data_30629 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30629 _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' 30629 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. . . . 30629 2 P. Rossi P. . . . 30629 3 C. Kalodimos C. G. . . 30629 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 30629 'Client Recognition' . 30629 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30629 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 30629 '15N chemical shifts' 65 30629 '1H chemical shifts' 477 30629 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 . 30629 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6PQE . 30629 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30629 _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. . . . 30629 1 2 P. Rossi P. . . . 30629 1 3 C. Kalodimos C. G. . . 30629 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30629 _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 . . . . . . 30629 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30629 _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 ; METATAGEWQGKGSGGSGGS GGSQDLYATLDVPAPIAVVG GKVRAMTLEGPVEVAVPPRT QAGRKLRLKGKGFPGPAGRG DLYLEVRIT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.1.3.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9017.255 _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 30629 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 168 MET . 30629 1 2 169 GLU . 30629 1 3 170 THR . 30629 1 4 171 ALA . 30629 1 5 172 THR . 30629 1 6 173 ALA . 30629 1 7 174 GLY . 30629 1 8 175 GLU . 30629 1 9 176 TRP . 30629 1 10 177 GLN . 30629 1 11 178 GLY . 30629 1 12 179 LYS . 30629 1 13 180 GLY . 30629 1 14 181 SER . 30629 1 15 182 GLY . 30629 1 16 183 GLY . 30629 1 17 184 SER . 30629 1 18 185 GLY . 30629 1 19 186 GLY . 30629 1 20 187 SER . 30629 1 21 188 GLY . 30629 1 22 189 GLY . 30629 1 23 190 SER . 30629 1 24 191 GLN . 30629 1 25 192 ASP . 30629 1 26 193 LEU . 30629 1 27 194 TYR . 30629 1 28 195 ALA . 30629 1 29 196 THR . 30629 1 30 197 LEU . 30629 1 31 198 ASP . 30629 1 32 199 VAL . 30629 1 33 200 PRO . 30629 1 34 201 ALA . 30629 1 35 202 PRO . 30629 1 36 203 ILE . 30629 1 37 204 ALA . 30629 1 38 205 VAL . 30629 1 39 206 VAL . 30629 1 40 207 GLY . 30629 1 41 208 GLY . 30629 1 42 209 LYS . 30629 1 43 210 VAL . 30629 1 44 211 ARG . 30629 1 45 212 ALA . 30629 1 46 213 MET . 30629 1 47 214 THR . 30629 1 48 215 LEU . 30629 1 49 216 GLU . 30629 1 50 217 GLY . 30629 1 51 218 PRO . 30629 1 52 219 VAL . 30629 1 53 220 GLU . 30629 1 54 221 VAL . 30629 1 55 222 ALA . 30629 1 56 223 VAL . 30629 1 57 224 PRO . 30629 1 58 225 PRO . 30629 1 59 226 ARG . 30629 1 60 227 THR . 30629 1 61 228 GLN . 30629 1 62 229 ALA . 30629 1 63 230 GLY . 30629 1 64 231 ARG . 30629 1 65 232 LYS . 30629 1 66 233 LEU . 30629 1 67 234 ARG . 30629 1 68 235 LEU . 30629 1 69 236 LYS . 30629 1 70 237 GLY . 30629 1 71 238 LYS . 30629 1 72 239 GLY . 30629 1 73 240 PHE . 30629 1 74 241 PRO . 30629 1 75 242 GLY . 30629 1 76 243 PRO . 30629 1 77 244 ALA . 30629 1 78 245 GLY . 30629 1 79 246 ARG . 30629 1 80 247 GLY . 30629 1 81 248 ASP . 30629 1 82 249 LEU . 30629 1 83 250 TYR . 30629 1 84 251 LEU . 30629 1 85 252 GLU . 30629 1 86 253 VAL . 30629 1 87 254 ARG . 30629 1 88 255 ILE . 30629 1 89 256 THR . 30629 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 30629 1 . GLU 2 2 30629 1 . THR 3 3 30629 1 . ALA 4 4 30629 1 . THR 5 5 30629 1 . ALA 6 6 30629 1 . GLY 7 7 30629 1 . GLU 8 8 30629 1 . TRP 9 9 30629 1 . GLN 10 10 30629 1 . GLY 11 11 30629 1 . LYS 12 12 30629 1 . GLY 13 13 30629 1 . SER 14 14 30629 1 . GLY 15 15 30629 1 . GLY 16 16 30629 1 . SER 17 17 30629 1 . GLY 18 18 30629 1 . GLY 19 19 30629 1 . SER 20 20 30629 1 . GLY 21 21 30629 1 . GLY 22 22 30629 1 . SER 23 23 30629 1 . GLN 24 24 30629 1 . ASP 25 25 30629 1 . LEU 26 26 30629 1 . TYR 27 27 30629 1 . ALA 28 28 30629 1 . THR 29 29 30629 1 . LEU 30 30 30629 1 . ASP 31 31 30629 1 . VAL 32 32 30629 1 . PRO 33 33 30629 1 . ALA 34 34 30629 1 . PRO 35 35 30629 1 . ILE 36 36 30629 1 . ALA 37 37 30629 1 . VAL 38 38 30629 1 . VAL 39 39 30629 1 . GLY 40 40 30629 1 . GLY 41 41 30629 1 . LYS 42 42 30629 1 . VAL 43 43 30629 1 . ARG 44 44 30629 1 . ALA 45 45 30629 1 . MET 46 46 30629 1 . THR 47 47 30629 1 . LEU 48 48 30629 1 . GLU 49 49 30629 1 . GLY 50 50 30629 1 . PRO 51 51 30629 1 . VAL 52 52 30629 1 . GLU 53 53 30629 1 . VAL 54 54 30629 1 . ALA 55 55 30629 1 . VAL 56 56 30629 1 . PRO 57 57 30629 1 . PRO 58 58 30629 1 . ARG 59 59 30629 1 . THR 60 60 30629 1 . GLN 61 61 30629 1 . ALA 62 62 30629 1 . GLY 63 63 30629 1 . ARG 64 64 30629 1 . LYS 65 65 30629 1 . LEU 66 66 30629 1 . ARG 67 67 30629 1 . LEU 68 68 30629 1 . LYS 69 69 30629 1 . GLY 70 70 30629 1 . LYS 71 71 30629 1 . GLY 72 72 30629 1 . PHE 73 73 30629 1 . PRO 74 74 30629 1 . GLY 75 75 30629 1 . PRO 76 76 30629 1 . ALA 77 77 30629 1 . GLY 78 78 30629 1 . ARG 79 79 30629 1 . GLY 80 80 30629 1 . ASP 81 81 30629 1 . LEU 82 82 30629 1 . TYR 83 83 30629 1 . LEU 84 84 30629 1 . GLU 85 85 30629 1 . VAL 86 86 30629 1 . ARG 87 87 30629 1 . ILE 88 88 30629 1 . THR 89 89 30629 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 30629 _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' . 30629 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' . 30629 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 30629 _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) . . . . . . . . . 30629 1 2 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . BL21(DE3) . . . . . . . . . 30629 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30629 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-13C; U-15N] PhoA_235-245_DnaJ_191-256, 20 mM potassium phosphate, 75 mM potassium chloride, 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_235-245_DnaJ_191-256 '[U-13C; U-15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30629 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30629 1 3 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30629 1 4 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 30629 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 30629 _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 30629 1 pH 7.0 . pH 30629 1 pressure 1 . atm 30629 1 temperature 298 . K 30629 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30629 _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' . . 30629 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30629 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30629 _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' . . 30629 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30629 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30629 _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' . . 30629 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30629 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30629 _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 . . 30629 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30629 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30629 _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' . . 30629 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30629 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30629 _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' . . 30629 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30629 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30629 _Software.ID 7 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30629 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 30629 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30629 _Software.ID 8 _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' . . 30629 8 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30629 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30629 _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 30629 _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 . . . 30629 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 30629 _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-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30629 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30629 1 3 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30629 1 4 '3D CCH-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30629 1 5 '3D CCH_TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30629 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30629 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30629 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30629 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30629 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30629 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 30629 _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 . . . . . 30629 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30629 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30629 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 30629 _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-13C HSQC' . . . 30629 1 2 '3D HNCO' . . . 30629 1 3 '3D HBHA(CO)NH' . . . 