data_6097 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6097 _Entry.Title ; Proton chemical shift assignments for human spliceosomal protein U1C zinc finger domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-10 _Entry.Accession_date 2004-02-10 _Entry.Last_release_date 2004-09-28 _Entry.Original_release_date 2004-09-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Yutaka Muto . . . 6097 2 Daniel 'Pomeranz Krummel' . . . 6097 3 Chris Oubridge . . . 6097 4 Helena Hernandez . . . 6097 5 Carol Robinson . V. . 6097 6 David Neuhaus . . . 6097 7 Kiyoshi Nagai . . . 6097 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6097 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 377 6097 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 . . 2004-09-28 2004-02-10 original author . 6097 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6097 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15312772 _Citation.Full_citation . _Citation.Title 'The structure and biochemical properties of the human spliceosomal protein U1C' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 341 _Citation.Journal_issue 1 _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 185 _Citation.Page_last 198 _Citation.Year 2004 _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 Yutaka Muto . . . 6097 1 2 Daniel 'Pomeranz Krummel' . . . 6097 1 3 Chris Oubridge . . . 6097 1 4 Helena Hernandez . . . 6097 1 5 Carol Robinson . V. . 6097 1 6 David Neuhaus . . . 6097 1 7 Kiyoshi Nagai . . . 6097 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_U1C_zinc_finger_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode U1C_zinc_finger_domain _Assembly.Entry_ID 6097 _Assembly.ID 1 _Assembly.Name 'U1C zinc finger domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _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 monomer 6097 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 'U1C zinc finger domain' 1 $U1C_protein . . . native . . . . . 6097 1 2 'ZINC (II) ION' 2 $ZN . . . native . . . . . 6097 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'U1C zinc finger domain' system 6097 1 'U1C zinc finger domain' abbreviation 6097 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_U1C_protein _Entity.Sf_category entity _Entity.Sf_framecode U1C_protein _Entity.Entry_ID 6097 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'U1C protein' _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 ; MPKFYCDYCDTYLTHDSPSV RKTHCSGRKHKENVKDYYQK WMEEQAQSLIDKTTAAFQQG K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _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 2015-01-28 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 2VRD . "The Structure Of The Zinc Finger From The Human Spliceosomal Protein U1c" . . . . . 100.00 61 100.00 100.00 1.33e-37 . . . . 6097 1 2 no PDB 3CW1 . "Crystal Structure Of Human Spliceosomal U1 Snrnp" . . . . . 100.00 77 98.36 98.36 1.95e-36 . . . . 6097 1 3 no PDB 4PJO . "Minimal U1 Snrnp" . . . . . 100.00 61 100.00 100.00 1.33e-37 . . . . 6097 1 4 no DBJ BAE02052 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 198 100.00 100.00 2.70e-38 . . . . 6097 1 5 no DBJ BAE23273 . "unnamed protein product [Mus musculus]" . . . . . 100.00 159 100.00 100.00 2.29e-40 . . . . 6097 1 6 no DBJ BAE40776 . "unnamed protein product [Mus musculus]" . . . . . 100.00 159 100.00 100.00 2.29e-40 . . . . 6097 1 7 no DBJ BAG34895 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 159 100.00 100.00 2.52e-40 . . . . 6097 1 8 no DBJ BAI46833 . "small nuclear ribonucleoprotein polypeptide C [synthetic construct]" . . . . . 96.72 180 98.31 100.00 8.74e-38 . . . . 6097 1 9 no EMBL CAA31037 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 159 100.00 100.00 2.52e-40 . . . . 6097 1 10 no EMBL CAA45354 . "snRNP C [Xenopus laevis]" . . . . . 100.00 159 100.00 100.00 3.72e-40 . . . . 6097 1 11 no EMBL CAA65542 . "U1 snRNP-specific protein C [Mus musculus]" . . . . . 100.00 159 100.00 100.00 2.29e-40 . . . . 6097 1 12 no EMBL CAG11833 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 100.00 147 100.00 100.00 9.83e-40 . . . . 6097 1 13 no EMBL CBN80717 . "U1 small nuclear ribonucleoprotein C [Dicentrarchus labrax]" . . . . . 100.00 246 100.00 100.00 9.59e-37 . . . . 6097 1 14 no GB AAA36618 . "ribonucleoprotein, partial [Homo sapiens]" . . . . . 59.02 106 97.22 97.22 1.71e-14 . . . . 6097 1 15 no GB AAB08894 . "U1 snRNP-specific protein C [Mus musculus]" . . . . . 100.00 159 100.00 100.00 2.29e-40 . . . . 6097 1 16 no GB AAH08243 . "U1 small nuclear ribonucleoprotein C [Mus musculus]" . . . . . 100.00 159 100.00 100.00 2.29e-40 . . . . 6097 1 17 no GB AAH84206 . "Snrp1c protein [Xenopus laevis]" . . . . . 