data_30634 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30634 _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' 30634 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. . . . 30634 2 P. Rossi P. . . . 30634 3 C. Kalodimos C. G. . . 30634 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 30634 'Client Recognition' . 30634 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30634 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 320 30634 '15N chemical shifts' 63 30634 '1H chemical shifts' 481 30634 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 . 30634 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6PRI . 30634 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30634 _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. . . . 30634 1 2 P. Rossi P. . . . 30634 1 3 C. Kalodimos C. G. . . 30634 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30634 _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 . . . . . . 30634 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30634 _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 ; MSQLRIAAYGPHGSGGSGGS 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 9053.400 _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 30634 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 . 30634 1 2 169 SER . 30634 1 3 170 GLN . 30634 1 4 171 LEU . 30634 1 5 172 ARG . 30634 1 6 173 ILE . 30634 1 7 174 ALA . 30634 1 8 175 ALA . 30634 1 9 176 TYR . 30634 1 10 177 GLY . 30634 1 11 178 PRO . 30634 1 12 179 HIS . 30634 1 13 180 GLY . 30634 1 14 181 SER . 30634 1 15 182 GLY . 30634 1 16 183 GLY . 30634 1 17 184 SER . 30634 1 18 185 GLY . 30634 1 19 186 GLY . 30634 1 20 187 SER . 30634 1 21 188 GLY . 30634 1 22 189 GLY . 30634 1 23 190 SER . 30634 1 24 191 GLN . 30634 1 25 192 ASP . 30634 1 26 193 LEU . 30634 1 27 194 TYR . 30634 1 28 195 ALA . 30634 1 29 196 THR . 30634 1 30 197 LEU . 30634 1 31 198 ASP . 30634 1 32 199 VAL . 30634 1 33 200 PRO . 30634 1 34 201 ALA . 30634 1 35 202 PRO . 30634 1 36 203 ILE . 30634 1 37 204 ALA . 30634 1 38 205 VAL . 30634 1 39 206 VAL . 30634 1 40 207 GLY . 30634 1 41 208 GLY . 30634 1 42 209 LYS . 30634 1 43 210 VAL . 30634 1 44 211 ARG . 30634 1 45 212 ALA . 30634 1 46 213 MET . 30634 1 47 214 THR . 30634 1 48 215 LEU . 30634 1 49 216 GLU . 30634 1 50 217 GLY . 30634 1 51 218 PRO . 30634 1 52 219 VAL . 30634 1 53 220 GLU . 30634 1 54 221 VAL . 30634 1 55 222 ALA . 30634 1 56 223 VAL . 30634 1 57 224 PRO . 30634 1 58 225 PRO . 30634 1 59 226 ARG . 30634 1 60 227 THR . 30634 1 61 228 GLN . 30634 1 62 229 ALA . 30634 1 63 230 GLY . 30634 1 64 231 ARG . 30634 1 65 232 LYS . 30634 1 66 233 LEU . 30634 1 67 234 ARG . 30634 1 68 235 LEU . 30634 1 69 236 LYS . 30634 1 70 237 GLY . 30634 1 71 238 LYS . 30634 1 72 239 GLY . 30634 1 73 240 PHE . 30634 1 74 241 PRO . 30634 1 75 242 GLY . 30634 1 76 243 PRO . 30634 1 77 244 ALA . 30634 1 78 245 GLY . 30634 1 79 246 ARG . 30634 1 80 247 GLY . 30634 1 81 248 ASP . 30634 1 82 249 LEU . 30634 1 83 250 TYR . 30634 1 84 251 LEU . 30634 1 85 252 GLU . 30634 1 86 253 VAL . 30634 1 87 254 ARG . 30634 1 88 255 ILE . 30634 1 89 256 THR . 30634 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 30634 1 . SER 2 2 30634 1 . GLN 3 3 30634 1 . LEU 4 4 30634 1 . ARG 5 5 30634 1 . ILE 6 6 30634 1 . ALA 7 7 30634 1 . ALA 8 8 30634 1 . TYR 9 9 30634 1 . GLY 10 10 30634 1 . PRO 11 11 30634 1 . HIS 12 12 30634 1 . GLY 13 13 30634 1 . SER 14 14 30634 1 . GLY 15 15 30634 1 . GLY 16 16 30634 1 . SER 17 17 30634 1 . GLY 18 18 30634 1 . GLY 19 19 30634 1 . SER 20 20 30634 1 . GLY 21 21 30634 1 . GLY 22 22 30634 1 . SER 23 23 30634 1 . GLN 24 24 30634 1 . ASP 25 25 30634 1 . LEU 26 26 30634 1 . TYR 27 27 30634 1 . ALA 28 28 30634 1 . THR 29 29 30634 1 . LEU 30 30 30634 1 . ASP 31 31 30634 1 . VAL 32 32 30634 1 . PRO 33 33 30634 1 . ALA 34 34 30634 1 . PRO 35 35 30634 1 . ILE 36 36 30634 1 . ALA 37 37 30634 1 . VAL 38 38 30634 1 . VAL 39 39 30634 1 . GLY 40 40 30634 1 . GLY 41 41 30634 1 . LYS 42 42 30634 1 . VAL 43 43 30634 1 . ARG 44 44 30634 1 . ALA 45 45 30634 1 . MET 46 46 30634 1 . THR 47 47 30634 1 . LEU 48 48 30634 1 . GLU 49 49 30634 1 . GLY 50 50 30634 1 . PRO 51 51 30634 1 . VAL 52 52 30634 1 . GLU 53 53 30634 1 . VAL 54 54 30634 1 . ALA 55 55 30634 1 . VAL 56 56 30634 1 . PRO 57 57 30634 1 . PRO 58 58 30634 1 . ARG 59 59 30634 1 . THR 60 60 30634 1 . GLN 61 61 30634 1 . ALA 62 62 30634 1 . GLY 63 63 30634 1 . ARG 64 64 30634 1 . LYS 65 65 30634 1 . LEU 66 66 30634 1 . ARG 67 67 30634 1 . LEU 68 68 30634 1 . LYS 69 69 30634 1 . GLY 70 70 30634 1 . LYS 71 71 30634 1 . GLY 72 72 30634 1 . PHE 73 73 30634 1 . PRO 74 74 30634 1 . GLY 75 75 30634 1 . PRO 76 76 30634 1 . ALA 77 77 30634 1 . GLY 78 78 30634 1 . ARG 79 79 30634 1 . GLY 80 80 30634 1 . ASP 81 81 30634 1 . LEU 82 82 30634 1 . TYR 83 83 30634 1 . LEU 84 84 30634 1 . GLU 85 85 30634 1 . VAL 86 86 30634 1 . ARG 87 87 30634 1 . ILE 88 88 30634 1 . THR 89 89 30634 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 30634 _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' . 30634 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' . 30634 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 30634 _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) . . . . . . . . . 30634 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30634 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-100% 13C; U-100% 15N] F-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 F-CBD2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30634 1 2 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30634 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30634 1 4 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 30634 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 30634 _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 30634 1 pH 7.0 . pH 30634 1 pressure 1 . atm 30634 1 temperature 298 . K 30634 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30634 _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' . . 30634 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30634 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30634 _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' . . 30634 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30634 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30634 _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' . . 30634 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30634 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30634 _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 . . 30634 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30634 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30634 _Software.ID 5 _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' . . 30634 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 30634 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30634 _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' . . 30634 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30634 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30634 _Software.ID 7 _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' . . 30634 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30634 7 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 30634 _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 30634 _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 . . . 30634 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 30634 _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 . . . . . . . . . . . . . . . . 30634 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30634 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30634 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30634 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30634 1 6 '3D CCONH tocsy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30634 1 7 '3D CCH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30634 1 8 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30634 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30634 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30634 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 30634 _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 . . . . . 30634 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30634 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30634 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 30634 _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' . . . 30634 1 2 '2D 1H-13C HSQC' . . . 30634 1 3 '3D HNCACB' . . . 30634 1 4 '3D HNCO' . . . 30634 1 5 '3D HBHA(CO)NH' . . . 30634 1 6 '3D CCONH tocsy' . . . 30634 1 7 '3D CCH-NOESY' . . . 30634 1 8 '3D CCH-TOCSY' . . . 30634 1 9 '3D 1H-13C NOESY' . . . 30634 1 10 '3D 1H-15N NOESY' . . . 30634 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 HA H 1 4.472 0.00 . . . . . . A 168 MET HA . 30634 1 2 . 1 1 1 1 MET HB2 H 1 2.039 0.00 . . . . . . A 168 MET HB2 . 30634 1 3 . 1 1 1 1 MET HB3 H 1 1.969 0.00 . . . . . . A 168 MET HB3 . 30634 1 4 . 1 1 1 1 MET HG3 H 1 2.041 0.00 . . . . . . A 168 MET HG3 . 30634 1 5 . 