data_30632 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30632 _Entry.Title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-09 _Entry.Accession_date 2019-07-09 _Entry.Last_release_date 2019-09-06 _Entry.Original_release_date 2019-09-06 _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' 30632 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. . . . 30632 2 P. Rossi P. . . . 30632 3 C. Kalodimos C. G. . . 30632 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 30632 'Client Recognition' . 30632 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30632 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 354 30632 '15N chemical shifts' 79 30632 '1H chemical shifts' 516 30632 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 . 30632 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6PQM . 30632 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30632 _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. . . . 30632 1 2 P. Rossi P. . . . 30632 1 3 C. Kalodimos C. G. . . 30632 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30632 _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 . . . . . . 30632 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30632 _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 ; MKDGAVMVMSYGNSEEDGSG GSGGSGGSQDLYATLDVPAP IAVVGGKVRAMTLEGPVEVA VPPRTQAGRKLRLKGKGFPG PAGRGDLYLEVRIT ; _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 94 _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 9571.893 _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 30632 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 1 163 MET . 30632 1 2 164 LYS . 30632 1 3 165 ASP . 30632 1 4 166 GLY . 30632 1 5 167 ALA . 30632 1 6 168 VAL . 30632 1 7 169 MET . 30632 1 8 170 VAL . 30632 1 9 171 MET . 30632 1 10 172 SER . 30632 1 11 173 TYR . 30632 1 12 174 GLY . 30632 1 13 175 ASN . 30632 1 14 176 SER . 30632 1 15 177 GLU . 30632 1 16 178 GLU . 30632 1 17 179 ASP . 30632 1 18 180 GLY . 30632 1 19 181 SER . 30632 1 20 182 GLY . 30632 1 21 183 GLY . 30632 1 22 184 SER . 30632 1 23 185 GLY . 30632 1 24 186 GLY . 30632 1 25 187 SER . 30632 1 26 188 GLY . 30632 1 27 189 GLY . 30632 1 28 190 SER . 30632 1 29 191 GLN . 30632 1 30 192 ASP . 30632 1 31 193 LEU . 30632 1 32 194 TYR . 30632 1 33 195 ALA . 30632 1 34 196 THR . 30632 1 35 197 LEU . 30632 1 36 198 ASP . 30632 1 37 199 VAL . 30632 1 38 200 PRO . 30632 1 39 201 ALA . 30632 1 40 202 PRO . 30632 1 41 203 ILE . 30632 1 42 204 ALA . 30632 1 43 205 VAL . 30632 1 44 206 VAL . 30632 1 45 207 GLY . 30632 1 46 208 GLY . 30632 1 47 209 LYS . 30632 1 48 210 VAL . 30632 1 49 211 ARG . 30632 1 50 212 ALA . 30632 1 51 213 MET . 30632 1 52 214 THR . 30632 1 53 215 LEU . 30632 1 54 216 GLU . 30632 1 55 217 GLY . 30632 1 56 218 PRO . 30632 1 57 219 VAL . 30632 1 58 220 GLU . 30632 1 59 221 VAL . 30632 1 60 222 ALA . 30632 1 61 223 VAL . 30632 1 62 224 PRO . 30632 1 63 225 PRO . 30632 1 64 226 ARG . 30632 1 65 227 THR . 30632 1 66 228 GLN . 30632 1 67 229 ALA . 30632 1 68 230 GLY . 30632 1 69 231 ARG . 30632 1 70 232 LYS . 30632 1 71 233 LEU . 30632 1 72 234 ARG . 30632 1 73 235 LEU . 30632 1 74 236 LYS . 30632 1 75 237 GLY . 30632 1 76 238 LYS . 30632 1 77 239 GLY . 30632 1 78 240 PHE . 30632 1 79 241 PRO . 30632 1 80 242 GLY . 30632 1 81 243 PRO . 30632 1 82 244 ALA . 30632 1 83 245 GLY . 30632 1 84 246 ARG . 30632 1 85 247 GLY . 30632 1 86 248 ASP . 30632 1 87 249 LEU . 30632 1 88 250 TYR . 30632 1 89 251 LEU . 30632 1 90 252 GLU . 30632 1 91 253 VAL . 30632 1 92 254 ARG . 30632 1 93 255 ILE . 30632 1 94 256 THR . 30632 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 30632 1 . LYS 2 2 30632 1 . ASP 3 3 30632 1 . GLY 4 4 30632 1 . ALA 5 5 30632 1 . VAL 6 6 30632 1 . MET 7 7 30632 1 . VAL 8 8 30632 1 . MET 9 9 30632 1 . SER 10 10 30632 1 . TYR 11 11 30632 1 . GLY 12 12 30632 1 . ASN 13 13 30632 1 . SER 14 14 30632 1 . GLU 15 15 30632 1 . GLU 16 16 30632 1 . ASP 17 17 30632 1 . GLY 18 18 30632 1 . SER 19 19 30632 1 . GLY 20 20 30632 1 . GLY 21 21 30632 1 . SER 22 22 30632 1 . GLY 23 23 30632 1 . GLY 24 24 30632 1 . SER 25 25 30632 1 . GLY 26 26 30632 1 . GLY 27 27 30632 1 . SER 28 28 30632 1 . GLN 29 29 30632 1 . ASP 30 30 30632 1 . LEU 31 31 30632 1 . TYR 32 32 30632 1 . ALA 33 33 30632 1 . THR 34 34 30632 1 . LEU 35 35 30632 1 . ASP 36 36 30632 1 . VAL 37 37 30632 1 . PRO 38 38 30632 1 . ALA 39 39 30632 1 . PRO 40 40 30632 1 . ILE 41 41 30632 1 . ALA 42 42 30632 1 . VAL 43 43 30632 1 . VAL 44 44 30632 1 . GLY 45 45 30632 1 . GLY 46 46 30632 1 . LYS 47 47 30632 1 . VAL 48 48 30632 1 . ARG 49 49 30632 1 . ALA 50 50 30632 1 . MET 51 51 30632 1 . THR 52 52 30632 1 . LEU 53 53 30632 1 . GLU 54 54 30632 1 . GLY 55 55 30632 1 . PRO 56 56 30632 1 . VAL 57 57 30632 1 . GLU 58 58 30632 1 . VAL 59 59 30632 1 . ALA 60 60 30632 1 . VAL 61 61 30632 1 . PRO 62 62 30632 1 . PRO 63 63 30632 1 . ARG 64 64 30632 1 . THR 65 65 30632 1 . GLN 66 66 30632 1 . ALA 67 67 30632 1 . GLY 68 68 30632 1 . ARG 69 69 30632 1 . LYS 70 70 30632 1 . LEU 71 71 30632 1 . ARG 72 72 30632 1 . LEU 73 73 30632 1 . LYS 74 74 30632 1 . GLY 75 75 30632 1 . LYS 76 76 30632 1 . GLY 77 77 30632 1 . PHE 78 78 30632 1 . PRO 79 79 30632 1 . GLY 80 80 30632 1 . PRO 81 81 30632 1 . ALA 82 82 30632 1 . GLY 83 83 30632 1 . ARG 84 84 30632 1 . GLY 85 85 30632 1 . ASP 86 86 30632 1 . LEU 87 87 30632 1 . TYR 88 88 30632 1 . LEU 89 89 30632 1 . GLU 90 90 30632 1 . VAL 91 91 30632 1 . ARG 92 92 30632 1 . ILE 93 93 30632 1 . THR 94 94 30632 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 30632 _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' . 30632 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' . 30632 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 30632 _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) . . . . . . . . . 30632 1 2 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30632 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30632 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-100% 13C; U-100% 15N] PhoA-Hsp40/DnaJ CBD2 fusion, 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 'PhoA-Hsp40/DnaJ CBD2 fusion' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30632 1 2 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30632 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30632 1 4 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 30632 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 30632 _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 30632 1 pH 7 . pH 30632 1 pressure 1 . atm 30632 1 temperature 298 . K 30632 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30632 _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' . . 30632 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30632 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30632 _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' . . 30632 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30632 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30632 _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' . . 30632 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30632 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30632 _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 . . 30632 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30632 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30632 _Software.ID 5 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30632 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30632 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30632 _Software.ID 6 _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' . . 30632 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30632 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30632 _Software.ID 7 _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' . . 30632 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 30632 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 30632 _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 30632 _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 . . . 30632 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 30632 _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 . . . . . . . . . . . . . . . . 30632 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30632 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30632 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30632 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30632 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30632 1 7 '3D CCH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30632 1 8 '3D CCH NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30632 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30632 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30632 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 30632 _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 . . . . . 30632 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30632 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30632 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 30632 _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' . . . 30632 1 2 '2D 1H-13C HSQC' . . . 30632 1 3 '3D HNCACB' . . . 30632 1 4 '3D HNCO' . . . 30632 1 5 '3D HBHA(CO)NH' . . . 30632 1 6 '3D C(CO)NH' . . . 30632 1 7 '3D CCH TOCSY' . . . 30632 1 8 '3D CCH NOESY' . . . 30632 1 9 '3D 1H-13C NOESY' . . . 30632 1 10 '3D 1H-15N NOESY' . . . 30632 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 4.444 0.00 . . . . . . A 163 MET HA . 30632 1 2 . 1 1 1 1 MET C C 13 173.384 0.00 . . . . . . A 163 MET C . 30632 1 3 . 1 1 1 1 MET CA C 13 55.514 0.01 . . . . . . A 163 MET CA . 30632 1 4 . 1 1 1 1 MET CB C 13 32.971 0.02 . . . . . . A 163 MET CB . 30632 1 5 . 1 1 1 1 MET CG C 13 31.872 0.00 . . . . . . A 163 MET CG . 30632 1 6 . 1 1 2 2 LYS H H 1 8.576 0.00 . . . . . . A 164 LYS H . 30632 1 7 . 1 1 2 2 LYS HA H 1 4.272 0.00 . . . . . . A 164 LYS HA . 30632 1 8 . 1 1 2 2 LYS HB2 H 1 1.812 0.01 . . . . . . A 164 LYS HB2 . 