100.00 159 100.00 100.00 3.72e-40 . . . . 6097 1 18 no GB AAH91442 . "Small nuclear ribonucleoprotein polypeptide C [Danio rerio]" . . . . . 100.00 159 100.00 100.00 4.98e-40 . . . . 6097 1 19 no PIR I56013 . "ribonucleoprotein - human (fragment)" . . . . . 59.02 106 97.22 97.22 1.71e-14 . . . . 6097 1 20 no REF NP_001016598 . "U1 small nuclear ribonucleoprotein C [Xenopus (Silurana) tropicalis]" . . . . . 100.00 159 100.00 100.00 3.37e-40 . . . . 6097 1 21 no REF NP_001069802 . "U1 small nuclear ribonucleoprotein C [Bos taurus]" . . . . . 100.00 159 98.36 98.36 1.32e-39 . . . . 6097 1 22 no REF NP_001084130 . "U1 small nuclear ribonucleoprotein C [Xenopus laevis]" . . . . . 100.00 159 100.00 100.00 3.72e-40 . . . . 6097 1 23 no REF NP_001158541 . "U1 small nuclear ribonucleoprotein C [Oncorhynchus mykiss]" . . . . . 100.00 157 100.00 100.00 1.23e-39 . . . . 6097 1 24 no REF NP_001177132 . "small nuclear ribonucleoprotein polypeptide C [Sus scrofa]" . . . . . 100.00 159 100.00 100.00 2.52e-40 . . . . 6097 1 25 no SP B0JYS7 . "RecName: Full=U1 small nuclear ribonucleoprotein C; Short=U1 snRNP C; Short=U1-C; Short=U1C [Xenopus (Silurana) tropicalis]" . . . . . 100.00 159 100.00 100.00 3.37e-40 . . . . 6097 1 26 no SP D3ZCL3 . "RecName: Full=U1 small nuclear ribonucleoprotein C; Short=U1 snRNP C; Short=U1-C; Short=U1C [Rattus norvegicus]" . . . . . 100.00 159 100.00 100.00 2.29e-40 . . . . 6097 1 27 no SP E1C6F0 . "RecName: Full=U1 small nuclear ribonucleoprotein C; Short=U1 snRNP C; Short=U1-C; Short=U1C [Gallus gallus]" . . . . . 100.00 159 100.00 100.00 2.81e-40 . . . . 6097 1 28 no SP E2RGI3 . "RecName: Full=U1 small nuclear ribonucleoprotein C; Short=U1 snRNP C; Short=U1-C; Short=U1C [Canis lupus familiaris]" . . . . . 100.00 159 100.00 100.00 2.52e-40 . . . . 6097 1 29 no SP F6TFD9 . "RecName: Full=U1 small nuclear ribonucleoprotein C; Short=U1 snRNP C; Short=U1-C; Short=U1C [Macaca mulatta]" . . . . . 100.00 159 100.00 100.00 2.52e-40 . . . . 6097 1 30 no TPG DAA16701 . "TPA: U1 small nuclear ribonucleoprotein C [Bos taurus]" . . . . . 100.00 159 100.00 100.00 2.52e-40 . . . . 6097 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'U1C protein' common 6097 1 'U1C protein' abbreviation 6097 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 . MET . 6097 1 2 . PRO . 6097 1 3 . LYS . 6097 1 4 . PHE . 6097 1 5 . TYR . 6097 1 6 . CYS . 6097 1 7 . ASP . 6097 1 8 . TYR . 6097 1 9 . CYS . 6097 1 10 . ASP . 6097 1 11 . THR . 6097 1 12 . TYR . 6097 1 13 . LEU . 6097 1 14 . THR . 6097 1 15 . HIS . 6097 1 16 . ASP . 6097 1 17 . SER . 6097 1 18 . PRO . 6097 1 19 . SER . 6097 1 20 . VAL . 6097 1 21 . ARG . 6097 1 22 . LYS . 6097 1 23 . THR . 6097 1 24 . HIS . 6097 1 25 . CYS . 6097 1 26 . SER . 6097 1 27 . GLY . 6097 1 28 . ARG . 6097 1 29 . LYS . 6097 1 30 . HIS . 6097 1 31 . LYS . 6097 1 32 . GLU . 6097 1 33 . ASN . 6097 1 34 . VAL . 6097 1 35 . LYS . 6097 1 36 . ASP . 6097 1 37 . TYR . 6097 1 38 . TYR . 6097 1 39 . GLN . 6097 1 40 . LYS . 6097 1 41 . TRP . 6097 1 42 . MET . 6097 1 43 . GLU . 6097 1 44 . GLU . 6097 1 45 . GLN . 6097 1 46 . ALA . 6097 1 47 . GLN . 6097 1 48 . SER . 6097 1 49 . LEU . 6097 1 50 . ILE . 6097 1 51 . ASP . 6097 1 52 . LYS . 6097 1 53 . THR . 6097 1 54 . THR . 6097 1 55 . ALA . 6097 1 56 . ALA . 6097 1 57 . PHE . 6097 1 58 . GLN . 6097 1 59 . GLN . 6097 1 60 . GLY . 6097 1 61 . LYS . 6097 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 . MET 1 1 6097 1 . PRO 2 2 6097 1 . LYS 3 3 6097 1 . PHE 4 4 6097 1 . TYR 5 5 6097 1 . CYS 6 6 6097 1 . ASP 7 7 6097 1 . TYR 8 8 6097 1 . CYS 9 9 6097 1 . ASP 10 10 6097 1 . THR 11 11 6097 1 . TYR 12 12 6097 1 . LEU 13 13 6097 1 . THR 14 14 6097 1 . HIS 15 15 6097 1 . ASP 16 16 6097 1 . SER 17 17 6097 1 . PRO 18 18 6097 1 . SER 19 19 6097 1 . VAL 20 20 6097 1 . ARG 21 21 6097 1 . LYS 22 22 6097 1 . THR 23 23 6097 1 . HIS 24 24 6097 1 . CYS 25 25 6097 1 . SER 26 26 6097 1 . GLY 27 27 6097 1 . ARG 28 28 6097 1 . LYS 29 29 6097 1 . HIS 30 30 6097 1 . LYS 31 31 6097 1 . GLU 32 32 6097 1 . ASN 33 33 6097 1 . VAL 34 34 6097 1 . LYS 35 35 6097 1 . ASP 36 36 6097 1 . TYR 37 37 6097 1 . TYR 38 38 6097 1 . GLN 39 39 6097 1 . LYS 40 40 6097 1 . TRP 41 41 6097 1 . MET 42 42 6097 1 . GLU 43 43 6097 1 . GLU 44 44 6097 1 . GLN 45 45 6097 1 . ALA 46 46 6097 1 . GLN 47 47 6097 1 . SER 48 48 6097 1 . LEU 49 49 6097 1 . ILE 50 50 6097 1 . ASP 51 51 6097 1 . LYS 52 52 6097 1 . THR 53 53 6097 1 . THR 54 54 6097 1 . ALA 55 55 6097 1 . ALA 56 56 6097 1 . PHE 57 57 6097 1 . GLN 58 58 6097 1 . GLN 59 59 6097 1 . GLY 60 60 6097 1 . LYS 61 61 6097 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6097 _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 2 _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 . 