data_30635 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30635 _Entry.Title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-10 _Entry.Accession_date 2019-07-10 _Entry.Last_release_date 2019-08-07 _Entry.Original_release_date 2019-08-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30635 stop_ 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 Y. Jiang Y. . . . 30635 2 P. Rossi P. . . . 30635 3 C. Kalodimos C. G. . . 30635 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 30635 'Client Recognition' . 30635 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30635 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 327 30635 '15N chemical shifts' 76 30635 '1H chemical shifts' 506 30635 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 . . 2019-09-11 . original BMRB . 30635 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6PRJ . 30635 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30635 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 . _Citation.Page_last . _Citation.Year . _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 Y. Jiang Y. . . . 30635 1 2 P. Rossi P. . . . 30635 1 3 C. Kalodimos C. G. . . 30635 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30635 _Assembly.ID 1 _Assembly.Name 'Alkaline phosphatase,Chaperone protein DnaJ 2 (E.C.3.1.3.1)' _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 entity_1 1 $entity_1 A A yes . . . . . . 30635 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30635 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQTDLFYTMKAAGSGGSGGS GGSQDLYATLDVPAPIAVVG GKVRAMTLEGPVEVAVPPRT QAGRKLRLKGKGFPGPAGRG DLYLEVRIT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.3.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9128.503 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID APase na 30635 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 1 168 MET . 30635 1 2 169 GLN . 30635 1 3 170 THR . 30635 1 4 171 ASP . 30635 1 5 172 LEU . 30635 1 6 173 PHE . 30635 1 7 174 TYR . 30635 1 8 175 THR . 30635 1 9 176 MET . 30635 1 10 177 LYS . 30635 1 11 178 ALA . 30635 1 12 179 ALA . 30635 1 13 180 GLY . 30635 1 14 181 SER . 30635 1 15 182 GLY . 30635 1 16 183 GLY . 30635 1 17 184 SER . 30635 1 18 185 GLY . 30635 1 19 186 GLY . 30635 1 20 187 SER . 30635 1 21 188 GLY . 30635 1 22 189 GLY . 30635 1 23 190 SER . 30635 1 24 191 GLN . 30635 1 25 192 ASP . 30635 1 26 193 LEU . 30635 1 27 194 TYR . 30635 1 28 195 ALA . 30635 1 29 196 THR . 30635 1 30 197 LEU . 30635 1 31 198 ASP . 30635 1 32 199 VAL . 30635 1 33 200 PRO . 30635 1 34 201 ALA . 30635 1 35 202 PRO . 30635 1 36 203 ILE . 30635 1 37 204 ALA . 30635 1 38 205 VAL . 30635 1 39 206 VAL . 30635 1 40 207 GLY . 30635 1 41 208 GLY . 30635 1 42 209 LYS . 30635 1 43 210 VAL . 30635 1 44 211 ARG . 30635 1 45 212 ALA . 30635 1 46 213 MET . 30635 1 47 214 THR . 30635 1 48 215 LEU . 30635 1 49 216 GLU . 30635 1 50 217 GLY . 30635 1 51 218 PRO . 30635 1 52 219 VAL . 30635 1 53 220 GLU . 30635 1 54 221 VAL . 30635 1 55 222 ALA . 30635 1 56 223 VAL . 30635 1 57 224 PRO . 30635 1 58 225 PRO . 30635 1 59 226 ARG . 30635 1 60 227 THR . 30635 1 61 228 GLN . 30635 1 62 229 ALA . 30635 1 63 230 GLY . 30635 1 64 231 ARG . 30635 1 65 232 LYS . 30635 1 66 233 LEU . 30635 1 67 234 ARG . 30635 1 68 235 LEU . 30635 1 69 236 LYS . 30635 1 70 237 GLY . 30635 1 71 238 LYS . 30635 1 72 239 GLY . 30635 1 73 240 PHE . 30635 1 74 241 PRO . 30635 1 75 242 GLY . 30635 1 76 243 PRO . 30635 1 77 244 ALA . 30635 1 78 245 GLY . 30635 1 79 246 ARG . 30635 1 80 247 GLY . 30635 1 81 248 ASP . 30635 1 82 249 LEU . 30635 1 83 250 TYR . 30635 1 84 251 LEU . 30635 1 85 252 GLU . 30635 1 86 253 VAL . 30635 1 87 254 ARG . 30635 1 88 255 ILE . 30635 1 89 256 THR . 30635 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 30635 1 . GLN 2 2 30635 1 . THR 3 3 30635 1 . ASP 4 4 30635 1 . LEU 5 5 30635 1 . PHE 6 6 30635 1 . TYR 7 7 30635 1 . THR 8 8 30635 1 . MET 9 9 30635 1 . LYS 10 10 30635 1 . ALA 11 11 30635 1 . ALA 12 12 30635 1 . GLY 13 13 30635 1 . SER 14 14 30635 1 . GLY 15 15 30635 1 . GLY 16 16 30635 1 . SER 17 17 30635 1 . GLY 18 18 30635 1 . GLY 19 19 30635 1 . SER 20 20 30635 1 . GLY 21 21 30635 1 . GLY 22 22 30635 1 . SER 23 23 30635 1 . GLN 24 24 30635 1 . ASP 25 25 30635 1 . LEU 26 26 30635 1 . TYR 27 27 30635 1 . ALA 28 28 30635 1 . THR 29 29 30635 1 . LEU 30 30 30635 1 . ASP 31 31 30635 1 . VAL 32 32 30635 1 . PRO 33 33 30635 1 . ALA 34 34 30635 1 . PRO 35 35 30635 1 . ILE 36 36 30635 1 . ALA 37 37 30635 1 . VAL 38 38 30635 1 . VAL 39 39 30635 1 . GLY 40 40 30635 1 . GLY 41 41 30635 1 . LYS 42 42 30635 1 . VAL 43 43 30635 1 . ARG 44 44 30635 1 . ALA 45 45 30635 1 . MET 46 46 30635 1 . THR 47 47 30635 1 . LEU 48 48 30635 1 . GLU 49 49 30635 1 . GLY 50 50 30635 1 . PRO 51 51 30635 1 . VAL 52 52 30635 1 . GLU 53 53 30635 1 . VAL 54 54 30635 1 . ALA 55 55 30635 1 . VAL 56 56 30635 1 . PRO 57 57 30635 1 . PRO 58 58 30635 1 . ARG 59 59 30635 1 . THR 60 60 30635 1 . GLN 61 61 30635 1 . ALA 62 62 30635 1 . GLY 63 63 30635 1 . ARG 64 64 30635 1 . LYS 65 65 30635 1 . LEU 66 66 30635 1 . ARG 67 67 30635 1 . LEU 68 68 30635 1 . LYS 69 69 30635 1 . GLY 70 70 30635 1 . LYS 71 71 30635 1 . GLY 72 72 30635 1 . PHE 73 73 30635 1 . PRO 74 74 30635 1 . GLY 75 75 30635 1 . PRO 76 76 30635 1 . ALA 77 77 30635 1 . GLY 78 78 30635 1 . ARG 79 79 30635 1 . GLY 80 80 30635 1 . ASP 81 81 30635 1 . LEU 82 82 30635 1 . TYR 83 83 30635 1 . LEU 84 84 30635 1 . GLU 85 85 30635 1 . VAL 86 86 30635 1 . ARG 87 87 30635 1 . ILE 88 88 30635 1 . THR 89 89 30635 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 30635 _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 $entity_1 . 83333 organism . 'Escherichia coli (strain K12)' 'E. coli' . . Bacteria . Escherichia coli K12 . . . . . . . . . . 'phoA, b0383, JW0374' . 30635 1 2 1 $entity_1 . 300852 organism . 'Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus 'HB8 / ATCC 27634 / DSM 579' . . . . . . . . . . 'dnaJ2, TTHA1489' . 30635 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 30635 _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 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30635 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30635 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] G-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O' _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 G-CBD2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30635 1 2 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30635 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30635 1 4 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 30635 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 30635 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 30635 1 pH 7 . pH 30635 1 pressure 1 . atm 30635 1 temperature 298 . K 30635 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30635 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 30635 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30635 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30635 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30635 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30635 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30635 _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' . . 30635 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30635 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30635 _Software.ID 4 _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 . . 30635 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30635 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30635 _Software.ID 5 _Software.Type . _Software.Name TopSpin _Software.Version 4.0 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30635 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30635 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30635 _Software.ID 6 _Software.Type . _Software.Name PSVS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30635 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30635 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30635 _Software.ID 7 _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' . . 30635 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30635 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30635 _Software.ID 8 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30635 8 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 30635 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30635 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30635 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 700 . . . 30635 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 30635 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30635 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30635 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30635 1 4 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30635 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30635 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30635 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30635 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30635 1 9 '3D CCH_NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30635 1 10 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30635 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30635 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30635 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30635 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30635 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30635 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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' . . . 