30629 1 4 '3D CCH-NOESY' . . . 30629 1 5 '3D CCH_TOCSY' . . . 30629 1 6 '3D H(CCO)NH' . . . 30629 1 7 '3D HNCACB' . . . 30629 1 8 '3D 1H-15N NOESY' . . . 30629 1 9 '3D 1H-13C NOESY' . . . 30629 1 10 '2D 1H-15N HSQC' . . . 30629 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 H H 1 8.458 0.00 . . . . . . A 168 MET H1 . 30629 1 2 . 1 1 1 1 MET C C 13 175.995 0.00 . . . . . . A 168 MET C . 30629 1 3 . 1 1 1 1 MET CA C 13 55.686 0.00 . . . . . . A 168 MET CA . 30629 1 4 . 1 1 1 1 MET CB C 13 32.713 0.00 . . . . . . A 168 MET CB . 30629 1 5 . 1 1 1 1 MET N N 15 122.097 0.00 . . . . . . A 168 MET N . 30629 1 6 . 1 1 2 2 GLU H H 1 8.538 0.00 . . . . . . A 169 GLU H . 30629 1 7 . 1 1 2 2 GLU HA H 1 4.323 0.00 . . . . . . A 169 GLU HA . 30629 1 8 . 1 1 2 2 GLU HB2 H 1 2.053 0.00 . . . . . . A 169 GLU HB2 . 30629 1 9 . 1 1 2 2 GLU HB3 H 1 1.955 0.00 . . . . . . A 169 GLU HB3 . 30629 1 10 . 1 1 2 2 GLU HG3 H 1 2.267 0.00 . . . . . . A 169 GLU HG3 . 30629 1 11 . 1 1 2 2 GLU C C 13 176.653 0.00 . . . . . . A 169 GLU C . 30629 1 12 . 1 1 2 2 GLU CA C 13 56.825 0.04 . . . . . . A 169 GLU CA . 30629 1 13 . 1 1 2 2 GLU CB C 13 30.201 0.04 . . . . . . A 169 GLU CB . 30629 1 14 . 1 1 2 2 GLU CG C 13 36.325 0.02 . . . . . . A 169 GLU CG . 30629 1 15 . 1 1 2 2 GLU N N 15 122.607 0.00 . . . . . . A 169 GLU N . 30629 1 16 . 1 1 3 3 THR H H 1 8.201 0.00 . . . . . . A 170 THR H . 30629 1 17 . 1 1 3 3 THR HA H 1 4.318 0.00 . . . . . . A 170 THR HA . 30629 1 18 . 1 1 3 3 THR HB H 1 4.207 0.00 . . . . . . A 170 THR HB . 30629 1 19 . 1 1 3 3 THR HG21 H 1 1.189 0.00 . . . . . . A 170 THR HG21 . 30629 1 20 . 1 1 3 3 THR HG22 H 1 1.189 0.00 . . . . . . A 170 THR HG22 . 30629 1 21 . 1 1 3 3 THR HG23 H 1 1.189 0.00 . . . . . . A 170 THR HG23 . 30629 1 22 . 1 1 3 3 THR C C 13 174.405 0.00 . . . . . . A 170 THR C . 30629 1 23 . 1 1 3 3 THR CA C 13 61.909 0.06 . . . . . . A 170 THR CA . 30629 1 24 . 1 1 3 3 THR CB C 13 69.895 0.08 . . . . . . A 170 THR CB . 30629 1 25 . 1 1 3 3 THR CG2 C 13 21.691 0.04 . . . . . . A 170 THR CG2 . 30629 1 26 . 1 1 3 3 THR N N 15 115.318 0.02 . . . . . . A 170 THR N . 30629 1 27 . 1 1 4 4 ALA H H 1 8.398 0.00 . . . . . . A 171 ALA H . 30629 1 28 . 1 1 4 4 ALA HA H 1 4.397 0.00 . . . . . . A 171 ALA HA . 30629 1 29 . 1 1 4 4 ALA HB1 H 1 1.392 0.00 . . . . . . A 171 ALA HB1 . 30629 1 30 . 1 1 4 4 ALA HB2 H 1 1.392 0.00 . . . . . . A 171 ALA HB2 . 30629 1 31 . 1 1 4 4 ALA HB3 H 1 1.392 0.00 . . . . . . A 171 ALA HB3 . 30629 1 32 . 1 1 4 4 ALA C C 13 177.882 0.00 . . . . . . A 171 ALA C . 30629 1 33 . 1 1 4 4 ALA CA C 13 52.736 0.02 . . . . . . A 171 ALA CA . 30629 1 34 . 1 1 4 4 ALA CB C 13 19.303 0.04 . . . . . . A 171 ALA CB . 30629 1 35 . 1 1 4 4 ALA N N 15 126.648 0.01 . . . . . . A 171 ALA N . 30629 1 36 . 1 1 5 5 THR H H 1 8.171 0.00 . . . . . . A 172 THR H . 30629 1 37 . 1 1 5 5 THR HA H 1 4.312 0.00 . . . . . . A 172 THR HA . 30629 1 38 . 1 1 5 5 THR HB H 1 4.210 0.00 . . . . . . A 172 THR HB . 30629 1 39 . 1 1 5 5 THR HG21 H 1 1.188 0.00 . . . . . . A 172 THR HG21 . 30629 1 40 . 1 1 5 5 THR HG22 H 1 1.188 0.00 . . . . . . A 172 THR HG22 . 30629 1 41 . 1 1 5 5 THR HG23 H 1 1.188 0.00 . . . . . . A 172 THR HG23 . 30629 1 42 . 1 1 5 5 THR C C 13 174.280 0.00 . . . . . . A 172 THR C . 30629 1 43 . 1 1 5 5 THR CA C 13 61.925 0.01 . . . . . . A 172 THR CA . 30629 1 44 . 1 1 5 5 THR CB C 13 69.865 0.04 . . . . . . A 172 THR CB . 30629 1 45 . 1 1 5 5 THR CG2 C 13 21.654 0.05 . . . . . . A 172 THR CG2 . 30629 1 46 . 1 1 5 5 THR N N 15 113.777 0.02 . . . . . . A 172 THR N . 30629 1 47 . 1 1 6 6 ALA H H 1 8.341 0.00 . . . . . . A 173 ALA H . 30629 1 48 . 1 1 6 6 ALA HA H 1 4.346 0.00 . . . . . . A 173 ALA HA . 30629 1 49 . 1 1 6 6 ALA HB1 H 1 1.402 0.01 . . . . . . A 173 ALA HB1 . 30629 1 50 . 1 1 6 6 ALA HB2 H 1 1.402 0.01 . . . . . . A 173 ALA HB2 . 30629 1 51 . 1 1 6 6 ALA HB3 H 1 1.402 0.01 . . . . . . A 173 ALA HB3 . 30629 1 52 . 1 1 6 6 ALA C C 13 177.923 0.00 . . . . . . A 173 ALA C . 30629 1 53 . 1 1 6 6 ALA CA C 13 52.712 0.06 . . . . . . A 173 ALA CA . 30629 1 54 . 1 1 6 6 ALA CB C 13 19.341 0.04 . . . . . . A 173 ALA CB . 30629 1 55 . 1 1 6 6 ALA N N 15 126.493 0.02 . . . . . . A 173 ALA N . 30629 1 56 . 1 1 7 7 GLY H H 1 8.263 0.00 . . . . . . A 174 GLY H . 30629 1 57 . 1 1 7 7 GLY HA2 H 1 3.795 0.00 . . . . . . A 174 GLY HA2 . 30629 1 58 . 1 1 7 7 GLY HA3 H 1 3.995 0.01 . . . . . . A 174 GLY HA3 . 30629 1 59 . 1 1 7 7 GLY C C 13 173.739 0.00 . . . . . . A 174 GLY C . 30629 1 60 . 1 1 7 7 GLY CA C 13 45.277 0.00 . . . . . . A 174 GLY CA . 30629 1 61 . 1 1 7 7 GLY N N 15 107.656 0.02 . . . . . . A 174 GLY N . 30629 1 62 . 1 1 8 8 GLU H H 1 8.232 0.00 . . . . . . A 175 GLU H . 30629 1 63 . 1 1 8 8 GLU HA H 1 4.361 0.00 . . . . . . A 175 GLU HA . 30629 1 64 . 1 1 8 8 GLU HB2 H 1 1.972 0.00 . . . . . . A 175 GLU HB2 . 30629 1 65 . 1 1 8 8 GLU HB3 H 1 1.882 0.00 . . . . . . A 175 GLU HB3 . 30629 1 66 . 1 1 8 8 GLU HG2 H 1 2.126 0.00 . . . . . . A 175 GLU HG2 . 30629 1 67 . 1 1 8 8 GLU HG3 H 1 2.192 0.00 . . . . . . A 175 GLU HG3 . 30629 1 68 . 1 1 8 8 GLU CA C 13 56.412 0.07 . . . . . . A 175 GLU CA . 30629 1 69 . 1 1 8 8 GLU CB C 13 30.974 0.12 . . . . . . A 175 GLU CB . 30629 1 70 . 1 1 8 8 GLU CG C 13 36.100 0.06 . . . . . . A 175 GLU CG . 30629 1 71 . 1 1 8 8 GLU N N 15 120.614 0.03 . . . . . . A 175 GLU N . 30629 1 72 . 1 1 9 9 TRP HA H 1 4.706 0.01 . . . . . . A 176 TRP HA . 30629 1 73 . 1 1 9 9 TRP HB2 H 1 3.224 0.01 . . . . . . A 176 TRP HB2 . 30629 1 74 . 1 1 9 9 TRP HB3 H 1 3.263 0.00 . . . . . . A 176 TRP HB3 . 30629 1 75 . 1 1 9 9 TRP HD1 H 1 7.278 0.00 . . . . . . A 176 TRP HD1 . 30629 1 76 . 1 1 9 9 TRP HE1 H 1 10.183 0.00 . . . . . . A 176 TRP HE1 . 30629 1 77 . 1 1 9 9 TRP HE3 H 1 7.558 0.00 . . . . . . A 176 TRP HE3 . 30629 1 78 . 1 1 9 9 TRP HZ2 H 1 7.442 0.01 . . . . . . A 176 TRP HZ2 . 30629 1 79 . 1 1 9 9 TRP HZ3 H 1 7.022 0.00 . . . . . . A 176 TRP HZ3 . 30629 1 80 . 1 1 9 9 TRP HH2 H 1 7.072 0.00 . . . . . . A 176 TRP HH2 . 30629 1 81 . 1 1 9 9 TRP CA C 13 57.668 0.00 . . . . . . A 176 TRP CA . 30629 1 82 . 1 1 9 9 TRP CB C 13 29.331 0.03 . . . . . . A 176 TRP CB . 30629 1 83 . 1 1 9 9 TRP CD1 C 13 127.410 0.00 . . . . . . A 176 TRP CD1 . 30629 1 84 . 1 1 9 9 TRP CE3 C 13 120.786 0.00 . . . . . . A 176 TRP CE3 . 30629 1 85 . 1 1 9 9 TRP CZ2 C 13 114.716 0.00 . . . . . . A 176 TRP CZ2 . 30629 1 86 . 1 1 9 9 TRP CZ3 C 13 121.953 0.00 . . . . . . A 176 TRP CZ3 . 30629 1 87 . 1 1 9 9 TRP CH2 C 13 124.244 0.00 . . . . . . A 176 TRP CH2 . 30629 1 88 . 1 1 9 9 TRP NE1 N 15 129.743 0.01 . . . . . . A 176 TRP NE1 . 30629 1 89 . 1 1 10 10 GLN HA H 1 4.298 0.00 . . . . . . A 177 GLN HA . 30629 1 90 . 1 1 10 10 GLN HB2 H 1 1.913 0.00 . . . . . . A 177 GLN HB2 . 30629 1 91 . 1 1 10 10 GLN HB3 H 1 2.082 0.00 . . . . . . A 177 GLN HB3 . 30629 1 92 . 1 1 10 10 GLN HG2 H 1 2.182 0.00 . . . . . . A 177 GLN HG2 . 30629 1 93 . 1 1 10 10 GLN HG3 H 1 2.210 0.00 . . . . . . A 177 GLN HG3 . 30629 1 94 . 1 1 10 10 GLN HE21 H 1 7.367 0.00 . . . . . . A 177 GLN HE21 . 30629 1 95 . 1 1 10 10 GLN HE22 H 1 6.939 0.00 . . . . . . A 177 GLN HE22 . 30629 1 96 . 1 1 10 10 GLN CA C 13 55.695 0.08 . . . . . . A 177 GLN CA . 30629 1 97 . 1 1 10 10 GLN CB C 13 29.761 0.00 . . . . . . A 177 GLN CB . 30629 1 98 . 1 1 10 10 GLN CG C 13 33.800 0.02 . . . . . . A 177 GLN CG . 30629 1 99 . 1 1 10 10 GLN NE2 N 15 112.409 0.01 . . . . . . A 177 GLN NE2 . 30629 1 100 . 1 1 12 12 LYS HA H 1 4.277 0.00 . . . . . . A 179 LYS HA . 30629 1 101 . 1 1 12 12 LYS HB2 H 1 1.716 0.00 . . . . . . A 179 LYS HB2 . 30629 1 102 . 1 1 12 12 LYS HB3 H 1 1.821 0.00 . . . . . . A 179 LYS HB3 . 30629 1 103 . 1 1 12 12 LYS HG3 H 1 1.382 0.00 . . . . . . A 179 LYS HG3 . 30629 1 104 . 1 1 12 12 LYS HD3 H 1 1.638 0.00 . . . . . . A 179 LYS HD3 . 30629 1 105 . 1 1 12 12 LYS HE3 H 1 2.952 0.00 . . . . . . A 179 LYS HE3 . 30629 1 106 . 1 1 12 12 LYS C C 13 177.331 0.00 . . . . . . A 179 LYS C . 30629 1 107 . 1 1 12 12 LYS CA C 13 56.803 0.12 . . . . . . A 179 LYS CA . 30629 1 108 . 1 1 12 12 LYS CB C 13 32.991 0.03 . . . . . . A 179 LYS CB . 30629 1 109 . 1 1 12 12 LYS CG C 13 24.746 0.08 . . . . . . A 179 LYS CG . 30629 1 110 . 1 1 12 12 LYS CD C 13 29.116 0.04 . . . . . . A 179 LYS CD . 30629 1 111 . 1 1 12 12 LYS CE C 13 42.158 0.02 . . . . . . A 179 LYS CE . 30629 1 112 . 1 1 13 13 GLY H H 1 8.551 0.00 . . . . . . A 180 GLY H . 30629 1 113 . 1 1 13 13 GLY N N 15 110.525 0.01 . . . . . . A 180 GLY N . 30629 1 114 . 1 1 23 23 SER HA H 1 4.473 0.00 . . . . . . A 190 SER HA . 30629 1 115 . 1 1 23 23 SER HB3 H 1 3.963 0.00 . . . . . . A 190 SER HB3 . 30629 1 116 . 1 1 23 23 SER C C 13 175.026 0.00 . . . . . . A 190 SER C . 30629 1 117 . 1 1 24 24 GLN H H 1 8.712 0.00 . . . . . . A 191 GLN H . 30629 1 118 . 1 1 24 24 GLN HA H 1 4.635 0.00 . . . . . . A 191 GLN HA . 30629 1 119 . 1 1 24 24 GLN HB2 H 1 2.059 0.00 . . . . . . A 191 GLN HB2 . 30629 1 120 . 1 1 24 24 GLN HB3 H 1 2.484 0.00 . . . . . . A 191 GLN HB3 . 30629 1 121 . 1 1 24 24 GLN HG2 H 1 2.333 0.00 . . . . . . A 191 GLN HG2 . 30629 1 122 . 1 1 24 24 GLN HG3 H 1 2.420 0.00 . . . . . . A 191 GLN HG3 . 