6097 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 6097 _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 $U1C_protein . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6097 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 6097 _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 $U1C_protein . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli B834(DE3) . . . . . . . . . . . . plasmid . . pET3b . . . . . . 6097 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 6097 _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 Mon Jun 20 12:12:44 2011 ; _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 [Zn+2] SMILES ACDLabs 10.04 6097 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6097 ZN [Zn++] SMILES CACTVS 3.341 6097 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6097 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6097 ZN InChI=1S/Zn/q+2 InChI InChI 1.03 6097 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6097 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 6097 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6097 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 . 6097 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6097 _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 'U1C protein' . . . 1 $U1C_protein . . . 0.8 1.0 mM . . . . 6097 1 2 'potassium phosphate' . . . . . . . 20 . . mM . . . . 6097 1 3 'magnesium sulphate' . . . . . . . 100 . . mM . . . . 6097 1 4 'sodium bromide' . . . . . . . 400 . . mM . . . . 6097 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6097 _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 6.5 0.2 n/a 6097 1 temperature 298 1 K 6097 1 stop_ save_ ############################ # Computer software used # ############################ save_xwin-nmr _Software.Sf_category software _Software.Sf_framecode xwin-nmr _Software.Entry_ID 6097 _Software.ID 1 _Software.Name xwin-nmr _Software.Version 3.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6097 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 6097 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID analysis 6097 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6097 _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_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6097 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker Avance . 800 . . . 6097 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6097 _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 TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6097 1 2 DQF-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6097 1 3 NOESY . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 6097 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6097 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name TOCSY _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 $NMR_spectrometer _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_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6097 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name DQF-COSY _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 $NMR_spectrometer _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_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6097 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 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 $NMR_spectrometer _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_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6097 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6097 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6097 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6097 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 PRO HA H 1 4.54 0.01 . 1 . . . . . . . . 6097 1 2 . 1 1 2 2 PRO HB2 H 1 2.59 0.01 . 2 . . . . . . . . 6097 1 3 . 1 1 2 2 PRO HB3 H 1 2.15 0.01 . 2 . . . . . . . . 6097 1 4 . 1 1 2 2 PRO HG2 H 1 2.17 0.01 . 2 . . . . . . . . 6097 1 5 . 1 1 2 2 PRO HG3 H 1 2.15 0.01 . 2 . . . . . . . . 6097 1 6 . 1 1 2 2 PRO HD2 H 1 3.49 0.01 . 2 . . . . . . . . 6097 1 7 . 1 1 2 2 PRO HD3 H 1 3.59 0.01 . 2 . . . . . . . . 6097 1 8 . 1 1 3 3 LYS H H 1 8.64 0.01 . 1 . . . . . . . . 6097 1 9 . 1 1 3 3 LYS HA H 1 4.62 0.01 . 1 . . . . . . . . 6097 1 10 . 1 1 3 3 LYS HB2 H 1 1.90 0.01 . 2 . . . . . . . . 6097 1 11 . 1 1 3 3 LYS HB3 H 1 1.81 0.01 . 2 . . . . . . . . 6097 1 12 . 1 1 3 3 LYS HD2 H 1 1.53 0.01 . 2 . . . . . . . . 6097 1 13 . 1 1 3 3 LYS HG2 H 1 1.45 0.01 . 2 . . . . . . . . 6097 1 14 . 1 1 3 3 LYS HE2 H 1 2.83 0.01 . 2 . . . . . . . . 6097 1 15 . 1 1 4 4 PHE H H 1 8.56 0.01 . 1 . . . . . . . . 6097 1 16 . 