30632 1 9 . 1 1 2 2 LYS HB3 H 1 1.741 0.00 . . . . . . A 164 LYS HB3 . 30632 1 10 . 1 1 2 2 LYS HG2 H 1 1.371 0.00 . . . . . . A 164 LYS HG2 . 30632 1 11 . 1 1 2 2 LYS HG3 H 1 1.403 0.00 . . . . . . A 164 LYS HG3 . 30632 1 12 . 1 1 2 2 LYS HD3 H 1 1.648 0.00 . . . . . . A 164 LYS HD3 . 30632 1 13 . 1 1 2 2 LYS HE2 H 1 2.851 0.00 . . . . . . A 164 LYS HE2 . 30632 1 14 . 1 1 2 2 LYS HE3 H 1 2.967 0.00 . . . . . . A 164 LYS HE3 . 30632 1 15 . 1 1 2 2 LYS C C 13 173.507 0.00 . . . . . . A 164 LYS C . 30632 1 16 . 1 1 2 2 LYS CA C 13 56.534 0.03 . . . . . . A 164 LYS CA . 30632 1 17 . 1 1 2 2 LYS CB C 13 32.992 0.03 . . . . . . A 164 LYS CB . 30632 1 18 . 1 1 2 2 LYS CG C 13 24.673 0.05 . . . . . . A 164 LYS CG . 30632 1 19 . 1 1 2 2 LYS CD C 13 29.107 0.06 . . . . . . A 164 LYS CD . 30632 1 20 . 1 1 2 2 LYS CE C 13 42.105 0.03 . . . . . . A 164 LYS CE . 30632 1 21 . 1 1 2 2 LYS N N 15 123.014 0.02 . . . . . . A 164 LYS N . 30632 1 22 . 1 1 3 3 ASP H H 1 8.386 0.00 . . . . . . A 165 ASP H . 30632 1 23 . 1 1 3 3 ASP HA H 1 4.531 0.00 . . . . . . A 165 ASP HA . 30632 1 24 . 1 1 3 3 ASP HB3 H 1 2.652 0.01 . . . . . . A 165 ASP HB3 . 30632 1 25 . 1 1 3 3 ASP C C 13 173.914 0.00 . . . . . . A 165 ASP C . 30632 1 26 . 1 1 3 3 ASP CA C 13 54.723 0.04 . . . . . . A 165 ASP CA . 30632 1 27 . 1 1 3 3 ASP CB C 13 41.109 0.05 . . . . . . A 165 ASP CB . 30632 1 28 . 1 1 3 3 ASP N N 15 121.736 0.04 . . . . . . A 165 ASP N . 30632 1 29 . 1 1 4 4 GLY H H 1 8.370 0.00 . . . . . . A 166 GLY H . 30632 1 30 . 1 1 4 4 GLY HA3 H 1 3.906 0.00 . . . . . . A 166 GLY HA3 . 30632 1 31 . 1 1 4 4 GLY C C 13 171.098 0.00 . . . . . . A 166 GLY C . 30632 1 32 . 1 1 4 4 GLY CA C 13 45.521 0.07 . . . . . . A 166 GLY CA . 30632 1 33 . 1 1 4 4 GLY N N 15 109.269 0.01 . . . . . . A 166 GLY N . 30632 1 34 . 1 1 5 5 ALA H H 1 8.078 0.00 . . . . . . A 167 ALA H . 30632 1 35 . 1 1 5 5 ALA HA H 1 4.349 0.00 . . . . . . A 167 ALA HA . 30632 1 36 . 1 1 5 5 ALA HB1 H 1 1.357 0.00 . . . . . . A 167 ALA HB1 . 30632 1 37 . 1 1 5 5 ALA HB2 H 1 1.357 0.00 . . . . . . A 167 ALA HB2 . 30632 1 38 . 1 1 5 5 ALA HB3 H 1 1.357 0.00 . . . . . . A 167 ALA HB3 . 30632 1 39 . 1 1 5 5 ALA C C 13 174.739 0.00 . . . . . . A 167 ALA C . 30632 1 40 . 1 1 5 5 ALA CA C 13 52.379 0.04 . . . . . . A 167 ALA CA . 30632 1 41 . 1 1 5 5 ALA CB C 13 19.585 0.03 . . . . . . A 167 ALA CB . 30632 1 42 . 1 1 5 5 ALA N N 15 123.586 0.02 . . . . . . A 167 ALA N . 30632 1 43 . 1 1 6 6 VAL H H 1 8.096 0.00 . . . . . . A 168 VAL H . 30632 1 44 . 1 1 6 6 VAL HA H 1 4.091 0.01 . . . . . . A 168 VAL HA . 30632 1 45 . 1 1 6 6 VAL HB H 1 2.013 0.00 . . . . . . A 168 VAL HB . 30632 1 46 . 1 1 6 6 VAL HG11 H 1 0.887 0.00 . . . . . . A 168 VAL HG11 . 30632 1 47 . 1 1 6 6 VAL HG12 H 1 0.887 0.00 . . . . . . A 168 VAL HG12 . 30632 1 48 . 1 1 6 6 VAL HG13 H 1 0.887 0.00 . . . . . . A 168 VAL HG13 . 30632 1 49 . 1 1 6 6 VAL HG21 H 1 0.919 0.00 . . . . . . A 168 VAL HG21 . 30632 1 50 . 1 1 6 6 VAL HG22 H 1 0.919 0.00 . . . . . . A 168 VAL HG22 . 30632 1 51 . 1 1 6 6 VAL HG23 H 1 0.919 0.00 . . . . . . A 168 VAL HG23 . 30632 1 52 . 1 1 6 6 VAL C C 13 173.163 0.00 . . . . . . A 168 VAL C . 30632 1 53 . 1 1 6 6 VAL CA C 13 62.164 0.02 . . . . . . A 168 VAL CA . 30632 1 54 . 1 1 6 6 VAL CB C 13 32.848 0.10 . . . . . . A 168 VAL CB . 30632 1 55 . 1 1 6 6 VAL CG1 C 13 21.263 0.02 . . . . . . A 168 VAL CG1 . 30632 1 56 . 1 1 6 6 VAL CG2 C 13 20.763 0.06 . . . . . . A 168 VAL CG2 . 30632 1 57 . 1 1 6 6 VAL N N 15 119.374 0.02 . . . . . . A 168 VAL N . 30632 1 58 . 1 1 7 7 MET H H 1 8.447 0.00 . . . . . . A 169 MET H . 30632 1 59 . 1 1 7 7 MET HA H 1 4.516 0.00 . . . . . . A 169 MET HA . 30632 1 60 . 1 1 7 7 MET HB3 H 1 1.961 0.01 . . . . . . A 169 MET HB3 . 30632 1 61 . 1 1 7 7 MET HG3 H 1 2.501 0.00 . . . . . . A 169 MET HG3 . 30632 1 62 . 1 1 7 7 MET HE1 H 1 2.000 0.00 . . . . . . A 169 MET HE1 . 30632 1 63 . 1 1 7 7 MET HE2 H 1 2.000 0.00 . . . . . . A 169 MET HE2 . 30632 1 64 . 1 1 7 7 MET HE3 H 1 2.000 0.00 . . . . . . A 169 MET HE3 . 30632 1 65 . 1 1 7 7 MET C C 13 172.955 0.00 . . . . . . A 169 MET C . 30632 1 66 . 1 1 7 7 MET CA C 13 55.335 0.07 . . . . . . A 169 MET CA . 30632 1 67 . 1 1 7 7 MET CB C 13 32.903 0.45 . . . . . . A 169 MET CB . 30632 1 68 . 1 1 7 7 MET CG C 13 31.940 0.03 . . . . . . A 169 MET CG . 30632 1 69 . 1 1 7 7 MET CE C 13 17.039 0.00 . . . . . . A 169 MET CE . 30632 1 70 . 1 1 7 7 MET N N 15 124.957 0.03 . . . . . . A 169 MET N . 30632 1 71 . 1 1 8 8 VAL H H 1 8.249 0.00 . . . . . . A 170 VAL H . 30632 1 72 . 1 1 8 8 VAL HA H 1 4.104 0.00 . . . . . . A 170 VAL HA . 30632 1 73 . 1 1 8 8 VAL HB H 1 2.015 0.00 . . . . . . A 170 VAL HB . 30632 1 74 . 1 1 8 8 VAL HG11 H 1 0.884 0.00 . . . . . . A 170 VAL HG11 . 30632 1 75 . 1 1 8 8 VAL HG12 H 1 0.884 0.00 . . . . . . A 170 VAL HG12 . 30632 1 76 . 1 1 8 8 VAL HG13 H 1 0.884 0.00 . . . . . . A 170 VAL HG13 . 30632 1 77 . 1 1 8 8 VAL HG21 H 1 0.880 0.00 . . . . . . A 170 VAL HG21 . 30632 1 78 . 1 1 8 8 VAL HG22 H 1 0.880 0.00 . . . . . . A 170 VAL HG22 . 30632 1 79 . 1 1 8 8 VAL HG23 H 1 0.880 0.00 . . . . . . A 170 VAL HG23 . 30632 1 80 . 1 1 8 8 VAL CA C 13 62.144 0.00 . . . . . . A 170 VAL CA . 30632 1 81 . 1 1 8 8 VAL CB C 13 33.025 0.00 . . . . . . A 170 VAL CB . 30632 1 82 . 1 1 8 8 VAL CG1 C 13 20.686 0.00 . . . . . . A 170 VAL CG1 . 30632 1 83 . 1 1 8 8 VAL CG2 C 13 21.269 0.00 . . . . . . A 170 VAL CG2 . 30632 1 84 . 1 1 8 8 VAL N N 15 122.664 0.06 . . . . . . A 170 VAL N . 30632 1 85 . 1 1 9 9 MET H H 1 8.481 0.00 . . . . . . A 171 MET H . 30632 1 86 . 1 1 9 9 MET HA H 1 4.477 0.00 . . . . . . A 171 MET HA . 30632 1 87 . 1 1 9 9 MET HB3 H 1 1.918 0.00 . . . . . . A 171 MET HB3 . 30632 1 88 . 1 1 9 9 MET HG3 H 1 2.447 0.00 . . . . . . A 171 MET HG3 . 30632 1 89 . 1 1 9 9 MET HE1 H 1 2.038 0.00 . . . . . . A 171 MET HE1 . 30632 1 90 . 1 1 9 9 MET HE2 H 1 2.038 0.00 . . . . . . A 171 MET HE2 . 30632 1 91 . 1 1 9 9 MET HE3 H 1 2.038 0.00 . . . . . . A 171 MET HE3 . 30632 1 92 . 1 1 9 9 MET C C 13 172.924 0.00 . . . . . . A 171 MET C . 30632 1 93 . 1 1 9 9 MET CA C 13 55.128 0.08 . . . . . . A 171 MET CA . 30632 1 94 . 1 1 9 9 MET CB C 13 33.042 0.03 . . . . . . A 171 MET CB . 30632 1 95 . 1 1 9 9 MET CG C 13 32.010 0.01 . . . . . . A 171 MET CG . 30632 1 96 . 1 1 9 9 MET CE C 13 17.019 0.00 . . . . . . A 171 MET CE . 30632 1 97 . 1 1 9 9 MET N N 15 124.509 0.00 . . . . . . A 171 MET N . 30632 1 98 . 1 1 10 10 SER H H 1 8.229 0.00 . . . . . . A 172 SER H . 30632 1 99 . 1 1 10 10 SER HA H 1 4.441 0.00 . . . . . . A 172 SER HA . 30632 1 100 . 1 1 10 10 SER HB2 H 1 3.768 0.00 . . . . . . A 172 SER HB2 . 30632 1 101 . 1 1 10 10 SER HB3 H 1 3.743 0.01 . . . . . . A 172 SER HB3 . 30632 1 102 . 1 1 10 10 SER C C 13 171.073 0.00 . . . . . . A 172 SER C . 30632 1 103 . 1 1 10 10 SER CA C 13 57.838 0.03 . . . . . . A 172 SER CA . 30632 1 104 . 1 1 10 10 SER CB C 13 64.162 0.05 . . . . . . A 172 SER CB . 30632 1 105 . 1 1 10 10 SER N N 15 116.785 0.02 . . . . . . A 172 SER N . 30632 1 106 . 1 1 11 11 TYR H H 1 8.309 0.00 . . . . . . A 173 TYR H . 30632 1 107 . 1 1 11 11 TYR HA H 1 4.600 0.00 . . . . . . A 173 TYR HA . 30632 1 108 . 1 1 11 11 TYR HB2 H 1 2.885 0.00 . . . . . . A 173 TYR HB2 . 30632 1 109 . 1 1 11 11 TYR HB3 H 1 3.075 0.00 . . . . . . A 173 TYR HB3 . 30632 1 110 . 1 1 11 11 TYR HD1 H 1 7.083 0.00 . . . . . . A 173 TYR HD1 . 30632 1 111 . 1 1 11 11 TYR HD2 H 1 7.068 0.01 . . . . . . A 173 TYR HD2 . 30632 1 112 . 1 1 11 11 TYR HE1 H 1 6.772 0.00 . . . . . . A 173 TYR HE1 . 30632 1 113 . 1 1 11 11 TYR HE2 H 1 6.766 0.00 . . . . . . A 173 TYR HE2 . 30632 1 114 . 1 1 11 11 TYR C C 13 173.358 0.00 . . . . . . A 173 TYR C . 30632 1 115 . 1 1 11 11 TYR CA C 13 57.876 0.03 . . . . . . A 173 TYR CA . 30632 1 116 . 1 1 11 11 TYR CB C 13 39.083 0.04 . . . . . . A 173 TYR CB . 30632 1 117 . 1 1 11 11 TYR CD1 C 13 133.301 0.00 . . . . . . A 173 TYR CD1 . 30632 1 118 . 1 1 11 11 TYR CD2 C 13 133.315 0.00 . . . . . . A 173 TYR CD2 . 30632 1 119 . 1 1 11 11 TYR CE1 C 13 118.166 0.00 . . . . . . A 173 TYR CE1 . 30632 1 120 . 1 1 11 11 TYR CE2 C 13 118.191 0.00 . . . . . . A 173 TYR CE2 . 30632 1 121 . 1 1 11 11 TYR N N 15 121.941 0.06 . . . . . . A 173 TYR N . 30632 1 122 . 1 1 12 12 GLY H H 1 8.388 0.00 . . . . . . A 174 GLY H . 30632 1 123 . 1 1 12 12 GLY HA3 H 1 3.914 0.00 . . . . . . A 174 GLY HA3 . 30632 1 124 . 1 1 12 12 GLY C C 13 170.902 0.00 . . . . . . A 174 GLY C . 30632 1 125 . 1 1 12 12 GLY CA C 13 45.429 0.08 . . . . . . A 174 GLY CA . 30632 1 126 . 1 1 12 12 GLY N N 15 110.218 0.03 . . . . . . A 174 GLY N . 30632 1 127 . 1 1 13 13 ASN H H 1 8.350 0.00 . . . . . . A 175 ASN H . 30632 1 128 . 1 1 13 13 ASN HA H 1 4.770 0.00 . . . . . . A 175 ASN HA . 30632 1 129 . 1 1 13 13 ASN HB2 H 1 2.743 0.01 . . . . . . A 175 ASN HB2 . 30632 1 130 . 1 1 13 13 ASN HB3 H 1 2.837 0.00 . . . . . . A 175 ASN HB3 . 30632 1 131 . 1 1 13 13 ASN C C 13 172.624 0.00 . . . . . . A 175 ASN C . 30632 1 132 . 1 1 13 13 ASN CA C 13 53.148 0.06 . . . . . . A 175 ASN CA . 30632 1 133 . 1 1 13 13 ASN CB C 13 39.222 0.03 . . . . . . A 175 ASN CB . 30632 1 134 . 1 1 13 13 ASN N N 15 118.805 0.03 . . . . . . A 175 ASN N . 30632 1 135 . 1 1 14 14 SER H H 1 8.462 0.00 . . . . . . A 176 SER H . 30632 1 136 . 1 1 14 14 SER HA H 1 4.440 0.00 . . . . . . A 176 SER HA . 30632 1 137 . 1 1 14 14 SER HB2 H 1 3.898 0.00 . . . . . . A 176 SER HB2 . 30632 1 138 . 1 1 14 14 SER HB3 H 1 3.890 0.03 . . . . . . A 176 SER HB3 . 30632 1 139 . 1 1 14 14 SER C C 13 171.967 0.00 . . . . . . A 176 SER C . 30632 1 140 . 1 1 14 14 SER CA C 13 58.750 0.00 . . . . . . A 176 SER CA . 30632 1 141 . 1 1 14 14 SER CB C 13 63.898 0.01 . . . . . . A 176 SER CB . 30632 1 142 . 1 1 14 14 SER N N 15 116.674 0.03 . . . . . . A 176 SER N . 30632 1 143 . 1 1 15 15 GLU H H 1 8.534 0.00 . . . . . . A 177 GLU H . 30632 1 144 . 1 1 15 15 GLU HA H 1 4.273 0.00 . . . . . . A 177 GLU HA . 30632 1 145 . 1 1 15 15 GLU HB2 H 1 1.930 0.00 . . . . . . A 177 GLU HB2 . 30632 1 146 . 1 1 15 15 GLU HB3 H 1 2.066 0.00 . . . . . . A 177 GLU HB3 . 