30629 1 123 . 1 1 24 24 GLN HE21 H 1 7.402 0.00 . . . . . . A 191 GLN HE21 . 30629 1 124 . 1 1 24 24 GLN HE22 H 1 6.828 0.00 . . . . . . A 191 GLN HE22 . 30629 1 125 . 1 1 24 24 GLN CA C 13 56.245 0.05 . . . . . . A 191 GLN CA . 30629 1 126 . 1 1 24 24 GLN CB C 13 29.247 0.06 . . . . . . A 191 GLN CB . 30629 1 127 . 1 1 24 24 GLN CG C 13 34.711 0.28 . . . . . . A 191 GLN CG . 30629 1 128 . 1 1 24 24 GLN N N 15 120.419 0.01 . . . . . . A 191 GLN N . 30629 1 129 . 1 1 24 24 GLN NE2 N 15 111.809 0.00 . . . . . . A 191 GLN NE2 . 30629 1 130 . 1 1 25 25 ASP H H 1 8.283 0.00 . . . . . . A 192 ASP H . 30629 1 131 . 1 1 25 25 ASP CA C 13 54.527 0.00 . . . . . . A 192 ASP CA . 30629 1 132 . 1 1 25 25 ASP CB C 13 41.112 0.00 . . . . . . A 192 ASP CB . 30629 1 133 . 1 1 25 25 ASP N N 15 121.283 0.00 . . . . . . A 192 ASP N . 30629 1 134 . 1 1 27 27 TYR HA H 1 5.479 0.00 . . . . . . A 194 TYR HA . 30629 1 135 . 1 1 27 27 TYR HB2 H 1 2.845 0.00 . . . . . . A 194 TYR HB2 . 30629 1 136 . 1 1 27 27 TYR HB3 H 1 3.014 0.00 . . . . . . A 194 TYR HB3 . 30629 1 137 . 1 1 27 27 TYR HD1 H 1 7.089 0.00 . . . . . . A 194 TYR HD1 . 30629 1 138 . 1 1 27 27 TYR HD2 H 1 7.087 0.00 . . . . . . A 194 TYR HD2 . 30629 1 139 . 1 1 27 27 TYR HE1 H 1 6.418 0.00 . . . . . . A 194 TYR HE1 . 30629 1 140 . 1 1 27 27 TYR HE2 H 1 6.425 0.00 . . . . . . A 194 TYR HE2 . 30629 1 141 . 1 1 27 27 TYR CA C 13 57.021 0.03 . . . . . . A 194 TYR CA . 30629 1 142 . 1 1 27 27 TYR CB C 13 40.612 0.07 . . . . . . A 194 TYR CB . 30629 1 143 . 1 1 27 27 TYR CD1 C 13 133.313 0.00 . . . . . . A 194 TYR CD1 . 30629 1 144 . 1 1 27 27 TYR CD2 C 13 133.209 0.00 . . . . . . A 194 TYR CD2 . 30629 1 145 . 1 1 27 27 TYR CE1 C 13 117.619 0.00 . . . . . . A 194 TYR CE1 . 30629 1 146 . 1 1 27 27 TYR CE2 C 13 117.581 0.00 . . . . . . A 194 TYR CE2 . 30629 1 147 . 1 1 28 28 ALA HA H 1 4.937 0.00 . . . . . . A 195 ALA HA . 30629 1 148 . 1 1 28 28 ALA HB1 H 1 1.548 0.00 . . . . . . A 195 ALA HB1 . 30629 1 149 . 1 1 28 28 ALA HB2 H 1 1.548 0.00 . . . . . . A 195 ALA HB2 . 30629 1 150 . 1 1 28 28 ALA HB3 H 1 1.548 0.00 . . . . . . A 195 ALA HB3 . 30629 1 151 . 1 1 28 28 ALA CA C 13 51.030 0.01 . . . . . . A 195 ALA CA . 30629 1 152 . 1 1 28 28 ALA CB C 13 22.932 0.06 . . . . . . A 195 ALA CB . 30629 1 153 . 1 1 29 29 THR HA H 1 4.977 0.00 . . . . . . A 196 THR HA . 30629 1 154 . 1 1 29 29 THR HB H 1 4.045 0.00 . . . . . . A 196 THR HB . 30629 1 155 . 1 1 29 29 THR HG21 H 1 1.208 0.00 . . . . . . A 196 THR HG21 . 30629 1 156 . 1 1 29 29 THR HG22 H 1 1.208 0.00 . . . . . . A 196 THR HG22 . 30629 1 157 . 1 1 29 29 THR HG23 H 1 1.208 0.00 . . . . . . A 196 THR HG23 . 30629 1 158 . 1 1 29 29 THR C C 13 172.934 0.00 . . . . . . A 196 THR C . 30629 1 159 . 1 1 29 29 THR CA C 13 62.184 0.03 . . . . . . A 196 THR CA . 30629 1 160 . 1 1 29 29 THR CB C 13 71.014 0.09 . . . . . . A 196 THR CB . 30629 1 161 . 1 1 29 29 THR CG2 C 13 22.562 0.05 . . . . . . A 196 THR CG2 . 30629 1 162 . 1 1 30 30 LEU H H 1 8.741 0.00 . . . . . . A 197 LEU H . 30629 1 163 . 1 1 30 30 LEU HA H 1 4.668 0.00 . . . . . . A 197 LEU HA . 30629 1 164 . 1 1 30 30 LEU HB2 H 1 1.595 0.00 . . . . . . A 197 LEU HB2 . 30629 1 165 . 1 1 30 30 LEU HB3 H 1 1.190 0.00 . . . . . . A 197 LEU HB3 . 30629 1 166 . 1 1 30 30 LEU HG H 1 1.284 0.00 . . . . . . A 197 LEU HG . 30629 1 167 . 1 1 30 30 LEU HD11 H 1 0.608 0.00 . . . . . . A 197 LEU HD11 . 30629 1 168 . 1 1 30 30 LEU HD12 H 1 0.608 0.00 . . . . . . A 197 LEU HD12 . 30629 1 169 . 1 1 30 30 LEU HD13 H 1 0.608 0.00 . . . . . . A 197 LEU HD13 . 30629 1 170 . 1 1 30 30 LEU HD21 H 1 0.911 0.00 . . . . . . A 197 LEU HD21 . 30629 1 171 . 1 1 30 30 LEU HD22 H 1 0.911 0.00 . . . . . . A 197 LEU HD22 . 30629 1 172 . 1 1 30 30 LEU HD23 H 1 0.911 0.00 . . . . . . A 197 LEU HD23 . 30629 1 173 . 1 1 30 30 LEU C C 13 173.631 0.00 . . . . . . A 197 LEU C . 30629 1 174 . 1 1 30 30 LEU CA C 13 53.109 0.06 . . . . . . A 197 LEU CA . 30629 1 175 . 1 1 30 30 LEU CB C 13 46.792 0.01 . . . . . . A 197 LEU CB . 30629 1 176 . 1 1 30 30 LEU CG C 13 26.792 0.00 . . . . . . A 197 LEU CG . 30629 1 177 . 1 1 30 30 LEU CD1 C 13 26.386 0.06 . . . . . . A 197 LEU CD1 . 30629 1 178 . 1 1 30 30 LEU CD2 C 13 23.762 0.06 . . . . . . A 197 LEU CD2 . 30629 1 179 . 1 1 30 30 LEU N N 15 126.919 0.01 . . . . . . A 197 LEU N . 30629 1 180 . 1 1 31 31 ASP H H 1 8.661 0.00 . . . . . . A 198 ASP H . 30629 1 181 . 1 1 31 31 ASP HA H 1 5.175 0.00 . . . . . . A 198 ASP HA . 30629 1 182 . 1 1 31 31 ASP HB2 H 1 2.514 0.00 . . . . . . A 198 ASP HB2 . 30629 1 183 . 1 1 31 31 ASP HB3 H 1 2.623 0.00 . . . . . . A 198 ASP HB3 . 30629 1 184 . 1 1 31 31 ASP C C 13 175.878 0.00 . . . . . . A 198 ASP C . 30629 1 185 . 1 1 31 31 ASP CA C 13 54.325 0.05 . . . . . . A 198 ASP CA . 30629 1 186 . 1 1 31 31 ASP CB C 13 40.765 0.06 . . . . . . A 198 ASP CB . 30629 1 187 . 1 1 31 31 ASP N N 15 129.731 0.01 . . . . . . A 198 ASP N . 30629 1 188 . 1 1 32 32 VAL H H 1 9.226 0.03 . . . . . . A 199 VAL H . 30629 1 189 . 1 1 32 32 VAL HA H 1 4.505 0.01 . . . . . . A 199 VAL HA . 30629 1 190 . 1 1 32 32 VAL HB H 1 1.928 0.00 . . . . . . A 199 VAL HB . 30629 1 191 . 1 1 32 32 VAL HG11 H 1 0.888 0.00 . . . . . . A 199 VAL HG11 . 30629 1 192 . 1 1 32 32 VAL HG12 H 1 0.888 0.00 . . . . . . A 199 VAL HG12 . 30629 1 193 . 1 1 32 32 VAL HG13 H 1 0.888 0.00 . . . . . . A 199 VAL HG13 . 30629 1 194 . 1 1 32 32 VAL HG21 H 1 0.807 0.00 . . . . . . A 199 VAL HG21 . 30629 1 195 . 1 1 32 32 VAL HG22 H 1 0.807 0.00 . . . . . . A 199 VAL HG22 . 30629 1 196 . 1 1 32 32 VAL HG23 H 1 0.807 0.00 . . . . . . A 199 VAL HG23 . 30629 1 197 . 1 1 32 32 VAL CA C 13 58.621 0.08 . . . . . . A 199 VAL CA . 30629 1 198 . 1 1 32 32 VAL CB C 13 34.808 0.12 . . . . . . A 199 VAL CB . 30629 1 199 . 1 1 32 32 VAL CG1 C 13 23.067 0.05 . . . . . . A 199 VAL CG1 . 30629 1 200 . 1 1 32 32 VAL CG2 C 13 21.877 0.03 . . . . . . A 199 VAL CG2 . 30629 1 201 . 1 1 32 32 VAL N N 15 124.767 0.04 . . . . . . A 199 VAL N . 30629 1 202 . 1 1 33 33 PRO HA H 1 4.670 0.00 . . . . . . A 200 PRO HA . 30629 1 203 . 1 1 33 33 PRO HB2 H 1 1.764 0.00 . . . . . . A 200 PRO HB2 . 30629 1 204 . 1 1 33 33 PRO HB3 H 1 2.477 0.00 . . . . . . A 200 PRO HB3 . 30629 1 205 . 1 1 33 33 PRO HG2 H 1 1.931 0.00 . . . . . . A 200 PRO HG2 . 30629 1 206 . 1 1 33 33 PRO HG3 H 1 2.142 0.00 . . . . . . A 200 PRO HG3 . 30629 1 207 . 1 1 33 33 PRO HD2 H 1 3.382 0.00 . . . . . . A 200 PRO HD2 . 30629 1 208 . 1 1 33 33 PRO HD3 H 1 3.934 0.00 . . . . . . A 200 PRO HD3 . 30629 1 209 . 1 1 33 33 PRO C C 13 178.600 0.00 . . . . . . A 200 PRO C . 30629 1 210 . 1 1 33 33 PRO CA C 13 62.462 0.04 . . . . . . A 200 PRO CA . 30629 1 211 . 1 1 33 33 PRO CB C 13 33.198 0.02 . . . . . . A 200 PRO CB . 30629 1 212 . 1 1 33 33 PRO CG C 13 28.138 0.04 . . . . . . A 200 PRO CG . 30629 1 213 . 1 1 33 33 PRO CD C 13 51.273 0.04 . . . . . . A 200 PRO CD . 30629 1 214 . 1 1 34 34 ALA H H 1 9.027 0.00 . . . . . . A 201 ALA H . 30629 1 215 . 1 1 34 34 ALA HA H 1 4.171 0.00 . . . . . . A 201 ALA HA . 30629 1 216 . 1 1 34 34 ALA HB1 H 1 1.457 0.00 . . . . . . A 201 ALA HB1 . 30629 1 217 . 1 1 34 34 ALA HB2 H 1 1.457 0.00 . . . . . . A 201 ALA HB2 . 30629 1 218 . 1 1 34 34 ALA HB3 H 1 1.457 0.00 . . . . . . A 201 ALA HB3 . 30629 1 219 . 1 1 34 34 ALA CA C 13 57.136 0.04 . . . . . . A 201 ALA CA . 30629 1 220 . 1 1 34 34 ALA CB C 13 16.067 0.04 . . . . . . A 201 ALA CB . 30629 1 221 . 1 1 34 34 ALA N N 15 127.316 0.01 . . . . . . A 201 ALA N . 30629 1 222 . 1 1 35 35 PRO HA H 1 4.342 0.00 . . . . . . A 202 PRO HA . 30629 1 223 . 1 1 35 35 PRO HB2 H 1 1.807 0.00 . . . . . . A 202 PRO HB2 . 30629 1 224 . 1 1 35 35 PRO HB3 H 1 2.366 0.00 . . . . . . A 202 PRO HB3 . 30629 1 225 . 1 1 35 35 PRO HG2 H 1 1.978 0.00 . . . . . . A 202 PRO HG2 . 30629 1 226 . 1 1 35 35 PRO HG3 H 1 2.031 0.00 . . . . . . A 202 PRO HG3 . 30629 1 227 . 1 1 35 35 PRO HD2 H 1 3.542 0.00 . . . . . . A 202 PRO HD2 . 30629 1 228 . 1 1 35 35 PRO HD3 H 1 3.865 0.00 . . . . . . A 202 PRO HD3 . 30629 1 229 . 1 1 35 35 PRO C C 13 179.889 0.00 . . . . . . A 202 PRO C . 30629 1 230 . 1 1 35 35 PRO CA C 13 66.224 0.06 . . . . . . A 202 PRO CA . 30629 1 231 . 1 1 35 35 PRO CB C 13 31.410 0.00 . . . . . . A 202 PRO CB . 30629 1 232 . 1 1 35 35 PRO CG C 13 28.464 0.04 . . . . . . A 202 PRO CG . 30629 1 233 . 1 1 35 35 PRO CD C 13 50.371 0.04 . . . . . . A 202 PRO CD . 30629 1 234 . 1 1 36 36 ILE H H 1 7.125 0.00 . . . . . . A 203 ILE H . 30629 1 235 . 1 1 36 36 ILE HA H 1 3.592 0.00 . . . . . . A 203 ILE HA . 30629 1 236 . 1 1 36 36 ILE HB H 1 1.861 0.01 . . . . . . A 203 ILE HB . 30629 1 237 . 1 1 36 36 ILE HG12 H 1 1.209 0.00 . . . . . . A 203 ILE HG12 . 30629 1 238 . 1 1 36 36 ILE HG13 H 1 1.554 0.00 . . . . . . A 203 ILE HG13 . 30629 1 239 . 1 1 36 36 ILE HG21 H 1 0.503 0.00 . . . . . . A 203 ILE HG21 . 30629 1 240 . 1 1 36 36 ILE HG22 H 1 0.503 0.00 . . . . . . A 203 ILE HG22 . 30629 1 241 . 1 1 36 36 ILE HG23 H 1 0.503 0.00 . . . . . . A 203 ILE HG23 . 30629 1 242 . 1 1 36 36 ILE HD11 H 1 0.809 0.00 . . . . . . A 203 ILE HD11 . 30629 1 243 . 1 1 36 36 ILE HD12 H 1 0.809 0.00 . . . . . . A 203 ILE HD12 . 