data_7174 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7174 _Entry.Title ; Chemical Shift Assignments for Hdm2 RING finger domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-19 _Entry.Accession_date 2006-06-19 _Entry.Last_release_date 2006-10-30 _Entry.Original_release_date 2006-10-30 _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 Milka Kostic . . . 7174 2 Theresia Matt . . . 7174 3 Maria Martinez-Yamout . . . 7174 4 H. Dyson . Jane . 7174 5 Peter Wright . E. . 7174 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . TSRI . 7174 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7174 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 97 7174 '15N chemical shifts' 65 7174 '1H chemical shifts' 403 7174 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 . . 2006-10-30 2006-06-19 original author . 7174 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7174 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16965791 _Citation.Full_citation . _Citation.Title 'Solution Structure of Hdm2 C2H2C4 RING, a Domain Critical for Ubiquitination of p53' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 363 _Citation.Journal_issue 2 _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 433 _Citation.Page_last 450 _Citation.Year 2006 _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 Milka Kostic . . . 7174 1 2 Theresia Matt . . . 7174 1 3 Maria Martinez-Yamout . . . 7174 1 4 H. Dyson . Jane . 7174 1 5 Peter Wright . E. . 7174 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Hdm2 7174 1 'RING domain' 7174 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7174 _Assembly.ID 1 _Assembly.Name 'Hdm2 RING finger domain' _Assembly.BMRB_code . _Assembly.Number_of_components 6 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 4 _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 'free and other bound' _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 7174 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 'Hdm2 RING finger domain' 1 $Hdm2_RING_finger_domain . . yes native no no . . . 7174 1 2 'ZINC (II) ION, 1' 2 $ZN . . yes native no no diamagnetic 'structural zinc' . 7174 1 3 'ZINC (II) ION, 2' 2 $ZN . . yes native no no diamagnetic 'structural zinc' . 7174 1 4 'Hdm2 RING finger domain' 1 $Hdm2_RING_finger_domain . . yes native no no . . . 7174 1 5 'ZINC (II) ION, 1' 2 $ZN . . yes native no no diamagnetic 'structural zinc' . 7174 1 6 'ZINC (II) ION, 2' 2 $ZN . . yes native no no diamagnetic 'structural zinc' . 7174 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination SING . 1 . 1 CYS 10 10 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 2 coordination SING . 1 . 1 CYS 13 13 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 3 coordination SING . 1 . 1 CYS 33 33 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 4 coordination SING . 1 . 1 CYS 36 36 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 5 coordination SING . 1 . 1 CYS 47 47 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 6 coordination SING . 1 . 1 CYS 50 50 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 7 coordination SING . 1 . 1 HIS 24 24 NE2 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 8 coordination SING . 1 . 1 HIS 29 29 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 9 coordination SING . 4 . 1 CYS 10 10 SG . 5 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 10 coordination SING . 4 . 1 CYS 13 13 SG . 5 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 11 coordination SING . 4 . 1 CYS 33 33 SG . 5 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 12 coordination SING . 4 . 1 CYS 36 36 SG . 5 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 13 coordination SING . 4 . 1 CYS 47 47 SG . 6 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 14 coordination SING . 4 . 1 CYS 50 50 SG . 6 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 15 coordination SING . 4 . 1 HIS 24 24 NE2 . 6 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 16 coordination SING . 4 . 1 HIS 29 29 ND1 . 6 . 2 ZN 1 1 ZN . . . . . . . . . . 7174 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hdm2_RING_finger_domain _Entity.Sf_category entity _Entity.Sf_framecode Hdm2_RING_finger_domain _Entity.Entry_ID 7174 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hdm2 RING finger' _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 ; SLPLNAIEPCVICQGRPKNG CIVHGKTGHLMACFTCAKKL KKRNKPCPVCRQPIQMIVLT YFP ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _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 . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'E3 ubiquitin ligase' 7174 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 1 429 SER . 7174 1 2 430 LEU . 7174 1 3 431 PRO . 7174 1 4 432 LEU . 7174 1 5 433 ASN . 7174 1 6 434 ALA . 7174 1 7 435 ILE . 7174 1 8 436 GLU . 7174 1 9 437 PRO . 7174 1 10 438 CYS . 7174 1 11 439 VAL . 7174 1 12 440 ILE . 7174 1 13 441 CYS . 7174 1 14 442 GLN . 7174 1 15 443 GLY . 7174 1 16 444 ARG . 7174 1 17 445 PRO . 7174 1 18 446 LYS . 7174 1 19 447 ASN . 7174 1 20 448 GLY . 7174 1 21 449 CYS . 7174 1 22 450 ILE . 7174 1 23 451 VAL . 7174 1 24 452 HIS . 7174 1 25 453 GLY . 7174 1 26 454 LYS . 7174 1 27 455 THR . 7174 1 28 456 GLY . 7174 1 29 457 HIS . 7174 1 30 458 LEU . 7174 1 31 459 MET . 7174 1 32 460 ALA . 7174 1 33 461 CYS . 7174 1 34 462 PHE . 7174 1 35 463 THR . 7174 1 36 464 CYS . 7174 1 37 465 ALA . 7174 1 38 466 LYS . 7174 1 39 467 LYS . 7174 1 40 468 LEU . 7174 1 41 469 LYS . 7174 1 42 470 LYS . 7174 1 43 471 ARG . 7174 1 44 472 ASN . 7174 1 45 473 LYS . 7174 1 46 474 PRO . 7174 1 47 475 CYS . 7174 1 48 476 PRO . 7174 1 49 477 VAL . 7174 1 50 478 CYS . 7174 1 51 479 ARG . 7174 1 52 480 GLN . 7174 1 53 481 PRO . 7174 1 54 482 ILE . 7174 1 55 483 GLN . 7174 1 56 484 MET . 7174 1 57 485 ILE . 7174 1 58 486 VAL . 7174 1 59 487 LEU . 7174 1 60 488 THR . 7174 1 61 489 TYR . 7174 1 62 490 PHE . 7174 1 63 491 PRO . 