30632 1 147 . 1 1 15 15 GLU CA C 13 56.900 0.03 . . . . . . A 177 GLU CA . 30632 1 148 . 1 1 15 15 GLU CB C 13 30.087 0.07 . . . . . . A 177 GLU CB . 30632 1 149 . 1 1 15 15 GLU CG C 13 36.434 0.00 . . . . . . A 177 GLU CG . 30632 1 150 . 1 1 15 15 GLU N N 15 122.326 0.02 . . . . . . A 177 GLU N . 30632 1 151 . 1 1 16 16 GLU H H 1 8.356 0.00 . . . . . . A 178 GLU H . 30632 1 152 . 1 1 16 16 GLU HA H 1 4.267 0.00 . . . . . . A 178 GLU HA . 30632 1 153 . 1 1 16 16 GLU HB2 H 1 1.926 0.00 . . . . . . A 178 GLU HB2 . 30632 1 154 . 1 1 16 16 GLU HB3 H 1 2.050 0.01 . . . . . . A 178 GLU HB3 . 30632 1 155 . 1 1 16 16 GLU HG3 H 1 2.240 0.00 . . . . . . A 178 GLU HG3 . 30632 1 156 . 1 1 16 16 GLU C C 13 173.681 0.00 . . . . . . A 178 GLU C . 30632 1 157 . 1 1 16 16 GLU CA C 13 56.779 0.03 . . . . . . A 178 GLU CA . 30632 1 158 . 1 1 16 16 GLU CB C 13 30.220 0.03 . . . . . . A 178 GLU CB . 30632 1 159 . 1 1 16 16 GLU CG C 13 36.340 0.02 . . . . . . A 178 GLU CG . 30632 1 160 . 1 1 16 16 GLU N N 15 121.069 0.02 . . . . . . A 178 GLU N . 30632 1 161 . 1 1 17 17 ASP H H 1 8.306 0.00 . . . . . . A 179 ASP H . 30632 1 162 . 1 1 17 17 ASP HA H 1 4.585 0.00 . . . . . . A 179 ASP HA . 30632 1 163 . 1 1 17 17 ASP HB3 H 1 2.703 0.00 . . . . . . A 179 ASP HB3 . 30632 1 164 . 1 1 17 17 ASP C C 13 174.326 0.00 . . . . . . A 179 ASP C . 30632 1 165 . 1 1 17 17 ASP CA C 13 54.442 0.04 . . . . . . A 179 ASP CA . 30632 1 166 . 1 1 17 17 ASP CB C 13 41.243 0.02 . . . . . . A 179 ASP CB . 30632 1 167 . 1 1 17 17 ASP N N 15 121.235 0.02 . . . . . . A 179 ASP N . 30632 1 168 . 1 1 18 18 GLY H H 1 8.424 0.00 . . . . . . A 180 GLY H . 30632 1 169 . 1 1 18 18 GLY HA2 H 1 3.968 0.00 . . . . . . A 180 GLY HA2 . 30632 1 170 . 1 1 18 18 GLY CA C 13 46.932 0.00 . . . . . . A 180 GLY CA . 30632 1 171 . 1 1 18 18 GLY N N 15 109.991 0.03 . . . . . . A 180 GLY N . 30632 1 172 . 1 1 19 19 SER HA H 1 4.440 0.00 . . . . . . A 181 SER HA . 30632 1 173 . 1 1 19 19 SER HB2 H 1 3.894 0.00 . . . . . . A 181 SER HB2 . 30632 1 174 . 1 1 20 20 GLY H H 1 8.564 0.00 . . . . . . A 182 GLY H . 30632 1 175 . 1 1 20 20 GLY N N 15 110.939 0.00 . . . . . . A 182 GLY N . 30632 1 176 . 1 1 21 21 GLY HA2 H 1 4.359 0.00 . . . . . . A 183 GLY HA2 . 30632 1 177 . 1 1 21 21 GLY CA C 13 44.952 0.00 . . . . . . A 183 GLY CA . 30632 1 178 . 1 1 22 22 SER HA H 1 4.452 0.01 . . . . . . A 184 SER HA . 30632 1 179 . 1 1 22 22 SER CA C 13 58.654 0.08 . . . . . . A 184 SER CA . 30632 1 180 . 1 1 22 22 SER CB C 13 63.882 0.04 . . . . . . A 184 SER CB . 30632 1 181 . 1 1 23 23 GLY H H 1 8.563 0.00 . . . . . . A 185 GLY H . 30632 1 182 . 1 1 23 23 GLY HA3 H 1 4.027 0.00 . . . . . . A 185 GLY HA3 . 30632 1 183 . 1 1 23 23 GLY C C 13 171.970 0.00 . . . . . . A 185 GLY C . 30632 1 184 . 1 1 23 23 GLY CA C 13 45.627 0.05 . . . . . . A 185 GLY CA . 30632 1 185 . 1 1 23 23 GLY N N 15 110.916 0.00 . . . . . . A 185 GLY N . 30632 1 186 . 1 1 24 24 GLY H H 1 8.402 0.00 . . . . . . A 186 GLY H . 30632 1 187 . 1 1 24 24 GLY HA2 H 1 3.995 0.00 . . . . . . A 186 GLY HA2 . 30632 1 188 . 1 1 24 24 GLY C C 13 172.124 0.00 . . . . . . A 186 GLY C . 30632 1 189 . 1 1 24 24 GLY CA C 13 45.571 0.04 . . . . . . A 186 GLY CA . 30632 1 190 . 1 1 24 24 GLY N N 15 109.163 0.03 . . . . . . A 186 GLY N . 30632 1 191 . 1 1 25 25 SER H H 1 8.366 0.00 . . . . . . A 187 SER H . 30632 1 192 . 1 1 25 25 SER C C 13 172.587 0.00 . . . . . . A 187 SER C . 30632 1 193 . 1 1 25 25 SER CA C 13 58.917 0.04 . . . . . . A 187 SER CA . 30632 1 194 . 1 1 25 25 SER CB C 13 64.068 0.00 . . . . . . A 187 SER CB . 30632 1 195 . 1 1 25 25 SER N N 15 116.015 0.07 . . . . . . A 187 SER N . 30632 1 196 . 1 1 26 26 GLY H H 1 8.561 0.00 . . . . . . A 188 GLY H . 30632 1 197 . 1 1 26 26 GLY HA3 H 1 4.044 0.00 . . . . . . A 188 GLY HA3 . 30632 1 198 . 1 1 26 26 GLY C C 13 172.414 0.00 . . . . . . A 188 GLY C . 30632 1 199 . 1 1 26 26 GLY N N 15 110.921 0.01 . . . . . . A 188 GLY N . 30632 1 200 . 1 1 27 27 GLY H H 1 8.422 0.00 . . . . . . A 189 GLY H . 30632 1 201 . 1 1 27 27 GLY CA C 13 47.013 0.00 . . . . . . A 189 GLY CA . 30632 1 202 . 1 1 27 27 GLY N N 15 116.383 0.06 . . . . . . A 189 GLY N . 30632 1 203 . 1 1 28 28 SER H H 1 8.574 0.01 . . . . . . A 190 SER H . 30632 1 204 . 1 1 28 28 SER HA H 1 4.478 0.00 . . . . . . A 190 SER HA . 30632 1 205 . 1 1 28 28 SER HB3 H 1 3.962 0.00 . . . . . . A 190 SER HB3 . 30632 1 206 . 1 1 28 28 SER C C 13 172.188 0.00 . . . . . . A 190 SER C . 30632 1 207 . 1 1 28 28 SER CA C 13 59.432 0.03 . . . . . . A 190 SER CA . 30632 1 208 . 1 1 28 28 SER CB C 13 63.833 0.11 . . . . . . A 190 SER CB . 30632 1 209 . 1 1 28 28 SER N N 15 111.045 0.10 . . . . . . A 190 SER N . 30632 1 210 . 1 1 29 29 GLN H H 1 8.682 0.00 . . . . . . A 191 GLN H . 30632 1 211 . 1 1 29 29 GLN HA H 1 4.624 0.01 . . . . . . A 191 GLN HA . 30632 1 212 . 1 1 29 29 GLN HB2 H 1 2.051 0.00 . . . . . . A 191 GLN HB2 . 30632 1 213 . 1 1 29 29 GLN HB3 H 1 2.452 0.00 . . . . . . A 191 GLN HB3 . 30632 1 214 . 1 1 29 29 GLN HG2 H 1 2.411 0.00 . . . . . . A 191 GLN HG2 . 30632 1 215 . 1 1 29 29 GLN HG3 H 1 2.338 0.00 . . . . . . A 191 GLN HG3 . 30632 1 216 . 1 1 29 29 GLN C C 13 172.299 0.00 . . . . . . A 191 GLN C . 30632 1 217 . 1 1 29 29 GLN CA C 13 56.258 0.06 . . . . . . A 191 GLN CA . 30632 1 218 . 1 1 29 29 GLN CB C 13 29.288 0.06 . . . . . . A 191 GLN CB . 30632 1 219 . 1 1 29 29 GLN CG C 13 34.708 0.04 . . . . . . A 191 GLN CG . 30632 1 220 . 1 1 29 29 GLN N N 15 120.422 0.04 . . . . . . A 191 GLN N . 30632 1 221 . 1 1 30 30 ASP H H 1 7.988 0.00 . . . . . . A 192 ASP H . 30632 1 222 . 1 1 30 30 ASP HB2 H 1 2.840 0.00 . . . . . . A 192 ASP HB2 . 30632 1 223 . 1 1 30 30 ASP CB C 13 41.925 0.07 . . . . . . A 192 ASP CB . 30632 1 224 . 1 1 30 30 ASP N N 15 122.168 0.04 . . . . . . A 192 ASP N . 30632 1 225 . 1 1 31 31 LEU HB2 H 1 1.195 0.00 . . . . . . A 193 LEU HB2 . 30632 1 226 . 1 1 31 31 LEU HB3 H 1 1.421 0.00 . . . . . . A 193 LEU HB3 . 30632 1 227 . 1 1 31 31 LEU HG H 1 1.274 0.00 . . . . . . A 193 LEU HG . 30632 1 228 . 1 1 31 31 LEU HD11 H 1 0.647 0.01 . . . . . . A 193 LEU HD11 . 30632 1 229 . 1 1 31 31 LEU HD12 H 1 0.647 0.01 . . . . . . A 193 LEU HD12 . 30632 1 230 . 1 1 31 31 LEU HD13 H 1 0.647 0.01 . . . . . . A 193 LEU HD13 . 30632 1 231 . 1 1 31 31 LEU HD21 H 1 0.469 0.00 . . . . . . A 193 LEU HD21 . 30632 1 232 . 1 1 31 31 LEU HD22 H 1 0.469 0.00 . . . . . . A 193 LEU HD22 . 30632 1 233 . 1 1 31 31 LEU HD23 H 1 0.469 0.00 . . . . . . A 193 LEU HD23 . 30632 1 234 . 1 1 31 31 LEU CA C 13 53.257 0.04 . . . . . . A 193 LEU CA . 30632 1 235 . 1 1 31 31 LEU CB C 13 47.012 0.03 . . . . . . A 193 LEU CB . 30632 1 236 . 1 1 31 31 LEU CG C 13 26.813 0.02 . . . . . . A 193 LEU CG . 30632 1 237 . 1 1 31 31 LEU CD1 C 13 24.848 0.00 . . . . . . A 193 LEU CD1 . 30632 1 238 . 1 1 31 31 LEU CD2 C 13 24.465 0.01 . . . . . . A 193 LEU CD2 . 30632 1 239 . 1 1 32 32 TYR H H 1 8.845 0.00 . . . . . . A 194 TYR H . 30632 1 240 . 1 1 32 32 TYR HA H 1 5.500 0.00 . . . . . . A 194 TYR HA . 30632 1 241 . 1 1 32 32 TYR HD1 H 1 7.078 0.00 . . . . . . A 194 TYR HD1 . 30632 1 242 . 1 1 32 32 TYR HD2 H 1 7.078 0.00 . . . . . . A 194 TYR HD2 . 30632 1 243 . 1 1 32 32 TYR HE1 H 1 6.427 0.00 . . . . . . A 194 TYR HE1 . 30632 1 244 . 1 1 32 32 TYR HE2 H 1 6.428 0.00 . . . . . . A 194 TYR HE2 . 30632 1 245 . 1 1 32 32 TYR CA C 13 56.979 0.00 . . . . . . A 194 TYR CA . 30632 1 246 . 1 1 32 32 TYR CB C 13 41.065 0.00 . . . . . . A 194 TYR CB . 30632 1 247 . 1 1 32 32 TYR CD1 C 13 133.315 0.00 . . . . . . A 194 TYR CD1 . 30632 1 248 . 1 1 32 32 TYR CD2 C 13 133.315 0.00 . . . . . . A 194 TYR CD2 . 30632 1 249 . 1 1 32 32 TYR CE1 C 13 117.604 0.00 . . . . . . A 194 TYR CE1 . 30632 1 250 . 1 1 32 32 TYR CE2 C 13 117.601 0.00 . . . . . . A 194 TYR CE2 . 30632 1 251 . 1 1 32 32 TYR N N 15 121.658 0.00 . . . . . . A 194 TYR N . 30632 1 252 . 1 1 33 33 ALA H H 1 8.926 0.00 . . . . . . A 195 ALA H . 30632 1 253 . 1 1 33 33 ALA HA H 1 4.924 0.00 . . . . . . A 195 ALA HA . 30632 1 254 . 1 1 33 33 ALA HB1 H 1 1.544 0.00 . . . . . . A 195 ALA HB1 . 30632 1 255 . 1 1 33 33 ALA HB2 H 1 1.544 0.00 . . . . . . A 195 ALA HB2 . 30632 1 256 . 1 1 33 33 ALA HB3 H 1 1.544 0.00 . . . . . . A 195 ALA HB3 . 30632 1 257 . 1 1 33 33 ALA CA C 13 51.064 0.05 . . . . . . A 195 ALA CA . 30632 1 258 . 1 1 33 33 ALA CB C 13 22.985 0.04 . . . . . . A 195 ALA CB . 30632 1 259 . 1 1 33 33 ALA N N 15 124.447 0.00 . . . . . . A 195 ALA N . 30632 1 260 . 1 1 34 34 THR HA H 1 4.986 0.00 . . . . . . A 196 THR HA . 30632 1 261 . 1 1 34 34 THR HB H 1 4.027 0.00 . . . . . . A 196 THR HB . 30632 1 262 . 1 1 34 34 THR HG21 H 1 1.184 0.00 . . . . . . A 196 THR HG21 . 30632 1 263 . 1 1 34 34 THR HG22 H 1 1.184 0.00 . . . . . . A 196 THR HG22 . 30632 1 264 . 1 1 34 34 THR HG23 H 1 1.184 0.00 . . . . . . A 196 THR HG23 . 30632 1 265 . 1 1 34 34 THR C C 13 170.247 0.00 . . . . . . A 196 THR C . 30632 1 266 . 1 1 34 34 THR CA C 13 62.032 0.03 . . . . . . A 196 THR CA . 30632 1 267 . 1 1 34 34 THR CB C 13 71.023 0.08 . . . . . . A 196 THR CB . 30632 1 268 . 1 1 34 34 THR CG2 C 13 22.341 0.10 . . . . . . A 196 THR CG2 . 30632 1 269 . 1 1 35 35 LEU H H 1 8.721 0.00 . . . . . . A 197 LEU H . 30632 1 270 . 1 1 35 35 LEU HA H 1 4.654 0.00 . . . . . . A 197 LEU HA . 30632 1 271 . 1 1 35 35 LEU HB2 H 1 1.537 0.00 . . . . . . A 197 LEU HB2 . 30632 1 272 . 1 1 35 35 LEU HB3 H 1 1.193 0.01 . . . . . . A 197 LEU HB3 . 30632 1 273 . 1 1 35 35 LEU HG H 1 1.272 0.00 . . . . . . A 197 LEU HG . 30632 1 274 . 1 1 35 35 LEU HD11 H 1 0.561 0.00 . . . . . . A 197 LEU HD11 . 30632 1 275 . 1 1 35 35 LEU HD12 H 1 0.561 0.00 . . . . . . A 197 LEU HD12 . 30632 1 276 . 1 1 35 35 LEU HD13 H 1 0.561 0.00 . . . . . . A 197 LEU HD13 . 30632 1 277 . 1 1 35 35 LEU HD21 H 1 0.914 0.00 . . . . . . A 197 LEU HD21 . 30632 1 278 . 1 1 35 35 LEU HD22 H 1 0.914 0.00 . . . . . . A 197 LEU HD22 . 30632 1 279 . 1 1 35 35 LEU HD23 H 1 0.914 0.00 . . . . . . A 197 LEU HD23 . 30632 1 280 . 1 1 35 35 LEU C C 13 170.848 0.00 . . . . . . A 197 LEU C . 30632 1 281 . 