1 1 1 1 MET C C 13 176.243 0.00 . . . . . . A 168 MET C . 30634 1 6 . 1 1 1 1 MET CA C 13 55.662 0.04 . . . . . . A 168 MET CA . 30634 1 7 . 1 1 1 1 MET CB C 13 32.724 0.07 . . . . . . A 168 MET CB . 30634 1 8 . 1 1 1 1 MET CE C 13 16.343 0.01 . . . . . . A 168 MET CG . 30634 1 9 . 1 1 2 2 SER H H 1 8.480 0.00 . . . . . . A 169 SER H . 30634 1 10 . 1 1 2 2 SER HA H 1 4.398 0.01 . . . . . . A 169 SER HA . 30634 1 11 . 1 1 2 2 SER HB3 H 1 3.890 0.00 . . . . . . A 169 SER HB3 . 30634 1 12 . 1 1 2 2 SER C C 13 174.602 0.00 . . . . . . A 169 SER C . 30634 1 13 . 1 1 2 2 SER CA C 13 58.847 0.01 . . . . . . A 169 SER CA . 30634 1 14 . 1 1 2 2 SER CB C 13 63.752 0.02 . . . . . . A 169 SER CB . 30634 1 15 . 1 1 2 2 SER N N 15 117.629 0.02 . . . . . . A 169 SER N . 30634 1 16 . 1 1 3 3 GLN H H 1 8.454 0.00 . . . . . . A 170 GLN H . 30634 1 17 . 1 1 3 3 GLN HA H 1 4.324 0.00 . . . . . . A 170 GLN HA . 30634 1 18 . 1 1 3 3 GLN HB2 H 1 2.112 0.00 . . . . . . A 170 GLN HB2 . 30634 1 19 . 1 1 3 3 GLN HB3 H 1 1.980 0.00 . . . . . . A 170 GLN HB3 . 30634 1 20 . 1 1 3 3 GLN HG2 H 1 2.355 0.01 . . . . . . A 170 GLN HG2 . 30634 1 21 . 1 1 3 3 GLN CA C 13 56.018 0.04 . . . . . . A 170 GLN CA . 30634 1 22 . 1 1 3 3 GLN CB C 13 29.375 0.04 . . . . . . A 170 GLN CB . 30634 1 23 . 1 1 3 3 GLN CG C 13 33.876 0.02 . . . . . . A 170 GLN CG . 30634 1 24 . 1 1 3 3 GLN N N 15 122.127 0.06 . . . . . . A 170 GLN N . 30634 1 25 . 1 1 4 4 LEU H H 1 8.154 0.00 . . . . . . A 171 LEU H . 30634 1 26 . 1 1 4 4 LEU HA H 1 4.315 0.00 . . . . . . A 171 LEU HA . 30634 1 27 . 1 1 4 4 LEU HB2 H 1 1.609 0.00 . . . . . . A 171 LEU HB2 . 30634 1 28 . 1 1 4 4 LEU HB3 H 1 1.521 0.01 . . . . . . A 171 LEU HB3 . 30634 1 29 . 1 1 4 4 LEU HG H 1 1.574 0.01 . . . . . . A 171 LEU HG . 30634 1 30 . 1 1 4 4 LEU HD11 H 1 0.834 0.01 . . . . . . A 171 LEU HD11 . 30634 1 31 . 1 1 4 4 LEU HD12 H 1 0.834 0.01 . . . . . . A 171 LEU HD12 . 30634 1 32 . 1 1 4 4 LEU HD13 H 1 0.834 0.01 . . . . . . A 171 LEU HD13 . 30634 1 33 . 1 1 4 4 LEU HD21 H 1 0.879 0.00 . . . . . . A 171 LEU HD21 . 30634 1 34 . 1 1 4 4 LEU HD22 H 1 0.879 0.00 . . . . . . A 171 LEU HD22 . 30634 1 35 . 1 1 4 4 LEU HD23 H 1 0.879 0.00 . . . . . . A 171 LEU HD23 . 30634 1 36 . 1 1 4 4 LEU C C 13 177.091 0.00 . . . . . . A 171 LEU C . 30634 1 37 . 1 1 4 4 LEU CA C 13 55.450 0.03 . . . . . . A 171 LEU CA . 30634 1 38 . 1 1 4 4 LEU CB C 13 42.454 0.03 . . . . . . A 171 LEU CB . 30634 1 39 . 1 1 4 4 LEU CG C 13 27.021 0.08 . . . . . . A 171 LEU CG . 30634 1 40 . 1 1 4 4 LEU CD1 C 13 23.753 0.05 . . . . . . A 171 LEU CD1 . 30634 1 41 . 1 1 4 4 LEU CD2 C 13 24.998 0.07 . . . . . . A 171 LEU CD2 . 30634 1 42 . 1 1 4 4 LEU N N 15 122.872 0.05 . . . . . . A 171 LEU N . 30634 1 43 . 1 1 5 5 ARG H H 1 8.321 0.00 . . . . . . A 172 ARG H . 30634 1 44 . 1 1 5 5 ARG HA H 1 4.363 0.01 . . . . . . A 172 ARG HA . 30634 1 45 . 1 1 5 5 ARG HB2 H 1 1.820 0.01 . . . . . . A 172 ARG HB2 . 30634 1 46 . 1 1 5 5 ARG HB3 H 1 1.760 0.01 . . . . . . A 172 ARG HB3 . 30634 1 47 . 1 1 5 5 ARG HG2 H 1 1.560 0.01 . . . . . . A 172 ARG HG2 . 30634 1 48 . 1 1 5 5 ARG HG3 H 1 1.613 0.01 . . . . . . A 172 ARG HG3 . 30634 1 49 . 1 1 5 5 ARG HD2 H 1 3.203 0.00 . . . . . . A 172 ARG HD2 . 30634 1 50 . 1 1 5 5 ARG HD3 H 1 3.166 0.00 . . . . . . A 172 ARG HD3 . 30634 1 51 . 1 1 5 5 ARG CA C 13 55.973 0.07 . . . . . . A 172 ARG CA . 30634 1 52 . 1 1 5 5 ARG CB C 13 30.729 0.06 . . . . . . A 172 ARG CB . 30634 1 53 . 1 1 5 5 ARG CG C 13 27.242 0.05 . . . . . . A 172 ARG CG . 30634 1 54 . 1 1 5 5 ARG CD C 13 43.357 0.03 . . . . . . A 172 ARG CD . 30634 1 55 . 1 1 5 5 ARG N N 15 122.363 0.02 . . . . . . A 172 ARG N . 30634 1 56 . 1 1 6 6 ILE H H 1 8.152 0.00 . . . . . . A 173 ILE H . 30634 1 57 . 1 1 6 6 ILE HA H 1 4.107 0.01 . . . . . . A 173 ILE HA . 30634 1 58 . 1 1 6 6 ILE HB H 1 1.817 0.01 . . . . . . A 173 ILE HB . 30634 1 59 . 1 1 6 6 ILE HG12 H 1 1.125 0.00 . . . . . . A 173 ILE HG12 . 30634 1 60 . 1 1 6 6 ILE HG13 H 1 1.447 0.01 . . . . . . A 173 ILE HG13 . 30634 1 61 . 1 1 6 6 ILE HG21 H 1 0.866 0.01 . . . . . . A 173 ILE HG21 . 30634 1 62 . 1 1 6 6 ILE HG22 H 1 0.866 0.01 . . . . . . A 173 ILE HG22 . 30634 1 63 . 1 1 6 6 ILE HG23 H 1 0.866 0.01 . . . . . . A 173 ILE HG23 . 30634 1 64 . 1 1 6 6 ILE HD11 H 1 0.825 0.01 . . . . . . A 173 ILE HD11 . 30634 1 65 . 1 1 6 6 ILE HD12 H 1 0.825 0.01 . . . . . . A 173 ILE HD12 . 30634 1 66 . 1 1 6 6 ILE HD13 H 1 0.825 0.01 . . . . . . A 173 ILE HD13 . 30634 1 67 . 1 1 6 6 ILE C C 13 175.996 0.00 . . . . . . A 173 ILE C . 30634 1 68 . 1 1 6 6 ILE CA C 13 61.218 0.07 . . . . . . A 173 ILE CA . 30634 1 69 . 1 1 6 6 ILE CB C 13 38.724 0.04 . . . . . . A 173 ILE CB . 30634 1 70 . 1 1 6 6 ILE CG1 C 13 27.428 0.04 . . . . . . A 173 ILE CG1 . 30634 1 71 . 1 1 6 6 ILE CG2 C 13 17.597 0.07 . . . . . . A 173 ILE CG2 . 30634 1 72 . 1 1 6 6 ILE CD1 C 13 12.984 0.05 . . . . . . A 173 ILE CD1 . 30634 1 73 . 1 1 6 6 ILE N N 15 122.341 0.02 . . . . . . A 173 ILE N . 30634 1 74 . 1 1 7 7 ALA H H 1 8.369 0.00 . . . . . . A 174 ALA H . 30634 1 75 . 1 1 7 7 ALA HA H 1 4.262 0.00 . . . . . . A 174 ALA HA . 30634 1 76 . 1 1 7 7 ALA HB1 H 1 1.322 0.00 . . . . . . A 174 ALA HB1 . 30634 1 77 . 1 1 7 7 ALA HB2 H 1 1.322 0.00 . . . . . . A 174 ALA HB2 . 30634 1 78 . 1 1 7 7 ALA HB3 H 1 1.322 0.00 . . . . . . A 174 ALA HB3 . 30634 1 79 . 1 1 7 7 ALA C C 13 177.069 0.00 . . . . . . A 174 ALA C . 30634 1 80 . 1 1 7 7 ALA CA C 13 52.461 0.04 . . . . . . A 174 ALA CA . 30634 1 81 . 1 1 7 7 ALA CB C 13 19.334 0.04 . . . . . . A 174 ALA CB . 30634 1 82 . 1 1 7 7 ALA N N 15 128.004 0.03 . . . . . . A 174 ALA N . 30634 1 83 . 1 1 8 8 ALA H H 1 8.096 0.00 . . . . . . A 175 ALA H . 30634 1 84 . 1 1 8 8 ALA HA H 1 4.257 0.00 . . . . . . A 175 ALA HA . 30634 1 85 . 1 1 8 8 ALA HB1 H 1 1.274 0.01 . . . . . . A 175 ALA HB1 . 30634 1 86 . 1 1 8 8 ALA HB2 H 1 1.274 0.01 . . . . . . A 175 ALA HB2 . 30634 1 87 . 1 1 8 8 ALA HB3 H 1 1.274 0.01 . . . . . . A 175 ALA HB3 . 30634 1 88 . 1 1 8 8 ALA C C 13 177.153 0.00 . . . . . . A 175 ALA C . 30634 1 89 . 1 1 8 8 ALA CA C 13 52.487 0.06 . . . . . . A 175 ALA CA . 30634 1 90 . 1 1 8 8 ALA CB C 13 19.400 0.03 . . . . . . A 175 ALA CB . 30634 1 91 . 1 1 8 8 ALA N N 15 122.674 0.01 . . . . . . A 175 ALA N . 30634 1 92 . 1 1 9 9 TYR H H 1 8.041 0.01 . . . . . . A 176 TYR H . 30634 1 93 . 1 1 9 9 TYR HA H 1 4.631 0.01 . . . . . . A 176 TYR HA . 30634 1 94 . 1 1 9 9 TYR HB2 H 1 3.079 0.01 . . . . . . A 176 TYR HB2 . 30634 1 95 . 1 1 9 9 TYR HB3 H 1 2.923 0.00 . . . . . . A 176 TYR HB3 . 30634 1 96 . 1 1 9 9 TYR HD1 H 1 7.095 0.00 . . . . . . A 176 TYR HD1 . 30634 1 97 . 1 1 9 9 TYR HD2 H 1 7.097 0.00 . . . . . . A 176 TYR HD2 . 30634 1 98 . 1 1 9 9 TYR HE1 H 1 6.776 0.00 . . . . . . A 176 TYR HE1 . 30634 1 99 . 1 1 9 9 TYR HE2 H 1 6.778 0.00 . . . . . . A 176 TYR HE2 . 30634 1 100 . 1 1 9 9 TYR C C 13 175.947 0.00 . . . . . . A 176 TYR C . 30634 1 101 . 1 1 9 9 TYR CA C 13 57.467 0.06 . . . . . . A 176 TYR CA . 30634 1 102 . 1 1 9 9 TYR CB C 13 39.138 0.04 . . . . . . A 176 TYR CB . 30634 1 103 . 1 1 9 9 TYR CD1 C 13 133.209 0.00 . . . . . . A 176 TYR CD1 . 30634 1 104 . 1 1 9 9 TYR CD2 C 13 133.261 0.00 . . . . . . A 176 TYR CD2 . 30634 1 105 . 1 1 9 9 TYR CE1 C 13 118.194 0.00 . . . . . . A 176 TYR CE1 . 30634 1 106 . 1 1 9 9 TYR CE2 C 13 118.188 0.00 . . . . . . A 176 TYR CE2 . 30634 1 107 . 1 1 9 9 TYR N N 15 118.602 0.02 . . . . . . A 176 TYR N . 30634 1 108 . 1 1 10 10 GLY H H 1 8.118 0.00 . . . . . . A 177 GLY H . 30634 1 109 . 1 1 10 10 GLY HA2 H 1 4.038 0.00 . . . . . . A 177 GLY HA2 . 30634 1 110 . 1 1 10 10 GLY CA C 13 44.743 0.02 . . . . . . A 177 GLY CA . 30634 1 111 . 1 1 10 10 GLY N N 15 109.983 0.02 . . . . . . A 177 GLY N . 30634 1 112 . 1 1 11 11 PRO HA H 1 4.359 0.01 . . . . . . A 178 PRO HA . 30634 1 113 . 1 1 11 11 PRO HB2 H 1 2.180 0.01 . . . . . . A 178 PRO HB2 . 30634 1 114 . 1 1 11 11 PRO HB3 H 1 1.763 0.00 . . . . . . A 178 PRO HB3 . 30634 1 115 . 1 1 11 11 PRO HG2 H 1 1.941 0.00 . . . . . . A 178 PRO HG2 . 30634 1 116 . 1 1 11 11 PRO HG3 H 1 1.819 0.01 . . . . . . A 178 PRO HG3 . 30634 1 117 . 1 1 11 11 PRO HD3 H 1 3.523 0.02 . . . . . . A 178 PRO HD3 . 30634 1 118 . 1 1 11 11 PRO C C 13 177.104 0.00 . . . . . . A 178 PRO C . 30634 1 119 . 1 1 11 11 PRO CA C 13 63.432 0.04 . . . . . . A 178 PRO CA . 30634 1 120 . 1 1 11 11 PRO CB C 13 32.028 0.05 . . . . . . A 178 PRO CB . 30634 1 121 . 1 1 11 11 PRO CG C 13 27.052 0.03 . . . . . . A 178 PRO CG . 30634 1 122 . 1 1 11 11 PRO CD C 13 49.791 0.03 . . . . . . A 178 PRO CD . 30634 1 123 . 1 1 12 12 HIS H H 1 8.436 0.00 . . . . . . A 179 HIS H . 30634 1 124 . 1 1 12 12 HIS HA H 1 4.629 0.01 . . . . . . A 179 HIS HA . 30634 1 125 . 1 1 12 12 HIS HB2 H 1 3.151 0.01 . . . . . . A 179 HIS HB2 . 30634 1 126 . 1 1 12 12 HIS HB3 H 1 3.070 0.00 . . . . . . A 179 HIS HB3 . 30634 1 127 . 1 1 12 12 HIS CA C 13 56.352 0.04 . . . . . . A 179 HIS CA . 30634 1 128 . 1 1 12 12 HIS CB C 13 30.519 0.08 . . . . . . A 179 HIS CB . 30634 1 129 . 1 1 12 12 HIS N N 15 119.106 0.06 . . . . . . A 179 HIS N . 30634 1 130 . 1 1 13 13 GLY HA2 H 1 3.984 0.00 . . . . . . A 180 GLY HA2 . 30634 1 131 . 1 1 13 13 GLY HA3 H 1 3.983 0.00 . . . . . . A 180 GLY HA3 . 