30629 1 244 . 1 1 36 36 ILE HD13 H 1 0.809 0.00 . . . . . . A 203 ILE HD13 . 30629 1 245 . 1 1 36 36 ILE C C 13 176.769 0.00 . . . . . . A 203 ILE C . 30629 1 246 . 1 1 36 36 ILE CA C 13 62.625 0.02 . . . . . . A 203 ILE CA . 30629 1 247 . 1 1 36 36 ILE CB C 13 36.645 0.06 . . . . . . A 203 ILE CB . 30629 1 248 . 1 1 36 36 ILE CG1 C 13 28.496 0.06 . . . . . . A 203 ILE CG1 . 30629 1 249 . 1 1 36 36 ILE CG2 C 13 16.205 0.03 . . . . . . A 203 ILE CG2 . 30629 1 250 . 1 1 36 36 ILE CD1 C 13 11.791 0.00 . . . . . . A 203 ILE CD1 . 30629 1 251 . 1 1 36 36 ILE N N 15 116.596 0.01 . . . . . . A 203 ILE N . 30629 1 252 . 1 1 37 37 ALA H H 1 7.574 0.00 . . . . . . A 204 ALA H . 30629 1 253 . 1 1 37 37 ALA HA H 1 3.749 0.00 . . . . . . A 204 ALA HA . 30629 1 254 . 1 1 37 37 ALA HB1 H 1 1.373 0.00 . . . . . . A 204 ALA HB1 . 30629 1 255 . 1 1 37 37 ALA HB2 H 1 1.373 0.00 . . . . . . A 204 ALA HB2 . 30629 1 256 . 1 1 37 37 ALA HB3 H 1 1.373 0.00 . . . . . . A 204 ALA HB3 . 30629 1 257 . 1 1 37 37 ALA C C 13 177.806 0.00 . . . . . . A 204 ALA C . 30629 1 258 . 1 1 37 37 ALA CA C 13 55.010 0.03 . . . . . . A 204 ALA CA . 30629 1 259 . 1 1 37 37 ALA CB C 13 17.305 0.03 . . . . . . A 204 ALA CB . 30629 1 260 . 1 1 37 37 ALA N N 15 121.806 0.03 . . . . . . A 204 ALA N . 30629 1 261 . 1 1 38 38 VAL H H 1 7.293 0.00 . . . . . . A 205 VAL H . 30629 1 262 . 1 1 38 38 VAL HA H 1 3.729 0.01 . . . . . . A 205 VAL HA . 30629 1 263 . 1 1 38 38 VAL HB H 1 2.092 0.00 . . . . . . A 205 VAL HB . 30629 1 264 . 1 1 38 38 VAL HG11 H 1 1.062 0.00 . . . . . . A 205 VAL HG11 . 30629 1 265 . 1 1 38 38 VAL HG12 H 1 1.062 0.00 . . . . . . A 205 VAL HG12 . 30629 1 266 . 1 1 38 38 VAL HG13 H 1 1.062 0.00 . . . . . . A 205 VAL HG13 . 30629 1 267 . 1 1 38 38 VAL HG21 H 1 0.944 0.00 . . . . . . A 205 VAL HG21 . 30629 1 268 . 1 1 38 38 VAL HG22 H 1 0.944 0.00 . . . . . . A 205 VAL HG22 . 30629 1 269 . 1 1 38 38 VAL HG23 H 1 0.944 0.00 . . . . . . A 205 VAL HG23 . 30629 1 270 . 1 1 38 38 VAL C C 13 179.376 0.00 . . . . . . A 205 VAL C . 30629 1 271 . 1 1 38 38 VAL CA C 13 67.058 0.06 . . . . . . A 205 VAL CA . 30629 1 272 . 1 1 38 38 VAL CB C 13 32.324 0.05 . . . . . . A 205 VAL CB . 30629 1 273 . 1 1 38 38 VAL CG1 C 13 22.463 0.03 . . . . . . A 205 VAL CG1 . 30629 1 274 . 1 1 38 38 VAL CG2 C 13 21.405 0.12 . . . . . . A 205 VAL CG2 . 30629 1 275 . 1 1 38 38 VAL N N 15 111.911 0.01 . . . . . . A 205 VAL N . 30629 1 276 . 1 1 39 39 VAL H H 1 7.203 0.00 . . . . . . A 206 VAL H . 30629 1 277 . 1 1 39 39 VAL HA H 1 4.231 0.00 . . . . . . A 206 VAL HA . 30629 1 278 . 1 1 39 39 VAL HB H 1 2.312 0.00 . . . . . . A 206 VAL HB . 30629 1 279 . 1 1 39 39 VAL HG11 H 1 1.152 0.00 . . . . . . A 206 VAL HG11 . 30629 1 280 . 1 1 39 39 VAL HG12 H 1 1.152 0.00 . . . . . . A 206 VAL HG12 . 30629 1 281 . 1 1 39 39 VAL HG13 H 1 1.152 0.00 . . . . . . A 206 VAL HG13 . 30629 1 282 . 1 1 39 39 VAL HG21 H 1 1.068 0.00 . . . . . . A 206 VAL HG21 . 30629 1 283 . 1 1 39 39 VAL HG22 H 1 1.068 0.00 . . . . . . A 206 VAL HG22 . 30629 1 284 . 1 1 39 39 VAL HG23 H 1 1.068 0.00 . . . . . . A 206 VAL HG23 . 30629 1 285 . 1 1 39 39 VAL C C 13 177.386 0.00 . . . . . . A 206 VAL C . 30629 1 286 . 1 1 39 39 VAL CA C 13 63.165 0.07 . . . . . . A 206 VAL CA . 30629 1 287 . 1 1 39 39 VAL CB C 13 33.323 0.05 . . . . . . A 206 VAL CB . 30629 1 288 . 1 1 39 39 VAL CG1 C 13 19.664 0.08 . . . . . . A 206 VAL CG1 . 30629 1 289 . 1 1 39 39 VAL CG2 C 13 21.919 0.05 . . . . . . A 206 VAL CG2 . 30629 1 290 . 1 1 39 39 VAL N N 15 113.173 0.02 . . . . . . A 206 VAL N . 30629 1 291 . 1 1 40 40 GLY H H 1 8.425 0.00 . . . . . . A 207 GLY H . 30629 1 292 . 1 1 40 40 GLY HA2 H 1 3.672 0.00 . . . . . . A 207 GLY HA2 . 30629 1 293 . 1 1 40 40 GLY HA3 H 1 4.077 0.00 . . . . . . A 207 GLY HA3 . 30629 1 294 . 1 1 40 40 GLY C C 13 172.498 0.00 . . . . . . A 207 GLY C . 30629 1 295 . 1 1 40 40 GLY CA C 13 43.747 0.07 . . . . . . A 207 GLY CA . 30629 1 296 . 1 1 40 40 GLY N N 15 113.806 0.02 . . . . . . A 207 GLY N . 30629 1 297 . 1 1 41 41 GLY H H 1 8.135 0.00 . . . . . . A 208 GLY H . 30629 1 298 . 1 1 41 41 GLY HA2 H 1 3.897 0.00 . . . . . . A 208 GLY HA2 . 30629 1 299 . 1 1 41 41 GLY HA3 H 1 4.139 0.00 . . . . . . A 208 GLY HA3 . 30629 1 300 . 1 1 41 41 GLY C C 13 171.333 0.00 . . . . . . A 208 GLY C . 30629 1 301 . 1 1 41 41 GLY CA C 13 45.473 0.05 . . . . . . A 208 GLY CA . 30629 1 302 . 1 1 41 41 GLY N N 15 104.871 0.00 . . . . . . A 208 GLY N . 30629 1 303 . 1 1 42 42 LYS H H 1 8.437 0.00 . . . . . . A 209 LYS H . 30629 1 304 . 1 1 42 42 LYS HA H 1 5.329 0.00 . . . . . . A 209 LYS HA . 30629 1 305 . 1 1 42 42 LYS HB2 H 1 1.529 0.00 . . . . . . A 209 LYS HB2 . 30629 1 306 . 1 1 42 42 LYS HB3 H 1 1.628 0.01 . . . . . . A 209 LYS HB3 . 30629 1 307 . 1 1 42 42 LYS HG2 H 1 1.202 0.00 . . . . . . A 209 LYS HG2 . 30629 1 308 . 1 1 42 42 LYS HG3 H 1 1.384 0.00 . . . . . . A 209 LYS HG3 . 30629 1 309 . 1 1 42 42 LYS HD2 H 1 1.477 0.00 . . . . . . A 209 LYS HD2 . 30629 1 310 . 1 1 42 42 LYS HD3 H 1 1.555 0.00 . . . . . . A 209 LYS HD3 . 30629 1 311 . 1 1 42 42 LYS HE2 H 1 2.870 0.00 . . . . . . A 209 LYS HE2 . 30629 1 312 . 1 1 42 42 LYS C C 13 176.090 0.00 . . . . . . A 209 LYS C . 30629 1 313 . 1 1 42 42 LYS CA C 13 55.199 0.05 . . . . . . A 209 LYS CA . 30629 1 314 . 1 1 42 42 LYS CB C 13 35.064 0.01 . . . . . . A 209 LYS CB . 30629 1 315 . 1 1 42 42 LYS CG C 13 24.982 0.03 . . . . . . A 209 LYS CG . 30629 1 316 . 1 1 42 42 LYS CD C 13 29.231 0.06 . . . . . . A 209 LYS CD . 30629 1 317 . 1 1 42 42 LYS CE C 13 42.033 0.09 . . . . . . A 209 LYS CE . 30629 1 318 . 1 1 42 42 LYS N N 15 121.018 0.02 . . . . . . A 209 LYS N . 30629 1 319 . 1 1 43 43 VAL H H 1 8.708 0.00 . . . . . . A 210 VAL H . 30629 1 320 . 1 1 43 43 VAL HA H 1 4.532 0.03 . . . . . . A 210 VAL HA . 30629 1 321 . 1 1 43 43 VAL HB H 1 2.035 0.11 . . . . . . A 210 VAL HB . 30629 1 322 . 1 1 43 43 VAL HG11 H 1 1.028 0.00 . . . . . . A 210 VAL HG11 . 30629 1 323 . 1 1 43 43 VAL HG12 H 1 1.028 0.00 . . . . . . A 210 VAL HG12 . 30629 1 324 . 1 1 43 43 VAL HG13 H 1 1.028 0.00 . . . . . . A 210 VAL HG13 . 30629 1 325 . 1 1 43 43 VAL HG21 H 1 0.825 0.00 . . . . . . A 210 VAL HG21 . 30629 1 326 . 1 1 43 43 VAL HG22 H 1 0.825 0.00 . . . . . . A 210 VAL HG22 . 30629 1 327 . 1 1 43 43 VAL HG23 H 1 0.825 0.00 . . . . . . A 210 VAL HG23 . 30629 1 328 . 1 1 43 43 VAL C C 13 174.039 0.00 . . . . . . A 210 VAL C . 30629 1 329 . 1 1 43 43 VAL CA C 13 59.730 0.16 . . . . . . A 210 VAL CA . 30629 1 330 . 1 1 43 43 VAL CB C 13 35.841 0.04 . . . . . . A 210 VAL CB . 30629 1 331 . 1 1 43 43 VAL CG1 C 13 22.238 0.08 . . . . . . A 210 VAL CG1 . 30629 1 332 . 1 1 43 43 VAL CG2 C 13 20.626 0.04 . . . . . . A 210 VAL CG2 . 30629 1 333 . 1 1 43 43 VAL N N 15 116.898 0.02 . . . . . . A 210 VAL N . 30629 1 334 . 1 1 44 44 ARG H H 1 8.492 0.00 . . . . . . A 211 ARG H . 30629 1 335 . 1 1 44 44 ARG HA H 1 4.831 0.00 . . . . . . A 211 ARG HA . 30629 1 336 . 1 1 44 44 ARG HB2 H 1 1.652 0.00 . . . . . . A 211 ARG HB2 . 30629 1 337 . 1 1 44 44 ARG HB3 H 1 1.732 0.00 . . . . . . A 211 ARG HB3 . 30629 1 338 . 1 1 44 44 ARG HG2 H 1 1.410 0.00 . . . . . . A 211 ARG HG2 . 30629 1 339 . 1 1 44 44 ARG HG3 H 1 1.574 0.00 . . . . . . A 211 ARG HG3 . 30629 1 340 . 1 1 44 44 ARG HD3 H 1 3.112 0.00 . . . . . . A 211 ARG HD3 . 30629 1 341 . 1 1 44 44 ARG C C 13 175.010 0.00 . . . . . . A 211 ARG C . 30629 1 342 . 1 1 44 44 ARG CA C 13 56.003 0.00 . . . . . . A 211 ARG CA . 30629 1 343 . 1 1 44 44 ARG CB C 13 31.370 0.10 . . . . . . A 211 ARG CB . 30629 1 344 . 1 1 44 44 ARG CG C 13 27.670 0.00 . . . . . . A 211 ARG CG . 30629 1 345 . 1 1 44 44 ARG CD C 13 43.642 0.04 . . . . . . A 211 ARG CD . 30629 1 346 . 1 1 44 44 ARG N N 15 123.045 0.03 . . . . . . A 211 ARG N . 30629 1 347 . 1 1 45 45 ALA H H 1 9.056 0.00 . . . . . . A 212 ALA H . 30629 1 348 . 1 1 45 45 ALA HA H 1 4.631 0.00 . . . . . . A 212 ALA HA . 30629 1 349 . 1 1 45 45 ALA HB1 H 1 1.138 0.00 . . . . . . A 212 ALA HB1 . 30629 1 350 . 1 1 45 45 ALA HB2 H 1 1.138 0.00 . . . . . . A 212 ALA HB2 . 30629 1 351 . 1 1 45 45 ALA HB3 H 1 1.138 0.00 . . . . . . A 212 ALA HB3 . 30629 1 352 . 1 1 45 45 ALA C C 13 175.639 0.00 . . . . . . A 212 ALA C . 30629 1 353 . 1 1 45 45 ALA CA C 13 50.124 0.04 . . . . . . A 212 ALA CA . 30629 1 354 . 1 1 45 45 ALA CB C 13 22.394 0.00 . . . . . . A 212 ALA CB . 30629 1 355 . 1 1 45 45 ALA N N 15 127.499 0.00 . . . . . . A 212 ALA N . 30629 1 356 . 1 1 46 46 MET H H 1 8.484 0.00 . . . . . . A 213 MET H . 30629 1 357 . 1 1 46 46 MET HB3 H 1 1.765 0.00 . . . . . . A 213 MET HB3 . 30629 1 358 . 1 1 46 46 MET HG3 H 1 2.477 0.00 . . . . . . A 213 MET HG3 . 30629 1 359 . 1 1 46 46 MET HE1 H 1 2.008 0.00 . . . . . . A 213 MET HE1 . 30629 1 360 . 1 1 46 46 MET HE2 H 1 2.008 0.00 . . . . . . A 213 MET HE2 . 30629 1 361 . 1 1 46 46 MET HE3 H 1 2.008 0.00 . . . . . . A 213 MET HE3 . 30629 1 362 . 1 1 46 46 MET CA C 13 53.862 0.10 . . . . . . A 213 MET CA . 30629 1 363 . 1 1 46 46 MET CB C 13 31.467 0.02 . . . . . . A 213 MET CB . 30629 1 364 . 1 1 46 46 MET CG C 13 32.222 0.00 . . . . . . A 213 MET CG . 30629 1 365 . 