26 26 PHE CA C 13 61.011 0.300 . 1 . . . . 26 PHE CA . 10296 1 204 . 1 1 26 26 PHE CB C 13 38.906 0.300 . 1 . . . . 26 PHE CB . 10296 1 205 . 1 1 26 26 PHE CD1 C 13 132.307 0.300 . 1 . . . . 26 PHE CD1 . 10296 1 206 . 1 1 26 26 PHE CD2 C 13 132.307 0.300 . 1 . . . . 26 PHE CD2 . 10296 1 207 . 1 1 26 26 PHE CE1 C 13 130.289 0.300 . 1 . . . . 26 PHE CE1 . 10296 1 208 . 1 1 26 26 PHE CE2 C 13 130.289 0.300 . 1 . . . . 26 PHE CE2 . 10296 1 209 . 1 1 26 26 PHE CZ C 13 128.659 0.300 . 1 . . . . 26 PHE CZ . 10296 1 210 . 1 1 26 26 PHE N N 15 120.816 0.300 . 1 . . . . 26 PHE N . 10296 1 211 . 1 1 27 27 GLN H H 1 8.007 0.030 . 1 . . . . 27 GLN H . 10296 1 212 . 1 1 27 27 GLN HA H 1 3.665 0.030 . 1 . . . . 27 GLN HA . 10296 1 213 . 1 1 27 27 GLN HB2 H 1 2.164 0.030 . 2 . . . . 27 GLN HB2 . 10296 1 214 . 1 1 27 27 GLN HB3 H 1 2.218 0.030 . 2 . . . . 27 GLN HB3 . 10296 1 215 . 1 1 27 27 GLN HE21 H 1 7.856 0.030 . 2 . . . . 27 GLN HE21 . 10296 1 216 . 1 1 27 27 GLN HE22 H 1 6.957 0.030 . 2 . . . . 27 GLN HE22 . 10296 1 217 . 1 1 27 27 GLN HG2 H 1 2.701 0.030 . 2 . . . . 27 GLN HG2 . 10296 1 218 . 1 1 27 27 GLN HG3 H 1 2.621 0.030 . 2 . . . . 27 GLN HG3 . 10296 1 219 . 1 1 27 27 GLN C C 13 177.106 0.300 . 1 . . . . 27 GLN C . 10296 1 220 . 1 1 27 27 GLN CA C 13 57.892 0.300 . 1 . . . . 27 GLN CA . 10296 1 221 . 1 1 27 27 GLN CB C 13 28.195 0.300 . 1 . . . . 27 GLN CB . 10296 1 222 . 1 1 27 27 GLN CG C 13 33.771 0.300 . 1 . . . . 27 GLN CG . 10296 1 223 . 1 1 27 27 GLN N N 15 114.037 0.300 . 1 . . . . 27 GLN N . 10296 1 224 . 1 1 27 27 GLN NE2 N 15 113.613 0.300 . 1 . . . . 27 GLN NE2 . 10296 1 225 . 1 1 28 28 GLU H H 1 7.467 0.030 . 1 . . . . 28 GLU H . 10296 1 226 . 1 1 28 28 GLU HA H 1 4.190 0.030 . 1 . . . . 28 GLU HA . 10296 1 227 . 1 1 28 28 GLU HB2 H 1 2.182 0.030 . 1 . . . . 28 GLU HB2 . 10296 1 228 . 1 1 28 28 GLU HB3 H 1 2.182 0.030 . 1 . . . . 28 GLU HB3 . 10296 1 229 . 1 1 28 28 GLU HG2 H 1 2.373 0.030 . 2 . . . . 28 GLU HG2 . 10296 1 230 . 1 1 28 28 GLU HG3 H 1 2.190 0.030 . 2 . . . . 28 GLU HG3 . 10296 1 231 . 1 1 28 28 GLU C C 13 177.106 0.300 . 1 . . . . 28 GLU C . 10296 1 232 . 1 1 28 28 GLU CA C 13 58.138 0.300 . 1 . . . . 28 GLU CA . 10296 1 233 . 1 1 28 28 GLU CB C 13 30.756 0.300 . 1 . . . . 28 GLU CB . 10296 1 234 . 1 1 28 28 GLU CG C 13 35.997 0.300 . 1 . . . . 28 GLU CG . 10296 1 235 . 1 1 28 28 GLU N N 15 119.193 0.300 . 1 . . . . 28 GLU N . 10296 1 236 . 1 1 29 29 THR H H 1 8.971 0.030 . 1 . . . . 29 THR H . 10296 1 237 . 1 1 29 29 THR HA H 1 4.321 0.030 . 1 . . . . 29 THR HA . 10296 1 238 . 1 1 29 29 THR HB H 1 4.055 0.030 . 1 . . . . 29 THR HB . 10296 1 239 . 1 1 29 29 THR HG21 H 1 1.002 0.030 . 1 . . . . 29 THR HG2 . 10296 1 240 . 1 1 29 29 THR HG22 H 1 1.002 0.030 . 1 . . . . 29 THR HG2 . 10296 1 241 . 1 1 29 29 THR HG23 H 1 1.002 0.030 . 1 . . . . 29 THR HG2 . 10296 1 242 . 1 1 29 29 THR C C 13 170.526 0.300 . 1 . . . . 29 THR C . 10296 1 243 . 1 1 29 29 THR CA C 13 59.885 0.300 . 1 . . . . 29 THR CA . 10296 1 244 . 1 1 29 29 THR CB C 13 69.656 0.300 . 1 . . . . 29 THR CB . 10296 1 245 . 1 1 29 29 THR CG2 C 13 19.902 0.300 . 1 . . . . 29 THR CG2 . 10296 1 246 . 1 1 29 29 THR N N 15 116.904 0.300 . 1 . . . . 29 THR N . 10296 1 247 . 1 1 30 30 LYS H H 1 7.942 0.030 . 1 . . . . 30 LYS H . 10296 1 248 . 1 1 30 30 LYS HA H 1 3.765 0.030 . 1 . . . . 30 LYS HA . 10296 1 249 . 1 1 30 30 LYS HB2 H 1 0.919 0.030 . 2 . . . . 30 LYS HB2 . 10296 1 250 . 1 1 30 30 LYS HB3 H 1 1.345 0.030 . 2 . . . . 30 LYS HB3 . 10296 1 251 . 1 1 30 30 LYS HD2 H 1 0.084 0.030 . 1 . . . . 30 LYS HD2 . 10296 1 252 . 1 1 30 30 LYS HD3 H 1 0.084 0.030 . 1 . . . . 30 LYS HD3 . 10296 1 253 . 1 1 30 30 LYS HE2 H 1 1.885 0.030 . 2 . . . . 30 LYS HE2 . 10296 1 254 . 1 1 30 30 LYS HE3 H 1 1.610 0.030 . 2 . . . . 30 LYS HE3 . 10296 1 255 . 1 1 30 30 LYS HG2 H 1 0.097 0.030 . 2 . . . . 30 LYS HG2 . 10296 1 256 . 1 1 30 30 LYS HG3 H 1 0.734 0.030 . 2 . . . . 30 LYS HG3 . 10296 1 257 . 1 1 30 30 LYS C C 13 175.844 0.300 . 1 . . . . 30 LYS C . 10296 1 258 . 1 1 30 30 LYS CA C 13 56.583 0.300 . 1 . . . . 30 LYS CA . 10296 1 259 . 1 1 30 30 LYS CB C 13 32.421 0.300 . 1 . . . . 30 LYS CB . 10296 1 260 . 1 1 30 30 LYS CD C 13 27.728 0.300 . 1 . . . . 30 LYS CD . 10296 1 261 . 1 1 30 30 LYS CE C 13 41.338 0.300 . 1 . . . . 30 LYS CE . 10296 1 262 . 1 1 30 30 LYS CG C 13 24.246 0.300 . 1 . . . . 30 LYS CG . 10296 1 263 . 1 1 30 30 LYS N N 15 123.132 0.300 . 1 . . . . 30 LYS N . 10296 1 264 . 1 1 31 31 TYR H H 1 7.788 0.030 . 1 . . . . 31 TYR H . 10296 1 265 . 1 1 31 31 TYR HA H 1 4.608 0.030 . 1 . . . . 31 TYR HA . 10296 1 266 . 1 1 31 31 TYR HB2 H 1 2.993 0.030 . 2 . . . . 31 TYR HB2 . 10296 1 267 . 1 1 31 31 TYR HB3 H 1 2.613 0.030 . 2 . . . . 31 TYR HB3 . 10296 1 268 . 1 1 31 31 TYR HD1 H 1 7.052 0.030 . 1 . . . . 31 TYR HD1 . 10296 1 269 . 1 1 31 31 TYR HD2 H 1 7.052 0.030 . 1 . . . . 31 TYR HD2 . 10296 1 270 . 1 1 31 31 TYR HE1 H 1 6.829 0.030 . 1 . . . . 31 TYR HE1 . 10296 1 271 . 1 1 31 31 TYR HE2 H 1 6.829 0.030 . 1 . . . . 31 TYR HE2 . 10296 1 272 . 1 1 31 31 TYR C C 13 172.687 0.300 . 1 . . . . 31 TYR C . 10296 1 273 . 1 1 31 31 TYR CA C 13 54.864 0.300 . 