data_25271 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25271 _Entry.Title ; NMR assignments of the prolyl peptidyl isomerase domain of the ribosome-associated molecular chaperone trigger factor from Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-07 _Entry.Accession_date 2014-10-07 _Entry.Last_release_date 2014-10-08 _Entry.Original_release_date 2014-10-08 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Chih-Ting Huang . . . . 25271 2 'Shang-Te Danny' Hsu . . . . 25271 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25271 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 353 25271 '15N chemical shifts' 96 25271 '1H chemical shifts' 548 25271 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 . . 2019-07-11 . original BMRB . 25271 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15813 'E. coli Trigger Factor (TF) Ribosome Binding Domain (RBD)' 25271 BMRB 19835 'E. coli Trigger Factor in complex with unfolded PhoA220-310' 25271 BMRB 19836 'E. coli Trigger Factor in complex with unfolded PhoA1-150' 25271 BMRB 5298 PPIase 25271 PDB 1l1p . 25271 PDB 1w26 . 25271 PDB 2vrh . 25271 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25271 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26527152 _Citation.Full_citation . _Citation.Title ; NMR assignments of the peptidyl-prolyl cis-trans isomerase domain of trigger factor from E. coli. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 149 _Citation.Page_last 152 _Citation.Year 2016 _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 Chih-Ting Huang . . . . 25271 1 2 'Shang-Te Danny' Hsu . . . . 25271 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Molecular chaperone' 25271 1 'Prolyl peptidyl isomerase' 25271 1 Ribosome 25271 1 'Trigger factor' 25271 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25271 _Assembly.ID 1 _Assembly.Name PPIase _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 PPIase 1 $trigger_factor A . yes native no no . . . 25271 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 1l1p . . 'solution NMR' . . . 25271 1 yes PDB 1w26 . . X-ray . . . 25271 1 yes PDB 2vrh . . 'cryo electron microscopy' . . . 25271 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Molecular chaperone' 25271 1 'prolyl peptidyl isomerase' 25271 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_trigger_factor _Entity.Sf_category entity _Entity.Sf_framecode trigger_factor _Entity.Entry_ID 25271 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name trigger_factor _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 ; QATWKEKDGAVEAEDRVTID FTGSVDGEEFEGGKASDFVL AMGQGRMIPGFEDGIKGHKA GEEFTIDVTFPEEYHAENLK GKAAKFAINLKKVEERELP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Molecular chaperone' 25271 1 'Prolyl peptidyl isomerase' 25271 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 1 148 GLN . 25271 1 2 149 ALA . 25271 1 3 150 THR . 25271 1 4 151 TRP . 25271 1 5 152 LYS . 25271 1 6 153 GLU . 25271 1 7 154 LYS . 25271 1 8 155 ASP . 25271 1 9 156 GLY . 25271 1 10 157 ALA . 25271 1 11 158 VAL . 25271 1 12 159 GLU . 25271 1 13 160 ALA . 25271 1 14 161 GLU . 25271 1 15 162 ASP . 25271 1 16 163 ARG . 25271 1 17 164 VAL . 25271 1 18 165 THR . 25271 1 19 166 ILE . 25271 1 20 167 ASP . 25271 1 21 168 PHE . 25271 1 22 169 THR . 25271 1 23 170 GLY . 25271 1 24 171 SER . 25271 1 25 172 VAL . 25271 1 26 173 ASP . 25271 1 27 174 GLY . 25271 1 28 175 GLU . 25271 1 29 176 GLU . 25271 1 30 177 PHE . 25271 1 31 178 GLU . 25271 1 32 179 GLY . 25271 1 33 180 GLY . 25271 1 34 181 LYS . 25271 1 35 182 ALA . 25271 1 36 183 SER . 25271 1 37 184 ASP . 25271 1 38 185 PHE . 25271 1 39 186 VAL . 25271 1 40 187 LEU . 25271 1 41 188 ALA . 25271 1 42 189 MET . 25271 1 43 190 GLY . 25271 1 44 191 GLN . 25271 1 45 192 GLY . 25271 1 46 193 ARG . 25271 1 47 194 MET . 25271 1 48 195 ILE . 25271 1 49 196 PRO . 25271 1 50 197 GLY . 25271 1 51 198 PHE . 25271 1 52 199 GLU . 25271 1 53 200 ASP . 25271 1 54 201 GLY . 25271 1 55 202 ILE . 25271 1 56 203 LYS . 25271 1 57 204 GLY . 25271 1 58 205 HIS . 25271 1 59 206 LYS . 25271 1 60 207 ALA . 25271 1 61 208 GLY . 25271 1 62 209 GLU . 25271 1 63 210 GLU . 25271 1 64 211 PHE . 25271 1 65 212 THR . 25271 1 66 213 ILE . 25271 1 67 214 ASP . 25271 1 68 215 VAL . 25271 1 69 216 THR . 25271 1 70 217 PHE . 25271 1 71 218 PRO . 25271 1 72 219 GLU . 25271 1 73 220 GLU . 25271 1 74 221 TYR . 25271 1 75 222 HIS . 25271 1 76 223 ALA . 25271 1 77 224 GLU . 25271 1 78 225 ASN . 25271 1 79 226 LEU . 25271 1 80 227 LYS . 25271 1 81 228 GLY . 25271 1 82 229 LYS . 25271 1 83 230 ALA . 25271 1 84 231 ALA . 25271 1 85 232 LYS . 25271 1 86 233 PHE . 25271 1 87 234 ALA . 25271 1 88 235 ILE . 25271 1 89 236 ASN . 25271 1 90 237 LEU . 25271 1 91 238 LYS . 25271 1 92 239 LYS . 25271 1 93 240 VAL . 25271 1 94 241 GLU . 25271 1 95 242 GLU . 25271 1 96 243 ARG . 25271 1 97 244 GLU . 25271 1 98 245 LEU . 25271 1 99 246 PRO . 25271 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 . GLN 1 1 25271 1 . ALA 2 2 25271 1 . THR 3 3 25271 1 . TRP 4 4 25271 1 . LYS 5 5 25271 1 . GLU 6 6 25271 1 . LYS 7 7 25271 1 . ASP 8 8 25271 1 . GLY 9 9 25271 1 . ALA 10 10 25271 1 . VAL 11 11 25271 1 . GLU 12 12 25271 1 . ALA 13 13 25271 1 . GLU 14 14 25271 1 . ASP 15 15 25271 1 . ARG 16 16 25271 1 . VAL 17 17 25271 1 . THR 18 18 25271 1 . ILE 19 19 25271 1 . ASP 20 20 25271 1 . PHE 21 21 25271 1 . THR 22 22 25271 1 . GLY 23 23 25271 1 . SER 24 24 25271 1 . VAL 25 25 25271 1 . ASP 26 26 25271 1 . GLY 27 27 25271 1 . GLU 28 28 25271 1 . GLU 29 29 25271 1 . PHE 30 30 25271 1 . GLU 31 31 25271 1 . GLY 32 32 25271 1 . GLY 33 33 25271 1 . LYS 34 34 25271 1 . ALA 35 35 25271 1 . SER 36 36 25271 1 . ASP 37 37 25271 1 . PHE 38 38 25271 1 . VAL 39 39 25271 1 . LEU 40 40 25271 1 . ALA 41 41 25271 1 . MET 42 42 25271 1 . GLY 43 43 25271 1 . GLN 44 44 25271 1 . GLY 45 45 25271 1 . ARG 46 46 25271 1 . MET 47 47 25271 1 . ILE 48 48 25271 1 . PRO 49 49 25271 1 . GLY 50 50 25271 1 . PHE 51 51 25271 1 . GLU 52 52 25271 1 . ASP 53 53 25271 1 . GLY 54 54 25271 1 . ILE 55 55 25271 1 . LYS 56 56 25271 1 . GLY 57 57 25271 1 . HIS 58 58 25271 1 . LYS 59 59 25271 1 . ALA 60 60 25271 1 . GLY 61 61 25271 1 . GLU 62 62 25271 1 . GLU 63 63 25271 1 . PHE 64 64 25271 1 . THR 65 65 25271 1 . ILE 66 66 25271 1 . ASP 67 67 25271 1 . VAL 68 68 25271 1 . THR 69 69 25271 1 . PHE 70 70 25271 1 . PRO 71 71 25271 1 . GLU 72 72 25271 1 . GLU 73 73 25271 1 . TYR 74 74 25271 1 . HIS 75 75 25271 1 . ALA 76 76 25271 1 . GLU 77 77 25271 1 . ASN 78 78 25271 1 . LEU 79 79 25271 1 . LYS 80 80 25271 1 . GLY 81 81 25271 1 . LYS 82 82 25271 1 . ALA 83 83 25271 1 . ALA 84 84 25271 1 . LYS 85 85 25271 1 . PHE 86 86 25271 1 . ALA 87 87 25271 1 . ILE 88 88 25271 1 . ASN 89 89 25271 1 . LEU 90 90 25271 1 . LYS 91 91 25271 1 . LYS 92 92 25271 1 . VAL 93 93 25271 1 . GLU 94 94 25271 1 . GLU 95 95 25271 1 . ARG 96 96 25271 1 . GLU 97 97 25271 1 . LEU 98 98 25271 1 . PRO 99 99 25271 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 25271 _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 $trigger_factor . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25271 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 25271 _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 $trigger_factor . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET14b . . . 25271 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_PPIase _Sample.Sf_category sample _Sample.Sf_framecode PPIase _Sample.Entry_ID 25271 _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 'trigger factor' '[U-98% 13C; U-98% 15N]' . . 1 $trigger_factor . . 0.5 . . mM . . . . 25271 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 25271 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 25271 1 4 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25271 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25271 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25271 _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' 0.1 . M 25271 1 pH 7.6 . pH 25271 1 pressure 1 . atm 25271 1 temperature 298 . K 25271 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25271 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25271 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25271 1 'peak picking' 25271 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25271 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25271 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25271 2 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 25271 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 25271 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25271 3 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 25271 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25271 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 25271 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25271 1 2 spectrometer_2 Bruker Avance . 850 . . . 25271 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 25271 _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 $PPIase isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25271 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $PPIase isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25271 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $PPIase isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25271 1 4 '3D HNCO' no . . . . . . . . . . 1 $PPIase isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25271 1 5 '3D HNCACB' no . . . . . . . . . . 1 $PPIase isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25271 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $PPIase isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25271 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $PPIase isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25271 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 25271 _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 water protons . . . . ppm 4.755 internal indirect 0.251449530 . . . . . 25271 1 H 1 water protons . . . . ppm 4.755 internal indirect 1 . . . . . 25271 1 N 15 water protons . . . . ppm 4.755 internal indirect 0.101329118 . . . . . 25271 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 25271 _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 '2D 1H-15N HSQC' . . . 25271 1 2 '2D 1H-13C HSQC' . . . 25271 1 3 '2D 1H-13C HSQC aromatic' . . . 25271 1 4 '3D HNCO' . . . 25271 1 5 '3D HNCACB' . . . 25271 1 6 '3D CBCA(CO)NH' . . . 25271 1 7 '3D C(CO)NH' . . . 