data_10047 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10047 _Entry.Title ; Solution Structure of the Homeobox Domain of Human Homeodomain Leucine Zipper-Encoding Gene (Homez) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-09 _Entry.Accession_date 2006-11-09 _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 Y. Kamatari . . . 10047 2 N. Tochio . . . 10047 3 N. Nameki . . . 10047 4 K. Miyamoto . . . 10047 5 H. Li . . . 10047 6 N. Kobayashi . . . 10047 7 S. Koshiba . . . 10047 8 M. Inoue . . . 10047 9 T. Kigawa . . . 10047 10 S. Yokoyama . . . 10047 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' . 10047 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10047 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 10047 '15N chemical shifts' 73 10047 '1H chemical shifts' 513 10047 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 . 10047 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ECC 'BMRB Entry Tracking System' 10047 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10047 _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 Human Homeodomain Leucine Zipper-Encoding Gene (Homez) ; _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 Y. Kamatari . . . 10047 1 2 N. Tochio . . . 10047 1 3 N. Nameki . . . 10047 1 4 K. Miyamoto . . . 10047 1 5 H. Li . . . 10047 1 6 N. Kobayashi . . . 10047 1 7 S. Koshiba . . . 10047 1 8 M. Inoue . . . 10047 1 9 T. Kigawa . . . 10047 1 10 S. Yokoyama . . . 10047 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10047 _Assembly.ID 1 _Assembly.Name 'Homeobox leucine zipper protein Homez' _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' 10047 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 'Homeobox leucine zipper protein Homez' 1 $entity_1 . . yes native no no . . . 10047 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 1WJH . . . . . . 10047 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10047 _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 ; GSSGSSGKRKTKEQLAILKS FFLQCQWARREDYQKLEQIT GLPRPEIIQWFGDTRYALKH GQLKWFRDNASGPSSG ; _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 76 _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 2ECC . "Solution Structure Of The Second Homeobox Domain Of Human Homeodomain Leucine Zipper-Encoding Gene (Homez)" . . . . . 100.00 76 100.00 100.00 3.54e-47 . . . . 10047 1 2 no DBJ BAA92681 . "KIAA1443 protein [Homo sapiens]" . . . . . 82.89 549 100.00 100.00 2.10e-36 . . . . 10047 1 3 no DBJ BAC98171 . "mKIAA1443 protein [Mus musculus]" . . . . . 82.89 564 98.41 98.41 1.89e-35 . . . . 10047 1 4 no DBJ BAG10069 . "homeobox and leucine zipper protein Homez [synthetic construct]" . . . . . 82.89 549 100.00 100.00 2.10e-36 . . . . 10047 1 5 no DBJ BAG59479 . "unnamed protein product [Homo sapiens]" . . . . . 82.89 548 100.00 100.00 1.97e-36 . . . . 10047 1 6 no DBJ BAG63292 . "unnamed protein product [Homo sapiens]" . . . . . 82.89 545 100.00 100.00 1.91e-36 . . . . 10047 1 7 no GB AAH84701 . "Homeobox and leucine zipper encoding [Rattus norvegicus]" . . . . . 82.89 534 98.41 98.41 1.40e-35 . . . . 10047 1 8 no GB AAH85694 . "Homeobox and leucine zipper encoding [Rattus norvegicus]" . . . . . 82.89 534 98.41 98.41 1.40e-35 . . . . 10047 1 9 no GB AAH94669 . "Homeodomain leucine zipper-encoding gene [Mus musculus]" . . . . . 82.89 518 98.41 98.41 1.26e-35 . . . . 10047 1 10 no GB AAI30393 . "Homeobox and leucine zipper encoding [Homo sapiens]" . . . . . 82.89 525 100.00 100.00 1.59e-36 . . . . 10047 1 11 no GB AAM94347 . "homeodomain-leucine zipper protein HOMEZ [Rattus norvegicus]" . . . . . 82.89 513 98.41 98.41 1.12e-35 . . . . 10047 1 12 no REF NP_001171176 . "homeobox and leucine zipper protein Homez [Mus musculus]" . . . . . 82.89 518 98.41 98.41 1.26e-35 . . . . 10047 1 13 no REF NP_065885 . "homeobox and leucine zipper protein Homez [Homo sapiens]" . . . . . 82.89 550 100.00 100.00 2.05e-36 . . . . 10047 1 14 no REF NP_690062 . "homeobox and leucine zipper protein Homez [Rattus norvegicus]" . . . . . 82.89 553 98.41 98.41 1.30e-35 . . . . 10047 1 15 no REF NP_898997 . "homeobox and leucine zipper protein Homez [Mus musculus]" . . . . . 82.89 518 98.41 98.41 1.26e-35 . . . . 10047 1 16 no REF XP_001102279 . "PREDICTED: homeobox and leucine zipper protein Homez-like isoform 1 [Macaca mulatta]" . . . . . 82.89 549 100.00 100.00 1.98e-36 . . . . 10047 1 17 no SP Q80W88 . "RecName: Full=Homeobox and leucine zipper protein Homez; AltName: Full=Homeodomain leucine zipper-containing factor" . . . . . 82.89 542 98.41 98.41 1.47e-35 . . . . 10047 1 18 no SP Q8IX15 . "RecName: Full=Homeobox and leucine zipper protein Homez; AltName: Full=Homeodomain leucine zipper-containing factor" . . . . . 82.89 550 100.00 100.00 2.05e-36 . . . . 10047 1 19 no SP Q8K3E9 . "RecName: Full=Homeobox and leucine zipper protein Homez; AltName: Full=Homeodomain leucine zipper-containing factor" . . . . . 82.89 513 98.41 98.41 1.12e-35 . . . . 10047 1 20 no TPG DAA25845 . "TPA: homeobox and leucine zipper encoding [Bos taurus]" . . . . . 82.89 539 98.41 98.41 1.09e-35 . . . . 10047 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'homeobox domain' . 10047 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 . 10047 1 2 . SER . 10047 1 3 . SER . 10047 1 4 . GLY . 10047 1 5 . SER . 10047 1 6 . SER . 10047 1 7 . GLY . 10047 1 8 . LYS . 10047 1 9 . ARG . 10047 1 10 . LYS . 10047 1 11 . THR . 10047 1 12 . LYS . 10047 1 13 . GLU . 10047 1 14 . GLN . 10047 1 15 . LEU . 10047 1 16 . ALA . 10047 1 17 . ILE . 10047 1 18 . LEU . 10047 1 19 . LYS . 10047 1 20 . SER . 10047 1 21 . PHE . 10047 1 22 . PHE . 10047 1 23 . LEU . 10047 1 24 . GLN . 10047 1 25 . CYS . 10047 1 26 . GLN . 10047 1 27 . TRP . 10047 1 28 . ALA . 10047 1 29 . ARG . 10047 1 30 . ARG . 10047 1 31 . GLU . 10047 1 32 . ASP . 10047 1 33 . TYR . 10047 1 34 . GLN . 10047 1 35 . LYS . 10047 1 36 . LEU . 10047 1 37 . GLU . 10047 1 38 . GLN . 10047 1 39 . ILE . 10047 1 40 . THR . 10047 1 41 . GLY . 10047 1 42 . LEU . 10047 1 43 . PRO . 10047 1 44 . ARG . 10047 1 45 . PRO . 10047 1 46 . GLU . 10047 1 47 . ILE . 10047 1 48 . ILE . 10047 1 49 . GLN . 10047 1 50 . TRP . 10047 1 51 . PHE . 10047 1 52 . GLY . 10047 1 53 . ASP . 10047 1 54 . THR . 10047 1 55 . ARG . 10047 1 56 . TYR . 10047 1 57 . ALA . 10047 1 58 . LEU . 10047 1 59 . LYS . 10047 1 60 . HIS . 10047 1 61 . GLY . 10047 1 62 . GLN . 10047 1 63 . LEU . 10047 1 64 . LYS . 10047 1 65 . TRP . 10047 1 66 . PHE . 10047 1 67 . ARG . 10047 1 68 . ASP . 10047 1 69 . ASN . 10047 1 70 . ALA . 10047 1 71 . SER . 10047 1 72 . GLY . 10047 1 73 . PRO . 10047 1 74 . SER . 10047 1 75 . SER . 10047 1 76 . GLY . 10047 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 10047 1 . SER 2 2 10047 1 . SER 3 3 10047 1 . GLY 4 4 10047 1 . SER 5 5 10047 1 . SER 6 6 10047 1 . GLY 7 7 10047 1 . LYS 8 8 10047 1 . ARG 9 9 10047 1 . LYS 10 10 10047 1 . THR 11 11 10047 1 . LYS 12 12 10047 1 . GLU 13 13 10047 1 . GLN 14 14 10047 1 . LEU 15 15 10047 1 . ALA 16 16 10047 1 . ILE 17 17 10047 1 . LEU 18 18 10047 1 . LYS 19 19 10047 1 . SER 20 20 10047 1 . PHE 21 21 10047 1 . PHE 22 22 10047 1 . LEU 23 23 10047 1 . GLN 24 24 10047 1 . CYS 25 25 10047 1 . GLN 26 26 10047 1 . TRP 27 27 10047 1 . ALA 28 28 10047 1 . ARG 29 29 10047 1 . ARG 30 30 10047 1 . GLU 31 31 10047 1 . ASP 32 32 10047 1 . TYR 33 33 10047 1 . GLN 34 34 10047 1 . LYS 35 35 10047 1 . LEU 36 36 10047 1 . GLU 37 37 10047 1 . GLN 38 38 10047 1 . ILE 39 39 10047 1 . THR 40 40 10047 1 . GLY 41 41 10047 1 . LEU 42 42 10047 1 . PRO 43 43 10047 1 . ARG 44 44 10047 1 . PRO 45 45 10047 1 . GLU 46 46 10047 1 . ILE 47 47 10047 1 . ILE 48 48 10047 1 . GLN 49 49 10047 1 . TRP 50 50 10047 1 . PHE 51 51 10047 1 . GLY 52 52 10047 1 . ASP 53 53 10047 1 . THR 54 54 10047 1 . ARG 55 55 10047 1 . TYR 56 56 10047 1 . ALA 57 57 10047 1 . LEU 58 58 10047 1 . LYS 59 59 10047 1 . HIS 60 60 10047 1 . GLY 61 61 10047 1 . GLN 62 62 10047 1 . LEU 63 63 10047 1 . LYS 64 64 10047 1 . TRP 65 65 10047 1 . PHE 66 66 10047 1 . ARG 67 67 10047 1 . ASP 68 68 10047 1 . ASN 69 69 10047 1 . ALA 70 70 10047 1 . SER 71 71 10047 1 . GLY 72 72 10047 1 . PRO 73 73 10047 1 . SER 74 74 10047 1 . SER 75 75 10047 1 . GLY 76 76 10047 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 10047 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10047 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 10047 _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 . . P040126-87 . . . . . . 10047 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10047 _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-13C; U-15N]' . . 1 $entity_1 . . 1.14 . . mM . . . . 10047 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10047 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10047 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10047 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10047 1 6 H2O . . . . . . solvent 90 . . % . . . . 10047 1 7 D2O . . . . . . solvent 10 . . % . . . . 10047 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 10047 _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 10047 1 pH 7.0 0.05 pH 10047 1 pressure 1 0.001 atm 10047 1 temperature 298 0.1 K 10047 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10047 _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 . . 10047 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10047 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10047 _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.' . . 10047 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10047 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10047 _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.' . . 