30634 1 132 . 1 1 13 13 GLY CA C 13 45.305 0.03 . . . . . . A 180 GLY CA . 30634 1 133 . 1 1 14 14 SER HA H 1 4.443 0.00 . . . . . . A 181 SER HA . 30634 1 134 . 1 1 14 14 SER HB2 H 1 3.898 0.00 . . . . . . A 181 SER HB2 . 30634 1 135 . 1 1 14 14 SER CA C 13 58.558 0.01 . . . . . . A 181 SER CA . 30634 1 136 . 1 1 14 14 SER CB C 13 63.921 0.00 . . . . . . A 181 SER CB . 30634 1 137 . 1 1 21 21 GLY HA3 H 1 3.957 0.00 . . . . . . A 188 GLY HA3 . 30634 1 138 . 1 1 21 21 GLY CA C 13 45.460 0.00 . . . . . . A 188 GLY CA . 30634 1 139 . 1 1 22 22 GLY HA2 H 1 4.019 0.00 . . . . . . A 189 GLY HA2 . 30634 1 140 . 1 1 22 22 GLY CA C 13 45.458 0.00 . . . . . . A 189 GLY CA . 30634 1 141 . 1 1 23 23 SER HA H 1 4.492 0.00 . . . . . . A 190 SER HA . 30634 1 142 . 1 1 23 23 SER HB2 H 1 3.851 0.00 . . . . . . A 190 SER HB2 . 30634 1 143 . 1 1 23 23 SER HB3 H 1 3.982 0.01 . . . . . . A 190 SER HB3 . 30634 1 144 . 1 1 23 23 SER C C 13 174.944 0.00 . . . . . . A 190 SER C . 30634 1 145 . 1 1 23 23 SER CA C 13 58.440 0.07 . . . . . . A 190 SER CA . 30634 1 146 . 1 1 23 23 SER CB C 13 63.856 0.11 . . . . . . A 190 SER CB . 30634 1 147 . 1 1 24 24 GLN H H 1 8.708 0.00 . . . . . . A 191 GLN H . 30634 1 148 . 1 1 24 24 GLN HA H 1 4.637 0.01 . . . . . . A 191 GLN HA . 30634 1 149 . 1 1 24 24 GLN HG2 H 1 2.353 0.01 . . . . . . A 191 GLN HG2 . 30634 1 150 . 1 1 24 24 GLN HG3 H 1 2.432 0.01 . . . . . . A 191 GLN HG3 . 30634 1 151 . 1 1 24 24 GLN CA C 13 56.312 0.04 . . . . . . A 191 GLN CA . 30634 1 152 . 1 1 24 24 GLN CB C 13 29.416 0.02 . . . . . . A 191 GLN CB . 30634 1 153 . 1 1 24 24 GLN CG C 13 34.698 0.03 . . . . . . A 191 GLN CG . 30634 1 154 . 1 1 24 24 GLN N N 15 120.776 0.04 . . . . . . A 191 GLN N . 30634 1 155 . 1 1 25 25 ASP HA H 1 5.453 0.00 . . . . . . A 192 ASP HA . 30634 1 156 . 1 1 25 25 ASP CA C 13 54.256 0.02 . . . . . . A 192 ASP CA . 30634 1 157 . 1 1 26 26 LEU HA H 1 4.903 0.00 . . . . . . A 193 LEU HA . 30634 1 158 . 1 1 26 26 LEU HB2 H 1 1.449 0.01 . . . . . . A 193 LEU HB2 . 30634 1 159 . 1 1 26 26 LEU HB3 H 1 1.208 0.01 . . . . . . A 193 LEU HB3 . 30634 1 160 . 1 1 26 26 LEU HG H 1 1.329 0.01 . . . . . . A 193 LEU HG . 30634 1 161 . 1 1 26 26 LEU HD11 H 1 0.732 0.01 . . . . . . A 193 LEU HD11 . 30634 1 162 . 1 1 26 26 LEU HD12 H 1 0.732 0.01 . . . . . . A 193 LEU HD12 . 30634 1 163 . 1 1 26 26 LEU HD13 H 1 0.732 0.01 . . . . . . A 193 LEU HD13 . 30634 1 164 . 1 1 26 26 LEU HD21 H 1 0.566 0.01 . . . . . . A 193 LEU HD21 . 30634 1 165 . 1 1 26 26 LEU HD22 H 1 0.566 0.01 . . . . . . A 193 LEU HD22 . 30634 1 166 . 1 1 26 26 LEU HD23 H 1 0.566 0.01 . . . . . . A 193 LEU HD23 . 30634 1 167 . 1 1 26 26 LEU CA C 13 53.406 0.07 . . . . . . A 193 LEU CA . 30634 1 168 . 1 1 26 26 LEU CB C 13 46.776 0.06 . . . . . . A 193 LEU CB . 30634 1 169 . 1 1 26 26 LEU CG C 13 27.018 0.02 . . . . . . A 193 LEU CG . 30634 1 170 . 1 1 26 26 LEU CD1 C 13 24.856 0.11 . . . . . . A 193 LEU CD1 . 30634 1 171 . 1 1 26 26 LEU CD2 C 13 24.464 0.01 . . . . . . A 193 LEU CD2 . 30634 1 172 . 1 1 27 27 TYR HA H 1 5.479 0.01 . . . . . . A 194 TYR HA . 30634 1 173 . 1 1 27 27 TYR HB2 H 1 2.995 0.01 . . . . . . A 194 TYR HB2 . 30634 1 174 . 1 1 27 27 TYR HB3 H 1 2.837 0.01 . . . . . . A 194 TYR HB3 . 30634 1 175 . 1 1 27 27 TYR HD2 H 1 7.093 0.01 . . . . . . A 194 TYR HD2 . 30634 1 176 . 1 1 27 27 TYR HE1 H 1 6.446 0.00 . . . . . . A 194 TYR HE1 . 30634 1 177 . 1 1 27 27 TYR C C 13 174.627 0.00 . . . . . . A 194 TYR C . 30634 1 178 . 1 1 27 27 TYR CA C 13 57.002 0.02 . . . . . . A 194 TYR CA . 30634 1 179 . 1 1 27 27 TYR CB C 13 40.680 0.01 . . . . . . A 194 TYR CB . 30634 1 180 . 1 1 27 27 TYR CD2 C 13 133.223 0.00 . . . . . . A 194 TYR CD2 . 30634 1 181 . 1 1 27 27 TYR CE1 C 13 117.588 0.00 . . . . . . A 194 TYR CE1 . 30634 1 182 . 1 1 28 28 ALA H H 1 8.944 0.00 . . . . . . A 195 ALA H . 30634 1 183 . 1 1 28 28 ALA HA H 1 4.907 0.00 . . . . . . A 195 ALA HA . 30634 1 184 . 1 1 28 28 ALA HB1 H 1 1.493 0.01 . . . . . . A 195 ALA HB1 . 30634 1 185 . 1 1 28 28 ALA HB2 H 1 1.493 0.01 . . . . . . A 195 ALA HB2 . 30634 1 186 . 1 1 28 28 ALA HB3 H 1 1.493 0.01 . . . . . . A 195 ALA HB3 . 30634 1 187 . 1 1 28 28 ALA CA C 13 51.086 0.02 . . . . . . A 195 ALA CA . 30634 1 188 . 1 1 28 28 ALA CB C 13 22.894 0.05 . . . . . . A 195 ALA CB . 30634 1 189 . 1 1 28 28 ALA N N 15 124.862 0.02 . . . . . . A 195 ALA N . 30634 1 190 . 1 1 29 29 THR HA H 1 4.996 0.01 . . . . . . A 196 THR HA . 30634 1 191 . 1 1 29 29 THR HB H 1 4.031 0.00 . . . . . . A 196 THR HB . 30634 1 192 . 1 1 29 29 THR HG21 H 1 1.203 0.00 . . . . . . A 196 THR HG21 . 30634 1 193 . 1 1 29 29 THR HG22 H 1 1.203 0.00 . . . . . . A 196 THR HG22 . 30634 1 194 . 1 1 29 29 THR HG23 H 1 1.203 0.00 . . . . . . A 196 THR HG23 . 30634 1 195 . 1 1 29 29 THR C C 13 172.995 0.00 . . . . . . A 196 THR C . 30634 1 196 . 1 1 29 29 THR CA C 13 62.015 0.05 . . . . . . A 196 THR CA . 30634 1 197 . 1 1 29 29 THR CB C 13 70.953 0.03 . . . . . . A 196 THR CB . 30634 1 198 . 1 1 29 29 THR CG2 C 13 22.392 0.05 . . . . . . A 196 THR CG2 . 30634 1 199 . 1 1 30 30 LEU H H 1 8.730 0.00 . . . . . . A 197 LEU H . 30634 1 200 . 1 1 30 30 LEU HA H 1 4.666 0.01 . . . . . . A 197 LEU HA . 30634 1 201 . 1 1 30 30 LEU HB2 H 1 1.556 0.01 . . . . . . A 197 LEU HB2 . 30634 1 202 . 1 1 30 30 LEU HB3 H 1 1.197 0.01 . . . . . . A 197 LEU HB3 . 30634 1 203 . 1 1 30 30 LEU HG H 1 1.288 0.01 . . . . . . A 197 LEU HG . 30634 1 204 . 1 1 30 30 LEU HD11 H 1 0.578 0.01 . . . . . . A 197 LEU HD11 . 30634 1 205 . 1 1 30 30 LEU HD12 H 1 0.578 0.01 . . . . . . A 197 LEU HD12 . 30634 1 206 . 1 1 30 30 LEU HD13 H 1 0.578 0.01 . . . . . . A 197 LEU HD13 . 30634 1 207 . 1 1 30 30 LEU HD21 H 1 0.911 0.01 . . . . . . A 197 LEU HD21 . 30634 1 208 . 1 1 30 30 LEU HD22 H 1 0.911 0.01 . . . . . . A 197 LEU HD22 . 30634 1 209 . 1 1 30 30 LEU HD23 H 1 0.911 0.01 . . . . . . A 197 LEU HD23 . 30634 1 210 . 1 1 30 30 LEU C C 13 173.581 0.00 . . . . . . A 197 LEU C . 30634 1 211 . 1 1 30 30 LEU CA C 13 53.140 0.07 . . . . . . A 197 LEU CA . 30634 1 212 . 1 1 30 30 LEU CB C 13 47.188 0.06 . . . . . . A 197 LEU CB . 30634 1 213 . 1 1 30 30 LEU CG C 13 26.704 0.06 . . . . . . A 197 LEU CG . 30634 1 214 . 1 1 30 30 LEU CD1 C 13 26.483 0.03 . . . . . . A 197 LEU CD1 . 30634 1 215 . 1 1 30 30 LEU CD2 C 13 23.598 0.08 . . . . . . A 197 LEU CD2 . 30634 1 216 . 1 1 30 30 LEU N N 15 126.594 0.02 . . . . . . A 197 LEU N . 30634 1 217 . 1 1 31 31 ASP H H 1 8.623 0.00 . . . . . . A 198 ASP H . 30634 1 218 . 1 1 31 31 ASP HA H 1 5.180 0.00 . . . . . . A 198 ASP HA . 30634 1 219 . 1 1 31 31 ASP HB2 H 1 2.577 0.00 . . . . . . A 198 ASP HB2 . 30634 1 220 . 1 1 31 31 ASP C C 13 175.756 0.00 . . . . . . A 198 ASP C . 30634 1 221 . 1 1 31 31 ASP CA C 13 54.178 0.04 . . . . . . A 198 ASP CA . 30634 1 222 . 1 1 31 31 ASP CB C 13 40.736 0.05 . . . . . . A 198 ASP CB . 30634 1 223 . 1 1 31 31 ASP N N 15 129.680 0.02 . . . . . . A 198 ASP N . 30634 1 224 . 1 1 32 32 VAL H H 1 9.253 0.00 . . . . . . A 199 VAL H . 30634 1 225 . 1 1 32 32 VAL HA H 1 4.505 0.01 . . . . . . A 199 VAL HA . 30634 1 226 . 1 1 32 32 VAL HB H 1 1.921 0.01 . . . . . . A 199 VAL HB . 30634 1 227 . 1 1 32 32 VAL HG11 H 1 0.809 0.01 . . . . . . A 199 VAL HG11 . 30634 1 228 . 1 1 32 32 VAL HG12 H 1 0.809 0.01 . . . . . . A 199 VAL HG12 . 30634 1 229 . 1 1 32 32 VAL HG13 H 1 0.809 0.01 . . . . . . A 199 VAL HG13 . 30634 1 230 . 1 1 32 32 VAL HG21 H 1 0.864 0.01 . . . . . . A 199 VAL HG21 . 30634 1 231 . 1 1 32 32 VAL HG22 H 1 0.864 0.01 . . . . . . A 199 VAL HG22 . 30634 1 232 . 1 1 32 32 VAL HG23 H 1 0.864 0.01 . . . . . . A 199 VAL HG23 . 30634 1 233 . 1 1 32 32 VAL CA C 13 58.670 0.03 . . . . . . A 199 VAL CA . 30634 1 234 . 1 1 32 32 VAL CB C 13 34.978 0.03 . . . . . . A 199 VAL CB . 30634 1 235 . 1 1 32 32 VAL CG1 C 13 21.799 0.07 . . . . . . A 199 VAL CG1 . 30634 1 236 . 1 1 32 32 VAL CG2 C 13 23.076 0.04 . . . . . . A 199 VAL CG2 . 30634 1 237 . 1 1 32 32 VAL N N 15 124.886 0.03 . . . . . . A 199 VAL N . 30634 1 238 . 1 1 33 33 PRO HA H 1 4.667 0.01 . . . . . . A 200 PRO HA . 30634 1 239 . 1 1 33 33 PRO HB2 H 1 1.773 0.01 . . . . . . A 200 PRO HB2 . 30634 1 240 . 1 1 33 33 PRO HB3 H 1 2.482 0.01 . . . . . . A 200 PRO HB3 . 30634 1 241 . 1 1 33 33 PRO HG3 H 1 1.530 0.00 . . . . . . A 200 PRO HG3 . 30634 1 242 . 1 1 33 33 PRO HD2 H 1 3.926 0.01 . . . . . . A 200 PRO HD2 . 30634 1 243 . 1 1 33 33 PRO HD3 H 1 3.387 0.01 . . . . . . A 200 PRO HD3 . 30634 1 244 . 1 1 33 33 PRO C C 13 178.557 0.00 . . . . . . A 200 PRO C . 30634 1 245 . 1 1 33 33 PRO CA C 13 62.454 0.03 . . . . . . A 200 PRO CA . 30634 1 246 . 1 1 33 33 PRO CB C 13 33.244 0.05 . . . . . . A 200 PRO CB . 30634 1 247 . 1 1 33 33 PRO CG C 13 28.082 0.08 . . . . . . A 200 PRO CG . 30634 1 248 . 1 1 33 33 PRO CD C 13 51.243 0.03 . . . . . . A 200 PRO CD . 30634 1 249 . 1 1 34 34 ALA H H 1 9.025 0.00 . . . . . . A 201 ALA H . 30634 1 250 . 1 1 34 34 ALA HA H 1 4.179 0.01 . . . . . . A 201 ALA HA . 30634 1 251 . 1 1 34 34 ALA HB1 H 1 1.467 0.01 . . . . . . A 201 ALA HB1 . 30634 1 252 . 1 1 34 34 ALA HB2 H 1 1.467 0.01 . . . . . . A 201 ALA HB2 . 30634 1 253 . 1 1 34 34 ALA HB3 H 1 1.467 0.01 . . . . . . A 201 ALA HB3 . 