25271 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 $SPARKY . . 25271 1 3 $PINE . . 25271 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLN C C 13 175.525 0.000 1 1 . . . . . 148 Q C . 25271 1 2 . 1 1 2 2 ALA H H 1 8.280 0.005 8 1 . . . . . 149 A H . 25271 1 3 . 1 1 2 2 ALA HA H 1 4.292 0.000 1 1 . . . . . 149 A HA . 25271 1 4 . 1 1 2 2 ALA HB1 H 1 1.163 0.001 2 1 . . . . . 149 A MB . 25271 1 5 . 1 1 2 2 ALA HB2 H 1 1.163 0.001 2 1 . . . . . 149 A MB . 25271 1 6 . 1 1 2 2 ALA HB3 H 1 1.163 0.001 2 1 . . . . . 149 A MB . 25271 1 7 . 1 1 2 2 ALA C C 13 176.897 0.000 1 1 . . . . . 149 A C . 25271 1 8 . 1 1 2 2 ALA CA C 13 52.404 0.027 3 1 . . . . . 149 A CA . 25271 1 9 . 1 1 2 2 ALA CB C 13 19.543 0.090 5 1 . . . . . 149 A CB . 25271 1 10 . 1 1 2 2 ALA N N 15 125.693 0.025 8 1 . . . . . 149 A N . 25271 1 11 . 1 1 3 3 THR H H 1 8.096 0.010 10 1 . . . . . 150 T H . 25271 1 12 . 1 1 3 3 THR HA H 1 4.444 0.000 1 1 . . . . . 150 T HA . 25271 1 13 . 1 1 3 3 THR HB H 1 4.153 0.000 1 1 . . . . . 150 T HB . 25271 1 14 . 1 1 3 3 THR HG21 H 1 1.126 0.000 1 1 . . . . . 150 T MG . 25271 1 15 . 1 1 3 3 THR HG22 H 1 1.126 0.000 1 1 . . . . . 150 T MG . 25271 1 16 . 1 1 3 3 THR HG23 H 1 1.126 0.000 1 1 . . . . . 150 T MG . 25271 1 17 . 1 1 3 3 THR C C 13 173.166 0.017 2 1 . . . . . 150 T C . 25271 1 18 . 1 1 3 3 THR CA C 13 61.513 0.029 3 1 . . . . . 150 T CA . 25271 1 19 . 1 1 3 3 THR CB C 13 70.526 0.018 3 1 . . . . . 150 T CB . 25271 1 20 . 1 1 3 3 THR CG2 C 13 21.989 0.044 2 1 . . . . . 150 T CG2 . 25271 1 21 . 1 1 3 3 THR N N 15 114.784 0.009 10 1 . . . . . 150 T N . 25271 1 22 . 1 1 4 4 TRP H H 1 8.380 0.011 10 1 . . . . . 151 W H . 25271 1 23 . 1 1 4 4 TRP HA H 1 5.041 0.000 1 1 . . . . . 151 W HA . 25271 1 24 . 1 1 4 4 TRP HB2 H 1 2.891 0.000 1 1 . . . . . 151 W HB2 . 25271 1 25 . 1 1 4 4 TRP HB3 H 1 2.720 0.000 1 1 . . . . . 151 W HB3 . 25271 1 26 . 1 1 4 4 TRP HD1 H 1 7.012 0.000 1 1 . . . . . 151 W HD1 . 25271 1 27 . 1 1 4 4 TRP HE1 H 1 9.845 0.000 1 1 . . . . . 151 W HE1 . 25271 1 28 . 1 1 4 4 TRP C C 13 175.638 0.000 1 1 . . . . . 151 W C . 25271 1 29 . 1 1 4 4 TRP CA C 13 56.364 0.058 4 1 . . . . . 151 W CA . 25271 1 30 . 1 1 4 4 TRP CB C 13 32.814 0.046 4 1 . . . . . 151 W CB . 25271 1 31 . 1 1 4 4 TRP N N 15 123.061 0.017 10 1 . . . . . 151 W N . 25271 1 32 . 1 1 4 4 TRP NE1 N 15 128.847 0.000 1 1 . . . . . 151 W NE1 . 25271 1 33 . 1 1 5 5 LYS H H 1 9.545 0.011 12 1 . . . . . 152 K H . 25271 1 34 . 1 1 5 5 LYS HA H 1 4.947 0.000 1 1 . . . . . 152 K HA . 25271 1 35 . 1 1 5 5 LYS HB2 H 1 1.842 0.000 1 1 . . . . . 152 K HB2 . 25271 1 36 . 1 1 5 5 LYS HB3 H 1 1.689 0.000 1 1 . . . . . 152 K HB3 . 25271 1 37 . 1 1 5 5 LYS HG2 H 1 1.391 0.000 1 1 . . . . . 152 K HG2 . 25271 1 38 . 1 1 5 5 LYS C C 13 175.209 0.000 1 1 . . . . . 152 K C . 25271 1 39 . 1 1 5 5 LYS CA C 13 54.865 0.855 4 1 . . . . . 152 K CA . 25271 1 40 . 1 1 5 5 LYS CB C 13 35.961 0.074 4 1 . . . . . 152 K CB . 25271 1 41 . 1 1 5 5 LYS CG C 13 23.770 0.000 1 1 . . . . . 152 K CG . 25271 1 42 . 1 1 5 5 LYS CD C 13 29.504 0.000 1 1 . . . . . 152 K CD . 25271 1 43 . 1 1 5 5 LYS N N 15 121.497 0.017 12 1 . . . . . 152 K N . 25271 1 44 . 1 1 6 6 GLU H H 1 8.856 0.013 15 1 . . . . . 153 E H . 25271 1 45 . 1 1 6 6 GLU HA H 1 4.427 0.000 1 1 . . . . . 153 E HA . 25271 1 46 . 1 1 6 6 GLU HB2 H 1 2.434 0.000 1 1 . . . . . 153 E HB2 . 25271 1 47 . 1 1 6 6 GLU HB3 H 1 2.243 0.000 1 1 . . . . . 153 E HB3 . 25271 1 48 . 1 1 6 6 GLU HG2 H 1 2.037 0.000 1 1 . . . . . 153 E HG2 . 25271 1 49 . 1 1 6 6 GLU C C 13 175.465 0.000 1 1 . . . . . 153 E C . 25271 1 50 . 1 1 6 6 GLU CA C 13 58.298 0.004 3 1 . . . . . 153 E CA . 25271 1 51 . 1 1 6 6 GLU CB C 13 30.309 0.082 3 1 . . . . . 153 E CB . 25271 1 52 . 1 1 6 6 GLU N N 15 123.949 0.021 15 1 . . . . . 153 E N . 25271 1 53 . 1 1 7 7 LYS H H 1 8.818 0.012 9 1 . . . . . 154 K H . 25271 1 54 . 1 1 7 7 LYS HA H 1 4.762 0.000 1 1 . . . . . 154 K HA . 25271 1 55 . 1 1 7 7 LYS HB2 H 1 1.679 0.000 1 1 . . . . . 154 K HB2 . 25271 1 56 . 1 1 7 7 LYS HG2 H 1 1.127 0.000 1 1 . . . . . 154 K HG2 . 25271 1 57 . 1 1 7 7 LYS HD2 H 1 1.433 0.000 1 1 . . . . . 154 K HD2 . 25271 1 58 . 1 1 7 7 LYS C C 13 175.019 0.000 1 1 . . . . . 154 K C . 25271 1 59 . 1 1 7 7 LYS CA C 13 54.659 0.017 3 1 . . . . . 154 K CA . 25271 1 60 . 1 1 7 7 LYS CB C 13 36.281 0.059 3 1 . . . . . 154 K CB . 25271 1 61 . 1 1 7 7 LYS CG C 13 24.161 0.000 1 1 . . . . . 154 K CG . 25271 1 62 . 1 1 7 7 LYS CD C 13 29.813 0.000 1 1 . . . . . 154 K CD . 25271 1 63 . 1 1 7 7 LYS N N 15 123.925 0.015 9 1 . . . . . 154 K N . 25271 1 64 . 1 1 8 8 ASP H H 1 8.692 0.013 13 1 . . . . . 155 D H . 25271 1 65 . 1 1 8 8 ASP HA H 1 4.875 0.000 1 1 . . . . . 155 D HA . 25271 1 66 . 1 1 8 8 ASP HB2 H 1 2.691 0.000 1 1 . . . . . 155 D HB2 . 25271 1 67 . 1 1 8 8 ASP C C 13 176.530 0.000 1 1 . . . . . 155 D C . 25271 1 68 . 1 1 8 8 ASP CA C 13 53.462 0.029 2 1 . . . . . 155 D CA . 25271 1 69 . 1 1 8 8 ASP CB C 13 40.654 0.065 2 1 . . . . . 155 D CB . 25271 1 70 . 1 1 8 8 ASP N N 15 123.769 0.018 13 1 . . . . . 155 D N . 25271 1 71 . 1 1 9 9 GLY H H 1 7.251 0.014 8 1 . . . . . 156 G H . 25271 1 72 . 1 1 9 9 GLY HA2 H 1 4.169 0.000 1 1 . . . . . 156 G HA2 . 25271 1 73 . 1 1 9 9 GLY HA3 H 1 3.892 0.000 1 1 . . . . . 156 G HA3 . 25271 1 74 . 1 1 9 9 GLY C C 13 171.983 0.000 1 1 . . . . . 156 G C . 25271 1 75 . 1 1 9 9 GLY CA C 13 44.175 0.039 3 1 . . . . . 156 G CA . 25271 1 76 . 1 1 9 9 GLY N N 15 106.390 0.016 8 1 . . . . . 156 G N . 25271 1 77 . 1 1 10 10 ALA H H 1 8.214 0.010 7 1 . . . . . 157 A H . 25271 1 78 . 1 1 10 10 ALA HA H 1 4.193 0.000 1 1 . . . . . 157 A HA . 25271 1 79 . 1 1 10 10 ALA HB1 H 1 1.095 0.001 2 1 . . . . . 157 A MB . 25271 1 80 . 1 1 10 10 ALA HB2 H 1 1.095 0.001 2 1 . . . . . 157 A MB . 25271 1 81 . 1 1 10 10 ALA HB3 H 1 1.095 0.001 2 1 . . . . . 157 A MB . 25271 1 82 . 1 1 10 10 ALA C C 13 178.111 0.000 1 1 . . . . . 157 A C . 25271 1 83 . 1 1 10 10 ALA CA C 13 51.343 0.011 4 1 . . . . . 157 A CA . 25271 1 84 . 1 1 10 10 ALA CB C 13 20.200 0.098 4 1 . . . . . 157 A CB . 25271 1 85 . 1 1 10 10 ALA N N 15 119.982 0.021 7 1 . . . . . 157 A N . 25271 1 86 . 1 1 11 11 VAL H H 1 8.713 0.012 9 1 . . . . . 158 V H . 25271 1 87 . 1 1 11 11 VAL HA H 1 3.855 0.000 1 1 . . . . . 158 V HA . 25271 1 88 . 1 1 11 11 VAL HB H 1 2.095 0.000 1 1 . . . . . 158 V HB . 25271 1 89 . 1 1 11 11 VAL HG11 H 1 1.197 0.000 2 1 . . . . . 158 V MG1 . 25271 1 90 . 1 1 11 11 VAL HG12 H 1 1.197 0.000 2 1 . . . . . 158 V MG1 . 25271 1 91 . 1 1 11 11 VAL HG13 H 1 1.197 0.000 2 1 . . . . . 158 V MG1 . 25271 1 92 . 1 1 11 11 VAL HG21 H 1 1.006 0.000 2 1 . . . . . 158 V MG2 . 25271 1 93 . 1 1 11 11 VAL HG22 H 1 1.006 0.000 2 1 . . . . . 158 V MG2 . 25271 1 94 . 1 1 11 11 VAL HG23 H 1 1.006 0.000 2 1 . . . . . 158 V MG2 . 25271 1 95 . 1 1 11 11 VAL C C 13 176.874 0.000 1 1 . . . . . 158 V C . 25271 1 96 . 1 1 11 11 VAL CA C 13 64.444 0.000 2 1 . . . . . 158 V CA . 25271 1 97 . 1 1 11 11 VAL CB C 13 32.760 0.160 4 1 . . . . . 158 V CB . 25271 1 98 . 1 1 11 11 VAL CG1 C 13 25.771 0.013 2 1 . . . . . 158 V CG1 . 25271 1 99 . 1 1 11 11 VAL CG2 C 13 23.744 0.010 2 1 . . . . . 158 V CG2 . 25271 1 100 . 1 1 11 11 VAL N N 15 119.182 0.009 9 1 . . . . . 158 V N . 25271 1 101 . 1 1 12 12 GLU H H 1 9.629 0.010 15 1 . . . . . 159 E H . 25271 1 102 . 1 1 12 12 GLU HA H 1 4.491 0.000 1 1 . . . . . 159 E HA . 25271 1 103 . 1 1 12 12 GLU HB2 H 1 1.854 0.000 1 1 . . . . . 159 E HB2 . 25271 1 104 . 1 1 12 12 GLU HB3 H 1 2.198 0.000 1 1 . . . . . 159 E HB3 . 25271 1 105 . 1 1 12 12 GLU HG2 H 1 2.321 0.000 1 1 . . . . . 159 E HG2 . 25271 1 106 . 1 1 12 12 GLU CA C 13 55.021 0.074 4 1 . . . . . 159 E CA . 25271 1 107 . 1 1 12 12 GLU CB C 13 32.412 0.071 7 1 . . . . . 159 E CB . 25271 1 108 . 1 1 12 12 GLU CG C 13 36.846 0.000 1 1 . . . . . 159 E CG . 25271 1 109 . 1 1 12 12 GLU N N 15 132.088 0.014 15 1 . . . . . 159 E N . 25271 1 110 . 1 1 13 13 ALA H H 1 8.261 0.011 15 1 . . . . . 160 A H . 25271 1 111 . 1 1 13 13 ALA HA H 1 3.848 0.000 1 1 . . . . . 160 A HA . 25271 1 112 . 1 1 13 13 ALA HB1 H 1 1.473 0.000 2 1 . . . . . 160 A MB . 25271 1 113 . 1 1 13 13 ALA HB2 H 1 1.473 0.000 2 1 . . . . . 160 A MB . 25271 1 114 . 1 1 13 13 ALA HB3 H 1 1.473 0.000 2 1 . . . . . 160 A MB . 25271 1 115 . 1 1 13 13 ALA C C 13 177.243 0.000 1 1 . . . . . 160 A C . 25271 1 116 . 1 1 13 13 ALA CA C 13 55.563 0.039 3 1 . . . . . 160 A CA . 25271 1 117 . 1 1 13 13 ALA CB C 13 20.035 0.109 4 1 . . . . . 160 A CB . 25271 1 118 . 1 1 13 13 ALA N N 15 117.348 0.012 15 1 . . . . . 160 A N . 25271 1 119 . 1 1 14 14 GLU H H 1 8.091 0.010 10 1 . . . . . 161 E H . 25271 1 120 . 1 1 14 14 GLU HA H 1 4.640 0.002 2 1 . . . . . 161 E HA . 25271 1 121 . 1 1 14 14 GLU HB2 H 1 1.963 0.000 1 1 . . . . . 161 E HB2 . 25271 1 122 . 1 1 14 14 GLU HG2 H 1 2.457 0.010 2 1 . . . . . 161 E HG2 . 25271 1 123 . 1 1 14 14 GLU HG3 H 1 2.195 0.003 2 1 . . . . . 161 E HG3 . 25271 1 124 . 1 1 14 14 GLU C C 13 177.603 0.000 1 1 . . . . . 161 E C . 25271 1 125 . 1 1 14 14 GLU CA C 13 55.349 0.083 4 1 . . . . . 161 E CA . 25271 1 126 . 1 1 14 14 GLU CB C 13 29.575 0.013 4 1 . . . . . 161 E CB . 25271 1 127 . 1 1 14 14 GLU CG C 13 37.250 0.014 3 1 . . . . . 161 E CG . 25271 1 128 . 1 1 14 14 GLU N N 15 111.955 0.018 10 1 . . . . . 161 E N . 25271 1 129 . 1 1 15 15 ASP H H 1 7.249 0.013 13 1 . . . . . 162 D H . 25271 1 130 . 1 1 15 15 ASP HA H 1 5.210 0.000 1 1 . . . . . 162 D HA . 25271 1 131 . 1 1 15 15 ASP HB2 H 1 3.068 0.000 2 1 . . . . . 162 D HB2 . 25271 1 132 . 1 1 15 15 ASP HB3 H 1 2.918 0.152 2 1 . . . . . 162 D HB3 . 25271 1 133 . 1 1 15 15 ASP C C 13 173.122 0.000 1 1 . . . . . 162 D C . 25271 1 134 . 1 1 15 15 ASP CA C 13 55.403 0.000 3 1 . . . . . 162 D CA . 25271 1 135 . 1 1 15 15 ASP CB C 13 42.106 0.048 6 1 . . . . . 162 D CB . 25271 1 136 . 1 1 15 15 ASP N N 15 122.800 0.011 13 1 . . . . . 162 D N . 25271 1 137 . 1 1 16 16 ARG H H 1 8.856 0.011 11 1 . . . . . 163 R H . 25271 1 138 . 1 1 16 16 ARG HA H 1 5.207 0.000 1 1 . . . . . 163 R HA . 25271 1 139 . 1 1 16 16 ARG HB2 H 1 1.040 0.000 1 1 . . . . . 163 R HB2 . 25271 1 140 . 1 1 16 16 ARG HG2 H 1 0.741 0.000 1 1 . . . . . 163 R HG2 . 25271 1 141 . 1 1 16 16 ARG HG3 H 1 0.168 0.000 1 1 . . . . . 163 R HG3 . 25271 1 142 . 1 1 16 16 ARG HD2 H 1 2.357 0.000 1 1 . . . . . 163 R HD2 . 25271 1 143 . 1 1 16 16 ARG C C 13 176.046 0.000 1 1 . . . . . 163 R C . 25271 1 144 . 1 1 16 16 ARG CA C 13 54.760 0.055 3 1 . . . . . 163 R CA . 25271 1 145 . 