1 . . . . 31 TYR CA . 10296 1 274 . 1 1 31 31 TYR CB C 13 38.777 0.300 . 1 . . . . 31 TYR CB . 10296 1 275 . 1 1 31 31 TYR CD1 C 13 133.685 0.300 . 1 . . . . 31 TYR CD1 . 10296 1 276 . 1 1 31 31 TYR CD2 C 13 133.685 0.300 . 1 . . . . 31 TYR CD2 . 10296 1 277 . 1 1 31 31 TYR CE1 C 13 118.160 0.300 . 1 . . . . 31 TYR CE1 . 10296 1 278 . 1 1 31 31 TYR CE2 C 13 118.160 0.300 . 1 . . . . 31 TYR CE2 . 10296 1 279 . 1 1 31 31 TYR N N 15 113.626 0.300 . 1 . . . . 31 TYR N . 10296 1 280 . 1 1 32 32 PRO HA H 1 4.399 0.030 . 1 . . . . 32 PRO HA . 10296 1 281 . 1 1 32 32 PRO HB2 H 1 1.624 0.030 . 2 . . . . 32 PRO HB2 . 10296 1 282 . 1 1 32 32 PRO HB3 H 1 1.484 0.030 . 2 . . . . 32 PRO HB3 . 10296 1 283 . 1 1 32 32 PRO HD2 H 1 3.029 0.030 . 1 . . . . 32 PRO HD2 . 10296 1 284 . 1 1 32 32 PRO HD3 H 1 3.029 0.030 . 1 . . . . 32 PRO HD3 . 10296 1 285 . 1 1 32 32 PRO HG2 H 1 1.042 0.030 . 2 . . . . 32 PRO HG2 . 10296 1 286 . 1 1 32 32 PRO HG3 H 1 0.286 0.030 . 2 . . . . 32 PRO HG3 . 10296 1 287 . 1 1 32 32 PRO C C 13 177.203 0.300 . 1 . . . . 32 PRO C . 10296 1 288 . 1 1 32 32 PRO CA C 13 62.668 0.300 . 1 . . . . 32 PRO CA . 10296 1 289 . 1 1 32 32 PRO CB C 13 31.394 0.300 . 1 . . . . 32 PRO CB . 10296 1 290 . 1 1 32 32 PRO CD C 13 50.586 0.300 . 1 . . . . 32 PRO CD . 10296 1 291 . 1 1 32 32 PRO CG C 13 25.827 0.300 . 1 . . . . 32 PRO CG . 10296 1 292 . 1 1 33 33 ASP H H 1 8.548 0.030 . 1 . . . . 33 ASP H . 10296 1 293 . 1 1 33 33 ASP HA H 1 4.473 0.030 . 1 . . . . 33 ASP HA . 10296 1 294 . 1 1 33 33 ASP HB2 H 1 2.817 0.030 . 2 . . . . 33 ASP HB2 . 10296 1 295 . 1 1 33 33 ASP HB3 H 1 3.147 0.030 . 2 . . . . 33 ASP HB3 . 10296 1 296 . 1 1 33 33 ASP C C 13 175.989 0.300 . 1 . . . . 33 ASP C . 10296 1 297 . 1 1 33 33 ASP CA C 13 52.775 0.300 . 1 . . . . 33 ASP CA . 10296 1 298 . 1 1 33 33 ASP CB C 13 41.295 0.300 . 1 . . . . 33 ASP CB . 10296 1 299 . 1 1 33 33 ASP N N 15 123.152 0.300 . 1 . . . . 33 ASP N . 10296 1 300 . 1 1 34 34 VAL H H 1 8.493 0.030 . 1 . . . . 34 VAL H . 10296 1 301 . 1 1 34 34 VAL HA H 1 3.522 0.030 . 1 . . . . 34 VAL HA . 10296 1 302 . 1 1 34 34 VAL HB H 1 2.036 0.030 . 1 . . . . 34 VAL HB . 10296 1 303 . 1 1 34 34 VAL HG11 H 1 0.960 0.030 . 1 . . . . 34 VAL HG1 . 10296 1 304 . 1 1 34 34 VAL HG12 H 1 0.960 0.030 . 1 . . . . 34 VAL HG1 . 10296 1 305 . 1 1 34 34 VAL HG13 H 1 0.960 0.030 . 1 . . . . 34 VAL HG1 . 10296 1 306 . 1 1 34 34 VAL HG21 H 1 1.015 0.030 . 1 . . . . 34 VAL HG2 . 10296 1 307 . 1 1 34 34 VAL HG22 H 1 1.015 0.030 . 1 . . . . 34 VAL HG2 . 10296 1 308 . 1 1 34 34 VAL HG23 H 1 1.015 0.030 . 1 . . . . 34 VAL HG2 . 10296 1 309 . 1 1 34 34 VAL C C 13 177.203 0.300 . 1 . . . . 34 VAL C . 10296 1 310 . 1 1 34 34 VAL CA C 13 66.618 0.300 . 1 . . . . 34 VAL CA . 10296 1 311 . 1 1 34 34 VAL CB C 13 31.697 0.300 . 1 . . . . 34 VAL CB . 10296 1 312 . 1 1 34 34 VAL CG1 C 13 19.968 0.300 . 2 . . . . 34 VAL CG1 . 10296 1 313 . 1 1 34 34 VAL CG2 C 13 22.055 0.300 . 2 . . . . 34 VAL CG2 . 10296 1 314 . 1 1 34 34 VAL N N 15 119.474 0.300 . 1 . . . . 34 VAL N . 10296 1 315 . 1 1 35 35 GLY H H 1 8.389 0.030 . 1 . . . . 35 GLY H . 10296 1 316 . 1 1 35 35 GLY HA2 H 1 3.901 0.030 . 1 . . . . 35 GLY HA2 . 10296 1 317 . 1 1 35 35 GLY HA3 H 1 3.901 0.030 . 1 . . . . 35 GLY HA3 . 10296 1 318 . 1 1 35 35 GLY C C 13 176.985 0.300 . 1 . . . . 35 GLY C . 10296 1 319 . 1 1 35 35 GLY CA C 13 46.976 0.300 . 1 . . . . 35 GLY CA . 10296 1 320 . 1 1 35 35 GLY N N 15 109.478 0.300 . 1 . . . . 35 GLY N . 10296 1 321 . 1 1 36 36 THR H H 1 8.142 0.030 . 1 . . . . 36 THR H . 10296 1 322 . 1 1 36 36 THR HA H 1 3.918 0.030 . 1 . . . . 36 THR HA . 10296 1 323 . 1 1 36 36 THR HB H 1 4.127 0.030 . 1 . . . . 36 THR HB . 10296 1 324 . 1 1 36 36 THR HG21 H 1 1.183 0.030 . 1 . . . . 36 THR HG2 . 10296 1 325 . 1 1 36 36 THR HG22 H 1 1.183 0.030 . 1 . . . . 36 THR HG2 . 10296 1 326 . 1 1 36 36 THR HG23 H 1 1.183 0.030 . 1 . . . . 36 THR HG2 . 10296 1 327 . 1 1 36 36 THR C C 13 177.616 0.300 . 1 . . . . 36 THR C . 10296 1 328 . 1 1 36 36 THR CA C 13 66.957 0.300 . 1 . . . . 36 THR CA . 10296 1 329 . 1 1 36 36 THR CB C 13 67.887 0.300 . 1 . . . . 36 THR CB . 10296 1 330 . 1 1 36 36 THR CG2 C 13 22.304 0.300 . 1 . . . . 36 THR CG2 . 10296 1 331 . 1 1 36 36 THR N N 15 121.210 0.300 . 1 . . . . 36 THR N . 10296 1 332 . 1 1 37 37 ARG H H 1 8.396 0.030 . 1 . . . . 37 ARG H . 10296 1 333 . 1 1 37 37 ARG HA H 1 3.712 0.030 . 1 . . . . 37 ARG HA . 10296 1 334 . 1 1 37 37 ARG HB2 H 1 1.668 0.030 . 2 . . . . 37 ARG HB2 . 10296 1 335 . 1 1 37 37 ARG HB3 H 1 2.219 0.030 . 2 . . . . 37 ARG HB3 . 10296 1 336 . 1 1 37 37 ARG HD2 H 1 2.855 0.030 . 2 . . . . 37 ARG HD2 . 10296 1 337 . 1 1 37 37 ARG HD3 H 1 3.256 0.030 . 2 . . . . 37 ARG HD3 . 10296 1 338 . 1 1 37 37 ARG HE H 1 8.175 0.030 . 1 . . . . 37 ARG HE . 10296 1 339 . 1 1 37 37 ARG HG2 H 1 0.681 0.030 . 2 . . . . 37 ARG HG2 . 10296 1 340 . 1 1 37 37 ARG HG3 H 1 1.831 0.030 . 2 . . . . 37 ARG HG3 . 10296 1 341 . 1 1 37 37 ARG C C 13 177.980 0.300 . 1 . . . . 37 ARG C . 10296 1 342 . 1 1 37 37 ARG CA C 13 61.187 0.300 . 1 . . . . 37 ARG CA . 10296 1 343 . 1 1 37 37 ARG CB C 13 31.250 0.300 . 1 . . . . 37 ARG CB . 10296 1 344 . 