data_25059 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25059 _Entry.Title ; Backbone assignment for cold shock domain 1 of Drosophila Upstream of N-ras ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-07-01 _Entry.Accession_date 2014-07-01 _Entry.Last_release_date 2014-11-07 _Entry.Original_release_date 2014-11-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Iren Wang . . . 25059 2 Janosch Hennig . . . 25059 3 Michael Sattler . . . 25059 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25059 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 425 25059 '13C chemical shifts' 270 25059 '15N chemical shifts' 72 25059 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 . . 2014-11-07 2014-07-01 original author . 25059 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25060 dCDS1-RNA 25059 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25059 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25209665 _Citation.Full_citation . _Citation.Title 'Structural basis for the assembly of the Sxl-Unr translation regulatory complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Nature _Citation.Journal_name_full . _Citation.Journal_volume 515 _Citation.Journal_issue 7526 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 287 _Citation.Page_last 290 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Janosch Hennig . . . 25059 1 2 Cristina Militti . . . 25059 1 3 Grzegorz Popowicz . . . 25059 1 4 Iren Wang . . . 25059 1 5 Miriam Sonntag . . . 25059 1 6 Arie Geerlof . . . 25059 1 7 Frank Gabel . . . 25059 1 8 Fatima Gebauer . . . 25059 1 9 Michael Sattler . . . 25059 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25059 _Assembly.ID 1 _Assembly.Name dCSD1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'cold shock domain 1 of drosophila UNR' 1 $dCSD1 A . yes native no no . . . 25059 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dCSD1 _Entity.Sf_category entity _Entity.Sf_framecode dCSD1 _Entity.Entry_ID 25059 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dCSD1 _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 ; GAMATRETGIIEKLLHSYGF IQCCERQARLFFHFSQFSGN IDHLKIGDPVEFEMTYDRRT GKPIASQVSKIA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq G,181 _Entity.Polymer_author_seq_details 'Residues 1-4 represent a residual non-native tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes GB AAF50415.2 . "upstream of N-ras, isoform A" . . . . . . . . . . . . . . 25059 1 2 no BMRB 25060 . cold_shock_domain_1_of_upstream_of_N-ras . . . . . 100.00 72 100.00 100.00 1.92e-45 . . . . 25059 1 3 no BMRB 25078 . UNR . . . . . 100.00 72 100.00 100.00 1.92e-45 . . . . 25059 1 4 no PDB 4QQB . "Structural Basis For The Assembly Of The Sxl-unr Translation Regulatory Complex" . . . . . 100.00 72 100.00 100.00 1.92e-45 . . . . 25059 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 1 181 GLY . 25059 1 2 182 ALA . 25059 1 3 183 MET . 25059 1 4 184 ALA . 25059 1 5 185 THR . 25059 1 6 186 ARG . 25059 1 7 187 GLU . 25059 1 8 188 THR . 25059 1 9 189 GLY . 25059 1 10 190 ILE . 25059 1 11 191 ILE . 25059 1 12 192 GLU . 25059 1 13 193 LYS . 25059 1 14 194 LEU . 25059 1 15 195 LEU . 25059 1 16 196 HIS . 25059 1 17 197 SER . 25059 1 18 198 TYR . 25059 1 19 199 GLY . 25059 1 20 200 PHE . 25059 1 21 201 ILE . 25059 1 22 202 GLN . 25059 1 23 203 CYS . 25059 1 24 204 CYS . 25059 1 25 205 GLU . 25059 1 26 206 ARG . 25059 1 27 207 GLN . 25059 1 28 208 ALA . 25059 1 29 209 ARG . 25059 1 30 210 LEU . 25059 1 31 211 PHE . 25059 1 32 212 PHE . 25059 1 33 213 HIS . 25059 1 34 214 PHE . 25059 1 35 215 SER . 25059 1 36 216 GLN . 25059 1 37 217 PHE . 25059 1 38 218 SER . 25059 1 39 219 GLY . 25059 1 40 220 ASN . 25059 1 41 221 ILE . 25059 1 42 222 ASP . 25059 1 43 223 HIS . 25059 1 44 224 LEU . 25059 1 45 225 LYS . 25059 1 46 226 ILE . 25059 1 47 227 GLY . 25059 1 48 228 ASP . 25059 1 49 229 PRO . 25059 1 50 230 VAL . 25059 1 51 231 GLU . 25059 1 52 232 PHE . 25059 1 53 233 GLU . 25059 1 54 234 MET . 25059 1 55 235 THR . 25059 1 56 236 TYR . 25059 1 57 237 ASP . 25059 1 58 238 ARG . 25059 1 59 239 ARG . 25059 1 60 240 THR . 25059 1 61 241 GLY . 25059 1 62 242 LYS . 25059 1 63 243 PRO . 25059 1 64 244 ILE . 25059 1 65 245 ALA . 25059 1 66 246 SER . 25059 1 67 247 GLN . 25059 1 68 248 VAL . 25059 1 69 249 SER . 25059 1 70 250 LYS . 25059 1 71 251 ILE . 25059 1 72 252 ALA . 25059 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25059 1 . ALA 2 2 25059 1 . MET 3 3 25059 1 . ALA 4 4 25059 1 . THR 5 5 25059 1 . ARG 6 6 25059 1 . GLU 7 7 25059 1 . THR 8 8 25059 1 . GLY 9 9 25059 1 . ILE 10 10 25059 1 . ILE 11 11 25059 1 . GLU 12 12 25059 1 . LYS 13 13 25059 1 . LEU 14 14 25059 1 . LEU 15 15 25059 1 . HIS 16 16 25059 1 . SER 17 17 25059 1 . TYR 18 18 25059 1 . GLY 19 19 25059 1 . PHE 20 20 25059 1 . ILE 21 21 25059 1 . GLN 22 22 25059 1 . CYS 23 23 25059 1 . CYS 24 24 25059 1 . GLU 25 25 25059 1 . ARG 26 26 25059 1 . GLN 27 27 25059 1 . ALA 28 28 25059 1 . ARG 29 29 25059 1 . LEU 30 30 25059 1 . PHE 31 31 25059 1 . PHE 32 32 25059 1 . HIS 33 33 25059 1 . PHE 34 34 25059 1 . SER 35 35 25059 1 . GLN 36 36 25059 1 . PHE 37 37 25059 1 . SER 38 38 25059 1 . GLY 39 39 25059 1 . ASN 40 40 25059 1 . ILE 41 41 25059 1 . ASP 42 42 25059 1 . HIS 43 43 25059 1 . LEU 44 44 25059 1 . LYS 45 45 25059 1 . ILE 46 46 25059 1 . GLY 47 47 25059 1 . ASP 48 48 25059 1 . PRO 49 49 25059 1 . VAL 50 50 25059 1 . GLU 51 51 25059 1 . PHE 52 52 25059 1 . GLU 53 53 25059 1 . MET 54 54 25059 1 . THR 55 55 25059 1 . TYR 56 56 25059 1 . ASP 57 57 25059 1 . ARG 58 58 25059 1 . ARG 59 59 25059 1 . THR 60 60 25059 1 . GLY 61 61 25059 1 . LYS 62 62 25059 1 . PRO 63 63 25059 1 . ILE 64 64 25059 1 . ALA 65 65 25059 1 . SER 66 66 25059 1 . GLN 67 67 25059 1 . VAL 68 68 25059 1 . SER 69 69 25059 1 . LYS 70 70 25059 1 . ILE 71 71 25059 1 . ALA 72 72 25059 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 25059 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $dCSD1 . 7227 organism . 'Drosophila melanogaster' 'Fruit Fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 25059 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 25059 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $dCSD1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pETtrx-1a . . . . . . 25059 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25059 _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 CSD1 '[U-99% 13C; U-99% 15N]' . . 1 $dCSD1 . . . 0.1 0.8 mM . . . . 25059 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 25059 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25059 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 25059 1 5 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 25059 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25059 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 25059 _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 temperature 298 . K 25059 1 pH 6 . pH 25059 1 pressure 1 . atm 25059 1 'ionic strength' 0.05 . M 25059 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25059 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25059 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25059 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25059 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25059 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25059 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25059 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25059 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25059 3 'peak picking' 25059 3 stop_ save_ save_PINE _Software.Sf_category software _Software.Sf_framecode PINE _Software.Entry_ID 25059 _Software.ID 4 _Software.Name PINE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 25059 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25059 4 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 25059 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25059 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25059 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 25059 1 2 spectrometer_2 Bruker Avance . 