1 1 46 46 MET CE C 13 16.328 0.02 . . . . . . A 213 MET CE . 30629 1 366 . 1 1 46 46 MET N N 15 120.418 0.01 . . . . . . A 213 MET N . 30629 1 367 . 1 1 47 47 THR HB H 1 4.675 0.00 . . . . . . A 214 THR HB . 30629 1 368 . 1 1 47 47 THR CA C 13 59.678 0.00 . . . . . . A 214 THR CA . 30629 1 369 . 1 1 47 47 THR CB C 13 72.007 0.04 . . . . . . A 214 THR CB . 30629 1 370 . 1 1 48 48 LEU HA H 1 4.078 0.00 . . . . . . A 215 LEU HA . 30629 1 371 . 1 1 48 48 LEU HB2 H 1 1.823 0.00 . . . . . . A 215 LEU HB2 . 30629 1 372 . 1 1 48 48 LEU HB3 H 1 1.624 0.00 . . . . . . A 215 LEU HB3 . 30629 1 373 . 1 1 48 48 LEU HD11 H 1 0.873 0.00 . . . . . . A 215 LEU HD11 . 30629 1 374 . 1 1 48 48 LEU HD12 H 1 0.873 0.00 . . . . . . A 215 LEU HD12 . 30629 1 375 . 1 1 48 48 LEU HD13 H 1 0.873 0.00 . . . . . . A 215 LEU HD13 . 30629 1 376 . 1 1 48 48 LEU HD21 H 1 0.896 0.01 . . . . . . A 215 LEU HD21 . 30629 1 377 . 1 1 48 48 LEU HD22 H 1 0.896 0.01 . . . . . . A 215 LEU HD22 . 30629 1 378 . 1 1 48 48 LEU HD23 H 1 0.896 0.01 . . . . . . A 215 LEU HD23 . 30629 1 379 . 1 1 48 48 LEU C C 13 177.989 0.00 . . . . . . A 215 LEU C . 30629 1 380 . 1 1 48 48 LEU CA C 13 58.120 0.09 . . . . . . A 215 LEU CA . 30629 1 381 . 1 1 48 48 LEU CB C 13 41.302 0.06 . . . . . . A 215 LEU CB . 30629 1 382 . 1 1 48 48 LEU CG C 13 27.512 0.00 . . . . . . A 215 LEU CG . 30629 1 383 . 1 1 48 48 LEU CD1 C 13 25.133 0.03 . . . . . . A 215 LEU CD1 . 30629 1 384 . 1 1 48 48 LEU CD2 C 13 23.481 0.05 . . . . . . A 215 LEU CD2 . 30629 1 385 . 1 1 49 49 GLU H H 1 7.771 0.00 . . . . . . A 216 GLU H . 30629 1 386 . 1 1 49 49 GLU HA H 1 4.365 0.01 . . . . . . A 216 GLU HA . 30629 1 387 . 1 1 49 49 GLU HB2 H 1 1.751 0.00 . . . . . . A 216 GLU HB2 . 30629 1 388 . 1 1 49 49 GLU HB3 H 1 2.159 0.00 . . . . . . A 216 GLU HB3 . 30629 1 389 . 1 1 49 49 GLU HG2 H 1 2.071 0.00 . . . . . . A 216 GLU HG2 . 30629 1 390 . 1 1 49 49 GLU HG3 H 1 2.303 0.00 . . . . . . A 216 GLU HG3 . 30629 1 391 . 1 1 49 49 GLU C C 13 175.561 0.00 . . . . . . A 216 GLU C . 30629 1 392 . 1 1 49 49 GLU CA C 13 56.569 0.00 . . . . . . A 216 GLU CA . 30629 1 393 . 1 1 49 49 GLU CB C 13 29.796 0.04 . . . . . . A 216 GLU CB . 30629 1 394 . 1 1 49 49 GLU CG C 13 37.262 0.06 . . . . . . A 216 GLU CG . 30629 1 395 . 1 1 49 49 GLU N N 15 115.339 0.02 . . . . . . A 216 GLU N . 30629 1 396 . 1 1 50 50 GLY H H 1 7.286 0.00 . . . . . . A 217 GLY H . 30629 1 397 . 1 1 50 50 GLY HA3 H 1 3.744 0.00 . . . . . . A 217 GLY HA3 . 30629 1 398 . 1 1 50 50 GLY N N 15 107.988 0.01 . . . . . . A 217 GLY N . 30629 1 399 . 1 1 51 51 PRO HA H 1 5.180 0.00 . . . . . . A 218 PRO HA . 30629 1 400 . 1 1 51 51 PRO HB2 H 1 1.794 0.00 . . . . . . A 218 PRO HB2 . 30629 1 401 . 1 1 51 51 PRO HB3 H 1 2.090 0.00 . . . . . . A 218 PRO HB3 . 30629 1 402 . 1 1 51 51 PRO HG2 H 1 1.994 0.00 . . . . . . A 218 PRO HG2 . 30629 1 403 . 1 1 51 51 PRO HG3 H 1 2.109 0.00 . . . . . . A 218 PRO HG3 . 30629 1 404 . 1 1 51 51 PRO HD2 H 1 3.518 0.00 . . . . . . A 218 PRO HD2 . 30629 1 405 . 1 1 51 51 PRO HD3 H 1 3.670 0.00 . . . . . . A 218 PRO HD3 . 30629 1 406 . 1 1 51 51 PRO C C 13 177.264 0.00 . . . . . . A 218 PRO C . 30629 1 407 . 1 1 51 51 PRO CA C 13 62.950 0.09 . . . . . . A 218 PRO CA . 30629 1 408 . 1 1 51 51 PRO CB C 13 32.343 0.03 . . . . . . A 218 PRO CB . 30629 1 409 . 1 1 51 51 PRO CG C 13 27.337 0.02 . . . . . . A 218 PRO CG . 30629 1 410 . 1 1 51 51 PRO CD C 13 49.632 0.03 . . . . . . A 218 PRO CD . 30629 1 411 . 1 1 52 52 VAL H H 1 8.985 0.00 . . . . . . A 219 VAL H . 30629 1 412 . 1 1 52 52 VAL HA H 1 4.462 0.00 . . . . . . A 219 VAL HA . 30629 1 413 . 1 1 52 52 VAL HB H 1 1.936 0.00 . . . . . . A 219 VAL HB . 30629 1 414 . 1 1 52 52 VAL HG11 H 1 0.763 0.00 . . . . . . A 219 VAL HG11 . 30629 1 415 . 1 1 52 52 VAL HG12 H 1 0.763 0.00 . . . . . . A 219 VAL HG12 . 30629 1 416 . 1 1 52 52 VAL HG13 H 1 0.763 0.00 . . . . . . A 219 VAL HG13 . 30629 1 417 . 1 1 52 52 VAL HG21 H 1 0.694 0.00 . . . . . . A 219 VAL HG21 . 30629 1 418 . 1 1 52 52 VAL HG22 H 1 0.694 0.00 . . . . . . A 219 VAL HG22 . 30629 1 419 . 1 1 52 52 VAL HG23 H 1 0.694 0.00 . . . . . . A 219 VAL HG23 . 30629 1 420 . 1 1 52 52 VAL C C 13 176.019 0.00 . . . . . . A 219 VAL C . 30629 1 421 . 1 1 52 52 VAL CA C 13 59.851 0.07 . . . . . . A 219 VAL CA . 30629 1 422 . 1 1 52 52 VAL CB C 13 35.905 0.07 . . . . . . A 219 VAL CB . 30629 1 423 . 1 1 52 52 VAL CG1 C 13 21.419 0.02 . . . . . . A 219 VAL CG1 . 30629 1 424 . 1 1 52 52 VAL CG2 C 13 20.292 0.02 . . . . . . A 219 VAL CG2 . 30629 1 425 . 1 1 52 52 VAL N N 15 119.174 0.01 . . . . . . A 219 VAL N . 30629 1 426 . 1 1 53 53 GLU H H 1 8.483 0.00 . . . . . . A 220 GLU H . 30629 1 427 . 1 1 53 53 GLU HA H 1 4.716 0.00 . . . . . . A 220 GLU HA . 30629 1 428 . 1 1 53 53 GLU HB2 H 1 1.746 0.00 . . . . . . A 220 GLU HB2 . 30629 1 429 . 1 1 53 53 GLU HB3 H 1 1.886 0.00 . . . . . . A 220 GLU HB3 . 30629 1 430 . 1 1 53 53 GLU HG2 H 1 1.941 0.00 . . . . . . A 220 GLU HG2 . 30629 1 431 . 1 1 53 53 GLU HG3 H 1 2.167 0.00 . . . . . . A 220 GLU HG3 . 30629 1 432 . 1 1 53 53 GLU C C 13 175.571 0.00 . . . . . . A 220 GLU C . 30629 1 433 . 1 1 53 53 GLU CA C 13 56.102 0.00 . . . . . . A 220 GLU CA . 30629 1 434 . 1 1 53 53 GLU CB C 13 31.086 0.00 . . . . . . A 220 GLU CB . 30629 1 435 . 1 1 53 53 GLU CG C 13 37.392 0.02 . . . . . . A 220 GLU CG . 30629 1 436 . 1 1 53 53 GLU N N 15 122.389 0.00 . . . . . . A 220 GLU N . 30629 1 437 . 1 1 54 54 VAL H H 1 9.141 0.00 . . . . . . A 221 VAL H . 30629 1 438 . 1 1 54 54 VAL HA H 1 4.220 0.00 . . . . . . A 221 VAL HA . 30629 1 439 . 1 1 54 54 VAL HB H 1 1.872 0.00 . . . . . . A 221 VAL HB . 30629 1 440 . 1 1 54 54 VAL HG21 H 1 0.710 0.01 . . . . . . A 221 VAL HG21 . 30629 1 441 . 1 1 54 54 VAL HG22 H 1 0.710 0.01 . . . . . . A 221 VAL HG22 . 30629 1 442 . 1 1 54 54 VAL HG23 H 1 0.710 0.01 . . . . . . A 221 VAL HG23 . 30629 1 443 . 1 1 54 54 VAL C C 13 174.021 0.00 . . . . . . A 221 VAL C . 30629 1 444 . 1 1 54 54 VAL CA C 13 60.737 0.12 . . . . . . A 221 VAL CA . 30629 1 445 . 1 1 54 54 VAL CB C 13 34.458 0.04 . . . . . . A 221 VAL CB . 30629 1 446 . 1 1 54 54 VAL CG2 C 13 21.441 0.03 . . . . . . A 221 VAL CG2 . 30629 1 447 . 1 1 54 54 VAL N N 15 124.631 0.01 . . . . . . A 221 VAL N . 30629 1 448 . 1 1 55 55 ALA H H 1 8.474 0.00 . . . . . . A 222 ALA H . 30629 1 449 . 1 1 55 55 ALA HA H 1 4.562 0.00 . . . . . . A 222 ALA HA . 30629 1 450 . 1 1 55 55 ALA HB1 H 1 1.281 0.00 . . . . . . A 222 ALA HB1 . 30629 1 451 . 1 1 55 55 ALA HB2 H 1 1.281 0.00 . . . . . . A 222 ALA HB2 . 30629 1 452 . 1 1 55 55 ALA HB3 H 1 1.281 0.00 . . . . . . A 222 ALA HB3 . 30629 1 453 . 1 1 55 55 ALA C C 13 175.960 0.00 . . . . . . A 222 ALA C . 30629 1 454 . 1 1 55 55 ALA CA C 13 51.357 0.04 . . . . . . A 222 ALA CA . 30629 1 455 . 1 1 55 55 ALA CB C 13 18.569 0.04 . . . . . . A 222 ALA CB . 30629 1 456 . 1 1 55 55 ALA N N 15 127.956 0.02 . . . . . . A 222 ALA N . 30629 1 457 . 1 1 56 56 VAL H H 1 8.983 0.00 . . . . . . A 223 VAL H . 30629 1 458 . 1 1 56 56 VAL HA H 1 4.274 0.00 . . . . . . A 223 VAL HA . 30629 1 459 . 1 1 56 56 VAL HB H 1 1.968 0.00 . . . . . . A 223 VAL HB . 30629 1 460 . 1 1 56 56 VAL HG11 H 1 0.887 0.00 . . . . . . A 223 VAL HG11 . 30629 1 461 . 1 1 56 56 VAL HG12 H 1 0.887 0.00 . . . . . . A 223 VAL HG12 . 30629 1 462 . 1 1 56 56 VAL HG13 H 1 0.887 0.00 . . . . . . A 223 VAL HG13 . 30629 1 463 . 1 1 56 56 VAL HG21 H 1 0.846 0.02 . . . . . . A 223 VAL HG21 . 30629 1 464 . 1 1 56 56 VAL HG22 H 1 0.846 0.02 . . . . . . A 223 VAL HG22 . 30629 1 465 . 1 1 56 56 VAL HG23 H 1 0.846 0.02 . . . . . . A 223 VAL HG23 . 30629 1 466 . 1 1 56 56 VAL CA C 13 59.335 0.03 . . . . . . A 223 VAL CA . 30629 1 467 . 1 1 56 56 VAL CB C 13 32.825 0.05 . . . . . . A 223 VAL CB . 30629 1 468 . 1 1 56 56 VAL CG1 C 13 21.053 0.00 . . . . . . A 223 VAL CG1 . 30629 1 469 . 1 1 56 56 VAL CG2 C 13 21.936 0.02 . . . . . . A 223 VAL CG2 . 30629 1 470 . 1 1 56 56 VAL N N 15 125.805 0.02 . . . . . . A 223 VAL N . 30629 1 471 . 1 1 57 57 PRO HA H 1 4.687 0.00 . . . . . . A 224 PRO HA . 30629 1 472 . 1 1 57 57 PRO HB2 H 1 1.676 0.01 . . . . . . A 224 PRO HB2 . 30629 1 473 . 1 1 57 57 PRO HB3 H 1 2.347 0.00 . . . . . . A 224 PRO HB3 . 30629 1 474 . 1 1 57 57 PRO HG2 H 1 1.749 0.00 . . . . . . A 224 PRO HG2 . 30629 1 475 . 1 1 57 57 PRO HG3 H 1 2.016 0.00 . . . . . . A 224 PRO HG3 . 30629 1 476 . 1 1 57 57 PRO HD2 H 1 3.513 0.00 . . . . . . A 224 PRO HD2 . 30629 1 477 . 1 1 57 57 PRO HD3 H 1 3.817 0.00 . . . . . . A 224 PRO HD3 . 30629 1 478 . 1 1 57 57 PRO CA C 13 61.176 0.00 . . . . . . A 224 PRO CA . 30629 1 479 . 1 1 57 57 PRO CB C 13 30.664 0.06 . . . . . . A 224 PRO CB . 30629 1 480 . 1 1 57 57 PRO CG C 13 27.090 0.00 . . . . . . A 224 PRO CG . 30629 1 481 . 1 1 58 58 PRO HA H 1 3.958 0.00 . . . . . . A 225 PRO HA . 30629 1 482 . 1 1 58 58 PRO HB2 H 1 2.209 0.00 . . . . . . A 225 PRO HB2 . 30629 1 483 . 1 1 58 58 PRO HB3 H 1 1.738 0.00 . . . . . . A 225 PRO HB3 . 30629 1 484 . 1 1 58 58 PRO HD2 H 1 3.520 0.00 . . . . . . A 225 PRO HD2 . 30629 1 485 . 1 1 58 58 PRO HD3 H 1 3.821 0.00 . . . . . . A 225 PRO HD3 . 30629 1 486 . 1 1 58 58 PRO C C 13 175.725 0.00 . . . . . . A 225 PRO C . 