data_10069 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10069 _Entry.Title ; Solution structure of the Villin headpiece domain of human actin-binding LIM protein homologue (KIAA0843 protein) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-12-25 _Entry.Accession_date 2006-12-26 _Entry.Last_release_date 2008-08-14 _Entry.Original_release_date 2008-08-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 10069 2 S. Koshiba . . . 10069 3 T. Kigawa . . . 10069 4 S. Yokoyama . . . 10069 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' . 10069 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10069 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 402 10069 '15N chemical shifts' 98 10069 '1H chemical shifts' 620 10069 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-14 2006-12-25 original author . 10069 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UJS 'BMRB Entry Tracking System' 10069 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10069 _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 Villin headpiece domain of human actin-binding LIM protein homologue (KIAA0843 protein) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Tochio . . . 10069 1 2 S. Koshiba . . . 10069 1 3 T. Kigawa . . . 10069 1 4 S. Yokoyama . . . 10069 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10069 _Assembly.ID 1 _Assembly.Name 'actin-binding LIM protein homologue' _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' 10069 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 'actin-binding LIM protein homologue' 1 $entity_1 . . yes native no no . . . 10069 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 1UJS . . . . . . 10069 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10069 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'VHP 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 ; GSSGSSGNAVNWGMREYKIY PYELLLVTTRGRNRLPKDVD RTRLERHLSQEEFYQVFGMT ISEFDRLALWKRNELKKQAR LFSGPSSG ; _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 88 _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 1UJS . "Solution Structure Of The Villin Headpiece Domain Of Human Actin-Binding Lim Protein Homologue (Kiaa0843 Protein)" . . . . . 100.00 88 100.00 100.00 1.17e-56 . . . . 10069 1 2 no DBJ BAA74866 . "KIAA0843 protein [Homo sapiens]" . . . . . 87.50 683 98.70 98.70 1.46e-44 . . . . 10069 1 3 no DBJ BAD32318 . "mKIAA0843 protein [Mus musculus]" . . . . . 87.50 690 97.40 98.70 7.44e-44 . . . . 10069 1 4 no DBJ BAD38663 . "putative protein product of HMFN1661 [Homo sapiens]" . . . . . 87.50 169 98.70 98.70 3.29e-47 . . . . 10069 1 5 no DBJ BAF82425 . "unnamed protein product [Homo sapiens]" . . . . . 87.50 683 98.70 98.70 1.58e-44 . . . . 10069 1 6 no DBJ BAG09865 . "actin-binding LIM protein 3 [synthetic construct]" . . . . . 87.50 683 98.70 98.70 1.46e-44 . . . . 10069 1 7 no EMBL CAH56270 . "hypothetical protein [Homo sapiens]" . . . . . 87.50 472 98.70 98.70 5.07e-45 . . . . 10069 1 8 no EMBL CAH92935 . "hypothetical protein [Pongo abelii]" . . . . . 87.50 588 98.70 98.70 1.20e-44 . . . . 10069 1 9 no EMBL CAL37473 . "hypothetical protein, partial [synthetic construct]" . . . . . 87.50 588 98.70 98.70 1.10e-44 . . . . 10069 1 10 no EMBL CAL37581 . "hypothetical protein, partial [synthetic construct]" . . . . . 87.50 572 97.40 97.40 2.39e-43 . . . . 10069 1 11 no EMBL CAL37743 . "hypothetical protein [synthetic construct]" . . . . . 87.50 588 98.70 98.70 1.10e-44 . . . . 10069 1 12 no GB AAH60275 . "Ablim3 protein [Mus musculus]" . . . . . 87.50 682 97.40 98.70 7.34e-44 . . . . 10069 1 13 no GB AAH94229 . "Actin binding LIM protein family, member 3 [Mus musculus]" . . . . . 87.50 682 97.40 98.70 7.49e-44 . . . . 10069 1 14 no GB AAI42520 . "ABLIM3 protein [Bos taurus]" . . . . . 87.50 683 98.70 98.70 1.31e-44 . . . . 10069 1 15 no GB ABD83327 . "actin-binding LIM protein 3 [Homo sapiens]" . . . . . 87.50 650 98.70 98.70 1.49e-44 . . . . 10069 1 16 no GB EAW61788 . "actin binding LIM protein family, member 3, isoform CRA_a [Homo sapiens]" . . . . . 87.50 683 98.70 98.70 1.46e-44 . . . . 10069 1 17 no REF NP_001092597 . "actin-binding LIM protein 3 [Bos taurus]" . . . . . 87.50 683 98.70 98.70 1.31e-44 . . . . 10069 1 18 no REF NP_001126727 . "actin-binding LIM protein 3 [Pongo abelii]" . . . . . 87.50 588 98.70 98.70 1.20e-44 . . . . 10069 1 19 no REF NP_001157963 . "actin-binding LIM protein 3 [Mus musculus]" . . . . . 87.50 682 97.40 98.70 7.49e-44 . . . . 10069 1 20 no REF NP_001178627 . "actin-binding LIM protein 3 [Rattus norvegicus]" . . . . . 87.50 683 97.40 98.70 6.75e-44 . . . . 10069 1 21 no REF NP_001287944 . "actin-binding LIM protein 3 isoform 1 [Homo sapiens]" . . . . . 87.50 683 98.70 98.70 1.46e-44 . . . . 10069 1 22 no SP O94929 . "RecName: Full=Actin-binding LIM protein 3; Short=abLIM-3; AltName: Full=Actin-binding LIM protein family member 3" . . . . . 87.50 683 98.70 98.70 1.46e-44 . . . . 10069 1 23 no SP Q69ZX8 . "RecName: Full=Actin-binding LIM protein 3; Short=abLIM-3; AltName: Full=Actin-binding LIM protein family member 3" . . . . . 87.50 682 97.40 98.70 7.49e-44 . . . . 10069 1 24 no TPG DAA27290 . "TPA: actin binding LIM protein family, member 3 [Bos taurus]" . . . . . 87.50 683 98.70 98.70 1.31e-44 . . . . 10069 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'VHP domain' . 10069 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 . 10069 1 2 . SER . 10069 1 3 . SER . 10069 1 4 . GLY . 10069 1 5 . SER . 10069 1 6 . SER . 10069 1 7 . GLY . 10069 1 8 . ASN . 10069 1 9 . ALA . 10069 1 10 . VAL . 10069 1 11 . ASN . 10069 1 12 . TRP . 10069 1 13 . GLY . 10069 1 14 . MET . 10069 1 15 . ARG . 10069 1 16 . GLU . 10069 1 17 . TYR . 10069 1 18 . LYS . 10069 1 19 . ILE . 10069 1 20 . TYR . 10069 1 21 . PRO . 10069 1 22 . TYR . 10069 1 23 . GLU . 10069 1 24 . LEU . 10069 1 25 . LEU . 10069 1 26 . LEU . 10069 1 27 . VAL . 10069 1 28 . THR . 10069 1 29 . THR . 10069 1 30 . ARG . 10069 1 31 . GLY . 10069 1 32 . ARG . 10069 1 33 . ASN . 10069 1 34 . ARG . 10069 1 35 . LEU . 10069 1 36 . PRO . 10069 1 37 . LYS . 10069 1 38 . ASP . 10069 1 39 . VAL . 10069 1 40 . ASP . 10069 1 41 . ARG . 10069 1 42 . THR . 10069 1 43 . ARG . 10069 1 44 . LEU . 10069 1 45 . GLU . 10069 1 46 . ARG . 10069 1 47 . HIS . 10069 1 48 . LEU . 10069 1 49 . SER . 10069 1 50 . GLN . 10069 1 51 . GLU . 10069 1 52 . GLU . 10069 1 53 . PHE . 10069 1 54 . TYR . 10069 1 55 . GLN . 10069 1 56 . VAL . 10069 1 57 . PHE . 10069 1 58 . GLY . 10069 1 59 . MET . 10069 1 60 . THR . 10069 1 61 . ILE . 10069 1 62 . SER . 10069 1 63 . GLU . 10069 1 64 . PHE . 10069 1 65 . ASP . 10069 1 66 . ARG . 10069 1 67 . LEU . 10069 1 68 . ALA . 10069 1 69 . LEU . 10069 1 70 . TRP . 10069 1 71 . LYS . 10069 1 72 . ARG . 10069 1 73 . ASN . 10069 1 74 . GLU . 10069 1 75 . LEU . 10069 1 76 . LYS . 10069 1 77 . LYS . 10069 1 78 . GLN . 10069 1 79 . ALA . 10069 1 80 . ARG . 10069 1 81 . LEU . 10069 1 82 . PHE . 10069 1 83 . SER . 10069 1 84 . GLY . 10069 1 85 . PRO . 10069 1 86 . SER . 10069 1 87 . SER . 10069 1 88 . GLY . 10069 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 10069 1 . SER 2 2 10069 1 . SER 3 3 10069 1 . GLY 4 4 10069 1 . SER 5 5 10069 1 . SER 6 6 10069 1 . GLY 7 7 10069 1 . ASN 8 8 10069 1 . ALA 9 9 10069 1 . VAL 10 10 10069 1 . ASN 11 11 10069 1 . TRP 12 12 10069 1 . GLY 13 13 10069 1 . MET 14 14 10069 1 . ARG 15 15 10069 1 . GLU 16 16 10069 1 . TYR 17 17 10069 1 . LYS 18 18 10069 1 . ILE 19 19 10069 1 . TYR 20 20 10069 1 . PRO 21 21 10069 1 . TYR 22 22 10069 1 . GLU 23 23 10069 1 . LEU 24 24 10069 1 . LEU 25 25 10069 1 . LEU 26 26 10069 1 . VAL 27 27 10069 1 . THR 28 28 10069 1 . THR 29 29 10069 1 . ARG 30 30 10069 1 . GLY 31 31 10069 1 . ARG 32 32 10069 1 . ASN 33 33 10069 1 . ARG 34 34 10069 1 . LEU 35 35 10069 1 . PRO 36 36 10069 1 . LYS 37 37 10069 1 . ASP 38 38 10069 1 . VAL 39 39 10069 1 . ASP 40 40 10069 1 . ARG 41 41 10069 1 . THR 42 42 10069 1 . ARG 43 43 10069 1 . LEU 44 44 10069 1 . GLU 45 45 10069 1 . ARG 46 46 10069 1 . HIS 47 47 10069 1 . LEU 48 48 10069 1 . SER 49 49 10069 1 . GLN 50 50 10069 1 . GLU 51 51 10069 1 . GLU 52 52 10069 1 . PHE 53 53 10069 1 . TYR 54 54 10069 1 . GLN 55 55 10069 1 . VAL 56 56 10069 1 . PHE 57 57 10069 1 . GLY 58 58 10069 1 . MET 59 59 10069 1 . THR 60 60 10069 1 . ILE 61 61 10069 1 . SER 62 62 10069 1 . GLU 63 63 10069 1 . PHE 64 64 10069 1 . ASP 65 65 10069 1 . ARG 66 66 10069 1 . LEU 67 67 10069 1 . ALA 68 68 10069 1 . LEU 69 69 10069 1 . TRP 70 70 10069 1 . LYS 71 71 10069 1 . ARG 72 72 10069 1 . ASN 73 73 10069 1 . GLU 74 74 10069 1 . LEU 75 75 10069 1 . LYS 76 76 10069 1 . LYS 77 77 10069 1 . GLN 78 78 10069 1 . ALA 79 79 10069 1 . ARG 80 80 10069 1 . LEU 81 81 10069 1 . PHE 82 82 10069 1 . SER 83 83 10069 1 . GLY 84 84 10069 1 . PRO 85 85 10069 1 . SER 86 86 10069 1 . SER 87 87 10069 1 . GLY 88 88 10069 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 10069 _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 . . . . . . . . . . . . . . . . . . . . . 10069 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 10069 _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 . . P020930-61 . . . . . . 10069 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10069 _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 'VHP domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.2 . . mM . . . . 10069 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10069 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10069 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 10069 1 5 H2O . . . . . . solvent 90 . . % . . . . 10069 1 6 D2O . . . . . . solvent 10 . . % . . . . 10069 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 10069 _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 10069 1 pH 6.0 0.05 pH 10069 1 pressure 1 0.001 atm 10069 1 temperature 298 0.1 K 10069 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10069 _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 . . 10069 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10069 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10069 _Software.ID 2 _Software.Name NMRPipe _Software.Version 200204025 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10069 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10069 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10069 _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.' . . 10069 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10069 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10069 _Software.ID 4 _Software.Name Kujira _Software.Version 0.816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10069 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10069 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10069 _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.' . . 10069 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10069 5 'structure solution' 10069 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 10069 _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 10069 _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 . . . . . . . . . . . . . . . . 10069 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10069 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 10069 _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 10069 _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 10069 _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 . . . . . . . . . 10069 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10069 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10069 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 10069 _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 10069 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10069 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 2 2 SER C C 13 174.408 0.300 . 