600 . . . 25059 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 25059 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25059 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25059 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25059 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25059 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25059 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25059 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25059 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 25059 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25059 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25059 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25059 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 25059 _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' . . . 25059 1 2 '3D HNCO' . . . 25059 1 3 '3D HNCACB' . . . 25059 1 4 '3D HNCA' . . . 25059 1 5 '3D CBCA(CO)NH' . . . 25059 1 6 '3D HCCH-TOCSY' . . . 25059 1 7 '2D 1H-13C HSQC' . . . 25059 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.849 0.015 1 1 . . . . 181 G QA . 25059 1 2 . 1 1 1 1 GLY HA3 H 1 3.849 0.015 1 1 . . . . 181 G QA . 25059 1 3 . 1 1 1 1 GLY CA C 13 43.051 0.150 1 1 . . . . 181 G CA . 25059 1 4 . 1 1 2 2 ALA HA H 1 4.367 0.015 1 1 . . . . 182 A HA . 25059 1 5 . 1 1 2 2 ALA HB1 H 1 1.409 0.015 1 1 . . . . 182 A HB1 . 25059 1 6 . 1 1 2 2 ALA HB2 H 1 1.409 0.015 1 1 . . . . 182 A HB2 . 25059 1 7 . 1 1 2 2 ALA HB3 H 1 1.409 0.015 1 1 . . . . 182 A HB3 . 25059 1 8 . 1 1 2 2 ALA C C 13 177.740 0.150 1 1 . . . . 182 A CO . 25059 1 9 . 1 1 2 2 ALA CA C 13 52.574 0.094 3 1 . . . . 182 A CA . 25059 1 10 . 1 1 2 2 ALA CB C 13 19.385 0.157 2 1 . . . . 182 A CB . 25059 1 11 . 1 1 3 3 MET H H 1 8.493 0.006 6 1 . . . . 183 M H . 25059 1 12 . 1 1 3 3 MET HG2 H 1 2.571 0.015 1 2 . . . . 183 M HG2 . 25059 1 13 . 1 1 3 3 MET HG3 H 1 2.632 0.015 1 2 . . . . 183 M HG3 . 25059 1 14 . 1 1 3 3 MET CA C 13 55.273 0.023 2 1 . . . . 183 M CA . 25059 1 15 . 1 1 3 3 MET CB C 13 32.998 0.150 1 1 . . . . 183 M CB . 25059 1 16 . 1 1 3 3 MET CG C 13 32.045 0.001 2 1 . . . . 183 M CG . 25059 1 17 . 1 1 3 3 MET N N 15 119.844 0.026 6 1 . . . . 183 M N . 25059 1 18 . 1 1 4 4 ALA H H 1 8.403 0.002 5 1 . . . . 184 A H . 25059 1 19 . 1 1 4 4 ALA HA H 1 4.441 0.015 1 1 . . . . 184 A HA . 25059 1 20 . 1 1 4 4 ALA HB1 H 1 1.394 0.015 1 1 . . . . 184 A MB . 25059 1 21 . 1 1 4 4 ALA HB2 H 1 1.394 0.015 1 1 . . . . 184 A MB . 25059 1 22 . 1 1 4 4 ALA HB3 H 1 1.394 0.015 1 1 . . . . 184 A MB . 25059 1 23 . 1 1 4 4 ALA CA C 13 52.382 0.082 4 1 . . . . 184 A CA . 25059 1 24 . 1 1 4 4 ALA CB C 13 19.767 0.118 2 1 . . . . 184 A CB . 25059 1 25 . 1 1 4 4 ALA N N 15 125.847 0.035 5 1 . . . . 184 A N . 25059 1 26 . 1 1 5 5 THR H H 1 8.336 0.002 8 1 . . . . 185 T H . 25059 1 27 . 1 1 5 5 THR HA H 1 4.323 0.015 2 1 . . . . 185 T HA . 25059 1 28 . 1 1 5 5 THR HB H 1 4.199 0.002 2 1 . . . . 185 T HB . 25059 1 29 . 1 1 5 5 THR HG21 H 1 1.208 0.003 2 1 . . . . 185 T HG21 . 25059 1 30 . 1 1 5 5 THR HG22 H 1 1.208 0.003 2 1 . . . . 185 T HG22 . 25059 1 31 . 1 1 5 5 THR HG23 H 1 1.208 0.003 2 1 . . . . 185 T HG23 . 25059 1 32 . 1 1 5 5 THR C C 13 174.102 0.150 1 1 . . . . 185 T CO . 25059 1 33 . 1 1 5 5 THR CA C 13 61.962 0.066 6 1 . . . . 185 T CA . 25059 1 34 . 1 1 5 5 THR CB C 13 69.855 0.159 3 1 . . . . 185 T CB . 25059 1 35 . 1 1 5 5 THR CG2 C 13 21.828 0.048 2 1 . . . . 185 T CG2 . 25059 1 36 . 1 1 5 5 THR N N 15 114.958 0.044 8 1 . . . . 185 T N . 25059 1 37 . 1 1 6 6 ARG H H 1 8.216 0.003 8 1 . . . . 186 R H . 25059 1 38 . 1 1 6 6 ARG HB2 H 1 1.636 0.015 1 1 . . . . 186 R QB . 25059 1 39 . 1 1 6 6 ARG HB3 H 1 1.636 0.015 1 1 . . . . 186 R QB . 25059 1 40 . 1 1 6 6 ARG HG2 H 1 1.575 0.004 2 1 . . . . 186 R QG . 25059 1 41 . 1 1 6 6 ARG HG3 H 1 1.575 0.004 2 1 . . . . 186 R QG . 25059 1 42 . 1 1 6 6 ARG HD2 H 1 3.064 0.015 1 2 . . . . 186 R HD2 . 25059 1 43 . 1 1 6 6 ARG HD3 H 1 3.206 0.015 1 2 . . . . 186 R HD3 . 25059 1 44 . 1 1 6 6 ARG C C 13 175.480 0.150 1 1 . . . . 186 R CO . 25059 1 45 . 1 1 6 6 ARG CA C 13 55.398 0.034 3 1 . . . . 186 R CA . 25059 1 46 . 1 1 6 6 ARG CB C 13 30.892 0.044 3 1 . . . . 186 R CB . 25059 1 47 . 1 1 6 6 ARG CG C 13 27.369 0.017 2 1 . . . . 186 R CG . 25059 1 48 . 1 1 6 6 ARG CD C 13 42.614 0.001 2 1 . . . . 186 R CD . 25059 1 49 . 1 1 6 6 ARG N N 15 124.273 0.055 8 1 . . . . 186 R N . 25059 1 50 . 1 1 7 7 GLU H H 1 8.530 0.002 8 1 . . . . 187 E H . 25059 1 51 . 1 1 7 7 GLU HA H 1 4.662 0.015 1 1 . . . . 187 E HA . 25059 1 52 . 1 1 7 7 GLU HB2 H 1 1.410 0.008 2 2 . . . . 187 E HB2 . 25059 1 53 . 1 1 7 7 GLU HG3 H 1 1.862 0.010 2 2 . . . . 187 E HG3 . 25059 1 54 . 1 1 7 7 GLU C C 13 173.690 0.150 1 1 . . . . 187 E CO . 25059 1 55 . 1 1 7 7 GLU CA C 13 54.399 0.078 5 1 . . . . 187 E CA . 25059 1 56 . 1 1 7 7 GLU CB C 13 33.609 0.058 4 1 . . . . 187 E CB . 25059 1 57 . 1 1 7 7 GLU CG C 13 36.114 0.013 2 1 . . . . 187 E CG . 25059 1 58 . 1 1 7 7 GLU N N 15 121.938 0.032 8 1 . . . . 187 E N . 25059 1 59 . 1 1 8 8 THR H H 1 8.207 0.005 9 1 . . . . 188 T H . 25059 1 60 . 1 1 8 8 THR HA H 1 5.505 0.006 2 1 . . . . 188 T HA . 25059 1 61 . 1 1 8 8 THR HB H 1 4.371 0.001 2 1 . . . . 188 T HB . 25059 1 62 . 1 1 8 8 THR HG21 H 1 1.212 0.005 2 1 . . . . 188 T HG21 . 25059 1 63 . 1 1 8 8 THR HG22 H 1 1.212 0.005 2 1 . . . . 188 T HG22 . 25059 1 64 . 1 1 8 8 THR HG23 H 1 1.212 0.005 2 1 . . . . 188 T HG23 . 25059 1 65 . 1 1 8 8 THR C C 13 176.486 0.150 1 1 . . . . 188 T CO . 25059 1 66 . 1 1 8 8 THR CA C 13 60.343 0.093 6 1 . . . . 188 T CA . 25059 1 67 . 1 1 8 8 THR CB C 13 72.916 0.083 4 1 . . . . 188 T CB . 25059 1 68 . 1 1 8 8 THR CG2 C 13 22.245 0.066 2 1 . . . . 188 T CG2 . 25059 1 69 . 1 1 8 8 THR N N 15 106.722 0.028 9 1 . . . . 188 T N . 25059 1 70 . 1 1 9 9 GLY H H 1 9.218 0.001 8 1 . . . . 189 G H . 25059 1 71 . 1 1 9 9 GLY HA2 H 1 3.934 0.005 2 2 . . . . 189 G HA2 . 25059 1 72 . 1 1 9 9 GLY HA3 H 1 5.302 0.001 2 2 . . . . 189 G HA3 . 25059 1 73 . 1 1 9 9 GLY C C 13 171.419 0.150 1 1 . . . . 189 G CO . 25059 1 74 . 1 1 9 9 GLY CA C 13 46.503 0.074 8 1 . . . . 189 G CA . 25059 1 75 . 1 1 9 9 GLY N N 15 109.475 0.031 8 1 . . . . 189 G N . 25059 1 76 . 1 1 10 10 ILE H H 1 8.810 0.003 8 1 . . . . 190 I H . 25059 1 77 . 1 1 10 10 ILE HA H 1 5.205 0.005 2 1 . . . . 190 I HA . 25059 1 78 . 1 1 10 10 ILE HB H 1 1.660 0.015 1 1 . . . . 190 I HB . 25059 1 79 . 1 1 10 10 ILE HG12 H 1 1.165 0.015 1 1 . . . . 190 I HG12 . 25059 1 80 . 1 1 10 10 ILE HG13 H 1 1.430 0.015 1 1 . . . . 190 I HG13 . 25059 1 81 . 1 1 10 10 ILE HG21 H 1 0.836 0.004 2 1 . . . . 190 I HG21 . 25059 1 82 . 1 1 10 10 ILE HG22 H 1 0.836 0.004 2 1 . . . . 190 I HG22 . 25059 1 83 . 1 1 10 10 ILE HG23 H 1 0.836 0.004 2 1 . . . . 190 I HG23 . 25059 1 84 . 1 1 10 10 ILE HD11 H 1 0.816 0.005 2 1 . . . . 190 I HD11 . 25059 1 85 . 1 1 10 10 ILE HD12 H 1 0.816 0.005 2 1 . . . . 190 I HD12 . 25059 1 86 . 1 1 10 10 ILE HD13 H 1 0.816 0.005 2 1 . . . . 190 I HD13 . 25059 1 87 . 1 1 10 10 ILE C C 13 176.612 0.150 1 1 . . . . 190 I CO . 25059 1 88 . 1 1 10 10 ILE CA C 13 58.428 0.058 6 1 . . . . 190 I CA . 25059 1 89 . 1 1 10 10 ILE CB C 13 41.917 0.033 3 1 . . . . 190 I CB . 25059 1 90 . 1 1 10 10 ILE CG1 C 13 26.677 0.002 2 1 . . . . 190 I CG1 . 25059 1 91 . 1 1 10 10 ILE CG2 C 13 17.806 0.047 2 1 . . . . 190 I CG2 . 25059 1 92 . 1 1 10 10 ILE CD1 C 13 12.325 0.048 2 1 . . . . 190 I CD1 . 25059 1 93 . 1 1 10 10 ILE N N 15 118.373 0.036 8 1 . . . . 190 I N . 25059 1 94 . 1 1 11 11 ILE H H 1 8.642 0.002 9 1 . . . . 191 I H . 25059 1 95 . 1 1 11 11 ILE HA H 1 4.000 0.003 2 1 . . . . 191 I HA . 25059 1 96 . 1 1 11 11 ILE HB H 1 2.486 0.006 2 1 . . . . 191 I HB . 25059 1 97 . 1 1 11 11 ILE HG12 H 1 1.256 0.015 1 1 . . . . 191 I HG12 . 25059 1 98 . 1 1 11 11 ILE HG13 H 1 1.919 0.015 1 1 . . . . 191 I HG13 . 25059 1 99 . 1 1 11 11 ILE HG21 H 1 0.797 0.004 2 1 . . . . 191 I HG21 . 25059 1 100 . 