data_18198 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18198 _Entry.Title ; Chemical Shift Assignment of the PP1 Binding Domain of NIPP1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-17 _Entry.Accession_date 2012-01-17 _Entry.Last_release_date . _Entry.Original_release_date . _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 . _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 Nichole O'Connell . E . 18198 2 Scott Nichols . . . 18198 3 Wolfgang Peti . . . 18198 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18198 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 167 18198 '15N chemical shifts' 81 18198 '1H chemical shifts' 81 18198 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 2 . . 2013-02-12 2012-01-17 update BMRB 'update entry citation' 18198 1 . . 2012-09-14 2012-01-17 original author 'original release' 18198 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18198 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22940584 _Citation.Full_citation . _Citation.Title 'The molecular basis for substrate specificity of the nuclear NIPP1:PP1 holoenzyme.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 20 _Citation.Journal_issue 10 _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 1746 _Citation.Page_last 1756 _Citation.Year 2012 _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 Nichole Nichols . . . 18198 1 2 Scott Heroes . R. . 18198 1 3 Ewald Beullens . . . 18198 1 4 Monique Bollen . . . 18198 1 5 Mathieu Peti . . . 18198 1 6 Wolfgang Page . . . 18198 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18198 _Assembly.ID 1 _Assembly.Name 'NIPP1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass 9858.8 _Assembly.Enzyme_commission_number . _Assembly.Details 'NIPP1 144-225' _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 'PP1 binding domain' 1 $NIPP1 A . yes 'intrinsically disordered' no no . . . 18198 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 PDB 3V4Y . . . . . . 18198 1 yes UNP Q12972 . . . . . . 18198 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NIPP1 _Entity.Sf_category entity _Entity.Sf_framecode NIPP1 _Entity.Entry_ID 18198 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NIPP1 _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 ; GAMGASGGEDDELKGLLGLP EEETELDNLTEFNTAHNKRI STLTIEEGNLDIQRPKRKRK NSRVTFSEDDEIINPEDVDP SVGRFRNM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-6 are cloning artifacts; protein phosphatase 1 binding domain of NIPP1 (residues 144-225) are 7-end' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Protein phosphatase 1 binding domain of NIPP1' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 no DBJ BAC27653 . "unnamed protein product [Mus musculus]" . . . . . 93.18 306 100.00 100.00 2.46e-48 . . . . 18198 1 2 no DBJ BAF84766 . "unnamed protein product [Homo sapiens]" . . . . . 93.18 351 100.00 100.00 7.20e-48 . . . . 18198 1 3 no DBJ BAG73611 . "protein phosphatase 1, regulatory (inhibitor) subunit 8 [synthetic construct]" . . . . . 93.18 351 100.00 100.00 7.20e-48 . . . . 18198 1 4 no EMBL CAA90625 . "NIPP-1, nuclear inhibitor of protein phosphatase-1 [Bos taurus]" . . . . . 93.18 351 100.00 100.00 5.52e-48 . . . . 18198 1 5 no EMBL CAG31586 . "hypothetical protein RCJMB04_8f7 [Gallus gallus]" . . . . . 93.18 354 97.56 100.00 1.71e-46 . . . . 18198 1 6 no GB AAD22486 . "nuclear inhibitor of phosphatase-1 [Homo sapiens]" . . . . . 93.18 351 100.00 100.00 7.20e-48 . . . . 18198 1 7 no GB AAD24669 . "nuclear inhibitor of protein phosphatase-1 alpha [Homo sapiens]" . . . . . 93.18 351 100.00 100.00 7.20e-48 . . . . 18198 1 8 no GB AAD24670 . "nuclear inhibitor of protein phosphatase-1 beta [Homo sapiens]" . . . . . 93.18 209 100.00 100.00 2.67e-49 . . . . 18198 1 9 no GB AAD31541 . "nuclear inhibitor of protein phosphatase-1 alpha [Homo sapiens]" . . . . . 93.18 351 100.00 100.00 7.20e-48 . . . . 18198 1 10 no GB AAD31542 . "nuclear inhibitor of protein phosphatase-1 beta [Homo sapiens]" . . . . . 93.18 209 100.00 100.00 2.67e-49 . . . . 18198 1 11 no REF NP_001026062 . "nuclear inhibitor of protein phosphatase 1 [Gallus gallus]" . . . . . 93.18 354 97.56 100.00 1.36e-46 . . . . 18198 1 12 no REF NP_001101381 . "nuclear inhibitor of protein phosphatase 1 [Rattus norvegicus]" . . . . . 93.18 351 98.78 100.00 2.42e-47 . . . . 18198 1 13 no REF NP_001230343 . "nuclear inhibitor of protein phosphatase 1 [Sus scrofa]" . . . . . 93.18 351 100.00 100.00 7.36e-48 . . . . 