10047 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10047 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10047 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8998 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10047 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10047 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10047 _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.' . . 10047 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10047 5 'structure solution' 10047 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 10047 _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 10047 _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 . . . . . . . . . . . . . . . . 10047 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10047 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 10047 _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 10047 _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 10047 _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 . . . . . . . . . 10047 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10047 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10047 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 10047 _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 10047 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10047 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 3.986 0.030 . 1 . . . . 7 GLY HA2 . 10047 1 2 . 1 1 7 7 GLY HA3 H 1 3.986 0.030 . 1 . . . . 7 GLY HA3 . 10047 1 3 . 1 1 7 7 GLY C C 13 174.026 0.300 . 1 . . . . 7 GLY C . 10047 1 4 . 1 1 7 7 GLY CA C 13 45.368 0.300 . 1 . . . . 7 GLY CA . 10047 1 5 . 1 1 8 8 LYS H H 1 8.246 0.030 . 1 . . . . 8 LYS H . 10047 1 6 . 1 1 8 8 LYS HA H 1 4.347 0.030 . 1 . . . . 8 LYS HA . 10047 1 7 . 1 1 8 8 LYS HB2 H 1 1.760 0.030 . 2 . . . . 8 LYS HB2 . 10047 1 8 . 1 1 8 8 LYS HB3 H 1 1.847 0.030 . 2 . . . . 8 LYS HB3 . 10047 1 9 . 1 1 8 8 LYS HG2 H 1 1.454 0.030 . 1 . . . . 8 LYS HG2 . 10047 1 10 . 1 1 8 8 LYS HG3 H 1 1.454 0.030 . 1 . . . . 8 LYS HG3 . 10047 1 11 . 1 1 8 8 LYS HD2 H 1 1.707 0.030 . 1 . . . . 8 LYS HD2 . 10047 1 12 . 1 1 8 8 LYS HD3 H 1 1.707 0.030 . 1 . . . . 8 LYS HD3 . 10047 1 13 . 1 1 8 8 LYS HE2 H 1 3.023 0.030 . 1 . . . . 8 LYS HE2 . 10047 1 14 . 1 1 8 8 LYS HE3 H 1 3.023 0.030 . 1 . . . . 8 LYS HE3 . 10047 1 15 . 1 1 8 8 LYS C C 13 176.738 0.300 . 1 . . . . 8 LYS C . 10047 1 16 . 1 1 8 8 LYS CA C 13 56.209 0.300 . 1 . . . . 8 LYS CA . 10047 1 17 . 1 1 8 8 LYS CB C 13 33.044 0.300 . 1 . . . . 8 LYS CB . 10047 1 18 . 1 1 8 8 LYS CG C 13 24.884 0.300 . 1 . . . . 8 LYS CG . 10047 1 19 . 1 1 8 8 LYS CD C 13 29.206 0.300 . 1 . . . . 8 LYS CD . 10047 1 20 . 1 1 8 8 LYS CE C 13 42.314 0.300 . 1 . . . . 8 LYS CE . 10047 1 21 . 1 1 8 8 LYS N N 15 121.136 0.300 . 1 . . . . 8 LYS N . 10047 1 22 . 1 1 9 9 ARG H H 1 8.397 0.030 . 1 . . . . 9 ARG H . 10047 1 23 . 1 1 9 9 ARG HA H 1 4.390 0.030 . 1 . . . . 9 ARG HA . 10047 1 24 . 1 1 9 9 ARG HB2 H 1 1.794 0.030 . 2 . . . . 9 ARG HB2 . 10047 1 25 . 1 1 9 9 ARG HB3 H 1 1.869 0.030 . 2 . . . . 9 ARG HB3 . 10047 1 26 . 1 1 9 9 ARG HG2 H 1 1.679 0.030 . 1 . . . . 9 ARG HG2 . 10047 1 27 . 1 1 9 9 ARG HG3 H 1 1.679 0.030 . 1 . . . . 9 ARG HG3 . 10047 1 28 . 1 1 9 9 ARG HD2 H 1 3.212 0.030 . 1 . . . . 9 ARG HD2 . 10047 1 29 . 1 1 9 9 ARG HD3 H 1 3.212 0.030 . 1 . . . . 9 ARG HD3 . 10047 1 30 . 1 1 9 9 ARG C C 13 176.608 0.300 . 1 . . . . 9 ARG C . 10047 1 31 . 1 1 9 9 ARG CA C 13 56.176 0.300 . 1 . . . . 9 ARG CA . 10047 1 32 . 1 1 9 9 ARG CB C 13 30.999 0.300 . 1 . . . . 9 ARG CB . 10047 1 33 . 1 1 9 9 ARG CG C 13 27.115 0.300 . 1 . . . . 9 ARG CG . 10047 1 34 . 1 1 9 9 ARG CD C 13 43.569 0.300 . 1 . . . . 9 ARG CD . 10047 1 35 . 1 1 9 9 ARG N N 15 123.255 0.300 . 1 . . . . 9 ARG N . 10047 1 36 . 1 1 10 10 LYS H H 1 8.459 0.030 . 1 . . . . 10 LYS H . 10047 1 37 . 1 1 10 10 LYS HA H 1 4.632 0.030 . 1 . . . . 10 LYS HA . 10047 1 38 . 1 1 10 10 LYS HB2 H 1 1.747 0.030 . 2 . . . . 10 LYS HB2 . 10047 1 39 . 1 1 10 10 LYS HB3 H 1 1.652 0.030 . 2 . . . . 10 LYS HB3 . 10047 1 40 . 1 1 10 10 LYS HG2 H 1 1.353 0.030 . 2 . . . . 10 LYS HG2 . 10047 1 41 . 1 1 10 10 LYS HG3 H 1 1.634 0.030 . 2 . . . . 10 LYS HG3 . 10047 1 42 . 1 1 10 10 LYS HD2 H 1 1.595 0.030 . 2 . . . . 10 LYS HD2 . 10047 1 43 . 1 1 10 10 LYS HD3 H 1 1.335 0.030 . 2 . . . . 10 LYS HD3 . 10047 1 44 . 1 1 10 10 LYS HE2 H 1 2.719 0.030 . 2 . . . . 10 LYS HE2 . 10047 1 45 . 1 1 10 10 LYS HE3 H 1 2.945 0.030 . 2 . . . . 10 LYS HE3 . 10047 1 46 . 1 1 10 10 LYS C C 13 176.914 0.300 . 1 . . . . 10 LYS C . 10047 1 47 . 1 1 10 10 LYS CA C 13 56.036 0.300 . 1 . . . . 10 LYS CA . 10047 1 48 . 1 1 10 10 LYS CB C 13 34.184 0.300 . 1 . . . . 10 LYS CB . 10047 1 49 . 1 1 10 10 LYS CG C 13 25.232 0.300 . 1 . . . . 10 LYS CG . 10047 1 50 . 1 1 10 10 LYS CD C 13 29.555 0.300 . 1 . . . . 10 LYS CD . 10047 1 51 . 1 1 10 10 LYS CE C 13 41.338 0.300 . 1 . . . . 10 LYS CE . 10047 1 52 . 1 1 10 10 LYS N N 15 123.600 0.300 . 1 . . . . 10 LYS N . 10047 1 53 . 1 1 11 11 THR H H 1 8.874 0.030 . 1 . . . . 11 THR H . 10047 1 54 . 1 1 11 11 THR HA H 1 4.423 0.030 . 1 . . . . 11 THR HA . 10047 1 55 . 1 1 11 11 THR HB H 1 4.759 0.030 . 1 . . . . 11 THR HB . 10047 1 56 . 1 1 11 11 THR HG21 H 1 1.303 0.030 . 1 . . . . 11 THR HG2 . 10047 1 57 . 1 1 11 11 THR HG22 H 1 1.303 0.030 . 1 . . . . 11 THR HG2 . 10047 1 58 . 1 1 11 11 THR HG23 H 1 1.303 0.030 . 1 . . . . 11 THR HG2 . 10047 1 59 . 1 1 11 11 THR C C 13 175.438 0.300 . 1 . . . . 11 THR C . 10047 1 60 . 1 1 11 11 THR CA C 13 60.705 0.300 . 1 . . . . 11 THR CA . 10047 1 61 . 1 1 11 11 THR CB C 13 71.138 0.300 . 1 . . . . 11 THR CB . 10047 1 62 . 1 1 11 11 THR CG2 C 13 21.886 0.300 . 1 . . . . 11 THR CG2 . 10047 1 63 . 1 1 11 11 THR N N 15 113.530 0.300 . 1 . . . . 11 THR N . 10047 1 64 . 1 1 12 12 LYS H H 1 8.935 0.030 . 1 . . . . 12 LYS H . 10047 1 65 . 1 1 12 12 LYS HA H 1 3.954 0.030 . 1 . . . . 12 LYS HA . 10047 1 66 . 1 1 12 12 LYS HB2 H 1 1.919 0.030 . 2 . . . . 12 LYS HB2 . 10047 1 67 . 1 1 12 12 LYS HB3 H 1 1.806 0.030 . 2 . . . . 12 LYS HB3 . 10047 1 68 . 1 1 12 12 LYS HG2 H 1 1.509 0.030 . 2 . . . . 12 LYS HG2 . 10047 1 69 . 1 1 12 12 LYS HG3 H 1 1.450 0.030 . 2 . . . . 12 LYS HG3 . 10047 1 70 . 1 1 12 12 LYS HD2 H 1 1.709 0.030 . 1 . . . . 12 LYS HD2 . 10047 1 71 . 1 1 12 12 LYS HD3 H 1 1.709 0.030 . 1 . . . . 12 LYS HD3 . 10047 1 72 . 1 1 12 12 LYS HE2 H 1 3.015 0.030 . 1 . . . . 12 LYS HE2 . 10047 1 73 . 1 1 12 12 LYS HE3 H 1 3.015 0.030 . 1 . . . . 12 LYS HE3 . 10047 1 74 . 1 1 12 12 LYS C C 13 179.330 0.300 . 1 . . . . 12 LYS C . 10047 1 75 . 1 1 12 12 LYS CA C 13 59.852 0.300 . 1 . . . . 12 LYS CA . 10047 1 76 . 1 1 12 12 LYS CB C 13 32.080 0.300 . 1 . . . . 12 LYS CB . 10047 1 77 . 1 1 12 12 LYS CG C 13 24.884 0.300 . 1 . . . . 12 LYS CG . 10047 1 78 . 1 1 12 12 LYS CD C 13 29.485 0.300 . 1 . . . . 12 LYS CD . 10047 1 79 . 1 1 12 12 LYS CE C 13 42.105 0.300 . 1 . . . . 12 LYS CE . 10047 1 80 . 1 1 12 12 LYS N N 15 120.786 0.300 . 1 . . . . 12 LYS N . 10047 1 81 . 1 1 13 13 GLU H H 1 8.741 0.030 . 1 . . . . 13 GLU H . 10047 1 82 . 1 1 13 13 GLU HA H 1 4.037 0.030 . 1 . . . . 13 GLU HA . 10047 1 83 . 1 1 13 13 GLU HB2 H 1 2.099 0.030 . 2 . . . . 13 GLU HB2 . 10047 1 84 . 1 1 13 13 GLU HB3 H 1 1.926 0.030 . 2 . . . . 13 GLU HB3 . 10047 1 85 . 1 1 13 13 GLU HG2 H 1 2.480 0.030 . 2 . . . . 13 GLU HG2 . 10047 1 86 . 1 1 13 13 GLU HG3 H 1 2.247 0.030 . 2 . . . . 13 GLU HG3 . 10047 1 87 . 1 1 13 13 GLU C C 13 179.392 0.300 . 1 . . . . 13 GLU C . 10047 1 88 . 1 1 13 13 GLU CA C 13 60.440 0.300 . 1 . . . . 13 GLU CA . 10047 1 89 . 1 1 13 13 GLU CB C 13 28.977 0.300 . 1 . . . . 13 GLU CB . 10047 1 90 . 1 1 13 13 GLU CG C 13 37.364 0.300 . 1 . . . . 13 GLU CG . 10047 1 91 . 1 1 13 13 GLU N N 15 119.595 0.300 . 1 . . . . 13 GLU N . 10047 1 92 . 1 1 14 14 GLN H H 1 7.758 0.030 . 1 . . . . 14 GLN H . 10047 1 93 . 1 1 14 14 GLN HA H 1 3.765 0.030 . 1 . . . . 14 GLN HA . 10047 1 94 . 1 1 14 14 GLN HB2 H 1 2.479 0.030 . 2 . . . . 14 GLN HB2 . 10047 1 95 . 1 1 14 14 GLN HB3 H 1 1.446 0.030 . 2 . . . . 14 GLN HB3 . 10047 1 96 . 1 1 14 14 GLN HG2 H 1 2.433 0.030 . 2 . . . . 14 GLN HG2 . 10047 1 97 . 1 1 14 14 GLN HG3 H 1 2.676 0.030 . 2 . . . . 14 GLN HG3 . 10047 1 98 . 1 1 14 14 GLN HE21 H 1 7.626 0.030 . 2 . . . . 14 GLN HE21 . 10047 1 99 . 1 1 14 14 GLN HE22 H 1 6.794 0.030 . 2 . . . . 14 GLN HE22 . 10047 1 100 . 1 1 14 14 GLN C C 13 178.230 0.300 . 1 . . . . 14 GLN C . 10047 1 101 . 1 1 14 14 GLN CA C 13 59.352 0.300 . 1 . . . . 14 GLN CA . 10047 1 102 . 1 1 14 14 GLN CB C 13 28.494 0.300 . 1 . . . . 14 GLN CB . 10047 1 103 . 1 1 14 14 GLN CG C 13 34.784 0.300 . 1 . . . . 14 GLN CG . 10047 1 104 . 1 1 14 14 GLN N N 15 118.924 0.300 . 1 . . . . 14 GLN N . 10047 1 105 . 1 1 14 14 GLN NE2 N 15 110.422 0.300 . 1 . . . . 14 GLN NE2 . 10047 1 106 . 1 1 15 15 LEU H H 1 8.289 0.030 . 1 . . . . 15 LEU H . 10047 1 107 . 1 1 15 15 LEU HA H 1 3.586 0.030 . 1 . . . . 15 LEU HA . 10047 1 108 . 1 1 15 15 LEU HB2 H 1 1.674 0.030 . 2 . . . . 15 LEU HB2 . 10047 1 109 . 1 1 15 15 LEU HB3 H 1 1.313 0.030 . 2 . . . . 15 LEU HB3 . 10047 1 110 . 1 1 15 15 LEU HG H 1 1.474 0.030 . 1 . . . . 15 LEU HG . 10047 1 111 . 1 1 15 15 LEU HD11 H 1 0.855 0.030 . 1 . . . . 15 LEU HD1 . 10047 1 112 . 1 1 15 15 LEU HD12 H 1 0.855 0.030 . 1 . . . . 15 LEU HD1 . 10047 1 113 . 1 1 15 15 LEU HD13 H 1 0.855 0.030 . 1 . . . . 15 LEU HD1 . 10047 1 114 . 1 1 15 15 LEU HD21 H 1 0.830 0.030 . 1 . . . . 15 LEU HD2 . 10047 1 115 . 1 1 15 15 LEU HD22 H 1 0.830 0.030 . 1 . . . . 15 LEU HD2 . 10047 1 116 . 1 1 15 15 LEU HD23 H 1 0.830 0.030 . 1 . . . . 15 LEU HD2 . 10047 1 117 . 1 1 15 15 LEU C C 13 178.091 0.300 . 1 . . . . 15 LEU C . 10047 1 118 . 1 1 15 15 LEU CA C 13 57.571 0.300 . 1 . . . . 15 LEU CA . 