30635 1 2 '2D 1H-13C HSQC' . . . 30635 1 3 '3D HNCACB' . . . 30635 1 4 '3D HBHA(CO)NH' . . . 30635 1 5 '3D HNCO' . . . 30635 1 6 '3D H(CCO)NH' . . . 30635 1 7 '3D 1H-15N NOESY' . . . 30635 1 8 '3D 1H-13C NOESY' . . . 30635 1 9 '3D CCH_NOESY' . . . 30635 1 10 '3D CCH-TOCSY' . . . 30635 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 MET HG3 H 1 2.036 0.00 . . . . . . A 168 MET HG3 . 30635 1 2 . 1 1 1 1 MET HE1 H 1 2.061 0.00 . . . . . . A 168 MET HE1 . 30635 1 3 . 1 1 1 1 MET HE2 H 1 2.061 0.00 . . . . . . A 168 MET HE2 . 30635 1 4 . 1 1 1 1 MET HE3 H 1 2.061 0.00 . . . . . . A 168 MET HE3 . 30635 1 5 . 1 1 1 1 MET CB C 13 32.940 0.00 . . . . . . A 168 MET CB . 30635 1 6 . 1 1 1 1 MET CE C 13 16.947 0.00 . . . . . . A 168 MET CE . 30635 1 7 . 1 1 2 2 GLN H H 1 8.547 0.00 . . . . . . A 169 GLN H . 30635 1 8 . 1 1 2 2 GLN HA H 1 4.384 0.00 . . . . . . A 169 GLN HA . 30635 1 9 . 1 1 2 2 GLN HB2 H 1 2.002 0.00 . . . . . . A 169 GLN HB2 . 30635 1 10 . 1 1 2 2 GLN HB3 H 1 2.090 0.02 . . . . . . A 169 GLN HB3 . 30635 1 11 . 1 1 2 2 GLN HG2 H 1 2.340 0.00 . . . . . . A 169 GLN HG2 . 30635 1 12 . 1 1 2 2 GLN C C 13 176.061 0.00 . . . . . . A 169 GLN C . 30635 1 13 . 1 1 2 2 GLN CA C 13 56.182 0.05 . . . . . . A 169 GLN CA . 30635 1 14 . 1 1 2 2 GLN CB C 13 29.362 0.03 . . . . . . A 169 GLN CB . 30635 1 15 . 1 1 2 2 GLN CG C 13 33.872 0.04 . . . . . . A 169 GLN CG . 30635 1 16 . 1 1 2 2 GLN N N 15 122.056 0.03 . . . . . . A 169 GLN N . 30635 1 17 . 1 1 3 3 THR H H 1 8.175 0.00 . . . . . . A 170 THR H . 30635 1 18 . 1 1 3 3 THR HA H 1 4.299 0.01 . . . . . . A 170 THR HA . 30635 1 19 . 1 1 3 3 THR HB H 1 4.241 0.00 . . . . . . A 170 THR HB . 30635 1 20 . 1 1 3 3 THR HG21 H 1 1.182 0.00 . . . . . . A 170 THR HG21 . 30635 1 21 . 1 1 3 3 THR HG22 H 1 1.182 0.00 . . . . . . A 170 THR HG22 . 30635 1 22 . 1 1 3 3 THR HG23 H 1 1.182 0.00 . . . . . . A 170 THR HG23 . 30635 1 23 . 1 1 3 3 THR C C 13 173.666 0.00 . . . . . . A 170 THR C . 30635 1 24 . 1 1 3 3 THR CA C 13 62.108 0.04 . . . . . . A 170 THR CA . 30635 1 25 . 1 1 3 3 THR CB C 13 69.800 0.02 . . . . . . A 170 THR CB . 30635 1 26 . 1 1 3 3 THR CG2 C 13 21.712 0.05 . . . . . . A 170 THR CG2 . 30635 1 27 . 1 1 3 3 THR N N 15 114.933 0.04 . . . . . . A 170 THR N . 30635 1 28 . 1 1 4 4 ASP H H 1 8.352 0.00 . . . . . . A 171 ASP H . 30635 1 29 . 1 1 4 4 ASP HA H 1 4.617 0.00 . . . . . . A 171 ASP HA . 30635 1 30 . 1 1 4 4 ASP HB2 H 1 2.671 0.00 . . . . . . A 171 ASP HB2 . 30635 1 31 . 1 1 4 4 ASP HB3 H 1 2.720 0.00 . . . . . . A 171 ASP HB3 . 30635 1 32 . 1 1 4 4 ASP C C 13 176.295 0.00 . . . . . . A 171 ASP C . 30635 1 33 . 1 1 4 4 ASP CA C 13 54.678 0.02 . . . . . . A 171 ASP CA . 30635 1 34 . 1 1 4 4 ASP CB C 13 41.392 0.10 . . . . . . A 171 ASP CB . 30635 1 35 . 1 1 4 4 ASP N N 15 122.504 0.06 . . . . . . A 171 ASP N . 30635 1 36 . 1 1 5 5 LEU H H 1 8.094 0.00 . . . . . . A 172 LEU H . 30635 1 37 . 1 1 5 5 LEU HA H 1 4.236 0.00 . . . . . . A 172 LEU HA . 30635 1 38 . 1 1 5 5 LEU HB2 H 1 1.475 0.00 . . . . . . A 172 LEU HB2 . 30635 1 39 . 1 1 5 5 LEU HB3 H 1 1.342 0.00 . . . . . . A 172 LEU HB3 . 30635 1 40 . 1 1 5 5 LEU HG H 1 1.499 0.00 . . . . . . A 172 LEU HG . 30635 1 41 . 1 1 5 5 LEU HD11 H 1 0.834 0.00 . . . . . . A 172 LEU HD11 . 30635 1 42 . 1 1 5 5 LEU HD12 H 1 0.834 0.00 . . . . . . A 172 LEU HD12 . 30635 1 43 . 1 1 5 5 LEU HD13 H 1 0.834 0.00 . . . . . . A 172 LEU HD13 . 30635 1 44 . 1 1 5 5 LEU HD21 H 1 0.751 0.01 . . . . . . A 172 LEU HD21 . 30635 1 45 . 1 1 5 5 LEU HD22 H 1 0.751 0.01 . . . . . . A 172 LEU HD22 . 30635 1 46 . 1 1 5 5 LEU HD23 H 1 0.751 0.01 . . . . . . A 172 LEU HD23 . 30635 1 47 . 1 1 5 5 LEU C C 13 177.105 0.00 . . . . . . A 172 LEU C . 30635 1 48 . 1 1 5 5 LEU CA C 13 55.683 0.04 . . . . . . A 172 LEU CA . 30635 1 49 . 1 1 5 5 LEU CB C 13 42.288 0.06 . . . . . . A 172 LEU CB . 30635 1 50 . 1 1 5 5 LEU CG C 13 26.917 0.05 . . . . . . A 172 LEU CG . 30635 1 51 . 1 1 5 5 LEU CD1 C 13 24.994 0.04 . . . . . . A 172 LEU CD1 . 30635 1 52 . 1 1 5 5 LEU CD2 C 13 23.610 0.08 . . . . . . A 172 LEU CD2 . 30635 1 53 . 1 1 5 5 LEU N N 15 122.117 0.03 . . . . . . A 172 LEU N . 30635 1 54 . 1 1 6 6 PHE H H 1 8.123 0.00 . . . . . . A 173 PHE H . 30635 1 55 . 1 1 6 6 PHE HA H 1 4.566 0.01 . . . . . . A 173 PHE HA . 30635 1 56 . 1 1 6 6 PHE HB2 H 1 3.025 0.01 . . . . . . A 173 PHE HB2 . 30635 1 57 . 1 1 6 6 PHE HB3 H 1 2.988 0.00 . . . . . . A 173 PHE HB3 . 30635 1 58 . 1 1 6 6 PHE HD1 H 1 7.218 0.00 . . . . . . A 173 PHE HD1 . 30635 1 59 . 1 1 6 6 PHE HD2 H 1 7.219 0.00 . . . . . . A 173 PHE HD2 . 30635 1 60 . 1 1 6 6 PHE HE1 H 1 7.270 0.00 . . . . . . A 173 PHE HE1 . 30635 1 61 . 1 1 6 6 PHE HE2 H 1 7.273 0.00 . . . . . . A 173 PHE HE2 . 30635 1 62 . 1 1 6 6 PHE HZ H 1 7.101 0.00 . . . . . . A 173 PHE HZ . 30635 1 63 . 1 1 6 6 PHE C C 13 175.754 0.00 . . . . . . A 173 PHE C . 30635 1 64 . 1 1 6 6 PHE CA C 13 58.208 0.00 . . . . . . A 173 PHE CA . 30635 1 65 . 1 1 6 6 PHE CB C 13 39.546 0.04 . . . . . . A 173 PHE CB . 30635 1 66 . 1 1 6 6 PHE CD1 C 13 129.816 0.00 . . . . . . A 173 PHE CD1 . 30635 1 67 . 1 1 6 6 PHE CD2 C 13 129.878 0.04 . . . . . . A 173 PHE CD2 . 30635 1 68 . 1 1 6 6 PHE CE1 C 13 131.269 0.00 . . . . . . A 173 PHE CE1 . 30635 1 69 . 1 1 6 6 PHE CE2 C 13 131.270 0.00 . . . . . . A 173 PHE CE2 . 30635 1 70 . 1 1 6 6 PHE CZ C 13 131.940 0.00 . . . . . . A 173 PHE CZ . 30635 1 71 . 1 1 6 6 PHE N N 15 119.374 0.04 . . . . . . A 173 PHE N . 30635 1 72 . 1 1 7 7 TYR H H 1 8.050 0.01 . . . . . . A 174 TYR H . 30635 1 73 . 1 1 7 7 TYR HB2 H 1 3.045 0.00 . . . . . . A 174 TYR HB2 . 30635 1 74 . 1 1 7 7 TYR HB3 H 1 2.972 0.00 . . . . . . A 174 TYR HB3 . 30635 1 75 . 1 1 7 7 TYR HD1 H 1 7.090 0.00 . . . . . . A 174 TYR HD1 . 30635 1 76 . 1 1 7 7 TYR HD2 H 1 7.085 0.00 . . . . . . A 174 TYR HD2 . 30635 1 77 . 1 1 7 7 TYR HE1 H 1 6.793 0.03 . . . . . . A 174 TYR HE1 . 30635 1 78 . 1 1 7 7 TYR HE2 H 1 6.803 0.00 . . . . . . A 174 TYR HE2 . 30635 1 79 . 1 1 7 7 TYR C C 13 174.423 0.00 . . . . . . A 174 TYR C . 30635 1 80 . 1 1 7 7 TYR CA C 13 58.410 0.04 . . . . . . A 174 TYR CA . 30635 1 81 . 1 1 7 7 TYR CB C 13 38.991 0.05 . . . . . . A 174 TYR CB . 30635 1 82 . 1 1 7 7 TYR CD1 C 13 133.270 0.02 . . . . . . A 174 TYR CD1 . 30635 1 83 . 1 1 7 7 TYR CD2 C 13 133.352 0.00 . . . . . . A 174 TYR CD2 . 30635 1 84 . 1 1 7 7 TYR CE1 C 13 118.359 0.05 . . . . . . A 174 TYR CE1 . 30635 1 85 . 1 1 7 7 TYR CE2 C 13 118.259 0.07 . . . . . . A 174 TYR CE2 . 30635 1 86 . 1 1 7 7 TYR N N 15 120.132 0.07 . . . . . . A 174 TYR N . 30635 1 87 . 1 1 8 8 THR H H 1 8.266 0.00 . . . . . . A 175 THR H . 30635 1 88 . 1 1 8 8 THR HB H 1 4.208 0.02 . . . . . . A 175 THR HB . 30635 1 89 . 1 1 8 8 THR HG21 H 1 1.186 0.01 . . . . . . A 175 THR HG21 . 30635 1 90 . 1 1 8 8 THR HG22 H 1 1.186 0.01 . . . . . . A 175 THR HG22 . 30635 1 91 . 1 1 8 8 THR HG23 H 1 1.186 0.01 . . . . . . A 175 THR HG23 . 30635 1 92 . 1 1 8 8 THR CA C 13 62.185 0.06 . . . . . . A 175 THR CA . 30635 1 93 . 1 1 8 8 THR CB C 13 69.940 0.03 . . . . . . A 175 THR CB . 30635 1 94 . 1 1 8 8 THR CG2 C 13 21.693 0.02 . . . . . . A 175 THR CG2 . 30635 1 95 . 1 1 8 8 THR N N 15 115.668 0.00 . . . . . . A 175 THR N . 30635 1 96 . 1 1 9 9 MET H H 1 8.241 0.01 . . . . . . A 176 MET H . 30635 1 97 . 1 1 9 9 MET HA H 1 4.434 0.01 . . . . . . A 176 MET HA . 30635 1 98 . 1 1 9 9 MET HB2 H 1 2.029 0.00 . . . . . . A 176 MET HB2 . 30635 1 99 . 1 1 9 9 MET HB3 H 1 1.967 0.01 . . . . . . A 176 MET HB3 . 30635 1 100 . 1 1 9 9 MET HE1 H 1 2.026 0.00 . . . . . . A 176 MET HE1 . 30635 1 101 . 1 1 9 9 MET HE2 H 1 2.026 0.00 . . . . . . A 176 MET HE2 . 30635 1 102 . 1 1 9 9 MET HE3 H 1 2.026 0.00 . . . . . . A 176 MET HE3 . 30635 1 103 . 1 1 9 9 MET CA C 13 55.576 0.02 . . . . . . A 176 MET CA . 30635 1 104 . 1 1 9 9 MET CB C 13 32.933 0.04 . . . . . . A 176 MET CB . 30635 1 105 . 1 1 9 9 MET CE C 13 17.045 0.00 . . . . . . A 176 MET CE . 30635 1 106 . 1 1 9 9 MET N N 15 122.161 0.04 . . . . . . A 176 MET N . 30635 1 107 . 1 1 10 10 LYS H H 1 8.239 0.00 . . . . . . A 177 LYS H . 30635 1 108 . 1 1 10 10 LYS HA H 1 4.254 0.00 . . . . . . A 177 LYS HA . 30635 1 109 . 1 1 10 10 LYS HB2 H 1 1.774 0.01 . . . . . . A 177 LYS HB2 . 30635 1 110 . 1 1 10 10 LYS HB3 H 1 1.693 0.01 . . . . . . A 177 LYS HB3 . 30635 1 111 . 1 1 10 10 LYS HG2 H 1 1.370 0.01 . . . . . . A 177 LYS HG2 . 30635 1 112 . 1 1 10 10 LYS HD2 H 1 1.611 0.00 . . . . . . A 177 LYS HD2 . 30635 1 113 . 1 1 10 10 LYS HD3 H 1 1.628 0.01 . . . . . . A 177 LYS HD3 . 30635 1 114 . 1 1 10 10 LYS HE2 H 1 2.926 0.00 . . . . . . A 177 LYS HE2 . 30635 1 115 . 1 1 10 10 LYS C C 13 176.289 0.00 . . . . . . A 177 LYS C . 30635 1 116 . 1 1 10 10 LYS CA C 13 56.410 0.04 . . . . . . A 177 LYS CA . 30635 1 117 . 1 1 10 10 LYS CB C 13 33.098 0.04 . . . . . . A 177 LYS CB . 30635 1 118 . 1 1 10 10 LYS CG C 13 24.713 0.03 . . . . . . A 177 LYS CG . 30635 1 119 . 1 1 10 10 LYS CD C 13 29.047 0.13 . . . . . . A 177 LYS CD . 30635 1 120 . 1 1 10 10 LYS CE C 13 42.100 0.02 . . . . . . A 177 LYS CE . 30635 1 121 . 1 1 10 10 LYS N N 15 122.390 0.01 . . . . . . A 177 LYS N . 30635 1 122 . 1 1 11 11 ALA H H 1 8.272 0.00 . . . . . . A 178 ALA H . 30635 1 123 . 1 1 11 11 ALA HA H 1 4.270 0.00 . . . . . . A 178 ALA HA . 30635 1 124 . 1 1 11 11 ALA HB1 H 1 1.361 0.01 . . . . . . A 178 ALA HB1 . 30635 1 125 . 1 1 11 11 ALA HB2 H 1 1.361 0.01 . . . . . . A 178 ALA HB2 . 30635 1 126 . 1 1 11 11 ALA HB3 H 1 1.361 0.01 . . . . . . A 178 ALA HB3 . 30635 1 127 . 1 1 11 11 ALA CA C 13 52.452 0.04 . . . . . . A 178 ALA CA . 30635 1 128 . 1 1 11 11 ALA CB C 13 19.218 0.04 . . . . . . A 178 ALA CB . 30635 1 129 . 1 1 11 11 ALA N N 15 125.057 0.03 . . . . . . A 178 ALA N . 30635 1 130 . 1 1 12 12 ALA H H 1 8.287 0.00 . . . . . . A 179 ALA H . 