18198 1 14 no REF NP_001253391 . "nuclear inhibitor of protein phosphatase 1 [Macaca mulatta]" . . . . . 93.18 351 100.00 100.00 7.20e-48 . . . . 18198 1 15 no REF NP_001277654 . "nuclear inhibitor of protein phosphatase 1 isoform 2 [Mus musculus]" . . . . . 93.18 350 100.00 100.00 7.51e-48 . . . . 18198 1 16 no SP Q12972 . "RecName: Full=Nuclear inhibitor of protein phosphatase 1; Short=NIPP-1; AltName: Full=Protein phosphatase 1 regulatory inhibito" . . . . . 93.18 351 100.00 100.00 7.20e-48 . . . . 18198 1 17 no SP Q28147 . "RecName: Full=Nuclear inhibitor of protein phosphatase 1; Short=NIPP-1; AltName: Full=Protein phosphatase 1 regulatory inhibito" . . . . . 93.18 351 100.00 100.00 5.52e-48 . . . . 18198 1 18 no SP Q8R3G1 . "RecName: Full=Nuclear inhibitor of protein phosphatase 1; Short=NIPP-1; AltName: Full=Protein phosphatase 1 regulatory inhibito" . . . . . 93.18 351 100.00 100.00 6.98e-48 . . . . 18198 1 19 no TPG DAA32062 . "TPA: nuclear inhibitor of protein phosphatase 1 [Bos taurus]" . . . . . 93.18 351 100.00 100.00 7.20e-48 . . . . 18198 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Regulatory/targeting subunit of nuclear PP1' 18198 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 1 138 GLY . 18198 1 2 139 ALA . 18198 1 3 140 MET . 18198 1 4 141 GLY . 18198 1 5 142 ALA . 18198 1 6 143 SER . 18198 1 7 144 GLY . 18198 1 8 145 GLY . 18198 1 9 146 GLU . 18198 1 10 147 ASP . 18198 1 11 148 ASP . 18198 1 12 149 GLU . 18198 1 13 150 LEU . 18198 1 14 151 LYS . 18198 1 15 152 GLY . 18198 1 16 153 LEU . 18198 1 17 154 LEU . 18198 1 18 155 GLY . 18198 1 19 156 LEU . 18198 1 20 157 PRO . 18198 1 21 158 GLU . 18198 1 22 159 GLU . 18198 1 23 160 GLU . 18198 1 24 161 THR . 18198 1 25 162 GLU . 18198 1 26 163 LEU . 18198 1 27 164 ASP . 18198 1 28 165 ASN . 18198 1 29 166 LEU . 18198 1 30 167 THR . 18198 1 31 168 GLU . 18198 1 32 169 PHE . 18198 1 33 170 ASN . 18198 1 34 171 THR . 18198 1 35 172 ALA . 18198 1 36 173 HIS . 18198 1 37 174 ASN . 18198 1 38 175 LYS . 18198 1 39 176 ARG . 18198 1 40 177 ILE . 18198 1 41 178 SER . 18198 1 42 179 THR . 18198 1 43 180 LEU . 18198 1 44 181 THR . 18198 1 45 182 ILE . 18198 1 46 183 GLU . 18198 1 47 184 GLU . 18198 1 48 185 GLY . 18198 1 49 186 ASN . 18198 1 50 187 LEU . 18198 1 51 188 ASP . 18198 1 52 189 ILE . 18198 1 53 190 GLN . 18198 1 54 191 ARG . 18198 1 55 192 PRO . 18198 1 56 193 LYS . 18198 1 57 194 ARG . 18198 1 58 195 LYS . 18198 1 59 196 ARG . 18198 1 60 197 LYS . 18198 1 61 198 ASN . 18198 1 62 199 SER . 18198 1 63 200 ARG . 18198 1 64 201 VAL . 18198 1 65 202 THR . 18198 1 66 203 PHE . 18198 1 67 204 SER . 18198 1 68 205 GLU . 18198 1 69 206 ASP . 18198 1 70 207 ASP . 18198 1 71 208 GLU . 18198 1 72 209 ILE . 18198 1 73 210 ILE . 18198 1 74 211 ASN . 18198 1 75 212 PRO . 18198 1 76 213 GLU . 18198 1 77 214 ASP . 18198 1 78 215 VAL . 18198 1 79 216 ASP . 18198 1 80 217 PRO . 18198 1 81 218 SER . 18198 1 82 219 VAL . 18198 1 83 220 GLY . 18198 1 84 221 ARG . 18198 1 85 222 PHE . 18198 1 86 223 ARG . 18198 1 87 224 ASN . 18198 1 88 225 MET . 18198 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18198 1 . ALA 2 2 18198 1 . MET 3 3 18198 1 . GLY 4 4 18198 1 . ALA 5 5 18198 1 . SER 6 6 18198 1 . GLY 7 7 18198 1 . GLY 8 8 18198 1 . GLU 9 9 18198 1 . ASP 10 10 18198 1 . ASP 11 11 18198 1 . GLU 12 12 18198 1 . LEU 13 13 18198 1 . LYS 14 14 18198 1 . GLY 15 15 18198 1 . LEU 16 16 18198 1 . LEU 17 17 18198 1 . GLY 18 18 18198 1 . LEU 19 19 18198 1 . PRO 20 20 18198 1 . GLU 21 21 18198 1 . GLU 22 22 18198 1 . GLU 23 23 18198 1 . THR 24 24 18198 1 . GLU 25 25 18198 1 . LEU 26 26 18198 1 . ASP 27 27 18198 1 . ASN 28 28 18198 1 . LEU 29 29 18198 1 . THR 30 30 18198 1 . GLU 31 31 18198 1 . PHE 32 32 18198 1 . ASN 33 33 18198 1 . THR 34 34 18198 1 . ALA 35 35 18198 1 . HIS 36 36 18198 1 . ASN 37 37 18198 1 . LYS 38 38 18198 1 . ARG 39 39 18198 1 . ILE 40 40 18198 1 . SER 41 41 18198 1 . THR 42 42 18198 1 . LEU 43 43 18198 1 . THR 44 44 18198 1 . ILE 45 45 18198 1 . GLU 46 46 18198 1 . GLU 47 47 18198 1 . GLY 48 48 18198 1 . ASN 49 49 18198 1 . LEU 50 50 18198 1 . ASP 51 51 18198 1 . ILE 52 52 18198 1 . GLN 53 53 18198 1 . ARG 54 54 18198 1 . PRO 55 55 18198 1 . LYS 56 56 18198 1 . ARG 57 57 18198 1 . LYS 58 58 18198 1 . ARG 59 59 18198 1 . LYS 60 60 18198 1 . ASN 61 61 18198 1 . SER 62 62 18198 1 . ARG 63 63 18198 1 . VAL 64 64 18198 1 . THR 65 65 18198 1 . PHE 66 66 18198 1 . SER 67 67 18198 1 . GLU 68 68 