1 . . . . 2 SER C . 10069 1 2 . 1 1 2 2 SER CA C 13 58.354 0.300 . 1 . . . . 2 SER CA . 10069 1 3 . 1 1 2 2 SER CB C 13 64.027 0.300 . 1 . . . . 2 SER CB . 10069 1 4 . 1 1 3 3 SER H H 1 8.592 0.030 . 1 . . . . 3 SER H . 10069 1 5 . 1 1 3 3 SER C C 13 174.675 0.300 . 1 . . . . 3 SER C . 10069 1 6 . 1 1 3 3 SER CA C 13 58.478 0.300 . 1 . . . . 3 SER CA . 10069 1 7 . 1 1 3 3 SER CB C 13 63.973 0.300 . 1 . . . . 3 SER CB . 10069 1 8 . 1 1 3 3 SER N N 15 118.150 0.300 . 1 . . . . 3 SER N . 10069 1 9 . 1 1 4 4 GLY H H 1 8.478 0.030 . 1 . . . . 4 GLY H . 10069 1 10 . 1 1 4 4 GLY HA2 H 1 4.045 0.030 . 1 . . . . 4 GLY HA2 . 10069 1 11 . 1 1 4 4 GLY HA3 H 1 4.045 0.030 . 1 . . . . 4 GLY HA3 . 10069 1 12 . 1 1 4 4 GLY C C 13 173.947 0.300 . 1 . . . . 4 GLY C . 10069 1 13 . 1 1 4 4 GLY CA C 13 45.556 0.300 . 1 . . . . 4 GLY CA . 10069 1 14 . 1 1 4 4 GLY N N 15 110.940 0.300 . 1 . . . . 4 GLY N . 10069 1 15 . 1 1 5 5 SER H H 1 8.296 0.030 . 1 . . . . 5 SER H . 10069 1 16 . 1 1 5 5 SER C C 13 174.505 0.300 . 1 . . . . 5 SER C . 10069 1 17 . 1 1 5 5 SER CA C 13 58.348 0.300 . 1 . . . . 5 SER CA . 10069 1 18 . 1 1 5 5 SER CB C 13 64.026 0.300 . 1 . . . . 5 SER CB . 10069 1 19 . 1 1 5 5 SER N N 15 115.780 0.300 . 1 . . . . 5 SER N . 10069 1 20 . 1 1 6 6 SER H H 1 8.449 0.030 . 1 . . . . 6 SER H . 10069 1 21 . 1 1 6 6 SER C C 13 174.675 0.300 . 1 . . . . 6 SER C . 10069 1 22 . 1 1 6 6 SER CA C 13 58.667 0.300 . 1 . . . . 6 SER CA . 10069 1 23 . 1 1 6 6 SER CB C 13 63.955 0.300 . 1 . . . . 6 SER CB . 10069 1 24 . 1 1 6 6 SER N N 15 117.859 0.300 . 1 . . . . 6 SER N . 10069 1 25 . 1 1 7 7 GLY H H 1 8.402 0.030 . 1 . . . . 7 GLY H . 10069 1 26 . 1 1 7 7 GLY HA2 H 1 3.985 0.030 . 1 . . . . 7 GLY HA2 . 10069 1 27 . 1 1 7 7 GLY HA3 H 1 3.985 0.030 . 1 . . . . 7 GLY HA3 . 10069 1 28 . 1 1 7 7 GLY C C 13 173.534 0.300 . 1 . . . . 7 GLY C . 10069 1 29 . 1 1 7 7 GLY CA C 13 45.460 0.300 . 1 . . . . 7 GLY CA . 10069 1 30 . 1 1 7 7 GLY N N 15 110.488 0.300 . 1 . . . . 7 GLY N . 10069 1 31 . 1 1 8 8 ASN H H 1 8.275 0.030 . 1 . . . . 8 ASN H . 10069 1 32 . 1 1 8 8 ASN HA H 1 4.724 0.030 . 1 . . . . 8 ASN HA . 10069 1 33 . 1 1 8 8 ASN HB2 H 1 2.740 0.030 . 1 . . . . 8 ASN HB2 . 10069 1 34 . 1 1 8 8 ASN HB3 H 1 2.740 0.030 . 1 . . . . 8 ASN HB3 . 10069 1 35 . 1 1 8 8 ASN HD21 H 1 7.556 0.030 . 2 . . . . 8 ASN HD21 . 10069 1 36 . 1 1 8 8 ASN HD22 H 1 6.915 0.030 . 2 . . . . 8 ASN HD22 . 10069 1 37 . 1 1 8 8 ASN C C 13 174.432 0.300 . 1 . . . . 8 ASN C . 10069 1 38 . 1 1 8 8 ASN CA C 13 53.180 0.300 . 1 . . . . 8 ASN CA . 10069 1 39 . 1 1 8 8 ASN CB C 13 39.097 0.300 . 1 . . . . 8 ASN CB . 10069 1 40 . 1 1 8 8 ASN N N 15 118.671 0.300 . 1 . . . . 8 ASN N . 10069 1 41 . 1 1 8 8 ASN ND2 N 15 112.808 0.300 . 1 . . . . 8 ASN ND2 . 10069 1 42 . 1 1 9 9 ALA H H 1 8.211 0.030 . 1 . . . . 9 ALA H . 10069 1 43 . 1 1 9 9 ALA HA H 1 4.363 0.030 . 1 . . . . 9 ALA HA . 10069 1 44 . 1 1 9 9 ALA HB1 H 1 1.356 0.030 . 1 . . . . 9 ALA HB . 10069 1 45 . 1 1 9 9 ALA HB2 H 1 1.356 0.030 . 1 . . . . 9 ALA HB . 10069 1 46 . 1 1 9 9 ALA HB3 H 1 1.356 0.030 . 1 . . . . 9 ALA HB . 10069 1 47 . 1 1 9 9 ALA C C 13 177.030 0.300 . 1 . . . . 9 ALA C . 10069 1 48 . 1 1 9 9 ALA CA C 13 52.578 0.300 . 1 . . . . 9 ALA CA . 10069 1 49 . 1 1 9 9 ALA CB C 13 19.603 0.300 . 1 . . . . 9 ALA CB . 10069 1 50 . 1 1 9 9 ALA N N 15 124.095 0.300 . 1 . . . . 9 ALA N . 10069 1 51 . 1 1 10 10 VAL H H 1 8.073 0.030 . 1 . . . . 10 VAL H . 10069 1 52 . 1 1 10 10 VAL HA H 1 4.047 0.030 . 1 . . . . 10 VAL HA . 10069 1 53 . 1 1 10 10 VAL HB H 1 1.901 0.030 . 1 . . . . 10 VAL HB . 10069 1 54 . 1 1 10 10 VAL HG11 H 1 0.836 0.030 . 1 . . . . 10 VAL HG1 . 10069 1 55 . 1 1 10 10 VAL HG12 H 1 0.836 0.030 . 1 . . . . 10 VAL HG1 . 10069 1 56 . 1 1 10 10 VAL HG13 H 1 0.836 0.030 . 1 . . . . 10 VAL HG1 . 10069 1 57 . 1 1 10 10 VAL HG21 H 1 0.706 0.030 . 1 . . . . 10 VAL HG2 . 10069 1 58 . 1 1 10 10 VAL HG22 H 1 0.706 0.030 . 1 . . . . 10 VAL HG2 . 10069 1 59 . 1 1 10 10 VAL HG23 H 1 0.706 0.030 . 1 . . . . 10 VAL HG2 . 10069 1 60 . 1 1 10 10 VAL C C 13 175.209 0.300 . 1 . . . . 10 VAL C . 10069 1 61 . 1 1 10 10 VAL CA C 13 62.173 0.300 . 1 . . . . 10 VAL CA . 10069 1 62 . 1 1 10 10 VAL CB C 13 33.059 0.300 . 1 . . . . 10 VAL CB . 10069 1 63 . 1 1 10 10 VAL CG1 C 13 20.486 0.300 . 2 . . . . 10 VAL CG1 . 10069 1 64 . 1 1 10 10 VAL CG2 C 13 20.919 0.300 . 2 . . . . 10 VAL CG2 . 10069 1 65 . 1 1 10 10 VAL N N 15 118.716 0.300 . 1 . . . . 10 VAL N . 10069 1 66 . 1 1 11 11 ASN H H 1 8.344 0.030 . 1 . . . . 11 ASN H . 10069 1 67 . 1 1 11 11 ASN HA H 1 4.828 0.030 . 1 . . . . 11 ASN HA . 10069 1 68 . 1 1 11 11 ASN HB2 H 1 2.793 0.030 . 2 . . . . 11 ASN HB2 . 10069 1 69 . 1 1 11 11 ASN HB3 H 1 2.708 0.030 . 2 . . . . 11 ASN HB3 . 10069 1 70 . 1 1 11 11 ASN HD21 H 1 7.524 0.030 . 2 . . . . 11 ASN HD21 . 10069 1 71 . 1 1 11 11 ASN HD22 H 1 6.860 0.030 . 2 . . . . 11 ASN HD22 . 10069 1 72 . 1 1 11 11 ASN C C 13 174.699 0.300 . 1 . . . . 11 ASN C . 10069 1 73 . 1 1 11 11 ASN CA C 13 52.875 0.300 . 1 . . . . 11 ASN CA . 10069 1 74 . 1 1 11 11 ASN CB C 13 39.116 0.300 . 1 . . . . 11 ASN CB . 10069 1 75 . 1 1 11 11 ASN N N 15 121.888 0.300 . 1 . . . . 11 ASN N . 10069 1 76 . 1 1 11 11 ASN ND2 N 15 112.674 0.300 . 1 . . . . 11 ASN ND2 . 10069 1 77 . 1 1 12 12 TRP H H 1 8.235 0.030 . 1 . . . . 12 TRP H . 10069 1 78 . 1 1 12 12 TRP HA H 1 4.641 0.030 . 1 . . . . 12 TRP HA . 10069 1 79 . 1 1 12 12 TRP HB2 H 1 3.339 0.030 . 2 . . . . 12 TRP HB2 . 10069 1 80 . 1 1 12 12 TRP HB3 H 1 3.233 0.030 . 2 . . . . 12 TRP HB3 . 10069 1 81 . 1 1 12 12 TRP HD1 H 1 7.179 0.030 . 1 . . . . 12 TRP HD1 . 10069 1 82 . 1 1 12 12 TRP HE1 H 1 10.115 0.030 . 1 . . . . 12 TRP HE1 . 10069 1 83 . 1 1 12 12 TRP HE3 H 1 7.589 0.030 . 1 . . . . 12 TRP HE3 . 10069 1 84 . 1 1 12 12 TRP HZ2 H 1 7.451 0.030 . 1 . . . . 12 TRP HZ2 . 10069 1 85 . 1 1 12 12 TRP HH2 H 1 7.197 0.030 . 1 . . . . 12 TRP HH2 . 10069 1 86 . 1 1 12 12 TRP C C 13 176.520 0.300 . 1 . . . . 12 TRP C . 10069 1 87 . 1 1 12 12 TRP CA C 13 57.593 0.300 . 1 . . . . 12 TRP CA . 10069 1 88 . 1 1 12 12 TRP CB C 13 29.711 0.300 . 1 . . . . 12 TRP CB . 10069 1 89 . 1 1 12 12 TRP CD1 C 13 127.045 0.300 . 1 . . . . 12 TRP CD1 . 10069 1 90 . 1 1 12 12 TRP CE3 C 13 120.800 0.300 . 1 . . . . 12 TRP CE3 . 10069 1 91 . 1 1 12 12 TRP CZ2 C 13 114.692 0.300 . 1 . . . . 12 TRP CZ2 . 10069 1 92 . 1 1 12 12 TRP CZ3 C 13 121.935 0.300 . 1 . . . . 12 TRP CZ3 . 10069 1 93 . 1 1 12 12 TRP CH2 C 13 124.547 0.300 . 1 . . . . 12 TRP CH2 . 10069 1 94 . 1 1 12 12 TRP N N 15 122.390 0.300 . 1 . . . . 12 TRP N . 10069 1 95 . 1 1 12 12 TRP NE1 N 15 129.414 0.300 . 1 . . . . 12 TRP NE1 . 10069 1 96 . 1 1 13 13 GLY H H 1 8.378 0.030 . 1 . . . . 13 GLY H . 10069 1 97 . 1 1 13 13 GLY HA2 H 1 3.887 0.030 . 1 . . . . 13 GLY HA2 . 10069 1 98 . 1 1 13 13 GLY HA3 H 1 3.887 0.030 . 1 . . . . 13 GLY HA3 . 10069 1 99 . 1 1 13 13 GLY C C 13 173.801 0.300 . 1 . . . . 13 GLY C . 10069 1 100 . 1 1 13 13 GLY CA C 13 45.786 0.300 . 1 . . . . 13 GLY CA . 10069 1 101 . 1 1 13 13 GLY N N 15 110.354 0.300 . 1 . . . . 13 GLY N . 10069 1 102 . 1 1 14 14 MET H H 1 8.102 0.030 . 1 . . . . 14 MET H . 10069 1 103 . 1 1 14 14 MET HA H 1 4.467 0.030 . 1 . . . . 14 MET HA . 10069 1 104 . 1 1 14 14 MET HB2 H 1 2.585 0.030 . 2 . . . . 14 MET HB2 . 10069 1 105 . 1 1 14 14 MET HB3 H 1 2.512 0.030 . 2 . . . . 14 MET HB3 . 10069 1 106 . 1 1 14 14 MET HG2 H 1 2.124 0.030 . 2 . . . . 14 MET HG2 . 10069 1 107 . 1 1 14 14 MET HG3 H 1 1.984 0.030 . 2 . . . . 14 MET HG3 . 10069 1 108 . 1 1 14 14 MET HE1 H 1 2.099 0.030 . 1 . . . . 14 MET HE . 10069 1 109 . 1 1 14 14 MET HE2 H 1 2.099 0.030 . 1 . . . . 14 MET HE . 10069 1 110 . 1 1 14 14 MET HE3 H 1 2.099 0.030 . 1 . . . . 14 MET HE . 10069 1 111 . 1 1 14 14 MET C C 13 175.331 0.300 . 1 . . . . 14 MET C . 10069 1 112 . 1 1 14 14 MET CA C 13 55.561 0.300 . 1 . . . . 14 MET CA . 10069 1 113 . 1 1 14 14 MET CB C 13 32.247 0.300 . 1 . . . . 14 MET CB . 10069 1 114 . 1 1 14 14 MET CG C 13 32.679 0.300 . 1 . . . . 14 MET CG . 10069 1 115 . 1 1 14 14 MET CE C 13 17.027 0.300 . 1 . . . . 14 MET CE . 10069 1 116 . 1 1 14 14 MET N N 15 119.942 0.300 . 1 . . . . 14 MET N . 10069 1 117 . 1 1 15 15 ARG H H 1 8.018 0.030 . 1 . . . . 15 ARG H . 10069 1 118 . 1 1 15 15 ARG HA H 1 4.351 0.030 . 1 . . . . 15 ARG HA . 10069 1 119 . 1 1 15 15 ARG HB2 H 1 1.767 0.030 . 2 . . . . 15 ARG HB2 . 10069 1 120 . 1 1 15 15 ARG HB3 H 1 1.715 0.030 . 2 . . . . 15 ARG HB3 . 10069 1 121 . 1 1 15 15 ARG HG2 H 1 1.493 0.030 . 2 . . . . 15 ARG HG2 . 10069 1 122 . 1 1 15 15 ARG HG3 H 1 1.340 0.030 . 2 . . . . 15 ARG HG3 . 10069 1 123 . 1 1 15 15 ARG HD2 H 1 3.010 0.030 . 2 . . . . 15 ARG HD2 . 10069 1 124 . 1 1 15 15 ARG HD3 H 1 2.983 0.030 . 2 . . . . 15 ARG HD3 . 10069 1 125 . 1 1 15 15 ARG HE H 1 6.790 0.030 . 1 . . . . 15 ARG HE . 10069 1 126 . 1 1 15 15 ARG C C 13 174.384 0.300 . 1 . . . . 15 ARG C . 10069 1 127 . 1 1 15 15 ARG CA C 13 55.862 0.300 . 1 . . . . 15 ARG CA . 10069 1 128 . 1 1 15 15 ARG CB C 13 31.398 0.300 . 1 . . . . 15 ARG CB . 10069 1 129 . 1 1 15 15 ARG CG C 13 26.517 0.300 . 1 . . . . 15 ARG CG . 10069 1 130 . 1 1 15 15 ARG CD C 13 43.223 0.300 . 1 . . . . 15 ARG CD . 10069 1 131 . 1 1 15 15 ARG N N 15 121.103 0.300 . 1 . . . . 15 ARG N . 10069 1 132 . 1 1 15 15 ARG NE N 15 84.993 0.300 . 1 . . . . 15 ARG NE . 10069 1 133 . 1 1 16 16 GLU H H 1 8.280 0.030 . 1 . . . . 16 GLU H . 10069 1 134 . 1 1 16 16 GLU HA H 1 4.353 0.030 . 1 . . . . 16 GLU HA . 10069 1 135 . 1 1 16 16 GLU HB2 H 1 1.897 0.030 . 2 . . . . 16 GLU HB2 . 10069 1 136 . 1 1 16 16 GLU HB3 H 1 1.855 0.030 . 2 . . . . 16 GLU HB3 . 10069 1 137 . 1 1 16 16 GLU HG2 H 1 2.168 0.030 . 2 . . . . 16 GLU HG2 . 10069 1 138 . 1 1 16 16 GLU HG3 H 1 2.053 0.030 . 2 . . . . 16 GLU HG3 . 10069 1 139 . 1 1 16 16 GLU C C 13 175.403 0.300 . 1 . . . . 16 GLU C . 10069 1 140 . 1 1 16 16 GLU CA C 13 55.854 0.300 . 1 . . . . 16 GLU CA . 10069 1 141 . 1 1 16 16 GLU CB C 13 31.096 0.300 . 1 . . . . 16 GLU CB . 10069 1 142 . 1 1 16 16 GLU CG C 13 36.403 0.300 . 1 . . . . 16 GLU CG . 10069 1 143 . 1 1 16 16 GLU N N 15 121.817 0.300 . 1 . . . . 16 GLU N . 10069 1 144 . 1 1 17 17 TYR H H 1 8.659 0.030 . 1 . . . . 17 TYR H . 10069 1 145 . 1 1 17 17 TYR HA H 1 4.468 0.030 . 1 . . . . 17 TYR HA . 10069 1 146 . 1 1 17 17 TYR HB2 H 1 2.687 0.030 . 2 . . . . 17 TYR HB2 . 10069 1 147 . 1 1 17 17 TYR HB3 H 1 2.026 0.030 . 2 . . . . 17 TYR HB3 . 10069 1 148 . 1 1 17 17 TYR HD1 H 1 6.656 0.030 . 1 . . . . 17 TYR HD1 . 10069 1 149 . 1 1 17 17 TYR HD2 H 1 6.656 0.030 . 1 . . . . 17 TYR HD2 . 10069 1 150 . 1 1 17 17 TYR HE1 H 1 6.751 0.030 . 1 . . . . 17 TYR HE1 . 10069 1 151 . 1 1 17 17 TYR HE2 H 1 6.751 0.030 . 1 . . . . 17 TYR HE2 . 10069 1 152 . 1 1 17 17 TYR C C 13 175.015 0.300 . 1 . . . . 17 TYR C . 10069 1 153 . 1 1 17 17 TYR CA C 13 57.432 0.300 . 1 . . . . 17 TYR CA . 10069 1 154 . 1 1 17 17 TYR CB C 13 38.973 0.300 . 1 . . . . 17 TYR CB . 10069 1 155 . 1 1 17 17 TYR CD1 C 13 133.645 0.300 . 1 . . . . 17 TYR CD1 . 10069 1 156 . 1 1 17 17 TYR CD2 C 13 133.645 0.300 . 1 . . . . 17 TYR CD2 . 10069 1 157 . 1 1 17 17 TYR CE1 C 13 118.134 0.300 . 1 . . . . 17 TYR CE1 . 10069 1 158 . 1 1 17 17 TYR CE2 C 13 118.134 0.300 . 1 . . . . 17 TYR CE2 . 10069 1 159 . 1 1 17 17 TYR N N 15 123.643 0.300 . 1 . . . . 17 TYR N . 10069 1 160 . 1 1 18 18 LYS H H 1 9.066 0.030 . 1 . . . . 18 LYS H . 10069 1 161 . 1 1 18 18 LYS HA H 1 4.133 0.030 . 1 . . . . 18 LYS HA . 10069 1 162 . 1 1 18 18 LYS HB2 H 1 1.789 0.030 . 2 . . . . 18 LYS HB2 . 10069 1 163 . 