1 1 37 37 ARG CD C 13 43.812 0.300 . 1 . . . . 37 ARG CD . 10296 1 345 . 1 1 37 37 ARG CG C 13 29.544 0.300 . 1 . . . . 37 ARG CG . 10296 1 346 . 1 1 37 37 ARG N N 15 121.196 0.300 . 1 . . . . 37 ARG N . 10296 1 347 . 1 1 37 37 ARG NE N 15 93.196 0.300 . 1 . . . . 37 ARG NE . 10296 1 348 . 1 1 38 38 GLU H H 1 8.843 0.030 . 1 . . . . 38 GLU H . 10296 1 349 . 1 1 38 38 GLU HA H 1 3.905 0.030 . 1 . . . . 38 GLU HA . 10296 1 350 . 1 1 38 38 GLU HB2 H 1 2.247 0.030 . 2 . . . . 38 GLU HB2 . 10296 1 351 . 1 1 38 38 GLU HB3 H 1 2.098 0.030 . 2 . . . . 38 GLU HB3 . 10296 1 352 . 1 1 38 38 GLU HG2 H 1 2.483 0.030 . 2 . . . . 38 GLU HG2 . 10296 1 353 . 1 1 38 38 GLU HG3 H 1 2.188 0.030 . 2 . . . . 38 GLU HG3 . 10296 1 354 . 1 1 38 38 GLU C C 13 178.636 0.300 . 1 . . . . 38 GLU C . 10296 1 355 . 1 1 38 38 GLU CA C 13 59.797 0.300 . 1 . . . . 38 GLU CA . 10296 1 356 . 1 1 38 38 GLU CB C 13 29.529 0.300 . 1 . . . . 38 GLU CB . 10296 1 357 . 1 1 38 38 GLU CG C 13 36.529 0.300 . 1 . . . . 38 GLU CG . 10296 1 358 . 1 1 38 38 GLU N N 15 119.875 0.300 . 1 . . . . 38 GLU N . 10296 1 359 . 1 1 39 39 GLN H H 1 7.939 0.030 . 1 . . . . 39 GLN H . 10296 1 360 . 1 1 39 39 GLN HA H 1 3.977 0.030 . 1 . . . . 39 GLN HA . 10296 1 361 . 1 1 39 39 GLN HB2 H 1 2.162 0.030 . 2 . . . . 39 GLN HB2 . 10296 1 362 . 1 1 39 39 GLN HB3 H 1 2.202 0.030 . 2 . . . . 39 GLN HB3 . 10296 1 363 . 1 1 39 39 GLN HE21 H 1 7.475 0.030 . 2 . . . . 39 GLN HE21 . 10296 1 364 . 1 1 39 39 GLN HE22 H 1 6.881 0.030 . 2 . . . . 39 GLN HE22 . 10296 1 365 . 1 1 39 39 GLN HG2 H 1 2.414 0.030 . 2 . . . . 39 GLN HG2 . 10296 1 366 . 1 1 39 39 GLN HG3 H 1 2.552 0.030 . 2 . . . . 39 GLN HG3 . 10296 1 367 . 1 1 39 39 GLN C C 13 178.782 0.300 . 1 . . . . 39 GLN C . 10296 1 368 . 1 1 39 39 GLN CA C 13 59.078 0.300 . 1 . . . . 39 GLN CA . 10296 1 369 . 1 1 39 39 GLN CB C 13 28.426 0.300 . 1 . . . . 39 GLN CB . 10296 1 370 . 1 1 39 39 GLN CG C 13 34.059 0.300 . 1 . . . . 39 GLN CG . 10296 1 371 . 1 1 39 39 GLN N N 15 118.456 0.300 . 1 . . . . 39 GLN N . 10296 1 372 . 1 1 39 39 GLN NE2 N 15 112.133 0.300 . 1 . . . . 39 GLN NE2 . 10296 1 373 . 1 1 40 40 LEU H H 1 7.515 0.030 . 1 . . . . 40 LEU H . 10296 1 374 . 1 1 40 40 LEU HA H 1 4.129 0.030 . 1 . . . . 40 LEU HA . 10296 1 375 . 1 1 40 40 LEU HB2 H 1 1.772 0.030 . 1 . . . . 40 LEU HB2 . 10296 1 376 . 1 1 40 40 LEU HB3 H 1 1.772 0.030 . 1 . . . . 40 LEU HB3 . 10296 1 377 . 1 1 40 40 LEU HD11 H 1 0.888 0.030 . 1 . . . . 40 LEU HD1 . 10296 1 378 . 1 1 40 40 LEU HD12 H 1 0.888 0.030 . 1 . . . . 40 LEU HD1 . 10296 1 379 . 1 1 40 40 LEU HD13 H 1 0.888 0.030 . 1 . . . . 40 LEU HD1 . 10296 1 380 . 1 1 40 40 LEU HD21 H 1 0.818 0.030 . 1 . . . . 40 LEU HD2 . 10296 1 381 . 1 1 40 40 LEU HD22 H 1 0.818 0.030 . 1 . . . . 40 LEU HD2 . 10296 1 382 . 1 1 40 40 LEU HD23 H 1 0.818 0.030 . 1 . . . . 40 LEU HD2 . 10296 1 383 . 1 1 40 40 LEU HG H 1 1.597 0.030 . 1 . . . . 40 LEU HG . 10296 1 384 . 1 1 40 40 LEU C C 13 178.150 0.300 . 1 . . . . 40 LEU C . 10296 1 385 . 1 1 40 40 LEU CA C 13 58.273 0.300 . 1 . . . . 40 LEU CA . 10296 1 386 . 1 1 40 40 LEU CB C 13 41.194 0.300 . 1 . . . . 40 LEU CB . 10296 1 387 . 1 1 40 40 LEU CD1 C 13 26.301 0.300 . 2 . . . . 40 LEU CD1 . 10296 1 388 . 1 1 40 40 LEU CD2 C 13 26.581 0.300 . 2 . . . . 40 LEU CD2 . 10296 1 389 . 1 1 40 40 LEU CG C 13 27.489 0.300 . 1 . . . . 40 LEU CG . 10296 1 390 . 1 1 40 40 LEU N N 15 121.414 0.300 . 1 . . . . 40 LEU N . 10296 1 391 . 1 1 41 41 ALA H H 1 8.577 0.030 . 1 . . . . 41 ALA H . 10296 1 392 . 1 1 41 41 ALA HA H 1 3.650 0.030 . 1 . . . . 41 ALA HA . 10296 1 393 . 1 1 41 41 ALA HB1 H 1 1.524 0.030 . 1 . . . . 41 ALA HB . 10296 1 394 . 1 1 41 41 ALA HB2 H 1 1.524 0.030 . 1 . . . . 41 ALA HB . 10296 1 395 . 1 1 41 41 ALA HB3 H 1 1.524 0.030 . 1 . . . . 41 ALA HB . 10296 1 396 . 1 1 41 41 ALA C C 13 179.559 0.300 . 1 . . . . 41 ALA C . 10296 1 397 . 1 1 41 41 ALA CA C 13 55.925 0.300 . 1 . . . . 41 ALA CA . 10296 1 398 . 1 1 41 41 ALA CB C 13 17.487 0.300 . 1 . . . . 41 ALA CB . 10296 1 399 . 1 1 41 41 ALA N N 15 121.362 0.300 . 1 . . . . 41 ALA N . 10296 1 400 . 1 1 42 42 ARG H H 1 7.986 0.030 . 1 . . . . 42 ARG H . 10296 1 401 . 1 1 42 42 ARG HA H 1 4.083 0.030 . 1 . . . . 42 ARG HA . 10296 1 402 . 1 1 42 42 ARG HB2 H 1 1.867 0.030 . 2 . . . . 42 ARG HB2 . 10296 1 403 . 1 1 42 42 ARG HB3 H 1 1.903 0.030 . 2 . . . . 42 ARG HB3 . 10296 1 404 . 1 1 42 42 ARG HD2 H 1 3.262 0.030 . 2 . . . . 42 ARG HD2 . 10296 1 405 . 1 1 42 42 ARG HD3 H 1 3.178 0.030 . 2 . . . . 42 ARG HD3 . 10296 1 406 . 1 1 42 42 ARG HG2 H 1 1.848 0.030 . 2 . . . . 42 ARG HG2 . 10296 1 407 . 1 1 42 42 ARG HG3 H 1 1.699 0.030 . 2 . . . . 42 ARG HG3 . 10296 1 408 . 1 1 42 42 ARG C C 13 179.000 0.300 . 1 . . . . 42 ARG C . 10296 1 409 . 1 1 42 42 ARG CA C 13 58.578 0.300 . 1 . . . . 42 ARG CA . 10296 1 410 . 1 1 42 42 ARG CB C 13 30.495 0.300 . 1 . . . . 42 ARG CB . 10296 1 411 . 1 1 42 42 ARG CD C 13 43.429 0.300 . 1 . . . . 42 ARG CD . 10296 1 412 . 1 1 42 42 ARG CG C 13 27.852 0.300 . 1 . . . . 42 ARG CG . 10296 1 413 . 1 1 42 42 ARG N N 15 114.579 0.300 . 1 . . . . 42 ARG N . 10296 1 414 . 1 1 43 43 LYS H H 1 7.706 0.030 . 