1 1 16 16 ARG CB C 13 34.170 0.094 4 1 . . . . . 163 R CB . 25271 1 146 . 1 1 16 16 ARG CG C 13 26.022 0.000 1 1 . . . . . 163 R CG . 25271 1 147 . 1 1 16 16 ARG CD C 13 43.759 0.000 1 1 . . . . . 163 R CD . 25271 1 148 . 1 1 16 16 ARG N N 15 118.448 0.017 11 1 . . . . . 163 R N . 25271 1 149 . 1 1 17 17 VAL H H 1 8.991 0.010 15 1 . . . . . 164 V H . 25271 1 150 . 1 1 17 17 VAL HA H 1 5.358 0.000 1 1 . . . . . 164 V HA . 25271 1 151 . 1 1 17 17 VAL HB H 1 2.150 0.000 1 1 . . . . . 164 V HB . 25271 1 152 . 1 1 17 17 VAL HG11 H 1 1.042 0.062 2 1 . . . . . 164 V MG1 . 25271 1 153 . 1 1 17 17 VAL HG12 H 1 1.042 0.062 2 1 . . . . . 164 V MG1 . 25271 1 154 . 1 1 17 17 VAL HG13 H 1 1.042 0.062 2 1 . . . . . 164 V MG1 . 25271 1 155 . 1 1 17 17 VAL HG21 H 1 1.110 0.001 2 1 . . . . . 164 V MG2 . 25271 1 156 . 1 1 17 17 VAL HG22 H 1 1.110 0.001 2 1 . . . . . 164 V MG2 . 25271 1 157 . 1 1 17 17 VAL HG23 H 1 1.110 0.001 2 1 . . . . . 164 V MG2 . 25271 1 158 . 1 1 17 17 VAL C C 13 173.671 0.000 1 1 . . . . . 164 V C . 25271 1 159 . 1 1 17 17 VAL CA C 13 58.244 0.041 4 1 . . . . . 164 V CA . 25271 1 160 . 1 1 17 17 VAL CB C 13 34.342 0.053 3 1 . . . . . 164 V CB . 25271 1 161 . 1 1 17 17 VAL CG1 C 13 19.610 0.009 2 1 . . . . . 164 V CG1 . 25271 1 162 . 1 1 17 17 VAL CG2 C 13 24.224 0.013 2 1 . . . . . 164 V CG2 . 25271 1 163 . 1 1 17 17 VAL N N 15 119.509 0.010 15 1 . . . . . 164 V N . 25271 1 164 . 1 1 18 18 THR H H 1 8.443 0.011 15 1 . . . . . 165 T H . 25271 1 165 . 1 1 18 18 THR HB H 1 3.865 0.000 1 1 . . . . . 165 T HB . 25271 1 166 . 1 1 18 18 THR HG1 H 1 5.220 0.000 1 1 . . . . . 165 T HG1 . 25271 1 167 . 1 1 18 18 THR HG21 H 1 0.901 0.000 1 1 . . . . . 165 T MG . 25271 1 168 . 1 1 18 18 THR HG22 H 1 0.901 0.000 1 1 . . . . . 165 T MG . 25271 1 169 . 1 1 18 18 THR HG23 H 1 0.901 0.000 1 1 . . . . . 165 T MG . 25271 1 170 . 1 1 18 18 THR C C 13 174.857 0.000 1 1 . . . . . 165 T C . 25271 1 171 . 1 1 18 18 THR CA C 13 62.058 0.042 4 1 . . . . . 165 T CA . 25271 1 172 . 1 1 18 18 THR CB C 13 69.329 0.033 3 1 . . . . . 165 T CB . 25271 1 173 . 1 1 18 18 THR CG2 C 13 19.805 0.000 1 1 . . . . . 165 T CG2 . 25271 1 174 . 1 1 18 18 THR N N 15 119.140 0.021 15 1 . . . . . 165 T N . 25271 1 175 . 1 1 19 19 ILE H H 1 9.558 0.011 10 1 . . . . . 166 I H . 25271 1 176 . 1 1 19 19 ILE HA H 1 5.726 0.000 1 1 . . . . . 166 I HA . 25271 1 177 . 1 1 19 19 ILE HB H 1 2.067 0.000 1 1 . . . . . 166 I HB . 25271 1 178 . 1 1 19 19 ILE HG12 H 1 1.830 0.000 1 1 . . . . . 166 I HG12 . 25271 1 179 . 1 1 19 19 ILE HG13 H 1 1.576 0.000 1 1 . . . . . 166 I HG13 . 25271 1 180 . 1 1 19 19 ILE HG21 H 1 0.966 0.046 3 1 . . . . . 166 I MG . 25271 1 181 . 1 1 19 19 ILE HG22 H 1 0.966 0.046 3 1 . . . . . 166 I MG . 25271 1 182 . 1 1 19 19 ILE HG23 H 1 0.966 0.046 3 1 . . . . . 166 I MG . 25271 1 183 . 1 1 19 19 ILE HD11 H 1 0.746 0.000 1 1 . . . . . 166 I MD . 25271 1 184 . 1 1 19 19 ILE HD12 H 1 0.746 0.000 1 1 . . . . . 166 I MD . 25271 1 185 . 1 1 19 19 ILE HD13 H 1 0.746 0.000 1 1 . . . . . 166 I MD . 25271 1 186 . 1 1 19 19 ILE C C 13 174.537 0.000 1 1 . . . . . 166 I C . 25271 1 187 . 1 1 19 19 ILE CA C 13 58.571 0.039 3 1 . . . . . 166 I CA . 25271 1 188 . 1 1 19 19 ILE CB C 13 42.769 0.110 3 1 . . . . . 166 I CB . 25271 1 189 . 1 1 19 19 ILE CG1 C 13 24.897 0.000 1 1 . . . . . 166 I CG1 . 25271 1 190 . 1 1 19 19 ILE CG2 C 13 19.232 0.000 1 1 . . . . . 166 I CG2 . 25271 1 191 . 1 1 19 19 ILE CD1 C 13 14.294 0.253 2 1 . . . . . 166 I CD1 . 25271 1 192 . 1 1 19 19 ILE N N 15 119.752 0.014 10 1 . . . . . 166 I N . 25271 1 193 . 1 1 20 20 ASP H H 1 8.513 0.012 15 1 . . . . . 167 D H . 25271 1 194 . 1 1 20 20 ASP HA H 1 5.334 0.000 1 1 . . . . . 167 D HA . 25271 1 195 . 1 1 20 20 ASP HB2 H 1 2.994 0.000 1 1 . . . . . 167 D HB2 . 25271 1 196 . 1 1 20 20 ASP HB3 H 1 2.608 0.000 1 1 . . . . . 167 D HB3 . 25271 1 197 . 1 1 20 20 ASP C C 13 176.131 0.000 1 1 . . . . . 167 D C . 25271 1 198 . 1 1 20 20 ASP CA C 13 52.685 0.021 3 1 . . . . . 167 D CA . 25271 1 199 . 1 1 20 20 ASP CB C 13 42.571 0.053 2 1 . . . . . 167 D CB . 25271 1 200 . 1 1 20 20 ASP N N 15 119.058 0.039 15 1 . . . . . 167 D N . 25271 1 201 . 1 1 21 21 PHE H H 1 8.561 0.012 11 1 . . . . . 168 F H . 25271 1 202 . 1 1 21 21 PHE HA H 1 6.062 0.000 1 1 . . . . . 168 F HA . 25271 1 203 . 1 1 21 21 PHE HB2 H 1 2.989 0.000 1 1 . . . . . 168 F HB2 . 25271 1 204 . 1 1 21 21 PHE HE1 H 1 6.935 0.000 1 1 . . . . . 168 F HE . 25271 1 205 . 1 1 21 21 PHE HE2 H 1 6.935 0.000 1 1 . . . . . 168 F HE . 25271 1 206 . 1 1 21 21 PHE C C 13 174.557 0.000 1 1 . . . . . 168 F C . 25271 1 207 . 1 1 21 21 PHE CA C 13 55.960 0.021 3 1 . . . . . 168 F CA . 25271 1 208 . 1 1 21 21 PHE CB C 13 43.813 0.047 5 1 . . . . . 168 F CB . 25271 1 209 . 1 1 21 21 PHE N N 15 114.749 0.017 11 1 . . . . . 168 F N . 25271 1 210 . 1 1 22 22 THR H H 1 8.511 0.011 8 1 . . . . . 169 T H . 25271 1 211 . 1 1 22 22 THR HA H 1 4.859 0.000 1 1 . . . . . 169 T HA . 25271 1 212 . 1 1 22 22 THR HB H 1 4.031 0.000 1 1 . . . . . 169 T HB . 25271 1 213 . 1 1 22 22 THR HG21 H 1 1.077 0.000 1 1 . . . . . 169 T MG . 25271 1 214 . 1 1 22 22 THR HG22 H 1 1.077 0.000 1 1 . . . . . 169 T MG . 25271 1 215 . 1 1 22 22 THR HG23 H 1 1.077 0.000 1 1 . . . . . 169 T MG . 25271 1 216 . 1 1 22 22 THR C C 13 174.832 0.000 1 1 . . . . . 169 T C . 25271 1 217 . 1 1 22 22 THR CA C 13 62.333 0.029 3 1 . . . . . 169 T CA . 25271 1 218 . 1 1 22 22 THR CB C 13 71.648 0.036 3 1 . . . . . 169 T CB . 25271 1 219 . 1 1 22 22 THR CG2 C 13 21.514 0.000 1 1 . . . . . 169 T CG . 25271 1 220 . 1 1 22 22 THR N N 15 114.879 0.023 8 1 . . . . . 169 T N . 25271 1 221 . 1 1 23 23 GLY H H 1 9.419 0.012 12 1 . . . . . 170 G H . 25271 1 222 . 1 1 23 23 GLY HA2 H 1 4.709 0.000 1 1 . . . . . 170 G HA2 . 25271 1 223 . 1 1 23 23 GLY HA3 H 1 2.598 0.000 1 1 . . . . . 170 G HA3 . 25271 1 224 . 1 1 23 23 GLY C C 13 172.455 0.000 1 1 . . . . . 170 G C . 25271 1 225 . 1 1 23 23 GLY CA C 13 44.945 0.061 4 1 . . . . . 170 G CA . 25271 1 226 . 1 1 23 23 GLY N N 15 119.332 0.012 12 1 . . . . . 170 G N . 25271 1 227 . 1 1 24 24 SER H H 1 8.947 0.011 8 1 . . . . . 171 S H . 25271 1 228 . 1 1 24 24 SER HA H 1 5.015 0.000 1 1 . . . . . 171 S HA . 25271 1 229 . 1 1 24 24 SER HB2 H 1 3.289 0.000 1 1 . . . . . 171 S HB2 . 25271 1 230 . 1 1 24 24 SER HB3 H 1 3.551 0.000 1 1 . . . . . 171 S HB3 . 25271 1 231 . 1 1 24 24 SER C C 13 172.985 0.000 1 1 . . . . . 171 S C . 25271 1 232 . 1 1 24 24 SER CA C 13 57.544 0.036 4 1 . . . . . 171 S CA . 25271 1 233 . 1 1 24 24 SER CB C 13 66.259 0.018 4 1 . . . . . 171 S CB . 25271 1 234 . 1 1 24 24 SER N N 15 115.195 0.018 8 1 . . . . . 171 S N . 25271 1 235 . 1 1 25 25 VAL H H 1 8.904 0.011 12 1 . . . . . 172 V H . 25271 1 236 . 1 1 25 25 VAL HA H 1 4.455 0.000 1 1 . . . . . 172 V HA . 25271 1 237 . 1 1 25 25 VAL HB H 1 1.858 0.000 1 1 . . . . . 172 V HB . 25271 1 238 . 1 1 25 25 VAL HG11 H 1 0.778 0.001 2 1 . . . . . 172 V MG1 . 25271 1 239 . 1 1 25 25 VAL HG12 H 1 0.778 0.001 2 1 . . . . . 172 V MG1 . 25271 1 240 . 1 1 25 25 VAL HG13 H 1 0.778 0.001 2 1 . . . . . 172 V MG1 . 25271 1 241 . 1 1 25 25 VAL HG21 H 1 0.877 0.002 2 1 . . . . . 172 V MG2 . 25271 1 242 . 1 1 25 25 VAL HG22 H 1 0.877 0.002 2 1 . . . . . 172 V MG2 . 25271 1 243 . 1 1 25 25 VAL HG23 H 1 0.877 0.002 2 1 . . . . . 172 V MG2 . 25271 1 244 . 1 1 25 25 VAL C C 13 176.186 0.000 1 1 . . . . . 172 V C . 25271 1 245 . 1 1 25 25 VAL CA C 13 61.510 0.036 4 1 . . . . . 172 V CA . 25271 1 246 . 1 1 25 25 VAL CB C 13 34.636 0.029 4 1 . . . . . 172 V CB . 25271 1 247 . 1 1 25 25 VAL CG1 C 13 21.492 0.046 2 1 . . . . . 172 V CG1 . 25271 1 248 . 1 1 25 25 VAL CG2 C 13 21.473 0.000 1 1 . . . . . 172 V CG2 . 25271 1 249 . 1 1 25 25 VAL N N 15 120.651 0.015 12 1 . . . . . 172 V N . 25271 1 250 . 1 1 26 26 ASP H H 1 9.578 0.011 14 1 . . . . . 173 D H . 25271 1 251 . 1 1 26 26 ASP HA H 1 4.287 0.000 1 1 . . . . . 173 D HA . 25271 1 252 . 1 1 26 26 ASP HB2 H 1 2.990 0.000 1 1 . . . . . 173 D HB2 . 25271 1 253 . 1 1 26 26 ASP HB3 H 1 2.700 0.000 1 1 . . . . . 173 D HB3 . 25271 1 254 . 1 1 26 26 ASP C C 13 175.875 0.000 1 1 . . . . . 173 D C . 25271 1 255 . 1 1 26 26 ASP CA C 13 55.725 0.004 2 1 . . . . . 173 D CA . 25271 1 256 . 1 1 26 26 ASP CB C 13 39.727 0.081 2 1 . . . . . 173 D CB . 25271 1 257 . 1 1 26 26 ASP N N 15 129.255 0.016 14 1 . . . . . 173 D N . 25271 1 258 . 1 1 27 27 GLY H H 1 8.592 0.011 6 1 . . . . . 174 G H . 25271 1 259 . 1 1 27 27 GLY HA2 H 1 4.199 0.000 1 1 . . . . . 174 G HA2 . 25271 1 260 . 1 1 27 27 GLY HA3 H 1 3.569 0.000 1 1 . . . . . 174 G HA3 . 25271 1 261 . 1 1 27 27 GLY C C 13 173.859 0.000 1 1 . . . . . 174 G C . 25271 1 262 . 1 1 27 27 GLY CA C 13 45.431 0.061 3 1 . . . . . 174 G CA . 25271 1 263 . 1 1 27 27 GLY N N 15 102.241 0.028 6 1 . . . . . 174 G N . 25271 1 264 . 1 1 28 28 GLU H H 1 7.890 0.012 8 1 . . . . . 175 E H . 25271 1 265 . 1 1 28 28 GLU HA H 1 4.698 0.000 1 1 . . . . . 175 E HA . 25271 1 266 . 1 1 28 28 GLU HB2 H 1 2.189 0.000 1 1 . . . . . 175 E HB2 . 25271 1 267 . 1 1 28 28 GLU HB3 H 1 1.978 0.000 1 1 . . . . . 175 E HB3 . 25271 1 268 . 1 1 28 28 GLU HG2 H 1 2.325 0.000 1 1 . . . . . 175 E HG2 . 25271 1 269 . 1 1 28 28 GLU HG3 H 1 2.187 0.000 1 1 . . . . . 175 E HG3 . 25271 1 270 . 1 1 28 28 GLU C C 13 176.080 0.000 1 1 . . . . . 175 E C . 25271 1 271 . 1 1 28 28 GLU CA C 13 54.813 0.053 4 1 . . . . . 175 E CA . 25271 1 272 . 1 1 28 28 GLU CB C 13 32.135 0.073 4 1 . . . . . 175 E CB . 25271 1 273 . 1 1 28 28 GLU CG C 13 35.895 0.000 1 1 . . . . . 175 E CG . 25271 1 274 . 1 1 28 28 GLU N N 15 120.502 0.010 8 1 . . . . . 175 E N . 25271 1 275 . 1 1 29 29 GLU H H 1 8.750 0.013 15 1 . . . . . 176 E H . 25271 1 276 . 1 1 29 29 GLU HA H 1 4.432 0.000 1 1 . . . . . 176 E HA . 25271 1 277 . 1 1 29 29 GLU HB2 H 1 1.970 0.000 1 1 . . . . . 176 E HB2 . 25271 1 278 . 1 1 29 29 GLU HB3 H 1 1.834 0.000 1 1 . . . . . 176 E HB3 . 25271 1 279 . 1 1 29 29 GLU HG2 H 1 2.258 0.000 1 1 . . . . . 176 E HG2 . 25271 1 280 . 1 1 29 29 GLU HG3 H 1 2.076 0.000 1 1 . . . . . 176 E HG3 . 25271 1 281 . 1 1 29 29 GLU C C 13 175.843 0.000 1 1 . . . . . 176 E C . 25271 1 282 . 1 1 29 29 GLU CA C 13 57.027 0.045 4 1 . . . . . 176 E CA . 25271 1 283 . 1 1 29 29 GLU CB C 13 30.272 0.080 4 1 . . . . . 176 E CB . 25271 1 284 . 1 1 29 29 GLU CG C 13 36.677 0.000 1 1 . . . . . 176 E CG . 25271 1 285 . 1 1 29 29 GLU N N 15 124.889 0.020 15 1 . . . . . 176 E N . 25271 1 286 . 1 1 30 30 PHE H H 1 7.196 0.013 15 1 . . . . . 177 F H . 25271 1 287 . 