30634 1 254 . 1 1 34 34 ALA CA C 13 57.119 0.03 . . . . . . A 201 ALA CA . 30634 1 255 . 1 1 34 34 ALA CB C 13 16.129 0.03 . . . . . . A 201 ALA CB . 30634 1 256 . 1 1 34 34 ALA N N 15 127.321 0.03 . . . . . . A 201 ALA N . 30634 1 257 . 1 1 35 35 PRO HA H 1 4.352 0.00 . . . . . . A 202 PRO HA . 30634 1 258 . 1 1 35 35 PRO HB2 H 1 1.832 0.01 . . . . . . A 202 PRO HB2 . 30634 1 259 . 1 1 35 35 PRO HB3 H 1 2.378 0.00 . . . . . . A 202 PRO HB3 . 30634 1 260 . 1 1 35 35 PRO HG3 H 1 2.028 0.01 . . . . . . A 202 PRO HG3 . 30634 1 261 . 1 1 35 35 PRO HD2 H 1 3.878 0.01 . . . . . . A 202 PRO HD2 . 30634 1 262 . 1 1 35 35 PRO HD3 H 1 3.553 0.01 . . . . . . A 202 PRO HD3 . 30634 1 263 . 1 1 35 35 PRO C C 13 179.882 0.00 . . . . . . A 202 PRO C . 30634 1 264 . 1 1 35 35 PRO CA C 13 66.204 0.02 . . . . . . A 202 PRO CA . 30634 1 265 . 1 1 35 35 PRO CB C 13 31.465 0.05 . . . . . . A 202 PRO CB . 30634 1 266 . 1 1 35 35 PRO CG C 13 27.291 0.00 . . . . . . A 202 PRO CG . 30634 1 267 . 1 1 35 35 PRO CD C 13 50.386 0.04 . . . . . . A 202 PRO CD . 30634 1 268 . 1 1 36 36 ILE H H 1 7.147 0.00 . . . . . . A 203 ILE H . 30634 1 269 . 1 1 36 36 ILE HA H 1 3.614 0.01 . . . . . . A 203 ILE HA . 30634 1 270 . 1 1 36 36 ILE HB H 1 1.861 0.01 . . . . . . A 203 ILE HB . 30634 1 271 . 1 1 36 36 ILE HG12 H 1 1.217 0.01 . . . . . . A 203 ILE HG12 . 30634 1 272 . 1 1 36 36 ILE HG13 H 1 1.564 0.00 . . . . . . A 203 ILE HG13 . 30634 1 273 . 1 1 36 36 ILE HG21 H 1 0.518 0.00 . . . . . . A 203 ILE HG21 . 30634 1 274 . 1 1 36 36 ILE HG22 H 1 0.518 0.00 . . . . . . A 203 ILE HG22 . 30634 1 275 . 1 1 36 36 ILE HG23 H 1 0.518 0.00 . . . . . . A 203 ILE HG23 . 30634 1 276 . 1 1 36 36 ILE HD11 H 1 0.810 0.01 . . . . . . A 203 ILE HD11 . 30634 1 277 . 1 1 36 36 ILE HD12 H 1 0.810 0.01 . . . . . . A 203 ILE HD12 . 30634 1 278 . 1 1 36 36 ILE HD13 H 1 0.810 0.01 . . . . . . A 203 ILE HD13 . 30634 1 279 . 1 1 36 36 ILE C C 13 176.741 0.00 . . . . . . A 203 ILE C . 30634 1 280 . 1 1 36 36 ILE CA C 13 62.660 0.02 . . . . . . A 203 ILE CA . 30634 1 281 . 1 1 36 36 ILE CB C 13 36.664 0.04 . . . . . . A 203 ILE CB . 30634 1 282 . 1 1 36 36 ILE CG1 C 13 28.479 0.07 . . . . . . A 203 ILE CG1 . 30634 1 283 . 1 1 36 36 ILE CG2 C 13 16.179 0.01 . . . . . . A 203 ILE CG2 . 30634 1 284 . 1 1 36 36 ILE CD1 C 13 11.803 0.06 . . . . . . A 203 ILE CD1 . 30634 1 285 . 1 1 36 36 ILE N N 15 116.552 0.02 . . . . . . A 203 ILE N . 30634 1 286 . 1 1 37 37 ALA H H 1 7.556 0.00 . . . . . . A 204 ALA H . 30634 1 287 . 1 1 37 37 ALA HA H 1 3.779 0.00 . . . . . . A 204 ALA HA . 30634 1 288 . 1 1 37 37 ALA HB1 H 1 1.388 0.01 . . . . . . A 204 ALA HB1 . 30634 1 289 . 1 1 37 37 ALA HB2 H 1 1.388 0.01 . . . . . . A 204 ALA HB2 . 30634 1 290 . 1 1 37 37 ALA HB3 H 1 1.388 0.01 . . . . . . A 204 ALA HB3 . 30634 1 291 . 1 1 37 37 ALA C C 13 177.758 0.00 . . . . . . A 204 ALA C . 30634 1 292 . 1 1 37 37 ALA CA C 13 54.988 0.02 . . . . . . A 204 ALA CA . 30634 1 293 . 1 1 37 37 ALA CB C 13 17.373 0.03 . . . . . . A 204 ALA CB . 30634 1 294 . 1 1 37 37 ALA N N 15 121.833 0.02 . . . . . . A 204 ALA N . 30634 1 295 . 1 1 38 38 VAL H H 1 7.321 0.00 . . . . . . A 205 VAL H . 30634 1 296 . 1 1 38 38 VAL HA H 1 3.756 0.01 . . . . . . A 205 VAL HA . 30634 1 297 . 1 1 38 38 VAL HB H 1 2.109 0.01 . . . . . . A 205 VAL HB . 30634 1 298 . 1 1 38 38 VAL HG11 H 1 1.084 0.01 . . . . . . A 205 VAL HG11 . 30634 1 299 . 1 1 38 38 VAL HG12 H 1 1.084 0.01 . . . . . . A 205 VAL HG12 . 30634 1 300 . 1 1 38 38 VAL HG13 H 1 1.084 0.01 . . . . . . A 205 VAL HG13 . 30634 1 301 . 1 1 38 38 VAL HG21 H 1 0.964 0.01 . . . . . . A 205 VAL HG21 . 30634 1 302 . 1 1 38 38 VAL HG22 H 1 0.964 0.01 . . . . . . A 205 VAL HG22 . 30634 1 303 . 1 1 38 38 VAL HG23 H 1 0.964 0.01 . . . . . . A 205 VAL HG23 . 30634 1 304 . 1 1 38 38 VAL C C 13 179.412 0.00 . . . . . . A 205 VAL C . 30634 1 305 . 1 1 38 38 VAL CA C 13 67.043 0.03 . . . . . . A 205 VAL CA . 30634 1 306 . 1 1 38 38 VAL CB C 13 32.329 0.05 . . . . . . A 205 VAL CB . 30634 1 307 . 1 1 38 38 VAL CG1 C 13 22.366 0.05 . . . . . . A 205 VAL CG1 . 30634 1 308 . 1 1 38 38 VAL CG2 C 13 21.294 0.04 . . . . . . A 205 VAL CG2 . 30634 1 309 . 1 1 38 38 VAL N N 15 111.994 0.03 . . . . . . A 205 VAL N . 30634 1 310 . 1 1 39 39 VAL H H 1 7.196 0.00 . . . . . . A 206 VAL H . 30634 1 311 . 1 1 39 39 VAL HA H 1 4.238 0.00 . . . . . . A 206 VAL HA . 30634 1 312 . 1 1 39 39 VAL HB H 1 2.322 0.01 . . . . . . A 206 VAL HB . 30634 1 313 . 1 1 39 39 VAL HG11 H 1 1.167 0.00 . . . . . . A 206 VAL HG11 . 30634 1 314 . 1 1 39 39 VAL HG12 H 1 1.167 0.00 . . . . . . A 206 VAL HG12 . 30634 1 315 . 1 1 39 39 VAL HG13 H 1 1.167 0.00 . . . . . . A 206 VAL HG13 . 30634 1 316 . 1 1 39 39 VAL HG21 H 1 1.087 0.01 . . . . . . A 206 VAL HG21 . 30634 1 317 . 1 1 39 39 VAL HG22 H 1 1.087 0.01 . . . . . . A 206 VAL HG22 . 30634 1 318 . 1 1 39 39 VAL HG23 H 1 1.087 0.01 . . . . . . A 206 VAL HG23 . 30634 1 319 . 1 1 39 39 VAL C C 13 177.412 0.00 . . . . . . A 206 VAL C . 30634 1 320 . 1 1 39 39 VAL CA C 13 63.178 0.06 . . . . . . A 206 VAL CA . 30634 1 321 . 1 1 39 39 VAL CB C 13 33.276 0.04 . . . . . . A 206 VAL CB . 30634 1 322 . 1 1 39 39 VAL CG1 C 13 19.710 0.05 . . . . . . A 206 VAL CG1 . 30634 1 323 . 1 1 39 39 VAL CG2 C 13 21.994 0.04 . . . . . . A 206 VAL CG2 . 30634 1 324 . 1 1 39 39 VAL N N 15 113.320 0.02 . . . . . . A 206 VAL N . 30634 1 325 . 1 1 40 40 GLY H H 1 8.435 0.00 . . . . . . A 207 GLY H . 30634 1 326 . 1 1 40 40 GLY HA2 H 1 4.091 0.01 . . . . . . A 207 GLY HA2 . 30634 1 327 . 1 1 40 40 GLY HA3 H 1 3.692 0.01 . . . . . . A 207 GLY HA3 . 30634 1 328 . 1 1 40 40 GLY C C 13 172.502 0.00 . . . . . . A 207 GLY C . 30634 1 329 . 1 1 40 40 GLY CA C 13 43.781 0.04 . . . . . . A 207 GLY CA . 30634 1 330 . 1 1 40 40 GLY N N 15 113.715 0.02 . . . . . . A 207 GLY N . 30634 1 331 . 1 1 41 41 GLY H H 1 8.175 0.01 . . . . . . A 208 GLY H . 30634 1 332 . 1 1 41 41 GLY HA2 H 1 3.910 0.00 . . . . . . A 208 GLY HA2 . 30634 1 333 . 1 1 41 41 GLY C C 13 171.292 0.00 . . . . . . A 208 GLY C . 30634 1 334 . 1 1 41 41 GLY CA C 13 45.576 0.00 . . . . . . A 208 GLY CA . 30634 1 335 . 1 1 41 41 GLY N N 15 104.899 0.03 . . . . . . A 208 GLY N . 30634 1 336 . 1 1 42 42 LYS H H 1 8.434 0.00 . . . . . . A 209 LYS H . 30634 1 337 . 1 1 42 42 LYS HA H 1 5.305 0.00 . . . . . . A 209 LYS HA . 30634 1 338 . 1 1 42 42 LYS HB2 H 1 1.638 0.00 . . . . . . A 209 LYS HB2 . 30634 1 339 . 1 1 42 42 LYS HB3 H 1 1.512 0.00 . . . . . . A 209 LYS HB3 . 30634 1 340 . 1 1 42 42 LYS HG2 H 1 1.440 0.00 . . . . . . A 209 LYS HG2 . 30634 1 341 . 1 1 42 42 LYS HG3 H 1 1.387 0.01 . . . . . . A 209 LYS HG3 . 30634 1 342 . 1 1 42 42 LYS HD2 H 1 1.548 0.01 . . . . . . A 209 LYS HD2 . 30634 1 343 . 1 1 42 42 LYS HD3 H 1 1.484 0.01 . . . . . . A 209 LYS HD3 . 30634 1 344 . 1 1 42 42 LYS HE2 H 1 3.001 0.01 . . . . . . A 209 LYS HE2 . 30634 1 345 . 1 1 42 42 LYS HE3 H 1 2.874 0.00 . . . . . . A 209 LYS HE3 . 30634 1 346 . 1 1 42 42 LYS C C 13 176.076 0.00 . . . . . . A 209 LYS C . 30634 1 347 . 1 1 42 42 LYS CA C 13 55.136 0.04 . . . . . . A 209 LYS CA . 30634 1 348 . 1 1 42 42 LYS CB C 13 35.059 0.04 . . . . . . A 209 LYS CB . 30634 1 349 . 1 1 42 42 LYS CG C 13 24.971 0.04 . . . . . . A 209 LYS CG . 30634 1 350 . 1 1 42 42 LYS CD C 13 29.267 0.03 . . . . . . A 209 LYS CD . 30634 1 351 . 1 1 42 42 LYS CE C 13 42.114 0.02 . . . . . . A 209 LYS CE . 30634 1 352 . 1 1 42 42 LYS N N 15 120.854 0.02 . . . . . . A 209 LYS N . 30634 1 353 . 1 1 43 43 VAL H H 1 8.700 0.00 . . . . . . A 210 VAL H . 30634 1 354 . 1 1 43 43 VAL HA H 1 4.509 0.01 . . . . . . A 210 VAL HA . 30634 1 355 . 1 1 43 43 VAL HB H 1 2.090 0.00 . . . . . . A 210 VAL HB . 30634 1 356 . 1 1 43 43 VAL HG11 H 1 0.835 0.01 . . . . . . A 210 VAL HG11 . 30634 1 357 . 1 1 43 43 VAL HG12 H 1 0.835 0.01 . . . . . . A 210 VAL HG12 . 30634 1 358 . 1 1 43 43 VAL HG13 H 1 0.835 0.01 . . . . . . A 210 VAL HG13 . 30634 1 359 . 1 1 43 43 VAL HG21 H 1 1.022 0.01 . . . . . . A 210 VAL HG21 . 30634 1 360 . 1 1 43 43 VAL HG22 H 1 1.022 0.01 . . . . . . A 210 VAL HG22 . 30634 1 361 . 1 1 43 43 VAL HG23 H 1 1.022 0.01 . . . . . . A 210 VAL HG23 . 30634 1 362 . 1 1 43 43 VAL C C 13 173.962 0.00 . . . . . . A 210 VAL C . 30634 1 363 . 1 1 43 43 VAL CA C 13 59.815 0.04 . . . . . . A 210 VAL CA . 30634 1 364 . 1 1 43 43 VAL CB C 13 35.730 0.05 . . . . . . A 210 VAL CB . 30634 1 365 . 1 1 43 43 VAL CG1 C 13 20.871 0.04 . . . . . . A 210 VAL CG1 . 30634 1 366 . 1 1 43 43 VAL CG2 C 13 22.196 0.04 . . . . . . A 210 VAL CG2 . 30634 1 367 . 1 1 43 43 VAL N N 15 117.687 0.02 . . . . . . A 210 VAL N . 30634 1 368 . 1 1 44 44 ARG H H 1 8.525 0.00 . . . . . . A 211 ARG H . 30634 1 369 . 1 1 44 44 ARG HB2 H 1 1.739 0.01 . . . . . . A 211 ARG HB2 . 30634 1 370 . 1 1 44 44 ARG HB3 H 1 1.666 0.01 . . . . . . A 211 ARG HB3 . 30634 1 371 . 1 1 44 44 ARG HG2 H 1 1.418 0.01 . . . . . . A 211 ARG HG2 . 30634 1 372 . 1 1 44 44 ARG HD2 H 1 3.127 0.00 . . . . . . A 211 ARG HD2 . 30634 1 373 . 1 1 44 44 ARG C C 13 174.967 0.00 . . . . . . A 211 ARG C . 30634 1 374 . 1 1 44 44 ARG CA C 13 55.903 0.08 . . . . . . A 211 ARG CA . 30634 1 375 . 1 1 44 44 ARG CB C 13 31.476 0.06 . . . . . . A 211 ARG CB . 