30635 1 131 . 1 1 12 12 ALA HA H 1 4.289 0.00 . . . . . . A 179 ALA HA . 30635 1 132 . 1 1 12 12 ALA HB1 H 1 1.389 0.00 . . . . . . A 179 ALA HB1 . 30635 1 133 . 1 1 12 12 ALA HB2 H 1 1.389 0.00 . . . . . . A 179 ALA HB2 . 30635 1 134 . 1 1 12 12 ALA HB3 H 1 1.389 0.00 . . . . . . A 179 ALA HB3 . 30635 1 135 . 1 1 12 12 ALA C C 13 178.356 0.00 . . . . . . A 179 ALA C . 30635 1 136 . 1 1 12 12 ALA CA C 13 52.733 0.05 . . . . . . A 179 ALA CA . 30635 1 137 . 1 1 12 12 ALA CB C 13 19.248 0.02 . . . . . . A 179 ALA CB . 30635 1 138 . 1 1 12 12 ALA N N 15 123.485 0.02 . . . . . . A 179 ALA N . 30635 1 139 . 1 1 13 13 GLY H H 1 8.343 0.00 . . . . . . A 180 GLY H . 30635 1 140 . 1 1 13 13 GLY HA2 H 1 3.994 0.00 . . . . . . A 180 GLY HA2 . 30635 1 141 . 1 1 13 13 GLY CA C 13 45.376 0.07 . . . . . . A 180 GLY CA . 30635 1 142 . 1 1 13 13 GLY N N 15 108.092 0.05 . . . . . . A 180 GLY N . 30635 1 143 . 1 1 14 14 SER H H 1 8.268 0.00 . . . . . . A 181 SER H . 30635 1 144 . 1 1 14 14 SER HA H 1 4.472 0.00 . . . . . . A 181 SER HA . 30635 1 145 . 1 1 14 14 SER HB3 H 1 3.918 0.00 . . . . . . A 181 SER HB3 . 30635 1 146 . 1 1 14 14 SER CA C 13 58.540 0.04 . . . . . . A 181 SER CA . 30635 1 147 . 1 1 14 14 SER CB C 13 63.952 0.00 . . . . . . A 181 SER CB . 30635 1 148 . 1 1 14 14 SER N N 15 108.743 0.00 . . . . . . A 181 SER N . 30635 1 149 . 1 1 16 16 GLY HA2 H 1 3.791 0.01 . . . . . . A 183 GLY HA2 . 30635 1 150 . 1 1 16 16 GLY HA3 H 1 3.775 0.00 . . . . . . A 183 GLY HA3 . 30635 1 151 . 1 1 16 16 GLY CA C 13 43.673 0.01 . . . . . . A 183 GLY CA . 30635 1 152 . 1 1 17 17 SER H H 1 8.519 0.00 . . . . . . A 184 SER H . 30635 1 153 . 1 1 17 17 SER HA H 1 4.494 0.00 . . . . . . A 184 SER HA . 30635 1 154 . 1 1 17 17 SER HB2 H 1 3.864 0.00 . . . . . . A 184 SER HB2 . 30635 1 155 . 1 1 17 17 SER HB3 H 1 3.913 0.00 . . . . . . A 184 SER HB3 . 30635 1 156 . 1 1 17 17 SER CA C 13 58.476 0.02 . . . . . . A 184 SER CA . 30635 1 157 . 1 1 17 17 SER CB C 13 63.958 0.02 . . . . . . A 184 SER CB . 30635 1 158 . 1 1 17 17 SER N N 15 120.155 0.00 . . . . . . A 184 SER N . 30635 1 159 . 1 1 18 18 GLY HA3 H 1 4.752 0.00 . . . . . . A 185 GLY HA3 . 30635 1 160 . 1 1 18 18 GLY CA C 13 45.384 0.00 . . . . . . A 185 GLY CA . 30635 1 161 . 1 1 19 19 GLY C C 13 175.711 0.00 . . . . . . A 186 GLY C . 30635 1 162 . 1 1 20 20 SER H H 1 8.514 0.00 . . . . . . A 187 SER H . 30635 1 163 . 1 1 20 20 SER C C 13 178.392 0.00 . . . . . . A 187 SER C . 30635 1 164 . 1 1 20 20 SER N N 15 120.285 0.00 . . . . . . A 187 SER N . 30635 1 165 . 1 1 21 21 GLY H H 1 8.127 0.00 . . . . . . A 188 GLY H . 30635 1 166 . 1 1 21 21 GLY HA2 H 1 3.997 0.00 . . . . . . A 188 GLY HA2 . 30635 1 167 . 1 1 21 21 GLY HA3 H 1 3.983 0.00 . . . . . . A 188 GLY HA3 . 30635 1 168 . 1 1 21 21 GLY C C 13 174.699 0.00 . . . . . . A 188 GLY C . 30635 1 169 . 1 1 21 21 GLY CA C 13 45.364 0.01 . . . . . . A 188 GLY CA . 30635 1 170 . 1 1 21 21 GLY N N 15 107.973 0.00 . . . . . . A 188 GLY N . 30635 1 171 . 1 1 22 22 GLY H H 1 8.265 0.00 . . . . . . A 189 GLY H . 30635 1 172 . 1 1 22 22 GLY HA2 H 1 4.027 0.00 . . . . . . A 189 GLY HA2 . 30635 1 173 . 1 1 22 22 GLY CA C 13 45.406 0.06 . . . . . . A 189 GLY CA . 30635 1 174 . 1 1 22 22 GLY N N 15 108.779 0.06 . . . . . . A 189 GLY N . 30635 1 175 . 1 1 23 23 SER H H 1 7.568 0.00 . . . . . . A 190 SER H . 30635 1 176 . 1 1 23 23 SER HA H 1 4.505 0.00 . . . . . . A 190 SER HA . 30635 1 177 . 1 1 23 23 SER HB3 H 1 3.971 0.00 . . . . . . A 190 SER HB3 . 30635 1 178 . 1 1 23 23 SER C C 13 174.900 0.00 . . . . . . A 190 SER C . 30635 1 179 . 1 1 23 23 SER CA C 13 59.071 0.00 . . . . . . A 190 SER CA . 30635 1 180 . 1 1 23 23 SER CB C 13 63.787 0.00 . . . . . . A 190 SER CB . 30635 1 181 . 1 1 23 23 SER N N 15 116.888 0.00 . . . . . . A 190 SER N . 30635 1 182 . 1 1 24 24 GLN H H 1 8.697 0.00 . . . . . . A 191 GLN H . 30635 1 183 . 1 1 24 24 GLN HA H 1 4.638 0.00 . . . . . . A 191 GLN HA . 30635 1 184 . 1 1 24 24 GLN HB2 H 1 2.464 0.00 . . . . . . A 191 GLN HB2 . 30635 1 185 . 1 1 24 24 GLN HG2 H 1 2.353 0.00 . . . . . . A 191 GLN HG2 . 30635 1 186 . 1 1 24 24 GLN HG3 H 1 2.428 0.00 . . . . . . A 191 GLN HG3 . 30635 1 187 . 1 1 24 24 GLN CA C 13 56.229 0.04 . . . . . . A 191 GLN CA . 30635 1 188 . 1 1 24 24 GLN CB C 13 29.468 0.03 . . . . . . A 191 GLN CB . 30635 1 189 . 1 1 24 24 GLN CG C 13 34.695 0.03 . . . . . . A 191 GLN CG . 30635 1 190 . 1 1 24 24 GLN N N 15 120.755 0.04 . . . . . . A 191 GLN N . 30635 1 191 . 1 1 25 25 ASP H H 1 8.096 0.00 . . . . . . A 192 ASP H . 30635 1 192 . 1 1 25 25 ASP HA H 1 5.455 0.01 . . . . . . A 192 ASP HA . 30635 1 193 . 1 1 25 25 ASP C C 13 175.086 0.00 . . . . . . A 192 ASP C . 30635 1 194 . 1 1 25 25 ASP CA C 13 54.258 0.01 . . . . . . A 192 ASP CA . 30635 1 195 . 1 1 25 25 ASP CB C 13 42.000 0.00 . . . . . . A 192 ASP CB . 30635 1 196 . 1 1 25 25 ASP N N 15 122.261 0.02 . . . . . . A 192 ASP N . 30635 1 197 . 1 1 26 26 LEU H H 1 8.096 0.00 . . . . . . A 193 LEU H . 30635 1 198 . 1 1 26 26 LEU HB2 H 1 1.440 0.00 . . . . . . A 193 LEU HB2 . 30635 1 199 . 1 1 26 26 LEU HB3 H 1 1.233 0.00 . . . . . . A 193 LEU HB3 . 30635 1 200 . 1 1 26 26 LEU HD11 H 1 0.691 0.01 . . . . . . A 193 LEU HD11 . 30635 1 201 . 1 1 26 26 LEU HD12 H 1 0.691 0.01 . . . . . . A 193 LEU HD12 . 30635 1 202 . 1 1 26 26 LEU HD13 H 1 0.691 0.01 . . . . . . A 193 LEU HD13 . 30635 1 203 . 1 1 26 26 LEU HD21 H 1 0.546 0.00 . . . . . . A 193 LEU HD21 . 30635 1 204 . 1 1 26 26 LEU HD22 H 1 0.546 0.00 . . . . . . A 193 LEU HD22 . 30635 1 205 . 1 1 26 26 LEU HD23 H 1 0.546 0.00 . . . . . . A 193 LEU HD23 . 30635 1 206 . 1 1 26 26 LEU CA C 13 56.324 0.00 . . . . . . A 193 LEU CA . 30635 1 207 . 1 1 26 26 LEU CB C 13 46.916 0.01 . . . . . . A 193 LEU CB . 30635 1 208 . 1 1 26 26 LEU CD1 C 13 24.858 0.02 . . . . . . A 193 LEU CD1 . 30635 1 209 . 1 1 26 26 LEU CD2 C 13 24.465 0.01 . . . . . . A 193 LEU CD2 . 30635 1 210 . 1 1 26 26 LEU N N 15 122.343 0.01 . . . . . . A 193 LEU N . 30635 1 211 . 1 1 27 27 TYR HA H 1 5.500 0.00 . . . . . . A 194 TYR HA . 30635 1 212 . 1 1 27 27 TYR HB2 H 1 2.977 0.00 . . . . . . A 194 TYR HB2 . 30635 1 213 . 1 1 27 27 TYR HB3 H 1 2.815 0.00 . . . . . . A 194 TYR HB3 . 30635 1 214 . 1 1 27 27 TYR HD1 H 1 7.089 0.00 . . . . . . A 194 TYR HD1 . 30635 1 215 . 1 1 27 27 TYR HD2 H 1 7.086 0.00 . . . . . . A 194 TYR HD2 . 30635 1 216 . 1 1 27 27 TYR HE1 H 1 6.450 0.00 . . . . . . A 194 TYR HE1 . 30635 1 217 . 1 1 27 27 TYR HE2 H 1 6.446 0.00 . . . . . . A 194 TYR HE2 . 30635 1 218 . 1 1 27 27 TYR CA C 13 56.998 0.02 . . . . . . A 194 TYR CA . 30635 1 219 . 1 1 27 27 TYR CB C 13 40.741 0.01 . . . . . . A 194 TYR CB . 30635 1 220 . 1 1 27 27 TYR CD1 C 13 133.450 0.04 . . . . . . A 194 TYR CD1 . 30635 1 221 . 1 1 27 27 TYR CD2 C 13 133.349 0.02 . . . . . . A 194 TYR CD2 . 30635 1 222 . 1 1 27 27 TYR CE1 C 13 117.620 0.04 . . . . . . A 194 TYR CE1 . 30635 1 223 . 1 1 27 27 TYR CE2 C 13 117.686 0.00 . . . . . . A 194 TYR CE2 . 30635 1 224 . 1 1 28 28 ALA H H 1 8.933 0.00 . . . . . . A 195 ALA H . 30635 1 225 . 1 1 28 28 ALA HB1 H 1 1.487 0.00 . . . . . . A 195 ALA HB1 . 30635 1 226 . 1 1 28 28 ALA HB2 H 1 1.487 0.00 . . . . . . A 195 ALA HB2 . 30635 1 227 . 1 1 28 28 ALA HB3 H 1 1.487 0.00 . . . . . . A 195 ALA HB3 . 30635 1 228 . 1 1 28 28 ALA C C 13 177.049 0.00 . . . . . . A 195 ALA C . 30635 1 229 . 1 1 28 28 ALA CA C 13 51.042 0.01 . . . . . . A 195 ALA CA . 30635 1 230 . 1 1 28 28 ALA CB C 13 22.933 0.05 . . . . . . A 195 ALA CB . 30635 1 231 . 1 1 28 28 ALA N N 15 124.518 0.07 . . . . . . A 195 ALA N . 30635 1 232 . 1 1 29 29 THR H H 1 8.285 0.00 . . . . . . A 196 THR H . 30635 1 233 . 1 1 29 29 THR HA H 1 4.998 0.00 . . . . . . A 196 THR HA . 30635 1 234 . 1 1 29 29 THR HB H 1 4.034 0.00 . . . . . . A 196 THR HB . 30635 1 235 . 1 1 29 29 THR HG21 H 1 1.203 0.00 . . . . . . A 196 THR HG21 . 30635 1 236 . 1 1 29 29 THR HG22 H 1 1.203 0.00 . . . . . . A 196 THR HG22 . 30635 1 237 . 1 1 29 29 THR HG23 H 1 1.203 0.00 . . . . . . A 196 THR HG23 . 30635 1 238 . 1 1 29 29 THR C C 13 172.977 0.00 . . . . . . A 196 THR C . 30635 1 239 . 1 1 29 29 THR CA C 13 62.033 0.03 . . . . . . A 196 THR CA . 30635 1 240 . 1 1 29 29 THR CB C 13 70.930 0.04 . . . . . . A 196 THR CB . 30635 1 241 . 1 1 29 29 THR CG2 C 13 22.425 0.04 . . . . . . A 196 THR CG2 . 30635 1 242 . 1 1 29 29 THR N N 15 123.625 0.00 . . . . . . A 196 THR N . 30635 1 243 . 1 1 30 30 LEU H H 1 8.735 0.00 . . . . . . A 197 LEU H . 30635 1 244 . 1 1 30 30 LEU HA H 1 4.671 0.00 . . . . . . A 197 LEU HA . 30635 1 245 . 1 1 30 30 LEU HB2 H 1 1.563 0.00 . . . . . . A 197 LEU HB2 . 30635 1 246 . 1 1 30 30 LEU HB3 H 1 1.183 0.00 . . . . . . A 197 LEU HB3 . 30635 1 247 . 1 1 30 30 LEU HG H 1 1.287 0.00 . . . . . . A 197 LEU HG . 30635 1 248 . 1 1 30 30 LEU HD11 H 1 0.575 0.00 . . . . . . A 197 LEU HD11 . 30635 1 249 . 1 1 30 30 LEU HD12 H 1 0.575 0.00 . . . . . . A 197 LEU HD12 . 30635 1 250 . 1 1 30 30 LEU HD13 H 1 0.575 0.00 . . . . . . A 197 LEU HD13 . 30635 1 251 . 1 1 30 30 LEU HD21 H 1 0.917 0.00 . . . . . . A 197 LEU HD21 . 30635 1 252 . 1 1 30 30 LEU HD22 H 1 0.917 0.00 . . . . . . A 197 LEU HD22 . 30635 1 253 . 1 1 30 30 LEU HD23 H 1 0.917 0.00 . . . . . . A 197 LEU HD23 . 30635 1 254 . 1 1 30 30 LEU C C 13 173.586 0.00 . . . . . . A 197 LEU C . 30635 1 255 . 1 1 30 30 LEU CA C 13 53.117 0.04 . . . . . . A 197 LEU CA . 30635 1 256 . 1 1 30 30 LEU CB C 13 47.182 0.05 . . . . . . A 197 LEU CB . 30635 1 257 . 1 1 30 30 LEU CG C 13 26.748 0.00 . . . . . . A 197 LEU CG . 30635 1 258 . 1 1 30 30 LEU CD1 C 13 26.480 0.02 . . . . . . A 197 LEU CD1 . 30635 1 259 . 1 1 30 30 LEU CD2 C 13 23.678 0.03 . . . . . . A 197 LEU CD2 . 30635 1 260 . 1 1 30 30 LEU N N 15 126.696 0.05 . . . . . . A 197 LEU N . 30635 1 261 . 