1 1 4 4 PHE HA H 1 4.81 0.01 . 1 . . . . . . . . 6097 1 17 . 1 1 4 4 PHE HB2 H 1 2.75 0.01 . 1 . . . . . . . . 6097 1 18 . 1 1 4 4 PHE HB3 H 1 3.11 0.01 . 1 . . . . . . . . 6097 1 19 . 1 1 4 4 PHE HD1 H 1 7.05 0.01 . 1 . . . . . . . . 6097 1 20 . 1 1 4 4 PHE HD2 H 1 7.05 0.01 . 1 . . . . . . . . 6097 1 21 . 1 1 4 4 PHE HE1 H 1 7.09 0.01 . 1 . . . . . . . . 6097 1 22 . 1 1 4 4 PHE HE2 H 1 7.09 0.01 . 1 . . . . . . . . 6097 1 23 . 1 1 4 4 PHE HZ H 1 7.18 0.01 . 1 . . . . . . . . 6097 1 24 . 1 1 5 5 TYR H H 1 8.12 0.01 . 1 . . . . . . . . 6097 1 25 . 1 1 5 5 TYR HA H 1 4.40 0.01 . 1 . . . . . . . . 6097 1 26 . 1 1 5 5 TYR HB2 H 1 2.40 0.01 . 1 . . . . . . . . 6097 1 27 . 1 1 5 5 TYR HB3 H 1 2.51 0.01 . 1 . . . . . . . . 6097 1 28 . 1 1 5 5 TYR HD1 H 1 5.83 0.01 . 1 . . . . . . . . 6097 1 29 . 1 1 5 5 TYR HD2 H 1 5.83 0.01 . 1 . . . . . . . . 6097 1 30 . 1 1 5 5 TYR HE1 H 1 6.39 0.01 . 1 . . . . . . . . 6097 1 31 . 1 1 5 5 TYR HE2 H 1 6.39 0.01 . 1 . . . . . . . . 6097 1 32 . 1 1 6 6 CYS H H 1 7.76 0.01 . 1 . . . . . . . . 6097 1 33 . 1 1 6 6 CYS HA H 1 4.24 0.01 . 1 . . . . . . . . 6097 1 34 . 1 1 6 6 CYS HB2 H 1 2.61 0.01 . 1 . . . . . . . . 6097 1 35 . 1 1 6 6 CYS HB3 H 1 2.32 0.01 . 1 . . . . . . . . 6097 1 36 . 1 1 7 7 ASP H H 1 8.56 0.01 . 1 . . . . . . . . 6097 1 37 . 1 1 7 7 ASP HA H 1 3.97 0.01 . 1 . . . . . . . . 6097 1 38 . 1 1 7 7 ASP HB2 H 1 2.12 0.01 . 1 . . . . . . . . 6097 1 39 . 1 1 7 7 ASP HB3 H 1 2.24 0.01 . 1 . . . . . . . . 6097 1 40 . 1 1 8 8 TYR H H 1 7.69 0.01 . 1 . . . . . . . . 6097 1 41 . 1 1 8 8 TYR HA H 1 4.03 0.01 . 1 . . . . . . . . 6097 1 42 . 1 1 8 8 TYR HB2 H 1 2.57 0.01 . 1 . . . . . . . . 6097 1 43 . 1 1 8 8 TYR HB3 H 1 2.55 0.01 . 1 . . . . . . . . 6097 1 44 . 1 1 8 8 TYR HD1 H 1 6.85 0.01 . 1 . . . . . . . . 6097 1 45 . 1 1 8 8 TYR HD2 H 1 6.85 0.01 . 1 . . . . . . . . 6097 1 46 . 1 1 8 8 TYR HE1 H 1 6.53 0.01 . 1 . . . . . . . . 6097 1 47 . 1 1 8 8 TYR HE2 H 1 6.53 0.01 . 1 . . . . . . . . 6097 1 48 . 1 1 9 9 CYS H H 1 8.37 0.01 . 1 . . . . . . . . 6097 1 49 . 1 1 9 9 CYS HA H 1 4.25 0.01 . 1 . . . . . . . . 6097 1 50 . 1 1 9 9 CYS HB2 H 1 3.23 0.01 . 1 . . . . . . . . 6097 1 51 . 1 1 9 9 CYS HB3 H 1 2.67 0.01 . 1 . . . . . . . . 6097 1 52 . 1 1 10 10 ASP H H 1 8.06 0.01 . 1 . . . . . . . . 6097 1 53 . 1 1 10 10 ASP HA H 1 4.04 0.01 . 1 . . . . . . . . 6097 1 54 . 1 1 10 10 ASP HB3 H 1 2.47 0.01 . 1 . . . . . . . . 6097 1 55 . 1 1 10 10 ASP HB2 H 1 3.17 0.01 . 1 . . . . . . . . 6097 1 56 . 1 1 11 11 THR H H 1 6.72 0.01 . 1 . . . . . . . . 6097 1 57 . 1 1 11 11 THR HA H 1 4.68 0.01 . 1 . . . . . . . . 6097 1 58 . 1 1 11 11 THR HB H 1 3.69 0.01 . 1 . . . . . . . . 6097 1 59 . 1 1 11 11 THR HG21 H 1 0.99 0.01 . 1 . . . . . . . . 6097 1 60 . 1 1 11 11 THR HG22 H 1 0.99 0.01 . 1 . . . . . . . . 6097 1 61 . 1 1 11 11 THR HG23 H 1 0.99 0.01 . 1 . . . . . . . . 6097 1 62 . 1 1 12 12 TYR H H 1 8.51 0.01 . 1 . . . . . . . . 6097 1 63 . 1 1 12 12 TYR HA H 1 5.26 0.01 . 1 . . . . . . . . 6097 1 64 . 1 1 12 12 TYR HB2 H 1 2.74 0.01 . 1 . . . . . . . . 6097 1 65 . 1 1 12 12 TYR HB3 H 1 2.93 0.01 . 1 . . . . . . . . 6097 1 66 . 1 1 12 12 TYR HD1 H 1 7.12 0.01 . 1 . . . . . . . . 6097 1 67 . 1 1 12 12 TYR HD2 H 1 7.12 0.01 . 1 . . . . . . . . 6097 1 68 . 1 1 12 12 TYR HE1 H 1 6.78 0.01 . 1 . . . . . . . . 6097 1 69 . 1 1 12 12 TYR HE2 H 1 6.78 0.01 . 1 . . . . . . . . 6097 1 70 . 1 1 13 13 LEU H H 1 9.41 0.01 . 1 . . . . . . . . 6097 1 71 . 1 1 13 13 LEU HA H 1 4.83 0.01 . 1 . . . . . . . . 6097 1 72 . 1 1 13 13 LEU HB2 H 1 1.81 0.01 . 1 . . . . . . . . 6097 1 73 . 1 1 13 13 LEU HB3 H 1 1.78 0.01 . 1 . . . . . . . . 6097 1 74 . 1 1 13 13 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 6097 1 75 . 1 1 13 13 LEU HD11 H 1 0.75 0.01 . 1 . . . . . . . . 6097 1 76 . 1 1 13 13 LEU HD12 H 1 0.75 0.01 . 1 . . . . . . . . 6097 1 77 . 1 1 13 13 LEU HD13 H 1 0.75 0.01 . 1 . . . . . . . . 6097 1 78 . 1 1 13 13 LEU HD21 H 1 0.74 0.01 . 1 . . . . . . . . 6097 1 79 . 1 1 13 13 LEU HD22 H 1 0.74 0.01 . 1 . . . . . . . . 6097 1 80 . 1 1 13 13 LEU HD23 H 1 0.74 0.01 . 1 . . . . . . . . 6097 1 81 . 1 1 14 14 THR H H 1 8.39 0.01 . 1 . . . . . . . . 6097 1 82 . 1 1 14 14 THR HA H 1 4.02 0.01 . 1 . . . . . . . . 6097 1 83 . 1 1 14 14 THR HB H 1 4.17 0.01 . 1 . . . . . . . . 6097 1 84 . 1 1 14 14 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 6097 1 85 . 1 1 14 14 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 6097 1 86 . 1 1 14 14 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 6097 1 87 . 1 1 15 15 HIS H H 1 8.13 0.01 . 1 . . . . . . . . 6097 1 88 . 1 1 15 15 HIS HA H 1 4.77 0.01 . 1 . . . . . . . . 6097 1 89 . 1 1 15 15 HIS HB2 H 1 3.33 0.01 . 1 . . . . . . . . 6097 1 90 . 