30634 1 376 . 1 1 44 44 ARG CG C 13 27.787 0.03 . . . . . . A 211 ARG CG . 30634 1 377 . 1 1 44 44 ARG CD C 13 43.653 0.02 . . . . . . A 211 ARG CD . 30634 1 378 . 1 1 44 44 ARG N N 15 123.535 0.03 . . . . . . A 211 ARG N . 30634 1 379 . 1 1 45 45 ALA H H 1 9.037 0.00 . . . . . . A 212 ALA H . 30634 1 380 . 1 1 45 45 ALA HA H 1 4.651 0.01 . . . . . . A 212 ALA HA . 30634 1 381 . 1 1 45 45 ALA HB1 H 1 1.157 0.01 . . . . . . A 212 ALA HB1 . 30634 1 382 . 1 1 45 45 ALA HB2 H 1 1.157 0.01 . . . . . . A 212 ALA HB2 . 30634 1 383 . 1 1 45 45 ALA HB3 H 1 1.157 0.01 . . . . . . A 212 ALA HB3 . 30634 1 384 . 1 1 45 45 ALA CA C 13 50.213 0.06 . . . . . . A 212 ALA CA . 30634 1 385 . 1 1 45 45 ALA CB C 13 22.375 0.03 . . . . . . A 212 ALA CB . 30634 1 386 . 1 1 45 45 ALA N N 15 127.323 0.03 . . . . . . A 212 ALA N . 30634 1 387 . 1 1 46 46 MET H H 1 8.532 0.01 . . . . . . A 213 MET H . 30634 1 388 . 1 1 46 46 MET HG3 H 1 2.065 0.00 . . . . . . A 213 MET HG3 . 30634 1 389 . 1 1 46 46 MET CE C 13 16.939 0.01 . . . . . . A 213 MET CG . 30634 1 390 . 1 1 46 46 MET N N 15 120.391 0.04 . . . . . . A 213 MET N . 30634 1 391 . 1 1 47 47 THR HA H 1 4.560 0.00 . . . . . . A 214 THR HA . 30634 1 392 . 1 1 47 47 THR HB H 1 4.663 0.01 . . . . . . A 214 THR HB . 30634 1 393 . 1 1 47 47 THR HG21 H 1 0.963 0.01 . . . . . . A 214 THR HG21 . 30634 1 394 . 1 1 47 47 THR HG22 H 1 0.963 0.01 . . . . . . A 214 THR HG22 . 30634 1 395 . 1 1 47 47 THR HG23 H 1 0.963 0.01 . . . . . . A 214 THR HG23 . 30634 1 396 . 1 1 47 47 THR C C 13 175.910 0.00 . . . . . . A 214 THR C . 30634 1 397 . 1 1 47 47 THR CA C 13 59.913 0.05 . . . . . . A 214 THR CA . 30634 1 398 . 1 1 47 47 THR CB C 13 72.159 0.04 . . . . . . A 214 THR CB . 30634 1 399 . 1 1 47 47 THR CG2 C 13 21.575 0.08 . . . . . . A 214 THR CG2 . 30634 1 400 . 1 1 48 48 LEU H H 1 9.050 0.00 . . . . . . A 215 LEU H . 30634 1 401 . 1 1 48 48 LEU HA H 1 4.095 0.00 . . . . . . A 215 LEU HA . 30634 1 402 . 1 1 48 48 LEU HB2 H 1 1.618 0.01 . . . . . . A 215 LEU HB2 . 30634 1 403 . 1 1 48 48 LEU HB3 H 1 1.814 0.01 . . . . . . A 215 LEU HB3 . 30634 1 404 . 1 1 48 48 LEU HG H 1 1.731 0.01 . . . . . . A 215 LEU HG . 30634 1 405 . 1 1 48 48 LEU HD11 H 1 0.870 0.01 . . . . . . A 215 LEU HD11 . 30634 1 406 . 1 1 48 48 LEU HD12 H 1 0.870 0.01 . . . . . . A 215 LEU HD12 . 30634 1 407 . 1 1 48 48 LEU HD13 H 1 0.870 0.01 . . . . . . A 215 LEU HD13 . 30634 1 408 . 1 1 48 48 LEU HD21 H 1 0.905 0.01 . . . . . . A 215 LEU HD21 . 30634 1 409 . 1 1 48 48 LEU HD22 H 1 0.905 0.01 . . . . . . A 215 LEU HD22 . 30634 1 410 . 1 1 48 48 LEU HD23 H 1 0.905 0.01 . . . . . . A 215 LEU HD23 . 30634 1 411 . 1 1 48 48 LEU C C 13 177.988 0.00 . . . . . . A 215 LEU C . 30634 1 412 . 1 1 48 48 LEU CA C 13 57.884 0.03 . . . . . . A 215 LEU CA . 30634 1 413 . 1 1 48 48 LEU CB C 13 41.536 0.03 . . . . . . A 215 LEU CB . 30634 1 414 . 1 1 48 48 LEU CG C 13 27.327 0.07 . . . . . . A 215 LEU CG . 30634 1 415 . 1 1 48 48 LEU CD1 C 13 25.290 0.03 . . . . . . A 215 LEU CD1 . 30634 1 416 . 1 1 48 48 LEU CD2 C 13 23.368 0.03 . . . . . . A 215 LEU CD2 . 30634 1 417 . 1 1 48 48 LEU N N 15 121.052 0.06 . . . . . . A 215 LEU N . 30634 1 418 . 1 1 49 49 GLU H H 1 7.813 0.00 . . . . . . A 216 GLU H . 30634 1 419 . 1 1 49 49 GLU HA H 1 4.394 0.00 . . . . . . A 216 GLU HA . 30634 1 420 . 1 1 49 49 GLU HB2 H 1 2.180 0.01 . . . . . . A 216 GLU HB2 . 30634 1 421 . 1 1 49 49 GLU HG2 H 1 2.261 0.00 . . . . . . A 216 GLU HG2 . 30634 1 422 . 1 1 49 49 GLU HG3 H 1 2.082 0.00 . . . . . . A 216 GLU HG3 . 30634 1 423 . 1 1 49 49 GLU C C 13 175.544 0.00 . . . . . . A 216 GLU C . 30634 1 424 . 1 1 49 49 GLU CA C 13 56.231 0.04 . . . . . . A 216 GLU CA . 30634 1 425 . 1 1 49 49 GLU CB C 13 30.012 0.04 . . . . . . A 216 GLU CB . 30634 1 426 . 1 1 49 49 GLU CG C 13 37.147 0.03 . . . . . . A 216 GLU CG . 30634 1 427 . 1 1 49 49 GLU N N 15 115.227 0.02 . . . . . . A 216 GLU N . 30634 1 428 . 1 1 50 50 GLY H H 1 7.344 0.01 . . . . . . A 217 GLY H . 30634 1 429 . 1 1 50 50 GLY N N 15 108.115 0.05 . . . . . . A 217 GLY N . 30634 1 430 . 1 1 51 51 PRO HA H 1 5.194 0.00 . . . . . . A 218 PRO HA . 30634 1 431 . 1 1 51 51 PRO HB2 H 1 2.114 0.01 . . . . . . A 218 PRO HB2 . 30634 1 432 . 1 1 51 51 PRO HB3 H 1 1.812 0.01 . . . . . . A 218 PRO HB3 . 30634 1 433 . 1 1 51 51 PRO HG2 H 1 2.013 0.00 . . . . . . A 218 PRO HG2 . 30634 1 434 . 1 1 51 51 PRO HG3 H 1 2.037 0.00 . . . . . . A 218 PRO HG3 . 30634 1 435 . 1 1 51 51 PRO C C 13 177.255 0.00 . . . . . . A 218 PRO C . 30634 1 436 . 1 1 51 51 PRO CA C 13 62.926 0.03 . . . . . . A 218 PRO CA . 30634 1 437 . 1 1 51 51 PRO CB C 13 32.320 0.04 . . . . . . A 218 PRO CB . 30634 1 438 . 1 1 51 51 PRO CG C 13 27.354 0.05 . . . . . . A 218 PRO CG . 30634 1 439 . 1 1 51 51 PRO CD C 13 49.869 0.00 . . . . . . A 218 PRO CD . 30634 1 440 . 1 1 52 52 VAL H H 1 9.011 0.00 . . . . . . A 219 VAL H . 30634 1 441 . 1 1 52 52 VAL HA H 1 4.456 0.00 . . . . . . A 219 VAL HA . 30634 1 442 . 1 1 52 52 VAL HB H 1 1.933 0.01 . . . . . . A 219 VAL HB . 30634 1 443 . 1 1 52 52 VAL HG11 H 1 0.728 0.01 . . . . . . A 219 VAL HG11 . 30634 1 444 . 1 1 52 52 VAL HG12 H 1 0.728 0.01 . . . . . . A 219 VAL HG12 . 30634 1 445 . 1 1 52 52 VAL HG13 H 1 0.728 0.01 . . . . . . A 219 VAL HG13 . 30634 1 446 . 1 1 52 52 VAL HG21 H 1 0.777 0.01 . . . . . . A 219 VAL HG21 . 30634 1 447 . 1 1 52 52 VAL HG22 H 1 0.777 0.01 . . . . . . A 219 VAL HG22 . 30634 1 448 . 1 1 52 52 VAL HG23 H 1 0.777 0.01 . . . . . . A 219 VAL HG23 . 30634 1 449 . 1 1 52 52 VAL C C 13 174.060 0.00 . . . . . . A 219 VAL C . 30634 1 450 . 1 1 52 52 VAL CA C 13 59.985 0.04 . . . . . . A 219 VAL CA . 30634 1 451 . 1 1 52 52 VAL CB C 13 35.957 0.05 . . . . . . A 219 VAL CB . 30634 1 452 . 1 1 52 52 VAL CG1 C 13 20.458 0.04 . . . . . . A 219 VAL CG1 . 30634 1 453 . 1 1 52 52 VAL CG2 C 13 21.498 0.07 . . . . . . A 219 VAL CG2 . 30634 1 454 . 1 1 52 52 VAL N N 15 119.487 0.02 . . . . . . A 219 VAL N . 30634 1 455 . 1 1 53 53 GLU H H 1 8.479 0.00 . . . . . . A 220 GLU H . 30634 1 456 . 1 1 53 53 GLU HA H 1 4.684 0.01 . . . . . . A 220 GLU HA . 30634 1 457 . 1 1 53 53 GLU HB2 H 1 1.899 0.01 . . . . . . A 220 GLU HB2 . 30634 1 458 . 1 1 53 53 GLU HB3 H 1 1.748 0.01 . . . . . . A 220 GLU HB3 . 30634 1 459 . 1 1 53 53 GLU HG2 H 1 2.171 0.01 . . . . . . A 220 GLU HG2 . 30634 1 460 . 1 1 53 53 GLU HG3 H 1 1.940 0.01 . . . . . . A 220 GLU HG3 . 30634 1 461 . 1 1 53 53 GLU C C 13 175.487 0.00 . . . . . . A 220 GLU C . 30634 1 462 . 1 1 53 53 GLU CA C 13 55.981 0.05 . . . . . . A 220 GLU CA . 30634 1 463 . 1 1 53 53 GLU CB C 13 31.108 0.08 . . . . . . A 220 GLU CB . 30634 1 464 . 1 1 53 53 GLU CG C 13 37.294 0.02 . . . . . . A 220 GLU CG . 30634 1 465 . 1 1 53 53 GLU N N 15 123.123 0.02 . . . . . . A 220 GLU N . 30634 1 466 . 1 1 54 54 VAL H H 1 9.151 0.00 . . . . . . A 221 VAL H . 30634 1 467 . 1 1 54 54 VAL HA H 1 4.139 0.01 . . . . . . A 221 VAL HA . 30634 1 468 . 1 1 54 54 VAL HB H 1 1.859 0.01 . . . . . . A 221 VAL HB . 30634 1 469 . 1 1 54 54 VAL HG11 H 1 0.739 0.01 . . . . . . A 221 VAL HG11 . 30634 1 470 . 1 1 54 54 VAL HG12 H 1 0.739 0.01 . . . . . . A 221 VAL HG12 . 30634 1 471 . 1 1 54 54 VAL HG13 H 1 0.739 0.01 . . . . . . A 221 VAL HG13 . 30634 1 472 . 1 1 54 54 VAL HG21 H 1 0.701 0.01 . . . . . . A 221 VAL HG21 . 30634 1 473 . 1 1 54 54 VAL HG22 H 1 0.701 0.01 . . . . . . A 221 VAL HG22 . 30634 1 474 . 1 1 54 54 VAL HG23 H 1 0.701 0.01 . . . . . . A 221 VAL HG23 . 30634 1 475 . 1 1 54 54 VAL C C 13 174.011 0.00 . . . . . . A 221 VAL C . 30634 1 476 . 1 1 54 54 VAL CA C 13 60.898 0.06 . . . . . . A 221 VAL CA . 30634 1 477 . 1 1 54 54 VAL CB C 13 34.266 0.03 . . . . . . A 221 VAL CB . 30634 1 478 . 1 1 54 54 VAL CG1 C 13 21.798 0.07 . . . . . . A 221 VAL CG1 . 30634 1 479 . 1 1 54 54 VAL CG2 C 13 21.336 0.01 . . . . . . A 221 VAL CG2 . 30634 1 480 . 1 1 54 54 VAL N N 15 125.506 0.02 . . . . . . A 221 VAL N . 30634 1 481 . 1 1 55 55 ALA H H 1 8.438 0.00 . . . . . . A 222 ALA H . 30634 1 482 . 1 1 55 55 ALA HA H 1 4.516 0.00 . . . . . . A 222 ALA HA . 30634 1 483 . 1 1 55 55 ALA HB1 H 1 1.270 0.01 . . . . . . A 222 ALA HB1 . 30634 1 484 . 1 1 55 55 ALA HB2 H 1 1.270 0.01 . . . . . . A 222 ALA HB2 . 30634 1 485 . 1 1 55 55 ALA HB3 H 1 1.270 0.01 . . . . . . A 222 ALA HB3 . 30634 1 486 . 1 1 55 55 ALA C C 13 175.804 0.00 . . . . . . A 222 ALA C . 30634 1 487 . 1 1 55 55 ALA CA C 13 51.388 0.02 . . . . . . A 222 ALA CA . 30634 1 488 . 1 1 55 55 ALA CB C 13 18.470 0.03 . . . . . . A 222 ALA CB . 30634 1 489 . 1 1 55 55 ALA N N 15 128.394 0.02 . . . . . . A 222 ALA N . 30634 1 490 . 1 1 56 56 VAL H H 1 8.950 0.00 . . . . . . A 223 VAL H . 30634 1 491 . 1 1 56 56 VAL HA H 1 4.257 0.00 . . . . . . A 223 VAL HA . 30634 1 492 . 1 1 56 56 VAL HB H 1 1.985 0.01 . . . . . . A 223 VAL HB . 30634 1 493 . 1 1 56 56 VAL HG11 H 1 0.923 0.00 . . . . . . A 223 VAL HG11 . 30634 1 494 . 1 1 56 56 VAL HG12 H 1 0.923 0.00 . . . . . . A 223 VAL HG12 . 30634 1 495 . 1 1 56 56 VAL HG13 H 1 0.923 0.00 . . . . . . A 223 VAL HG13 . 30634 1 496 . 1 1 56 56 VAL CA C 13 59.396 0.03 . . . . . . A 223 VAL CA . 30634 1 497 . 1 1 56 56 VAL CB C 13 32.765 0.04 . . . . . . A 223 VAL CB . 30634 1 498 . 