30629 1 487 . 1 1 58 58 PRO CA C 13 63.151 0.10 . . . . . . A 225 PRO CA . 30629 1 488 . 1 1 58 58 PRO CB C 13 32.186 0.00 . . . . . . A 225 PRO CB . 30629 1 489 . 1 1 58 58 PRO CG C 13 27.367 0.01 . . . . . . A 225 PRO CG . 30629 1 490 . 1 1 58 58 PRO CD C 13 50.136 0.10 . . . . . . A 225 PRO CD . 30629 1 491 . 1 1 59 59 ARG H H 1 8.323 0.00 . . . . . . A 226 ARG H . 30629 1 492 . 1 1 59 59 ARG HA H 1 3.878 0.00 . . . . . . A 226 ARG HA . 30629 1 493 . 1 1 59 59 ARG HB2 H 1 1.901 0.00 . . . . . . A 226 ARG HB2 . 30629 1 494 . 1 1 59 59 ARG HB3 H 1 2.043 0.00 . . . . . . A 226 ARG HB3 . 30629 1 495 . 1 1 59 59 ARG HD2 H 1 3.188 0.00 . . . . . . A 226 ARG HD2 . 30629 1 496 . 1 1 59 59 ARG HD3 H 1 3.287 0.00 . . . . . . A 226 ARG HD3 . 30629 1 497 . 1 1 59 59 ARG C C 13 176.415 0.00 . . . . . . A 226 ARG C . 30629 1 498 . 1 1 59 59 ARG CA C 13 56.762 0.03 . . . . . . A 226 ARG CA . 30629 1 499 . 1 1 59 59 ARG CB C 13 26.373 0.05 . . . . . . A 226 ARG CB . 30629 1 500 . 1 1 59 59 ARG CG C 13 27.789 0.00 . . . . . . A 226 ARG CG . 30629 1 501 . 1 1 59 59 ARG CD C 13 43.290 0.02 . . . . . . A 226 ARG CD . 30629 1 502 . 1 1 59 59 ARG N N 15 117.321 0.01 . . . . . . A 226 ARG N . 30629 1 503 . 1 1 60 60 THR H H 1 8.490 0.01 . . . . . . A 227 THR H . 30629 1 504 . 1 1 60 60 THR HA H 1 3.894 0.00 . . . . . . A 227 THR HA . 30629 1 505 . 1 1 60 60 THR HB H 1 3.880 0.01 . . . . . . A 227 THR HB . 30629 1 506 . 1 1 60 60 THR HG21 H 1 1.055 0.00 . . . . . . A 227 THR HG21 . 30629 1 507 . 1 1 60 60 THR HG22 H 1 1.055 0.00 . . . . . . A 227 THR HG22 . 30629 1 508 . 1 1 60 60 THR HG23 H 1 1.055 0.00 . . . . . . A 227 THR HG23 . 30629 1 509 . 1 1 60 60 THR C C 13 173.130 0.00 . . . . . . A 227 THR C . 30629 1 510 . 1 1 60 60 THR CA C 13 65.957 0.02 . . . . . . A 227 THR CA . 30629 1 511 . 1 1 60 60 THR CB C 13 69.196 0.03 . . . . . . A 227 THR CB . 30629 1 512 . 1 1 60 60 THR CG2 C 13 23.060 0.00 . . . . . . A 227 THR CG2 . 30629 1 513 . 1 1 60 60 THR N N 15 120.008 0.02 . . . . . . A 227 THR N . 30629 1 514 . 1 1 61 61 GLN H H 1 8.021 0.00 . . . . . . A 228 GLN H . 30629 1 515 . 1 1 61 61 GLN HA H 1 4.443 0.01 . . . . . . A 228 GLN HA . 30629 1 516 . 1 1 61 61 GLN HB2 H 1 1.864 0.00 . . . . . . A 228 GLN HB2 . 30629 1 517 . 1 1 61 61 GLN HB3 H 1 2.171 0.00 . . . . . . A 228 GLN HB3 . 30629 1 518 . 1 1 61 61 GLN HG3 H 1 2.364 0.00 . . . . . . A 228 GLN HG3 . 30629 1 519 . 1 1 61 61 GLN HE21 H 1 7.460 0.00 . . . . . . A 228 GLN HE21 . 30629 1 520 . 1 1 61 61 GLN HE22 H 1 6.863 0.00 . . . . . . A 228 GLN HE22 . 30629 1 521 . 1 1 61 61 GLN C C 13 174.790 0.00 . . . . . . A 228 GLN C . 30629 1 522 . 1 1 61 61 GLN CA C 13 53.526 0.08 . . . . . . A 228 GLN CA . 30629 1 523 . 1 1 61 61 GLN CB C 13 31.579 0.01 . . . . . . A 228 GLN CB . 30629 1 524 . 1 1 61 61 GLN CG C 13 33.961 0.04 . . . . . . A 228 GLN CG . 30629 1 525 . 1 1 61 61 GLN N N 15 125.170 0.00 . . . . . . A 228 GLN N . 30629 1 526 . 1 1 61 61 GLN NE2 N 15 112.945 0.00 . . . . . . A 228 GLN NE2 . 30629 1 527 . 1 1 62 62 ALA H H 1 8.524 0.00 . . . . . . A 229 ALA H . 30629 1 528 . 1 1 62 62 ALA HA H 1 3.856 0.00 . . . . . . A 229 ALA HA . 30629 1 529 . 1 1 62 62 ALA HB1 H 1 1.465 0.00 . . . . . . A 229 ALA HB1 . 30629 1 530 . 1 1 62 62 ALA HB2 H 1 1.465 0.00 . . . . . . A 229 ALA HB2 . 30629 1 531 . 1 1 62 62 ALA HB3 H 1 1.465 0.00 . . . . . . A 229 ALA HB3 . 30629 1 532 . 1 1 62 62 ALA C C 13 178.849 0.00 . . . . . . A 229 ALA C . 30629 1 533 . 1 1 62 62 ALA CA C 13 53.564 0.01 . . . . . . A 229 ALA CA . 30629 1 534 . 1 1 62 62 ALA CB C 13 18.545 0.02 . . . . . . A 229 ALA CB . 30629 1 535 . 1 1 62 62 ALA N N 15 121.924 0.06 . . . . . . A 229 ALA N . 30629 1 536 . 1 1 63 63 GLY H H 1 9.107 0.00 . . . . . . A 230 GLY H . 30629 1 537 . 1 1 63 63 GLY HA2 H 1 3.678 0.00 . . . . . . A 230 GLY HA2 . 30629 1 538 . 1 1 63 63 GLY HA3 H 1 4.400 0.00 . . . . . . A 230 GLY HA3 . 30629 1 539 . 1 1 63 63 GLY C C 13 174.414 0.00 . . . . . . A 230 GLY C . 30629 1 540 . 1 1 63 63 GLY CA C 13 45.008 0.02 . . . . . . A 230 GLY CA . 30629 1 541 . 1 1 63 63 GLY N N 15 110.990 0.01 . . . . . . A 230 GLY N . 30629 1 542 . 1 1 64 64 ARG H H 1 7.562 0.00 . . . . . . A 231 ARG H . 30629 1 543 . 1 1 64 64 ARG HA H 1 4.214 0.00 . . . . . . A 231 ARG HA . 30629 1 544 . 1 1 64 64 ARG HB2 H 1 1.788 0.01 . . . . . . A 231 ARG HB2 . 30629 1 545 . 1 1 64 64 ARG HB3 H 1 2.159 0.00 . . . . . . A 231 ARG HB3 . 30629 1 546 . 1 1 64 64 ARG HG3 H 1 1.793 0.00 . . . . . . A 231 ARG HG3 . 30629 1 547 . 1 1 64 64 ARG HD2 H 1 3.180 0.00 . . . . . . A 231 ARG HD2 . 30629 1 548 . 1 1 64 64 ARG HD3 H 1 3.415 0.00 . . . . . . A 231 ARG HD3 . 30629 1 549 . 1 1 64 64 ARG C C 13 175.082 0.00 . . . . . . A 231 ARG C . 30629 1 550 . 1 1 64 64 ARG CA C 13 56.873 0.00 . . . . . . A 231 ARG CA . 30629 1 551 . 1 1 64 64 ARG CB C 13 30.677 0.03 . . . . . . A 231 ARG CB . 30629 1 552 . 1 1 64 64 ARG CG C 13 27.765 0.04 . . . . . . A 231 ARG CG . 30629 1 553 . 1 1 64 64 ARG CD C 13 43.537 0.02 . . . . . . A 231 ARG CD . 30629 1 554 . 1 1 64 64 ARG N N 15 121.525 0.03 . . . . . . A 231 ARG N . 30629 1 555 . 1 1 65 65 LYS H H 1 8.728 0.00 . . . . . . A 232 LYS H . 30629 1 556 . 1 1 65 65 LYS HA H 1 5.427 0.00 . . . . . . A 232 LYS HA . 30629 1 557 . 1 1 65 65 LYS HB2 H 1 1.633 0.00 . . . . . . A 232 LYS HB2 . 30629 1 558 . 1 1 65 65 LYS HB3 H 1 1.914 0.00 . . . . . . A 232 LYS HB3 . 30629 1 559 . 1 1 65 65 LYS HG2 H 1 1.387 0.00 . . . . . . A 232 LYS HG2 . 30629 1 560 . 1 1 65 65 LYS HG3 H 1 1.659 0.00 . . . . . . A 232 LYS HG3 . 30629 1 561 . 1 1 65 65 LYS HD2 H 1 1.677 0.00 . . . . . . A 232 LYS HD2 . 30629 1 562 . 1 1 65 65 LYS HD3 H 1 1.719 0.00 . . . . . . A 232 LYS HD3 . 30629 1 563 . 1 1 65 65 LYS HE3 H 1 2.990 0.00 . . . . . . A 232 LYS HE3 . 30629 1 564 . 1 1 65 65 LYS C C 13 175.929 0.00 . . . . . . A 232 LYS C . 30629 1 565 . 1 1 65 65 LYS CA C 13 54.915 0.22 . . . . . . A 232 LYS CA . 30629 1 566 . 1 1 65 65 LYS CB C 13 34.448 0.10 . . . . . . A 232 LYS CB . 30629 1 567 . 1 1 65 65 LYS CG C 13 25.701 0.05 . . . . . . A 232 LYS CG . 30629 1 568 . 1 1 65 65 LYS CD C 13 29.393 0.07 . . . . . . A 232 LYS CD . 30629 1 569 . 1 1 65 65 LYS CE C 13 42.093 0.02 . . . . . . A 232 LYS CE . 30629 1 570 . 1 1 65 65 LYS N N 15 123.207 0.01 . . . . . . A 232 LYS N . 30629 1 571 . 1 1 66 66 LEU H H 1 9.253 0.00 . . . . . . A 233 LEU H . 30629 1 572 . 1 1 66 66 LEU HA H 1 4.454 0.00 . . . . . . A 233 LEU HA . 30629 1 573 . 1 1 66 66 LEU HD11 H 1 0.649 0.00 . . . . . . A 233 LEU HD11 . 30629 1 574 . 1 1 66 66 LEU HD12 H 1 0.649 0.00 . . . . . . A 233 LEU HD12 . 30629 1 575 . 1 1 66 66 LEU HD13 H 1 0.649 0.00 . . . . . . A 233 LEU HD13 . 30629 1 576 . 1 1 66 66 LEU HD21 H 1 0.466 0.00 . . . . . . A 233 LEU HD21 . 30629 1 577 . 1 1 66 66 LEU HD22 H 1 0.466 0.00 . . . . . . A 233 LEU HD22 . 30629 1 578 . 1 1 66 66 LEU HD23 H 1 0.466 0.00 . . . . . . A 233 LEU HD23 . 30629 1 579 . 1 1 66 66 LEU C C 13 174.727 0.00 . . . . . . A 233 LEU C . 30629 1 580 . 1 1 66 66 LEU CA C 13 53.509 0.05 . . . . . . A 233 LEU CA . 30629 1 581 . 1 1 66 66 LEU CB C 13 42.627 0.01 . . . . . . A 233 LEU CB . 30629 1 582 . 1 1 66 66 LEU CD1 C 13 24.776 0.00 . . . . . . A 233 LEU CD1 . 30629 1 583 . 1 1 66 66 LEU CD2 C 13 24.516 0.01 . . . . . . A 233 LEU CD2 . 30629 1 584 . 1 1 66 66 LEU N N 15 126.546 0.01 . . . . . . A 233 LEU N . 30629 1 585 . 1 1 67 67 ARG H H 1 8.556 0.01 . . . . . . A 234 ARG H . 30629 1 586 . 1 1 67 67 ARG HA H 1 4.360 0.01 . . . . . . A 234 ARG HA . 30629 1 587 . 1 1 67 67 ARG HB2 H 1 1.444 0.01 . . . . . . A 234 ARG HB2 . 30629 1 588 . 1 1 67 67 ARG HB3 H 1 1.751 0.00 . . . . . . A 234 ARG HB3 . 30629 1 589 . 1 1 67 67 ARG HG2 H 1 0.490 0.00 . . . . . . A 234 ARG HG2 . 30629 1 590 . 1 1 67 67 ARG HG3 H 1 0.692 0.00 . . . . . . A 234 ARG HG3 . 30629 1 591 . 1 1 67 67 ARG HD2 H 1 2.987 0.02 . . . . . . A 234 ARG HD2 . 30629 1 592 . 1 1 67 67 ARG HD3 H 1 3.196 0.00 . . . . . . A 234 ARG HD3 . 30629 1 593 . 1 1 67 67 ARG C C 13 175.123 0.00 . . . . . . A 234 ARG C . 30629 1 594 . 1 1 67 67 ARG CA C 13 54.976 0.05 . . . . . . A 234 ARG CA . 30629 1 595 . 1 1 67 67 ARG CB C 13 32.760 0.07 . . . . . . A 234 ARG CB . 30629 1 596 . 1 1 67 67 ARG CG C 13 27.127 0.05 . . . . . . A 234 ARG CG . 30629 1 597 . 1 1 67 67 ARG CD C 13 43.670 0.06 . . . . . . A 234 ARG CD . 30629 1 598 . 1 1 67 67 ARG N N 15 124.286 0.00 . . . . . . A 234 ARG N . 30629 1 599 . 1 1 68 68 LEU H H 1 9.433 0.00 . . . . . . A 235 LEU H . 30629 1 600 . 1 1 68 68 LEU HA H 1 4.593 0.00 . . . . . . A 235 LEU HA . 30629 1 601 . 1 1 68 68 LEU HB2 H 1 1.279 0.00 . . . . . . A 235 LEU HB2 . 30629 1 602 . 1 1 68 68 LEU HB3 H 1 1.635 0.00 . . . . . . A 235 LEU HB3 . 30629 1 603 . 1 1 68 68 LEU HG H 1 1.586 0.14 . . . . . . A 235 LEU HG . 30629 1 604 . 1 1 68 68 LEU HD11 H 1 0.723 0.00 . . . . . . A 235 LEU HD11 . 30629 1 605 . 1 1 68 68 LEU HD12 H 1 0.723 0.00 . . . . . . A 235 LEU HD12 . 30629 1 606 . 1 1 68 68 LEU HD13 H 1 0.723 0.00 . . . . . . A 235 LEU HD13 . 30629 1 607 . 1 1 68 68 LEU HD21 H 1 0.679 0.00 . . . . . . A 235 LEU HD21 . 30629 1 608 . 