data_30636 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30636 _Entry.Title ; Structural Basis for Client Recognition and Activity of Hsp40 Chaperones ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-10 _Entry.Accession_date 2019-07-10 _Entry.Last_release_date 2019-08-07 _Entry.Original_release_date 2019-08-07 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30636 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. . . . 30636 2 P. Rossi P. . . . 30636 3 C. Kalodimos C. G. . . 30636 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 30636 'Client Recognition' . 30636 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30636 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 352 30636 '15N chemical shifts' 80 30636 '1H chemical shifts' 538 30636 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 . 30636 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6PRP . 30636 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30636 _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. . . . 30636 1 2 P. Rossi P. . . . 30636 1 3 C. Kalodimos C. G. . . 30636 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30636 _Assembly.ID 1 _Assembly.Name 'Chaperone protein DnaK,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 . . . . . . 30636 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30636 _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 ; MDDVIDADYKPADGSGGSGG SGGSQDLYATLDVPAPIAVV GGKVRAMTLEGPVEVAVPPR TQAGRKLRLKGKGFPGPAGR GDLYLEVRIT ; _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 90 _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 9176.394 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1 167 MET . 30636 1 2 168 ASP . 30636 1 3 169 ASP . 30636 1 4 170 VAL . 30636 1 5 171 ILE . 30636 1 6 172 ASP . 30636 1 7 173 ALA . 30636 1 8 174 ASP . 30636 1 9 175 TYR . 30636 1 10 176 LYS . 30636 1 11 177 PRO . 30636 1 12 178 ALA . 30636 1 13 179 ASP . 30636 1 14 180 GLY . 30636 1 15 181 SER . 30636 1 16 182 GLY . 30636 1 17 183 GLY . 30636 1 18 184 SER . 30636 1 19 185 GLY . 30636 1 20 186 GLY . 30636 1 21 187 SER . 30636 1 22 188 GLY . 30636 1 23 189 GLY . 30636 1 24 190 SER . 30636 1 25 191 GLN . 30636 1 26 192 ASP . 30636 1 27 193 LEU . 30636 1 28 194 TYR . 30636 1 29 195 ALA . 30636 1 30 196 THR . 30636 1 31 197 LEU . 30636 1 32 198 ASP . 30636 1 33 199 VAL . 30636 1 34 200 PRO . 30636 1 35 201 ALA . 30636 1 36 202 PRO . 30636 1 37 203 ILE . 30636 1 38 204 ALA . 30636 1 39 205 VAL . 30636 1 40 206 VAL . 30636 1 41 207 GLY . 30636 1 42 208 GLY . 30636 1 43 209 LYS . 30636 1 44 210 VAL . 30636 1 45 211 ARG . 30636 1 46 212 ALA . 30636 1 47 213 MET . 30636 1 48 214 THR . 30636 1 49 215 LEU . 30636 1 50 216 GLU . 30636 1 51 217 GLY . 30636 1 52 218 PRO . 30636 1 53 219 VAL . 30636 1 54 220 GLU . 30636 1 55 221 VAL . 30636 1 56 222 ALA . 30636 1 57 223 VAL . 30636 1 58 224 PRO . 30636 1 59 225 PRO . 30636 1 60 226 ARG . 30636 1 61 227 THR . 30636 1 62 228 GLN . 30636 1 63 229 ALA . 30636 1 64 230 GLY . 30636 1 65 231 ARG . 30636 1 66 232 LYS . 30636 1 67 233 LEU . 30636 1 68 234 ARG . 30636 1 69 235 LEU . 30636 1 70 236 LYS . 30636 1 71 237 GLY . 30636 1 72 238 LYS . 30636 1 73 239 GLY . 30636 1 74 240 PHE . 30636 1 75 241 PRO . 30636 1 76 242 GLY . 30636 1 77 243 PRO . 30636 1 78 244 ALA . 30636 1 79 245 GLY . 30636 1 80 246 ARG . 30636 1 81 247 GLY . 30636 1 82 248 ASP . 30636 1 83 249 LEU . 30636 1 84 250 TYR . 30636 1 85 251 LEU . 30636 1 86 252 GLU . 30636 1 87 253 VAL . 30636 1 88 254 ARG . 30636 1 89 255 ILE . 30636 1 90 256 THR . 30636 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 30636 1 . ASP 2 2 30636 1 . ASP 3 3 30636 1 . VAL 4 4 30636 1 . ILE 5 5 30636 1 . ASP 6 6 30636 1 . ALA 7 7 30636 1 . ASP 8 8 30636 1 . TYR 9 9 30636 1 . LYS 10 10 30636 1 . PRO 11 11 30636 1 . ALA 12 12 30636 1 . ASP 13 13 30636 1 . GLY 14 14 30636 1 . SER 15 15 30636 1 . GLY 16 16 30636 1 . GLY 17 17 30636 1 . SER 18 18 30636 1 . GLY 19 19 30636 1 . GLY 20 20 30636 1 . SER 21 21 30636 1 . GLY 22 22 30636 1 . GLY 23 23 30636 1 . SER 24 24 30636 1 . GLN 25 25 30636 1 . ASP 26 26 30636 1 . LEU 27 27 30636 1 . TYR 28 28 30636 1 . ALA 29 29 30636 1 . THR 30 30 30636 1 . LEU 31 31 30636 1 . ASP 32 32 30636 1 . VAL 33 33 30636 1 . PRO 34 34 30636 1 . ALA 35 35 30636 1 . PRO 36 36 30636 1 . ILE 37 37 30636 1 . ALA 38 38 30636 1 . VAL 39 39 30636 1 . VAL 40 40 30636 1 . GLY 41 41 30636 1 . GLY 42 42 30636 1 . LYS 43 43 30636 1 . VAL 44 44 30636 1 . ARG 45 45 30636 1 . ALA 46 46 30636 1 . MET 47 47 30636 1 . THR 48 48 30636 1 . LEU 49 49 30636 1 . GLU 50 50 30636 1 . GLY 51 51 30636 1 . PRO 52 52 30636 1 . VAL 53 53 30636 1 . GLU 54 54 30636 1 . VAL 55 55 30636 1 . ALA 56 56 30636 1 . VAL 57 57 30636 1 . PRO 58 58 30636 1 . PRO 59 59 30636 1 . ARG 60 60 30636 1 . THR 61 61 30636 1 . GLN 62 62 30636 1 . ALA 63 63 30636 1 . GLY 64 64 30636 1 . ARG 65 65 30636 1 . LYS 66 66 30636 1 . LEU 67 67 30636 1 . ARG 68 68 30636 1 . LEU 69 69 30636 1 . LYS 70 70 30636 1 . GLY 71 71 30636 1 . LYS 72 72 30636 1 . GLY 73 73 30636 1 . PHE 74 74 30636 1 . PRO 75 75 30636 1 . GLY 76 76 30636 1 . PRO 77 77 30636 1 . ALA 78 78 30636 1 . GLY 79 79 30636 1 . ARG 80 80 30636 1 . GLY 81 81 30636 1 . ASP 82 82 30636 1 . LEU 83 83 30636 1 . TYR 84 84 30636 1 . LEU 85 85 30636 1 . GLU 86 86 30636 1 . VAL 87 87 30636 1 . ARG 88 88 30636 1 . ILE 89 89 30636 1 . THR 90 90 30636 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 30636 _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 . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . 30636 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' . 30636 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 30636 _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) . . . . . . . . . 30636 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30636 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-100% 13C; U-100% 15N] DnaK-ctail-CBD2, 75 mM potassium chloride, 20 mM potassium phosphate, 0.04 % sodium azide, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DnaK-ctail-CBD2 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 30636 1 2 'potassium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 30636 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 30636 1 4 'sodium azide' 'natural abundance' . . . . . . 0.04 . . % . . . . 30636 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 30636 _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 30636 1 pH 7 . pH 30636 1 pressure 1 . atm 30636 1 temperature 298 . K 30636 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30636 _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' . . 30636 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30636 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30636 _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' . . 30636 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 30636 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30636 _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' . . 30636 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30636 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30636 _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 . . 30636 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'peak picking' 30636 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30636 _Software.ID 5 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30636 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30636 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30636 _Software.ID 6 _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' . . 30636 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 30636 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 30636 _Software.ID 7 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30636 7 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30636 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 30636 _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' . . 30636 8 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 30636 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 30636 _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 30636 _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 . . . 30636 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 30636 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30636 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30636 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30636 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30636 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30636 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30636 1 7 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30636 1 8 '3D CaroCH-noesy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30636 1 9 '3D CCH-noesy' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30636 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30636 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30636 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 30636 _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 . . . . . 30636 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30636 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30636 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 30636 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30636 1 2 '2D 1H-13C HSQC' . . . 30636 1 3 '3D HNCACB' . . . 30636 1 4 '3D HNCO' . . . 30636 1 5 '3D HBHA(CO)NH' . . . 30636 1 6 '3D H(CCO)NH' . . . 30636 1 7 '3D CCH-TOCSY' . . . 30636 1 8 '3D CaroCH-noesy' . . . 30636 1 9 '3D CCH-noesy' . . . 30636 1 10 '3D 1H-13C NOESY' . . . 30636 1 11 '3D 1H-15N NOESY' . . . 30636 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.475 0.00 . . . . . . A 167 MET HA . 30636 1 2 . 1 1 1 1 MET HB2 H 1 2.295 0.01 . . . . . . A 167 MET HB2 . 30636 1 3 . 1 1 1 1 MET HB3 H 1 1.934 0.01 . . . . . . A 167 MET HB3 . 30636 1 4 . 1 1 1 1 MET C C 13 175.868 0.00 . . . . . . A 167 MET C . 30636 1 5 . 1 1 1 1 MET CA C 13 55.270 0.05 . . . . . . A 167 MET CA . 30636 1 6 . 1 1 1 1 MET CB C 13 32.111 0.09 . . . . . . A 167 MET CB . 30636 1 7 . 1 1 2 2 ASP H H 1 8.231 0.00 . . . . . . A 168 ASP H . 30636 1 8 . 1 1 2 2 ASP HA H 1 4.587 0.01 . . . . . . A 168 ASP HA . 30636 1 9 . 1 1 2 2 ASP HB2 H 1 2.653 0.01 . . . . . . A 168 ASP HB2 . 