1 1 18 18 LYS HB3 H 1 1.666 0.030 . 2 . . . . 18 LYS HB3 . 10069 1 164 . 1 1 18 18 LYS HG2 H 1 1.384 0.030 . 2 . . . . 18 LYS HG2 . 10069 1 165 . 1 1 18 18 LYS HG3 H 1 1.136 0.030 . 2 . . . . 18 LYS HG3 . 10069 1 166 . 1 1 18 18 LYS HD2 H 1 1.688 0.030 . 1 . . . . 18 LYS HD2 . 10069 1 167 . 1 1 18 18 LYS HD3 H 1 1.688 0.030 . 1 . . . . 18 LYS HD3 . 10069 1 168 . 1 1 18 18 LYS HE2 H 1 2.883 0.030 . 1 . . . . 18 LYS HE2 . 10069 1 169 . 1 1 18 18 LYS HE3 H 1 2.883 0.030 . 1 . . . . 18 LYS HE3 . 10069 1 170 . 1 1 18 18 LYS C C 13 175.549 0.300 . 1 . . . . 18 LYS C . 10069 1 171 . 1 1 18 18 LYS CA C 13 57.005 0.300 . 1 . . . . 18 LYS CA . 10069 1 172 . 1 1 18 18 LYS CB C 13 33.068 0.300 . 1 . . . . 18 LYS CB . 10069 1 173 . 1 1 18 18 LYS CG C 13 25.351 0.300 . 1 . . . . 18 LYS CG . 10069 1 174 . 1 1 18 18 LYS CD C 13 29.177 0.300 . 1 . . . . 18 LYS CD . 10069 1 175 . 1 1 18 18 LYS CE C 13 42.355 0.300 . 1 . . . . 18 LYS CE . 10069 1 176 . 1 1 18 18 LYS N N 15 125.785 0.300 . 1 . . . . 18 LYS N . 10069 1 177 . 1 1 19 19 ILE H H 1 8.048 0.030 . 1 . . . . 19 ILE H . 10069 1 178 . 1 1 19 19 ILE HA H 1 4.801 0.030 . 1 . . . . 19 ILE HA . 10069 1 179 . 1 1 19 19 ILE HB H 1 1.674 0.030 . 1 . . . . 19 ILE HB . 10069 1 180 . 1 1 19 19 ILE HG12 H 1 1.540 0.030 . 2 . . . . 19 ILE HG12 . 10069 1 181 . 1 1 19 19 ILE HG13 H 1 1.198 0.030 . 2 . . . . 19 ILE HG13 . 10069 1 182 . 1 1 19 19 ILE HG21 H 1 0.886 0.030 . 1 . . . . 19 ILE HG2 . 10069 1 183 . 1 1 19 19 ILE HG22 H 1 0.886 0.030 . 1 . . . . 19 ILE HG2 . 10069 1 184 . 1 1 19 19 ILE HG23 H 1 0.886 0.030 . 1 . . . . 19 ILE HG2 . 10069 1 185 . 1 1 19 19 ILE HD11 H 1 0.768 0.030 . 1 . . . . 19 ILE HD1 . 10069 1 186 . 1 1 19 19 ILE HD12 H 1 0.768 0.030 . 1 . . . . 19 ILE HD1 . 10069 1 187 . 1 1 19 19 ILE HD13 H 1 0.768 0.030 . 1 . . . . 19 ILE HD1 . 10069 1 188 . 1 1 19 19 ILE C C 13 176.253 0.300 . 1 . . . . 19 ILE C . 10069 1 189 . 1 1 19 19 ILE CA C 13 59.904 0.300 . 1 . . . . 19 ILE CA . 10069 1 190 . 1 1 19 19 ILE CB C 13 37.552 0.300 . 1 . . . . 19 ILE CB . 10069 1 191 . 1 1 19 19 ILE CG1 C 13 28.208 0.300 . 1 . . . . 19 ILE CG1 . 10069 1 192 . 1 1 19 19 ILE CG2 C 13 17.843 0.300 . 1 . . . . 19 ILE CG2 . 10069 1 193 . 1 1 19 19 ILE CD1 C 13 11.978 0.300 . 1 . . . . 19 ILE CD1 . 10069 1 194 . 1 1 19 19 ILE N N 15 124.330 0.300 . 1 . . . . 19 ILE N . 10069 1 195 . 1 1 20 20 TYR H H 1 9.174 0.030 . 1 . . . . 20 TYR H . 10069 1 196 . 1 1 20 20 TYR HA H 1 5.083 0.030 . 1 . . . . 20 TYR HA . 10069 1 197 . 1 1 20 20 TYR HB2 H 1 2.948 0.030 . 2 . . . . 20 TYR HB2 . 10069 1 198 . 1 1 20 20 TYR HB3 H 1 2.387 0.030 . 2 . . . . 20 TYR HB3 . 10069 1 199 . 1 1 20 20 TYR HD1 H 1 6.980 0.030 . 1 . . . . 20 TYR HD1 . 10069 1 200 . 1 1 20 20 TYR HD2 H 1 6.980 0.030 . 1 . . . . 20 TYR HD2 . 10069 1 201 . 1 1 20 20 TYR HE1 H 1 6.640 0.030 . 1 . . . . 20 TYR HE1 . 10069 1 202 . 1 1 20 20 TYR HE2 H 1 6.640 0.030 . 1 . . . . 20 TYR HE2 . 10069 1 203 . 1 1 20 20 TYR C C 13 172.660 0.300 . 1 . . . . 20 TYR C . 10069 1 204 . 1 1 20 20 TYR CA C 13 55.878 0.300 . 1 . . . . 20 TYR CA . 10069 1 205 . 1 1 20 20 TYR CB C 13 42.328 0.300 . 1 . . . . 20 TYR CB . 10069 1 206 . 1 1 20 20 TYR CD1 C 13 133.149 0.300 . 1 . . . . 20 TYR CD1 . 10069 1 207 . 1 1 20 20 TYR CD2 C 13 133.149 0.300 . 1 . . . . 20 TYR CD2 . 10069 1 208 . 1 1 20 20 TYR CE1 C 13 118.405 0.300 . 1 . . . . 20 TYR CE1 . 10069 1 209 . 1 1 20 20 TYR CE2 C 13 118.405 0.300 . 1 . . . . 20 TYR CE2 . 10069 1 210 . 1 1 20 20 TYR N N 15 126.592 0.300 . 1 . . . . 20 TYR N . 10069 1 211 . 1 1 21 21 PRO HA H 1 4.745 0.030 . 1 . . . . 21 PRO HA . 10069 1 212 . 1 1 21 21 PRO HB2 H 1 2.717 0.030 . 2 . . . . 21 PRO HB2 . 10069 1 213 . 1 1 21 21 PRO HB3 H 1 2.004 0.030 . 2 . . . . 21 PRO HB3 . 10069 1 214 . 1 1 21 21 PRO HG2 H 1 2.277 0.030 . 2 . . . . 21 PRO HG2 . 10069 1 215 . 1 1 21 21 PRO HG3 H 1 2.180 0.030 . 2 . . . . 21 PRO HG3 . 10069 1 216 . 1 1 21 21 PRO HD2 H 1 4.163 0.030 . 2 . . . . 21 PRO HD2 . 10069 1 217 . 1 1 21 21 PRO HD3 H 1 3.793 0.030 . 2 . . . . 21 PRO HD3 . 10069 1 218 . 1 1 21 21 PRO C C 13 176.787 0.300 . 1 . . . . 21 PRO C . 10069 1 219 . 1 1 21 21 PRO CA C 13 62.483 0.300 . 1 . . . . 21 PRO CA . 10069 1 220 . 1 1 21 21 PRO CB C 13 32.930 0.300 . 1 . . . . 21 PRO CB . 10069 1 221 . 1 1 21 21 PRO CG C 13 27.952 0.300 . 1 . . . . 21 PRO CG . 10069 1 222 . 1 1 21 21 PRO CD C 13 51.208 0.300 . 1 . . . . 21 PRO CD . 10069 1 223 . 1 1 22 22 TYR H H 1 10.118 0.030 . 1 . . . . 22 TYR H . 10069 1 224 . 1 1 22 22 TYR HA H 1 4.166 0.030 . 1 . . . . 22 TYR HA . 10069 1 225 . 1 1 22 22 TYR HB2 H 1 3.154 0.030 . 2 . . . . 22 TYR HB2 . 10069 1 226 . 1 1 22 22 TYR HB3 H 1 2.862 0.030 . 2 . . . . 22 TYR HB3 . 10069 1 227 . 1 1 22 22 TYR HD1 H 1 7.002 0.030 . 1 . . . . 22 TYR HD1 . 10069 1 228 . 1 1 22 22 TYR HD2 H 1 7.002 0.030 . 1 . . . . 22 TYR HD2 . 10069 1 229 . 1 1 22 22 TYR HE1 H 1 6.630 0.030 . 1 . . . . 22 TYR HE1 . 10069 1 230 . 1 1 22 22 TYR HE2 H 1 6.630 0.030 . 1 . . . . 22 TYR HE2 . 10069 1 231 . 1 1 22 22 TYR C C 13 176.132 0.300 . 1 . . . . 22 TYR C . 10069 1 232 . 1 1 22 22 TYR CA C 13 60.338 0.300 . 1 . . . . 22 TYR CA . 10069 1 233 . 1 1 22 22 TYR CB C 13 38.250 0.300 . 1 . . . . 22 TYR CB . 10069 1 234 . 1 1 22 22 TYR CD1 C 13 132.348 0.300 . 1 . . . . 22 TYR CD1 . 10069 1 235 . 1 1 22 22 TYR CD2 C 13 132.348 0.300 . 1 . . . . 22 TYR CD2 . 10069 1 236 . 1 1 22 22 TYR CE1 C 13 117.842 0.300 . 1 . . . . 22 TYR CE1 . 10069 1 237 . 1 1 22 22 TYR CE2 C 13 117.842 0.300 . 1 . . . . 22 TYR CE2 . 10069 1 238 . 1 1 22 22 TYR N N 15 127.355 0.300 . 1 . . . . 22 TYR N . 10069 1 239 . 1 1 23 23 GLU H H 1 8.660 0.030 . 1 . . . . 23 GLU H . 10069 1 240 . 1 1 23 23 GLU HA H 1 3.633 0.030 . 1 . . . . 23 GLU HA . 10069 1 241 . 1 1 23 23 GLU HB2 H 1 2.007 0.030 . 2 . . . . 23 GLU HB2 . 10069 1 242 . 1 1 23 23 GLU HB3 H 1 1.950 0.030 . 2 . . . . 23 GLU HB3 . 10069 1 243 . 1 1 23 23 GLU HG2 H 1 2.259 0.030 . 1 . . . . 23 GLU HG2 . 10069 1 244 . 1 1 23 23 GLU HG3 H 1 2.259 0.030 . 1 . . . . 23 GLU HG3 . 10069 1 245 . 1 1 23 23 GLU C C 13 177.127 0.300 . 1 . . . . 23 GLU C . 10069 1 246 . 1 1 23 23 GLU CA C 13 58.979 0.300 . 1 . . . . 23 GLU CA . 10069 1 247 . 1 1 23 23 GLU CB C 13 29.402 0.300 . 1 . . . . 23 GLU CB . 10069 1 248 . 1 1 23 23 GLU CG C 13 36.191 0.300 . 1 . . . . 23 GLU CG . 10069 1 249 . 1 1 23 23 GLU N N 15 112.514 0.300 . 1 . . . . 23 GLU N . 10069 1 250 . 1 1 24 24 LEU H H 1 7.602 0.030 . 1 . . . . 24 LEU H . 10069 1 251 . 1 1 24 24 LEU HA H 1 4.242 0.030 . 1 . . . . 24 LEU HA . 10069 1 252 . 1 1 24 24 LEU HB2 H 1 1.693 0.030 . 1 . . . . 24 LEU HB2 . 10069 1 253 . 1 1 24 24 LEU HB3 H 1 1.693 0.030 . 1 . . . . 24 LEU HB3 . 10069 1 254 . 1 1 24 24 LEU HG H 1 1.690 0.030 . 1 . . . . 24 LEU HG . 10069 1 255 . 1 1 24 24 LEU HD11 H 1 1.015 0.030 . 1 . . . . 24 LEU HD1 . 10069 1 256 . 1 1 24 24 LEU HD12 H 1 1.015 0.030 . 1 . . . . 24 LEU HD1 . 10069 1 257 . 1 1 24 24 LEU HD13 H 1 1.015 0.030 . 1 . . . . 24 LEU HD1 . 10069 1 258 . 1 1 24 24 LEU HD21 H 1 0.866 0.030 . 1 . . . . 24 LEU HD2 . 10069 1 259 . 1 1 24 24 LEU HD22 H 1 0.866 0.030 . 1 . . . . 24 LEU HD2 . 10069 1 260 . 1 1 24 24 LEU HD23 H 1 0.866 0.030 . 1 . . . . 24 LEU HD2 . 10069 1 261 . 1 1 24 24 LEU C C 13 177.151 0.300 . 1 . . . . 24 LEU C . 10069 1 262 . 1 1 24 24 LEU CA C 13 55.998 0.300 . 1 . . . . 24 LEU CA . 10069 1 263 . 1 1 24 24 LEU CB C 13 42.680 0.300 . 1 . . . . 24 LEU CB . 10069 1 264 . 1 1 24 24 LEU CG C 13 27.747 0.300 . 1 . . . . 24 LEU CG . 10069 1 265 . 1 1 24 24 LEU CD1 C 13 24.900 0.300 . 2 . . . . 24 LEU CD1 . 10069 1 266 . 1 1 24 24 LEU CD2 C 13 24.061 0.300 . 2 . . . . 24 LEU CD2 . 10069 1 267 . 1 1 24 24 LEU N N 15 117.124 0.300 . 1 . . . . 24 LEU N . 10069 1 268 . 1 1 25 25 LEU H H 1 7.497 0.030 . 1 . . . . 25 LEU H . 10069 1 269 . 1 1 25 25 LEU HA H 1 4.053 0.030 . 1 . . . . 25 LEU HA . 10069 1 270 . 1 1 25 25 LEU HB2 H 1 1.768 0.030 . 2 . . . . 25 LEU HB2 . 10069 1 271 . 1 1 25 25 LEU HB3 H 1 1.545 0.030 . 2 . . . . 25 LEU HB3 . 10069 1 272 . 1 1 25 25 LEU HG H 1 1.725 0.030 . 1 . . . . 25 LEU HG . 10069 1 273 . 1 1 25 25 LEU HD11 H 1 1.023 0.030 . 1 . . . . 25 LEU HD1 . 10069 1 274 . 1 1 25 25 LEU HD12 H 1 1.023 0.030 . 1 . . . . 25 LEU HD1 . 10069 1 275 . 1 1 25 25 LEU HD13 H 1 1.023 0.030 . 1 . . . . 25 LEU HD1 . 10069 1 276 . 1 1 25 25 LEU HD21 H 1 0.579 0.030 . 1 . . . . 25 LEU HD2 . 10069 1 277 . 1 1 25 25 LEU HD22 H 1 0.579 0.030 . 1 . . . . 25 LEU HD2 . 10069 1 278 . 1 1 25 25 LEU HD23 H 1 0.579 0.030 . 1 . . . . 25 LEU HD2 . 10069 1 279 . 1 1 25 25 LEU C C 13 174.141 0.300 . 1 . . . . 25 LEU C . 10069 1 280 . 1 1 25 25 LEU CA C 13 54.729 0.300 . 1 . . . . 25 LEU CA . 10069 1 281 . 1 1 25 25 LEU CB C 13 43.292 0.300 . 1 . . . . 25 LEU CB . 10069 1 282 . 1 1 25 25 LEU CG C 13 25.815 0.300 . 1 . . . . 25 LEU CG . 10069 1 283 . 1 1 25 25 LEU CD1 C 13 26.793 0.300 . 2 . . . . 25 LEU CD1 . 10069 1 284 . 1 1 25 25 LEU CD2 C 13 22.302 0.300 . 2 . . . . 25 LEU CD2 . 10069 1 285 . 1 1 25 25 LEU N N 15 118.651 0.300 . 1 . . . . 25 LEU N . 10069 1 286 . 1 1 26 26 LEU H H 1 6.594 0.030 . 1 . . . . 26 LEU H . 10069 1 287 . 1 1 26 26 LEU HA H 1 4.028 0.030 . 1 . . . . 26 LEU HA . 10069 1 288 . 1 1 26 26 LEU HB2 H 1 1.478 0.030 . 2 . . . . 26 LEU HB2 . 10069 1 289 . 1 1 26 26 LEU HB3 H 1 1.107 0.030 . 2 . . . . 26 LEU HB3 . 10069 1 290 . 1 1 26 26 LEU HG H 1 1.357 0.030 . 1 . . . . 26 LEU HG . 10069 1 291 . 1 1 26 26 LEU HD11 H 1 0.346 0.030 . 1 . . . . 26 LEU HD1 . 10069 1 292 . 1 1 26 26 LEU HD12 H 1 0.346 0.030 . 1 . . . . 26 LEU HD1 . 10069 1 293 . 1 1 26 26 LEU HD13 H 1 0.346 0.030 . 1 . . . . 26 LEU HD1 . 10069 1 294 . 1 1 26 26 LEU HD21 H 1 0.591 0.030 . 1 . . . . 26 LEU HD2 . 10069 1 295 . 1 1 26 26 LEU HD22 H 1 0.591 0.030 . 1 . . . . 26 LEU HD2 . 10069 1 296 . 1 1 26 26 LEU HD23 H 1 0.591 0.030 . 1 . . . . 26 LEU HD2 . 10069 1 297 . 1 1 26 26 LEU C C 13 177.831 0.300 . 1 . . . . 26 LEU C . 10069 1 298 . 1 1 26 26 LEU CA C 13 55.689 0.300 . 1 . . . . 26 LEU CA . 10069 1 299 . 1 1 26 26 LEU CB C 13 42.934 0.300 . 1 . . . . 26 LEU CB . 10069 1 300 . 1 1 26 26 LEU CG C 13 25.940 0.300 . 1 . . . . 26 LEU CG . 10069 1 301 . 1 1 26 26 LEU CD1 C 13 24.099 0.300 . 2 . . . . 26 LEU CD1 . 10069 1 302 . 1 1 26 26 LEU CD2 C 13 25.673 0.300 . 2 . . . . 26 LEU CD2 . 10069 1 303 . 1 1 26 26 LEU N N 15 113.849 0.300 . 1 . . . . 26 LEU N . 10069 1 304 . 1 1 27 27 VAL H H 1 8.663 0.030 . 1 . . . . 27 VAL H . 10069 1 305 . 1 1 27 27 VAL HA H 1 4.072 0.030 . 1 . . . . 27 VAL HA . 10069 1 306 . 1 1 27 27 VAL HB H 1 1.959 0.030 . 1 . . . . 27 VAL HB . 10069 1 307 . 1 1 27 27 VAL HG11 H 1 0.928 0.030 . 1 . . . . 27 VAL HG1 . 10069 1 308 . 1 1 27 27 VAL HG12 H 1 0.928 0.030 . 1 . . . . 27 VAL HG1 . 10069 1 309 . 1 1 27 27 VAL HG13 H 1 0.928 0.030 . 1 . . . . 27 VAL HG1 . 10069 1 310 . 1 1 27 27 VAL HG21 H 1 0.902 0.030 . 1 . . . . 27 VAL HG2 . 10069 1 311 . 1 1 27 27 VAL HG22 H 1 0.902 0.030 . 1 . . . . 27 VAL HG2 . 10069 1 312 . 1 1 27 27 VAL HG23 H 1 0.902 0.030 . 1 . . . . 27 VAL HG2 . 10069 1 313 . 1 1 27 27 VAL C C 13 176.229 0.300 . 1 . . . . 27 VAL C . 10069 1 314 . 1 1 27 27 VAL CA C 13 62.918 0.300 . 1 . . . . 27 VAL CA . 10069 1 315 . 1 1 27 27 VAL CB C 13 32.313 0.300 . 1 . . . . 27 VAL CB . 10069 1 316 . 1 1 27 27 VAL CG1 C 13 21.457 0.300 . 2 . . . . 27 VAL CG1 . 10069 1 317 . 1 1 27 27 VAL CG2 C 13 21.074 0.300 . 2 . . . . 27 VAL CG2 . 10069 1 318 . 1 1 27 27 VAL N N 15 122.559 0.300 . 1 . . . . 27 VAL N . 10069 1 319 . 1 1 28 28 THR H H 1 8.095 0.030 . 1 . . . . 28 THR H . 10069 1 320 . 1 1 28 28 THR HA H 1 4.621 0.030 . 1 . . . . 28 THR HA . 10069 1 321 . 1 1 28 28 THR HB H 1 4.367 0.030 . 1 . . . . 28 THR HB . 10069 1 322 . 1 1 28 28 THR HG21 H 1 1.182 0.030 . 