1 . . . . 43 LYS H . 10296 1 415 . 1 1 43 43 LYS HA H 1 4.023 0.030 . 1 . . . . 43 LYS HA . 10296 1 416 . 1 1 43 43 LYS HB2 H 1 2.017 0.030 . 1 . . . . 43 LYS HB2 . 10296 1 417 . 1 1 43 43 LYS HB3 H 1 2.017 0.030 . 1 . . . . 43 LYS HB3 . 10296 1 418 . 1 1 43 43 LYS HD2 H 1 1.626 0.030 . 2 . . . . 43 LYS HD2 . 10296 1 419 . 1 1 43 43 LYS HD3 H 1 1.703 0.030 . 2 . . . . 43 LYS HD3 . 10296 1 420 . 1 1 43 43 LYS HE2 H 1 2.934 0.030 . 1 . . . . 43 LYS HE2 . 10296 1 421 . 1 1 43 43 LYS HE3 H 1 2.934 0.030 . 1 . . . . 43 LYS HE3 . 10296 1 422 . 1 1 43 43 LYS HG2 H 1 1.377 0.030 . 2 . . . . 43 LYS HG2 . 10296 1 423 . 1 1 43 43 LYS HG3 H 1 1.527 0.030 . 2 . . . . 43 LYS HG3 . 10296 1 424 . 1 1 43 43 LYS C C 13 178.248 0.300 . 1 . . . . 43 LYS C . 10296 1 425 . 1 1 43 43 LYS CA C 13 59.177 0.300 . 1 . . . . 43 LYS CA . 10296 1 426 . 1 1 43 43 LYS CB C 13 33.134 0.300 . 1 . . . . 43 LYS CB . 10296 1 427 . 1 1 43 43 LYS CD C 13 29.406 0.300 . 1 . . . . 43 LYS CD . 10296 1 428 . 1 1 43 43 LYS CE C 13 42.105 0.300 . 1 . . . . 43 LYS CE . 10296 1 429 . 1 1 43 43 LYS CG C 13 25.055 0.300 . 1 . . . . 43 LYS CG . 10296 1 430 . 1 1 43 43 LYS N N 15 119.896 0.300 . 1 . . . . 43 LYS N . 10296 1 431 . 1 1 44 44 VAL H H 1 7.681 0.030 . 1 . . . . 44 VAL H . 10296 1 432 . 1 1 44 44 VAL HA H 1 4.522 0.030 . 1 . . . . 44 VAL HA . 10296 1 433 . 1 1 44 44 VAL HB H 1 2.478 0.030 . 1 . . . . 44 VAL HB . 10296 1 434 . 1 1 44 44 VAL HG11 H 1 0.763 0.030 . 1 . . . . 44 VAL HG1 . 10296 1 435 . 1 1 44 44 VAL HG12 H 1 0.763 0.030 . 1 . . . . 44 VAL HG1 . 10296 1 436 . 1 1 44 44 VAL HG13 H 1 0.763 0.030 . 1 . . . . 44 VAL HG1 . 10296 1 437 . 1 1 44 44 VAL HG21 H 1 0.784 0.030 . 1 . . . . 44 VAL HG2 . 10296 1 438 . 1 1 44 44 VAL HG22 H 1 0.784 0.030 . 1 . . . . 44 VAL HG2 . 10296 1 439 . 1 1 44 44 VAL HG23 H 1 0.784 0.030 . 1 . . . . 44 VAL HG2 . 10296 1 440 . 1 1 44 44 VAL C C 13 174.654 0.300 . 1 . . . . 44 VAL C . 10296 1 441 . 1 1 44 44 VAL CA C 13 59.912 0.300 . 1 . . . . 44 VAL CA . 10296 1 442 . 1 1 44 44 VAL CB C 13 30.979 0.300 . 1 . . . . 44 VAL CB . 10296 1 443 . 1 1 44 44 VAL CG1 C 13 20.915 0.300 . 2 . . . . 44 VAL CG1 . 10296 1 444 . 1 1 44 44 VAL CG2 C 13 18.707 0.300 . 2 . . . . 44 VAL CG2 . 10296 1 445 . 1 1 44 44 VAL N N 15 105.042 0.300 . 1 . . . . 44 VAL N . 10296 1 446 . 1 1 45 45 HIS H H 1 7.398 0.030 . 1 . . . . 45 HIS H . 10296 1 447 . 1 1 45 45 HIS HA H 1 4.293 0.030 . 1 . . . . 45 HIS HA . 10296 1 448 . 1 1 45 45 HIS HB2 H 1 3.195 0.030 . 2 . . . . 45 HIS HB2 . 10296 1 449 . 1 1 45 45 HIS HB3 H 1 3.489 0.030 . 2 . . . . 45 HIS HB3 . 10296 1 450 . 1 1 45 45 HIS HD2 H 1 7.023 0.030 . 1 . . . . 45 HIS HD2 . 10296 1 451 . 1 1 45 45 HIS C C 13 174.144 0.300 . 1 . . . . 45 HIS C . 10296 1 452 . 1 1 45 45 HIS CA C 13 56.956 0.300 . 1 . . . . 45 HIS CA . 10296 1 453 . 1 1 45 45 HIS CB C 13 26.353 0.300 . 1 . . . . 45 HIS CB . 10296 1 454 . 1 1 45 45 HIS CD2 C 13 119.639 0.300 . 1 . . . . 45 HIS CD2 . 10296 1 455 . 1 1 45 45 HIS N N 15 117.892 0.300 . 1 . . . . 45 HIS N . 10296 1 456 . 1 1 46 46 LEU H H 1 8.571 0.030 . 1 . . . . 46 LEU H . 10296 1 457 . 1 1 46 46 LEU HA H 1 4.855 0.030 . 1 . . . . 46 LEU HA . 10296 1 458 . 1 1 46 46 LEU HB2 H 1 1.234 0.030 . 2 . . . . 46 LEU HB2 . 10296 1 459 . 1 1 46 46 LEU HB3 H 1 1.472 0.030 . 2 . . . . 46 LEU HB3 . 10296 1 460 . 1 1 46 46 LEU HD11 H 1 0.670 0.030 . 1 . . . . 46 LEU HD1 . 10296 1 461 . 1 1 46 46 LEU HD12 H 1 0.670 0.030 . 1 . . . . 46 LEU HD1 . 10296 1 462 . 1 1 46 46 LEU HD13 H 1 0.670 0.030 . 1 . . . . 46 LEU HD1 . 10296 1 463 . 1 1 46 46 LEU HD21 H 1 0.971 0.030 . 1 . . . . 46 LEU HD2 . 10296 1 464 . 1 1 46 46 LEU HD22 H 1 0.971 0.030 . 1 . . . . 46 LEU HD2 . 10296 1 465 . 1 1 46 46 LEU HD23 H 1 0.971 0.030 . 1 . . . . 46 LEU HD2 . 10296 1 466 . 1 1 46 46 LEU HG H 1 1.594 0.030 . 1 . . . . 46 LEU HG . 10296 1 467 . 1 1 46 46 LEU C C 13 176.256 0.300 . 1 . . . . 46 LEU C . 10296 1 468 . 1 1 46 46 LEU CA C 13 52.689 0.300 . 1 . . . . 46 LEU CA . 10296 1 469 . 1 1 46 46 LEU CB C 13 47.746 0.300 . 1 . . . . 46 LEU CB . 10296 1 470 . 1 1 46 46 LEU CD1 C 13 26.226 0.300 . 2 . . . . 46 LEU CD1 . 10296 1 471 . 1 1 46 46 LEU CD2 C 13 24.654 0.300 . 2 . . . . 46 LEU CD2 . 10296 1 472 . 1 1 46 46 LEU CG C 13 26.989 0.300 . 1 . . . . 46 LEU CG . 10296 1 473 . 1 1 46 46 LEU N N 15 119.288 0.300 . 1 . . . . 46 LEU N . 10296 1 474 . 1 1 47 47 ARG H H 1 7.979 0.030 . 1 . . . . 47 ARG H . 10296 1 475 . 1 1 47 47 ARG HA H 1 4.439 0.030 . 1 . . . . 47 ARG HA . 10296 1 476 . 1 1 47 47 ARG HB2 H 1 1.681 0.030 . 2 . . . . 47 ARG HB2 . 10296 1 477 . 1 1 47 47 ARG HB3 H 1 2.196 0.030 . 2 . . . . 47 ARG HB3 . 10296 1 478 . 1 1 47 47 ARG HD2 H 1 3.272 0.030 . 2 . . . . 47 ARG HD2 . 10296 1 479 . 1 1 47 47 ARG HD3 H 1 3.343 0.030 . 2 . . . . 47 ARG HD3 . 10296 1 480 . 1 1 47 47 ARG HG2 H 1 1.796 0.030 . 2 . . . . 47 ARG HG2 . 10296 1 481 . 1 1 47 47 ARG HG3 H 1 1.880 0.030 . 2 . . . . 47 ARG HG3 . 10296 1 482 . 1 1 47 47 ARG C C 13 178.830 0.300 . 1 . . . . 47 ARG C . 10296 1 483 . 1 1 47 47 ARG CA C 13 55.871 0.300 . 1 . . . . 47 ARG CA . 10296 1 484 . 1 1 47 47 ARG CB C 13 30.838 0.300 . 1 . . . . 47 ARG CB . 10296 1 485 . 