1 1 68 68 LEU HD22 H 1 0.679 0.00 . . . . . . A 235 LEU HD22 . 30629 1 609 . 1 1 68 68 LEU HD23 H 1 0.679 0.00 . . . . . . A 235 LEU HD23 . 30629 1 610 . 1 1 68 68 LEU C C 13 176.263 0.00 . . . . . . A 235 LEU C . 30629 1 611 . 1 1 68 68 LEU CA C 13 53.612 0.04 . . . . . . A 235 LEU CA . 30629 1 612 . 1 1 68 68 LEU CB C 13 41.103 0.04 . . . . . . A 235 LEU CB . 30629 1 613 . 1 1 68 68 LEU CG C 13 27.540 0.06 . . . . . . A 235 LEU CG . 30629 1 614 . 1 1 68 68 LEU CD1 C 13 24.332 0.01 . . . . . . A 235 LEU CD1 . 30629 1 615 . 1 1 68 68 LEU CD2 C 13 25.275 0.01 . . . . . . A 235 LEU CD2 . 30629 1 616 . 1 1 68 68 LEU N N 15 130.436 0.00 . . . . . . A 235 LEU N . 30629 1 617 . 1 1 69 69 LYS H H 1 8.532 0.00 . . . . . . A 236 LYS H . 30629 1 618 . 1 1 69 69 LYS HA H 1 4.037 0.00 . . . . . . A 236 LYS HA . 30629 1 619 . 1 1 69 69 LYS HB2 H 1 1.596 0.01 . . . . . . A 236 LYS HB2 . 30629 1 620 . 1 1 69 69 LYS HB3 H 1 1.653 0.02 . . . . . . A 236 LYS HB3 . 30629 1 621 . 1 1 69 69 LYS HG2 H 1 1.410 0.00 . . . . . . A 236 LYS HG2 . 30629 1 622 . 1 1 69 69 LYS HG3 H 1 1.224 0.00 . . . . . . A 236 LYS HG3 . 30629 1 623 . 1 1 69 69 LYS HD3 H 1 1.621 0.01 . . . . . . A 236 LYS HD3 . 30629 1 624 . 1 1 69 69 LYS HE3 H 1 2.927 0.00 . . . . . . A 236 LYS HE3 . 30629 1 625 . 1 1 69 69 LYS C C 13 178.751 0.00 . . . . . . A 236 LYS C . 30629 1 626 . 1 1 69 69 LYS CA C 13 56.709 0.07 . . . . . . A 236 LYS CA . 30629 1 627 . 1 1 69 69 LYS CB C 13 32.221 0.05 . . . . . . A 236 LYS CB . 30629 1 628 . 1 1 69 69 LYS CG C 13 24.866 0.03 . . . . . . A 236 LYS CG . 30629 1 629 . 1 1 69 69 LYS CD C 13 29.128 0.03 . . . . . . A 236 LYS CD . 30629 1 630 . 1 1 69 69 LYS CE C 13 41.813 0.00 . . . . . . A 236 LYS CE . 30629 1 631 . 1 1 69 69 LYS N N 15 126.816 0.01 . . . . . . A 236 LYS N . 30629 1 632 . 1 1 70 70 GLY H H 1 9.304 0.00 . . . . . . A 237 GLY H . 30629 1 633 . 1 1 70 70 GLY HA2 H 1 3.726 0.00 . . . . . . A 237 GLY HA2 . 30629 1 634 . 1 1 70 70 GLY HA3 H 1 3.898 0.00 . . . . . . A 237 GLY HA3 . 30629 1 635 . 1 1 70 70 GLY C C 13 174.641 0.00 . . . . . . A 237 GLY C . 30629 1 636 . 1 1 70 70 GLY CA C 13 46.940 0.04 . . . . . . A 237 GLY CA . 30629 1 637 . 1 1 70 70 GLY N N 15 113.078 0.01 . . . . . . A 237 GLY N . 30629 1 638 . 1 1 71 71 LYS H H 1 6.531 0.00 . . . . . . A 238 LYS H . 30629 1 639 . 1 1 71 71 LYS HA H 1 4.672 0.00 . . . . . . A 238 LYS HA . 30629 1 640 . 1 1 71 71 LYS HB2 H 1 1.487 0.01 . . . . . . A 238 LYS HB2 . 30629 1 641 . 1 1 71 71 LYS HB3 H 1 2.224 0.01 . . . . . . A 238 LYS HB3 . 30629 1 642 . 1 1 71 71 LYS HG2 H 1 1.216 0.00 . . . . . . A 238 LYS HG2 . 30629 1 643 . 1 1 71 71 LYS HG3 H 1 1.266 0.00 . . . . . . A 238 LYS HG3 . 30629 1 644 . 1 1 71 71 LYS HE3 H 1 2.913 0.00 . . . . . . A 238 LYS HE3 . 30629 1 645 . 1 1 71 71 LYS C C 13 175.853 0.00 . . . . . . A 238 LYS C . 30629 1 646 . 1 1 71 71 LYS CA C 13 54.002 0.06 . . . . . . A 238 LYS CA . 30629 1 647 . 1 1 71 71 LYS CB C 13 32.133 0.10 . . . . . . A 238 LYS CB . 30629 1 648 . 1 1 71 71 LYS CG C 13 24.931 0.03 . . . . . . A 238 LYS CG . 30629 1 649 . 1 1 71 71 LYS CD C 13 28.041 0.01 . . . . . . A 238 LYS CD . 30629 1 650 . 1 1 71 71 LYS CE C 13 42.212 0.00 . . . . . . A 238 LYS CE . 30629 1 651 . 1 1 71 71 LYS N N 15 114.380 0.03 . . . . . . A 238 LYS N . 30629 1 652 . 1 1 72 72 GLY H H 1 8.243 0.00 . . . . . . A 239 GLY H . 30629 1 653 . 1 1 72 72 GLY N N 15 108.001 0.00 . . . . . . A 239 GLY N . 30629 1 654 . 1 1 73 73 PHE HA H 1 4.637 0.00 . . . . . . A 240 PHE HA . 30629 1 655 . 1 1 73 73 PHE HB2 H 1 2.957 0.00 . . . . . . A 240 PHE HB2 . 30629 1 656 . 1 1 73 73 PHE HB3 H 1 3.232 0.00 . . . . . . A 240 PHE HB3 . 30629 1 657 . 1 1 73 73 PHE HD1 H 1 7.206 0.00 . . . . . . A 240 PHE HD1 . 30629 1 658 . 1 1 73 73 PHE HD2 H 1 7.210 0.00 . . . . . . A 240 PHE HD2 . 30629 1 659 . 1 1 73 73 PHE HE1 H 1 7.291 0.00 . . . . . . A 240 PHE HE1 . 30629 1 660 . 1 1 73 73 PHE HE2 H 1 7.295 0.00 . . . . . . A 240 PHE HE2 . 30629 1 661 . 1 1 73 73 PHE CA C 13 55.554 0.00 . . . . . . A 240 PHE CA . 30629 1 662 . 1 1 73 73 PHE CB C 13 38.506 0.02 . . . . . . A 240 PHE CB . 30629 1 663 . 1 1 73 73 PHE CD1 C 13 130.761 0.04 . . . . . . A 240 PHE CD1 . 30629 1 664 . 1 1 73 73 PHE CD2 C 13 130.766 0.00 . . . . . . A 240 PHE CD2 . 30629 1 665 . 1 1 73 73 PHE CE1 C 13 131.861 0.00 . . . . . . A 240 PHE CE1 . 30629 1 666 . 1 1 73 73 PHE CE2 C 13 131.806 0.00 . . . . . . A 240 PHE CE2 . 30629 1 667 . 1 1 74 74 PRO HA H 1 4.566 0.00 . . . . . . A 241 PRO HA . 30629 1 668 . 1 1 74 74 PRO HB2 H 1 1.976 0.00 . . . . . . A 241 PRO HB2 . 30629 1 669 . 1 1 74 74 PRO HB3 H 1 2.205 0.00 . . . . . . A 241 PRO HB3 . 30629 1 670 . 1 1 74 74 PRO HG2 H 1 1.989 0.00 . . . . . . A 241 PRO HG2 . 30629 1 671 . 1 1 74 74 PRO HG3 H 1 2.082 0.00 . . . . . . A 241 PRO HG3 . 30629 1 672 . 1 1 74 74 PRO HD2 H 1 3.609 0.00 . . . . . . A 241 PRO HD2 . 30629 1 673 . 1 1 74 74 PRO HD3 H 1 3.823 0.00 . . . . . . A 241 PRO HD3 . 30629 1 674 . 1 1 74 74 PRO C C 13 175.280 0.00 . . . . . . A 241 PRO C . 30629 1 675 . 1 1 74 74 PRO CA C 13 63.424 0.08 . . . . . . A 241 PRO CA . 30629 1 676 . 1 1 74 74 PRO CB C 13 32.339 0.04 . . . . . . A 241 PRO CB . 30629 1 677 . 1 1 74 74 PRO CG C 13 27.538 0.04 . . . . . . A 241 PRO CG . 30629 1 678 . 1 1 74 74 PRO CD C 13 50.604 0.18 . . . . . . A 241 PRO CD . 30629 1 679 . 1 1 75 75 GLY H H 1 7.811 0.00 . . . . . . A 242 GLY H . 30629 1 680 . 1 1 75 75 GLY HA2 H 1 3.990 0.00 . . . . . . A 242 GLY HA2 . 30629 1 681 . 1 1 75 75 GLY HA3 H 1 4.345 0.01 . . . . . . A 242 GLY HA3 . 30629 1 682 . 1 1 75 75 GLY CA C 13 44.976 0.03 . . . . . . A 242 GLY CA . 30629 1 683 . 1 1 75 75 GLY N N 15 109.548 0.03 . . . . . . A 242 GLY N . 30629 1 684 . 1 1 76 76 PRO HA H 1 4.303 0.00 . . . . . . A 243 PRO HA . 30629 1 685 . 1 1 76 76 PRO HB2 H 1 1.945 0.00 . . . . . . A 243 PRO HB2 . 30629 1 686 . 1 1 76 76 PRO HB3 H 1 2.345 0.00 . . . . . . A 243 PRO HB3 . 30629 1 687 . 1 1 76 76 PRO HG3 H 1 2.031 0.00 . . . . . . A 243 PRO HG3 . 30629 1 688 . 1 1 76 76 PRO HD2 H 1 3.527 0.00 . . . . . . A 243 PRO HD2 . 30629 1 689 . 1 1 76 76 PRO HD3 H 1 3.670 0.00 . . . . . . A 243 PRO HD3 . 30629 1 690 . 1 1 76 76 PRO C C 13 177.434 0.00 . . . . . . A 243 PRO C . 30629 1 691 . 1 1 76 76 PRO CA C 13 64.895 0.02 . . . . . . A 243 PRO CA . 30629 1 692 . 1 1 76 76 PRO CB C 13 31.962 0.04 . . . . . . A 243 PRO CB . 30629 1 693 . 1 1 76 76 PRO CG C 13 27.117 0.06 . . . . . . A 243 PRO CG . 30629 1 694 . 1 1 76 76 PRO CD C 13 49.551 0.10 . . . . . . A 243 PRO CD . 30629 1 695 . 1 1 77 77 ALA H H 1 8.600 0.00 . . . . . . A 244 ALA H . 30629 1 696 . 1 1 77 77 ALA HA H 1 4.604 0.00 . . . . . . A 244 ALA HA . 30629 1 697 . 1 1 77 77 ALA HB1 H 1 1.328 0.00 . . . . . . A 244 ALA HB1 . 30629 1 698 . 1 1 77 77 ALA HB2 H 1 1.328 0.00 . . . . . . A 244 ALA HB2 . 30629 1 699 . 1 1 77 77 ALA HB3 H 1 1.328 0.00 . . . . . . A 244 ALA HB3 . 30629 1 700 . 1 1 77 77 ALA C C 13 176.689 0.00 . . . . . . A 244 ALA C . 30629 1 701 . 1 1 77 77 ALA CA C 13 51.231 0.02 . . . . . . A 244 ALA CA . 30629 1 702 . 1 1 77 77 ALA CB C 13 18.921 0.02 . . . . . . A 244 ALA CB . 30629 1 703 . 1 1 77 77 ALA N N 15 120.117 0.02 . . . . . . A 244 ALA N . 30629 1 704 . 1 1 78 78 GLY H H 1 7.520 0.00 . . . . . . A 245 GLY H . 30629 1 705 . 1 1 78 78 GLY HA2 H 1 3.771 0.01 . . . . . . A 245 GLY HA2 . 30629 1 706 . 1 1 78 78 GLY HA3 H 1 4.431 0.00 . . . . . . A 245 GLY HA3 . 30629 1 707 . 1 1 78 78 GLY C C 13 173.361 0.00 . . . . . . A 245 GLY C . 30629 1 708 . 1 1 78 78 GLY CA C 13 44.126 0.06 . . . . . . A 245 GLY CA . 30629 1 709 . 1 1 78 78 GLY N N 15 108.049 0.00 . . . . . . A 245 GLY N . 30629 1 710 . 1 1 79 79 ARG H H 1 8.513 0.00 . . . . . . A 246 ARG H . 30629 1 711 . 1 1 79 79 ARG HA H 1 4.709 0.01 . . . . . . A 246 ARG HA . 30629 1 712 . 1 1 79 79 ARG HB3 H 1 1.581 0.00 . . . . . . A 246 ARG HB3 . 30629 1 713 . 1 1 79 79 ARG HG2 H 1 1.294 0.01 . . . . . . A 246 ARG HG2 . 30629 1 714 . 1 1 79 79 ARG HG3 H 1 1.759 0.01 . . . . . . A 246 ARG HG3 . 30629 1 715 . 1 1 79 79 ARG HD2 H 1 3.173 0.00 . . . . . . A 246 ARG HD2 . 30629 1 716 . 1 1 79 79 ARG C C 13 178.454 0.00 . . . . . . A 246 ARG C . 30629 1 717 . 1 1 79 79 ARG CA C 13 56.034 0.05 . . . . . . A 246 ARG CA . 30629 1 718 . 1 1 79 79 ARG CB C 13 32.615 0.07 . . . . . . A 246 ARG CB . 30629 1 719 . 1 1 79 79 ARG CG C 13 28.020 0.13 . . . . . . A 246 ARG CG . 30629 1 720 . 1 1 79 79 ARG CD C 13 43.354 0.00 . . . . . . A 246 ARG CD . 30629 1 721 . 1 1 79 79 ARG N N 15 120.182 0.01 . . . . . . A 246 ARG N . 30629 1 722 . 1 1 80 80 GLY H H 1 8.176 0.01 . . . . . . A 247 GLY H . 30629 1 723 . 1 1 80 80 GLY HA2 H 1 3.782 0.01 . . . . . . A 247 GLY HA2 . 30629 1 724 . 1 1 80 80 GLY HA3 H 1 4.300 0.00 . . . . . . A 247 GLY HA3 . 30629 1 725 . 1 1 80 80 GLY C C 13 172.591 0.00 . . . . . . A 247 GLY C . 30629 1 726 . 1 1 80 80 GLY CA C 13 43.980 0.08 . . . . . . A 247 GLY CA . 30629 1 727 . 1 1 80 80 GLY N N 15 107.824 0.06 . . . . . . A 247 GLY N . 30629 1 728 . 1 1 81 81 ASP H H 1 9.181 0.00 . . . . . . A 248 ASP H . 30629 1 729 . 1 1 81 81 ASP HA H 1 4.911 0.00 . . . . . . A 248 ASP HA . 30629 1 730 . 