1 . . . . 28 THR HG2 . 10069 1 323 . 1 1 28 28 THR HG22 H 1 1.182 0.030 . 1 . . . . 28 THR HG2 . 10069 1 324 . 1 1 28 28 THR HG23 H 1 1.182 0.030 . 1 . . . . 28 THR HG2 . 10069 1 325 . 1 1 28 28 THR C C 13 174.699 0.300 . 1 . . . . 28 THR C . 10069 1 326 . 1 1 28 28 THR CA C 13 60.722 0.300 . 1 . . . . 28 THR CA . 10069 1 327 . 1 1 28 28 THR CB C 13 70.439 0.300 . 1 . . . . 28 THR CB . 10069 1 328 . 1 1 28 28 THR CG2 C 13 21.557 0.300 . 1 . . . . 28 THR CG2 . 10069 1 329 . 1 1 28 28 THR N N 15 116.754 0.300 . 1 . . . . 28 THR N . 10069 1 330 . 1 1 29 29 THR H H 1 8.303 0.030 . 1 . . . . 29 THR H . 10069 1 331 . 1 1 29 29 THR HA H 1 4.304 0.030 . 1 . . . . 29 THR HA . 10069 1 332 . 1 1 29 29 THR HB H 1 4.325 0.030 . 1 . . . . 29 THR HB . 10069 1 333 . 1 1 29 29 THR HG21 H 1 1.273 0.030 . 1 . . . . 29 THR HG2 . 10069 1 334 . 1 1 29 29 THR HG22 H 1 1.273 0.030 . 1 . . . . 29 THR HG2 . 10069 1 335 . 1 1 29 29 THR HG23 H 1 1.273 0.030 . 1 . . . . 29 THR HG2 . 10069 1 336 . 1 1 29 29 THR C C 13 174.821 0.300 . 1 . . . . 29 THR C . 10069 1 337 . 1 1 29 29 THR CA C 13 63.218 0.300 . 1 . . . . 29 THR CA . 10069 1 338 . 1 1 29 29 THR CB C 13 69.339 0.300 . 1 . . . . 29 THR CB . 10069 1 339 . 1 1 29 29 THR CG2 C 13 22.072 0.300 . 1 . . . . 29 THR CG2 . 10069 1 340 . 1 1 29 29 THR N N 15 114.988 0.300 . 1 . . . . 29 THR N . 10069 1 341 . 1 1 30 30 ARG H H 1 8.220 0.030 . 1 . . . . 30 ARG H . 10069 1 342 . 1 1 30 30 ARG HA H 1 4.402 0.030 . 1 . . . . 30 ARG HA . 10069 1 343 . 1 1 30 30 ARG HB2 H 1 1.931 0.030 . 2 . . . . 30 ARG HB2 . 10069 1 344 . 1 1 30 30 ARG HB3 H 1 1.796 0.030 . 2 . . . . 30 ARG HB3 . 10069 1 345 . 1 1 30 30 ARG HG2 H 1 1.662 0.030 . 1 . . . . 30 ARG HG2 . 10069 1 346 . 1 1 30 30 ARG HG3 H 1 1.662 0.030 . 1 . . . . 30 ARG HG3 . 10069 1 347 . 1 1 30 30 ARG HD2 H 1 3.217 0.030 . 1 . . . . 30 ARG HD2 . 10069 1 348 . 1 1 30 30 ARG HD3 H 1 3.217 0.030 . 1 . . . . 30 ARG HD3 . 10069 1 349 . 1 1 30 30 ARG C C 13 176.253 0.300 . 1 . . . . 30 ARG C . 10069 1 350 . 1 1 30 30 ARG CA C 13 56.429 0.300 . 1 . . . . 30 ARG CA . 10069 1 351 . 1 1 30 30 ARG CB C 13 30.575 0.300 . 1 . . . . 30 ARG CB . 10069 1 352 . 1 1 30 30 ARG CD C 13 43.568 0.300 . 1 . . . . 30 ARG CD . 10069 1 353 . 1 1 30 30 ARG N N 15 121.109 0.300 . 1 . . . . 30 ARG N . 10069 1 354 . 1 1 31 31 GLY H H 1 8.160 0.030 . 1 . . . . 31 GLY H . 10069 1 355 . 1 1 31 31 GLY HA2 H 1 3.978 0.030 . 1 . . . . 31 GLY HA2 . 10069 1 356 . 1 1 31 31 GLY HA3 H 1 3.978 0.030 . 1 . . . . 31 GLY HA3 . 10069 1 357 . 1 1 31 31 GLY C C 13 173.777 0.300 . 1 . . . . 31 GLY C . 10069 1 358 . 1 1 31 31 GLY CA C 13 45.313 0.300 . 1 . . . . 31 GLY CA . 10069 1 359 . 1 1 31 31 GLY N N 15 109.037 0.300 . 1 . . . . 31 GLY N . 10069 1 360 . 1 1 32 32 ARG H H 1 8.240 0.030 . 1 . . . . 32 ARG H . 10069 1 361 . 1 1 32 32 ARG HA H 1 4.301 0.030 . 1 . . . . 32 ARG HA . 10069 1 362 . 1 1 32 32 ARG HB2 H 1 1.859 0.030 . 2 . . . . 32 ARG HB2 . 10069 1 363 . 1 1 32 32 ARG HB3 H 1 1.784 0.030 . 2 . . . . 32 ARG HB3 . 10069 1 364 . 1 1 32 32 ARG HG2 H 1 1.620 0.030 . 1 . . . . 32 ARG HG2 . 10069 1 365 . 1 1 32 32 ARG HG3 H 1 1.620 0.030 . 1 . . . . 32 ARG HG3 . 10069 1 366 . 1 1 32 32 ARG HD2 H 1 3.201 0.030 . 1 . . . . 32 ARG HD2 . 10069 1 367 . 1 1 32 32 ARG HD3 H 1 3.201 0.030 . 1 . . . . 32 ARG HD3 . 10069 1 368 . 1 1 32 32 ARG C C 13 175.792 0.300 . 1 . . . . 32 ARG C . 10069 1 369 . 1 1 32 32 ARG CA C 13 56.546 0.300 . 1 . . . . 32 ARG CA . 10069 1 370 . 1 1 32 32 ARG CB C 13 30.596 0.300 . 1 . . . . 32 ARG CB . 10069 1 371 . 1 1 32 32 ARG CD C 13 43.568 0.300 . 1 . . . . 32 ARG CD . 10069 1 372 . 1 1 32 32 ARG N N 15 120.460 0.300 . 1 . . . . 32 ARG N . 10069 1 373 . 1 1 33 33 ASN H H 1 8.471 0.030 . 1 . . . . 33 ASN H . 10069 1 374 . 1 1 33 33 ASN HA H 1 4.681 0.030 . 1 . . . . 33 ASN HA . 10069 1 375 . 1 1 33 33 ASN HB2 H 1 2.808 0.030 . 1 . . . . 33 ASN HB2 . 10069 1 376 . 1 1 33 33 ASN HB3 H 1 2.808 0.030 . 1 . . . . 33 ASN HB3 . 10069 1 377 . 1 1 33 33 ASN HD21 H 1 7.617 0.030 . 2 . . . . 33 ASN HD21 . 10069 1 378 . 1 1 33 33 ASN HD22 H 1 6.946 0.030 . 2 . . . . 33 ASN HD22 . 10069 1 379 . 1 1 33 33 ASN C C 13 174.505 0.300 . 1 . . . . 33 ASN C . 10069 1 380 . 1 1 33 33 ASN CA C 13 53.636 0.300 . 1 . . . . 33 ASN CA . 10069 1 381 . 1 1 33 33 ASN CB C 13 39.130 0.300 . 1 . . . . 33 ASN CB . 10069 1 382 . 1 1 33 33 ASN N N 15 119.316 0.300 . 1 . . . . 33 ASN N . 10069 1 383 . 1 1 33 33 ASN ND2 N 15 113.761 0.300 . 1 . . . . 33 ASN ND2 . 10069 1 384 . 1 1 34 34 ARG H H 1 8.498 0.030 . 1 . . . . 34 ARG H . 10069 1 385 . 1 1 34 34 ARG HA H 1 4.441 0.030 . 1 . . . . 34 ARG HA . 10069 1 386 . 1 1 34 34 ARG HB2 H 1 1.908 0.030 . 2 . . . . 34 ARG HB2 . 10069 1 387 . 1 1 34 34 ARG HB3 H 1 1.693 0.030 . 2 . . . . 34 ARG HB3 . 10069 1 388 . 1 1 34 34 ARG HG2 H 1 1.581 0.030 . 1 . . . . 34 ARG HG2 . 10069 1 389 . 1 1 34 34 ARG HG3 H 1 1.581 0.030 . 1 . . . . 34 ARG HG3 . 10069 1 390 . 1 1 34 34 ARG HD2 H 1 3.201 0.030 . 1 . . . . 34 ARG HD2 . 10069 1 391 . 1 1 34 34 ARG HD3 H 1 3.201 0.030 . 1 . . . . 34 ARG HD3 . 10069 1 392 . 1 1 34 34 ARG C C 13 175.282 0.300 . 1 . . . . 34 ARG C . 10069 1 393 . 1 1 34 34 ARG CA C 13 55.284 0.300 . 1 . . . . 34 ARG CA . 10069 1 394 . 1 1 34 34 ARG CB C 13 30.849 0.300 . 1 . . . . 34 ARG CB . 10069 1 395 . 1 1 34 34 ARG CD C 13 43.568 0.300 . 1 . . . . 34 ARG CD . 10069 1 396 . 1 1 34 34 ARG N N 15 122.292 0.300 . 1 . . . . 34 ARG N . 10069 1 397 . 1 1 35 35 LEU H H 1 7.925 0.030 . 1 . . . . 35 LEU H . 10069 1 398 . 1 1 35 35 LEU HA H 1 4.384 0.030 . 1 . . . . 35 LEU HA . 10069 1 399 . 1 1 35 35 LEU HB2 H 1 1.554 0.030 . 2 . . . . 35 LEU HB2 . 10069 1 400 . 1 1 35 35 LEU HB3 H 1 1.207 0.030 . 2 . . . . 35 LEU HB3 . 10069 1 401 . 1 1 35 35 LEU HG H 1 1.619 0.030 . 1 . . . . 35 LEU HG . 10069 1 402 . 1 1 35 35 LEU HD11 H 1 0.824 0.030 . 1 . . . . 35 LEU HD1 . 10069 1 403 . 1 1 35 35 LEU HD12 H 1 0.824 0.030 . 1 . . . . 35 LEU HD1 . 10069 1 404 . 1 1 35 35 LEU HD13 H 1 0.824 0.030 . 1 . . . . 35 LEU HD1 . 10069 1 405 . 1 1 35 35 LEU HD21 H 1 0.804 0.030 . 1 . . . . 35 LEU HD2 . 10069 1 406 . 1 1 35 35 LEU HD22 H 1 0.804 0.030 . 1 . . . . 35 LEU HD2 . 10069 1 407 . 1 1 35 35 LEU HD23 H 1 0.804 0.030 . 1 . . . . 35 LEU HD2 . 10069 1 408 . 1 1 35 35 LEU C C 13 174.869 0.300 . 1 . . . . 35 LEU C . 10069 1 409 . 1 1 35 35 LEU CA C 13 53.359 0.300 . 1 . . . . 35 LEU CA . 10069 1 410 . 1 1 35 35 LEU CB C 13 42.115 0.300 . 1 . . . . 35 LEU CB . 10069 1 411 . 1 1 35 35 LEU CG C 13 27.038 0.300 . 1 . . . . 35 LEU CG . 10069 1 412 . 1 1 35 35 LEU CD1 C 13 25.720 0.300 . 2 . . . . 35 LEU CD1 . 10069 1 413 . 1 1 35 35 LEU CD2 C 13 24.185 0.300 . 2 . . . . 35 LEU CD2 . 10069 1 414 . 1 1 35 35 LEU N N 15 123.404 0.300 . 1 . . . . 35 LEU N . 10069 1 415 . 1 1 36 36 PRO HA H 1 4.341 0.030 . 1 . . . . 36 PRO HA . 10069 1 416 . 1 1 36 36 PRO HB2 H 1 2.240 0.030 . 2 . . . . 36 PRO HB2 . 10069 1 417 . 1 1 36 36 PRO HB3 H 1 1.524 0.030 . 2 . . . . 36 PRO HB3 . 10069 1 418 . 1 1 36 36 PRO HG2 H 1 1.515 0.030 . 2 . . . . 36 PRO HG2 . 10069 1 419 . 1 1 36 36 PRO HG3 H 1 0.820 0.030 . 2 . . . . 36 PRO HG3 . 10069 1 420 . 1 1 36 36 PRO HD2 H 1 3.781 0.030 . 2 . . . . 36 PRO HD2 . 10069 1 421 . 1 1 36 36 PRO HD3 H 1 2.823 0.030 . 2 . . . . 36 PRO HD3 . 10069 1 422 . 1 1 36 36 PRO C C 13 176.812 0.300 . 1 . . . . 36 PRO C . 10069 1 423 . 1 1 36 36 PRO CA C 13 62.520 0.300 . 1 . . . . 36 PRO CA . 10069 1 424 . 1 1 36 36 PRO CB C 13 32.663 0.300 . 1 . . . . 36 PRO CB . 10069 1 425 . 1 1 36 36 PRO CG C 13 27.240 0.300 . 1 . . . . 36 PRO CG . 10069 1 426 . 1 1 36 36 PRO CD C 13 50.433 0.300 . 1 . . . . 36 PRO CD . 10069 1 427 . 1 1 37 37 LYS H H 1 8.571 0.030 . 1 . . . . 37 LYS H . 10069 1 428 . 1 1 37 37 LYS HA H 1 4.075 0.030 . 1 . . . . 37 LYS HA . 10069 1 429 . 1 1 37 37 LYS HB2 H 1 1.871 0.030 . 1 . . . . 37 LYS HB2 . 10069 1 430 . 1 1 37 37 LYS HB3 H 1 1.871 0.030 . 1 . . . . 37 LYS HB3 . 10069 1 431 . 1 1 37 37 LYS HG2 H 1 1.518 0.030 . 1 . . . . 37 LYS HG2 . 10069 1 432 . 1 1 37 37 LYS HG3 H 1 1.518 0.030 . 1 . . . . 37 LYS HG3 . 10069 1 433 . 1 1 37 37 LYS HD2 H 1 1.720 0.030 . 1 . . . . 37 LYS HD2 . 10069 1 434 . 1 1 37 37 LYS HD3 H 1 1.720 0.030 . 1 . . . . 37 LYS HD3 . 10069 1 435 . 1 1 37 37 LYS HE2 H 1 3.040 0.030 . 1 . . . . 37 LYS HE2 . 10069 1 436 . 1 1 37 37 LYS HE3 H 1 3.040 0.030 . 1 . . . . 37 LYS HE3 . 10069 1 437 . 1 1 37 37 LYS C C 13 176.447 0.300 . 1 . . . . 37 LYS C . 10069 1 438 . 1 1 37 37 LYS CA C 13 58.256 0.300 . 1 . . . . 37 LYS CA . 10069 1 439 . 1 1 37 37 LYS CB C 13 32.546 0.300 . 1 . . . . 37 LYS CB . 10069 1 440 . 1 1 37 37 LYS CG C 13 24.779 0.300 . 1 . . . . 37 LYS CG . 10069 1 441 . 1 1 37 37 LYS CD C 13 29.155 0.300 . 1 . . . . 37 LYS CD . 10069 1 442 . 1 1 37 37 LYS CE C 13 42.147 0.300 . 1 . . . . 37 LYS CE . 10069 1 443 . 1 1 37 37 LYS N N 15 120.073 0.300 . 1 . . . . 37 LYS N . 10069 1 444 . 1 1 38 38 ASP H H 1 8.241 0.030 . 1 . . . . 38 ASP H . 10069 1 445 . 1 1 38 38 ASP HA H 1 4.630 0.030 . 1 . . . . 38 ASP HA . 10069 1 446 . 1 1 38 38 ASP HB2 H 1 3.031 0.030 . 2 . . . . 38 ASP HB2 . 10069 1 447 . 1 1 38 38 ASP HB3 H 1 2.600 0.030 . 2 . . . . 38 ASP HB3 . 10069 1 448 . 1 1 38 38 ASP C C 13 175.452 0.300 . 1 . . . . 38 ASP C . 10069 1 449 . 1 1 38 38 ASP CA C 13 53.366 0.300 . 1 . . . . 38 ASP CA . 10069 1 450 . 1 1 38 38 ASP CB C 13 39.921 0.300 . 1 . . . . 38 ASP CB . 10069 1 451 . 1 1 38 38 ASP N N 15 114.846 0.300 . 1 . . . . 38 ASP N . 10069 1 452 . 1 1 39 39 VAL H H 1 6.866 0.030 . 1 . . . . 39 VAL H . 10069 1 453 . 1 1 39 39 VAL HA H 1 4.274 0.030 . 1 . . . . 39 VAL HA . 10069 1 454 . 1 1 39 39 VAL HB H 1 1.563 0.030 . 1 . . . . 39 VAL HB . 10069 1 455 . 1 1 39 39 VAL HG11 H 1 0.453 0.030 . 1 . . . . 39 VAL HG1 . 10069 1 456 . 1 1 39 39 VAL HG12 H 1 0.453 0.030 . 1 . . . . 39 VAL HG1 . 10069 1 457 . 1 1 39 39 VAL HG13 H 1 0.453 0.030 . 1 . . . . 39 VAL HG1 . 10069 1 458 . 1 1 39 39 VAL HG21 H 1 0.278 0.030 . 1 . . . . 39 VAL HG2 . 10069 1 459 . 1 1 39 39 VAL HG22 H 1 0.278 0.030 . 1 . . . . 39 VAL HG2 . 10069 1 460 . 1 1 39 39 VAL HG23 H 1 0.278 0.030 . 1 . . . . 39 VAL HG2 . 10069 1 461 . 1 1 39 39 VAL C C 13 175.452 0.300 . 1 . . . . 39 VAL C . 10069 1 462 . 1 1 39 39 VAL CA C 13 60.659 0.300 . 1 . . . . 39 VAL CA . 10069 1 463 . 1 1 39 39 VAL CB C 13 32.853 0.300 . 1 . . . . 39 VAL CB . 10069 1 464 . 1 1 39 39 VAL CG1 C 13 20.856 0.300 . 2 . . . . 39 VAL CG1 . 10069 1 465 . 1 1 39 39 VAL CG2 C 13 22.365 0.300 . 2 . . . . 39 VAL CG2 . 10069 1 466 . 1 1 39 39 VAL N N 15 114.035 0.300 . 1 . . . . 39 VAL N . 10069 1 467 . 1 1 40 40 ASP H H 1 10.517 0.030 . 1 . . . . 40 ASP H . 10069 1 468 . 1 1 40 40 ASP HA H 1 4.738 0.030 . 1 . . . . 40 ASP HA . 10069 1 469 . 1 1 40 40 ASP HB2 H 1 3.335 0.030 . 2 . . . . 40 ASP HB2 . 10069 1 470 . 1 1 40 40 ASP HB3 H 1 2.565 0.030 . 2 . . . . 40 ASP HB3 . 10069 1 471 . 1 1 40 40 ASP C C 13 176.739 0.300 . 1 . . . . 40 ASP C . 10069 1 472 . 1 1 40 40 ASP CA C 13 52.565 0.300 . 1 . . . . 40 ASP CA . 10069 1 473 . 1 1 40 40 ASP CB C 13 40.812 0.300 . 1 . . . . 40 ASP CB . 10069 1 474 . 1 1 40 40 ASP N N 15 127.851 0.300 . 1 . . . . 40 ASP N . 10069 1 475 . 1 1 41 41 ARG H H 1 8.652 0.030 . 1 . . . . 41 ARG H . 10069 1 476 . 1 1 41 41 ARG HA H 1 3.873 0.030 . 1 . . . . 41 ARG HA . 10069 1 477 . 1 1 41 41 ARG HB2 H 1 1.883 0.030 . 2 . . . . 41 ARG HB2 . 10069 1 478 . 1 1 41 41 ARG HB3 H 1 1.844 0.030 . 2 . . . . 41 ARG HB3 . 10069 1 479 . 1 1 41 41 ARG HG2 H 1 1.653 0.030 . 1 . . . . 41 ARG HG2 . 10069 1 480 . 1 1 41 41 ARG HG3 H 1 1.653 0.030 . 1 . . . . 41 ARG HG3 . 10069 1 481 . 1 1 41 41 ARG HD2 H 1 3.203 0.030 . 1 . . . . 41 ARG HD2 . 10069 1 482 . 1 1 41 41 ARG HD3 H 1 3.203 0.030 . 1 . . . . 