1 1 31 31 ASP H H 1 8.623 0.00 . . . . . . A 198 ASP H . 30635 1 262 . 1 1 31 31 ASP HA H 1 5.189 0.01 . . . . . . A 198 ASP HA . 30635 1 263 . 1 1 31 31 ASP HB2 H 1 2.619 0.00 . . . . . . A 198 ASP HB2 . 30635 1 264 . 1 1 31 31 ASP HB3 H 1 2.510 0.00 . . . . . . A 198 ASP HB3 . 30635 1 265 . 1 1 31 31 ASP C C 13 175.801 0.00 . . . . . . A 198 ASP C . 30635 1 266 . 1 1 31 31 ASP CA C 13 54.171 0.04 . . . . . . A 198 ASP CA . 30635 1 267 . 1 1 31 31 ASP CB C 13 40.758 0.04 . . . . . . A 198 ASP CB . 30635 1 268 . 1 1 31 31 ASP N N 15 129.715 0.05 . . . . . . A 198 ASP N . 30635 1 269 . 1 1 32 32 VAL H H 1 9.248 0.00 . . . . . . A 199 VAL H . 30635 1 270 . 1 1 32 32 VAL HA H 1 4.507 0.01 . . . . . . A 199 VAL HA . 30635 1 271 . 1 1 32 32 VAL HG11 H 1 0.859 0.01 . . . . . . A 199 VAL HG11 . 30635 1 272 . 1 1 32 32 VAL HG12 H 1 0.859 0.01 . . . . . . A 199 VAL HG12 . 30635 1 273 . 1 1 32 32 VAL HG13 H 1 0.859 0.01 . . . . . . A 199 VAL HG13 . 30635 1 274 . 1 1 32 32 VAL HG21 H 1 0.810 0.00 . . . . . . A 199 VAL HG21 . 30635 1 275 . 1 1 32 32 VAL HG22 H 1 0.810 0.00 . . . . . . A 199 VAL HG22 . 30635 1 276 . 1 1 32 32 VAL HG23 H 1 0.810 0.00 . . . . . . A 199 VAL HG23 . 30635 1 277 . 1 1 32 32 VAL CA C 13 58.722 0.14 . . . . . . A 199 VAL CA . 30635 1 278 . 1 1 32 32 VAL CB C 13 34.974 0.04 . . . . . . A 199 VAL CB . 30635 1 279 . 1 1 32 32 VAL CG1 C 13 23.078 0.10 . . . . . . A 199 VAL CG1 . 30635 1 280 . 1 1 32 32 VAL CG2 C 13 21.864 0.04 . . . . . . A 199 VAL CG2 . 30635 1 281 . 1 1 32 32 VAL N N 15 124.819 0.04 . . . . . . A 199 VAL N . 30635 1 282 . 1 1 33 33 PRO HB2 H 1 2.488 0.00 . . . . . . A 200 PRO HB2 . 30635 1 283 . 1 1 33 33 PRO HB3 H 1 1.781 0.00 . . . . . . A 200 PRO HB3 . 30635 1 284 . 1 1 33 33 PRO HD2 H 1 3.936 0.00 . . . . . . A 200 PRO HD2 . 30635 1 285 . 1 1 33 33 PRO HD3 H 1 3.387 0.00 . . . . . . A 200 PRO HD3 . 30635 1 286 . 1 1 33 33 PRO C C 13 178.569 0.00 . . . . . . A 200 PRO C . 30635 1 287 . 1 1 33 33 PRO CA C 13 62.355 0.03 . . . . . . A 200 PRO CA . 30635 1 288 . 1 1 33 33 PRO CB C 13 29.582 8.23 . . . . . . A 200 PRO CB . 30635 1 289 . 1 1 33 33 PRO CD C 13 51.243 0.03 . . . . . . A 200 PRO CD . 30635 1 290 . 1 1 34 34 ALA H H 1 9.028 0.00 . . . . . . A 201 ALA H . 30635 1 291 . 1 1 34 34 ALA HA H 1 4.176 0.00 . . . . . . A 201 ALA HA . 30635 1 292 . 1 1 34 34 ALA HB1 H 1 1.466 0.00 . . . . . . A 201 ALA HB1 . 30635 1 293 . 1 1 34 34 ALA HB2 H 1 1.466 0.00 . . . . . . A 201 ALA HB2 . 30635 1 294 . 1 1 34 34 ALA HB3 H 1 1.466 0.00 . . . . . . A 201 ALA HB3 . 30635 1 295 . 1 1 34 34 ALA CA C 13 57.139 0.02 . . . . . . A 201 ALA CA . 30635 1 296 . 1 1 34 34 ALA CB C 13 15.874 0.55 . . . . . . A 201 ALA CB . 30635 1 297 . 1 1 34 34 ALA N N 15 127.334 0.04 . . . . . . A 201 ALA N . 30635 1 298 . 1 1 35 35 PRO HA H 1 4.355 0.00 . . . . . . A 202 PRO HA . 30635 1 299 . 1 1 35 35 PRO HB2 H 1 1.817 0.00 . . . . . . A 202 PRO HB2 . 30635 1 300 . 1 1 35 35 PRO HB3 H 1 1.826 0.00 . . . . . . A 202 PRO HB3 . 30635 1 301 . 1 1 35 35 PRO HG2 H 1 1.945 0.00 . . . . . . A 202 PRO HG2 . 30635 1 302 . 1 1 35 35 PRO HD2 H 1 3.878 0.00 . . . . . . A 202 PRO HD2 . 30635 1 303 . 1 1 35 35 PRO HD3 H 1 3.551 0.00 . . . . . . A 202 PRO HD3 . 30635 1 304 . 1 1 35 35 PRO C C 13 179.869 0.00 . . . . . . A 202 PRO C . 30635 1 305 . 1 1 35 35 PRO CA C 13 66.185 0.03 . . . . . . A 202 PRO CA . 30635 1 306 . 1 1 35 35 PRO CB C 13 31.484 0.07 . . . . . . A 202 PRO CB . 30635 1 307 . 1 1 35 35 PRO CG C 13 27.153 0.03 . . . . . . A 202 PRO CG . 30635 1 308 . 1 1 35 35 PRO CD C 13 50.361 0.05 . . . . . . A 202 PRO CD . 30635 1 309 . 1 1 36 36 ILE H H 1 7.145 0.00 . . . . . . A 203 ILE H . 30635 1 310 . 1 1 36 36 ILE HA H 1 3.618 0.00 . . . . . . A 203 ILE HA . 30635 1 311 . 1 1 36 36 ILE HB H 1 1.867 0.00 . . . . . . A 203 ILE HB . 30635 1 312 . 1 1 36 36 ILE HG12 H 1 1.218 0.01 . . . . . . A 203 ILE HG12 . 30635 1 313 . 1 1 36 36 ILE HG21 H 1 0.512 0.00 . . . . . . A 203 ILE HG21 . 30635 1 314 . 1 1 36 36 ILE HG22 H 1 0.512 0.00 . . . . . . A 203 ILE HG22 . 30635 1 315 . 1 1 36 36 ILE HG23 H 1 0.512 0.00 . . . . . . A 203 ILE HG23 . 30635 1 316 . 1 1 36 36 ILE HD11 H 1 0.813 0.00 . . . . . . A 203 ILE HD11 . 30635 1 317 . 1 1 36 36 ILE HD12 H 1 0.813 0.00 . . . . . . A 203 ILE HD12 . 30635 1 318 . 1 1 36 36 ILE HD13 H 1 0.813 0.00 . . . . . . A 203 ILE HD13 . 30635 1 319 . 1 1 36 36 ILE C C 13 176.739 0.00 . . . . . . A 203 ILE C . 30635 1 320 . 1 1 36 36 ILE CA C 13 62.632 0.02 . . . . . . A 203 ILE CA . 30635 1 321 . 1 1 36 36 ILE CB C 13 36.656 0.04 . . . . . . A 203 ILE CB . 30635 1 322 . 1 1 36 36 ILE CG1 C 13 28.526 0.06 . . . . . . A 203 ILE CG1 . 30635 1 323 . 1 1 36 36 ILE CG2 C 13 16.188 0.00 . . . . . . A 203 ILE CG2 . 30635 1 324 . 1 1 36 36 ILE CD1 C 13 11.935 0.38 . . . . . . A 203 ILE CD1 . 30635 1 325 . 1 1 36 36 ILE N N 15 116.547 0.04 . . . . . . A 203 ILE N . 30635 1 326 . 1 1 37 37 ALA H H 1 7.561 0.00 . . . . . . A 204 ALA H . 30635 1 327 . 1 1 37 37 ALA HA H 1 3.784 0.00 . . . . . . A 204 ALA HA . 30635 1 328 . 1 1 37 37 ALA HB1 H 1 1.384 0.00 . . . . . . A 204 ALA HB1 . 30635 1 329 . 1 1 37 37 ALA HB2 H 1 1.384 0.00 . . . . . . A 204 ALA HB2 . 30635 1 330 . 1 1 37 37 ALA HB3 H 1 1.384 0.00 . . . . . . A 204 ALA HB3 . 30635 1 331 . 1 1 37 37 ALA C C 13 177.773 0.00 . . . . . . A 204 ALA C . 30635 1 332 . 1 1 37 37 ALA CA C 13 54.974 0.03 . . . . . . A 204 ALA CA . 30635 1 333 . 1 1 37 37 ALA CB C 13 17.379 0.03 . . . . . . A 204 ALA CB . 30635 1 334 . 1 1 37 37 ALA N N 15 121.859 0.04 . . . . . . A 204 ALA N . 30635 1 335 . 1 1 38 38 VAL H H 1 7.329 0.00 . . . . . . A 205 VAL H . 30635 1 336 . 1 1 38 38 VAL HA H 1 3.759 0.00 . . . . . . A 205 VAL HA . 30635 1 337 . 1 1 38 38 VAL HB H 1 2.112 0.00 . . . . . . A 205 VAL HB . 30635 1 338 . 1 1 38 38 VAL HG11 H 1 1.080 0.00 . . . . . . A 205 VAL HG11 . 30635 1 339 . 1 1 38 38 VAL HG12 H 1 1.080 0.00 . . . . . . A 205 VAL HG12 . 30635 1 340 . 1 1 38 38 VAL HG13 H 1 1.080 0.00 . . . . . . A 205 VAL HG13 . 30635 1 341 . 1 1 38 38 VAL HG21 H 1 0.960 0.00 . . . . . . A 205 VAL HG21 . 30635 1 342 . 1 1 38 38 VAL HG22 H 1 0.960 0.00 . . . . . . A 205 VAL HG22 . 30635 1 343 . 1 1 38 38 VAL HG23 H 1 0.960 0.00 . . . . . . A 205 VAL HG23 . 30635 1 344 . 1 1 38 38 VAL C C 13 179.401 0.00 . . . . . . A 205 VAL C . 30635 1 345 . 1 1 38 38 VAL CA C 13 67.029 0.03 . . . . . . A 205 VAL CA . 30635 1 346 . 1 1 38 38 VAL CB C 13 32.326 0.04 . . . . . . A 205 VAL CB . 30635 1 347 . 1 1 38 38 VAL CG1 C 13 22.384 0.06 . . . . . . A 205 VAL CG1 . 30635 1 348 . 1 1 38 38 VAL CG2 C 13 21.307 0.06 . . . . . . A 205 VAL CG2 . 30635 1 349 . 1 1 38 38 VAL N N 15 112.005 0.05 . . . . . . A 205 VAL N . 30635 1 350 . 1 1 39 39 VAL H H 1 7.200 0.00 . . . . . . A 206 VAL H . 30635 1 351 . 1 1 39 39 VAL HA H 1 4.242 0.00 . . . . . . A 206 VAL HA . 30635 1 352 . 1 1 39 39 VAL HB H 1 2.326 0.01 . . . . . . A 206 VAL HB . 30635 1 353 . 1 1 39 39 VAL HG11 H 1 1.169 0.00 . . . . . . A 206 VAL HG11 . 30635 1 354 . 1 1 39 39 VAL HG12 H 1 1.169 0.00 . . . . . . A 206 VAL HG12 . 30635 1 355 . 1 1 39 39 VAL HG13 H 1 1.169 0.00 . . . . . . A 206 VAL HG13 . 30635 1 356 . 1 1 39 39 VAL HG21 H 1 1.084 0.00 . . . . . . A 206 VAL HG21 . 30635 1 357 . 1 1 39 39 VAL HG22 H 1 1.084 0.00 . . . . . . A 206 VAL HG22 . 30635 1 358 . 1 1 39 39 VAL HG23 H 1 1.084 0.00 . . . . . . A 206 VAL HG23 . 30635 1 359 . 1 1 39 39 VAL C C 13 177.408 0.00 . . . . . . A 206 VAL C . 30635 1 360 . 1 1 39 39 VAL CA C 13 63.166 0.03 . . . . . . A 206 VAL CA . 30635 1 361 . 1 1 39 39 VAL CB C 13 33.276 0.05 . . . . . . A 206 VAL CB . 30635 1 362 . 1 1 39 39 VAL CG1 C 13 19.687 0.03 . . . . . . A 206 VAL CG1 . 30635 1 363 . 1 1 39 39 VAL CG2 C 13 21.990 0.06 . . . . . . A 206 VAL CG2 . 30635 1 364 . 1 1 39 39 VAL N N 15 113.323 0.04 . . . . . . A 206 VAL N . 30635 1 365 . 1 1 40 40 GLY H H 1 8.430 0.00 . . . . . . A 207 GLY H . 30635 1 366 . 1 1 40 40 GLY HA2 H 1 4.095 0.01 . . . . . . A 207 GLY HA2 . 30635 1 367 . 1 1 40 40 GLY HA3 H 1 3.693 0.01 . . . . . . A 207 GLY HA3 . 30635 1 368 . 1 1 40 40 GLY C C 13 172.495 0.00 . . . . . . A 207 GLY C . 30635 1 369 . 1 1 40 40 GLY CA C 13 43.776 0.04 . . . . . . A 207 GLY CA . 30635 1 370 . 1 1 40 40 GLY N N 15 113.739 0.04 . . . . . . A 207 GLY N . 30635 1 371 . 1 1 41 41 GLY H H 1 8.168 0.00 . . . . . . A 208 GLY H . 30635 1 372 . 1 1 41 41 GLY HA2 H 1 4.155 0.00 . . . . . . A 208 GLY HA2 . 30635 1 373 . 1 1 41 41 GLY HA3 H 1 3.913 0.00 . . . . . . A 208 GLY HA3 . 30635 1 374 . 1 1 41 41 GLY C C 13 171.298 0.00 . . . . . . A 208 GLY C . 30635 1 375 . 1 1 41 41 GLY CA C 13 45.532 0.00 . . . . . . A 208 GLY CA . 30635 1 376 . 1 1 41 41 GLY N N 15 104.894 0.07 . . . . . . A 208 GLY N . 30635 1 377 . 1 1 42 42 LYS H H 1 8.431 0.00 . . . . . . A 209 LYS H . 30635 1 378 . 1 1 42 42 LYS HA H 1 5.314 0.00 . . . . . . A 209 LYS HA . 30635 1 379 . 1 1 42 42 LYS HB2 H 1 1.631 0.00 . . . . . . A 209 LYS HB2 . 30635 1 380 . 1 1 42 42 LYS HB3 H 1 1.522 0.02 . . . . . . A 209 LYS HB3 . 30635 1 381 . 1 1 42 42 LYS HG2 H 1 1.385 0.00 . . . . . . A 209 LYS HG2 . 30635 1 382 . 1 1 42 42 LYS HG3 H 1 1.186 0.00 . . . . . . A 209 LYS HG3 . 30635 1 383 . 1 1 42 42 LYS HD2 H 1 1.544 0.00 . . . . . . A 209 LYS HD2 . 30635 1 384 . 1 1 42 42 LYS HD3 H 1 1.470 0.00 . . . . . . A 209 LYS HD3 . 30635 1 385 . 1 1 42 42 LYS HE2 H 1 2.874 0.00 . . . . . . A 209 LYS HE2 . 30635 1 386 . 1 1 42 42 LYS C C 13 176.060 0.00 . . . . . . A 209 LYS C . 30635 1 387 . 1 1 42 42 LYS CA C 13 55.133 0.05 . . . . . . A 209 LYS CA . 30635 1 388 . 1 1 42 42 LYS CB C 13 35.077 0.03 . . . . . . A 209 LYS CB . 30635 1 389 . 1 1 42 42 LYS CG C 13 24.991 0.04 . . . . . . A 209 LYS CG . 30635 1 390 . 1 1 42 42 LYS CD C 13 29.268 0.04 . . . . . . A 209 LYS CD . 