7174 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 . SER 1 1 7174 1 . LEU 2 2 7174 1 . PRO 3 3 7174 1 . LEU 4 4 7174 1 . ASN 5 5 7174 1 . ALA 6 6 7174 1 . ILE 7 7 7174 1 . GLU 8 8 7174 1 . PRO 9 9 7174 1 . CYS 10 10 7174 1 . VAL 11 11 7174 1 . ILE 12 12 7174 1 . CYS 13 13 7174 1 . GLN 14 14 7174 1 . GLY 15 15 7174 1 . ARG 16 16 7174 1 . PRO 17 17 7174 1 . LYS 18 18 7174 1 . ASN 19 19 7174 1 . GLY 20 20 7174 1 . CYS 21 21 7174 1 . ILE 22 22 7174 1 . VAL 23 23 7174 1 . HIS 24 24 7174 1 . GLY 25 25 7174 1 . LYS 26 26 7174 1 . THR 27 27 7174 1 . GLY 28 28 7174 1 . HIS 29 29 7174 1 . LEU 30 30 7174 1 . MET 31 31 7174 1 . ALA 32 32 7174 1 . CYS 33 33 7174 1 . PHE 34 34 7174 1 . THR 35 35 7174 1 . CYS 36 36 7174 1 . ALA 37 37 7174 1 . LYS 38 38 7174 1 . LYS 39 39 7174 1 . LEU 40 40 7174 1 . LYS 41 41 7174 1 . LYS 42 42 7174 1 . ARG 43 43 7174 1 . ASN 44 44 7174 1 . LYS 45 45 7174 1 . PRO 46 46 7174 1 . CYS 47 47 7174 1 . PRO 48 48 7174 1 . VAL 49 49 7174 1 . CYS 50 50 7174 1 . ARG 51 51 7174 1 . GLN 52 52 7174 1 . PRO 53 53 7174 1 . ILE 54 54 7174 1 . GLN 55 55 7174 1 . MET 56 56 7174 1 . ILE 57 57 7174 1 . VAL 58 58 7174 1 . LEU 59 59 7174 1 . THR 60 60 7174 1 . TYR 61 61 7174 1 . PHE 62 62 7174 1 . PRO 63 63 7174 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 7174 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ZN . 7174 2 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 7174 _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 $Hdm2_RING_finger_domain . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7174 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 7174 _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 $Hdm2_RING_finger_domain . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7174 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 7174 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 3 17:11:16 2012 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 7174 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 7174 ZN [Zn++] SMILES CACTVS 3.341 7174 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 7174 ZN [Zn+2] SMILES ACDLabs 10.04 7174 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 7174 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 7174 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 7174 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 7174 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 7174 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7174 _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 'Hdm2 RING finger' '[U-13C; U-15N]' . . 1 $Hdm2_RING_finger_domain . . . 0.08 0.15 mM 1 . . . 7174 1 2 NaCl . . . . . . . 150 . . mM 5 . . . 7174 1 3 'additive arginine' . . . . . . . 250 . . mM 5 . . . 7174 1 4 'additive TCEP' . . . . . . . 0.5 . . mM . . . . 7174 1 5 'additive ZnSO4' . . . . . . . 0.005 . . mM . . . . 7174 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7174 _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 pH 7.1 0.1 pH 7174 1 temperature 298 0.5 K 7174 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500_MHz _NMR_spectrometer.Entry_ID 7174 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_800_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800_MHz _NMR_spectrometer.Entry_ID 7174 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 7174 _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 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 7174 1 2 1H13C_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 7174 1 3 1H15N_3D_NOESY_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 7174 1 4 1H15N_3D_TOCSY_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 7174 1 5 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 7174 1 6 1H15N_HMQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 7174 1 7 2D_1H_NOESY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 7174 1 8 2D_1H_TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $500_MHz . . . . . . . . . . . . . . . . 7174 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7174 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 . . . . . . . . . 7174 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7174 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7174 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7174 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 1H15N_HSQC 1 $sample_1 isotropic 7174 1 2 1H13C_HSQC 1 $sample_1 isotropic 7174 1 3 1H15N_3D_NOESY_HSQC 1 $sample_1 isotropic 7174 1 4 1H15N_3D_TOCSY_HSQC 1 $sample_1 isotropic 7174 1 5 HNCA 1 $sample_1 isotropic 7174 1 6 1H15N_HMQC 1 $sample_1 isotropic 7174 1 7 2D_1H_NOESY 1 $sample_1 isotropic 7174 1 8 2D_1H_TOCSY 1 $sample_1 isotropic 7174 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 1 1 SER HA H 1 4.580 0.02 . 1 . . . . 429 SER HA . 7174 1 2 . 1 1 2 2 LEU H H 1 8.060 0.02 . 1 . . . . 430 LEU H . 7174 1 3 . 1 1 2 2 LEU HA H 1 4.250 0.02 . 1 . . . . 430 LEU HA . 7174 1 4 . 1 1 2 2 LEU CA C 13 52.550 0.15 . 1 . . . . 430 LEU CA . 7174 1 5 . 1 1 2 2 LEU N N 15 123.859 0.12 . 1 . . . . 430 LEU N . 7174 1 6 . 1 1 3 3 PRO HA H 1 4.440 0.02 . 1 . . . . 431 PRO HA . 7174 1 7 . 1 1 3 3 PRO HB2 H 1 2.015 0.02 . 1 . . . . 431 PRO HB2 . 7174 1 8 . 1 1 3 3 PRO HB3 H 1 2.015 0.02 . 1 . . . . 431 PRO HB3 . 7174 1 9 . 1 1 3 3 PRO HG2 H 1 1.893 0.02 . 1 . . . . 431 PRO HG2 . 7174 1 10 . 1 1 3 3 PRO HG3 H 1 1.893 0.02 . 1 . . . . 431 PRO HG3 . 7174 1 11 . 1 1 3 3 PRO CA C 13 62.975 0.15 . 1 . . . . 431 PRO CA . 7174 1 12 . 1 1 4 4 LEU H H 1 8.060 0.02 . 1 . . . . 432 LEU H . 7174 1 13 . 1 1 4 4 LEU HA H 1 3.946 0.02 . 1 . . . . 432 LEU HA . 7174 1 14 . 1 1 4 4 LEU HB2 H 1 1.560 0.02 . 1 . . . . 432 LEU HB2 . 7174 1 15 . 1 1 4 4 LEU HB3 H 1 1.560 0.02 . 1 . . . . 432 LEU HB3 . 7174 1 16 . 1 1 4 4 LEU HG H 1 1.437 0.02 . 1 . . . . 432 LEU HG . 7174 1 17 . 1 1 4 4 LEU HD11 H 1 0.769 0.02 . 2 . . . . 432 LEU QD1 . 7174 1 18 . 1 1 4 4 LEU HD12 H 1 0.769 0.02 . 2 . . . . 432 LEU QD1 . 7174 1 19 . 1 1 4 4 LEU HD13 H 1 0.769 0.02 . 2 . . . . 432 LEU QD1 . 7174 1 20 . 1 1 4 4 LEU HD21 H 1 0.840 0.02 . 2 . . . . 432 LEU QD2 . 7174 1 21 . 1 1 4 4 LEU HD22 H 1 0.840 0.02 . 2 . . . . 432 LEU QD2 . 7174 1 22 . 1 1 4 4 LEU HD23 H 1 0.840 0.02 . 2 . . . . 432 LEU QD2 . 7174 1 23 . 1 1 4 4 LEU CA C 13 56.355 0.15 . 1 . . . . 432 LEU CA . 7174 1 24 . 1 1 4 4 LEU CB C 13 42.182 0.15 . 1 . . . . 432 LEU CB . 7174 1 25 . 1 1 4 4 LEU N N 15 121.546 0.12 . 1 . . . . 432 LEU N . 7174 1 26 . 1 1 5 5 ASN H H 1 8.340 0.02 . 1 . . . . 433 ASN H . 7174 1 27 . 1 1 5 5 ASN HA H 1 4.286 0.02 . 1 . . . . 433 ASN HA . 7174 1 28 . 1 1 5 5 ASN HB2 H 1 2.613 0.02 . 2 . . . . 433 ASN HB2 . 7174 1 29 . 1 1 5 5 ASN HB3 H 1 2.749 0.02 . 2 . . . . 433 ASN HB3 . 7174 1 30 . 1 1 5 5 ASN HD21 H 1 7.485 0.02 . 2 . . . . 433 ASN HD21 . 7174 1 31 . 