1 1 47 47 ARG CD C 13 43.143 0.300 . 1 . . . . 47 ARG CD . 10296 1 486 . 1 1 47 47 ARG CG C 13 27.789 0.300 . 1 . . . . 47 ARG CG . 10296 1 487 . 1 1 47 47 ARG N N 15 119.085 0.300 . 1 . . . . 47 ARG N . 10296 1 488 . 1 1 48 48 GLU H H 1 9.642 0.030 . 1 . . . . 48 GLU H . 10296 1 489 . 1 1 48 48 GLU HA H 1 3.644 0.030 . 1 . . . . 48 GLU HA . 10296 1 490 . 1 1 48 48 GLU HB2 H 1 2.064 0.030 . 2 . . . . 48 GLU HB2 . 10296 1 491 . 1 1 48 48 GLU HB3 H 1 2.187 0.030 . 2 . . . . 48 GLU HB3 . 10296 1 492 . 1 1 48 48 GLU HG2 H 1 2.379 0.030 . 2 . . . . 48 GLU HG2 . 10296 1 493 . 1 1 48 48 GLU HG3 H 1 2.191 0.030 . 2 . . . . 48 GLU HG3 . 10296 1 494 . 1 1 48 48 GLU C C 13 178.515 0.300 . 1 . . . . 48 GLU C . 10296 1 495 . 1 1 48 48 GLU CA C 13 61.612 0.300 . 1 . . . . 48 GLU CA . 10296 1 496 . 1 1 48 48 GLU CB C 13 28.860 0.300 . 1 . . . . 48 GLU CB . 10296 1 497 . 1 1 48 48 GLU CG C 13 37.103 0.300 . 1 . . . . 48 GLU CG . 10296 1 498 . 1 1 48 48 GLU N N 15 125.963 0.300 . 1 . . . . 48 GLU N . 10296 1 499 . 1 1 49 49 GLU H H 1 9.638 0.030 . 1 . . . . 49 GLU H . 10296 1 500 . 1 1 49 49 GLU HA H 1 4.239 0.030 . 1 . . . . 49 GLU HA . 10296 1 501 . 1 1 49 49 GLU HB2 H 1 2.116 0.030 . 1 . . . . 49 GLU HB2 . 10296 1 502 . 1 1 49 49 GLU HB3 H 1 2.116 0.030 . 1 . . . . 49 GLU HB3 . 10296 1 503 . 1 1 49 49 GLU HG2 H 1 2.343 0.030 . 2 . . . . 49 GLU HG2 . 10296 1 504 . 1 1 49 49 GLU HG3 H 1 2.427 0.030 . 2 . . . . 49 GLU HG3 . 10296 1 505 . 1 1 49 49 GLU C C 13 178.927 0.300 . 1 . . . . 49 GLU C . 10296 1 506 . 1 1 49 49 GLU CA C 13 59.681 0.300 . 1 . . . . 49 GLU CA . 10296 1 507 . 1 1 49 49 GLU CB C 13 28.531 0.300 . 1 . . . . 49 GLU CB . 10296 1 508 . 1 1 49 49 GLU CG C 13 35.960 0.300 . 1 . . . . 49 GLU CG . 10296 1 509 . 1 1 49 49 GLU N N 15 118.929 0.300 . 1 . . . . 49 GLU N . 10296 1 510 . 1 1 50 50 LYS H H 1 7.398 0.030 . 1 . . . . 50 LYS H . 10296 1 511 . 1 1 50 50 LYS HA H 1 4.318 0.030 . 1 . . . . 50 LYS HA . 10296 1 512 . 1 1 50 50 LYS HB2 H 1 2.084 0.030 . 2 . . . . 50 LYS HB2 . 10296 1 513 . 1 1 50 50 LYS HB3 H 1 2.214 0.030 . 2 . . . . 50 LYS HB3 . 10296 1 514 . 1 1 50 50 LYS HD2 H 1 1.766 0.030 . 1 . . . . 50 LYS HD2 . 10296 1 515 . 1 1 50 50 LYS HD3 H 1 1.766 0.030 . 1 . . . . 50 LYS HD3 . 10296 1 516 . 1 1 50 50 LYS HE2 H 1 2.870 0.030 . 1 . . . . 50 LYS HE2 . 10296 1 517 . 1 1 50 50 LYS HE3 H 1 2.870 0.030 . 1 . . . . 50 LYS HE3 . 10296 1 518 . 1 1 50 50 LYS HG2 H 1 1.583 0.030 . 2 . . . . 50 LYS HG2 . 10296 1 519 . 1 1 50 50 LYS HG3 H 1 1.751 0.030 . 2 . . . . 50 LYS HG3 . 10296 1 520 . 1 1 50 50 LYS C C 13 179.486 0.300 . 1 . . . . 50 LYS C . 10296 1 521 . 1 1 50 50 LYS CA C 13 58.084 0.300 . 1 . . . . 50 LYS CA . 10296 1 522 . 1 1 50 50 LYS CB C 13 32.487 0.300 . 1 . . . . 50 LYS CB . 10296 1 523 . 1 1 50 50 LYS CD C 13 28.970 0.300 . 1 . . . . 50 LYS CD . 10296 1 524 . 1 1 50 50 LYS CE C 13 42.156 0.300 . 1 . . . . 50 LYS CE . 10296 1 525 . 1 1 50 50 LYS CG C 13 25.600 0.300 . 1 . . . . 50 LYS CG . 10296 1 526 . 1 1 50 50 LYS N N 15 117.569 0.300 . 1 . . . . 50 LYS N . 10296 1 527 . 1 1 51 51 VAL H H 1 7.614 0.030 . 1 . . . . 51 VAL H . 10296 1 528 . 1 1 51 51 VAL HA H 1 3.739 0.030 . 1 . . . . 51 VAL HA . 10296 1 529 . 1 1 51 51 VAL HB H 1 2.601 0.030 . 1 . . . . 51 VAL HB . 10296 1 530 . 1 1 51 51 VAL HG11 H 1 1.102 0.030 . 1 . . . . 51 VAL HG1 . 10296 1 531 . 1 1 51 51 VAL HG12 H 1 1.102 0.030 . 1 . . . . 51 VAL HG1 . 10296 1 532 . 1 1 51 51 VAL HG13 H 1 1.102 0.030 . 1 . . . . 51 VAL HG1 . 10296 1 533 . 1 1 51 51 VAL HG21 H 1 0.989 0.030 . 1 . . . . 51 VAL HG2 . 10296 1 534 . 1 1 51 51 VAL HG22 H 1 0.989 0.030 . 1 . . . . 51 VAL HG2 . 10296 1 535 . 1 1 51 51 VAL HG23 H 1 0.989 0.030 . 1 . . . . 51 VAL HG2 . 10296 1 536 . 1 1 51 51 VAL C C 13 177.641 0.300 . 1 . . . . 51 VAL C . 10296 1 537 . 1 1 51 51 VAL CA C 13 66.900 0.300 . 1 . . . . 51 VAL CA . 10296 1 538 . 1 1 51 51 VAL CB C 13 31.876 0.300 . 1 . . . . 51 VAL CB . 10296 1 539 . 1 1 51 51 VAL CG1 C 13 21.880 0.300 . 2 . . . . 51 VAL CG1 . 10296 1 540 . 1 1 51 51 VAL CG2 C 13 23.440 0.300 . 2 . . . . 51 VAL CG2 . 10296 1 541 . 1 1 51 51 VAL N N 15 120.291 0.300 . 1 . . . . 51 VAL N . 10296 1 542 . 1 1 52 52 GLU H H 1 8.274 0.030 . 1 . . . . 52 GLU H . 10296 1 543 . 1 1 52 52 GLU HA H 1 4.198 0.030 . 1 . . . . 52 GLU HA . 10296 1 544 . 1 1 52 52 GLU HB2 H 1 2.177 0.030 . 2 . . . . 52 GLU HB2 . 10296 1 545 . 1 1 52 52 GLU HB3 H 1 2.262 0.030 . 2 . . . . 52 GLU HB3 . 10296 1 546 . 1 1 52 52 GLU HG2 H 1 2.280 0.030 . 2 . . . . 52 GLU HG2 . 10296 1 547 . 1 1 52 52 GLU C C 13 179.073 0.300 . 1 . . . . 52 GLU C . 10296 1 548 . 1 1 52 52 GLU CA C 13 60.434 0.300 . 1 . . . . 52 GLU CA . 10296 1 549 . 1 1 52 52 GLU CB C 13 29.073 0.300 . 1 . . . . 52 GLU CB . 10296 1 550 . 1 1 52 52 GLU CG C 13 35.701 0.300 . 1 . . . . 52 GLU CG . 10296 1 551 . 1 1 52 52 GLU N N 15 120.105 0.300 . 1 . . . . 52 GLU N . 10296 1 552 . 1 1 53 53 VAL H H 1 7.936 0.030 . 1 . . . . 53 VAL H . 10296 1 553 . 1 1 53 53 VAL HA H 1 3.692 0.030 . 1 . . . . 53 VAL HA . 10296 1 554 . 1 1 53 53 VAL HB H 1 2.264 0.030 . 1 . . . . 53 VAL HB . 10296 1 555 . 1 1 53 53 VAL HG11 H 1 1.105 0.030 . 1 . . . . 53 VAL HG1 . 