30635 1 391 . 1 1 42 42 LYS CE C 13 42.108 0.03 . . . . . . A 209 LYS CE . 30635 1 392 . 1 1 42 42 LYS N N 15 120.862 0.04 . . . . . . A 209 LYS N . 30635 1 393 . 1 1 43 43 VAL H H 1 8.687 0.00 . . . . . . A 210 VAL H . 30635 1 394 . 1 1 43 43 VAL HA H 1 4.524 0.00 . . . . . . A 210 VAL HA . 30635 1 395 . 1 1 43 43 VAL HB H 1 2.101 0.00 . . . . . . A 210 VAL HB . 30635 1 396 . 1 1 43 43 VAL HG11 H 1 0.829 0.00 . . . . . . A 210 VAL HG11 . 30635 1 397 . 1 1 43 43 VAL HG12 H 1 0.829 0.00 . . . . . . A 210 VAL HG12 . 30635 1 398 . 1 1 43 43 VAL HG13 H 1 0.829 0.00 . . . . . . A 210 VAL HG13 . 30635 1 399 . 1 1 43 43 VAL HG21 H 1 1.020 0.00 . . . . . . A 210 VAL HG21 . 30635 1 400 . 1 1 43 43 VAL HG22 H 1 1.020 0.00 . . . . . . A 210 VAL HG22 . 30635 1 401 . 1 1 43 43 VAL HG23 H 1 1.020 0.00 . . . . . . A 210 VAL HG23 . 30635 1 402 . 1 1 43 43 VAL CA C 13 59.747 0.04 . . . . . . A 210 VAL CA . 30635 1 403 . 1 1 43 43 VAL CB C 13 35.721 0.05 . . . . . . A 210 VAL CB . 30635 1 404 . 1 1 43 43 VAL CG1 C 13 20.810 0.02 . . . . . . A 210 VAL CG1 . 30635 1 405 . 1 1 43 43 VAL CG2 C 13 22.213 0.03 . . . . . . A 210 VAL CG2 . 30635 1 406 . 1 1 43 43 VAL N N 15 117.427 0.04 . . . . . . A 210 VAL N . 30635 1 407 . 1 1 44 44 ARG H H 1 8.522 0.00 . . . . . . A 211 ARG H . 30635 1 408 . 1 1 44 44 ARG HA H 1 4.683 0.00 . . . . . . A 211 ARG HA . 30635 1 409 . 1 1 44 44 ARG HB2 H 1 1.742 0.00 . . . . . . A 211 ARG HB2 . 30635 1 410 . 1 1 44 44 ARG HG2 H 1 1.419 0.00 . . . . . . A 211 ARG HG2 . 30635 1 411 . 1 1 44 44 ARG HD2 H 1 3.203 0.00 . . . . . . A 211 ARG HD2 . 30635 1 412 . 1 1 44 44 ARG HD3 H 1 3.124 0.00 . . . . . . A 211 ARG HD3 . 30635 1 413 . 1 1 44 44 ARG C C 13 174.931 0.00 . . . . . . A 211 ARG C . 30635 1 414 . 1 1 44 44 ARG CA C 13 55.915 0.08 . . . . . . A 211 ARG CA . 30635 1 415 . 1 1 44 44 ARG CB C 13 31.466 0.10 . . . . . . A 211 ARG CB . 30635 1 416 . 1 1 44 44 ARG CG C 13 27.775 0.06 . . . . . . A 211 ARG CG . 30635 1 417 . 1 1 44 44 ARG CD C 13 43.652 0.02 . . . . . . A 211 ARG CD . 30635 1 418 . 1 1 44 44 ARG N N 15 123.457 0.02 . . . . . . A 211 ARG N . 30635 1 419 . 1 1 45 45 ALA H H 1 9.038 0.00 . . . . . . A 212 ALA H . 30635 1 420 . 1 1 45 45 ALA HA H 1 4.662 0.00 . . . . . . A 212 ALA HA . 30635 1 421 . 1 1 45 45 ALA HB1 H 1 1.157 0.01 . . . . . . A 212 ALA HB1 . 30635 1 422 . 1 1 45 45 ALA HB2 H 1 1.157 0.01 . . . . . . A 212 ALA HB2 . 30635 1 423 . 1 1 45 45 ALA HB3 H 1 1.157 0.01 . . . . . . A 212 ALA HB3 . 30635 1 424 . 1 1 45 45 ALA CA C 13 50.177 0.05 . . . . . . A 212 ALA CA . 30635 1 425 . 1 1 45 45 ALA CB C 13 22.451 0.03 . . . . . . A 212 ALA CB . 30635 1 426 . 1 1 45 45 ALA N N 15 127.362 0.05 . . . . . . A 212 ALA N . 30635 1 427 . 1 1 46 46 MET H H 1 8.519 0.00 . . . . . . A 213 MET H . 30635 1 428 . 1 1 46 46 MET HB2 H 1 1.779 0.00 . . . . . . A 213 MET HB2 . 30635 1 429 . 1 1 46 46 MET HB3 H 1 1.919 0.00 . . . . . . A 213 MET HB3 . 30635 1 430 . 1 1 46 46 MET HE1 H 1 2.026 0.00 . . . . . . A 213 MET HE1 . 30635 1 431 . 1 1 46 46 MET HE2 H 1 2.026 0.00 . . . . . . A 213 MET HE2 . 30635 1 432 . 1 1 46 46 MET HE3 H 1 2.026 0.00 . . . . . . A 213 MET HE3 . 30635 1 433 . 1 1 46 46 MET CB C 13 33.096 0.05 . . . . . . A 213 MET CB . 30635 1 434 . 1 1 46 46 MET CE C 13 16.350 0.00 . . . . . . A 213 MET CE . 30635 1 435 . 1 1 46 46 MET N N 15 120.400 0.04 . . . . . . A 213 MET N . 30635 1 436 . 1 1 47 47 THR H H 1 8.419 0.00 . . . . . . A 214 THR H . 30635 1 437 . 1 1 47 47 THR HB H 1 4.686 0.00 . . . . . . A 214 THR HB . 30635 1 438 . 1 1 47 47 THR HG21 H 1 0.961 0.00 . . . . . . A 214 THR HG21 . 30635 1 439 . 1 1 47 47 THR HG22 H 1 0.961 0.00 . . . . . . A 214 THR HG22 . 30635 1 440 . 1 1 47 47 THR HG23 H 1 0.961 0.00 . . . . . . A 214 THR HG23 . 30635 1 441 . 1 1 47 47 THR C C 13 175.821 0.00 . . . . . . A 214 THR C . 30635 1 442 . 1 1 47 47 THR CA C 13 59.843 0.01 . . . . . . A 214 THR CA . 30635 1 443 . 1 1 47 47 THR CB C 13 72.041 0.09 . . . . . . A 214 THR CB . 30635 1 444 . 1 1 47 47 THR CG2 C 13 21.603 0.06 . . . . . . A 214 THR CG2 . 30635 1 445 . 1 1 47 47 THR N N 15 126.960 0.00 . . . . . . A 214 THR N . 30635 1 446 . 1 1 48 48 LEU H H 1 9.029 0.00 . . . . . . A 215 LEU H . 30635 1 447 . 1 1 48 48 LEU HA H 1 4.085 0.00 . . . . . . A 215 LEU HA . 30635 1 448 . 1 1 48 48 LEU HB2 H 1 1.807 0.01 . . . . . . A 215 LEU HB2 . 30635 1 449 . 1 1 48 48 LEU HB3 H 1 1.594 0.01 . . . . . . A 215 LEU HB3 . 30635 1 450 . 1 1 48 48 LEU HD11 H 1 0.818 0.01 . . . . . . A 215 LEU HD11 . 30635 1 451 . 1 1 48 48 LEU HD12 H 1 0.818 0.01 . . . . . . A 215 LEU HD12 . 30635 1 452 . 1 1 48 48 LEU HD13 H 1 0.818 0.01 . . . . . . A 215 LEU HD13 . 30635 1 453 . 1 1 48 48 LEU HD21 H 1 0.867 0.00 . . . . . . A 215 LEU HD21 . 30635 1 454 . 1 1 48 48 LEU HD22 H 1 0.867 0.00 . . . . . . A 215 LEU HD22 . 30635 1 455 . 1 1 48 48 LEU HD23 H 1 0.867 0.00 . . . . . . A 215 LEU HD23 . 30635 1 456 . 1 1 48 48 LEU C C 13 177.898 0.00 . . . . . . A 215 LEU C . 30635 1 457 . 1 1 48 48 LEU CA C 13 57.882 0.02 . . . . . . A 215 LEU CA . 30635 1 458 . 1 1 48 48 LEU CB C 13 41.481 0.04 . . . . . . A 215 LEU CB . 30635 1 459 . 1 1 48 48 LEU CG C 13 27.305 0.12 . . . . . . A 215 LEU CG . 30635 1 460 . 1 1 48 48 LEU CD1 C 13 25.216 0.08 . . . . . . A 215 LEU CD1 . 30635 1 461 . 1 1 48 48 LEU CD2 C 13 23.389 0.01 . . . . . . A 215 LEU CD2 . 30635 1 462 . 1 1 48 48 LEU N N 15 120.920 0.10 . . . . . . A 215 LEU N . 30635 1 463 . 1 1 49 49 GLU H H 1 7.808 0.00 . . . . . . A 216 GLU H . 30635 1 464 . 1 1 49 49 GLU HA H 1 4.399 0.00 . . . . . . A 216 GLU HA . 30635 1 465 . 1 1 49 49 GLU HB2 H 1 2.178 0.01 . . . . . . A 216 GLU HB2 . 30635 1 466 . 1 1 49 49 GLU HB3 H 1 1.749 0.01 . . . . . . A 216 GLU HB3 . 30635 1 467 . 1 1 49 49 GLU HG2 H 1 2.278 0.00 . . . . . . A 216 GLU HG2 . 30635 1 468 . 1 1 49 49 GLU HG3 H 1 2.078 0.00 . . . . . . A 216 GLU HG3 . 30635 1 469 . 1 1 49 49 GLU C C 13 175.551 0.00 . . . . . . A 216 GLU C . 30635 1 470 . 1 1 49 49 GLU CA C 13 56.256 0.07 . . . . . . A 216 GLU CA . 30635 1 471 . 1 1 49 49 GLU CB C 13 30.008 0.03 . . . . . . A 216 GLU CB . 30635 1 472 . 1 1 49 49 GLU CG C 13 37.174 0.08 . . . . . . A 216 GLU CG . 30635 1 473 . 1 1 49 49 GLU N N 15 115.153 0.03 . . . . . . A 216 GLU N . 30635 1 474 . 1 1 50 50 GLY H H 1 7.334 0.00 . . . . . . A 217 GLY H . 30635 1 475 . 1 1 50 50 GLY N N 15 108.091 0.05 . . . . . . A 217 GLY N . 30635 1 476 . 1 1 51 51 PRO HA H 1 5.197 0.00 . . . . . . A 218 PRO HA . 30635 1 477 . 1 1 51 51 PRO HB2 H 1 1.810 0.01 . . . . . . A 218 PRO HB2 . 30635 1 478 . 1 1 51 51 PRO HB3 H 1 2.102 0.00 . . . . . . A 218 PRO HB3 . 30635 1 479 . 1 1 51 51 PRO HG2 H 1 1.956 0.00 . . . . . . A 218 PRO HG2 . 30635 1 480 . 1 1 51 51 PRO HD3 H 1 3.521 0.00 . . . . . . A 218 PRO HD3 . 30635 1 481 . 1 1 51 51 PRO C C 13 177.240 0.00 . . . . . . A 218 PRO C . 30635 1 482 . 1 1 51 51 PRO CA C 13 62.916 0.04 . . . . . . A 218 PRO CA . 30635 1 483 . 1 1 51 51 PRO CB C 13 32.318 0.05 . . . . . . A 218 PRO CB . 30635 1 484 . 1 1 51 51 PRO CG C 13 27.405 0.05 . . . . . . A 218 PRO CG . 30635 1 485 . 1 1 51 51 PRO CD C 13 49.697 0.08 . . . . . . A 218 PRO CD . 30635 1 486 . 1 1 52 52 VAL H H 1 9.009 0.00 . . . . . . A 219 VAL H . 30635 1 487 . 1 1 52 52 VAL HA H 1 4.468 0.00 . . . . . . A 219 VAL HA . 30635 1 488 . 1 1 52 52 VAL HB H 1 1.945 0.00 . . . . . . A 219 VAL HB . 30635 1 489 . 1 1 52 52 VAL HG11 H 1 0.784 0.00 . . . . . . A 219 VAL HG11 . 30635 1 490 . 1 1 52 52 VAL HG12 H 1 0.784 0.00 . . . . . . A 219 VAL HG12 . 30635 1 491 . 1 1 52 52 VAL HG13 H 1 0.784 0.00 . . . . . . A 219 VAL HG13 . 30635 1 492 . 1 1 52 52 VAL HG21 H 1 0.720 0.00 . . . . . . A 219 VAL HG21 . 30635 1 493 . 1 1 52 52 VAL HG22 H 1 0.720 0.00 . . . . . . A 219 VAL HG22 . 30635 1 494 . 1 1 52 52 VAL HG23 H 1 0.720 0.00 . . . . . . A 219 VAL HG23 . 30635 1 495 . 1 1 52 52 VAL C C 13 174.086 0.00 . . . . . . A 219 VAL C . 30635 1 496 . 1 1 52 52 VAL CA C 13 59.927 0.04 . . . . . . A 219 VAL CA . 30635 1 497 . 1 1 52 52 VAL CB C 13 35.963 0.04 . . . . . . A 219 VAL CB . 30635 1 498 . 1 1 52 52 VAL CG1 C 13 21.489 0.06 . . . . . . A 219 VAL CG1 . 30635 1 499 . 1 1 52 52 VAL CG2 C 13 20.442 0.02 . . . . . . A 219 VAL CG2 . 30635 1 500 . 1 1 52 52 VAL N N 15 119.453 0.04 . . . . . . A 219 VAL N . 30635 1 501 . 1 1 53 53 GLU H H 1 8.480 0.01 . . . . . . A 220 GLU H . 30635 1 502 . 1 1 53 53 GLU HA H 1 4.702 0.00 . . . . . . A 220 GLU HA . 30635 1 503 . 1 1 53 53 GLU HB2 H 1 1.878 0.00 . . . . . . A 220 GLU HB2 . 30635 1 504 . 1 1 53 53 GLU HB3 H 1 1.834 0.08 . . . . . . A 220 GLU HB3 . 30635 1 505 . 1 1 53 53 GLU HG2 H 1 2.179 0.00 . . . . . . A 220 GLU HG2 . 30635 1 506 . 1 1 53 53 GLU HG3 H 1 1.944 0.00 . . . . . . A 220 GLU HG3 . 30635 1 507 . 1 1 53 53 GLU C C 13 175.544 0.00 . . . . . . A 220 GLU C . 30635 1 508 . 1 1 53 53 GLU CA C 13 55.964 0.03 . . . . . . A 220 GLU CA . 30635 1 509 . 1 1 53 53 GLU CB C 13 31.108 0.03 . . . . . . A 220 GLU CB . 30635 1 510 . 1 1 53 53 GLU CG C 13 37.331 0.02 . . . . . . A 220 GLU CG . 30635 1 511 . 1 1 53 53 GLU N N 15 122.979 0.05 . . . . . . A 220 GLU N . 30635 1 512 . 1 1 54 54 VAL H H 1 9.158 0.00 . . . . . . A 221 VAL H . 30635 1 513 . 1 1 54 54 VAL HA H 1 4.158 0.00 . . . . . . A 221 VAL HA . 30635 1 514 . 1 1 54 54 VAL HB H 1 1.858 0.00 . . . . . . A 221 VAL HB . 30635 1 515 . 1 1 54 54 VAL HG11 H 1 0.736 0.00 . . . . . . A 221 VAL HG11 . 30635 1 516 . 1 1 54 54 VAL HG12 H 1 0.736 0.00 . . . . . . A 221 VAL HG12 . 30635 1 517 . 1 1 54 54 VAL HG13 H 1 0.736 0.00 . . . . . . A 221 VAL HG13 . 30635 1 518 . 1 1 54 54 VAL HG21 H 1 0.696 0.00 . . . . . . A 221 VAL HG21 . 30635 1 519 . 1 1 54 54 VAL HG22 H 1 0.696 0.00 . . . . . . A 221 VAL HG22 . 30635 1 520 . 1 1 54 54 VAL HG23 H 1 0.696 0.00 . . . . . . A 221 VAL HG23 . 