1 1 35 35 LEU CA C 13 53.167 0.07 . . . . . . A 197 LEU CA . 30632 1 282 . 1 1 35 35 LEU CB C 13 47.145 0.06 . . . . . . A 197 LEU CB . 30632 1 283 . 1 1 35 35 LEU CG C 13 26.812 0.00 . . . . . . A 197 LEU CG . 30632 1 284 . 1 1 35 35 LEU CD1 C 13 26.428 0.04 . . . . . . A 197 LEU CD1 . 30632 1 285 . 1 1 35 35 LEU CD2 C 13 23.609 0.05 . . . . . . A 197 LEU CD2 . 30632 1 286 . 1 1 35 35 LEU N N 15 126.443 0.02 . . . . . . A 197 LEU N . 30632 1 287 . 1 1 36 36 ASP H H 1 8.621 0.00 . . . . . . A 198 ASP H . 30632 1 288 . 1 1 36 36 ASP HA H 1 5.165 0.00 . . . . . . A 198 ASP HA . 30632 1 289 . 1 1 36 36 ASP HB2 H 1 2.477 0.00 . . . . . . A 198 ASP HB2 . 30632 1 290 . 1 1 36 36 ASP HB3 H 1 2.641 0.00 . . . . . . A 198 ASP HB3 . 30632 1 291 . 1 1 36 36 ASP C C 13 173.026 0.00 . . . . . . A 198 ASP C . 30632 1 292 . 1 1 36 36 ASP CA C 13 54.218 0.03 . . . . . . A 198 ASP CA . 30632 1 293 . 1 1 36 36 ASP CB C 13 40.719 0.03 . . . . . . A 198 ASP CB . 30632 1 294 . 1 1 36 36 ASP N N 15 129.644 0.01 . . . . . . A 198 ASP N . 30632 1 295 . 1 1 37 37 VAL H H 1 9.237 0.00 . . . . . . A 199 VAL H . 30632 1 296 . 1 1 37 37 VAL HA H 1 4.492 0.00 . . . . . . A 199 VAL HA . 30632 1 297 . 1 1 37 37 VAL HB H 1 1.907 0.00 . . . . . . A 199 VAL HB . 30632 1 298 . 1 1 37 37 VAL HG11 H 1 0.853 0.00 . . . . . . A 199 VAL HG11 . 30632 1 299 . 1 1 37 37 VAL HG12 H 1 0.853 0.00 . . . . . . A 199 VAL HG12 . 30632 1 300 . 1 1 37 37 VAL HG13 H 1 0.853 0.00 . . . . . . A 199 VAL HG13 . 30632 1 301 . 1 1 37 37 VAL HG21 H 1 0.798 0.00 . . . . . . A 199 VAL HG21 . 30632 1 302 . 1 1 37 37 VAL HG22 H 1 0.798 0.00 . . . . . . A 199 VAL HG22 . 30632 1 303 . 1 1 37 37 VAL HG23 H 1 0.798 0.00 . . . . . . A 199 VAL HG23 . 30632 1 304 . 1 1 37 37 VAL CA C 13 58.607 0.07 . . . . . . A 199 VAL CA . 30632 1 305 . 1 1 37 37 VAL CB C 13 34.970 0.05 . . . . . . A 199 VAL CB . 30632 1 306 . 1 1 37 37 VAL CG1 C 13 23.045 0.03 . . . . . . A 199 VAL CG1 . 30632 1 307 . 1 1 37 37 VAL CG2 C 13 21.812 0.04 . . . . . . A 199 VAL CG2 . 30632 1 308 . 1 1 37 37 VAL N N 15 124.798 0.03 . . . . . . A 199 VAL N . 30632 1 309 . 1 1 38 38 PRO HA H 1 4.651 0.01 . . . . . . A 200 PRO HA . 30632 1 310 . 1 1 38 38 PRO HB3 H 1 2.469 0.00 . . . . . . A 200 PRO HB3 . 30632 1 311 . 1 1 38 38 PRO HD2 H 1 3.370 0.00 . . . . . . A 200 PRO HD2 . 30632 1 312 . 1 1 38 38 PRO HD3 H 1 3.921 0.00 . . . . . . A 200 PRO HD3 . 30632 1 313 . 1 1 38 38 PRO C C 13 175.813 0.00 . . . . . . A 200 PRO C . 30632 1 314 . 1 1 38 38 PRO CA C 13 62.437 0.06 . . . . . . A 200 PRO CA . 30632 1 315 . 1 1 38 38 PRO CB C 13 33.179 0.07 . . . . . . A 200 PRO CB . 30632 1 316 . 1 1 38 38 PRO CG C 13 28.119 0.00 . . . . . . A 200 PRO CG . 30632 1 317 . 1 1 38 38 PRO CD C 13 51.219 0.01 . . . . . . A 200 PRO CD . 30632 1 318 . 1 1 39 39 ALA H H 1 9.020 0.00 . . . . . . A 201 ALA H . 30632 1 319 . 1 1 39 39 ALA HA H 1 4.164 0.00 . . . . . . A 201 ALA HA . 30632 1 320 . 1 1 39 39 ALA HB1 H 1 1.445 0.00 . . . . . . A 201 ALA HB1 . 30632 1 321 . 1 1 39 39 ALA HB2 H 1 1.445 0.00 . . . . . . A 201 ALA HB2 . 30632 1 322 . 1 1 39 39 ALA HB3 H 1 1.445 0.00 . . . . . . A 201 ALA HB3 . 30632 1 323 . 1 1 39 39 ALA CA C 13 57.119 0.02 . . . . . . A 201 ALA CA . 30632 1 324 . 1 1 39 39 ALA CB C 13 16.080 0.03 . . . . . . A 201 ALA CB . 30632 1 325 . 1 1 39 39 ALA N N 15 127.319 0.02 . . . . . . A 201 ALA N . 30632 1 326 . 1 1 40 40 PRO HA H 1 4.337 0.00 . . . . . . A 202 PRO HA . 30632 1 327 . 1 1 40 40 PRO HB3 H 1 2.360 0.00 . . . . . . A 202 PRO HB3 . 30632 1 328 . 1 1 40 40 PRO HG2 H 1 1.972 0.00 . . . . . . A 202 PRO HG2 . 30632 1 329 . 1 1 40 40 PRO HG3 H 1 2.024 0.01 . . . . . . A 202 PRO HG3 . 30632 1 330 . 1 1 40 40 PRO HD2 H 1 3.863 0.00 . . . . . . A 202 PRO HD2 . 30632 1 331 . 1 1 40 40 PRO HD3 H 1 3.533 0.00 . . . . . . A 202 PRO HD3 . 30632 1 332 . 1 1 40 40 PRO C C 13 177.114 0.00 . . . . . . A 202 PRO C . 30632 1 333 . 1 1 40 40 PRO CA C 13 66.174 0.04 . . . . . . A 202 PRO CA . 30632 1 334 . 1 1 40 40 PRO CB C 13 31.442 0.06 . . . . . . A 202 PRO CB . 30632 1 335 . 1 1 40 40 PRO CG C 13 28.451 0.04 . . . . . . A 202 PRO CG . 30632 1 336 . 1 1 40 40 PRO CD C 13 50.365 0.05 . . . . . . A 202 PRO CD . 30632 1 337 . 1 1 41 41 ILE H H 1 7.131 0.00 . . . . . . A 203 ILE H . 30632 1 338 . 1 1 41 41 ILE HA H 1 3.595 0.00 . . . . . . A 203 ILE HA . 30632 1 339 . 1 1 41 41 ILE HB H 1 1.852 0.00 . . . . . . A 203 ILE HB . 30632 1 340 . 1 1 41 41 ILE HG12 H 1 1.547 0.00 . . . . . . A 203 ILE HG12 . 30632 1 341 . 1 1 41 41 ILE HG13 H 1 1.202 0.00 . . . . . . A 203 ILE HG13 . 30632 1 342 . 1 1 41 41 ILE HG21 H 1 0.498 0.00 . . . . . . A 203 ILE HG21 . 30632 1 343 . 1 1 41 41 ILE HG22 H 1 0.498 0.00 . . . . . . A 203 ILE HG22 . 30632 1 344 . 1 1 41 41 ILE HG23 H 1 0.498 0.00 . . . . . . A 203 ILE HG23 . 30632 1 345 . 1 1 41 41 ILE HD11 H 1 0.798 0.00 . . . . . . A 203 ILE HD11 . 30632 1 346 . 1 1 41 41 ILE HD12 H 1 0.798 0.00 . . . . . . A 203 ILE HD12 . 30632 1 347 . 1 1 41 41 ILE HD13 H 1 0.798 0.00 . . . . . . A 203 ILE HD13 . 30632 1 348 . 1 1 41 41 ILE C C 13 173.984 0.00 . . . . . . A 203 ILE C . 30632 1 349 . 1 1 41 41 ILE CA C 13 62.611 0.03 . . . . . . A 203 ILE CA . 30632 1 350 . 1 1 41 41 ILE CB C 13 36.606 0.06 . . . . . . A 203 ILE CB . 30632 1 351 . 1 1 41 41 ILE CG1 C 13 28.478 0.05 . . . . . . A 203 ILE CG1 . 30632 1 352 . 1 1 41 41 ILE CG2 C 13 16.139 0.05 . . . . . . A 203 ILE CG2 . 30632 1 353 . 1 1 41 41 ILE CD1 C 13 11.743 0.07 . . . . . . A 203 ILE CD1 . 30632 1 354 . 1 1 41 41 ILE N N 15 116.600 0.05 . . . . . . A 203 ILE N . 30632 1 355 . 1 1 42 42 ALA H H 1 7.546 0.00 . . . . . . A 204 ALA H . 30632 1 356 . 1 1 42 42 ALA HA H 1 3.761 0.00 . . . . . . A 204 ALA HA . 30632 1 357 . 1 1 42 42 ALA HB1 H 1 1.369 0.00 . . . . . . A 204 ALA HB1 . 30632 1 358 . 1 1 42 42 ALA HB2 H 1 1.369 0.00 . . . . . . A 204 ALA HB2 . 30632 1 359 . 1 1 42 42 ALA HB3 H 1 1.369 0.00 . . . . . . A 204 ALA HB3 . 30632 1 360 . 1 1 42 42 ALA C C 13 175.001 0.00 . . . . . . A 204 ALA C . 30632 1 361 . 1 1 42 42 ALA CA C 13 54.961 0.06 . . . . . . A 204 ALA CA . 30632 1 362 . 1 1 42 42 ALA CB C 13 17.287 0.09 . . . . . . A 204 ALA CB . 30632 1 363 . 1 1 42 42 ALA N N 15 121.855 0.04 . . . . . . A 204 ALA N . 30632 1 364 . 1 1 43 43 VAL H H 1 7.303 0.00 . . . . . . A 205 VAL H . 30632 1 365 . 1 1 43 43 VAL HA H 1 3.739 0.00 . . . . . . A 205 VAL HA . 30632 1 366 . 1 1 43 43 VAL HB H 1 2.091 0.01 . . . . . . A 205 VAL HB . 30632 1 367 . 1 1 43 43 VAL HG11 H 1 0.945 0.00 . . . . . . A 205 VAL HG11 . 30632 1 368 . 1 1 43 43 VAL HG12 H 1 0.945 0.00 . . . . . . A 205 VAL HG12 . 30632 1 369 . 1 1 43 43 VAL HG13 H 1 0.945 0.00 . . . . . . A 205 VAL HG13 . 30632 1 370 . 1 1 43 43 VAL HG21 H 1 1.063 0.00 . . . . . . A 205 VAL HG21 . 30632 1 371 . 1 1 43 43 VAL HG22 H 1 1.063 0.00 . . . . . . A 205 VAL HG22 . 30632 1 372 . 1 1 43 43 VAL HG23 H 1 1.063 0.00 . . . . . . A 205 VAL HG23 . 30632 1 373 . 1 1 43 43 VAL C C 13 176.650 0.00 . . . . . . A 205 VAL C . 30632 1 374 . 1 1 43 43 VAL CA C 13 67.035 0.05 . . . . . . A 205 VAL CA . 30632 1 375 . 1 1 43 43 VAL CB C 13 32.280 0.09 . . . . . . A 205 VAL CB . 30632 1 376 . 1 1 43 43 VAL CG1 C 13 21.267 0.02 . . . . . . A 205 VAL CG1 . 30632 1 377 . 1 1 43 43 VAL CG2 C 13 22.378 0.06 . . . . . . A 205 VAL CG2 . 30632 1 378 . 1 1 43 43 VAL N N 15 111.965 0.02 . . . . . . A 205 VAL N . 30632 1 379 . 1 1 44 44 VAL H H 1 7.186 0.00 . . . . . . A 206 VAL H . 30632 1 380 . 1 1 44 44 VAL HA H 1 4.222 0.00 . . . . . . A 206 VAL HA . 30632 1 381 . 1 1 44 44 VAL HB H 1 2.306 0.00 . . . . . . A 206 VAL HB . 30632 1 382 . 1 1 44 44 VAL HG11 H 1 1.151 0.00 . . . . . . A 206 VAL HG11 . 30632 1 383 . 1 1 44 44 VAL HG12 H 1 1.151 0.00 . . . . . . A 206 VAL HG12 . 30632 1 384 . 1 1 44 44 VAL HG13 H 1 1.151 0.00 . . . . . . A 206 VAL HG13 . 30632 1 385 . 1 1 44 44 VAL HG21 H 1 1.069 0.00 . . . . . . A 206 VAL HG21 . 30632 1 386 . 1 1 44 44 VAL HG22 H 1 1.069 0.00 . . . . . . A 206 VAL HG22 . 30632 1 387 . 1 1 44 44 VAL HG23 H 1 1.069 0.00 . . . . . . A 206 VAL HG23 . 30632 1 388 . 1 1 44 44 VAL C C 13 174.637 0.00 . . . . . . A 206 VAL C . 30632 1 389 . 1 1 44 44 VAL CA C 13 63.132 0.01 . . . . . . A 206 VAL CA . 30632 1 390 . 1 1 44 44 VAL CB C 13 33.242 0.04 . . . . . . A 206 VAL CB . 30632 1 391 . 1 1 44 44 VAL CG1 C 13 19.644 0.05 . . . . . . A 206 VAL CG1 . 30632 1 392 . 1 1 44 44 VAL CG2 C 13 21.941 0.04 . . . . . . A 206 VAL CG2 . 30632 1 393 . 1 1 44 44 VAL N N 15 113.264 0.03 . . . . . . A 206 VAL N . 30632 1 394 . 1 1 45 45 GLY H H 1 8.423 0.00 . . . . . . A 207 GLY H . 30632 1 395 . 1 1 45 45 GLY HA3 H 1 4.069 0.00 . . . . . . A 207 GLY HA3 . 30632 1 396 . 1 1 45 45 GLY C C 13 169.741 0.00 . . . . . . A 207 GLY C . 30632 1 397 . 1 1 45 45 GLY CA C 13 43.847 0.09 . . . . . . A 207 GLY CA . 30632 1 398 . 1 1 45 45 GLY N N 15 113.736 0.04 . . . . . . A 207 GLY N . 30632 1 399 . 1 1 46 46 GLY H H 1 8.144 0.00 . . . . . . A 208 GLY H . 30632 1 400 . 1 1 46 46 GLY HA2 H 1 3.885 0.00 . . . . . . A 208 GLY HA2 . 30632 1 401 . 1 1 46 46 GLY HA3 H 1 4.128 0.00 . . . . . . A 208 GLY HA3 . 30632 1 402 . 1 1 46 46 GLY C C 13 168.542 0.00 . . . . . . A 208 GLY C . 30632 1 403 . 1 1 46 46 GLY CA C 13 45.594 0.08 . . . . . . A 208 GLY CA . 30632 1 404 . 1 1 46 46 GLY N N 15 104.952 0.03 . . . . . . A 208 GLY N . 30632 1 405 . 1 1 47 47 LYS H H 1 8.416 0.00 . . . . . . A 209 LYS H . 30632 1 406 . 1 1 47 47 LYS HA H 1 5.291 0.00 . . . . . . A 209 LYS HA . 30632 1 407 . 1 1 47 47 LYS HB2 H 1 1.615 0.01 . . . . . . A 209 LYS HB2 . 30632 1 408 . 1 1 47 47 LYS HB3 H 1 1.500 0.00 . . . . . . A 209 LYS HB3 . 30632 1 409 . 1 1 47 47 LYS HG2 H 1 1.372 0.00 . . . . . . A 209 LYS HG2 . 30632 1 410 . 1 1 47 47 LYS HG3 H 1 1.179 0.00 . . . . . . A 209 LYS HG3 . 30632 1 411 . 1 1 47 47 LYS HD2 H 1 1.460 0.01 . . . . . . A 209 LYS HD2 . 30632 1 412 . 1 1 47 47 LYS HD3 H 1 1.530 0.00 . . . . . . A 209 LYS HD3 . 30632 1 413 . 1 1 47 47 LYS HE2 H 1 2.846 0.00 . . . . . . A 209 LYS HE2 . 30632 1 414 . 1 1 47 47 LYS C C 13 173.331 0.00 . . . . . . A 209 LYS C . 