data_26906 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26906 _Entry.Title ; Backbone chemical shift assignment of the C-terminal domain of Respiratory Syncytial Virus phosphoprotein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-22 _Entry.Accession_date 2016-09-22 _Entry.Last_release_date 2016-09-22 _Entry.Original_release_date 2016-09-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 Safa Lassoued . . . . 26906 2 Nelson Pereira . . . . 26906 3 Jenna Fix . . . . 26906 4 Marie Galloux . . . . 26906 5 Christina Sizun . . . . 26906 6 Jean-Francois Eleouet . . . . 26906 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26906 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . CNRS-ICSN . 26906 2 . INRA-VIM . 26906 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26906 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 26906 '15N chemical shifts' 81 26906 '1H chemical shifts' 159 26906 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 . . 2017-02-15 . original BMRB . 26906 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26902 P1-126 26906 BMRB 26903 P_delta[122-160] 26906 BMRB 26904 P1-163_tetramer 26906 BMRB 26905 P-S23C_tetramer 26906 EMBL M22644 'Genomic RNA sequence' 26906 SP P12579 'Protein sequence' 26906 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26906 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28031463 _Citation.Full_citation . _Citation.Title ; New Insights into Structural Disorder in Human Respiratory Syncytial Virus Phosphoprotein and Implications for Binding of Protein Partners ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 292 _Citation.Journal_issue 6 _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 2120 _Citation.Page_last 2131 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nelson Pereira . . . . 26906 1 2 Christophe Cardone . . . . 26906 1 3 Safa Lassoued . . . . 26906 1 4 Marie Galloux . . . . 26906 1 5 Jenna Fix . . . . 26906 1 6 Nadine Assrir . . . . 26906 1 7 Ewen Lescop . . . . 26906 1 8 Francois Bontems . . . . 26906 1 9 Jean-Francois Eleouet . . . . 26906 1 10 Christina Sizun . . . . 26906 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Human Respiratory Syncytial Virus' 26906 1 'Intrinsically Disordered Protein' 26906 1 Phosphoprotein 26906 1 'RNA Polymerase' 26906 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26906 _Assembly.ID 1 _Assembly.Name P-CTD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'not present' _Assembly.Molecular_mass 9323.1498 _Assembly.Enzyme_commission_number . _Assembly.Details . _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 P-CTD 1 $P-CTD A . yes native no no . . . 26906 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P-CTD _Entity.Sf_category entity _Entity.Sf_framecode P-CTD _Entity.Entry_ID 26906 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name P-CTD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSARDGIRDAMVGLREEMI EKIRTEALMTNDRLEAMARL RNEESEKMAKDTSDEVSLNP TSEKLNNLLEGNDSDNDLSL EDF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; P-CTD is a phosphoprotein fragment corresponding to the C-terminal domains of hRSV (residues S161-DF241). The two N-terminal residues (GS) are left over from a cleaved GST-tag. ; _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 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal domain of hRSV phosphoprotein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9323.1498 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes UniProt P12579 . P12579 . . . . . . . . . . . . . . 26906 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Nucleocapsid-binding domain of hRSV phosphoprotein' 26906 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 1 159 GLY . 26906 1 2 160 SER . 26906 1 3 161 SER . 26906 1 4 162 ALA . 26906 1 5 163 ARG . 26906 1 6 164 ASP . 26906 1 7 165 GLY . 26906 1 8 166 ILE . 26906 1 9 167 ARG . 26906 1 10 168 ASP . 26906 1 11 169 ALA . 26906 1 12 170 MET . 26906 1 13 171 VAL . 26906 1 14 172 GLY . 26906 1 15 173 LEU . 26906 1 16 174 ARG . 26906 1 17 175 GLU . 26906 1 18 176 GLU . 26906 1 19 177 MET . 26906 1 20 178 ILE . 26906 1 21 179 GLU . 26906 1 22 180 LYS . 26906 1 23 181 ILE . 26906 1 24 182 ARG . 26906 1 25 183 THR . 26906 1 26 184 GLU . 26906 1 27 185 ALA . 26906 1 28 186 LEU . 26906 1 29 187 MET . 26906 1 30 188 THR . 26906 1 31 189 ASN . 26906 1 32 190 ASP . 26906 1 33 191 ARG . 26906 1 34 192 LEU . 26906 1 35 193 GLU . 26906 1 36 194 ALA . 26906 1 37 195 MET . 26906 1 38 196 ALA . 26906 1 39 197 ARG . 26906 1 40 198 LEU . 26906 1 41 199 ARG . 26906 1 42 200 ASN . 26906 1 43 201 GLU . 26906 1 44 202 GLU . 26906 1 45 203 SER . 26906 1 46 204 GLU . 26906 1 47 205 LYS . 26906 1 48 206 MET . 26906 1 49 207 ALA . 26906 1 50 208 LYS . 26906 1 51 209 ASP . 26906 1 52 210 THR . 26906 1 53 211 SER . 26906 1 54 212 ASP . 26906 1 55 213 GLU . 26906 1 56 214 VAL . 26906 1 57 215 SER . 26906 1 58 216 LEU . 26906 1 59 217 ASN . 26906 1 60 218 PRO . 26906 1 61 219 THR . 26906 1 62 220 SER . 26906 1 63 221 GLU . 26906 1 64 222 LYS . 26906 1 65 223 LEU . 26906 1 66 224 ASN . 26906 1 67 225 ASN . 26906 1 68 226 LEU . 26906 1 69 227 LEU . 26906 1 70 228 GLU . 26906 1 71 229 GLY . 26906 1 72 230 ASN . 26906 1 73 231 ASP . 26906 1 74 232 SER . 26906 1 75 233 ASP . 26906 1 76 234 ASN . 26906 1 77 235 ASP . 26906 1 78 236 LEU . 26906 1 79 237 SER . 26906 1 80 238 LEU . 26906 1 81 239 GLU . 26906 1 82 240 ASP . 26906 1 83 241 PHE . 