1 1 11 11 ILE HG22 H 1 0.797 0.004 2 1 . . . . 191 I HG22 . 25059 1 101 . 1 1 11 11 ILE HG23 H 1 0.797 0.004 2 1 . . . . 191 I HG23 . 25059 1 102 . 1 1 11 11 ILE HD11 H 1 0.534 0.003 2 1 . . . . 191 I HD11 . 25059 1 103 . 1 1 11 11 ILE HD12 H 1 0.534 0.003 2 1 . . . . 191 I HD12 . 25059 1 104 . 1 1 11 11 ILE HD13 H 1 0.534 0.003 2 1 . . . . 191 I HD13 . 25059 1 105 . 1 1 11 11 ILE C C 13 175.947 0.150 1 1 . . . . 191 I CO . 25059 1 106 . 1 1 11 11 ILE CA C 13 60.422 0.078 6 1 . . . . 191 I CA . 25059 1 107 . 1 1 11 11 ILE CB C 13 35.090 0.003 4 1 . . . . 191 I CB . 25059 1 108 . 1 1 11 11 ILE CG1 C 13 25.557 0.039 2 1 . . . . 191 I CG1 . 25059 1 109 . 1 1 11 11 ILE CG2 C 13 18.455 0.049 2 1 . . . . 191 I CG2 . 25059 1 110 . 1 1 11 11 ILE CD1 C 13 10.484 0.036 2 1 . . . . 191 I CD1 . 25059 1 111 . 1 1 11 11 ILE N N 15 123.872 0.034 9 1 . . . . 191 I N . 25059 1 112 . 1 1 12 12 GLU H H 1 9.412 0.003 9 1 . . . . 192 E H . 25059 1 113 . 1 1 12 12 GLU HA H 1 4.530 0.015 1 1 . . . . 192 E HA . 25059 1 114 . 1 1 12 12 GLU HB2 H 1 2.026 0.001 2 1 . . . . 192 E QB . 25059 1 115 . 1 1 12 12 GLU HB3 H 1 2.026 0.001 2 1 . . . . 192 E QB . 25059 1 116 . 1 1 12 12 GLU HG2 H 1 2.153 0.015 1 2 . . . . 192 E HG2 . 25059 1 117 . 1 1 12 12 GLU HG3 H 1 2.392 0.002 2 2 . . . . 192 E HG3 . 25059 1 118 . 1 1 12 12 GLU C C 13 175.146 0.150 1 1 . . . . 192 E CO . 25059 1 119 . 1 1 12 12 GLU CA C 13 57.259 0.076 5 1 . . . . 192 E CA . 25059 1 120 . 1 1 12 12 GLU CB C 13 32.699 0.107 4 1 . . . . 192 E CB . 25059 1 121 . 1 1 12 12 GLU CG C 13 36.314 0.021 3 1 . . . . 192 E CG . 25059 1 122 . 1 1 12 12 GLU N N 15 132.589 0.037 9 1 . . . . 192 E N . 25059 1 123 . 1 1 13 13 LYS H H 1 7.688 0.001 9 1 . . . . 193 K H . 25059 1 124 . 1 1 13 13 LYS HA H 1 4.503 0.015 1 1 . . . . 193 K HA . 25059 1 125 . 1 1 13 13 LYS HB2 H 1 1.824 0.015 2 2 . . . . 193 K HB2 . 25059 1 126 . 1 1 13 13 LYS HB3 H 1 1.921 0.003 2 2 . . . . 193 K HB3 . 25059 1 127 . 1 1 13 13 LYS HG2 H 1 1.454 0.015 1 2 . . . . 193 K HG2 . 25059 1 128 . 1 1 13 13 LYS HG3 H 1 1.520 0.015 1 2 . . . . 193 K HG3 . 25059 1 129 . 1 1 13 13 LYS HD2 H 1 1.672 0.015 1 2 . . . . 193 K HD2 . 25059 1 130 . 1 1 13 13 LYS HD3 H 1 1.760 0.015 1 2 . . . . 193 K HD3 . 25059 1 131 . 1 1 13 13 LYS HE2 H 1 2.943 0.015 1 1 . . . . 193 K QE . 25059 1 132 . 1 1 13 13 LYS HE3 H 1 2.943 0.015 1 1 . . . . 193 K QE . 25059 1 133 . 1 1 13 13 LYS C C 13 174.032 0.150 1 1 . . . . 193 K CO . 25059 1 134 . 1 1 13 13 LYS CA C 13 55.929 0.059 5 1 . . . . 193 K CA . 25059 1 135 . 1 1 13 13 LYS CB C 13 37.710 0.065 7 1 . . . . 193 K CB . 25059 1 136 . 1 1 13 13 LYS CG C 13 25.117 0.150 2 1 . . . . 193 K CG . 25059 1 137 . 1 1 13 13 LYS CD C 13 29.031 0.001 2 1 . . . . 193 K CD . 25059 1 138 . 1 1 13 13 LYS CE C 13 41.763 0.150 1 1 . . . . 193 K CE . 25059 1 139 . 1 1 13 13 LYS N N 15 115.816 0.043 9 1 . . . . 193 K N . 25059 1 140 . 1 1 14 14 LEU H H 1 8.504 0.005 10 1 . . . . 194 L H . 25059 1 141 . 1 1 14 14 LEU HA H 1 4.590 0.015 1 1 . . . . 194 L HA . 25059 1 142 . 1 1 14 14 LEU HB2 H 1 1.542 0.006 2 2 . . . . 194 L HB2 . 25059 1 143 . 1 1 14 14 LEU HB3 H 1 1.810 0.002 2 2 . . . . 194 L HB3 . 25059 1 144 . 1 1 14 14 LEU HD11 H 1 0.721 0.005 2 1 . . . . 194 L MD1 . 25059 1 145 . 1 1 14 14 LEU HD12 H 1 0.721 0.005 2 1 . . . . 194 L MD1 . 25059 1 146 . 1 1 14 14 LEU HD13 H 1 0.721 0.005 2 1 . . . . 194 L MD1 . 25059 1 147 . 1 1 14 14 LEU HD21 H 1 0.951 0.005 2 1 . . . . 194 L MD2 . 25059 1 148 . 1 1 14 14 LEU HD22 H 1 0.951 0.005 2 1 . . . . 194 L MD2 . 25059 1 149 . 1 1 14 14 LEU HD23 H 1 0.951 0.005 2 1 . . . . 194 L MD2 . 25059 1 150 . 1 1 14 14 LEU C C 13 174.605 0.150 1 1 . . . . 194 L CO . 25059 1 151 . 1 1 14 14 LEU CA C 13 55.221 0.145 5 1 . . . . 194 L CA . 25059 1 152 . 1 1 14 14 LEU CB C 13 44.420 0.102 7 1 . . . . 194 L CB . 25059 1 153 . 1 1 14 14 LEU CD1 C 13 25.621 0.045 2 1 . . . . 194 L CD1 . 25059 1 154 . 1 1 14 14 LEU CD2 C 13 24.679 0.046 2 1 . . . . 194 L CD2 . 25059 1 155 . 1 1 14 14 LEU N N 15 123.719 0.038 10 1 . . . . 194 L N . 25059 1 156 . 1 1 15 15 LEU H H 1 8.476 0.003 10 1 . . . . 195 L H . 25059 1 157 . 1 1 15 15 LEU HA H 1 4.571 0.015 1 1 . . . . 195 L HA . 25059 1 158 . 1 1 15 15 LEU HB2 H 1 0.503 0.015 2 2 . . . . 195 L HB2 . 25059 1 159 . 1 1 15 15 LEU HB3 H 1 1.403 0.020 2 2 . . . . 195 L HB3 . 25059 1 160 . 1 1 15 15 LEU HG H 1 1.504 0.005 2 1 . . . . 195 L HG . 25059 1 161 . 1 1 15 15 LEU HD11 H 1 0.845 0.003 2 1 . . . . 195 L MD1 . 25059 1 162 . 1 1 15 15 LEU HD12 H 1 0.845 0.003 2 1 . . . . 195 L MD1 . 25059 1 163 . 1 1 15 15 LEU HD13 H 1 0.845 0.003 2 1 . . . . 195 L MD1 . 25059 1 164 . 1 1 15 15 LEU HD21 H 1 0.859 0.006 2 1 . . . . 195 L MD2 . 25059 1 165 . 1 1 15 15 LEU HD22 H 1 0.859 0.006 2 1 . . . . 195 L MD2 . 25059 1 166 . 1 1 15 15 LEU HD23 H 1 0.859 0.006 2 1 . . . . 195 L MD2 . 25059 1 167 . 1 1 15 15 LEU C C 13 175.618 0.150 1 1 . . . . 195 L CO . 25059 1 168 . 1 1 15 15 LEU CA C 13 53.441 0.074 4 1 . . . . 195 L CA . 25059 1 169 . 1 1 15 15 LEU CB C 13 38.756 0.061 6 1 . . . . 195 L CB . 25059 1 170 . 1 1 15 15 LEU CG C 13 28.224 0.035 2 1 . . . . 195 L CG . 25059 1 171 . 1 1 15 15 LEU CD1 C 13 24.727 0.009 2 1 . . . . 195 L CD1 . 25059 1 172 . 1 1 15 15 LEU CD2 C 13 24.517 0.068 2 1 . . . . 195 L CD2 . 25059 1 173 . 1 1 15 15 LEU N N 15 127.444 0.038 10 1 . . . . 195 L N . 25059 1 174 . 1 1 16 16 HIS H H 1 7.773 0.023 8 1 . . . . 196 H H . 25059 1 175 . 1 1 16 16 HIS HB2 H 1 3.208 0.015 1 1 . . . . 196 H QB . 25059 1 176 . 1 1 16 16 HIS HB3 H 1 3.208 0.015 1 1 . . . . 196 H QB . 25059 1 177 . 1 1 16 16 HIS CA C 13 58.858 0.003 2 1 . . . . 196 H CA . 25059 1 178 . 1 1 16 16 HIS CB C 13 28.773 0.150 2 1 . . . . 196 H CB . 25059 1 179 . 1 1 16 16 HIS N N 15 116.985 0.047 8 1 . . . . 196 H N . 25059 1 180 . 1 1 17 17 SER HA H 1 3.947 0.004 2 1 . . . . 197 S HA . 25059 1 181 . 1 1 17 17 SER HB2 H 1 3.648 0.011 2 2 . . . . 197 S HB2 . 25059 1 182 . 1 1 17 17 SER HB3 H 1 3.936 0.008 2 2 . . . . 197 S HB3 . 25059 1 183 . 1 1 17 17 SER C C 13 171.307 0.150 1 1 . . . . 197 S CO . 25059 1 184 . 1 1 17 17 SER CA C 13 57.932 0.167 2 1 . . . . 197 S CA . 25059 1 185 . 1 1 17 17 SER CB C 13 64.381 0.091 4 1 . . . . 197 S CB . 25059 1 186 . 1 1 18 18 TYR H H 1 5.889 0.009 5 1 . . . . 198 Y H . 25059 1 187 . 1 1 18 18 TYR HA H 1 3.665 0.002 2 1 . . . . 198 Y HA . 25059 1 188 . 1 1 18 18 TYR HB2 H 1 2.015 0.015 1 2 . . . . 198 Y HB2 . 25059 1 189 . 1 1 18 18 TYR HB3 H 1 2.373 0.001 2 2 . . . . 198 Y HB3 . 25059 1 190 . 1 1 18 18 TYR C C 13 171.186 0.150 1 1 . . . . 198 Y CO . 25059 1 191 . 1 1 18 18 TYR CA C 13 55.152 0.058 5 1 . . . . 198 Y CA . 25059 1 192 . 1 1 18 18 TYR CB C 13 39.779 0.062 4 1 . . . . 198 Y CB . 25059 1 193 . 1 1 18 18 TYR N N 15 116.222 0.103 5 1 . . . . 198 Y N . 25059 1 194 . 1 1 19 19 GLY H H 1 7.702 0.005 7 1 . . . . 199 G H . 25059 1 195 . 1 1 19 19 GLY HA2 H 1 3.623 0.004 2 2 . . . . 199 G HA2 . 25059 1 196 . 1 1 19 19 GLY HA3 H 1 3.844 0.001 2 2 . . . . 199 G HA3 . 25059 1 197 . 1 1 19 19 GLY C C 13 169.603 0.150 1 1 . . . . 199 G CO . 25059 1 198 . 1 1 19 19 GLY CA C 13 44.959 0.084 7 1 . . . . 199 G CA . 25059 1 199 . 1 1 19 19 GLY N N 15 105.321 0.022 7 1 . . . . 199 G N . 25059 1 200 . 1 1 20 20 PHE H H 1 8.597 0.001 7 1 . . . . 200 F H . 25059 1 201 . 1 1 20 20 PHE HA H 1 5.766 0.002 2 1 . . . . 200 F HA . 25059 1 202 . 1 1 20 20 PHE HB2 H 1 2.700 0.003 2 2 . . . . 200 F HB2 . 25059 1 203 . 1 1 20 20 PHE HB3 H 1 2.900 0.001 2 2 . . . . 200 F HB3 . 25059 1 204 . 1 1 20 20 PHE C C 13 175.599 0.150 1 1 . . . . 200 F CO . 25059 1 205 . 1 1 20 20 PHE CA C 13 56.855 0.073 6 1 . . . . 200 F CA . 25059 1 206 . 1 1 20 20 PHE CB C 13 44.450 0.049 5 1 . . . . 200 F CB . 25059 1 207 . 1 1 20 20 PHE N N 15 112.547 0.042 7 1 . . . . 200 F N . 25059 1 208 . 1 1 21 21 ILE H H 1 9.731 0.001 8 1 . . . . 201 I H . 25059 1 209 . 1 1 21 21 ILE HA H 1 4.467 0.015 1 1 . . . . 201 I HA . 25059 1 210 . 1 1 21 21 ILE HB H 1 1.187 0.003 2 1 . . . . 201 I HB . 25059 1 211 . 1 1 21 21 ILE HG12 H 1 0.331 0.015 1 1 . . . . 