1 1 15 15 HIS HB3 H 1 3.17 0.01 . 1 . . . . . . . . 6097 1 91 . 1 1 15 15 HIS HD2 H 1 7.29 0.01 . 1 . . . . . . . . 6097 1 92 . 1 1 15 15 HIS HE1 H 1 8.45 0.01 . 1 . . . . . . . . 6097 1 93 . 1 1 16 16 ASP H H 1 8.16 0.01 . 1 . . . . . . . . 6097 1 94 . 1 1 16 16 ASP HA H 1 4.43 0.01 . 1 . . . . . . . . 6097 1 95 . 1 1 16 16 ASP HB2 H 1 2.56 0.01 . 1 . . . . . . . . 6097 1 96 . 1 1 16 16 ASP HB3 H 1 2.56 0.01 . 1 . . . . . . . . 6097 1 97 . 1 1 17 17 SER H H 1 7.57 0.01 . 1 . . . . . . . . 6097 1 98 . 1 1 17 17 SER HA H 1 4.87 0.01 . 1 . . . . . . . . 6097 1 99 . 1 1 17 17 SER HB2 H 1 4.26 0.01 . 2 . . . . . . . . 6097 1 100 . 1 1 17 17 SER HB3 H 1 4.06 0.01 . 2 . . . . . . . . 6097 1 101 . 1 1 18 18 PRO HA H 1 4.25 0.01 . 1 . . . . . . . . 6097 1 102 . 1 1 18 18 PRO HB2 H 1 2.07 0.01 . 1 . . . . . . . . 6097 1 103 . 1 1 18 18 PRO HB3 H 1 2.46 0.01 . 1 . . . . . . . . 6097 1 104 . 1 1 18 18 PRO HG2 H 1 2.26 0.01 . 1 . . . . . . . . 6097 1 105 . 1 1 18 18 PRO HG3 H 1 2.33 0.01 . 1 . . . . . . . . 6097 1 106 . 1 1 18 18 PRO HD2 H 1 3.38 0.01 . 1 . . . . . . . . 6097 1 107 . 1 1 18 18 PRO HD3 H 1 3.32 0.01 . 1 . . . . . . . . 6097 1 108 . 1 1 19 19 SER H H 1 8.23 0.01 . 1 . . . . . . . . 6097 1 109 . 1 1 19 19 SER HA H 1 4.28 0.01 . 1 . . . . . . . . 6097 1 110 . 1 1 19 19 SER HB2 H 1 3.94 0.01 . 2 . . . . . . . . 6097 1 111 . 1 1 20 20 VAL H H 1 7.60 0.01 . 1 . . . . . . . . 6097 1 112 . 1 1 20 20 VAL HA H 1 3.81 0.01 . 1 . . . . . . . . 6097 1 113 . 1 1 20 20 VAL HB H 1 2.17 0.01 . 1 . . . . . . . . 6097 1 114 . 1 1 20 20 VAL HG11 H 1 1.08 0.01 . 1 . . . . . . . . 6097 1 115 . 1 1 20 20 VAL HG12 H 1 1.08 0.01 . 1 . . . . . . . . 6097 1 116 . 1 1 20 20 VAL HG13 H 1 1.08 0.01 . 1 . . . . . . . . 6097 1 117 . 1 1 20 20 VAL HG21 H 1 1.13 0.01 . 1 . . . . . . . . 6097 1 118 . 1 1 20 20 VAL HG22 H 1 1.13 0.01 . 1 . . . . . . . . 6097 1 119 . 1 1 20 20 VAL HG23 H 1 1.13 0.01 . 1 . . . . . . . . 6097 1 120 . 1 1 21 21 ARG H H 1 8.18 0.01 . 1 . . . . . . . . 6097 1 121 . 1 1 21 21 ARG HA H 1 3.64 0.01 . 1 . . . . . . . . 6097 1 122 . 1 1 21 21 ARG HB2 H 1 1.68 0.01 . 1 . . . . . . . . 6097 1 123 . 1 1 21 21 ARG HB3 H 1 1.78 0.01 . 1 . . . . . . . . 6097 1 124 . 1 1 21 21 ARG HG2 H 1 1.49 0.01 . 2 . . . . . . . . 6097 1 125 . 1 1 21 21 ARG HG3 H 1 1.75 0.01 . 2 . . . . . . . . 6097 1 126 . 1 1 21 21 ARG HD2 H 1 2.72 0.01 . 2 . . . . . . . . 6097 1 127 . 1 1 22 22 LYS H H 1 8.21 0.01 . 1 . . . . . . . . 6097 1 128 . 1 1 22 22 LYS HA H 1 4.00 0.01 . 1 . . . . . . . . 6097 1 129 . 1 1 22 22 LYS HB2 H 1 1.70 0.01 . 2 . . . . . . . . 6097 1 130 . 1 1 22 22 LYS HG2 H 1 1.40 0.01 . 2 . . . . . . . . 6097 1 131 . 1 1 22 22 LYS HG3 H 1 1.50 0.01 . 2 . . . . . . . . 6097 1 132 . 1 1 22 22 LYS HD2 H 1 1.73 0.01 . 2 . . . . . . . . 6097 1 133 . 1 1 22 22 LYS HE2 H 1 2.93 0.01 . 2 . . . . . . . . 6097 1 134 . 1 1 22 22 LYS HE3 H 1 2.98 0.01 . 2 . . . . . . . . 6097 1 135 . 1 1 23 23 THR H H 1 8.37 0.01 . 1 . . . . . . . . 6097 1 136 . 1 1 23 23 THR HA H 1 4.29 0.01 . 1 . . . . . . . . 6097 1 137 . 1 1 23 23 THR HB H 1 3.89 0.01 . 1 . . . . . . . . 6097 1 138 . 1 1 23 23 THR HG21 H 1 1.31 0.01 . 1 . . . . . . . . 6097 1 139 . 1 1 23 23 THR HG22 H 1 1.31 0.01 . 1 . . . . . . . . 6097 1 140 . 1 1 23 23 THR HG23 H 1 1.31 0.01 . 1 . . . . . . . . 6097 1 141 . 1 1 24 24 HIS H H 1 8.30 0.01 . 1 . . . . . . . . 6097 1 142 . 1 1 24 24 HIS HA H 1 4.27 0.01 . 1 . . . . . . . . 6097 1 143 . 1 1 24 24 HIS HB2 H 1 3.32 0.01 . 1 . . . . . . . . 6097 1 144 . 1 1 24 24 HIS HB3 H 1 3.32 0.01 . 1 . . . . . . . . 6097 1 145 . 1 1 24 24 HIS HD2 H 1 6.81 0.01 . 1 . . . . . . . . 6097 1 146 . 1 1 24 24 HIS HE1 H 1 8.20 0.01 . 1 . . . . . . . . 6097 1 147 . 1 1 25 25 CYS H H 1 8.46 0.01 . 1 . . . . . . . . 6097 1 148 . 1 1 25 25 CYS HA H 1 4.75 0.01 . 1 . . . . . . . . 6097 1 149 . 1 1 25 25 CYS HB2 H 1 2.90 0.01 . 1 . . . . . . . . 6097 1 150 . 1 1 25 25 CYS HB3 H 1 2.82 0.01 . 1 . . . . . . . . 6097 1 151 . 1 1 26 26 SER H H 1 7.54 0.01 . 1 . . . . . . . . 6097 1 152 . 1 1 26 26 SER HA H 1 4.43 0.01 . 1 . . . . . . . . 6097 1 153 . 1 1 26 26 SER HB2 H 1 4.03 0.01 . 2 . . . . . . . . 6097 1 154 . 1 1 27 27 GLY H H 1 7.51 0.01 . 1 . . . . . . . . 6097 1 155 . 1 1 27 27 GLY HA2 H 1 4.02 0.01 . 1 . . . . . . . . 6097 1 156 . 1 1 27 27 GLY HA3 H 1 4.18 0.01 . 1 . . . . . . . . 6097 1 157 . 1 1 28 28 ARG H H 1 8.49 0.01 . 1 . . . . . . . . 6097 1 158 . 1 1 28 28 ARG HA H 1 3.93 0.01 . 1 . . . . . . . . 6097 1 159 . 1 1 28 28 ARG HB2 H 1 1.87 0.01 . 1 . . . . . . . . 6097 1 160 . 1 1 28 28 ARG HB3 H 1 2.00 0.01 . 1 . . . . . . . . 6097 1 161 . 1 1 28 28 ARG HG2 H 1 1.78 0.01 . 1 . . . . . . . . 6097 1 162 . 1 1 28 28 ARG HG3 H 1 1.66 0.01 . 1 . . . . . . . . 