41 ARG HD3 . 10069 1 483 . 1 1 41 41 ARG HE H 1 7.247 0.030 . 1 . . . . 41 ARG HE . 10069 1 484 . 1 1 41 41 ARG C C 13 177.030 0.300 . 1 . . . . 41 ARG C . 10069 1 485 . 1 1 41 41 ARG CA C 13 58.967 0.300 . 1 . . . . 41 ARG CA . 10069 1 486 . 1 1 41 41 ARG CB C 13 30.005 0.300 . 1 . . . . 41 ARG CB . 10069 1 487 . 1 1 41 41 ARG CG C 13 28.522 0.300 . 1 . . . . 41 ARG CG . 10069 1 488 . 1 1 41 41 ARG CD C 13 43.564 0.300 . 1 . . . . 41 ARG CD . 10069 1 489 . 1 1 41 41 ARG N N 15 123.765 0.300 . 1 . . . . 41 ARG N . 10069 1 490 . 1 1 41 41 ARG NE N 15 84.463 0.300 . 1 . . . . 41 ARG NE . 10069 1 491 . 1 1 42 42 THR H H 1 8.553 0.030 . 1 . . . . 42 THR H . 10069 1 492 . 1 1 42 42 THR HA H 1 4.466 0.030 . 1 . . . . 42 THR HA . 10069 1 493 . 1 1 42 42 THR HB H 1 4.395 0.030 . 1 . . . . 42 THR HB . 10069 1 494 . 1 1 42 42 THR HG21 H 1 1.257 0.030 . 1 . . . . 42 THR HG2 . 10069 1 495 . 1 1 42 42 THR HG22 H 1 1.257 0.030 . 1 . . . . 42 THR HG2 . 10069 1 496 . 1 1 42 42 THR HG23 H 1 1.257 0.030 . 1 . . . . 42 THR HG2 . 10069 1 497 . 1 1 42 42 THR C C 13 175.088 0.300 . 1 . . . . 42 THR C . 10069 1 498 . 1 1 42 42 THR CA C 13 63.035 0.300 . 1 . . . . 42 THR CA . 10069 1 499 . 1 1 42 42 THR CB C 13 69.536 0.300 . 1 . . . . 42 THR CB . 10069 1 500 . 1 1 42 42 THR CG2 C 13 22.283 0.300 . 1 . . . . 42 THR CG2 . 10069 1 501 . 1 1 42 42 THR N N 15 110.165 0.300 . 1 . . . . 42 THR N . 10069 1 502 . 1 1 43 43 ARG H H 1 7.629 0.030 . 1 . . . . 43 ARG H . 10069 1 503 . 1 1 43 43 ARG HA H 1 4.952 0.030 . 1 . . . . 43 ARG HA . 10069 1 504 . 1 1 43 43 ARG HB2 H 1 1.759 0.030 . 2 . . . . 43 ARG HB2 . 10069 1 505 . 1 1 43 43 ARG HB3 H 1 1.502 0.030 . 2 . . . . 43 ARG HB3 . 10069 1 506 . 1 1 43 43 ARG HG2 H 1 1.704 0.030 . 2 . . . . 43 ARG HG2 . 10069 1 507 . 1 1 43 43 ARG HG3 H 1 1.573 0.030 . 2 . . . . 43 ARG HG3 . 10069 1 508 . 1 1 43 43 ARG HD2 H 1 3.180 0.030 . 2 . . . . 43 ARG HD2 . 10069 1 509 . 1 1 43 43 ARG HD3 H 1 3.068 0.030 . 2 . . . . 43 ARG HD3 . 10069 1 510 . 1 1 43 43 ARG HE H 1 7.223 0.030 . 1 . . . . 43 ARG HE . 10069 1 511 . 1 1 43 43 ARG C C 13 175.986 0.300 . 1 . . . . 43 ARG C . 10069 1 512 . 1 1 43 43 ARG CA C 13 53.853 0.300 . 1 . . . . 43 ARG CA . 10069 1 513 . 1 1 43 43 ARG CB C 13 31.123 0.300 . 1 . . . . 43 ARG CB . 10069 1 514 . 1 1 43 43 ARG CG C 13 27.038 0.300 . 1 . . . . 43 ARG CG . 10069 1 515 . 1 1 43 43 ARG CD C 13 43.644 0.300 . 1 . . . . 43 ARG CD . 10069 1 516 . 1 1 43 43 ARG N N 15 124.755 0.300 . 1 . . . . 43 ARG N . 10069 1 517 . 1 1 43 43 ARG NE N 15 85.030 0.300 . 1 . . . . 43 ARG NE . 10069 1 518 . 1 1 44 44 LEU H H 1 8.420 0.030 . 1 . . . . 44 LEU H . 10069 1 519 . 1 1 44 44 LEU HA H 1 4.245 0.030 . 1 . . . . 44 LEU HA . 10069 1 520 . 1 1 44 44 LEU HB2 H 1 2.007 0.030 . 2 . . . . 44 LEU HB2 . 10069 1 521 . 1 1 44 44 LEU HB3 H 1 1.600 0.030 . 2 . . . . 44 LEU HB3 . 10069 1 522 . 1 1 44 44 LEU HG H 1 2.001 0.030 . 1 . . . . 44 LEU HG . 10069 1 523 . 1 1 44 44 LEU HD11 H 1 0.914 0.030 . 1 . . . . 44 LEU HD1 . 10069 1 524 . 1 1 44 44 LEU HD12 H 1 0.914 0.030 . 1 . . . . 44 LEU HD1 . 10069 1 525 . 1 1 44 44 LEU HD13 H 1 0.914 0.030 . 1 . . . . 44 LEU HD1 . 10069 1 526 . 1 1 44 44 LEU HD21 H 1 1.029 0.030 . 1 . . . . 44 LEU HD2 . 10069 1 527 . 1 1 44 44 LEU HD22 H 1 1.029 0.030 . 1 . . . . 44 LEU HD2 . 10069 1 528 . 1 1 44 44 LEU HD23 H 1 1.029 0.030 . 1 . . . . 44 LEU HD2 . 10069 1 529 . 1 1 44 44 LEU C C 13 178.268 0.300 . 1 . . . . 44 LEU C . 10069 1 530 . 1 1 44 44 LEU CA C 13 58.496 0.300 . 1 . . . . 44 LEU CA . 10069 1 531 . 1 1 44 44 LEU CB C 13 43.773 0.300 . 1 . . . . 44 LEU CB . 10069 1 532 . 1 1 44 44 LEU CG C 13 27.037 0.300 . 1 . . . . 44 LEU CG . 10069 1 533 . 1 1 44 44 LEU CD1 C 13 25.165 0.300 . 2 . . . . 44 LEU CD1 . 10069 1 534 . 1 1 44 44 LEU CD2 C 13 25.555 0.300 . 2 . . . . 44 LEU CD2 . 10069 1 535 . 1 1 44 44 LEU N N 15 120.978 0.300 . 1 . . . . 44 LEU N . 10069 1 536 . 1 1 45 45 GLU H H 1 10.321 0.030 . 1 . . . . 45 GLU H . 10069 1 537 . 1 1 45 45 GLU HA H 1 4.240 0.030 . 1 . . . . 45 GLU HA . 10069 1 538 . 1 1 45 45 GLU HB2 H 1 2.051 0.030 . 2 . . . . 45 GLU HB2 . 10069 1 539 . 1 1 45 45 GLU HB3 H 1 1.908 0.030 . 2 . . . . 45 GLU HB3 . 10069 1 540 . 1 1 45 45 GLU HG2 H 1 2.101 0.030 . 2 . . . . 45 GLU HG2 . 10069 1 541 . 1 1 45 45 GLU HG3 H 1 1.975 0.030 . 2 . . . . 45 GLU HG3 . 10069 1 542 . 1 1 45 45 GLU C C 13 177.103 0.300 . 1 . . . . 45 GLU C . 10069 1 543 . 1 1 45 45 GLU CA C 13 58.499 0.300 . 1 . . . . 45 GLU CA . 10069 1 544 . 1 1 45 45 GLU CB C 13 27.511 0.300 . 1 . . . . 45 GLU CB . 10069 1 545 . 1 1 45 45 GLU CG C 13 35.247 0.300 . 1 . . . . 45 GLU CG . 10069 1 546 . 1 1 45 45 GLU N N 15 115.593 0.300 . 1 . . . . 45 GLU N . 10069 1 547 . 1 1 46 46 ARG H H 1 7.904 0.030 . 1 . . . . 46 ARG H . 10069 1 548 . 1 1 46 46 ARG HA H 1 3.898 0.030 . 1 . . . . 46 ARG HA . 10069 1 549 . 1 1 46 46 ARG HB2 H 1 1.248 0.030 . 2 . . . . 46 ARG HB2 . 10069 1 550 . 1 1 46 46 ARG HB3 H 1 0.831 0.030 . 2 . . . . 46 ARG HB3 . 10069 1 551 . 1 1 46 46 ARG HG2 H 1 1.340 0.030 . 2 . . . . 46 ARG HG2 . 10069 1 552 . 1 1 46 46 ARG HG3 H 1 1.003 0.030 . 2 . . . . 46 ARG HG3 . 10069 1 553 . 1 1 46 46 ARG HD2 H 1 2.692 0.030 . 2 . . . . 46 ARG HD2 . 10069 1 554 . 1 1 46 46 ARG HD3 H 1 2.326 0.030 . 2 . . . . 46 ARG HD3 . 10069 1 555 . 1 1 46 46 ARG HE H 1 7.126 0.030 . 1 . . . . 46 ARG HE . 10069 1 556 . 1 1 46 46 ARG C C 13 174.918 0.300 . 1 . . . . 46 ARG C . 10069 1 557 . 1 1 46 46 ARG CA C 13 57.091 0.300 . 1 . . . . 46 ARG CA . 10069 1 558 . 1 1 46 46 ARG CB C 13 29.339 0.300 . 1 . . . . 46 ARG CB . 10069 1 559 . 1 1 46 46 ARG CG C 13 28.453 0.300 . 1 . . . . 46 ARG CG . 10069 1 560 . 1 1 46 46 ARG CD C 13 42.499 0.300 . 1 . . . . 46 ARG CD . 10069 1 561 . 1 1 46 46 ARG N N 15 120.166 0.300 . 1 . . . . 46 ARG N . 10069 1 562 . 1 1 46 46 ARG NE N 15 83.620 0.300 . 1 . . . . 46 ARG NE . 10069 1 563 . 1 1 47 47 HIS H H 1 7.853 0.030 . 1 . . . . 47 HIS H . 10069 1 564 . 1 1 47 47 HIS HA H 1 4.562 0.030 . 1 . . . . 47 HIS HA . 10069 1 565 . 1 1 47 47 HIS HB2 H 1 3.923 0.030 . 2 . . . . 47 HIS HB2 . 10069 1 566 . 1 1 47 47 HIS HB3 H 1 3.528 0.030 . 2 . . . . 47 HIS HB3 . 10069 1 567 . 1 1 47 47 HIS HD2 H 1 7.197 0.030 . 1 . . . . 47 HIS HD2 . 10069 1 568 . 1 1 47 47 HIS HE1 H 1 8.350 0.030 . 1 . . . . 47 HIS HE1 . 10069 1 569 . 1 1 47 47 HIS C C 13 172.514 0.300 . 1 . . . . 47 HIS C . 10069 1 570 . 1 1 47 47 HIS CA C 13 56.763 0.300 . 1 . . . . 47 HIS CA . 10069 1 571 . 1 1 47 47 HIS CB C 13 29.596 0.300 . 1 . . . . 47 HIS CB . 10069 1 572 . 1 1 47 47 HIS CD2 C 13 129.972 0.300 . 1 . . . . 47 HIS CD2 . 10069 1 573 . 1 1 47 47 HIS CE1 C 13 139.033 0.300 . 1 . . . . 47 HIS CE1 . 10069 1 574 . 1 1 47 47 HIS N N 15 114.999 0.300 . 1 . . . . 47 HIS N . 10069 1 575 . 1 1 48 48 LEU H H 1 6.711 0.030 . 1 . . . . 48 LEU H . 10069 1 576 . 1 1 48 48 LEU HA H 1 5.091 0.030 . 1 . . . . 48 LEU HA . 10069 1 577 . 1 1 48 48 LEU HB2 H 1 2.175 0.030 . 2 . . . . 48 LEU HB2 . 10069 1 578 . 1 1 48 48 LEU HB3 H 1 1.744 0.030 . 2 . . . . 48 LEU HB3 . 10069 1 579 . 1 1 48 48 LEU HG H 1 1.983 0.030 . 1 . . . . 48 LEU HG . 10069 1 580 . 1 1 48 48 LEU HD11 H 1 1.169 0.030 . 1 . . . . 48 LEU HD1 . 10069 1 581 . 1 1 48 48 LEU HD12 H 1 1.169 0.030 . 1 . . . . 48 LEU HD1 . 10069 1 582 . 1 1 48 48 LEU HD13 H 1 1.169 0.030 . 1 . . . . 48 LEU HD1 . 10069 1 583 . 1 1 48 48 LEU HD21 H 1 0.961 0.030 . 1 . . . . 48 LEU HD2 . 10069 1 584 . 1 1 48 48 LEU HD22 H 1 0.961 0.030 . 1 . . . . 48 LEU HD2 . 10069 1 585 . 1 1 48 48 LEU HD23 H 1 0.961 0.030 . 1 . . . . 48 LEU HD2 . 10069 1 586 . 1 1 48 48 LEU C C 13 178.462 0.300 . 1 . . . . 48 LEU C . 10069 1 587 . 1 1 48 48 LEU CA C 13 53.578 0.300 . 1 . . . . 48 LEU CA . 10069 1 588 . 1 1 48 48 LEU CB C 13 44.280 0.300 . 1 . . . . 48 LEU CB . 10069 1 589 . 1 1 48 48 LEU CG C 13 26.883 0.300 . 1 . . . . 48 LEU CG . 10069 1 590 . 1 1 48 48 LEU CD1 C 13 24.569 0.300 . 2 . . . . 48 LEU CD1 . 10069 1 591 . 1 1 48 48 LEU CD2 C 13 26.794 0.300 . 2 . . . . 48 LEU CD2 . 10069 1 592 . 1 1 48 48 LEU N N 15 115.516 0.300 . 1 . . . . 48 LEU N . 10069 1 593 . 1 1 49 49 SER H H 1 10.010 0.030 . 1 . . . . 49 SER H . 10069 1 594 . 1 1 49 49 SER HA H 1 4.371 0.030 . 1 . . . . 49 SER HA . 10069 1 595 . 1 1 49 49 SER HB2 H 1 4.562 0.030 . 2 . . . . 49 SER HB2 . 10069 1 596 . 1 1 49 49 SER HB3 H 1 4.153 0.030 . 2 . . . . 49 SER HB3 . 10069 1 597 . 1 1 49 49 SER C C 13 173.485 0.300 . 1 . . . . 49 SER C . 10069 1 598 . 1 1 49 49 SER CA C 13 57.250 0.300 . 1 . . . . 49 SER CA . 10069 1 599 . 1 1 49 49 SER CB C 13 64.623 0.300 . 1 . . . . 49 SER CB . 10069 1 600 . 1 1 49 49 SER N N 15 119.583 0.300 . 1 . . . . 49 SER N . 10069 1 601 . 1 1 50 50 GLN H H 1 9.111 0.030 . 1 . . . . 50 GLN H . 10069 1 602 . 1 1 50 50 GLN HA H 1 4.328 0.030 . 1 . . . . 50 GLN HA . 10069 1 603 . 1 1 50 50 GLN HB2 H 1 2.166 0.030 . 1 . . . . 50 GLN HB2 . 10069 1 604 . 1 1 50 50 GLN HB3 H 1 2.166 0.030 . 1 . . . . 50 GLN HB3 . 10069 1 605 . 1 1 50 50 GLN HG2 H 1 2.572 0.030 . 2 . . . . 50 GLN HG2 . 10069 1 606 . 1 1 50 50 GLN HG3 H 1 2.469 0.030 . 2 . . . . 50 GLN HG3 . 10069 1 607 . 1 1 50 50 GLN HE21 H 1 7.640 0.030 . 2 . . . . 50 GLN HE21 . 10069 1 608 . 1 1 50 50 GLN HE22 H 1 6.869 0.030 . 2 . . . . 50 GLN HE22 . 10069 1 609 . 1 1 50 50 GLN C C 13 179.264 0.300 . 1 . . . . 50 GLN C . 10069 1 610 . 1 1 50 50 GLN CA C 13 59.824 0.300 . 1 . . . . 50 GLN CA . 10069 1 611 . 1 1 50 50 GLN CB C 13 28.411 0.300 . 1 . . . . 50 GLN CB . 10069 1 612 . 1 1 50 50 GLN CG C 13 34.405 0.300 . 1 . . . . 50 GLN CG . 10069 1 613 . 1 1 50 50 GLN N N 15 121.190 0.300 . 1 . . . . 50 GLN N . 10069 1 614 . 1 1 50 50 GLN NE2 N 15 112.159 0.300 . 1 . . . . 50 GLN NE2 . 10069 1 615 . 1 1 51 51 GLU H H 1 8.987 0.030 . 1 . . . . 51 GLU H . 10069 1 616 . 1 1 51 51 GLU HA H 1 4.195 0.030 . 1 . . . . 51 GLU HA . 10069 1 617 . 1 1 51 51 GLU HB2 H 1 2.145 0.030 . 2 . . . . 51 GLU HB2 . 10069 1 618 . 1 1 51 51 GLU HB3 H 1 2.004 0.030 . 2 . . . . 51 GLU HB3 . 10069 1 619 . 1 1 51 51 GLU HG2 H 1 2.441 0.030 . 2 . . . . 51 GLU HG2 . 10069 1 620 . 1 1 51 51 GLU HG3 H 1 2.337 0.030 . 2 . . . . 51 GLU HG3 . 10069 1 621 . 1 1 51 51 GLU C C 13 179.288 0.300 . 1 . . . . 51 GLU C . 10069 1 622 . 1 1 51 51 GLU CA C 13 60.389 0.300 . 1 . . . . 51 GLU CA . 10069 1 623 . 1 1 51 51 GLU CB C 13 29.367 0.300 . 1 . . . . 51 GLU CB . 10069 1 624 . 1 1 51 51 GLU CG C 13 36.932 0.300 . 1 . . . . 51 GLU CG . 10069 1 625 . 1 1 51 51 GLU N N 15 119.261 0.300 . 1 . . . . 51 GLU N . 10069 1 626 . 1 1 52 52 GLU H H 1 8.157 0.030 . 1 . . . . 52 GLU H . 10069 1 627 . 1 1 52 52 GLU HA H 1 4.128 0.030 . 1 . . . . 52 GLU HA . 10069 1 628 . 1 1 52 52 GLU HB2 H 1 2.214 0.030 . 2 . . . . 52 GLU HB2 . 10069 1 629 . 1 1 52 52 GLU HB3 H 1 1.945 0.030 . 2 . . . . 52 GLU HB3 . 10069 1 630 . 1 1 52 52 GLU HG2 H 1 2.594 0.030 . 2 . . . . 52 GLU HG2 . 10069 1 631 . 1 1 52 52 GLU HG3 H 1 2.180 0.030 . 2 . . . . 52 GLU HG3 . 10069 1 632 . 1 1 52 52 GLU C C 13 177.516 0.300 . 1 . . . . 52 GLU C . 10069 1 633 . 1 1 52 52 GLU CA C 13 60.449 0.300 . 1 . . . . 52 GLU CA . 10069 1 634 . 1 1 52 52 GLU CB C 13 29.980 0.300 . 1 . . . . 52 GLU CB . 10069 1 635 . 1 1 52 52 GLU CG C 13 39.233 0.300 . 1 . . . . 52 GLU CG . 10069 1 636 . 1 1 52 52 GLU N N 15 120.204 0.300 . 1 . . . . 52 GLU N . 10069 1 637 . 1 1 53 53 PHE H H 1 9.501 0.030 . 1 . . . . 53 PHE H . 10069 1 638 . 1 1 53 53 PHE HA H 1 3.759 0.030 . 1 . . . . 53 PHE HA . 10069 1 639 . 1 1 53 53 PHE HB2 H 1 3.326 0.030 . 2 . . . . 53 PHE HB2 . 10069 1 640 . 1 1 53 53 PHE HB3 H 1 3.169 0.030 . 2 . . . . 53 PHE HB3 . 10069 1 641 . 1 1 53 53 PHE HD1 H 1 7.481 0.030 . 1 . . . . 53 PHE HD1 . 10069 1 642 . 1 1 53 53 PHE HD2 H 1 7.481 0.030 . 1 . . . . 53 PHE HD2 . 10069 1 643 . 