201 I HG12 . 25059 1 212 . 1 1 21 21 ILE HG13 H 1 1.457 0.015 1 1 . . . . 201 I HG13 . 25059 1 213 . 1 1 21 21 ILE HG21 H 1 0.457 0.006 2 1 . . . . 201 I HG21 . 25059 1 214 . 1 1 21 21 ILE HG22 H 1 0.457 0.006 2 1 . . . . 201 I HG22 . 25059 1 215 . 1 1 21 21 ILE HG23 H 1 0.457 0.006 2 1 . . . . 201 I HG23 . 25059 1 216 . 1 1 21 21 ILE HD11 H 1 -0.252 0.004 2 1 . . . . 201 I HD11 . 25059 1 217 . 1 1 21 21 ILE HD12 H 1 -0.252 0.004 2 1 . . . . 201 I HD12 . 25059 1 218 . 1 1 21 21 ILE HD13 H 1 -0.252 0.004 2 1 . . . . 201 I HD13 . 25059 1 219 . 1 1 21 21 ILE C C 13 175.408 0.150 1 1 . . . . 201 I CO . 25059 1 220 . 1 1 21 21 ILE CA C 13 59.827 0.089 5 1 . . . . 201 I CA . 25059 1 221 . 1 1 21 21 ILE CB C 13 43.049 0.123 5 1 . . . . 201 I CB . 25059 1 222 . 1 1 21 21 ILE CG1 C 13 28.867 0.008 2 1 . . . . 201 I CG1 . 25059 1 223 . 1 1 21 21 ILE CG2 C 13 17.806 0.038 2 1 . . . . 201 I CG2 . 25059 1 224 . 1 1 21 21 ILE CD1 C 13 14.322 0.031 2 1 . . . . 201 I CD1 . 25059 1 225 . 1 1 21 21 ILE N N 15 124.588 0.054 8 1 . . . . 201 I N . 25059 1 226 . 1 1 22 22 GLN H H 1 9.295 0.004 10 1 . . . . 202 Q H . 25059 1 227 . 1 1 22 22 GLN HA H 1 4.841 0.015 1 1 . . . . 202 Q HA . 25059 1 228 . 1 1 22 22 GLN HB2 H 1 2.003 0.015 1 2 . . . . 202 Q HB2 . 25059 1 229 . 1 1 22 22 GLN HB3 H 1 2.172 0.015 1 2 . . . . 202 Q HB3 . 25059 1 230 . 1 1 22 22 GLN HG2 H 1 2.380 0.015 1 1 . . . . 202 Q QG . 25059 1 231 . 1 1 22 22 GLN HG3 H 1 2.380 0.015 1 1 . . . . 202 Q QG . 25059 1 232 . 1 1 22 22 GLN HE21 H 1 6.744 0.002 3 2 . . . . 202 Q HE21 . 25059 1 233 . 1 1 22 22 GLN HE22 H 1 7.737 0.015 1 2 . . . . 202 Q HE22 . 25059 1 234 . 1 1 22 22 GLN C C 13 175.994 0.150 1 1 . . . . 202 Q CO . 25059 1 235 . 1 1 22 22 GLN CA C 13 54.628 0.111 6 1 . . . . 202 Q CA . 25059 1 236 . 1 1 22 22 GLN CB C 13 29.247 0.039 5 1 . . . . 202 Q CB . 25059 1 237 . 1 1 22 22 GLN CG C 13 33.195 0.079 2 1 . . . . 202 Q CG . 25059 1 238 . 1 1 22 22 GLN N N 15 126.482 0.016 10 1 . . . . 202 Q N . 25059 1 239 . 1 1 22 22 GLN NE2 N 15 110.985 0.032 4 1 . . . . 202 Q NE . 25059 1 240 . 1 1 23 23 CYS H H 1 8.780 0.001 10 1 . . . . 203 C H . 25059 1 241 . 1 1 23 23 CYS HA H 1 4.640 0.015 1 1 . . . . 203 C HA . 25059 1 242 . 1 1 23 23 CYS HB2 H 1 3.170 0.003 2 2 . . . . 203 C HB2 . 25059 1 243 . 1 1 23 23 CYS HB3 H 1 3.749 0.001 2 2 . . . . 203 C HB3 . 25059 1 244 . 1 1 23 23 CYS C C 13 175.244 0.150 1 1 . . . . 203 C CO . 25059 1 245 . 1 1 23 23 CYS CA C 13 62.085 0.070 5 1 . . . . 203 C CA . 25059 1 246 . 1 1 23 23 CYS CB C 13 28.607 0.107 6 1 . . . . 203 C CB . 25059 1 247 . 1 1 23 23 CYS N N 15 127.158 0.042 10 1 . . . . 203 C N . 25059 1 248 . 1 1 24 24 CYS H H 1 8.890 0.004 9 1 . . . . 204 C H . 25059 1 249 . 1 1 24 24 CYS HA H 1 4.587 0.015 1 1 . . . . 204 C HA . 25059 1 250 . 1 1 24 24 CYS HB2 H 1 2.891 0.015 2 2 . . . . 204 C HB2 . 25059 1 251 . 1 1 24 24 CYS HB3 H 1 3.218 0.001 2 2 . . . . 204 C HB3 . 25059 1 252 . 1 1 24 24 CYS C C 13 176.245 0.150 1 1 . . . . 204 C CO . 25059 1 253 . 1 1 24 24 CYS CA C 13 61.129 0.076 6 1 . . . . 204 C CA . 25059 1 254 . 1 1 24 24 CYS CB C 13 28.379 0.072 6 1 . . . . 204 C CB . 25059 1 255 . 1 1 24 24 CYS N N 15 119.629 0.053 9 1 . . . . 204 C N . 25059 1 256 . 1 1 25 25 GLU H H 1 9.182 0.002 10 1 . . . . 205 E H . 25059 1 257 . 1 1 25 25 GLU HA H 1 4.433 0.015 1 1 . . . . 205 E HA . 25059 1 258 . 1 1 25 25 GLU HB2 H 1 2.107 0.008 2 2 . . . . 205 E HB2 . 25059 1 259 . 1 1 25 25 GLU HB3 H 1 2.341 0.001 2 2 . . . . 205 E HB3 . 25059 1 260 . 1 1 25 25 GLU HG2 H 1 2.256 0.001 2 2 . . . . 205 E HG2 . 25059 1 261 . 1 1 25 25 GLU HG3 H 1 2.341 0.015 2 2 . . . . 205 E HG3 . 25059 1 262 . 1 1 25 25 GLU C C 13 175.294 0.150 1 1 . . . . 205 E CO . 25059 1 263 . 1 1 25 25 GLU CA C 13 57.248 0.091 6 1 . . . . 205 E CA . 25059 1 264 . 1 1 25 25 GLU CB C 13 29.498 0.051 7 1 . . . . 205 E CB . 25059 1 265 . 1 1 25 25 GLU CG C 13 36.983 0.036 4 1 . . . . 205 E CG . 25059 1 266 . 1 1 25 25 GLU N N 15 119.089 0.021 10 1 . . . . 205 E N . 25059 1 267 . 1 1 26 26 ARG H H 1 7.636 0.001 11 1 . . . . 206 R H . 25059 1 268 . 1 1 26 26 ARG HA H 1 4.531 0.015 1 1 . . . . 206 R HA . 25059 1 269 . 1 1 26 26 ARG HB2 H 1 1.722 0.015 1 2 . . . . 206 R HB2 . 25059 1 270 . 1 1 26 26 ARG HB3 H 1 2.057 0.015 1 2 . . . . 206 R HB3 . 25059 1 271 . 1 1 26 26 ARG HD2 H 1 3.205 0.008 2 2 . . . . 206 R HD2 . 25059 1 272 . 1 1 26 26 ARG HD3 H 1 3.254 0.001 2 2 . . . . 206 R HD3 . 25059 1 273 . 1 1 26 26 ARG C C 13 174.162 0.150 1 1 . . . . 206 R CO . 25059 1 274 . 1 1 26 26 ARG CA C 13 53.927 0.042 6 1 . . . . 206 R CA . 25059 1 275 . 1 1 26 26 ARG CB C 13 31.334 0.021 5 1 . . . . 206 R CB . 25059 1 276 . 1 1 26 26 ARG CD C 13 43.051 0.127 4 1 . . . . 206 R CD . 25059 1 277 . 1 1 26 26 ARG N N 15 114.645 0.056 11 1 . . . . 206 R N . 25059 1 278 . 1 1 27 27 GLN H H 1 8.503 0.005 11 1 . . . . 207 Q H . 25059 1 279 . 1 1 27 27 GLN HA H 1 4.602 0.015 1 1 . . . . 207 Q HA . 25059 1 280 . 1 1 27 27 GLN HE21 H 1 6.854 0.005 3 2 . . . . 207 Q HE21 . 25059 1 281 . 1 1 27 27 GLN HE22 H 1 7.598 0.001 3 2 . . . . 207 Q HE22 . 25059 1 282 . 1 1 27 27 GLN C C 13 175.065 0.150 1 1 . . . . 207 Q CO . 25059 1 283 . 1 1 27 27 GLN CA C 13 55.219 0.113 5 1 . . . . 207 Q CA . 25059 1 284 . 1 1 27 27 GLN CB C 13 27.479 0.020 4 1 . . . . 207 Q CB . 25059 1 285 . 1 1 27 27 GLN CG C 13 34.157 0.016 2 1 . . . . 207 Q CG . 25059 1 286 . 1 1 27 27 GLN N N 15 119.820 0.033 11 1 . . . . 207 Q N . 25059 1 287 . 1 1 27 27 GLN NE2 N 15 112.704 0.041 6 1 . . . . 207 Q NE . 25059 1 288 . 1 1 28 28 ALA H H 1 8.227 0.004 9 1 . . . . 208 A H . 25059 1 289 . 1 1 28 28 ALA HA H 1 4.522 0.015 1 1 . . . . 208 A HA . 25059 1 290 . 1 1 28 28 ALA HB1 H 1 1.373 0.002 2 1 . . . . 208 A MB . 25059 1 291 . 1 1 28 28 ALA HB2 H 1 1.373 0.002 2 1 . . . . 208 A MB . 25059 1 292 . 1 1 28 28 ALA HB3 H 1 1.373 0.002 2 1 . . . . 208 A MB . 25059 1 293 . 1 1 28 28 ALA C C 13 174.184 0.150 1 1 . . . . 208 A CO . 25059 1 294 . 1 1 28 28 ALA CA C 13 52.545 0.078 6 1 . . . . 208 A CA . 25059 1 295 . 1 1 28 28 ALA CB C 13 21.426 0.055 5 1 . . . . 208 A CB . 25059 1 296 . 1 1 28 28 ALA N N 15 125.072 0.057 9 1 . . . . 208 A N . 25059 1 297 . 1 1 29 29 ARG H H 1 8.451 0.003 11 1 . . . . 209 R H . 25059 1 298 . 1 1 29 29 ARG HA H 1 5.346 0.009 2 1 . . . . 209 R HA . 25059 1 299 . 1 1 29 29 ARG HB2 H 1 1.739 0.015 1 1 . . . . 209 R QB . 25059 1 300 . 1 1 29 29 ARG HB3 H 1 1.739 0.015 1 1 . . . . 209 R QB . 25059 1 301 . 1 1 29 29 ARG HG2 H 1 1.434 0.015 1 2 . . . . 209 R HG2 . 25059 1 302 . 1 1 29 29 ARG HD2 H 1 2.877 0.003 2 2 . . . . 209 R HD2 . 25059 1 303 . 1 1 29 29 ARG HD3 H 1 2.961 0.006 2 2 . . . . 209 R HD3 . 25059 1 304 . 1 1 29 29 ARG C C 13 175.973 0.150 1 1 . . . . 209 R CO . 25059 1 305 . 1 1 29 29 ARG CA C 13 54.437 0.079 7 1 . . . . 209 R CA . 25059 1 306 . 1 1 29 29 ARG CB C 13 32.311 0.025 4 1 . . . . 209 R CB . 25059 1 307 . 1 1 29 29 ARG CG C 13 28.005 0.150 1 1 . . . . 209 R CG . 25059 1 308 . 1 1 29 29 ARG CD C 13 43.408 0.124 4 1 . . . . 209 R CD . 25059 1 309 . 1 1 29 29 ARG N N 15 123.204 0.046 11 1 . . . . 209 R N . 25059 1 310 . 1 1 30 30 LEU H H 1 9.403 0.002 11 1 . . . . 210 L H . 25059 1 311 . 1 1 30 30 LEU HA H 1 5.028 0.015 1 1 . . . . 210 L HA . 25059 1 312 . 1 1 30 30 LEU HB2 H 1 1.184 0.003 2 2 . . . . 210 L HB2 . 25059 1 313 . 1 1 30 30 LEU HB3 H 1 1.355 0.002 2 2 . . . . 210 L HB3 . 25059 1 314 . 1 1 30 30 LEU HG H 1 1.353 0.015 1 1 . . . . 210 L HG . 25059 1 315 . 1 1 30 30 LEU HD11 H 1 0.607 0.004 2 1 . . . . 210 L MD1 . 25059 1 316 . 1 1 30 30 LEU HD12 H 1 0.607 0.004 2 1 . . . . 210 L MD1 . 25059 1 317 . 1 1 30 30 LEU HD13 H 1 0.607 0.004 2 1 . . . . 210 L MD1 . 25059 1 318 . 1 1 30 30 LEU HD21 H 1 0.703 0.004 2 1 . . . . 210 L MD2 . 25059 1 319 . 1 1 30 30 LEU HD22 H 1 0.703 0.004 2 1 . . . . 210 L MD2 . 25059 1 320 . 1 1 30 30 LEU HD23 H 1 0.703 0.004 2 1 . . . . 210 L MD2 . 25059 1 321 . 1 1 30 30 LEU C C 13 175.613 0.150 1 1 . . . . 210 L CO . 25059 1 322 . 1 1 30 30 LEU CA C 13 53.523 0.101 6 1 . . . . 210 L CA . 