1 1 56 56 VAL CG1 C 13 21.152 0.04 . . . . . . A 223 VAL CG1 . 30634 1 499 . 1 1 56 56 VAL CG2 C 13 21.319 0.06 . . . . . . A 223 VAL CG2 . 30634 1 500 . 1 1 56 56 VAL N N 15 125.924 0.02 . . . . . . A 223 VAL N . 30634 1 501 . 1 1 57 57 PRO HA H 1 4.368 0.00 . . . . . . A 224 PRO HA . 30634 1 502 . 1 1 57 57 PRO HB2 H 1 2.424 0.01 . . . . . . A 224 PRO HB2 . 30634 1 503 . 1 1 57 57 PRO HB3 H 1 1.763 0.01 . . . . . . A 224 PRO HB3 . 30634 1 504 . 1 1 57 57 PRO HG2 H 1 1.941 0.00 . . . . . . A 224 PRO HG2 . 30634 1 505 . 1 1 57 57 PRO HG3 H 1 1.944 0.00 . . . . . . A 224 PRO HG3 . 30634 1 506 . 1 1 57 57 PRO HD2 H 1 3.612 0.00 . . . . . . A 224 PRO HD2 . 30634 1 507 . 1 1 57 57 PRO HD3 H 1 4.060 0.00 . . . . . . A 224 PRO HD3 . 30634 1 508 . 1 1 57 57 PRO CA C 13 63.489 0.02 . . . . . . A 224 PRO CA . 30634 1 509 . 1 1 57 57 PRO CB C 13 30.732 0.06 . . . . . . A 224 PRO CB . 30634 1 510 . 1 1 57 57 PRO CG C 13 27.084 0.05 . . . . . . A 224 PRO CG . 30634 1 511 . 1 1 57 57 PRO CD C 13 51.130 0.07 . . . . . . A 224 PRO CD . 30634 1 512 . 1 1 58 58 PRO HA H 1 3.999 0.01 . . . . . . A 225 PRO HA . 30634 1 513 . 1 1 58 58 PRO HB2 H 1 2.234 0.01 . . . . . . A 225 PRO HB2 . 30634 1 514 . 1 1 58 58 PRO HB3 H 1 1.789 0.02 . . . . . . A 225 PRO HB3 . 30634 1 515 . 1 1 58 58 PRO HD2 H 1 3.857 0.01 . . . . . . A 225 PRO HD2 . 30634 1 516 . 1 1 58 58 PRO HD3 H 1 3.550 0.01 . . . . . . A 225 PRO HD3 . 30634 1 517 . 1 1 58 58 PRO C C 13 175.733 0.00 . . . . . . A 225 PRO C . 30634 1 518 . 1 1 58 58 PRO CA C 13 63.115 0.03 . . . . . . A 225 PRO CA . 30634 1 519 . 1 1 58 58 PRO CB C 13 32.204 0.06 . . . . . . A 225 PRO CB . 30634 1 520 . 1 1 58 58 PRO CG C 13 27.393 0.04 . . . . . . A 225 PRO CG . 30634 1 521 . 1 1 58 58 PRO CD C 13 50.152 0.08 . . . . . . A 225 PRO CD . 30634 1 522 . 1 1 59 59 ARG H H 1 8.361 0.00 . . . . . . A 226 ARG H . 30634 1 523 . 1 1 59 59 ARG HA H 1 3.906 0.01 . . . . . . A 226 ARG HA . 30634 1 524 . 1 1 59 59 ARG HB2 H 1 2.070 0.01 . . . . . . A 226 ARG HB2 . 30634 1 525 . 1 1 59 59 ARG HB3 H 1 1.924 0.00 . . . . . . A 226 ARG HB3 . 30634 1 526 . 1 1 59 59 ARG HG2 H 1 1.722 0.00 . . . . . . A 226 ARG HG2 . 30634 1 527 . 1 1 59 59 ARG HG3 H 1 1.624 0.00 . . . . . . A 226 ARG HG3 . 30634 1 528 . 1 1 59 59 ARG HD3 H 1 3.308 0.00 . . . . . . A 226 ARG HD3 . 30634 1 529 . 1 1 59 59 ARG C C 13 176.430 0.00 . . . . . . A 226 ARG C . 30634 1 530 . 1 1 59 59 ARG CA C 13 56.755 0.04 . . . . . . A 226 ARG CA . 30634 1 531 . 1 1 59 59 ARG CB C 13 26.445 0.06 . . . . . . A 226 ARG CB . 30634 1 532 . 1 1 59 59 ARG CG C 13 27.770 0.09 . . . . . . A 226 ARG CG . 30634 1 533 . 1 1 59 59 ARG CD C 13 43.321 0.10 . . . . . . A 226 ARG CD . 30634 1 534 . 1 1 59 59 ARG N N 15 117.315 0.04 . . . . . . A 226 ARG N . 30634 1 535 . 1 1 60 60 THR H H 1 8.537 0.00 . . . . . . A 227 THR H . 30634 1 536 . 1 1 60 60 THR HA H 1 3.955 0.01 . . . . . . A 227 THR HA . 30634 1 537 . 1 1 60 60 THR HB H 1 3.935 0.01 . . . . . . A 227 THR HB . 30634 1 538 . 1 1 60 60 THR HG21 H 1 1.119 0.00 . . . . . . A 227 THR HG21 . 30634 1 539 . 1 1 60 60 THR HG22 H 1 1.119 0.00 . . . . . . A 227 THR HG22 . 30634 1 540 . 1 1 60 60 THR HG23 H 1 1.119 0.00 . . . . . . A 227 THR HG23 . 30634 1 541 . 1 1 60 60 THR C C 13 173.168 0.00 . . . . . . A 227 THR C . 30634 1 542 . 1 1 60 60 THR CA C 13 66.044 0.04 . . . . . . A 227 THR CA . 30634 1 543 . 1 1 60 60 THR CB C 13 69.258 0.02 . . . . . . A 227 THR CB . 30634 1 544 . 1 1 60 60 THR CG2 C 13 23.379 0.03 . . . . . . A 227 THR CG2 . 30634 1 545 . 1 1 60 60 THR N N 15 120.127 0.04 . . . . . . A 227 THR N . 30634 1 546 . 1 1 61 61 GLN H H 1 8.189 0.00 . . . . . . A 228 GLN H . 30634 1 547 . 1 1 61 61 GLN HA H 1 4.467 0.00 . . . . . . A 228 GLN HA . 30634 1 548 . 1 1 61 61 GLN HB2 H 1 2.179 0.00 . . . . . . A 228 GLN HB2 . 30634 1 549 . 1 1 61 61 GLN HB3 H 1 1.884 0.01 . . . . . . A 228 GLN HB3 . 30634 1 550 . 1 1 61 61 GLN HG3 H 1 2.382 0.00 . . . . . . A 228 GLN HG3 . 30634 1 551 . 1 1 61 61 GLN C C 13 174.801 0.00 . . . . . . A 228 GLN C . 30634 1 552 . 1 1 61 61 GLN CA C 13 53.458 0.03 . . . . . . A 228 GLN CA . 30634 1 553 . 1 1 61 61 GLN CB C 13 31.506 0.05 . . . . . . A 228 GLN CB . 30634 1 554 . 1 1 61 61 GLN CG C 13 33.988 0.05 . . . . . . A 228 GLN CG . 30634 1 555 . 1 1 61 61 GLN N N 15 125.395 0.02 . . . . . . A 228 GLN N . 30634 1 556 . 1 1 62 62 ALA H H 1 8.544 0.01 . . . . . . A 229 ALA H . 30634 1 557 . 1 1 62 62 ALA HA H 1 3.856 0.00 . . . . . . A 229 ALA HA . 30634 1 558 . 1 1 62 62 ALA HB1 H 1 1.472 0.01 . . . . . . A 229 ALA HB1 . 30634 1 559 . 1 1 62 62 ALA HB2 H 1 1.472 0.01 . . . . . . A 229 ALA HB2 . 30634 1 560 . 1 1 62 62 ALA HB3 H 1 1.472 0.01 . . . . . . A 229 ALA HB3 . 30634 1 561 . 1 1 62 62 ALA C C 13 178.847 0.00 . . . . . . A 229 ALA C . 30634 1 562 . 1 1 62 62 ALA CA C 13 53.617 0.03 . . . . . . A 229 ALA CA . 30634 1 563 . 1 1 62 62 ALA CB C 13 18.563 0.02 . . . . . . A 229 ALA CB . 30634 1 564 . 1 1 62 62 ALA N N 15 121.946 0.04 . . . . . . A 229 ALA N . 30634 1 565 . 1 1 63 63 GLY H H 1 9.129 0.01 . . . . . . A 230 GLY H . 30634 1 566 . 1 1 63 63 GLY HA2 H 1 4.411 0.01 . . . . . . A 230 GLY HA2 . 30634 1 567 . 1 1 63 63 GLY HA3 H 1 3.648 0.00 . . . . . . A 230 GLY HA3 . 30634 1 568 . 1 1 63 63 GLY C C 13 174.294 0.00 . . . . . . A 230 GLY C . 30634 1 569 . 1 1 63 63 GLY CA C 13 44.992 0.03 . . . . . . A 230 GLY CA . 30634 1 570 . 1 1 63 63 GLY N N 15 111.197 0.02 . . . . . . A 230 GLY N . 30634 1 571 . 1 1 64 64 ARG H H 1 7.616 0.00 . . . . . . A 231 ARG H . 30634 1 572 . 1 1 64 64 ARG HA H 1 4.156 0.00 . . . . . . A 231 ARG HA . 30634 1 573 . 1 1 64 64 ARG HB2 H 1 1.724 0.01 . . . . . . A 231 ARG HB2 . 30634 1 574 . 1 1 64 64 ARG HB3 H 1 2.193 0.01 . . . . . . A 231 ARG HB3 . 30634 1 575 . 1 1 64 64 ARG HG3 H 1 1.584 0.01 . . . . . . A 231 ARG HG3 . 30634 1 576 . 1 1 64 64 ARG HD2 H 1 3.458 0.00 . . . . . . A 231 ARG HD2 . 30634 1 577 . 1 1 64 64 ARG C C 13 174.896 0.00 . . . . . . A 231 ARG C . 30634 1 578 . 1 1 64 64 ARG CA C 13 56.820 0.03 . . . . . . A 231 ARG CA . 30634 1 579 . 1 1 64 64 ARG CB C 13 30.747 0.05 . . . . . . A 231 ARG CB . 30634 1 580 . 1 1 64 64 ARG CG C 13 27.727 0.06 . . . . . . A 231 ARG CG . 30634 1 581 . 1 1 64 64 ARG CD C 13 43.603 0.04 . . . . . . A 231 ARG CD . 30634 1 582 . 1 1 64 64 ARG N N 15 121.866 0.02 . . . . . . A 231 ARG N . 30634 1 583 . 1 1 65 65 LYS H H 1 8.731 0.00 . . . . . . A 232 LYS H . 30634 1 584 . 1 1 65 65 LYS HA H 1 5.358 0.00 . . . . . . A 232 LYS HA . 30634 1 585 . 1 1 65 65 LYS HB2 H 1 1.659 0.01 . . . . . . A 232 LYS HB2 . 30634 1 586 . 1 1 65 65 LYS HB3 H 1 1.963 0.01 . . . . . . A 232 LYS HB3 . 30634 1 587 . 1 1 65 65 LYS HG2 H 1 1.666 0.01 . . . . . . A 232 LYS HG2 . 30634 1 588 . 1 1 65 65 LYS HG3 H 1 1.411 0.01 . . . . . . A 232 LYS HG3 . 30634 1 589 . 1 1 65 65 LYS HD2 H 1 1.731 0.01 . . . . . . A 232 LYS HD2 . 30634 1 590 . 1 1 65 65 LYS HD3 H 1 1.689 0.01 . . . . . . A 232 LYS HD3 . 30634 1 591 . 1 1 65 65 LYS HE3 H 1 3.006 0.01 . . . . . . A 232 LYS HE3 . 30634 1 592 . 1 1 65 65 LYS C C 13 176.622 0.00 . . . . . . A 232 LYS C . 30634 1 593 . 1 1 65 65 LYS CA C 13 54.871 0.03 . . . . . . A 232 LYS CA . 30634 1 594 . 1 1 65 65 LYS CB C 13 33.834 0.04 . . . . . . A 232 LYS CB . 30634 1 595 . 1 1 65 65 LYS CG C 13 25.688 0.07 . . . . . . A 232 LYS CG . 30634 1 596 . 1 1 65 65 LYS CD C 13 29.406 0.04 . . . . . . A 232 LYS CD . 30634 1 597 . 1 1 65 65 LYS CE C 13 42.103 0.05 . . . . . . A 232 LYS CE . 30634 1 598 . 1 1 65 65 LYS N N 15 124.127 0.02 . . . . . . A 232 LYS N . 30634 1 599 . 1 1 66 66 LEU H H 1 9.357 0.00 . . . . . . A 233 LEU H . 30634 1 600 . 1 1 66 66 LEU HA H 1 4.652 0.01 . . . . . . A 233 LEU HA . 30634 1 601 . 1 1 66 66 LEU HB2 H 1 1.649 0.01 . . . . . . A 233 LEU HB2 . 30634 1 602 . 1 1 66 66 LEU HB3 H 1 1.421 0.01 . . . . . . A 233 LEU HB3 . 30634 1 603 . 1 1 66 66 LEU HG H 1 1.629 0.00 . . . . . . A 233 LEU HG . 30634 1 604 . 1 1 66 66 LEU HD11 H 1 0.839 0.01 . . . . . . A 233 LEU HD11 . 30634 1 605 . 1 1 66 66 LEU HD12 H 1 0.839 0.01 . . . . . . A 233 LEU HD12 . 30634 1 606 . 1 1 66 66 LEU HD13 H 1 0.839 0.01 . . . . . . A 233 LEU HD13 . 30634 1 607 . 1 1 66 66 LEU HD21 H 1 0.756 0.01 . . . . . . A 233 LEU HD21 . 30634 1 608 . 1 1 66 66 LEU HD22 H 1 0.756 0.01 . . . . . . A 233 LEU HD22 . 30634 1 609 . 1 1 66 66 LEU HD23 H 1 0.756 0.01 . . . . . . A 233 LEU HD23 . 30634 1 610 . 1 1 66 66 LEU C C 13 174.891 0.00 . . . . . . A 233 LEU C . 30634 1 611 . 1 1 66 66 LEU CA C 13 53.664 0.06 . . . . . . A 233 LEU CA . 30634 1 612 . 1 1 66 66 LEU CB C 13 42.535 0.06 . . . . . . A 233 LEU CB . 30634 1 613 . 1 1 66 66 LEU CG C 13 27.221 0.03 . . . . . . A 233 LEU CG . 30634 1 614 . 1 1 66 66 LEU CD1 C 13 22.929 0.04 . . . . . . A 233 LEU CD1 . 30634 1 615 . 1 1 66 66 LEU CD2 C 13 26.067 0.05 . . . . . . A 233 LEU CD2 . 30634 1 616 . 1 1 66 66 LEU N N 15 126.780 0.03 . . . . . . A 233 LEU N . 30634 1 617 . 1 1 67 67 ARG H H 1 8.588 0.00 . . . . . . A 234 ARG H . 30634 1 618 . 1 1 67 67 ARG HA H 1 4.427 0.01 . . . . . . A 234 ARG HA . 30634 1 619 . 1 1 67 67 ARG HB2 H 1 1.536 0.00 . . . . . . A 234 ARG HB2 . 30634 1 620 . 1 1 67 67 ARG HB3 H 1 1.756 0.02 . . . . . . A 234 ARG HB3 . 