30635 1 521 . 1 1 54 54 VAL C C 13 174.007 0.00 . . . . . . A 221 VAL C . 30635 1 522 . 1 1 54 54 VAL CA C 13 60.820 0.02 . . . . . . A 221 VAL CA . 30635 1 523 . 1 1 54 54 VAL CB C 13 34.270 0.04 . . . . . . A 221 VAL CB . 30635 1 524 . 1 1 54 54 VAL CG1 C 13 21.799 0.03 . . . . . . A 221 VAL CG1 . 30635 1 525 . 1 1 54 54 VAL CG2 C 13 21.464 0.07 . . . . . . A 221 VAL CG2 . 30635 1 526 . 1 1 54 54 VAL N N 15 125.335 0.04 . . . . . . A 221 VAL N . 30635 1 527 . 1 1 55 55 ALA H H 1 8.425 0.00 . . . . . . A 222 ALA H . 30635 1 528 . 1 1 55 55 ALA HA H 1 4.530 0.00 . . . . . . A 222 ALA HA . 30635 1 529 . 1 1 55 55 ALA HB1 H 1 1.267 0.00 . . . . . . A 222 ALA HB1 . 30635 1 530 . 1 1 55 55 ALA HB2 H 1 1.267 0.00 . . . . . . A 222 ALA HB2 . 30635 1 531 . 1 1 55 55 ALA HB3 H 1 1.267 0.00 . . . . . . A 222 ALA HB3 . 30635 1 532 . 1 1 55 55 ALA C C 13 175.817 0.00 . . . . . . A 222 ALA C . 30635 1 533 . 1 1 55 55 ALA CA C 13 51.376 0.03 . . . . . . A 222 ALA CA . 30635 1 534 . 1 1 55 55 ALA CB C 13 18.530 0.04 . . . . . . A 222 ALA CB . 30635 1 535 . 1 1 55 55 ALA N N 15 128.254 0.05 . . . . . . A 222 ALA N . 30635 1 536 . 1 1 56 56 VAL H H 1 8.949 0.00 . . . . . . A 223 VAL H . 30635 1 537 . 1 1 56 56 VAL HA H 1 4.266 0.00 . . . . . . A 223 VAL HA . 30635 1 538 . 1 1 56 56 VAL HB H 1 1.992 0.00 . . . . . . A 223 VAL HB . 30635 1 539 . 1 1 56 56 VAL HG11 H 1 0.918 0.00 . . . . . . A 223 VAL HG11 . 30635 1 540 . 1 1 56 56 VAL HG12 H 1 0.918 0.00 . . . . . . A 223 VAL HG12 . 30635 1 541 . 1 1 56 56 VAL HG13 H 1 0.918 0.00 . . . . . . A 223 VAL HG13 . 30635 1 542 . 1 1 56 56 VAL HG21 H 1 0.802 0.00 . . . . . . A 223 VAL HG21 . 30635 1 543 . 1 1 56 56 VAL HG22 H 1 0.802 0.00 . . . . . . A 223 VAL HG22 . 30635 1 544 . 1 1 56 56 VAL HG23 H 1 0.802 0.00 . . . . . . A 223 VAL HG23 . 30635 1 545 . 1 1 56 56 VAL CA C 13 59.356 0.02 . . . . . . A 223 VAL CA . 30635 1 546 . 1 1 56 56 VAL CB C 13 32.758 0.04 . . . . . . A 223 VAL CB . 30635 1 547 . 1 1 56 56 VAL CG1 C 13 21.164 0.05 . . . . . . A 223 VAL CG1 . 30635 1 548 . 1 1 56 56 VAL CG2 C 13 21.393 0.05 . . . . . . A 223 VAL CG2 . 30635 1 549 . 1 1 56 56 VAL N N 15 125.776 0.04 . . . . . . A 223 VAL N . 30635 1 550 . 1 1 57 57 PRO HB2 H 1 2.416 0.01 . . . . . . A 224 PRO HB2 . 30635 1 551 . 1 1 57 57 PRO HB3 H 1 1.781 0.00 . . . . . . A 224 PRO HB3 . 30635 1 552 . 1 1 57 57 PRO HG3 H 1 1.941 0.00 . . . . . . A 224 PRO HG3 . 30635 1 553 . 1 1 57 57 PRO HD2 H 1 3.612 0.00 . . . . . . A 224 PRO HD2 . 30635 1 554 . 1 1 57 57 PRO HD3 H 1 4.054 0.00 . . . . . . A 224 PRO HD3 . 30635 1 555 . 1 1 57 57 PRO CB C 13 30.693 0.09 . . . . . . A 224 PRO CB . 30635 1 556 . 1 1 57 57 PRO CG C 13 27.073 0.04 . . . . . . A 224 PRO CG . 30635 1 557 . 1 1 57 57 PRO CD C 13 51.103 0.03 . . . . . . A 224 PRO CD . 30635 1 558 . 1 1 58 58 PRO HA H 1 4.003 0.00 . . . . . . A 225 PRO HA . 30635 1 559 . 1 1 58 58 PRO HB2 H 1 2.239 0.01 . . . . . . A 225 PRO HB2 . 30635 1 560 . 1 1 58 58 PRO HB3 H 1 1.782 0.00 . . . . . . A 225 PRO HB3 . 30635 1 561 . 1 1 58 58 PRO HG2 H 1 2.044 0.00 . . . . . . A 225 PRO HG2 . 30635 1 562 . 1 1 58 58 PRO HD2 H 1 3.851 0.00 . . . . . . A 225 PRO HD2 . 30635 1 563 . 1 1 58 58 PRO HD3 H 1 3.548 0.00 . . . . . . A 225 PRO HD3 . 30635 1 564 . 1 1 58 58 PRO C C 13 175.737 0.00 . . . . . . A 225 PRO C . 30635 1 565 . 1 1 58 58 PRO CA C 13 63.077 0.01 . . . . . . A 225 PRO CA . 30635 1 566 . 1 1 58 58 PRO CB C 13 32.178 0.05 . . . . . . A 225 PRO CB . 30635 1 567 . 1 1 58 58 PRO CG C 13 27.401 0.02 . . . . . . A 225 PRO CG . 30635 1 568 . 1 1 58 58 PRO CD C 13 50.071 0.04 . . . . . . A 225 PRO CD . 30635 1 569 . 1 1 59 59 ARG H H 1 8.359 0.00 . . . . . . A 226 ARG H . 30635 1 570 . 1 1 59 59 ARG HA H 1 3.906 0.00 . . . . . . A 226 ARG HA . 30635 1 571 . 1 1 59 59 ARG HB2 H 1 1.928 0.00 . . . . . . A 226 ARG HB2 . 30635 1 572 . 1 1 59 59 ARG HB3 H 1 2.070 0.00 . . . . . . A 226 ARG HB3 . 30635 1 573 . 1 1 59 59 ARG HG2 H 1 1.619 0.01 . . . . . . A 226 ARG HG2 . 30635 1 574 . 1 1 59 59 ARG HG3 H 1 1.589 0.00 . . . . . . A 226 ARG HG3 . 30635 1 575 . 1 1 59 59 ARG HD2 H 1 3.202 0.00 . . . . . . A 226 ARG HD2 . 30635 1 576 . 1 1 59 59 ARG HD3 H 1 3.306 0.00 . . . . . . A 226 ARG HD3 . 30635 1 577 . 1 1 59 59 ARG CA C 13 56.757 0.01 . . . . . . A 226 ARG CA . 30635 1 578 . 1 1 59 59 ARG CB C 13 26.415 0.15 . . . . . . A 226 ARG CB . 30635 1 579 . 1 1 59 59 ARG CG C 13 27.807 0.08 . . . . . . A 226 ARG CG . 30635 1 580 . 1 1 59 59 ARG CD C 13 43.285 0.04 . . . . . . A 226 ARG CD . 30635 1 581 . 1 1 59 59 ARG N N 15 117.343 0.05 . . . . . . A 226 ARG N . 30635 1 582 . 1 1 60 60 THR H H 1 8.528 0.02 . . . . . . A 227 THR H . 30635 1 583 . 1 1 60 60 THR HA H 1 3.949 0.00 . . . . . . A 227 THR HA . 30635 1 584 . 1 1 60 60 THR HB H 1 3.949 0.00 . . . . . . A 227 THR HB . 30635 1 585 . 1 1 60 60 THR HG21 H 1 1.116 0.00 . . . . . . A 227 THR HG21 . 30635 1 586 . 1 1 60 60 THR HG22 H 1 1.116 0.00 . . . . . . A 227 THR HG22 . 30635 1 587 . 1 1 60 60 THR HG23 H 1 1.116 0.00 . . . . . . A 227 THR HG23 . 30635 1 588 . 1 1 60 60 THR CA C 13 65.990 0.02 . . . . . . A 227 THR CA . 30635 1 589 . 1 1 60 60 THR CB C 13 69.250 0.02 . . . . . . A 227 THR CB . 30635 1 590 . 1 1 60 60 THR CG2 C 13 23.347 0.04 . . . . . . A 227 THR CG2 . 30635 1 591 . 1 1 60 60 THR N N 15 120.138 0.07 . . . . . . A 227 THR N . 30635 1 592 . 1 1 61 61 GLN H H 1 8.170 0.00 . . . . . . A 228 GLN H . 30635 1 593 . 1 1 61 61 GLN HA H 1 4.468 0.01 . . . . . . A 228 GLN HA . 30635 1 594 . 1 1 61 61 GLN HB2 H 1 2.179 0.00 . . . . . . A 228 GLN HB2 . 30635 1 595 . 1 1 61 61 GLN HB3 H 1 1.884 0.00 . . . . . . A 228 GLN HB3 . 30635 1 596 . 1 1 61 61 GLN HG2 H 1 2.379 0.00 . . . . . . A 228 GLN HG2 . 30635 1 597 . 1 1 61 61 GLN C C 13 174.787 0.00 . . . . . . A 228 GLN C . 30635 1 598 . 1 1 61 61 GLN CA C 13 53.460 0.02 . . . . . . A 228 GLN CA . 30635 1 599 . 1 1 61 61 GLN CB C 13 31.533 0.06 . . . . . . A 228 GLN CB . 30635 1 600 . 1 1 61 61 GLN CG C 13 34.009 0.03 . . . . . . A 228 GLN CG . 30635 1 601 . 1 1 61 61 GLN N N 15 125.350 0.01 . . . . . . A 228 GLN N . 30635 1 602 . 1 1 62 62 ALA H H 1 8.543 0.00 . . . . . . A 229 ALA H . 30635 1 603 . 1 1 62 62 ALA HA H 1 3.864 0.00 . . . . . . A 229 ALA HA . 30635 1 604 . 1 1 62 62 ALA HB1 H 1 1.470 0.00 . . . . . . A 229 ALA HB1 . 30635 1 605 . 1 1 62 62 ALA HB2 H 1 1.470 0.00 . . . . . . A 229 ALA HB2 . 30635 1 606 . 1 1 62 62 ALA HB3 H 1 1.470 0.00 . . . . . . A 229 ALA HB3 . 30635 1 607 . 1 1 62 62 ALA C C 13 178.846 0.00 . . . . . . A 229 ALA C . 30635 1 608 . 1 1 62 62 ALA CA C 13 53.597 0.04 . . . . . . A 229 ALA CA . 30635 1 609 . 1 1 62 62 ALA CB C 13 18.581 0.04 . . . . . . A 229 ALA CB . 30635 1 610 . 1 1 62 62 ALA N N 15 121.998 0.07 . . . . . . A 229 ALA N . 30635 1 611 . 1 1 63 63 GLY H H 1 9.132 0.00 . . . . . . A 230 GLY H . 30635 1 612 . 1 1 63 63 GLY HA2 H 1 3.651 0.00 . . . . . . A 230 GLY HA2 . 30635 1 613 . 1 1 63 63 GLY HA3 H 1 4.420 0.00 . . . . . . A 230 GLY HA3 . 30635 1 614 . 1 1 63 63 GLY C C 13 174.312 0.00 . . . . . . A 230 GLY C . 30635 1 615 . 1 1 63 63 GLY CA C 13 44.980 0.02 . . . . . . A 230 GLY CA . 30635 1 616 . 1 1 63 63 GLY N N 15 111.202 0.05 . . . . . . A 230 GLY N . 30635 1 617 . 1 1 64 64 ARG H H 1 7.615 0.00 . . . . . . A 231 ARG H . 30635 1 618 . 1 1 64 64 ARG HA H 1 4.161 0.00 . . . . . . A 231 ARG HA . 30635 1 619 . 1 1 64 64 ARG HB2 H 1 1.722 0.01 . . . . . . A 231 ARG HB2 . 30635 1 620 . 1 1 64 64 ARG HB3 H 1 2.200 0.00 . . . . . . A 231 ARG HB3 . 30635 1 621 . 1 1 64 64 ARG HD2 H 1 3.452 0.00 . . . . . . A 231 ARG HD2 . 30635 1 622 . 1 1 64 64 ARG HD3 H 1 3.207 0.00 . . . . . . A 231 ARG HD3 . 30635 1 623 . 1 1 64 64 ARG C C 13 174.896 0.00 . . . . . . A 231 ARG C . 30635 1 624 . 1 1 64 64 ARG CA C 13 56.787 0.03 . . . . . . A 231 ARG CA . 30635 1 625 . 1 1 64 64 ARG CB C 13 30.763 0.06 . . . . . . A 231 ARG CB . 30635 1 626 . 1 1 64 64 ARG CG C 13 27.649 0.07 . . . . . . A 231 ARG CG . 30635 1 627 . 1 1 64 64 ARG CD C 13 43.580 0.04 . . . . . . A 231 ARG CD . 30635 1 628 . 1 1 64 64 ARG N N 15 121.847 0.04 . . . . . . A 231 ARG N . 30635 1 629 . 1 1 65 65 LYS H H 1 8.721 0.00 . . . . . . A 232 LYS H . 30635 1 630 . 1 1 65 65 LYS HA H 1 5.374 0.01 . . . . . . A 232 LYS HA . 30635 1 631 . 1 1 65 65 LYS HB2 H 1 1.671 0.01 . . . . . . A 232 LYS HB2 . 30635 1 632 . 1 1 65 65 LYS HB3 H 1 1.948 0.01 . . . . . . A 232 LYS HB3 . 30635 1 633 . 1 1 65 65 LYS HG2 H 1 1.665 0.00 . . . . . . A 232 LYS HG2 . 30635 1 634 . 1 1 65 65 LYS HG3 H 1 1.408 0.00 . . . . . . A 232 LYS HG3 . 30635 1 635 . 1 1 65 65 LYS HD2 H 1 1.728 0.00 . . . . . . A 232 LYS HD2 . 30635 1 636 . 1 1 65 65 LYS HD3 H 1 1.680 0.00 . . . . . . A 232 LYS HD3 . 30635 1 637 . 1 1 65 65 LYS HE3 H 1 3.002 0.00 . . . . . . A 232 LYS HE3 . 30635 1 638 . 1 1 65 65 LYS C C 13 176.598 0.00 . . . . . . A 232 LYS C . 30635 1 639 . 1 1 65 65 LYS CA C 13 54.847 0.03 . . . . . . A 232 LYS CA . 30635 1 640 . 1 1 65 65 LYS CB C 13 33.875 0.03 . . . . . . A 232 LYS CB . 30635 1 641 . 1 1 65 65 LYS CG C 13 25.733 0.02 . . . . . . A 232 LYS CG . 30635 1 642 . 1 1 65 65 LYS CD C 13 29.394 0.03 . . . . . . A 232 LYS CD . 30635 1 643 . 1 1 65 65 LYS CE C 13 42.095 0.02 . . . . . . A 232 LYS CE . 30635 1 644 . 1 1 65 65 LYS N N 15 124.010 0.03 . . . . . . A 232 LYS N . 30635 1 645 . 1 1 66 66 LEU H H 1 9.359 0.00 . . . . . . A 233 LEU H . 30635 1 646 . 1 1 66 66 LEU HA H 1 4.667 0.00 . . . . . . A 233 LEU HA . 30635 1 647 . 1 1 66 66 LEU HB2 H 1 1.659 0.01 . . . . . . A 233 LEU HB2 . 30635 1 648 . 1 1 66 66 LEU HB3 H 1 1.417 0.00 . . . . . . A 233 LEU HB3 . 30635 1 649 . 1 1 66 66 LEU HG H 1 1.632 0.00 . . . . . . A 233 LEU HG . 30635 1 650 . 1 1 66 66 LEU HD11 H 1 0.835 0.00 . . . . . . A 233 LEU HD11 . 