25059 1 323 . 1 1 30 30 LEU CB C 13 46.086 0.112 6 1 . . . . 210 L CB . 25059 1 324 . 1 1 30 30 LEU CG C 13 27.221 0.150 1 1 . . . . 210 L CG . 25059 1 325 . 1 1 30 30 LEU CD1 C 13 27.270 0.034 2 1 . . . . 210 L CD1 . 25059 1 326 . 1 1 30 30 LEU CD2 C 13 24.389 0.046 2 1 . . . . 210 L CD2 . 25059 1 327 . 1 1 30 30 LEU N N 15 125.700 0.036 11 1 . . . . 210 L N . 25059 1 328 . 1 1 31 31 PHE H H 1 8.827 0.002 10 1 . . . . 211 F H . 25059 1 329 . 1 1 31 31 PHE HA H 1 4.512 0.015 2 1 . . . . 211 F HA . 25059 1 330 . 1 1 31 31 PHE HB2 H 1 2.915 0.015 1 2 . . . . 211 F HB2 . 25059 1 331 . 1 1 31 31 PHE HB3 H 1 3.097 0.015 1 2 . . . . 211 F HB3 . 25059 1 332 . 1 1 31 31 PHE C C 13 174.051 0.150 1 1 . . . . 211 F CO . 25059 1 333 . 1 1 31 31 PHE CA C 13 57.462 0.089 7 1 . . . . 211 F CA . 25059 1 334 . 1 1 31 31 PHE CB C 13 41.297 0.321 5 1 . . . . 211 F CB . 25059 1 335 . 1 1 31 31 PHE N N 15 126.597 0.035 10 1 . . . . 211 F N . 25059 1 336 . 1 1 32 32 PHE H H 1 7.826 0.002 11 1 . . . . 212 F H . 25059 1 337 . 1 1 32 32 PHE HA H 1 5.027 0.015 1 1 . . . . 212 F HA . 25059 1 338 . 1 1 32 32 PHE HB2 H 1 2.760 0.004 2 2 . . . . 212 F HB2 . 25059 1 339 . 1 1 32 32 PHE HB3 H 1 2.819 0.001 2 2 . . . . 212 F HB3 . 25059 1 340 . 1 1 32 32 PHE C C 13 171.332 0.150 1 1 . . . . 212 F CO . 25059 1 341 . 1 1 32 32 PHE CA C 13 55.786 0.072 5 1 . . . . 212 F CA . 25059 1 342 . 1 1 32 32 PHE CB C 13 43.591 0.083 6 1 . . . . 212 F CB . 25059 1 343 . 1 1 32 32 PHE N N 15 122.819 0.028 11 1 . . . . 212 F N . 25059 1 344 . 1 1 33 33 HIS H H 1 9.491 0.003 9 1 . . . . 213 H H . 25059 1 345 . 1 1 33 33 HIS HA H 1 4.173 0.001 2 1 . . . . 213 H HA . 25059 1 346 . 1 1 33 33 HIS HB2 H 1 3.099 0.002 2 2 . . . . 213 H HB2 . 25059 1 347 . 1 1 33 33 HIS HB3 H 1 3.163 0.010 2 2 . . . . 213 H HB3 . 25059 1 348 . 1 1 33 33 HIS C C 13 178.232 0.150 1 1 . . . . 213 H CO . 25059 1 349 . 1 1 33 33 HIS CA C 13 56.675 0.027 7 1 . . . . 213 H CA . 25059 1 350 . 1 1 33 33 HIS CB C 13 32.827 0.066 7 1 . . . . 213 H CB . 25059 1 351 . 1 1 33 33 HIS N N 15 122.433 0.035 9 1 . . . . 213 H N . 25059 1 352 . 1 1 34 34 PHE H H 1 8.048 0.003 11 1 . . . . 214 F H . 25059 1 353 . 1 1 34 34 PHE HA H 1 4.486 0.004 2 1 . . . . 214 F HA . 25059 1 354 . 1 1 34 34 PHE HB2 H 1 2.981 0.015 2 2 . . . . 214 F HB2 . 25059 1 355 . 1 1 34 34 PHE HB3 H 1 3.239 0.007 2 2 . . . . 214 F HB3 . 25059 1 356 . 1 1 34 34 PHE C C 13 178.800 0.150 1 1 . . . . 214 F CO . 25059 1 357 . 1 1 34 34 PHE CA C 13 57.638 0.073 6 1 . . . . 214 F CA . 25059 1 358 . 1 1 34 34 PHE CB C 13 35.147 0.062 6 1 . . . . 214 F CB . 25059 1 359 . 1 1 34 34 PHE N N 15 125.668 0.029 11 1 . . . . 214 F N . 25059 1 360 . 1 1 35 35 SER H H 1 9.618 0.009 9 1 . . . . 215 S H . 25059 1 361 . 1 1 35 35 SER HA H 1 4.492 0.004 2 1 . . . . 215 S HA . 25059 1 362 . 1 1 35 35 SER HB2 H 1 4.178 0.015 1 2 . . . . 215 S HB2 . 25059 1 363 . 1 1 35 35 SER HB3 H 1 4.241 0.015 1 2 . . . . 215 S HB3 . 25059 1 364 . 1 1 35 35 SER C C 13 176.058 0.150 1 1 . . . . 215 S CO . 25059 1 365 . 1 1 35 35 SER CA C 13 61.002 0.084 5 1 . . . . 215 S CA . 25059 1 366 . 1 1 35 35 SER CB C 13 62.244 0.134 4 1 . . . . 215 S CB . 25059 1 367 . 1 1 35 35 SER N N 15 117.641 0.036 9 1 . . . . 215 S N . 25059 1 368 . 1 1 36 36 GLN H H 1 8.299 0.006 8 1 . . . . 216 Q H . 25059 1 369 . 1 1 36 36 GLN HA H 1 4.492 0.005 2 1 . . . . 216 Q HA . 25059 1 370 . 1 1 36 36 GLN HB2 H 1 2.625 0.015 1 2 . . . . 216 Q HB2 . 25059 1 371 . 1 1 36 36 GLN HB3 H 1 2.905 0.015 1 2 . . . . 216 Q HB3 . 25059 1 372 . 1 1 36 36 GLN HG2 H 1 2.572 0.003 2 2 . . . . 216 Q HG2 . 25059 1 373 . 1 1 36 36 GLN HG3 H 1 2.909 0.004 2 2 . . . . 216 Q HG3 . 25059 1 374 . 1 1 36 36 GLN HE21 H 1 7.014 0.001 3 2 . . . . 216 Q HE21 . 25059 1 375 . 1 1 36 36 GLN HE22 H 1 7.810 0.003 3 2 . . . . 216 Q HE22 . 25059 1 376 . 1 1 36 36 GLN C C 13 174.359 0.150 1 1 . . . . 216 Q CO . 25059 1 377 . 1 1 36 36 GLN CA C 13 55.311 0.065 7 1 . . . . 216 Q CA . 25059 1 378 . 1 1 36 36 GLN CB C 13 28.838 0.077 7 1 . . . . 216 Q CB . 25059 1 379 . 1 1 36 36 GLN CG C 13 34.371 0.130 6 1 . . . . 216 Q CG . 25059 1 380 . 1 1 36 36 GLN N N 15 119.918 0.024 8 1 . . . . 216 Q N . 25059 1 381 . 1 1 36 36 GLN NE2 N 15 114.666 0.053 6 1 . . . . 216 Q NE . 25059 1 382 . 1 1 37 37 PHE H H 1 8.022 0.001 11 1 . . . . 217 F H . 25059 1 383 . 1 1 37 37 PHE HA H 1 5.204 0.004 2 1 . . . . 217 F HA . 25059 1 384 . 1 1 37 37 PHE HB2 H 1 2.760 0.004 2 2 . . . . 217 F HB2 . 25059 1 385 . 1 1 37 37 PHE HB3 H 1 3.362 0.015 2 2 . . . . 217 F HB3 . 25059 1 386 . 1 1 37 37 PHE C C 13 174.728 0.150 1 1 . . . . 217 F CO . 25059 1 387 . 1 1 37 37 PHE CA C 13 56.883 0.068 6 1 . . . . 217 F CA . 25059 1 388 . 1 1 37 37 PHE CB C 13 41.106 0.114 5 1 . . . . 217 F CB . 25059 1 389 . 1 1 37 37 PHE N N 15 121.954 0.036 11 1 . . . . 217 F N . 25059 1 390 . 1 1 38 38 SER H H 1 8.320 0.005 8 1 . . . . 218 S H . 25059 1 391 . 1 1 38 38 SER HA H 1 4.416 0.003 2 1 . . . . 218 S HA . 25059 1 392 . 1 1 38 38 SER HB2 H 1 3.615 0.001 2 1 . . . . 218 S QB . 25059 1 393 . 1 1 38 38 SER HB3 H 1 3.615 0.001 2 1 . . . . 218 S QB . 25059 1 394 . 1 1 38 38 SER C C 13 172.681 0.150 1 1 . . . . 218 S CO . 25059 1 395 . 1 1 38 38 SER CA C 13 57.204 0.088 6 1 . . . . 218 S CA . 25059 1 396 . 1 1 38 38 SER CB C 13 63.094 0.079 5 1 . . . . 218 S CB . 25059 1 397 . 1 1 38 38 SER N N 15 124.436 0.021 8 1 . . . . 218 S N . 25059 1 398 . 1 1 39 39 GLY H H 1 7.248 0.002 9 1 . . . . 219 G H . 25059 1 399 . 1 1 39 39 GLY HA2 H 1 3.833 0.017 2 1 . . . . 219 G QA . 25059 1 400 . 1 1 39 39 GLY HA3 H 1 3.833 0.017 2 1 . . . . 219 G QA . 25059 1 401 . 1 1 39 39 GLY CA C 13 43.915 0.091 5 1 . . . . 219 G CA . 25059 1 402 . 1 1 39 39 GLY N N 15 111.244 0.048 9 1 . . . . 219 G N . 25059 1 403 . 1 1 40 40 ASN H H 1 8.556 0.002 4 1 . . . . 220 N H . 25059 1 404 . 1 1 40 40 ASN HA H 1 4.819 0.015 1 1 . . . . 220 N HA . 25059 1 405 . 1 1 40 40 ASN HB2 H 1 2.609 0.028 2 2 . . . . 220 N HB2 . 25059 1 406 . 1 1 40 40 ASN HB3 H 1 2.731 0.023 2 2 . . . . 220 N HB3 . 25059 1 407 . 1 1 40 40 ASN HD21 H 1 6.971 0.001 3 2 . . . . 220 N HD21 . 25059 1 408 . 1 1 40 40 ASN HD22 H 1 7.385 0.017 3 2 . . . . 220 N HD22 . 25059 1 409 . 1 1 40 40 ASN C C 13 177.156 0.150 1 1 . . . . 220 N CO . 25059 1 410 . 1 1 40 40 ASN CA C 13 52.121 0.115 7 1 . . . . 220 N CA . 25059 1 411 . 1 1 40 40 ASN CB C 13 38.029 0.181 7 1 . . . . 220 N CB . 25059 1 412 . 1 1 40 40 ASN N N 15 118.108 0.034 4 1 . . . . 220 N N . 25059 1 413 . 1 1 40 40 ASN ND2 N 15 110.775 0.047 6 1 . . . . 220 N ND . 25059 1 414 . 1 1 41 41 ILE H H 1 8.911 0.002 10 1 . . . . 221 I H . 25059 1 415 . 1 1 41 41 ILE HA H 1 3.630 0.001 2 1 . . . . 221 I HA . 25059 1 416 . 1 1 41 41 ILE HB H 1 1.691 0.015 1 1 . . . . 221 I HB . 25059 1 417 . 1 1 41 41 ILE HG12 H 1 0.610 0.015 2 1 . . . . 221 I HG12 . 25059 1 418 . 1 1 41 41 ILE HG13 H 1 0.778 0.007 2 1 . . . . 221 I HG13 . 25059 1 419 . 1 1 41 41 ILE HG21 H 1 0.708 0.003 2 1 . . . . 221 I HG21 . 25059 1 420 . 1 1 41 41 ILE HG22 H 1 0.708 0.003 2 1 . . . . 221 I HG22 . 25059 1 421 . 1 1 41 41 ILE HG23 H 1 0.708 0.003 2 1 . . . . 221 I HG23 . 25059 1 422 . 1 1 41 41 ILE HD11 H 1 -0.157 0.004 2 1 . . . . 221 I HD11 . 25059 1 423 . 1 1 41 41 ILE HD12 H 1 -0.157 0.004 2 1 . . . . 221 I HD12 . 25059 1 424 . 1 1 41 41 ILE HD13 H 1 -0.157 0.004 2 1 . . . . 221 I HD13 . 25059 1 425 . 1 1 41 41 ILE C C 13 176.013 0.150 1 1 . . . . 221 I CO . 25059 1 426 . 1 1 41 41 ILE CA C 13 61.162 0.087 7 1 . . . . 221 I CA . 25059 1 427 . 1 1 41 41 ILE CB C 13 38.407 0.035 4 1 . . . . 221 I CB . 25059 1 428 . 1 1 41 41 ILE CG1 C 13 28.611 0.091 4 1 . . . . 221 I CG1 . 25059 1 429 . 1 1 41 41 ILE CG2 C 13 18.128 0.033 2 1 . . . . 221 I CG2 . 25059 1 430 . 1 1 41 41 ILE CD1 C 13 13.158 0.017 2 1 . . . . 221 I CD1 . 25059 1 431 . 1 1 41 41 ILE N N 15 129.736 0.052 10 1 . . . . 221 I N . 25059 1 432 . 1 1 42 42 ASP H H 1 8.041 0.004 11 1 . . . . 222 D H . 25059 1 433 . 1 1 42 42 ASP HA H 1 4.336 0.005 2 1 . . . . 222 D HA . 25059 1 434 . 