1 1 5 5 ASN HD22 H 1 6.789 0.02 . 2 . . . . 433 ASN HD22 . 7174 1 32 . 1 1 5 5 ASN CA C 13 54.770 0.15 . 1 . . . . 433 ASN CA . 7174 1 33 . 1 1 5 5 ASN CB C 13 38.800 0.15 . 1 . . . . 433 ASN CB . 7174 1 34 . 1 1 5 5 ASN N N 15 116.662 0.12 . 1 . . . . 433 ASN N . 7174 1 35 . 1 1 5 5 ASN ND2 N 15 112.635 0.12 . 1 . . . . 433 ASN ND2 . 7174 1 36 . 1 1 6 6 ALA H H 1 8.300 0.02 . 1 . . . . 434 ALA H . 7174 1 37 . 1 1 6 6 ALA HA H 1 3.790 0.02 . 1 . . . . 434 ALA HA . 7174 1 38 . 1 1 6 6 ALA HB1 H 1 1.280 0.02 . 1 . . . . 434 ALA QB . 7174 1 39 . 1 1 6 6 ALA HB2 H 1 1.280 0.02 . 1 . . . . 434 ALA QB . 7174 1 40 . 1 1 6 6 ALA HB3 H 1 1.280 0.02 . 1 . . . . 434 ALA QB . 7174 1 41 . 1 1 6 6 ALA CA C 13 54.770 0.15 . 1 . . . . 434 ALA CA . 7174 1 42 . 1 1 6 6 ALA CB C 13 19.280 0.15 . 1 . . . . 434 ALA CB . 7174 1 43 . 1 1 6 6 ALA N N 15 122.880 0.12 . 1 . . . . 434 ALA N . 7174 1 44 . 1 1 7 7 ILE H H 1 6.860 0.02 . 1 . . . . 435 ILE H . 7174 1 45 . 1 1 7 7 ILE HA H 1 4.095 0.02 . 1 . . . . 435 ILE HA . 7174 1 46 . 1 1 7 7 ILE HB H 1 2.016 0.02 . 1 . . . . 435 ILE HB . 7174 1 47 . 1 1 7 7 ILE HG12 H 1 1.129 0.02 . 2 . . . . 435 ILE HG12 . 7174 1 48 . 1 1 7 7 ILE HG13 H 1 1.205 0.02 . 2 . . . . 435 ILE HG13 . 7174 1 49 . 1 1 7 7 ILE HG21 H 1 0.723 0.02 . 1 . . . . 435 ILE QG2 . 7174 1 50 . 1 1 7 7 ILE HG22 H 1 0.723 0.02 . 1 . . . . 435 ILE QG2 . 7174 1 51 . 1 1 7 7 ILE HG23 H 1 0.723 0.02 . 1 . . . . 435 ILE QG2 . 7174 1 52 . 1 1 7 7 ILE HD11 H 1 0.640 0.02 . 1 . . . . 435 ILE QD1 . 7174 1 53 . 1 1 7 7 ILE HD12 H 1 0.640 0.02 . 1 . . . . 435 ILE QD1 . 7174 1 54 . 1 1 7 7 ILE HD13 H 1 0.640 0.02 . 1 . . . . 435 ILE QD1 . 7174 1 55 . 1 1 7 7 ILE CA C 13 60.551 0.15 . 1 . . . . 435 ILE CA . 7174 1 56 . 1 1 7 7 ILE CB C 13 38.043 0.15 . 1 . . . . 435 ILE CB . 7174 1 57 . 1 1 7 7 ILE N N 15 107.152 0.12 . 1 . . . . 435 ILE N . 7174 1 58 . 1 1 8 8 GLU H H 1 7.000 0.02 . 1 . . . . 436 GLU H . 7174 1 59 . 1 1 8 8 GLU HA H 1 4.411 0.02 . 1 . . . . 436 GLU HA . 7174 1 60 . 1 1 8 8 GLU HB2 H 1 1.565 0.02 . 2 . . . . 436 GLU HB2 . 7174 1 61 . 1 1 8 8 GLU HB3 H 1 2.094 0.02 . 2 . . . . 436 GLU HB3 . 7174 1 62 . 1 1 8 8 GLU HG2 H 1 2.336 0.02 . 2 . . . . 436 GLU HG2 . 7174 1 63 . 1 1 8 8 GLU HG3 H 1 2.205 0.02 . 2 . . . . 436 GLU HG3 . 7174 1 64 . 1 1 8 8 GLU CA C 13 54.024 0.15 . 1 . . . . 436 GLU CA . 7174 1 65 . 1 1 8 8 GLU CG C 13 35.986 0.15 . 1 . . . . 436 GLU CG . 7174 1 66 . 1 1 8 8 GLU N N 15 122.574 0.12 . 1 . . . . 436 GLU N . 7174 1 67 . 1 1 9 9 PRO HA H 1 4.214 0.02 . 1 . . . . 437 PRO HA . 7174 1 68 . 1 1 9 9 PRO HG2 H 1 1.910 0.02 . 1 . . . . 437 PRO HG2 . 7174 1 69 . 1 1 9 9 PRO HG3 H 1 1.910 0.02 . 1 . . . . 437 PRO HG3 . 7174 1 70 . 1 1 9 9 PRO CA C 13 62.369 0.15 . 1 . . . . 437 PRO CA . 7174 1 71 . 1 1 10 10 CYS H H 1 8.590 0.02 . 1 . . . . 438 CYS H . 7174 1 72 . 1 1 10 10 CYS HA H 1 3.890 0.02 . 1 . . . . 438 CYS HA . 7174 1 73 . 1 1 10 10 CYS HB2 H 1 3.230 0.02 . 2 . . . . 438 CYS HB2 . 7174 1 74 . 1 1 10 10 CYS HB3 H 1 2.800 0.02 . 2 . . . . 438 CYS HB3 . 7174 1 75 . 1 1 10 10 CYS CA C 13 59.619 0.15 . 1 . . . . 438 CYS CA . 7174 1 76 . 1 1 10 10 CYS CB C 13 32.564 0.15 . 1 . . . . 438 CYS CB . 7174 1 77 . 1 1 10 10 CYS N N 15 118.590 0.12 . 1 . . . . 438 CYS N . 7174 1 78 . 1 1 11 11 VAL H H 1 8.180 0.02 . 1 . . . . 439 VAL H . 7174 1 79 . 1 1 11 11 VAL HA H 1 4.140 0.02 . 1 . . . . 439 VAL HA . 7174 1 80 . 1 1 11 11 VAL HB H 1 2.340 0.02 . 1 . . . . 439 VAL HB . 7174 1 81 . 1 1 11 11 VAL HG11 H 1 0.734 0.02 . 2 . . . . 439 VAL QG1 . 7174 1 82 . 1 1 11 11 VAL HG12 H 1 0.734 0.02 . 2 . . . . 439 VAL QG1 . 7174 1 83 . 1 1 11 11 VAL HG13 H 1 0.734 0.02 . 2 . . . . 439 VAL QG1 . 7174 1 84 . 1 1 11 11 VAL HG21 H 1 0.932 0.02 . 2 . . . . 439 VAL QG2 . 7174 1 85 . 1 1 11 11 VAL HG22 H 1 0.932 0.02 . 2 . . . . 439 VAL QG2 . 7174 1 86 . 1 1 11 11 VAL HG23 H 1 0.932 0.02 . 2 . . . . 439 VAL QG2 . 7174 1 87 . 1 1 11 11 VAL CA C 13 63.768 0.15 . 1 . . . . 439 VAL CA . 7174 1 88 . 1 1 11 11 VAL CB C 13 32.205 0.15 . 1 . . . . 439 VAL CB . 7174 1 89 . 1 1 11 11 VAL N N 15 123.390 0.12 . 1 . . . . 439 VAL N . 7174 1 90 . 1 1 12 12 ILE H H 1 9.160 0.02 . 1 . . . . 440 ILE H . 7174 1 91 . 1 1 12 12 ILE HA H 1 4.000 0.02 . 1 . . . . 440 ILE HA . 7174 1 92 . 1 1 12 12 ILE HB H 1 2.170 0.02 . 1 . . . . 440 ILE HB . 7174 1 93 . 1 1 12 12 ILE HG12 H 1 1.505 0.02 . 2 . . . . 440 ILE HG12 . 7174 1 94 . 1 1 12 12 ILE HG13 H 1 1.074 0.02 . 2 . . . . 440 ILE HG13 . 7174 1 95 . 1 1 12 12 ILE HD11 H 1 0.910 0.02 . 1 . . . . 440 ILE QD1 . 7174 1 96 . 1 1 12 12 ILE HD12 H 1 0.910 0.02 . 1 . . . . 440 ILE QD1 . 7174 1 97 . 1 1 12 12 ILE HD13 H 1 0.910 0.02 . 1 . . . . 440 ILE QD1 . 7174 1 98 . 1 1 12 12 ILE CA C 13 64.234 0.15 . 1 . . . . 440 ILE CA . 7174 1 99 . 1 1 12 12 ILE CB C 13 38.920 0.15 . 1 . . . . 440 ILE CB . 7174 1 100 . 1 1 12 12 ILE N N 15 124.690 0.12 . 1 . . . . 440 ILE N . 7174 1 101 . 1 1 13 13 CYS H H 1 8.730 0.02 . 1 . . . . 441 CYS H . 7174 1 102 . 1 1 13 13 CYS HA H 1 4.238 0.02 . 1 . . . . 441 CYS HA . 7174 1 103 . 1 1 13 13 CYS HB2 H 1 2.651 0.02 . 2 . . . . 441 CYS HB2 . 7174 1 104 . 1 1 13 13 CYS HB3 H 1 3.060 0.02 . 2 . . . . 441 CYS HB3 . 7174 1 105 . 1 1 13 13 CYS CA C 13 58.966 0.15 . 1 . . . . 441 CYS CA . 7174 1 106 . 1 1 13 13 CYS CB C 13 32.624 0.15 . 1 . . . . 441 CYS CB . 7174 1 107 . 1 1 13 13 CYS N N 15 119.580 0.12 . 1 . . . . 441 CYS N . 7174 1 108 . 1 1 14 14 GLN H H 1 7.964 0.02 . 1 . . . . 442 GLN H . 7174 1 109 . 1 1 14 14 GLN HA H 1 4.237 0.02 . 1 . . . . 442 GLN HA . 7174 1 110 . 1 1 14 14 GLN HB2 H 1 2.166 0.02 . 1 . . . . 442 GLN HB2 . 7174 1 111 . 1 1 14 14 GLN HB3 H 1 2.166 0.02 . 1 . . . . 442 GLN HB3 . 7174 1 112 . 1 1 14 14 GLN HG2 H 1 2.300 0.02 . 1 . . . . 442 GLN HG2 . 7174 1 113 . 1 1 14 14 GLN HG3 H 1 2.300 0.02 . 1 . . . . 442 GLN HG3 . 7174 1 114 . 1 1 14 14 GLN HE21 H 1 7.340 0.02 . 2 . . . . 442 GLN HE21 . 7174 1 115 . 1 1 14 14 GLN HE22 H 1 6.710 0.02 . 2 . . . . 442 GLN HE22 . 7174 1 116 . 1 1 14 14 GLN CA C 13 57.801 0.15 . 1 . . . . 442 GLN CA . 7174 1 117 . 1 1 14 14 GLN N N 15 118.204 0.12 . 1 . . . . 442 GLN N . 7174 1 118 . 1 1 14 14 GLN NE2 N 15 112.068 0.12 . 1 . . . . 442 GLN NE2 . 7174 1 119 . 1 1 15 15 GLY H H 1 8.590 0.02 . 1 . . . . 443 GLY H . 7174 1 120 . 1 1 15 15 GLY HA2 H 1 3.703 0.02 . 2 . . . . 443 GLY HA2 . 7174 1 121 . 1 1 15 15 GLY HA3 H 1 4.558 0.02 . 2 . . . . 443 GLY HA3 . 