10047 1 119 . 1 1 15 15 LEU CB C 13 41.973 0.300 . 1 . . . . 15 LEU CB . 10047 1 120 . 1 1 15 15 LEU CG C 13 27.092 0.300 . 1 . . . . 15 LEU CG . 10047 1 121 . 1 1 15 15 LEU CD1 C 13 25.023 0.300 . 2 . . . . 15 LEU CD1 . 10047 1 122 . 1 1 15 15 LEU CD2 C 13 23.628 0.300 . 2 . . . . 15 LEU CD2 . 10047 1 123 . 1 1 15 15 LEU N N 15 117.175 0.300 . 1 . . . . 15 LEU N . 10047 1 124 . 1 1 16 16 ALA H H 1 7.975 0.030 . 1 . . . . 16 ALA H . 10047 1 125 . 1 1 16 16 ALA HA H 1 3.900 0.030 . 1 . . . . 16 ALA HA . 10047 1 126 . 1 1 16 16 ALA HB1 H 1 1.449 0.030 . 1 . . . . 16 ALA HB . 10047 1 127 . 1 1 16 16 ALA HB2 H 1 1.449 0.030 . 1 . . . . 16 ALA HB . 10047 1 128 . 1 1 16 16 ALA HB3 H 1 1.449 0.030 . 1 . . . . 16 ALA HB . 10047 1 129 . 1 1 16 16 ALA C C 13 180.935 0.300 . 1 . . . . 16 ALA C . 10047 1 130 . 1 1 16 16 ALA CA C 13 55.247 0.300 . 1 . . . . 16 ALA CA . 10047 1 131 . 1 1 16 16 ALA CB C 13 18.015 0.300 . 1 . . . . 16 ALA CB . 10047 1 132 . 1 1 16 16 ALA N N 15 120.639 0.300 . 1 . . . . 16 ALA N . 10047 1 133 . 1 1 17 17 ILE H H 1 7.308 0.030 . 1 . . . . 17 ILE H . 10047 1 134 . 1 1 17 17 ILE HA H 1 3.736 0.030 . 1 . . . . 17 ILE HA . 10047 1 135 . 1 1 17 17 ILE HB H 1 1.828 0.030 . 1 . . . . 17 ILE HB . 10047 1 136 . 1 1 17 17 ILE HG12 H 1 1.701 0.030 . 2 . . . . 17 ILE HG12 . 10047 1 137 . 1 1 17 17 ILE HG13 H 1 1.234 0.030 . 2 . . . . 17 ILE HG13 . 10047 1 138 . 1 1 17 17 ILE HG21 H 1 0.804 0.030 . 1 . . . . 17 ILE HG2 . 10047 1 139 . 1 1 17 17 ILE HG22 H 1 0.804 0.030 . 1 . . . . 17 ILE HG2 . 10047 1 140 . 1 1 17 17 ILE HG23 H 1 0.804 0.030 . 1 . . . . 17 ILE HG2 . 10047 1 141 . 1 1 17 17 ILE HD11 H 1 0.802 0.030 . 1 . . . . 17 ILE HD1 . 10047 1 142 . 1 1 17 17 ILE HD12 H 1 0.802 0.030 . 1 . . . . 17 ILE HD1 . 10047 1 143 . 1 1 17 17 ILE HD13 H 1 0.802 0.030 . 1 . . . . 17 ILE HD1 . 10047 1 144 . 1 1 17 17 ILE C C 13 178.617 0.300 . 1 . . . . 17 ILE C . 10047 1 145 . 1 1 17 17 ILE CA C 13 64.046 0.300 . 1 . . . . 17 ILE CA . 10047 1 146 . 1 1 17 17 ILE CB C 13 37.891 0.300 . 1 . . . . 17 ILE CB . 10047 1 147 . 1 1 17 17 ILE CG1 C 13 28.718 0.300 . 1 . . . . 17 ILE CG1 . 10047 1 148 . 1 1 17 17 ILE CG2 C 13 17.633 0.300 . 1 . . . . 17 ILE CG2 . 10047 1 149 . 1 1 17 17 ILE CD1 C 13 12.961 0.300 . 1 . . . . 17 ILE CD1 . 10047 1 150 . 1 1 17 17 ILE N N 15 119.172 0.300 . 1 . . . . 17 ILE N . 10047 1 151 . 1 1 18 18 LEU H H 1 7.534 0.030 . 1 . . . . 18 LEU H . 10047 1 152 . 1 1 18 18 LEU HA H 1 3.622 0.030 . 1 . . . . 18 LEU HA . 10047 1 153 . 1 1 18 18 LEU HB2 H 1 -0.529 0.030 . 2 . . . . 18 LEU HB2 . 10047 1 154 . 1 1 18 18 LEU HB3 H 1 0.719 0.030 . 2 . . . . 18 LEU HB3 . 10047 1 155 . 1 1 18 18 LEU HG H 1 1.368 0.030 . 1 . . . . 18 LEU HG . 10047 1 156 . 1 1 18 18 LEU HD11 H 1 -0.297 0.030 . 1 . . . . 18 LEU HD1 . 10047 1 157 . 1 1 18 18 LEU HD12 H 1 -0.297 0.030 . 1 . . . . 18 LEU HD1 . 10047 1 158 . 1 1 18 18 LEU HD13 H 1 -0.297 0.030 . 1 . . . . 18 LEU HD1 . 10047 1 159 . 1 1 18 18 LEU HD21 H 1 0.550 0.030 . 1 . . . . 18 LEU HD2 . 10047 1 160 . 1 1 18 18 LEU HD22 H 1 0.550 0.030 . 1 . . . . 18 LEU HD2 . 10047 1 161 . 1 1 18 18 LEU HD23 H 1 0.550 0.030 . 1 . . . . 18 LEU HD2 . 10047 1 162 . 1 1 18 18 LEU C C 13 178.036 0.300 . 1 . . . . 18 LEU C . 10047 1 163 . 1 1 18 18 LEU CA C 13 58.491 0.300 . 1 . . . . 18 LEU CA . 10047 1 164 . 1 1 18 18 LEU CB C 13 38.492 0.300 . 1 . . . . 18 LEU CB . 10047 1 165 . 1 1 18 18 LEU CG C 13 25.818 0.300 . 1 . . . . 18 LEU CG . 10047 1 166 . 1 1 18 18 LEU CD1 C 13 23.768 0.300 . 2 . . . . 18 LEU CD1 . 10047 1 167 . 1 1 18 18 LEU CD2 C 13 22.931 0.300 . 2 . . . . 18 LEU CD2 . 10047 1 168 . 1 1 18 18 LEU N N 15 120.984 0.300 . 1 . . . . 18 LEU N . 10047 1 169 . 1 1 19 19 LYS H H 1 8.426 0.030 . 1 . . . . 19 LYS H . 10047 1 170 . 1 1 19 19 LYS HA H 1 3.881 0.030 . 1 . . . . 19 LYS HA . 10047 1 171 . 1 1 19 19 LYS HB2 H 1 1.462 0.030 . 2 . . . . 19 LYS HB2 . 10047 1 172 . 1 1 19 19 LYS HB3 H 1 1.236 0.030 . 2 . . . . 19 LYS HB3 . 10047 1 173 . 1 1 19 19 LYS HG2 H 1 0.948 0.030 . 2 . . . . 19 LYS HG2 . 10047 1 174 . 1 1 19 19 LYS HG3 H 1 0.022 0.030 . 2 . . . . 19 LYS HG3 . 10047 1 175 . 1 1 19 19 LYS HD2 H 1 0.882 0.030 . 2 . . . . 19 LYS HD2 . 10047 1 176 . 1 1 19 19 LYS HD3 H 1 0.738 0.030 . 2 . . . . 19 LYS HD3 . 10047 1 177 . 1 1 19 19 LYS HE2 H 1 1.877 0.030 . 2 . . . . 19 LYS HE2 . 10047 1 178 . 1 1 19 19 LYS HE3 H 1 1.844 0.030 . 2 . . . . 19 LYS HE3 . 10047 1 179 . 1 1 19 19 LYS C C 13 178.154 0.300 . 1 . . . . 19 LYS C . 10047 1 180 . 1 1 19 19 LYS CA C 13 60.587 0.300 . 1 . . . . 19 LYS CA . 10047 1 181 . 1 1 19 19 LYS CB C 13 32.941 0.300 . 1 . . . . 19 LYS CB . 10047 1 182 . 1 1 19 19 LYS CG C 13 25.023 0.300 . 1 . . . . 19 LYS CG . 10047 1 183 . 1 1 19 19 LYS CD C 13 29.694 0.300 . 1 . . . . 19 LYS CD . 10047 1 184 . 1 1 19 19 LYS CE C 13 41.338 0.300 . 1 . . . . 19 LYS CE . 10047 1 185 . 1 1 19 19 LYS N N 15 117.578 0.300 . 1 . . . . 19 LYS N . 10047 1 186 . 1 1 20 20 SER H H 1 7.719 0.030 . 1 . . . . 20 SER H . 10047 1 187 . 1 1 20 20 SER HA H 1 4.199 0.030 . 1 . . . . 20 SER HA . 10047 1 188 . 1 1 20 20 SER HB2 H 1 4.030 0.030 . 1 . . . . 20 SER HB2 . 10047 1 189 . 1 1 20 20 SER HB3 H 1 4.030 0.030 . 1 . . . . 20 SER HB3 . 10047 1 190 . 1 1 20 20 SER C C 13 177.400 0.300 . 1 . . . . 20 SER C . 10047 1 191 . 1 1 20 20 SER CA C 13 62.030 0.300 . 1 . . . . 20 SER CA . 10047 1 192 . 1 1 20 20 SER CB C 13 62.796 0.300 . 1 . . . . 20 SER CB . 10047 1 193 . 1 1 20 20 SER N N 15 111.820 0.300 . 1 . . . . 20 SER N . 10047 1 194 . 1 1 21 21 PHE H H 1 8.130 0.030 . 1 . . . . 21 PHE H . 10047 1 195 . 1 1 21 21 PHE HA H 1 4.241 0.030 . 1 . . . . 21 PHE HA . 10047 1 196 . 1 1 21 21 PHE HB2 H 1 3.570 0.030 . 2 . . . . 21 PHE HB2 . 10047 1 197 . 1 1 21 21 PHE HB3 H 1 3.299 0.030 . 2 . . . . 21 PHE HB3 . 10047 1 198 . 1 1 21 21 PHE HD1 H 1 7.539 0.030 . 1 . . . . 21 PHE HD1 . 10047 1 199 . 1 1 21 21 PHE HD2 H 1 7.539 0.030 . 1 . . . . 21 PHE HD2 . 10047 1 200 . 1 1 21 21 PHE HE1 H 1 7.317 0.030 . 1 . . . . 21 PHE HE1 . 10047 1 201 . 1 1 21 21 PHE HE2 H 1 7.317 0.030 . 1 . . . . 21 PHE HE2 . 10047 1 202 . 1 1 21 21 PHE HZ H 1 7.280 0.030 . 1 . . . . 21 PHE HZ . 10047 1 203 . 1 1 21 21 PHE C C 13 177.949 0.300 . 1 . . . . 21 PHE C . 10047 1 204 . 1 1 21 21 PHE CA C 13 61.946 0.300 . 1 . . . . 21 PHE CA . 10047 1 205 . 1 1 21 21 PHE CB C 13 39.526 0.300 . 1 . . . . 21 PHE CB . 10047 1 206 . 1 1 21 21 PHE CD1 C 13 132.765 0.300 . 1 . . . . 21 PHE CD1 . 10047 1 207 . 1 1 21 21 PHE CD2 C 13 132.765 0.300 . 1 . . . . 21 PHE CD2 . 10047 1 208 . 1 1 21 21 PHE CE1 C 13 131.304 0.300 . 1 . . . . 21 PHE CE1 . 10047 1 209 . 1 1 21 21 PHE CE2 C 13 131.304 0.300 . 1 . . . . 21 PHE CE2 . 10047 1 210 . 1 1 21 21 PHE CZ C 13 129.512 0.300 . 1 . . . . 21 PHE CZ . 10047 1 211 . 1 1 21 21 PHE N N 15 121.877 0.300 . 1 . . . . 21 PHE N . 10047 1 212 . 1 1 22 22 PHE H H 1 9.176 0.030 . 1 . . . . 22 PHE H . 10047 1 213 . 1 1 22 22 PHE HA H 1 4.815 0.030 . 1 . . . . 22 PHE HA . 10047 1 214 . 1 1 22 22 PHE HB2 H 1 3.712 0.030 . 2 . . . . 22 PHE HB2 . 10047 1 215 . 1 1 22 22 PHE HB3 H 1 3.644 0.030 . 2 . . . . 22 PHE HB3 . 10047 1 216 . 1 1 22 22 PHE HD1 H 1 7.338 0.030 . 1 . . . . 22 PHE HD1 . 10047 1 217 . 1 1 22 22 PHE HD2 H 1 7.338 0.030 . 1 . . . . 22 PHE HD2 . 10047 1 218 . 1 1 22 22 PHE HE1 H 1 7.039 0.030 . 1 . . . . 22 PHE HE1 . 10047 1 219 . 1 1 22 22 PHE HE2 H 1 7.039 0.030 . 1 . . . . 22 PHE HE2 . 10047 1 220 . 1 1 22 22 PHE HZ H 1 6.624 0.030 . 1 . . . . 22 PHE HZ . 10047 1 221 . 1 1 22 22 PHE C C 13 176.424 0.300 . 1 . . . . 22 PHE C . 10047 1 222 . 1 1 22 22 PHE CA C 13 60.985 0.300 . 1 . . . . 22 PHE CA . 10047 1 223 . 1 1 22 22 PHE CB C 13 40.733 0.300 . 1 . . . . 22 PHE CB . 10047 1 224 . 1 1 22 22 PHE CD1 C 13 132.851 0.300 . 1 . . . . 22 PHE CD1 . 10047 1 225 . 1 1 22 22 PHE CD2 C 13 132.851 0.300 . 1 . . . . 22 PHE CD2 . 10047 1 226 . 1 1 22 22 PHE CE1 C 13 131.182 0.300 . 1 . . . . 22 PHE CE1 . 10047 1 227 . 1 1 22 22 PHE CE2 C 13 131.182 0.300 . 1 . . . . 22 PHE CE2 . 10047 1 228 . 1 1 22 22 PHE CZ C 13 128.936 0.300 . 1 . . . . 22 PHE CZ . 10047 1 229 . 1 1 22 22 PHE N N 15 122.548 0.300 . 1 . . . . 22 PHE N . 10047 1 230 . 1 1 23 23 LEU H H 1 8.391 0.030 . 1 . . . . 23 LEU H . 10047 1 231 . 1 1 23 23 LEU HA H 1 4.140 0.030 . 1 . . . . 23 LEU HA . 10047 1 232 . 1 1 23 23 LEU HB2 H 1 2.026 0.030 . 2 . . . . 23 LEU HB2 . 10047 1 233 . 1 1 23 23 LEU HB3 H 1 1.556 0.030 . 2 . . . . 23 LEU HB3 . 10047 1 234 . 1 1 23 23 LEU HG H 1 2.294 0.030 . 1 . . . . 23 LEU HG . 10047 1 235 . 1 1 23 23 LEU HD11 H 1 1.046 0.030 . 1 . . . . 23 LEU HD1 . 10047 1 236 . 1 1 23 23 LEU HD12 H 1 1.046 0.030 . 1 . . . . 23 LEU HD1 . 10047 1 237 . 1 1 23 23 LEU HD13 H 1 1.046 0.030 . 1 . . . . 23 LEU HD1 . 10047 1 238 . 1 1 23 23 LEU HD21 H 1 1.058 0.030 . 1 . . . . 23 LEU HD2 . 10047 1 239 . 1 1 23 23 LEU HD22 H 1 1.058 0.030 . 1 . . . . 23 LEU HD2 . 10047 1 240 . 1 1 23 23 LEU HD23 H 1 1.058 0.030 . 1 . . . . 23 LEU HD2 . 10047 1 241 . 1 1 23 23 LEU C C 13 178.310 0.300 . 1 . . . . 23 LEU C . 10047 1 242 . 1 1 23 23 LEU CA C 13 57.806 0.300 . 1 . . . . 23 LEU CA . 10047 1 243 . 1 1 23 23 LEU CB C 13 42.491 0.300 . 1 . . . . 23 LEU CB . 10047 1 244 . 1 1 23 23 LEU CG C 13 27.516 0.300 . 1 . . . . 23 LEU CG . 10047 1 245 . 1 1 23 23 LEU CD1 C 13 25.860 0.300 . 2 . . . . 23 LEU CD1 . 10047 1 246 . 1 1 23 23 LEU CD2 C 13 23.915 0.300 . 2 . . . . 23 LEU CD2 . 10047 1 247 . 1 1 23 23 LEU N N 15 114.934 0.300 . 1 . . . . 23 LEU N . 10047 1 248 . 1 1 24 24 GLN H H 1 7.395 0.030 . 1 . . . . 24 GLN H . 10047 1 249 . 1 1 24 24 GLN HA H 1 4.346 0.030 . 1 . . . . 24 GLN HA . 10047 1 250 . 1 1 24 24 GLN HB2 H 1 2.077 0.030 . 1 . . . . 24 GLN HB2 . 10047 1 251 . 1 1 24 24 GLN HB3 H 1 2.077 0.030 . 1 . . . . 