6097 1 163 . 1 1 28 28 ARG HD2 H 1 3.28 0.01 . 2 . . . . . . . . 6097 1 164 . 1 1 29 29 LYS H H 1 8.55 0.01 . 1 . . . . . . . . 6097 1 165 . 1 1 29 29 LYS HA H 1 4.05 0.01 . 1 . . . . . . . . 6097 1 166 . 1 1 29 29 LYS HB2 H 1 1.61 0.01 . 1 . . . . . . . . 6097 1 167 . 1 1 29 29 LYS HB3 H 1 1.91 0.01 . 1 . . . . . . . . 6097 1 168 . 1 1 29 29 LYS HG2 H 1 1.56 0.01 . 2 . . . . . . . . 6097 1 169 . 1 1 29 29 LYS HD2 H 1 1.85 0.01 . 2 . . . . . . . . 6097 1 170 . 1 1 29 29 LYS HE2 H 1 3.13 0.01 . 2 . . . . . . . . 6097 1 171 . 1 1 30 30 HIS H H 1 7.78 0.01 . 1 . . . . . . . . 6097 1 172 . 1 1 30 30 HIS HA H 1 4.11 0.01 . 1 . . . . . . . . 6097 1 173 . 1 1 30 30 HIS HB2 H 1 2.94 0.01 . 1 . . . . . . . . 6097 1 174 . 1 1 30 30 HIS HB3 H 1 2.22 0.01 . 1 . . . . . . . . 6097 1 175 . 1 1 30 30 HIS HD2 H 1 7.13 0.01 . 1 . . . . . . . . 6097 1 176 . 1 1 30 30 HIS HE1 H 1 8.28 0.01 . 1 . . . . . . . . 6097 1 177 . 1 1 31 31 LYS H H 1 7.95 0.01 . 1 . . . . . . . . 6097 1 178 . 1 1 31 31 LYS HA H 1 3.68 0.01 . 1 . . . . . . . . 6097 1 179 . 1 1 31 31 LYS HB2 H 1 1.92 0.01 . 1 . . . . . . . . 6097 1 180 . 1 1 31 31 LYS HB3 H 1 1.81 0.01 . 1 . . . . . . . . 6097 1 181 . 1 1 31 31 LYS HG2 H 1 1.47 0.01 . 2 . . . . . . . . 6097 1 182 . 1 1 31 31 LYS HD2 H 1 1.63 0.01 . 2 . . . . . . . . 6097 1 183 . 1 1 31 31 LYS HE2 H 1 2.94 0.01 . 2 . . . . . . . . 6097 1 184 . 1 1 32 32 GLU H H 1 8.52 0.01 . 1 . . . . . . . . 6097 1 185 . 1 1 32 32 GLU HA H 1 3.99 0.01 . 1 . . . . . . . . 6097 1 186 . 1 1 32 32 GLU HB2 H 1 2.12 0.01 . 1 . . . . . . . . 6097 1 187 . 1 1 32 32 GLU HB3 H 1 2.35 0.01 . 1 . . . . . . . . 6097 1 188 . 1 1 32 32 GLU HG2 H 1 2.47 0.01 . 2 . . . . . . . . 6097 1 189 . 1 1 33 33 ASN H H 1 8.10 0.01 . 1 . . . . . . . . 6097 1 190 . 1 1 33 33 ASN HA H 1 4.65 0.01 . 1 . . . . . . . . 6097 1 191 . 1 1 33 33 ASN HB2 H 1 2.62 0.01 . 1 . . . . . . . . 6097 1 192 . 1 1 33 33 ASN HB3 H 1 2.95 0.01 . 1 . . . . . . . . 6097 1 193 . 1 1 33 33 ASN HD21 H 1 7.27 0.01 . 2 . . . . . . . . 6097 1 194 . 1 1 33 33 ASN HD22 H 1 7.85 0.01 . 2 . . . . . . . . 6097 1 195 . 1 1 34 34 VAL H H 1 8.35 0.01 . 1 . . . . . . . . 6097 1 196 . 1 1 34 34 VAL HA H 1 3.27 0.01 . 1 . . . . . . . . 6097 1 197 . 1 1 34 34 VAL HB H 1 1.79 0.01 . 1 . . . . . . . . 6097 1 198 . 1 1 34 34 VAL HG11 H 1 0.61 0.01 . 2 . . . . . . . . 6097 1 199 . 1 1 34 34 VAL HG12 H 1 0.61 0.01 . 2 . . . . . . . . 6097 1 200 . 1 1 34 34 VAL HG13 H 1 0.61 0.01 . 2 . . . . . . . . 6097 1 201 . 1 1 34 34 VAL HG21 H 1 -0.16 0.01 . 2 . . . . . . . . 6097 1 202 . 1 1 34 34 VAL HG22 H 1 -0.16 0.01 . 2 . . . . . . . . 6097 1 203 . 1 1 34 34 VAL HG23 H 1 -0.16 0.01 . 2 . . . . . . . . 6097 1 204 . 1 1 35 35 LYS H H 1 7.65 0.01 . 1 . . . . . . . . 6097 1 205 . 1 1 35 35 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 6097 1 206 . 1 1 35 35 LYS HB2 H 1 1.78 0.01 . 1 . . . . . . . . 6097 1 207 . 1 1 35 35 LYS HB3 H 1 2.00 0.01 . 1 . . . . . . . . 6097 1 208 . 1 1 35 35 LYS HG2 H 1 1.51 0.01 . 2 . . . . . . . . 6097 1 209 . 1 1 35 35 LYS HG3 H 1 1.66 0.01 . 2 . . . . . . . . 6097 1 210 . 1 1 35 35 LYS HD2 H 1 1.95 0.01 . 2 . . . . . . . . 6097 1 211 . 1 1 35 35 LYS HE2 H 1 2.98 0.01 . 2 . . . . . . . . 6097 1 212 . 1 1 36 36 ASP H H 1 8.36 0.01 . 1 . . . . . . . . 6097 1 213 . 1 1 36 36 ASP HA H 1 4.51 0.01 . 1 . . . . . . . . 6097 1 214 . 1 1 36 36 ASP HB2 H 1 2.89 0.01 . 1 . . . . . . . . 6097 1 215 . 1 1 36 36 ASP HB3 H 1 2.79 0.01 . 1 . . . . . . . . 6097 1 216 . 1 1 37 37 TYR H H 1 8.16 0.01 . 1 . . . . . . . . 6097 1 217 . 1 1 37 37 TYR HA H 1 4.19 0.01 . 1 . . . . . . . . 6097 1 218 . 1 1 37 37 TYR HB2 H 1 3.30 0.01 . 1 . . . . . . . . 6097 1 219 . 1 1 37 37 TYR HB3 H 1 3.40 0.01 . 1 . . . . . . . . 6097 1 220 . 1 1 37 37 TYR HD1 H 1 6.66 0.01 . 1 . . . . . . . . 6097 1 221 . 1 1 37 37 TYR HD2 H 1 6.66 0.01 . 1 . . . . . . . . 6097 1 222 . 1 1 37 37 TYR HE1 H 1 6.79 0.01 . 1 . . . . . . . . 6097 1 223 . 1 1 37 37 TYR HE2 H 1 6.79 0.01 . 1 . . . . . . . . 6097 1 224 . 1 1 38 38 TYR H H 1 8.16 0.01 . 1 . . . . . . . . 6097 1 225 . 1 1 38 38 TYR HA H 1 4.42 0.01 . 1 . . . . . . . . 6097 1 226 . 1 1 38 38 TYR HB2 H 1 3.30 0.01 . 1 . . . . . . . . 6097 1 227 . 1 1 38 38 TYR HB3 H 1 3.11 0.01 . 1 . . . . . . . . 6097 1 228 . 1 1 38 38 TYR HD1 H 1 7.25 0.01 . 1 . . . . . . . . 6097 1 229 . 1 1 38 38 TYR HD2 H 1 7.25 0.01 . 1 . . . . . . . . 6097 1 230 . 1 1 38 38 TYR HE1 H 1 6.76 0.01 . 1 . . . . . . . . 6097 1 231 . 1 1 38 38 TYR HE2 H 1 6.76 0.01 . 1 . . . . . . . . 6097 1 232 . 1 1 39 39 GLN H H 1 7.94 0.01 . 1 . . . . . . . . 6097 1 233 . 1 1 39 39 GLN HA H 1 4.09 0.01 . 1 . . . . . . . . 6097 1 234 . 1 1 39 39 GLN HB2 H 1 2.25 0.01 . 2 . . . . . . . . 6097 1 235 . 