7174 1 122 . 1 1 15 15 GLY CA C 13 45.353 0.15 . 1 . . . . 443 GLY CA . 7174 1 123 . 1 1 15 15 GLY N N 15 107.152 0.12 . 1 . . . . 443 GLY N . 7174 1 124 . 1 1 16 16 ARG H H 1 7.020 0.02 . 1 . . . . 444 ARG H . 7174 1 125 . 1 1 16 16 ARG HA H 1 4.770 0.02 . 1 . . . . 444 ARG HA . 7174 1 126 . 1 1 16 16 ARG HB2 H 1 1.710 0.02 . 1 . . . . 444 ARG HB2 . 7174 1 127 . 1 1 16 16 ARG HB3 H 1 1.710 0.02 . 1 . . . . 444 ARG HB3 . 7174 1 128 . 1 1 16 16 ARG HG2 H 1 1.470 0.02 . 1 . . . . 444 ARG HG2 . 7174 1 129 . 1 1 16 16 ARG HG3 H 1 1.470 0.02 . 1 . . . . 444 ARG HG3 . 7174 1 130 . 1 1 16 16 ARG CA C 13 53.838 0.15 . 1 . . . . 444 ARG CA . 7174 1 131 . 1 1 16 16 ARG N N 15 121.311 0.12 . 1 . . . . 444 ARG N . 7174 1 132 . 1 1 17 17 PRO HA H 1 4.300 0.02 . 1 . . . . 445 PRO HA . 7174 1 133 . 1 1 17 17 PRO HB2 H 1 2.256 0.02 . 1 . . . . 445 PRO HB2 . 7174 1 134 . 1 1 17 17 PRO HB3 H 1 2.256 0.02 . 1 . . . . 445 PRO HB3 . 7174 1 135 . 1 1 17 17 PRO HG2 H 1 1.900 0.02 . 1 . . . . 445 PRO HG2 . 7174 1 136 . 1 1 17 17 PRO HG3 H 1 1.900 0.02 . 1 . . . . 445 PRO HG3 . 7174 1 137 . 1 1 17 17 PRO HD2 H 1 3.613 0.02 . 1 . . . . 445 PRO HD2 . 7174 1 138 . 1 1 17 17 PRO HD3 H 1 3.613 0.02 . 1 . . . . 445 PRO HD3 . 7174 1 139 . 1 1 17 17 PRO CA C 13 61.857 0.15 . 1 . . . . 445 PRO CA . 7174 1 140 . 1 1 18 18 LYS H H 1 8.630 0.02 . 1 . . . . 446 LYS H . 7174 1 141 . 1 1 18 18 LYS HA H 1 3.729 0.02 . 1 . . . . 446 LYS HA . 7174 1 142 . 1 1 18 18 LYS HB2 H 1 1.747 0.02 . 1 . . . . 446 LYS HB2 . 7174 1 143 . 1 1 18 18 LYS HB3 H 1 1.747 0.02 . 1 . . . . 446 LYS HB3 . 7174 1 144 . 1 1 18 18 LYS HG2 H 1 1.341 0.02 . 1 . . . . 446 LYS HG2 . 7174 1 145 . 1 1 18 18 LYS HG3 H 1 1.341 0.02 . 1 . . . . 446 LYS HG3 . 7174 1 146 . 1 1 18 18 LYS HD2 H 1 1.591 0.02 . 1 . . . . 446 LYS HD2 . 7174 1 147 . 1 1 18 18 LYS HD3 H 1 1.591 0.02 . 1 . . . . 446 LYS HD3 . 7174 1 148 . 1 1 18 18 LYS CA C 13 55.749 0.15 . 1 . . . . 446 LYS CA . 7174 1 149 . 1 1 18 18 LYS N N 15 117.690 0.12 . 1 . . . . 446 LYS N . 7174 1 150 . 1 1 19 19 ASN H H 1 7.830 0.02 . 1 . . . . 447 ASN H . 7174 1 151 . 1 1 19 19 ASN HA H 1 3.720 0.02 . 1 . . . . 447 ASN HA . 7174 1 152 . 1 1 19 19 ASN HB2 H 1 2.580 0.02 . 1 . . . . 447 ASN HB2 . 7174 1 153 . 1 1 19 19 ASN HB3 H 1 2.580 0.02 . 1 . . . . 447 ASN HB3 . 7174 1 154 . 1 1 19 19 ASN HD21 H 1 7.323 0.02 . 2 . . . . 447 ASN HD21 . 7174 1 155 . 1 1 19 19 ASN HD22 H 1 6.886 0.02 . 2 . . . . 447 ASN HD22 . 7174 1 156 . 1 1 19 19 ASN CA C 13 51.274 0.15 . 1 . . . . 447 ASN CA . 7174 1 157 . 1 1 19 19 ASN CB C 13 39.231 0.15 . 1 . . . . 447 ASN CB . 7174 1 158 . 1 1 19 19 ASN N N 15 121.289 0.12 . 1 . . . . 447 ASN N . 7174 1 159 . 1 1 19 19 ASN ND2 N 15 109.894 0.12 . 1 . . . . 447 ASN ND2 . 7174 1 160 . 1 1 20 20 GLY H H 1 9.150 0.02 . 1 . . . . 448 GLY H . 7174 1 161 . 1 1 20 20 GLY HA2 H 1 2.913 0.02 . 2 . . . . 448 GLY HA2 . 7174 1 162 . 1 1 20 20 GLY HA3 H 1 4.635 0.02 . 2 . . . . 448 GLY HA3 . 7174 1 163 . 1 1 20 20 GLY CA C 13 45.446 0.15 . 1 . . . . 448 GLY CA . 7174 1 164 . 1 1 20 20 GLY N N 15 111.007 0.12 . 1 . . . . 448 GLY N . 7174 1 165 . 1 1 21 21 CYS H H 1 8.570 0.02 . 1 . . . . 449 CYS H . 7174 1 166 . 1 1 21 21 CYS HA H 1 3.790 0.02 . 1 . . . . 449 CYS HA . 7174 1 167 . 1 1 21 21 CYS HB2 H 1 2.670 0.02 . 2 . . . . 449 CYS HB2 . 7174 1 168 . 1 1 21 21 CYS HB3 H 1 2.750 0.02 . 2 . . . . 449 CYS HB3 . 7174 1 169 . 1 1 21 21 CYS CA C 13 60.696 0.15 . 1 . . . . 449 CYS CA . 7174 1 170 . 1 1 21 21 CYS CB C 13 26.980 0.15 . 1 . . . . 449 CYS CB . 7174 1 171 . 1 1 21 21 CYS N N 15 123.700 0.12 . 1 . . . . 449 CYS N . 7174 1 172 . 1 1 22 22 ILE H H 1 7.640 0.02 . 1 . . . . 450 ILE H . 7174 1 173 . 1 1 22 22 ILE HA H 1 3.840 0.02 . 1 . . . . 450 ILE HA . 7174 1 174 . 1 1 22 22 ILE HB H 1 2.190 0.02 . 1 . . . . 450 ILE HB . 7174 1 175 . 1 1 22 22 ILE HG21 H 1 0.883 0.02 . 1 . . . . 450 ILE QG2 . 7174 1 176 . 1 1 22 22 ILE HG22 H 1 0.883 0.02 . 1 . . . . 450 ILE QG2 . 7174 1 177 . 1 1 22 22 ILE HG23 H 1 0.883 0.02 . 1 . . . . 450 ILE QG2 . 7174 1 178 . 1 1 22 22 ILE HD11 H 1 0.592 0.02 . 1 . . . . 450 ILE QD1 . 7174 1 179 . 1 1 22 22 ILE HD12 H 1 0.592 0.02 . 1 . . . . 450 ILE QD1 . 7174 1 180 . 1 1 22 22 ILE HD13 H 1 0.592 0.02 . 1 . . . . 450 ILE QD1 . 7174 1 181 . 1 1 22 22 ILE CA C 13 62.230 0.15 . 1 . . . . 450 ILE CA . 7174 1 182 . 1 1 22 22 ILE N N 15 131.880 0.12 . 1 . . . . 450 ILE N . 7174 1 183 . 1 1 23 23 VAL H H 1 8.310 0.02 . 1 . . . . 451 VAL H . 7174 1 184 . 1 1 23 23 VAL HA H 1 4.090 0.02 . 1 . . . . 451 VAL HA . 7174 1 185 . 1 1 23 23 VAL HB H 1 1.750 0.02 . 1 . . . . 451 VAL HB . 7174 1 186 . 1 1 23 23 VAL HG11 H 1 0.592 0.02 . 2 . . . . 451 VAL QG1 . 7174 1 187 . 1 1 23 23 VAL HG12 H 1 0.592 0.02 . 2 . . . . 451 VAL QG1 . 7174 1 188 . 1 1 23 23 VAL HG13 H 1 0.592 0.02 . 2 . . . . 451 VAL QG1 . 7174 1 189 . 1 1 23 23 VAL HG21 H 1 0.714 0.02 . 2 . . . . 451 VAL QG2 . 7174 1 190 . 1 1 23 23 VAL HG22 H 1 0.714 0.02 . 2 . . . . 451 VAL QG2 . 7174 1 191 . 1 1 23 23 VAL HG23 H 1 0.714 0.02 . 2 . . . . 451 VAL QG2 . 7174 1 192 . 1 1 23 23 VAL CA C 13 62.183 0.15 . 1 . . . . 451 VAL CA . 7174 1 193 . 1 1 23 23 VAL CB C 13 32.500 0.15 . 1 . . . . 451 VAL CB . 7174 1 194 . 1 1 23 23 VAL N N 15 127.770 0.12 . 1 . . . . 451 VAL N . 7174 1 195 . 1 1 24 24 HIS H H 1 8.290 0.02 . 1 . . . . 452 HIS H . 7174 1 196 . 1 1 24 24 HIS HA H 1 3.750 0.02 . 1 . . . . 452 HIS HA . 7174 1 197 . 1 1 24 24 HIS HB2 H 1 3.080 0.02 . 1 . . . . 452 HIS HB2 . 7174 1 198 . 1 1 24 24 HIS HB3 H 1 3.080 0.02 . 1 . . . . 452 HIS HB3 . 7174 1 199 . 1 1 24 24 HIS HD1 H 1 11.449 0.02 . 1 . . . . 452 HIS HD1 . 7174 1 200 . 1 1 24 24 HIS HD2 H 1 6.180 0.02 . 1 . . . . 452 HIS HD2 . 7174 1 201 . 1 1 24 24 HIS HE1 H 1 6.840 0.02 . 1 . . . . 452 HIS HE1 . 7174 1 202 . 1 1 24 24 HIS CA C 13 52.672 0.15 . 1 . . . . 452 HIS CA . 7174 1 203 . 1 1 24 24 HIS CD2 C 13 128.210 0.15 . 1 . . . . 452 HIS CD2 . 7174 1 204 . 1 1 24 24 HIS CE1 C 13 139.020 0.15 . 1 . . . . 452 HIS CE1 . 7174 1 205 . 1 1 24 24 HIS N N 15 122.500 0.12 . 1 . . . . 452 HIS N . 7174 1 206 . 1 1 24 24 HIS ND1 N 15 174.170 0.12 . 1 . . . . 452 HIS ND1 . 7174 1 207 . 1 1 24 24 HIS NE2 N 15 218.520 0.12 . 1 . . . . 452 HIS NE2 . 7174 1 208 . 1 1 25 25 GLY H H 1 8.845 0.02 . 1 . . . . 453 GLY H . 7174 1 209 . 1 1 25 25 GLY HA2 H 1 4.030 0.02 . 2 . . . . 453 GLY HA2 . 7174 1 210 . 1 1 25 25 GLY HA3 H 1 3.690 0.02 . 2 . . . . 