30636 1 10 . 1 1 2 2 ASP CA C 13 54.860 0.12 . . . . . . A 168 ASP CA . 30636 1 11 . 1 1 2 2 ASP CB C 13 41.251 0.03 . . . . . . A 168 ASP CB . 30636 1 12 . 1 1 2 2 ASP N N 15 120.488 0.02 . . . . . . A 168 ASP N . 30636 1 13 . 1 1 3 3 ASP H H 1 8.362 0.00 . . . . . . A 169 ASP H . 30636 1 14 . 1 1 3 3 ASP HA H 1 4.647 0.01 . . . . . . A 169 ASP HA . 30636 1 15 . 1 1 3 3 ASP HB2 H 1 2.823 0.00 . . . . . . A 169 ASP HB2 . 30636 1 16 . 1 1 3 3 ASP HB3 H 1 2.653 0.01 . . . . . . A 169 ASP HB3 . 30636 1 17 . 1 1 3 3 ASP C C 13 174.989 0.00 . . . . . . A 169 ASP C . 30636 1 18 . 1 1 3 3 ASP CA C 13 54.228 0.07 . . . . . . A 169 ASP CA . 30636 1 19 . 1 1 3 3 ASP CB C 13 40.770 0.07 . . . . . . A 169 ASP CB . 30636 1 20 . 1 1 3 3 ASP N N 15 120.269 0.03 . . . . . . A 169 ASP N . 30636 1 21 . 1 1 4 4 VAL H H 1 7.910 0.00 . . . . . . A 170 VAL H . 30636 1 22 . 1 1 4 4 VAL HA H 1 4.848 0.01 . . . . . . A 170 VAL HA . 30636 1 23 . 1 1 4 4 VAL HB H 1 2.033 0.00 . . . . . . A 170 VAL HB . 30636 1 24 . 1 1 4 4 VAL HG11 H 1 1.040 0.01 . . . . . . A 170 VAL HG11 . 30636 1 25 . 1 1 4 4 VAL HG12 H 1 1.040 0.01 . . . . . . A 170 VAL HG12 . 30636 1 26 . 1 1 4 4 VAL HG13 H 1 1.040 0.01 . . . . . . A 170 VAL HG13 . 30636 1 27 . 1 1 4 4 VAL HG21 H 1 0.942 0.01 . . . . . . A 170 VAL HG21 . 30636 1 28 . 1 1 4 4 VAL HG22 H 1 0.942 0.01 . . . . . . A 170 VAL HG22 . 30636 1 29 . 1 1 4 4 VAL HG23 H 1 0.942 0.01 . . . . . . A 170 VAL HG23 . 30636 1 30 . 1 1 4 4 VAL C C 13 175.412 0.00 . . . . . . A 170 VAL C . 30636 1 31 . 1 1 4 4 VAL CA C 13 61.336 0.04 . . . . . . A 170 VAL CA . 30636 1 32 . 1 1 4 4 VAL CB C 13 33.895 0.05 . . . . . . A 170 VAL CB . 30636 1 33 . 1 1 4 4 VAL CG1 C 13 21.914 0.04 . . . . . . A 170 VAL CG1 . 30636 1 34 . 1 1 4 4 VAL CG2 C 13 21.757 0.05 . . . . . . A 170 VAL CG2 . 30636 1 35 . 1 1 4 4 VAL N N 15 121.651 0.02 . . . . . . A 170 VAL N . 30636 1 36 . 1 1 5 5 ILE H H 1 8.595 0.01 . . . . . . A 171 ILE H . 30636 1 37 . 1 1 5 5 ILE HA H 1 4.522 0.01 . . . . . . A 171 ILE HA . 30636 1 38 . 1 1 5 5 ILE HB H 1 1.834 0.00 . . . . . . A 171 ILE HB . 30636 1 39 . 1 1 5 5 ILE HG12 H 1 1.200 0.01 . . . . . . A 171 ILE HG12 . 30636 1 40 . 1 1 5 5 ILE HG13 H 1 1.505 0.00 . . . . . . A 171 ILE HG13 . 30636 1 41 . 1 1 5 5 ILE HG21 H 1 0.882 0.01 . . . . . . A 171 ILE HG21 . 30636 1 42 . 1 1 5 5 ILE HG22 H 1 0.882 0.01 . . . . . . A 171 ILE HG22 . 30636 1 43 . 1 1 5 5 ILE HG23 H 1 0.882 0.01 . . . . . . A 171 ILE HG23 . 30636 1 44 . 1 1 5 5 ILE HD11 H 1 0.863 0.00 . . . . . . A 171 ILE HD11 . 30636 1 45 . 1 1 5 5 ILE HD12 H 1 0.863 0.00 . . . . . . A 171 ILE HD12 . 30636 1 46 . 1 1 5 5 ILE HD13 H 1 0.863 0.00 . . . . . . A 171 ILE HD13 . 30636 1 47 . 1 1 5 5 ILE C C 13 174.721 0.00 . . . . . . A 171 ILE C . 30636 1 48 . 1 1 5 5 ILE CA C 13 59.132 0.06 . . . . . . A 171 ILE CA . 30636 1 49 . 1 1 5 5 ILE CB C 13 41.477 0.05 . . . . . . A 171 ILE CB . 30636 1 50 . 1 1 5 5 ILE CG1 C 13 27.408 0.05 . . . . . . A 171 ILE CG1 . 30636 1 51 . 1 1 5 5 ILE CG2 C 13 17.381 0.02 . . . . . . A 171 ILE CG2 . 30636 1 52 . 1 1 5 5 ILE CD1 C 13 13.457 0.03 . . . . . . A 171 ILE CD1 . 30636 1 53 . 1 1 5 5 ILE N N 15 125.866 0.04 . . . . . . A 171 ILE N . 30636 1 54 . 1 1 6 6 ASP H H 1 8.667 0.01 . . . . . . A 172 ASP H . 30636 1 55 . 1 1 6 6 ASP HA H 1 5.091 0.01 . . . . . . A 172 ASP HA . 30636 1 56 . 1 1 6 6 ASP HB2 H 1 2.604 0.01 . . . . . . A 172 ASP HB2 . 30636 1 57 . 1 1 6 6 ASP HB3 H 1 2.566 0.01 . . . . . . A 172 ASP HB3 . 30636 1 58 . 1 1 6 6 ASP C C 13 175.352 0.00 . . . . . . A 172 ASP C . 30636 1 59 . 1 1 6 6 ASP CA C 13 55.450 0.06 . . . . . . A 172 ASP CA . 30636 1 60 . 1 1 6 6 ASP CB C 13 40.902 0.12 . . . . . . A 172 ASP CB . 30636 1 61 . 1 1 6 6 ASP N N 15 127.047 0.03 . . . . . . A 172 ASP N . 30636 1 62 . 1 1 7 7 ALA H H 1 8.598 0.00 . . . . . . A 173 ALA H . 30636 1 63 . 1 1 7 7 ALA HA H 1 4.158 0.01 . . . . . . A 173 ALA HA . 30636 1 64 . 1 1 7 7 ALA HB1 H 1 1.279 0.01 . . . . . . A 173 ALA HB1 . 30636 1 65 . 1 1 7 7 ALA HB2 H 1 1.279 0.01 . . . . . . A 173 ALA HB2 . 30636 1 66 . 1 1 7 7 ALA HB3 H 1 1.279 0.01 . . . . . . A 173 ALA HB3 . 30636 1 67 . 1 1 7 7 ALA C C 13 176.237 0.00 . . . . . . A 173 ALA C . 30636 1 68 . 1 1 7 7 ALA CA C 13 51.030 0.08 . . . . . . A 173 ALA CA . 30636 1 69 . 1 1 7 7 ALA CB C 13 21.550 0.04 . . . . . . A 173 ALA CB . 30636 1 70 . 1 1 7 7 ALA N N 15 127.816 0.04 . . . . . . A 173 ALA N . 30636 1 71 . 1 1 8 8 ASP H H 1 9.025 0.00 . . . . . . A 174 ASP H . 30636 1 72 . 1 1 8 8 ASP HA H 1 4.808 0.01 . . . . . . A 174 ASP HA . 30636 1 73 . 1 1 8 8 ASP HB2 H 1 2.598 0.01 . . . . . . A 174 ASP HB2 . 30636 1 74 . 1 1 8 8 ASP HB3 H 1 2.715 0.02 . . . . . . A 174 ASP HB3 . 30636 1 75 . 1 1 8 8 ASP C C 13 174.598 0.00 . . . . . . A 174 ASP C . 30636 1 76 . 1 1 8 8 ASP CA C 13 53.821 0.04 . . . . . . A 174 ASP CA . 30636 1 77 . 1 1 8 8 ASP CB C 13 42.093 0.05 . . . . . . A 174 ASP CB . 30636 1 78 . 1 1 8 8 ASP N N 15 122.362 0.03 . . . . . . A 174 ASP N . 30636 1 79 . 1 1 9 9 TYR H H 1 7.854 0.01 . . . . . . A 175 TYR H . 30636 1 80 . 1 1 9 9 TYR HA H 1 5.620 0.01 . . . . . . A 175 TYR HA . 30636 1 81 . 1 1 9 9 TYR HB2 H 1 2.777 0.01 . . . . . . A 175 TYR HB2 . 