data_18874 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18874 _Entry.Title ; PHD domain of ING4 N214D mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-04 _Entry.Accession_date 2012-12-04 _Entry.Last_release_date 2012-12-13 _Entry.Original_release_date 2012-12-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; NMR Assignment of the 188-249 fragment of the human tumor suppressor ING4 (Uniprot: Q9UNL4) containing the PHD finger with the mutation N214D detected in cancer cells. ; _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 Francisco Blanco . J. Sr. 18874 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18874 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 61 18874 '1H chemical shifts' 368 18874 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 . . 2012-12-13 2012-12-04 original author . 18874 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1PNX 'Structure of the WT PHD domain of ING4 bound to Histone H3 peptide with K4me3' 18874 PDB 2k1J 'Structure of the WT PHD domain of ING4' 18874 PDB 2VNF 'Structure of the WT PHD domain of ING4 bound to Histone H3 peptide with K4me3' 18874 PDB 4AFL 'Structure of the N-terminal dimerization domain of ING4' 18874 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18874 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/carcin/bgq171 _Citation.PubMed_ID 20705953 _Citation.Full_citation . _Citation.Title 'Functional impact of cancer-associated mutations in the tumor suppressor protein ING4' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Carinogenesis _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 11 _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 1932 _Citation.Page_last 1938 _Citation.Year 2010 _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 Francisco Blanco . J. . 18874 1 2 Ignacio Palmero . . . 18874 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cancer 18874 1 ING4 18874 1 PHD 18874 1 'tumor supressor' 18874 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18874 _Assembly.ID 1 _Assembly.Name 'ING4 PHD mutant N214D' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 7447.2 _Assembly.Enzyme_commission_number . _Assembly.Details 'PHD domain of human ING4 protein isoform 1 with mutation N214D' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'ING4 PHD mutant N214D' 1 $ING4_PHD_mutant_N214D A . yes native no no . . 'This is the polypeptide chain' 18874 1 2 'Zn ion, 1' 2 $entity_ZN A . no native no no . . 'Zinc cation' 18874 1 3 'Zn ion, 2' 2 $entity_ZN A . no native no no . . 'Zinc cation' 18874 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 coordinate single . 1 . 1 CYS 26 26 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 18874 1 2 coordinate single . 1 . 1 CYS 31 31 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 18874 1 3 coordinate single . 1 . 1 CYS 53 53 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 18874 1 4 coordinate single . 1 . 1 CYS 56 56 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 18874 1 5 coordinate single . 1 . 1 CYS 13 13 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 18874 1 6 coordinate single . 1 . 1 CYS 15 15 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 18874 1 7 coordinate single . 1 . 1 CYS 40 40 SG . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 18874 1 8 coordinate single . 1 . 1 HIS 37 37 ND1 . 3 . 2 ZN 1 1 ZN . . . . . . . . . . 18874 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 7210 . . 'solution NMR' . 'WT assignmen' 'NMR assignment of the WT PHD domain of ING4' 18874 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Extremely slow exchange' 18874 1 2 1 3 'Extremely slow exchange' 18874 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Chromatin remodelling' 18874 1 'Gene regulation' 18874 1 'Tumor suppression' 18874 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ING4_PHD_mutant_N214D _Entity.Sf_category entity _Entity.Sf_framecode ING4_PHD_mutant_N214D _Entity.Entry_ID 18874 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ING4_PHD_mutant_N214D _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 ; MDMPVDPNEPTYCLCHQVSY GEMIGCDDPDCSIEWFHFAC VGLTTKPRGKWFCPRCSQER KKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 187 _Entity.Polymer_author_seq_details 'Residue Met187 is not native. It comes from the cloning of the fragment and expression in E coli' _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation N214D _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7316.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes UNP Q9UNL4 . ING4 . . . . . . . . . . . . . . 18874 1 2 no PDB 2K1J . "Plan Homeodomain Finger Of Tumour Supressor Ing4" . . . . . 100.00 63 98.41 100.00 1.46e-38 . . . . 18874 1 3 no PDB 2M1R . "Phd Domain Of Ing4 N214d Mutant" . . . . . 100.00 63 100.00 100.00 5.29e-39 . . . . 18874 1 4 no PDB 2PNX . "The Phd Finger Of Ing4 In Complex With An H3k4me3 Histone Peptide" . . . . . 84.13 55 98.11 100.00 4.44e-31 . . . . 18874 1 5 no PDB 2VNF . "Molecular Basis Of Histone H3k4me3 Recognition By Ing4" . . . . . 95.24 60 98.33 100.00 1.58e-36 . . . . 18874 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Chromatin remodelling' 18874 1 'Gene regulation' 18874 1 'Tumor suppression' 18874 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 1 187 MET . 18874 1 2 188 ASP . 18874 1 3 189 MET . 18874 1 4 190 PRO . 18874 1 5 191 VAL . 18874 1 6 192 ASP . 18874 1 7 193 PRO . 18874 1 8 194 ASN . 18874 1 9 195 GLU . 