24 GLN HB3 . 10047 1 252 . 1 1 24 24 GLN HG2 H 1 2.309 0.030 . 2 . . . . 24 GLN HG2 . 10047 1 253 . 1 1 24 24 GLN HG3 H 1 2.420 0.030 . 2 . . . . 24 GLN HG3 . 10047 1 254 . 1 1 24 24 GLN HE21 H 1 6.650 0.030 . 2 . . . . 24 GLN HE21 . 10047 1 255 . 1 1 24 24 GLN HE22 H 1 7.288 0.030 . 2 . . . . 24 GLN HE22 . 10047 1 256 . 1 1 24 24 GLN C C 13 176.489 0.300 . 1 . . . . 24 GLN C . 10047 1 257 . 1 1 24 24 GLN CA C 13 56.555 0.300 . 1 . . . . 24 GLN CA . 10047 1 258 . 1 1 24 24 GLN CB C 13 29.770 0.300 . 1 . . . . 24 GLN CB . 10047 1 259 . 1 1 24 24 GLN CG C 13 33.738 0.300 . 1 . . . . 24 GLN CG . 10047 1 260 . 1 1 24 24 GLN N N 15 115.187 0.300 . 1 . . . . 24 GLN N . 10047 1 261 . 1 1 24 24 GLN NE2 N 15 111.993 0.300 . 1 . . . . 24 GLN NE2 . 10047 1 262 . 1 1 25 25 CYS H H 1 8.399 0.030 . 1 . . . . 25 CYS H . 10047 1 263 . 1 1 25 25 CYS HA H 1 4.312 0.030 . 1 . . . . 25 CYS HA . 10047 1 264 . 1 1 25 25 CYS HB2 H 1 2.722 0.030 . 2 . . . . 25 CYS HB2 . 10047 1 265 . 1 1 25 25 CYS HB3 H 1 2.412 0.030 . 2 . . . . 25 CYS HB3 . 10047 1 266 . 1 1 25 25 CYS C C 13 172.107 0.300 . 1 . . . . 25 CYS C . 10047 1 267 . 1 1 25 25 CYS CA C 13 59.352 0.300 . 1 . . . . 25 CYS CA . 10047 1 268 . 1 1 25 25 CYS CB C 13 27.814 0.300 . 1 . . . . 25 CYS CB . 10047 1 269 . 1 1 25 25 CYS N N 15 122.118 0.300 . 1 . . . . 25 CYS N . 10047 1 270 . 1 1 26 26 GLN H H 1 8.238 0.030 . 1 . . . . 26 GLN H . 10047 1 271 . 1 1 26 26 GLN HA H 1 3.893 0.030 . 1 . . . . 26 GLN HA . 10047 1 272 . 1 1 26 26 GLN HB2 H 1 1.556 0.030 . 1 . . . . 26 GLN HB2 . 10047 1 273 . 1 1 26 26 GLN HB3 H 1 1.556 0.030 . 1 . . . . 26 GLN HB3 . 10047 1 274 . 1 1 26 26 GLN HG2 H 1 1.395 0.030 . 2 . . . . 26 GLN HG2 . 10047 1 275 . 1 1 26 26 GLN HG3 H 1 1.268 0.030 . 2 . . . . 26 GLN HG3 . 10047 1 276 . 1 1 26 26 GLN HE21 H 1 7.770 0.030 . 2 . . . . 26 GLN HE21 . 10047 1 277 . 1 1 26 26 GLN HE22 H 1 6.750 0.030 . 2 . . . . 26 GLN HE22 . 10047 1 278 . 1 1 26 26 GLN C C 13 174.297 0.300 . 1 . . . . 26 GLN C . 10047 1 279 . 1 1 26 26 GLN CA C 13 57.879 0.300 . 1 . . . . 26 GLN CA . 10047 1 280 . 1 1 26 26 GLN CB C 13 28.132 0.300 . 1 . . . . 26 GLN CB . 10047 1 281 . 1 1 26 26 GLN CG C 13 35.202 0.300 . 1 . . . . 26 GLN CG . 10047 1 282 . 1 1 26 26 GLN N N 15 123.411 0.300 . 1 . . . . 26 GLN N . 10047 1 283 . 1 1 26 26 GLN NE2 N 15 112.854 0.300 . 1 . . . . 26 GLN NE2 . 10047 1 284 . 1 1 27 27 TRP H H 1 7.671 0.030 . 1 . . . . 27 TRP H . 10047 1 285 . 1 1 27 27 TRP HA H 1 4.614 0.030 . 1 . . . . 27 TRP HA . 10047 1 286 . 1 1 27 27 TRP HB2 H 1 3.221 0.030 . 2 . . . . 27 TRP HB2 . 10047 1 287 . 1 1 27 27 TRP HB3 H 1 2.965 0.030 . 2 . . . . 27 TRP HB3 . 10047 1 288 . 1 1 27 27 TRP HD1 H 1 7.222 0.030 . 1 . . . . 27 TRP HD1 . 10047 1 289 . 1 1 27 27 TRP HE1 H 1 10.133 0.030 . 1 . . . . 27 TRP HE1 . 10047 1 290 . 1 1 27 27 TRP HE3 H 1 7.691 0.030 . 1 . . . . 27 TRP HE3 . 10047 1 291 . 1 1 27 27 TRP HZ2 H 1 7.516 0.030 . 1 . . . . 27 TRP HZ2 . 10047 1 292 . 1 1 27 27 TRP HZ3 H 1 7.192 0.030 . 1 . . . . 27 TRP HZ3 . 10047 1 293 . 1 1 27 27 TRP HH2 H 1 7.256 0.030 . 1 . . . . 27 TRP HH2 . 10047 1 294 . 1 1 27 27 TRP C C 13 174.268 0.300 . 1 . . . . 27 TRP C . 10047 1 295 . 1 1 27 27 TRP CA C 13 55.811 0.300 . 1 . . . . 27 TRP CA . 10047 1 296 . 1 1 27 27 TRP CB C 13 29.801 0.300 . 1 . . . . 27 TRP CB . 10047 1 297 . 1 1 27 27 TRP CD1 C 13 127.303 0.300 . 1 . . . . 27 TRP CD1 . 10047 1 298 . 1 1 27 27 TRP CE3 C 13 120.697 0.300 . 1 . . . . 27 TRP CE3 . 10047 1 299 . 1 1 27 27 TRP CZ2 C 13 114.469 0.300 . 1 . . . . 27 TRP CZ2 . 10047 1 300 . 1 1 27 27 TRP CZ3 C 13 122.094 0.300 . 1 . . . . 27 TRP CZ3 . 10047 1 301 . 1 1 27 27 TRP CH2 C 13 124.713 0.300 . 1 . . . . 27 TRP CH2 . 10047 1 302 . 1 1 27 27 TRP N N 15 119.557 0.300 . 1 . . . . 27 TRP N . 10047 1 303 . 1 1 27 27 TRP NE1 N 15 128.905 0.300 . 1 . . . . 27 TRP NE1 . 10047 1 304 . 1 1 28 28 ALA H H 1 7.221 0.030 . 1 . . . . 28 ALA H . 10047 1 305 . 1 1 28 28 ALA HA H 1 4.163 0.030 . 1 . . . . 28 ALA HA . 10047 1 306 . 1 1 28 28 ALA HB1 H 1 0.159 0.030 . 1 . . . . 28 ALA HB . 10047 1 307 . 1 1 28 28 ALA HB2 H 1 0.159 0.030 . 1 . . . . 28 ALA HB . 10047 1 308 . 1 1 28 28 ALA HB3 H 1 0.159 0.030 . 1 . . . . 28 ALA HB . 10047 1 309 . 1 1 28 28 ALA C C 13 176.896 0.300 . 1 . . . . 28 ALA C . 10047 1 310 . 1 1 28 28 ALA CA C 13 51.748 0.300 . 1 . . . . 28 ALA CA . 10047 1 311 . 1 1 28 28 ALA CB C 13 18.364 0.300 . 1 . . . . 28 ALA CB . 10047 1 312 . 1 1 28 28 ALA N N 15 125.290 0.300 . 1 . . . . 28 ALA N . 10047 1 313 . 1 1 29 29 ARG H H 1 9.407 0.030 . 1 . . . . 29 ARG H . 10047 1 314 . 1 1 29 29 ARG HA H 1 4.505 0.030 . 1 . . . . 29 ARG HA . 10047 1 315 . 1 1 29 29 ARG HB2 H 1 2.225 0.030 . 2 . . . . 29 ARG HB2 . 10047 1 316 . 1 1 29 29 ARG HB3 H 1 1.697 0.030 . 2 . . . . 29 ARG HB3 . 10047 1 317 . 1 1 29 29 ARG HG2 H 1 1.823 0.030 . 1 . . . . 29 ARG HG2 . 10047 1 318 . 1 1 29 29 ARG HG3 H 1 1.823 0.030 . 1 . . . . 29 ARG HG3 . 10047 1 319 . 1 1 29 29 ARG HD2 H 1 3.333 0.030 . 2 . . . . 29 ARG HD2 . 10047 1 320 . 1 1 29 29 ARG HD3 H 1 3.268 0.030 . 2 . . . . 29 ARG HD3 . 10047 1 321 . 1 1 29 29 ARG C C 13 177.583 0.300 . 1 . . . . 29 ARG C . 10047 1 322 . 1 1 29 29 ARG CA C 13 54.589 0.300 . 1 . . . . 29 ARG CA . 10047 1 323 . 1 1 29 29 ARG CB C 13 32.251 0.300 . 1 . . . . 29 ARG CB . 10047 1 324 . 1 1 29 29 ARG CG C 13 27.108 0.300 . 1 . . . . 29 ARG CG . 10047 1 325 . 1 1 29 29 ARG CD C 13 43.429 0.300 . 1 . . . . 29 ARG CD . 10047 1 326 . 1 1 29 29 ARG N N 15 122.123 0.300 . 1 . . . . 29 ARG N . 10047 1 327 . 1 1 30 30 ARG HA H 1 3.955 0.030 . 1 . . . . 30 ARG HA . 10047 1 328 . 1 1 30 30 ARG HB2 H 1 2.032 0.030 . 2 . . . . 30 ARG HB2 . 10047 1 329 . 1 1 30 30 ARG HB3 H 1 1.872 0.030 . 2 . . . . 30 ARG HB3 . 10047 1 330 . 1 1 30 30 ARG HG2 H 1 1.782 0.030 . 2 . . . . 30 ARG HG2 . 10047 1 331 . 1 1 30 30 ARG HG3 H 1 1.633 0.030 . 2 . . . . 30 ARG HG3 . 10047 1 332 . 1 1 30 30 ARG HD2 H 1 3.299 0.030 . 1 . . . . 30 ARG HD2 . 10047 1 333 . 1 1 30 30 ARG HD3 H 1 3.299 0.030 . 1 . . . . 30 ARG HD3 . 10047 1 334 . 1 1 30 30 ARG C C 13 178.833 0.300 . 1 . . . . 30 ARG C . 10047 1 335 . 1 1 30 30 ARG CA C 13 60.902 0.300 . 1 . . . . 30 ARG CA . 10047 1 336 . 1 1 30 30 ARG CB C 13 29.838 0.300 . 1 . . . . 30 ARG CB . 10047 1 337 . 1 1 30 30 ARG CG C 13 26.975 0.300 . 1 . . . . 30 ARG CG . 10047 1 338 . 1 1 30 30 ARG CD C 13 43.499 0.300 . 1 . . . . 30 ARG CD . 10047 1 339 . 1 1 31 31 GLU H H 1 9.765 0.030 . 1 . . . . 31 GLU H . 10047 1 340 . 1 1 31 31 GLU HA H 1 4.139 0.030 . 1 . . . . 31 GLU HA . 10047 1 341 . 1 1 31 31 GLU HB2 H 1 2.024 0.030 . 1 . . . . 31 GLU HB2 . 10047 1 342 . 1 1 31 31 GLU HB3 H 1 2.024 0.030 . 1 . . . . 31 GLU HB3 . 10047 1 343 . 1 1 31 31 GLU HG2 H 1 2.412 0.030 . 2 . . . . 31 GLU HG2 . 10047 1 344 . 1 1 31 31 GLU HG3 H 1 2.312 0.030 . 2 . . . . 31 GLU HG3 . 10047 1 345 . 1 1 31 31 GLU C C 13 179.056 0.300 . 1 . . . . 31 GLU C . 10047 1 346 . 1 1 31 31 GLU CA C 13 59.690 0.300 . 1 . . . . 31 GLU CA . 10047 1 347 . 1 1 31 31 GLU CB C 13 29.011 0.300 . 1 . . . . 31 GLU CB . 10047 1 348 . 1 1 31 31 GLU CG C 13 36.806 0.300 . 1 . . . . 31 GLU CG . 10047 1 349 . 1 1 31 31 GLU N N 15 116.869 0.300 . 1 . . . . 31 GLU N . 10047 1 350 . 1 1 32 32 ASP H H 1 7.327 0.030 . 1 . . . . 32 ASP H . 10047 1 351 . 1 1 32 32 ASP HA H 1 4.596 0.030 . 1 . . . . 32 ASP HA . 10047 1 352 . 1 1 32 32 ASP HB2 H 1 2.736 0.030 . 2 . . . . 32 ASP HB2 . 10047 1 353 . 1 1 32 32 ASP HB3 H 1 2.468 0.030 . 2 . . . . 32 ASP HB3 . 10047 1 354 . 1 1 32 32 ASP C C 13 178.181 0.300 . 1 . . . . 32 ASP C . 10047 1 355 . 1 1 32 32 ASP CA C 13 56.643 0.300 . 1 . . . . 32 ASP CA . 10047 1 356 . 1 1 32 32 ASP CB C 13 41.491 0.300 . 1 . . . . 32 ASP CB . 10047 1 357 . 1 1 32 32 ASP N N 15 119.226 0.300 . 1 . . . . 32 ASP N . 10047 1 358 . 1 1 33 33 TYR H H 1 7.858 0.030 . 1 . . . . 33 TYR H . 10047 1 359 . 1 1 33 33 TYR HA H 1 4.207 0.030 . 1 . . . . 33 TYR HA . 10047 1 360 . 1 1 33 33 TYR HB2 H 1 3.082 0.030 . 2 . . . . 33 TYR HB2 . 10047 1 361 . 1 1 33 33 TYR HB3 H 1 2.924 0.030 . 2 . . . . 33 TYR HB3 . 10047 1 362 . 1 1 33 33 TYR HD1 H 1 6.804 0.030 . 1 . . . . 33 TYR HD1 . 10047 1 363 . 1 1 33 33 TYR HD2 H 1 6.804 0.030 . 1 . . . . 33 TYR HD2 . 10047 1 364 . 1 1 33 33 TYR HE1 H 1 6.454 0.030 . 1 . . . . 33 TYR HE1 . 10047 1 365 . 1 1 33 33 TYR HE2 H 1 6.454 0.030 . 1 . . . . 33 TYR HE2 . 10047 1 366 . 1 1 33 33 TYR C C 13 178.001 0.300 . 1 . . . . 33 TYR C . 10047 1 367 . 1 1 33 33 TYR CA C 13 60.955 0.300 . 1 . . . . 33 TYR CA . 10047 1 368 . 1 1 33 33 TYR CB C 13 36.975 0.300 . 1 . . . . 33 TYR CB . 10047 1 369 . 1 1 33 33 TYR CD1 C 13 131.174 0.300 . 1 . . . . 33 TYR CD1 . 10047 1 370 . 1 1 33 33 TYR CD2 C 13 131.174 0.300 . 1 . . . . 33 TYR CD2 . 10047 1 371 . 1 1 33 33 TYR CE1 C 13 119.067 0.300 . 1 . . . . 33 TYR CE1 . 10047 1 372 . 1 1 33 33 TYR CE2 C 13 119.067 0.300 . 1 . . . . 33 TYR CE2 . 10047 1 373 . 1 1 33 33 TYR N N 15 118.097 0.300 . 1 . . . . 33 TYR N . 10047 1 374 . 1 1 34 34 GLN H H 1 8.045 0.030 . 1 . . . . 34 GLN H . 10047 1 375 . 1 1 34 34 GLN HA H 1 4.131 0.030 . 1 . . . . 34 GLN HA . 10047 1 376 . 1 1 34 34 GLN HB2 H 1 2.194 0.030 . 1 . . . . 34 GLN HB2 . 10047 1 377 . 1 1 34 34 GLN HB3 H 1 2.194 0.030 . 1 . . . . 34 GLN HB3 . 10047 1 378 . 1 1 34 34 GLN HG2 H 1 2.395 0.030 . 2 . . . . 34 GLN HG2 . 10047 1 379 . 1 1 34 34 GLN HG3 H 1 2.509 0.030 . 2 . . . . 34 GLN HG3 . 10047 1 380 . 1 1 34 34 GLN HE21 H 1 7.488 0.030 . 2 . . . . 34 GLN HE21 . 10047 1 381 . 1 1 34 34 GLN HE22 H 1 6.886 0.030 . 2 . . . . 34 GLN HE22 . 10047 1 382 . 1 1 34 34 GLN C C 13 178.315 0.300 . 1 . . . . 34 GLN C . 10047 1 383 . 1 1 34 34 GLN CA C 13 59.455 0.300 . 1 . . . . 34 GLN CA . 10047 1 384 . 1 1 34 34 GLN CB C 13 28.519 0.300 . 1 . . . . 34 GLN CB . 