18198 1 . ASP 69 69 18198 1 . ASP 70 70 18198 1 . GLU 71 71 18198 1 . ILE 72 72 18198 1 . ILE 73 73 18198 1 . ASN 74 74 18198 1 . PRO 75 75 18198 1 . GLU 76 76 18198 1 . ASP 77 77 18198 1 . VAL 78 78 18198 1 . ASP 79 79 18198 1 . PRO 80 80 18198 1 . SER 81 81 18198 1 . VAL 82 82 18198 1 . GLY 83 83 18198 1 . ARG 84 84 18198 1 . PHE 85 85 18198 1 . ARG 86 86 18198 1 . ASN 87 87 18198 1 . MET 88 88 18198 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18198 _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 $NIPP1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18198 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 18198 _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 $NIPP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET M30-MBP' . . . . . . 18198 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18198 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 NIPP1 '[U-99% 13C; U-99% 15N]' . . 1 $NIPP1 . . 1 . . mM . . . . 18198 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18198 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18198 1 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18198 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18198 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 NIPP1 '[U-98% 15N]' . . 1 $NIPP1 . . 1 . . mM . . . . 18198 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18198 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18198 2 4 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 18198 2 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 18198 _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' 50 . mM 18198 1 pH 6.6 . pH 18198 1 pressure 1 . atm 18198 1 temperature 298 . K 18198 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18198 _Software.ID 1 _Software.Name CARA _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18198 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18198 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18198 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18198 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18198 2 processing 18198 2 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 18198 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18198 _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 . 500 . . . 18198 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 18198 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18198 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18198 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18198 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18198 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18198 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18198 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 18198 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18198 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18198 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18198 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 18198 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 18198 1 2 '3D HNCACB' . . . 18198 1 3 '3D CBCA(CO)NH' . . . 18198 1 4 '3D C(CO)NH' . . . 18198 1 6 '2D 1H-15N HSQC' . . . 18198 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 ALA CA C 13 52.593 0.20 . 1 . . . . 139 ALA CA . 18198 1 2 . 1 1 2 2 ALA CB C 13 19.336 0.20 . 1 . . . . 139 ALA CB . 18198 1 3 . 1 1 3 3 MET H H 1 8.492 0.003 . 1 . . . . 140 MET H . 18198 1 4 . 1 1 3 3 MET CA C 13 55.581 0.20 . 1 . . . . 140 MET CA . 18198 1 5 . 1 1 3 3 MET CB C 13 32.488 0.20 . 1 . . . . 140 MET CB . 18198 1 6 . 1 1 3 3 MET N N 15 119.782 0.04 . 1 . . . . 140 MET N . 18198 1 7 . 1 1 4 4 GLY H H 1 8.334 0.003 . 1 . . . . 141 GLY H . 18198 1 8 . 1 1 4 4 GLY CA C 13 45.17 0.20 . 1 . . . . 141 GLY CA . 18198 1 9 . 1 1 4 4 GLY N N 15 110.553 0.04 . 1 . . . . 141 GLY N . 18198 1 10 . 1 1 5 5 ALA H H 1 8.126 0.003 . 1 . . . . 142 ALA H . 18198 1 11 . 1 1 5 5 ALA CA C 13 52.529 0.20 . 1 . . . . 142 ALA CA . 18198 1 12 . 1 1 5 5 ALA CB C 13 19.336 0.20 . 1 . . . . 142 ALA CB . 18198 1 13 . 1 1 5 5 ALA N N 15 124.018 0.04 . 1 . . . . 142 ALA N . 18198 1 14 . 1 1 6 6 SER H H 1 8.353 0.003 . 1 . . . . 143 SER H . 18198 1 15 . 1 1 6 6 SER CA C 13 58.44 0.20 . 1 . . . . 143 SER CA . 18198 1 16 . 1 1 6 6 SER CB C 13 63.833 0.20 . 1 . . . . 143 SER CB . 18198 1 17 . 1 1 6 6 SER N N 15 115.335 0.04 . 1 . . . . 143 SER N . 18198 1 18 . 1 1 7 7 GLY H H 1 8.418 0.003 . 1 . . . . 