18874 1 10 196 PRO . 18874 1 11 197 THR . 18874 1 12 198 TYR . 18874 1 13 199 CYS . 18874 1 14 200 LEU . 18874 1 15 201 CYS . 18874 1 16 202 HIS . 18874 1 17 203 GLN . 18874 1 18 204 VAL . 18874 1 19 205 SER . 18874 1 20 206 TYR . 18874 1 21 207 GLY . 18874 1 22 208 GLU . 18874 1 23 209 MET . 18874 1 24 210 ILE . 18874 1 25 211 GLY . 18874 1 26 212 CYS . 18874 1 27 213 ASP . 18874 1 28 214 ASP . 18874 1 29 215 PRO . 18874 1 30 216 ASP . 18874 1 31 217 CYS . 18874 1 32 218 SER . 18874 1 33 219 ILE . 18874 1 34 220 GLU . 18874 1 35 221 TRP . 18874 1 36 222 PHE . 18874 1 37 223 HIS . 18874 1 38 224 PHE . 18874 1 39 225 ALA . 18874 1 40 226 CYS . 18874 1 41 227 VAL . 18874 1 42 228 GLY . 18874 1 43 229 LEU . 18874 1 44 230 THR . 18874 1 45 231 THR . 18874 1 46 232 LYS . 18874 1 47 233 PRO . 18874 1 48 234 ARG . 18874 1 49 235 GLY . 18874 1 50 236 LYS . 18874 1 51 237 TRP . 18874 1 52 238 PHE . 18874 1 53 239 CYS . 18874 1 54 240 PRO . 18874 1 55 241 ARG . 18874 1 56 242 CYS . 18874 1 57 243 SER . 18874 1 58 244 GLN . 18874 1 59 245 GLU . 18874 1 60 246 ARG . 18874 1 61 247 LYS . 18874 1 62 248 LYS . 18874 1 63 249 LYS . 18874 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 18874 1 . ASP 2 2 18874 1 . MET 3 3 18874 1 . PRO 4 4 18874 1 . VAL 5 5 18874 1 . ASP 6 6 18874 1 . PRO 7 7 18874 1 . ASN 8 8 18874 1 . GLU 9 9 18874 1 . PRO 10 10 18874 1 . THR 11 11 18874 1 . TYR 12 12 18874 1 . CYS 13 13 18874 1 . LEU 14 14 18874 1 . CYS 15 15 18874 1 . HIS 16 16 18874 1 . GLN 17 17 18874 1 . VAL 18 18 18874 1 . SER 19 19 18874 1 . TYR 20 20 18874 1 . GLY 21 21 18874 1 . GLU 22 22 18874 1 . MET 23 23 18874 1 . ILE 24 24 18874 1 . GLY 25 25 18874 1 . CYS 26 26 18874 1 . ASP 27 27 18874 1 . ASP 28 28 18874 1 . PRO 29 29 18874 1 . ASP 30 30 18874 1 . CYS 31 31 18874 1 . SER 32 32 18874 1 . ILE 33 33 18874 1 . GLU 34 34 18874 1 . TRP 35 35 18874 1 . PHE 36 36 18874 1 . HIS 37 37 18874 1 . PHE 38 38 18874 1 . ALA 39 39 18874 1 . CYS 40 40 18874 1 . VAL 41 41 18874 1 . GLY 42 42 18874 1 . LEU 43 43 18874 1 . THR 44 44 18874 1 . THR 45 45 18874 1 . LYS 46 46 18874 1 . PRO 47 47 18874 1 . ARG 48 48 18874 1 . GLY 49 49 18874 1 . LYS 50 50 18874 1 . TRP 51 51 18874 1 . PHE 52 52 18874 1 . CYS 53 53 18874 1 . PRO 54 54 18874 1 . ARG 55 55 18874 1 . CYS 56 56 18874 1 . SER 57 57 18874 1 . GLN 58 58 18874 1 . GLU 59 59 18874 1 . ARG 60 60 18874 1 . LYS 61 61 18874 1 . LYS 62 62 18874 1 . LYS 63 63 18874 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18874 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18874 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18874 2 ZN 'Three letter code' 18874 2 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 1 ZN $chem_comp_ZN 18874 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18874 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 18874 _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 $ING4_PHD_mutant_N214D . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . 'isoform 1' . . . . . . . . . . . . . . . . . . . 18874 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 18874 _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 $ING4_PHD_mutant_N214D . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli K12 BL21(DE3) . . . . . . . . . . . . . . pET11d . . . . . . 18874 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 18874 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _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 . _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 18874 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18874 ZN [Zn++] SMILES CACTVS 3.341 18874 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18874 ZN [Zn+2] SMILES ACDLabs 10.04 18874 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18874 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18874 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 18874 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18874 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 ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18874 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18874 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mL of protein sample in 5mm NMR tube at 25 C' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ING4 PHD mutant N214D' '[U-100% 15N]' . . 1 $ING4_PHD_mutant_N214D . . 0.5 . . mM 0.05 . . . 18874 1 2 DSS 'natural abundance' . . . . . . 30 . . uM . . . . 18874 1 3 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 18874 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 2 . . . 18874 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 5 . . . 18874 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18874 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 0.07 mM 18874 1 pH 6.5 0.1 pH 18874 1 pressure 1 . atm 18874 1 temperature 298 0.1 K 18874 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 18874 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 18874 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18874 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18874 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18874 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18874 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18874 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18874 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18874 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18874 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18874 