30632 1 415 . 1 1 47 47 LYS CA C 13 55.148 0.04 . . . . . . A 209 LYS CA . 30632 1 416 . 1 1 47 47 LYS CB C 13 35.014 0.08 . . . . . . A 209 LYS CB . 30632 1 417 . 1 1 47 47 LYS CG C 13 24.945 0.07 . . . . . . A 209 LYS CG . 30632 1 418 . 1 1 47 47 LYS CD C 13 29.263 0.04 . . . . . . A 209 LYS CD . 30632 1 419 . 1 1 47 47 LYS CE C 13 42.057 0.02 . . . . . . A 209 LYS CE . 30632 1 420 . 1 1 47 47 LYS N N 15 120.822 0.05 . . . . . . A 209 LYS N . 30632 1 421 . 1 1 48 48 VAL H H 1 8.678 0.00 . . . . . . A 210 VAL H . 30632 1 422 . 1 1 48 48 VAL HA H 1 4.498 0.01 . . . . . . A 210 VAL HA . 30632 1 423 . 1 1 48 48 VAL HB H 1 2.084 0.01 . . . . . . A 210 VAL HB . 30632 1 424 . 1 1 48 48 VAL HG11 H 1 0.819 0.00 . . . . . . A 210 VAL HG11 . 30632 1 425 . 1 1 48 48 VAL HG12 H 1 0.819 0.00 . . . . . . A 210 VAL HG12 . 30632 1 426 . 1 1 48 48 VAL HG13 H 1 0.819 0.00 . . . . . . A 210 VAL HG13 . 30632 1 427 . 1 1 48 48 VAL HG21 H 1 1.011 0.00 . . . . . . A 210 VAL HG21 . 30632 1 428 . 1 1 48 48 VAL HG22 H 1 1.011 0.00 . . . . . . A 210 VAL HG22 . 30632 1 429 . 1 1 48 48 VAL HG23 H 1 1.011 0.00 . . . . . . A 210 VAL HG23 . 30632 1 430 . 1 1 48 48 VAL C C 13 171.249 0.00 . . . . . . A 210 VAL C . 30632 1 431 . 1 1 48 48 VAL CA C 13 59.741 0.03 . . . . . . A 210 VAL CA . 30632 1 432 . 1 1 48 48 VAL CB C 13 35.745 0.07 . . . . . . A 210 VAL CB . 30632 1 433 . 1 1 48 48 VAL CG1 C 13 20.802 0.08 . . . . . . A 210 VAL CG1 . 30632 1 434 . 1 1 48 48 VAL CG2 C 13 22.189 0.07 . . . . . . A 210 VAL CG2 . 30632 1 435 . 1 1 48 48 VAL N N 15 117.463 0.04 . . . . . . A 210 VAL N . 30632 1 436 . 1 1 49 49 ARG H H 1 8.505 0.00 . . . . . . A 211 ARG H . 30632 1 437 . 1 1 49 49 ARG HA H 1 4.842 0.00 . . . . . . A 211 ARG HA . 30632 1 438 . 1 1 49 49 ARG HB2 H 1 1.651 0.01 . . . . . . A 211 ARG HB2 . 30632 1 439 . 1 1 49 49 ARG HB3 H 1 1.734 0.01 . . . . . . A 211 ARG HB3 . 30632 1 440 . 1 1 49 49 ARG HG2 H 1 1.406 0.00 . . . . . . A 211 ARG HG2 . 30632 1 441 . 1 1 49 49 ARG HG3 H 1 1.563 0.00 . . . . . . A 211 ARG HG3 . 30632 1 442 . 1 1 49 49 ARG HD3 H 1 3.107 0.00 . . . . . . A 211 ARG HD3 . 30632 1 443 . 1 1 49 49 ARG C C 13 172.214 0.00 . . . . . . A 211 ARG C . 30632 1 444 . 1 1 49 49 ARG CA C 13 55.871 0.04 . . . . . . A 211 ARG CA . 30632 1 445 . 1 1 49 49 ARG CB C 13 31.378 0.06 . . . . . . A 211 ARG CB . 30632 1 446 . 1 1 49 49 ARG CG C 13 27.725 0.04 . . . . . . A 211 ARG CG . 30632 1 447 . 1 1 49 49 ARG CD C 13 43.617 0.03 . . . . . . A 211 ARG CD . 30632 1 448 . 1 1 49 49 ARG N N 15 123.445 0.06 . . . . . . A 211 ARG N . 30632 1 449 . 1 1 50 50 ALA H H 1 9.037 0.00 . . . . . . A 212 ALA H . 30632 1 450 . 1 1 50 50 ALA HA H 1 4.626 0.00 . . . . . . A 212 ALA HA . 30632 1 451 . 1 1 50 50 ALA HB1 H 1 1.135 0.00 . . . . . . A 212 ALA HB1 . 30632 1 452 . 1 1 50 50 ALA HB2 H 1 1.135 0.00 . . . . . . A 212 ALA HB2 . 30632 1 453 . 1 1 50 50 ALA HB3 H 1 1.135 0.00 . . . . . . A 212 ALA HB3 . 30632 1 454 . 1 1 50 50 ALA C C 13 172.838 0.00 . . . . . . A 212 ALA C . 30632 1 455 . 1 1 50 50 ALA CA C 13 50.149 0.03 . . . . . . A 212 ALA CA . 30632 1 456 . 1 1 50 50 ALA CB C 13 22.369 0.09 . . . . . . A 212 ALA CB . 30632 1 457 . 1 1 50 50 ALA N N 15 127.467 0.04 . . . . . . A 212 ALA N . 30632 1 458 . 1 1 51 51 MET H H 1 8.470 0.00 . . . . . . A 213 MET H . 30632 1 459 . 1 1 51 51 MET HB3 H 1 2.360 0.00 . . . . . . A 213 MET HB3 . 30632 1 460 . 1 1 51 51 MET HE1 H 1 2.004 0.00 . . . . . . A 213 MET HE1 . 30632 1 461 . 1 1 51 51 MET HE2 H 1 2.004 0.00 . . . . . . A 213 MET HE2 . 30632 1 462 . 1 1 51 51 MET HE3 H 1 2.004 0.00 . . . . . . A 213 MET HE3 . 30632 1 463 . 1 1 51 51 MET CA C 13 50.285 0.09 . . . . . . A 213 MET CA . 30632 1 464 . 1 1 51 51 MET CB C 13 31.534 0.07 . . . . . . A 213 MET CB . 30632 1 465 . 1 1 51 51 MET CE C 13 16.330 0.00 . . . . . . A 213 MET CE . 30632 1 466 . 1 1 51 51 MET N N 15 120.472 0.03 . . . . . . A 213 MET N . 30632 1 467 . 1 1 52 52 THR HA H 1 4.407 0.00 . . . . . . A 214 THR HA . 30632 1 468 . 1 1 52 52 THR HB H 1 4.651 0.01 . . . . . . A 214 THR HB . 30632 1 469 . 1 1 52 52 THR C C 13 173.079 0.00 . . . . . . A 214 THR C . 30632 1 470 . 1 1 52 52 THR CA C 13 59.842 0.05 . . . . . . A 214 THR CA . 30632 1 471 . 1 1 52 52 THR CB C 13 72.036 0.06 . . . . . . A 214 THR CB . 30632 1 472 . 1 1 52 52 THR CG2 C 13 21.401 0.12 . . . . . . A 214 THR CG2 . 30632 1 473 . 1 1 53 53 LEU H H 1 9.056 0.01 . . . . . . A 215 LEU H . 30632 1 474 . 1 1 53 53 LEU HA H 1 4.072 0.00 . . . . . . A 215 LEU HA . 30632 1 475 . 1 1 53 53 LEU HB2 H 1 1.630 0.00 . . . . . . A 215 LEU HB2 . 30632 1 476 . 1 1 53 53 LEU HB3 H 1 1.829 0.00 . . . . . . A 215 LEU HB3 . 30632 1 477 . 1 1 53 53 LEU HG H 1 1.742 0.00 . . . . . . A 215 LEU HG . 30632 1 478 . 1 1 53 53 LEU HD11 H 1 0.892 0.00 . . . . . . A 215 LEU HD11 . 30632 1 479 . 1 1 53 53 LEU HD12 H 1 0.892 0.00 . . . . . . A 215 LEU HD12 . 30632 1 480 . 1 1 53 53 LEU HD13 H 1 0.892 0.00 . . . . . . A 215 LEU HD13 . 30632 1 481 . 1 1 53 53 LEU HD21 H 1 0.910 0.00 . . . . . . A 215 LEU HD21 . 30632 1 482 . 1 1 53 53 LEU HD22 H 1 0.910 0.00 . . . . . . A 215 LEU HD22 . 30632 1 483 . 1 1 53 53 LEU HD23 H 1 0.910 0.00 . . . . . . A 215 LEU HD23 . 30632 1 484 . 1 1 53 53 LEU C C 13 175.144 0.00 . . . . . . A 215 LEU C . 30632 1 485 . 1 1 53 53 LEU CA C 13 57.956 0.03 . . . . . . A 215 LEU CA . 30632 1 486 . 1 1 53 53 LEU CB C 13 41.434 0.05 . . . . . . A 215 LEU CB . 30632 1 487 . 1 1 53 53 LEU CG C 13 27.374 0.06 . . . . . . A 215 LEU CG . 30632 1 488 . 1 1 53 53 LEU CD1 C 13 25.145 0.14 . . . . . . A 215 LEU CD1 . 30632 1 489 . 1 1 53 53 LEU CD2 C 13 23.524 0.02 . . . . . . A 215 LEU CD2 . 30632 1 490 . 1 1 53 53 LEU N N 15 121.071 0.06 . . . . . . A 215 LEU N . 30632 1 491 . 1 1 54 54 GLU H H 1 7.784 0.00 . . . . . . A 216 GLU H . 30632 1 492 . 1 1 54 54 GLU HA H 1 4.357 0.01 . . . . . . A 216 GLU HA . 30632 1 493 . 1 1 54 54 GLU HB3 H 1 2.154 0.00 . . . . . . A 216 GLU HB3 . 30632 1 494 . 1 1 54 54 GLU HG2 H 1 2.069 0.00 . . . . . . A 216 GLU HG2 . 30632 1 495 . 1 1 54 54 GLU HG3 H 1 2.282 0.00 . . . . . . A 216 GLU HG3 . 30632 1 496 . 1 1 54 54 GLU C C 13 172.777 0.00 . . . . . . A 216 GLU C . 30632 1 497 . 1 1 54 54 GLU CA C 13 56.398 0.03 . . . . . . A 216 GLU CA . 30632 1 498 . 1 1 54 54 GLU CB C 13 29.838 0.07 . . . . . . A 216 GLU CB . 30632 1 499 . 1 1 54 54 GLU CG C 13 37.202 0.04 . . . . . . A 216 GLU CG . 30632 1 500 . 1 1 54 54 GLU N N 15 115.217 0.02 . . . . . . A 216 GLU N . 30632 1 501 . 1 1 55 55 GLY H H 1 7.294 0.01 . . . . . . A 217 GLY H . 30632 1 502 . 1 1 55 55 GLY CA C 13 44.153 0.00 . . . . . . A 217 GLY CA . 30632 1 503 . 1 1 55 55 GLY N N 15 107.985 0.02 . . . . . . A 217 GLY N . 30632 1 504 . 1 1 56 56 PRO HA H 1 5.161 0.00 . . . . . . A 218 PRO HA . 30632 1 505 . 1 1 56 56 PRO HB2 H 1 2.089 0.00 . . . . . . A 218 PRO HB2 . 30632 1 506 . 1 1 56 56 PRO HB3 H 1 1.785 0.00 . . . . . . A 218 PRO HB3 . 30632 1 507 . 1 1 56 56 PRO HG2 H 1 2.007 0.02 . . . . . . A 218 PRO HG2 . 30632 1 508 . 1 1 56 56 PRO HG3 H 1 2.097 0.00 . . . . . . A 218 PRO HG3 . 30632 1 509 . 1 1 56 56 PRO HD2 H 1 3.537 0.00 . . . . . . A 218 PRO HD2 . 30632 1 510 . 1 1 56 56 PRO HD3 H 1 3.675 0.00 . . . . . . A 218 PRO HD3 . 30632 1 511 . 1 1 56 56 PRO C C 13 174.471 0.00 . . . . . . A 218 PRO C . 30632 1 512 . 1 1 56 56 PRO CA C 13 62.868 0.10 . . . . . . A 218 PRO CA . 30632 1 513 . 1 1 56 56 PRO CB C 13 32.253 0.07 . . . . . . A 218 PRO CB . 30632 1 514 . 1 1 56 56 PRO CG C 13 27.315 0.08 . . . . . . A 218 PRO CG . 30632 1 515 . 1 1 56 56 PRO CD C 13 49.593 0.08 . . . . . . A 218 PRO CD . 30632 1 516 . 1 1 57 57 VAL H H 1 8.980 0.00 . . . . . . A 219 VAL H . 30632 1 517 . 1 1 57 57 VAL HA H 1 4.460 0.00 . . . . . . A 219 VAL HA . 30632 1 518 . 1 1 57 57 VAL HB H 1 1.934 0.00 . . . . . . A 219 VAL HB . 30632 1 519 . 1 1 57 57 VAL HG11 H 1 0.761 0.00 . . . . . . A 219 VAL HG11 . 30632 1 520 . 1 1 57 57 VAL HG12 H 1 0.761 0.00 . . . . . . A 219 VAL HG12 . 30632 1 521 . 1 1 57 57 VAL HG13 H 1 0.761 0.00 . . . . . . A 219 VAL HG13 . 30632 1 522 . 1 1 57 57 VAL HG21 H 1 0.693 0.00 . . . . . . A 219 VAL HG21 . 30632 1 523 . 1 1 57 57 VAL HG22 H 1 0.693 0.00 . . . . . . A 219 VAL HG22 . 30632 1 524 . 1 1 57 57 VAL HG23 H 1 0.693 0.00 . . . . . . A 219 VAL HG23 . 30632 1 525 . 1 1 57 57 VAL CA C 13 59.862 0.02 . . . . . . A 219 VAL CA . 30632 1 526 . 1 1 57 57 VAL CB C 13 35.910 0.07 . . . . . . A 219 VAL CB . 30632 1 527 . 1 1 57 57 VAL CG1 C 13 21.459 0.04 . . . . . . A 219 VAL CG1 . 30632 1 528 . 1 1 57 57 VAL CG2 C 13 20.352 0.05 . . . . . . A 219 VAL CG2 . 30632 1 529 . 1 1 57 57 VAL N N 15 119.238 0.02 . . . . . . A 219 VAL N . 30632 1 530 . 1 1 58 58 GLU H H 1 8.480 0.00 . . . . . . A 220 GLU H . 30632 1 531 . 1 1 58 58 GLU HA H 1 4.687 0.00 . . . . . . A 220 GLU HA . 30632 1 532 . 1 1 58 58 GLU HB2 H 1 1.720 0.00 . . . . . . A 220 GLU HB2 . 30632 1 533 . 1 1 58 58 GLU HB3 H 1 1.882 0.01 . . . . . . A 220 GLU HB3 . 30632 1 534 . 1 1 58 58 GLU HG2 H 1 2.166 0.00 . . . . . . A 220 GLU HG2 . 30632 1 535 . 1 1 58 58 GLU HG3 H 1 1.929 0.01 . . . . . . A 220 GLU HG3 . 30632 1 536 . 1 1 58 58 GLU C C 13 172.795 0.00 . . . . . . A 220 GLU C . 30632 1 537 . 1 1 58 58 GLU CA C 13 55.908 0.04 . . . . . . A 220 GLU CA . 30632 1 538 . 1 1 58 58 GLU CB C 13 31.156 0.09 . . . . . . A 220 GLU CB . 30632 1 539 . 1 1 58 58 GLU CG C 13 37.286 0.03 . . . . . . A 220 GLU CG . 30632 1 540 . 1 1 58 58 GLU N N 15 122.857 0.10 . . . . . . A 220 GLU N . 30632 1 541 . 1 1 59 59 VAL H H 1 9.139 0.00 . . . . . . A 221 VAL H . 30632 1 542 . 1 1 59 59 VAL HA H 1 4.162 0.01 . . . . . . A 221 VAL HA . 30632 1 543 . 1 1 59 59 VAL HB H 1 1.839 0.00 . . . . . . A 221 VAL HB . 30632 1 544 . 1 1 59 59 VAL HG11 H 1 0.683 0.00 . . . . . . A 221 VAL HG11 . 30632 1 545 . 1 1 59 59 VAL HG12 H 1 0.683 0.00 . . . . . . A 221 VAL HG12 . 30632 1 546 . 1 1 59 59 VAL HG13 H 1 0.683 0.00 . . . . . . A 221 VAL HG13 . 30632 1 547 . 1 1 59 59 VAL HG21 H 1 0.718 0.00 . . . . . . A 221 VAL HG21 . 30632 1 548 . 1 1 59 59 VAL HG22 H 1 0.718 0.00 . . . . . . A 221 VAL HG22 . 