144 GLY H . 18198 1 19 . 1 1 7 7 GLY CA C 13 45.392 0.20 . 1 . . . . 144 GLY CA . 18198 1 20 . 1 1 7 7 GLY N N 15 111.075 0.04 . 1 . . . . 144 GLY N . 18198 1 21 . 1 1 8 8 GLY H H 1 8.218 0.003 . 1 . . . . 145 GLY H . 18198 1 22 . 1 1 8 8 GLY CA C 13 45.256 0.20 . 1 . . . . 145 GLY CA . 18198 1 23 . 1 1 8 8 GLY N N 15 108.879 0.04 . 1 . . . . 145 GLY N . 18198 1 24 . 1 1 9 9 GLU H H 1 8.408 0.003 . 1 . . . . 146 GLU H . 18198 1 25 . 1 1 9 9 GLU CA C 13 56.935 0.20 . 1 . . . . 146 GLU CA . 18198 1 26 . 1 1 9 9 GLU CB C 13 30.077 0.20 . 1 . . . . 146 GLU CB . 18198 1 27 . 1 1 9 9 GLU N N 15 120.563 0.04 . 1 . . . . 146 GLU N . 18198 1 28 . 1 1 10 10 ASP H H 1 8.312 0.003 . 1 . . . . 147 ASP H . 18198 1 29 . 1 1 10 10 ASP CA C 13 54.528 0.20 . 1 . . . . 147 ASP CA . 18198 1 30 . 1 1 10 10 ASP CB C 13 41.036 0.20 . 1 . . . . 147 ASP CB . 18198 1 31 . 1 1 10 10 ASP N N 15 120.488 0.04 . 1 . . . . 147 ASP N . 18198 1 32 . 1 1 11 11 ASP H H 1 8.107 0.003 . 1 . . . . 148 ASP H . 18198 1 33 . 1 1 11 11 ASP CA C 13 55.022 0.20 . 1 . . . . 148 ASP CA . 18198 1 34 . 1 1 11 11 ASP CB C 13 41.036 0.20 . 1 . . . . 148 ASP CB . 18198 1 35 . 1 1 11 11 ASP N N 15 120.993 0.04 . 1 . . . . 148 ASP N . 18198 1 36 . 1 1 12 12 GLU H H 1 8.316 0.003 . 1 . . . . 149 GLU H . 18198 1 37 . 1 1 12 12 GLU CA C 13 57.537 0.20 . 1 . . . . 149 GLU CA . 18198 1 38 . 1 1 12 12 GLU CB C 13 29.803 0.20 . 1 . . . . 149 GLU CB . 18198 1 39 . 1 1 12 12 GLU N N 15 121.064 0.04 . 1 . . . . 149 GLU N . 18198 1 40 . 1 1 13 13 LEU H H 1 8.048 0.003 . 1 . . . . 150 LEU H . 18198 1 41 . 1 1 13 13 LEU CA C 13 55.502 0.20 . 1 . . . . 150 LEU CA . 18198 1 42 . 1 1 13 13 LEU CB C 13 41.749 0.20 . 1 . . . . 150 LEU CB . 18198 1 43 . 1 1 13 13 LEU N N 15 121.276 0.04 . 1 . . . . 150 LEU N . 18198 1 44 . 1 1 14 14 LYS H H 1 7.916 0.003 . 1 . . . . 151 LYS H . 18198 1 45 . 1 1 14 14 LYS CA C 13 57.107 0.20 . 1 . . . . 151 LYS CA . 18198 1 46 . 1 1 14 14 LYS CB C 13 32.707 0.20 . 1 . . . . 151 LYS CB . 18198 1 47 . 1 1 14 14 LYS N N 15 120.69 0.04 . 1 . . . . 151 LYS N . 18198 1 48 . 1 1 15 15 GLY H H 1 8.178 0.003 . 1 . . . . 152 GLY H . 18198 1 49 . 1 1 15 15 GLY CA C 13 45.406 0.20 . 1 . . . . 152 GLY CA . 18198 1 50 . 1 1 15 15 GLY N N 15 108.649 0.04 . 1 . . . . 152 GLY N . 18198 1 51 . 1 1 16 16 LEU H H 1 7.867 0.003 . 1 . . . . 153 LEU H . 18198 1 52 . 1 1 16 16 LEU CA C 13 55.345 0.20 . 1 . . . . 153 LEU CA . 18198 1 53 . 1 1 16 16 LEU CB C 13 42.187 0.20 . 1 . . . . 153 LEU CB . 18198 1 54 . 1 1 16 16 LEU N N 15 121.202 0.04 . 1 . . . . 153 LEU N . 18198 1 55 . 1 1 17 17 LEU H H 1 8.063 0.003 . 1 . . . . 154 LEU H . 18198 1 56 . 1 1 17 17 LEU CA C 13 55.216 0.20 . 1 . . . . 154 LEU CA . 18198 1 57 . 1 1 17 17 LEU CB C 13 42.297 0.20 . 1 . . . . 154 LEU CB . 18198 1 58 . 1 1 17 17 LEU N N 15 121.572 0.04 . 1 . . . . 154 LEU N . 18198 1 59 . 1 1 18 18 GLY H H 1 8.139 0.003 . 1 . . . . 155 GLY H . 18198 1 60 . 1 1 18 18 GLY CA C 13 45.082 0.20 . 1 . . . . 155 GLY CA . 18198 1 61 . 1 1 18 18 GLY N N 15 109.038 0.04 . 1 . . . . 155 GLY N . 18198 1 62 . 1 1 19 19 LEU H H 1 7.954 0.003 . 1 . . . . 156 LEU H . 18198 1 63 . 1 1 19 19 LEU CA C 13 52.958 0.20 . 1 . . . . 156 LEU CA . 18198 1 64 . 1 1 19 19 LEU CB C 13 41.475 0.20 . 1 . . . . 156 LEU CB . 18198 1 65 . 1 1 19 19 LEU N N 15 122.621 0.04 . 1 . . . . 156 LEU N . 18198 1 66 . 1 1 20 20 PRO CA C 13 63.169 0.20 . 1 . . . . 157 PRO CA . 18198 1 67 . 1 1 20 20 PRO CB C 13 31.885 0.20 . 1 . . . . 157 PRO CB . 18198 1 68 . 1 1 21 21 GLU H H 1 8.476 0.003 . 1 . . . . 158 GLU H . 18198 1 69 . 1 1 21 21 GLU CA C 13 56.785 0.20 . 1 . . . . 158 GLU CA . 18198 1 70 . 1 1 21 21 GLU CB C 13 30.241 0.20 . 1 . . . . 158 GLU CB . 18198 1 71 . 1 1 21 21 GLU N N 15 121.043 0.04 . 1 . . . . 158 GLU N . 18198 1 72 . 1 1 22 22 GLU H H 1 8.331 0.003 . 1 . . . . 159 GLU H . 18198 1 73 . 1 1 22 22 GLU CA C 13 56.548 0.20 . 1 . . . . 159 GLU CA . 18198 1 74 . 1 1 22 22 GLU CB C 13 30.405 0.20 . 1 . . . . 159 GLU CB . 18198 1 75 . 1 1 22 22 GLU N N 15 121.428 0.04 . 1 . . . . 159 GLU N . 18198 1 76 . 1 1 23 23 GLU H H 1 8.357 0.003 . 1 . . . . 160 GLU H . 18198 1 77 . 1 1 23 23 GLU CA C 13 56.548 0.20 . 1 . . . . 160 GLU CA . 18198 1 78 . 1 1 23 23 GLU CB C 13 30.405 0.20 . 1 . . . . 160 GLU CB . 18198 1 79 . 1 1 23 23 GLU N N 15 122.166 0.04 . 1 . . . . 160 GLU N . 18198 1 80 . 1 1 24 24 THR H H 1 8.096 0.003 . 1 . . . . 161 THR H . 18198 1 81 . 1 1 24 24 THR CA C 13 61.957 0.20 . 1 . . . . 161 THR CA . 