1 1 30 30 PHE HA H 1 5.061 0.000 1 1 . . . . . 177 F HA . 25271 1 288 . 1 1 30 30 PHE HB2 H 1 3.096 0.000 1 1 . . . . . 177 F HB2 . 25271 1 289 . 1 1 30 30 PHE HB3 H 1 2.969 0.000 1 1 . . . . . 177 F HB3 . 25271 1 290 . 1 1 30 30 PHE HD1 H 1 6.990 0.000 1 1 . . . . . 177 F HD . 25271 1 291 . 1 1 30 30 PHE HD2 H 1 6.990 0.000 1 1 . . . . . 177 F HD . 25271 1 292 . 1 1 30 30 PHE HE1 H 1 7.058 0.000 1 1 . . . . . 177 F HE . 25271 1 293 . 1 1 30 30 PHE HE2 H 1 7.058 0.000 1 1 . . . . . 177 F HE . 25271 1 294 . 1 1 30 30 PHE C C 13 175.468 0.000 1 1 . . . . . 177 F C . 25271 1 295 . 1 1 30 30 PHE CA C 13 54.441 0.094 4 1 . . . . . 177 F CA . 25271 1 296 . 1 1 30 30 PHE CB C 13 41.562 0.131 4 1 . . . . . 177 F CB . 25271 1 297 . 1 1 30 30 PHE N N 15 116.664 0.014 15 1 . . . . . 177 F N . 25271 1 298 . 1 1 31 31 GLU H H 1 9.016 0.011 10 1 . . . . . 178 E H . 25271 1 299 . 1 1 31 31 GLU CA C 13 58.132 0.000 1 1 . . . . . 178 E CA . 25271 1 300 . 1 1 31 31 GLU CB C 13 29.362 0.000 1 1 . . . . . 178 E CB . 25271 1 301 . 1 1 31 31 GLU N N 15 124.593 0.020 10 1 . . . . . 178 E N . 25271 1 302 . 1 1 32 32 GLY HA2 H 1 4.419 0.000 1 1 . . . . . 179 G HA2 . 25271 1 303 . 1 1 32 32 GLY HA3 H 1 3.956 0.000 1 1 . . . . . 179 G HA3 . 25271 1 304 . 1 1 32 32 GLY C C 13 175.951 0.000 1 1 . . . . . 179 G C . 25271 1 305 . 1 1 32 32 GLY CA C 13 45.668 0.037 2 1 . . . . . 179 G CA . 25271 1 306 . 1 1 33 33 GLY H H 1 7.892 0.012 6 1 . . . . . 180 G H . 25271 1 307 . 1 1 33 33 GLY HA2 H 1 4.127 0.000 1 1 . . . . . 180 G HA2 . 25271 1 308 . 1 1 33 33 GLY HA3 H 1 2.819 0.000 1 1 . . . . . 180 G HA3 . 25271 1 309 . 1 1 33 33 GLY C C 13 172.102 0.000 1 1 . . . . . 180 G C . 25271 1 310 . 1 1 33 33 GLY CA C 13 46.567 0.061 4 1 . . . . . 180 G CA . 25271 1 311 . 1 1 33 33 GLY N N 15 107.616 0.023 6 1 . . . . . 180 G N . 25271 1 312 . 1 1 34 34 LYS H H 1 7.482 0.012 8 1 . . . . . 181 K H . 25271 1 313 . 1 1 34 34 LYS HA H 1 5.235 0.000 1 1 . . . . . 181 K HA . 25271 1 314 . 1 1 34 34 LYS HB2 H 1 1.680 0.000 1 1 . . . . . 181 K HB2 . 25271 1 315 . 1 1 34 34 LYS HG2 H 1 1.491 0.000 1 1 . . . . . 181 K HG2 . 25271 1 316 . 1 1 34 34 LYS HG3 H 1 1.219 0.000 1 1 . . . . . 181 K HG3 . 25271 1 317 . 1 1 34 34 LYS HD2 H 1 1.691 0.000 1 1 . . . . . 181 K HD2 . 25271 1 318 . 1 1 34 34 LYS HE2 H 1 2.855 0.000 1 1 . . . . . 181 K HE2 . 25271 1 319 . 1 1 34 34 LYS C C 13 175.115 0.000 1 1 . . . . . 181 K C . 25271 1 320 . 1 1 34 34 LYS CA C 13 54.535 0.030 4 1 . . . . . 181 K CA . 25271 1 321 . 1 1 34 34 LYS CB C 13 36.004 0.059 4 1 . . . . . 181 K CB . 25271 1 322 . 1 1 34 34 LYS CG C 13 24.603 0.000 1 1 . . . . . 181 K CG . 25271 1 323 . 1 1 34 34 LYS CD C 13 29.453 0.000 1 1 . . . . . 181 K CD . 25271 1 324 . 1 1 34 34 LYS CE C 13 42.202 0.000 1 1 . . . . . 181 K CE . 25271 1 325 . 1 1 34 34 LYS N N 15 118.917 0.010 8 1 . . . . . 181 K N . 25271 1 326 . 1 1 35 35 ALA H H 1 8.031 0.012 18 1 . . . . . 182 A H . 25271 1 327 . 1 1 35 35 ALA HA H 1 4.301 0.000 1 1 . . . . . 182 A HA . 25271 1 328 . 1 1 35 35 ALA HB1 H 1 0.611 0.001 2 1 . . . . . 182 A MB . 25271 1 329 . 1 1 35 35 ALA HB2 H 1 0.611 0.001 2 1 . . . . . 182 A MB . 25271 1 330 . 1 1 35 35 ALA HB3 H 1 0.611 0.001 2 1 . . . . . 182 A MB . 25271 1 331 . 1 1 35 35 ALA C C 13 175.937 0.000 1 1 . . . . . 182 A C . 25271 1 332 . 1 1 35 35 ALA CA C 13 51.849 0.124 4 1 . . . . . 182 A CA . 25271 1 333 . 1 1 35 35 ALA CB C 13 23.112 0.081 5 1 . . . . . 182 A CB . 25271 1 334 . 1 1 35 35 ALA N N 15 125.489 0.016 18 1 . . . . . 182 A N . 25271 1 335 . 1 1 36 36 SER H H 1 8.367 0.010 11 1 . . . . . 183 S H . 25271 1 336 . 1 1 36 36 SER HA H 1 5.093 0.000 1 1 . . . . . 183 S HA . 25271 1 337 . 1 1 36 36 SER HB2 H 1 3.653 0.000 1 1 . . . . . 183 S HB2 . 25271 1 338 . 1 1 36 36 SER HB3 H 1 3.521 0.000 1 1 . . . . . 183 S HB3 . 25271 1 339 . 1 1 36 36 SER C C 13 173.228 0.000 1 1 . . . . . 183 S C . 25271 1 340 . 1 1 36 36 SER CA C 13 56.421 0.063 4 1 . . . . . 183 S CA . 25271 1 341 . 1 1 36 36 SER CB C 13 65.429 0.047 4 1 . . . . . 183 S CB . 25271 1 342 . 1 1 36 36 SER N N 15 115.513 0.015 11 1 . . . . . 183 S N . 25271 1 343 . 1 1 37 37 ASP H H 1 9.621 0.010 11 1 . . . . . 184 D H . 25271 1 344 . 1 1 37 37 ASP HA H 1 3.781 0.000 1 1 . . . . . 184 D HA . 25271 1 345 . 1 1 37 37 ASP HB2 H 1 2.565 0.000 1 1 . . . . . 184 D HB2 . 25271 1 346 . 1 1 37 37 ASP HB3 H 1 2.565 0.000 1 1 . . . . . 184 D HB3 . 25271 1 347 . 1 1 37 37 ASP C C 13 173.762 0.000 1 1 . . . . . 184 D C . 25271 1 348 . 1 1 37 37 ASP CA C 13 56.181 0.039 3 1 . . . . . 184 D CA . 25271 1 349 . 1 1 37 37 ASP CB C 13 39.634 0.053 3 1 . . . . . 184 D CB . 25271 1 350 . 1 1 37 37 ASP N N 15 123.542 0.019 11 1 . . . . . 184 D N . 25271 1 351 . 1 1 38 38 PHE H H 1 9.135 0.012 10 1 . . . . . 185 F H . 25271 1 352 . 1 1 38 38 PHE HA H 1 4.401 0.000 1 1 . . . . . 185 F HA . 25271 1 353 . 1 1 38 38 PHE HB2 H 1 3.256 0.000 1 1 . . . . . 185 F HB2 . 25271 1 354 . 1 1 38 38 PHE HB3 H 1 2.647 0.000 1 1 . . . . . 185 F HB3 . 25271 1 355 . 1 1 38 38 PHE HD1 H 1 6.691 0.000 1 1 . . . . . 185 F HD . 25271 1 356 . 1 1 38 38 PHE HD2 H 1 6.691 0.000 1 1 . . . . . 185 F HD . 25271 1 357 . 1 1 38 38 PHE HE1 H 1 7.090 0.000 1 1 . . . . . 185 F HE . 25271 1 358 . 1 1 38 38 PHE HE2 H 1 7.090 0.000 1 1 . . . . . 185 F HE . 25271 1 359 . 1 1 38 38 PHE C C 13 174.397 0.000 1 1 . . . . . 185 F C . 25271 1 360 . 1 1 38 38 PHE CA C 13 57.909 0.074 4 1 . . . . . 185 F CA . 25271 1 361 . 1 1 38 38 PHE CB C 13 40.287 0.054 5 1 . . . . . 185 F CB . 25271 1 362 . 1 1 38 38 PHE N N 15 121.435 0.016 10 1 . . . . . 185 F N . 25271 1 363 . 1 1 39 39 VAL H H 1 7.867 0.012 10 1 . . . . . 186 V H . 25271 1 364 . 1 1 39 39 VAL HA H 1 4.469 0.000 1 1 . . . . . 186 V HA . 25271 1 365 . 1 1 39 39 VAL HB H 1 1.631 0.000 1 1 . . . . . 186 V HB . 25271 1 366 . 1 1 39 39 VAL HG11 H 1 0.787 0.000 2 1 . . . . . 186 V MG1 . 25271 1 367 . 1 1 39 39 VAL HG12 H 1 0.787 0.000 2 1 . . . . . 186 V MG1 . 25271 1 368 . 1 1 39 39 VAL HG13 H 1 0.787 0.000 2 1 . . . . . 186 V MG1 . 25271 1 369 . 1 1 39 39 VAL HG21 H 1 0.406 0.001 2 1 . . . . . 186 V MG2 . 25271 1 370 . 1 1 39 39 VAL HG22 H 1 0.406 0.001 2 1 . . . . . 186 V MG2 . 25271 1 371 . 1 1 39 39 VAL HG23 H 1 0.406 0.001 2 1 . . . . . 186 V MG2 . 25271 1 372 . 1 1 39 39 VAL C C 13 174.342 0.000 1 1 . . . . . 186 V C . 25271 1 373 . 1 1 39 39 VAL CA C 13 62.098 0.010 2 1 . . . . . 186 V CA . 25271 1 374 . 1 1 39 39 VAL CB C 13 31.400 0.110 5 1 . . . . . 186 V CB . 25271 1 375 . 1 1 39 39 VAL CG1 C 13 20.877 0.069 2 1 . . . . . 186 V CG1 . 25271 1 376 . 1 1 39 39 VAL CG2 C 13 20.635 0.000 1 1 . . . . . 186 V CG2 . 25271 1 377 . 1 1 39 39 VAL N N 15 129.323 0.013 10 1 . . . . . 186 V N . 25271 1 378 . 1 1 40 40 LEU H H 1 9.300 0.013 15 1 . . . . . 187 L H . 25271 1 379 . 1 1 40 40 LEU HA H 1 4.373 0.000 1 1 . . . . . 187 L HA . 25271 1 380 . 1 1 40 40 LEU HB2 H 1 1.924 0.000 1 1 . . . . . 187 L HB2 . 25271 1 381 . 1 1 40 40 LEU HB3 H 1 1.187 0.000 1 1 . . . . . 187 L HB3 . 25271 1 382 . 1 1 40 40 LEU HG H 1 1.299 0.000 1 1 . . . . . 187 L HG . 25271 1 383 . 1 1 40 40 LEU HD11 H 1 0.919 0.007 2 1 . . . . . 187 L MD1 . 25271 1 384 . 1 1 40 40 LEU HD12 H 1 0.919 0.007 2 1 . . . . . 187 L MD1 . 25271 1 385 . 1 1 40 40 LEU HD13 H 1 0.919 0.007 2 1 . . . . . 187 L MD1 . 25271 1 386 . 1 1 40 40 LEU HD21 H 1 0.938 0.008 2 1 . . . . . 187 L MD2 . 25271 1 387 . 1 1 40 40 LEU HD22 H 1 0.938 0.008 2 1 . . . . . 187 L MD2 . 25271 1 388 . 1 1 40 40 LEU HD23 H 1 0.938 0.008 2 1 . . . . . 187 L MD2 . 25271 1 389 . 1 1 40 40 LEU C C 13 173.707 0.000 1 1 . . . . . 187 L C . 25271 1 390 . 1 1 40 40 LEU CA C 13 53.070 0.018 2 1 . . . . . 187 L CA . 25271 1 391 . 1 1 40 40 LEU CB C 13 44.611 0.054 3 1 . . . . . 187 L CB . 25271 1 392 . 1 1 40 40 LEU CD1 C 13 25.979 0.048 2 1 . . . . . 187 L CD1 . 25271 1 393 . 1 1 40 40 LEU CD2 C 13 23.239 0.027 2 1 . . . . . 187 L CD2 . 25271 1 394 . 1 1 40 40 LEU N N 15 131.186 0.033 15 1 . . . . . 187 L N . 25271 1 395 . 1 1 41 41 ALA H H 1 8.539 0.012 13 1 . . . . . 188 A H . 25271 1 396 . 1 1 41 41 ALA HA H 1 4.259 0.000 1 1 . . . . . 188 A HA . 25271 1 397 . 1 1 41 41 ALA HB1 H 1 1.231 0.000 2 1 . . . . . 188 A MB . 25271 1 398 . 1 1 41 41 ALA HB2 H 1 1.231 0.000 2 1 . . . . . 188 A MB . 25271 1 399 . 1 1 41 41 ALA HB3 H 1 1.231 0.000 2 1 . . . . . 188 A MB . 25271 1 400 . 1 1 41 41 ALA C C 13 175.718 0.000 1 1 . . . . . 188 A C . 25271 1 401 . 1 1 41 41 ALA CA C 13 51.984 0.020 2 1 . . . . . 188 A CA . 25271 1 402 . 1 1 41 41 ALA CB C 13 16.902 0.061 5 1 . . . . . 188 A CB . 25271 1 403 . 1 1 41 41 ALA N N 15 132.383 0.031 13 1 . . . . . 188 A N . 25271 1 404 . 1 1 42 42 MET H H 1 8.568 0.012 10 1 . . . . . 189 M H . 25271 1 405 . 1 1 42 42 MET HA H 1 4.185 0.000 1 1 . . . . . 189 M HA . 25271 1 406 . 1 1 42 42 MET HB2 H 1 2.618 0.000 1 1 . . . . . 189 M HB2 . 25271 1 407 . 1 1 42 42 MET HB3 H 1 2.255 0.000 1 1 . . . . . 189 M HB3 . 25271 1 408 . 1 1 42 42 MET HG2 H 1 2.088 0.000 1 1 . . . . . 189 M HG2 . 25271 1 409 . 1 1 42 42 MET HE1 H 1 1.979 0.000 1 1 . . . . . 189 M ME . 25271 1 410 . 1 1 42 42 MET HE2 H 1 1.979 0.000 1 1 . . . . . 189 M ME . 25271 1 411 . 1 1 42 42 MET HE3 H 1 1.979 0.000 1 1 . . . . . 189 M ME . 25271 1 412 . 1 1 42 42 MET C C 13 177.644 0.000 1 1 . . . . . 189 M C . 25271 1 413 . 1 1 42 42 MET CA C 13 57.007 0.051 4 1 . . . . . 189 M CA . 25271 1 414 . 1 1 42 42 MET CB C 13 33.446 0.020 3 1 . . . . . 189 M CB . 25271 1 415 . 1 1 42 42 MET CG C 13 31.158 0.000 1 1 . . . . . 189 M CG . 25271 1 416 . 1 1 42 42 MET CE C 13 17.023 0.000 1 1 . . . . . 189 M CE . 25271 1 417 . 1 1 42 42 MET N N 15 125.193 0.023 10 1 . . . . . 189 M N . 25271 1 418 . 1 1 43 43 GLY H H 1 10.170 0.012 12 1 . . . . . 190 G H . 25271 1 419 . 1 1 43 43 GLY HA2 H 1 4.264 0.000 1 1 . . . . . 190 G HA2 . 25271 1 420 . 1 1 43 43 GLY HA3 H 1 3.895 0.000 1 1 . . . . . 190 G HA3 . 25271 1 421 . 1 1 43 43 GLY C C 13 173.837 1.990 2 1 . . . . . 190 G C . 25271 1 422 . 1 1 43 43 GLY CA C 13 46.467 0.058 4 1 . . . . . 190 G CA . 25271 1 423 . 1 1 43 43 GLY N N 15 109.858 0.014 12 1 . . . . . 190 G N . 25271 1 424 . 1 1 44 44 GLN H H 1 9.016 0.011 8 1 . . . . . 191 Q H . 25271 1 425 . 1 1 44 44 GLN HA H 1 4.604 0.000 1 1 . . . . . 191 Q HA . 25271 1 426 . 1 1 44 44 GLN HB2 H 1 2.467 0.000 1 1 . . . . . 191 Q HB2 . 25271 1 427 . 1 1 44 44 GLN HB3 H 1 1.819 0.000 1 1 . . . . . 191 Q HB3 . 25271 1 428 . 1 1 44 44 GLN HG2 H 1 2.270 0.000 1 1 . . . . . 191 Q HG2 . 25271 1 429 . 1 1 44 44 GLN HG3 H 1 2.241 0.000 1 1 . . . . . 