453 GLY HA3 . 7174 1 211 . 1 1 25 25 GLY CA C 13 47.078 0.15 . 1 . . . . 453 GLY CA . 7174 1 212 . 1 1 25 25 GLY N N 15 116.148 0.12 . 1 . . . . 453 GLY N . 7174 1 213 . 1 1 26 26 LYS H H 1 8.815 0.02 . 1 . . . . 454 LYS H . 7174 1 214 . 1 1 26 26 LYS HA H 1 4.417 0.02 . 1 . . . . 454 LYS HA . 7174 1 215 . 1 1 26 26 LYS HB2 H 1 1.765 0.02 . 1 . . . . 454 LYS HB2 . 7174 1 216 . 1 1 26 26 LYS HB3 H 1 1.765 0.02 . 1 . . . . 454 LYS HB3 . 7174 1 217 . 1 1 26 26 LYS HD2 H 1 1.530 0.02 . 1 . . . . 454 LYS HD2 . 7174 1 218 . 1 1 26 26 LYS HD3 H 1 1.530 0.02 . 1 . . . . 454 LYS HD3 . 7174 1 219 . 1 1 26 26 LYS CA C 13 55.656 0.15 . 1 . . . . 454 LYS CA . 7174 1 220 . 1 1 26 26 LYS N N 15 124.116 0.12 . 1 . . . . 454 LYS N . 7174 1 221 . 1 1 27 27 THR H H 1 7.930 0.02 . 1 . . . . 455 THR H . 7174 1 222 . 1 1 27 27 THR HA H 1 5.313 0.02 . 1 . . . . 455 THR HA . 7174 1 223 . 1 1 27 27 THR HB H 1 4.220 0.02 . 1 . . . . 455 THR HB . 7174 1 224 . 1 1 27 27 THR HG21 H 1 1.210 0.02 . 1 . . . . 455 THR QG2 . 7174 1 225 . 1 1 27 27 THR HG22 H 1 1.210 0.02 . 1 . . . . 455 THR QG2 . 7174 1 226 . 1 1 27 27 THR HG23 H 1 1.210 0.02 . 1 . . . . 455 THR QG2 . 7174 1 227 . 1 1 27 27 THR CA C 13 59.572 0.15 . 1 . . . . 455 THR CA . 7174 1 228 . 1 1 27 27 THR CB C 13 72.887 0.15 . 1 . . . . 455 THR CB . 7174 1 229 . 1 1 27 27 THR N N 15 109.722 0.12 . 1 . . . . 455 THR N . 7174 1 230 . 1 1 28 28 GLY H H 1 8.486 0.02 . 1 . . . . 456 GLY H . 7174 1 231 . 1 1 28 28 GLY HA2 H 1 4.959 0.02 . 2 . . . . 456 GLY HA2 . 7174 1 232 . 1 1 28 28 GLY HA3 H 1 2.624 0.02 . 2 . . . . 456 GLY HA3 . 7174 1 233 . 1 1 28 28 GLY CA C 13 44.187 0.15 . 1 . . . . 456 GLY CA . 7174 1 234 . 1 1 28 28 GLY N N 15 106.123 0.12 . 1 . . . . 456 GLY N . 7174 1 235 . 1 1 29 29 HIS N N 15 121.238 0.12 . 1 . . . . 457 HIST N . 7174 1 236 . 1 1 29 29 HIS H H 1 8.806 0.02 . 1 . . . . 457 HIST H . 7174 1 237 . 1 1 29 29 HIS CA C 13 57.148 0.15 . 1 . . . . 457 HIST CA . 7174 1 238 . 1 1 29 29 HIS HA H 1 5.037 0.02 . 1 . . . . 457 HIST HA . 7174 1 239 . 1 1 29 29 HIS HB2 H 1 2.857 0.02 . 2 . . . . 457 HIST HB2 . 7174 1 240 . 1 1 29 29 HIS HB3 H 1 3.019 0.02 . 2 . . . . 457 HIST HB3 . 7174 1 241 . 1 1 29 29 HIS ND1 N 15 212.950 0.12 . 1 . . . . 457 HIST ND1 . 7174 1 242 . 1 1 29 29 HIS CD2 C 13 118.670 0.15 . 1 . . . . 457 HIST CD2 . 7174 1 243 . 1 1 29 29 HIS CE1 C 13 140.850 0.15 . 1 . . . . 457 HIST CE1 . 7174 1 244 . 1 1 29 29 HIS NE2 N 15 172.470 0.12 . 1 . . . . 457 HIST NE2 . 7174 1 245 . 1 1 29 29 HIS HD2 H 1 7.040 0.02 . 1 . . . . 457 HIST HD2 . 7174 1 246 . 1 1 29 29 HIS HE1 H 1 7.870 0.02 . 1 . . . . 457 HIST HE1 . 7174 1 247 . 1 1 30 30 LEU H H 1 8.910 0.02 . 1 . . . . 458 LEU H . 7174 1 248 . 1 1 30 30 LEU HA H 1 4.884 0.02 . 1 . . . . 458 LEU HA . 7174 1 249 . 1 1 30 30 LEU HB2 H 1 1.450 0.02 . 1 . . . . 458 LEU HB2 . 7174 1 250 . 1 1 30 30 LEU HB3 H 1 1.450 0.02 . 1 . . . . 458 LEU HB3 . 7174 1 251 . 1 1 30 30 LEU HG H 1 1.650 0.02 . 1 . . . . 458 LEU HG . 7174 1 252 . 1 1 30 30 LEU HD11 H 1 0.760 0.02 . 2 . . . . 458 LEU QD1 . 7174 1 253 . 1 1 30 30 LEU HD12 H 1 0.760 0.02 . 2 . . . . 458 LEU QD1 . 7174 1 254 . 1 1 30 30 LEU HD13 H 1 0.760 0.02 . 2 . . . . 458 LEU QD1 . 7174 1 255 . 1 1 30 30 LEU HD21 H 1 0.890 0.02 . 2 . . . . 458 LEU QD2 . 7174 1 256 . 1 1 30 30 LEU HD22 H 1 0.890 0.02 . 2 . . . . 458 LEU QD2 . 7174 1 257 . 1 1 30 30 LEU HD23 H 1 0.890 0.02 . 2 . . . . 458 LEU QD2 . 7174 1 258 . 1 1 30 30 LEU CA C 13 54.164 0.15 . 1 . . . . 458 LEU CA . 7174 1 259 . 1 1 30 30 LEU N N 15 129.514 0.12 . 1 . . . . 458 LEU N . 7174 1 260 . 1 1 31 31 MET H H 1 9.407 0.02 . 1 . . . . 459 MET H . 7174 1 261 . 1 1 31 31 MET HA H 1 4.554 0.02 . 1 . . . . 459 MET HA . 7174 1 262 . 1 1 31 31 MET HB2 H 1 2.215 0.02 . 1 . . . . 459 MET HB2 . 7174 1 263 . 1 1 31 31 MET HB3 H 1 2.215 0.02 . 1 . . . . 459 MET HB3 . 7174 1 264 . 1 1 31 31 MET HG2 H 1 2.315 0.02 . 1 . . . . 459 MET HG2 . 7174 1 265 . 1 1 31 31 MET HG3 H 1 2.315 0.02 . 1 . . . . 459 MET HG3 . 7174 1 266 . 1 1 31 31 MET CA C 13 56.029 0.15 . 1 . . . . 459 MET CA . 7174 1 267 . 1 1 31 31 MET N N 15 123.803 0.12 . 1 . . . . 459 MET N . 7174 1 268 . 1 1 32 32 ALA H H 1 8.290 0.02 . 1 . . . . 460 ALA H . 7174 1 269 . 1 1 32 32 ALA HA H 1 6.110 0.02 . 1 . . . . 460 ALA HA . 7174 1 270 . 1 1 32 32 ALA HB1 H 1 1.470 0.02 . 1 . . . . 460 ALA QB . 7174 1 271 . 1 1 32 32 ALA HB2 H 1 1.470 0.02 . 1 . . . . 460 ALA QB . 7174 1 272 . 1 1 32 32 ALA HB3 H 1 1.470 0.02 . 1 . . . . 460 ALA QB . 7174 1 273 . 1 1 32 32 ALA CA C 13 49.269 0.15 . 1 . . . . 460 ALA CA . 7174 1 274 . 1 1 32 32 ALA CB C 13 23.080 0.15 . 1 . . . . 460 ALA CB . 7174 1 275 . 1 1 32 32 ALA N N 15 125.144 0.12 . 1 . . . . 460 ALA N . 7174 1 276 . 1 1 33 33 CYS H H 1 9.650 0.02 . 1 . . . . 461 CYS H . 7174 1 277 . 1 1 33 33 CYS HA H 1 5.268 0.02 . 1 . . . . 461 CYS HA . 7174 1 278 . 1 1 33 33 CYS HB2 H 1 3.040 0.02 . 2 . . . . 461 CYS HB2 . 7174 1 279 . 1 1 33 33 CYS HB3 H 1 3.590 0.02 . 2 . . . . 461 CYS HB3 . 7174 1 280 . 1 1 33 33 CYS CA C 13 57.567 0.15 . 1 . . . . 461 CYS CA . 7174 1 281 . 1 1 33 33 CYS CB C 13 33.830 0.15 . 1 . . . . 461 CYS CB . 7174 1 282 . 1 1 33 33 CYS N N 15 117.690 0.12 . 1 . . . . 461 CYS N . 7174 1 283 . 1 1 34 34 PHE H H 1 8.830 0.02 . 1 . . . . 462 PHE H . 7174 1 284 . 1 1 34 34 PHE HA H 1 3.840 0.02 . 1 . . . . 462 PHE HA . 7174 1 285 . 1 1 34 34 PHE HB2 H 1 2.800 0.02 . 2 . . . . 462 PHE HB2 . 7174 1 286 . 1 1 34 34 PHE HB3 H 1 3.170 0.02 . 2 . . . . 462 PHE HB3 . 7174 1 287 . 1 1 34 34 PHE HD1 H 1 6.980 0.02 . 1 . . . . 462 PHE HD1 . 7174 1 288 . 1 1 34 34 PHE HD2 H 1 6.980 0.02 . 1 . . . . 462 PHE HD2 . 7174 1 289 . 1 1 34 34 PHE HE1 H 1 7.240 0.02 . 1 . . . . 462 PHE HE1 . 7174 1 290 . 1 1 34 34 PHE HE2 H 1 7.240 0.02 . 1 . . . . 462 PHE HE2 . 7174 1 291 . 1 1 34 34 PHE HZ H 1 7.290 0.02 . 1 . . . . 462 PHE HZ . 7174 1 292 . 1 1 34 34 PHE CA C 13 62.230 0.15 . 1 . . . . 462 PHE CA . 7174 1 293 . 1 1 34 34 PHE N N 15 121.000 0.12 . 1 . . . . 462 PHE N . 7174 1 294 . 1 1 35 35 THR H H 1 8.200 0.02 . 1 . . . . 463 THR H . 7174 1 295 . 1 1 35 35 THR HA H 1 3.621 0.02 . 1 . . . . 463 THR HA . 7174 1 296 . 1 1 35 35 THR HB H 1 4.410 0.02 . 1 . . . . 463 THR HB . 7174 1 297 . 1 1 35 35 THR HG21 H 1 1.147 0.02 . 1 . . . . 463 THR QG2 . 7174 1 298 . 1 1 35 35 THR HG22 H 1 1.147 0.02 . 1 . . . . 463 THR QG2 . 7174 1 299 . 1 1 35 35 THR HG23 H 1 1.147 0.02 . 