30635 1 651 . 1 1 66 66 LEU HD12 H 1 0.835 0.00 . . . . . . A 233 LEU HD12 . 30635 1 652 . 1 1 66 66 LEU HD13 H 1 0.835 0.00 . . . . . . A 233 LEU HD13 . 30635 1 653 . 1 1 66 66 LEU HD21 H 1 0.752 0.00 . . . . . . A 233 LEU HD21 . 30635 1 654 . 1 1 66 66 LEU HD22 H 1 0.752 0.00 . . . . . . A 233 LEU HD22 . 30635 1 655 . 1 1 66 66 LEU HD23 H 1 0.752 0.00 . . . . . . A 233 LEU HD23 . 30635 1 656 . 1 1 66 66 LEU C C 13 174.908 0.00 . . . . . . A 233 LEU C . 30635 1 657 . 1 1 66 66 LEU CA C 13 53.652 0.08 . . . . . . A 233 LEU CA . 30635 1 658 . 1 1 66 66 LEU CB C 13 42.572 0.05 . . . . . . A 233 LEU CB . 30635 1 659 . 1 1 66 66 LEU CG C 13 27.217 0.13 . . . . . . A 233 LEU CG . 30635 1 660 . 1 1 66 66 LEU CD1 C 13 22.963 0.01 . . . . . . A 233 LEU CD1 . 30635 1 661 . 1 1 66 66 LEU CD2 C 13 26.030 0.05 . . . . . . A 233 LEU CD2 . 30635 1 662 . 1 1 66 66 LEU N N 15 126.693 0.04 . . . . . . A 233 LEU N . 30635 1 663 . 1 1 67 67 ARG H H 1 8.598 0.00 . . . . . . A 234 ARG H . 30635 1 664 . 1 1 67 67 ARG HA H 1 4.418 0.01 . . . . . . A 234 ARG HA . 30635 1 665 . 1 1 67 67 ARG HB2 H 1 1.528 0.01 . . . . . . A 234 ARG HB2 . 30635 1 666 . 1 1 67 67 ARG HB3 H 1 1.777 0.00 . . . . . . A 234 ARG HB3 . 30635 1 667 . 1 1 67 67 ARG HG3 H 1 1.581 0.00 . . . . . . A 234 ARG HG3 . 30635 1 668 . 1 1 67 67 ARG C C 13 175.095 0.00 . . . . . . A 234 ARG C . 30635 1 669 . 1 1 67 67 ARG CA C 13 55.143 0.02 . . . . . . A 234 ARG CA . 30635 1 670 . 1 1 67 67 ARG CB C 13 32.782 0.03 . . . . . . A 234 ARG CB . 30635 1 671 . 1 1 67 67 ARG CG C 13 27.819 0.00 . . . . . . A 234 ARG CG . 30635 1 672 . 1 1 67 67 ARG CD C 13 43.565 0.07 . . . . . . A 234 ARG CD . 30635 1 673 . 1 1 67 67 ARG N N 15 123.464 0.05 . . . . . . A 234 ARG N . 30635 1 674 . 1 1 68 68 LEU H H 1 9.467 0.00 . . . . . . A 235 LEU H . 30635 1 675 . 1 1 68 68 LEU HA H 1 4.629 0.00 . . . . . . A 235 LEU HA . 30635 1 676 . 1 1 68 68 LEU HB2 H 1 1.630 0.01 . . . . . . A 235 LEU HB2 . 30635 1 677 . 1 1 68 68 LEU HB3 H 1 1.337 0.00 . . . . . . A 235 LEU HB3 . 30635 1 678 . 1 1 68 68 LEU HG H 1 1.515 0.00 . . . . . . A 235 LEU HG . 30635 1 679 . 1 1 68 68 LEU HD11 H 1 0.718 0.00 . . . . . . A 235 LEU HD11 . 30635 1 680 . 1 1 68 68 LEU HD12 H 1 0.718 0.00 . . . . . . A 235 LEU HD12 . 30635 1 681 . 1 1 68 68 LEU HD13 H 1 0.718 0.00 . . . . . . A 235 LEU HD13 . 30635 1 682 . 1 1 68 68 LEU HD21 H 1 0.770 0.00 . . . . . . A 235 LEU HD21 . 30635 1 683 . 1 1 68 68 LEU HD22 H 1 0.770 0.00 . . . . . . A 235 LEU HD22 . 30635 1 684 . 1 1 68 68 LEU HD23 H 1 0.770 0.00 . . . . . . A 235 LEU HD23 . 30635 1 685 . 1 1 68 68 LEU C C 13 176.314 0.00 . . . . . . A 235 LEU C . 30635 1 686 . 1 1 68 68 LEU CA C 13 53.759 0.02 . . . . . . A 235 LEU CA . 30635 1 687 . 1 1 68 68 LEU CB C 13 41.183 0.04 . . . . . . A 235 LEU CB . 30635 1 688 . 1 1 68 68 LEU CG C 13 27.953 0.04 . . . . . . A 235 LEU CG . 30635 1 689 . 1 1 68 68 LEU CD1 C 13 25.099 0.02 . . . . . . A 235 LEU CD1 . 30635 1 690 . 1 1 68 68 LEU CD2 C 13 24.695 0.12 . . . . . . A 235 LEU CD2 . 30635 1 691 . 1 1 68 68 LEU N N 15 130.681 0.06 . . . . . . A 235 LEU N . 30635 1 692 . 1 1 69 69 LYS H H 1 8.582 0.00 . . . . . . A 236 LYS H . 30635 1 693 . 1 1 69 69 LYS HA H 1 4.054 0.00 . . . . . . A 236 LYS HA . 30635 1 694 . 1 1 69 69 LYS HB2 H 1 1.675 0.03 . . . . . . A 236 LYS HB2 . 30635 1 695 . 1 1 69 69 LYS HB3 H 1 1.643 0.04 . . . . . . A 236 LYS HB3 . 30635 1 696 . 1 1 69 69 LYS HG2 H 1 1.373 0.00 . . . . . . A 236 LYS HG2 . 30635 1 697 . 1 1 69 69 LYS HG3 H 1 1.435 0.00 . . . . . . A 236 LYS HG3 . 30635 1 698 . 1 1 69 69 LYS HD3 H 1 1.622 0.00 . . . . . . A 236 LYS HD3 . 30635 1 699 . 1 1 69 69 LYS HE3 H 1 2.951 0.00 . . . . . . A 236 LYS HE3 . 30635 1 700 . 1 1 69 69 LYS C C 13 178.792 0.00 . . . . . . A 236 LYS C . 30635 1 701 . 1 1 69 69 LYS CA C 13 56.705 0.04 . . . . . . A 236 LYS CA . 30635 1 702 . 1 1 69 69 LYS CB C 13 32.246 0.04 . . . . . . A 236 LYS CB . 30635 1 703 . 1 1 69 69 LYS CG C 13 24.838 0.05 . . . . . . A 236 LYS CG . 30635 1 704 . 1 1 69 69 LYS CD C 13 29.113 0.08 . . . . . . A 236 LYS CD . 30635 1 705 . 1 1 69 69 LYS CE C 13 41.825 0.08 . . . . . . A 236 LYS CE . 30635 1 706 . 1 1 69 69 LYS N N 15 126.818 0.03 . . . . . . A 236 LYS N . 30635 1 707 . 1 1 70 70 GLY H H 1 9.347 0.00 . . . . . . A 237 GLY H . 30635 1 708 . 1 1 70 70 GLY HA2 H 1 3.918 0.00 . . . . . . A 237 GLY HA2 . 30635 1 709 . 1 1 70 70 GLY HA3 H 1 3.747 0.00 . . . . . . A 237 GLY HA3 . 30635 1 710 . 1 1 70 70 GLY C C 13 174.653 0.00 . . . . . . A 237 GLY C . 30635 1 711 . 1 1 70 70 GLY CA C 13 46.958 0.02 . . . . . . A 237 GLY CA . 30635 1 712 . 1 1 70 70 GLY N N 15 113.099 0.04 . . . . . . A 237 GLY N . 30635 1 713 . 1 1 71 71 LYS H H 1 6.537 0.00 . . . . . . A 238 LYS H . 30635 1 714 . 1 1 71 71 LYS HA H 1 4.691 0.01 . . . . . . A 238 LYS HA . 30635 1 715 . 1 1 71 71 LYS HB2 H 1 1.856 0.36 . . . . . . A 238 LYS HB2 . 30635 1 716 . 1 1 71 71 LYS HB3 H 1 1.501 0.00 . . . . . . A 238 LYS HB3 . 30635 1 717 . 1 1 71 71 LYS HG2 H 1 1.266 0.00 . . . . . . A 238 LYS HG2 . 30635 1 718 . 1 1 71 71 LYS HD2 H 1 1.522 0.01 . . . . . . A 238 LYS HD2 . 30635 1 719 . 1 1 71 71 LYS HE2 H 1 2.926 0.00 . . . . . . A 238 LYS HE2 . 30635 1 720 . 1 1 71 71 LYS CA C 13 53.968 0.06 . . . . . . A 238 LYS CA . 30635 1 721 . 1 1 71 71 LYS CB C 13 32.036 0.03 . . . . . . A 238 LYS CB . 30635 1 722 . 1 1 71 71 LYS CG C 13 24.928 0.05 . . . . . . A 238 LYS CG . 30635 1 723 . 1 1 71 71 LYS CD C 13 28.245 0.14 . . . . . . A 238 LYS CD . 30635 1 724 . 1 1 71 71 LYS CE C 13 42.534 0.00 . . . . . . A 238 LYS CE . 30635 1 725 . 1 1 71 71 LYS N N 15 114.353 0.04 . . . . . . A 238 LYS N . 30635 1 726 . 1 1 72 72 GLY H H 1 8.214 0.00 . . . . . . A 239 GLY H . 30635 1 727 . 1 1 72 72 GLY HA2 H 1 3.895 0.00 . . . . . . A 239 GLY HA2 . 30635 1 728 . 1 1 72 72 GLY N N 15 107.999 0.03 . . . . . . A 239 GLY N . 30635 1 729 . 1 1 73 73 PHE H H 1 8.540 0.00 . . . . . . A 240 PHE H . 30635 1 730 . 1 1 73 73 PHE HA H 1 4.661 0.00 . . . . . . A 240 PHE HA . 30635 1 731 . 1 1 73 73 PHE HD1 H 1 7.211 0.00 . . . . . . A 240 PHE HD1 . 30635 1 732 . 1 1 73 73 PHE HD2 H 1 7.212 0.00 . . . . . . A 240 PHE HD2 . 30635 1 733 . 1 1 73 73 PHE HE1 H 1 7.322 0.00 . . . . . . A 240 PHE HE1 . 30635 1 734 . 1 1 73 73 PHE HE2 H 1 7.320 0.00 . . . . . . A 240 PHE HE2 . 30635 1 735 . 1 1 73 73 PHE CA C 13 56.526 0.04 . . . . . . A 240 PHE CA . 30635 1 736 . 1 1 73 73 PHE CD1 C 13 130.952 0.00 . . . . . . A 240 PHE CD1 . 30635 1 737 . 1 1 73 73 PHE CD2 C 13 131.019 0.03 . . . . . . A 240 PHE CD2 . 30635 1 738 . 1 1 73 73 PHE CE1 C 13 131.878 0.00 . . . . . . A 240 PHE CE1 . 30635 1 739 . 1 1 73 73 PHE CE2 C 13 131.807 0.05 . . . . . . A 240 PHE CE2 . 30635 1 740 . 1 1 73 73 PHE N N 15 120.115 0.00 . . . . . . A 240 PHE N . 30635 1 741 . 1 1 74 74 PRO HA H 1 4.574 0.00 . . . . . . A 241 PRO HA . 30635 1 742 . 1 1 74 74 PRO HB2 H 1 1.980 0.00 . . . . . . A 241 PRO HB2 . 30635 1 743 . 1 1 74 74 PRO HG3 H 1 2.042 0.00 . . . . . . A 241 PRO HG3 . 30635 1 744 . 1 1 74 74 PRO C C 13 175.232 0.00 . . . . . . A 241 PRO C . 30635 1 745 . 1 1 74 74 PRO CA C 13 63.319 0.01 . . . . . . A 241 PRO CA . 30635 1 746 . 1 1 74 74 PRO CB C 13 32.339 0.02 . . . . . . A 241 PRO CB . 30635 1 747 . 1 1 74 74 PRO CG C 13 27.315 0.02 . . . . . . A 241 PRO CG . 30635 1 748 . 1 1 75 75 GLY H H 1 7.838 0.00 . . . . . . A 242 GLY H . 30635 1 749 . 1 1 75 75 GLY HA2 H 1 4.383 0.00 . . . . . . A 242 GLY HA2 . 30635 1 750 . 1 1 75 75 GLY CA C 13 44.999 0.03 . . . . . . A 242 GLY CA . 30635 1 751 . 1 1 75 75 GLY N N 15 109.729 0.05 . . . . . . A 242 GLY N . 30635 1 752 . 1 1 76 76 PRO HA H 1 4.318 0.00 . . . . . . A 243 PRO HA . 30635 1 753 . 1 1 76 76 PRO HB2 H 1 2.360 0.01 . . . . . . A 243 PRO HB2 . 30635 1 754 . 1 1 76 76 PRO HB3 H 1 1.961 0.00 . . . . . . A 243 PRO HB3 . 30635 1 755 . 1 1 76 76 PRO HG2 H 1 2.042 0.00 . . . . . . A 243 PRO HG2 . 30635 1 756 . 1 1 76 76 PRO HD2 H 1 3.687 0.00 . . . . . . A 243 PRO HD2 . 30635 1 757 . 1 1 76 76 PRO HD3 H 1 3.547 0.00 . . . . . . A 243 PRO HD3 . 30635 1 758 . 1 1 76 76 PRO C C 13 177.412 0.00 . . . . . . A 243 PRO C . 30635 1 759 . 1 1 76 76 PRO CA C 13 64.892 0.02 . . . . . . A 243 PRO CA . 30635 1 760 . 1 1 76 76 PRO CB C 13 32.027 0.04 . . . . . . A 243 PRO CB . 30635 1 761 . 1 1 76 76 PRO CG C 13 27.241 0.05 . . . . . . A 243 PRO CG . 30635 1 762 . 1 1 76 76 PRO CD C 13 49.541 0.01 . . . . . . A 243 PRO CD . 30635 1 763 . 1 1 77 77 ALA H H 1 8.600 0.00 . . . . . . A 244 ALA H . 30635 1 764 . 1 1 77 77 ALA HA H 1 4.617 0.00 . . . . . . A 244 ALA HA . 30635 1 765 . 1 1 77 77 ALA HB1 H 1 1.338 0.00 . . . . . . A 244 ALA HB1 . 30635 1 766 . 1 1 77 77 ALA HB2 H 1 1.338 0.00 . . . . . . A 244 ALA HB2 . 30635 1 767 . 1 1 77 77 ALA HB3 H 1 1.338 0.00 . . . . . . A 244 ALA HB3 . 30635 1 768 . 1 1 77 77 ALA C C 13 176.684 0.00 . . . . . . A 244 ALA C . 30635 1 769 . 1 1 77 77 ALA CA C 13 51.230 0.03 . . . . . . A 244 ALA CA . 30635 1 770 . 1 1 77 77 ALA CB C 13 19.000 0.03 . . . . . . A 244 ALA CB . 30635 1 771 . 1 1 77 77 ALA N N 15 120.002 0.04 . . . . . . A 244 ALA N . 30635 1 772 . 1 1 78 78 GLY H H 1 7.529 0.00 . . . . . . A 245 GLY H . 30635 1 773 . 1 1 78 78 GLY HA2 H 1 4.444 0.00 . . . . . . A 245 GLY HA2 . 30635 1 774 . 1 1 78 78 GLY CA C 13 44.162 0.02 . . . . . . A 245 GLY CA . 30635 1 775 . 1 1 78 78 GLY N N 15 108.012 0.04 . . . . . . A 245 GLY N . 30635 1 776 . 1 1 79 79 ARG H H 1 8.520 0.00 . . . . . . A 246 ARG H . 30635 1 777 . 1 1 79 79 ARG HA H 1 4.699 0.01 . . . . . . A 246 ARG HA . 30635 1 778 . 1 1 79 79 ARG HB2 H 1 2.224 0.00 . . . . . . A 246 ARG HB2 . 30635 1 779 . 1 1 79 79 ARG HB3 H 1 1.552 0.06 . . . . . . A 246 ARG HB3 . 30635 1 780 . 1 1 79 79 ARG HG2 H 1 1.238 0.00 . . . . . . A 246 ARG HG2 . 