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18874 4 'data analysis' 18874 4 'peak picking' 18874 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18874 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18874 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18874 5 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18874 _Software.ID 6 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18874 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18874 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18874 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryoprobe triple resonance Z-gradient probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18874 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'Triple resonance XYZ gradient probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18874 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 'Cryoprobe triple resonance Z-gradient probe' . . 18874 1 2 spectrometer_2 Bruker Avance . 700 'Triple resonance XYZ gradient probe' . . 18874 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 18874 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18874 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18874 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18874 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18874 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18874 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18874 _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 0.00 internal direct 1.000000000 . . . . . . . . . 18874 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18874 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18874 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'Digital resolution' _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 '2D 1H-15N HSQC' . . . 18874 1 2 '2D 1H-1H NOESY' . . . 18874 1 3 '3D 1H-15N NOESY' . . . 18874 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 MET HA H 1 4.401 0.01 . 1 . . . . 187 MET HA . 18874 1 2 . 1 1 2 2 ASP H H 1 8.465 0.01 . 1 . . . . 188 ASP HN . 18874 1 3 . 1 1 2 2 ASP HA H 1 4.562 0.01 . 1 . . . . 188 ASP HA . 18874 1 4 . 1 1 2 2 ASP N N 15 121.094 0.1 . 1 . . . . 188 ASP N . 18874 1 5 . 1 1 3 3 MET H H 1 8.106 0.01 . 1 . . . . 189 MET HN . 18874 1 6 . 1 1 3 3 MET HA H 1 4.805 0.01 . 1 . . . . 189 MET HA . 18874 1 7 . 1 1 3 3 MET HB2 H 1 1.931 0.01 . 2 . . . . 189 MET HB2 . 18874 1 8 . 1 1 3 3 MET HB3 H 1 2.033 0.01 . 2 . . . . 189 MET HB3 . 18874 1 9 . 1 1 3 3 MET N N 15 121.456 0.1 . 1 . . . . 189 MET N . 18874 1 10 . 1 1 4 4 PRO HA H 1 4.455 0.01 . 1 . . . . 190 PRO HA . 18874 1 11 . 1 1 5 5 VAL H H 1 8.230 0.01 . 1 . . . . 191 VAL HN . 18874 1 12 . 1 1 5 5 VAL HA H 1 4.054 0.01 . 1 . . . . 191 VAL HA . 18874 1 13 . 1 1 5 5 VAL HB H 1 2.008 0.01 . 1 . . . . 191 VAL HB . 18874 1 14 . 1 1 5 5 VAL HG11 H 1 0.910 0.01 . 2 . . . . 191 VAL HG11 . 18874 1 15 . 1 1 5 5 VAL HG12 H 1 0.910 0.01 . 2 . . . . 191 VAL HG11 . 18874 1 16 . 1 1 5 5 VAL HG13 H 1 0.910 0.01 . 2 . . . . 191 VAL HG11 . 18874 1 17 . 1 1 5 5 VAL HG21 H 1 0.942 0.01 . 2 . . . . 191 VAL HG21 . 18874 1 18 . 1 1 5 5 VAL HG22 H 1 0.942 0.01 . 2 . . . . 191 VAL HG21 . 18874 1 19 . 1 1 5 5 VAL HG23 H 1 0.942 0.01 . 2 . . . . 191 VAL HG21 . 18874 1 20 . 1 1 5 5 VAL N N 15 120.697 0.1 . 1 . . . . 191 VAL N . 18874 1 21 . 1 1 6 6 ASP H H 1 8.558 0.01 . 1 . . . . 192 ASP HN . 18874 1 22 . 1 1 6 6 ASP HA H 1 4.888 0.01 . 1 . . . . 192 ASP HA . 18874 1 23 . 1 1 6 6 ASP HB2 H 1 2.584 0.01 . 2 . . . . 192 ASP HB2 . 18874 1 24 . 1 1 6 6 ASP HB3 H 1 2.829 0.01 . 2 . . . . 192 ASP HB3 . 18874 1 25 . 1 1 6 6 ASP N N 15 126.224 0.1 . 1 . . . . 192 ASP N . 18874 1 26 . 1 1 7 7 PRO HA H 1 4.411 0.01 . 1 . . . . 193 PRO HA . 18874 1 27 . 1 1 7 7 PRO HB2 H 1 2.285 0.01 . 2 . . . . 193 PRO HB2 . 18874 1 28 . 1 1 7 7 PRO HG2 H 1 1.964 0.01 . 2 . . . . 193 PRO HG2 . 18874 1 29 . 1 1 7 7 PRO HG3 H 1 2.027 0.01 . 2 . . . . 193 PRO HG3 . 18874 1 30 . 1 1 7 7 PRO HD2 H 1 3.880 0.01 . 2 . . . . 193 PRO HD2 . 18874 1 31 . 1 1 8 8 ASN H H 1 8.563 0.01 . 1 . . . . 194 ASN HN . 18874 1 32 . 1 1 8 8 ASN HA H 1 4.689 0.01 . 1 . . . . 194 ASN HA . 18874 1 33 . 1 1 8 8 ASN HB2 H 1 2.724 0.01 . 2 . . . . 194 ASN HB2 . 18874 1 34 . 1 1 8 8 ASN HB3 H 1 2.827 0.01 . 2 . . . . 194 ASN HB3 . 18874 1 35 . 1 1 8 8 ASN HD21 H 1 6.937 0.01 . 2 . . . . 194 ASN HD21 . 18874 1 36 . 1 1 8 8 ASN HD22 H 1 7.814 0.01 . 2 . . . . 194 ASN HD22 . 18874 1 37 . 1 1 8 8 ASN N N 15 117.534 0.1 . 1 . . . . 194 ASN N . 18874 1 38 . 1 1 8 8 ASN ND2 N 15 114.363 0.1 . 1 . . . . 194 ASN ND2 . 18874 1 39 . 1 1 9 9 GLU H H 1 7.830 0.01 . 1 . . . . 195 GLU HN . 18874 1 40 . 1 1 9 9 GLU HA H 1 4.549 0.01 . 1 . . . . 195 GLU HA . 18874 1 41 . 1 1 9 9 GLU HB2 H 1 1.967 0.01 . 2 . . . . 195 GLU HB2 . 18874 1 42 . 1 1 9 9 GLU HB3 H 1 2.020 0.01 . 2 . . . . 195 GLU HB3 . 18874 1 43 . 1 1 9 9 GLU HG2 H 1 2.337 0.01 . 2 . . . . 195 GLU HG2 . 18874 1 44 . 1 1 9 9 GLU N N 15 122.694 0.1 . 1 . . . . 195 GLU N . 18874 1 45 . 1 1 10 10 PRO HA H 1 4.295 0.01 . 1 . . . . 196 PRO HA . 18874 1 46 . 1 1 10 10 PRO HB2 H 1 1.577 0.01 . 2 . . . . 196 PRO HB2 . 18874 1 47 . 1 1 10 10 PRO HB3 H 1 2.095 0.01 . 2 . . . . 196 PRO HB3 . 18874 1 48 . 1 1 10 10 PRO HG2 H 1 1.983 0.01 . 2 . . . . 196 PRO HG2 . 18874 1 49 . 1 1 10 10 PRO HG3 H 1 2.048 0.01 . 2 . . . . 196 PRO HG3 . 18874 1 50 . 1 1 10 10 PRO HD2 H 1 3.686 0.01 . 2 . . . . 196 PRO HD2 . 18874 1 51 . 1 1 10 10 PRO HD3 H 1 3.820 0.01 . 