1 1 42 42 ASP HB2 H 1 2.414 0.023 2 2 . . . . 222 D HB2 . 25059 1 435 . 1 1 42 42 ASP HB3 H 1 2.534 0.006 2 2 . . . . 222 D HB3 . 25059 1 436 . 1 1 42 42 ASP C C 13 177.108 0.150 1 1 . . . . 222 D CO . 25059 1 437 . 1 1 42 42 ASP CA C 13 56.037 0.057 6 1 . . . . 222 D CA . 25059 1 438 . 1 1 42 42 ASP CB C 13 39.787 0.092 7 1 . . . . 222 D CB . 25059 1 439 . 1 1 42 42 ASP N N 15 120.433 0.020 11 1 . . . . 222 D N . 25059 1 440 . 1 1 43 43 HIS H H 1 7.636 0.005 10 1 . . . . 223 H H . 25059 1 441 . 1 1 43 43 HIS HA H 1 4.737 0.015 1 1 . . . . 223 H HA . 25059 1 442 . 1 1 43 43 HIS HB2 H 1 3.477 0.044 2 2 . . . . 223 H HB2 . 25059 1 443 . 1 1 43 43 HIS HB3 H 1 3.048 0.015 2 2 . . . . 223 H HB3 . 25059 1 444 . 1 1 43 43 HIS C C 13 173.655 0.150 1 1 . . . . 223 H CO . 25059 1 445 . 1 1 43 43 HIS CA C 13 53.820 0.125 6 1 . . . . 223 H CA . 25059 1 446 . 1 1 43 43 HIS CB C 13 30.538 0.414 7 1 . . . . 223 H CB . 25059 1 447 . 1 1 43 43 HIS N N 15 115.248 0.133 10 1 . . . . 223 H N . 25059 1 448 . 1 1 44 44 LEU H H 1 7.308 0.002 11 1 . . . . 224 L H . 25059 1 449 . 1 1 44 44 LEU HA H 1 4.405 0.003 2 1 . . . . 224 L HA . 25059 1 450 . 1 1 44 44 LEU HB2 H 1 0.846 0.015 1 2 . . . . 224 L HB2 . 25059 1 451 . 1 1 44 44 LEU HB3 H 1 1.601 0.015 1 2 . . . . 224 L HB3 . 25059 1 452 . 1 1 44 44 LEU HG H 1 1.246 0.015 1 1 . . . . 224 L HG . 25059 1 453 . 1 1 44 44 LEU HD11 H 1 0.739 0.003 2 1 . . . . 224 L MD1 . 25059 1 454 . 1 1 44 44 LEU HD12 H 1 0.739 0.003 2 1 . . . . 224 L MD1 . 25059 1 455 . 1 1 44 44 LEU HD13 H 1 0.739 0.003 2 1 . . . . 224 L MD1 . 25059 1 456 . 1 1 44 44 LEU HD21 H 1 0.069 0.008 2 1 . . . . 224 L MD2 . 25059 1 457 . 1 1 44 44 LEU HD22 H 1 0.069 0.008 2 1 . . . . 224 L MD2 . 25059 1 458 . 1 1 44 44 LEU HD23 H 1 0.069 0.008 2 1 . . . . 224 L MD2 . 25059 1 459 . 1 1 44 44 LEU C C 13 174.447 0.150 1 1 . . . . 224 L CO . 25059 1 460 . 1 1 44 44 LEU CA C 13 54.637 0.104 7 1 . . . . 224 L CA . 25059 1 461 . 1 1 44 44 LEU CB C 13 43.481 0.056 5 1 . . . . 224 L CB . 25059 1 462 . 1 1 44 44 LEU CG C 13 26.436 0.150 1 1 . . . . 224 L CG . 25059 1 463 . 1 1 44 44 LEU CD1 C 13 23.122 0.015 2 1 . . . . 224 L CD1 . 25059 1 464 . 1 1 44 44 LEU CD2 C 13 24.919 0.056 2 1 . . . . 224 L CD2 . 25059 1 465 . 1 1 44 44 LEU N N 15 124.282 0.057 11 1 . . . . 224 L N . 25059 1 466 . 1 1 45 45 LYS H H 1 8.837 0.002 11 1 . . . . 225 K H . 25059 1 467 . 1 1 45 45 LYS HA H 1 4.612 0.015 1 1 . . . . 225 K HA . 25059 1 468 . 1 1 45 45 LYS HB2 H 1 1.704 0.003 2 1 . . . . 225 K QB . 25059 1 469 . 1 1 45 45 LYS HB3 H 1 1.704 0.003 2 1 . . . . 225 K QB . 25059 1 470 . 1 1 45 45 LYS HG2 H 1 1.293 0.004 2 2 . . . . 225 K HG2 . 25059 1 471 . 1 1 45 45 LYS HG3 H 1 1.406 0.015 1 2 . . . . 225 K HG3 . 25059 1 472 . 1 1 45 45 LYS HE2 H 1 3.011 0.015 1 1 . . . . 225 K QE . 25059 1 473 . 1 1 45 45 LYS HE3 H 1 3.011 0.015 1 1 . . . . 225 K QE . 25059 1 474 . 1 1 45 45 LYS C C 13 176.132 0.150 1 1 . . . . 225 K CO . 25059 1 475 . 1 1 45 45 LYS CA C 13 53.985 0.112 6 1 . . . . 225 K CA . 25059 1 476 . 1 1 45 45 LYS CB C 13 35.735 0.055 5 1 . . . . 225 K CB . 25059 1 477 . 1 1 45 45 LYS CG C 13 23.826 0.042 3 1 . . . . 225 K CG . 25059 1 478 . 1 1 45 45 LYS CE C 13 41.862 0.150 1 1 . . . . 225 K CE . 25059 1 479 . 1 1 45 45 LYS N N 15 125.432 0.043 11 1 . . . . 225 K N . 25059 1 480 . 1 1 46 46 ILE H H 1 8.227 0.002 11 1 . . . . 226 I H . 25059 1 481 . 1 1 46 46 ILE HA H 1 3.396 0.001 2 1 . . . . 226 I HA . 25059 1 482 . 1 1 46 46 ILE HB H 1 1.747 0.002 2 1 . . . . 226 I HB . 25059 1 483 . 1 1 46 46 ILE HG12 H 1 1.167 0.015 1 1 . . . . 226 I HG12 . 25059 1 484 . 1 1 46 46 ILE HG13 H 1 1.616 0.015 1 1 . . . . 226 I HG13 . 25059 1 485 . 1 1 46 46 ILE HG21 H 1 0.936 0.006 2 1 . . . . 226 I HG21 . 25059 1 486 . 1 1 46 46 ILE HG22 H 1 0.936 0.006 2 1 . . . . 226 I HG22 . 25059 1 487 . 1 1 46 46 ILE HG23 H 1 0.936 0.006 2 1 . . . . 226 I HG23 . 25059 1 488 . 1 1 46 46 ILE HD11 H 1 0.942 0.003 2 1 . . . . 226 I HD11 . 25059 1 489 . 1 1 46 46 ILE HD12 H 1 0.942 0.003 2 1 . . . . 226 I HD12 . 25059 1 490 . 1 1 46 46 ILE HD13 H 1 0.942 0.003 2 1 . . . . 226 I HD13 . 25059 1 491 . 1 1 46 46 ILE C C 13 177.599 0.150 1 1 . . . . 226 I CO . 25059 1 492 . 1 1 46 46 ILE CA C 13 63.428 0.074 7 1 . . . . 226 I CA . 25059 1 493 . 1 1 46 46 ILE CB C 13 36.937 0.018 5 1 . . . . 226 I CB . 25059 1 494 . 1 1 46 46 ILE CG1 C 13 27.950 0.004 2 1 . . . . 226 I CG1 . 25059 1 495 . 1 1 46 46 ILE CG2 C 13 17.561 0.043 2 1 . . . . 226 I CG2 . 25059 1 496 . 1 1 46 46 ILE CD1 C 13 12.535 0.016 2 1 . . . . 226 I CD1 . 25059 1 497 . 1 1 46 46 ILE N N 15 119.419 0.031 11 1 . . . . 226 I N . 25059 1 498 . 1 1 47 47 GLY H H 1 9.108 0.002 10 1 . . . . 227 G H . 25059 1 499 . 1 1 47 47 GLY HA2 H 1 3.538 0.006 2 2 . . . . 227 G HA2 . 25059 1 500 . 1 1 47 47 GLY HA3 H 1 4.483 0.004 2 2 . . . . 227 G HA3 . 25059 1 501 . 1 1 47 47 GLY C C 13 174.128 0.150 1 1 . . . . 227 G CO . 25059 1 502 . 1 1 47 47 GLY CA C 13 44.650 0.105 9 1 . . . . 227 G CA . 25059 1 503 . 1 1 47 47 GLY N N 15 116.142 0.024 10 1 . . . . 227 G N . 25059 1 504 . 1 1 48 48 ASP H H 1 8.047 0.002 9 1 . . . . 228 D H . 25059 1 505 . 1 1 48 48 ASP HA H 1 4.962 0.003 2 1 . . . . 228 D HA . 25059 1 506 . 1 1 48 48 ASP HB2 H 1 2.357 0.004 2 2 . . . . 228 D HB2 . 25059 1 507 . 1 1 48 48 ASP HB3 H 1 2.944 0.004 2 2 . . . . 228 D HB3 . 25059 1 508 . 1 1 48 48 ASP CA C 13 53.456 0.054 4 1 . . . . 228 D CA . 25059 1 509 . 1 1 48 48 ASP CB C 13 40.163 0.020 5 1 . . . . 228 D CB . 25059 1 510 . 1 1 48 48 ASP N N 15 122.247 0.045 9 1 . . . . 228 D N . 25059 1 511 . 1 1 49 49 PRO HA H 1 5.372 0.008 2 1 . . . . 229 P HA . 25059 1 512 . 1 1 49 49 PRO HB2 H 1 2.037 0.005 2 2 . . . . 229 P HB2 . 25059 1 513 . 1 1 49 49 PRO HB3 H 1 2.290 0.009 2 2 . . . . 229 P HB3 . 25059 1 514 . 1 1 49 49 PRO HG3 H 1 2.423 0.015 1 2 . . . . 229 P HG3 . 25059 1 515 . 1 1 49 49 PRO HD2 H 1 3.836 0.007 2 2 . . . . 229 P HD2 . 25059 1 516 . 1 1 49 49 PRO HD3 H 1 4.203 0.003 2 2 . . . . 229 P HD3 . 25059 1 517 . 1 1 49 49 PRO C C 13 177.175 0.150 1 1 . . . . 229 P CO . 25059 1 518 . 1 1 49 49 PRO CA C 13 61.866 0.048 4 1 . . . . 229 P CA . 25059 1 519 . 1 1 49 49 PRO CB C 13 32.143 0.125 6 1 . . . . 229 P CB . 25059 1 520 . 1 1 49 49 PRO CG C 13 27.337 0.150 1 1 . . . . 229 P CG . 25059 1 521 . 1 1 49 49 PRO CD C 13 51.204 0.040 4 1 . . . . 229 P CD . 25059 1 522 . 1 1 50 50 VAL H H 1 8.876 0.003 10 1 . . . . 230 V H . 25059 1 523 . 1 1 50 50 VAL HA H 1 5.340 0.004 2 1 . . . . 230 V HA . 25059 1 524 . 1 1 50 50 VAL HB H 1 2.152 0.015 1 1 . . . . 230 V HB . 25059 1 525 . 1 1 50 50 VAL HG11 H 1 0.716 0.005 2 1 . . . . 230 V MG1 . 25059 1 526 . 1 1 50 50 VAL HG12 H 1 0.716 0.005 2 1 . . . . 230 V MG1 . 25059 1 527 . 1 1 50 50 VAL HG13 H 1 0.716 0.005 2 1 . . . . 230 V MG1 . 25059 1 528 . 1 1 50 50 VAL HG21 H 1 0.485 0.005 2 1 . . . . 230 V MG2 . 25059 1 529 . 1 1 50 50 VAL HG22 H 1 0.485 0.005 2 1 . . . . 230 V MG2 . 25059 1 530 . 1 1 50 50 VAL HG23 H 1 0.485 0.005 2 1 . . . . 230 V MG2 . 25059 1 531 . 1 1 50 50 VAL C C 13 173.636 0.150 1 1 . . . . 230 V CO . 25059 1 532 . 1 1 50 50 VAL CA C 13 58.520 0.049 7 1 . . . . 230 V CA . 25059 1 533 . 1 1 50 50 VAL CB C 13 36.812 0.064 4 1 . . . . 230 V CB . 25059 1 534 . 1 1 50 50 VAL CG1 C 13 21.873 0.008 2 1 . . . . 230 V CG1 . 25059 1 535 . 1 1 50 50 VAL CG2 C 13 17.676 0.021 2 1 . . . . 230 V CG2 . 25059 1 536 . 1 1 50 50 VAL N N 15 114.688 0.038 10 1 . . . . 230 V N . 25059 1 537 . 1 1 51 51 GLU H H 1 9.145 0.002 11 1 . . . . 231 E H . 25059 1 538 . 1 1 51 51 GLU HA H 1 5.402 0.003 2 1 . . . . 231 E HA . 25059 1 539 . 1 1 51 51 GLU HB2 H 1 1.852 0.015 1 1 . . . . 231 E QB . 25059 1 540 . 1 1 51 51 GLU HB3 H 1 1.852 0.015 1 1 . . . . 231 E QB . 25059 1 541 . 1 1 51 51 GLU HG2 H 1 2.110 0.003 2 1 . . . . 231 E QG . 25059 1 542 . 1 1 51 51 GLU HG3 H 1 2.110 0.003 2 1 . . . . 231 E QG . 25059 1 543 . 1 1 51 51 GLU C C 13 174.824 0.150 1 1 . . . . 231 E CO . 25059 1 544 . 1 1 51 51 GLU CA C 13 53.596 0.066 7 1 . . . . 231 E CA . 25059 1 545 . 1 1 51 51 GLU CB C 13 34.003 0.081 4 1 . . . . 