191 Q HG3 . 25271 1 430 . 1 1 44 44 GLN HE21 H 1 7.562 0.000 1 1 . . . . . 191 Q HE21 . 25271 1 431 . 1 1 44 44 GLN HE22 H 1 6.910 0.000 2 1 . . . . . 191 Q HE22 . 25271 1 432 . 1 1 44 44 GLN C C 13 176.967 0.000 1 1 . . . . . 191 Q C . 25271 1 433 . 1 1 44 44 GLN CA C 13 54.276 0.042 4 1 . . . . . 191 Q CA . 25271 1 434 . 1 1 44 44 GLN CB C 13 29.484 0.092 3 1 . . . . . 191 Q CB . 25271 1 435 . 1 1 44 44 GLN CG C 13 33.354 0.000 1 1 . . . . . 191 Q CG . 25271 1 436 . 1 1 44 44 GLN N N 15 118.522 0.005 8 1 . . . . . 191 Q N . 25271 1 437 . 1 1 44 44 GLN NE2 N 15 113.215 0.005 3 1 . . . . . 191 Q NE2 . 25271 1 438 . 1 1 45 45 GLY H H 1 9.111 0.013 13 1 . . . . . 192 G H . 25271 1 439 . 1 1 45 45 GLY HA2 H 1 3.979 0.000 1 1 . . . . . 192 G HA2 . 25271 1 440 . 1 1 45 45 GLY C C 13 175.818 0.000 1 1 . . . . . 192 G C . 25271 1 441 . 1 1 45 45 GLY CA C 13 46.580 0.034 3 1 . . . . . 192 G CA . 25271 1 442 . 1 1 45 45 GLY N N 15 111.072 0.019 13 1 . . . . . 192 G N . 25271 1 443 . 1 1 46 46 ARG H H 1 8.308 0.005 4 1 . . . . . 193 R H . 25271 1 444 . 1 1 46 46 ARG HA H 1 4.137 0.000 1 1 . . . . . 193 R HA . 25271 1 445 . 1 1 46 46 ARG HB2 H 1 1.846 0.000 1 1 . . . . . 193 R HB2 . 25271 1 446 . 1 1 46 46 ARG HB3 H 1 1.695 0.000 1 1 . . . . . 193 R HB3 . 25271 1 447 . 1 1 46 46 ARG HG2 H 1 1.166 0.000 1 1 . . . . . 193 R HG2 . 25271 1 448 . 1 1 46 46 ARG C C 13 173.291 0.000 1 1 . . . . . 193 R C . 25271 1 449 . 1 1 46 46 ARG CA C 13 57.879 0.000 2 1 . . . . . 193 R CA . 25271 1 450 . 1 1 46 46 ARG CB C 13 30.849 0.000 2 1 . . . . . 193 R CB . 25271 1 451 . 1 1 46 46 ARG CG C 13 27.695 0.000 1 1 . . . . . 193 R CG . 25271 1 452 . 1 1 46 46 ARG N N 15 117.871 0.030 4 1 . . . . . 193 R N . 25271 1 453 . 1 1 47 47 MET H H 1 7.987 0.011 12 1 . . . . . 194 M H . 25271 1 454 . 1 1 47 47 MET HA H 1 4.864 0.000 1 1 . . . . . 194 M HA . 25271 1 455 . 1 1 47 47 MET HB2 H 1 2.321 0.000 1 1 . . . . . 194 M HB2 . 25271 1 456 . 1 1 47 47 MET HB3 H 1 1.951 0.000 1 1 . . . . . 194 M HB3 . 25271 1 457 . 1 1 47 47 MET HG2 H 1 1.950 0.000 1 1 . . . . . 194 M HG2 . 25271 1 458 . 1 1 47 47 MET HE1 H 1 1.070 0.430 2 1 . . . . . 194 M ME . 25271 1 459 . 1 1 47 47 MET HE2 H 1 1.070 0.430 2 1 . . . . . 194 M ME . 25271 1 460 . 1 1 47 47 MET HE3 H 1 1.070 0.430 2 1 . . . . . 194 M ME . 25271 1 461 . 1 1 47 47 MET C C 13 175.616 0.000 1 1 . . . . . 194 M C . 25271 1 462 . 1 1 47 47 MET CA C 13 51.938 0.077 4 1 . . . . . 194 M CA . 25271 1 463 . 1 1 47 47 MET CB C 13 34.498 0.036 3 1 . . . . . 194 M CB . 25271 1 464 . 1 1 47 47 MET CG C 13 32.110 0.000 1 1 . . . . . 194 M CG . 25271 1 465 . 1 1 47 47 MET CE C 13 16.014 0.000 1 1 . . . . . 194 M CE . 25271 1 466 . 1 1 47 47 MET N N 15 114.840 0.428 12 1 . . . . . 194 M N . 25271 1 467 . 1 1 48 48 ILE H H 1 7.604 0.012 14 1 . . . . . 195 I H . 25271 1 468 . 1 1 48 48 ILE HA H 1 4.420 0.000 1 1 . . . . . 195 I HA . 25271 1 469 . 1 1 48 48 ILE HB H 1 1.885 0.000 1 1 . . . . . 195 I HB . 25271 1 470 . 1 1 48 48 ILE HG12 H 1 1.274 0.000 1 1 . . . . . 195 I HG12 . 25271 1 471 . 1 1 48 48 ILE HG21 H 1 1.014 0.000 1 1 . . . . . 195 I MG . 25271 1 472 . 1 1 48 48 ILE HG22 H 1 1.014 0.000 1 1 . . . . . 195 I MG . 25271 1 473 . 1 1 48 48 ILE HG23 H 1 1.014 0.000 1 1 . . . . . 195 I MG . 25271 1 474 . 1 1 48 48 ILE HD11 H 1 0.288 0.000 1 1 . . . . . 195 I MD . 25271 1 475 . 1 1 48 48 ILE HD12 H 1 0.288 0.000 1 1 . . . . . 195 I MD . 25271 1 476 . 1 1 48 48 ILE HD13 H 1 0.288 0.000 1 1 . . . . . 195 I MD . 25271 1 477 . 1 1 48 48 ILE CA C 13 60.297 0.107 2 1 . . . . . 195 I CA . 25271 1 478 . 1 1 48 48 ILE CB C 13 37.250 0.097 3 1 . . . . . 195 I CB . 25271 1 479 . 1 1 48 48 ILE CG2 C 13 18.513 0.000 1 1 . . . . . 195 I CG2 . 25271 1 480 . 1 1 48 48 ILE CD1 C 13 13.723 0.002 2 1 . . . . . 195 I CD1 . 25271 1 481 . 1 1 48 48 ILE N N 15 115.703 0.021 14 1 . . . . . 195 I N . 25271 1 482 . 1 1 50 50 GLY HA2 H 1 4.351 0.000 1 1 . . . . . 197 G HA2 . 25271 1 483 . 1 1 50 50 GLY HA3 H 1 3.737 0.000 1 1 . . . . . 197 G HA3 . 25271 1 484 . 1 1 50 50 GLY C C 13 175.424 0.000 1 1 . . . . . 197 G C . 25271 1 485 . 1 1 50 50 GLY CA C 13 45.955 0.040 3 1 . . . . . 197 G CA . 25271 1 486 . 1 1 51 51 PHE H H 1 7.763 0.012 8 1 . . . . . 198 F H . 25271 1 487 . 1 1 51 51 PHE HD1 H 1 6.193 0.000 1 1 . . . . . 198 F HD . 25271 1 488 . 1 1 51 51 PHE HD2 H 1 6.193 0.000 1 1 . . . . . 198 F HD . 25271 1 489 . 1 1 51 51 PHE HE1 H 1 6.191 0.000 1 1 . . . . . 198 F HE . 25271 1 490 . 1 1 51 51 PHE HE2 H 1 6.191 0.000 1 1 . . . . . 198 F HE . 25271 1 491 . 1 1 51 51 PHE CA C 13 61.128 0.000 1 1 . . . . . 198 F CA . 25271 1 492 . 1 1 51 51 PHE CB C 13 40.706 0.043 3 1 . . . . . 198 F CB . 25271 1 493 . 1 1 51 51 PHE N N 15 122.790 0.019 8 1 . . . . . 198 F N . 25271 1 494 . 1 1 52 52 GLU C C 13 179.371 0.000 1 1 . . . . . 199 F C . 25271 1 495 . 1 1 52 52 GLU CA C 13 60.284 0.000 1 1 . . . . . 199 F CA . 25271 1 496 . 1 1 52 52 GLU CB C 13 29.165 0.000 1 1 . . . . . 199 F CB . 25271 1 497 . 1 1 53 53 ASP H H 1 8.332 0.005 3 1 . . . . . 200 D H . 25271 1 498 . 1 1 53 53 ASP HA H 1 4.196 0.000 1 1 . . . . . 200 D HA . 25271 1 499 . 1 1 53 53 ASP HB2 H 1 2.640 0.000 1 1 . . . . . 200 D HB2 . 25271 1 500 . 1 1 53 53 ASP HB3 H 1 2.507 0.000 1 1 . . . . . 200 D HB3 . 25271 1 501 . 1 1 53 53 ASP C C 13 177.912 0.000 1 1 . . . . . 200 D C . 25271 1 502 . 1 1 53 53 ASP CA C 13 57.327 0.011 2 1 . . . . . 200 D CA . 25271 1 503 . 1 1 53 53 ASP CB C 13 40.380 0.052 2 1 . . . . . 200 D CB . 25271 1 504 . 1 1 53 53 ASP N N 15 117.342 0.045 3 1 . . . . . 200 D N . 25271 1 505 . 1 1 54 54 GLY H H 1 7.385 0.013 8 1 . . . . . 201 G H . 25271 1 506 . 1 1 54 54 GLY HA2 H 1 4.114 0.000 1 1 . . . . . 201 G HA2 . 25271 1 507 . 1 1 54 54 GLY HA3 H 1 3.587 0.000 1 1 . . . . . 201 G HA3 . 25271 1 508 . 1 1 54 54 GLY C C 13 173.558 0.000 1 1 . . . . . 201 G C . 25271 1 509 . 1 1 54 54 GLY CA C 13 46.186 0.048 4 1 . . . . . 201 G CA . 25271 1 510 . 1 1 54 54 GLY N N 15 103.263 0.025 8 1 . . . . . 201 G N . 25271 1 511 . 1 1 55 55 ILE H H 1 7.315 0.012 8 1 . . . . . 202 I H . 25271 1 512 . 1 1 55 55 ILE HA H 1 3.855 0.000 1 1 . . . . . 202 I HA . 25271 1 513 . 1 1 55 55 ILE HB H 1 1.933 0.000 1 1 . . . . . 202 I HB . 25271 1 514 . 1 1 55 55 ILE HG21 H 1 1.140 0.000 1 1 . . . . . 202 I MG . 25271 1 515 . 1 1 55 55 ILE HG22 H 1 1.140 0.000 1 1 . . . . . 202 I MG . 25271 1 516 . 1 1 55 55 ILE HG23 H 1 1.140 0.000 1 1 . . . . . 202 I MG . 25271 1 517 . 1 1 55 55 ILE HD11 H 1 1.025 0.000 1 1 . . . . . 202 I MD . 25271 1 518 . 1 1 55 55 ILE HD12 H 1 1.025 0.000 1 1 . . . . . 202 I MD . 25271 1 519 . 1 1 55 55 ILE HD13 H 1 1.025 0.000 1 1 . . . . . 202 I MD . 25271 1 520 . 1 1 55 55 ILE C C 13 175.929 0.000 1 1 . . . . . 202 I C . 25271 1 521 . 1 1 55 55 ILE CA C 13 63.203 0.057 4 1 . . . . . 202 I CA . 25271 1 522 . 1 1 55 55 ILE CB C 13 38.741 0.020 4 1 . . . . . 202 I CB . 25271 1 523 . 1 1 55 55 ILE CG1 C 13 29.040 0.000 1 1 . . . . . 202 I CG1 . 25271 1 524 . 1 1 55 55 ILE CG2 C 13 18.862 0.000 1 1 . . . . . 202 I CG2 . 25271 1 525 . 1 1 55 55 ILE CD1 C 13 14.356 0.223 2 1 . . . . . 202 I CD1 . 25271 1 526 . 1 1 55 55 ILE N N 15 118.839 0.012 8 1 . . . . . 202 I N . 25271 1 527 . 1 1 56 56 LYS H H 1 6.976 0.015 15 1 . . . . . 203 K H . 25271 1 528 . 1 1 56 56 LYS HA H 1 3.556 0.000 1 1 . . . . . 203 K HA . 25271 1 529 . 1 1 56 56 LYS HB2 H 1 1.736 0.000 1 1 . . . . . 203 K HB2 . 25271 1 530 . 1 1 56 56 LYS HB3 H 1 1.727 0.000 1 1 . . . . . 203 K HB3 . 25271 1 531 . 1 1 56 56 LYS HG2 H 1 1.091 0.000 1 1 . . . . . 203 K HG2 . 25271 1 532 . 1 1 56 56 LYS HD2 H 1 1.592 0.000 1 1 . . . . . 203 K HD2 . 25271 1 533 . 1 1 56 56 LYS HD3 H 1 1.612 0.000 1 1 . . . . . 203 K HD3 . 25271 1 534 . 1 1 56 56 LYS C C 13 176.467 0.000 1 1 . . . . . 203 K C . 25271 1 535 . 1 1 56 56 LYS CA C 13 58.826 0.235 4 1 . . . . . 203 K CA . 25271 1 536 . 1 1 56 56 LYS CB C 13 32.481 0.071 4 1 . . . . . 203 K CB . 25271 1 537 . 1 1 56 56 LYS CG C 13 25.998 0.000 1 1 . . . . . 203 K CG . 25271 1 538 . 1 1 56 56 LYS CD C 13 29.762 0.000 1 1 . . . . . 203 K CD . 25271 1 539 . 1 1 56 56 LYS N N 15 117.467 0.044 15 1 . . . . . 203 K N . 25271 1 540 . 1 1 57 57 GLY H H 1 8.888 0.013 16 1 . . . . . 204 G H . 25271 1 541 . 1 1 57 57 GLY HA2 H 1 4.167 0.000 1 1 . . . . . 204 G HA2 . 25271 1 542 . 1 1 57 57 GLY HA3 H 1 3.469 0.000 1 1 . . . . . 204 G HA3 . 25271 1 543 . 1 1 57 57 GLY C C 13 174.225 0.000 1 1 . . . . . 204 G C . 25271 1 544 . 1 1 57 57 GLY CA C 13 45.256 0.036 4 1 . . . . . 204 G CA . 25271 1 545 . 1 1 57 57 GLY N N 15 109.257 0.022 16 1 . . . . . 204 G N . 25271 1 546 . 1 1 58 58 HIS H H 1 7.488 0.011 8 1 . . . . . 205 H H . 25271 1 547 . 1 1 58 58 HIS HA H 1 4.612 0.000 1 1 . . . . . 205 H HA . 25271 1 548 . 1 1 58 58 HIS HB2 H 1 2.835 0.000 1 1 . . . . . 205 H HB2 . 25271 1 549 . 1 1 58 58 HIS HD2 H 1 6.569 0.000 1 1 . . . . . 205 H HD2 . 25271 1 550 . 1 1 58 58 HIS C C 13 172.000 0.000 1 1 . . . . . 205 H C . 25271 1 551 . 1 1 58 58 HIS CA C 13 55.822 0.017 4 1 . . . . . 205 H CA . 25271 1 552 . 1 1 58 58 HIS CB C 13 30.439 0.062 5 1 . . . . . 205 H CB . 25271 1 553 . 1 1 58 58 HIS N N 15 117.817 0.010 8 1 . . . . . 205 H N . 25271 1 554 . 1 1 59 59 LYS H H 1 8.589 0.011 11 1 . . . . . 206 K H . 25271 1 555 . 1 1 59 59 LYS HA H 1 4.673 0.000 1 1 . . . . . 206 K HA . 25271 1 556 . 1 1 59 59 LYS HB2 H 1 1.770 0.000 1 1 . . . . . 206 K HB2 . 25271 1 557 . 1 1 59 59 LYS HB3 H 1 1.638 0.000 1 1 . . . . . 206 K HB3 . 25271 1 558 . 1 1 59 59 LYS HG2 H 1 1.304 0.000 1 1 . . . . . 206 K HG2 . 25271 1 559 . 1 1 59 59 LYS HG3 H 1 1.144 0.000 1 1 . . . . . 206 K HG3 . 25271 1 560 . 1 1 59 59 LYS HE2 H 1 2.938 0.000 1 1 . . . . . 206 K HE2 . 25271 1 561 . 1 1 59 59 LYS C C 13 174.819 0.000 1 1 . . . . . 206 K C . 25271 1 562 . 1 1 59 59 LYS CA C 13 54.782 0.108 4 1 . . . . . 206 K CA . 25271 1 563 . 1 1 59 59 LYS CB C 13 36.296 0.056 4 1 . . . . . 206 K CB . 25271 1 564 . 1 1 59 59 LYS CG C 13 24.766 0.000 1 1 . . . . . 206 K CG . 25271 1 565 . 1 1 59 59 LYS CD C 13 29.352 0.000 1 1 . . . . . 206 K CD . 25271 1 566 . 1 1 59 59 LYS N N 15 117.928 0.015 11 1 . . . . . 206 K N . 25271 1 567 . 1 1 60 60 ALA H H 1 8.729 0.013 17 1 . . . . . 207 A H . 25271 1 568 . 1 1 60 60 ALA HA H 1 3.855 0.000 1 1 . . . . . 207 A HA . 25271 1 569 . 1 1 60 60 ALA HB1 H 1 1.377 0.000 2 1 . . . . . 207 A MB . 25271 1 570 . 1 1 60 60 ALA HB2 H 1 1.377 0.000 2 1 . . . . . 207 A MB . 25271 1 571 . 1 1 60 60 ALA HB3 H 1 1.377 0.000 2 1 . . . . . 207 A MB . 