1 . . . . 463 THR QG2 . 7174 1 300 . 1 1 35 35 THR CA C 13 67.519 0.15 . 1 . . . . 463 THR CA . 7174 1 301 . 1 1 35 35 THR CB C 13 69.020 0.15 . 1 . . . . 463 THR CB . 7174 1 302 . 1 1 35 35 THR N N 15 115.377 0.12 . 1 . . . . 463 THR N . 7174 1 303 . 1 1 36 36 CYS H H 1 9.330 0.02 . 1 . . . . 464 CYS H . 7174 1 304 . 1 1 36 36 CYS HA H 1 3.730 0.02 . 1 . . . . 464 CYS HA . 7174 1 305 . 1 1 36 36 CYS HB2 H 1 2.810 0.02 . 2 . . . . 464 CYS HB2 . 7174 1 306 . 1 1 36 36 CYS HB3 H 1 3.020 0.02 . 2 . . . . 464 CYS HB3 . 7174 1 307 . 1 1 36 36 CYS CA C 13 65.400 0.15 . 1 . . . . 464 CYS CA . 7174 1 308 . 1 1 36 36 CYS N N 15 126.172 0.12 . 1 . . . . 464 CYS N . 7174 1 309 . 1 1 37 37 ALA H H 1 8.930 0.02 . 1 . . . . 465 ALA H . 7174 1 310 . 1 1 37 37 ALA HA H 1 3.845 0.02 . 1 . . . . 465 ALA HA . 7174 1 311 . 1 1 37 37 ALA HB1 H 1 1.318 0.02 . 1 . . . . 465 ALA QB . 7174 1 312 . 1 1 37 37 ALA HB2 H 1 1.318 0.02 . 1 . . . . 465 ALA QB . 7174 1 313 . 1 1 37 37 ALA HB3 H 1 1.318 0.02 . 1 . . . . 465 ALA QB . 7174 1 314 . 1 1 37 37 ALA CA C 13 55.423 0.15 . 1 . . . . 465 ALA CA . 7174 1 315 . 1 1 37 37 ALA N N 15 122.574 0.12 . 1 . . . . 465 ALA N . 7174 1 316 . 1 1 38 38 LYS H H 1 8.260 0.02 . 1 . . . . 466 LYS H . 7174 1 317 . 1 1 38 38 LYS HA H 1 3.594 0.02 . 1 . . . . 466 LYS HA . 7174 1 318 . 1 1 38 38 LYS HB2 H 1 1.520 0.02 . 1 . . . . 466 LYS HB2 . 7174 1 319 . 1 1 38 38 LYS HB3 H 1 1.520 0.02 . 1 . . . . 466 LYS HB3 . 7174 1 320 . 1 1 38 38 LYS HG2 H 1 1.480 0.02 . 1 . . . . 466 LYS HG2 . 7174 1 321 . 1 1 38 38 LYS HG3 H 1 1.480 0.02 . 1 . . . . 466 LYS HG3 . 7174 1 322 . 1 1 38 38 LYS CA C 13 59.386 0.15 . 1 . . . . 466 LYS CA . 7174 1 323 . 1 1 38 38 LYS N N 15 116.919 0.12 . 1 . . . . 466 LYS N . 7174 1 324 . 1 1 39 39 LYS H H 1 7.294 0.02 . 1 . . . . 467 LYS H . 7174 1 325 . 1 1 39 39 LYS HA H 1 3.874 0.02 . 1 . . . . 467 LYS HA . 7174 1 326 . 1 1 39 39 LYS HB2 H 1 1.821 0.02 . 2 . . . . 467 LYS HB2 . 7174 1 327 . 1 1 39 39 LYS HB3 H 1 1.720 0.02 . 2 . . . . 467 LYS HB3 . 7174 1 328 . 1 1 39 39 LYS CA C 13 59.712 0.15 . 1 . . . . 467 LYS CA . 7174 1 329 . 1 1 39 39 LYS N N 15 119.746 0.12 . 1 . . . . 467 LYS N . 7174 1 330 . 1 1 40 40 LEU H H 1 7.280 0.02 . 1 . . . . 468 LEU H . 7174 1 331 . 1 1 40 40 LEU HA H 1 3.766 0.02 . 1 . . . . 468 LEU HA . 7174 1 332 . 1 1 40 40 LEU HB2 H 1 1.582 0.02 . 1 . . . . 468 LEU HB2 . 7174 1 333 . 1 1 40 40 LEU HB3 H 1 1.582 0.02 . 1 . . . . 468 LEU HB3 . 7174 1 334 . 1 1 40 40 LEU HG H 1 2.039 0.02 . 1 . . . . 468 LEU HG . 7174 1 335 . 1 1 40 40 LEU HD11 H 1 0.716 0.02 . 2 . . . . 468 LEU QD1 . 7174 1 336 . 1 1 40 40 LEU HD12 H 1 0.716 0.02 . 2 . . . . 468 LEU QD1 . 7174 1 337 . 1 1 40 40 LEU HD13 H 1 0.716 0.02 . 2 . . . . 468 LEU QD1 . 7174 1 338 . 1 1 40 40 LEU HD21 H 1 1.120 0.02 . 2 . . . . 468 LEU QD2 . 7174 1 339 . 1 1 40 40 LEU HD22 H 1 1.120 0.02 . 2 . . . . 468 LEU QD2 . 7174 1 340 . 1 1 40 40 LEU HD23 H 1 1.120 0.02 . 2 . . . . 468 LEU QD2 . 7174 1 341 . 1 1 40 40 LEU CA C 13 58.127 0.15 . 1 . . . . 468 LEU CA . 7174 1 342 . 1 1 40 40 LEU CG C 13 27.713 0.15 . 1 . . . . 468 LEU CG . 7174 1 343 . 1 1 40 40 LEU N N 15 118.204 0.12 . 1 . . . . 468 LEU N . 7174 1 344 . 1 1 41 41 LYS H H 1 7.390 0.02 . 1 . . . . 469 LYS H . 7174 1 345 . 1 1 41 41 LYS HA H 1 3.950 0.02 . 1 . . . . 469 LYS HA . 7174 1 346 . 1 1 41 41 LYS HB2 H 1 1.963 0.02 . 1 . . . . 469 LYS HB2 . 7174 1 347 . 1 1 41 41 LYS HB3 H 1 1.963 0.02 . 1 . . . . 469 LYS HB3 . 7174 1 348 . 1 1 41 41 LYS HD2 H 1 1.510 0.02 . 1 . . . . 469 LYS HD2 . 7174 1 349 . 1 1 41 41 LYS HD3 H 1 1.510 0.02 . 1 . . . . 469 LYS HD3 . 7174 1 350 . 1 1 41 41 LYS CA C 13 58.873 0.15 . 1 . . . . 469 LYS CA . 7174 1 351 . 1 1 41 41 LYS N N 15 117.947 0.12 . 1 . . . . 469 LYS N . 7174 1 352 . 1 1 42 42 LYS H H 1 8.430 0.02 . 1 . . . . 470 LYS H . 7174 1 353 . 1 1 42 42 LYS HA H 1 3.990 0.02 . 1 . . . . 470 LYS HA . 7174 1 354 . 1 1 42 42 LYS HB2 H 1 1.884 0.02 . 1 . . . . 470 LYS HB2 . 7174 1 355 . 1 1 42 42 LYS HB3 H 1 1.884 0.02 . 1 . . . . 470 LYS HB3 . 7174 1 356 . 1 1 42 42 LYS HG2 H 1 1.310 0.02 . 1 . . . . 470 LYS HG2 . 7174 1 357 . 1 1 42 42 LYS HG3 H 1 1.310 0.02 . 1 . . . . 470 LYS HG3 . 7174 1 358 . 1 1 42 42 LYS HD2 H 1 1.624 0.02 . 1 . . . . 470 LYS HD2 . 7174 1 359 . 1 1 42 42 LYS HD3 H 1 1.624 0.02 . 1 . . . . 470 LYS HD3 . 7174 1 360 . 1 1 42 42 LYS CA C 13 58.780 0.15 . 1 . . . . 470 LYS CA . 7174 1 361 . 1 1 42 42 LYS N N 15 121.803 0.12 . 1 . . . . 470 LYS N . 7174 1 362 . 1 1 43 43 ARG H H 1 7.346 0.02 . 1 . . . . 471 ARG H . 7174 1 363 . 1 1 43 43 ARG HA H 1 4.265 0.02 . 1 . . . . 471 ARG HA . 7174 1 364 . 1 1 43 43 ARG HB2 H 1 2.072 0.02 . 1 . . . . 471 ARG HB2 . 7174 1 365 . 1 1 43 43 ARG HB3 H 1 2.072 0.02 . 1 . . . . 471 ARG HB3 . 7174 1 366 . 1 1 43 43 ARG HG2 H 1 1.617 0.02 . 1 . . . . 471 ARG HG2 . 7174 1 367 . 1 1 43 43 ARG HG3 H 1 1.617 0.02 . 1 . . . . 471 ARG HG3 . 7174 1 368 . 1 1 43 43 ARG CA C 13 55.376 0.15 . 1 . . . . 471 ARG CA . 7174 1 369 . 1 1 43 43 ARG N N 15 115.634 0.12 . 1 . . . . 471 ARG N . 7174 1 370 . 1 1 44 44 ASN H H 1 8.130 0.02 . 1 . . . . 472 ASN H . 7174 1 371 . 1 1 44 44 ASN HA H 1 4.276 0.02 . 1 . . . . 472 ASN HA . 7174 1 372 . 1 1 44 44 ASN HB2 H 1 2.679 0.02 . 2 . . . . 472 ASN HB2 . 7174 1 373 . 1 1 44 44 ASN HB3 H 1 3.074 0.02 . 2 . . . . 472 ASN HB3 . 7174 1 374 . 1 1 44 44 ASN HD21 H 1 6.786 0.02 . 2 . . . . 472 ASN HD21 . 7174 1 375 . 1 1 44 44 ASN HD22 H 1 7.507 0.02 . 2 . . . . 472 ASN HD22 . 7174 1 376 . 1 1 44 44 ASN CA C 13 54.118 0.15 . 1 . . . . 472 ASN CA . 7174 1 377 . 1 1 44 44 ASN CB C 13 37.170 0.15 . 1 . . . . 472 ASN CB . 7174 1 378 . 1 1 44 44 ASN N N 15 116.148 0.12 . 1 . . . . 472 ASN N . 7174 1 379 . 1 1 44 44 ASN ND2 N 15 113.010 0.12 . 1 . . . . 472 ASN ND2 . 7174 1 380 . 1 1 45 45 LYS H H 1 8.040 0.02 . 1 . . . . 473 LYS H . 7174 1 381 . 1 1 45 45 LYS HA H 1 4.484 0.02 . 1 . . . . 473 LYS HA . 7174 1 382 . 1 1 45 45 LYS HB2 H 1 1.808 0.02 . 1 . . . . 473 LYS HB2 . 7174 1 383 . 1 1 45 45 LYS HB3 H 1 1.808 0.02 . 1 . . . . 473 LYS HB3 . 7174 1 384 . 1 1 45 45 LYS HG2 H 1 1.320 0.02 . 1 . . . . 473 LYS HG2 . 7174 1 385 . 1 1 45 45 LYS HG3 H 1 1.320 0.02 . 1 . . . . 473 LYS HG3 . 7174 1 386 . 1 1 45 45 LYS HD2 H 1 1.570 0.02 . 1 . . . . 473 LYS HD2 . 7174 1 387 . 1 1 45 45 LYS HD3 H 1 1.570 0.02 . 1 . . . . 473 LYS HD3 . 7174 1 388 . 1 1 45 45 LYS CA C 13 52.719 0.15 . 1 . . . . 