2 . . . . 196 PRO HD3 . 18874 1 52 . 1 1 11 11 THR H H 1 7.531 0.01 . 1 . . . . 197 THR HN . 18874 1 53 . 1 1 11 11 THR HA H 1 4.136 0.01 . 1 . . . . 197 THR HA . 18874 1 54 . 1 1 11 11 THR HB H 1 3.677 0.01 . 1 . . . . 197 THR HB . 18874 1 55 . 1 1 11 11 THR HG21 H 1 1.015 0.01 . 1 . . . . 197 THR HG21 . 18874 1 56 . 1 1 11 11 THR HG22 H 1 1.015 0.01 . 1 . . . . 197 THR HG21 . 18874 1 57 . 1 1 11 11 THR HG23 H 1 1.015 0.01 . 1 . . . . 197 THR HG21 . 18874 1 58 . 1 1 11 11 THR N N 15 109.132 0.1 . 1 . . . . 197 THR N . 18874 1 59 . 1 1 12 12 TYR H H 1 8.296 0.01 . 1 . . . . 198 TYR HN . 18874 1 60 . 1 1 12 12 TYR HA H 1 5.110 0.01 . 1 . . . . 198 TYR HA . 18874 1 61 . 1 1 12 12 TYR HB2 H 1 2.010 0.01 . 2 . . . . 198 TYR HB2 . 18874 1 62 . 1 1 12 12 TYR HB3 H 1 3.112 0.01 . 2 . . . . 198 TYR HB3 . 18874 1 63 . 1 1 12 12 TYR HD2 H 1 7.097 0.01 . 3 . . . . 198 TYR HD2 . 18874 1 64 . 1 1 12 12 TYR HE2 H 1 6.794 0.01 . 3 . . . . 198 TYR HE2 . 18874 1 65 . 1 1 12 12 TYR N N 15 118.240 0.1 . 1 . . . . 198 TYR N . 18874 1 66 . 1 1 13 13 CYS H H 1 7.166 0.01 . 1 . . . . 199 CYS HN . 18874 1 67 . 1 1 13 13 CYS HA H 1 3.701 0.01 . 1 . . . . 199 CYS HA . 18874 1 68 . 1 1 13 13 CYS HB2 H 1 2.375 0.01 . 2 . . . . 199 CYS HB2 . 18874 1 69 . 1 1 13 13 CYS HB3 H 1 4.681 0.01 . 2 . . . . 199 CYS HB3 . 18874 1 70 . 1 1 13 13 CYS N N 15 115.596 0.1 . 1 . . . . 199 CYS N . 18874 1 71 . 1 1 14 14 LEU H H 1 9.896 0.01 . 1 . . . . 200 LEU HN . 18874 1 72 . 1 1 14 14 LEU HA H 1 4.292 0.01 . 1 . . . . 200 LEU HA . 18874 1 73 . 1 1 14 14 LEU HB2 H 1 1.873 0.01 . 2 . . . . 200 LEU HB2 . 18874 1 74 . 1 1 14 14 LEU HB3 H 1 2.005 0.01 . 2 . . . . 200 LEU HB3 . 18874 1 75 . 1 1 14 14 LEU HG H 1 2.200 0.01 . 1 . . . . 200 LEU HG . 18874 1 76 . 1 1 14 14 LEU HD11 H 1 1.169 0.01 . 2 . . . . 200 LEU HD11 . 18874 1 77 . 1 1 14 14 LEU HD12 H 1 1.169 0.01 . 2 . . . . 200 LEU HD11 . 18874 1 78 . 1 1 14 14 LEU HD13 H 1 1.169 0.01 . 2 . . . . 200 LEU HD11 . 18874 1 79 . 1 1 14 14 LEU HD21 H 1 1.150 0.01 . 2 . . . . 200 LEU HD21 . 18874 1 80 . 1 1 14 14 LEU HD22 H 1 1.150 0.01 . 2 . . . . 200 LEU HD21 . 18874 1 81 . 1 1 14 14 LEU HD23 H 1 1.150 0.01 . 2 . . . . 200 LEU HD21 . 18874 1 82 . 1 1 14 14 LEU N N 15 126.702 0.1 . 1 . . . . 200 LEU N . 18874 1 83 . 1 1 15 15 CYS H H 1 7.598 0.01 . 1 . . . . 201 CYS HN . 18874 1 84 . 1 1 15 15 CYS HA H 1 4.604 0.01 . 1 . . . . 201 CYS HA . 18874 1 85 . 1 1 15 15 CYS HB2 H 1 3.149 0.01 . 2 . . . . 201 CYS HB2 . 18874 1 86 . 1 1 15 15 CYS HB3 H 1 3.306 0.01 . 2 . . . . 201 CYS HB3 . 18874 1 87 . 1 1 15 15 CYS N N 15 114.446 0.1 . 1 . . . . 201 CYS N . 18874 1 88 . 1 1 16 16 HIS H H 1 7.657 0.01 . 1 . . . . 202 HIS HN . 18874 1 89 . 1 1 16 16 HIS HA H 1 4.387 0.01 . 1 . . . . 202 HIS HA . 18874 1 90 . 1 1 16 16 HIS HB2 H 1 3.283 0.01 . 2 . . . . 202 HIS HB2 . 18874 1 91 . 1 1 16 16 HIS HB3 H 1 3.558 0.01 . 2 . . . . 202 HIS HB3 . 18874 1 92 . 1 1 16 16 HIS HD2 H 1 7.194 0.01 . 1 . . . . 202 HIS HD2 . 18874 1 93 . 1 1 16 16 HIS N N 15 119.739 0.1 . 1 . . . . 202 HIS N . 18874 1 94 . 1 1 17 17 GLN H H 1 8.090 0.01 . 1 . . . . 203 GLN HN . 18874 1 95 . 1 1 17 17 GLN HA H 1 5.071 0.01 . 1 . . . . 203 GLN HA . 18874 1 96 . 1 1 17 17 GLN HB2 H 1 2.345 0.01 . 2 . . . . 203 GLN HB2 . 18874 1 97 . 1 1 17 17 GLN HG2 H 1 2.521 0.01 . 2 . . . . 203 GLN HG2 . 18874 1 98 . 1 1 17 17 GLN HG3 H 1 2.622 0.01 . 2 . . . . 203 GLN HG3 . 18874 1 99 . 1 1 17 17 GLN HE21 H 1 6.878 0.01 . 2 . . . . 203 GLN HE21 . 18874 1 100 . 1 1 17 17 GLN HE22 H 1 7.528 0.01 . 2 . . . . 203 GLN HE22 . 18874 1 101 . 1 1 17 17 GLN N N 15 117.183 0.1 . 1 . . . . 203 GLN N . 18874 1 102 . 1 1 17 17 GLN NE2 N 15 113.263 0.1 . 1 . . . . 203 GLN NE2 . 18874 1 103 . 1 1 18 18 VAL H H 1 8.196 0.01 . 1 . . . . 204 VAL HN . 18874 1 104 . 1 1 18 18 VAL HA H 1 4.560 0.01 . 1 . . . . 204 VAL HA . 18874 1 105 . 1 1 18 18 VAL HB H 1 2.593 0.01 . 1 . . . . 204 VAL HB . 18874 1 106 . 1 1 18 18 VAL HG11 H 1 1.025 0.01 . 2 . . . . 204 VAL HG11 . 18874 1 107 . 1 1 18 18 VAL HG12 H 1 1.025 0.01 . 2 . . . . 204 VAL HG11 . 18874 1 108 . 1 1 18 18 VAL HG13 H 1 1.025 0.01 . 2 . . . . 204 VAL HG11 . 18874 1 109 . 1 1 18 18 VAL HG21 H 1 1.068 0.01 . 2 . . . . 204 VAL HG21 . 18874 1 110 . 1 1 18 18 VAL HG22 H 1 1.068 0.01 . 2 . . . . 204 VAL HG21 . 18874 1 111 . 1 1 18 18 VAL HG23 H 1 1.068 0.01 . 2 . . . . 204 VAL HG21 . 18874 1 112 . 1 1 18 18 VAL N N 15 113.523 0.1 . 1 . . . . 204 VAL N . 18874 1 113 . 1 1 19 19 SER H H 1 8.887 0.01 . 1 . . . . 205 SER HN . 18874 1 114 . 1 1 19 19 SER HA H 1 4.047 0.01 . 1 . . . . 205 SER HA . 18874 1 115 . 1 1 19 19 SER HB2 H 1 3.658 0.01 . 2 . . . . 205 SER HB2 . 18874 1 116 . 1 1 19 19 SER N N 15 115.303 0.1 . 1 . . . . 205 SER N . 18874 1 117 . 1 1 20 20 TYR H H 1 7.356 0.01 . 1 . . . . 206 TYR HN . 18874 1 118 . 1 1 20 20 TYR HA H 1 4.622 0.01 . 1 . . . . 206 TYR HA . 18874 1 119 . 1 1 20 20 TYR HB2 H 1 2.939 0.01 . 2 . . . . 206 TYR HB2 . 18874 1 120 . 1 1 20 20 TYR HB3 H 1 3.199 0.01 . 2 . . . . 206 TYR HB3 . 18874 1 121 . 1 1 20 20 TYR HD1 H 1 6.911 0.01 . 3 . . . . 206 TYR HD1 . 18874 1 122 . 1 1 20 20 TYR HE1 H 1 6.443 0.01 . 3 . . . . 206 TYR HE1 . 18874 1 123 . 1 1 20 20 TYR HH H 1 7.415 0.01 . 1 . . . . 206 TYR HH . 18874 1 124 . 1 1 20 20 TYR N N 15 120.147 0.1 . 1 . . . . 206 TYR N . 18874 1 125 . 1 1 21 21 GLY H H 1 8.692 0.01 . 1 . . . . 207 GLY HN . 18874 1 126 . 1 1 21 21 GLY HA2 H 1 3.770 0.01 . 2 . . . . 207 GLY HA1 . 18874 1 127 . 1 1 21 21 GLY HA3 H 1 3.862 0.01 . 2 . . . . 