1 1 53 53 PHE HE1 H 1 6.326 0.030 . 1 . . . . 53 PHE HE1 . 10069 1 644 . 1 1 53 53 PHE HE2 H 1 6.326 0.030 . 1 . . . . 53 PHE HE2 . 10069 1 645 . 1 1 53 53 PHE HZ H 1 5.657 0.030 . 1 . . . . 53 PHE HZ . 10069 1 646 . 1 1 53 53 PHE C C 13 177.103 0.300 . 1 . . . . 53 PHE C . 10069 1 647 . 1 1 53 53 PHE CA C 13 63.078 0.300 . 1 . . . . 53 PHE CA . 10069 1 648 . 1 1 53 53 PHE CB C 13 39.612 0.300 . 1 . . . . 53 PHE CB . 10069 1 649 . 1 1 53 53 PHE CD1 C 13 132.475 0.300 . 1 . . . . 53 PHE CD1 . 10069 1 650 . 1 1 53 53 PHE CD2 C 13 132.475 0.300 . 1 . . . . 53 PHE CD2 . 10069 1 651 . 1 1 53 53 PHE CE1 C 13 130.560 0.300 . 1 . . . . 53 PHE CE1 . 10069 1 652 . 1 1 53 53 PHE CE2 C 13 130.560 0.300 . 1 . . . . 53 PHE CE2 . 10069 1 653 . 1 1 53 53 PHE CZ C 13 128.880 0.300 . 1 . . . . 53 PHE CZ . 10069 1 654 . 1 1 53 53 PHE N N 15 121.011 0.300 . 1 . . . . 53 PHE N . 10069 1 655 . 1 1 54 54 TYR H H 1 7.929 0.030 . 1 . . . . 54 TYR H . 10069 1 656 . 1 1 54 54 TYR HA H 1 4.293 0.030 . 1 . . . . 54 TYR HA . 10069 1 657 . 1 1 54 54 TYR HB2 H 1 3.382 0.030 . 2 . . . . 54 TYR HB2 . 10069 1 658 . 1 1 54 54 TYR HB3 H 1 3.084 0.030 . 2 . . . . 54 TYR HB3 . 10069 1 659 . 1 1 54 54 TYR HD1 H 1 6.927 0.030 . 1 . . . . 54 TYR HD1 . 10069 1 660 . 1 1 54 54 TYR HD2 H 1 6.927 0.030 . 1 . . . . 54 TYR HD2 . 10069 1 661 . 1 1 54 54 TYR HE1 H 1 6.785 0.030 . 1 . . . . 54 TYR HE1 . 10069 1 662 . 1 1 54 54 TYR HE2 H 1 6.785 0.030 . 1 . . . . 54 TYR HE2 . 10069 1 663 . 1 1 54 54 TYR C C 13 179.118 0.300 . 1 . . . . 54 TYR C . 10069 1 664 . 1 1 54 54 TYR CA C 13 61.758 0.300 . 1 . . . . 54 TYR CA . 10069 1 665 . 1 1 54 54 TYR CB C 13 38.163 0.300 . 1 . . . . 54 TYR CB . 10069 1 666 . 1 1 54 54 TYR CD1 C 13 133.074 0.300 . 1 . . . . 54 TYR CD1 . 10069 1 667 . 1 1 54 54 TYR CD2 C 13 133.074 0.300 . 1 . . . . 54 TYR CD2 . 10069 1 668 . 1 1 54 54 TYR CE1 C 13 117.693 0.300 . 1 . . . . 54 TYR CE1 . 10069 1 669 . 1 1 54 54 TYR CE2 C 13 117.693 0.300 . 1 . . . . 54 TYR CE2 . 10069 1 670 . 1 1 54 54 TYR N N 15 118.204 0.300 . 1 . . . . 54 TYR N . 10069 1 671 . 1 1 55 55 GLN H H 1 7.817 0.030 . 1 . . . . 55 GLN H . 10069 1 672 . 1 1 55 55 GLN HA H 1 3.883 0.030 . 1 . . . . 55 GLN HA . 10069 1 673 . 1 1 55 55 GLN HB2 H 1 2.259 0.030 . 2 . . . . 55 GLN HB2 . 10069 1 674 . 1 1 55 55 GLN HB3 H 1 2.142 0.030 . 2 . . . . 55 GLN HB3 . 10069 1 675 . 1 1 55 55 GLN HG2 H 1 2.567 0.030 . 2 . . . . 55 GLN HG2 . 10069 1 676 . 1 1 55 55 GLN HG3 H 1 2.408 0.030 . 2 . . . . 55 GLN HG3 . 10069 1 677 . 1 1 55 55 GLN HE21 H 1 7.470 0.030 . 2 . . . . 55 GLN HE21 . 10069 1 678 . 1 1 55 55 GLN HE22 H 1 6.892 0.030 . 2 . . . . 55 GLN HE22 . 10069 1 679 . 1 1 55 55 GLN C C 13 177.030 0.300 . 1 . . . . 55 GLN C . 10069 1 680 . 1 1 55 55 GLN CA C 13 58.962 0.300 . 1 . . . . 55 GLN CA . 10069 1 681 . 1 1 55 55 GLN CB C 13 28.800 0.300 . 1 . . . . 55 GLN CB . 10069 1 682 . 1 1 55 55 GLN CG C 13 33.768 0.300 . 1 . . . . 55 GLN CG . 10069 1 683 . 1 1 55 55 GLN N N 15 119.087 0.300 . 1 . . . . 55 GLN N . 10069 1 684 . 1 1 55 55 GLN NE2 N 15 111.216 0.300 . 1 . . . . 55 GLN NE2 . 10069 1 685 . 1 1 56 56 VAL H H 1 7.997 0.030 . 1 . . . . 56 VAL H . 10069 1 686 . 1 1 56 56 VAL HA H 1 3.248 0.030 . 1 . . . . 56 VAL HA . 10069 1 687 . 1 1 56 56 VAL HB H 1 1.144 0.030 . 1 . . . . 56 VAL HB . 10069 1 688 . 1 1 56 56 VAL HG11 H 1 -0.007 0.030 . 1 . . . . 56 VAL HG1 . 10069 1 689 . 1 1 56 56 VAL HG12 H 1 -0.007 0.030 . 1 . . . . 56 VAL HG1 . 10069 1 690 . 1 1 56 56 VAL HG13 H 1 -0.007 0.030 . 1 . . . . 56 VAL HG1 . 10069 1 691 . 1 1 56 56 VAL HG21 H 1 -0.481 0.030 . 1 . . . . 56 VAL HG2 . 10069 1 692 . 1 1 56 56 VAL HG22 H 1 -0.481 0.030 . 1 . . . . 56 VAL HG2 . 10069 1 693 . 1 1 56 56 VAL HG23 H 1 -0.481 0.030 . 1 . . . . 56 VAL HG2 . 10069 1 694 . 1 1 56 56 VAL C C 13 177.054 0.300 . 1 . . . . 56 VAL C . 10069 1 695 . 1 1 56 56 VAL CA C 13 65.543 0.300 . 1 . . . . 56 VAL CA . 10069 1 696 . 1 1 56 56 VAL CB C 13 32.199 0.300 . 1 . . . . 56 VAL CB . 10069 1 697 . 1 1 56 56 VAL CG1 C 13 21.192 0.300 . 2 . . . . 56 VAL CG1 . 10069 1 698 . 1 1 56 56 VAL CG2 C 13 21.009 0.300 . 2 . . . . 56 VAL CG2 . 10069 1 699 . 1 1 56 56 VAL N N 15 117.888 0.300 . 1 . . . . 56 VAL N . 10069 1 700 . 1 1 57 57 PHE H H 1 8.327 0.030 . 1 . . . . 57 PHE H . 10069 1 701 . 1 1 57 57 PHE HA H 1 4.346 0.030 . 1 . . . . 57 PHE HA . 10069 1 702 . 1 1 57 57 PHE HB2 H 1 2.814 0.030 . 2 . . . . 57 PHE HB2 . 10069 1 703 . 1 1 57 57 PHE HB3 H 1 2.269 0.030 . 2 . . . . 57 PHE HB3 . 10069 1 704 . 1 1 57 57 PHE HD1 H 1 6.242 0.030 . 1 . . . . 57 PHE HD1 . 10069 1 705 . 1 1 57 57 PHE HD2 H 1 6.242 0.030 . 1 . . . . 57 PHE HD2 . 10069 1 706 . 1 1 57 57 PHE HE1 H 1 6.475 0.030 . 1 . . . . 57 PHE HE1 . 10069 1 707 . 1 1 57 57 PHE HE2 H 1 6.475 0.030 . 1 . . . . 57 PHE HE2 . 10069 1 708 . 1 1 57 57 PHE HZ H 1 6.589 0.030 . 1 . . . . 57 PHE HZ . 10069 1 709 . 1 1 57 57 PHE C C 13 176.423 0.300 . 1 . . . . 57 PHE C . 10069 1 710 . 1 1 57 57 PHE CA C 13 59.652 0.300 . 1 . . . . 57 PHE CA . 10069 1 711 . 1 1 57 57 PHE CB C 13 40.345 0.300 . 1 . . . . 57 PHE CB . 10069 1 712 . 1 1 57 57 PHE CD1 C 13 131.771 0.300 . 1 . . . . 57 PHE CD1 . 10069 1 713 . 1 1 57 57 PHE CD2 C 13 131.771 0.300 . 1 . . . . 57 PHE CD2 . 10069 1 714 . 1 1 57 57 PHE CE1 C 13 129.519 0.300 . 1 . . . . 57 PHE CE1 . 10069 1 715 . 1 1 57 57 PHE CE2 C 13 129.519 0.300 . 1 . . . . 57 PHE CE2 . 10069 1 716 . 1 1 57 57 PHE CZ C 13 127.179 0.300 . 1 . . . . 57 PHE CZ . 10069 1 717 . 1 1 57 57 PHE N N 15 113.636 0.300 . 1 . . . . 57 PHE N . 10069 1 718 . 1 1 58 58 GLY H H 1 8.347 0.030 . 1 . . . . 58 GLY H . 10069 1 719 . 1 1 58 58 GLY HA2 H 1 3.687 0.030 . 2 . . . . 58 GLY HA2 . 10069 1 720 . 1 1 58 58 GLY HA3 H 1 3.186 0.030 . 2 . . . . 58 GLY HA3 . 10069 1 721 . 1 1 58 58 GLY C C 13 171.932 0.300 . 1 . . . . 58 GLY C . 10069 1 722 . 1 1 58 58 GLY CA C 13 46.174 0.300 . 1 . . . . 58 GLY CA . 10069 1 723 . 1 1 58 58 GLY N N 15 109.347 0.300 . 1 . . . . 58 GLY N . 10069 1 724 . 1 1 59 59 MET H H 1 7.344 0.030 . 1 . . . . 59 MET H . 10069 1 725 . 1 1 59 59 MET HA H 1 4.840 0.030 . 1 . . . . 59 MET HA . 10069 1 726 . 1 1 59 59 MET HB2 H 1 2.361 0.030 . 2 . . . . 59 MET HB2 . 10069 1 727 . 1 1 59 59 MET HB3 H 1 2.276 0.030 . 2 . . . . 59 MET HB3 . 10069 1 728 . 1 1 59 59 MET HG2 H 1 2.779 0.030 . 2 . . . . 59 MET HG2 . 10069 1 729 . 1 1 59 59 MET HG3 H 1 2.251 0.030 . 2 . . . . 59 MET HG3 . 10069 1 730 . 1 1 59 59 MET HE1 H 1 2.158 0.030 . 1 . . . . 59 MET HE . 10069 1 731 . 1 1 59 59 MET HE2 H 1 2.158 0.030 . 1 . . . . 59 MET HE . 10069 1 732 . 1 1 59 59 MET HE3 H 1 2.158 0.030 . 1 . . . . 59 MET HE . 10069 1 733 . 1 1 59 59 MET C C 13 172.636 0.300 . 1 . . . . 59 MET C . 10069 1 734 . 1 1 59 59 MET CA C 13 53.787 0.300 . 1 . . . . 59 MET CA . 10069 1 735 . 1 1 59 59 MET CB C 13 34.606 0.300 . 1 . . . . 59 MET CB . 10069 1 736 . 1 1 59 59 MET CG C 13 29.388 0.300 . 1 . . . . 59 MET CG . 10069 1 737 . 1 1 59 59 MET CE C 13 16.745 0.300 . 1 . . . . 59 MET CE . 10069 1 738 . 1 1 59 59 MET N N 15 112.748 0.300 . 1 . . . . 59 MET N . 10069 1 739 . 1 1 60 60 THR H H 1 8.584 0.030 . 1 . . . . 60 THR H . 10069 1 740 . 1 1 60 60 THR HA H 1 4.899 0.030 . 1 . . . . 60 THR HA . 10069 1 741 . 1 1 60 60 THR HB H 1 4.640 0.030 . 1 . . . . 60 THR HB . 10069 1 742 . 1 1 60 60 THR HG21 H 1 1.434 0.030 . 1 . . . . 60 THR HG2 . 10069 1 743 . 1 1 60 60 THR HG22 H 1 1.434 0.030 . 1 . . . . 60 THR HG2 . 10069 1 744 . 1 1 60 60 THR HG23 H 1 1.434 0.030 . 1 . . . . 60 THR HG2 . 10069 1 745 . 1 1 60 60 THR C C 13 176.884 0.300 . 1 . . . . 60 THR C . 10069 1 746 . 1 1 60 60 THR CA C 13 60.989 0.300 . 1 . . . . 60 THR CA . 10069 1 747 . 1 1 60 60 THR CB C 13 71.830 0.300 . 1 . . . . 60 THR CB . 10069 1 748 . 1 1 60 60 THR CG2 C 13 21.890 0.300 . 1 . . . . 60 THR CG2 . 10069 1 749 . 1 1 60 60 THR N N 15 107.625 0.300 . 1 . . . . 60 THR N . 10069 1 750 . 1 1 61 61 ILE H H 1 8.957 0.030 . 1 . . . . 61 ILE H . 10069 1 751 . 1 1 61 61 ILE HA H 1 3.499 0.030 . 1 . . . . 61 ILE HA . 10069 1 752 . 1 1 61 61 ILE HB H 1 0.274 0.030 . 1 . . . . 61 ILE HB . 10069 1 753 . 1 1 61 61 ILE HG12 H 1 0.919 0.030 . 1 . . . . 61 ILE HG12 . 10069 1 754 . 1 1 61 61 ILE HG13 H 1 0.919 0.030 . 1 . . . . 61 ILE HG13 . 10069 1 755 . 1 1 61 61 ILE HG21 H 1 0.643 0.030 . 1 . . . . 61 ILE HG2 . 10069 1 756 . 1 1 61 61 ILE HG22 H 1 0.643 0.030 . 1 . . . . 61 ILE HG2 . 10069 1 757 . 1 1 61 61 ILE HG23 H 1 0.643 0.030 . 1 . . . . 61 ILE HG2 . 10069 1 758 . 1 1 61 61 ILE HD11 H 1 0.437 0.030 . 1 . . . . 61 ILE HD1 . 10069 1 759 . 1 1 61 61 ILE HD12 H 1 0.437 0.030 . 1 . . . . 61 ILE HD1 . 10069 1 760 . 1 1 61 61 ILE HD13 H 1 0.437 0.030 . 1 . . . . 61 ILE HD1 . 10069 1 761 . 1 1 61 61 ILE C C 13 175.816 0.300 . 1 . . . . 61 ILE C . 10069 1 762 . 1 1 61 61 ILE CA C 13 64.554 0.300 . 1 . . . . 61 ILE CA . 10069 1 763 . 1 1 61 61 ILE CB C 13 37.306 0.300 . 1 . . . . 61 ILE CB . 10069 1 764 . 1 1 61 61 ILE CG1 C 13 29.408 0.300 . 1 . . . . 61 ILE CG1 . 10069 1 765 . 1 1 61 61 ILE CG2 C 13 16.239 0.300 . 1 . . . . 61 ILE CG2 . 10069 1 766 . 1 1 61 61 ILE CD1 C 13 14.520 0.300 . 1 . . . . 61 ILE CD1 . 10069 1 767 . 1 1 61 61 ILE N N 15 123.131 0.300 . 1 . . . . 61 ILE N . 10069 1 768 . 1 1 62 62 SER H H 1 7.581 0.030 . 1 . . . . 62 SER H . 10069 1 769 . 1 1 62 62 SER HA H 1 4.225 0.030 . 1 . . . . 62 SER HA . 10069 1 770 . 1 1 62 62 SER HB2 H 1 3.811 0.030 . 1 . . . . 62 SER HB2 . 10069 1 771 . 1 1 62 62 SER HB3 H 1 3.811 0.030 . 1 . . . . 62 SER HB3 . 10069 1 772 . 1 1 62 62 SER C C 13 176.836 0.300 . 1 . . . . 62 SER C . 10069 1 773 . 1 1 62 62 SER CA C 13 61.164 0.300 . 1 . . . . 62 SER CA . 10069 1 774 . 1 1 62 62 SER CB C 13 62.468 0.300 . 1 . . . . 62 SER CB . 10069 1 775 . 1 1 62 62 SER N N 15 115.653 0.300 . 1 . . . . 62 SER N . 10069 1 776 . 1 1 63 63 GLU H H 1 7.136 0.030 . 1 . . . . 63 GLU H . 10069 1 777 . 1 1 63 63 GLU HA H 1 3.903 0.030 . 1 . . . . 63 GLU HA . 10069 1 778 . 1 1 63 63 GLU HB2 H 1 2.304 0.030 . 2 . . . . 63 GLU HB2 . 10069 1 779 . 1 1 63 63 GLU HB3 H 1 2.088 0.030 . 2 . . . . 63 GLU HB3 . 10069 1 780 . 1 1 63 63 GLU HG2 H 1 2.305 0.030 . 1 . . . . 63 GLU HG2 . 10069 1 781 . 1 1 63 63 GLU HG3 H 1 2.305 0.030 . 1 . . . . 63 GLU HG3 . 10069 1 782 . 1 1 63 63 GLU C C 13 178.608 0.300 . 1 . . . . 63 GLU C . 10069 1 783 . 1 1 63 63 GLU CA C 13 58.997 0.300 . 1 . . . . 63 GLU CA . 10069 1 784 . 1 1 63 63 GLU CB C 13 30.159 0.300 . 1 . . . . 63 GLU CB . 10069 1 785 . 1 1 63 63 GLU CG C 13 37.379 0.300 . 1 . . . . 63 GLU CG . 10069 1 786 . 1 1 63 63 GLU N N 15 120.738 0.300 . 1 . . . . 63 GLU N . 10069 1 787 . 1 1 64 64 PHE H H 1 8.389 0.030 . 1 . . . . 64 PHE H . 10069 1 788 . 1 1 64 64 PHE HA H 1 4.148 0.030 . 1 . . . . 64 PHE HA . 10069 1 789 . 1 1 64 64 PHE HB2 H 1 3.319 0.030 . 2 . . . . 64 PHE HB2 . 10069 1 790 . 1 1 64 64 PHE HB3 H 1 2.978 0.030 . 2 . . . . 64 PHE HB3 . 10069 1 791 . 1 1 64 64 PHE HD1 H 1 7.146 0.030 . 1 . . . . 64 PHE HD1 . 10069 1 792 . 1 1 64 64 PHE HD2 H 1 7.146 0.030 . 1 . . . . 64 PHE HD2 . 10069 1 793 . 1 1 64 64 PHE HE1 H 1 7.061 0.030 . 1 . . . . 64 PHE HE1 . 10069 1 794 . 1 1 64 64 PHE HE2 H 1 7.061 0.030 . 1 . . . . 64 PHE HE2 . 10069 1 795 . 1 1 64 64 PHE HZ H 1 6.841 0.030 . 1 . . . . 64 PHE HZ . 10069 1 796 . 1 1 64 64 PHE C C 13 176.544 0.300 . 1 . . . . 64 PHE C . 10069 1 797 . 1 1 64 64 PHE CA C 13 61.138 0.300 . 1 . . . . 64 PHE CA . 10069 1 798 . 1 1 64 64 PHE CB C 13 40.661 0.300 . 1 . . . . 64 PHE CB . 10069 1 799 . 1 1 64 64 PHE CD1 C 13 132.250 0.300 . 1 . . . . 64 PHE CD1 . 10069 1 800 . 1 1 64 64 PHE CD2 C 13 132.250 0.300 . 1 . . . . 64 PHE CD2 . 10069 1 801 . 1 1 64 64 PHE CE1 C 13 130.891 0.300 . 1 . . . . 64 PHE CE1 . 10069 1 802 . 1 1 64 64 PHE CE2 C 13 130.891 0.300 . 