30636 1 82 . 1 1 9 9 TYR HB3 H 1 2.608 0.01 . . . . . . A 175 TYR HB3 . 30636 1 83 . 1 1 9 9 TYR HD1 H 1 6.840 0.00 . . . . . . A 175 TYR HD1 . 30636 1 84 . 1 1 9 9 TYR HD2 H 1 6.836 0.00 . . . . . . A 175 TYR HD2 . 30636 1 85 . 1 1 9 9 TYR HE1 H 1 6.851 0.00 . . . . . . A 175 TYR HE1 . 30636 1 86 . 1 1 9 9 TYR HE2 H 1 6.856 0.00 . . . . . . A 175 TYR HE2 . 30636 1 87 . 1 1 9 9 TYR C C 13 173.154 0.00 . . . . . . A 175 TYR C . 30636 1 88 . 1 1 9 9 TYR CA C 13 55.526 0.05 . . . . . . A 175 TYR CA . 30636 1 89 . 1 1 9 9 TYR CB C 13 41.767 0.13 . . . . . . A 175 TYR CB . 30636 1 90 . 1 1 9 9 TYR CD1 C 13 133.337 0.04 . . . . . . A 175 TYR CD1 . 30636 1 91 . 1 1 9 9 TYR CD2 C 13 133.181 0.00 . . . . . . A 175 TYR CD2 . 30636 1 92 . 1 1 9 9 TYR CE1 C 13 118.036 0.00 . . . . . . A 175 TYR CE1 . 30636 1 93 . 1 1 9 9 TYR CE2 C 13 118.002 0.00 . . . . . . A 175 TYR CE2 . 30636 1 94 . 1 1 9 9 TYR N N 15 116.848 0.02 . . . . . . A 175 TYR N . 30636 1 95 . 1 1 10 10 LYS H H 1 8.358 0.01 . . . . . . A 176 LYS H . 30636 1 96 . 1 1 10 10 LYS HA H 1 4.813 0.01 . . . . . . A 176 LYS HA . 30636 1 97 . 1 1 10 10 LYS HB2 H 1 1.826 0.01 . . . . . . A 176 LYS HB2 . 30636 1 98 . 1 1 10 10 LYS HB3 H 1 1.713 0.01 . . . . . . A 176 LYS HB3 . 30636 1 99 . 1 1 10 10 LYS HG2 H 1 1.410 0.01 . . . . . . A 176 LYS HG2 . 30636 1 100 . 1 1 10 10 LYS HD2 H 1 1.637 0.01 . . . . . . A 176 LYS HD2 . 30636 1 101 . 1 1 10 10 LYS HD3 H 1 1.679 0.00 . . . . . . A 176 LYS HD3 . 30636 1 102 . 1 1 10 10 LYS HE3 H 1 2.959 0.00 . . . . . . A 176 LYS HE3 . 30636 1 103 . 1 1 10 10 LYS CA C 13 53.162 0.05 . . . . . . A 176 LYS CA . 30636 1 104 . 1 1 10 10 LYS CB C 13 34.947 0.03 . . . . . . A 176 LYS CB . 30636 1 105 . 1 1 10 10 LYS CG C 13 23.872 0.03 . . . . . . A 176 LYS CG . 30636 1 106 . 1 1 10 10 LYS CD C 13 29.056 0.05 . . . . . . A 176 LYS CD . 30636 1 107 . 1 1 10 10 LYS CE C 13 42.102 0.02 . . . . . . A 176 LYS CE . 30636 1 108 . 1 1 10 10 LYS N N 15 118.930 0.05 . . . . . . A 176 LYS N . 30636 1 109 . 1 1 11 11 PRO HA H 1 4.516 0.01 . . . . . . A 177 PRO HA . 30636 1 110 . 1 1 11 11 PRO HB2 H 1 2.464 0.01 . . . . . . A 177 PRO HB2 . 30636 1 111 . 1 1 11 11 PRO HB3 H 1 1.914 0.01 . . . . . . A 177 PRO HB3 . 30636 1 112 . 1 1 11 11 PRO HG2 H 1 2.170 0.00 . . . . . . A 177 PRO HG2 . 30636 1 113 . 1 1 11 11 PRO HG3 H 1 2.007 0.01 . . . . . . A 177 PRO HG3 . 30636 1 114 . 1 1 11 11 PRO HD2 H 1 3.636 0.01 . . . . . . A 177 PRO HD2 . 30636 1 115 . 1 1 11 11 PRO HD3 H 1 3.817 0.01 . . . . . . A 177 PRO HD3 . 30636 1 116 . 1 1 11 11 PRO C C 13 175.581 0.00 . . . . . . A 177 PRO C . 30636 1 117 . 1 1 11 11 PRO CA C 13 63.844 0.06 . . . . . . A 177 PRO CA . 30636 1 118 . 1 1 11 11 PRO CB C 13 32.153 0.06 . . . . . . A 177 PRO CB . 30636 1 119 . 1 1 11 11 PRO CG C 13 27.998 0.10 . . . . . . A 177 PRO CG . 30636 1 120 . 1 1 11 11 PRO CD C 13 50.887 0.07 . . . . . . A 177 PRO CD . 30636 1 121 . 1 1 12 12 ALA H H 1 8.053 0.00 . . . . . . A 178 ALA H . 30636 1 122 . 1 1 12 12 ALA HA H 1 4.519 0.01 . . . . . . A 178 ALA HA . 30636 1 123 . 1 1 12 12 ALA HB1 H 1 1.170 0.00 . . . . . . A 178 ALA HB1 . 30636 1 124 . 1 1 12 12 ALA HB2 H 1 1.170 0.00 . . . . . . A 178 ALA HB2 . 30636 1 125 . 1 1 12 12 ALA HB3 H 1 1.170 0.00 . . . . . . A 178 ALA HB3 . 30636 1 126 . 1 1 12 12 ALA CA C 13 50.898 0.03 . . . . . . A 178 ALA CA . 30636 1 127 . 1 1 12 12 ALA CB C 13 20.084 0.07 . . . . . . A 178 ALA CB . 30636 1 128 . 1 1 12 12 ALA N N 15 125.804 0.02 . . . . . . A 178 ALA N . 30636 1 129 . 1 1 13 13 ASP H H 1 8.398 0.00 . . . . . . A 179 ASP H . 30636 1 130 . 1 1 13 13 ASP HA H 1 4.602 0.00 . . . . . . A 179 ASP HA . 30636 1 131 . 1 1 13 13 ASP HB2 H 1 2.698 0.00 . . . . . . A 179 ASP HB2 . 30636 1 132 . 1 1 13 13 ASP C C 13 176.878 0.00 . . . . . . A 179 ASP C . 30636 1 133 . 1 1 13 13 ASP CA C 13 54.066 0.05 . . . . . . A 179 ASP CA . 30636 1 134 . 1 1 13 13 ASP CB C 13 41.683 0.04 . . . . . . A 179 ASP CB . 30636 1 135 . 1 1 13 13 ASP N N 15 120.303 0.01 . . . . . . A 179 ASP N . 30636 1 136 . 1 1 14 14 GLY H H 1 8.446 0.01 . . . . . . A 180 GLY H . 30636 1 137 . 1 1 14 14 GLY HA3 H 1 4.035 0.01 . . . . . . A 180 GLY HA3 . 30636 1 138 . 1 1 14 14 GLY CA C 13 45.465 0.15 . . . . . . A 180 GLY CA . 30636 1 139 . 1 1 14 14 GLY N N 15 109.588 0.03 . . . . . . A 180 GLY N . 30636 1 140 . 1 1 15 15 SER H H 1 8.362 0.00 . . . . . . A 181 SER H . 30636 1 141 . 1 1 15 15 SER HA H 1 4.512 0.00 . . . . . . A 181 SER HA . 30636 1 142 . 1 1 15 15 SER HB2 H 1 3.913 0.01 . . . . . . A 181 SER HB2 . 30636 1 143 . 1 1 15 15 SER HB3 H 1 3.871 0.00 . . . . . . A 181 SER HB3 . 30636 1 144 . 1 1 15 15 SER CA C 13 58.454 0.13 . . . . . . A 181 SER CA . 30636 1 145 . 1 1 15 15 SER CB C 13 63.945 0.01 . . . . . . A 181 SER CB . 30636 1 146 . 1 1 15 15 SER N N 15 115.506 0.02 . . . . . . A 181 SER N . 30636 1 147 . 1 1 16 16 GLY H H 1 8.618 0.00 . . . . . . A 182 GLY H . 30636 1 148 . 1 1 16 16 GLY HA3 H 1 4.050 0.01 . . . . . . A 182 GLY HA3 . 30636 1 149 . 1 1 16 16 GLY CA C 13 45.337 0.00 . . . . . . A 182 GLY CA . 30636 1 150 . 1 1 16 16 GLY N N 15 111.055 0.01 . . . . . . A 182 GLY N . 30636 1 151 . 1 1 17 17 GLY H H 1 8.335 0.00 . . . . . . A 183 GLY H . 