231 E CB . 25059 1 546 . 1 1 51 51 GLU CG C 13 37.079 0.120 2 1 . . . . 231 E CG . 25059 1 547 . 1 1 51 51 GLU N N 15 120.054 0.035 11 1 . . . . 231 E N . 25059 1 548 . 1 1 52 52 PHE H H 1 8.233 0.004 11 1 . . . . 232 F H . 25059 1 549 . 1 1 52 52 PHE HA H 1 5.139 0.015 1 1 . . . . 232 F HA . 25059 1 550 . 1 1 52 52 PHE HB2 H 1 2.956 0.015 1 2 . . . . 232 F HB2 . 25059 1 551 . 1 1 52 52 PHE HB3 H 1 3.083 0.001 2 2 . . . . 232 F HB3 . 25059 1 552 . 1 1 52 52 PHE C C 13 171.990 0.150 1 1 . . . . 232 F CO . 25059 1 553 . 1 1 52 52 PHE CA C 13 56.448 0.049 6 1 . . . . 232 F CA . 25059 1 554 . 1 1 52 52 PHE CB C 13 41.321 0.106 6 1 . . . . 232 F CB . 25059 1 555 . 1 1 52 52 PHE N N 15 116.831 0.034 11 1 . . . . 232 F N . 25059 1 556 . 1 1 53 53 GLU H H 1 8.784 0.002 11 1 . . . . 233 E H . 25059 1 557 . 1 1 53 53 GLU HA H 1 4.851 0.015 1 1 . . . . 233 E HA . 25059 1 558 . 1 1 53 53 GLU HB2 H 1 1.831 0.015 1 2 . . . . 233 E HB2 . 25059 1 559 . 1 1 53 53 GLU HG2 H 1 2.063 0.015 1 2 . . . . 233 E HG2 . 25059 1 560 . 1 1 53 53 GLU HG3 H 1 2.189 0.015 1 2 . . . . 233 E HG3 . 25059 1 561 . 1 1 53 53 GLU C C 13 175.800 0.150 1 1 . . . . 233 E CO . 25059 1 562 . 1 1 53 53 GLU CA C 13 54.239 0.046 6 1 . . . . 233 E CA . 25059 1 563 . 1 1 53 53 GLU CB C 13 32.544 0.059 4 1 . . . . 233 E CB . 25059 1 564 . 1 1 53 53 GLU CG C 13 35.950 0.002 2 1 . . . . 233 E CG . 25059 1 565 . 1 1 53 53 GLU N N 15 117.687 0.032 11 1 . . . . 233 E N . 25059 1 566 . 1 1 54 54 MET H H 1 9.560 0.005 11 1 . . . . 234 M H . 25059 1 567 . 1 1 54 54 MET HA H 1 5.098 0.015 2 1 . . . . 234 M HA . 25059 1 568 . 1 1 54 54 MET HB2 H 1 1.801 0.015 1 2 . . . . 234 M HB2 . 25059 1 569 . 1 1 54 54 MET HB3 H 1 2.244 0.015 1 2 . . . . 234 M HB3 . 25059 1 570 . 1 1 54 54 MET HG2 H 1 2.296 0.015 1 2 . . . . 234 M HG2 . 25059 1 571 . 1 1 54 54 MET HG3 H 1 2.476 0.015 1 2 . . . . 234 M HG3 . 25059 1 572 . 1 1 54 54 MET C C 13 175.525 0.150 1 1 . . . . 234 M CO . 25059 1 573 . 1 1 54 54 MET CA C 13 55.825 0.078 7 1 . . . . 234 M CA . 25059 1 574 . 1 1 54 54 MET CB C 13 33.568 0.030 5 1 . . . . 234 M CB . 25059 1 575 . 1 1 54 54 MET CG C 13 32.285 0.150 2 1 . . . . 234 M CG . 25059 1 576 . 1 1 54 54 MET N N 15 128.540 0.035 11 1 . . . . 234 M N . 25059 1 577 . 1 1 55 55 THR H H 1 8.814 0.004 11 1 . . . . 235 T H . 25059 1 578 . 1 1 55 55 THR HA H 1 4.564 0.015 1 1 . . . . 235 T HA . 25059 1 579 . 1 1 55 55 THR HB H 1 4.213 0.001 2 1 . . . . 235 T HB . 25059 1 580 . 1 1 55 55 THR HG21 H 1 1.119 0.001 2 1 . . . . 235 T HG21 . 25059 1 581 . 1 1 55 55 THR HG22 H 1 1.119 0.001 2 1 . . . . 235 T HG22 . 25059 1 582 . 1 1 55 55 THR HG23 H 1 1.119 0.001 2 1 . . . . 235 T HG23 . 25059 1 583 . 1 1 55 55 THR C C 13 171.588 0.150 1 1 . . . . 235 T CO . 25059 1 584 . 1 1 55 55 THR CA C 13 59.668 0.075 6 1 . . . . 235 T CA . 25059 1 585 . 1 1 55 55 THR CB C 13 70.374 0.057 5 1 . . . . 235 T CB . 25059 1 586 . 1 1 55 55 THR CG2 C 13 20.808 0.026 2 1 . . . . 235 T CG2 . 25059 1 587 . 1 1 55 55 THR N N 15 121.771 0.028 11 1 . . . . 235 T N . 25059 1 588 . 1 1 56 56 TYR H H 1 8.380 0.002 11 1 . . . . 236 Y H . 25059 1 589 . 1 1 56 56 TYR HA H 1 4.928 0.009 2 1 . . . . 236 Y HA . 25059 1 590 . 1 1 56 56 TYR HB2 H 1 2.582 0.008 2 2 . . . . 236 Y HB2 . 25059 1 591 . 1 1 56 56 TYR HB3 H 1 2.657 0.001 2 2 . . . . 236 Y HB3 . 25059 1 592 . 1 1 56 56 TYR C C 13 175.979 0.150 1 1 . . . . 236 Y CO . 25059 1 593 . 1 1 56 56 TYR CA C 13 57.082 0.066 7 1 . . . . 236 Y CA . 25059 1 594 . 1 1 56 56 TYR CB C 13 40.102 0.024 7 1 . . . . 236 Y CB . 25059 1 595 . 1 1 56 56 TYR N N 15 118.027 0.027 11 1 . . . . 236 Y N . 25059 1 596 . 1 1 57 57 ASP H H 1 8.894 0.004 11 1 . . . . 237 D H . 25059 1 597 . 1 1 57 57 ASP HA H 1 4.518 0.002 2 1 . . . . 237 D HA . 25059 1 598 . 1 1 57 57 ASP HB2 H 1 2.564 0.015 1 2 . . . . 237 D HB2 . 25059 1 599 . 1 1 57 57 ASP HB3 H 1 3.030 0.015 1 2 . . . . 237 D HB3 . 25059 1 600 . 1 1 57 57 ASP C C 13 177.739 0.150 1 1 . . . . 237 D CO . 25059 1 601 . 1 1 57 57 ASP CA C 13 54.331 0.091 7 1 . . . . 237 D CA . 25059 1 602 . 1 1 57 57 ASP CB C 13 42.832 0.027 5 1 . . . . 237 D CB . 25059 1 603 . 1 1 57 57 ASP N N 15 125.918 0.029 11 1 . . . . 237 D N . 25059 1 604 . 1 1 58 58 ARG H H 1 8.972 0.002 11 1 . . . . 238 R H . 25059 1 605 . 1 1 58 58 ARG HA H 1 4.052 0.002 2 1 . . . . 238 R HA . 25059 1 606 . 1 1 58 58 ARG HB2 H 1 1.929 0.002 2 1 . . . . 238 R QB . 25059 1 607 . 1 1 58 58 ARG HB3 H 1 1.929 0.002 2 1 . . . . 238 R QB . 25059 1 608 . 1 1 58 58 ARG C C 13 177.442 0.150 1 1 . . . . 238 R CO . 25059 1 609 . 1 1 58 58 ARG CA C 13 58.728 0.087 7 1 . . . . 238 R CA . 25059 1 610 . 1 1 58 58 ARG CB C 13 30.055 0.095 5 1 . . . . 238 R CB . 25059 1 611 . 1 1 58 58 ARG N N 15 127.809 0.043 11 1 . . . . 238 R N . 25059 1 612 . 1 1 59 59 ARG H H 1 8.588 0.001 11 1 . . . . 239 R H . 25059 1 613 . 1 1 59 59 ARG HA H 1 4.293 0.003 2 1 . . . . 239 R HA . 25059 1 614 . 1 1 59 59 ARG HB2 H 1 1.971 0.015 1 1 . . . . 239 R QB . 25059 1 615 . 1 1 59 59 ARG HB3 H 1 1.971 0.015 1 1 . . . . 239 R QB . 25059 1 616 . 1 1 59 59 ARG HG3 H 1 1.691 0.015 1 2 . . . . 239 R HG3 . 25059 1 617 . 1 1 59 59 ARG C C 13 178.351 0.150 1 1 . . . . 239 R CO . 25059 1 618 . 1 1 59 59 ARG CA C 13 58.378 0.060 7 1 . . . . 239 R CA . 25059 1 619 . 1 1 59 59 ARG CB C 13 30.748 0.076 4 1 . . . . 239 R CB . 25059 1 620 . 1 1 59 59 ARG CG C 13 27.452 0.150 1 1 . . . . 239 R CG . 25059 1 621 . 1 1 59 59 ARG N N 15 117.644 0.024 11 1 . . . . 239 R N . 25059 1 622 . 1 1 60 60 THR H H 1 8.062 0.007 11 1 . . . . 240 T H . 25059 1 623 . 1 1 60 60 THR HA H 1 4.417 0.002 2 1 . . . . 240 T HA . 25059 1 624 . 1 1 60 60 THR HB H 1 4.302 0.001 2 1 . . . . 240 T HB . 25059 1 625 . 1 1 60 60 THR HG21 H 1 1.132 0.004 2 1 . . . . 240 T HG21 . 25059 1 626 . 1 1 60 60 THR HG22 H 1 1.132 0.004 2 1 . . . . 240 T HG22 . 25059 1 627 . 1 1 60 60 THR HG23 H 1 1.132 0.004 2 1 . . . . 240 T HG23 . 25059 1 628 . 1 1 60 60 THR C C 13 176.540 0.150 1 1 . . . . 240 T CO . 25059 1 629 . 1 1 60 60 THR CA C 13 61.826 0.080 7 1 . . . . 240 T CA . 25059 1 630 . 1 1 60 60 THR CB C 13 71.203 0.072 4 1 . . . . 240 T CB . 25059 1 631 . 1 1 60 60 THR CG2 C 13 21.031 0.046 2 1 . . . . 240 T CG2 . 25059 1 632 . 1 1 60 60 THR N N 15 106.503 0.042 11 1 . . . . 240 T N . 25059 1 633 . 1 1 61 61 GLY H H 1 8.429 0.005 9 1 . . . . 241 G H . 25059 1 634 . 1 1 61 61 GLY HA2 H 1 3.831 0.012 2 2 . . . . 241 G HA2 . 25059 1 635 . 1 1 61 61 GLY HA3 H 1 4.154 0.011 2 2 . . . . 241 G HA3 . 25059 1 636 . 1 1 61 61 GLY C C 13 173.737 0.150 1 1 . . . . 241 G CO . 25059 1 637 . 1 1 61 61 GLY CA C 13 45.859 0.074 9 1 . . . . 241 G CA . 25059 1 638 . 1 1 61 61 GLY N N 15 111.602 0.029 9 1 . . . . 241 G N . 25059 1 639 . 1 1 62 62 LYS H H 1 7.631 0.002 9 1 . . . . 242 K H . 25059 1 640 . 1 1 62 62 LYS HA H 1 4.737 0.015 1 1 . . . . 242 K HA . 25059 1 641 . 1 1 62 62 LYS HB2 H 1 1.691 0.015 1 2 . . . . 242 K HB2 . 25059 1 642 . 1 1 62 62 LYS CA C 13 54.185 0.122 3 1 . . . . 242 K CA . 25059 1 643 . 1 1 62 62 LYS CB C 13 32.562 0.015 2 1 . . . . 242 K CB . 25059 1 644 . 1 1 62 62 LYS N N 15 120.202 0.049 9 1 . . . . 242 K N . 25059 1 645 . 1 1 63 63 PRO HA H 1 4.829 0.015 1 1 . . . . 243 P HA . 25059 1 646 . 1 1 63 63 PRO HB2 H 1 1.784 0.015 1 2 . . . . 243 P HB2 . 25059 1 647 . 1 1 63 63 PRO HG2 H 1 2.106 0.015 1 2 . . . . 243 P HG2 . 25059 1 648 . 1 1 63 63 PRO HG3 H 1 2.224 0.015 1 2 . . . . 243 P HG3 . 25059 1 649 . 1 1 63 63 PRO HD2 H 1 3.814 0.004 2 2 . . . . 243 P HD2 . 25059 1 650 . 1 1 63 63 PRO HD3 H 1 4.041 0.001 2 2 . . . . 243 P HD3 . 25059 1 651 . 1 1 63 63 PRO C C 13 176.077 0.150 1 1 . . . . 243 P CO . 25059 1 652 . 1 1 63 63 PRO CA C 13 62.547 0.038 4 1 . . . . 243 P CA . 25059 1 653 . 1 1 63 63 PRO CB C 13 32.204 0.020 3 1 . . . . 243 P CB . 25059 1 654 . 1 1 63 63 PRO CG C 13 27.387 0.025 2 1 . . . . 243 P CG . 25059 1 655 . 1 1 63 63 PRO CD C 13 50.540 0.022 4 1 . . . . 243 P CD . 25059 1 656 . 1 1 64 64 ILE H H 1 8.894 0.003 11 1 . . . . 244 I H . 25059 1 657 . 