26906 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 26906 1 . SER 2 2 26906 1 . SER 3 3 26906 1 . ALA 4 4 26906 1 . ARG 5 5 26906 1 . ASP 6 6 26906 1 . GLY 7 7 26906 1 . ILE 8 8 26906 1 . ARG 9 9 26906 1 . ASP 10 10 26906 1 . ALA 11 11 26906 1 . MET 12 12 26906 1 . VAL 13 13 26906 1 . GLY 14 14 26906 1 . LEU 15 15 26906 1 . ARG 16 16 26906 1 . GLU 17 17 26906 1 . GLU 18 18 26906 1 . MET 19 19 26906 1 . ILE 20 20 26906 1 . GLU 21 21 26906 1 . LYS 22 22 26906 1 . ILE 23 23 26906 1 . ARG 24 24 26906 1 . THR 25 25 26906 1 . GLU 26 26 26906 1 . ALA 27 27 26906 1 . LEU 28 28 26906 1 . MET 29 29 26906 1 . THR 30 30 26906 1 . ASN 31 31 26906 1 . ASP 32 32 26906 1 . ARG 33 33 26906 1 . LEU 34 34 26906 1 . GLU 35 35 26906 1 . ALA 36 36 26906 1 . MET 37 37 26906 1 . ALA 38 38 26906 1 . ARG 39 39 26906 1 . LEU 40 40 26906 1 . ARG 41 41 26906 1 . ASN 42 42 26906 1 . GLU 43 43 26906 1 . GLU 44 44 26906 1 . SER 45 45 26906 1 . GLU 46 46 26906 1 . LYS 47 47 26906 1 . MET 48 48 26906 1 . ALA 49 49 26906 1 . LYS 50 50 26906 1 . ASP 51 51 26906 1 . THR 52 52 26906 1 . SER 53 53 26906 1 . ASP 54 54 26906 1 . GLU 55 55 26906 1 . VAL 56 56 26906 1 . SER 57 57 26906 1 . LEU 58 58 26906 1 . ASN 59 59 26906 1 . PRO 60 60 26906 1 . THR 61 61 26906 1 . SER 62 62 26906 1 . GLU 63 63 26906 1 . LYS 64 64 26906 1 . LEU 65 65 26906 1 . ASN 66 66 26906 1 . ASN 67 67 26906 1 . LEU 68 68 26906 1 . LEU 69 69 26906 1 . GLU 70 70 26906 1 . GLY 71 71 26906 1 . ASN 72 72 26906 1 . ASP 73 73 26906 1 . SER 74 74 26906 1 . ASP 75 75 26906 1 . ASN 76 76 26906 1 . ASP 77 77 26906 1 . LEU 78 78 26906 1 . SER 79 79 26906 1 . LEU 80 80 26906 1 . GLU 81 81 26906 1 . ASP 82 82 26906 1 . PHE 83 83 26906 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 26906 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $P-CTD . 11250 organism . 'Human respiratory syncytial virus' 'human RSV' . . Viruses . Orthopneumovirus HRSV Long . . . . . . . . . . . . 26906 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 26906 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $P-CTD . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3) . . . . . pGEX . . . 26906 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_P-CTD_15N13C _Sample.Sf_category sample _Sample.Sf_framecode P-CTD_15N13C _Sample.Entry_ID 26906 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 P-CTD '[U-13C; U-15N; U-2H]' . . 1 $P-CTD . . 0.15 . . mM 2e-06 . . . 26906 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20.00 . . mM 0.002 . . . 26906 1 3 'soudim chloride' 'natural abundance' . . . . . . 100.00 . . mM 0.01 . . . 26906 1 stop_ save_ ####################### # Sample conditions # ####################### save_CondSet1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet1 _Sample_condition_list.Entry_ID 26906 _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' 0.100 0.01 M 26906 1 pH 6.500 0.10 pH 26906 1 pressure 1.000 0.01 atm 26906 1 temperature 288.000 0.20 K 26906 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26906 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26906 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26906 1 'data analysis' 26906 1 'peak picking' 26906 1 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 26906 _Software.ID 2 _Software.Name Topspin _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 26906 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26906 2 processing 26906 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 26906 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26906 _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 600MHz Bruker Avance . 600 . . . 26906 1 stop_ save_ save_CRP600 _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode CRP600 _NMR_spectrometer_probe.Entry_ID 26906 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model 'TCN cryoprobe' _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 26906 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 26906 _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 $P-CTD_15N13C isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26906 1 2 '3D HNCA' no . . . . . . . . . . 1 $P-CTD_15N13C isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26906 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $P-CTD_15N13C isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26906 1 4 '3D HNHA' no . . . . . . . . . . 1 $P-CTD_15N13C isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26906 1 5 '3D HNCO' no . . . . . . . . . . 1 $P-CTD_15N13C isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26906 1 6 '3D HNCACB' no . . . . . . . . . . 1 $P-CTD_15N13C isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26906 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $P-CTD_15N13C isotropic . . 1 $CondSet1 . . . 1 $600MHz 1 $CRP600 . . . . . . . . . . . . . . 26906 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 26906 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26906 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26906 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26906 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26906 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _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 '2D 1H-15N HSQC' 1 $P-CTD_15N13C isotropic 26906 1 2 '3D HNCA' 1 $P-CTD_15N13C isotropic 26906 1 3 '3D HN(CO)CA' 1 $P-CTD_15N13C isotropic 26906 1 4 '3D HNHA' 1 $P-CTD_15N13C isotropic 26906 1 5 '3D HNCO' 1 $P-CTD_15N13C isotropic 26906 1 6 '3D HNCACB' 1 $P-CTD_15N13C isotropic 26906 1 7 '3D CBCA(CO)NH' 1 $P-CTD_15N13C isotropic 26906 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 26906 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 3 3 SER H H 1 8.65 0.02 . 1 . . 1 . 161 SER H . 26906 1 2 . 