473 LYS CA . 7174 1 389 . 1 1 45 45 LYS N N 15 118.461 0.12 . 1 . . . . 473 LYS N . 7174 1 390 . 1 1 46 46 PRO HA H 1 4.394 0.02 . 1 . . . . 474 PRO HA . 7174 1 391 . 1 1 46 46 PRO HB2 H 1 1.941 0.02 . 1 . . . . 474 PRO HB2 . 7174 1 392 . 1 1 46 46 PRO HB3 H 1 1.941 0.02 . 1 . . . . 474 PRO HB3 . 7174 1 393 . 1 1 46 46 PRO HG2 H 1 1.750 0.02 . 1 . . . . 474 PRO HG2 . 7174 1 394 . 1 1 46 46 PRO HG3 H 1 1.750 0.02 . 1 . . . . 474 PRO HG3 . 7174 1 395 . 1 1 46 46 PRO HD2 H 1 3.637 0.02 . 2 . . . . 474 PRO HD2 . 7174 1 396 . 1 1 46 46 PRO HD3 H 1 3.456 0.02 . 2 . . . . 474 PRO HD3 . 7174 1 397 . 1 1 46 46 PRO CA C 13 61.111 0.15 . 1 . . . . 474 PRO CA . 7174 1 398 . 1 1 46 46 PRO CD C 13 49.349 0.15 . 1 . . . . 474 PRO CD . 7174 1 399 . 1 1 47 47 CYS H H 1 8.540 0.02 . 1 . . . . 475 CYS H . 7174 1 400 . 1 1 47 47 CYS HA H 1 4.270 0.02 . 1 . . . . 475 CYS HA . 7174 1 401 . 1 1 47 47 CYS HB2 H 1 2.980 0.02 . 2 . . . . 475 CYS HB2 . 7174 1 402 . 1 1 47 47 CYS HB3 H 1 3.440 0.02 . 2 . . . . 475 CYS HB3 . 7174 1 403 . 1 1 47 47 CYS CA C 13 57.661 0.15 . 1 . . . . 475 CYS CA . 7174 1 404 . 1 1 47 47 CYS CB C 13 31.225 0.15 . 1 . . . . 475 CYS CB . 7174 1 405 . 1 1 47 47 CYS N N 15 120.780 0.12 . 1 . . . . 475 CYS N . 7174 1 406 . 1 1 48 48 PRO HA H 1 4.240 0.02 . 1 . . . . 476 PRO HA . 7174 1 407 . 1 1 48 48 PRO HB2 H 1 1.990 0.02 . 1 . . . . 476 PRO HB2 . 7174 1 408 . 1 1 48 48 PRO HB3 H 1 1.990 0.02 . 1 . . . . 476 PRO HB3 . 7174 1 409 . 1 1 48 48 PRO HG2 H 1 1.800 0.02 . 1 . . . . 476 PRO HG2 . 7174 1 410 . 1 1 48 48 PRO HG3 H 1 1.800 0.02 . 1 . . . . 476 PRO HG3 . 7174 1 411 . 1 1 48 48 PRO HD2 H 1 3.770 0.02 . 1 . . . . 476 PRO HD2 . 7174 1 412 . 1 1 48 48 PRO HD3 H 1 3.770 0.02 . 1 . . . . 476 PRO HD3 . 7174 1 413 . 1 1 48 48 PRO CA C 13 64.200 0.15 . 1 . . . . 476 PRO CA . 7174 1 414 . 1 1 48 48 PRO CD C 13 50.420 0.15 . 1 . . . . 476 PRO CD . 7174 1 415 . 1 1 49 49 VAL H H 1 8.095 0.02 . 1 . . . . 477 VAL H . 7174 1 416 . 1 1 49 49 VAL HA H 1 3.733 0.02 . 1 . . . . 477 VAL HA . 7174 1 417 . 1 1 49 49 VAL HB H 1 1.259 0.02 . 1 . . . . 477 VAL HB . 7174 1 418 . 1 1 49 49 VAL HG11 H 1 0.755 0.02 . 2 . . . . 477 VAL QG1 . 7174 1 419 . 1 1 49 49 VAL HG12 H 1 0.755 0.02 . 2 . . . . 477 VAL QG1 . 7174 1 420 . 1 1 49 49 VAL HG13 H 1 0.755 0.02 . 2 . . . . 477 VAL QG1 . 7174 1 421 . 1 1 49 49 VAL HG21 H 1 0.264 0.02 . 2 . . . . 477 VAL QG2 . 7174 1 422 . 1 1 49 49 VAL HG22 H 1 0.264 0.02 . 2 . . . . 477 VAL QG2 . 7174 1 423 . 1 1 49 49 VAL HG23 H 1 0.264 0.02 . 2 . . . . 477 VAL QG2 . 7174 1 424 . 1 1 49 49 VAL CA C 13 64.234 0.15 . 1 . . . . 477 VAL CA . 7174 1 425 . 1 1 49 49 VAL CB C 13 32.330 0.15 . 1 . . . . 477 VAL CB . 7174 1 426 . 1 1 49 49 VAL N N 15 117.433 0.12 . 1 . . . . 477 VAL N . 7174 1 427 . 1 1 50 50 CYS H H 1 7.140 0.02 . 1 . . . . 478 CYS H . 7174 1 428 . 1 1 50 50 CYS HA H 1 4.802 0.02 . 1 . . . . 478 CYS HA . 7174 1 429 . 1 1 50 50 CYS HB2 H 1 3.180 0.02 . 2 . . . . 478 CYS HB2 . 7174 1 430 . 1 1 50 50 CYS HB3 H 1 2.500 0.02 . 2 . . . . 478 CYS HB3 . 7174 1 431 . 1 1 50 50 CYS CA C 13 57.381 0.15 . 1 . . . . 478 CYS CA . 7174 1 432 . 1 1 50 50 CYS CB C 13 32.569 0.15 . 1 . . . . 478 CYS CB . 7174 1 433 . 1 1 50 50 CYS N N 15 115.377 0.12 . 1 . . . . 478 CYS N . 7174 1 434 . 1 1 51 51 ARG H H 1 8.200 0.02 . 1 . . . . 479 ARG H . 7174 1 435 . 1 1 51 51 ARG HA H 1 3.817 0.02 . 1 . . . . 479 ARG HA . 7174 1 436 . 1 1 51 51 ARG HB2 H 1 1.973 0.02 . 1 . . . . 479 ARG HB2 . 7174 1 437 . 1 1 51 51 ARG HB3 H 1 1.973 0.02 . 1 . . . . 479 ARG HB3 . 7174 1 438 . 1 1 51 51 ARG HG2 H 1 1.410 0.02 . 1 . . . . 479 ARG HG2 . 7174 1 439 . 1 1 51 51 ARG HG3 H 1 1.410 0.02 . 1 . . . . 479 ARG HG3 . 7174 1 440 . 1 1 51 51 ARG CA C 13 58.034 0.15 . 1 . . . . 479 ARG CA . 7174 1 441 . 1 1 51 51 ARG N N 15 117.690 0.12 . 1 . . . . 479 ARG N . 7174 1 442 . 1 1 52 52 GLN H H 1 7.863 0.02 . 1 . . . . 480 GLN H . 7174 1 443 . 1 1 52 52 GLN HA H 1 4.544 0.02 . 1 . . . . 480 GLN HA . 7174 1 444 . 1 1 52 52 GLN HB2 H 1 1.571 0.02 . 2 . . . . 480 GLN HB2 . 7174 1 445 . 1 1 52 52 GLN HB3 H 1 1.898 0.02 . 2 . . . . 480 GLN HB3 . 7174 1 446 . 1 1 52 52 GLN HG2 H 1 2.135 0.02 . 2 . . . . 480 GLN HG2 . 7174 1 447 . 1 1 52 52 GLN HG3 H 1 2.210 0.02 . 2 . . . . 480 GLN HG3 . 7174 1 448 . 1 1 52 52 GLN HE21 H 1 7.350 0.02 . 2 . . . . 480 GLN HE21 . 7174 1 449 . 1 1 52 52 GLN HE22 H 1 6.670 0.02 . 2 . . . . 480 GLN HE22 . 7174 1 450 . 1 1 52 52 GLN CA C 13 54.304 0.15 . 1 . . . . 480 GLN CA . 7174 1 451 . 1 1 52 52 GLN N N 15 119.746 0.12 . 1 . . . . 480 GLN N . 7174 1 452 . 1 1 52 52 GLN NE2 N 15 113.540 0.12 . 1 . . . . 480 GLN NE2 . 7174 1 453 . 1 1 53 53 PRO HA H 1 4.140 0.02 . 1 . . . . 481 PRO HA . 7174 1 454 . 1 1 53 53 PRO HB2 H 1 2.190 0.02 . 2 . . . . 481 PRO HB2 . 7174 1 455 . 1 1 53 53 PRO HB3 H 1 1.940 0.02 . 2 . . . . 481 PRO HB3 . 7174 1 456 . 1 1 53 53 PRO CA C 13 62.400 0.15 . 1 . . . . 481 PRO CA . 7174 1 457 . 1 1 54 54 ILE H H 1 8.840 0.02 . 1 . . . . 482 ILE H . 7174 1 458 . 1 1 54 54 ILE HA H 1 3.573 0.02 . 1 . . . . 482 ILE HA . 7174 1 459 . 1 1 54 54 ILE HB H 1 1.702 0.02 . 1 . . . . 482 ILE HB . 7174 1 460 . 1 1 54 54 ILE HG12 H 1 0.904 0.02 . 2 . . . . 482 ILE HG12 . 7174 1 461 . 1 1 54 54 ILE HG13 H 1 1.350 0.02 . 2 . . . . 482 ILE HG13 . 7174 1 462 . 1 1 54 54 ILE HG21 H 1 0.760 0.02 . 1 . . . . 482 ILE QG2 . 7174 1 463 . 1 1 54 54 ILE HG22 H 1 0.760 0.02 . 1 . . . . 482 ILE QG2 . 7174 1 464 . 1 1 54 54 ILE HG23 H 1 0.760 0.02 . 1 . . . . 482 ILE QG2 . 7174 1 465 . 1 1 54 54 ILE HD11 H 1 0.670 0.02 . 1 . . . . 482 ILE QD1 . 7174 1 466 . 1 1 54 54 ILE HD12 H 1 0.670 0.02 . 1 . . . . 482 ILE QD1 . 7174 1 467 . 1 1 54 54 ILE HD13 H 1 0.670 0.02 . 1 . . . . 482 ILE QD1 . 7174 1 468 . 1 1 54 54 ILE CA C 13 62.463 0.15 . 1 . . . . 482 ILE CA . 7174 1 469 . 1 1 54 54 ILE CB C 13 38.700 0.15 . 1 . . . . 482 ILE CB . 7174 1 470 . 1 1 54 54 ILE N N 15 122.061 0.12 . 1 . . . . 482 ILE N . 7174 1 471 . 1 1 55 55 GLN H H 1 8.650 0.02 . 1 . . . . 483 GLN H . 7174 1 472 . 1 1 55 55 GLN HA H 1 4.224 0.02 . 1 . . . . 483 GLN HA . 7174 1 473 . 1 1 55 55 GLN HB2 H 1 1.950 0.02 . 2 . . . . 483 GLN HB2 . 7174 1 474 . 1 1 55 55 GLN HB3 H 1 2.213 0.02 . 2 . . . . 483 GLN HB3 . 7174 1 475 . 1 1 55 55 GLN HG2 H 1 2.430 0.02 . 1 . . . . 483 GLN HG2 . 7174 1 476 . 1 1 55 55 GLN HG3 H 1 2.430 0.02 . 1 . . . . 483 GLN HG3 . 7174 1 477 . 1 1 55 55 GLN HE21 H 1 7.552 0.02 . 