18198 1 82 . 1 1 24 24 THR CB C 13 70.087 0.20 . 1 . . . . 161 THR CB . 18198 1 83 . 1 1 24 24 THR N N 15 115.35 0.04 . 1 . . . . 161 THR N . 18198 1 84 . 1 1 25 25 GLU H H 1 8.379 0.003 . 1 . . . . 162 GLU H . 18198 1 85 . 1 1 25 25 GLU CA C 13 56.419 0.20 . 1 . . . . 162 GLU CA . 18198 1 86 . 1 1 25 25 GLU CB C 13 30.077 0.20 . 1 . . . . 162 GLU CB . 18198 1 87 . 1 1 25 25 GLU N N 15 123.288 0.04 . 1 . . . . 162 GLU N . 18198 1 88 . 1 1 26 26 LEU H H 1 8.13 0.003 . 1 . . . . 163 LEU H . 18198 1 89 . 1 1 26 26 LEU CA C 13 55.409 0.20 . 1 . . . . 163 LEU CA . 18198 1 90 . 1 1 26 26 LEU CB C 13 42.242 0.20 . 1 . . . . 163 LEU CB . 18198 1 91 . 1 1 26 26 LEU N N 15 122.943 0.04 . 1 . . . . 163 LEU N . 18198 1 92 . 1 1 27 27 ASP H H 1 8.191 0.003 . 1 . . . . 164 ASP H . 18198 1 93 . 1 1 27 27 ASP CA C 13 54.549 0.20 . 1 . . . . 164 ASP CA . 18198 1 94 . 1 1 27 27 ASP CB C 13 41.036 0.20 . 1 . . . . 164 ASP CB . 18198 1 95 . 1 1 27 27 ASP N N 15 120.382 0.04 . 1 . . . . 164 ASP N . 18198 1 96 . 1 1 28 28 ASN H H 1 8.17 0.003 . 1 . . . . 165 ASN H . 18198 1 97 . 1 1 28 28 ASN CA C 13 53.453 0.20 . 1 . . . . 165 ASN CA . 18198 1 98 . 1 1 28 28 ASN CB C 13 38.57 0.20 . 1 . . . . 165 ASN CB . 18198 1 99 . 1 1 28 28 ASN N N 15 118.519 0.04 . 1 . . . . 165 ASN N . 18198 1 100 . 1 1 29 29 LEU H H 1 8.138 0.003 . 1 . . . . 166 LEU H . 18198 1 101 . 1 1 29 29 LEU CA C 13 55.646 0.20 . 1 . . . . 166 LEU CA . 18198 1 102 . 1 1 29 29 LEU CB C 13 42.023 0.20 . 1 . . . . 166 LEU CB . 18198 1 103 . 1 1 29 29 LEU N N 15 121.841 0.04 . 1 . . . . 166 LEU N . 18198 1 104 . 1 1 30 30 THR H H 1 7.991 0.003 . 1 . . . . 167 THR H . 18198 1 105 . 1 1 30 30 THR CA C 13 62.675 0.20 . 1 . . . . 167 THR CA . 18198 1 106 . 1 1 30 30 THR CB C 13 69.641 0.20 . 1 . . . . 167 THR CB . 18198 1 107 . 1 1 30 30 THR N N 15 114.123 0.04 . 1 . . . . 167 THR N . 18198 1 108 . 1 1 31 31 GLU H H 1 8.21 0.003 . 1 . . . . 168 GLU H . 18198 1 109 . 1 1 31 31 GLU CA C 13 57.043 0.20 . 1 . . . . 168 GLU CA . 18198 1 110 . 1 1 31 31 GLU CB C 13 30.022 0.20 . 1 . . . . 168 GLU CB . 18198 1 111 . 1 1 31 31 GLU N N 15 122.233 0.04 . 1 . . . . 168 GLU N . 18198 1 112 . 1 1 32 32 PHE H H 1 8.061 0.003 . 1 . . . . 169 PHE H . 18198 1 113 . 1 1 32 32 PHE CA C 13 58.354 0.20 . 1 . . . . 169 PHE CA . 18198 1 114 . 1 1 32 32 PHE CB C 13 39.392 0.20 . 1 . . . . 169 PHE CB . 18198 1 115 . 1 1 32 32 PHE N N 15 120.344 0.04 . 1 . . . . 169 PHE N . 18198 1 116 . 1 1 33 33 ASN H H 1 8.234 0.003 . 1 . . . . 170 ASN H . 18198 1 117 . 1 1 33 33 ASN CA C 13 53.603 0.20 . 1 . . . . 170 ASN CA . 18198 1 118 . 1 1 33 33 ASN CB C 13 38.68 0.20 . 1 . . . . 170 ASN CB . 18198 1 119 . 1 1 33 33 ASN N N 15 119.775 0.04 . 1 . . . . 170 ASN N . 18198 1 120 . 1 1 34 34 THR H H 1 7.991 0.003 . 1 . . . . 171 THR H . 18198 1 121 . 1 1 34 34 THR CA C 13 62.675 0.20 . 1 . . . . 171 THR CA . 18198 1 122 . 1 1 34 34 THR CB C 13 69.632 0.20 . 1 . . . . 171 THR CB . 18198 1 123 . 1 1 34 34 THR N N 15 114.283 0.04 . 1 . . . . 171 THR N . 18198 1 124 . 1 1 35 35 ALA H H 1 8.087 0.003 . 1 . . . . 172 ALA H . 18198 1 125 . 1 1 35 35 ALA CA C 13 53.109 0.20 . 1 . . . . 172 ALA CA . 18198 1 126 . 1 1 35 35 ALA CB C 13 18.788 0.20 . 1 . . . . 172 ALA CB . 18198 1 127 . 1 1 35 35 ALA N N 15 124.806 0.04 . 1 . . . . 172 ALA N . 18198 1 128 . 1 1 36 36 HIS H H 1 8.058 0.003 . 1 . . . . 173 HIS H . 18198 1 129 . 1 1 36 36 HIS CA C 13 56.112 0.20 . 1 . . . . 173 HIS CA . 18198 1 130 . 1 1 36 36 HIS CB C 13 29.166 0.20 . 1 . . . . 173 HIS CB . 18198 1 131 . 1 1 36 36 HIS N N 15 117.224 0.04 . 1 . . . . 173 HIS N . 18198 1 132 . 1 1 37 37 ASN H H 1 8.102 0.003 . 1 . . . . 174 ASN H . 18198 1 133 . 1 1 37 37 ASN CA C 13 53.53 0.20 . 1 . . . . 174 ASN CA . 18198 1 134 . 1 1 37 37 ASN CB C 13 38.518 0.20 . 1 . . . . 174 ASN CB . 18198 1 135 . 1 1 37 37 ASN N N 15 118.83 0.04 . 1 . . . . 174 ASN N . 18198 1 136 . 1 1 38 38 LYS H H 1 8.114 0.003 . 1 . . . . 175 LYS H . 18198 1 137 . 1 1 38 38 LYS CA C 13 56.527 0.20 . 1 . . . . 175 LYS CA . 18198 1 138 . 1 1 38 38 LYS CB C 13 32.871 0.20 . 1 . . . . 175 LYS CB . 18198 1 139 . 1 1 38 38 LYS N N 15 121.265 0.04 . 1 . . . . 175 LYS N . 18198 1 140 . 1 1 39 39 ARG H H 1 8.168 0.003 . 1 . . . . 176 ARG H . 18198 1 141 . 1 1 39 39 ARG CA C 13 56.312 0.20 . 1 . . . . 176 ARG CA . 18198 1 142 . 1 1 39 39 ARG CB C 13 30.57 0.20 . 1 . . . . 176 ARG CB . 18198 1 143 . 1 1 39 39 ARG N N 15 122.077 0.04 . 1 . . . . 176 ARG N . 18198 1 144 . 