1 1 3 3 SER C C 13 174.36 0.20 . 1 . . 1 . 161 SER C . 26906 1 3 . 1 1 3 3 SER CA C 13 58.23 0.20 . 1 . . 1 . 161 SER CA . 26906 1 4 . 1 1 3 3 SER CB C 13 63.86 0.20 . 1 . . 1 . 161 SER CB . 26906 1 5 . 1 1 3 3 SER N N 15 118.39 0.15 . 1 . . 1 . 161 SER N . 26906 1 6 . 1 1 4 4 ALA H H 1 8.50 0.02 . 1 . . 1 . 162 ALA H . 26906 1 7 . 1 1 4 4 ALA C C 13 177.94 0.20 . 1 . . 1 . 162 ALA C . 26906 1 8 . 1 1 4 4 ALA CA C 13 52.81 0.20 . 1 . . 1 . 162 ALA CA . 26906 1 9 . 1 1 4 4 ALA CB C 13 19.01 0.20 . 1 . . 1 . 162 ALA CB . 26906 1 10 . 1 1 4 4 ALA N N 15 126.03 0.15 . 1 . . 1 . 162 ALA N . 26906 1 11 . 1 1 5 5 ARG H H 1 8.37 0.02 . 1 . . 1 . 163 ARG H . 26906 1 12 . 1 1 5 5 ARG HA H 1 4.32 0.02 . 1 . . 1 . 163 ARG HA . 26906 1 13 . 1 1 5 5 ARG C C 13 176.16 0.20 . 1 . . 1 . 163 ARG C . 26906 1 14 . 1 1 5 5 ARG CA C 13 56.17 0.20 . 1 . . 1 . 163 ARG CA . 26906 1 15 . 1 1 5 5 ARG CB C 13 30.39 0.20 . 1 . . 1 . 163 ARG CB . 26906 1 16 . 1 1 5 5 ARG N N 15 119.61 0.15 . 1 . . 1 . 163 ARG N . 26906 1 17 . 1 1 6 6 ASP H H 1 8.29 0.02 . 1 . . 1 . 164 ASP H . 26906 1 18 . 1 1 6 6 ASP HA H 1 4.57 0.02 . 1 . . 1 . 164 ASP HA . 26906 1 19 . 1 1 6 6 ASP C C 13 176.58 0.20 . 1 . . 1 . 164 ASP C . 26906 1 20 . 1 1 6 6 ASP CA C 13 54.55 0.20 . 1 . . 1 . 164 ASP CA . 26906 1 21 . 1 1 6 6 ASP CB C 13 41.00 0.20 . 1 . . 1 . 164 ASP CB . 26906 1 22 . 1 1 6 6 ASP N N 15 120.77 0.15 . 1 . . 1 . 164 ASP N . 26906 1 23 . 1 1 7 7 GLY H H 1 8.37 0.02 . 1 . . 1 . 165 GLY H . 26906 1 24 . 1 1 7 7 GLY HA2 H 1 3.95 0.02 . 1 . . 1 . 165 GLY HA2 . 26906 1 25 . 1 1 7 7 GLY C C 13 174.21 0.20 . 1 . . 1 . 165 GLY C . 26906 1 26 . 1 1 7 7 GLY CA C 13 45.40 0.20 . 1 . . 1 . 165 GLY CA . 26906 1 27 . 1 1 7 7 GLY N N 15 108.88 0.15 . 1 . . 1 . 165 GLY N . 26906 1 28 . 1 1 8 8 ILE H H 1 8.01 0.02 . 1 . . 1 . 166 ILE H . 26906 1 29 . 1 1 8 8 ILE HA H 1 4.14 0.02 . 1 . . 1 . 166 ILE HA . 26906 1 30 . 1 1 8 8 ILE C C 13 176.52 0.20 . 1 . . 1 . 166 ILE C . 26906 1 31 . 1 1 8 8 ILE CA C 13 61.38 0.20 . 1 . . 1 . 166 ILE CA . 26906 1 32 . 1 1 8 8 ILE CB C 13 38.23 0.20 . 1 . . 1 . 166 ILE CB . 26906 1 33 . 1 1 8 8 ILE N N 15 120.50 0.15 . 1 . . 1 . 166 ILE N . 26906 1 34 . 1 1 9 9 ARG H H 1 8.47 0.02 . 1 . . 1 . 167 ARG H . 26906 1 35 . 1 1 9 9 ARG HA H 1 4.32 0.02 . 1 . . 1 . 167 ARG HA . 26906 1 36 . 1 1 9 9 ARG C C 13 176.20 0.20 . 1 . . 1 . 167 ARG C . 26906 1 37 . 1 1 9 9 ARG CA C 13 56.34 0.20 . 1 . . 1 . 167 ARG CA . 26906 1 38 . 1 1 9 9 ARG CB C 13 30.66 0.20 . 1 . . 1 . 167 ARG CB . 26906 1 39 . 1 1 9 9 ARG N N 15 124.80 0.15 . 1 . . 1 . 167 ARG N . 26906 1 40 . 1 1 10 10 ASP H H 1 8.36 0.02 . 1 . . 1 . 168 ASP H . 26906 1 41 . 1 1 10 10 ASP HA H 1 4.53 0.02 . 1 . . 1 . 168 ASP HA . 26906 1 42 . 1 1 10 10 ASP C C 13 176.19 0.20 . 1 . . 1 . 168 ASP C . 26906 1 43 . 1 1 10 10 ASP CA C 13 54.51 0.20 . 1 . . 1 . 168 ASP CA . 26906 1 44 . 1 1 10 10 ASP CB C 13 41.08 0.20 . 1 . . 1 . 168 ASP CB . 26906 1 45 . 1 1 10 10 ASP N N 15 121.30 0.15 . 1 . . 1 . 168 ASP N . 26906 1 46 . 1 1 11 11 ALA H H 1 8.29 0.02 . 1 . . 1 . 169 ALA H . 26906 1 47 . 1 1 11 11 ALA HA H 1 4.28 0.02 . 1 . . 1 . 169 ALA HA . 26906 1 48 . 1 1 11 11 ALA C C 13 177.97 0.20 . 1 . . 1 . 169 ALA C . 26906 1 49 . 1 1 11 11 ALA CA C 13 52.92 0.20 . 1 . . 1 . 169 ALA CA . 26906 1 50 . 1 1 11 11 ALA CB C 13 19.12 0.20 . 1 . . 1 . 169 ALA CB . 26906 1 51 . 1 1 11 11 ALA N N 15 123.99 0.15 . 1 . . 1 . 169 ALA N . 26906 1 52 . 1 1 12 12 MET H H 1 8.37 0.02 . 1 . . 1 . 170 MET H . 26906 1 53 . 1 1 12 12 MET HA H 1 4.47 0.02 . 1 . . 1 . 170 MET HA . 26906 1 54 . 1 1 12 12 MET C C 13 176.56 0.20 . 1 . . 1 . 170 MET C . 26906 1 55 . 1 1 12 12 MET CA C 13 55.61 0.20 . 1 . . 1 . 170 MET CA . 26906 1 56 . 1 1 12 12 MET CB C 13 32.42 0.20 . 1 . . 1 . 170 MET CB . 26906 1 57 . 1 1 12 12 MET N N 15 118.21 0.15 . 1 . . 1 . 170 MET N . 26906 1 58 . 1 1 13 13 VAL H H 1 8.00 0.02 . 1 . . 1 . 171 VAL H . 26906 1 59 . 1 1 13 13 VAL HA H 1 4.05 0.02 . 1 . . 1 . 171 VAL HA . 26906 1 60 . 1 1 13 13 VAL C C 13 176.71 0.20 . 1 . . 1 . 171 VAL C . 26906 1 61 . 1 1 13 13 VAL CA C 13 63.10 0.20 . 1 . . 1 . 171 VAL CA . 26906 1 62 . 1 1 13 13 VAL CB C 13 32.40 0.20 . 1 . . 1 . 171 VAL CB . 26906 1 63 . 1 1 13 13 VAL N N 15 120.77 0.15 . 1 . . 1 . 171 VAL N . 26906 1 64 . 1 1 14 14 GLY H H 1 8.52 0.02 . 1 . . 1 . 172 GLY H . 26906 1 65 . 1 1 14 14 GLY HA2 H 1 3.95 0.02 . 1 . . 1 . 172 GLY HA2 . 26906 1 66 . 1 1 14 14 GLY C C 13 174.14 0.20 . 1 . . 1 . 172 GLY C . 26906 1 67 . 1 1 14 14 GLY CA C 13 45.23 0.20 . 1 . . 1 . 172 GLY CA . 26906 1 68 . 1 1 14 14 GLY N N 15 111.77 0.15 . 1 . . 1 . 172 GLY N . 26906 1 69 . 1 1 15 15 LEU H H 1 8.07 0.02 . 1 . . 1 . 173 LEU H . 26906 1 70 . 1 1 15 15 LEU HA H 1 4.34 0.02 . 1 . . 1 . 173 LEU HA . 26906 1 71 . 1 1 15 15 LEU C C 13 177.70 0.20 . 1 . . 1 . 173 LEU C . 26906 1 72 . 1 1 15 15 LEU CA C 13 55.46 0.20 . 1 . . 1 . 173 LEU CA . 26906 1 73 . 1 1 15 15 LEU CB C 13 42.39 0.20 . 1 . . 1 . 173 LEU CB . 26906 1 74 . 1 1 15 15 LEU N N 15 121.62 0.15 . 1 . . 1 . 173 LEU N . 26906 1 75 . 1 1 16 16 ARG H H 1 8.39 0.02 . 1 . . 1 . 174 ARG H . 26906 1 76 . 1 1 16 16 ARG HA H 1 4.27 0.02 . 1 . . 1 . 174 ARG HA . 26906 1 77 . 1 1 16 16 ARG C C 13 176.94 0.20 . 1 . . 1 . 174 ARG C . 26906 1 78 . 1 1 16 16 ARG CA C 13 56.76 0.20 . 1 . . 1 . 174 ARG CA . 26906 1 79 . 1 1 16 16 ARG CB C 13 30.46 0.20 . 1 . . 1 . 174 ARG CB . 26906 1 80 . 1 1 16 16 ARG N N 15 121.45 0.15 . 1 . . 1 . 174 ARG N . 26906 1 81 . 1 1 17 17 GLU H H 1 8.63 0.02 . 1 . . 1 . 175 GLU H . 26906 1 82 . 1 1 17 17 GLU HA H 1 4.16 0.02 . 1 . . 1 . 175 GLU HA . 26906 1 83 . 1 1 17 17 GLU C C 13 177.27 0.20 . 