10047 1 385 . 1 1 34 34 GLN CG C 13 34.057 0.300 . 1 . . . . 34 GLN CG . 10047 1 386 . 1 1 34 34 GLN N N 15 117.661 0.300 . 1 . . . . 34 GLN N . 10047 1 387 . 1 1 34 34 GLN NE2 N 15 111.650 0.300 . 1 . . . . 34 GLN NE2 . 10047 1 388 . 1 1 35 35 LYS H H 1 7.609 0.030 . 1 . . . . 35 LYS H . 10047 1 389 . 1 1 35 35 LYS HA H 1 4.190 0.030 . 1 . . . . 35 LYS HA . 10047 1 390 . 1 1 35 35 LYS HB2 H 1 2.055 0.030 . 1 . . . . 35 LYS HB2 . 10047 1 391 . 1 1 35 35 LYS HB3 H 1 2.055 0.030 . 1 . . . . 35 LYS HB3 . 10047 1 392 . 1 1 35 35 LYS HG2 H 1 1.630 0.030 . 2 . . . . 35 LYS HG2 . 10047 1 393 . 1 1 35 35 LYS HG3 H 1 1.546 0.030 . 2 . . . . 35 LYS HG3 . 10047 1 394 . 1 1 35 35 LYS HD2 H 1 1.849 0.030 . 1 . . . . 35 LYS HD2 . 10047 1 395 . 1 1 35 35 LYS HD3 H 1 1.849 0.030 . 1 . . . . 35 LYS HD3 . 10047 1 396 . 1 1 35 35 LYS HE2 H 1 3.050 0.030 . 1 . . . . 35 LYS HE2 . 10047 1 397 . 1 1 35 35 LYS HE3 H 1 3.050 0.030 . 1 . . . . 35 LYS HE3 . 10047 1 398 . 1 1 35 35 LYS C C 13 178.884 0.300 . 1 . . . . 35 LYS C . 10047 1 399 . 1 1 35 35 LYS CA C 13 59.292 0.300 . 1 . . . . 35 LYS CA . 10047 1 400 . 1 1 35 35 LYS CB C 13 32.114 0.300 . 1 . . . . 35 LYS CB . 10047 1 401 . 1 1 35 35 LYS CG C 13 24.953 0.300 . 1 . . . . 35 LYS CG . 10047 1 402 . 1 1 35 35 LYS CD C 13 29.137 0.300 . 1 . . . . 35 LYS CD . 10047 1 403 . 1 1 35 35 LYS CE C 13 42.035 0.300 . 1 . . . . 35 LYS CE . 10047 1 404 . 1 1 35 35 LYS N N 15 120.268 0.300 . 1 . . . . 35 LYS N . 10047 1 405 . 1 1 36 36 LEU H H 1 8.650 0.030 . 1 . . . . 36 LEU H . 10047 1 406 . 1 1 36 36 LEU HA H 1 4.019 0.030 . 1 . . . . 36 LEU HA . 10047 1 407 . 1 1 36 36 LEU HB2 H 1 1.137 0.030 . 2 . . . . 36 LEU HB2 . 10047 1 408 . 1 1 36 36 LEU HB3 H 1 2.011 0.030 . 2 . . . . 36 LEU HB3 . 10047 1 409 . 1 1 36 36 LEU HG H 1 1.441 0.030 . 1 . . . . 36 LEU HG . 10047 1 410 . 1 1 36 36 LEU HD11 H 1 0.370 0.030 . 1 . . . . 36 LEU HD1 . 10047 1 411 . 1 1 36 36 LEU HD12 H 1 0.370 0.030 . 1 . . . . 36 LEU HD1 . 10047 1 412 . 1 1 36 36 LEU HD13 H 1 0.370 0.030 . 1 . . . . 36 LEU HD1 . 10047 1 413 . 1 1 36 36 LEU HD21 H 1 0.551 0.030 . 1 . . . . 36 LEU HD2 . 10047 1 414 . 1 1 36 36 LEU HD22 H 1 0.551 0.030 . 1 . . . . 36 LEU HD2 . 10047 1 415 . 1 1 36 36 LEU HD23 H 1 0.551 0.030 . 1 . . . . 36 LEU HD2 . 10047 1 416 . 1 1 36 36 LEU C C 13 180.950 0.300 . 1 . . . . 36 LEU C . 10047 1 417 . 1 1 36 36 LEU CA C 13 57.976 0.300 . 1 . . . . 36 LEU CA . 10047 1 418 . 1 1 36 36 LEU CB C 13 43.015 0.300 . 1 . . . . 36 LEU CB . 10047 1 419 . 1 1 36 36 LEU CG C 13 26.992 0.300 . 1 . . . . 36 LEU CG . 10047 1 420 . 1 1 36 36 LEU CD1 C 13 25.173 0.300 . 2 . . . . 36 LEU CD1 . 10047 1 421 . 1 1 36 36 LEU CD2 C 13 22.583 0.300 . 2 . . . . 36 LEU CD2 . 10047 1 422 . 1 1 36 36 LEU N N 15 117.790 0.300 . 1 . . . . 36 LEU N . 10047 1 423 . 1 1 37 37 GLU H H 1 8.865 0.030 . 1 . . . . 37 GLU H . 10047 1 424 . 1 1 37 37 GLU HA H 1 4.124 0.030 . 1 . . . . 37 GLU HA . 10047 1 425 . 1 1 37 37 GLU HB2 H 1 2.231 0.030 . 2 . . . . 37 GLU HB2 . 10047 1 426 . 1 1 37 37 GLU HB3 H 1 2.181 0.030 . 2 . . . . 37 GLU HB3 . 10047 1 427 . 1 1 37 37 GLU HG2 H 1 2.236 0.030 . 2 . . . . 37 GLU HG2 . 10047 1 428 . 1 1 37 37 GLU HG3 H 1 2.588 0.030 . 2 . . . . 37 GLU HG3 . 10047 1 429 . 1 1 37 37 GLU C C 13 178.691 0.300 . 1 . . . . 37 GLU C . 10047 1 430 . 1 1 37 37 GLU CA C 13 60.110 0.300 . 1 . . . . 37 GLU CA . 10047 1 431 . 1 1 37 37 GLU CB C 13 30.163 0.300 . 1 . . . . 37 GLU CB . 10047 1 432 . 1 1 37 37 GLU CG C 13 36.092 0.300 . 1 . . . . 37 GLU CG . 10047 1 433 . 1 1 37 37 GLU N N 15 125.632 0.300 . 1 . . . . 37 GLU N . 10047 1 434 . 1 1 38 38 GLN H H 1 7.591 0.030 . 1 . . . . 38 GLN H . 10047 1 435 . 1 1 38 38 GLN HA H 1 4.074 0.030 . 1 . . . . 38 GLN HA . 10047 1 436 . 1 1 38 38 GLN HB2 H 1 2.352 0.030 . 2 . . . . 38 GLN HB2 . 10047 1 437 . 1 1 38 38 GLN HB3 H 1 2.289 0.030 . 2 . . . . 38 GLN HB3 . 10047 1 438 . 1 1 38 38 GLN HG2 H 1 2.608 0.030 . 2 . . . . 38 GLN HG2 . 10047 1 439 . 1 1 38 38 GLN HG3 H 1 2.439 0.030 . 2 . . . . 38 GLN HG3 . 10047 1 440 . 1 1 38 38 GLN HE21 H 1 6.843 0.030 . 2 . . . . 38 GLN HE21 . 10047 1 441 . 1 1 38 38 GLN HE22 H 1 7.522 0.030 . 2 . . . . 38 GLN HE22 . 10047 1 442 . 1 1 38 38 GLN C C 13 178.718 0.300 . 1 . . . . 38 GLN C . 10047 1 443 . 1 1 38 38 GLN CA C 13 59.071 0.300 . 1 . . . . 38 GLN CA . 10047 1 444 . 1 1 38 38 GLN CB C 13 28.460 0.300 . 1 . . . . 38 GLN CB . 10047 1 445 . 1 1 38 38 GLN CG C 13 33.883 0.300 . 1 . . . . 38 GLN CG . 10047 1 446 . 1 1 38 38 GLN N N 15 119.305 0.300 . 1 . . . . 38 GLN N . 10047 1 447 . 1 1 38 38 GLN NE2 N 15 111.657 0.300 . 1 . . . . 38 GLN NE2 . 10047 1 448 . 1 1 39 39 ILE H H 1 8.198 0.030 . 1 . . . . 39 ILE H . 10047 1 449 . 1 1 39 39 ILE HA H 1 4.209 0.030 . 1 . . . . 39 ILE HA . 10047 1 450 . 1 1 39 39 ILE HB H 1 1.919 0.030 . 1 . . . . 39 ILE HB . 10047 1 451 . 1 1 39 39 ILE HG12 H 1 1.459 0.030 . 2 . . . . 39 ILE HG12 . 10047 1 452 . 1 1 39 39 ILE HG13 H 1 1.663 0.030 . 2 . . . . 39 ILE HG13 . 10047 1 453 . 1 1 39 39 ILE HG21 H 1 1.069 0.030 . 1 . . . . 39 ILE HG2 . 10047 1 454 . 1 1 39 39 ILE HG22 H 1 1.069 0.030 . 1 . . . . 39 ILE HG2 . 10047 1 455 . 1 1 39 39 ILE HG23 H 1 1.069 0.030 . 1 . . . . 39 ILE HG2 . 10047 1 456 . 1 1 39 39 ILE HD11 H 1 0.921 0.030 . 1 . . . . 39 ILE HD1 . 10047 1 457 . 1 1 39 39 ILE HD12 H 1 0.921 0.030 . 1 . . . . 39 ILE HD1 . 10047 1 458 . 1 1 39 39 ILE HD13 H 1 0.921 0.030 . 1 . . . . 39 ILE HD1 . 10047 1 459 . 1 1 39 39 ILE C C 13 177.745 0.300 . 1 . . . . 39 ILE C . 10047 1 460 . 1 1 39 39 ILE CA C 13 63.977 0.300 . 1 . . . . 39 ILE CA . 10047 1 461 . 1 1 39 39 ILE CB C 13 39.184 0.300 . 1 . . . . 39 ILE CB . 10047 1 462 . 1 1 39 39 ILE CG1 C 13 27.672 0.300 . 1 . . . . 39 ILE CG1 . 10047 1 463 . 1 1 39 39 ILE CG2 C 13 17.951 0.300 . 1 . . . . 39 ILE CG2 . 10047 1 464 . 1 1 39 39 ILE CD1 C 13 13.937 0.300 . 1 . . . . 39 ILE CD1 . 10047 1 465 . 1 1 39 39 ILE N N 15 113.414 0.300 . 1 . . . . 39 ILE N . 10047 1 466 . 1 1 40 40 THR H H 1 8.142 0.030 . 1 . . . . 40 THR H . 10047 1 467 . 1 1 40 40 THR HA H 1 4.452 0.030 . 1 . . . . 40 THR HA . 10047 1 468 . 1 1 40 40 THR HB H 1 4.001 0.030 . 1 . . . . 40 THR HB . 10047 1 469 . 1 1 40 40 THR HG21 H 1 1.294 0.030 . 1 . . . . 40 THR HG2 . 10047 1 470 . 1 1 40 40 THR HG22 H 1 1.294 0.030 . 1 . . . . 40 THR HG2 . 10047 1 471 . 1 1 40 40 THR HG23 H 1 1.294 0.030 . 1 . . . . 40 THR HG2 . 10047 1 472 . 1 1 40 40 THR C C 13 176.201 0.300 . 1 . . . . 40 THR C . 10047 1 473 . 1 1 40 40 THR CA C 13 63.469 0.300 . 1 . . . . 40 THR CA . 10047 1 474 . 1 1 40 40 THR CB C 13 71.967 0.300 . 1 . . . . 40 THR CB . 10047 1 475 . 1 1 40 40 THR CG2 C 13 21.746 0.300 . 1 . . . . 40 THR CG2 . 10047 1 476 . 1 1 40 40 THR N N 15 107.061 0.300 . 1 . . . . 40 THR N . 10047 1 477 . 1 1 41 41 GLY H H 1 7.989 0.030 . 1 . . . . 41 GLY H . 10047 1 478 . 1 1 41 41 GLY HA2 H 1 4.214 0.030 . 2 . . . . 41 GLY HA2 . 10047 1 479 . 1 1 41 41 GLY HA3 H 1 3.889 0.030 . 2 . . . . 41 GLY HA3 . 10047 1 480 . 1 1 41 41 GLY C C 13 174.477 0.300 . 1 . . . . 41 GLY C . 10047 1 481 . 1 1 41 41 GLY CA C 13 45.929 0.300 . 1 . . . . 41 GLY CA . 10047 1 482 . 1 1 41 41 GLY N N 15 111.024 0.300 . 1 . . . . 41 GLY N . 10047 1 483 . 1 1 42 42 LEU H H 1 7.951 0.030 . 1 . . . . 42 LEU H . 10047 1 484 . 1 1 42 42 LEU HA H 1 4.594 0.030 . 1 . . . . 42 LEU HA . 10047 1 485 . 1 1 42 42 LEU HB2 H 1 1.672 0.030 . 2 . . . . 42 LEU HB2 . 10047 1 486 . 1 1 42 42 LEU HB3 H 1 1.065 0.030 . 2 . . . . 42 LEU HB3 . 10047 1 487 . 1 1 42 42 LEU HG H 1 1.423 0.030 . 1 . . . . 42 LEU HG . 10047 1 488 . 1 1 42 42 LEU HD11 H 1 0.613 0.030 . 1 . . . . 42 LEU HD1 . 10047 1 489 . 1 1 42 42 LEU HD12 H 1 0.613 0.030 . 1 . . . . 42 LEU HD1 . 10047 1 490 . 1 1 42 42 LEU HD13 H 1 0.613 0.030 . 1 . . . . 42 LEU HD1 . 10047 1 491 . 1 1 42 42 LEU HD21 H 1 0.928 0.030 . 1 . . . . 42 LEU HD2 . 10047 1 492 . 1 1 42 42 LEU HD22 H 1 0.928 0.030 . 1 . . . . 42 LEU HD2 . 10047 1 493 . 1 1 42 42 LEU HD23 H 1 0.928 0.030 . 1 . . . . 42 LEU HD2 . 10047 1 494 . 1 1 42 42 LEU C C 13 173.739 0.300 . 1 . . . . 42 LEU C . 10047 1 495 . 1 1 42 42 LEU CA C 13 52.175 0.300 . 1 . . . . 42 LEU CA . 10047 1 496 . 1 1 42 42 LEU CB C 13 42.614 0.300 . 1 . . . . 42 LEU CB . 10047 1 497 . 1 1 42 42 LEU CG C 13 27.103 0.300 . 1 . . . . 42 LEU CG . 10047 1 498 . 1 1 42 42 LEU CD1 C 13 26.252 0.300 . 2 . . . . 42 LEU CD1 . 10047 1 499 . 1 1 42 42 LEU CD2 C 13 23.673 0.300 . 2 . . . . 42 LEU CD2 . 10047 1 500 . 1 1 42 42 LEU N N 15 122.110 0.300 . 1 . . . . 42 LEU N . 10047 1 501 . 1 1 43 43 PRO HA H 1 4.551 0.030 . 1 . . . . 43 PRO HA . 10047 1 502 . 1 1 43 43 PRO HB2 H 1 2.483 0.030 . 2 . . . . 43 PRO HB2 . 10047 1 503 . 1 1 43 43 PRO HB3 H 1 1.908 0.030 . 2 . . . . 43 PRO HB3 . 10047 1 504 . 1 1 43 43 PRO HG2 H 1 2.145 0.030 . 1 . . . . 43 PRO HG2 . 10047 1 505 . 1 1 43 43 PRO HG3 H 1 2.145 0.030 . 1 . . . . 43 PRO HG3 . 10047 1 506 . 1 1 43 43 PRO HD2 H 1 3.966 0.030 . 2 . . . . 43 PRO HD2 . 10047 1 507 . 1 1 43 43 PRO HD3 H 1 3.550 0.030 . 2 . . . . 43 PRO HD3 . 10047 1 508 . 1 1 43 43 PRO C C 13 178.594 0.300 . 1 . . . . 43 PRO C . 10047 1 509 . 1 1 43 43 PRO CA C 13 62.005 0.300 . 1 . . . . 43 PRO CA . 10047 1 510 . 1 1 43 43 PRO CB C 13 33.198 0.300 . 1 . . . . 43 PRO CB . 10047 1 511 . 1 1 43 43 PRO CG C 13 28.255 0.300 . 1 . . . . 43 PRO CG . 10047 1 512 . 1 1 43 43 PRO CD C 13 50.279 0.300 . 1 . . . . 43 PRO CD . 10047 1 513 . 1 1 44 44 ARG H H 1 9.052 0.030 . 1 . . . . 44 ARG H . 10047 1 514 . 1 1 44 44 ARG HA H 1 3.816 0.030 . 1 . . . . 44 ARG HA . 10047 1 515 . 1 1 44 44 ARG HB2 H 1 1.344 0.030 . 2 . . . . 44 ARG HB2 . 10047 1 516 . 1 1 44 44 ARG HB3 H 1 1.522 0.030 . 2 . . . . 44 ARG HB3 . 10047 1 517 . 1 1 44 44 ARG HG2 H 1 2.074 0.030 . 2 . . . . 44 ARG HG2 . 