207 GLY HA2 . 18874 1 128 . 1 1 21 21 GLY N N 15 109.111 0.1 . 1 . . . . 207 GLY N . 18874 1 129 . 1 1 22 22 GLU H H 1 8.252 0.01 . 1 . . . . 208 GLU HN . 18874 1 130 . 1 1 22 22 GLU HA H 1 3.980 0.01 . 1 . . . . 208 GLU HA . 18874 1 131 . 1 1 22 22 GLU HB2 H 1 0.411 0.01 . 2 . . . . 208 GLU HB2 . 18874 1 132 . 1 1 22 22 GLU HB3 H 1 0.876 0.01 . 2 . . . . 208 GLU HB3 . 18874 1 133 . 1 1 22 22 GLU HG2 H 1 1.743 0.01 . 2 . . . . 208 GLU HG2 . 18874 1 134 . 1 1 22 22 GLU HG3 H 1 1.874 0.01 . 2 . . . . 208 GLU HG3 . 18874 1 135 . 1 1 22 22 GLU N N 15 122.297 0.1 . 1 . . . . 208 GLU N . 18874 1 136 . 1 1 23 23 MET H H 1 8.310 0.01 . 1 . . . . 209 MET HN . 18874 1 137 . 1 1 23 23 MET HA H 1 5.490 0.01 . 1 . . . . 209 MET HA . 18874 1 138 . 1 1 23 23 MET HB2 H 1 1.617 0.01 . 2 . . . . 209 MET HB2 . 18874 1 139 . 1 1 23 23 MET HB3 H 1 1.730 0.01 . 2 . . . . 209 MET HB3 . 18874 1 140 . 1 1 23 23 MET HG2 H 1 2.094 0.01 . 2 . . . . 209 MET HG2 . 18874 1 141 . 1 1 23 23 MET HG3 H 1 2.204 0.01 . 2 . . . . 209 MET HG3 . 18874 1 142 . 1 1 23 23 MET N N 15 124.117 0.1 . 1 . . . . 209 MET N . 18874 1 143 . 1 1 24 24 ILE H H 1 9.680 0.01 . 1 . . . . 210 ILE HN . 18874 1 144 . 1 1 24 24 ILE HA H 1 4.767 0.01 . 1 . . . . 210 ILE HA . 18874 1 145 . 1 1 24 24 ILE HB H 1 1.349 0.01 . 1 . . . . 210 ILE HB . 18874 1 146 . 1 1 24 24 ILE HG12 H 1 0.532 0.01 . 2 . . . . 210 ILE HG12 . 18874 1 147 . 1 1 24 24 ILE HG13 H 1 1.231 0.01 . 2 . . . . 210 ILE HG13 . 18874 1 148 . 1 1 24 24 ILE HG21 H 1 -0.052 0.01 . 1 . . . . 210 ILE HG21 . 18874 1 149 . 1 1 24 24 ILE HG22 H 1 -0.052 0.01 . 1 . . . . 210 ILE HG21 . 18874 1 150 . 1 1 24 24 ILE HG23 H 1 -0.052 0.01 . 1 . . . . 210 ILE HG21 . 18874 1 151 . 1 1 24 24 ILE HD11 H 1 0.244 0.01 . 1 . . . . 210 ILE HD11 . 18874 1 152 . 1 1 24 24 ILE HD12 H 1 0.244 0.01 . 1 . . . . 210 ILE HD11 . 18874 1 153 . 1 1 24 24 ILE HD13 H 1 0.244 0.01 . 1 . . . . 210 ILE HD11 . 18874 1 154 . 1 1 24 24 ILE N N 15 121.993 0.1 . 1 . . . . 210 ILE N . 18874 1 155 . 1 1 25 25 GLY H H 1 8.309 0.01 . 1 . . . . 211 GLY HN . 18874 1 156 . 1 1 25 25 GLY HA2 H 1 2.612 0.01 . 2 . . . . 211 GLY HA1 . 18874 1 157 . 1 1 25 25 GLY HA3 H 1 4.813 0.01 . 2 . . . . 211 GLY HA2 . 18874 1 158 . 1 1 25 25 GLY N N 15 116.320 0.1 . 1 . . . . 211 GLY N . 18874 1 159 . 1 1 26 26 CYS H H 1 8.622 0.01 . 1 . . . . 212 CYS HN . 18874 1 160 . 1 1 26 26 CYS HA H 1 4.597 0.01 . 1 . . . . 212 CYS HA . 18874 1 161 . 1 1 26 26 CYS HB2 H 1 3.090 0.01 . 2 . . . . 212 CYS HB2 . 18874 1 162 . 1 1 26 26 CYS HB3 H 1 3.253 0.01 . 2 . . . . 212 CYS HB3 . 18874 1 163 . 1 1 26 26 CYS N N 15 126.284 0.1 . 1 . . . . 212 CYS N . 18874 1 164 . 1 1 27 27 ASP H H 1 9.024 0.01 . 1 . . . . 213 ASP HN . 18874 1 165 . 1 1 27 27 ASP HA H 1 4.736 0.01 . 1 . . . . 213 ASP HA . 18874 1 166 . 1 1 27 27 ASP HB2 H 1 1.819 0.01 . 2 . . . . 213 ASP HB2 . 18874 1 167 . 1 1 27 27 ASP HB3 H 1 2.555 0.01 . 2 . . . . 213 ASP HB3 . 18874 1 168 . 1 1 27 27 ASP N N 15 127.489 0.1 . 1 . . . . 213 ASP N . 18874 1 169 . 1 1 28 28 ASP H H 1 9.164 0.01 . 1 . . . . 214 ASP HN . 18874 1 170 . 1 1 28 28 ASP HA H 1 5.004 0.01 . 1 . . . . 214 ASP HA . 18874 1 171 . 1 1 28 28 ASP HB2 H 1 2.476 0.01 . 2 . . . . 214 ASP HB2 . 18874 1 172 . 1 1 28 28 ASP HB3 H 1 4.013 0.01 . 2 . . . . 214 ASP HB3 . 18874 1 173 . 1 1 28 28 ASP N N 15 128.012 0.1 . 1 . . . . 214 ASP N . 18874 1 174 . 1 1 29 29 PRO HA H 1 4.427 0.01 . 1 . . . . 215 PRO HA . 18874 1 175 . 1 1 29 29 PRO HB2 H 1 2.342 0.01 . 2 . . . . 215 PRO HB2 . 18874 1 176 . 1 1 29 29 PRO HB3 H 1 2.463 0.01 . 2 . . . . 215 PRO HB3 . 18874 1 177 . 1 1 29 29 PRO HG2 H 1 1.953 0.01 . 2 . . . . 215 PRO HG2 . 18874 1 178 . 1 1 29 29 PRO HG3 H 1 2.045 0.01 . 2 . . . . 215 PRO HG3 . 18874 1 179 . 1 1 29 29 PRO HD2 H 1 3.842 0.01 . 2 . . . . 215 PRO HD2 . 18874 1 180 . 1 1 29 29 PRO HD3 H 1 4.040 0.01 . 2 . . . . 215 PRO HD3 . 18874 1 181 . 1 1 30 30 ASP H H 1 9.002 0.01 . 1 . . . . 216 ASP HN . 18874 1 182 . 1 1 30 30 ASP HA H 1 4.824 0.01 . 1 . . . . 216 ASP HA . 18874 1 183 . 1 1 30 30 ASP HB2 H 1 2.409 0.01 . 2 . . . . 216 ASP HB2 . 18874 1 184 . 1 1 30 30 ASP HB3 H 1 2.828 0.01 . 2 . . . . 216 ASP HB3 . 18874 1 185 . 1 1 30 30 ASP N N 15 118.234 0.1 . 1 . . . . 216 ASP N . 18874 1 186 . 1 1 31 31 CYS H H 1 7.692 0.01 . 1 . . . . 217 CYS HN . 18874 1 187 . 1 1 31 31 CYS HA H 1 3.687 0.01 . 1 . . . . 217 CYS HA . 18874 1 188 . 1 1 31 31 CYS HB2 H 1 2.825 0.01 . 2 . . . . 217 CYS HB2 . 18874 1 189 . 1 1 31 31 CYS HB3 H 1 3.478 0.01 . 2 . . . . 217 CYS HB3 . 18874 1 190 . 1 1 31 31 CYS N N 15 124.858 0.1 . 1 . . . . 217 CYS N . 18874 1 191 . 1 1 32 32 SER H H 1 8.522 0.01 . 1 . . . . 218 SER HN . 18874 1 192 . 1 1 32 32 SER HA H 1 4.471 0.01 . 1 . . . . 218 SER HA . 18874 1 193 . 1 1 32 32 SER HB2 H 1 3.964 0.01 . 2 . . . . 218 SER HB2 . 18874 1 194 . 1 1 32 32 SER HB3 H 1 4.037 0.01 . 2 . . . . 218 SER HB3 . 18874 1 195 . 1 1 32 32 SER N N 15 122.698 0.1 . 1 . . . . 218 SER N . 18874 1 196 . 1 1 33 33 ILE H H 1 8.481 0.01 . 1 . . . . 219 ILE HN . 18874 1 197 . 1 1 33 33 ILE HA H 1 4.137 0.01 . 1 . . . . 219 ILE HA . 18874 1 198 . 1 1 33 33 ILE HB H 1 1.755 0.01 . 1 . . . . 219 ILE HB . 18874 1 199 . 1 1 33 33 ILE HG12 H 1 1.056 0.01 . 2 . . . . 219 ILE HG12 . 18874 1 200 . 1 1 33 33 ILE HG13 H 1 1.655 0.01 . 2 . . . . 219 ILE HG13 . 18874 1 201 . 1 1 33 33 ILE HG21 H 1 0.253 0.01 . 1 . . . . 219 ILE HG21 . 18874 1 202 . 1 1 33 33 ILE HG22 H 1 0.253 0.01 . 1 . . . . 219 ILE HG21 . 18874 1 203 . 1 1 33 33 ILE HG23 H 1 0.253 0.01 . 