1 1 40 40 ILE H H 1 8.068 0.003 . 1 . . . . 177 ILE H . 18198 1 145 . 1 1 40 40 ILE CA C 13 61.17 0.20 . 1 . . . . 177 ILE CA . 18198 1 146 . 1 1 40 40 ILE CB C 13 38.68 0.20 . 1 . . . . 177 ILE CB . 18198 1 147 . 1 1 40 40 ILE N N 15 121.809 0.04 . 1 . . . . 177 ILE N . 18198 1 148 . 1 1 41 41 SER H H 1 8.28 0.003 . 1 . . . . 178 SER H . 18198 1 149 . 1 1 41 41 SER CA C 13 58.268 0.20 . 1 . . . . 178 SER CA . 18198 1 150 . 1 1 41 41 SER CB C 13 63.778 0.20 . 1 . . . . 178 SER CB . 18198 1 151 . 1 1 41 41 SER N N 15 119.517 0.04 . 1 . . . . 178 SER N . 18198 1 152 . 1 1 42 42 THR H H 1 8.066 0.003 . 1 . . . . 179 THR H . 18198 1 153 . 1 1 42 42 THR CA C 13 61.944 0.20 . 1 . . . . 179 THR CA . 18198 1 154 . 1 1 42 42 THR CB C 13 69.532 0.20 . 1 . . . . 179 THR CB . 18198 1 155 . 1 1 42 42 THR N N 15 116.037 0.04 . 1 . . . . 179 THR N . 18198 1 156 . 1 1 43 43 LEU H H 1 8.052 0.003 . 1 . . . . 180 LEU H . 18198 1 157 . 1 1 43 43 LEU CA C 13 55.323 0.20 . 1 . . . . 180 LEU CA . 18198 1 158 . 1 1 43 43 LEU CB C 13 42.351 0.20 . 1 . . . . 180 LEU CB . 18198 1 159 . 1 1 43 43 LEU N N 15 123.991 0.04 . 1 . . . . 180 LEU N . 18198 1 160 . 1 1 44 44 THR H H 1 8.088 0.003 . 1 . . . . 181 THR H . 18198 1 161 . 1 1 44 44 THR CA C 13 61.937 0.20 . 1 . . . . 181 THR CA . 18198 1 162 . 1 1 44 44 THR CB C 13 69.745 0.20 . 1 . . . . 181 THR CB . 18198 1 163 . 1 1 44 44 THR N N 15 115.794 0.04 . 1 . . . . 181 THR N . 18198 1 164 . 1 1 45 45 ILE H H 1 8.106 0.003 . 1 . . . . 182 ILE H . 18198 1 165 . 1 1 45 45 ILE CA C 13 61.471 0.20 . 1 . . . . 182 ILE CA . 18198 1 166 . 1 1 45 45 ILE CB C 13 38.68 0.20 . 1 . . . . 182 ILE CB . 18198 1 167 . 1 1 45 45 ILE N N 15 123.313 0.04 . 1 . . . . 182 ILE N . 18198 1 168 . 1 1 46 46 GLU H H 1 8.398 0.003 . 1 . . . . 183 GLU H . 18198 1 169 . 1 1 46 46 GLU CA C 13 56.763 0.20 . 1 . . . . 183 GLU CA . 18198 1 170 . 1 1 46 46 GLU CB C 13 30.077 0.20 . 1 . . . . 183 GLU CB . 18198 1 171 . 1 1 46 46 GLU N N 15 124.657 0.04 . 1 . . . . 183 GLU N . 18198 1 172 . 1 1 47 47 GLU H H 1 8.283 0.003 . 1 . . . . 184 GLU H . 18198 1 173 . 1 1 47 47 GLU CA C 13 57 0.20 . 1 . . . . 184 GLU CA . 18198 1 174 . 1 1 47 47 GLU CB C 13 30.351 0.20 . 1 . . . . 184 GLU CB . 18198 1 175 . 1 1 47 47 GLU N N 15 122.036 0.04 . 1 . . . . 184 GLU N . 18198 1 176 . 1 1 48 48 GLY H H 1 8.317 0.003 . 1 . . . . 185 GLY H . 18198 1 177 . 1 1 48 48 GLY CA C 13 45.389 0.20 . 1 . . . . 185 GLY CA . 18198 1 178 . 1 1 48 48 GLY N N 15 109.247 0.04 . 1 . . . . 185 GLY N . 18198 1 179 . 1 1 49 49 ASN H H 1 8.098 0.003 . 1 . . . . 186 ASN H . 18198 1 180 . 1 1 49 49 ASN CA C 13 53.259 0.20 . 1 . . . . 186 ASN CA . 18198 1 181 . 1 1 49 49 ASN CB C 13 38.735 0.20 . 1 . . . . 186 ASN CB . 18198 1 182 . 1 1 49 49 ASN N N 15 118.36 0.04 . 1 . . . . 186 ASN N . 18198 1 183 . 1 1 50 50 LEU H H 1 8.142 0.003 . 1 . . . . 187 LEU H . 18198 1 184 . 1 1 50 50 LEU CA C 13 55.56 0.20 . 1 . . . . 187 LEU CA . 18198 1 185 . 1 1 50 50 LEU CB C 13 42.242 0.20 . 1 . . . . 187 LEU CB . 18198 1 186 . 1 1 50 50 LEU N N 15 122.332 0.04 . 1 . . . . 187 LEU N . 18198 1 187 . 1 1 51 51 ASP H H 1 8.203 0.003 . 1 . . . . 188 ASP H . 18198 1 188 . 1 1 51 51 ASP CA C 13 54.528 0.20 . 1 . . . . 188 ASP CA . 18198 1 189 . 1 1 51 51 ASP CB C 13 40.927 0.20 . 1 . . . . 188 ASP CB . 18198 1 190 . 1 1 51 51 ASP N N 15 120.686 0.04 . 1 . . . . 188 ASP N . 18198 1 191 . 1 1 52 52 ILE H H 1 7.735 0.003 . 1 . . . . 189 ILE H . 18198 1 192 . 1 1 52 52 ILE CA C 13 61.407 0.20 . 1 . . . . 189 ILE CA . 18198 1 193 . 1 1 52 52 ILE CB C 13 38.68 0.20 . 1 . . . . 189 ILE CB . 18198 1 194 . 1 1 52 52 ILE N N 15 119.687 0.04 . 1 . . . . 189 ILE N . 18198 1 195 . 1 1 53 53 GLN H H 1 8.201 0.003 . 1 . . . . 190 GLN H . 18198 1 196 . 1 1 53 53 GLN CA C 13 55.732 0.20 . 1 . . . . 190 GLN CA . 18198 1 197 . 1 1 53 53 GLN CB C 13 29.145 0.20 . 1 . . . . 190 GLN CB . 18198 1 198 . 1 1 53 53 GLN N N 15 122.533 0.04 . 1 . . . . 190 GLN N . 18198 1 199 . 1 1 54 54 ARG H H 1 8.078 0.003 . 1 . . . . 191 ARG H . 18198 1 200 . 1 1 54 54 ARG CA C 13 54.098 0.20 . 1 . . . . 191 ARG CA . 18198 1 201 . 1 1 54 54 ARG CB C 13 30.203 0.20 . 1 . . . . 191 ARG CB . 18198 1 202 . 1 1 54 54 ARG N N 15 122.793 0.04 . 1 . . . . 191 ARG N . 18198 1 203 . 1 1 55 55 PRO CA C 13 63.105 0.20 . 1 . . . . 192 PRO CA . 18198 1 204 . 1 1 55 55 PRO CB C 13 32.104 0.20 . 1 . . . . 192 PRO CB . 18198 1 205 . 1 1 56 56 LYS H H 1 8.347 0.003 . 1 . . . . 193 LYS H . 18198 1 206 . 