1 . . 1 . 175 GLU C . 26906 1 84 . 1 1 17 17 GLU CA C 13 57.91 0.20 . 1 . . 1 . 175 GLU CA . 26906 1 85 . 1 1 17 17 GLU CB C 13 29.83 0.20 . 1 . . 1 . 175 GLU CB . 26906 1 86 . 1 1 17 17 GLU N N 15 121.40 0.15 . 1 . . 1 . 175 GLU N . 26906 1 87 . 1 1 18 18 GLU H H 1 8.59 0.02 . 1 . . 1 . 176 GLU H . 26906 1 88 . 1 1 18 18 GLU HA H 1 4.23 0.02 . 1 . . 1 . 176 GLU HA . 26906 1 89 . 1 1 18 18 GLU C C 13 177.61 0.20 . 1 . . 1 . 176 GLU C . 26906 1 90 . 1 1 18 18 GLU CA C 13 57.57 0.20 . 1 . . 1 . 176 GLU CA . 26906 1 91 . 1 1 18 18 GLU CB C 13 29.83 0.20 . 1 . . 1 . 176 GLU CB . 26906 1 92 . 1 1 18 18 GLU N N 15 120.77 0.15 . 1 . . 1 . 176 GLU N . 26906 1 93 . 1 1 19 19 MET H H 1 8.26 0.02 . 1 . . 1 . 177 MET H . 26906 1 94 . 1 1 19 19 MET HA H 1 4.42 0.02 . 1 . . 1 . 177 MET HA . 26906 1 95 . 1 1 19 19 MET C C 13 176.81 0.20 . 1 . . 1 . 177 MET C . 26906 1 96 . 1 1 19 19 MET CA C 13 56.26 0.20 . 1 . . 1 . 177 MET CA . 26906 1 97 . 1 1 19 19 MET CB C 13 32.15 0.20 . 1 . . 1 . 177 MET CB . 26906 1 98 . 1 1 19 19 MET N N 15 120.56 0.15 . 1 . . 1 . 177 MET N . 26906 1 99 . 1 1 20 20 ILE H H 1 8.06 0.02 . 1 . . 1 . 178 ILE H . 26906 1 100 . 1 1 20 20 ILE HA H 1 3.98 0.02 . 1 . . 1 . 178 ILE HA . 26906 1 101 . 1 1 20 20 ILE C C 13 176.97 0.20 . 1 . . 1 . 178 ILE C . 26906 1 102 . 1 1 20 20 ILE CA C 13 62.56 0.20 . 1 . . 1 . 178 ILE CA . 26906 1 103 . 1 1 20 20 ILE CB C 13 38.29 0.20 . 1 . . 1 . 178 ILE CB . 26906 1 104 . 1 1 20 20 ILE N N 15 121.42 0.15 . 1 . . 1 . 178 ILE N . 26906 1 105 . 1 1 21 21 GLU H H 1 8.33 0.02 . 1 . . 1 . 179 GLU H . 26906 1 106 . 1 1 21 21 GLU HA H 1 4.28 0.02 . 1 . . 1 . 179 GLU HA . 26906 1 107 . 1 1 21 21 GLU C C 13 177.09 0.20 . 1 . . 1 . 179 GLU C . 26906 1 108 . 1 1 21 21 GLU CA C 13 57.37 0.20 . 1 . . 1 . 179 GLU CA . 26906 1 109 . 1 1 21 21 GLU CB C 13 29.80 0.20 . 1 . . 1 . 179 GLU CB . 26906 1 110 . 1 1 21 21 GLU N N 15 122.92 0.15 . 1 . . 1 . 179 GLU N . 26906 1 111 . 1 1 22 22 LYS H H 1 8.18 0.02 . 1 . . 1 . 180 LYS H . 26906 1 112 . 1 1 22 22 LYS HA H 1 4.22 0.02 . 1 . . 1 . 180 LYS HA . 26906 1 113 . 1 1 22 22 LYS C C 13 177.36 0.20 . 1 . . 1 . 180 LYS C . 26906 1 114 . 1 1 22 22 LYS CA C 13 57.56 0.20 . 1 . . 1 . 180 LYS CA . 26906 1 115 . 1 1 22 22 LYS CB C 13 32.70 0.20 . 1 . . 1 . 180 LYS CB . 26906 1 116 . 1 1 22 22 LYS N N 15 122.12 0.15 . 1 . . 1 . 180 LYS N . 26906 1 117 . 1 1 23 23 ILE H H 1 8.10 0.02 . 1 . . 1 . 181 ILE H . 26906 1 118 . 1 1 23 23 ILE HA H 1 4.24 0.02 . 1 . . 1 . 181 ILE HA . 26906 1 119 . 1 1 23 23 ILE C C 13 177.21 0.20 . 1 . . 1 . 181 ILE C . 26906 1 120 . 1 1 23 23 ILE CA C 13 62.48 0.20 . 1 . . 1 . 181 ILE CA . 26906 1 121 . 1 1 23 23 ILE CB C 13 38.28 0.20 . 1 . . 1 . 181 ILE CB . 26906 1 122 . 1 1 23 23 ILE N N 15 120.94 0.15 . 1 . . 1 . 181 ILE N . 26906 1 123 . 1 1 24 24 ARG H H 1 8.36 0.02 . 1 . . 1 . 182 ARG H . 26906 1 124 . 1 1 24 24 ARG HA H 1 4.33 0.02 . 1 . . 1 . 182 ARG HA . 26906 1 125 . 1 1 24 24 ARG C C 13 177.36 0.20 . 1 . . 1 . 182 ARG C . 26906 1 126 . 1 1 24 24 ARG CA C 13 57.29 0.20 . 1 . . 1 . 182 ARG CA . 26906 1 127 . 1 1 24 24 ARG CB C 13 30.61 0.20 . 1 . . 1 . 182 ARG CB . 26906 1 128 . 1 1 24 24 ARG N N 15 123.74 0.15 . 1 . . 1 . 182 ARG N . 26906 1 129 . 1 1 25 25 THR H H 1 8.31 0.02 . 1 . . 1 . 183 THR H . 26906 1 130 . 1 1 25 25 THR HA H 1 4.19 0.02 . 1 . . 1 . 183 THR HA . 26906 1 131 . 1 1 25 25 THR C C 13 175.40 0.20 . 1 . . 1 . 183 THR C . 26906 1 132 . 1 1 25 25 THR CA C 13 63.42 0.20 . 1 . . 1 . 183 THR CA . 26906 1 133 . 1 1 25 25 THR CB C 13 69.41 0.20 . 1 . . 1 . 183 THR CB . 26906 1 134 . 1 1 25 25 THR N N 15 115.06 0.15 . 1 . . 1 . 183 THR N . 26906 1 135 . 1 1 26 26 GLU H H 1 8.46 0.02 . 1 . . 1 . 184 GLU H . 26906 1 136 . 1 1 26 26 GLU HA H 1 4.22 0.02 . 1 . . 1 . 184 GLU HA . 26906 1 137 . 1 1 26 26 GLU C C 13 176.98 0.20 . 1 . . 1 . 184 GLU C . 26906 1 138 . 1 1 26 26 GLU CA C 13 57.57 0.20 . 1 . . 1 . 184 GLU CA . 26906 1 139 . 1 1 26 26 GLU CB C 13 29.80 0.20 . 1 . . 1 . 184 GLU CB . 26906 1 140 . 1 1 26 26 GLU N N 15 122.70 0.15 . 1 . . 1 . 184 GLU N . 26906 1 141 . 1 1 27 27 ALA H H 1 8.20 0.02 . 1 . . 1 . 185 ALA H . 26906 1 142 . 1 1 27 27 ALA HA H 1 4.23 0.02 . 1 . . 1 . 185 ALA HA . 26906 1 143 . 1 1 27 27 ALA C C 13 178.15 0.20 . 1 . . 1 . 185 ALA C . 26906 1 144 . 1 1 27 27 ALA CA C 13 53.09 0.20 . 1 . . 1 . 185 ALA CA . 26906 1 145 . 1 1 27 27 ALA CB C 13 18.81 0.20 . 1 . . 1 . 185 ALA CB . 26906 1 146 . 1 1 27 27 ALA N N 15 123.49 0.15 . 1 . . 1 . 185 ALA N . 26906 1 147 . 1 1 28 28 LEU H H 1 8.00 0.02 . 1 . . 1 . 186 LEU H . 26906 1 148 . 1 1 28 28 LEU HA H 1 4.28 0.02 . 1 . . 1 . 186 LEU HA . 26906 1 149 . 1 1 28 28 LEU C C 13 177.76 0.20 . 1 . . 1 . 186 LEU C . 26906 1 150 . 1 1 28 28 LEU CA C 13 55.62 0.20 . 1 . . 1 . 186 LEU CA . 26906 1 151 . 1 1 28 28 LEU CB C 13 42.14 0.20 . 1 . . 1 . 186 LEU CB . 26906 1 152 . 1 1 28 28 LEU N N 15 120.00 0.15 . 1 . . 1 . 186 LEU N . 26906 1 153 . 1 1 29 29 MET H H 1 8.29 0.02 . 1 . . 1 . 187 MET H . 26906 1 154 . 1 1 29 29 MET HA H 1 4.55 0.02 . 1 . . 1 . 187 MET HA . 26906 1 155 . 1 1 29 29 MET C C 13 176.73 0.20 . 1 . . 1 . 187 MET C . 26906 1 156 . 1 1 29 29 MET CA C 13 55.71 0.20 . 1 . . 1 . 187 MET CA . 26906 1 157 . 1 1 29 29 MET CB C 13 32.60 0.20 . 1 . . 1 . 187 MET CB . 26906 1 158 . 1 1 29 29 MET N N 15 120.35 0.15 . 1 . . 1 . 187 MET N . 26906 1 159 . 1 1 30 30 THR H H 1 8.07 0.02 . 1 . . 1 . 188 THR H . 26906 1 160 . 1 1 30 30 THR HA H 1 4.30 0.02 . 1 . . 1 . 188 THR HA . 26906 1 161 . 1 1 30 30 THR C C 13 174.77 0.20 . 1 . . 1 . 188 THR C . 26906 1 162 . 1 1 30 30 THR CA C 13 62.45 0.20 . 1 . . 1 . 188 THR CA . 