1 . . . . 64 PHE CE2 . 10069 1 803 . 1 1 64 64 PHE CZ C 13 128.754 0.300 . 1 . . . . 64 PHE CZ . 10069 1 804 . 1 1 64 64 PHE N N 15 123.605 0.300 . 1 . . . . 64 PHE N . 10069 1 805 . 1 1 65 65 ASP H H 1 8.503 0.030 . 1 . . . . 65 ASP H . 10069 1 806 . 1 1 65 65 ASP HA H 1 4.326 0.030 . 1 . . . . 65 ASP HA . 10069 1 807 . 1 1 65 65 ASP HB2 H 1 2.641 0.030 . 2 . . . . 65 ASP HB2 . 10069 1 808 . 1 1 65 65 ASP HB3 H 1 2.587 0.030 . 2 . . . . 65 ASP HB3 . 10069 1 809 . 1 1 65 65 ASP C C 13 177.054 0.300 . 1 . . . . 65 ASP C . 10069 1 810 . 1 1 65 65 ASP CA C 13 56.309 0.300 . 1 . . . . 65 ASP CA . 10069 1 811 . 1 1 65 65 ASP CB C 13 40.593 0.300 . 1 . . . . 65 ASP CB . 10069 1 812 . 1 1 65 65 ASP N N 15 116.099 0.300 . 1 . . . . 65 ASP N . 10069 1 813 . 1 1 66 66 ARG H H 1 7.070 0.030 . 1 . . . . 66 ARG H . 10069 1 814 . 1 1 66 66 ARG HA H 1 4.218 0.030 . 1 . . . . 66 ARG HA . 10069 1 815 . 1 1 66 66 ARG HB2 H 1 1.974 0.030 . 2 . . . . 66 ARG HB2 . 10069 1 816 . 1 1 66 66 ARG HB3 H 1 1.788 0.030 . 2 . . . . 66 ARG HB3 . 10069 1 817 . 1 1 66 66 ARG HG2 H 1 1.890 0.030 . 2 . . . . 66 ARG HG2 . 10069 1 818 . 1 1 66 66 ARG HG3 H 1 1.661 0.030 . 2 . . . . 66 ARG HG3 . 10069 1 819 . 1 1 66 66 ARG HD2 H 1 3.204 0.030 . 1 . . . . 66 ARG HD2 . 10069 1 820 . 1 1 66 66 ARG HD3 H 1 3.204 0.030 . 1 . . . . 66 ARG HD3 . 10069 1 821 . 1 1 66 66 ARG C C 13 177.006 0.300 . 1 . . . . 66 ARG C . 10069 1 822 . 1 1 66 66 ARG CA C 13 56.541 0.300 . 1 . . . . 66 ARG CA . 10069 1 823 . 1 1 66 66 ARG CB C 13 31.021 0.300 . 1 . . . . 66 ARG CB . 10069 1 824 . 1 1 66 66 ARG CG C 13 27.822 0.300 . 1 . . . . 66 ARG CG . 10069 1 825 . 1 1 66 66 ARG CD C 13 43.843 0.300 . 1 . . . . 66 ARG CD . 10069 1 826 . 1 1 66 66 ARG N N 15 115.822 0.300 . 1 . . . . 66 ARG N . 10069 1 827 . 1 1 67 67 LEU H H 1 7.449 0.030 . 1 . . . . 67 LEU H . 10069 1 828 . 1 1 67 67 LEU HA H 1 4.132 0.030 . 1 . . . . 67 LEU HA . 10069 1 829 . 1 1 67 67 LEU HB2 H 1 1.706 0.030 . 2 . . . . 67 LEU HB2 . 10069 1 830 . 1 1 67 67 LEU HB3 H 1 0.936 0.030 . 2 . . . . 67 LEU HB3 . 10069 1 831 . 1 1 67 67 LEU HG H 1 1.876 0.030 . 1 . . . . 67 LEU HG . 10069 1 832 . 1 1 67 67 LEU HD11 H 1 0.727 0.030 . 1 . . . . 67 LEU HD1 . 10069 1 833 . 1 1 67 67 LEU HD12 H 1 0.727 0.030 . 1 . . . . 67 LEU HD1 . 10069 1 834 . 1 1 67 67 LEU HD13 H 1 0.727 0.030 . 1 . . . . 67 LEU HD1 . 10069 1 835 . 1 1 67 67 LEU HD21 H 1 0.606 0.030 . 1 . . . . 67 LEU HD2 . 10069 1 836 . 1 1 67 67 LEU HD22 H 1 0.606 0.030 . 1 . . . . 67 LEU HD2 . 10069 1 837 . 1 1 67 67 LEU HD23 H 1 0.606 0.030 . 1 . . . . 67 LEU HD2 . 10069 1 838 . 1 1 67 67 LEU C C 13 176.569 0.300 . 1 . . . . 67 LEU C . 10069 1 839 . 1 1 67 67 LEU CA C 13 54.168 0.300 . 1 . . . . 67 LEU CA . 10069 1 840 . 1 1 67 67 LEU CB C 13 42.711 0.300 . 1 . . . . 67 LEU CB . 10069 1 841 . 1 1 67 67 LEU CG C 13 25.858 0.300 . 1 . . . . 67 LEU CG . 10069 1 842 . 1 1 67 67 LEU CD1 C 13 22.131 0.300 . 2 . . . . 67 LEU CD1 . 10069 1 843 . 1 1 67 67 LEU CD2 C 13 26.340 0.300 . 2 . . . . 67 LEU CD2 . 10069 1 844 . 1 1 67 67 LEU N N 15 120.580 0.300 . 1 . . . . 67 LEU N . 10069 1 845 . 1 1 68 68 ALA H H 1 8.266 0.030 . 1 . . . . 68 ALA H . 10069 1 846 . 1 1 68 68 ALA HA H 1 4.143 0.030 . 1 . . . . 68 ALA HA . 10069 1 847 . 1 1 68 68 ALA HB1 H 1 1.222 0.030 . 1 . . . . 68 ALA HB . 10069 1 848 . 1 1 68 68 ALA HB2 H 1 1.222 0.030 . 1 . . . . 68 ALA HB . 10069 1 849 . 1 1 68 68 ALA HB3 H 1 1.222 0.030 . 1 . . . . 68 ALA HB . 10069 1 850 . 1 1 68 68 ALA C C 13 178.001 0.300 . 1 . . . . 68 ALA C . 10069 1 851 . 1 1 68 68 ALA CA C 13 52.001 0.300 . 1 . . . . 68 ALA CA . 10069 1 852 . 1 1 68 68 ALA CB C 13 19.198 0.300 . 1 . . . . 68 ALA CB . 10069 1 853 . 1 1 68 68 ALA N N 15 123.529 0.300 . 1 . . . . 68 ALA N . 10069 1 854 . 1 1 69 69 LEU H H 1 8.807 0.030 . 1 . . . . 69 LEU H . 10069 1 855 . 1 1 69 69 LEU HA H 1 3.747 0.030 . 1 . . . . 69 LEU HA . 10069 1 856 . 1 1 69 69 LEU HB2 H 1 1.947 0.030 . 2 . . . . 69 LEU HB2 . 10069 1 857 . 1 1 69 69 LEU HB3 H 1 1.611 0.030 . 2 . . . . 69 LEU HB3 . 10069 1 858 . 1 1 69 69 LEU HG H 1 1.627 0.030 . 1 . . . . 69 LEU HG . 10069 1 859 . 1 1 69 69 LEU HD11 H 1 0.979 0.030 . 1 . . . . 69 LEU HD1 . 10069 1 860 . 1 1 69 69 LEU HD12 H 1 0.979 0.030 . 1 . . . . 69 LEU HD1 . 10069 1 861 . 1 1 69 69 LEU HD13 H 1 0.979 0.030 . 1 . . . . 69 LEU HD1 . 10069 1 862 . 1 1 69 69 LEU HD21 H 1 0.999 0.030 . 1 . . . . 69 LEU HD2 . 10069 1 863 . 1 1 69 69 LEU HD22 H 1 0.999 0.030 . 1 . . . . 69 LEU HD2 . 10069 1 864 . 1 1 69 69 LEU HD23 H 1 0.999 0.030 . 1 . . . . 69 LEU HD2 . 10069 1 865 . 1 1 69 69 LEU C C 13 177.831 0.300 . 1 . . . . 69 LEU C . 10069 1 866 . 1 1 69 69 LEU CA C 13 58.962 0.300 . 1 . . . . 69 LEU CA . 10069 1 867 . 1 1 69 69 LEU CB C 13 41.499 0.300 . 1 . . . . 69 LEU CB . 10069 1 868 . 1 1 69 69 LEU CG C 13 27.038 0.300 . 1 . . . . 69 LEU CG . 10069 1 869 . 1 1 69 69 LEU CD1 C 13 23.271 0.300 . 2 . . . . 69 LEU CD1 . 10069 1 870 . 1 1 69 69 LEU CD2 C 13 25.703 0.300 . 2 . . . . 69 LEU CD2 . 10069 1 871 . 1 1 69 69 LEU N N 15 124.575 0.300 . 1 . . . . 69 LEU N . 10069 1 872 . 1 1 70 70 TRP H H 1 8.185 0.030 . 1 . . . . 70 TRP H . 10069 1 873 . 1 1 70 70 TRP HA H 1 4.404 0.030 . 1 . . . . 70 TRP HA . 10069 1 874 . 1 1 70 70 TRP HB2 H 1 3.524 0.030 . 2 . . . . 70 TRP HB2 . 10069 1 875 . 1 1 70 70 TRP HB3 H 1 3.290 0.030 . 2 . . . . 70 TRP HB3 . 10069 1 876 . 1 1 70 70 TRP HD1 H 1 7.541 0.030 . 1 . . . . 70 TRP HD1 . 10069 1 877 . 1 1 70 70 TRP HE1 H 1 10.350 0.030 . 1 . . . . 70 TRP HE1 . 10069 1 878 . 1 1 70 70 TRP HE3 H 1 7.380 0.030 . 1 . . . . 70 TRP HE3 . 10069 1 879 . 1 1 70 70 TRP HZ2 H 1 7.527 0.030 . 1 . . . . 70 TRP HZ2 . 10069 1 880 . 1 1 70 70 TRP HH2 H 1 7.278 0.030 . 1 . . . . 70 TRP HH2 . 10069 1 881 . 1 1 70 70 TRP C C 13 177.758 0.300 . 1 . . . . 70 TRP C . 10069 1 882 . 1 1 70 70 TRP CA C 13 59.505 0.300 . 1 . . . . 70 TRP CA . 10069 1 883 . 1 1 70 70 TRP CB C 13 26.882 0.300 . 1 . . . . 70 TRP CB . 10069 1 884 . 1 1 70 70 TRP CD1 C 13 127.874 0.300 . 1 . . . . 70 TRP CD1 . 10069 1 885 . 1 1 70 70 TRP CE3 C 13 120.608 0.300 . 1 . . . . 70 TRP CE3 . 10069 1 886 . 1 1 70 70 TRP CZ2 C 13 114.692 0.300 . 1 . . . . 70 TRP CZ2 . 10069 1 887 . 1 1 70 70 TRP CZ3 C 13 122.436 0.300 . 1 . . . . 70 TRP CZ3 . 10069 1 888 . 1 1 70 70 TRP CH2 C 13 124.918 0.300 . 1 . . . . 70 TRP CH2 . 10069 1 889 . 1 1 70 70 TRP N N 15 114.296 0.300 . 1 . . . . 70 TRP N . 10069 1 890 . 1 1 70 70 TRP NE1 N 15 129.935 0.300 . 1 . . . . 70 TRP NE1 . 10069 1 891 . 1 1 71 71 LYS H H 1 5.984 0.030 . 1 . . . . 71 LYS H . 10069 1 892 . 1 1 71 71 LYS HA H 1 3.581 0.030 . 1 . . . . 71 LYS HA . 10069 1 893 . 1 1 71 71 LYS HB2 H 1 1.410 0.030 . 2 . . . . 71 LYS HB2 . 10069 1 894 . 1 1 71 71 LYS HB3 H 1 0.280 0.030 . 2 . . . . 71 LYS HB3 . 10069 1 895 . 1 1 71 71 LYS HG2 H 1 1.060 0.030 . 2 . . . . 71 LYS HG2 . 10069 1 896 . 1 1 71 71 LYS HG3 H 1 0.800 0.030 . 2 . . . . 71 LYS HG3 . 10069 1 897 . 1 1 71 71 LYS HD2 H 1 1.569 0.030 . 2 . . . . 71 LYS HD2 . 10069 1 898 . 1 1 71 71 LYS HD3 H 1 1.422 0.030 . 2 . . . . 71 LYS HD3 . 10069 1 899 . 1 1 71 71 LYS HE2 H 1 2.841 0.030 . 2 . . . . 71 LYS HE2 . 10069 1 900 . 1 1 71 71 LYS HE3 H 1 2.723 0.030 . 2 . . . . 71 LYS HE3 . 10069 1 901 . 1 1 71 71 LYS C C 13 177.564 0.300 . 1 . . . . 71 LYS C . 10069 1 902 . 1 1 71 71 LYS CA C 13 57.585 0.300 . 1 . . . . 71 LYS CA . 10069 1 903 . 1 1 71 71 LYS CB C 13 30.885 0.300 . 1 . . . . 71 LYS CB . 10069 1 904 . 1 1 71 71 LYS CG C 13 24.618 0.300 . 1 . . . . 71 LYS CG . 10069 1 905 . 1 1 71 71 LYS CD C 13 28.319 0.300 . 1 . . . . 71 LYS CD . 10069 1 906 . 1 1 71 71 LYS CE C 13 42.118 0.300 . 1 . . . . 71 LYS CE . 10069 1 907 . 1 1 71 71 LYS N N 15 124.771 0.300 . 1 . . . . 71 LYS N . 10069 1 908 . 1 1 72 72 ARG H H 1 7.879 0.030 . 1 . . . . 72 ARG H . 10069 1 909 . 1 1 72 72 ARG HA H 1 3.424 0.030 . 1 . . . . 72 ARG HA . 10069 1 910 . 1 1 72 72 ARG HB2 H 1 1.766 0.030 . 2 . . . . 72 ARG HB2 . 10069 1 911 . 1 1 72 72 ARG HB3 H 1 1.470 0.030 . 2 . . . . 72 ARG HB3 . 10069 1 912 . 1 1 72 72 ARG HG2 H 1 0.942 0.030 . 2 . . . . 72 ARG HG2 . 10069 1 913 . 1 1 72 72 ARG HG3 H 1 -0.117 0.030 . 2 . . . . 72 ARG HG3 . 10069 1 914 . 1 1 72 72 ARG HD2 H 1 3.040 0.030 . 2 . . . . 72 ARG HD2 . 10069 1 915 . 1 1 72 72 ARG HD3 H 1 2.619 0.030 . 2 . . . . 72 ARG HD3 . 10069 1 916 . 1 1 72 72 ARG HE H 1 6.482 0.030 . 1 . . . . 72 ARG HE . 10069 1 917 . 1 1 72 72 ARG C C 13 178.851 0.300 . 1 . . . . 72 ARG C . 10069 1 918 . 1 1 72 72 ARG CA C 13 60.585 0.300 . 1 . . . . 72 ARG CA . 10069 1 919 . 1 1 72 72 ARG CB C 13 30.750 0.300 . 1 . . . . 72 ARG CB . 10069 1 920 . 1 1 72 72 ARG CG C 13 28.633 0.300 . 1 . . . . 72 ARG CG . 10069 1 921 . 1 1 72 72 ARG CD C 13 44.130 0.300 . 1 . . . . 72 ARG CD . 10069 1 922 . 1 1 72 72 ARG N N 15 119.681 0.300 . 1 . . . . 72 ARG N . 10069 1 923 . 1 1 72 72 ARG NE N 15 84.897 0.300 . 1 . . . . 72 ARG NE . 10069 1 924 . 1 1 73 73 ASN H H 1 8.492 0.030 . 1 . . . . 73 ASN H . 10069 1 925 . 1 1 73 73 ASN HA H 1 4.694 0.030 . 1 . . . . 73 ASN HA . 10069 1 926 . 1 1 73 73 ASN HB2 H 1 2.947 0.030 . 2 . . . . 73 ASN HB2 . 10069 1 927 . 1 1 73 73 ASN HB3 H 1 2.491 0.030 . 2 . . . . 73 ASN HB3 . 10069 1 928 . 1 1 73 73 ASN HD21 H 1 7.817 0.030 . 2 . . . . 73 ASN HD21 . 10069 1 929 . 1 1 73 73 ASN HD22 H 1 7.080 0.030 . 2 . . . . 73 ASN HD22 . 10069 1 930 . 1 1 73 73 ASN C C 13 177.394 0.300 . 1 . . . . 73 ASN C . 10069 1 931 . 1 1 73 73 ASN CA C 13 55.820 0.300 . 1 . . . . 73 ASN CA . 10069 1 932 . 1 1 73 73 ASN CB C 13 37.357 0.300 . 1 . . . . 73 ASN CB . 10069 1 933 . 1 1 73 73 ASN N N 15 116.226 0.300 . 1 . . . . 73 ASN N . 10069 1 934 . 1 1 73 73 ASN ND2 N 15 110.406 0.300 . 1 . . . . 73 ASN ND2 . 10069 1 935 . 1 1 74 74 GLU H H 1 7.953 0.030 . 1 . . . . 74 GLU H . 10069 1 936 . 1 1 74 74 GLU HA H 1 4.032 0.030 . 1 . . . . 74 GLU HA . 10069 1 937 . 1 1 74 74 GLU HB2 H 1 2.298 0.030 . 1 . . . . 74 GLU HB2 . 10069 1 938 . 1 1 74 74 GLU HB3 H 1 2.298 0.030 . 1 . . . . 74 GLU HB3 . 10069 1 939 . 1 1 74 74 GLU HG2 H 1 2.497 0.030 . 2 . . . . 74 GLU HG2 . 10069 1 940 . 1 1 74 74 GLU HG3 H 1 2.337 0.030 . 2 . . . . 74 GLU HG3 . 10069 1 941 . 1 1 74 74 GLU C C 13 179.409 0.300 . 1 . . . . 74 GLU C . 10069 1 942 . 1 1 74 74 GLU CA C 13 60.158 0.300 . 1 . . . . 74 GLU CA . 10069 1 943 . 1 1 74 74 GLU CB C 13 29.929 0.300 . 1 . . . . 74 GLU CB . 10069 1 944 . 1 1 74 74 GLU CG C 13 36.405 0.300 . 1 . . . . 74 GLU CG . 10069 1 945 . 1 1 74 74 GLU N N 15 122.646 0.300 . 1 . . . . 74 GLU N . 10069 1 946 . 1 1 75 75 LEU H H 1 8.486 0.030 . 1 . . . . 75 LEU H . 10069 1 947 . 1 1 75 75 LEU HA H 1 4.245 0.030 . 1 . . . . 75 LEU HA . 10069 1 948 . 1 1 75 75 LEU HB2 H 1 2.350 0.030 . 2 . . . . 75 LEU HB2 . 10069 1 949 . 1 1 75 75 LEU HB3 H 1 1.756 0.030 . 2 . . . . 75 LEU HB3 . 10069 1 950 . 1 1 75 75 LEU HG H 1 1.994 0.030 . 1 . . . . 75 LEU HG . 10069 1 951 . 1 1 75 75 LEU HD11 H 1 1.043 0.030 . 1 . . . . 75 LEU HD1 . 10069 1 952 . 1 1 75 75 LEU HD12 H 1 1.043 0.030 . 1 . . . . 75 LEU HD1 . 10069 1 953 . 1 1 75 75 LEU HD13 H 1 1.043 0.030 . 1 . . . . 75 LEU HD1 . 10069 1 954 . 1 1 75 75 LEU HD21 H 1 0.995 0.030 . 1 . . . . 75 LEU HD2 . 10069 1 955 . 1 1 75 75 LEU HD22 H 1 0.995 0.030 . 1 . . . . 75 LEU HD2 . 10069 1 956 . 1 1 75 75 LEU HD23 H 1 0.995 0.030 . 1 . . . . 75 LEU HD2 . 10069 1 957 . 1 1 75 75 LEU C C 13 180.890 0.300 . 1 . . . . 75 LEU C . 10069 1 958 . 1 1 75 75 LEU CA C 13 58.106 0.300 . 1 . . . . 75 LEU CA . 10069 1 959 . 1 1 75 75 LEU CB C 13 42.124 0.300 . 1 . . . . 75 LEU CB . 10069 1 960 . 1 1 75 75 LEU CG C 13 27.192 0.300 . 1 . . . . 75 LEU CG . 10069 1 961 . 1 1 75 75 LEU CD1 C 13 22.532 0.300 . 2 . . . . 75 LEU CD1 . 10069 1 962 . 1 1 75 75 LEU CD2 C 13 26.576 0.300 . 