1 1 56 56 LYS CA C 13 56.004 0.20 . 1 . . . . 193 LYS CA . 18198 1 207 . 1 1 56 56 LYS CB C 13 32.972 0.20 . 1 . . . . 193 LYS CB . 18198 1 208 . 1 1 56 56 LYS N N 15 121.71 0.04 . 1 . . . . 193 LYS N . 18198 1 209 . 1 1 57 57 ARG H H 1 8.255 0.003 . 1 . . . . 194 ARG H . 18198 1 210 . 1 1 57 57 ARG CA C 13 55.989 0.20 . 1 . . . . 194 ARG CA . 18198 1 211 . 1 1 57 57 ARG CB C 13 30.844 0.20 . 1 . . . . 194 ARG CB . 18198 1 212 . 1 1 57 57 ARG N N 15 122.244 0.04 . 1 . . . . 194 ARG N . 18198 1 213 . 1 1 58 58 LYS H H 1 8.363 0.003 . 1 . . . . 195 LYS H . 18198 1 214 . 1 1 58 58 LYS CA C 13 56.226 0.20 . 1 . . . . 195 LYS CA . 18198 1 215 . 1 1 58 58 LYS CB C 13 33.145 0.20 . 1 . . . . 195 LYS CB . 18198 1 216 . 1 1 58 58 LYS N N 15 123.396 0.04 . 1 . . . . 195 LYS N . 18198 1 217 . 1 1 59 59 ARG H H 1 8.365 0.003 . 1 . . . . 196 ARG H . 18198 1 218 . 1 1 59 59 ARG CA C 13 56.075 0.20 . 1 . . . . 196 ARG CA . 18198 1 219 . 1 1 59 59 ARG CB C 13 30.898 0.20 . 1 . . . . 196 ARG CB . 18198 1 220 . 1 1 59 59 ARG N N 15 123.108 0.04 . 1 . . . . 196 ARG N . 18198 1 221 . 1 1 60 60 LYS H H 1 8.457 0.003 . 1 . . . . 197 LYS H . 18198 1 222 . 1 1 60 60 LYS CA C 13 56.613 0.20 . 1 . . . . 197 LYS CA . 18198 1 223 . 1 1 60 60 LYS CB C 13 33.09 0.20 . 1 . . . . 197 LYS CB . 18198 1 224 . 1 1 60 60 LYS N N 15 123.303 0.04 . 1 . . . . 197 LYS N . 18198 1 225 . 1 1 61 61 ASN CA C 13 53.152 0.20 . 1 . . . . 198 ASN CA . 18198 1 226 . 1 1 61 61 ASN CB C 13 38.79 0.20 . 1 . . . . 198 ASN CB . 18198 1 227 . 1 1 62 62 SER H H 1 8.206 0.003 . 1 . . . . 199 SER H . 18198 1 228 . 1 1 62 62 SER CA C 13 58.548 0.20 . 1 . . . . 199 SER CA . 18198 1 229 . 1 1 62 62 SER CB C 13 63.723 0.20 . 1 . . . . 199 SER CB . 18198 1 230 . 1 1 62 62 SER N N 15 116.256 0.04 . 1 . . . . 199 SER N . 18198 1 231 . 1 1 63 63 ARG H H 1 8.277 0.003 . 1 . . . . 200 ARG H . 18198 1 232 . 1 1 63 63 ARG CA C 13 56.226 0.20 . 1 . . . . 200 ARG CA . 18198 1 233 . 1 1 63 63 ARG CB C 13 30.734 0.20 . 1 . . . . 200 ARG CB . 18198 1 234 . 1 1 63 63 ARG N N 15 122.452 0.04 . 1 . . . . 200 ARG N . 18198 1 235 . 1 1 64 64 VAL H H 1 8.007 0.003 . 1 . . . . 201 VAL H . 18198 1 236 . 1 1 64 64 VAL CA C 13 62.352 0.20 . 1 . . . . 201 VAL CA . 18198 1 237 . 1 1 64 64 VAL CB C 13 32.707 0.20 . 1 . . . . 201 VAL CB . 18198 1 238 . 1 1 64 64 VAL N N 15 120.234 0.04 . 1 . . . . 201 VAL N . 18198 1 239 . 1 1 65 65 THR H H 1 7.95 0.003 . 1 . . . . 202 THR H . 18198 1 240 . 1 1 65 65 THR CA C 13 61.407 0.20 . 1 . . . . 202 THR CA . 18198 1 241 . 1 1 65 65 THR CB C 13 69.806 0.20 . 1 . . . . 202 THR CB . 18198 1 242 . 1 1 65 65 THR N N 15 116.948 0.04 . 1 . . . . 202 THR N . 18198 1 243 . 1 1 66 66 PHE H H 1 8.187 0.003 . 1 . . . . 203 PHE H . 18198 1 244 . 1 1 66 66 PHE CA C 13 57.531 0.20 . 1 . . . . 203 PHE CA . 18198 1 245 . 1 1 66 66 PHE CB C 13 39.776 0.20 . 1 . . . . 203 PHE CB . 18198 1 246 . 1 1 66 66 PHE N N 15 122.196 0.04 . 1 . . . . 203 PHE N . 18198 1 247 . 1 1 67 67 SER H H 1 8.194 0.003 . 1 . . . . 204 SER H . 18198 1 248 . 1 1 67 67 SER CA C 13 57.847 0.20 . 1 . . . . 204 SER CA . 18198 1 249 . 1 1 67 67 SER CB C 13 64.094 0.20 . 1 . . . . 204 SER CB . 18198 1 250 . 1 1 67 67 SER N N 15 117.442 0.04 . 1 . . . . 204 SER N . 18198 1 251 . 1 1 68 68 GLU H H 1 8.517 0.003 . 1 . . . . 205 GLU H . 18198 1 252 . 1 1 68 68 GLU CA C 13 57.086 0.20 . 1 . . . . 205 GLU CA . 18198 1 253 . 1 1 68 68 GLU CB C 13 29.967 0.20 . 1 . . . . 205 GLU CB . 18198 1 254 . 1 1 68 68 GLU N N 15 122.858 0.04 . 1 . . . . 205 GLU N . 18198 1 255 . 1 1 69 69 ASP H H 1 8.111 0.003 . 1 . . . . 206 ASP H . 18198 1 256 . 1 1 69 69 ASP CA C 13 54.571 0.20 . 1 . . . . 206 ASP CA . 18198 1 257 . 1 1 69 69 ASP CB C 13 41.146 0.20 . 1 . . . . 206 ASP CB . 18198 1 258 . 1 1 69 69 ASP N N 15 119.853 0.04 . 1 . . . . 206 ASP N . 18198 1 259 . 1 1 70 70 ASP H H 1 7.98 0.003 . 1 . . . . 207 ASP H . 18198 1 260 . 1 1 70 70 ASP CA C 13 54.592 0.20 . 1 . . . . 207 ASP CA . 18198 1 261 . 1 1 70 70 ASP CB C 13 41.146 0.20 . 1 . . . . 207 ASP CB . 18198 1 262 . 1 1 70 70 ASP N N 15 120.159 0.04 . 1 . . . . 207 ASP N . 18198 1 263 . 1 1 71 71 GLU H H 1 8.091 0.003 . 1 . . . . 208 GLU H . 18198 1 264 . 1 1 71 71 GLU CA C 13 56.419 0.20 . 1 . . . . 208 GLU CA . 18198 1 265 . 1 1 71 71 GLU CB C 13 30.405 0.20 . 1 . . . . 208 GLU CB . 18198 1 266 . 1 1 71 71 GLU N N 15 120.523 0.04 . 1 . . . . 208 GLU N . 18198 1 267 . 1 1 72 72 ILE H H 1 8.066 0.003 . 1 . . . . 209 ILE H . 18198 1 268 . 