1 . . . . 219 ILE HG21 . 18874 1 204 . 1 1 33 33 ILE HD11 H 1 0.920 0.01 . 1 . . . . 219 ILE HD11 . 18874 1 205 . 1 1 33 33 ILE HD12 H 1 0.920 0.01 . 1 . . . . 219 ILE HD11 . 18874 1 206 . 1 1 33 33 ILE HD13 H 1 0.920 0.01 . 1 . . . . 219 ILE HD11 . 18874 1 207 . 1 1 33 33 ILE N N 15 126.301 0.1 . 1 . . . . 219 ILE N . 18874 1 208 . 1 1 34 34 GLU H H 1 9.427 0.01 . 1 . . . . 220 GLU HN . 18874 1 209 . 1 1 34 34 GLU HA H 1 3.794 0.01 . 1 . . . . 220 GLU HA . 18874 1 210 . 1 1 34 34 GLU HB2 H 1 1.687 0.01 . 2 . . . . 220 GLU HB2 . 18874 1 211 . 1 1 34 34 GLU HB3 H 1 1.905 0.01 . 2 . . . . 220 GLU HB3 . 18874 1 212 . 1 1 34 34 GLU HG2 H 1 2.002 0.01 . 2 . . . . 220 GLU HG2 . 18874 1 213 . 1 1 34 34 GLU HG3 H 1 2.377 0.01 . 2 . . . . 220 GLU HG3 . 18874 1 214 . 1 1 34 34 GLU N N 15 120.340 0.1 . 1 . . . . 220 GLU N . 18874 1 215 . 1 1 35 35 TRP H H 1 8.015 0.01 . 1 . . . . 221 TRP HN . 18874 1 216 . 1 1 35 35 TRP HA H 1 5.347 0.01 . 1 . . . . 221 TRP HA . 18874 1 217 . 1 1 35 35 TRP HB2 H 1 2.512 0.01 . 2 . . . . 221 TRP HB2 . 18874 1 218 . 1 1 35 35 TRP HB3 H 1 2.656 0.01 . 2 . . . . 221 TRP HB3 . 18874 1 219 . 1 1 35 35 TRP HD1 H 1 6.975 0.01 . 1 . . . . 221 TRP HD1 . 18874 1 220 . 1 1 35 35 TRP HE1 H 1 9.937 0.01 . 1 . . . . 221 TRP HE1 . 18874 1 221 . 1 1 35 35 TRP HE3 H 1 7.028 0.01 . 1 . . . . 221 TRP HE3 . 18874 1 222 . 1 1 35 35 TRP HZ2 H 1 7.414 0.01 . 1 . . . . 221 TRP HZ2 . 18874 1 223 . 1 1 35 35 TRP HZ3 H 1 6.868 0.01 . 1 . . . . 221 TRP HZ3 . 18874 1 224 . 1 1 35 35 TRP HH2 H 1 7.149 0.01 . 1 . . . . 221 TRP HH2 . 18874 1 225 . 1 1 35 35 TRP N N 15 120.904 0.1 . 1 . . . . 221 TRP N . 18874 1 226 . 1 1 35 35 TRP NE1 N 15 128.677 0.01 . 1 . . . . 221 TRP NE1 . 18874 1 227 . 1 1 36 36 PHE H H 1 9.238 0.01 . 1 . . . . 222 PHE HN . 18874 1 228 . 1 1 36 36 PHE HA H 1 4.887 0.01 . 1 . . . . 222 PHE HA . 18874 1 229 . 1 1 36 36 PHE HB2 H 1 2.798 0.01 . 2 . . . . 222 PHE HB2 . 18874 1 230 . 1 1 36 36 PHE HB3 H 1 3.219 0.01 . 2 . . . . 222 PHE HB3 . 18874 1 231 . 1 1 36 36 PHE HD1 H 1 7.662 0.01 . 3 . . . . 222 PHE HD1 . 18874 1 232 . 1 1 36 36 PHE HE1 H 1 7.303 0.01 . 3 . . . . 222 PHE HE1 . 18874 1 233 . 1 1 36 36 PHE HZ H 1 7.924 0.01 . 1 . . . . 222 PHE HZ . 18874 1 234 . 1 1 36 36 PHE N N 15 117.478 0.1 . 1 . . . . 222 PHE N . 18874 1 235 . 1 1 37 37 HIS H H 1 9.446 0.01 . 1 . . . . 223 HIS HN . 18874 1 236 . 1 1 37 37 HIS HA H 1 4.982 0.01 . 1 . . . . 223 HIS HA . 18874 1 237 . 1 1 37 37 HIS HB2 H 1 3.655 0.01 . 2 . . . . 223 HIS HB2 . 18874 1 238 . 1 1 37 37 HIS HB3 H 1 4.021 0.01 . 2 . . . . 223 HIS HB3 . 18874 1 239 . 1 1 37 37 HIS HD2 H 1 6.856 0.01 . 1 . . . . 223 HIS HD2 . 18874 1 240 . 1 1 37 37 HIS N N 15 122.612 0.1 . 1 . . . . 223 HIS N . 18874 1 241 . 1 1 38 38 PHE H H 1 8.443 0.01 . 1 . . . . 224 PHE HN . 18874 1 242 . 1 1 38 38 PHE HA H 1 3.940 0.01 . 1 . . . . 224 PHE HA . 18874 1 243 . 1 1 38 38 PHE HB2 H 1 3.105 0.01 . 2 . . . . 224 PHE HB2 . 18874 1 244 . 1 1 38 38 PHE HB3 H 1 3.338 0.01 . 2 . . . . 224 PHE HB3 . 18874 1 245 . 1 1 38 38 PHE HD1 H 1 6.640 0.01 . 3 . . . . 224 PHE HD1 . 18874 1 246 . 1 1 38 38 PHE HE1 H 1 6.878 0.01 . 3 . . . . 224 PHE HE1 . 18874 1 247 . 1 1 38 38 PHE N N 15 124.244 0.1 . 1 . . . . 224 PHE N . 18874 1 248 . 1 1 39 39 ALA H H 1 9.091 0.01 . 1 . . . . 225 ALA HN . 18874 1 249 . 1 1 39 39 ALA HA H 1 4.315 0.01 . 1 . . . . 225 ALA HA . 18874 1 250 . 1 1 39 39 ALA HB1 H 1 1.611 0.01 . 1 . . . . 225 ALA HB2 . 18874 1 251 . 1 1 39 39 ALA HB2 H 1 1.611 0.01 . 1 . . . . 225 ALA HB2 . 18874 1 252 . 1 1 39 39 ALA HB3 H 1 1.611 0.01 . 1 . . . . 225 ALA HB2 . 18874 1 253 . 1 1 39 39 ALA N N 15 116.489 0.1 . 1 . . . . 225 ALA N . 18874 1 254 . 1 1 40 40 CYS H H 1 7.378 0.01 . 1 . . . . 226 CYS HN . 18874 1 255 . 1 1 40 40 CYS HA H 1 4.255 0.01 . 1 . . . . 226 CYS HA . 18874 1 256 . 1 1 40 40 CYS HB2 H 1 3.269 0.01 . 2 . . . . 226 CYS HB2 . 18874 1 257 . 1 1 40 40 CYS HB3 H 1 3.384 0.01 . 2 . . . . 226 CYS HB3 . 18874 1 258 . 1 1 40 40 CYS N N 15 117.107 0.1 . 1 . . . . 226 CYS N . 18874 1 259 . 1 1 41 41 VAL H H 1 7.368 0.01 . 1 . . . . 227 VAL HN . 18874 1 260 . 1 1 41 41 VAL HA H 1 4.726 0.01 . 1 . . . . 227 VAL HA . 18874 1 261 . 1 1 41 41 VAL HB H 1 2.773 0.01 . 1 . . . . 227 VAL HB . 18874 1 262 . 1 1 41 41 VAL HG11 H 1 0.808 0.01 . 2 . . . . 227 VAL HG11 . 18874 1 263 . 1 1 41 41 VAL HG12 H 1 0.808 0.01 . 2 . . . . 227 VAL HG11 . 18874 1 264 . 1 1 41 41 VAL HG13 H 1 0.808 0.01 . 2 . . . . 227 VAL HG11 . 18874 1 265 . 1 1 41 41 VAL HG21 H 1 0.998 0.01 . 2 . . . . 227 VAL HG21 . 18874 1 266 . 1 1 41 41 VAL HG22 H 1 0.998 0.01 . 2 . . . . 227 VAL HG21 . 18874 1 267 . 1 1 41 41 VAL HG23 H 1 0.998 0.01 . 2 . . . . 227 VAL HG21 . 18874 1 268 . 1 1 41 41 VAL N N 15 106.783 0.1 . 1 . . . . 227 VAL N . 18874 1 269 . 1 1 42 42 GLY H H 1 7.562 0.01 . 1 . . . . 228 GLY HN . 18874 1 270 . 1 1 42 42 GLY HA2 H 1 3.878 0.01 . 2 . . . . 228 GLY HA1 . 18874 1 271 . 1 1 42 42 GLY HA3 H 1 4.012 0.01 . 2 . . . . 228 GLY HA2 . 18874 1 272 . 1 1 42 42 GLY N N 15 108.958 0.1 . 1 . . . . 228 GLY N . 18874 1 273 . 1 1 43 43 LEU H H 1 7.843 0.01 . 1 . . . . 229 LEU HN . 18874 1 274 . 1 1 43 43 LEU HA H 1 4.535 0.01 . 1 . . . . 229 LEU HA . 18874 1 275 . 1 1 43 43 LEU HB2 H 1 0.509 0.01 . 2 . . . . 229 LEU HB2 . 18874 1 276 . 1 1 43 43 LEU HB3 H 1 0.867 0.01 . 2 . . . . 229 LEU HB3 . 18874 1 277 . 1 1 43 43 LEU HG H 1 1.215 0.01 . 1 . . . . 229 LEU HG . 18874 1 278 . 1 1 43 43 LEU HD11 H 1 -0.339 0.01 . 2 . . . . 229 LEU HD11 . 