30636 1 152 . 1 1 17 17 GLY N N 15 108.894 0.00 . . . . . . A 183 GLY N . 30636 1 153 . 1 1 18 18 SER HA H 1 4.519 0.00 . . . . . . A 184 SER HA . 30636 1 154 . 1 1 18 18 SER HB3 H 1 3.881 0.00 . . . . . . A 184 SER HB3 . 30636 1 155 . 1 1 18 18 SER CA C 13 58.477 0.09 . . . . . . A 184 SER CA . 30636 1 156 . 1 1 18 18 SER CB C 13 64.127 0.08 . . . . . . A 184 SER CB . 30636 1 157 . 1 1 19 19 GLY H H 1 8.617 0.00 . . . . . . A 185 GLY H . 30636 1 158 . 1 1 19 19 GLY C C 13 174.530 0.00 . . . . . . A 185 GLY C . 30636 1 159 . 1 1 19 19 GLY CA C 13 45.348 0.00 . . . . . . A 185 GLY CA . 30636 1 160 . 1 1 19 19 GLY N N 15 111.063 0.00 . . . . . . A 185 GLY N . 30636 1 161 . 1 1 20 20 GLY H H 1 8.333 0.00 . . . . . . A 186 GLY H . 30636 1 162 . 1 1 20 20 GLY C C 13 174.166 0.00 . . . . . . A 186 GLY C . 30636 1 163 . 1 1 20 20 GLY CA C 13 44.016 0.00 . . . . . . A 186 GLY CA . 30636 1 164 . 1 1 20 20 GLY N N 15 108.949 0.02 . . . . . . A 186 GLY N . 30636 1 165 . 1 1 21 21 SER H H 1 8.358 0.00 . . . . . . A 187 SER H . 30636 1 166 . 1 1 21 21 SER C C 13 175.068 0.00 . . . . . . A 187 SER C . 30636 1 167 . 1 1 21 21 SER CA C 13 58.415 0.05 . . . . . . A 187 SER CA . 30636 1 168 . 1 1 21 21 SER CB C 13 64.209 0.03 . . . . . . A 187 SER CB . 30636 1 169 . 1 1 21 21 SER N N 15 115.415 0.11 . . . . . . A 187 SER N . 30636 1 170 . 1 1 22 22 GLY H H 1 8.617 0.00 . . . . . . A 188 GLY H . 30636 1 171 . 1 1 22 22 GLY HA2 H 1 3.995 0.00 . . . . . . A 188 GLY HA2 . 30636 1 172 . 1 1 22 22 GLY C C 13 174.589 0.00 . . . . . . A 188 GLY C . 30636 1 173 . 1 1 22 22 GLY CA C 13 45.912 0.21 . . . . . . A 188 GLY CA . 30636 1 174 . 1 1 22 22 GLY N N 15 111.082 0.02 . . . . . . A 188 GLY N . 30636 1 175 . 1 1 23 23 GLY H H 1 8.284 0.00 . . . . . . A 189 GLY H . 30636 1 176 . 1 1 23 23 GLY HA2 H 1 4.034 0.00 . . . . . . A 189 GLY HA2 . 30636 1 177 . 1 1 23 23 GLY C C 13 174.281 0.00 . . . . . . A 189 GLY C . 30636 1 178 . 1 1 23 23 GLY CA C 13 45.314 0.03 . . . . . . A 189 GLY CA . 30636 1 179 . 1 1 23 23 GLY N N 15 108.612 0.02 . . . . . . A 189 GLY N . 30636 1 180 . 1 1 24 24 SER H H 1 8.402 0.00 . . . . . . A 190 SER H . 30636 1 181 . 1 1 24 24 SER HA H 1 4.527 0.01 . . . . . . A 190 SER HA . 30636 1 182 . 1 1 24 24 SER HB2 H 1 4.033 0.01 . . . . . . A 190 SER HB2 . 30636 1 183 . 1 1 24 24 SER C C 13 175.335 0.00 . . . . . . A 190 SER C . 30636 1 184 . 1 1 24 24 SER CA C 13 58.758 0.10 . . . . . . A 190 SER CA . 30636 1 185 . 1 1 24 24 SER CB C 13 63.923 0.07 . . . . . . A 190 SER CB . 30636 1 186 . 1 1 24 24 SER N N 15 115.720 0.04 . . . . . . A 190 SER N . 30636 1 187 . 1 1 25 25 GLN H H 1 8.791 0.00 . . . . . . A 191 GLN H . 30636 1 188 . 1 1 25 25 GLN HA H 1 4.672 0.01 . . . . . . A 191 GLN HA . 30636 1 189 . 1 1 25 25 GLN HB2 H 1 2.507 0.01 . . . . . . A 191 GLN HB2 . 30636 1 190 . 1 1 25 25 GLN HB3 H 1 2.047 0.01 . . . . . . A 191 GLN HB3 . 30636 1 191 . 1 1 25 25 GLN HG2 H 1 2.431 0.02 . . . . . . A 191 GLN HG2 . 30636 1 192 . 1 1 25 25 GLN HG3 H 1 2.371 0.01 . . . . . . A 191 GLN HG3 . 30636 1 193 . 1 1 25 25 GLN C C 13 175.032 0.00 . . . . . . A 191 GLN C . 30636 1 194 . 1 1 25 25 GLN CA C 13 56.226 0.04 . . . . . . A 191 GLN CA . 30636 1 195 . 1 1 25 25 GLN CB C 13 30.029 0.07 . . . . . . A 191 GLN CB . 30636 1 196 . 1 1 25 25 GLN CG C 13 34.891 0.04 . . . . . . A 191 GLN CG . 30636 1 197 . 1 1 25 25 GLN N N 15 122.015 0.04 . . . . . . A 191 GLN N . 30636 1 198 . 1 1 26 26 ASP H H 1 8.116 0.00 . . . . . . A 192 ASP H . 30636 1 199 . 1 1 26 26 ASP HA H 1 5.431 0.00 . . . . . . A 192 ASP HA . 30636 1 200 . 1 1 26 26 ASP HB2 H 1 2.821 0.01 . . . . . . A 192 ASP HB2 . 30636 1 201 . 1 1 26 26 ASP C C 13 174.611 0.00 . . . . . . A 192 ASP C . 30636 1 202 . 1 1 26 26 ASP CA C 13 54.337 0.05 . . . . . . A 192 ASP CA . 30636 1 203 . 1 1 26 26 ASP N N 15 122.107 0.03 . . . . . . A 192 ASP N . 30636 1 204 . 1 1 27 27 LEU H H 1 8.403 0.00 . . . . . . A 193 LEU H . 30636 1 205 . 1 1 27 27 LEU HA H 1 5.006 0.01 . . . . . . A 193 LEU HA . 30636 1 206 . 1 1 27 27 LEU HB2 H 1 1.393 0.01 . . . . . . A 193 LEU HB2 . 30636 1 207 . 1 1 27 27 LEU HB3 H 1 1.246 0.01 . . . . . . A 193 LEU HB3 . 30636 1 208 . 1 1 27 27 LEU HG H 1 1.208 0.00 . . . . . . A 193 LEU HG . 30636 1 209 . 1 1 27 27 LEU HD11 H 1 0.467 0.01 . . . . . . A 193 LEU HD11 . 30636 1 210 . 1 1 27 27 LEU HD12 H 1 0.467 0.01 . . . . . . A 193 LEU HD12 . 30636 1 211 . 1 1 27 27 LEU HD13 H 1 0.467 0.01 . . . . . . A 193 LEU HD13 . 30636 1 212 . 1 1 27 27 LEU HD21 H 1 0.399 0.01 . . . . . . A 193 LEU HD21 . 30636 1 213 . 1 1 27 27 LEU HD22 H 1 0.399 0.01 . . . . . . A 193 LEU HD22 . 30636 1 214 . 1 1 27 27 LEU HD23 H 1 0.399 0.01 . . . . . . A 193 LEU HD23 . 30636 1 215 . 1 1 27 27 LEU C C 13 174.483 0.00 . . . . . . A 193 LEU C . 30636 1 216 . 1 1 27 27 LEU CA C 13 53.226 0.05 . . . . . . A 193 LEU CA . 30636 1 217 . 1 1 27 27 LEU CB C 13 47.680 0.04 . . . . . . A 193 LEU CB . 30636 1 218 . 1 1 27 27 LEU CG C 13 26.542 0.05 . . . . . . A 193 LEU CG . 30636 1 219 . 1 1 27 27 LEU CD1 C 13 24.945 0.04 . . . . . . A 193 LEU CD1 . 30636 1 220 . 1 1 27 27 LEU CD2 C 13 24.200 0.02 . . . . . . A 193 LEU CD2 . 