10047 1 518 . 1 1 44 44 ARG HG3 H 1 1.841 0.030 . 2 . . . . 44 ARG HG3 . 10047 1 519 . 1 1 44 44 ARG HD2 H 1 3.033 0.030 . 2 . . . . 44 ARG HD2 . 10047 1 520 . 1 1 44 44 ARG HD3 H 1 3.110 0.030 . 2 . . . . 44 ARG HD3 . 10047 1 521 . 1 1 44 44 ARG HE H 1 6.815 0.030 . 1 . . . . 44 ARG HE . 10047 1 522 . 1 1 44 44 ARG C C 13 174.676 0.300 . 1 . . . . 44 ARG C . 10047 1 523 . 1 1 44 44 ARG CA C 13 61.655 0.300 . 1 . . . . 44 ARG CA . 10047 1 524 . 1 1 44 44 ARG CB C 13 27.669 0.300 . 1 . . . . 44 ARG CB . 10047 1 525 . 1 1 44 44 ARG CG C 13 28.089 0.300 . 1 . . . . 44 ARG CG . 10047 1 526 . 1 1 44 44 ARG CD C 13 43.192 0.300 . 1 . . . . 44 ARG CD . 10047 1 527 . 1 1 44 44 ARG N N 15 124.429 0.300 . 1 . . . . 44 ARG N . 10047 1 528 . 1 1 45 45 PRO HA H 1 4.205 0.030 . 1 . . . . 45 PRO HA . 10047 1 529 . 1 1 45 45 PRO HB2 H 1 2.383 0.030 . 2 . . . . 45 PRO HB2 . 10047 1 530 . 1 1 45 45 PRO HB3 H 1 1.913 0.030 . 2 . . . . 45 PRO HB3 . 10047 1 531 . 1 1 45 45 PRO HG2 H 1 2.122 0.030 . 2 . . . . 45 PRO HG2 . 10047 1 532 . 1 1 45 45 PRO HG3 H 1 1.995 0.030 . 2 . . . . 45 PRO HG3 . 10047 1 533 . 1 1 45 45 PRO HD2 H 1 3.806 0.030 . 2 . . . . 45 PRO HD2 . 10047 1 534 . 1 1 45 45 PRO HD3 H 1 3.590 0.030 . 2 . . . . 45 PRO HD3 . 10047 1 535 . 1 1 45 45 PRO C C 13 179.473 0.300 . 1 . . . . 45 PRO C . 10047 1 536 . 1 1 45 45 PRO CA C 13 66.374 0.300 . 1 . . . . 45 PRO CA . 10047 1 537 . 1 1 45 45 PRO CB C 13 30.942 0.300 . 1 . . . . 45 PRO CB . 10047 1 538 . 1 1 45 45 PRO CG C 13 28.579 0.300 . 1 . . . . 45 PRO CG . 10047 1 539 . 1 1 45 45 PRO CD C 13 50.402 0.300 . 1 . . . . 45 PRO CD . 10047 1 540 . 1 1 46 46 GLU H H 1 7.204 0.030 . 1 . . . . 46 GLU H . 10047 1 541 . 1 1 46 46 GLU HA H 1 4.224 0.030 . 1 . . . . 46 GLU HA . 10047 1 542 . 1 1 46 46 GLU HB2 H 1 2.172 0.030 . 2 . . . . 46 GLU HB2 . 10047 1 543 . 1 1 46 46 GLU HB3 H 1 2.109 0.030 . 2 . . . . 46 GLU HB3 . 10047 1 544 . 1 1 46 46 GLU HG2 H 1 2.399 0.030 . 2 . . . . 46 GLU HG2 . 10047 1 545 . 1 1 46 46 GLU HG3 H 1 2.228 0.030 . 2 . . . . 46 GLU HG3 . 10047 1 546 . 1 1 46 46 GLU C C 13 179.587 0.300 . 1 . . . . 46 GLU C . 10047 1 547 . 1 1 46 46 GLU CA C 13 58.822 0.300 . 1 . . . . 46 GLU CA . 10047 1 548 . 1 1 46 46 GLU CB C 13 29.908 0.300 . 1 . . . . 46 GLU CB . 10047 1 549 . 1 1 46 46 GLU CG C 13 36.597 0.300 . 1 . . . . 46 GLU CG . 10047 1 550 . 1 1 46 46 GLU N N 15 115.575 0.300 . 1 . . . . 46 GLU N . 10047 1 551 . 1 1 47 47 ILE H H 1 7.705 0.030 . 1 . . . . 47 ILE H . 10047 1 552 . 1 1 47 47 ILE HA H 1 3.723 0.030 . 1 . . . . 47 ILE HA . 10047 1 553 . 1 1 47 47 ILE HB H 1 2.023 0.030 . 1 . . . . 47 ILE HB . 10047 1 554 . 1 1 47 47 ILE HG12 H 1 0.620 0.030 . 2 . . . . 47 ILE HG12 . 10047 1 555 . 1 1 47 47 ILE HG13 H 1 1.785 0.030 . 2 . . . . 47 ILE HG13 . 10047 1 556 . 1 1 47 47 ILE HG21 H 1 1.261 0.030 . 1 . . . . 47 ILE HG2 . 10047 1 557 . 1 1 47 47 ILE HG22 H 1 1.261 0.030 . 1 . . . . 47 ILE HG2 . 10047 1 558 . 1 1 47 47 ILE HG23 H 1 1.261 0.030 . 1 . . . . 47 ILE HG2 . 10047 1 559 . 1 1 47 47 ILE HD11 H 1 0.803 0.030 . 1 . . . . 47 ILE HD1 . 10047 1 560 . 1 1 47 47 ILE HD12 H 1 0.803 0.030 . 1 . . . . 47 ILE HD1 . 10047 1 561 . 1 1 47 47 ILE HD13 H 1 0.803 0.030 . 1 . . . . 47 ILE HD1 . 10047 1 562 . 1 1 47 47 ILE C C 13 177.744 0.300 . 1 . . . . 47 ILE C . 10047 1 563 . 1 1 47 47 ILE CA C 13 66.165 0.300 . 1 . . . . 47 ILE CA . 10047 1 564 . 1 1 47 47 ILE CB C 13 38.576 0.300 . 1 . . . . 47 ILE CB . 10047 1 565 . 1 1 47 47 ILE CG1 C 13 29.137 0.300 . 1 . . . . 47 ILE CG1 . 10047 1 566 . 1 1 47 47 ILE CG2 C 13 19.157 0.300 . 1 . . . . 47 ILE CG2 . 10047 1 567 . 1 1 47 47 ILE CD1 C 13 13.798 0.300 . 1 . . . . 47 ILE CD1 . 10047 1 568 . 1 1 47 47 ILE N N 15 122.570 0.300 . 1 . . . . 47 ILE N . 10047 1 569 . 1 1 48 48 ILE H H 1 8.340 0.030 . 1 . . . . 48 ILE H . 10047 1 570 . 1 1 48 48 ILE HA H 1 3.722 0.030 . 1 . . . . 48 ILE HA . 10047 1 571 . 1 1 48 48 ILE HB H 1 1.653 0.030 . 1 . . . . 48 ILE HB . 10047 1 572 . 1 1 48 48 ILE HG12 H 1 0.193 0.030 . 2 . . . . 48 ILE HG12 . 10047 1 573 . 1 1 48 48 ILE HG13 H 1 1.013 0.030 . 2 . . . . 48 ILE HG13 . 10047 1 574 . 1 1 48 48 ILE HG21 H 1 0.905 0.030 . 1 . . . . 48 ILE HG2 . 10047 1 575 . 1 1 48 48 ILE HG22 H 1 0.905 0.030 . 1 . . . . 48 ILE HG2 . 10047 1 576 . 1 1 48 48 ILE HG23 H 1 0.905 0.030 . 1 . . . . 48 ILE HG2 . 10047 1 577 . 1 1 48 48 ILE HD11 H 1 0.535 0.030 . 1 . . . . 48 ILE HD1 . 10047 1 578 . 1 1 48 48 ILE HD12 H 1 0.535 0.030 . 1 . . . . 48 ILE HD1 . 10047 1 579 . 1 1 48 48 ILE HD13 H 1 0.535 0.030 . 1 . . . . 48 ILE HD1 . 10047 1 580 . 1 1 48 48 ILE C C 13 179.809 0.300 . 1 . . . . 48 ILE C . 10047 1 581 . 1 1 48 48 ILE CA C 13 66.080 0.300 . 1 . . . . 48 ILE CA . 10047 1 582 . 1 1 48 48 ILE CB C 13 38.492 0.300 . 1 . . . . 48 ILE CB . 10047 1 583 . 1 1 48 48 ILE CG1 C 13 28.160 0.300 . 1 . . . . 48 ILE CG1 . 10047 1 584 . 1 1 48 48 ILE CG2 C 13 16.866 0.300 . 1 . . . . 48 ILE CG2 . 10047 1 585 . 1 1 48 48 ILE CD1 C 13 13.722 0.300 . 1 . . . . 48 ILE CD1 . 10047 1 586 . 1 1 48 48 ILE N N 15 120.884 0.300 . 1 . . . . 48 ILE N . 10047 1 587 . 1 1 49 49 GLN H H 1 7.976 0.030 . 1 . . . . 49 GLN H . 10047 1 588 . 1 1 49 49 GLN HA H 1 4.085 0.030 . 1 . . . . 49 GLN HA . 10047 1 589 . 1 1 49 49 GLN HB2 H 1 2.112 0.030 . 2 . . . . 49 GLN HB2 . 10047 1 590 . 1 1 49 49 GLN HB3 H 1 2.279 0.030 . 2 . . . . 49 GLN HB3 . 10047 1 591 . 1 1 49 49 GLN HG2 H 1 2.462 0.030 . 1 . . . . 49 GLN HG2 . 10047 1 592 . 1 1 49 49 GLN HG3 H 1 2.462 0.030 . 1 . . . . 49 GLN HG3 . 10047 1 593 . 1 1 49 49 GLN HE21 H 1 6.815 0.030 . 2 . . . . 49 GLN HE21 . 10047 1 594 . 1 1 49 49 GLN HE22 H 1 7.903 0.030 . 2 . . . . 49 GLN HE22 . 10047 1 595 . 1 1 49 49 GLN C C 13 177.149 0.300 . 1 . . . . 49 GLN C . 10047 1 596 . 1 1 49 49 GLN CA C 13 58.557 0.300 . 1 . . . . 49 GLN CA . 10047 1 597 . 1 1 49 49 GLN CB C 13 28.736 0.300 . 1 . . . . 49 GLN CB . 10047 1 598 . 1 1 49 49 GLN CG C 13 33.181 0.300 . 1 . . . . 49 GLN CG . 10047 1 599 . 1 1 49 49 GLN N N 15 119.332 0.300 . 1 . . . . 49 GLN N . 10047 1 600 . 1 1 49 49 GLN NE2 N 15 114.690 0.300 . 1 . . . . 49 GLN NE2 . 10047 1 601 . 1 1 50 50 TRP H H 1 8.105 0.030 . 1 . . . . 50 TRP H . 10047 1 602 . 1 1 50 50 TRP HA H 1 4.288 0.030 . 1 . . . . 50 TRP HA . 10047 1 603 . 1 1 50 50 TRP HB2 H 1 3.680 0.030 . 2 . . . . 50 TRP HB2 . 10047 1 604 . 1 1 50 50 TRP HB3 H 1 3.362 0.030 . 2 . . . . 50 TRP HB3 . 10047 1 605 . 1 1 50 50 TRP HD1 H 1 7.221 0.030 . 1 . . . . 50 TRP HD1 . 10047 1 606 . 1 1 50 50 TRP HE1 H 1 9.757 0.030 . 1 . . . . 50 TRP HE1 . 10047 1 607 . 1 1 50 50 TRP HE3 H 1 6.892 0.030 . 1 . . . . 50 TRP HE3 . 10047 1 608 . 1 1 50 50 TRP HZ2 H 1 7.066 0.030 . 1 . . . . 50 TRP HZ2 . 10047 1 609 . 1 1 50 50 TRP HZ3 H 1 6.049 0.030 . 1 . . . . 50 TRP HZ3 . 10047 1 610 . 1 1 50 50 TRP HH2 H 1 6.644 0.030 . 1 . . . . 50 TRP HH2 . 10047 1 611 . 1 1 50 50 TRP C C 13 180.561 0.300 . 1 . . . . 50 TRP C . 10047 1 612 . 1 1 50 50 TRP CA C 13 62.869 0.300 . 1 . . . . 50 TRP CA . 10047 1 613 . 1 1 50 50 TRP CB C 13 28.454 0.300 . 1 . . . . 50 TRP CB . 10047 1 614 . 1 1 50 50 TRP CD1 C 13 126.022 0.300 . 1 . . . . 50 TRP CD1 . 10047 1 615 . 1 1 50 50 TRP CE3 C 13 120.260 0.300 . 1 . . . . 50 TRP CE3 . 10047 1 616 . 1 1 50 50 TRP CZ2 C 13 114.469 0.300 . 1 . . . . 50 TRP CZ2 . 10047 1 617 . 1 1 50 50 TRP CZ3 C 13 121.242 0.300 . 1 . . . . 50 TRP CZ3 . 10047 1 618 . 1 1 50 50 TRP CH2 C 13 123.549 0.300 . 1 . . . . 50 TRP CH2 . 10047 1 619 . 1 1 50 50 TRP N N 15 120.360 0.300 . 1 . . . . 50 TRP N . 10047 1 620 . 1 1 50 50 TRP NE1 N 15 129.430 0.300 . 1 . . . . 50 TRP NE1 . 10047 1 621 . 1 1 51 51 PHE H H 1 9.006 0.030 . 1 . . . . 51 PHE H . 10047 1 622 . 1 1 51 51 PHE HA H 1 3.822 0.030 . 1 . . . . 51 PHE HA . 10047 1 623 . 1 1 51 51 PHE HB2 H 1 3.644 0.030 . 2 . . . . 51 PHE HB2 . 10047 1 624 . 1 1 51 51 PHE HB3 H 1 3.367 0.030 . 2 . . . . 51 PHE HB3 . 10047 1 625 . 1 1 51 51 PHE HD1 H 1 8.007 0.030 . 1 . . . . 51 PHE HD1 . 10047 1 626 . 1 1 51 51 PHE HD2 H 1 8.007 0.030 . 1 . . . . 51 PHE HD2 . 10047 1 627 . 1 1 51 51 PHE HE1 H 1 7.576 0.030 . 1 . . . . 51 PHE HE1 . 10047 1 628 . 1 1 51 51 PHE HE2 H 1 7.576 0.030 . 1 . . . . 51 PHE HE2 . 10047 1 629 . 1 1 51 51 PHE HZ H 1 7.375 0.030 . 1 . . . . 51 PHE HZ . 10047 1 630 . 1 1 51 51 PHE C C 13 178.300 0.300 . 1 . . . . 51 PHE C . 10047 1 631 . 1 1 51 51 PHE CA C 13 64.166 0.300 . 1 . . . . 51 PHE CA . 10047 1 632 . 1 1 51 51 PHE CB C 13 39.253 0.300 . 1 . . . . 51 PHE CB . 10047 1 633 . 1 1 51 51 PHE CD1 C 13 132.233 0.300 . 1 . . . . 51 PHE CD1 . 10047 1 634 . 1 1 51 51 PHE CD2 C 13 132.233 0.300 . 1 . . . . 51 PHE CD2 . 10047 1 635 . 1 1 51 51 PHE CE1 C 13 131.583 0.300 . 1 . . . . 51 PHE CE1 . 10047 1 636 . 1 1 51 51 PHE CE2 C 13 131.583 0.300 . 1 . . . . 51 PHE CE2 . 10047 1 637 . 1 1 51 51 PHE CZ C 13 130.004 0.300 . 1 . . . . 51 PHE CZ . 10047 1 638 . 1 1 51 51 PHE N N 15 121.494 0.300 . 1 . . . . 51 PHE N . 10047 1 639 . 1 1 52 52 GLY H H 1 8.012 0.030 . 1 . . . . 52 GLY H . 10047 1 640 . 1 1 52 52 GLY HA2 H 1 4.134 0.030 . 2 . . . . 52 GLY HA2 . 10047 1 641 . 1 1 52 52 GLY HA3 H 1 3.753 0.030 . 2 . . . . 52 GLY HA3 . 10047 1 642 . 1 1 52 52 GLY C C 13 177.237 0.300 . 1 . . . . 52 GLY C . 10047 1 643 . 1 1 52 52 GLY CA C 13 47.992 0.300 . 1 . . . . 52 GLY CA . 10047 1 644 . 1 1 52 52 GLY N N 15 105.909 0.300 . 1 . . . . 52 GLY N . 10047 1 645 . 1 1 53 53 ASP H H 1 8.899 0.030 . 1 . . . . 53 ASP H . 10047 1 646 . 1 1 53 53 ASP HA H 1 4.387 0.030 . 1 . . . . 53 ASP HA . 10047 1 647 . 1 1 53 53 ASP HB2 H 1 2.515 0.030 . 1 . . . . 53 ASP HB2 . 10047 1 648 . 1 1 53 53 ASP HB3 H 1 2.515 0.030 . 1 . . . . 53 ASP HB3 . 10047 1 649 . 1 1 53 53 ASP C C 13 179.335 0.300 . 1 . . . . 53 ASP C . 10047 1 650 . 1 1 53 53 ASP CA C 13 57.139 0.300 . 1 . . . . 