1 1 72 72 ILE CA C 13 60.977 0.20 . 1 . . . . 209 ILE CA . 18198 1 269 . 1 1 72 72 ILE CB C 13 38.296 0.20 . 1 . . . . 209 ILE CB . 18198 1 270 . 1 1 72 72 ILE N N 15 122.793 0.04 . 1 . . . . 209 ILE N . 18198 1 271 . 1 1 73 73 ILE H H 1 8.13 0.003 . 1 . . . . 210 ILE H . 18198 1 272 . 1 1 73 73 ILE CA C 13 60.676 0.20 . 1 . . . . 210 ILE CA . 18198 1 273 . 1 1 73 73 ILE CB C 13 38.516 0.20 . 1 . . . . 210 ILE CB . 18198 1 274 . 1 1 73 73 ILE N N 15 126.021 0.04 . 1 . . . . 210 ILE N . 18198 1 275 . 1 1 74 74 ASN H H 1 8.588 0.003 . 1 . . . . 211 ASN H . 18198 1 276 . 1 1 74 74 ASN CA C 13 50.981 0.20 . 1 . . . . 211 ASN CA . 18198 1 277 . 1 1 74 74 ASN CB C 13 38.657 0.20 . 1 . . . . 211 ASN CB . 18198 1 278 . 1 1 74 74 ASN N N 15 124.725 0.04 . 1 . . . . 211 ASN N . 18198 1 279 . 1 1 75 75 PRO CA C 13 63.922 0.20 . 1 . . . . 212 PRO CA . 18198 1 280 . 1 1 75 75 PRO CB C 13 32.049 0.20 . 1 . . . . 212 PRO CB . 18198 1 281 . 1 1 76 76 GLU H H 1 8.395 0.003 . 1 . . . . 213 GLU H . 18198 1 282 . 1 1 76 76 GLU CA C 13 56.957 0.20 . 1 . . . . 213 GLU CA . 18198 1 283 . 1 1 76 76 GLU CB C 13 29.748 0.20 . 1 . . . . 213 GLU CB . 18198 1 284 . 1 1 76 76 GLU N N 15 118.389 0.04 . 1 . . . . 213 GLU N . 18198 1 285 . 1 1 77 77 ASP H H 1 8.007 0.003 . 1 . . . . 214 ASP H . 18198 1 286 . 1 1 77 77 ASP CA C 13 54.442 0.20 . 1 . . . . 214 ASP CA . 18198 1 287 . 1 1 77 77 ASP CB C 13 41.146 0.20 . 1 . . . . 214 ASP CB . 18198 1 288 . 1 1 77 77 ASP N N 15 120.442 0.04 . 1 . . . . 214 ASP N . 18198 1 289 . 1 1 78 78 VAL H H 1 7.629 0.003 . 1 . . . . 215 VAL H . 18198 1 290 . 1 1 78 78 VAL CA C 13 61.965 0.20 . 1 . . . . 215 VAL CA . 18198 1 291 . 1 1 78 78 VAL CB C 13 32.871 0.20 . 1 . . . . 215 VAL CB . 18198 1 292 . 1 1 78 78 VAL N N 15 119.154 0.04 . 1 . . . . 215 VAL N . 18198 1 293 . 1 1 79 79 ASP H H 1 8.276 0.003 . 1 . . . . 216 ASP H . 18198 1 294 . 1 1 79 79 ASP CA C 13 51.712 0.20 . 1 . . . . 216 ASP CA . 18198 1 295 . 1 1 79 79 ASP CB C 13 41.584 0.20 . 1 . . . . 216 ASP CB . 18198 1 296 . 1 1 79 79 ASP N N 15 125.294 0.04 . 1 . . . . 216 ASP N . 18198 1 297 . 1 1 80 80 PRO CA C 13 63.833 0.20 . 1 . . . . 217 PRO CA . 18198 1 298 . 1 1 80 80 PRO CB C 13 32.049 0.20 . 1 . . . . 217 PRO CB . 18198 1 299 . 1 1 81 81 SER H H 1 8.453 0.003 . 1 . . . . 218 SER H . 18198 1 300 . 1 1 81 81 SER CA C 13 59.73 0.20 . 1 . . . . 218 SER CA . 18198 1 301 . 1 1 81 81 SER CB C 13 63.394 0.20 . 1 . . . . 218 SER CB . 18198 1 302 . 1 1 81 81 SER N N 15 115.223 0.04 . 1 . . . . 218 SER N . 18198 1 303 . 1 1 82 82 VAL H H 1 7.545 0.003 . 1 . . . . 219 VAL H . 18198 1 304 . 1 1 82 82 VAL CA C 13 62.911 0.20 . 1 . . . . 219 VAL CA . 18198 1 305 . 1 1 82 82 VAL CB C 13 32.378 0.20 . 1 . . . . 219 VAL CB . 18198 1 306 . 1 1 82 82 VAL N N 15 120.458 0.04 . 1 . . . . 219 VAL N . 18198 1 307 . 1 1 83 83 GLY H H 1 8.19 0.003 . 1 . . . . 220 GLY H . 18198 1 308 . 1 1 83 83 GLY CA C 13 45.497 0.20 . 1 . . . . 220 GLY CA . 18198 1 309 . 1 1 83 83 GLY N N 15 110.91 0.04 . 1 . . . . 220 GLY N . 18198 1 310 . 1 1 84 84 ARG H H 1 7.838 0.003 . 1 . . . . 221 ARG H . 18198 1 311 . 1 1 84 84 ARG CA C 13 56.355 0.20 . 1 . . . . 221 ARG CA . 18198 1 312 . 1 1 84 84 ARG CB C 13 30.625 0.20 . 1 . . . . 221 ARG CB . 18198 1 313 . 1 1 84 84 ARG N N 15 120.118 0.04 . 1 . . . . 221 ARG N . 18198 1 314 . 1 1 85 85 PHE H H 1 8.094 0.003 . 1 . . . . 222 PHE H . 18198 1 315 . 1 1 85 85 PHE CA C 13 57.535 0.20 . 1 . . . . 222 PHE CA . 18198 1 316 . 1 1 85 85 PHE CB C 13 39.337 0.20 . 1 . . . . 222 PHE CB . 18198 1 317 . 1 1 85 85 PHE N N 15 120.327 0.04 . 1 . . . . 222 PHE N . 18198 1 318 . 1 1 86 86 ARG H H 1 7.998 0.003 . 1 . . . . 223 ARG H . 18198 1 319 . 1 1 86 86 ARG CA C 13 56.011 0.20 . 1 . . . . 223 ARG CA . 18198 1 320 . 1 1 86 86 ARG CB C 13 30.898 0.20 . 1 . . . . 223 ARG CB . 18198 1 321 . 1 1 86 86 ARG N N 15 121.827 0.04 . 1 . . . . 223 ARG N . 18198 1 322 . 1 1 87 87 ASN H H 1 8.307 0.003 . 1 . . . . 224 ASN H . 18198 1 323 . 1 1 87 87 ASN CA C 13 53.431 0.20 . 1 . . . . 224 ASN CA . 18198 1 324 . 1 1 87 87 ASN CB C 13 38.735 0.20 . 1 . . . . 224 ASN CB . 18198 1 325 . 1 1 87 87 ASN N N 15 119.782 0.04 . 1 . . . . 224 ASN N . 18198 1 326 . 1 1 88 88 MET H H 1 7.768 0.003 . 1 . . . . 225 MET H . 18198 1 327 . 1 1 88 88 MET CA C 13 57.064 0.20 . 1 . . . . 225 MET CA . 18198 1 328 . 1 1 88 88 MET CB C 13 33.748 0.20 . 1 . . . . 225 MET CB . 18198 1 329 . 1 1 88 88 MET N N 15 125.351 0.04 . 1 . . . . 225 MET N . 18198 1 stop_ save_