25271 1 572 . 1 1 60 60 ALA C C 13 178.375 0.000 1 1 . . . . . 207 A C . 25271 1 573 . 1 1 60 60 ALA CA C 13 53.903 0.114 4 1 . . . . . 207 A CA . 25271 1 574 . 1 1 60 60 ALA CB C 13 18.052 0.082 5 1 . . . . . 207 A CB . 25271 1 575 . 1 1 60 60 ALA N N 15 121.035 0.019 17 1 . . . . . 207 A N . 25271 1 576 . 1 1 61 61 GLY H H 1 9.164 0.011 10 1 . . . . . 208 G H . 25271 1 577 . 1 1 61 61 GLY HA2 H 1 4.456 0.000 1 1 . . . . . 208 G HA2 . 25271 1 578 . 1 1 61 61 GLY HA3 H 1 3.819 0.000 1 1 . . . . . 208 G HA3 . 25271 1 579 . 1 1 61 61 GLY C C 13 174.874 0.000 1 1 . . . . . 208 G C . 25271 1 580 . 1 1 61 61 GLY CA C 13 44.802 0.060 4 1 . . . . . 208 G CA . 25271 1 581 . 1 1 61 61 GLY N N 15 110.662 0.009 10 1 . . . . . 208 G N . 25271 1 582 . 1 1 62 62 GLU H H 1 7.894 0.012 8 1 . . . . . 209 E H . 25271 1 583 . 1 1 62 62 GLU HA H 1 4.602 0.000 1 1 . . . . . 209 E HA . 25271 1 584 . 1 1 62 62 GLU HB2 H 1 2.578 0.000 1 1 . . . . . 209 E HB2 . 25271 1 585 . 1 1 62 62 GLU HG2 H 1 2.569 0.000 1 1 . . . . . 209 E HG2 . 25271 1 586 . 1 1 62 62 GLU HG3 H 1 2.330 0.000 1 1 . . . . . 209 E HG3 . 25271 1 587 . 1 1 62 62 GLU C C 13 174.653 0.000 1 1 . . . . . 209 E C . 25271 1 588 . 1 1 62 62 GLU CA C 13 57.334 0.067 4 1 . . . . . 209 E CA . 25271 1 589 . 1 1 62 62 GLU CB C 13 32.621 0.096 4 1 . . . . . 209 E CB . 25271 1 590 . 1 1 62 62 GLU CG C 13 38.283 0.000 1 1 . . . . . 209 E CG . 25271 1 591 . 1 1 62 62 GLU N N 15 119.763 0.015 8 1 . . . . . 209 E N . 25271 1 592 . 1 1 63 63 GLU H H 1 8.254 0.010 13 1 . . . . . 210 E H . 25271 1 593 . 1 1 63 63 GLU HA H 1 5.372 0.000 1 1 . . . . . 210 E HA . 25271 1 594 . 1 1 63 63 GLU HB2 H 1 1.977 0.000 1 1 . . . . . 210 E HB2 . 25271 1 595 . 1 1 63 63 GLU HB3 H 1 1.900 0.000 1 1 . . . . . 210 E HB3 . 25271 1 596 . 1 1 63 63 GLU HG2 H 1 2.145 0.000 1 1 . . . . . 210 E HG2 . 25271 1 597 . 1 1 63 63 GLU HG3 H 1 2.062 0.000 1 1 . . . . . 210 E HG3 . 25271 1 598 . 1 1 63 63 GLU C C 13 175.858 0.000 1 1 . . . . . 210 E C . 25271 1 599 . 1 1 63 63 GLU CA C 13 54.790 0.060 4 1 . . . . . 210 E CA . 25271 1 600 . 1 1 63 63 GLU CB C 13 32.559 0.035 2 1 . . . . . 210 E CB . 25271 1 601 . 1 1 63 63 GLU CG C 13 36.839 0.000 1 1 . . . . . 210 E CG . 25271 1 602 . 1 1 63 63 GLU N N 15 119.720 0.026 13 1 . . . . . 210 E N . 25271 1 603 . 1 1 64 64 PHE H H 1 8.252 0.011 14 1 . . . . . 211 F H . 25271 1 604 . 1 1 64 64 PHE HA H 1 4.979 0.000 1 1 . . . . . 211 F HA . 25271 1 605 . 1 1 64 64 PHE HB2 H 1 3.171 0.000 1 1 . . . . . 211 F HB2 . 25271 1 606 . 1 1 64 64 PHE HB3 H 1 2.942 0.000 1 1 . . . . . 211 F HB3 . 25271 1 607 . 1 1 64 64 PHE HD1 H 1 6.772 0.000 1 1 . . . . . 211 F HD . 25271 1 608 . 1 1 64 64 PHE HD2 H 1 6.772 0.000 1 1 . . . . . 211 F HD . 25271 1 609 . 1 1 64 64 PHE HE1 H 1 6.497 0.000 1 1 . . . . . 211 F HE . 25271 1 610 . 1 1 64 64 PHE HE2 H 1 6.497 0.000 1 1 . . . . . 211 F HE . 25271 1 611 . 1 1 64 64 PHE C C 13 172.67 58.437 2 1 . . . . . 211 F C . 25271 1 612 . 1 1 64 64 PHE CA C 13 55.912 0.024 3 1 . . . . . 211 F CA . 25271 1 613 . 1 1 64 64 PHE CB C 13 39.002 0.059 6 1 . . . . . 211 F CB . 25271 1 614 . 1 1 64 64 PHE N N 15 120.291 0.021 14 1 . . . . . 211 F N . 25271 1 615 . 1 1 65 65 THR H H 1 8.692 0.013 12 1 . . . . . 212 T H . 25271 1 616 . 1 1 65 65 THR HA H 1 5.524 0.000 1 1 . . . . . 212 T HA . 25271 1 617 . 1 1 65 65 THR HB H 1 3.932 0.000 1 1 . . . . . 212 T HB . 25271 1 618 . 1 1 65 65 THR HG21 H 1 1.092 0.000 1 1 . . . . . 212 T MG . 25271 1 619 . 1 1 65 65 THR HG22 H 1 1.092 0.000 1 1 . . . . . 212 T MG . 25271 1 620 . 1 1 65 65 THR HG23 H 1 1.092 0.000 1 1 . . . . . 212 T MG . 25271 1 621 . 1 1 65 65 THR C C 13 174.647 0.000 1 1 . . . . . 212 T C . 25271 1 622 . 1 1 65 65 THR CA C 13 60.798 0.081 4 1 . . . . . 212 T CA . 25271 1 623 . 1 1 65 65 THR CB C 13 71.147 0.025 4 1 . . . . . 212 T CB . 25271 1 624 . 1 1 65 65 THR CG2 C 13 21.886 0.006 2 1 . . . . . 212 T CG2 . 25271 1 625 . 1 1 65 65 THR N N 15 115.221 0.018 12 1 . . . . . 212 T N . 25271 1 626 . 1 1 66 66 ILE H H 1 8.952 0.011 13 1 . . . . . 213 I H . 25271 1 627 . 1 1 66 66 ILE HA H 1 4.820 0.000 1 1 . . . . . 213 I HA . 25271 1 628 . 1 1 66 66 ILE HB H 1 1.863 0.000 1 1 . . . . . 213 I HB . 25271 1 629 . 1 1 66 66 ILE HG12 H 1 1.344 0.000 1 1 . . . . . 213 I HG12 . 25271 1 630 . 1 1 66 66 ILE HG21 H 1 0.861 0.000 1 1 . . . . . 213 I HG2 . 25271 1 631 . 1 1 66 66 ILE HG22 H 1 0.861 0.000 1 1 . . . . . 213 I HG2 . 25271 1 632 . 1 1 66 66 ILE HG23 H 1 0.861 0.000 1 1 . . . . . 213 I HG2 . 25271 1 633 . 1 1 66 66 ILE HD11 H 1 0.202 0.000 1 1 . . . . . 213 I MD . 25271 1 634 . 1 1 66 66 ILE HD12 H 1 0.202 0.000 1 1 . . . . . 213 I MD . 25271 1 635 . 1 1 66 66 ILE HD13 H 1 0.202 0.000 1 1 . . . . . 213 I MD . 25271 1 636 . 1 1 66 66 ILE C C 13 173.529 0.000 1 1 . . . . . 213 I C . 25271 1 637 . 1 1 66 66 ILE CA C 13 59.503 0.052 4 1 . . . . . 213 I CA . 25271 1 638 . 1 1 66 66 ILE CB C 13 41.347 0.014 4 1 . . . . . 213 I CB . 25271 1 639 . 1 1 66 66 ILE CG1 C 13 26.367 0.000 1 1 . . . . . 213 I CG1 . 25271 1 640 . 1 1 66 66 ILE CG2 C 13 18.291 0.000 1 1 . . . . . 213 I CG2 . 25271 1 641 . 1 1 66 66 ILE CD1 C 13 14.500 0.003 2 1 . . . . . 213 I CD1 . 25271 1 642 . 1 1 66 66 ILE N N 15 119.559 0.009 13 1 . . . . . 213 I N . 25271 1 643 . 1 1 67 67 ASP H H 1 8.443 0.010 16 1 . . . . . 214 D H . 25271 1 644 . 1 1 67 67 ASP HA H 1 5.438 0.000 1 1 . . . . . 214 D HA . 25271 1 645 . 1 1 67 67 ASP HB2 H 1 2.634 0.000 1 1 . . . . . 214 D HB2 . 25271 1 646 . 1 1 67 67 ASP HB3 H 1 2.487 0.000 1 1 . . . . . 214 D HB3 . 25271 1 647 . 1 1 67 67 ASP C C 13 175.532 0.000 1 1 . . . . . 214 D C . 25271 1 648 . 1 1 67 67 ASP CA C 13 53.910 0.115 4 1 . . . . . 214 D CA . 25271 1 649 . 1 1 67 67 ASP CB C 13 43.047 0.059 4 1 . . . . . 214 D CB . 25271 1 650 . 1 1 67 67 ASP N N 15 123.122 0.038 16 1 . . . . . 214 D N . 25271 1 651 . 1 1 68 68 VAL H H 1 8.584 0.012 12 1 . . . . . 215 V H . 25271 1 652 . 1 1 68 68 VAL HA H 1 4.506 0.000 1 1 . . . . . 215 V HA . 25271 1 653 . 1 1 68 68 VAL HB H 1 1.874 0.000 1 1 . . . . . 215 V HB . 25271 1 654 . 1 1 68 68 VAL HG11 H 1 0.621 0.010 2 1 . . . . . 215 V MG1 . 25271 1 655 . 1 1 68 68 VAL HG12 H 1 0.621 0.010 2 1 . . . . . 215 V MG1 . 25271 1 656 . 1 1 68 68 VAL HG13 H 1 0.621 0.010 2 1 . . . . . 215 V MG1 . 25271 1 657 . 1 1 68 68 VAL HG21 H 1 0.605 0.015 2 1 . . . . . 215 V MG2 . 25271 1 658 . 1 1 68 68 VAL HG22 H 1 0.605 0.015 2 1 . . . . . 215 V MG2 . 25271 1 659 . 1 1 68 68 VAL HG23 H 1 0.605 0.015 2 1 . . . . . 215 V MG2 . 25271 1 660 . 1 1 68 68 VAL C C 13 173.830 0.000 1 1 . . . . . 215 V C . 25271 1 661 . 1 1 68 68 VAL CA C 13 59.859 0.036 4 1 . . . . . 215 V CA . 25271 1 662 . 1 1 68 68 VAL CB C 13 36.350 0.030 4 1 . . . . . 215 V CB . 25271 1 663 . 1 1 68 68 VAL CG1 C 13 21.297 0.486 2 1 . . . . . 215 V CG1 . 25271 1 664 . 1 1 68 68 VAL CG2 C 13 21.291 0.438 2 1 . . . . . 215 V CG2 . 25271 1 665 . 1 1 68 68 VAL N N 15 118.458 0.015 12 1 . . . . . 215 V N . 25271 1 666 . 1 1 69 69 THR H H 1 8.545 0.011 15 1 . . . . . 216 T H . 25271 1 667 . 1 1 69 69 THR HA H 1 4.929 0.000 1 1 . . . . . 216 T HA . 25271 1 668 . 1 1 69 69 THR HB H 1 3.777 0.000 1 1 . . . . . 216 T HB . 25271 1 669 . 1 1 69 69 THR HG1 H 1 4.935 0.000 1 1 . . . . . 216 T HG1 . 25271 1 670 . 1 1 69 69 THR HG21 H 1 0.992 0.000 1 1 . . . . . 216 T MG . 25271 1 671 . 1 1 69 69 THR HG22 H 1 0.992 0.000 1 1 . . . . . 216 T MG . 25271 1 672 . 1 1 69 69 THR HG23 H 1 0.992 0.000 1 1 . . . . . 216 T MG . 25271 1 673 . 1 1 69 69 THR C C 13 174.378 0.000 1 1 . . . . . 216 T C . 25271 1 674 . 1 1 69 69 THR CA C 13 61.310 0.031 4 1 . . . . . 216 T CA . 25271 1 675 . 1 1 69 69 THR CB C 13 70.263 0.012 4 1 . . . . . 216 T CB . 25271 1 676 . 1 1 69 69 THR CG2 C 13 21.348 0.000 1 1 . . . . . 216 T CG2 . 25271 1 677 . 1 1 69 69 THR N N 15 120.033 0.012 15 1 . . . . . 216 T N . 25271 1 678 . 1 1 70 70 PHE H H 1 8.890 0.012 14 1 . . . . . 217 F H . 25271 1 679 . 1 1 70 70 PHE HA H 1 4.091 0.000 1 1 . . . . . 217 F HA . 25271 1 680 . 1 1 70 70 PHE HB2 H 1 3.235 0.000 1 1 . . . . . 217 F HB2 . 25271 1 681 . 1 1 70 70 PHE HB3 H 1 2.214 0.000 1 1 . . . . . 217 F HB3 . 25271 1 682 . 1 1 70 70 PHE HD1 H 1 6.747 0.000 1 1 . . . . . 217 F HD . 25271 1 683 . 1 1 70 70 PHE HD2 H 1 6.747 0.000 1 1 . . . . . 217 F HD . 25271 1 684 . 1 1 70 70 PHE HE1 H 1 6.410 0.000 1 1 . . . . . 217 F HE . 25271 1 685 . 1 1 70 70 PHE HE2 H 1 6.410 0.000 1 1 . . . . . 217 F HE . 25271 1 686 . 1 1 70 70 PHE CA C 13 58.032 0.067 4 1 . . . . . 217 F CA . 25271 1 687 . 1 1 70 70 PHE CB C 13 39.266 0.074 5 1 . . . . . 217 F CB . 25271 1 688 . 1 1 70 70 PHE N N 15 127.396 0.044 14 1 . . . . . 217 F N . 25271 1 689 . 1 1 71 71 PRO HA H 1 4.511 0.000 1 1 . . . . . 218 P HA . 25271 1 690 . 1 1 71 71 PRO HB2 H 1 2.130 0.000 1 1 . . . . . 218 P HB2 . 25271 1 691 . 1 1 71 71 PRO HG2 H 1 2.288 0.000 1 1 . . . . . 218 P HG2 . 25271 1 692 . 1 1 71 71 PRO HD2 H 1 2.588 0.000 1 1 . . . . . 218 P HD2 . 25271 1 693 . 1 1 71 71 PRO C C 13 177.477 0.000 1 1 . . . . . 218 P C . 25271 1 694 . 1 1 71 71 PRO CA C 13 62.773 0.000 1 1 . . . . . 218 P CA . 25271 1 695 . 1 1 71 71 PRO CB C 13 32.674 0.000 1 1 . . . . . 218 P CB . 25271 1 696 . 1 1 71 71 PRO CG C 13 27.634 0.000 1 1 . . . . . 218 P CG . 25271 1 697 . 1 1 72 72 GLU H H 1 8.924 0.002 5 1 . . . . . 219 E H . 25271 1 698 . 1 1 72 72 GLU HA H 1 3.877 0.000 1 1 . . . . . 219 E HA . 25271 1 699 . 1 1 72 72 GLU HB2 H 1 2.034 0.000 1 1 . . . . . 219 E HB2 . 25271 1 700 . 1 1 72 72 GLU HG2 H 1 2.362 0.000 1 1 . . . . . 219 E HG2 . 25271 1 701 . 1 1 72 72 GLU C C 13 176.934 0.000 1 1 . . . . . 219 E C . 25271 1 702 . 1 1 72 72 GLU CA C 13 59.507 0.018 3 1 . . . . . 219 E CA . 25271 1 703 . 1 1 72 72 GLU CB C 13 29.622 0.000 3 1 . . . . . 219 E CB . 25271 1 704 . 1 1 72 72 GLU CG C 13 36.588 0.000 1 1 . . . . . 219 E CG . 25271 1 705 . 1 1 72 72 GLU N N 15 123.093 0.021 5 1 . . . . . 219 E N . 25271 1 706 . 1 1 73 73 GLU H H 1 8.184 0.010 13 1 . . . . . 220 E H . 25271 1 707 . 1 1 73 73 GLU HA H 1 4.496 0.000 1 1 . . . . . 220 E HA . 25271 1 708 . 1 1 73 73 GLU HB2 H 1 2.139 0.000 1 1 . . . . . 220 E HB2 . 25271 1 709 . 1 1 73 73 GLU HB3 H 1 1.936 0.000 1 1 . . . . . 220 E HB3 . 25271 1 710 . 1 1 73 73 GLU HG2 H 1 2.137 0.000 1 1 . . . . . 220 E HG2 . 25271 1 711 . 1 1 73 73 GLU HG3 H 1 2.244 0.000 1 1 . . . . . 220 E HG3 . 25271 1 712 . 1 1 73 73 GLU C C 13 175.325 0.000 1 1 . . . . . 220 E C . 25271 1 713 . 1 1 73 73 GLU CA C 13 55.489 0.062 4 1 . . . . . 220 E CA . 25271 1 714 . 