30632 1 549 . 1 1 59 59 VAL HG23 H 1 0.718 0.00 . . . . . . A 221 VAL HG23 . 30632 1 550 . 1 1 59 59 VAL C C 13 171.270 0.00 . . . . . . A 221 VAL C . 30632 1 551 . 1 1 59 59 VAL CA C 13 60.743 0.02 . . . . . . A 221 VAL CA . 30632 1 552 . 1 1 59 59 VAL CB C 13 34.263 0.07 . . . . . . A 221 VAL CB . 30632 1 553 . 1 1 59 59 VAL CG1 C 13 21.460 0.06 . . . . . . A 221 VAL CG1 . 30632 1 554 . 1 1 59 59 VAL CG2 C 13 21.780 0.00 . . . . . . A 221 VAL CG2 . 30632 1 555 . 1 1 59 59 VAL N N 15 125.056 0.02 . . . . . . A 221 VAL N . 30632 1 556 . 1 1 60 60 ALA H H 1 8.395 0.00 . . . . . . A 222 ALA H . 30632 1 557 . 1 1 60 60 ALA HA H 1 4.510 0.00 . . . . . . A 222 ALA HA . 30632 1 558 . 1 1 60 60 ALA HB1 H 1 1.251 0.01 . . . . . . A 222 ALA HB1 . 30632 1 559 . 1 1 60 60 ALA HB2 H 1 1.251 0.01 . . . . . . A 222 ALA HB2 . 30632 1 560 . 1 1 60 60 ALA HB3 H 1 1.251 0.01 . . . . . . A 222 ALA HB3 . 30632 1 561 . 1 1 60 60 ALA C C 13 173.028 0.00 . . . . . . A 222 ALA C . 30632 1 562 . 1 1 60 60 ALA CA C 13 51.316 0.08 . . . . . . A 222 ALA CA . 30632 1 563 . 1 1 60 60 ALA CB C 13 18.501 0.04 . . . . . . A 222 ALA CB . 30632 1 564 . 1 1 60 60 ALA N N 15 128.157 0.04 . . . . . . A 222 ALA N . 30632 1 565 . 1 1 61 61 VAL H H 1 8.925 0.00 . . . . . . A 223 VAL H . 30632 1 566 . 1 1 61 61 VAL HA H 1 4.239 0.00 . . . . . . A 223 VAL HA . 30632 1 567 . 1 1 61 61 VAL HG11 H 1 0.782 0.00 . . . . . . A 223 VAL HG11 . 30632 1 568 . 1 1 61 61 VAL HG12 H 1 0.782 0.00 . . . . . . A 223 VAL HG12 . 30632 1 569 . 1 1 61 61 VAL HG13 H 1 0.782 0.00 . . . . . . A 223 VAL HG13 . 30632 1 570 . 1 1 61 61 VAL HG21 H 1 0.880 0.00 . . . . . . A 223 VAL HG21 . 30632 1 571 . 1 1 61 61 VAL HG22 H 1 0.880 0.00 . . . . . . A 223 VAL HG22 . 30632 1 572 . 1 1 61 61 VAL HG23 H 1 0.880 0.00 . . . . . . A 223 VAL HG23 . 30632 1 573 . 1 1 61 61 VAL CA C 13 59.371 0.02 . . . . . . A 223 VAL CA . 30632 1 574 . 1 1 61 61 VAL CB C 13 32.721 0.04 . . . . . . A 223 VAL CB . 30632 1 575 . 1 1 61 61 VAL CG1 C 13 21.749 0.01 . . . . . . A 223 VAL CG1 . 30632 1 576 . 1 1 61 61 VAL CG2 C 13 21.325 0.00 . . . . . . A 223 VAL CG2 . 30632 1 577 . 1 1 61 61 VAL N N 15 125.737 0.03 . . . . . . A 223 VAL N . 30632 1 578 . 1 1 62 62 PRO HA H 1 4.712 0.01 . . . . . . A 224 PRO HA . 30632 1 579 . 1 1 62 62 PRO HB2 H 1 1.760 0.01 . . . . . . A 224 PRO HB2 . 30632 1 580 . 1 1 62 62 PRO HB3 H 1 2.400 0.00 . . . . . . A 224 PRO HB3 . 30632 1 581 . 1 1 62 62 PRO HG2 H 1 1.923 0.00 . . . . . . A 224 PRO HG2 . 30632 1 582 . 1 1 62 62 PRO HD2 H 1 4.035 0.00 . . . . . . A 224 PRO HD2 . 30632 1 583 . 1 1 62 62 PRO HD3 H 1 3.594 0.00 . . . . . . A 224 PRO HD3 . 30632 1 584 . 1 1 62 62 PRO CA C 13 61.270 0.01 . . . . . . A 224 PRO CA . 30632 1 585 . 1 1 62 62 PRO CB C 13 30.710 0.06 . . . . . . A 224 PRO CB . 30632 1 586 . 1 1 62 62 PRO CG C 13 27.074 0.04 . . . . . . A 224 PRO CG . 30632 1 587 . 1 1 62 62 PRO CD C 13 51.062 0.05 . . . . . . A 224 PRO CD . 30632 1 588 . 1 1 63 63 PRO HA H 1 3.980 0.00 . . . . . . A 225 PRO HA . 30632 1 589 . 1 1 63 63 PRO HB2 H 1 1.754 0.00 . . . . . . A 225 PRO HB2 . 30632 1 590 . 1 1 63 63 PRO HB3 H 1 2.210 0.00 . . . . . . A 225 PRO HB3 . 30632 1 591 . 1 1 63 63 PRO HG2 H 1 1.955 0.00 . . . . . . A 225 PRO HG2 . 30632 1 592 . 1 1 63 63 PRO HG3 H 1 2.025 0.00 . . . . . . A 225 PRO HG3 . 30632 1 593 . 1 1 63 63 PRO HD2 H 1 3.524 0.00 . . . . . . A 225 PRO HD2 . 30632 1 594 . 1 1 63 63 PRO HD3 H 1 3.824 0.00 . . . . . . A 225 PRO HD3 . 30632 1 595 . 1 1 63 63 PRO C C 13 172.978 0.00 . . . . . . A 225 PRO C . 30632 1 596 . 1 1 63 63 PRO CA C 13 63.061 0.07 . . . . . . A 225 PRO CA . 30632 1 597 . 1 1 63 63 PRO CB C 13 32.154 0.11 . . . . . . A 225 PRO CB . 30632 1 598 . 1 1 63 63 PRO CG C 13 27.340 0.03 . . . . . . A 225 PRO CG . 30632 1 599 . 1 1 63 63 PRO CD C 13 49.995 0.02 . . . . . . A 225 PRO CD . 30632 1 600 . 1 1 64 64 ARG H H 1 8.338 0.00 . . . . . . A 226 ARG H . 30632 1 601 . 1 1 64 64 ARG HA H 1 3.888 0.00 . . . . . . A 226 ARG HA . 30632 1 602 . 1 1 64 64 ARG HB2 H 1 2.054 0.00 . . . . . . A 226 ARG HB2 . 30632 1 603 . 1 1 64 64 ARG HB3 H 1 1.912 0.01 . . . . . . A 226 ARG HB3 . 30632 1 604 . 1 1 64 64 ARG HG3 H 1 1.491 0.00 . . . . . . A 226 ARG HG3 . 30632 1 605 . 1 1 64 64 ARG HD2 H 1 3.288 0.00 . . . . . . A 226 ARG HD2 . 30632 1 606 . 1 1 64 64 ARG HD3 H 1 3.187 0.01 . . . . . . A 226 ARG HD3 . 30632 1 607 . 1 1 64 64 ARG C C 13 173.702 0.00 . . . . . . A 226 ARG C . 30632 1 608 . 1 1 64 64 ARG CA C 13 56.717 0.05 . . . . . . A 226 ARG CA . 30632 1 609 . 1 1 64 64 ARG CB C 13 26.456 0.09 . . . . . . A 226 ARG CB . 30632 1 610 . 1 1 64 64 ARG CG C 13 27.703 0.09 . . . . . . A 226 ARG CG . 30632 1 611 . 1 1 64 64 ARG CD C 13 43.324 0.06 . . . . . . A 226 ARG CD . 30632 1 612 . 1 1 64 64 ARG N N 15 117.328 0.09 . . . . . . A 226 ARG N . 30632 1 613 . 1 1 65 65 THR H H 1 8.523 0.00 . . . . . . A 227 THR H . 30632 1 614 . 1 1 65 65 THR HA H 1 3.941 0.00 . . . . . . A 227 THR HA . 30632 1 615 . 1 1 65 65 THR HB H 1 3.926 0.00 . . . . . . A 227 THR HB . 30632 1 616 . 1 1 65 65 THR HG21 H 1 1.100 0.00 . . . . . . A 227 THR HG21 . 30632 1 617 . 1 1 65 65 THR HG22 H 1 1.100 0.00 . . . . . . A 227 THR HG22 . 30632 1 618 . 1 1 65 65 THR HG23 H 1 1.100 0.00 . . . . . . A 227 THR HG23 . 30632 1 619 . 1 1 65 65 THR C C 13 170.421 0.00 . . . . . . A 227 THR C . 30632 1 620 . 1 1 65 65 THR CA C 13 66.003 0.09 . . . . . . A 227 THR CA . 30632 1 621 . 1 1 65 65 THR CB C 13 69.236 0.03 . . . . . . A 227 THR CB . 30632 1 622 . 1 1 65 65 THR CG2 C 13 23.306 0.05 . . . . . . A 227 THR CG2 . 30632 1 623 . 1 1 65 65 THR N N 15 120.062 0.07 . . . . . . A 227 THR N . 30632 1 624 . 1 1 66 66 GLN H H 1 8.165 0.00 . . . . . . A 228 GLN H . 30632 1 625 . 1 1 66 66 GLN HA H 1 4.440 0.00 . . . . . . A 228 GLN HA . 30632 1 626 . 1 1 66 66 GLN HB2 H 1 1.861 0.00 . . . . . . A 228 GLN HB2 . 30632 1 627 . 1 1 66 66 GLN HB3 H 1 2.156 0.00 . . . . . . A 228 GLN HB3 . 30632 1 628 . 1 1 66 66 GLN HG3 H 1 2.363 0.00 . . . . . . A 228 GLN HG3 . 30632 1 629 . 1 1 66 66 GLN CA C 13 53.433 0.04 . . . . . . A 228 GLN CA . 30632 1 630 . 1 1 66 66 GLN CB C 13 31.472 0.04 . . . . . . A 228 GLN CB . 30632 1 631 . 1 1 66 66 GLN CG C 13 33.968 0.05 . . . . . . A 228 GLN CG . 30632 1 632 . 1 1 66 66 GLN N N 15 125.372 0.05 . . . . . . A 228 GLN N . 30632 1 633 . 1 1 67 67 ALA H H 1 8.527 0.00 . . . . . . A 229 ALA H . 30632 1 634 . 1 1 67 67 ALA HA H 1 3.842 0.00 . . . . . . A 229 ALA HA . 30632 1 635 . 1 1 67 67 ALA HB1 H 1 1.452 0.00 . . . . . . A 229 ALA HB1 . 30632 1 636 . 1 1 67 67 ALA HB2 H 1 1.452 0.00 . . . . . . A 229 ALA HB2 . 30632 1 637 . 1 1 67 67 ALA HB3 H 1 1.452 0.00 . . . . . . A 229 ALA HB3 . 30632 1 638 . 1 1 67 67 ALA C C 13 176.078 0.00 . . . . . . A 229 ALA C . 30632 1 639 . 1 1 67 67 ALA CA C 13 53.557 0.06 . . . . . . A 229 ALA CA . 30632 1 640 . 1 1 67 67 ALA CB C 13 18.501 0.08 . . . . . . A 229 ALA CB . 30632 1 641 . 1 1 67 67 ALA N N 15 121.998 0.05 . . . . . . A 229 ALA N . 30632 1 642 . 1 1 68 68 GLY H H 1 9.111 0.00 . . . . . . A 230 GLY H . 30632 1 643 . 1 1 68 68 GLY HA2 H 1 4.360 0.00 . . . . . . A 230 GLY HA2 . 30632 1 644 . 1 1 68 68 GLY HA3 H 1 4.390 0.00 . . . . . . A 230 GLY HA3 . 30632 1 645 . 1 1 68 68 GLY C C 13 171.540 0.00 . . . . . . A 230 GLY C . 30632 1 646 . 1 1 68 68 GLY CA C 13 44.936 0.04 . . . . . . A 230 GLY CA . 30632 1 647 . 1 1 68 68 GLY N N 15 111.211 0.03 . . . . . . A 230 GLY N . 30632 1 648 . 1 1 69 69 ARG H H 1 7.595 0.00 . . . . . . A 231 ARG H . 30632 1 649 . 1 1 69 69 ARG HA H 1 4.150 0.00 . . . . . . A 231 ARG HA . 30632 1 650 . 1 1 69 69 ARG HB2 H 1 1.704 0.00 . . . . . . A 231 ARG HB2 . 30632 1 651 . 1 1 69 69 ARG HB3 H 1 2.165 0.00 . . . . . . A 231 ARG HB3 . 30632 1 652 . 1 1 69 69 ARG HG3 H 1 1.712 0.00 . . . . . . A 231 ARG HG3 . 30632 1 653 . 1 1 69 69 ARG HD2 H 1 3.200 0.00 . . . . . . A 231 ARG HD2 . 30632 1 654 . 1 1 69 69 ARG HD3 H 1 3.429 0.00 . . . . . . A 231 ARG HD3 . 30632 1 655 . 1 1 69 69 ARG C C 13 172.159 0.00 . . . . . . A 231 ARG C . 30632 1 656 . 1 1 69 69 ARG CA C 13 56.696 0.03 . . . . . . A 231 ARG CA . 30632 1 657 . 1 1 69 69 ARG CB C 13 30.686 0.06 . . . . . . A 231 ARG CB . 30632 1 658 . 1 1 69 69 ARG CG C 13 27.520 0.10 . . . . . . A 231 ARG CG . 30632 1 659 . 1 1 69 69 ARG CD C 13 43.530 0.02 . . . . . . A 231 ARG CD . 30632 1 660 . 1 1 69 69 ARG N N 15 121.792 0.02 . . . . . . A 231 ARG N . 30632 1 661 . 1 1 70 70 LYS H H 1 8.729 0.00 . . . . . . A 232 LYS H . 30632 1 662 . 1 1 70 70 LYS HA H 1 5.348 0.00 . . . . . . A 232 LYS HA . 30632 1 663 . 1 1 70 70 LYS HB2 H 1 1.636 0.01 . . . . . . A 232 LYS HB2 . 30632 1 664 . 1 1 70 70 LYS HB3 H 1 1.948 0.00 . . . . . . A 232 LYS HB3 . 30632 1 665 . 1 1 70 70 LYS HG2 H 1 1.651 0.00 . . . . . . A 232 LYS HG2 . 30632 1 666 . 1 1 70 70 LYS HG3 H 1 1.387 0.00 . . . . . . A 232 LYS HG3 . 30632 1 667 . 1 1 70 70 LYS HD2 H 1 1.705 0.01 . . . . . . A 232 LYS HD2 . 30632 1 668 . 1 1 70 70 LYS HD3 H 1 1.656 0.01 . . . . . . A 232 LYS HD3 . 30632 1 669 . 1 1 70 70 LYS HE3 H 1 2.986 0.00 . . . . . . A 232 LYS HE3 . 30632 1 670 . 1 1 70 70 LYS C C 13 173.750 0.00 . . . . . . A 232 LYS C . 30632 1 671 . 1 1 70 70 LYS CA C 13 54.872 0.05 . . . . . . A 232 LYS CA . 30632 1 672 . 1 1 70 70 LYS CB C 13 33.961 0.05 . . . . . . A 232 LYS CB . 30632 1 673 . 1 1 70 70 LYS CG C 13 25.744 0.08 . . . . . . A 232 LYS CG . 30632 1 674 . 1 1 70 70 LYS CD C 13 29.406 0.07 . . . . . . A 232 LYS CD . 30632 1 675 . 1 1 70 70 LYS CE C 13 42.130 0.05 . . . . . . A 232 LYS CE . 30632 1 676 . 1 1 70 70 LYS N N 15 123.899 0.01 . . . . . . A 232 LYS N . 30632 1 677 . 1 1 71 71 LEU H H 1 9.344 0.00 . . . . . . A 233 LEU H . 30632 1 678 . 1 1 71 71 LEU HA H 1 4.663 0.00 . . . . . . A 233 LEU HA . 30632 1 679 . 1 1 71 71 LEU HB2 H 1 1.647 0.00 . . . . . . A 233 LEU HB2 . 30632 1 680 . 1 1 71 71 LEU HB3 H 1 1.399 0.00 . . . . . . A 233 LEU HB3 . 30632 1 681 . 1 1 71 71 LEU HG H 1 1.633 0.00 . . . . . . A 233 LEU HG . 30632 1 682 . 1 1 71 71 LEU HD11 H 1 0.815 0.00 . . . . . . A 233 LEU HD11 . 