26906 1 163 . 1 1 30 30 THR CB C 13 69.52 0.20 . 1 . . 1 . 188 THR CB . 26906 1 164 . 1 1 30 30 THR N N 15 114.73 0.15 . 1 . . 1 . 188 THR N . 26906 1 165 . 1 1 31 31 ASN H H 1 8.62 0.02 . 1 . . 1 . 189 ASN H . 26906 1 166 . 1 1 31 31 ASN C C 13 175.90 0.20 . 1 . . 1 . 189 ASN C . 26906 1 167 . 1 1 31 31 ASN CA C 13 54.72 0.20 . 1 . . 1 . 189 ASN CA . 26906 1 168 . 1 1 31 31 ASN CB C 13 38.34 0.20 . 1 . . 1 . 189 ASN CB . 26906 1 169 . 1 1 31 31 ASN N N 15 120.39 0.15 . 1 . . 1 . 189 ASN N . 26906 1 170 . 1 1 32 32 ASP H H 1 8.46 0.02 . 1 . . 1 . 190 ASP H . 26906 1 171 . 1 1 32 32 ASP HA H 1 4.47 0.02 . 1 . . 1 . 190 ASP HA . 26906 1 172 . 1 1 32 32 ASP C C 13 177.52 0.20 . 1 . . 1 . 190 ASP C . 26906 1 173 . 1 1 32 32 ASP CA C 13 55.76 0.20 . 1 . . 1 . 190 ASP CA . 26906 1 174 . 1 1 32 32 ASP CB C 13 40.54 0.20 . 1 . . 1 . 190 ASP CB . 26906 1 175 . 1 1 32 32 ASP N N 15 119.92 0.15 . 1 . . 1 . 190 ASP N . 26906 1 176 . 1 1 33 33 ARG H H 1 8.10 0.02 . 1 . . 1 . 191 ARG H . 26906 1 177 . 1 1 33 33 ARG HA H 1 4.24 0.02 . 1 . . 1 . 191 ARG HA . 26906 1 178 . 1 1 33 33 ARG C C 13 177.74 0.20 . 1 . . 1 . 191 ARG C . 26906 1 179 . 1 1 33 33 ARG CA C 13 57.80 0.20 . 1 . . 1 . 191 ARG CA . 26906 1 180 . 1 1 33 33 ARG CB C 13 30.12 0.20 . 1 . . 1 . 191 ARG CB . 26906 1 181 . 1 1 33 33 ARG N N 15 121.12 0.15 . 1 . . 1 . 191 ARG N . 26906 1 182 . 1 1 34 34 LEU H H 1 8.19 0.02 . 1 . . 1 . 192 LEU H . 26906 1 183 . 1 1 34 34 LEU HA H 1 4.20 0.02 . 1 . . 1 . 192 LEU HA . 26906 1 184 . 1 1 34 34 LEU C C 13 179.48 0.20 . 1 . . 1 . 192 LEU C . 26906 1 185 . 1 1 34 34 LEU CA C 13 57.13 0.20 . 1 . . 1 . 192 LEU CA . 26906 1 186 . 1 1 34 34 LEU CB C 13 41.58 0.20 . 1 . . 1 . 192 LEU CB . 26906 1 187 . 1 1 34 34 LEU N N 15 121.14 0.15 . 1 . . 1 . 192 LEU N . 26906 1 188 . 1 1 35 35 GLU H H 1 8.42 0.02 . 1 . . 1 . 193 GLU H . 26906 1 189 . 1 1 35 35 GLU HA H 1 4.14 0.02 . 1 . . 1 . 193 GLU HA . 26906 1 190 . 1 1 35 35 GLU C C 13 178.06 0.20 . 1 . . 1 . 193 GLU C . 26906 1 191 . 1 1 35 35 GLU CA C 13 58.30 0.20 . 1 . . 1 . 193 GLU CA . 26906 1 192 . 1 1 35 35 GLU CB C 13 29.38 0.20 . 1 . . 1 . 193 GLU CB . 26906 1 193 . 1 1 35 35 GLU N N 15 120.71 0.15 . 1 . . 1 . 193 GLU N . 26906 1 194 . 1 1 36 36 ALA H H 1 8.10 0.02 . 1 . . 1 . 194 ALA H . 26906 1 195 . 1 1 36 36 ALA HA H 1 4.15 0.02 . 1 . . 1 . 194 ALA HA . 26906 1 196 . 1 1 36 36 ALA C C 13 179.71 0.20 . 1 . . 1 . 194 ALA C . 26906 1 197 . 1 1 36 36 ALA CA C 13 54.30 0.20 . 1 . . 1 . 194 ALA CA . 26906 1 198 . 1 1 36 36 ALA CB C 13 18.48 0.20 . 1 . . 1 . 194 ALA CB . 26906 1 199 . 1 1 36 36 ALA N N 15 122.66 0.15 . 1 . . 1 . 194 ALA N . 26906 1 200 . 1 1 37 37 MET H H 1 8.16 0.02 . 1 . . 1 . 195 MET H . 26906 1 201 . 1 1 37 37 MET HA H 1 4.29 0.02 . 1 . . 1 . 195 MET HA . 26906 1 202 . 1 1 37 37 MET C C 13 177.63 0.20 . 1 . . 1 . 195 MET C . 26906 1 203 . 1 1 37 37 MET CA C 13 57.23 0.20 . 1 . . 1 . 195 MET CA . 26906 1 204 . 1 1 37 37 MET CB C 13 32.73 0.20 . 1 . . 1 . 195 MET CB . 26906 1 205 . 1 1 37 37 MET N N 15 117.46 0.15 . 1 . . 1 . 195 MET N . 26906 1 206 . 1 1 38 38 ALA H H 1 8.02 0.02 . 1 . . 1 . 196 ALA H . 26906 1 207 . 1 1 38 38 ALA HA H 1 4.18 0.02 . 1 . . 1 . 196 ALA HA . 26906 1 208 . 1 1 38 38 ALA C C 13 178.95 0.20 . 1 . . 1 . 196 ALA C . 26906 1 209 . 1 1 38 38 ALA CA C 13 53.97 0.20 . 1 . . 1 . 196 ALA CA . 26906 1 210 . 1 1 38 38 ALA CB C 13 18.46 0.20 . 1 . . 1 . 196 ALA CB . 26906 1 211 . 1 1 38 38 ALA N N 15 123.10 0.15 . 1 . . 1 . 196 ALA N . 26906 1 212 . 1 1 39 39 ARG H H 1 8.00 0.02 . 1 . . 1 . 197 ARG H . 26906 1 213 . 1 1 39 39 ARG HA H 1 4.21 0.02 . 1 . . 1 . 197 ARG HA . 26906 1 214 . 1 1 39 39 ARG C C 13 177.54 0.20 . 1 . . 1 . 197 ARG C . 26906 1 215 . 1 1 39 39 ARG CA C 13 57.70 0.20 . 1 . . 1 . 197 ARG CA . 26906 1 216 . 1 1 39 39 ARG CB C 13 30.34 0.20 . 1 . . 1 . 197 ARG CB . 26906 1 217 . 1 1 39 39 ARG N N 15 118.41 0.15 . 1 . . 1 . 197 ARG N . 26906 1 218 . 1 1 40 40 LEU H H 1 7.92 0.02 . 1 . . 1 . 198 LEU H . 26906 1 219 . 1 1 40 40 LEU HA H 1 4.27 0.02 . 1 . . 1 . 198 LEU HA . 26906 1 220 . 1 1 40 40 LEU C C 13 178.13 0.20 . 1 . . 1 . 198 LEU C . 26906 1 221 . 1 1 40 40 LEU CA C 13 56.25 0.20 . 1 . . 1 . 198 LEU CA . 26906 1 222 . 1 1 40 40 LEU CB C 13 41.83 0.20 . 1 . . 1 . 198 LEU CB . 26906 1 223 . 1 1 40 40 LEU N N 15 120.92 0.15 . 1 . . 1 . 198 LEU N . 26906 1 224 . 1 1 41 41 ARG H H 1 8.12 0.02 . 1 . . 1 . 199 ARG H . 26906 1 225 . 1 1 41 41 ARG HA H 1 4.25 0.02 . 1 . . 1 . 199 ARG HA . 26906 1 226 . 1 1 41 41 ARG C C 13 177.06 0.20 . 1 . . 1 . 199 ARG C . 26906 1 227 . 1 1 41 41 ARG CA C 13 57.07 0.20 . 1 . . 1 . 199 ARG CA . 26906 1 228 . 1 1 41 41 ARG CB C 13 30.48 0.20 . 1 . . 1 . 199 ARG CB . 26906 1 229 . 1 1 41 41 ARG N N 15 119.91 0.15 . 1 . . 1 . 199 ARG N . 26906 1 230 . 1 1 42 42 ASN H H 1 8.35 0.02 . 1 . . 1 . 200 ASN H . 26906 1 231 . 1 1 42 42 ASN HA H 1 4.64 0.02 . 1 . . 1 . 200 ASN HA . 26906 1 232 . 1 1 42 42 ASN C C 13 175.91 0.20 . 1 . . 1 . 200 ASN C . 26906 1 233 . 1 1 42 42 ASN CA C 13 54.09 0.20 . 1 . . 1 . 200 ASN CA . 26906 1 234 . 1 1 42 42 ASN CB C 13 38.65 0.20 . 1 . . 1 . 200 ASN CB . 26906 1 235 . 1 1 42 42 ASN N N 15 119.28 0.15 . 1 . . 1 . 200 ASN N . 26906 1 236 . 1 1 43 43 GLU H H 1 8.48 0.02 . 1 . . 1 . 201 GLU H . 26906 1 237 . 1 1 43 43 GLU HA H 1 4.21 0.02 . 1 . . 1 . 201 GLU HA . 26906 1 238 . 1 1 43 43 GLU C C 13 177.51 0.20 . 1 . . 1 . 201 GLU C . 26906 1 239 . 1 1 43 43 GLU CA C 13 57.74 0.20 . 1 . . 1 . 201 GLU CA . 26906 1 240 . 1 1 43 43 GLU CB C 13 29.83 0.20 . 1 . . 1 . 201 GLU CB . 26906 1 241 . 1 1 43 43 GLU N N 15 120.99 0.15 . 1 . . 1 . 201 GLU N . 