1 1 64 64 ILE HA H 1 4.795 0.015 1 1 . . . . 244 I HA . 25059 1 658 . 1 1 64 64 ILE HB H 1 2.100 0.006 2 1 . . . . 244 I HB . 25059 1 659 . 1 1 64 64 ILE HG12 H 1 1.253 0.015 1 1 . . . . 244 I HG12 . 25059 1 660 . 1 1 64 64 ILE HG13 H 1 0.911 0.015 1 1 . . . . 244 I HG13 . 25059 1 661 . 1 1 64 64 ILE HG21 H 1 0.962 0.004 2 1 . . . . 244 I HG21 . 25059 1 662 . 1 1 64 64 ILE HG22 H 1 0.962 0.004 2 1 . . . . 244 I HG22 . 25059 1 663 . 1 1 64 64 ILE HG23 H 1 0.962 0.004 2 1 . . . . 244 I HG23 . 25059 1 664 . 1 1 64 64 ILE HD11 H 1 0.864 0.003 2 1 . . . . 244 I HD11 . 25059 1 665 . 1 1 64 64 ILE HD12 H 1 0.864 0.003 2 1 . . . . 244 I HD12 . 25059 1 666 . 1 1 64 64 ILE HD13 H 1 0.864 0.003 2 1 . . . . 244 I HD13 . 25059 1 667 . 1 1 64 64 ILE C C 13 173.696 0.150 1 1 . . . . 244 I CO . 25059 1 668 . 1 1 64 64 ILE CA C 13 60.180 0.068 6 1 . . . . 244 I CA . 25059 1 669 . 1 1 64 64 ILE CB C 13 42.941 0.101 3 1 . . . . 244 I CB . 25059 1 670 . 1 1 64 64 ILE CG1 C 13 26.175 0.044 2 1 . . . . 244 I CG1 . 25059 1 671 . 1 1 64 64 ILE CG2 C 13 18.669 0.032 2 1 . . . . 244 I CG2 . 25059 1 672 . 1 1 64 64 ILE CD1 C 13 13.767 0.046 2 1 . . . . 244 I CD1 . 25059 1 673 . 1 1 64 64 ILE N N 15 118.592 0.077 11 1 . . . . 244 I N . 25059 1 674 . 1 1 65 65 ALA H H 1 8.786 0.002 9 1 . . . . 245 A H . 25059 1 675 . 1 1 65 65 ALA HA H 1 4.972 0.015 1 1 . . . . 245 A HA . 25059 1 676 . 1 1 65 65 ALA HB1 H 1 0.757 0.006 2 1 . . . . 245 A MB . 25059 1 677 . 1 1 65 65 ALA HB2 H 1 0.757 0.006 2 1 . . . . 245 A MB . 25059 1 678 . 1 1 65 65 ALA HB3 H 1 0.757 0.006 2 1 . . . . 245 A MB . 25059 1 679 . 1 1 65 65 ALA C C 13 175.288 0.150 1 1 . . . . 245 A CO . 25059 1 680 . 1 1 65 65 ALA CA C 13 50.567 0.055 6 1 . . . . 245 A CA . 25059 1 681 . 1 1 65 65 ALA CB C 13 21.478 0.061 5 1 . . . . 245 A CB . 25059 1 682 . 1 1 65 65 ALA N N 15 123.404 0.040 9 1 . . . . 245 A N . 25059 1 683 . 1 1 66 66 SER H H 1 8.909 0.003 11 1 . . . . 246 S H . 25059 1 684 . 1 1 66 66 SER HA H 1 4.827 0.006 2 1 . . . . 246 S HA . 25059 1 685 . 1 1 66 66 SER HB2 H 1 3.800 0.001 2 2 . . . . 246 S HB2 . 25059 1 686 . 1 1 66 66 SER HB3 H 1 3.903 0.001 2 2 . . . . 246 S HB3 . 25059 1 687 . 1 1 66 66 SER C C 13 172.595 0.150 1 1 . . . . 246 S CO . 25059 1 688 . 1 1 66 66 SER CA C 13 56.602 0.089 6 1 . . . . 246 S CA . 25059 1 689 . 1 1 66 66 SER CB C 13 65.871 0.077 6 1 . . . . 246 S CB . 25059 1 690 . 1 1 66 66 SER N N 15 115.043 0.039 11 1 . . . . 246 S N . 25059 1 691 . 1 1 67 67 GLN H H 1 9.305 0.011 9 1 . . . . 247 Q H . 25059 1 692 . 1 1 67 67 GLN HA H 1 4.066 0.003 2 1 . . . . 247 Q HA . 25059 1 693 . 1 1 67 67 GLN HB2 H 1 2.033 0.003 2 2 . . . . 247 Q HB2 . 25059 1 694 . 1 1 67 67 GLN HB3 H 1 2.180 0.015 1 2 . . . . 247 Q HB3 . 25059 1 695 . 1 1 67 67 GLN HG2 H 1 2.364 0.019 2 2 . . . . 247 Q HG2 . 25059 1 696 . 1 1 67 67 GLN HG3 H 1 2.406 0.009 2 2 . . . . 247 Q HG3 . 25059 1 697 . 1 1 67 67 GLN HE21 H 1 6.835 0.001 3 2 . . . . 247 Q HE21 . 25059 1 698 . 1 1 67 67 GLN HE22 H 1 7.671 0.015 1 2 . . . . 247 Q HE22 . 25059 1 699 . 1 1 67 67 GLN C C 13 175.071 0.150 1 1 . . . . 247 Q CO . 25059 1 700 . 1 1 67 67 GLN CA C 13 56.664 0.097 6 1 . . . . 247 Q CA . 25059 1 701 . 1 1 67 67 GLN CB C 13 27.392 0.034 7 1 . . . . 247 Q CB . 25059 1 702 . 1 1 67 67 GLN CG C 13 34.217 0.098 5 1 . . . . 247 Q CG . 25059 1 703 . 1 1 67 67 GLN N N 15 120.256 0.046 9 1 . . . . 247 Q N . 25059 1 704 . 1 1 67 67 GLN NE2 N 15 113.126 0.046 4 1 . . . . 247 Q NE . 25059 1 705 . 1 1 68 68 VAL H H 1 8.391 0.002 10 1 . . . . 248 V H . 25059 1 706 . 1 1 68 68 VAL HA H 1 4.761 0.015 1 1 . . . . 248 V HA . 25059 1 707 . 1 1 68 68 VAL HB H 1 1.893 0.015 1 1 . . . . 248 V HB . 25059 1 708 . 1 1 68 68 VAL HG11 H 1 0.542 0.005 2 1 . . . . 248 V MG1 . 25059 1 709 . 1 1 68 68 VAL HG12 H 1 0.542 0.005 2 1 . . . . 248 V MG1 . 25059 1 710 . 1 1 68 68 VAL HG13 H 1 0.542 0.005 2 1 . . . . 248 V MG1 . 25059 1 711 . 1 1 68 68 VAL HG21 H 1 0.552 0.015 1 1 . . . . 248 V MG2 . 25059 1 712 . 1 1 68 68 VAL HG22 H 1 0.552 0.015 1 1 . . . . 248 V MG2 . 25059 1 713 . 1 1 68 68 VAL HG23 H 1 0.552 0.015 1 1 . . . . 248 V MG2 . 25059 1 714 . 1 1 68 68 VAL C C 13 175.326 0.150 1 1 . . . . 248 V CO . 25059 1 715 . 1 1 68 68 VAL CA C 13 61.806 0.092 4 1 . . . . 248 V CA . 25059 1 716 . 1 1 68 68 VAL CB C 13 32.740 0.074 4 1 . . . . 248 V CB . 25059 1 717 . 1 1 68 68 VAL CG1 C 13 21.350 0.096 2 1 . . . . 248 V CG1 . 25059 1 718 . 1 1 68 68 VAL CG2 C 13 20.856 0.150 1 1 . . . . 248 V CG2 . 25059 1 719 . 1 1 68 68 VAL N N 15 120.616 0.038 10 1 . . . . 248 V N . 25059 1 720 . 1 1 69 69 SER H H 1 9.283 0.006 9 1 . . . . 249 S H . 25059 1 721 . 1 1 69 69 SER HA H 1 4.540 0.015 1 1 . . . . 249 S HA . 25059 1 722 . 1 1 69 69 SER HB2 H 1 3.651 0.002 2 2 . . . . 249 S HB2 . 25059 1 723 . 1 1 69 69 SER HB3 H 1 3.687 0.002 2 2 . . . . 249 S HB3 . 25059 1 724 . 1 1 69 69 SER C C 13 173.373 0.150 1 1 . . . . 249 S CO . 25059 1 725 . 1 1 69 69 SER CA C 13 56.882 0.072 6 1 . . . . 249 S CA . 25059 1 726 . 1 1 69 69 SER CB C 13 65.762 0.079 7 1 . . . . 249 S CB . 25059 1 727 . 1 1 69 69 SER N N 15 120.263 0.047 9 1 . . . . 249 S N . 25059 1 728 . 1 1 70 70 LYS H H 1 9.003 0.002 11 1 . . . . 250 K H . 25059 1 729 . 1 1 70 70 LYS HA H 1 4.711 0.015 1 1 . . . . 250 K HA . 25059 1 730 . 1 1 70 70 LYS HB2 H 1 1.731 0.015 1 2 . . . . 250 K HB2 . 25059 1 731 . 1 1 70 70 LYS HB3 H 1 2.054 0.015 1 2 . . . . 250 K HB3 . 25059 1 732 . 1 1 70 70 LYS HG2 H 1 1.494 0.015 1 2 . . . . 250 K HG2 . 25059 1 733 . 1 1 70 70 LYS HG3 H 1 1.728 0.015 1 2 . . . . 250 K HG3 . 25059 1 734 . 1 1 70 70 LYS HD2 H 1 1.825 0.015 1 1 . . . . 250 K QD . 25059 1 735 . 1 1 70 70 LYS HD3 H 1 1.825 0.015 1 1 . . . . 250 K QD . 25059 1 736 . 1 1 70 70 LYS C C 13 177.058 0.150 1 1 . . . . 250 K CO . 25059 1 737 . 1 1 70 70 LYS CA C 13 57.316 0.076 6 1 . . . . 250 K CA . 25059 1 738 . 1 1 70 70 LYS CB C 13 33.499 0.037 5 1 . . . . 250 K CB . 25059 1 739 . 1 1 70 70 LYS CG C 13 26.099 0.150 2 1 . . . . 250 K CG . 25059 1 740 . 1 1 70 70 LYS CD C 13 29.355 0.150 1 1 . . . . 250 K CD . 25059 1 741 . 1 1 70 70 LYS N N 15 123.168 0.035 11 1 . . . . 250 K N . 25059 1 742 . 1 1 71 71 ILE H H 1 7.998 0.001 11 1 . . . . 251 I H . 25059 1 743 . 1 1 71 71 ILE HA H 1 4.126 0.002 2 1 . . . . 251 I HA . 25059 1 744 . 1 1 71 71 ILE HB H 1 1.729 0.015 1 1 . . . . 251 I HB . 25059 1 745 . 1 1 71 71 ILE HG12 H 1 0.944 0.015 1 1 . . . . 251 I HG12 . 25059 1 746 . 1 1 71 71 ILE HG13 H 1 1.434 0.015 1 1 . . . . 251 I HG13 . 25059 1 747 . 1 1 71 71 ILE HG21 H 1 0.905 0.006 2 1 . . . . 251 I HG21 . 25059 1 748 . 1 1 71 71 ILE HG22 H 1 0.905 0.006 2 1 . . . . 251 I HG22 . 25059 1 749 . 1 1 71 71 ILE HG23 H 1 0.905 0.006 2 1 . . . . 251 I HG23 . 25059 1 750 . 1 1 71 71 ILE HD11 H 1 0.870 0.015 2 1 . . . . 251 I HD11 . 25059 1 751 . 1 1 71 71 ILE HD12 H 1 0.870 0.015 2 1 . . . . 251 I HD12 . 25059 1 752 . 1 1 71 71 ILE HD13 H 1 0.870 0.015 2 1 . . . . 251 I HD13 . 25059 1 753 . 1 1 71 71 ILE C C 13 174.556 0.150 1 1 . . . . 251 I CO . 25059 1 754 . 1 1 71 71 ILE CA C 13 62.046 0.084 7 1 . . . . 251 I CA . 25059 1 755 . 1 1 71 71 ILE CB C 13 38.404 0.044 4 1 . . . . 251 I CB . 25059 1 756 . 1 1 71 71 ILE CG1 C 13 27.877 0.028 2 1 . . . . 251 I CG1 . 25059 1 757 . 1 1 71 71 ILE CG2 C 13 17.437 0.074 2 1 . . . . 251 I CG2 . 25059 1 758 . 1 1 71 71 ILE CD1 C 13 13.721 0.073 2 1 . . . . 251 I CD1 . 25059 1 759 . 1 1 71 71 ILE N N 15 125.680 0.026 11 1 . . . . 251 I N . 25059 1 760 . 1 1 72 72 ALA H H 1 8.001 0.002 11 1 . . . . 252 A H . 25059 1 761 . 1 1 72 72 ALA HA H 1 4.149 0.001 2 1 . . . . 252 A HA . 25059 1 762 . 1 1 72 72 ALA HB1 H 1 1.337 0.001 2 1 . . . . 252 A MB . 25059 1 763 . 1 1 72 72 ALA HB2 H 1 1.337 0.001 2 1 . . . . 252 A MB . 25059 1 764 . 1 1 72 72 ALA HB3 H 1 1.337 0.001 2 1 . . . . 252 A MB . 25059 1 765 . 1 1 72 72 ALA CA C 13 53.709 0.070 4 1 . . . . 252 A CA . 25059 1 766 . 1 1 72 72 ALA CB C 13 20.586 0.087 3 1 . . . . 252 A CB . 25059 1 767 . 1 1 72 72 ALA N N 15 133.925 0.023 11 1 . . . . 252 A N . 25059 1 stop_ save_