30636 1 221 . 1 1 27 27 LEU N N 15 121.075 0.05 . . . . . . A 193 LEU N . 30636 1 222 . 1 1 28 28 TYR H H 1 9.083 0.01 . . . . . . A 194 TYR H . 30636 1 223 . 1 1 28 28 TYR HA H 1 5.616 0.00 . . . . . . A 194 TYR HA . 30636 1 224 . 1 1 28 28 TYR HB2 H 1 2.934 0.01 . . . . . . A 194 TYR HB2 . 30636 1 225 . 1 1 28 28 TYR HD1 H 1 7.051 0.00 . . . . . . A 194 TYR HD1 . 30636 1 226 . 1 1 28 28 TYR HD2 H 1 7.050 0.00 . . . . . . A 194 TYR HD2 . 30636 1 227 . 1 1 28 28 TYR HE1 H 1 6.372 0.00 . . . . . . A 194 TYR HE1 . 30636 1 228 . 1 1 28 28 TYR HE2 H 1 6.366 0.00 . . . . . . A 194 TYR HE2 . 30636 1 229 . 1 1 28 28 TYR C C 13 174.093 0.00 . . . . . . A 194 TYR C . 30636 1 230 . 1 1 28 28 TYR CA C 13 56.766 0.03 . . . . . . A 194 TYR CA . 30636 1 231 . 1 1 28 28 TYR CD1 C 13 133.181 0.00 . . . . . . A 194 TYR CD1 . 30636 1 232 . 1 1 28 28 TYR CD2 C 13 133.185 0.00 . . . . . . A 194 TYR CD2 . 30636 1 233 . 1 1 28 28 TYR CE1 C 13 117.723 0.00 . . . . . . A 194 TYR CE1 . 30636 1 234 . 1 1 28 28 TYR CE2 C 13 117.737 0.00 . . . . . . A 194 TYR CE2 . 30636 1 235 . 1 1 28 28 TYR N N 15 121.348 0.03 . . . . . . A 194 TYR N . 30636 1 236 . 1 1 29 29 ALA H H 1 8.971 0.01 . . . . . . A 195 ALA H . 30636 1 237 . 1 1 29 29 ALA HA H 1 5.000 0.01 . . . . . . A 195 ALA HA . 30636 1 238 . 1 1 29 29 ALA HB1 H 1 1.630 0.01 . . . . . . A 195 ALA HB1 . 30636 1 239 . 1 1 29 29 ALA HB2 H 1 1.630 0.01 . . . . . . A 195 ALA HB2 . 30636 1 240 . 1 1 29 29 ALA HB3 H 1 1.630 0.01 . . . . . . A 195 ALA HB3 . 30636 1 241 . 1 1 29 29 ALA C C 13 176.394 0.00 . . . . . . A 195 ALA C . 30636 1 242 . 1 1 29 29 ALA CA C 13 51.082 0.06 . . . . . . A 195 ALA CA . 30636 1 243 . 1 1 29 29 ALA CB C 13 22.961 0.06 . . . . . . A 195 ALA CB . 30636 1 244 . 1 1 29 29 ALA N N 15 123.187 0.04 . . . . . . A 195 ALA N . 30636 1 245 . 1 1 30 30 THR H H 1 8.885 0.00 . . . . . . A 196 THR H . 30636 1 246 . 1 1 30 30 THR HA H 1 4.940 0.01 . . . . . . A 196 THR HA . 30636 1 247 . 1 1 30 30 THR HB H 1 4.039 0.00 . . . . . . A 196 THR HB . 30636 1 248 . 1 1 30 30 THR HG21 H 1 1.193 0.01 . . . . . . A 196 THR HG21 . 30636 1 249 . 1 1 30 30 THR HG22 H 1 1.193 0.01 . . . . . . A 196 THR HG22 . 30636 1 250 . 1 1 30 30 THR HG23 H 1 1.193 0.01 . . . . . . A 196 THR HG23 . 30636 1 251 . 1 1 30 30 THR C C 13 173.176 0.00 . . . . . . A 196 THR C . 30636 1 252 . 1 1 30 30 THR CA C 13 62.285 0.07 . . . . . . A 196 THR CA . 30636 1 253 . 1 1 30 30 THR CB C 13 70.833 0.04 . . . . . . A 196 THR CB . 30636 1 254 . 1 1 30 30 THR CG2 C 13 22.477 0.03 . . . . . . A 196 THR CG2 . 30636 1 255 . 1 1 30 30 THR N N 15 114.960 0.02 . . . . . . A 196 THR N . 30636 1 256 . 1 1 31 31 LEU H H 1 8.861 0.00 . . . . . . A 197 LEU H . 30636 1 257 . 1 1 31 31 LEU HA H 1 4.696 0.01 . . . . . . A 197 LEU HA . 30636 1 258 . 1 1 31 31 LEU HB2 H 1 1.619 0.01 . . . . . . A 197 LEU HB2 . 30636 1 259 . 1 1 31 31 LEU HB3 H 1 1.199 0.01 . . . . . . A 197 LEU HB3 . 30636 1 260 . 1 1 31 31 LEU HG H 1 1.292 0.01 . . . . . . A 197 LEU HG . 30636 1 261 . 1 1 31 31 LEU HD11 H 1 0.589 0.01 . . . . . . A 197 LEU HD11 . 30636 1 262 . 1 1 31 31 LEU HD12 H 1 0.589 0.01 . . . . . . A 197 LEU HD12 . 30636 1 263 . 1 1 31 31 LEU HD13 H 1 0.589 0.01 . . . . . . A 197 LEU HD13 . 30636 1 264 . 1 1 31 31 LEU HD21 H 1 0.963 0.00 . . . . . . A 197 LEU HD21 . 30636 1 265 . 1 1 31 31 LEU HD22 H 1 0.963 0.00 . . . . . . A 197 LEU HD22 . 30636 1 266 . 1 1 31 31 LEU HD23 H 1 0.963 0.00 . . . . . . A 197 LEU HD23 . 30636 1 267 . 1 1 31 31 LEU C C 13 173.537 0.00 . . . . . . A 197 LEU C . 30636 1 268 . 1 1 31 31 LEU CA C 13 53.186 0.04 . . . . . . A 197 LEU CA . 30636 1 269 . 1 1 31 31 LEU CB C 13 46.990 0.03 . . . . . . A 197 LEU CB . 30636 1 270 . 1 1 31 31 LEU CG C 13 26.764 0.10 . . . . . . A 197 LEU CG . 30636 1 271 . 1 1 31 31 LEU CD1 C 13 26.252 0.05 . . . . . . A 197 LEU CD1 . 30636 1 272 . 1 1 31 31 LEU CD2 C 13 24.013 0.02 . . . . . . A 197 LEU CD2 . 30636 1 273 . 1 1 31 31 LEU N N 15 127.296 0.04 . . . . . . A 197 LEU N . 30636 1 274 . 1 1 32 32 ASP H H 1 8.619 0.01 . . . . . . A 198 ASP H . 30636 1 275 . 1 1 32 32 ASP HA H 1 5.171 0.01 . . . . . . A 198 ASP HA . 30636 1 276 . 1 1 32 32 ASP HB2 H 1 2.516 0.00 . . . . . . A 198 ASP HB2 . 30636 1 277 . 1 1 32 32 ASP HB3 H 1 2.648 0.01 . . . . . . A 198 ASP HB3 . 30636 1 278 . 1 1 32 32 ASP C C 13 175.827 0.00 . . . . . . A 198 ASP C . 30636 1 279 . 1 1 32 32 ASP CA C 13 54.251 0.03 . . . . . . A 198 ASP CA . 30636 1 280 . 1 1 32 32 ASP CB C 13 40.695 0.05 . . . . . . A 198 ASP CB . 30636 1 281 . 1 1 32 32 ASP N N 15 129.821 0.03 . . . . . . A 198 ASP N . 30636 1 282 . 1 1 33 33 VAL H H 1 9.248 0.01 . . . . . . A 199 VAL H . 30636 1 283 . 1 1 33 33 VAL HA H 1 4.527 0.01 . . . . . . A 199 VAL HA . 30636 1 284 . 1 1 33 33 VAL HB H 1 1.941 0.01 . . . . . . A 199 VAL HB . 30636 1 285 . 1 1 33 33 VAL HG11 H 1 0.887 0.00 . . . . . . A 199 VAL HG11 . 30636 1 286 . 1 1 33 33 VAL HG12 H 1 0.887 0.00 . . . . . . A 199 VAL HG12 . 30636 1 287 . 1 1 33 33 VAL HG13 H 1 0.887 0.00 . . . . . . A 199 VAL HG13 . 30636 1 288 . 1 1 33 33 VAL HG21 H 1 0.826 0.01 . . . . . . A 199 VAL HG21 . 30636 1 289 . 1 1 33 33 VAL HG22 H 1 0.826 0.01 . . . . . . A 199 VAL HG22 . 