53 ASP CA . 10047 1 651 . 1 1 53 53 ASP CB C 13 40.009 0.300 . 1 . . . . 53 ASP CB . 10047 1 652 . 1 1 53 53 ASP N N 15 124.253 0.300 . 1 . . . . 53 ASP N . 10047 1 653 . 1 1 54 54 THR H H 1 8.163 0.030 . 1 . . . . 54 THR H . 10047 1 654 . 1 1 54 54 THR HA H 1 3.347 0.030 . 1 . . . . 54 THR HA . 10047 1 655 . 1 1 54 54 THR HB H 1 2.720 0.030 . 1 . . . . 54 THR HB . 10047 1 656 . 1 1 54 54 THR HG21 H 1 -0.195 0.030 . 1 . . . . 54 THR HG2 . 10047 1 657 . 1 1 54 54 THR HG22 H 1 -0.195 0.030 . 1 . . . . 54 THR HG2 . 10047 1 658 . 1 1 54 54 THR HG23 H 1 -0.195 0.030 . 1 . . . . 54 THR HG2 . 10047 1 659 . 1 1 54 54 THR C C 13 175.832 0.300 . 1 . . . . 54 THR C . 10047 1 660 . 1 1 54 54 THR CA C 13 67.078 0.300 . 1 . . . . 54 THR CA . 10047 1 661 . 1 1 54 54 THR CB C 13 67.152 0.300 . 1 . . . . 54 THR CB . 10047 1 662 . 1 1 54 54 THR CG2 C 13 20.910 0.300 . 1 . . . . 54 THR CG2 . 10047 1 663 . 1 1 54 54 THR N N 15 121.474 0.300 . 1 . . . . 54 THR N . 10047 1 664 . 1 1 55 55 ARG H H 1 8.306 0.030 . 1 . . . . 55 ARG H . 10047 1 665 . 1 1 55 55 ARG HA H 1 3.918 0.030 . 1 . . . . 55 ARG HA . 10047 1 666 . 1 1 55 55 ARG HB2 H 1 2.116 0.030 . 2 . . . . 55 ARG HB2 . 10047 1 667 . 1 1 55 55 ARG HB3 H 1 1.700 0.030 . 2 . . . . 55 ARG HB3 . 10047 1 668 . 1 1 55 55 ARG HG2 H 1 1.381 0.030 . 2 . . . . 55 ARG HG2 . 10047 1 669 . 1 1 55 55 ARG HG3 H 1 2.202 0.030 . 2 . . . . 55 ARG HG3 . 10047 1 670 . 1 1 55 55 ARG HD2 H 1 2.496 0.030 . 2 . . . . 55 ARG HD2 . 10047 1 671 . 1 1 55 55 ARG HD3 H 1 2.235 0.030 . 2 . . . . 55 ARG HD3 . 10047 1 672 . 1 1 55 55 ARG C C 13 179.244 0.300 . 1 . . . . 55 ARG C . 10047 1 673 . 1 1 55 55 ARG CA C 13 61.589 0.300 . 1 . . . . 55 ARG CA . 10047 1 674 . 1 1 55 55 ARG CB C 13 31.368 0.300 . 1 . . . . 55 ARG CB . 10047 1 675 . 1 1 55 55 ARG CG C 13 30.182 0.300 . 1 . . . . 55 ARG CG . 10047 1 676 . 1 1 55 55 ARG CD C 13 43.290 0.300 . 1 . . . . 55 ARG CD . 10047 1 677 . 1 1 55 55 ARG N N 15 121.178 0.300 . 1 . . . . 55 ARG N . 10047 1 678 . 1 1 56 56 TYR H H 1 7.857 0.030 . 1 . . . . 56 TYR H . 10047 1 679 . 1 1 56 56 TYR HA H 1 4.190 0.030 . 1 . . . . 56 TYR HA . 10047 1 680 . 1 1 56 56 TYR HB2 H 1 3.198 0.030 . 1 . . . . 56 TYR HB2 . 10047 1 681 . 1 1 56 56 TYR HB3 H 1 3.198 0.030 . 1 . . . . 56 TYR HB3 . 10047 1 682 . 1 1 56 56 TYR HD1 H 1 7.110 0.030 . 1 . . . . 56 TYR HD1 . 10047 1 683 . 1 1 56 56 TYR HD2 H 1 7.110 0.030 . 1 . . . . 56 TYR HD2 . 10047 1 684 . 1 1 56 56 TYR HE1 H 1 6.674 0.030 . 1 . . . . 56 TYR HE1 . 10047 1 685 . 1 1 56 56 TYR HE2 H 1 6.674 0.030 . 1 . . . . 56 TYR HE2 . 10047 1 686 . 1 1 56 56 TYR C C 13 177.684 0.300 . 1 . . . . 56 TYR C . 10047 1 687 . 1 1 56 56 TYR CA C 13 62.265 0.300 . 1 . . . . 56 TYR CA . 10047 1 688 . 1 1 56 56 TYR CB C 13 38.044 0.300 . 1 . . . . 56 TYR CB . 10047 1 689 . 1 1 56 56 TYR CD1 C 13 133.356 0.300 . 1 . . . . 56 TYR CD1 . 10047 1 690 . 1 1 56 56 TYR CD2 C 13 133.356 0.300 . 1 . . . . 56 TYR CD2 . 10047 1 691 . 1 1 56 56 TYR CE1 C 13 118.194 0.300 . 1 . . . . 56 TYR CE1 . 10047 1 692 . 1 1 56 56 TYR CE2 C 13 118.194 0.300 . 1 . . . . 56 TYR CE2 . 10047 1 693 . 1 1 56 56 TYR N N 15 120.840 0.300 . 1 . . . . 56 TYR N . 10047 1 694 . 1 1 57 57 ALA H H 1 7.928 0.030 . 1 . . . . 57 ALA H . 10047 1 695 . 1 1 57 57 ALA HA H 1 4.001 0.030 . 1 . . . . 57 ALA HA . 10047 1 696 . 1 1 57 57 ALA HB1 H 1 1.374 0.030 . 1 . . . . 57 ALA HB . 10047 1 697 . 1 1 57 57 ALA HB2 H 1 1.374 0.030 . 1 . . . . 57 ALA HB . 10047 1 698 . 1 1 57 57 ALA HB3 H 1 1.374 0.030 . 1 . . . . 57 ALA HB . 10047 1 699 . 1 1 57 57 ALA C C 13 179.948 0.300 . 1 . . . . 57 ALA C . 10047 1 700 . 1 1 57 57 ALA CA C 13 55.039 0.300 . 1 . . . . 57 ALA CA . 10047 1 701 . 1 1 57 57 ALA CB C 13 18.738 0.300 . 1 . . . . 57 ALA CB . 10047 1 702 . 1 1 57 57 ALA N N 15 122.538 0.300 . 1 . . . . 57 ALA N . 10047 1 703 . 1 1 58 58 LEU H H 1 8.190 0.030 . 1 . . . . 58 LEU H . 10047 1 704 . 1 1 58 58 LEU HA H 1 3.889 0.030 . 1 . . . . 58 LEU HA . 10047 1 705 . 1 1 58 58 LEU HB2 H 1 1.881 0.030 . 2 . . . . 58 LEU HB2 . 10047 1 706 . 1 1 58 58 LEU HB3 H 1 1.343 0.030 . 2 . . . . 58 LEU HB3 . 10047 1 707 . 1 1 58 58 LEU HG H 1 1.302 0.030 . 1 . . . . 58 LEU HG . 10047 1 708 . 1 1 58 58 LEU HD11 H 1 0.377 0.030 . 1 . . . . 58 LEU HD1 . 10047 1 709 . 1 1 58 58 LEU HD12 H 1 0.377 0.030 . 1 . . . . 58 LEU HD1 . 10047 1 710 . 1 1 58 58 LEU HD13 H 1 0.377 0.030 . 1 . . . . 58 LEU HD1 . 10047 1 711 . 1 1 58 58 LEU HD21 H 1 0.512 0.030 . 1 . . . . 58 LEU HD2 . 10047 1 712 . 1 1 58 58 LEU HD22 H 1 0.512 0.030 . 1 . . . . 58 LEU HD2 . 10047 1 713 . 1 1 58 58 LEU HD23 H 1 0.512 0.030 . 1 . . . . 58 LEU HD2 . 10047 1 714 . 1 1 58 58 LEU C C 13 179.913 0.300 . 1 . . . . 58 LEU C . 10047 1 715 . 1 1 58 58 LEU CA C 13 57.585 0.300 . 1 . . . . 58 LEU CA . 10047 1 716 . 1 1 58 58 LEU CB C 13 41.836 0.300 . 1 . . . . 58 LEU CB . 10047 1 717 . 1 1 58 58 LEU CG C 13 26.564 0.300 . 1 . . . . 58 LEU CG . 10047 1 718 . 1 1 58 58 LEU CD1 C 13 23.359 0.300 . 2 . . . . 58 LEU CD1 . 10047 1 719 . 1 1 58 58 LEU CD2 C 13 25.409 0.300 . 2 . . . . 58 LEU CD2 . 10047 1 720 . 1 1 58 58 LEU N N 15 119.291 0.300 . 1 . . . . 58 LEU N . 10047 1 721 . 1 1 59 59 LYS H H 1 7.807 0.030 . 1 . . . . 59 LYS H . 10047 1 722 . 1 1 59 59 LYS HA H 1 3.926 0.030 . 1 . . . . 59 LYS HA . 10047 1 723 . 1 1 59 59 LYS HB2 H 1 1.784 0.030 . 2 . . . . 59 LYS HB2 . 10047 1 724 . 1 1 59 59 LYS HB3 H 1 1.638 0.030 . 2 . . . . 59 LYS HB3 . 10047 1 725 . 1 1 59 59 LYS HG2 H 1 1.196 0.030 . 2 . . . . 59 LYS HG2 . 10047 1 726 . 1 1 59 59 LYS HG3 H 1 1.013 0.030 . 2 . . . . 59 LYS HG3 . 10047 1 727 . 1 1 59 59 LYS HD2 H 1 1.618 0.030 . 2 . . . . 59 LYS HD2 . 10047 1 728 . 1 1 59 59 LYS HD3 H 1 1.535 0.030 . 2 . . . . 59 LYS HD3 . 10047 1 729 . 1 1 59 59 LYS HE2 H 1 2.911 0.030 . 1 . . . . 59 LYS HE2 . 10047 1 730 . 1 1 59 59 LYS HE3 H 1 2.911 0.030 . 1 . . . . 59 LYS HE3 . 10047 1 731 . 1 1 59 59 LYS C C 13 177.307 0.300 . 1 . . . . 59 LYS C . 10047 1 732 . 1 1 59 59 LYS CA C 13 58.203 0.300 . 1 . . . . 59 LYS CA . 10047 1 733 . 1 1 59 59 LYS CB C 13 32.114 0.300 . 1 . . . . 59 LYS CB . 10047 1 734 . 1 1 59 59 LYS CG C 13 24.535 0.300 . 1 . . . . 59 LYS CG . 10047 1 735 . 1 1 59 59 LYS CD C 13 28.997 0.300 . 1 . . . . 59 LYS CD . 10047 1 736 . 1 1 59 59 LYS CE C 13 42.174 0.300 . 1 . . . . 59 LYS CE . 10047 1 737 . 1 1 59 59 LYS N N 15 119.855 0.300 . 1 . . . . 59 LYS N . 10047 1 738 . 1 1 60 60 HIS H H 1 7.380 0.030 . 1 . . . . 60 HIS H . 10047 1 739 . 1 1 60 60 HIS HA H 1 4.477 0.030 . 1 . . . . 60 HIS HA . 10047 1 740 . 1 1 60 60 HIS HB2 H 1 3.393 0.030 . 2 . . . . 60 HIS HB2 . 10047 1 741 . 1 1 60 60 HIS HB3 H 1 2.468 0.030 . 2 . . . . 60 HIS HB3 . 10047 1 742 . 1 1 60 60 HIS HD2 H 1 6.397 0.030 . 1 . . . . 60 HIS HD2 . 10047 1 743 . 1 1 60 60 HIS HE1 H 1 7.706 0.030 . 1 . . . . 60 HIS HE1 . 10047 1 744 . 1 1 60 60 HIS C C 13 175.010 0.300 . 1 . . . . 60 HIS C . 10047 1 745 . 1 1 60 60 HIS CA C 13 56.614 0.300 . 1 . . . . 60 HIS CA . 10047 1 746 . 1 1 60 60 HIS CB C 13 29.460 0.300 . 1 . . . . 60 HIS CB . 10047 1 747 . 1 1 60 60 HIS CD2 C 13 121.423 0.300 . 1 . . . . 60 HIS CD2 . 10047 1 748 . 1 1 60 60 HIS CE1 C 13 137.441 0.300 . 1 . . . . 60 HIS CE1 . 10047 1 749 . 1 1 60 60 HIS N N 15 114.057 0.300 . 1 . . . . 60 HIS N . 10047 1 750 . 1 1 61 61 GLY H H 1 7.788 0.030 . 1 . . . . 61 GLY H . 10047 1 751 . 1 1 61 61 GLY HA2 H 1 4.034 0.030 . 2 . . . . 61 GLY HA2 . 10047 1 752 . 1 1 61 61 GLY HA3 H 1 3.956 0.030 . 2 . . . . 61 GLY HA3 . 10047 1 753 . 1 1 61 61 GLY C C 13 175.391 0.300 . 1 . . . . 61 GLY C . 10047 1 754 . 1 1 61 61 GLY CA C 13 46.916 0.300 . 1 . . . . 61 GLY CA . 10047 1 755 . 1 1 61 61 GLY N N 15 109.356 0.300 . 1 . . . . 61 GLY N . 10047 1 756 . 1 1 62 62 GLN H H 1 8.210 0.030 . 1 . . . . 62 GLN H . 10047 1 757 . 1 1 62 62 GLN HA H 1 4.387 0.030 . 1 . . . . 62 GLN HA . 10047 1 758 . 1 1 62 62 GLN HB2 H 1 1.753 0.030 . 2 . . . . 62 GLN HB2 . 10047 1 759 . 1 1 62 62 GLN HB3 H 1 2.313 0.030 . 2 . . . . 62 GLN HB3 . 10047 1 760 . 1 1 62 62 GLN HG2 H 1 2.294 0.030 . 1 . . . . 62 GLN HG2 . 10047 1 761 . 1 1 62 62 GLN HG3 H 1 2.294 0.030 . 1 . . . . 62 GLN HG3 . 10047 1 762 . 1 1 62 62 GLN HE21 H 1 6.804 0.030 . 2 . . . . 62 GLN HE21 . 10047 1 763 . 1 1 62 62 GLN HE22 H 1 7.395 0.030 . 2 . . . . 62 GLN HE22 . 10047 1 764 . 1 1 62 62 GLN C C 13 175.302 0.300 . 1 . . . . 62 GLN C . 10047 1 765 . 1 1 62 62 GLN CA C 13 54.863 0.300 . 1 . . . . 62 GLN CA . 10047 1 766 . 1 1 62 62 GLN CB C 13 29.804 0.300 . 1 . . . . 62 GLN CB . 10047 1 767 . 1 1 62 62 GLN CG C 13 33.529 0.300 . 1 . . . . 62 GLN CG . 10047 1 768 . 1 1 62 62 GLN N N 15 116.546 0.300 . 1 . . . . 62 GLN N . 10047 1 769 . 1 1 62 62 GLN NE2 N 15 111.422 0.300 . 1 . . . . 62 GLN NE2 . 10047 1 770 . 1 1 63 63 LEU H H 1 8.070 0.030 . 1 . . . . 63 LEU H . 10047 1 771 . 1 1 63 63 LEU HA H 1 4.385 0.030 . 1 . . . . 63 LEU HA . 10047 1 772 . 1 1 63 63 LEU HB2 H 1 0.926 0.030 . 1 . . . . 63 LEU HB2 . 10047 1 773 . 1 1 63 63 LEU HB3 H 1 0.926 0.030 . 1 . . . . 63 LEU HB3 . 10047 1 774 . 1 1 63 63 LEU HG H 1 0.421 0.030 . 1 . . . . 63 LEU HG . 10047 1 775 . 1 1 63 63 LEU HD11 H 1 0.434 0.030 . 1 . . . . 63 LEU HD1 . 10047 1 776 . 1 1 63 63 LEU HD12 H 1 0.434 0.030 . 1 . . . . 63 LEU HD1 . 10047 1 777 . 1 1 63 63 LEU HD13 H 1 0.434 0.030 . 1 . . . . 63 LEU HD1 . 10047 1 778 . 1 1 63 63 LEU HD21 H 1 0.350 0.030 . 1 . . . . 63 LEU HD2 . 10047 1 779 . 1 1 63 63 LEU HD22 H 1 0.350 0.030 . 1 . . . . 63 LEU HD2 . 10047 1 780 . 1 1 63 63 LEU HD23 H 1 0.350 0.030 . 1 . . . . 63 LEU HD2 . 10047 1 781 . 1 1 63 63 LEU C C 13 176.830 0.300 . 1 . . . . 63 LEU C . 10047 1 782 . 1 1 63 63 LEU CA C 13 52.911 0.300 . 1 . . . . 63 LEU CA . 10047 1 783 . 1 1 63 63 LEU CB C 13 42.377 0.300 . 1 . . . . 63 LEU CB . 