1 1 73 73 GLU CB C 13 28.525 0.096 4 1 . . . . . 220 E CB . 25271 1 715 . 1 1 73 73 GLU CG C 13 36.106 0.000 1 1 . . . . . 220 E CG . 25271 1 716 . 1 1 73 73 GLU N N 15 114.629 0.017 13 1 . . . . . 220 E N . 25271 1 717 . 1 1 74 74 TYR H H 1 7.413 0.012 15 1 . . . . . 221 Y H . 25271 1 718 . 1 1 74 74 TYR HA H 1 4.418 0.000 1 1 . . . . . 221 Y HA . 25271 1 719 . 1 1 74 74 TYR HB2 H 1 3.384 0.000 1 1 . . . . . 221 Y HB2 . 25271 1 720 . 1 1 74 74 TYR HB3 H 1 2.350 0.000 1 1 . . . . . 221 Y HB3 . 25271 1 721 . 1 1 74 74 TYR HD1 H 1 7.289 0.000 1 1 . . . . . 221 Y HD . 25271 1 722 . 1 1 74 74 TYR HD2 H 1 7.289 0.000 1 1 . . . . . 221 Y HD . 25271 1 723 . 1 1 74 74 TYR HE1 H 1 7.151 0.000 1 1 . . . . . 221 Y HE . 25271 1 724 . 1 1 74 74 TYR HE2 H 1 7.151 0.000 1 1 . . . . . 221 Y HE . 25271 1 725 . 1 1 74 74 TYR C C 13 175.178 0.000 1 1 . . . . . 221 Y C . 25271 1 726 . 1 1 74 74 TYR CA C 13 59.352 0.029 4 1 . . . . . 221 Y CA . 25271 1 727 . 1 1 74 74 TYR CB C 13 40.352 0.082 6 1 . . . . . 221 Y CB . 25271 1 728 . 1 1 74 74 TYR N N 15 122.058 0.012 15 1 . . . . . 221 Y N . 25271 1 729 . 1 1 75 75 HIS H H 1 6.763 0.008 12 1 . . . . . 222 H H . 25271 1 730 . 1 1 75 75 HIS HA H 1 4.104 0.000 1 1 . . . . . 222 H HA . 25271 1 731 . 1 1 75 75 HIS HB2 H 1 3.001 0.000 1 1 . . . . . 222 H HB2 . 25271 1 732 . 1 1 75 75 HIS HB3 H 1 2.849 0.000 1 1 . . . . . 222 H HB3 . 25271 1 733 . 1 1 75 75 HIS HD1 H 1 6.631 0.000 1 1 . . . . . 222 H HD1 . 25271 1 734 . 1 1 75 75 HIS HE1 H 1 6.633 0.000 1 1 . . . . . 222 H HE1 . 25271 1 735 . 1 1 75 75 HIS C C 13 174.690 0.000 1 1 . . . . . 222 H C . 25271 1 736 . 1 1 75 75 HIS CA C 13 58.529 0.026 4 1 . . . . . 222 H CA . 25271 1 737 . 1 1 75 75 HIS CB C 13 30.009 0.056 6 1 . . . . . 222 H CB . 25271 1 738 . 1 1 75 75 HIS N N 15 120.614 0.011 12 1 . . . . . 222 H N . 25271 1 739 . 1 1 76 76 ALA H H 1 5.488 0.014 12 1 . . . . . 223 A H . 25271 1 740 . 1 1 76 76 ALA HA H 1 4.521 0.000 1 1 . . . . . 223 A HA . 25271 1 741 . 1 1 76 76 ALA HB1 H 1 1.125 0.000 2 1 . . . . . 223 A MB . 25271 1 742 . 1 1 76 76 ALA HB2 H 1 1.125 0.000 2 1 . . . . . 223 A MB . 25271 1 743 . 1 1 76 76 ALA HB3 H 1 1.125 0.000 2 1 . . . . . 223 A MB . 25271 1 744 . 1 1 76 76 ALA C C 13 177.148 0.000 1 1 . . . . . 223 A C . 25271 1 745 . 1 1 76 76 ALA CA C 13 50.845 0.100 4 1 . . . . . 223 A CA . 25271 1 746 . 1 1 76 76 ALA CB C 13 18.517 0.076 5 1 . . . . . 223 A CB . 25271 1 747 . 1 1 76 76 ALA N N 15 122.751 0.017 12 1 . . . . . 223 A N . 25271 1 748 . 1 1 77 77 GLU H H 1 8.919 0.010 11 1 . . . . . 224 E H . 25271 1 749 . 1 1 77 77 GLU HA H 1 3.755 0.000 1 1 . . . . . 224 E HA . 25271 1 750 . 1 1 77 77 GLU HB2 H 1 2.048 0.000 1 1 . . . . . 224 E HB2 . 25271 1 751 . 1 1 77 77 GLU HB3 H 1 2.051 0.000 1 1 . . . . . 224 E HB3 . 25271 1 752 . 1 1 77 77 GLU HG2 H 1 2.303 0.000 1 1 . . . . . 224 E HG2 . 25271 1 753 . 1 1 77 77 GLU HG3 H 1 2.308 0.000 1 1 . . . . . 224 E HG3 . 25271 1 754 . 1 1 77 77 GLU C C 13 177.091 0.085 2 1 . . . . . 224 E C . 25271 1 755 . 1 1 77 77 GLU CA C 13 59.783 0.063 4 1 . . . . . 224 E CA . 25271 1 756 . 1 1 77 77 GLU CB C 13 29.695 0.094 4 1 . . . . . 224 E CB . 25271 1 757 . 1 1 77 77 GLU CG C 13 35.925 0.000 1 1 . . . . . 224 E CG . 25271 1 758 . 1 1 77 77 GLU N N 15 126.908 0.034 11 1 . . . . . 224 E N . 25271 1 759 . 1 1 78 78 ASN H H 1 8.708 0.013 15 1 . . . . . 225 N H . 25271 1 760 . 1 1 78 78 ASN HA H 1 4.425 0.000 1 1 . . . . . 225 N HA . 25271 1 761 . 1 1 78 78 ASN HB2 H 1 2.746 0.000 1 1 . . . . . 225 N HB2 . 25271 1 762 . 1 1 78 78 ASN HB3 H 1 2.747 0.000 1 1 . . . . . 225 N HB3 . 25271 1 763 . 1 1 78 78 ASN HD21 H 1 7.639 0.000 1 1 . . . . . 225 N HD21 . 25271 1 764 . 1 1 78 78 ASN HD22 H 1 6.848 0.000 1 1 . . . . . 225 N HD22 . 25271 1 765 . 1 1 78 78 ASN C C 13 174.481 0.000 1 1 . . . . . 225 N C . 25271 1 766 . 1 1 78 78 ASN CA C 13 54.467 0.145 3 1 . . . . . 225 N CA . 25271 1 767 . 1 1 78 78 ASN CB C 13 36.929 0.051 4 1 . . . . . 225 N CB . 25271 1 768 . 1 1 78 78 ASN N N 15 112.797 0.021 15 1 . . . . . 225 N N . 25271 1 769 . 1 1 78 78 ASN ND2 N 15 113.124 0.003 2 1 . . . . . 225 N ND2 . 25271 1 770 . 1 1 79 79 LEU H H 1 7.076 0.012 11 1 . . . . . 226 L H . 25271 1 771 . 1 1 79 79 LEU HA H 1 4.048 0.000 1 1 . . . . . 226 L HA . 25271 1 772 . 1 1 79 79 LEU HB2 H 1 0.898 0.000 1 1 . . . . . 226 L HB2 . 25271 1 773 . 1 1 79 79 LEU HD11 H 1 -0.208 0.000 1 1 . . . . . 226 L MD1 . 25271 1 774 . 1 1 79 79 LEU HD12 H 1 -0.208 0.000 1 1 . . . . . 226 L MD1 . 25271 1 775 . 1 1 79 79 LEU HD13 H 1 -0.208 0.000 1 1 . . . . . 226 L MD1 . 25271 1 776 . 1 1 79 79 LEU HD21 H 1 0.123 0.010 2 1 . . . . . 226 L MD2 . 25271 1 777 . 1 1 79 79 LEU HD22 H 1 0.123 0.010 2 1 . . . . . 226 L MD2 . 25271 1 778 . 1 1 79 79 LEU HD23 H 1 0.123 0.010 2 1 . . . . . 226 L MD2 . 25271 1 779 . 1 1 79 79 LEU C C 13 174.505 0.000 1 1 . . . . . 226 L C . 25271 1 780 . 1 1 79 79 LEU CA C 13 54.177 0.076 5 1 . . . . . 226 L CA . 25271 1 781 . 1 1 79 79 LEU CB C 13 43.509 0.065 4 1 . . . . . 226 L CB . 25271 1 782 . 1 1 79 79 LEU CG C 13 25.130 0.000 1 1 . . . . . 226 L CG . 25271 1 783 . 1 1 79 79 LEU CD1 C 13 21.398 0.063 2 1 . . . . . 226 L CD1 . 25271 1 784 . 1 1 79 79 LEU CD2 C 13 25.094 0.000 1 1 . . . . . 226 L CD2 . 25271 1 785 . 1 1 79 79 LEU N N 15 117.294 0.010 11 1 . . . . . 226 L N . 25271 1 786 . 1 1 80 80 LYS H H 1 6.988 0.012 15 1 . . . . . 227 K H . 25271 1 787 . 1 1 80 80 LYS HA H 1 3.802 0.000 1 1 . . . . . 227 K HA . 25271 1 788 . 1 1 80 80 LYS HB2 H 1 1.843 0.000 1 1 . . . . . 227 K HB2 . 25271 1 789 . 1 1 80 80 LYS HB3 H 1 1.849 0.000 1 1 . . . . . 227 K HB3 . 25271 1 790 . 1 1 80 80 LYS HG2 H 1 1.509 0.000 1 1 . . . . . 227 K HG2 . 25271 1 791 . 1 1 80 80 LYS HG3 H 1 1.498 0.000 1 1 . . . . . 227 K HG3 . 25271 1 792 . 1 1 80 80 LYS C C 13 177.164 0.000 1 1 . . . . . 227 K C . 25271 1 793 . 1 1 80 80 LYS CA C 13 58.328 0.100 4 1 . . . . . 227 K CA . 25271 1 794 . 1 1 80 80 LYS CB C 13 32.626 0.077 4 1 . . . . . 227 K CB . 25271 1 795 . 1 1 80 80 LYS CG C 13 24.075 0.000 1 1 . . . . . 227 K CG . 25271 1 796 . 1 1 80 80 LYS CD C 13 30.016 0.000 1 1 . . . . . 227 K CD . 25271 1 797 . 1 1 80 80 LYS N N 15 117.322 0.034 15 1 . . . . . 227 K N . 25271 1 798 . 1 1 81 81 GLY H H 1 7.117 0.013 15 1 . . . . . 228 G H . 25271 1 799 . 1 1 81 81 GLY HA2 H 1 3.992 0.000 1 1 . . . . . 228 G HA2 . 25271 1 800 . 1 1 81 81 GLY HA3 H 1 3.696 0.000 1 1 . . . . . 228 G HA3 . 25271 1 801 . 1 1 81 81 GLY C C 13 173.992 0.000 1 1 . . . . . 228 G C . 25271 1 802 . 1 1 81 81 GLY CA C 13 46.212 0.052 4 1 . . . . . 228 G CA . 25271 1 803 . 1 1 81 81 GLY N N 15 111.171 0.016 15 1 . . . . . 228 G N . 25271 1 804 . 1 1 82 82 LYS H H 1 7.852 0.011 8 1 . . . . . 229 K H . 25271 1 805 . 1 1 82 82 LYS HA H 1 4.356 0.000 1 1 . . . . . 229 K HA . 25271 1 806 . 1 1 82 82 LYS HB2 H 1 1.879 0.000 1 1 . . . . . 229 K HB2 . 25271 1 807 . 1 1 82 82 LYS HG2 H 1 1.329 0.000 1 1 . . . . . 229 K HG2 . 25271 1 808 . 1 1 82 82 LYS HG3 H 1 1.145 0.000 1 1 . . . . . 229 K HG3 . 25271 1 809 . 1 1 82 82 LYS HD2 H 1 1.613 0.000 1 1 . . . . . 229 K HD2 . 25271 1 810 . 1 1 82 82 LYS C C 13 175.780 0.000 1 1 . . . . . 229 K C . 25271 1 811 . 1 1 82 82 LYS CA C 13 55.816 0.032 4 1 . . . . . 229 K CA . 25271 1 812 . 1 1 82 82 LYS CB C 13 33.196 0.064 4 1 . . . . . 229 K CB . 25271 1 813 . 1 1 82 82 LYS CG C 13 25.177 0.000 1 1 . . . . . 229 K CG . 25271 1 814 . 1 1 82 82 LYS CD C 13 28.855 0.000 1 1 . . . . . 229 K CD . 25271 1 815 . 1 1 82 82 LYS N N 15 119.255 0.010 8 1 . . . . . 229 K N . 25271 1 816 . 1 1 83 83 ALA H H 1 8.281 0.010 16 1 . . . . . 230 A H . 25271 1 817 . 1 1 83 83 ALA HA H 1 4.802 0.000 1 1 . . . . . 230 A HA . 25271 1 818 . 1 1 83 83 ALA HB1 H 1 1.399 0.000 2 1 . . . . . 230 A MB . 25271 1 819 . 1 1 83 83 ALA HB2 H 1 1.399 0.000 2 1 . . . . . 230 A MB . 25271 1 820 . 1 1 83 83 ALA HB3 H 1 1.399 0.000 2 1 . . . . . 230 A MB . 25271 1 821 . 1 1 83 83 ALA C C 13 176.464 0.000 1 1 . . . . . 230 A C . 25271 1 822 . 1 1 83 83 ALA CA C 13 52.076 0.036 4 1 . . . . . 230 A CA . 25271 1 823 . 1 1 83 83 ALA CB C 13 18.983 0.067 5 1 . . . . . 230 A CB . 25271 1 824 . 1 1 83 83 ALA N N 15 123.708 0.019 16 1 . . . . . 230 A N . 25271 1 825 . 1 1 84 84 ALA H H 1 9.250 0.011 11 1 . . . . . 231 A H . 25271 1 826 . 1 1 84 84 ALA HA H 1 5.195 0.000 1 1 . . . . . 231 A HA . 25271 1 827 . 1 1 84 84 ALA HB1 H 1 1.214 0.000 2 1 . . . . . 231 A MB . 25271 1 828 . 1 1 84 84 ALA HB2 H 1 1.214 0.000 2 1 . . . . . 231 A MB . 25271 1 829 . 1 1 84 84 ALA HB3 H 1 1.214 0.000 2 1 . . . . . 231 A MB . 25271 1 830 . 1 1 84 84 ALA C C 13 176.397 0.000 1 1 . . . . . 231 A C . 25271 1 831 . 1 1 84 84 ALA CA C 13 50.447 0.038 4 1 . . . . . 231 A CA . 25271 1 832 . 1 1 84 84 ALA CB C 13 24.290 0.069 5 1 . . . . . 231 A CB . 25271 1 833 . 1 1 84 84 ALA N N 15 126.491 0.014 11 1 . . . . . 231 A N . 25271 1 834 . 1 1 85 85 LYS H H 1 8.624 0.011 11 1 . . . . . 232 K H . 25271 1 835 . 1 1 85 85 LYS HB2 H 1 1.567 0.000 1 1 . . . . . 232 K HB2 . 25271 1 836 . 1 1 85 85 LYS HG2 H 1 1.413 0.000 1 1 . . . . . 232 K HG2 . 25271 1 837 . 1 1 85 85 LYS HD2 H 1 1.572 0.000 1 1 . . . . . 232 K HD2 . 25271 1 838 . 1 1 85 85 LYS C C 13 176.147 0.000 1 1 . . . . . 232 K C . 25271 1 839 . 1 1 85 85 LYS CA C 13 54.507 0.040 4 1 . . . . . 232 K CA . 25271 1 840 . 1 1 85 85 LYS CB C 13 36.034 0.060 4 1 . . . . . 232 K CB . 25271 1 841 . 1 1 85 85 LYS CG C 13 24.860 0.000 1 1 . . . . . 232 K CG . 25271 1 842 . 1 1 85 85 LYS CD C 13 29.255 0.000 1 1 . . . . . 232 K CD . 25271 1 843 . 1 1 85 85 LYS N N 15 120.563 0.008 11 1 . . . . . 232 K N . 25271 1 844 . 1 1 86 86 PHE H H 1 9.103 0.010 14 1 . . . . . 233 F H . 25271 1 845 . 1 1 86 86 PHE HA H 1 5.254 0.000 1 1 . . . . . 233 F HA . 25271 1 846 . 1 1 86 86 PHE HB2 H 1 2.632 0.000 1 1 . . . . . 233 F HB2 . 25271 1 847 . 1 1 86 86 PHE HB3 H 1 2.437 0.000 1 1 . . . . . 233 F HB3 . 25271 1 848 . 1 1 86 86 PHE HD1 H 1 7.187 0.000 1 1 . . . . . 233 F HD . 25271 1 849 . 1 1 86 86 PHE HD2 H 1 7.187 0.000 1 1 . . . . . 233 F HD . 25271 1 850 . 1 1 86 86 PHE HE1 H 1 6.963 0.000 1 1 . . . . . 233 F HE . 25271 1 851 . 1 1 86 86 PHE HE2 H 1 6.963 0.000 1 1 . . . . . 233 F HE . 25271 1 852 . 1 1 86 86 PHE C C 13 174.034 0.000 1 1 . . . . . 233 F C . 25271 1 853 . 1 1 86 86 PHE CA C 13 56.922 0.102 4 1 . . . . . 233 F CA . 25271 1 854 . 1 1 86 86 PHE CB C 13 42.441 0.085 6 1 . . . . . 233 F CB . 25271 1 855 . 1 1 86 86 PHE N N 15 119.236 0.020 14 1 . . . . . 233 F N . 25271 1 856 . 1 1 87 87 ALA H H 1 8.603 0.012 12 1 . . . . . 