30636 1 290 . 1 1 33 33 VAL HG23 H 1 0.826 0.01 . . . . . . A 199 VAL HG23 . 30636 1 291 . 1 1 33 33 VAL CA C 13 58.685 0.05 . . . . . . A 199 VAL CA . 30636 1 292 . 1 1 33 33 VAL CB C 13 34.905 0.04 . . . . . . A 199 VAL CB . 30636 1 293 . 1 1 33 33 VAL CG1 C 13 22.980 0.04 . . . . . . A 199 VAL CG1 . 30636 1 294 . 1 1 33 33 VAL CG2 C 13 21.933 0.05 . . . . . . A 199 VAL CG2 . 30636 1 295 . 1 1 33 33 VAL N N 15 124.903 0.03 . . . . . . A 199 VAL N . 30636 1 296 . 1 1 34 34 PRO HA H 1 4.680 0.00 . . . . . . A 200 PRO HA . 30636 1 297 . 1 1 34 34 PRO HB2 H 1 2.501 0.01 . . . . . . A 200 PRO HB2 . 30636 1 298 . 1 1 34 34 PRO HB3 H 1 1.784 0.01 . . . . . . A 200 PRO HB3 . 30636 1 299 . 1 1 34 34 PRO HG2 H 1 2.157 0.01 . . . . . . A 200 PRO HG2 . 30636 1 300 . 1 1 34 34 PRO HG3 H 1 1.953 0.00 . . . . . . A 200 PRO HG3 . 30636 1 301 . 1 1 34 34 PRO HD2 H 1 3.960 0.01 . . . . . . A 200 PRO HD2 . 30636 1 302 . 1 1 34 34 PRO HD3 H 1 3.395 0.00 . . . . . . A 200 PRO HD3 . 30636 1 303 . 1 1 34 34 PRO CA C 13 62.459 0.04 . . . . . . A 200 PRO CA . 30636 1 304 . 1 1 34 34 PRO CB C 13 33.232 0.02 . . . . . . A 200 PRO CB . 30636 1 305 . 1 1 34 34 PRO CG C 13 28.184 0.06 . . . . . . A 200 PRO CG . 30636 1 306 . 1 1 34 34 PRO CD C 13 51.225 0.01 . . . . . . A 200 PRO CD . 30636 1 307 . 1 1 35 35 ALA H H 1 9.030 0.00 . . . . . . A 201 ALA H . 30636 1 308 . 1 1 35 35 ALA HA H 1 4.192 0.01 . . . . . . A 201 ALA HA . 30636 1 309 . 1 1 35 35 ALA HB1 H 1 1.473 0.01 . . . . . . A 201 ALA HB1 . 30636 1 310 . 1 1 35 35 ALA HB2 H 1 1.473 0.01 . . . . . . A 201 ALA HB2 . 30636 1 311 . 1 1 35 35 ALA HB3 H 1 1.473 0.01 . . . . . . A 201 ALA HB3 . 30636 1 312 . 1 1 35 35 ALA CA C 13 57.161 0.03 . . . . . . A 201 ALA CA . 30636 1 313 . 1 1 35 35 ALA CB C 13 16.140 0.03 . . . . . . A 201 ALA CB . 30636 1 314 . 1 1 35 35 ALA N N 15 127.268 0.02 . . . . . . A 201 ALA N . 30636 1 315 . 1 1 36 36 PRO HA H 1 4.363 0.00 . . . . . . A 202 PRO HA . 30636 1 316 . 1 1 36 36 PRO HB2 H 1 2.381 0.00 . . . . . . A 202 PRO HB2 . 30636 1 317 . 1 1 36 36 PRO HB3 H 1 1.825 0.01 . . . . . . A 202 PRO HB3 . 30636 1 318 . 1 1 36 36 PRO HD2 H 1 3.572 0.01 . . . . . . A 202 PRO HD2 . 30636 1 319 . 1 1 36 36 PRO HD3 H 1 3.879 0.00 . . . . . . A 202 PRO HD3 . 30636 1 320 . 1 1 36 36 PRO C C 13 179.837 0.00 . . . . . . A 202 PRO C . 30636 1 321 . 1 1 36 36 PRO CA C 13 66.197 0.04 . . . . . . A 202 PRO CA . 30636 1 322 . 1 1 36 36 PRO CB C 13 31.444 0.05 . . . . . . A 202 PRO CB . 30636 1 323 . 1 1 36 36 PRO CG C 13 28.506 0.10 . . . . . . A 202 PRO CG . 30636 1 324 . 1 1 36 36 PRO CD C 13 50.367 0.06 . . . . . . A 202 PRO CD . 30636 1 325 . 1 1 37 37 ILE H H 1 7.123 0.00 . . . . . . A 203 ILE H . 30636 1 326 . 1 1 37 37 ILE HA H 1 3.600 0.00 . . . . . . A 203 ILE HA . 30636 1 327 . 1 1 37 37 ILE HB H 1 1.893 0.01 . . . . . . A 203 ILE HB . 30636 1 328 . 1 1 37 37 ILE HG12 H 1 1.223 0.01 . . . . . . A 203 ILE HG12 . 30636 1 329 . 1 1 37 37 ILE HG13 H 1 1.235 0.00 . . . . . . A 203 ILE HG13 . 30636 1 330 . 1 1 37 37 ILE HG21 H 1 0.516 0.01 . . . . . . A 203 ILE HG21 . 30636 1 331 . 1 1 37 37 ILE HG22 H 1 0.516 0.01 . . . . . . A 203 ILE HG22 . 30636 1 332 . 1 1 37 37 ILE HG23 H 1 0.516 0.01 . . . . . . A 203 ILE HG23 . 30636 1 333 . 1 1 37 37 ILE HD11 H 1 0.837 0.00 . . . . . . A 203 ILE HD11 . 30636 1 334 . 1 1 37 37 ILE HD12 H 1 0.837 0.00 . . . . . . A 203 ILE HD12 . 30636 1 335 . 1 1 37 37 ILE HD13 H 1 0.837 0.00 . . . . . . A 203 ILE HD13 . 30636 1 336 . 1 1 37 37 ILE C C 13 176.741 0.00 . . . . . . A 203 ILE C . 30636 1 337 . 1 1 37 37 ILE CA C 13 62.623 0.02 . . . . . . A 203 ILE CA . 30636 1 338 . 1 1 37 37 ILE CB C 13 36.626 0.05 . . . . . . A 203 ILE CB . 30636 1 339 . 1 1 37 37 ILE CG1 C 13 28.639 0.04 . . . . . . A 203 ILE CG1 . 30636 1 340 . 1 1 37 37 ILE CG2 C 13 16.253 0.02 . . . . . . A 203 ILE CG2 . 30636 1 341 . 1 1 37 37 ILE CD1 C 13 11.894 0.05 . . . . . . A 203 ILE CD1 . 30636 1 342 . 1 1 37 37 ILE N N 15 116.586 0.06 . . . . . . A 203 ILE N . 30636 1 343 . 1 1 38 38 ALA H H 1 7.587 0.00 . . . . . . A 204 ALA H . 30636 1 344 . 1 1 38 38 ALA HA H 1 3.773 0.01 . . . . . . A 204 ALA HA . 30636 1 345 . 1 1 38 38 ALA HB1 H 1 1.421 0.01 . . . . . . A 204 ALA HB1 . 30636 1 346 . 1 1 38 38 ALA HB2 H 1 1.421 0.01 . . . . . . A 204 ALA HB2 . 30636 1 347 . 1 1 38 38 ALA HB3 H 1 1.421 0.01 . . . . . . A 204 ALA HB3 . 30636 1 348 . 1 1 38 38 ALA C C 13 177.772 0.00 . . . . . . A 204 ALA C . 30636 1 349 . 1 1 38 38 ALA CA C 13 55.057 0.03 . . . . . . A 204 ALA CA . 30636 1 350 . 1 1 38 38 ALA CB C 13 17.422 0.04 . . . . . . A 204 ALA CB . 30636 1 351 . 1 1 38 38 ALA N N 15 121.933 0.06 . . . . . . A 204 ALA N . 30636 1 352 . 1 1 39 39 VAL H H 1 7.291 0.01 . . . . . . A 205 VAL H . 30636 1 353 . 1 1 39 39 VAL HA H 1 3.770 0.00 . . . . . . A 205 VAL HA . 30636 1 354 . 1 1 39 39 VAL HB H 1 2.116 0.01 . . . . . . A 205 VAL HB . 30636 1 355 . 1 1 39 39 VAL HG11 H 1 1.084 0.01 . . . . . . A 205 VAL HG11 . 30636 1 356 . 1 1 39 39 VAL HG12 H 1 1.084 0.01 . . . . . . A 205 VAL HG12 . 30636 1 357 . 1 1 39 39 VAL HG13 H 1 1.084 0.01 . . . . . . A 205 VAL HG13 . 30636 1 358 . 