10047 1 784 . 1 1 63 63 LEU CG C 13 26.751 0.300 . 1 . . . . 63 LEU CG . 10047 1 785 . 1 1 63 63 LEU CD1 C 13 24.788 0.300 . 2 . . . . 63 LEU CD1 . 10047 1 786 . 1 1 63 63 LEU CD2 C 13 25.034 0.300 . 2 . . . . 63 LEU CD2 . 10047 1 787 . 1 1 63 63 LEU N N 15 122.281 0.300 . 1 . . . . 63 LEU N . 10047 1 788 . 1 1 64 64 LYS HA H 1 4.082 0.030 . 1 . . . . 64 LYS HA . 10047 1 789 . 1 1 64 64 LYS HB2 H 1 1.950 0.030 . 2 . . . . 64 LYS HB2 . 10047 1 790 . 1 1 64 64 LYS HB3 H 1 1.884 0.030 . 2 . . . . 64 LYS HB3 . 10047 1 791 . 1 1 64 64 LYS HG2 H 1 1.450 0.030 . 2 . . . . 64 LYS HG2 . 10047 1 792 . 1 1 64 64 LYS HG3 H 1 1.535 0.030 . 2 . . . . 64 LYS HG3 . 10047 1 793 . 1 1 64 64 LYS HD2 H 1 1.693 0.030 . 1 . . . . 64 LYS HD2 . 10047 1 794 . 1 1 64 64 LYS HD3 H 1 1.693 0.030 . 1 . . . . 64 LYS HD3 . 10047 1 795 . 1 1 64 64 LYS HE2 H 1 3.050 0.030 . 1 . . . . 64 LYS HE2 . 10047 1 796 . 1 1 64 64 LYS HE3 H 1 3.050 0.030 . 1 . . . . 64 LYS HE3 . 10047 1 797 . 1 1 64 64 LYS C C 13 176.866 0.300 . 1 . . . . 64 LYS C . 10047 1 798 . 1 1 64 64 LYS CA C 13 58.637 0.300 . 1 . . . . 64 LYS CA . 10047 1 799 . 1 1 64 64 LYS CB C 13 32.253 0.300 . 1 . . . . 64 LYS CB . 10047 1 800 . 1 1 64 64 LYS CG C 13 25.093 0.300 . 1 . . . . 64 LYS CG . 10047 1 801 . 1 1 64 64 LYS CD C 13 28.927 0.300 . 1 . . . . 64 LYS CD . 10047 1 802 . 1 1 64 64 LYS CE C 13 42.244 0.300 . 1 . . . . 64 LYS CE . 10047 1 803 . 1 1 65 65 TRP H H 1 6.871 0.030 . 1 . . . . 65 TRP H . 10047 1 804 . 1 1 65 65 TRP HA H 1 4.676 0.030 . 1 . . . . 65 TRP HA . 10047 1 805 . 1 1 65 65 TRP HB2 H 1 3.626 0.030 . 2 . . . . 65 TRP HB2 . 10047 1 806 . 1 1 65 65 TRP HB3 H 1 3.200 0.030 . 2 . . . . 65 TRP HB3 . 10047 1 807 . 1 1 65 65 TRP HD1 H 1 7.513 0.030 . 1 . . . . 65 TRP HD1 . 10047 1 808 . 1 1 65 65 TRP HE1 H 1 10.671 0.030 . 1 . . . . 65 TRP HE1 . 10047 1 809 . 1 1 65 65 TRP HE3 H 1 7.353 0.030 . 1 . . . . 65 TRP HE3 . 10047 1 810 . 1 1 65 65 TRP HZ2 H 1 7.369 0.030 . 1 . . . . 65 TRP HZ2 . 10047 1 811 . 1 1 65 65 TRP HZ3 H 1 7.569 0.030 . 1 . . . . 65 TRP HZ3 . 10047 1 812 . 1 1 65 65 TRP HH2 H 1 7.110 0.030 . 1 . . . . 65 TRP HH2 . 10047 1 813 . 1 1 65 65 TRP C C 13 175.947 0.300 . 1 . . . . 65 TRP C . 10047 1 814 . 1 1 65 65 TRP CA C 13 54.856 0.300 . 1 . . . . 65 TRP CA . 10047 1 815 . 1 1 65 65 TRP CB C 13 29.253 0.300 . 1 . . . . 65 TRP CB . 10047 1 816 . 1 1 65 65 TRP CD1 C 13 128.176 0.300 . 1 . . . . 65 TRP CD1 . 10047 1 817 . 1 1 65 65 TRP CE3 C 13 121.821 0.300 . 1 . . . . 65 TRP CE3 . 10047 1 818 . 1 1 65 65 TRP CZ2 C 13 115.575 0.300 . 1 . . . . 65 TRP CZ2 . 10047 1 819 . 1 1 65 65 TRP CZ3 C 13 121.563 0.300 . 1 . . . . 65 TRP CZ3 . 10047 1 820 . 1 1 65 65 TRP CH2 C 13 124.917 0.300 . 1 . . . . 65 TRP CH2 . 10047 1 821 . 1 1 65 65 TRP N N 15 112.045 0.300 . 1 . . . . 65 TRP N . 10047 1 822 . 1 1 65 65 TRP NE1 N 15 131.801 0.300 . 1 . . . . 65 TRP NE1 . 10047 1 823 . 1 1 66 66 PHE H H 1 7.073 0.030 . 1 . . . . 66 PHE H . 10047 1 824 . 1 1 66 66 PHE HA H 1 4.305 0.030 . 1 . . . . 66 PHE HA . 10047 1 825 . 1 1 66 66 PHE HB2 H 1 2.847 0.030 . 2 . . . . 66 PHE HB2 . 10047 1 826 . 1 1 66 66 PHE HB3 H 1 2.146 0.030 . 2 . . . . 66 PHE HB3 . 10047 1 827 . 1 1 66 66 PHE HD1 H 1 7.077 0.030 . 1 . . . . 66 PHE HD1 . 10047 1 828 . 1 1 66 66 PHE HD2 H 1 7.077 0.030 . 1 . . . . 66 PHE HD2 . 10047 1 829 . 1 1 66 66 PHE HE1 H 1 7.348 0.030 . 1 . . . . 66 PHE HE1 . 10047 1 830 . 1 1 66 66 PHE HE2 H 1 7.348 0.030 . 1 . . . . 66 PHE HE2 . 10047 1 831 . 1 1 66 66 PHE HZ H 1 7.222 0.030 . 1 . . . . 66 PHE HZ . 10047 1 832 . 1 1 66 66 PHE C C 13 174.398 0.300 . 1 . . . . 66 PHE C . 10047 1 833 . 1 1 66 66 PHE CA C 13 59.057 0.300 . 1 . . . . 66 PHE CA . 10047 1 834 . 1 1 66 66 PHE CB C 13 40.009 0.300 . 1 . . . . 66 PHE CB . 10047 1 835 . 1 1 66 66 PHE CD1 C 13 131.706 0.300 . 1 . . . . 66 PHE CD1 . 10047 1 836 . 1 1 66 66 PHE CD2 C 13 131.706 0.300 . 1 . . . . 66 PHE CD2 . 10047 1 837 . 1 1 66 66 PHE CE1 C 13 131.689 0.300 . 1 . . . . 66 PHE CE1 . 10047 1 838 . 1 1 66 66 PHE CE2 C 13 131.689 0.300 . 1 . . . . 66 PHE CE2 . 10047 1 839 . 1 1 66 66 PHE CZ C 13 130.089 0.300 . 1 . . . . 66 PHE CZ . 10047 1 840 . 1 1 66 66 PHE N N 15 122.542 0.300 . 1 . . . . 66 PHE N . 10047 1 841 . 1 1 67 67 ARG H H 1 7.234 0.030 . 1 . . . . 67 ARG H . 10047 1 842 . 1 1 67 67 ARG HA H 1 4.339 0.030 . 1 . . . . 67 ARG HA . 10047 1 843 . 1 1 67 67 ARG HB2 H 1 1.725 0.030 . 2 . . . . 67 ARG HB2 . 10047 1 844 . 1 1 67 67 ARG HB3 H 1 1.841 0.030 . 2 . . . . 67 ARG HB3 . 10047 1 845 . 1 1 67 67 ARG HG2 H 1 1.572 0.030 . 1 . . . . 67 ARG HG2 . 10047 1 846 . 1 1 67 67 ARG HG3 H 1 1.572 0.030 . 1 . . . . 67 ARG HG3 . 10047 1 847 . 1 1 67 67 ARG HD2 H 1 3.200 0.030 . 1 . . . . 67 ARG HD2 . 10047 1 848 . 1 1 67 67 ARG HD3 H 1 3.200 0.030 . 1 . . . . 67 ARG HD3 . 10047 1 849 . 1 1 67 67 ARG C C 13 175.252 0.300 . 1 . . . . 67 ARG C . 10047 1 850 . 1 1 67 67 ARG CA C 13 55.672 0.300 . 1 . . . . 67 ARG CA . 10047 1 851 . 1 1 67 67 ARG CB C 13 31.493 0.300 . 1 . . . . 67 ARG CB . 10047 1 852 . 1 1 67 67 ARG CG C 13 26.766 0.300 . 1 . . . . 67 ARG CG . 10047 1 853 . 1 1 67 67 ARG CD C 13 43.429 0.300 . 1 . . . . 67 ARG CD . 10047 1 854 . 1 1 67 67 ARG N N 15 122.370 0.300 . 1 . . . . 67 ARG N . 10047 1 855 . 1 1 68 68 ASP H H 1 8.290 0.030 . 1 . . . . 68 ASP H . 10047 1 856 . 1 1 68 68 ASP HA H 1 4.537 0.030 . 1 . . . . 68 ASP HA . 10047 1 857 . 1 1 68 68 ASP HB2 H 1 2.729 0.030 . 2 . . . . 68 ASP HB2 . 10047 1 858 . 1 1 68 68 ASP HB3 H 1 2.670 0.030 . 2 . . . . 68 ASP HB3 . 10047 1 859 . 1 1 68 68 ASP C C 13 176.141 0.300 . 1 . . . . 68 ASP C . 10047 1 860 . 1 1 68 68 ASP CA C 13 54.406 0.300 . 1 . . . . 68 ASP CA . 10047 1 861 . 1 1 68 68 ASP CB C 13 41.284 0.300 . 1 . . . . 68 ASP CB . 10047 1 862 . 1 1 68 68 ASP N N 15 120.973 0.300 . 1 . . . . 68 ASP N . 10047 1 863 . 1 1 69 69 ASN H H 1 8.324 0.030 . 1 . . . . 69 ASN H . 10047 1 864 . 1 1 69 69 ASN HA H 1 4.690 0.030 . 1 . . . . 69 ASN HA . 10047 1 865 . 1 1 69 69 ASN HB2 H 1 2.780 0.030 . 2 . . . . 69 ASN HB2 . 10047 1 866 . 1 1 69 69 ASN HB3 H 1 2.839 0.030 . 2 . . . . 69 ASN HB3 . 10047 1 867 . 1 1 69 69 ASN HD21 H 1 7.617 0.030 . 2 . . . . 69 ASN HD21 . 10047 1 868 . 1 1 69 69 ASN HD22 H 1 6.904 0.030 . 2 . . . . 69 ASN HD22 . 10047 1 869 . 1 1 69 69 ASN C C 13 175.263 0.300 . 1 . . . . 69 ASN C . 10047 1 870 . 1 1 69 69 ASN CA C 13 53.608 0.300 . 1 . . . . 69 ASN CA . 10047 1 871 . 1 1 69 69 ASN CB C 13 39.074 0.300 . 1 . . . . 69 ASN CB . 10047 1 872 . 1 1 69 69 ASN N N 15 119.295 0.300 . 1 . . . . 69 ASN N . 10047 1 873 . 1 1 69 69 ASN ND2 N 15 112.993 0.300 . 1 . . . . 69 ASN ND2 . 10047 1 874 . 1 1 70 70 ALA H H 1 8.302 0.030 . 1 . . . . 70 ALA H . 10047 1 875 . 1 1 70 70 ALA HA H 1 4.361 0.030 . 1 . . . . 70 ALA HA . 10047 1 876 . 1 1 70 70 ALA HB1 H 1 1.416 0.030 . 1 . . . . 70 ALA HB . 10047 1 877 . 1 1 70 70 ALA HB2 H 1 1.416 0.030 . 1 . . . . 70 ALA HB . 10047 1 878 . 1 1 70 70 ALA HB3 H 1 1.416 0.030 . 1 . . . . 70 ALA HB . 10047 1 879 . 1 1 70 70 ALA C C 13 177.857 0.300 . 1 . . . . 70 ALA C . 10047 1 880 . 1 1 70 70 ALA CA C 13 52.925 0.300 . 1 . . . . 70 ALA CA . 10047 1 881 . 1 1 70 70 ALA CB C 13 19.306 0.300 . 1 . . . . 70 ALA CB . 10047 1 882 . 1 1 70 70 ALA N N 15 123.840 0.300 . 1 . . . . 70 ALA N . 10047 1 883 . 1 1 71 71 SER H H 1 8.210 0.030 . 1 . . . . 71 SER H . 10047 1 884 . 1 1 71 71 SER HA H 1 4.504 0.030 . 1 . . . . 71 SER HA . 10047 1 885 . 1 1 71 71 SER HB2 H 1 3.933 0.030 . 2 . . . . 71 SER HB2 . 10047 1 886 . 1 1 71 71 SER HB3 H 1 3.898 0.030 . 2 . . . . 71 SER HB3 . 10047 1 887 . 1 1 71 71 SER C C 13 174.629 0.300 . 1 . . . . 71 SER C . 10047 1 888 . 1 1 71 71 SER CA C 13 58.439 0.300 . 1 . . . . 71 SER CA . 10047 1 889 . 1 1 71 71 SER CB C 13 64.105 0.300 . 1 . . . . 71 SER CB . 10047 1 890 . 1 1 71 71 SER N N 15 114.501 0.300 . 1 . . . . 71 SER N . 10047 1 891 . 1 1 72 72 GLY H H 1 8.148 0.030 . 1 . . . . 72 GLY H . 10047 1 892 . 1 1 72 72 GLY HA2 H 1 4.171 0.030 . 2 . . . . 72 GLY HA2 . 10047 1 893 . 1 1 72 72 GLY HA3 H 1 4.120 0.030 . 2 . . . . 72 GLY HA3 . 10047 1 894 . 1 1 72 72 GLY C C 13 171.787 0.300 . 1 . . . . 72 GLY C . 10047 1 895 . 1 1 72 72 GLY CA C 13 44.725 0.300 . 1 . . . . 72 GLY CA . 10047 1 896 . 1 1 72 72 GLY N N 15 110.446 0.300 . 1 . . . . 72 GLY N . 10047 1 897 . 1 1 73 73 PRO HA H 1 4.504 0.030 . 1 . . . . 73 PRO HA . 10047 1 898 . 1 1 73 73 PRO HB2 H 1 2.303 0.030 . 2 . . . . 73 PRO HB2 . 10047 1 899 . 1 1 73 73 PRO HB3 H 1 2.013 0.030 . 2 . . . . 73 PRO HB3 . 10047 1 900 . 1 1 73 73 PRO HG2 H 1 2.037 0.030 . 1 . . . . 73 PRO HG2 . 10047 1 901 . 1 1 73 73 PRO HG3 H 1 2.037 0.030 . 1 . . . . 73 PRO HG3 . 10047 1 902 . 1 1 73 73 PRO HD2 H 1 3.643 0.030 . 1 . . . . 73 PRO HD2 . 10047 1 903 . 1 1 73 73 PRO HD3 H 1 3.643 0.030 . 1 . . . . 73 PRO HD3 . 10047 1 904 . 1 1 73 73 PRO C C 13 177.406 0.300 . 1 . . . . 73 PRO C . 10047 1 905 . 1 1 73 73 PRO CA C 13 63.256 0.300 . 1 . . . . 73 PRO CA . 10047 1 906 . 1 1 73 73 PRO CB C 13 32.253 0.300 . 1 . . . . 73 PRO CB . 10047 1 907 . 1 1 73 73 PRO CG C 13 27.261 0.300 . 1 . . . . 73 PRO CG . 10047 1 908 . 1 1 73 73 PRO CD C 13 49.913 0.300 . 1 . . . . 73 PRO CD . 10047 1 909 . 1 1 74 74 SER H H 1 8.525 0.030 . 1 . . . . 74 SER H . 10047 1 910 . 1 1 74 74 SER HA H 1 4.504 0.030 . 1 . . . . 74 SER HA . 10047 1 911 . 1 1 74 74 SER HB2 H 1 3.918 0.030 . 1 . . . . 74 SER HB2 . 10047 1 912 . 1 1 74 74 SER HB3 H 1 3.918 0.030 . 1 . . . . 74 SER HB3 . 10047 1 913 . 1 1 74 74 SER C C 13 174.593 0.300 . 1 . . . . 74 SER C . 10047 1 914 . 1 1 74 74 SER CA C 13 58.388 0.300 . 1 . . . . 74 SER CA . 10047 1 915 . 1 1 74 74 SER CB C 13 63.800 0.300 . 1 . . . . 74 SER CB . 10047 1 916 . 1 1 74 74 SER N N 15 116.392 0.300 . 1 . . . . 74 SER N . 10047 1 stop_ save_