2 . . . . 75 LEU CD2 . 10069 1 963 . 1 1 75 75 LEU N N 15 119.795 0.300 . 1 . . . . 75 LEU N . 10069 1 964 . 1 1 76 76 LYS H H 1 8.921 0.030 . 1 . . . . 76 LYS H . 10069 1 965 . 1 1 76 76 LYS HA H 1 4.052 0.030 . 1 . . . . 76 LYS HA . 10069 1 966 . 1 1 76 76 LYS HB2 H 1 2.220 0.030 . 2 . . . . 76 LYS HB2 . 10069 1 967 . 1 1 76 76 LYS HB3 H 1 1.822 0.030 . 2 . . . . 76 LYS HB3 . 10069 1 968 . 1 1 76 76 LYS HG2 H 1 2.472 0.030 . 2 . . . . 76 LYS HG2 . 10069 1 969 . 1 1 76 76 LYS HG3 H 1 1.433 0.030 . 2 . . . . 76 LYS HG3 . 10069 1 970 . 1 1 76 76 LYS HD2 H 1 2.075 0.030 . 2 . . . . 76 LYS HD2 . 10069 1 971 . 1 1 76 76 LYS HD3 H 1 1.862 0.030 . 2 . . . . 76 LYS HD3 . 10069 1 972 . 1 1 76 76 LYS HE2 H 1 3.284 0.030 . 2 . . . . 76 LYS HE2 . 10069 1 973 . 1 1 76 76 LYS HE3 H 1 2.981 0.030 . 2 . . . . 76 LYS HE3 . 10069 1 974 . 1 1 76 76 LYS C C 13 178.244 0.300 . 1 . . . . 76 LYS C . 10069 1 975 . 1 1 76 76 LYS CA C 13 61.407 0.300 . 1 . . . . 76 LYS CA . 10069 1 976 . 1 1 76 76 LYS CB C 13 31.655 0.300 . 1 . . . . 76 LYS CB . 10069 1 977 . 1 1 76 76 LYS CG C 13 28.939 0.300 . 1 . . . . 76 LYS CG . 10069 1 978 . 1 1 76 76 LYS CD C 13 28.800 0.300 . 1 . . . . 76 LYS CD . 10069 1 979 . 1 1 76 76 LYS CE C 13 43.120 0.300 . 1 . . . . 76 LYS CE . 10069 1 980 . 1 1 76 76 LYS N N 15 119.354 0.300 . 1 . . . . 76 LYS N . 10069 1 981 . 1 1 77 77 LYS H H 1 8.746 0.030 . 1 . . . . 77 LYS H . 10069 1 982 . 1 1 77 77 LYS HA H 1 4.199 0.030 . 1 . . . . 77 LYS HA . 10069 1 983 . 1 1 77 77 LYS HB2 H 1 1.964 0.030 . 2 . . . . 77 LYS HB2 . 10069 1 984 . 1 1 77 77 LYS HB3 H 1 1.917 0.030 . 2 . . . . 77 LYS HB3 . 10069 1 985 . 1 1 77 77 LYS HG2 H 1 1.286 0.030 . 2 . . . . 77 LYS HG2 . 10069 1 986 . 1 1 77 77 LYS HG3 H 1 1.135 0.030 . 2 . . . . 77 LYS HG3 . 10069 1 987 . 1 1 77 77 LYS HD2 H 1 1.483 0.030 . 2 . . . . 77 LYS HD2 . 10069 1 988 . 1 1 77 77 LYS HD3 H 1 1.411 0.030 . 2 . . . . 77 LYS HD3 . 10069 1 989 . 1 1 77 77 LYS HE2 H 1 2.262 0.030 . 2 . . . . 77 LYS HE2 . 10069 1 990 . 1 1 77 77 LYS HE3 H 1 2.144 0.030 . 2 . . . . 77 LYS HE3 . 10069 1 991 . 1 1 77 77 LYS C C 13 180.599 0.300 . 1 . . . . 77 LYS C . 10069 1 992 . 1 1 77 77 LYS CA C 13 60.564 0.300 . 1 . . . . 77 LYS CA . 10069 1 993 . 1 1 77 77 LYS CB C 13 32.397 0.300 . 1 . . . . 77 LYS CB . 10069 1 994 . 1 1 77 77 LYS CG C 13 26.644 0.300 . 1 . . . . 77 LYS CG . 10069 1 995 . 1 1 77 77 LYS CD C 13 29.703 0.300 . 1 . . . . 77 LYS CD . 10069 1 996 . 1 1 77 77 LYS CE C 13 41.678 0.300 . 1 . . . . 77 LYS CE . 10069 1 997 . 1 1 77 77 LYS N N 15 122.101 0.300 . 1 . . . . 77 LYS N . 10069 1 998 . 1 1 78 78 GLN H H 1 8.008 0.030 . 1 . . . . 78 GLN H . 10069 1 999 . 1 1 78 78 GLN HA H 1 4.102 0.030 . 1 . . . . 78 GLN HA . 10069 1 1000 . 1 1 78 78 GLN HB2 H 1 2.279 0.030 . 1 . . . . 78 GLN HB2 . 10069 1 1001 . 1 1 78 78 GLN HB3 H 1 2.279 0.030 . 1 . . . . 78 GLN HB3 . 10069 1 1002 . 1 1 78 78 GLN HG2 H 1 2.584 0.030 . 2 . . . . 78 GLN HG2 . 10069 1 1003 . 1 1 78 78 GLN HG3 H 1 2.509 0.030 . 2 . . . . 78 GLN HG3 . 10069 1 1004 . 1 1 78 78 GLN HE21 H 1 7.591 0.030 . 2 . . . . 78 GLN HE21 . 10069 1 1005 . 1 1 78 78 GLN HE22 H 1 6.830 0.030 . 2 . . . . 78 GLN HE22 . 10069 1 1006 . 1 1 78 78 GLN C C 13 176.714 0.300 . 1 . . . . 78 GLN C . 10069 1 1007 . 1 1 78 78 GLN CA C 13 58.896 0.300 . 1 . . . . 78 GLN CA . 10069 1 1008 . 1 1 78 78 GLN CB C 13 28.158 0.300 . 1 . . . . 78 GLN CB . 10069 1 1009 . 1 1 78 78 GLN CG C 13 33.860 0.300 . 1 . . . . 78 GLN CG . 10069 1 1010 . 1 1 78 78 GLN N N 15 121.005 0.300 . 1 . . . . 78 GLN N . 10069 1 1011 . 1 1 78 78 GLN NE2 N 15 111.332 0.300 . 1 . . . . 78 GLN NE2 . 10069 1 1012 . 1 1 79 79 ALA H H 1 7.623 0.030 . 1 . . . . 79 ALA H . 10069 1 1013 . 1 1 79 79 ALA HA H 1 4.278 0.030 . 1 . . . . 79 ALA HA . 10069 1 1014 . 1 1 79 79 ALA HB1 H 1 1.118 0.030 . 1 . . . . 79 ALA HB . 10069 1 1015 . 1 1 79 79 ALA HB2 H 1 1.118 0.030 . 1 . . . . 79 ALA HB . 10069 1 1016 . 1 1 79 79 ALA HB3 H 1 1.118 0.030 . 1 . . . . 79 ALA HB . 10069 1 1017 . 1 1 79 79 ALA C C 13 175.913 0.300 . 1 . . . . 79 ALA C . 10069 1 1018 . 1 1 79 79 ALA CA C 13 51.882 0.300 . 1 . . . . 79 ALA CA . 10069 1 1019 . 1 1 79 79 ALA CB C 13 20.181 0.300 . 1 . . . . 79 ALA CB . 10069 1 1020 . 1 1 79 79 ALA N N 15 118.253 0.300 . 1 . . . . 79 ALA N . 10069 1 1021 . 1 1 80 80 ARG H H 1 7.952 0.030 . 1 . . . . 80 ARG H . 10069 1 1022 . 1 1 80 80 ARG HA H 1 4.185 0.030 . 1 . . . . 80 ARG HA . 10069 1 1023 . 1 1 80 80 ARG HB2 H 1 2.408 0.030 . 2 . . . . 80 ARG HB2 . 10069 1 1024 . 1 1 80 80 ARG HB3 H 1 2.131 0.030 . 2 . . . . 80 ARG HB3 . 10069 1 1025 . 1 1 80 80 ARG HG2 H 1 1.738 0.030 . 2 . . . . 80 ARG HG2 . 10069 1 1026 . 1 1 80 80 ARG HG3 H 1 1.615 0.030 . 2 . . . . 80 ARG HG3 . 10069 1 1027 . 1 1 80 80 ARG HD2 H 1 3.284 0.030 . 2 . . . . 80 ARG HD2 . 10069 1 1028 . 1 1 80 80 ARG HD3 H 1 3.173 0.030 . 2 . . . . 80 ARG HD3 . 10069 1 1029 . 1 1 80 80 ARG HE H 1 7.007 0.030 . 1 . . . . 80 ARG HE . 10069 1 1030 . 1 1 80 80 ARG C C 13 173.801 0.300 . 1 . . . . 80 ARG C . 10069 1 1031 . 1 1 80 80 ARG CA C 13 58.088 0.300 . 1 . . . . 80 ARG CA . 10069 1 1032 . 1 1 80 80 ARG CB C 13 26.375 0.300 . 1 . . . . 80 ARG CB . 10069 1 1033 . 1 1 80 80 ARG CG C 13 27.455 0.300 . 1 . . . . 80 ARG CG . 10069 1 1034 . 1 1 80 80 ARG CD C 13 43.997 0.300 . 1 . . . . 80 ARG CD . 10069 1 1035 . 1 1 80 80 ARG N N 15 114.443 0.300 . 1 . . . . 80 ARG N . 10069 1 1036 . 1 1 80 80 ARG NE N 15 85.599 0.300 . 1 . . . . 80 ARG NE . 10069 1 1037 . 1 1 81 81 LEU H H 1 8.451 0.030 . 1 . . . . 81 LEU H . 10069 1 1038 . 1 1 81 81 LEU HA H 1 4.899 0.030 . 1 . . . . 81 LEU HA . 10069 1 1039 . 1 1 81 81 LEU HB2 H 1 2.125 0.030 . 2 . . . . 81 LEU HB2 . 10069 1 1040 . 1 1 81 81 LEU HB3 H 1 1.425 0.030 . 2 . . . . 81 LEU HB3 . 10069 1 1041 . 1 1 81 81 LEU HG H 1 1.904 0.030 . 1 . . . . 81 LEU HG . 10069 1 1042 . 1 1 81 81 LEU HD11 H 1 0.973 0.030 . 1 . . . . 81 LEU HD1 . 10069 1 1043 . 1 1 81 81 LEU HD12 H 1 0.973 0.030 . 1 . . . . 81 LEU HD1 . 10069 1 1044 . 1 1 81 81 LEU HD13 H 1 0.973 0.030 . 1 . . . . 81 LEU HD1 . 10069 1 1045 . 1 1 81 81 LEU HD21 H 1 1.015 0.030 . 1 . . . . 81 LEU HD2 . 10069 1 1046 . 1 1 81 81 LEU HD22 H 1 1.015 0.030 . 1 . . . . 81 LEU HD2 . 10069 1 1047 . 1 1 81 81 LEU HD23 H 1 1.015 0.030 . 1 . . . . 81 LEU HD2 . 10069 1 1048 . 1 1 81 81 LEU C C 13 174.578 0.300 . 1 . . . . 81 LEU C . 10069 1 1049 . 1 1 81 81 LEU CA C 13 53.035 0.300 . 1 . . . . 81 LEU CA . 10069 1 1050 . 1 1 81 81 LEU CB C 13 44.307 0.300 . 1 . . . . 81 LEU CB . 10069 1 1051 . 1 1 81 81 LEU CG C 13 25.872 0.300 . 1 . . . . 81 LEU CG . 10069 1 1052 . 1 1 81 81 LEU CD1 C 13 23.496 0.300 . 2 . . . . 81 LEU CD1 . 10069 1 1053 . 1 1 81 81 LEU CD2 C 13 27.351 0.300 . 2 . . . . 81 LEU CD2 . 10069 1 1054 . 1 1 81 81 LEU N N 15 113.543 0.300 . 1 . . . . 81 LEU N . 10069 1 1055 . 1 1 82 82 PHE H H 1 7.867 0.030 . 1 . . . . 82 PHE H . 10069 1 1056 . 1 1 82 82 PHE HA H 1 4.685 0.030 . 1 . . . . 82 PHE HA . 10069 1 1057 . 1 1 82 82 PHE HB2 H 1 3.118 0.030 . 2 . . . . 82 PHE HB2 . 10069 1 1058 . 1 1 82 82 PHE HB3 H 1 2.691 0.030 . 2 . . . . 82 PHE HB3 . 10069 1 1059 . 1 1 82 82 PHE HD1 H 1 7.181 0.030 . 1 . . . . 82 PHE HD1 . 10069 1 1060 . 1 1 82 82 PHE HD2 H 1 7.181 0.030 . 1 . . . . 82 PHE HD2 . 10069 1 1061 . 1 1 82 82 PHE HE1 H 1 7.365 0.030 . 1 . . . . 82 PHE HE1 . 10069 1 1062 . 1 1 82 82 PHE HE2 H 1 7.365 0.030 . 1 . . . . 82 PHE HE2 . 10069 1 1063 . 1 1 82 82 PHE HZ H 1 7.398 0.030 . 1 . . . . 82 PHE HZ . 10069 1 1064 . 1 1 82 82 PHE C C 13 173.947 0.300 . 1 . . . . 82 PHE C . 10069 1 1065 . 1 1 82 82 PHE CA C 13 57.671 0.300 . 1 . . . . 82 PHE CA . 10069 1 1066 . 1 1 82 82 PHE CB C 13 41.581 0.300 . 1 . . . . 82 PHE CB . 10069 1 1067 . 1 1 82 82 PHE CD1 C 13 131.925 0.300 . 1 . . . . 82 PHE CD1 . 10069 1 1068 . 1 1 82 82 PHE CD2 C 13 131.925 0.300 . 1 . . . . 82 PHE CD2 . 10069 1 1069 . 1 1 82 82 PHE CE1 C 13 131.771 0.300 . 1 . . . . 82 PHE CE1 . 10069 1 1070 . 1 1 82 82 PHE CE2 C 13 131.771 0.300 . 1 . . . . 82 PHE CE2 . 10069 1 1071 . 1 1 82 82 PHE CZ C 13 130.602 0.300 . 1 . . . . 82 PHE CZ . 10069 1 1072 . 1 1 82 82 PHE N N 15 121.278 0.300 . 1 . . . . 82 PHE N . 10069 1 1073 . 1 1 83 83 SER H H 1 8.150 0.030 . 1 . . . . 83 SER H . 10069 1 1074 . 1 1 83 83 SER HA H 1 4.393 0.030 . 1 . . . . 83 SER HA . 10069 1 1075 . 1 1 83 83 SER HB2 H 1 3.709 0.030 . 2 . . . . 83 SER HB2 . 10069 1 1076 . 1 1 83 83 SER HB3 H 1 3.646 0.030 . 2 . . . . 83 SER HB3 . 10069 1 1077 . 1 1 83 83 SER C C 13 172.879 0.300 . 1 . . . . 83 SER C . 10069 1 1078 . 1 1 83 83 SER CA C 13 57.522 0.300 . 1 . . . . 83 SER CA . 10069 1 1079 . 1 1 83 83 SER CB C 13 64.145 0.300 . 1 . . . . 83 SER CB . 10069 1 1080 . 1 1 83 83 SER N N 15 122.918 0.300 . 1 . . . . 83 SER N . 10069 1 1081 . 1 1 84 84 GLY H H 1 7.496 0.030 . 1 . . . . 84 GLY H . 10069 1 1082 . 1 1 84 84 GLY HA2 H 1 4.006 0.030 . 1 . . . . 84 GLY HA2 . 10069 1 1083 . 1 1 84 84 GLY HA3 H 1 4.006 0.030 . 1 . . . . 84 GLY HA3 . 10069 1 1084 . 1 1 84 84 GLY C C 13 171.131 0.300 . 1 . . . . 84 GLY C . 10069 1 1085 . 1 1 84 84 GLY CA C 13 44.639 0.300 . 1 . . . . 84 GLY CA . 10069 1 1086 . 1 1 84 84 GLY N N 15 111.015 0.300 . 1 . . . . 84 GLY N . 10069 1 1087 . 1 1 85 85 PRO HA H 1 4.495 0.030 . 1 . . . . 85 PRO HA . 10069 1 1088 . 1 1 85 85 PRO HB2 H 1 2.348 0.030 . 2 . . . . 85 PRO HB2 . 10069 1 1089 . 1 1 85 85 PRO HB3 H 1 2.049 0.030 . 2 . . . . 85 PRO HB3 . 10069 1 1090 . 1 1 85 85 PRO HG2 H 1 2.082 0.030 . 1 . . . . 85 PRO HG2 . 10069 1 1091 . 1 1 85 85 PRO HG3 H 1 2.082 0.030 . 1 . . . . 85 PRO HG3 . 10069 1 1092 . 1 1 85 85 PRO HD2 H 1 3.691 0.030 . 2 . . . . 85 PRO HD2 . 10069 1 1093 . 1 1 85 85 PRO HD3 H 1 3.638 0.030 . 2 . . . . 85 PRO HD3 . 10069 1 1094 . 1 1 85 85 PRO C C 13 176.957 0.300 . 1 . . . . 85 PRO C . 10069 1 1095 . 1 1 85 85 PRO CA C 13 63.354 0.300 . 1 . . . . 85 PRO CA . 10069 1 1096 . 1 1 85 85 PRO CB C 13 32.292 0.300 . 1 . . . . 85 PRO CB . 10069 1 1097 . 1 1 85 85 PRO CG C 13 27.200 0.300 . 1 . . . . 85 PRO CG . 10069 1 1098 . 1 1 85 85 PRO CD C 13 49.787 0.300 . 1 . . . . 85 PRO CD . 10069 1 1099 . 1 1 86 86 SER H H 1 8.546 0.030 . 1 . . . . 86 SER H . 10069 1 1100 . 1 1 86 86 SER HA H 1 4.530 0.030 . 1 . . . . 86 SER HA . 10069 1 1101 . 1 1 86 86 SER HB2 H 1 3.961 0.030 . 2 . . . . 86 SER HB2 . 10069 1 1102 . 1 1 86 86 SER HB3 H 1 3.912 0.030 . 2 . . . . 86 SER HB3 . 10069 1 1103 . 1 1 86 86 SER C C 13 174.190 0.300 . 1 . . . . 86 SER C . 10069 1 1104 . 1 1 86 86 SER CA C 13 58.578 0.300 . 1 . . . . 86 SER CA . 10069 1 1105 . 1 1 86 86 SER CB C 13 63.967 0.300 . 1 . . . . 86 SER CB . 10069 1 1106 . 1 1 86 86 SER N N 15 116.133 0.300 . 1 . . . . 86 SER N . 10069 1 1107 . 1 1 87 87 SER H H 1 8.309 0.030 . 1 . . . . 87 SER H . 10069 1 1108 . 1 1 87 87 SER HA H 1 4.530 0.030 . 1 . . . . 87 SER HA . 10069 1 1109 . 1 1 87 87 SER HB2 H 1 3.892 0.030 . 1 . . . . 87 SER HB2 . 10069 1 1110 . 1 1 87 87 SER HB3 H 1 3.892 0.030 . 1 . . . . 87 SER HB3 . 10069 1 1111 . 1 1 87 87 SER C C 13 173.510 0.300 . 1 . . . . 87 SER C . 10069 1 1112 . 1 1 87 87 SER CA C 13 58.589 0.300 . 1 . . . . 87 SER CA . 10069 1 1113 . 1 1 87 87 SER CB C 13 63.968 0.300 . 1 . . . . 87 SER CB . 10069 1 1114 . 1 1 87 87 SER N N 15 117.604 0.300 . 1 . . . . 87 SER N . 10069 1 1115 . 1 1 88 88 GLY H H 1 8.063 0.030 . 1 . . . . 88 GLY H . 10069 1 1116 . 1 1 88 88 GLY HA2 H 1 3.836 0.030 . 2 . . . . 88 GLY HA2 . 10069 1 1117 . 1 1 88 88 GLY HA3 H 1 3.783 0.030 . 2 . . . . 88 GLY HA3 . 10069 1 1118 . 1 1 88 88 GLY C C 13 178.560 0.300 . 1 . . . . 88 GLY C . 10069 1 1119 . 1 1 88 88 GLY CA C 13 46.293 0.300 . 1 . . . . 88 GLY CA . 10069 1 1120 . 1 1 88 88 GLY N N 15 116.787 0.300 . 1 . . . . 88 GLY N . 10069 1 stop_ save_