1 1 81 81 ASP HB2 H 1 1.798 0.00 . . . . . . A 248 ASP HB2 . 30629 1 731 . 1 1 81 81 ASP HB3 H 1 2.289 0.00 . . . . . . A 248 ASP HB3 . 30629 1 732 . 1 1 81 81 ASP C C 13 173.106 0.00 . . . . . . A 248 ASP C . 30629 1 733 . 1 1 81 81 ASP CA C 13 53.719 0.09 . . . . . . A 248 ASP CA . 30629 1 734 . 1 1 81 81 ASP CB C 13 43.857 0.11 . . . . . . A 248 ASP CB . 30629 1 735 . 1 1 81 81 ASP N N 15 119.325 0.02 . . . . . . A 248 ASP N . 30629 1 736 . 1 1 82 82 LEU H H 1 7.626 0.00 . . . . . . A 249 LEU H . 30629 1 737 . 1 1 82 82 LEU HA H 1 4.901 0.00 . . . . . . A 249 LEU HA . 30629 1 738 . 1 1 82 82 LEU HB2 H 1 1.013 0.00 . . . . . . A 249 LEU HB2 . 30629 1 739 . 1 1 82 82 LEU HB3 H 1 1.640 0.00 . . . . . . A 249 LEU HB3 . 30629 1 740 . 1 1 82 82 LEU HD11 H 1 0.873 0.00 . . . . . . A 249 LEU HD11 . 30629 1 741 . 1 1 82 82 LEU HD12 H 1 0.873 0.00 . . . . . . A 249 LEU HD12 . 30629 1 742 . 1 1 82 82 LEU HD13 H 1 0.873 0.00 . . . . . . A 249 LEU HD13 . 30629 1 743 . 1 1 82 82 LEU HD21 H 1 0.748 0.00 . . . . . . A 249 LEU HD21 . 30629 1 744 . 1 1 82 82 LEU HD22 H 1 0.748 0.00 . . . . . . A 249 LEU HD22 . 30629 1 745 . 1 1 82 82 LEU HD23 H 1 0.748 0.00 . . . . . . A 249 LEU HD23 . 30629 1 746 . 1 1 82 82 LEU C C 13 173.662 0.00 . . . . . . A 249 LEU C . 30629 1 747 . 1 1 82 82 LEU CA C 13 52.961 0.16 . . . . . . A 249 LEU CA . 30629 1 748 . 1 1 82 82 LEU CB C 13 45.823 0.03 . . . . . . A 249 LEU CB . 30629 1 749 . 1 1 82 82 LEU CD1 C 13 26.504 0.06 . . . . . . A 249 LEU CD1 . 30629 1 750 . 1 1 82 82 LEU CD2 C 13 23.384 0.05 . . . . . . A 249 LEU CD2 . 30629 1 751 . 1 1 82 82 LEU N N 15 121.365 0.00 . . . . . . A 249 LEU N . 30629 1 752 . 1 1 83 83 TYR H H 1 9.217 0.00 . . . . . . A 250 TYR H . 30629 1 753 . 1 1 83 83 TYR HA H 1 4.977 0.00 . . . . . . A 250 TYR HA . 30629 1 754 . 1 1 83 83 TYR HB2 H 1 2.353 0.00 . . . . . . A 250 TYR HB2 . 30629 1 755 . 1 1 83 83 TYR HB3 H 1 2.506 0.00 . . . . . . A 250 TYR HB3 . 30629 1 756 . 1 1 83 83 TYR HD1 H 1 6.571 0.00 . . . . . . A 250 TYR HD1 . 30629 1 757 . 1 1 83 83 TYR HD2 H 1 6.567 0.00 . . . . . . A 250 TYR HD2 . 30629 1 758 . 1 1 83 83 TYR HE1 H 1 6.700 0.00 . . . . . . A 250 TYR HE1 . 30629 1 759 . 1 1 83 83 TYR HE2 H 1 6.701 0.00 . . . . . . A 250 TYR HE2 . 30629 1 760 . 1 1 83 83 TYR C C 13 174.744 0.00 . . . . . . A 250 TYR C . 30629 1 761 . 1 1 83 83 TYR CA C 13 56.911 0.05 . . . . . . A 250 TYR CA . 30629 1 762 . 1 1 83 83 TYR CB C 13 40.987 0.02 . . . . . . A 250 TYR CB . 30629 1 763 . 1 1 83 83 TYR CD1 C 13 132.741 0.00 . . . . . . A 250 TYR CD1 . 30629 1 764 . 1 1 83 83 TYR CD2 C 13 132.827 0.00 . . . . . . A 250 TYR CD2 . 30629 1 765 . 1 1 83 83 TYR CE1 C 13 117.463 0.00 . . . . . . A 250 TYR CE1 . 30629 1 766 . 1 1 83 83 TYR CE2 C 13 117.553 0.00 . . . . . . A 250 TYR CE2 . 30629 1 767 . 1 1 83 83 TYR N N 15 125.689 0.00 . . . . . . A 250 TYR N . 30629 1 768 . 1 1 84 84 LEU H H 1 9.047 0.00 . . . . . . A 251 LEU H . 30629 1 769 . 1 1 84 84 LEU HA H 1 5.015 0.01 . . . . . . A 251 LEU HA . 30629 1 770 . 1 1 84 84 LEU HB2 H 1 1.698 0.00 . . . . . . A 251 LEU HB2 . 30629 1 771 . 1 1 84 84 LEU HB3 H 1 1.199 0.00 . . . . . . A 251 LEU HB3 . 30629 1 772 . 1 1 84 84 LEU HD11 H 1 0.780 0.00 . . . . . . A 251 LEU HD11 . 30629 1 773 . 1 1 84 84 LEU HD12 H 1 0.780 0.00 . . . . . . A 251 LEU HD12 . 30629 1 774 . 1 1 84 84 LEU HD13 H 1 0.780 0.00 . . . . . . A 251 LEU HD13 . 30629 1 775 . 1 1 84 84 LEU HD21 H 1 0.732 0.00 . . . . . . A 251 LEU HD21 . 30629 1 776 . 1 1 84 84 LEU HD22 H 1 0.732 0.00 . . . . . . A 251 LEU HD22 . 30629 1 777 . 1 1 84 84 LEU HD23 H 1 0.732 0.00 . . . . . . A 251 LEU HD23 . 30629 1 778 . 1 1 84 84 LEU C C 13 175.382 0.00 . . . . . . A 251 LEU C . 30629 1 779 . 1 1 84 84 LEU CA C 13 52.020 0.04 . . . . . . A 251 LEU CA . 30629 1 780 . 1 1 84 84 LEU CB C 13 43.973 0.02 . . . . . . A 251 LEU CB . 30629 1 781 . 1 1 84 84 LEU CG C 13 27.091 0.00 . . . . . . A 251 LEU CG . 30629 1 782 . 1 1 84 84 LEU CD1 C 13 24.325 0.07 . . . . . . A 251 LEU CD1 . 30629 1 783 . 1 1 84 84 LEU CD2 C 13 27.188 0.02 . . . . . . A 251 LEU CD2 . 30629 1 784 . 1 1 84 84 LEU N N 15 122.445 0.02 . . . . . . A 251 LEU N . 30629 1 785 . 1 1 85 85 GLU H H 1 8.982 0.00 . . . . . . A 252 GLU H . 30629 1 786 . 1 1 85 85 GLU HA H 1 4.819 0.00 . . . . . . A 252 GLU HA . 30629 1 787 . 1 1 85 85 GLU HB3 H 1 2.003 0.01 . . . . . . A 252 GLU HB3 . 30629 1 788 . 1 1 85 85 GLU HG2 H 1 1.980 0.00 . . . . . . A 252 GLU HG2 . 30629 1 789 . 1 1 85 85 GLU HG3 H 1 2.076 0.00 . . . . . . A 252 GLU HG3 . 30629 1 790 . 1 1 85 85 GLU C C 13 176.162 0.00 . . . . . . A 252 GLU C . 30629 1 791 . 1 1 85 85 GLU CA C 13 55.116 0.12 . . . . . . A 252 GLU CA . 30629 1 792 . 1 1 85 85 GLU CB C 13 31.432 0.08 . . . . . . A 252 GLU CB . 30629 1 793 . 1 1 85 85 GLU CG C 13 37.092 0.04 . . . . . . A 252 GLU CG . 30629 1 794 . 1 1 85 85 GLU N N 15 124.807 0.00 . . . . . . A 252 GLU N . 30629 1 795 . 1 1 86 86 VAL H H 1 9.022 0.00 . . . . . . A 253 VAL H . 30629 1 796 . 1 1 86 86 VAL HA H 1 4.334 0.00 . . . . . . A 253 VAL HA . 30629 1 797 . 1 1 86 86 VAL HB H 1 2.163 0.00 . . . . . . A 253 VAL HB . 30629 1 798 . 1 1 86 86 VAL HG11 H 1 0.709 0.00 . . . . . . A 253 VAL HG11 . 30629 1 799 . 1 1 86 86 VAL HG12 H 1 0.709 0.00 . . . . . . A 253 VAL HG12 . 30629 1 800 . 1 1 86 86 VAL HG13 H 1 0.709 0.00 . . . . . . A 253 VAL HG13 . 30629 1 801 . 1 1 86 86 VAL HG21 H 1 1.060 0.00 . . . . . . A 253 VAL HG21 . 30629 1 802 . 1 1 86 86 VAL HG22 H 1 1.060 0.00 . . . . . . A 253 VAL HG22 . 30629 1 803 . 1 1 86 86 VAL HG23 H 1 1.060 0.00 . . . . . . A 253 VAL HG23 . 30629 1 804 . 1 1 86 86 VAL C C 13 176.266 0.00 . . . . . . A 253 VAL C . 30629 1 805 . 1 1 86 86 VAL CA C 13 64.735 0.10 . . . . . . A 253 VAL CA . 30629 1 806 . 1 1 86 86 VAL CB C 13 32.438 0.02 . . . . . . A 253 VAL CB . 30629 1 807 . 1 1 86 86 VAL CG1 C 13 21.331 0.08 . . . . . . A 253 VAL CG1 . 30629 1 808 . 1 1 86 86 VAL CG2 C 13 22.672 0.08 . . . . . . A 253 VAL CG2 . 30629 1 809 . 1 1 86 86 VAL N N 15 128.065 0.00 . . . . . . A 253 VAL N . 30629 1 810 . 1 1 87 87 ARG H H 1 9.369 0.00 . . . . . . A 254 ARG H . 30629 1 811 . 1 1 87 87 ARG HA H 1 4.550 0.01 . . . . . . A 254 ARG HA . 30629 1 812 . 1 1 87 87 ARG HB2 H 1 1.724 0.00 . . . . . . A 254 ARG HB2 . 30629 1 813 . 1 1 87 87 ARG HB3 H 1 1.929 0.00 . . . . . . A 254 ARG HB3 . 30629 1 814 . 1 1 87 87 ARG HG2 H 1 1.382 0.00 . . . . . . A 254 ARG HG2 . 30629 1 815 . 1 1 87 87 ARG HG3 H 1 1.642 0.00 . . . . . . A 254 ARG HG3 . 30629 1 816 . 1 1 87 87 ARG HD2 H 1 3.138 0.00 . . . . . . A 254 ARG HD2 . 30629 1 817 . 1 1 87 87 ARG HD3 H 1 3.197 0.00 . . . . . . A 254 ARG HD3 . 30629 1 818 . 1 1 87 87 ARG C C 13 173.887 0.00 . . . . . . A 254 ARG C . 30629 1 819 . 1 1 87 87 ARG CA C 13 55.143 0.02 . . . . . . A 254 ARG CA . 30629 1 820 . 1 1 87 87 ARG CB C 13 32.735 0.12 . . . . . . A 254 ARG CB . 30629 1 821 . 1 1 87 87 ARG CG C 13 27.000 0.00 . . . . . . A 254 ARG CG . 30629 1 822 . 1 1 87 87 ARG CD C 13 43.698 0.03 . . . . . . A 254 ARG CD . 30629 1 823 . 1 1 87 87 ARG N N 15 133.671 0.02 . . . . . . A 254 ARG N . 30629 1 824 . 1 1 88 88 ILE H H 1 8.413 0.00 . . . . . . A 255 ILE H . 30629 1 825 . 1 1 88 88 ILE HA H 1 5.042 0.00 . . . . . . A 255 ILE HA . 30629 1 826 . 1 1 88 88 ILE HB H 1 1.912 0.00 . . . . . . A 255 ILE HB . 30629 1 827 . 1 1 88 88 ILE HG12 H 1 1.159 0.00 . . . . . . A 255 ILE HG12 . 30629 1 828 . 1 1 88 88 ILE HG13 H 1 1.493 0.00 . . . . . . A 255 ILE HG13 . 30629 1 829 . 1 1 88 88 ILE HG21 H 1 0.989 0.00 . . . . . . A 255 ILE HG21 . 30629 1 830 . 1 1 88 88 ILE HG22 H 1 0.989 0.00 . . . . . . A 255 ILE HG22 . 30629 1 831 . 1 1 88 88 ILE HG23 H 1 0.989 0.00 . . . . . . A 255 ILE HG23 . 30629 1 832 . 1 1 88 88 ILE HD11 H 1 0.629 0.00 . . . . . . A 255 ILE HD11 . 30629 1 833 . 1 1 88 88 ILE HD12 H 1 0.629 0.00 . . . . . . A 255 ILE HD12 . 30629 1 834 . 1 1 88 88 ILE HD13 H 1 0.629 0.00 . . . . . . A 255 ILE HD13 . 30629 1 835 . 1 1 88 88 ILE C C 13 176.950 0.00 . . . . . . A 255 ILE C . 30629 1 836 . 1 1 88 88 ILE CA C 13 59.155 0.09 . . . . . . A 255 ILE CA . 30629 1 837 . 1 1 88 88 ILE CB C 13 36.715 0.05 . . . . . . A 255 ILE CB . 30629 1 838 . 1 1 88 88 ILE CG1 C 13 27.490 0.05 . . . . . . A 255 ILE CG1 . 30629 1 839 . 1 1 88 88 ILE CG2 C 13 17.315 0.00 . . . . . . A 255 ILE CG2 . 30629 1 840 . 1 1 88 88 ILE CD1 C 13 11.083 0.03 . . . . . . A 255 ILE CD1 . 30629 1 841 . 1 1 88 88 ILE N N 15 126.224 0.00 . . . . . . A 255 ILE N . 30629 1 842 . 1 1 89 89 THR H H 1 8.416 0.00 . . . . . . A 256 THR H . 30629 1 843 . 1 1 89 89 THR HB H 1 4.322 0.00 . . . . . . A 256 THR HB . 30629 1 844 . 1 1 89 89 THR HG21 H 1 0.955 0.00 . . . . . . A 256 THR HG21 . 30629 1 845 . 1 1 89 89 THR HG22 H 1 0.955 0.00 . . . . . . A 256 THR HG22 . 30629 1 846 . 1 1 89 89 THR HG23 H 1 0.955 0.00 . . . . . . A 256 THR HG23 . 30629 1 847 . 1 1 89 89 THR CA C 13 62.198 0.05 . . . . . . A 256 THR CA . 30629 1 848 . 1 1 89 89 THR CB C 13 70.255 0.11 . . . . . . A 256 THR CB . 30629 1 849 . 1 1 89 89 THR CG2 C 13 22.203 0.05 . . . . . . A 256 THR CG2 . 30629 1 850 . 1 1 89 89 THR N N 15 126.963 0.01 . . . . . . A 256 THR N . 30629 1 stop_ save_