234 A H . 25271 1 857 . 1 1 87 87 ALA HA H 1 4.667 0.000 1 1 . . . . . 234 A HA . 25271 1 858 . 1 1 87 87 ALA HB1 H 1 1.339 0.000 2 1 . . . . . 234 A MB . 25271 1 859 . 1 1 87 87 ALA HB2 H 1 1.339 0.000 2 1 . . . . . 234 A MB . 25271 1 860 . 1 1 87 87 ALA HB3 H 1 1.339 0.000 2 1 . . . . . 234 A MB . 25271 1 861 . 1 1 87 87 ALA C C 13 176.717 0.000 1 1 . . . . . 234 A C . 25271 1 862 . 1 1 87 87 ALA CA C 13 51.925 0.011 4 1 . . . . . 234 A CA . 25271 1 863 . 1 1 87 87 ALA CB C 13 18.823 0.064 5 1 . . . . . 234 A CB . 25271 1 864 . 1 1 87 87 ALA N N 15 127.703 0.029 12 1 . . . . . 234 A N . 25271 1 865 . 1 1 88 88 ILE H H 1 9.097 0.009 11 1 . . . . . 235 I H . 25271 1 866 . 1 1 88 88 ILE HA H 1 4.725 0.000 1 1 . . . . . 235 I HA . 25271 1 867 . 1 1 88 88 ILE HB H 1 1.000 0.000 1 1 . . . . . 235 I HB . 25271 1 868 . 1 1 88 88 ILE HG13 H 1 0.875 0.000 1 1 . . . . . 235 I HG13 . 25271 1 869 . 1 1 88 88 ILE HG21 H 1 0.490 0.000 1 1 . . . . . 235 I MG . 25271 1 870 . 1 1 88 88 ILE HG22 H 1 0.490 0.000 1 1 . . . . . 235 I MG . 25271 1 871 . 1 1 88 88 ILE HG23 H 1 0.490 0.000 1 1 . . . . . 235 I MG . 25271 1 872 . 1 1 88 88 ILE HD11 H 1 0.272 0.000 1 1 . . . . . 235 I MD . 25271 1 873 . 1 1 88 88 ILE HD12 H 1 0.272 0.000 1 1 . . . . . 235 I MD . 25271 1 874 . 1 1 88 88 ILE HD13 H 1 0.272 0.000 1 1 . . . . . 235 I MD . 25271 1 875 . 1 1 88 88 ILE C C 13 174.882 0.385 2 1 . . . . . 235 I C . 25271 1 876 . 1 1 88 88 ILE CA C 13 58.978 0.083 4 1 . . . . . 235 I CA . 25271 1 877 . 1 1 88 88 ILE CB C 13 38.478 0.031 4 1 . . . . . 235 I CB . 25271 1 878 . 1 1 88 88 ILE CG1 C 13 27.375 0.000 1 1 . . . . . 235 I CG1 . 25271 1 879 . 1 1 88 88 ILE CG2 C 13 17.897 0.000 1 1 . . . . . 235 I CG2 . 25271 1 880 . 1 1 88 88 ILE CD1 C 13 12.470 0.043 2 1 . . . . . 235 I CD1 . 25271 1 881 . 1 1 88 88 ILE N N 15 126.159 0.024 11 1 . . . . . 235 I N . 25271 1 882 . 1 1 89 89 ASN H H 1 8.562 0.012 17 1 . . . . . 236 N H . 25271 1 883 . 1 1 89 89 ASN HA H 1 4.985 0.000 1 1 . . . . . 236 N HA . 25271 1 884 . 1 1 89 89 ASN HB2 H 1 2.840 0.000 1 1 . . . . . 236 N HB2 . 25271 1 885 . 1 1 89 89 ASN HB3 H 1 2.686 0.000 1 1 . . . . . 236 N HB3 . 25271 1 886 . 1 1 89 89 ASN HD21 H 1 7.490 0.000 1 1 . . . . . 236 N HD21 . 25271 1 887 . 1 1 89 89 ASN HD22 H 1 6.610 0.002 2 1 . . . . . 236 N HD22 . 25271 1 888 . 1 1 89 89 ASN C C 13 174.479 0.000 1 1 . . . . . 236 N C . 25271 1 889 . 1 1 89 89 ASN CA C 13 52.172 0.019 4 1 . . . . . 236 N CA . 25271 1 890 . 1 1 89 89 ASN CB C 13 40.193 0.018 4 1 . . . . . 236 N CB . 25271 1 891 . 1 1 89 89 ASN CG C 13 175.293 0.000 1 1 . . . . . 236 N CG . 25271 1 892 . 1 1 89 89 ASN N N 15 124.162 0.019 17 1 . . . . . 236 N N . 25271 1 893 . 1 1 89 89 ASN ND2 N 15 109.020 0.001 3 1 . . . . . 236 N ND2 . 25271 1 894 . 1 1 90 90 LEU H H 1 8.575 0.012 12 1 . . . . . 237 L H . 25271 1 895 . 1 1 90 90 LEU HA H 1 4.694 0.000 1 1 . . . . . 237 L HA . 25271 1 896 . 1 1 90 90 LEU HB2 H 1 1.268 0.000 1 1 . . . . . 237 L HB2 . 25271 1 897 . 1 1 90 90 LEU HD11 H 1 0.831 0.006 2 1 . . . . . 237 L MD1 . 25271 1 898 . 1 1 90 90 LEU HD12 H 1 0.831 0.006 2 1 . . . . . 237 L MD1 . 25271 1 899 . 1 1 90 90 LEU HD13 H 1 0.831 0.006 2 1 . . . . . 237 L MD1 . 25271 1 900 . 1 1 90 90 LEU HD21 H 1 0.922 0.000 1 1 . . . . . 237 L MD2 . 25271 1 901 . 1 1 90 90 LEU HD22 H 1 0.922 0.000 1 1 . . . . . 237 L MD2 . 25271 1 902 . 1 1 90 90 LEU HD23 H 1 0.922 0.000 1 1 . . . . . 237 L MD2 . 25271 1 903 . 1 1 90 90 LEU C C 13 174.259 0.000 1 1 . . . . . 237 L C . 25271 1 904 . 1 1 90 90 LEU CA C 13 54.632 0.071 4 1 . . . . . 237 L CA . 25271 1 905 . 1 1 90 90 LEU CB C 13 42.847 0.097 4 1 . . . . . 237 L CB . 25271 1 906 . 1 1 90 90 LEU CG C 13 27.026 0.000 1 1 . . . . . 237 L CG . 25271 1 907 . 1 1 90 90 LEU CD1 C 13 27.084 0.000 1 1 . . . . . 237 L CD1 . 25271 1 908 . 1 1 90 90 LEU CD2 C 13 25.002 0.016 2 1 . . . . . 237 L CD2 . 25271 1 909 . 1 1 90 90 LEU N N 15 127.351 0.023 12 1 . . . . . 237 L N . 25271 1 910 . 1 1 91 91 LYS H H 1 8.643 0.012 14 1 . . . . . 238 K H . 25271 1 911 . 1 1 91 91 LYS HA H 1 4.351 0.000 1 1 . . . . . 238 K HA . 25271 1 912 . 1 1 91 91 LYS HB2 H 1 1.828 0.000 1 1 . . . . . 238 K HB2 . 25271 1 913 . 1 1 91 91 LYS HG2 H 1 1.214 0.000 1 1 . . . . . 238 K HG2 . 25271 1 914 . 1 1 91 91 LYS HD2 H 1 1.443 0.000 1 1 . . . . . 238 K HD2 . 25271 1 915 . 1 1 91 91 LYS C C 13 176.881 0.000 1 1 . . . . . 238 K C . 25271 1 916 . 1 1 91 91 LYS CA C 13 58.364 0.030 4 1 . . . . . 238 K CA . 25271 1 917 . 1 1 91 91 LYS CB C 13 33.554 0.047 4 1 . . . . . 238 K CB . 25271 1 918 . 1 1 91 91 LYS CG C 13 25.284 0.000 1 1 . . . . . 238 K CG . 25271 1 919 . 1 1 91 91 LYS CD C 13 29.219 0.000 1 1 . . . . . 238 K CD . 25271 1 920 . 1 1 91 91 LYS N N 15 127.338 0.041 14 1 . . . . . 238 K N . 25271 1 921 . 1 1 92 92 LYS H H 1 7.590 0.010 14 1 . . . . . 239 K H . 25271 1 922 . 1 1 92 92 LYS HA H 1 4.461 0.000 1 1 . . . . . 239 K HA . 25271 1 923 . 1 1 92 92 LYS HB2 H 1 1.752 0.000 1 1 . . . . . 239 K HB2 . 25271 1 924 . 1 1 92 92 LYS HB3 H 1 1.580 0.000 1 1 . . . . . 239 K HB3 . 25271 1 925 . 1 1 92 92 LYS HG2 H 1 1.322 0.000 1 1 . . . . . 239 K HG2 . 25271 1 926 . 1 1 92 92 LYS HD2 H 1 1.510 0.000 1 1 . . . . . 239 K HD2 . 25271 1 927 . 1 1 92 92 LYS C C 13 173.005 0.000 1 1 . . . . . 239 K C . 25271 1 928 . 1 1 92 92 LYS CA C 13 56.707 0.046 5 1 . . . . . 239 K CA . 25271 1 929 . 1 1 92 92 LYS CB C 13 36.331 0.054 5 1 . . . . . 239 K CB . 25271 1 930 . 1 1 92 92 LYS CG C 13 25.199 0.000 1 1 . . . . . 239 K CG . 25271 1 931 . 1 1 92 92 LYS CD C 13 29.296 0.000 1 1 . . . . . 239 K CD . 25271 1 932 . 1 1 92 92 LYS N N 15 117.693 0.014 14 1 . . . . . 239 K N . 25271 1 933 . 1 1 93 93 VAL H H 1 9.120 0.012 18 1 . . . . . 240 V H . 25271 1 934 . 1 1 93 93 VAL HA H 1 4.597 0.000 1 1 . . . . . 240 V HA . 25271 1 935 . 1 1 93 93 VAL HB H 1 2.272 0.000 1 1 . . . . . 240 V HB . 25271 1 936 . 1 1 93 93 VAL HG11 H 1 1.030 0.008 2 1 . . . . . 240 V MG1 . 25271 1 937 . 1 1 93 93 VAL HG12 H 1 1.030 0.008 2 1 . . . . . 240 V MG1 . 25271 1 938 . 1 1 93 93 VAL HG13 H 1 1.030 0.008 2 1 . . . . . 240 V MG1 . 25271 1 939 . 1 1 93 93 VAL HG21 H 1 1.015 0.008 2 1 . . . . . 240 V MG2 . 25271 1 940 . 1 1 93 93 VAL HG22 H 1 1.015 0.008 2 1 . . . . . 240 V MG2 . 25271 1 941 . 1 1 93 93 VAL HG23 H 1 1.015 0.008 2 1 . . . . . 240 V MG2 . 25271 1 942 . 1 1 93 93 VAL C C 13 174.020 0.000 1 1 . . . . . 240 V C . 25271 1 943 . 1 1 93 93 VAL CA C 13 62.252 0.055 4 1 . . . . . 240 V CA . 25271 1 944 . 1 1 93 93 VAL CB C 13 34.560 0.049 4 1 . . . . . 240 V CB . 25271 1 945 . 1 1 93 93 VAL CG1 C 13 22.818 0.000 1 1 . . . . . 240 V CG1 . 25271 1 946 . 1 1 93 93 VAL CG2 C 13 22.934 0.033 2 1 . . . . . 240 V CG2 . 25271 1 947 . 1 1 93 93 VAL N N 15 126.174 0.032 18 1 . . . . . 240 V N . 25271 1 948 . 1 1 94 94 GLU H H 1 9.317 0.012 14 1 . . . . . 241 E H . 25271 1 949 . 1 1 94 94 GLU HA H 1 5.322 0.000 1 1 . . . . . 241 E HA . 25271 1 950 . 1 1 94 94 GLU HB2 H 1 1.885 0.000 1 1 . . . . . 241 E HB2 . 25271 1 951 . 1 1 94 94 GLU HB3 H 1 1.978 0.000 1 1 . . . . . 241 E HB3 . 25271 1 952 . 1 1 94 94 GLU HG2 H 1 2.262 0.000 1 1 . . . . . 241 E HG2 . 25271 1 953 . 1 1 94 94 GLU C C 13 174.100 0.000 1 1 . . . . . 241 E C . 25271 1 954 . 1 1 94 94 GLU CA C 13 54.272 0.039 4 1 . . . . . 241 E CA . 25271 1 955 . 1 1 94 94 GLU CB C 13 36.97 0.078 4 1 . . . . . 241 E CB . 25271 1 956 . 1 1 94 94 GLU N N 15 124.925 0.017 14 1 . . . . . 241 E N . 25271 1 957 . 1 1 95 95 GLU H H 1 9.478 0.012 15 1 . . . . . 242 E H . 25271 1 958 . 1 1 95 95 GLU HA H 1 5.490 0.000 1 1 . . . . . 242 E HA . 25271 1 959 . 1 1 95 95 GLU HB2 H 1 2.086 0.000 1 1 . . . . . 242 E HB2 . 25271 1 960 . 1 1 95 95 GLU C C 13 174.954 0.000 1 1 . . . . . 242 E C . 25271 1 961 . 1 1 95 95 GLU CA C 13 52.942 0.047 4 1 . . . . . 242 E CA . 25271 1 962 . 1 1 95 95 GLU CB C 13 34.167 0.122 3 1 . . . . . 242 E CB . 25271 1 963 . 1 1 95 95 GLU CG C 13 34.809 0.000 1 1 . . . . . 242 E CG . 25271 1 964 . 1 1 95 95 GLU N N 15 117.427 0.018 15 1 . . . . . 242 E N . 25271 1 965 . 1 1 96 96 ARG H H 1 8.449 0.010 11 1 . . . . . 243 R H . 25271 1 966 . 1 1 96 96 ARG HA H 1 3.736 0.000 1 1 . . . . . 243 R HA . 25271 1 967 . 1 1 96 96 ARG HB2 H 1 1.156 0.000 1 1 . . . . . 243 R HB2 . 25271 1 968 . 1 1 96 96 ARG HB3 H 1 1.024 0.000 1 1 . . . . . 243 R HB3 . 25271 1 969 . 1 1 96 96 ARG HG2 H 1 0.754 0.000 1 1 . . . . . 243 R HG2 . 25271 1 970 . 1 1 96 96 ARG HG3 H 1 0.582 0.000 1 1 . . . . . 243 R HG3 . 25271 1 971 . 1 1 96 96 ARG HD2 H 1 2.594 0.000 1 1 . . . . . 243 R HD2 . 25271 1 972 . 1 1 96 96 ARG C C 13 176.558 0.000 1 1 . . . . . 243 R C . 25271 1 973 . 1 1 96 96 ARG CA C 13 56.104 0.063 3 1 . . . . . 243 R CA . 25271 1 974 . 1 1 96 96 ARG CB C 13 30.372 0.094 2 1 . . . . . 243 R CB . 25271 1 975 . 1 1 96 96 ARG N N 15 123.466 0.031 11 1 . . . . . 243 R N . 25271 1 976 . 1 1 97 97 GLU H H 1 8.213 0.009 10 1 . . . . . 244 E H . 25271 1 977 . 1 1 97 97 GLU HA H 1 4.208 0.000 1 1 . . . . . 244 E HA . 25271 1 978 . 1 1 97 97 GLU HB2 H 1 1.815 0.000 1 1 . . . . . 244 E HB2 . 25271 1 979 . 1 1 97 97 GLU HB3 H 1 1.621 0.000 1 1 . . . . . 244 E HB3 . 25271 1 980 . 1 1 97 97 GLU HG2 H 1 2.072 0.000 1 1 . . . . . 244 E HG2 . 25271 1 981 . 1 1 97 97 GLU HG3 H 1 1.959 0.000 1 1 . . . . . 244 E HG3 . 25271 1 982 . 1 1 97 97 GLU C C 13 175.388 0.000 1 1 . . . . . 244 E C . 25271 1 983 . 1 1 97 97 GLU CA C 13 56.256 0.021 2 1 . . . . . 244 E CA . 25271 1 984 . 1 1 97 97 GLU CB C 13 30.840 0.074 3 1 . . . . . 244 E CB . 25271 1 985 . 1 1 97 97 GLU N N 15 124.216 0.015 10 1 . . . . . 244 E N . 25271 1 986 . 1 1 98 98 LEU H H 1 8.363 0.012 13 1 . . . . . 245 L H . 25271 1 987 . 1 1 98 98 LEU HD11 H 1 0.811 0.000 1 1 . . . . . 245 L MD1 . 25271 1 988 . 1 1 98 98 LEU HD12 H 1 0.811 0.000 1 1 . . . . . 245 L MD1 . 25271 1 989 . 1 1 98 98 LEU HD13 H 1 0.811 0.000 1 1 . . . . . 245 L MD1 . 25271 1 990 . 1 1 98 98 LEU HD21 H 1 0.867 0.000 1 1 . . . . . 245 L MD2 . 25271 1 991 . 1 1 98 98 LEU HD22 H 1 0.867 0.000 1 1 . . . . . 245 L MD2 . 25271 1 992 . 1 1 98 98 LEU HD23 H 1 0.867 0.000 1 1 . . . . . 245 L MD2 . 25271 1 993 . 1 1 98 98 LEU CA C 13 52.657 0.000 1 1 . . . . . 245 L CA . 25271 1 994 . 1 1 98 98 LEU CB C 13 41.628 0.000 1 1 . . . . . 245 L CB . 25271 1 995 . 1 1 98 98 LEU CD1 C 13 23.216 0.000 1 1 . . . . . 245 L CD1 . 25271 1 996 . 1 1 98 98 LEU CD2 C 13 25.195 0.000 1 1 . . . . . 245 L CD2 . 25271 1 997 . 1 1 98 98 LEU N N 15 127.125 0.030 13 1 . . . . . 245 L N . 25271 1 stop_ save_