18874 1 279 . 1 1 43 43 LEU HD12 H 1 -0.339 0.01 . 2 . . . . 229 LEU HD11 . 18874 1 280 . 1 1 43 43 LEU HD13 H 1 -0.339 0.01 . 2 . . . . 229 LEU HD11 . 18874 1 281 . 1 1 43 43 LEU HD21 H 1 0.610 0.01 . 2 . . . . 229 LEU HD21 . 18874 1 282 . 1 1 43 43 LEU HD22 H 1 0.610 0.01 . 2 . . . . 229 LEU HD21 . 18874 1 283 . 1 1 43 43 LEU HD23 H 1 0.610 0.01 . 2 . . . . 229 LEU HD21 . 18874 1 284 . 1 1 43 43 LEU N N 15 119.703 0.1 . 1 . . . . 229 LEU N . 18874 1 285 . 1 1 44 44 THR H H 1 8.807 0.01 . 1 . . . . 230 THR HN . 18874 1 286 . 1 1 44 44 THR HA H 1 4.448 0.01 . 1 . . . . 230 THR HA . 18874 1 287 . 1 1 44 44 THR HB H 1 4.284 0.01 . 1 . . . . 230 THR HB . 18874 1 288 . 1 1 44 44 THR HG21 H 1 1.190 0.01 . 1 . . . . 230 THR HG21 . 18874 1 289 . 1 1 44 44 THR HG22 H 1 1.190 0.01 . 1 . . . . 230 THR HG21 . 18874 1 290 . 1 1 44 44 THR HG23 H 1 1.190 0.01 . 1 . . . . 230 THR HG21 . 18874 1 291 . 1 1 44 44 THR N N 15 110.996 0.1 . 1 . . . . 230 THR N . 18874 1 292 . 1 1 45 45 THR H H 1 7.451 0.01 . 1 . . . . 231 THR HN . 18874 1 293 . 1 1 45 45 THR HA H 1 4.560 0.01 . 1 . . . . 231 THR HA . 18874 1 294 . 1 1 45 45 THR HB H 1 4.049 0.01 . 1 . . . . 231 THR HB . 18874 1 295 . 1 1 45 45 THR HG21 H 1 1.107 0.01 . 1 . . . . 231 THR HG21 . 18874 1 296 . 1 1 45 45 THR HG22 H 1 1.107 0.01 . 1 . . . . 231 THR HG21 . 18874 1 297 . 1 1 45 45 THR HG23 H 1 1.107 0.01 . 1 . . . . 231 THR HG21 . 18874 1 298 . 1 1 45 45 THR N N 15 115.038 0.1 . 1 . . . . 231 THR N . 18874 1 299 . 1 1 46 46 LYS H H 1 8.689 0.01 . 1 . . . . 232 LYS HN . 18874 1 300 . 1 1 46 46 LYS HA H 1 4.010 0.01 . 1 . . . . 232 LYS HA . 18874 1 301 . 1 1 46 46 LYS HB2 H 1 1.864 0.01 . 2 . . . . 232 LYS HB2 . 18874 1 302 . 1 1 46 46 LYS HB3 H 1 1.919 0.01 . 2 . . . . 232 LYS HB3 . 18874 1 303 . 1 1 46 46 LYS HG2 H 1 1.457 0.01 . 2 . . . . 232 LYS HG2 . 18874 1 304 . 1 1 46 46 LYS HG3 H 1 1.643 0.01 . 2 . . . . 232 LYS HG3 . 18874 1 305 . 1 1 46 46 LYS HZ1 H 1 6.892 0.01 . 4 . . . . 232 LYS HZ1 . 18874 1 306 . 1 1 46 46 LYS HZ2 H 1 7.610 0.01 . 4 . . . . 232 LYS HZ2 . 18874 1 307 . 1 1 46 46 LYS HZ3 H 1 7.610 0.01 . 4 . . . . 232 LYS HZ2 . 18874 1 308 . 1 1 46 46 LYS N N 15 126.250 0.1 . 1 . . . . 232 LYS N . 18874 1 309 . 1 1 47 47 PRO HA H 1 4.403 0.01 . 1 . . . . 233 PRO HA . 18874 1 310 . 1 1 47 47 PRO HB2 H 1 1.928 0.01 . 2 . . . . 233 PRO HB2 . 18874 1 311 . 1 1 47 47 PRO HB3 H 1 2.306 0.01 . 2 . . . . 233 PRO HB3 . 18874 1 312 . 1 1 47 47 PRO HG2 H 1 1.735 0.01 . 2 . . . . 233 PRO HG2 . 18874 1 313 . 1 1 47 47 PRO HG3 H 1 1.810 0.01 . 2 . . . . 233 PRO HG3 . 18874 1 314 . 1 1 47 47 PRO HD2 H 1 3.349 0.01 . 2 . . . . 233 PRO HD2 . 18874 1 315 . 1 1 47 47 PRO HD3 H 1 3.548 0.01 . 2 . . . . 233 PRO HD3 . 18874 1 316 . 1 1 48 48 ARG H H 1 8.578 0.01 . 1 . . . . 234 ARG HN . 18874 1 317 . 1 1 48 48 ARG HA H 1 4.326 0.01 . 1 . . . . 234 ARG HA . 18874 1 318 . 1 1 48 48 ARG HB2 H 1 1.746 0.01 . 2 . . . . 234 ARG HB2 . 18874 1 319 . 1 1 48 48 ARG HB3 H 1 1.858 0.01 . 2 . . . . 234 ARG HB3 . 18874 1 320 . 1 1 48 48 ARG HG2 H 1 1.650 0.01 . 2 . . . . 234 ARG HG2 . 18874 1 321 . 1 1 48 48 ARG HG3 H 1 1.743 0.01 . 2 . . . . 234 ARG HG3 . 18874 1 322 . 1 1 48 48 ARG HD2 H 1 3.216 0.01 . 2 . . . . 234 ARG HD2 . 18874 1 323 . 1 1 48 48 ARG N N 15 121.325 0.1 . 1 . . . . 234 ARG N . 18874 1 324 . 1 1 49 49 GLY H H 1 8.095 0.01 . 1 . . . . 235 GLY HN . 18874 1 325 . 1 1 49 49 GLY HA2 H 1 3.943 0.01 . 2 . . . . 235 GLY HA1 . 18874 1 326 . 1 1 49 49 GLY HA3 H 1 4.033 0.01 . 2 . . . . 235 GLY HA2 . 18874 1 327 . 1 1 49 49 GLY N N 15 110.765 0.1 . 1 . . . . 235 GLY N . 18874 1 328 . 1 1 50 50 LYS H H 1 8.172 0.01 . 1 . . . . 236 LYS HN . 18874 1 329 . 1 1 50 50 LYS HA H 1 4.254 0.01 . 1 . . . . 236 LYS HA . 18874 1 330 . 1 1 50 50 LYS HB2 H 1 1.651 0.01 . 2 . . . . 236 LYS HB2 . 18874 1 331 . 1 1 50 50 LYS HG2 H 1 1.293 0.01 . 2 . . . . 236 LYS HG2 . 18874 1 332 . 1 1 50 50 LYS HD2 H 1 1.532 0.01 . 2 . . . . 236 LYS HD2 . 18874 1 333 . 1 1 50 50 LYS HE2 H 1 3.009 0.01 . 2 . . . . 236 LYS HE2 . 18874 1 334 . 1 1 50 50 LYS HZ1 H 1 6.989 0.01 . 4 . . . . 236 LYS HZ1 . 18874 1 335 . 1 1 50 50 LYS HZ2 H 1 7.116 0.01 . 4 . . . . 236 LYS HZ2 . 18874 1 336 . 1 1 50 50 LYS HZ3 H 1 7.116 0.01 . 4 . . . . 236 LYS HZ2 . 18874 1 337 . 1 1 50 50 LYS N N 15 120.198 0.1 . 1 . . . . 236 LYS N . 18874 1 338 . 1 1 51 51 TRP H H 1 9.523 0.01 . 1 . . . . 237 TRP HN . 18874 1 339 . 1 1 51 51 TRP HA H 1 4.299 0.01 . 1 . . . . 237 TRP HA . 18874 1 340 . 1 1 51 51 TRP HB2 H 1 2.678 0.01 . 2 . . . . 237 TRP HB2 . 18874 1 341 . 1 1 51 51 TRP HB3 H 1 3.164 0.01 . 2 . . . . 237 TRP HB3 . 18874 1 342 . 1 1 51 51 TRP HD1 H 1 7.175 0.01 . 1 . . . . 237 TRP HD1 . 18874 1 343 . 1 1 51 51 TRP HE1 H 1 9.912 0.01 . 1 . . . . 237 TRP HE1 . 18874 1 344 . 1 1 51 51 TRP HE3 H 1 7.427 0.01 . 1 . . . . 237 TRP HE3 . 18874 1 345 . 1 1 51 51 TRP HZ2 H 1 6.918 0.01 . 1 . . . . 237 TRP HZ2 . 18874 1 346 . 1 1 51 51 TRP HZ3 H 1 6.375 0.01 . 1 . . . . 237 TRP HZ3 . 18874 1 347 . 1 1 51 51 TRP HH2 H 1 5.827 0.01 . 1 . . . . 237 TRP HH2 . 18874 1 348 . 1 1 51 51 TRP N N 15 126.104 0.1 . 1 . . . . 237 TRP N . 18874 1 349 . 1 1 51 51 TRP NE1 N 15 128.570 0.01 . 1 . . . . 237 TRP NE1 . 18874 1 350 . 1 1 52 52 PHE H H 1 6.855 0.01 . 1 . . . . 238 PHE HN . 18874 1 351 . 1 1 52 52 PHE HA H 1 5.103 0.01 . 1 . . . . 238 PHE HA . 18874 1 352 . 1 1 52 52 PHE HB2 H 1 2.279 0.01 . 2 . . . . 238 PHE HB2 . 18874 1 353 . 1 1 52 52 PHE HB3 H 1 2.463 0.01 . 2 . . . . 238 PHE HB3 . 18874 1 354 . 