26906 1 242 . 1 1 44 44 GLU H H 1 8.38 0.02 . 1 . . 1 . 202 GLU H . 26906 1 243 . 1 1 44 44 GLU HA H 1 4.23 0.02 . 1 . . 1 . 202 GLU HA . 26906 1 244 . 1 1 44 44 GLU C C 13 177.50 0.20 . 1 . . 1 . 202 GLU C . 26906 1 245 . 1 1 44 44 GLU CA C 13 57.53 0.20 . 1 . . 1 . 202 GLU CA . 26906 1 246 . 1 1 44 44 GLU CB C 13 29.79 0.20 . 1 . . 1 . 202 GLU CB . 26906 1 247 . 1 1 44 44 GLU N N 15 120.43 0.15 . 1 . . 1 . 202 GLU N . 26906 1 248 . 1 1 45 45 SER H H 1 8.25 0.02 . 1 . . 1 . 203 SER H . 26906 1 249 . 1 1 45 45 SER HA H 1 4.35 0.02 . 1 . . 1 . 203 SER HA . 26906 1 250 . 1 1 45 45 SER C C 13 175.42 0.20 . 1 . . 1 . 203 SER C . 26906 1 251 . 1 1 45 45 SER CA C 13 59.65 0.20 . 1 . . 1 . 203 SER CA . 26906 1 252 . 1 1 45 45 SER CB C 13 63.36 0.20 . 1 . . 1 . 203 SER CB . 26906 1 253 . 1 1 45 45 SER N N 15 115.88 0.15 . 1 . . 1 . 203 SER N . 26906 1 254 . 1 1 46 46 GLU H H 1 8.33 0.02 . 1 . . 1 . 204 GLU H . 26906 1 255 . 1 1 46 46 GLU HA H 1 4.25 0.02 . 1 . . 1 . 204 GLU HA . 26906 1 256 . 1 1 46 46 GLU C C 13 177.01 0.20 . 1 . . 1 . 204 GLU C . 26906 1 257 . 1 1 46 46 GLU CA C 13 57.37 0.20 . 1 . . 1 . 204 GLU CA . 26906 1 258 . 1 1 46 46 GLU CB C 13 29.94 0.20 . 1 . . 1 . 204 GLU CB . 26906 1 259 . 1 1 46 46 GLU N N 15 122.12 0.15 . 1 . . 1 . 204 GLU N . 26906 1 260 . 1 1 47 47 LYS H H 1 8.11 0.02 . 1 . . 1 . 205 LYS H . 26906 1 261 . 1 1 47 47 LYS HA H 1 4.00 0.02 . 1 . . 1 . 205 LYS HA . 26906 1 262 . 1 1 47 47 LYS C C 13 176.93 0.20 . 1 . . 1 . 205 LYS C . 26906 1 263 . 1 1 47 47 LYS CA C 13 56.91 0.20 . 1 . . 1 . 205 LYS CA . 26906 1 264 . 1 1 47 47 LYS CB C 13 32.76 0.20 . 1 . . 1 . 205 LYS CB . 26906 1 265 . 1 1 47 47 LYS N N 15 120.91 0.15 . 1 . . 1 . 205 LYS N . 26906 1 266 . 1 1 48 48 MET H H 1 8.20 0.02 . 1 . . 1 . 206 MET H . 26906 1 267 . 1 1 48 48 MET HA H 1 4.41 0.02 . 1 . . 1 . 206 MET HA . 26906 1 268 . 1 1 48 48 MET C C 13 176.17 0.20 . 1 . . 1 . 206 MET C . 26906 1 269 . 1 1 48 48 MET CA C 13 55.59 0.20 . 1 . . 1 . 206 MET CA . 26906 1 270 . 1 1 48 48 MET CB C 13 32.76 0.20 . 1 . . 1 . 206 MET CB . 26906 1 271 . 1 1 48 48 MET N N 15 120.16 0.15 . 1 . . 1 . 206 MET N . 26906 1 272 . 1 1 49 49 ALA H H 1 8.24 0.02 . 1 . . 1 . 207 ALA H . 26906 1 273 . 1 1 49 49 ALA HA H 1 4.31 0.02 . 1 . . 1 . 207 ALA HA . 26906 1 274 . 1 1 49 49 ALA C C 13 177.67 0.20 . 1 . . 1 . 207 ALA C . 26906 1 275 . 1 1 49 49 ALA CA C 13 52.55 0.20 . 1 . . 1 . 207 ALA CA . 26906 1 276 . 1 1 49 49 ALA CB C 13 19.06 0.20 . 1 . . 1 . 207 ALA CB . 26906 1 277 . 1 1 49 49 ALA N N 15 124.78 0.15 . 1 . . 1 . 207 ALA N . 26906 1 278 . 1 1 50 50 LYS H H 1 8.26 0.02 . 1 . . 1 . 208 LYS H . 26906 1 279 . 1 1 50 50 LYS HA H 1 4.34 0.02 . 1 . . 1 . 208 LYS HA . 26906 1 280 . 1 1 50 50 LYS C C 13 176.27 0.20 . 1 . . 1 . 208 LYS C . 26906 1 281 . 1 1 50 50 LYS CA C 13 56.16 0.20 . 1 . . 1 . 208 LYS CA . 26906 1 282 . 1 1 50 50 LYS CB C 13 33.03 0.20 . 1 . . 1 . 208 LYS CB . 26906 1 283 . 1 1 50 50 LYS N N 15 120.41 0.15 . 1 . . 1 . 208 LYS N . 26906 1 284 . 1 1 51 51 ASP H H 1 8.48 0.02 . 1 . . 1 . 209 ASP H . 26906 1 285 . 1 1 51 51 ASP HA H 1 4.68 0.02 . 1 . . 1 . 209 ASP HA . 26906 1 286 . 1 1 51 51 ASP C C 13 176.54 0.20 . 1 . . 1 . 209 ASP C . 26906 1 287 . 1 1 51 51 ASP CA C 13 54.33 0.20 . 1 . . 1 . 209 ASP CA . 26906 1 288 . 1 1 51 51 ASP CB C 13 41.13 0.20 . 1 . . 1 . 209 ASP CB . 26906 1 289 . 1 1 51 51 ASP N N 15 121.67 0.15 . 1 . . 1 . 209 ASP N . 26906 1 290 . 1 1 52 52 THR H H 1 8.19 0.02 . 1 . . 1 . 210 THR H . 26906 1 291 . 1 1 52 52 THR HA H 1 4.40 0.02 . 1 . . 1 . 210 THR HA . 26906 1 292 . 1 1 52 52 THR C C 13 174.74 0.20 . 1 . . 1 . 210 THR C . 26906 1 293 . 1 1 52 52 THR CA C 13 61.61 0.20 . 1 . . 1 . 210 THR CA . 26906 1 294 . 1 1 52 52 THR CB C 13 69.51 0.20 . 1 . . 1 . 210 THR CB . 26906 1 295 . 1 1 52 52 THR N N 15 114.21 0.15 . 1 . . 1 . 210 THR N . 26906 1 296 . 1 1 53 53 SER H H 1 8.45 0.02 . 1 . . 1 . 211 SER H . 26906 1 297 . 1 1 53 53 SER HA H 1 4.44 0.02 . 1 . . 1 . 211 SER HA . 26906 1 298 . 1 1 53 53 SER C C 13 174.33 0.20 . 1 . . 1 . 211 SER C . 26906 1 299 . 1 1 53 53 SER CA C 13 58.77 0.20 . 1 . . 1 . 211 SER CA . 26906 1 300 . 1 1 53 53 SER CB C 13 63.69 0.20 . 1 . . 1 . 211 SER CB . 26906 1 301 . 1 1 53 53 SER N N 15 118.06 0.15 . 1 . . 1 . 211 SER N . 26906 1 302 . 1 1 54 54 ASP H H 1 8.45 0.02 . 1 . . 1 . 212 ASP H . 26906 1 303 . 1 1 54 54 ASP HA H 1 4.63 0.02 . 1 . . 1 . 212 ASP HA . 26906 1 304 . 1 1 54 54 ASP C C 13 176.14 0.20 . 1 . . 1 . 212 ASP C . 26906 1 305 . 1 1 54 54 ASP CA C 13 54.37 0.20 . 1 . . 1 . 212 ASP CA . 26906 1 306 . 1 1 54 54 ASP CB C 13 41.00 0.20 . 1 . . 1 . 212 ASP CB . 26906 1 307 . 1 1 54 54 ASP N N 15 122.21 0.15 . 1 . . 1 . 212 ASP N . 26906 1 308 . 1 1 55 55 GLU H H 1 8.31 0.02 . 1 . . 1 . 213 GLU H . 26906 1 309 . 1 1 55 55 GLU HA H 1 4.28 0.02 . 1 . . 1 . 213 GLU HA . 26906 1 310 . 1 1 55 55 GLU C C 13 176.57 0.20 . 1 . . 1 . 213 GLU C . 26906 1 311 . 1 1 55 55 GLU CA C 13 56.67 0.20 . 1 . . 1 . 213 GLU CA . 26906 1 312 . 1 1 55 55 GLU CB C 13 30.24 0.20 . 1 . . 1 . 213 GLU CB . 26906 1 313 . 1 1 55 55 GLU N N 15 120.92 0.15 . 1 . . 1 . 213 GLU N . 26906 1 314 . 1 1 56 56 VAL H H 1 8.21 0.02 . 1 . . 1 . 214 VAL H . 26906 1 315 . 1 1 56 56 VAL HA H 1 4.10 0.02 . 1 . . 1 . 214 VAL HA . 26906 1 316 . 1 1 56 56 VAL C C 13 176.19 0.20 . 1 . . 1 . 214 VAL C . 26906 1 317 . 1 1 56 56 VAL CA C 13 62.44 0.20 . 1 . . 1 . 214 VAL CA . 26906 1 318 . 1 1 56 56 VAL CB C 13 32.52 0.20 . 1 . . 1 . 214 VAL CB . 26906 1 319 . 1 1 56 56 VAL N N 15 121.21 0.15 . 1 . . 1 . 214 VAL N . 26906 1 320 . 1 1 57 57 SER H H 1 8.42 0.02 . 1 . . 1 . 215 SER H . 26906 1 321 . 