10296 1 556 . 1 1 53 53 VAL HG12 H 1 1.105 0.030 . 1 . . . . 53 VAL HG1 . 10296 1 557 . 1 1 53 53 VAL HG13 H 1 1.105 0.030 . 1 . . . . 53 VAL HG1 . 10296 1 558 . 1 1 53 53 VAL HG21 H 1 1.229 0.030 . 1 . . . . 53 VAL HG2 . 10296 1 559 . 1 1 53 53 VAL HG22 H 1 1.229 0.030 . 1 . . . . 53 VAL HG2 . 10296 1 560 . 1 1 53 53 VAL HG23 H 1 1.229 0.030 . 1 . . . . 53 VAL HG2 . 10296 1 561 . 1 1 53 53 VAL C C 13 177.592 0.300 . 1 . . . . 53 VAL C . 10296 1 562 . 1 1 53 53 VAL CA C 13 66.935 0.300 . 1 . . . . 53 VAL CA . 10296 1 563 . 1 1 53 53 VAL CB C 13 32.273 0.300 . 1 . . . . 53 VAL CB . 10296 1 564 . 1 1 53 53 VAL CG1 C 13 21.492 0.300 . 2 . . . . 53 VAL CG1 . 10296 1 565 . 1 1 53 53 VAL CG2 C 13 23.429 0.300 . 2 . . . . 53 VAL CG2 . 10296 1 566 . 1 1 53 53 VAL N N 15 119.238 0.300 . 1 . . . . 53 VAL N . 10296 1 567 . 1 1 54 54 TRP H H 1 8.321 0.030 . 1 . . . . 54 TRP H . 10296 1 568 . 1 1 54 54 TRP HA H 1 4.083 0.030 . 1 . . . . 54 TRP HA . 10296 1 569 . 1 1 54 54 TRP HB2 H 1 3.301 0.030 . 2 . . . . 54 TRP HB2 . 10296 1 570 . 1 1 54 54 TRP HB3 H 1 3.491 0.030 . 2 . . . . 54 TRP HB3 . 10296 1 571 . 1 1 54 54 TRP HD1 H 1 6.705 0.030 . 1 . . . . 54 TRP HD1 . 10296 1 572 . 1 1 54 54 TRP HE1 H 1 9.321 0.030 . 1 . . . . 54 TRP HE1 . 10296 1 573 . 1 1 54 54 TRP HE3 H 1 5.528 0.030 . 1 . . . . 54 TRP HE3 . 10296 1 574 . 1 1 54 54 TRP HH2 H 1 6.465 0.030 . 1 . . . . 54 TRP HH2 . 10296 1 575 . 1 1 54 54 TRP HZ2 H 1 7.186 0.030 . 1 . . . . 54 TRP HZ2 . 10296 1 576 . 1 1 54 54 TRP HZ3 H 1 6.558 0.030 . 1 . . . . 54 TRP HZ3 . 10296 1 577 . 1 1 54 54 TRP C C 13 179.802 0.300 . 1 . . . . 54 TRP C . 10296 1 578 . 1 1 54 54 TRP CA C 13 63.129 0.300 . 1 . . . . 54 TRP CA . 10296 1 579 . 1 1 54 54 TRP CB C 13 28.635 0.300 . 1 . . . . 54 TRP CB . 10296 1 580 . 1 1 54 54 TRP CD1 C 13 127.090 0.300 . 1 . . . . 54 TRP CD1 . 10296 1 581 . 1 1 54 54 TRP CE3 C 13 121.162 0.300 . 1 . . . . 54 TRP CE3 . 10296 1 582 . 1 1 54 54 TRP CH2 C 13 123.659 0.300 . 1 . . . . 54 TRP CH2 . 10296 1 583 . 1 1 54 54 TRP CZ2 C 13 114.062 0.300 . 1 . . . . 54 TRP CZ2 . 10296 1 584 . 1 1 54 54 TRP CZ3 C 13 121.266 0.300 . 1 . . . . 54 TRP CZ3 . 10296 1 585 . 1 1 54 54 TRP N N 15 121.382 0.300 . 1 . . . . 54 TRP N . 10296 1 586 . 1 1 54 54 TRP NE1 N 15 128.288 0.300 . 1 . . . . 54 TRP NE1 . 10296 1 587 . 1 1 55 55 PHE H H 1 8.834 0.030 . 1 . . . . 55 PHE H . 10296 1 588 . 1 1 55 55 PHE HA H 1 3.676 0.030 . 1 . . . . 55 PHE HA . 10296 1 589 . 1 1 55 55 PHE HB2 H 1 3.408 0.030 . 2 . . . . 55 PHE HB2 . 10296 1 590 . 1 1 55 55 PHE HB3 H 1 3.230 0.030 . 2 . . . . 55 PHE HB3 . 10296 1 591 . 1 1 55 55 PHE HD1 H 1 7.726 0.030 . 1 . . . . 55 PHE HD1 . 10296 1 592 . 1 1 55 55 PHE HD2 H 1 7.726 0.030 . 1 . . . . 55 PHE HD2 . 10296 1 593 . 1 1 55 55 PHE HE1 H 1 7.568 0.030 . 1 . . . . 55 PHE HE1 . 10296 1 594 . 1 1 55 55 PHE HE2 H 1 7.568 0.030 . 1 . . . . 55 PHE HE2 . 10296 1 595 . 1 1 55 55 PHE HZ H 1 7.390 0.030 . 1 . . . . 55 PHE HZ . 10296 1 596 . 1 1 55 55 PHE C C 13 178.150 0.300 . 1 . . . . 55 PHE C . 10296 1 597 . 1 1 55 55 PHE CA C 13 64.096 0.300 . 1 . . . . 55 PHE CA . 10296 1 598 . 1 1 55 55 PHE CB C 13 39.358 0.300 . 1 . . . . 55 PHE CB . 10296 1 599 . 1 1 55 55 PHE CD1 C 13 131.781 0.300 . 1 . . . . 55 PHE CD1 . 10296 1 600 . 1 1 55 55 PHE CD2 C 13 131.781 0.300 . 1 . . . . 55 PHE CD2 . 10296 1 601 . 1 1 55 55 PHE CE1 C 13 131.919 0.300 . 1 . . . . 55 PHE CE1 . 10296 1 602 . 1 1 55 55 PHE CE2 C 13 131.919 0.300 . 1 . . . . 55 PHE CE2 . 10296 1 603 . 1 1 55 55 PHE CZ C 13 130.186 0.300 . 1 . . . . 55 PHE CZ . 10296 1 604 . 1 1 55 55 PHE N N 15 118.755 0.300 . 1 . . . . 55 PHE N . 10296 1 605 . 1 1 56 56 LYS H H 1 8.241 0.030 . 1 . . . . 56 LYS H . 10296 1 606 . 1 1 56 56 LYS HA H 1 3.977 0.030 . 1 . . . . 56 LYS HA . 10296 1 607 . 1 1 56 56 LYS HB2 H 1 2.003 0.030 . 1 . . . . 56 LYS HB2 . 10296 1 608 . 1 1 56 56 LYS HB3 H 1 2.003 0.030 . 1 . . . . 56 LYS HB3 . 10296 1 609 . 1 1 56 56 LYS HD2 H 1 1.752 0.030 . 2 . . . . 56 LYS HD2 . 10296 1 610 . 1 1 56 56 LYS HE2 H 1 3.023 0.030 . 2 . . . . 56 LYS HE2 . 10296 1 611 . 1 1 56 56 LYS HG2 H 1 1.442 0.030 . 2 . . . . 56 LYS HG2 . 10296 1 612 . 1 1 56 56 LYS C C 13 180.166 0.300 . 1 . . . . 56 LYS C . 10296 1 613 . 1 1 56 56 LYS CA C 13 60.744 0.300 . 1 . . . . 56 LYS CA . 10296 1 614 . 1 1 56 56 LYS CB C 13 32.322 0.300 . 1 . . . . 56 LYS CB . 10296 1 615 . 1 1 56 56 LYS CD C 13 29.863 0.300 . 1 . . . . 56 LYS CD . 10296 1 616 . 1 1 56 56 LYS CE C 13 42.132 0.300 . 1 . . . . 56 LYS CE . 10296 1 617 . 1 1 56 56 LYS CG C 13 25.636 0.300 . 1 . . . . 56 LYS CG . 10296 1 618 . 1 1 56 56 LYS N N 15 120.065 0.300 . 1 . . . . 56 LYS N . 10296 1 619 . 1 1 57 57 ASN H H 1 8.084 0.030 . 1 . . . . 57 ASN H . 10296 1 620 . 1 1 57 57 ASN HA H 1 4.367 0.030 . 1 . . . . 57 ASN HA . 10296 1 621 . 1 1 57 57 ASN HB2 H 1 2.506 0.030 . 2 . . . . 57 ASN HB2 . 10296 1 622 . 1 1 57 57 ASN HB3 H 1 2.670 0.030 . 2 . . . . 57 ASN HB3 . 10296 1 623 . 1 1 57 57 ASN HD21 H 1 7.557 0.030 . 2 . . . . 57 ASN HD21 . 10296 1 624 . 1 1 57 57 ASN HD22 H 1 6.976 0.030 . 2 . . . . 57 ASN HD22 . 10296 1 625 . 1 1 57 57 ASN C C 13 177.422 0.300 . 1 . . . . 57 ASN C . 