2 . . . . 483 GLN HE21 . 7174 1 478 . 1 1 55 55 GLN HE22 H 1 6.945 0.02 . 2 . . . . 483 GLN HE22 . 7174 1 479 . 1 1 55 55 GLN CA C 13 58.174 0.15 . 1 . . . . 483 GLN CA . 7174 1 480 . 1 1 55 55 GLN CG C 13 33.912 0.15 . 1 . . . . 483 GLN CG . 7174 1 481 . 1 1 55 55 GLN N N 15 129.000 0.12 . 1 . . . . 483 GLN N . 7174 1 482 . 1 1 55 55 GLN NE2 N 15 113.517 0.12 . 1 . . . . 483 GLN NE2 . 7174 1 483 . 1 1 56 56 MET H H 1 7.567 0.02 . 1 . . . . 484 MET H . 7174 1 484 . 1 1 56 56 MET HA H 1 4.597 0.02 . 1 . . . . 484 MET HA . 7174 1 485 . 1 1 56 56 MET HB2 H 1 2.089 0.02 . 1 . . . . 484 MET HB2 . 7174 1 486 . 1 1 56 56 MET HB3 H 1 2.089 0.02 . 1 . . . . 484 MET HB3 . 7174 1 487 . 1 1 56 56 MET HE1 H 1 1.840 0.02 . 1 . . . . 484 MET QE . 7174 1 488 . 1 1 56 56 MET HE2 H 1 1.840 0.02 . 1 . . . . 484 MET QE . 7174 1 489 . 1 1 56 56 MET HE3 H 1 1.840 0.02 . 1 . . . . 484 MET QE . 7174 1 490 . 1 1 56 56 MET CA C 13 54.677 0.15 . 1 . . . . 484 MET CA . 7174 1 491 . 1 1 56 56 MET N N 15 112.807 0.12 . 1 . . . . 484 MET N . 7174 1 492 . 1 1 57 57 ILE H H 1 8.375 0.02 . 1 . . . . 485 ILE H . 7174 1 493 . 1 1 57 57 ILE HA H 1 4.894 0.02 . 1 . . . . 485 ILE HA . 7174 1 494 . 1 1 57 57 ILE HB H 1 1.772 0.02 . 1 . . . . 485 ILE HB . 7174 1 495 . 1 1 57 57 ILE HG12 H 1 1.170 0.02 . 1 . . . . 485 ILE HG12 . 7174 1 496 . 1 1 57 57 ILE HG13 H 1 1.170 0.02 . 1 . . . . 485 ILE HG13 . 7174 1 497 . 1 1 57 57 ILE HG21 H 1 0.594 0.02 . 1 . . . . 485 ILE QG2 . 7174 1 498 . 1 1 57 57 ILE HG22 H 1 0.594 0.02 . 1 . . . . 485 ILE QG2 . 7174 1 499 . 1 1 57 57 ILE HG23 H 1 0.594 0.02 . 1 . . . . 485 ILE QG2 . 7174 1 500 . 1 1 57 57 ILE HD11 H 1 0.950 0.02 . 1 . . . . 485 ILE QD1 . 7174 1 501 . 1 1 57 57 ILE HD12 H 1 0.950 0.02 . 1 . . . . 485 ILE QD1 . 7174 1 502 . 1 1 57 57 ILE HD13 H 1 0.950 0.02 . 1 . . . . 485 ILE QD1 . 7174 1 503 . 1 1 57 57 ILE CA C 13 57.894 0.15 . 1 . . . . 485 ILE CA . 7174 1 504 . 1 1 57 57 ILE CD1 C 13 13.530 0.15 . 1 . . . . 485 ILE CD1 . 7174 1 505 . 1 1 57 57 ILE N N 15 121.546 0.12 . 1 . . . . 485 ILE N . 7174 1 506 . 1 1 58 58 VAL H H 1 8.550 0.02 . 1 . . . . 486 VAL H . 7174 1 507 . 1 1 58 58 VAL HA H 1 4.081 0.02 . 1 . . . . 486 VAL HA . 7174 1 508 . 1 1 58 58 VAL HB H 1 1.366 0.02 . 1 . . . . 486 VAL HB . 7174 1 509 . 1 1 58 58 VAL HG11 H 1 0.591 0.02 . 2 . . . . 486 VAL QG1 . 7174 1 510 . 1 1 58 58 VAL HG12 H 1 0.591 0.02 . 2 . . . . 486 VAL QG1 . 7174 1 511 . 1 1 58 58 VAL HG13 H 1 0.591 0.02 . 2 . . . . 486 VAL QG1 . 7174 1 512 . 1 1 58 58 VAL HG21 H 1 0.334 0.02 . 2 . . . . 486 VAL QG2 . 7174 1 513 . 1 1 58 58 VAL HG22 H 1 0.334 0.02 . 2 . . . . 486 VAL QG2 . 7174 1 514 . 1 1 58 58 VAL HG23 H 1 0.334 0.02 . 2 . . . . 486 VAL QG2 . 7174 1 515 . 1 1 58 58 VAL CA C 13 60.411 0.15 . 1 . . . . 486 VAL CA . 7174 1 516 . 1 1 58 58 VAL CB C 13 35.350 0.15 . 1 . . . . 486 VAL CB . 7174 1 517 . 1 1 58 58 VAL CG1 C 13 22.830 0.15 . 1 . . . . 486 VAL CG1 . 7174 1 518 . 1 1 58 58 VAL CG2 C 13 19.931 0.15 . 1 . . . . 486 VAL CG2 . 7174 1 519 . 1 1 58 58 VAL N N 15 125.658 0.12 . 1 . . . . 486 VAL N . 7174 1 520 . 1 1 59 59 LEU H H 1 8.130 0.02 . 1 . . . . 487 LEU H . 7174 1 521 . 1 1 59 59 LEU HA H 1 4.420 0.02 . 1 . . . . 487 LEU HA . 7174 1 522 . 1 1 59 59 LEU HB2 H 1 1.440 0.02 . 1 . . . . 487 LEU HB2 . 7174 1 523 . 1 1 59 59 LEU HB3 H 1 1.440 0.02 . 1 . . . . 487 LEU HB3 . 7174 1 524 . 1 1 59 59 LEU HD11 H 1 0.450 0.02 . 2 . . . . 487 LEU QD1 . 7174 1 525 . 1 1 59 59 LEU HD12 H 1 0.450 0.02 . 2 . . . . 487 LEU QD1 . 7174 1 526 . 1 1 59 59 LEU HD13 H 1 0.450 0.02 . 2 . . . . 487 LEU QD1 . 7174 1 527 . 1 1 59 59 LEU HD21 H 1 0.300 0.02 . 2 . . . . 487 LEU QD2 . 7174 1 528 . 1 1 59 59 LEU HD22 H 1 0.300 0.02 . 2 . . . . 487 LEU QD2 . 7174 1 529 . 1 1 59 59 LEU HD23 H 1 0.300 0.02 . 2 . . . . 487 LEU QD2 . 7174 1 530 . 1 1 59 59 LEU CA C 13 55.516 0.15 . 1 . . . . 487 LEU CA . 7174 1 531 . 1 1 59 59 LEU CD1 C 13 25.778 0.15 . 1 . . . . 487 LEU CD1 . 7174 1 532 . 1 1 59 59 LEU CD2 C 13 23.034 0.15 . 1 . . . . 487 LEU CD2 . 7174 1 533 . 1 1 59 59 LEU N N 15 134.141 0.12 . 1 . . . . 487 LEU N . 7174 1 534 . 1 1 60 60 THR H H 1 8.940 0.02 . 1 . . . . 488 THR H . 7174 1 535 . 1 1 60 60 THR HA H 1 3.984 0.02 . 1 . . . . 488 THR HA . 7174 1 536 . 1 1 60 60 THR HB H 1 3.357 0.02 . 1 . . . . 488 THR HB . 7174 1 537 . 1 1 60 60 THR HG21 H 1 0.500 0.02 . 1 . . . . 488 THR QG2 . 7174 1 538 . 1 1 60 60 THR HG22 H 1 0.500 0.02 . 1 . . . . 488 THR QG2 . 7174 1 539 . 1 1 60 60 THR HG23 H 1 0.500 0.02 . 1 . . . . 488 THR QG2 . 7174 1 540 . 1 1 60 60 THR CA C 13 63.535 0.15 . 1 . . . . 488 THR CA . 7174 1 541 . 1 1 60 60 THR CB C 13 69.701 0.15 . 1 . . . . 488 THR CB . 7174 1 542 . 1 1 60 60 THR N N 15 125.401 0.12 . 1 . . . . 488 THR N . 7174 1 543 . 1 1 61 61 TYR H H 1 8.250 0.02 . 1 . . . . 489 TYR H . 7174 1 544 . 1 1 61 61 TYR HA H 1 4.677 0.02 . 1 . . . . 489 TYR HA . 7174 1 545 . 1 1 61 61 TYR HB2 H 1 2.777 0.02 . 2 . . . . 489 TYR HB2 . 7174 1 546 . 1 1 61 61 TYR HB3 H 1 3.141 0.02 . 2 . . . . 489 TYR HB3 . 7174 1 547 . 1 1 61 61 TYR HD1 H 1 7.020 0.02 . 1 . . . . 489 TYR HD1 . 7174 1 548 . 1 1 61 61 TYR HD2 H 1 7.020 0.02 . 1 . . . . 489 TYR HD2 . 7174 1 549 . 1 1 61 61 TYR HE1 H 1 6.700 0.02 . 1 . . . . 489 TYR HE1 . 7174 1 550 . 1 1 61 61 TYR HE2 H 1 6.700 0.02 . 1 . . . . 489 TYR HE2 . 7174 1 551 . 1 1 61 61 TYR CA C 13 56.122 0.15 . 1 . . . . 489 TYR CA . 7174 1 552 . 1 1 61 61 TYR N N 15 122.831 0.12 . 1 . . . . 489 TYR N . 7174 1 553 . 1 1 62 62 PHE H H 1 9.200 0.02 . 1 . . . . 490 PHE H . 7174 1 554 . 1 1 62 62 PHE HA H 1 5.353 0.02 . 1 . . . . 490 PHE HA . 7174 1 555 . 1 1 62 62 PHE HB2 H 1 2.943 0.02 . 2 . . . . 490 PHE HB2 . 7174 1 556 . 1 1 62 62 PHE HB3 H 1 3.129 0.02 . 2 . . . . 490 PHE HB3 . 7174 1 557 . 1 1 62 62 PHE HD1 H 1 7.290 0.02 . 1 . . . . 490 PHE HD1 . 7174 1 558 . 1 1 62 62 PHE HD2 H 1 7.290 0.02 . 1 . . . . 490 PHE HD2 . 7174 1 559 . 1 1 62 62 PHE HE1 H 1 7.230 0.02 . 1 . . . . 490 PHE HE1 . 7174 1 560 . 1 1 62 62 PHE HE2 H 1 7.230 0.02 . 1 . . . . 490 PHE HE2 . 7174 1 561 . 1 1 62 62 PHE HZ H 1 7.390 0.02 . 1 . . . . 490 PHE HZ . 7174 1 562 . 1 1 62 62 PHE CA C 13 54.491 0.15 . 1 . . . . 490 PHE CA . 7174 1 563 . 1 1 62 62 PHE N N 15 122.574 0.12 . 1 . . . . 490 PHE N . 7174 1 564 . 1 1 63 63 PRO HD2 H 1 3.345 0.02 . 2 . . . . 491 PRO HD2 . 7174 1 565 . 1 1 63 63 PRO HD3 H 1 3.611 0.02 . 2 . . . . 491 PRO HD3 . 7174 1 stop_ save_