30634 1 621 . 1 1 67 67 ARG HG2 H 1 1.555 0.00 . . . . . . A 234 ARG HG2 . 30634 1 622 . 1 1 67 67 ARG HG3 H 1 1.630 0.01 . . . . . . A 234 ARG HG3 . 30634 1 623 . 1 1 67 67 ARG HD2 H 1 3.208 0.01 . . . . . . A 234 ARG HD2 . 30634 1 624 . 1 1 67 67 ARG HD3 H 1 3.036 0.01 . . . . . . A 234 ARG HD3 . 30634 1 625 . 1 1 67 67 ARG C C 13 175.137 0.00 . . . . . . A 234 ARG C . 30634 1 626 . 1 1 67 67 ARG CA C 13 55.107 0.04 . . . . . . A 234 ARG CA . 30634 1 627 . 1 1 67 67 ARG CB C 13 32.743 0.03 . . . . . . A 234 ARG CB . 30634 1 628 . 1 1 67 67 ARG CG C 13 27.176 0.07 . . . . . . A 234 ARG CG . 30634 1 629 . 1 1 67 67 ARG CD C 13 43.633 0.07 . . . . . . A 234 ARG CD . 30634 1 630 . 1 1 67 67 ARG N N 15 123.490 0.03 . . . . . . A 234 ARG N . 30634 1 631 . 1 1 68 68 LEU H H 1 9.473 0.00 . . . . . . A 235 LEU H . 30634 1 632 . 1 1 68 68 LEU HA H 1 4.626 0.01 . . . . . . A 235 LEU HA . 30634 1 633 . 1 1 68 68 LEU HB2 H 1 1.351 0.01 . . . . . . A 235 LEU HB2 . 30634 1 634 . 1 1 68 68 LEU HB3 H 1 1.612 0.01 . . . . . . A 235 LEU HB3 . 30634 1 635 . 1 1 68 68 LEU HG H 1 1.532 0.01 . . . . . . A 235 LEU HG . 30634 1 636 . 1 1 68 68 LEU HD11 H 1 0.730 0.01 . . . . . . A 235 LEU HD11 . 30634 1 637 . 1 1 68 68 LEU HD12 H 1 0.730 0.01 . . . . . . A 235 LEU HD12 . 30634 1 638 . 1 1 68 68 LEU HD13 H 1 0.730 0.01 . . . . . . A 235 LEU HD13 . 30634 1 639 . 1 1 68 68 LEU HD21 H 1 0.785 0.01 . . . . . . A 235 LEU HD21 . 30634 1 640 . 1 1 68 68 LEU HD22 H 1 0.785 0.01 . . . . . . A 235 LEU HD22 . 30634 1 641 . 1 1 68 68 LEU HD23 H 1 0.785 0.01 . . . . . . A 235 LEU HD23 . 30634 1 642 . 1 1 68 68 LEU C C 13 176.320 0.00 . . . . . . A 235 LEU C . 30634 1 643 . 1 1 68 68 LEU CA C 13 53.815 0.04 . . . . . . A 235 LEU CA . 30634 1 644 . 1 1 68 68 LEU CB C 13 41.256 0.06 . . . . . . A 235 LEU CB . 30634 1 645 . 1 1 68 68 LEU CG C 13 27.949 0.09 . . . . . . A 235 LEU CG . 30634 1 646 . 1 1 68 68 LEU CD1 C 13 25.073 0.03 . . . . . . A 235 LEU CD1 . 30634 1 647 . 1 1 68 68 LEU CD2 C 13 24.565 0.07 . . . . . . A 235 LEU CD2 . 30634 1 648 . 1 1 68 68 LEU N N 15 130.752 0.03 . . . . . . A 235 LEU N . 30634 1 649 . 1 1 69 69 LYS H H 1 8.586 0.01 . . . . . . A 236 LYS H . 30634 1 650 . 1 1 69 69 LYS HA H 1 4.052 0.01 . . . . . . A 236 LYS HA . 30634 1 651 . 1 1 69 69 LYS HB2 H 1 1.675 0.01 . . . . . . A 236 LYS HB2 . 30634 1 652 . 1 1 69 69 LYS HB3 H 1 1.689 0.01 . . . . . . A 236 LYS HB3 . 30634 1 653 . 1 1 69 69 LYS HG2 H 1 1.439 0.01 . . . . . . A 236 LYS HG2 . 30634 1 654 . 1 1 69 69 LYS HG3 H 1 1.237 0.00 . . . . . . A 236 LYS HG3 . 30634 1 655 . 1 1 69 69 LYS HD2 H 1 1.633 0.01 . . . . . . A 236 LYS HD2 . 30634 1 656 . 1 1 69 69 LYS HE2 H 1 2.953 0.00 . . . . . . A 236 LYS HE2 . 30634 1 657 . 1 1 69 69 LYS C C 13 178.810 0.00 . . . . . . A 236 LYS C . 30634 1 658 . 1 1 69 69 LYS CA C 13 56.734 0.06 . . . . . . A 236 LYS CA . 30634 1 659 . 1 1 69 69 LYS CB C 13 32.237 0.05 . . . . . . A 236 LYS CB . 30634 1 660 . 1 1 69 69 LYS CG C 13 24.894 0.03 . . . . . . A 236 LYS CG . 30634 1 661 . 1 1 69 69 LYS CD C 13 29.117 0.05 . . . . . . A 236 LYS CD . 30634 1 662 . 1 1 69 69 LYS CE C 13 41.834 0.04 . . . . . . A 236 LYS CE . 30634 1 663 . 1 1 69 69 LYS N N 15 126.784 0.03 . . . . . . A 236 LYS N . 30634 1 664 . 1 1 70 70 GLY H H 1 9.335 0.00 . . . . . . A 237 GLY H . 30634 1 665 . 1 1 70 70 GLY HA2 H 1 3.916 0.01 . . . . . . A 237 GLY HA2 . 30634 1 666 . 1 1 70 70 GLY HA3 H 1 3.746 0.01 . . . . . . A 237 GLY HA3 . 30634 1 667 . 1 1 70 70 GLY C C 13 174.646 0.00 . . . . . . A 237 GLY C . 30634 1 668 . 1 1 70 70 GLY CA C 13 46.956 0.06 . . . . . . A 237 GLY CA . 30634 1 669 . 1 1 70 70 GLY N N 15 113.009 0.02 . . . . . . A 237 GLY N . 30634 1 670 . 1 1 71 71 LYS H H 1 6.533 0.00 . . . . . . A 238 LYS H . 30634 1 671 . 1 1 71 71 LYS HA H 1 4.690 0.01 . . . . . . A 238 LYS HA . 30634 1 672 . 1 1 71 71 LYS HB2 H 1 1.497 0.01 . . . . . . A 238 LYS HB2 . 30634 1 673 . 1 1 71 71 LYS HB3 H 1 2.205 0.01 . . . . . . A 238 LYS HB3 . 30634 1 674 . 1 1 71 71 LYS HG3 H 1 1.242 0.01 . . . . . . A 238 LYS HG3 . 30634 1 675 . 1 1 71 71 LYS HE3 H 1 2.913 0.01 . . . . . . A 238 LYS HE3 . 30634 1 676 . 1 1 71 71 LYS C C 13 175.697 0.00 . . . . . . A 238 LYS C . 30634 1 677 . 1 1 71 71 LYS CA C 13 53.962 0.07 . . . . . . A 238 LYS CA . 30634 1 678 . 1 1 71 71 LYS CB C 13 32.093 0.04 . . . . . . A 238 LYS CB . 30634 1 679 . 1 1 71 71 LYS CG C 13 24.930 0.04 . . . . . . A 238 LYS CG . 30634 1 680 . 1 1 71 71 LYS CD C 13 28.098 0.00 . . . . . . A 238 LYS CD . 30634 1 681 . 1 1 71 71 LYS CE C 13 42.434 0.03 . . . . . . A 238 LYS CE . 30634 1 682 . 1 1 71 71 LYS N N 15 114.342 0.03 . . . . . . A 238 LYS N . 30634 1 683 . 1 1 72 72 GLY H H 1 8.208 0.01 . . . . . . A 239 GLY H . 30634 1 684 . 1 1 72 72 GLY HA2 H 1 4.096 0.01 . . . . . . A 239 GLY HA2 . 30634 1 685 . 1 1 72 72 GLY CA C 13 43.504 0.11 . . . . . . A 239 GLY CA . 30634 1 686 . 1 1 72 72 GLY N N 15 107.977 0.05 . . . . . . A 239 GLY N . 30634 1 687 . 1 1 73 73 PHE HA H 1 4.296 0.00 . . . . . . A 240 PHE HA . 30634 1 688 . 1 1 73 73 PHE HD2 H 1 7.222 0.00 . . . . . . A 240 PHE HD2 . 30634 1 689 . 1 1 73 73 PHE HE2 H 1 7.342 0.00 . . . . . . A 240 PHE HE2 . 30634 1 690 . 1 1 73 73 PHE CA C 13 56.474 0.00 . . . . . . A 240 PHE CA . 30634 1 691 . 1 1 73 73 PHE CD2 C 13 131.001 0.00 . . . . . . A 240 PHE CD2 . 30634 1 692 . 1 1 73 73 PHE CE2 C 13 131.846 0.00 . . . . . . A 240 PHE CE2 . 30634 1 693 . 1 1 74 74 PRO HA H 1 4.573 0.00 . . . . . . A 241 PRO HA . 30634 1 694 . 1 1 74 74 PRO HB2 H 1 1.981 0.01 . . . . . . A 241 PRO HB2 . 30634 1 695 . 1 1 74 74 PRO HB3 H 1 2.204 0.01 . . . . . . A 241 PRO HB3 . 30634 1 696 . 1 1 74 74 PRO HD2 H 1 3.816 0.01 . . . . . . A 241 PRO HD2 . 30634 1 697 . 1 1 74 74 PRO C C 13 175.286 0.00 . . . . . . A 241 PRO C . 30634 1 698 . 1 1 74 74 PRO CA C 13 63.337 0.05 . . . . . . A 241 PRO CA . 30634 1 699 . 1 1 74 74 PRO CB C 13 32.357 0.04 . . . . . . A 241 PRO CB . 30634 1 700 . 1 1 74 74 PRO CG C 13 27.357 0.04 . . . . . . A 241 PRO CG . 30634 1 701 . 1 1 74 74 PRO CD C 13 50.726 0.08 . . . . . . A 241 PRO CD . 30634 1 702 . 1 1 75 75 GLY H H 1 7.845 0.00 . . . . . . A 242 GLY H . 30634 1 703 . 1 1 75 75 GLY HA2 H 1 4.378 0.01 . . . . . . A 242 GLY HA2 . 30634 1 704 . 1 1 75 75 GLY CA C 13 45.001 0.02 . . . . . . A 242 GLY CA . 30634 1 705 . 1 1 75 75 GLY N N 15 109.750 0.03 . . . . . . A 242 GLY N . 30634 1 706 . 1 1 76 76 PRO HA H 1 4.319 0.00 . . . . . . A 243 PRO HA . 30634 1 707 . 1 1 76 76 PRO HB2 H 1 1.962 0.01 . . . . . . A 243 PRO HB2 . 30634 1 708 . 1 1 76 76 PRO HB3 H 1 2.360 0.00 . . . . . . A 243 PRO HB3 . 30634 1 709 . 1 1 76 76 PRO HG2 H 1 1.946 0.00 . . . . . . A 243 PRO HG2 . 30634 1 710 . 1 1 76 76 PRO HG3 H 1 2.042 0.01 . . . . . . A 243 PRO HG3 . 30634 1 711 . 1 1 76 76 PRO C C 13 177.423 0.00 . . . . . . A 243 PRO C . 30634 1 712 . 1 1 76 76 PRO CA C 13 64.895 0.03 . . . . . . A 243 PRO CA . 30634 1 713 . 1 1 76 76 PRO CB C 13 32.033 0.07 . . . . . . A 243 PRO CB . 30634 1 714 . 1 1 76 76 PRO CG C 13 27.201 0.05 . . . . . . A 243 PRO CG . 30634 1 715 . 1 1 76 76 PRO CD C 13 51.081 0.00 . . . . . . A 243 PRO CD . 30634 1 716 . 1 1 77 77 ALA H H 1 8.600 0.01 . . . . . . A 244 ALA H . 30634 1 717 . 1 1 77 77 ALA HA H 1 4.611 0.00 . . . . . . A 244 ALA HA . 30634 1 718 . 1 1 77 77 ALA HB1 H 1 1.341 0.00 . . . . . . A 244 ALA HB1 . 30634 1 719 . 1 1 77 77 ALA HB2 H 1 1.341 0.00 . . . . . . A 244 ALA HB2 . 30634 1 720 . 1 1 77 77 ALA HB3 H 1 1.341 0.00 . . . . . . A 244 ALA HB3 . 30634 1 721 . 1 1 77 77 ALA C C 13 176.681 0.00 . . . . . . A 244 ALA C . 30634 1 722 . 1 1 77 77 ALA CA C 13 51.247 0.03 . . . . . . A 244 ALA CA . 30634 1 723 . 1 1 77 77 ALA CB C 13 18.980 0.03 . . . . . . A 244 ALA CB . 30634 1 724 . 1 1 77 77 ALA N N 15 120.010 0.02 . . . . . . A 244 ALA N . 30634 1 725 . 1 1 78 78 GLY H H 1 7.532 0.00 . . . . . . A 245 GLY H . 30634 1 726 . 1 1 78 78 GLY HA2 H 1 4.439 0.01 . . . . . . A 245 GLY HA2 . 30634 1 727 . 1 1 78 78 GLY HA3 H 1 3.787 0.01 . . . . . . A 245 GLY HA3 . 30634 1 728 . 1 1 78 78 GLY C C 13 173.274 0.00 . . . . . . A 245 GLY C . 30634 1 729 . 1 1 78 78 GLY CA C 13 44.006 0.21 . . . . . . A 245 GLY CA . 30634 1 730 . 1 1 78 78 GLY N N 15 108.004 0.03 . . . . . . A 245 GLY N . 30634 1 731 . 1 1 79 79 ARG H H 1 8.515 0.00 . . . . . . A 246 ARG H . 30634 1 732 . 1 1 79 79 ARG HG2 H 1 1.613 0.02 . . . . . . A 246 ARG HG2 . 30634 1 733 . 1 1 79 79 ARG HD3 H 1 3.182 0.01 . . . . . . A 246 ARG HD3 . 30634 1 734 . 1 1 79 79 ARG C C 13 178.414 0.00 . . . . . . A 246 ARG C . 30634 1 735 . 1 1 79 79 ARG CA C 13 56.054 0.00 . . . . . . A 246 ARG CA . 30634 1 736 . 1 1 79 79 ARG CG C 13 27.201 0.05 . . . . . . A 246 ARG CG . 30634 1 737 . 1 1 79 79 ARG CD C 13 43.380 0.00 . . . . . . A 246 ARG CD . 30634 1 738 . 1 1 79 79 ARG N N 15 120.183 0.05 . . . . . . A 246 ARG N . 30634 1 739 . 1 1 80 80 GLY H H 1 8.132 0.01 . . . . . . A 247 GLY H . 30634 1 740 . 1 1 80 80 GLY HA2 H 1 4.305 0.01 . . . . . . A 247 GLY HA2 . 30634 1 741 . 1 1 80 80 GLY HA3 H 1 3.805 0.01 . . . . . . A 247 GLY HA3 . 30634 1 742 . 1 1 80 80 GLY C C 13 172.579 0.00 . . . . . . A 247 GLY C . 30634 1 743 . 