1 1 52 52 PHE HD1 H 1 7.018 0.01 . 3 . . . . 238 PHE HD1 . 18874 1 355 . 1 1 52 52 PHE N N 15 123.597 0.1 . 1 . . . . 238 PHE N . 18874 1 356 . 1 1 53 53 CYS H H 1 9.029 0.01 . 1 . . . . 239 CYS HN . 18874 1 357 . 1 1 53 53 CYS HA H 1 3.570 0.01 . 1 . . . . 239 CYS HA . 18874 1 358 . 1 1 53 53 CYS HB2 H 1 1.929 0.01 . 2 . . . . 239 CYS HB2 . 18874 1 359 . 1 1 53 53 CYS HB3 H 1 2.290 0.01 . 2 . . . . 239 CYS HB3 . 18874 1 360 . 1 1 53 53 CYS N N 15 126.429 0.1 . 1 . . . . 239 CYS N . 18874 1 361 . 1 1 54 54 PRO HA H 1 4.133 0.01 . 1 . . . . 240 PRO HA . 18874 1 362 . 1 1 54 54 PRO HB2 H 1 1.904 0.01 . 2 . . . . 240 PRO HB2 . 18874 1 363 . 1 1 54 54 PRO HB3 H 1 2.443 0.01 . 2 . . . . 240 PRO HB3 . 18874 1 364 . 1 1 54 54 PRO HG2 H 1 2.102 0.01 . 2 . . . . 240 PRO HG2 . 18874 1 365 . 1 1 54 54 PRO HG3 H 1 2.151 0.01 . 2 . . . . 240 PRO HG3 . 18874 1 366 . 1 1 54 54 PRO HD2 H 1 3.362 0.01 . 2 . . . . 240 PRO HD2 . 18874 1 367 . 1 1 54 54 PRO HD3 H 1 3.522 0.01 . 2 . . . . 240 PRO HD3 . 18874 1 368 . 1 1 55 55 ARG H H 1 8.162 0.01 . 1 . . . . 241 ARG HN . 18874 1 369 . 1 1 55 55 ARG HA H 1 4.195 0.01 . 1 . . . . 241 ARG HA . 18874 1 370 . 1 1 55 55 ARG HB2 H 1 2.043 0.01 . 2 . . . . 241 ARG HB2 . 18874 1 371 . 1 1 55 55 ARG HG2 H 1 1.670 0.01 . 2 . . . . 241 ARG HG2 . 18874 1 372 . 1 1 55 55 ARG HG3 H 1 1.748 0.01 . 2 . . . . 241 ARG HG3 . 18874 1 373 . 1 1 55 55 ARG HD2 H 1 3.260 0.01 . 2 . . . . 241 ARG HD2 . 18874 1 374 . 1 1 55 55 ARG N N 15 118.376 0.1 . 1 . . . . 241 ARG N . 18874 1 375 . 1 1 56 56 CYS H H 1 8.895 0.01 . 1 . . . . 242 CYS HN . 18874 1 376 . 1 1 56 56 CYS HA H 1 3.853 0.01 . 1 . . . . 242 CYS HA . 18874 1 377 . 1 1 56 56 CYS HB2 H 1 2.632 0.01 . 2 . . . . 242 CYS HB2 . 18874 1 378 . 1 1 56 56 CYS HB3 H 1 3.026 0.01 . 2 . . . . 242 CYS HB3 . 18874 1 379 . 1 1 56 56 CYS N N 15 125.969 0.1 . 1 . . . . 242 CYS N . 18874 1 380 . 1 1 57 57 SER H H 1 8.523 0.01 . 1 . . . . 243 SER HN . 18874 1 381 . 1 1 57 57 SER HA H 1 3.838 0.01 . 1 . . . . 243 SER HA . 18874 1 382 . 1 1 57 57 SER HB2 H 1 3.628 0.01 . 2 . . . . 243 SER HB2 . 18874 1 383 . 1 1 57 57 SER HB3 H 1 3.771 0.01 . 2 . . . . 243 SER HB3 . 18874 1 384 . 1 1 57 57 SER N N 15 113.360 0.1 . 1 . . . . 243 SER N . 18874 1 385 . 1 1 58 58 GLN H H 1 7.319 0.01 . 1 . . . . 244 GLN HN . 18874 1 386 . 1 1 58 58 GLN HA H 1 4.094 0.01 . 1 . . . . 244 GLN HA . 18874 1 387 . 1 1 58 58 GLN HB2 H 1 2.111 0.01 . 2 . . . . 244 GLN HB2 . 18874 1 388 . 1 1 58 58 GLN HB3 H 1 2.135 0.01 . 2 . . . . 244 GLN HB3 . 18874 1 389 . 1 1 58 58 GLN HG2 H 1 2.396 0.01 . 2 . . . . 244 GLN HG2 . 18874 1 390 . 1 1 58 58 GLN HG3 H 1 2.419 0.01 . 2 . . . . 244 GLN HG3 . 18874 1 391 . 1 1 58 58 GLN HE21 H 1 6.861 0.01 . 2 . . . . 244 GLN HE21 . 18874 1 392 . 1 1 58 58 GLN HE22 H 1 7.483 0.01 . 2 . . . . 244 GLN HE22 . 18874 1 393 . 1 1 58 58 GLN N N 15 119.601 0.1 . 1 . . . . 244 GLN N . 18874 1 394 . 1 1 58 58 GLN NE2 N 15 112.357 0.1 . 1 . . . . 244 GLN NE2 . 18874 1 395 . 1 1 59 59 GLU H H 1 7.938 0.01 . 1 . . . . 245 GLU HN . 18874 1 396 . 1 1 59 59 GLU HA H 1 4.080 0.01 . 1 . . . . 245 GLU HA . 18874 1 397 . 1 1 59 59 GLU HB2 H 1 1.939 0.01 . 2 . . . . 245 GLU HB2 . 18874 1 398 . 1 1 59 59 GLU HB3 H 1 2.028 0.01 . 2 . . . . 245 GLU HB3 . 18874 1 399 . 1 1 59 59 GLU HG2 H 1 2.259 0.01 . 2 . . . . 245 GLU HG2 . 18874 1 400 . 1 1 59 59 GLU HG3 H 1 2.297 0.01 . 2 . . . . 245 GLU HG3 . 18874 1 401 . 1 1 59 59 GLU N N 15 119.379 0.1 . 1 . . . . 245 GLU N . 18874 1 402 . 1 1 60 60 ARG H H 1 7.893 0.01 . 1 . . . . 246 ARG HN . 18874 1 403 . 1 1 60 60 ARG HA H 1 4.120 0.01 . 1 . . . . 246 ARG HA . 18874 1 404 . 1 1 60 60 ARG HB2 H 1 1.569 0.01 . 2 . . . . 246 ARG HB2 . 18874 1 405 . 1 1 60 60 ARG HB3 H 1 1.745 0.01 . 2 . . . . 246 ARG HB3 . 18874 1 406 . 1 1 60 60 ARG HG2 H 1 1.481 0.01 . 2 . . . . 246 ARG HG2 . 18874 1 407 . 1 1 60 60 ARG HD2 H 1 2.676 0.01 . 2 . . . . 246 ARG HD2 . 18874 1 408 . 1 1 60 60 ARG HD3 H 1 2.775 0.01 . 2 . . . . 246 ARG HD3 . 18874 1 409 . 1 1 60 60 ARG N N 15 118.890 0.1 . 1 . . . . 246 ARG N . 18874 1 410 . 1 1 61 61 LYS H H 1 7.684 0.01 . 1 . . . . 247 LYS HN . 18874 1 411 . 1 1 61 61 LYS HA H 1 4.196 0.01 . 1 . . . . 247 LYS HA . 18874 1 412 . 1 1 61 61 LYS HB2 H 1 1.743 0.01 . 2 . . . . 247 LYS HB2 . 18874 1 413 . 1 1 61 61 LYS HB3 H 1 1.822 0.01 . 2 . . . . 247 LYS HB3 . 18874 1 414 . 1 1 61 61 LYS HG2 H 1 1.379 0.01 . 2 . . . . 247 LYS HG2 . 18874 1 415 . 1 1 61 61 LYS HG3 H 1 1.451 0.01 . 2 . . . . 247 LYS HG3 . 18874 1 416 . 1 1 61 61 LYS N N 15 120.108 0.1 . 1 . . . . 247 LYS N . 18874 1 417 . 1 1 62 62 LYS H H 1 7.946 0.01 . 1 . . . . 248 LYS HN . 18874 1 418 . 1 1 62 62 LYS HA H 1 4.252 0.01 . 1 . . . . 248 LYS HA . 18874 1 419 . 1 1 62 62 LYS HB2 H 1 1.723 0.01 . 2 . . . . 248 LYS HB2 . 18874 1 420 . 1 1 62 62 LYS HB3 H 1 1.833 0.01 . 2 . . . . 248 LYS HB3 . 18874 1 421 . 1 1 62 62 LYS HG2 H 1 1.396 0.01 . 2 . . . . 248 LYS HG2 . 18874 1 422 . 1 1 62 62 LYS HD2 H 1 1.637 0.01 . 2 . . . . 248 LYS HD2 . 18874 1 423 . 1 1 62 62 LYS N N 15 121.859 0.1 . 1 . . . . 248 LYS N . 18874 1 424 . 1 1 63 63 LYS H H 1 7.772 0.01 . 1 . . . . 249 LYS HN . 18874 1 425 . 1 1 63 63 LYS HA H 1 4.123 0.01 . 1 . . . . 249 LYS HA . 18874 1 426 . 1 1 63 63 LYS HB2 H 1 1.686 0.01 . 2 . . . . 249 LYS HB2 . 18874 1 427 . 1 1 63 63 LYS HB3 H 1 1.801 0.01 . 2 . . . . 249 LYS HB3 . 18874 1 428 . 1 1 63 63 LYS HG2 H 1 1.372 0.01 . 2 . . . . 249 LYS HG2 . 18874 1 429 . 1 1 63 63 LYS N N 15 127.541 0.1 . 1 . . . . 249 LYS N . 18874 1 stop_ save_