10296 1 626 . 1 1 57 57 ASN CA C 13 55.660 0.300 . 1 . . . . 57 ASN CA . 10296 1 627 . 1 1 57 57 ASN CB C 13 38.008 0.300 . 1 . . . . 57 ASN CB . 10296 1 628 . 1 1 57 57 ASN N N 15 118.967 0.300 . 1 . . . . 57 ASN N . 10296 1 629 . 1 1 57 57 ASN ND2 N 15 113.475 0.300 . 1 . . . . 57 ASN ND2 . 10296 1 630 . 1 1 58 58 ARG H H 1 8.575 0.030 . 1 . . . . 58 ARG H . 10296 1 631 . 1 1 58 58 ARG HA H 1 3.463 0.030 . 1 . . . . 58 ARG HA . 10296 1 632 . 1 1 58 58 ARG HB2 H 1 -0.578 0.030 . 2 . . . . 58 ARG HB2 . 10296 1 633 . 1 1 58 58 ARG HB3 H 1 0.646 0.030 . 2 . . . . 58 ARG HB3 . 10296 1 634 . 1 1 58 58 ARG HD2 H 1 2.022 0.030 . 2 . . . . 58 ARG HD2 . 10296 1 635 . 1 1 58 58 ARG HD3 H 1 2.359 0.030 . 2 . . . . 58 ARG HD3 . 10296 1 636 . 1 1 58 58 ARG HE H 1 9.557 0.030 . 1 . . . . 58 ARG HE . 10296 1 637 . 1 1 58 58 ARG HG2 H 1 -0.254 0.030 . 2 . . . . 58 ARG HG2 . 10296 1 638 . 1 1 58 58 ARG HG3 H 1 -0.589 0.030 . 2 . . . . 58 ARG HG3 . 10296 1 639 . 1 1 58 58 ARG C C 13 180.044 0.300 . 1 . . . . 58 ARG C . 10296 1 640 . 1 1 58 58 ARG CA C 13 56.568 0.300 . 1 . . . . 58 ARG CA . 10296 1 641 . 1 1 58 58 ARG CB C 13 28.155 0.300 . 1 . . . . 58 ARG CB . 10296 1 642 . 1 1 58 58 ARG CD C 13 40.549 0.300 . 1 . . . . 58 ARG CD . 10296 1 643 . 1 1 58 58 ARG CG C 13 24.138 0.300 . 1 . . . . 58 ARG CG . 10296 1 644 . 1 1 58 58 ARG N N 15 124.441 0.300 . 1 . . . . 58 ARG N . 10296 1 645 . 1 1 58 58 ARG NE N 15 89.298 0.300 . 1 . . . . 58 ARG NE . 10296 1 646 . 1 1 59 59 ARG H H 1 8.490 0.030 . 1 . . . . 59 ARG H . 10296 1 647 . 1 1 59 59 ARG HA H 1 4.334 0.030 . 1 . . . . 59 ARG HA . 10296 1 648 . 1 1 59 59 ARG HB2 H 1 1.977 0.030 . 2 . . . . 59 ARG HB2 . 10296 1 649 . 1 1 59 59 ARG HB3 H 1 2.294 0.030 . 2 . . . . 59 ARG HB3 . 10296 1 650 . 1 1 59 59 ARG HD2 H 1 2.784 0.030 . 2 . . . . 59 ARG HD2 . 10296 1 651 . 1 1 59 59 ARG HD3 H 1 2.823 0.030 . 2 . . . . 59 ARG HD3 . 10296 1 652 . 1 1 59 59 ARG HG2 H 1 1.413 0.030 . 2 . . . . 59 ARG HG2 . 10296 1 653 . 1 1 59 59 ARG C C 13 178.223 0.300 . 1 . . . . 59 ARG C . 10296 1 654 . 1 1 59 59 ARG CA C 13 60.699 0.300 . 1 . . . . 59 ARG CA . 10296 1 655 . 1 1 59 59 ARG CB C 13 31.905 0.300 . 1 . . . . 59 ARG CB . 10296 1 656 . 1 1 59 59 ARG CD C 13 43.860 0.300 . 1 . . . . 59 ARG CD . 10296 1 657 . 1 1 59 59 ARG CG C 13 31.470 0.300 . 1 . . . . 59 ARG CG . 10296 1 658 . 1 1 59 59 ARG N N 15 118.847 0.300 . 1 . . . . 59 ARG N . 10296 1 659 . 1 1 60 60 ALA H H 1 7.459 0.030 . 1 . . . . 60 ALA H . 10296 1 660 . 1 1 60 60 ALA HA H 1 4.225 0.030 . 1 . . . . 60 ALA HA . 10296 1 661 . 1 1 60 60 ALA HB1 H 1 1.528 0.030 . 1 . . . . 60 ALA HB . 10296 1 662 . 1 1 60 60 ALA HB2 H 1 1.528 0.030 . 1 . . . . 60 ALA HB . 10296 1 663 . 1 1 60 60 ALA HB3 H 1 1.528 0.030 . 1 . . . . 60 ALA HB . 10296 1 664 . 1 1 60 60 ALA C C 13 179.680 0.300 . 1 . . . . 60 ALA C . 10296 1 665 . 1 1 60 60 ALA CA C 13 55.051 0.300 . 1 . . . . 60 ALA CA . 10296 1 666 . 1 1 60 60 ALA CB C 13 17.817 0.300 . 1 . . . . 60 ALA CB . 10296 1 667 . 1 1 60 60 ALA N N 15 121.387 0.300 . 1 . . . . 60 ALA N . 10296 1 668 . 1 1 61 61 LYS H H 1 7.452 0.030 . 1 . . . . 61 LYS H . 10296 1 669 . 1 1 61 61 LYS HA H 1 4.042 0.030 . 1 . . . . 61 LYS HA . 10296 1 670 . 1 1 61 61 LYS HB2 H 1 1.780 0.030 . 1 . . . . 61 LYS HB2 . 10296 1 671 . 1 1 61 61 LYS HB3 H 1 1.780 0.030 . 1 . . . . 61 LYS HB3 . 10296 1 672 . 1 1 61 61 LYS HD2 H 1 1.517 0.030 . 2 . . . . 61 LYS HD2 . 10296 1 673 . 1 1 61 61 LYS HE2 H 1 2.847 0.030 . 2 . . . . 61 LYS HE2 . 10296 1 674 . 1 1 61 61 LYS HG2 H 1 1.291 0.030 . 2 . . . . 61 LYS HG2 . 10296 1 675 . 1 1 61 61 LYS HG3 H 1 1.419 0.030 . 2 . . . . 61 LYS HG3 . 10296 1 676 . 1 1 61 61 LYS C C 13 178.078 0.300 . 1 . . . . 61 LYS C . 10296 1 677 . 1 1 61 61 LYS CA C 13 58.472 0.300 . 1 . . . . 61 LYS CA . 10296 1 678 . 1 1 61 61 LYS CB C 13 32.734 0.300 . 1 . . . . 61 LYS CB . 10296 1 679 . 1 1 61 61 LYS CD C 13 29.405 0.300 . 1 . . . . 61 LYS CD . 10296 1 680 . 1 1 61 61 LYS CE C 13 42.073 0.300 . 1 . . . . 61 LYS CE . 10296 1 681 . 1 1 61 61 LYS CG C 13 24.878 0.300 . 1 . . . . 61 LYS CG . 10296 1 682 . 1 1 61 61 LYS N N 15 118.087 0.300 . 1 . . . . 61 LYS N . 10296 1 683 . 1 1 62 62 TRP H H 1 8.008 0.030 . 1 . . . . 62 TRP H . 10296 1 684 . 1 1 62 62 TRP HA H 1 4.632 0.030 . 1 . . . . 62 TRP HA . 10296 1 685 . 1 1 62 62 TRP HB2 H 1 3.775 0.030 . 2 . . . . 62 TRP HB2 . 10296 1 686 . 1 1 62 62 TRP HB3 H 1 3.380 0.030 . 2 . . . . 62 TRP HB3 . 10296 1 687 . 1 1 62 62 TRP HD1 H 1 7.471 0.030 . 1 . . . . 62 TRP HD1 . 10296 1 688 . 1 1 62 62 TRP HE1 H 1 10.330 0.030 . 1 . . . . 62 TRP HE1 . 10296 1 689 . 1 1 62 62 TRP HE3 H 1 7.741 0.030 . 1 . . . . 62 TRP HE3 . 10296 1 690 . 1 1 62 62 TRP HH2 H 1 7.318 0.030 . 1 . . . . 62 TRP HH2 . 10296 1 691 . 1 1 62 62 TRP HZ2 H 1 7.533 0.030 . 1 . . . . 62 TRP HZ2 . 10296 1 692 . 1 1 62 62 TRP HZ3 H 1 7.155 0.030 . 1 . . . . 62 TRP HZ3 . 10296 1 693 . 1 1 62 62 TRP C C 13 177.471 0.300 . 1 . . . . 62 TRP C . 10296 1 694 . 1 1 62 62 TRP CA C 13 59.120 0.300 . 1 . . . . 62 TRP CA . 10296 1 695 . 1 1 62 62 TRP CB C 13 29.366 0.300 . 1 . . . . 62 TRP CB . 10296 1 696 . 1 1 62 62 TRP CD1 C 13 127.179 0.300 . 