1 1 80 80 GLY CA C 13 43.747 0.00 . . . . . . A 247 GLY CA . 30634 1 744 . 1 1 80 80 GLY N N 15 107.837 0.04 . . . . . . A 247 GLY N . 30634 1 745 . 1 1 81 81 ASP H H 1 9.211 0.00 . . . . . . A 248 ASP H . 30634 1 746 . 1 1 81 81 ASP HA H 1 4.923 0.00 . . . . . . A 248 ASP HA . 30634 1 747 . 1 1 81 81 ASP HB2 H 1 1.818 0.01 . . . . . . A 248 ASP HB2 . 30634 1 748 . 1 1 81 81 ASP HB3 H 1 2.286 0.01 . . . . . . A 248 ASP HB3 . 30634 1 749 . 1 1 81 81 ASP C C 13 173.063 0.00 . . . . . . A 248 ASP C . 30634 1 750 . 1 1 81 81 ASP CA C 13 53.820 0.06 . . . . . . A 248 ASP CA . 30634 1 751 . 1 1 81 81 ASP CB C 13 44.015 0.07 . . . . . . A 248 ASP CB . 30634 1 752 . 1 1 81 81 ASP N N 15 119.336 0.03 . . . . . . A 248 ASP N . 30634 1 753 . 1 1 82 82 LEU H H 1 7.662 0.00 . . . . . . A 249 LEU H . 30634 1 754 . 1 1 82 82 LEU HA H 1 4.909 0.01 . . . . . . A 249 LEU HA . 30634 1 755 . 1 1 82 82 LEU HB2 H 1 1.666 0.01 . . . . . . A 249 LEU HB2 . 30634 1 756 . 1 1 82 82 LEU HB3 H 1 1.013 0.01 . . . . . . A 249 LEU HB3 . 30634 1 757 . 1 1 82 82 LEU HG H 1 1.218 0.01 . . . . . . A 249 LEU HG . 30634 1 758 . 1 1 82 82 LEU HD11 H 1 0.845 0.01 . . . . . . A 249 LEU HD11 . 30634 1 759 . 1 1 82 82 LEU HD12 H 1 0.845 0.01 . . . . . . A 249 LEU HD12 . 30634 1 760 . 1 1 82 82 LEU HD13 H 1 0.845 0.01 . . . . . . A 249 LEU HD13 . 30634 1 761 . 1 1 82 82 LEU HD21 H 1 0.745 0.01 . . . . . . A 249 LEU HD21 . 30634 1 762 . 1 1 82 82 LEU HD22 H 1 0.745 0.01 . . . . . . A 249 LEU HD22 . 30634 1 763 . 1 1 82 82 LEU HD23 H 1 0.745 0.01 . . . . . . A 249 LEU HD23 . 30634 1 764 . 1 1 82 82 LEU C C 13 173.673 0.00 . . . . . . A 249 LEU C . 30634 1 765 . 1 1 82 82 LEU CA C 13 52.867 0.05 . . . . . . A 249 LEU CA . 30634 1 766 . 1 1 82 82 LEU CB C 13 45.797 0.03 . . . . . . A 249 LEU CB . 30634 1 767 . 1 1 82 82 LEU CG C 13 27.808 0.12 . . . . . . A 249 LEU CG . 30634 1 768 . 1 1 82 82 LEU CD1 C 13 26.434 0.06 . . . . . . A 249 LEU CD1 . 30634 1 769 . 1 1 82 82 LEU CD2 C 13 23.420 0.04 . . . . . . A 249 LEU CD2 . 30634 1 770 . 1 1 82 82 LEU N N 15 121.287 0.03 . . . . . . A 249 LEU N . 30634 1 771 . 1 1 83 83 TYR H H 1 9.222 0.00 . . . . . . A 250 TYR H . 30634 1 772 . 1 1 83 83 TYR HA H 1 4.959 0.01 . . . . . . A 250 TYR HA . 30634 1 773 . 1 1 83 83 TYR HB2 H 1 2.434 0.02 . . . . . . A 250 TYR HB2 . 30634 1 774 . 1 1 83 83 TYR HD2 H 1 6.591 0.00 . . . . . . A 250 TYR HD2 . 30634 1 775 . 1 1 83 83 TYR HE1 H 1 6.719 0.01 . . . . . . A 250 TYR HE1 . 30634 1 776 . 1 1 83 83 TYR C C 13 174.706 0.00 . . . . . . A 250 TYR C . 30634 1 777 . 1 1 83 83 TYR CA C 13 57.085 0.05 . . . . . . A 250 TYR CA . 30634 1 778 . 1 1 83 83 TYR CB C 13 41.010 0.06 . . . . . . A 250 TYR CB . 30634 1 779 . 1 1 83 83 TYR CD2 C 13 132.856 0.00 . . . . . . A 250 TYR CD2 . 30634 1 780 . 1 1 83 83 TYR CE1 C 13 117.531 0.00 . . . . . . A 250 TYR CE1 . 30634 1 781 . 1 1 83 83 TYR N N 15 125.785 0.04 . . . . . . A 250 TYR N . 30634 1 782 . 1 1 84 84 LEU H H 1 9.039 0.00 . . . . . . A 251 LEU H . 30634 1 783 . 1 1 84 84 LEU HA H 1 5.053 0.01 . . . . . . A 251 LEU HA . 30634 1 784 . 1 1 84 84 LEU HB2 H 1 1.715 0.01 . . . . . . A 251 LEU HB2 . 30634 1 785 . 1 1 84 84 LEU HB3 H 1 1.188 0.01 . . . . . . A 251 LEU HB3 . 30634 1 786 . 1 1 84 84 LEU HD11 H 1 0.758 0.01 . . . . . . A 251 LEU HD11 . 30634 1 787 . 1 1 84 84 LEU HD12 H 1 0.758 0.01 . . . . . . A 251 LEU HD12 . 30634 1 788 . 1 1 84 84 LEU HD13 H 1 0.758 0.01 . . . . . . A 251 LEU HD13 . 30634 1 789 . 1 1 84 84 LEU HD21 H 1 0.756 0.01 . . . . . . A 251 LEU HD21 . 30634 1 790 . 1 1 84 84 LEU HD22 H 1 0.756 0.01 . . . . . . A 251 LEU HD22 . 30634 1 791 . 1 1 84 84 LEU HD23 H 1 0.756 0.01 . . . . . . A 251 LEU HD23 . 30634 1 792 . 1 1 84 84 LEU C C 13 175.465 0.00 . . . . . . A 251 LEU C . 30634 1 793 . 1 1 84 84 LEU CA C 13 51.936 0.06 . . . . . . A 251 LEU CA . 30634 1 794 . 1 1 84 84 LEU CB C 13 43.881 0.04 . . . . . . A 251 LEU CB . 30634 1 795 . 1 1 84 84 LEU CG C 13 27.344 0.04 . . . . . . A 251 LEU CG . 30634 1 796 . 1 1 84 84 LEU CD1 C 13 24.376 0.05 . . . . . . A 251 LEU CD1 . 30634 1 797 . 1 1 84 84 LEU CD2 C 13 27.400 0.03 . . . . . . A 251 LEU CD2 . 30634 1 798 . 1 1 84 84 LEU N N 15 122.516 0.02 . . . . . . A 251 LEU N . 30634 1 799 . 1 1 85 85 GLU H H 1 9.013 0.01 . . . . . . A 252 GLU H . 30634 1 800 . 1 1 85 85 GLU HA H 1 4.796 0.01 . . . . . . A 252 GLU HA . 30634 1 801 . 1 1 85 85 GLU HB2 H 1 2.004 0.01 . . . . . . A 252 GLU HB2 . 30634 1 802 . 1 1 85 85 GLU HB3 H 1 1.972 0.01 . . . . . . A 252 GLU HB3 . 30634 1 803 . 1 1 85 85 GLU HG3 H 1 2.068 0.01 . . . . . . A 252 GLU HG3 . 30634 1 804 . 1 1 85 85 GLU C C 13 176.033 0.00 . . . . . . A 252 GLU C . 30634 1 805 . 1 1 85 85 GLU CA C 13 55.086 0.08 . . . . . . A 252 GLU CA . 30634 1 806 . 1 1 85 85 GLU CB C 13 31.318 0.06 . . . . . . A 252 GLU CB . 30634 1 807 . 1 1 85 85 GLU CG C 13 37.047 0.08 . . . . . . A 252 GLU CG . 30634 1 808 . 1 1 85 85 GLU N N 15 124.568 0.05 . . . . . . A 252 GLU N . 30634 1 809 . 1 1 86 86 VAL H H 1 8.988 0.00 . . . . . . A 253 VAL H . 30634 1 810 . 1 1 86 86 VAL HA H 1 4.274 0.01 . . . . . . A 253 VAL HA . 30634 1 811 . 1 1 86 86 VAL HB H 1 2.132 0.01 . . . . . . A 253 VAL HB . 30634 1 812 . 1 1 86 86 VAL HG11 H 1 0.702 0.01 . . . . . . A 253 VAL HG11 . 30634 1 813 . 1 1 86 86 VAL HG12 H 1 0.702 0.01 . . . . . . A 253 VAL HG12 . 30634 1 814 . 1 1 86 86 VAL HG13 H 1 0.702 0.01 . . . . . . A 253 VAL HG13 . 30634 1 815 . 1 1 86 86 VAL HG21 H 1 0.985 0.01 . . . . . . A 253 VAL HG21 . 30634 1 816 . 1 1 86 86 VAL HG22 H 1 0.985 0.01 . . . . . . A 253 VAL HG22 . 30634 1 817 . 1 1 86 86 VAL HG23 H 1 0.985 0.01 . . . . . . A 253 VAL HG23 . 30634 1 818 . 1 1 86 86 VAL C C 13 176.187 0.00 . . . . . . A 253 VAL C . 30634 1 819 . 1 1 86 86 VAL CA C 13 64.750 0.03 . . . . . . A 253 VAL CA . 30634 1 820 . 1 1 86 86 VAL CB C 13 32.390 0.06 . . . . . . A 253 VAL CB . 30634 1 821 . 1 1 86 86 VAL CG1 C 13 21.306 0.07 . . . . . . A 253 VAL CG1 . 30634 1 822 . 1 1 86 86 VAL CG2 C 13 22.364 0.03 . . . . . . A 253 VAL CG2 . 30634 1 823 . 1 1 86 86 VAL N N 15 128.229 0.04 . . . . . . A 253 VAL N . 30634 1 824 . 1 1 87 87 ARG H H 1 9.374 0.00 . . . . . . A 254 ARG H . 30634 1 825 . 1 1 87 87 ARG HA H 1 4.560 0.01 . . . . . . A 254 ARG HA . 30634 1 826 . 1 1 87 87 ARG HB2 H 1 1.730 0.01 . . . . . . A 254 ARG HB2 . 30634 1 827 . 1 1 87 87 ARG HB3 H 1 1.928 0.00 . . . . . . A 254 ARG HB3 . 30634 1 828 . 1 1 87 87 ARG HG2 H 1 1.416 0.01 . . . . . . A 254 ARG HG2 . 30634 1 829 . 1 1 87 87 ARG HG3 H 1 1.578 0.01 . . . . . . A 254 ARG HG3 . 30634 1 830 . 1 1 87 87 ARG HD2 H 1 3.175 0.01 . . . . . . A 254 ARG HD2 . 30634 1 831 . 1 1 87 87 ARG C C 13 173.898 0.00 . . . . . . A 254 ARG C . 30634 1 832 . 1 1 87 87 ARG CA C 13 55.105 0.04 . . . . . . A 254 ARG CA . 30634 1 833 . 1 1 87 87 ARG CB C 13 32.466 0.06 . . . . . . A 254 ARG CB . 30634 1 834 . 1 1 87 87 ARG CG C 13 27.098 0.07 . . . . . . A 254 ARG CG . 30634 1 835 . 1 1 87 87 ARG CD C 13 43.648 0.05 . . . . . . A 254 ARG CD . 30634 1 836 . 1 1 87 87 ARG N N 15 133.632 0.03 . . . . . . A 254 ARG N . 30634 1 837 . 1 1 88 88 ILE H H 1 8.383 0.00 . . . . . . A 255 ILE H . 30634 1 838 . 1 1 88 88 ILE HA H 1 5.032 0.01 . . . . . . A 255 ILE HA . 30634 1 839 . 1 1 88 88 ILE HB H 1 1.916 0.00 . . . . . . A 255 ILE HB . 30634 1 840 . 1 1 88 88 ILE HG12 H 1 1.150 0.01 . . . . . . A 255 ILE HG12 . 30634 1 841 . 1 1 88 88 ILE HG13 H 1 1.492 0.01 . . . . . . A 255 ILE HG13 . 30634 1 842 . 1 1 88 88 ILE HG21 H 1 0.997 0.00 . . . . . . A 255 ILE HG21 . 30634 1 843 . 1 1 88 88 ILE HG22 H 1 0.997 0.00 . . . . . . A 255 ILE HG22 . 30634 1 844 . 1 1 88 88 ILE HG23 H 1 0.997 0.00 . . . . . . A 255 ILE HG23 . 30634 1 845 . 1 1 88 88 ILE HD11 H 1 0.640 0.01 . . . . . . A 255 ILE HD11 . 30634 1 846 . 1 1 88 88 ILE HD12 H 1 0.640 0.01 . . . . . . A 255 ILE HD12 . 30634 1 847 . 1 1 88 88 ILE HD13 H 1 0.640 0.01 . . . . . . A 255 ILE HD13 . 30634 1 848 . 1 1 88 88 ILE C C 13 176.916 0.00 . . . . . . A 255 ILE C . 30634 1 849 . 1 1 88 88 ILE CA C 13 59.204 0.03 . . . . . . A 255 ILE CA . 30634 1 850 . 1 1 88 88 ILE CB C 13 36.772 0.04 . . . . . . A 255 ILE CB . 30634 1 851 . 1 1 88 88 ILE CG1 C 13 27.521 0.04 . . . . . . A 255 ILE CG1 . 30634 1 852 . 1 1 88 88 ILE CG2 C 13 17.334 0.05 . . . . . . A 255 ILE CG2 . 30634 1 853 . 1 1 88 88 ILE CD1 C 13 11.161 0.01 . . . . . . A 255 ILE CD1 . 30634 1 854 . 1 1 88 88 ILE N N 15 126.043 0.02 . . . . . . A 255 ILE N . 30634 1 855 . 1 1 89 89 THR H H 1 8.421 0.00 . . . . . . A 256 THR H . 30634 1 856 . 1 1 89 89 THR HA H 1 4.312 0.01 . . . . . . A 256 THR HA . 30634 1 857 . 1 1 89 89 THR HB H 1 4.324 0.00 . . . . . . A 256 THR HB . 30634 1 858 . 1 1 89 89 THR HG21 H 1 0.961 0.01 . . . . . . A 256 THR HG21 . 30634 1 859 . 1 1 89 89 THR HG22 H 1 0.961 0.01 . . . . . . A 256 THR HG22 . 30634 1 860 . 1 1 89 89 THR HG23 H 1 0.961 0.01 . . . . . . A 256 THR HG23 . 30634 1 861 . 1 1 89 89 THR CA C 13 62.173 0.04 . . . . . . A 256 THR CA . 30634 1 862 . 1 1 89 89 THR CB C 13 70.313 0.06 . . . . . . A 256 THR CB . 30634 1 863 . 1 1 89 89 THR CG2 C 13 22.254 0.05 . . . . . . A 256 THR CG2 . 30634 1 864 . 1 1 89 89 THR N N 15 126.988 0.04 . . . . . . A 256 THR N . 30634 1 stop_ save_