30632 1 683 . 1 1 71 71 LEU HD12 H 1 0.815 0.00 . . . . . . A 233 LEU HD12 . 30632 1 684 . 1 1 71 71 LEU HD13 H 1 0.815 0.00 . . . . . . A 233 LEU HD13 . 30632 1 685 . 1 1 71 71 LEU HD21 H 1 0.740 0.00 . . . . . . A 233 LEU HD21 . 30632 1 686 . 1 1 71 71 LEU HD22 H 1 0.740 0.00 . . . . . . A 233 LEU HD22 . 30632 1 687 . 1 1 71 71 LEU HD23 H 1 0.740 0.00 . . . . . . A 233 LEU HD23 . 30632 1 688 . 1 1 71 71 LEU C C 13 172.166 0.00 . . . . . . A 233 LEU C . 30632 1 689 . 1 1 71 71 LEU CA C 13 53.630 0.10 . . . . . . A 233 LEU CA . 30632 1 690 . 1 1 71 71 LEU CB C 13 42.455 0.05 . . . . . . A 233 LEU CB . 30632 1 691 . 1 1 71 71 LEU CG C 13 27.237 0.03 . . . . . . A 233 LEU CG . 30632 1 692 . 1 1 71 71 LEU CD1 C 13 22.893 0.04 . . . . . . A 233 LEU CD1 . 30632 1 693 . 1 1 71 71 LEU CD2 C 13 25.985 0.09 . . . . . . A 233 LEU CD2 . 30632 1 694 . 1 1 71 71 LEU N N 15 126.433 0.03 . . . . . . A 233 LEU N . 30632 1 695 . 1 1 72 72 ARG H H 1 8.624 0.00 . . . . . . A 234 ARG H . 30632 1 696 . 1 1 72 72 ARG HA H 1 4.363 0.01 . . . . . . A 234 ARG HA . 30632 1 697 . 1 1 72 72 ARG HB2 H 1 1.517 0.00 . . . . . . A 234 ARG HB2 . 30632 1 698 . 1 1 72 72 ARG HB3 H 1 1.721 0.01 . . . . . . A 234 ARG HB3 . 30632 1 699 . 1 1 72 72 ARG HG3 H 1 1.152 0.00 . . . . . . A 234 ARG HG3 . 30632 1 700 . 1 1 72 72 ARG HD2 H 1 3.025 0.00 . . . . . . A 234 ARG HD2 . 30632 1 701 . 1 1 72 72 ARG C C 13 172.263 0.00 . . . . . . A 234 ARG C . 30632 1 702 . 1 1 72 72 ARG CA C 13 55.158 0.03 . . . . . . A 234 ARG CA . 30632 1 703 . 1 1 72 72 ARG CB C 13 32.779 0.14 . . . . . . A 234 ARG CB . 30632 1 704 . 1 1 72 72 ARG CG C 13 26.927 0.13 . . . . . . A 234 ARG CG . 30632 1 705 . 1 1 72 72 ARG CD C 13 43.615 0.08 . . . . . . A 234 ARG CD . 30632 1 706 . 1 1 72 72 ARG N N 15 123.545 0.03 . . . . . . A 234 ARG N . 30632 1 707 . 1 1 73 73 LEU H H 1 9.445 0.00 . . . . . . A 235 LEU H . 30632 1 708 . 1 1 73 73 LEU HA H 1 4.608 0.01 . . . . . . A 235 LEU HA . 30632 1 709 . 1 1 73 73 LEU HB2 H 1 1.323 0.00 . . . . . . A 235 LEU HB2 . 30632 1 710 . 1 1 73 73 LEU HB3 H 1 1.623 0.00 . . . . . . A 235 LEU HB3 . 30632 1 711 . 1 1 73 73 LEU HG H 1 1.511 0.01 . . . . . . A 235 LEU HG . 30632 1 712 . 1 1 73 73 LEU HD11 H 1 0.701 0.00 . . . . . . A 235 LEU HD11 . 30632 1 713 . 1 1 73 73 LEU HD12 H 1 0.701 0.00 . . . . . . A 235 LEU HD12 . 30632 1 714 . 1 1 73 73 LEU HD13 H 1 0.701 0.00 . . . . . . A 235 LEU HD13 . 30632 1 715 . 1 1 73 73 LEU HD21 H 1 0.750 0.00 . . . . . . A 235 LEU HD21 . 30632 1 716 . 1 1 73 73 LEU HD22 H 1 0.750 0.00 . . . . . . A 235 LEU HD22 . 30632 1 717 . 1 1 73 73 LEU HD23 H 1 0.750 0.00 . . . . . . A 235 LEU HD23 . 30632 1 718 . 1 1 73 73 LEU C C 13 173.556 0.00 . . . . . . A 235 LEU C . 30632 1 719 . 1 1 73 73 LEU CA C 13 53.761 0.05 . . . . . . A 235 LEU CA . 30632 1 720 . 1 1 73 73 LEU CB C 13 41.128 0.03 . . . . . . A 235 LEU CB . 30632 1 721 . 1 1 73 73 LEU CG C 13 27.933 0.06 . . . . . . A 235 LEU CG . 30632 1 722 . 1 1 73 73 LEU CD1 C 13 24.975 0.14 . . . . . . A 235 LEU CD1 . 30632 1 723 . 1 1 73 73 LEU CD2 C 13 24.638 0.01 . . . . . . A 235 LEU CD2 . 30632 1 724 . 1 1 73 73 LEU N N 15 130.610 0.03 . . . . . . A 235 LEU N . 30632 1 725 . 1 1 74 74 LYS H H 1 8.564 0.00 . . . . . . A 236 LYS H . 30632 1 726 . 1 1 74 74 LYS HA H 1 4.042 0.00 . . . . . . A 236 LYS HA . 30632 1 727 . 1 1 74 74 LYS HB2 H 1 1.676 0.00 . . . . . . A 236 LYS HB2 . 30632 1 728 . 1 1 74 74 LYS HB3 H 1 1.587 0.00 . . . . . . A 236 LYS HB3 . 30632 1 729 . 1 1 74 74 LYS HG2 H 1 1.232 0.00 . . . . . . A 236 LYS HG2 . 30632 1 730 . 1 1 74 74 LYS HG3 H 1 1.423 0.00 . . . . . . A 236 LYS HG3 . 30632 1 731 . 1 1 74 74 LYS HD3 H 1 1.622 0.00 . . . . . . A 236 LYS HD3 . 30632 1 732 . 1 1 74 74 LYS HE2 H 1 2.935 0.01 . . . . . . A 236 LYS HE2 . 30632 1 733 . 1 1 74 74 LYS C C 13 176.035 0.00 . . . . . . A 236 LYS C . 30632 1 734 . 1 1 74 74 LYS CA C 13 56.649 0.04 . . . . . . A 236 LYS CA . 30632 1 735 . 1 1 74 74 LYS CB C 13 32.227 0.07 . . . . . . A 236 LYS CB . 30632 1 736 . 1 1 74 74 LYS CG C 13 24.792 0.07 . . . . . . A 236 LYS CG . 30632 1 737 . 1 1 74 74 LYS CD C 13 29.039 0.10 . . . . . . A 236 LYS CD . 30632 1 738 . 1 1 74 74 LYS CE C 13 41.810 0.03 . . . . . . A 236 LYS CE . 30632 1 739 . 1 1 74 74 LYS N N 15 126.722 0.02 . . . . . . A 236 LYS N . 30632 1 740 . 1 1 75 75 GLY H H 1 9.316 0.01 . . . . . . A 237 GLY H . 30632 1 741 . 1 1 75 75 GLY HA2 H 1 3.722 0.00 . . . . . . A 237 GLY HA2 . 30632 1 742 . 1 1 75 75 GLY HA3 H 1 3.899 0.01 . . . . . . A 237 GLY HA3 . 30632 1 743 . 1 1 75 75 GLY C C 13 171.899 0.00 . . . . . . A 237 GLY C . 30632 1 744 . 1 1 75 75 GLY CA C 13 46.981 0.06 . . . . . . A 237 GLY CA . 30632 1 745 . 1 1 75 75 GLY N N 15 113.097 0.04 . . . . . . A 237 GLY N . 30632 1 746 . 1 1 76 76 LYS H H 1 6.526 0.00 . . . . . . A 238 LYS H . 30632 1 747 . 1 1 76 76 LYS HA H 1 4.665 0.01 . . . . . . A 238 LYS HA . 30632 1 748 . 1 1 76 76 LYS HB2 H 1 1.503 0.01 . . . . . . A 238 LYS HB2 . 30632 1 749 . 1 1 76 76 LYS HB3 H 1 2.216 0.00 . . . . . . A 238 LYS HB3 . 30632 1 750 . 1 1 76 76 LYS HG2 H 1 1.267 0.00 . . . . . . A 238 LYS HG2 . 30632 1 751 . 1 1 76 76 LYS HG3 H 1 1.226 0.01 . . . . . . A 238 LYS HG3 . 30632 1 752 . 1 1 76 76 LYS HE2 H 1 2.853 0.00 . . . . . . A 238 LYS HE2 . 30632 1 753 . 1 1 76 76 LYS C C 13 173.011 0.00 . . . . . . A 238 LYS C . 30632 1 754 . 1 1 76 76 LYS CA C 13 53.965 0.12 . . . . . . A 238 LYS CA . 30632 1 755 . 1 1 76 76 LYS CB C 13 32.150 0.09 . . . . . . A 238 LYS CB . 30632 1 756 . 1 1 76 76 LYS CG C 13 24.913 0.03 . . . . . . A 238 LYS CG . 30632 1 757 . 1 1 76 76 LYS CD C 13 29.131 0.09 . . . . . . A 238 LYS CD . 30632 1 758 . 1 1 76 76 LYS CE C 13 42.031 0.07 . . . . . . A 238 LYS CE . 30632 1 759 . 1 1 76 76 LYS N N 15 114.364 0.02 . . . . . . A 238 LYS N . 30632 1 760 . 1 1 77 77 GLY H H 1 8.224 0.00 . . . . . . A 239 GLY H . 30632 1 761 . 1 1 77 77 GLY HA3 H 1 4.100 0.00 . . . . . . A 239 GLY HA3 . 30632 1 762 . 1 1 77 77 GLY CA C 13 43.395 0.06 . . . . . . A 239 GLY CA . 30632 1 763 . 1 1 77 77 GLY N N 15 107.994 0.05 . . . . . . A 239 GLY N . 30632 1 764 . 1 1 78 78 PHE HB3 H 1 2.954 0.00 . . . . . . A 240 PHE HB3 . 30632 1 765 . 1 1 78 78 PHE HD1 H 1 7.184 0.00 . . . . . . A 240 PHE HD1 . 30632 1 766 . 1 1 78 78 PHE HD2 H 1 7.182 0.00 . . . . . . A 240 PHE HD2 . 30632 1 767 . 1 1 78 78 PHE HE1 H 1 7.283 0.00 . . . . . . A 240 PHE HE1 . 30632 1 768 . 1 1 78 78 PHE HE2 H 1 7.286 0.00 . . . . . . A 240 PHE HE2 . 30632 1 769 . 1 1 78 78 PHE CA C 13 58.344 0.00 . . . . . . A 240 PHE CA . 30632 1 770 . 1 1 78 78 PHE CB C 13 38.651 0.08 . . . . . . A 240 PHE CB . 30632 1 771 . 1 1 78 78 PHE CD1 C 13 130.722 0.00 . . . . . . A 240 PHE CD1 . 30632 1 772 . 1 1 78 78 PHE CD2 C 13 130.687 0.00 . . . . . . A 240 PHE CD2 . 30632 1 773 . 1 1 78 78 PHE CE1 C 13 131.813 0.00 . . . . . . A 240 PHE CE1 . 30632 1 774 . 1 1 78 78 PHE CE2 C 13 131.849 0.00 . . . . . . A 240 PHE CE2 . 30632 1 775 . 1 1 79 79 PRO HA H 1 4.560 0.00 . . . . . . A 241 PRO HA . 30632 1 776 . 1 1 79 79 PRO HB2 H 1 1.966 0.00 . . . . . . A 241 PRO HB2 . 30632 1 777 . 1 1 79 79 PRO HB3 H 1 2.194 0.00 . . . . . . A 241 PRO HB3 . 30632 1 778 . 1 1 79 79 PRO HG2 H 1 1.966 0.00 . . . . . . A 241 PRO HG2 . 30632 1 779 . 1 1 79 79 PRO HD2 H 1 3.580 0.00 . . . . . . A 241 PRO HD2 . 30632 1 780 . 1 1 79 79 PRO HD3 H 1 3.802 0.00 . . . . . . A 241 PRO HD3 . 30632 1 781 . 1 1 79 79 PRO C C 13 172.463 0.00 . . . . . . A 241 PRO C . 30632 1 782 . 1 1 79 79 PRO CA C 13 63.350 0.02 . . . . . . A 241 PRO CA . 30632 1 783 . 1 1 79 79 PRO CB C 13 32.358 0.09 . . . . . . A 241 PRO CB . 30632 1 784 . 1 1 79 79 PRO CG C 13 27.278 0.09 . . . . . . A 241 PRO CG . 30632 1 785 . 1 1 79 79 PRO CD C 13 50.713 0.04 . . . . . . A 241 PRO CD . 30632 1 786 . 1 1 80 80 GLY H H 1 7.812 0.00 . . . . . . A 242 GLY H . 30632 1 787 . 1 1 80 80 GLY CA C 13 45.027 0.00 . . . . . . A 242 GLY CA . 30632 1 788 . 1 1 80 80 GLY N N 15 109.528 0.05 . . . . . . A 242 GLY N . 30632 1 789 . 1 1 81 81 PRO HA H 1 4.300 0.00 . . . . . . A 243 PRO HA . 30632 1 790 . 1 1 81 81 PRO HB2 H 1 2.346 0.00 . . . . . . A 243 PRO HB2 . 30632 1 791 . 1 1 81 81 PRO HB3 H 1 1.947 0.00 . . . . . . A 243 PRO HB3 . 30632 1 792 . 1 1 81 81 PRO C C 13 174.665 0.00 . . . . . . A 243 PRO C . 30632 1 793 . 1 1 81 81 PRO CA C 13 64.883 0.03 . . . . . . A 243 PRO CA . 30632 1 794 . 1 1 81 81 PRO CB C 13 31.982 0.05 . . . . . . A 243 PRO CB . 30632 1 795 . 1 1 81 81 PRO CG C 13 27.098 0.07 . . . . . . A 243 PRO CG . 30632 1 796 . 1 1 81 81 PRO CD C 13 49.502 0.01 . . . . . . A 243 PRO CD . 30632 1 797 . 1 1 82 82 ALA H H 1 8.604 0.00 . . . . . . A 244 ALA H . 30632 1 798 . 1 1 82 82 ALA HA H 1 4.597 0.00 . . . . . . A 244 ALA HA . 30632 1 799 . 1 1 82 82 ALA HB1 H 1 1.322 0.00 . . . . . . A 244 ALA HB1 . 30632 1 800 . 1 1 82 82 ALA HB2 H 1 1.322 0.00 . . . . . . A 244 ALA HB2 . 30632 1 801 . 1 1 82 82 ALA HB3 H 1 1.322 0.00 . . . . . . A 244 ALA HB3 . 30632 1 802 . 1 1 82 82 ALA C C 13 173.900 0.00 . . . . . . A 244 ALA C . 30632 1 803 . 1 1 82 82 ALA CA C 13 51.205 0.05 . . . . . . A 244 ALA CA . 30632 1 804 . 1 1 82 82 ALA CB C 13 18.935 0.03 . . . . . . A 244 ALA CB . 30632 1 805 . 1 1 82 82 ALA N N 15 120.058 0.03 . . . . . . A 244 ALA N . 30632 1 806 . 1 1 83 83 GLY H H 1 7.514 0.00 . . . . . . A 245 GLY H . 30632 1 807 . 1 1 83 83 GLY HA3 H 1 4.424 0.00 . . . . . . A 245 GLY HA3 . 30632 1 808 . 1 1 83 83 GLY CA C 13 44.174 0.06 . . . . . . A 245 GLY CA . 30632 1 809 . 1 1 83 83 GLY N N 15 107.994 0.03 . . . . . . A 245 GLY N . 30632 1 810 . 1 1 84 84 ARG H H 1 8.511 0.00 . . . . . . A 246 ARG H . 30632 1 811 . 1 1 84 84 ARG HA H 1 4.693 0.00 . . . . . . A 246 ARG HA . 30632 1 812 . 1 1 84 84 ARG HB3 H 1 1.581 0.01 . . . . . . A 246 ARG HB3 . 30632 1 813 . 1 1 84 84 ARG HG2 H 1 1.298 0.00 . . . . . . A 246 ARG HG2 . 30632 1 814 . 1 1 84 84 ARG C C 13 175.655 0.00 . . . . . . A 246 ARG C . 30632 1 815 . 1 1 84 84 ARG CA C 13 55.927 0.06 . . . . . . A 246 ARG CA . 30632 1 816 . 1 1 84 84 ARG CB C 13 32.596 0.10 . . . . . . A 246 ARG CB . 