1 . . . . 62 TRP CD1 . 10296 1 697 . 1 1 62 62 TRP CE3 C 13 120.006 0.300 . 1 . . . . 62 TRP CE3 . 10296 1 698 . 1 1 62 62 TRP CH2 C 13 124.684 0.300 . 1 . . . . 62 TRP CH2 . 10296 1 699 . 1 1 62 62 TRP CZ2 C 13 114.714 0.300 . 1 . . . . 62 TRP CZ2 . 10296 1 700 . 1 1 62 62 TRP CZ3 C 13 121.788 0.300 . 1 . . . . 62 TRP CZ3 . 10296 1 701 . 1 1 62 62 TRP N N 15 121.749 0.300 . 1 . . . . 62 TRP N . 10296 1 702 . 1 1 62 62 TRP NE1 N 15 130.753 0.300 . 1 . . . . 62 TRP NE1 . 10296 1 703 . 1 1 63 63 ARG H H 1 8.286 0.030 . 1 . . . . 63 ARG H . 10296 1 704 . 1 1 63 63 ARG HA H 1 3.736 0.030 . 1 . . . . 63 ARG HA . 10296 1 705 . 1 1 63 63 ARG HB2 H 1 1.758 0.030 . 1 . . . . 63 ARG HB2 . 10296 1 706 . 1 1 63 63 ARG HB3 H 1 1.758 0.030 . 1 . . . . 63 ARG HB3 . 10296 1 707 . 1 1 63 63 ARG HD2 H 1 3.055 0.030 . 1 . . . . 63 ARG HD2 . 10296 1 708 . 1 1 63 63 ARG HD3 H 1 3.055 0.030 . 1 . . . . 63 ARG HD3 . 10296 1 709 . 1 1 63 63 ARG HG2 H 1 1.453 0.030 . 2 . . . . 63 ARG HG2 . 10296 1 710 . 1 1 63 63 ARG HG3 H 1 1.657 0.030 . 2 . . . . 63 ARG HG3 . 10296 1 711 . 1 1 63 63 ARG C C 13 176.888 0.300 . 1 . . . . 63 ARG C . 10296 1 712 . 1 1 63 63 ARG CA C 13 57.385 0.300 . 1 . . . . 63 ARG CA . 10296 1 713 . 1 1 63 63 ARG CB C 13 30.726 0.300 . 1 . . . . 63 ARG CB . 10296 1 714 . 1 1 63 63 ARG CD C 13 43.272 0.300 . 1 . . . . 63 ARG CD . 10296 1 715 . 1 1 63 63 ARG CG C 13 27.570 0.300 . 1 . . . . 63 ARG CG . 10296 1 716 . 1 1 63 63 ARG N N 15 119.622 0.300 . 1 . . . . 63 ARG N . 10296 1 717 . 1 1 64 64 ARG H H 1 7.670 0.030 . 1 . . . . 64 ARG H . 10296 1 718 . 1 1 64 64 ARG HA H 1 4.196 0.030 . 1 . . . . 64 ARG HA . 10296 1 719 . 1 1 64 64 ARG HB2 H 1 1.852 0.030 . 1 . . . . 64 ARG HB2 . 10296 1 720 . 1 1 64 64 ARG HB3 H 1 1.852 0.030 . 1 . . . . 64 ARG HB3 . 10296 1 721 . 1 1 64 64 ARG HD2 H 1 3.268 0.030 . 2 . . . . 64 ARG HD2 . 10296 1 722 . 1 1 64 64 ARG HG2 H 1 1.676 0.030 . 2 . . . . 64 ARG HG2 . 10296 1 723 . 1 1 64 64 ARG C C 13 176.645 0.300 . 1 . . . . 64 ARG C . 10296 1 724 . 1 1 64 64 ARG CA C 13 56.956 0.300 . 1 . . . . 64 ARG CA . 10296 1 725 . 1 1 64 64 ARG CB C 13 30.369 0.300 . 1 . . . . 64 ARG CB . 10296 1 726 . 1 1 64 64 ARG CD C 13 43.468 0.300 . 1 . . . . 64 ARG CD . 10296 1 727 . 1 1 64 64 ARG CG C 13 27.532 0.300 . 1 . . . . 64 ARG CG . 10296 1 728 . 1 1 64 64 ARG N N 15 119.096 0.300 . 1 . . . . 64 ARG N . 10296 1 729 . 1 1 65 65 SER H H 1 7.962 0.030 . 1 . . . . 65 SER H . 10296 1 730 . 1 1 65 65 SER HA H 1 4.474 0.030 . 1 . . . . 65 SER HA . 10296 1 731 . 1 1 65 65 SER HB2 H 1 3.908 0.030 . 1 . . . . 65 SER HB2 . 10296 1 732 . 1 1 65 65 SER HB3 H 1 3.908 0.030 . 1 . . . . 65 SER HB3 . 10296 1 733 . 1 1 65 65 SER C C 13 174.435 0.300 . 1 . . . . 65 SER C . 10296 1 734 . 1 1 65 65 SER CA C 13 58.837 0.300 . 1 . . . . 65 SER CA . 10296 1 735 . 1 1 65 65 SER CB C 13 63.947 0.300 . 1 . . . . 65 SER CB . 10296 1 736 . 1 1 65 65 SER N N 15 115.352 0.300 . 1 . . . . 65 SER N . 10296 1 737 . 1 1 66 66 GLY H H 1 8.031 0.030 . 1 . . . . 66 GLY H . 10296 1 738 . 1 1 66 66 GLY HA2 H 1 4.068 0.030 . 2 . . . . 66 GLY HA2 . 10296 1 739 . 1 1 66 66 GLY C C 13 171.813 0.300 . 1 . . . . 66 GLY C . 10296 1 740 . 1 1 66 66 GLY CA C 13 44.800 0.300 . 1 . . . . 66 GLY CA . 10296 1 741 . 1 1 66 66 GLY N N 15 110.503 0.300 . 1 . . . . 66 GLY N . 10296 1 742 . 1 1 67 67 PRO HA H 1 4.456 0.030 . 1 . . . . 67 PRO HA . 10296 1 743 . 1 1 67 67 PRO HB2 H 1 2.268 0.030 . 2 . . . . 67 PRO HB2 . 10296 1 744 . 1 1 67 67 PRO HB3 H 1 1.974 0.030 . 2 . . . . 67 PRO HB3 . 10296 1 745 . 1 1 67 67 PRO HD2 H 1 3.597 0.030 . 2 . . . . 67 PRO HD2 . 10296 1 746 . 1 1 67 67 PRO HG2 H 1 1.969 0.030 . 2 . . . . 67 PRO HG2 . 10296 1 747 . 1 1 67 67 PRO CA C 13 63.352 0.300 . 1 . . . . 67 PRO CA . 10296 1 748 . 1 1 67 67 PRO CB C 13 32.167 0.300 . 1 . . . . 67 PRO CB . 10296 1 749 . 1 1 67 67 PRO CD C 13 49.843 0.300 . 1 . . . . 67 PRO CD . 10296 1 750 . 1 1 67 67 PRO CG C 13 27.140 0.300 . 1 . . . . 67 PRO CG . 10296 1 751 . 1 1 68 68 SER HA H 1 4.457 0.030 . 1 . . . . 68 SER HA . 10296 1 752 . 1 1 68 68 SER HB2 H 1 3.887 0.030 . 1 . . . . 68 SER HB2 . 10296 1 753 . 1 1 68 68 SER HB3 H 1 3.887 0.030 . 1 . . . . 68 SER HB3 . 10296 1 754 . 1 1 68 68 SER C C 13 174.654 0.300 . 1 . . . . 68 SER C . 10296 1 755 . 1 1 68 68 SER CA C 13 58.612 0.300 . 1 . . . . 68 SER CA . 10296 1 756 . 1 1 68 68 SER CB C 13 63.845 0.300 . 1 . . . . 68 SER CB . 10296 1 757 . 1 1 69 69 SER HA H 1 4.491 0.030 . 1 . . . . 69 SER HA . 10296 1 758 . 1 1 69 69 SER HB2 H 1 3.870 0.030 . 1 . . . . 69 SER HB2 . 10296 1 759 . 1 1 69 69 SER HB3 H 1 3.870 0.030 . 1 . . . . 69 SER HB3 . 10296 1 760 . 1 1 69 69 SER C C 13 173.925 0.300 . 1 . . . . 69 SER C . 10296 1 761 . 1 1 69 69 SER CA C 13 58.423 0.300 . 1 . . . . 69 SER CA . 10296 1 762 . 1 1 69 69 SER CB C 13 63.969 0.300 . 1 . . . . 69 SER CB . 10296 1 763 . 1 1 70 70 GLY H H 1 8.045 0.030 . 1 . . . . 70 GLY H . 10296 1 764 . 1 1 70 70 GLY C C 13 179.000 0.300 . 1 . . . . 70 GLY C . 10296 1 765 . 1 1 70 70 GLY CA C 13 46.271 0.300 . 1 . . . . 70 GLY CA . 10296 1 766 . 1 1 70 70 GLY N N 15 116.786 0.300 . 1 . . . . 70 GLY N . 10296 1 stop_ save_