1 1 57 57 SER HA H 1 4.44 0.02 . 1 . . 1 . 215 SER HA . 26906 1 322 . 1 1 57 57 SER C C 13 174.31 0.20 . 1 . . 1 . 215 SER C . 26906 1 323 . 1 1 57 57 SER CA C 13 58.12 0.20 . 1 . . 1 . 215 SER CA . 26906 1 324 . 1 1 57 57 SER CB C 13 63.58 0.20 . 1 . . 1 . 215 SER CB . 26906 1 325 . 1 1 57 57 SER N N 15 119.30 0.15 . 1 . . 1 . 215 SER N . 26906 1 326 . 1 1 58 58 LEU H H 1 8.36 0.02 . 1 . . 1 . 216 LEU H . 26906 1 327 . 1 1 58 58 LEU HA H 1 4.36 0.02 . 1 . . 1 . 216 LEU HA . 26906 1 328 . 1 1 58 58 LEU C C 13 176.70 0.20 . 1 . . 1 . 216 LEU C . 26906 1 329 . 1 1 58 58 LEU CA C 13 54.90 0.20 . 1 . . 1 . 216 LEU CA . 26906 1 330 . 1 1 58 58 LEU CB C 13 42.38 0.20 . 1 . . 1 . 216 LEU CB . 26906 1 331 . 1 1 58 58 LEU N N 15 124.24 0.15 . 1 . . 1 . 216 LEU N . 26906 1 332 . 1 1 59 59 ASN H H 1 8.45 0.02 . 1 . . 1 . 217 ASN H . 26906 1 333 . 1 1 59 59 ASN HA H 1 4.98 0.02 . 1 . . 1 . 217 ASN HA . 26906 1 334 . 1 1 59 59 ASN CA C 13 51.17 0.20 . 1 . . 1 . 217 ASN CA . 26906 1 335 . 1 1 59 59 ASN CB C 13 38.72 0.20 . 1 . . 1 . 217 ASN CB . 26906 1 336 . 1 1 59 59 ASN N N 15 119.96 0.15 . 1 . . 1 . 217 ASN N . 26906 1 337 . 1 1 60 60 PRO C C 13 177.23 0.20 . 1 . . 1 . 218 PRO C . 26906 1 338 . 1 1 60 60 PRO CA C 13 63.37 0.20 . 1 . . 1 . 218 PRO CA . 26906 1 339 . 1 1 60 60 PRO CB C 13 32.00 0.20 . 1 . . 1 . 218 PRO CB . 26906 1 340 . 1 1 61 61 THR H H 1 8.32 0.02 . 1 . . 1 . 219 THR H . 26906 1 341 . 1 1 61 61 THR HA H 1 4.37 0.02 . 1 . . 1 . 219 THR HA . 26906 1 342 . 1 1 61 61 THR C C 13 174.63 0.20 . 1 . . 1 . 219 THR C . 26906 1 343 . 1 1 61 61 THR CA C 13 61.88 0.20 . 1 . . 1 . 219 THR CA . 26906 1 344 . 1 1 61 61 THR CB C 13 69.60 0.20 . 1 . . 1 . 219 THR CB . 26906 1 345 . 1 1 61 61 THR N N 15 113.75 0.15 . 1 . . 1 . 219 THR N . 26906 1 346 . 1 1 62 62 SER H H 1 8.31 0.02 . 1 . . 1 . 220 SER H . 26906 1 347 . 1 1 62 62 SER HA H 1 4.42 0.02 . 1 . . 1 . 220 SER HA . 26906 1 348 . 1 1 62 62 SER C C 13 174.52 0.20 . 1 . . 1 . 220 SER C . 26906 1 349 . 1 1 62 62 SER CA C 13 58.46 0.20 . 1 . . 1 . 220 SER CA . 26906 1 350 . 1 1 62 62 SER CB C 13 63.55 0.20 . 1 . . 1 . 220 SER CB . 26906 1 351 . 1 1 62 62 SER N N 15 117.68 0.15 . 1 . . 1 . 220 SER N . 26906 1 352 . 1 1 63 63 GLU H H 1 8.51 0.02 . 1 . . 1 . 221 GLU H . 26906 1 353 . 1 1 63 63 GLU HA H 1 4.27 0.02 . 1 . . 1 . 221 GLU HA . 26906 1 354 . 1 1 63 63 GLU C C 13 176.33 0.20 . 1 . . 1 . 221 GLU C . 26906 1 355 . 1 1 63 63 GLU CA C 13 56.73 0.20 . 1 . . 1 . 221 GLU CA . 26906 1 356 . 1 1 63 63 GLU CB C 13 30.05 0.20 . 1 . . 1 . 221 GLU CB . 26906 1 357 . 1 1 63 63 GLU N N 15 123.07 0.15 . 1 . . 1 . 221 GLU N . 26906 1 358 . 1 1 64 64 LYS H H 1 8.34 0.02 . 1 . . 1 . 222 LYS H . 26906 1 359 . 1 1 64 64 LYS HA H 1 4.27 0.02 . 1 . . 1 . 222 LYS HA . 26906 1 360 . 1 1 64 64 LYS C C 13 176.47 0.20 . 1 . . 1 . 222 LYS C . 26906 1 361 . 1 1 64 64 LYS CA C 13 56.28 0.20 . 1 . . 1 . 222 LYS CA . 26906 1 362 . 1 1 64 64 LYS CB C 13 32.69 0.20 . 1 . . 1 . 222 LYS CB . 26906 1 363 . 1 1 64 64 LYS N N 15 122.11 0.15 . 1 . . 1 . 222 LYS N . 26906 1 364 . 1 1 65 65 LEU H H 1 8.29 0.02 . 1 . . 1 . 223 LEU H . 26906 1 365 . 1 1 65 65 LEU HA H 1 4.33 0.02 . 1 . . 1 . 223 LEU HA . 26906 1 366 . 1 1 65 65 LEU C C 13 177.09 0.20 . 1 . . 1 . 223 LEU C . 26906 1 367 . 1 1 65 65 LEU CA C 13 55.11 0.20 . 1 . . 1 . 223 LEU CA . 26906 1 368 . 1 1 65 65 LEU CB C 13 42.08 0.20 . 1 . . 1 . 223 LEU CB . 26906 1 369 . 1 1 65 65 LEU N N 15 123.03 0.15 . 1 . . 1 . 223 LEU N . 26906 1 370 . 1 1 66 66 ASN H H 1 8.45 0.02 . 1 . . 1 . 224 ASN H . 26906 1 371 . 1 1 66 66 ASN HA H 1 4.66 0.02 . 1 . . 1 . 224 ASN HA . 26906 1 372 . 1 1 66 66 ASN C C 13 174.83 0.20 . 1 . . 1 . 224 ASN C . 26906 1 373 . 1 1 66 66 ASN CA C 13 53.10 0.20 . 1 . . 1 . 224 ASN CA . 26906 1 374 . 1 1 66 66 ASN CB C 13 38.70 0.20 . 1 . . 1 . 224 ASN CB . 26906 1 375 . 1 1 66 66 ASN N N 15 119.01 0.15 . 1 . . 1 . 224 ASN N . 26906 1 376 . 1 1 67 67 ASN H H 1 8.42 0.02 . 1 . . 1 . 225 ASN H . 26906 1 377 . 1 1 67 67 ASN HA H 1 4.68 0.02 . 1 . . 1 . 225 ASN HA . 26906 1 378 . 1 1 67 67 ASN C C 13 175.11 0.20 . 1 . . 1 . 225 ASN C . 26906 1 379 . 1 1 67 67 ASN CA C 13 53.26 0.20 . 1 . . 1 . 225 ASN CA . 26906 1 380 . 1 1 67 67 ASN CB C 13 38.58 0.20 . 1 . . 1 . 225 ASN CB . 26906 1 381 . 1 1 67 67 ASN N N 15 119.05 0.15 . 1 . . 1 . 225 ASN N . 26906 1 382 . 1 1 68 68 LEU H H 1 8.25 0.02 . 1 . . 1 . 226 LEU H . 26906 1 383 . 1 1 68 68 LEU HA H 1 4.32 0.02 . 1 . . 1 . 226 LEU HA . 26906 1 384 . 1 1 68 68 LEU C C 13 177.31 0.20 . 1 . . 1 . 226 LEU C . 26906 1 385 . 1 1 68 68 LEU CA C 13 55.41 0.20 . 1 . . 1 . 226 LEU CA . 26906 1 386 . 1 1 68 68 LEU CB C 13 42.03 0.20 . 1 . . 1 . 226 LEU CB . 26906 1 387 . 1 1 68 68 LEU N N 15 121.86 0.15 . 1 . . 1 . 226 LEU N . 26906 1 388 . 1 1 69 69 LEU H H 1 8.19 0.02 . 1 . . 1 . 227 LEU H . 26906 1 389 . 1 1 69 69 LEU HA H 1 4.37 0.02 . 1 . . 1 . 227 LEU HA . 26906 1 390 . 1 1 69 69 LEU C C 13 177.22 0.20 . 1 . . 1 . 227 LEU C . 26906 1 391 . 1 1 69 69 LEU CA C 13 54.99 0.20 . 1 . . 1 . 227 LEU CA . 26906 1 392 . 1 1 69 69 LEU CB C 13 41.94 0.20 . 1 . . 1 . 227 LEU CB . 26906 1 393 . 1 1 69 69 LEU N N 15 121.85 0.15 . 1 . . 1 . 227 LEU N . 26906 1 394 . 1 1 70 70 GLU H H 1 8.31 0.02 . 1 . . 1 . 228 GLU H . 26906 1 395 . 1 1 70 70 GLU HA H 1 4.32 0.02 . 1 . . 1 . 228 GLU HA . 26906 1 396 . 1 1 70 70 GLU C C 13 176.72 0.20 . 1 . . 1 . 228 GLU C . 26906 1 397 . 1 1 70 70 GLU CA C 13 56.46 0.20 . 1 . . 1 . 228 GLU CA . 26906 1 398 . 1 1 70 70 GLU CB C 13 30.33 0.20 . 1 . . 1 . 228 GLU CB . 26906 1 399 . 1 1 70 70 GLU N N 15 121.18 0.15 . 1 . . 1 . 228 GLU N . 26906 1 400 . 