30632 1 817 . 1 1 84 84 ARG CG C 13 28.030 0.08 . . . . . . A 246 ARG CG . 30632 1 818 . 1 1 84 84 ARG CD C 13 43.329 0.05 . . . . . . A 246 ARG CD . 30632 1 819 . 1 1 84 84 ARG N N 15 120.149 0.03 . . . . . . A 246 ARG N . 30632 1 820 . 1 1 85 85 GLY H H 1 8.189 0.01 . . . . . . A 247 GLY H . 30632 1 821 . 1 1 85 85 GLY HA3 H 1 4.288 0.00 . . . . . . A 247 GLY HA3 . 30632 1 822 . 1 1 85 85 GLY C C 13 169.854 0.00 . . . . . . A 247 GLY C . 30632 1 823 . 1 1 85 85 GLY CA C 13 44.110 0.07 . . . . . . A 247 GLY CA . 30632 1 824 . 1 1 85 85 GLY N N 15 107.820 0.02 . . . . . . A 247 GLY N . 30632 1 825 . 1 1 86 86 ASP H H 1 9.175 0.00 . . . . . . A 248 ASP H . 30632 1 826 . 1 1 86 86 ASP HA H 1 4.909 0.01 . . . . . . A 248 ASP HA . 30632 1 827 . 1 1 86 86 ASP HB2 H 1 1.803 0.00 . . . . . . A 248 ASP HB2 . 30632 1 828 . 1 1 86 86 ASP HB3 H 1 2.280 0.00 . . . . . . A 248 ASP HB3 . 30632 1 829 . 1 1 86 86 ASP C C 13 170.355 0.00 . . . . . . A 248 ASP C . 30632 1 830 . 1 1 86 86 ASP CA C 13 53.819 0.10 . . . . . . A 248 ASP CA . 30632 1 831 . 1 1 86 86 ASP CB C 13 43.949 0.06 . . . . . . A 248 ASP CB . 30632 1 832 . 1 1 86 86 ASP N N 15 119.303 0.03 . . . . . . A 248 ASP N . 30632 1 833 . 1 1 87 87 LEU H H 1 7.647 0.00 . . . . . . A 249 LEU H . 30632 1 834 . 1 1 87 87 LEU HA H 1 4.887 0.00 . . . . . . A 249 LEU HA . 30632 1 835 . 1 1 87 87 LEU HB2 H 1 1.003 0.00 . . . . . . A 249 LEU HB2 . 30632 1 836 . 1 1 87 87 LEU HB3 H 1 1.651 0.01 . . . . . . A 249 LEU HB3 . 30632 1 837 . 1 1 87 87 LEU HG H 1 1.221 0.01 . . . . . . A 249 LEU HG . 30632 1 838 . 1 1 87 87 LEU HD11 H 1 0.872 0.00 . . . . . . A 249 LEU HD11 . 30632 1 839 . 1 1 87 87 LEU HD12 H 1 0.872 0.00 . . . . . . A 249 LEU HD12 . 30632 1 840 . 1 1 87 87 LEU HD13 H 1 0.872 0.00 . . . . . . A 249 LEU HD13 . 30632 1 841 . 1 1 87 87 LEU HD21 H 1 0.745 0.00 . . . . . . A 249 LEU HD21 . 30632 1 842 . 1 1 87 87 LEU HD22 H 1 0.745 0.00 . . . . . . A 249 LEU HD22 . 30632 1 843 . 1 1 87 87 LEU HD23 H 1 0.745 0.00 . . . . . . A 249 LEU HD23 . 30632 1 844 . 1 1 87 87 LEU C C 13 170.892 0.00 . . . . . . A 249 LEU C . 30632 1 845 . 1 1 87 87 LEU CA C 13 52.851 0.06 . . . . . . A 249 LEU CA . 30632 1 846 . 1 1 87 87 LEU CB C 13 45.883 0.07 . . . . . . A 249 LEU CB . 30632 1 847 . 1 1 87 87 LEU CG C 13 27.845 0.04 . . . . . . A 249 LEU CG . 30632 1 848 . 1 1 87 87 LEU CD1 C 13 26.474 0.09 . . . . . . A 249 LEU CD1 . 30632 1 849 . 1 1 87 87 LEU CD2 C 13 23.360 0.05 . . . . . . A 249 LEU CD2 . 30632 1 850 . 1 1 87 87 LEU N N 15 121.336 0.02 . . . . . . A 249 LEU N . 30632 1 851 . 1 1 88 88 TYR H H 1 9.234 0.00 . . . . . . A 250 TYR H . 30632 1 852 . 1 1 88 88 TYR HA H 1 4.967 0.00 . . . . . . A 250 TYR HA . 30632 1 853 . 1 1 88 88 TYR HB2 H 1 2.383 0.00 . . . . . . A 250 TYR HB2 . 30632 1 854 . 1 1 88 88 TYR HB3 H 1 2.545 0.01 . . . . . . A 250 TYR HB3 . 30632 1 855 . 1 1 88 88 TYR HD1 H 1 6.579 0.00 . . . . . . A 250 TYR HD1 . 30632 1 856 . 1 1 88 88 TYR HD2 H 1 6.575 0.00 . . . . . . A 250 TYR HD2 . 30632 1 857 . 1 1 88 88 TYR HE1 H 1 6.698 0.00 . . . . . . A 250 TYR HE1 . 30632 1 858 . 1 1 88 88 TYR HE2 H 1 6.699 0.00 . . . . . . A 250 TYR HE2 . 30632 1 859 . 1 1 88 88 TYR C C 13 171.975 0.00 . . . . . . A 250 TYR C . 30632 1 860 . 1 1 88 88 TYR CA C 13 57.009 0.04 . . . . . . A 250 TYR CA . 30632 1 861 . 1 1 88 88 TYR CB C 13 40.986 0.08 . . . . . . A 250 TYR CB . 30632 1 862 . 1 1 88 88 TYR CD1 C 13 132.857 0.00 . . . . . . A 250 TYR CD1 . 30632 1 863 . 1 1 88 88 TYR CD2 C 13 132.886 0.00 . . . . . . A 250 TYR CD2 . 30632 1 864 . 1 1 88 88 TYR CE1 C 13 117.580 0.00 . . . . . . A 250 TYR CE1 . 30632 1 865 . 1 1 88 88 TYR CE2 C 13 117.601 0.00 . . . . . . A 250 TYR CE2 . 30632 1 866 . 1 1 88 88 TYR N N 15 125.777 0.04 . . . . . . A 250 TYR N . 30632 1 867 . 1 1 89 89 LEU H H 1 9.044 0.00 . . . . . . A 251 LEU H . 30632 1 868 . 1 1 89 89 LEU HA H 1 5.041 0.00 . . . . . . A 251 LEU HA . 30632 1 869 . 1 1 89 89 LEU HB2 H 1 1.191 0.00 . . . . . . A 251 LEU HB2 . 30632 1 870 . 1 1 89 89 LEU HB3 H 1 1.714 0.00 . . . . . . A 251 LEU HB3 . 30632 1 871 . 1 1 89 89 LEU HG H 1 1.430 0.00 . . . . . . A 251 LEU HG . 30632 1 872 . 1 1 89 89 LEU HD11 H 1 0.749 0.00 . . . . . . A 251 LEU HD11 . 30632 1 873 . 1 1 89 89 LEU HD12 H 1 0.749 0.00 . . . . . . A 251 LEU HD12 . 30632 1 874 . 1 1 89 89 LEU HD13 H 1 0.749 0.00 . . . . . . A 251 LEU HD13 . 30632 1 875 . 1 1 89 89 LEU HD21 H 1 0.773 0.00 . . . . . . A 251 LEU HD21 . 30632 1 876 . 1 1 89 89 LEU HD22 H 1 0.773 0.00 . . . . . . A 251 LEU HD22 . 30632 1 877 . 1 1 89 89 LEU HD23 H 1 0.773 0.00 . . . . . . A 251 LEU HD23 . 30632 1 878 . 1 1 89 89 LEU CA C 13 51.914 0.07 . . . . . . A 251 LEU CA . 30632 1 879 . 1 1 89 89 LEU CB C 13 43.808 0.04 . . . . . . A 251 LEU CB . 30632 1 880 . 1 1 89 89 LEU CG C 13 26.981 0.27 . . . . . . A 251 LEU CG . 30632 1 881 . 1 1 89 89 LEU CD1 C 13 27.400 0.01 . . . . . . A 251 LEU CD1 . 30632 1 882 . 1 1 89 89 LEU CD2 C 13 24.253 0.05 . . . . . . A 251 LEU CD2 . 30632 1 883 . 1 1 89 89 LEU N N 15 122.398 0.05 . . . . . . A 251 LEU N . 30632 1 884 . 1 1 90 90 GLU H H 1 9.081 0.00 . . . . . . A 252 GLU H . 30632 1 885 . 1 1 90 90 GLU HA H 1 4.760 0.00 . . . . . . A 252 GLU HA . 30632 1 886 . 1 1 90 90 GLU HB3 H 1 1.983 0.00 . . . . . . A 252 GLU HB3 . 30632 1 887 . 1 1 90 90 GLU HG2 H 1 2.048 0.00 . . . . . . A 252 GLU HG2 . 30632 1 888 . 1 1 90 90 GLU HG3 H 1 1.931 0.00 . . . . . . A 252 GLU HG3 . 30632 1 889 . 1 1 90 90 GLU C C 13 173.256 0.00 . . . . . . A 252 GLU C . 30632 1 890 . 1 1 90 90 GLU CA C 13 55.094 0.10 . . . . . . A 252 GLU CA . 30632 1 891 . 1 1 90 90 GLU CB C 13 31.337 0.18 . . . . . . A 252 GLU CB . 30632 1 892 . 1 1 90 90 GLU CG C 13 37.081 0.06 . . . . . . A 252 GLU CG . 30632 1 893 . 1 1 90 90 GLU N N 15 124.736 0.04 . . . . . . A 252 GLU N . 30632 1 894 . 1 1 91 91 VAL H H 1 8.985 0.00 . . . . . . A 253 VAL H . 30632 1 895 . 1 1 91 91 VAL HA H 1 4.256 0.00 . . . . . . A 253 VAL HA . 30632 1 896 . 1 1 91 91 VAL HB H 1 2.114 0.01 . . . . . . A 253 VAL HB . 30632 1 897 . 1 1 91 91 VAL HG11 H 1 0.972 0.00 . . . . . . A 253 VAL HG11 . 30632 1 898 . 1 1 91 91 VAL HG12 H 1 0.972 0.00 . . . . . . A 253 VAL HG12 . 30632 1 899 . 1 1 91 91 VAL HG13 H 1 0.972 0.00 . . . . . . A 253 VAL HG13 . 30632 1 900 . 1 1 91 91 VAL HG21 H 1 0.685 0.00 . . . . . . A 253 VAL HG21 . 30632 1 901 . 1 1 91 91 VAL HG22 H 1 0.685 0.00 . . . . . . A 253 VAL HG22 . 30632 1 902 . 1 1 91 91 VAL HG23 H 1 0.685 0.00 . . . . . . A 253 VAL HG23 . 30632 1 903 . 1 1 91 91 VAL C C 13 173.461 0.00 . . . . . . A 253 VAL C . 30632 1 904 . 1 1 91 91 VAL CA C 13 64.741 0.04 . . . . . . A 253 VAL CA . 30632 1 905 . 1 1 91 91 VAL CB C 13 32.312 0.07 . . . . . . A 253 VAL CB . 30632 1 906 . 1 1 91 91 VAL CG1 C 13 22.283 0.11 . . . . . . A 253 VAL CG1 . 30632 1 907 . 1 1 91 91 VAL CG2 C 13 21.232 0.07 . . . . . . A 253 VAL CG2 . 30632 1 908 . 1 1 91 91 VAL N N 15 128.294 0.03 . . . . . . A 253 VAL N . 30632 1 909 . 1 1 92 92 ARG H H 1 9.364 0.00 . . . . . . A 254 ARG H . 30632 1 910 . 1 1 92 92 ARG HA H 1 4.539 0.00 . . . . . . A 254 ARG HA . 30632 1 911 . 1 1 92 92 ARG HB2 H 1 1.911 0.00 . . . . . . A 254 ARG HB2 . 30632 1 912 . 1 1 92 92 ARG HB3 H 1 1.716 0.00 . . . . . . A 254 ARG HB3 . 30632 1 913 . 1 1 92 92 ARG HG2 H 1 1.402 0.01 . . . . . . A 254 ARG HG2 . 30632 1 914 . 1 1 92 92 ARG HG3 H 1 1.631 0.01 . . . . . . A 254 ARG HG3 . 30632 1 915 . 1 1 92 92 ARG HD3 H 1 3.187 0.00 . . . . . . A 254 ARG HD3 . 30632 1 916 . 1 1 92 92 ARG C C 13 171.153 0.00 . . . . . . A 254 ARG C . 30632 1 917 . 1 1 92 92 ARG CA C 13 55.078 0.04 . . . . . . A 254 ARG CA . 30632 1 918 . 1 1 92 92 ARG CB C 13 32.394 0.08 . . . . . . A 254 ARG CB . 30632 1 919 . 1 1 92 92 ARG CG C 13 27.051 0.09 . . . . . . A 254 ARG CG . 30632 1 920 . 1 1 92 92 ARG CD C 13 43.663 0.02 . . . . . . A 254 ARG CD . 30632 1 921 . 1 1 92 92 ARG N N 15 133.732 0.04 . . . . . . A 254 ARG N . 30632 1 922 . 1 1 93 93 ILE H H 1 8.373 0.00 . . . . . . A 255 ILE H . 30632 1 923 . 1 1 93 93 ILE HA H 1 5.020 0.00 . . . . . . A 255 ILE HA . 30632 1 924 . 1 1 93 93 ILE HB H 1 1.901 0.00 . . . . . . A 255 ILE HB . 30632 1 925 . 1 1 93 93 ILE HG12 H 1 1.486 0.00 . . . . . . A 255 ILE HG12 . 30632 1 926 . 1 1 93 93 ILE HG13 H 1 1.139 0.00 . . . . . . A 255 ILE HG13 . 30632 1 927 . 1 1 93 93 ILE HG21 H 1 0.979 0.00 . . . . . . A 255 ILE HG21 . 30632 1 928 . 1 1 93 93 ILE HG22 H 1 0.979 0.00 . . . . . . A 255 ILE HG22 . 30632 1 929 . 1 1 93 93 ILE HG23 H 1 0.979 0.00 . . . . . . A 255 ILE HG23 . 30632 1 930 . 1 1 93 93 ILE HD11 H 1 0.621 0.00 . . . . . . A 255 ILE HD11 . 30632 1 931 . 1 1 93 93 ILE HD12 H 1 0.621 0.00 . . . . . . A 255 ILE HD12 . 30632 1 932 . 1 1 93 93 ILE HD13 H 1 0.621 0.00 . . . . . . A 255 ILE HD13 . 30632 1 933 . 1 1 93 93 ILE C C 13 174.173 0.00 . . . . . . A 255 ILE C . 30632 1 934 . 1 1 93 93 ILE CA C 13 59.173 0.04 . . . . . . A 255 ILE CA . 30632 1 935 . 1 1 93 93 ILE CB C 13 36.729 0.07 . . . . . . A 255 ILE CB . 30632 1 936 . 1 1 93 93 ILE CG1 C 13 27.481 0.04 . . . . . . A 255 ILE CG1 . 30632 1 937 . 1 1 93 93 ILE CG2 C 13 17.294 0.06 . . . . . . A 255 ILE CG2 . 30632 1 938 . 1 1 93 93 ILE CD1 C 13 11.148 0.03 . . . . . . A 255 ILE CD1 . 30632 1 939 . 1 1 93 93 ILE N N 15 126.025 0.04 . . . . . . A 255 ILE N . 30632 1 940 . 1 1 94 94 THR H H 1 8.409 0.00 . . . . . . A 256 THR H . 30632 1 941 . 1 1 94 94 THR HA H 1 4.296 0.00 . . . . . . A 256 THR HA . 30632 1 942 . 1 1 94 94 THR HB H 1 4.309 0.00 . . . . . . A 256 THR HB . 30632 1 943 . 1 1 94 94 THR HG21 H 1 0.945 0.00 . . . . . . A 256 THR HG21 . 30632 1 944 . 1 1 94 94 THR HG22 H 1 0.945 0.00 . . . . . . A 256 THR HG22 . 30632 1 945 . 1 1 94 94 THR HG23 H 1 0.945 0.00 . . . . . . A 256 THR HG23 . 30632 1 946 . 1 1 94 94 THR CA C 13 62.139 0.05 . . . . . . A 256 THR CA . 30632 1 947 . 1 1 94 94 THR CB C 13 70.335 0.05 . . . . . . A 256 THR CB . 30632 1 948 . 1 1 94 94 THR CG2 C 13 22.239 0.07 . . . . . . A 256 THR CG2 . 30632 1 949 . 1 1 94 94 THR N N 15 127.015 0.03 . . . . . . A 256 THR N . 30632 1 stop_ save_