1 1 39 39 GLN HB3 H 1 2.35 0.01 . 2 . . . . . . . . 6097 1 236 . 1 1 39 39 GLN HG2 H 1 2.51 0.01 . 2 . . . . . . . . 6097 1 237 . 1 1 39 39 GLN HE21 H 1 6.83 0.01 . 2 . . . . . . . . 6097 1 238 . 1 1 39 39 GLN HE22 H 1 7.61 0.01 . 2 . . . . . . . . 6097 1 239 . 1 1 40 40 LYS H H 1 8.03 0.01 . 1 . . . . . . . . 6097 1 240 . 1 1 40 40 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 6097 1 241 . 1 1 40 40 LYS HB2 H 1 1.84 0.01 . 2 . . . . . . . . 6097 1 242 . 1 1 40 40 LYS HG2 H 1 1.45 0.01 . 2 . . . . . . . . 6097 1 243 . 1 1 40 40 LYS HD2 H 1 1.74 0.01 . 2 . . . . . . . . 6097 1 244 . 1 1 40 40 LYS HE2 H 1 2.94 0.01 . 2 . . . . . . . . 6097 1 245 . 1 1 41 41 TRP H H 1 8.23 0.01 . 1 . . . . . . . . 6097 1 246 . 1 1 41 41 TRP HA H 1 4.32 0.01 . 1 . . . . . . . . 6097 1 247 . 1 1 41 41 TRP HB2 H 1 3.42 0.01 . 1 . . . . . . . . 6097 1 248 . 1 1 41 41 TRP HB3 H 1 3.06 0.01 . 1 . . . . . . . . 6097 1 249 . 1 1 41 41 TRP HD1 H 1 7.24 0.01 . 1 . . . . . . . . 6097 1 250 . 1 1 41 41 TRP HE1 H 1 10.1 0.01 . 1 . . . . . . . . 6097 1 251 . 1 1 41 41 TRP HE3 H 1 7.51 0.01 . 1 . . . . . . . . 6097 1 252 . 1 1 41 41 TRP HZ2 H 1 7.46 0.01 . 1 . . . . . . . . 6097 1 253 . 1 1 41 41 TRP HZ3 H 1 7.09 0.01 . 1 . . . . . . . . 6097 1 254 . 1 1 41 41 TRP HH2 H 1 7.47 0.01 . 1 . . . . . . . . 6097 1 255 . 1 1 42 42 MET H H 1 8.11 0.01 . 1 . . . . . . . . 6097 1 256 . 1 1 42 42 MET HA H 1 4.12 0.01 . 1 . . . . . . . . 6097 1 257 . 1 1 42 42 MET HB2 H 1 2.06 0.01 . 2 . . . . . . . . 6097 1 258 . 1 1 42 42 MET HB3 H 1 2.11 0.01 . 2 . . . . . . . . 6097 1 259 . 1 1 42 42 MET HG2 H 1 2.41 0.01 . 2 . . . . . . . . 6097 1 260 . 1 1 42 42 MET HG3 H 1 2.43 0.01 . 2 . . . . . . . . 6097 1 261 . 1 1 42 42 MET HE1 H 1 2.10 0.01 . 1 . . . . . . . . 6097 1 262 . 1 1 42 42 MET HE2 H 1 2.10 0.01 . 1 . . . . . . . . 6097 1 263 . 1 1 42 42 MET HE3 H 1 2.10 0.01 . 1 . . . . . . . . 6097 1 264 . 1 1 43 43 GLU H H 1 7.94 0.01 . 1 . . . . . . . . 6097 1 265 . 1 1 43 43 GLU HA H 1 4.07 0.01 . 1 . . . . . . . . 6097 1 266 . 1 1 43 43 GLU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 6097 1 267 . 1 1 43 43 GLU HG2 H 1 2.43 0.01 . 2 . . . . . . . . 6097 1 268 . 1 1 44 44 GLU H H 1 7.99 0.01 . 1 . . . . . . . . 6097 1 269 . 1 1 44 44 GLU HA H 1 4.05 0.01 . 1 . . . . . . . . 6097 1 270 . 1 1 44 44 GLU HB2 H 1 2.06 0.01 . 2 . . . . . . . . 6097 1 271 . 1 1 44 44 GLU HG2 H 1 2.39 0.01 . 2 . . . . . . . . 6097 1 272 . 1 1 45 45 GLN H H 1 7.97 0.01 . 1 . . . . . . . . 6097 1 273 . 1 1 45 45 GLN HA H 1 4.14 0.01 . 1 . . . . . . . . 6097 1 274 . 1 1 45 45 GLN HB2 H 1 2.12 0.01 . 2 . . . . . . . . 6097 1 275 . 1 1 45 45 GLN HB3 H 1 2.27 0.01 . 2 . . . . . . . . 6097 1 276 . 1 1 45 45 GLN HG2 H 1 2.40 0.01 . 2 . . . . . . . . 6097 1 277 . 1 1 45 45 GLN HG3 H 1 2.49 0.01 . 2 . . . . . . . . 6097 1 278 . 1 1 45 45 GLN HE21 H 1 6.73 0.01 . 2 . . . . . . . . 6097 1 279 . 1 1 45 45 GLN HE22 H 1 7.55 0.01 . 2 . . . . . . . . 6097 1 280 . 1 1 46 46 ALA H H 1 7.92 0.01 . 1 . . . . . . . . 6097 1 281 . 1 1 46 46 ALA HA H 1 4.12 0.01 . 1 . . . . . . . . 6097 1 282 . 1 1 46 46 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 6097 1 283 . 1 1 46 46 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 6097 1 284 . 1 1 46 46 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 6097 1 285 . 1 1 47 47 GLN H H 1 7.92 0.01 . 1 . . . . . . . . 6097 1 286 . 1 1 47 47 GLN HA H 1 4.12 0.01 . 1 . . . . . . . . 6097 1 287 . 1 1 47 47 GLN HB2 H 1 2.07 0.01 . 2 . . . . . . . . 6097 1 288 . 1 1 47 47 GLN HG2 H 1 2.49 0.01 . 2 . . . . . . . . 6097 1 289 . 1 1 47 47 GLN HE21 H 1 6.73 0.01 . 2 . . . . . . . . 6097 1 290 . 1 1 47 47 GLN HE22 H 1 7.54 0.01 . 2 . . . . . . . . 6097 1 291 . 1 1 48 48 SER H H 1 8.07 0.01 . 1 . . . . . . . . 6097 1 292 . 1 1 48 48 SER HA H 1 4.43 0.01 . 1 . . . . . . . . 6097 1 293 . 1 1 48 48 SER HB2 H 1 3.97 0.01 . 2 . . . . . . . . 6097 1 294 . 1 1 49 49 LEU H H 1 7.91 0.01 . 1 . . . . . . . . 6097 1 295 . 1 1 49 49 LEU HA H 1 4.33 0.01 . 1 . . . . . . . . 6097 1 296 . 1 1 49 49 LEU HB2 H 1 1.73 0.01 . 1 . . . . . . . . 6097 1 297 . 1 1 49 49 LEU HB3 H 1 1.45 0.01 . 1 . . . . . . . . 6097 1 298 . 1 1 49 49 LEU HG H 1 1.66 0.01 . 1 . . . . . . . . 6097 1 299 . 1 1 49 49 LEU HD11 H 1 0.89 0.01 . 2 . . . . . . . . 6097 1 300 . 1 1 49 49 LEU HD12 H 1 0.89 0.01 . 2 . . . . . . . . 6097 1 301 . 1 1 49 49 LEU HD13 H 1 0.89 0.01 . 2 . . . . . . . . 6097 1 302 . 1 1 50 50 ILE H H 1 7.90 0.01 . 1 . . . . . . . . 6097 1 303 . 1 1 50 50 ILE HA H 1 4.05 0.01 . 1 . . . . . . . . 6097 1 304 . 1 1 50 50 ILE HB H 1 1.93 0.01 . 1 . . . . . . . . 6097 1 305 . 1 1 50 50 ILE HG12 H 1 1.17 0.01 . 1 . . . . . . . . 6097 1 306 . 1 1 50 50 ILE HG13 H 1 1.54 0.01 . 