1 1 71 71 GLY H H 1 8.47 0.02 . 1 . . 1 . 229 GLY H . 26906 1 401 . 1 1 71 71 GLY HA2 H 1 3.98 0.02 . 1 . . 1 . 229 GLY HA2 . 26906 1 402 . 1 1 71 71 GLY C C 13 173.75 0.20 . 1 . . 1 . 229 GLY C . 26906 1 403 . 1 1 71 71 GLY CA C 13 45.13 0.20 . 1 . . 1 . 229 GLY CA . 26906 1 404 . 1 1 71 71 GLY N N 15 109.77 0.15 . 1 . . 1 . 229 GLY N . 26906 1 405 . 1 1 72 72 ASN H H 1 8.41 0.02 . 1 . . 1 . 230 ASN H . 26906 1 406 . 1 1 72 72 ASN HA H 1 4.77 0.02 . 1 . . 1 . 230 ASN HA . 26906 1 407 . 1 1 72 72 ASN C C 13 174.98 0.20 . 1 . . 1 . 230 ASN C . 26906 1 408 . 1 1 72 72 ASN CA C 13 52.96 0.20 . 1 . . 1 . 230 ASN CA . 26906 1 409 . 1 1 72 72 ASN CB C 13 39.24 0.20 . 1 . . 1 . 230 ASN CB . 26906 1 410 . 1 1 72 72 ASN N N 15 118.58 0.15 . 1 . . 1 . 230 ASN N . 26906 1 411 . 1 1 73 73 ASP H H 1 8.55 0.02 . 1 . . 1 . 231 ASP H . 26906 1 412 . 1 1 73 73 ASP HA H 1 4.65 0.02 . 1 . . 1 . 231 ASP HA . 26906 1 413 . 1 1 73 73 ASP C C 13 176.35 0.20 . 1 . . 1 . 231 ASP C . 26906 1 414 . 1 1 73 73 ASP CA C 13 54.45 0.20 . 1 . . 1 . 231 ASP CA . 26906 1 415 . 1 1 73 73 ASP CB C 13 41.07 0.20 . 1 . . 1 . 231 ASP CB . 26906 1 416 . 1 1 73 73 ASP N N 15 121.12 0.15 . 1 . . 1 . 231 ASP N . 26906 1 417 . 1 1 74 74 SER H H 1 8.33 0.02 . 1 . . 1 . 232 SER H . 26906 1 418 . 1 1 74 74 SER HA H 1 4.42 0.02 . 1 . . 1 . 232 SER HA . 26906 1 419 . 1 1 74 74 SER C C 13 174.38 0.20 . 1 . . 1 . 232 SER C . 26906 1 420 . 1 1 74 74 SER CA C 13 58.62 0.20 . 1 . . 1 . 232 SER CA . 26906 1 421 . 1 1 74 74 SER CB C 13 63.75 0.20 . 1 . . 1 . 232 SER CB . 26906 1 422 . 1 1 74 74 SER N N 15 115.61 0.15 . 1 . . 1 . 232 SER N . 26906 1 423 . 1 1 75 75 ASP H H 1 8.41 0.02 . 1 . . 1 . 233 ASP H . 26906 1 424 . 1 1 75 75 ASP HA H 1 4.63 0.02 . 1 . . 1 . 233 ASP HA . 26906 1 425 . 1 1 75 75 ASP C C 13 175.97 0.20 . 1 . . 1 . 233 ASP C . 26906 1 426 . 1 1 75 75 ASP CA C 13 54.48 0.20 . 1 . . 1 . 233 ASP CA . 26906 1 427 . 1 1 75 75 ASP CB C 13 40.88 0.20 . 1 . . 1 . 233 ASP CB . 26906 1 428 . 1 1 75 75 ASP N N 15 122.02 0.15 . 1 . . 1 . 233 ASP N . 26906 1 429 . 1 1 76 76 ASN H H 1 8.28 0.02 . 1 . . 1 . 234 ASN H . 26906 1 430 . 1 1 76 76 ASN HA H 1 4.69 0.02 . 1 . . 1 . 234 ASN HA . 26906 1 431 . 1 1 76 76 ASN HD21 H 1 7.68 0.02 . 1 . . 1 . 234 ASN HD21 . 26906 1 432 . 1 1 76 76 ASN HD22 H 1 6.95 0.02 . 1 . . 1 . 234 ASN HD22 . 26906 1 433 . 1 1 76 76 ASN C C 13 174.72 0.20 . 1 . . 1 . 234 ASN C . 26906 1 434 . 1 1 76 76 ASN CA C 13 53.22 0.20 . 1 . . 1 . 234 ASN CA . 26906 1 435 . 1 1 76 76 ASN CB C 13 39.12 0.20 . 1 . . 1 . 234 ASN CB . 26906 1 436 . 1 1 76 76 ASN N N 15 118.60 0.15 . 1 . . 1 . 234 ASN N . 26906 1 437 . 1 1 76 76 ASN ND2 N 15 113.18 0.15 . 1 . . 1 . 234 ASN ND2 . 26906 1 438 . 1 1 77 77 ASP H H 1 8.38 0.02 . 1 . . 1 . 235 ASP H . 26906 1 439 . 1 1 77 77 ASP HA H 1 4.60 0.02 . 1 . . 1 . 235 ASP HA . 26906 1 440 . 1 1 77 77 ASP C C 13 176.22 0.20 . 1 . . 1 . 235 ASP C . 26906 1 441 . 1 1 77 77 ASP CA C 13 54.27 0.20 . 1 . . 1 . 235 ASP CA . 26906 1 442 . 1 1 77 77 ASP CB C 13 40.85 0.20 . 1 . . 1 . 235 ASP CB . 26906 1 443 . 1 1 77 77 ASP N N 15 120.73 0.15 . 1 . . 1 . 235 ASP N . 26906 1 444 . 1 1 78 78 LEU H H 1 8.26 0.02 . 1 . . 1 . 236 LEU H . 26906 1 445 . 1 1 78 78 LEU HA H 1 4.35 0.02 . 1 . . 1 . 236 LEU HA . 26906 1 446 . 1 1 78 78 LEU C C 13 177.45 0.20 . 1 . . 1 . 236 LEU C . 26906 1 447 . 1 1 78 78 LEU CA C 13 55.13 0.20 . 1 . . 1 . 236 LEU CA . 26906 1 448 . 1 1 78 78 LEU CB C 13 42.08 0.20 . 1 . . 1 . 236 LEU CB . 26906 1 449 . 1 1 78 78 LEU N N 15 122.86 0.15 . 1 . . 1 . 236 LEU N . 26906 1 450 . 1 1 79 79 SER H H 1 8.46 0.02 . 1 . . 1 . 237 SER H . 26906 1 451 . 1 1 79 79 SER HA H 1 4.42 0.02 . 1 . . 1 . 237 SER HA . 26906 1 452 . 1 1 79 79 SER C C 13 174.55 0.20 . 1 . . 1 . 237 SER C . 26906 1 453 . 1 1 79 79 SER CA C 13 58.38 0.20 . 1 . . 1 . 237 SER CA . 26906 1 454 . 1 1 79 79 SER CB C 13 63.52 0.20 . 1 . . 1 . 237 SER CB . 26906 1 455 . 1 1 79 79 SER N N 15 116.86 0.15 . 1 . . 1 . 237 SER N . 26906 1 456 . 1 1 80 80 LEU H H 1 8.27 0.02 . 1 . . 1 . 238 LEU H . 26906 1 457 . 1 1 80 80 LEU HA H 1 4.36 0.02 . 1 . . 1 . 238 LEU HA . 26906 1 458 . 1 1 80 80 LEU C C 13 177.29 0.20 . 1 . . 1 . 238 LEU C . 26906 1 459 . 1 1 80 80 LEU CA C 13 55.06 0.20 . 1 . . 1 . 238 LEU CA . 26906 1 460 . 1 1 80 80 LEU CB C 13 42.16 0.20 . 1 . . 1 . 238 LEU CB . 26906 1 461 . 1 1 80 80 LEU N N 15 123.93 0.15 . 1 . . 1 . 238 LEU N . 26906 1 462 . 1 1 81 81 GLU H H 1 8.27 0.02 . 1 . . 1 . 239 GLU H . 26906 1 463 . 1 1 81 81 GLU HA H 1 4.25 0.02 . 1 . . 1 . 239 GLU HA . 26906 1 464 . 1 1 81 81 GLU C C 13 175.67 0.20 . 1 . . 1 . 239 GLU C . 26906 1 465 . 1 1 81 81 GLU CA C 13 56.23 0.20 . 1 . . 1 . 239 GLU CA . 26906 1 466 . 1 1 81 81 GLU CB C 13 30.34 0.20 . 1 . . 1 . 239 GLU CB . 26906 1 467 . 1 1 81 81 GLU N N 15 120.54 0.15 . 1 . . 1 . 239 GLU N . 26906 1 468 . 1 1 82 82 ASP H H 1 8.23 0.02 . 1 . . 1 . 240 ASP H . 26906 1 469 . 1 1 82 82 ASP HA H 1 4.59 0.02 . 1 . . 1 . 240 ASP HA . 26906 1 470 . 1 1 82 82 ASP C C 13 174.59 0.20 . 1 . . 1 . 240 ASP C . 26906 1 471 . 1 1 82 82 ASP CA C 13 54.08 0.20 . 1 . . 1 . 240 ASP CA . 26906 1 472 . 1 1 82 82 ASP CB C 13 41.15 0.20 . 1 . . 1 . 240 ASP CB . 26906 1 473 . 1 1 82 82 ASP N N 15 121.33 0.15 . 1 . . 1 . 240 ASP N . 26906 1 474 . 1 1 83 83 PHE H H 1 7.64 0.02 . 1 . . 1 . 241 PHE H . 26906 1 475 . 1 1 83 83 PHE HA H 1 4.43 0.02 . 1 . . 1 . 241 PHE HA . 26906 1 476 . 1 1 83 83 PHE CA C 13 58.90 0.20 . 1 . . 1 . 241 PHE CA . 26906 1 477 . 1 1 83 83 PHE CB C 13 40.34 0.20 . 1 . . 1 . 241 PHE CB . 26906 1 478 . 1 1 83 83 PHE N N 15 124.88 0.15 . 1 . . 1 . 241 PHE N . 26906 1 stop_ save_