30635 1 781 . 1 1 79 79 ARG C C 13 175.728 0.00 . . . . . . A 246 ARG C . 30635 1 782 . 1 1 79 79 ARG CA C 13 53.932 0.05 . . . . . . A 246 ARG CA . 30635 1 783 . 1 1 79 79 ARG CB C 13 32.158 0.05 . . . . . . A 246 ARG CB . 30635 1 784 . 1 1 79 79 ARG CG C 13 24.903 0.04 . . . . . . A 246 ARG CG . 30635 1 785 . 1 1 79 79 ARG N N 15 120.192 0.10 . . . . . . A 246 ARG N . 30635 1 786 . 1 1 80 80 GLY H H 1 8.152 0.04 . . . . . . A 247 GLY H . 30635 1 787 . 1 1 80 80 GLY HA2 H 1 4.312 0.00 . . . . . . A 247 GLY HA2 . 30635 1 788 . 1 1 80 80 GLY HA3 H 1 3.794 0.01 . . . . . . A 247 GLY HA3 . 30635 1 789 . 1 1 80 80 GLY C C 13 172.578 0.00 . . . . . . A 247 GLY C . 30635 1 790 . 1 1 80 80 GLY CA C 13 44.070 0.02 . . . . . . A 247 GLY CA . 30635 1 791 . 1 1 80 80 GLY N N 15 107.945 0.10 . . . . . . A 247 GLY N . 30635 1 792 . 1 1 81 81 ASP H H 1 9.216 0.00 . . . . . . A 248 ASP H . 30635 1 793 . 1 1 81 81 ASP HA H 1 4.929 0.01 . . . . . . A 248 ASP HA . 30635 1 794 . 1 1 81 81 ASP HB2 H 1 1.825 0.01 . . . . . . A 248 ASP HB2 . 30635 1 795 . 1 1 81 81 ASP HB3 H 1 2.288 0.01 . . . . . . A 248 ASP HB3 . 30635 1 796 . 1 1 81 81 ASP C C 13 173.081 0.00 . . . . . . A 248 ASP C . 30635 1 797 . 1 1 81 81 ASP CA C 13 53.768 0.06 . . . . . . A 248 ASP CA . 30635 1 798 . 1 1 81 81 ASP CB C 13 44.018 0.05 . . . . . . A 248 ASP CB . 30635 1 799 . 1 1 81 81 ASP N N 15 119.373 0.05 . . . . . . A 248 ASP N . 30635 1 800 . 1 1 82 82 LEU H H 1 7.651 0.00 . . . . . . A 249 LEU H . 30635 1 801 . 1 1 82 82 LEU HA H 1 4.915 0.01 . . . . . . A 249 LEU HA . 30635 1 802 . 1 1 82 82 LEU HB2 H 1 1.660 0.00 . . . . . . A 249 LEU HB2 . 30635 1 803 . 1 1 82 82 LEU HB3 H 1 1.013 0.00 . . . . . . A 249 LEU HB3 . 30635 1 804 . 1 1 82 82 LEU HD11 H 1 0.857 0.00 . . . . . . A 249 LEU HD11 . 30635 1 805 . 1 1 82 82 LEU HD12 H 1 0.857 0.00 . . . . . . A 249 LEU HD12 . 30635 1 806 . 1 1 82 82 LEU HD13 H 1 0.857 0.00 . . . . . . A 249 LEU HD13 . 30635 1 807 . 1 1 82 82 LEU HD21 H 1 0.751 0.00 . . . . . . A 249 LEU HD21 . 30635 1 808 . 1 1 82 82 LEU HD22 H 1 0.751 0.00 . . . . . . A 249 LEU HD22 . 30635 1 809 . 1 1 82 82 LEU HD23 H 1 0.751 0.00 . . . . . . A 249 LEU HD23 . 30635 1 810 . 1 1 82 82 LEU C C 13 173.677 0.00 . . . . . . A 249 LEU C . 30635 1 811 . 1 1 82 82 LEU CA C 13 52.877 0.09 . . . . . . A 249 LEU CA . 30635 1 812 . 1 1 82 82 LEU CB C 13 45.793 0.04 . . . . . . A 249 LEU CB . 30635 1 813 . 1 1 82 82 LEU CD1 C 13 26.504 0.05 . . . . . . A 249 LEU CD1 . 30635 1 814 . 1 1 82 82 LEU CD2 C 13 23.442 0.05 . . . . . . A 249 LEU CD2 . 30635 1 815 . 1 1 82 82 LEU N N 15 121.279 0.04 . . . . . . A 249 LEU N . 30635 1 816 . 1 1 83 83 TYR H H 1 9.226 0.00 . . . . . . A 250 TYR H . 30635 1 817 . 1 1 83 83 TYR HA H 1 4.968 0.00 . . . . . . A 250 TYR HA . 30635 1 818 . 1 1 83 83 TYR HB2 H 1 2.504 0.00 . . . . . . A 250 TYR HB2 . 30635 1 819 . 1 1 83 83 TYR HB3 H 1 2.393 0.00 . . . . . . A 250 TYR HB3 . 30635 1 820 . 1 1 83 83 TYR HD1 H 1 6.593 0.00 . . . . . . A 250 TYR HD1 . 30635 1 821 . 1 1 83 83 TYR HD2 H 1 6.594 0.00 . . . . . . A 250 TYR HD2 . 30635 1 822 . 1 1 83 83 TYR HE1 H 1 6.716 0.00 . . . . . . A 250 TYR HE1 . 30635 1 823 . 1 1 83 83 TYR HE2 H 1 6.719 0.00 . . . . . . A 250 TYR HE2 . 30635 1 824 . 1 1 83 83 TYR C C 13 174.697 0.00 . . . . . . A 250 TYR C . 30635 1 825 . 1 1 83 83 TYR CA C 13 57.056 0.03 . . . . . . A 250 TYR CA . 30635 1 826 . 1 1 83 83 TYR CB C 13 40.997 0.06 . . . . . . A 250 TYR CB . 30635 1 827 . 1 1 83 83 TYR CD1 C 13 132.910 0.00 . . . . . . A 250 TYR CD1 . 30635 1 828 . 1 1 83 83 TYR CD2 C 13 132.860 0.00 . . . . . . A 250 TYR CD2 . 30635 1 829 . 1 1 83 83 TYR CE1 C 13 117.556 0.00 . . . . . . A 250 TYR CE1 . 30635 1 830 . 1 1 83 83 TYR CE2 C 13 117.576 0.00 . . . . . . A 250 TYR CE2 . 30635 1 831 . 1 1 83 83 TYR N N 15 125.796 0.04 . . . . . . A 250 TYR N . 30635 1 832 . 1 1 84 84 LEU H H 1 9.038 0.00 . . . . . . A 251 LEU H . 30635 1 833 . 1 1 84 84 LEU HA H 1 5.076 0.00 . . . . . . A 251 LEU HA . 30635 1 834 . 1 1 84 84 LEU HB2 H 1 1.718 0.00 . . . . . . A 251 LEU HB2 . 30635 1 835 . 1 1 84 84 LEU HB3 H 1 1.196 0.00 . . . . . . A 251 LEU HB3 . 30635 1 836 . 1 1 84 84 LEU HD11 H 1 0.752 0.00 . . . . . . A 251 LEU HD11 . 30635 1 837 . 1 1 84 84 LEU HD12 H 1 0.752 0.00 . . . . . . A 251 LEU HD12 . 30635 1 838 . 1 1 84 84 LEU HD13 H 1 0.752 0.00 . . . . . . A 251 LEU HD13 . 30635 1 839 . 1 1 84 84 LEU HD21 H 1 0.770 0.00 . . . . . . A 251 LEU HD21 . 30635 1 840 . 1 1 84 84 LEU HD22 H 1 0.770 0.00 . . . . . . A 251 LEU HD22 . 30635 1 841 . 1 1 84 84 LEU HD23 H 1 0.770 0.00 . . . . . . A 251 LEU HD23 . 30635 1 842 . 1 1 84 84 LEU C C 13 175.473 0.00 . . . . . . A 251 LEU C . 30635 1 843 . 1 1 84 84 LEU CA C 13 51.931 0.02 . . . . . . A 251 LEU CA . 30635 1 844 . 1 1 84 84 LEU CB C 13 43.890 0.03 . . . . . . A 251 LEU CB . 30635 1 845 . 1 1 84 84 LEU CD1 C 13 27.372 0.00 . . . . . . A 251 LEU CD1 . 30635 1 846 . 1 1 84 84 LEU CD2 C 13 24.431 0.07 . . . . . . A 251 LEU CD2 . 30635 1 847 . 1 1 84 84 LEU N N 15 122.439 0.06 . . . . . . A 251 LEU N . 30635 1 848 . 1 1 85 85 GLU H H 1 9.033 0.01 . . . . . . A 252 GLU H . 30635 1 849 . 1 1 85 85 GLU HA H 1 4.799 0.00 . . . . . . A 252 GLU HA . 30635 1 850 . 1 1 85 85 GLU HB2 H 1 2.020 0.00 . . . . . . A 252 GLU HB2 . 30635 1 851 . 1 1 85 85 GLU HB3 H 1 1.980 0.01 . . . . . . A 252 GLU HB3 . 30635 1 852 . 1 1 85 85 GLU C C 13 176.023 0.00 . . . . . . A 252 GLU C . 30635 1 853 . 1 1 85 85 GLU CA C 13 55.064 0.00 . . . . . . A 252 GLU CA . 30635 1 854 . 1 1 85 85 GLU CB C 13 31.380 0.01 . . . . . . A 252 GLU CB . 30635 1 855 . 1 1 85 85 GLU N N 15 124.581 0.08 . . . . . . A 252 GLU N . 30635 1 856 . 1 1 86 86 VAL H H 1 8.982 0.00 . . . . . . A 253 VAL H . 30635 1 857 . 1 1 86 86 VAL HA H 1 4.279 0.00 . . . . . . A 253 VAL HA . 30635 1 858 . 1 1 86 86 VAL HB H 1 2.135 0.00 . . . . . . A 253 VAL HB . 30635 1 859 . 1 1 86 86 VAL HG11 H 1 0.701 0.00 . . . . . . A 253 VAL HG11 . 30635 1 860 . 1 1 86 86 VAL HG12 H 1 0.701 0.00 . . . . . . A 253 VAL HG12 . 30635 1 861 . 1 1 86 86 VAL HG13 H 1 0.701 0.00 . . . . . . A 253 VAL HG13 . 30635 1 862 . 1 1 86 86 VAL HG21 H 1 0.976 0.01 . . . . . . A 253 VAL HG21 . 30635 1 863 . 1 1 86 86 VAL HG22 H 1 0.976 0.01 . . . . . . A 253 VAL HG22 . 30635 1 864 . 1 1 86 86 VAL HG23 H 1 0.976 0.01 . . . . . . A 253 VAL HG23 . 30635 1 865 . 1 1 86 86 VAL C C 13 176.177 0.00 . . . . . . A 253 VAL C . 30635 1 866 . 1 1 86 86 VAL CA C 13 64.721 0.04 . . . . . . A 253 VAL CA . 30635 1 867 . 1 1 86 86 VAL CB C 13 32.365 0.04 . . . . . . A 253 VAL CB . 30635 1 868 . 1 1 86 86 VAL CG1 C 13 21.274 0.05 . . . . . . A 253 VAL CG1 . 30635 1 869 . 1 1 86 86 VAL CG2 C 13 22.332 0.05 . . . . . . A 253 VAL CG2 . 30635 1 870 . 1 1 86 86 VAL N N 15 128.209 0.04 . . . . . . A 253 VAL N . 30635 1 871 . 1 1 87 87 ARG H H 1 9.375 0.00 . . . . . . A 254 ARG H . 30635 1 872 . 1 1 87 87 ARG HA H 1 4.567 0.01 . . . . . . A 254 ARG HA . 30635 1 873 . 1 1 87 87 ARG HB2 H 1 1.935 0.00 . . . . . . A 254 ARG HB2 . 30635 1 874 . 1 1 87 87 ARG HB3 H 1 1.744 0.01 . . . . . . A 254 ARG HB3 . 30635 1 875 . 1 1 87 87 ARG HG3 H 1 1.417 0.00 . . . . . . A 254 ARG HG3 . 30635 1 876 . 1 1 87 87 ARG HD2 H 1 3.201 0.00 . . . . . . A 254 ARG HD2 . 30635 1 877 . 1 1 87 87 ARG C C 13 173.885 0.00 . . . . . . A 254 ARG C . 30635 1 878 . 1 1 87 87 ARG CA C 13 55.136 0.02 . . . . . . A 254 ARG CA . 30635 1 879 . 1 1 87 87 ARG CB C 13 32.560 0.08 . . . . . . A 254 ARG CB . 30635 1 880 . 1 1 87 87 ARG CG C 13 27.044 0.09 . . . . . . A 254 ARG CG . 30635 1 881 . 1 1 87 87 ARG CD C 13 43.697 0.03 . . . . . . A 254 ARG CD . 30635 1 882 . 1 1 87 87 ARG N N 15 133.675 0.05 . . . . . . A 254 ARG N . 30635 1 883 . 1 1 88 88 ILE H H 1 8.378 0.00 . . . . . . A 255 ILE H . 30635 1 884 . 1 1 88 88 ILE HA H 1 5.042 0.00 . . . . . . A 255 ILE HA . 30635 1 885 . 1 1 88 88 ILE HB H 1 1.914 0.00 . . . . . . A 255 ILE HB . 30635 1 886 . 1 1 88 88 ILE HG12 H 1 1.153 0.00 . . . . . . A 255 ILE HG12 . 30635 1 887 . 1 1 88 88 ILE HG13 H 1 1.493 0.00 . . . . . . A 255 ILE HG13 . 30635 1 888 . 1 1 88 88 ILE HG21 H 1 0.995 0.00 . . . . . . A 255 ILE HG21 . 30635 1 889 . 1 1 88 88 ILE HG22 H 1 0.995 0.00 . . . . . . A 255 ILE HG22 . 30635 1 890 . 1 1 88 88 ILE HG23 H 1 0.995 0.00 . . . . . . A 255 ILE HG23 . 30635 1 891 . 1 1 88 88 ILE HD11 H 1 0.633 0.00 . . . . . . A 255 ILE HD11 . 30635 1 892 . 1 1 88 88 ILE HD12 H 1 0.633 0.00 . . . . . . A 255 ILE HD12 . 30635 1 893 . 1 1 88 88 ILE HD13 H 1 0.633 0.00 . . . . . . A 255 ILE HD13 . 30635 1 894 . 1 1 88 88 ILE C C 13 176.913 0.00 . . . . . . A 255 ILE C . 30635 1 895 . 1 1 88 88 ILE CA C 13 59.189 0.03 . . . . . . A 255 ILE CA . 30635 1 896 . 1 1 88 88 ILE CB C 13 36.783 0.05 . . . . . . A 255 ILE CB . 30635 1 897 . 1 1 88 88 ILE CG1 C 13 27.499 0.03 . . . . . . A 255 ILE CG1 . 30635 1 898 . 1 1 88 88 ILE CG2 C 13 17.340 0.03 . . . . . . A 255 ILE CG2 . 30635 1 899 . 1 1 88 88 ILE CD1 C 13 11.181 0.01 . . . . . . A 255 ILE CD1 . 30635 1 900 . 1 1 88 88 ILE N N 15 126.093 0.04 . . . . . . A 255 ILE N . 30635 1 901 . 1 1 89 89 THR H H 1 8.418 0.00 . . . . . . A 256 THR H . 30635 1 902 . 1 1 89 89 THR HB H 1 4.329 0.00 . . . . . . A 256 THR HB . 30635 1 903 . 1 1 89 89 THR HG21 H 1 0.962 0.00 . . . . . . A 256 THR HG21 . 30635 1 904 . 1 1 89 89 THR HG22 H 1 0.962 0.00 . . . . . . A 256 THR HG22 . 30635 1 905 . 1 1 89 89 THR HG23 H 1 0.962 0.00 . . . . . . A 256 THR HG23 . 30635 1 906 . 1 1 89 89 THR CA C 13 62.171 0.01 . . . . . . A 256 THR CA . 30635 1 907 . 1 1 89 89 THR CB C 13 70.303 0.02 . . . . . . A 256 THR CB . 30635 1 908 . 1 1 89 89 THR CG2 C 13 22.285 0.04 . . . . . . A 256 THR CG2 . 30635 1 909 . 1 1 89 89 THR N N 15 127.046 0.06 . . . . . . A 256 THR N . 30635 1 stop_ save_