1 . . . . . . . . 6097 1 307 . 1 1 50 50 ILE HD11 H 1 0.86 0.01 . 1 . . . . . . . . 6097 1 308 . 1 1 50 50 ILE HD12 H 1 0.86 0.01 . 1 . . . . . . . . 6097 1 309 . 1 1 50 50 ILE HD13 H 1 0.86 0.01 . 1 . . . . . . . . 6097 1 310 . 1 1 50 50 ILE HG21 H 1 0.93 0.01 . 1 . . . . . . . . 6097 1 311 . 1 1 50 50 ILE HG22 H 1 0.93 0.01 . 1 . . . . . . . . 6097 1 312 . 1 1 50 50 ILE HG23 H 1 0.93 0.01 . 1 . . . . . . . . 6097 1 313 . 1 1 51 51 ASP H H 1 8.40 0.01 . 1 . . . . . . . . 6097 1 314 . 1 1 51 51 ASP HA H 1 4.61 0.01 . 1 . . . . . . . . 6097 1 315 . 1 1 51 51 ASP HB2 H 1 2.72 0.01 . 2 . . . . . . . . 6097 1 316 . 1 1 51 51 ASP HB3 H 1 2.79 0.01 . 2 . . . . . . . . 6097 1 317 . 1 1 52 52 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 6097 1 318 . 1 1 52 52 LYS HA H 1 4.29 0.01 . 1 . . . . . . . . 6097 1 319 . 1 1 52 52 LYS HB2 H 1 1.93 0.01 . 2 . . . . . . . . 6097 1 320 . 1 1 52 52 LYS HB3 H 1 1.84 0.01 . 2 . . . . . . . . 6097 1 321 . 1 1 52 52 LYS HG2 H 1 1.52 0.01 . 2 . . . . . . . . 6097 1 322 . 1 1 52 52 LYS HD2 H 1 1.78 0.01 . 2 . . . . . . . . 6097 1 323 . 1 1 52 52 LYS HE2 H 1 2.99 0.01 . 2 . . . . . . . . 6097 1 324 . 1 1 53 53 THR H H 1 8.31 0.01 . 1 . . . . . . . . 6097 1 325 . 1 1 53 53 THR HA H 1 4.32 0.01 . 1 . . . . . . . . 6097 1 326 . 1 1 53 53 THR HB H 1 4.32 0.01 . 1 . . . . . . . . 6097 1 327 . 1 1 53 53 THR HG21 H 1 1.27 0.01 . 1 . . . . . . . . 6097 1 328 . 1 1 53 53 THR HG22 H 1 1.27 0.01 . 1 . . . . . . . . 6097 1 329 . 1 1 53 53 THR HG23 H 1 1.27 0.01 . 1 . . . . . . . . 6097 1 330 . 1 1 54 54 THR H H 1 8.09 0.01 . 1 . . . . . . . . 6097 1 331 . 1 1 54 54 THR HA H 1 4.32 0.01 . 1 . . . . . . . . 6097 1 332 . 1 1 54 54 THR HB H 1 4.32 0.01 . 1 . . . . . . . . 6097 1 333 . 1 1 54 54 THR HG21 H 1 1.27 0.01 . 1 . . . . . . . . 6097 1 334 . 1 1 54 54 THR HG22 H 1 1.27 0.01 . 1 . . . . . . . . 6097 1 335 . 1 1 54 54 THR HG23 H 1 1.27 0.01 . 1 . . . . . . . . 6097 1 336 . 1 1 55 55 ALA H H 1 8.15 0.01 . 1 . . . . . . . . 6097 1 337 . 1 1 55 55 ALA HA H 1 4.28 0.01 . 1 . . . . . . . . 6097 1 338 . 1 1 55 55 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 6097 1 339 . 1 1 55 55 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 6097 1 340 . 1 1 55 55 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 6097 1 341 . 1 1 56 56 ALA H H 1 8.06 0.01 . 1 . . . . . . . . 6097 1 342 . 1 1 56 56 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 6097 1 343 . 1 1 56 56 ALA HB1 H 1 1.35 0.01 . 1 . . . . . . . . 6097 1 344 . 1 1 56 56 ALA HB2 H 1 1.35 0.01 . 1 . . . . . . . . 6097 1 345 . 1 1 56 56 ALA HB3 H 1 1.35 0.01 . 1 . . . . . . . . 6097 1 346 . 1 1 57 57 PHE H H 1 8.02 0.01 . 1 . . . . . . . . 6097 1 347 . 1 1 57 57 PHE HA H 1 4.60 0.01 . 1 . . . . . . . . 6097 1 348 . 1 1 57 57 PHE HB2 H 1 3.20 0.01 . 2 . . . . . . . . 6097 1 349 . 1 1 57 57 PHE HB3 H 1 3.13 0.01 . 2 . . . . . . . . 6097 1 350 . 1 1 57 57 PHE HD1 H 1 7.28 0.01 . 1 . . . . . . . . 6097 1 351 . 1 1 57 57 PHE HD2 H 1 7.28 0.01 . 1 . . . . . . . . 6097 1 352 . 1 1 57 57 PHE HE1 H 1 7.28 0.01 . 1 . . . . . . . . 6097 1 353 . 1 1 57 57 PHE HE2 H 1 7.28 0.01 . 1 . . . . . . . . 6097 1 354 . 1 1 57 57 PHE HZ H 1 7.35 0.01 . 1 . . . . . . . . 6097 1 355 . 1 1 58 58 GLN H H 1 8.14 0.01 . 1 . . . . . . . . 6097 1 356 . 1 1 58 58 GLN HA H 1 4.33 0.01 . 1 . . . . . . . . 6097 1 357 . 1 1 58 58 GLN HB2 H 1 2.06 0.01 . 2 . . . . . . . . 6097 1 358 . 1 1 58 58 GLN HB3 H 1 2.18 0.01 . 2 . . . . . . . . 6097 1 359 . 1 1 58 58 GLN HG2 H 1 2.44 0.01 . 2 . . . . . . . . 6097 1 360 . 1 1 58 58 GLN HE21 H 1 6.90 0.01 . 2 . . . . . . . . 6097 1 361 . 1 1 58 58 GLN HE22 H 1 7.57 0.01 . 2 . . . . . . . . 6097 1 362 . 1 1 59 59 GLN H H 1 8.27 0.01 . 1 . . . . . . . . 6097 1 363 . 1 1 59 59 GLN HA H 1 4.34 0.01 . 1 . . . . . . . . 6097 1 364 . 1 1 59 59 GLN HB2 H 1 2.00 0.01 . 2 . . . . . . . . 6097 1 365 . 1 1 59 59 GLN HB3 H 1 2.13 0.01 . 2 . . . . . . . . 6097 1 366 . 1 1 59 59 GLN HG2 H 1 2.36 0.01 . 2 . . . . . . . . 6097 1 367 . 1 1 59 59 GLN HE21 H 1 6.91 0.01 . 2 . . . . . . . . 6097 1 368 . 1 1 59 59 GLN HE22 H 1 7.51 0.01 . 2 . . . . . . . . 6097 1 369 . 1 1 60 60 GLY H H 1 8.43 0.01 . 1 . . . . . . . . 6097 1 370 . 1 1 60 60 GLY HA2 H 1 4.00 0.01 . 2 . . . . . . . . 6097 1 371 . 1 1 61 61 LYS H H 1 7.85 0.01 . 1 . . . . . . . . 6097 1 372 . 1 1 61 61 LYS HA H 1 4.21 0.01 . 1 . . . . . . . . 6097 1 373 . 1 1 61 61 LYS HB2 H 1 1.73 0.01 . 2 . . . . . . . . 6097 1 374 . 1 1 61 61 LYS HB3 H 1 1.87 0.01 . 2 . . . . . . . . 6097 1 375 . 1 1 61 61 LYS HG2 H 1 1.41 0.01 . 2 . . . . . . . . 6097 1 376 . 1 1 61 61 LYS HD2 H 1 1.69 0.01 . 2 . . . . . . . . 6097 1 377 . 1 1 61 61 LYS HE2 H 1 3.03 0.01 . 2 . . . . . . . . 6097 1 stop_ save_