1 1 39 39 VAL HG21 H 1 0.972 0.01 . . . . . . A 205 VAL HG21 . 30636 1 359 . 1 1 39 39 VAL HG22 H 1 0.972 0.01 . . . . . . A 205 VAL HG22 . 30636 1 360 . 1 1 39 39 VAL HG23 H 1 0.972 0.01 . . . . . . A 205 VAL HG23 . 30636 1 361 . 1 1 39 39 VAL C C 13 179.407 0.00 . . . . . . A 205 VAL C . 30636 1 362 . 1 1 39 39 VAL CA C 13 66.985 0.03 . . . . . . A 205 VAL CA . 30636 1 363 . 1 1 39 39 VAL CB C 13 32.342 0.05 . . . . . . A 205 VAL CB . 30636 1 364 . 1 1 39 39 VAL CG1 C 13 22.360 0.03 . . . . . . A 205 VAL CG1 . 30636 1 365 . 1 1 39 39 VAL CG2 C 13 21.294 0.03 . . . . . . A 205 VAL CG2 . 30636 1 366 . 1 1 39 39 VAL N N 15 111.868 0.04 . . . . . . A 205 VAL N . 30636 1 367 . 1 1 40 40 VAL H H 1 7.266 0.00 . . . . . . A 206 VAL H . 30636 1 368 . 1 1 40 40 VAL HA H 1 4.285 0.01 . . . . . . A 206 VAL HA . 30636 1 369 . 1 1 40 40 VAL HB H 1 2.354 0.00 . . . . . . A 206 VAL HB . 30636 1 370 . 1 1 40 40 VAL HG11 H 1 1.165 0.00 . . . . . . A 206 VAL HG11 . 30636 1 371 . 1 1 40 40 VAL HG12 H 1 1.165 0.00 . . . . . . A 206 VAL HG12 . 30636 1 372 . 1 1 40 40 VAL HG13 H 1 1.165 0.00 . . . . . . A 206 VAL HG13 . 30636 1 373 . 1 1 40 40 VAL HG21 H 1 1.089 0.01 . . . . . . A 206 VAL HG21 . 30636 1 374 . 1 1 40 40 VAL HG22 H 1 1.089 0.01 . . . . . . A 206 VAL HG22 . 30636 1 375 . 1 1 40 40 VAL HG23 H 1 1.089 0.01 . . . . . . A 206 VAL HG23 . 30636 1 376 . 1 1 40 40 VAL C C 13 177.353 0.00 . . . . . . A 206 VAL C . 30636 1 377 . 1 1 40 40 VAL CA C 13 63.041 0.04 . . . . . . A 206 VAL CA . 30636 1 378 . 1 1 40 40 VAL CB C 13 33.266 0.05 . . . . . . A 206 VAL CB . 30636 1 379 . 1 1 40 40 VAL CG1 C 13 19.622 0.05 . . . . . . A 206 VAL CG1 . 30636 1 380 . 1 1 40 40 VAL CG2 C 13 22.033 0.06 . . . . . . A 206 VAL CG2 . 30636 1 381 . 1 1 40 40 VAL N N 15 113.065 0.02 . . . . . . A 206 VAL N . 30636 1 382 . 1 1 41 41 GLY H H 1 8.390 0.00 . . . . . . A 207 GLY H . 30636 1 383 . 1 1 41 41 GLY HA2 H 1 4.128 0.00 . . . . . . A 207 GLY HA2 . 30636 1 384 . 1 1 41 41 GLY HA3 H 1 4.129 0.01 . . . . . . A 207 GLY HA3 . 30636 1 385 . 1 1 41 41 GLY C C 13 172.507 0.00 . . . . . . A 207 GLY C . 30636 1 386 . 1 1 41 41 GLY CA C 13 43.902 0.06 . . . . . . A 207 GLY CA . 30636 1 387 . 1 1 41 41 GLY N N 15 114.005 0.03 . . . . . . A 207 GLY N . 30636 1 388 . 1 1 42 42 GLY H H 1 8.020 0.00 . . . . . . A 208 GLY H . 30636 1 389 . 1 1 42 42 GLY HA2 H 1 3.930 0.01 . . . . . . A 208 GLY HA2 . 30636 1 390 . 1 1 42 42 GLY HA3 H 1 4.152 0.01 . . . . . . A 208 GLY HA3 . 30636 1 391 . 1 1 42 42 GLY CA C 13 45.529 0.05 . . . . . . A 208 GLY CA . 30636 1 392 . 1 1 42 42 GLY N N 15 104.866 0.03 . . . . . . A 208 GLY N . 30636 1 393 . 1 1 43 43 LYS H H 1 8.402 0.00 . . . . . . A 209 LYS H . 30636 1 394 . 1 1 43 43 LYS HA H 1 5.379 0.00 . . . . . . A 209 LYS HA . 30636 1 395 . 1 1 43 43 LYS HB2 H 1 1.532 0.01 . . . . . . A 209 LYS HB2 . 30636 1 396 . 1 1 43 43 LYS HB3 H 1 1.652 0.01 . . . . . . A 209 LYS HB3 . 30636 1 397 . 1 1 43 43 LYS HG2 H 1 1.384 0.01 . . . . . . A 209 LYS HG2 . 30636 1 398 . 1 1 43 43 LYS HG3 H 1 1.269 0.01 . . . . . . A 209 LYS HG3 . 30636 1 399 . 1 1 43 43 LYS HD2 H 1 1.481 0.01 . . . . . . A 209 LYS HD2 . 30636 1 400 . 1 1 43 43 LYS HD3 H 1 1.576 0.00 . . . . . . A 209 LYS HD3 . 30636 1 401 . 1 1 43 43 LYS HE2 H 1 2.956 0.00 . . . . . . A 209 LYS HE2 . 30636 1 402 . 1 1 43 43 LYS C C 13 176.264 0.00 . . . . . . A 209 LYS C . 30636 1 403 . 1 1 43 43 LYS CA C 13 55.041 0.05 . . . . . . A 209 LYS CA . 30636 1 404 . 1 1 43 43 LYS CB C 13 34.962 0.04 . . . . . . A 209 LYS CB . 30636 1 405 . 1 1 43 43 LYS CG C 13 24.944 0.04 . . . . . . A 209 LYS CG . 30636 1 406 . 1 1 43 43 LYS CD C 13 29.173 0.04 . . . . . . A 209 LYS CD . 30636 1 407 . 1 1 43 43 LYS CE C 13 42.164 0.08 . . . . . . A 209 LYS CE . 30636 1 408 . 1 1 43 43 LYS N N 15 120.349 0.02 . . . . . . A 209 LYS N . 30636 1 409 . 1 1 44 44 VAL H H 1 8.651 0.01 . . . . . . A 210 VAL H . 30636 1 410 . 1 1 44 44 VAL HA H 1 4.562 0.00 . . . . . . A 210 VAL HA . 30636 1 411 . 1 1 44 44 VAL HB H 1 2.107 0.01 . . . . . . A 210 VAL HB . 30636 1 412 . 1 1 44 44 VAL HG11 H 1 0.869 0.00 . . . . . . A 210 VAL HG11 . 30636 1 413 . 1 1 44 44 VAL HG12 H 1 0.869 0.00 . . . . . . A 210 VAL HG12 . 30636 1 414 . 1 1 44 44 VAL HG13 H 1 0.869 0.00 . . . . . . A 210 VAL HG13 . 30636 1 415 . 1 1 44 44 VAL HG21 H 1 1.089 0.00 . . . . . . A 210 VAL HG21 . 30636 1 416 . 1 1 44 44 VAL HG22 H 1 1.089 0.00 . . . . . . A 210 VAL HG22 . 30636 1 417 . 1 1 44 44 VAL HG23 H 1 1.089 0.00 . . . . . . A 210 VAL HG23 . 30636 1 418 . 1 1 44 44 VAL C C 13 174.139 0.00 . . . . . . A 210 VAL C . 30636 1 419 . 1 1 44 44 VAL CA C 13 59.934 0.04 . . . . . . A 210 VAL CA . 30636 1 420 . 1 1 44 44 VAL CB C 13 36.013 0.07 . . . . . . A 210 VAL CB . 30636 1 421 . 1 1 44 44 VAL CG1 C 13 21.095 0.04 . . . . . . A 210 VAL CG1 . 30636 1 422 . 1 1 44 44 VAL CG2 C 13 22.353 0.04 . . . . . . A 210 VAL CG2 . 30636 1 423 . 1 1 44 44 VAL N N 15 117.085 0.03 . . . . . . A 210 VAL N . 30636 1 424 . 1 1 45 45 ARG H H 1 8.547 0.00 . . . . . . A 211 ARG H . 30636 1 425 . 1 1 45 45 ARG HA H 1 5.107 0.01 . . . . . . A 211 ARG HA . 30636 1 426 . 1 1 45 45 ARG HB2 H 1 1.765 0.01 . . . . . . A 211 ARG HB2 . 30636 1 427 . 1 1 45 45 ARG HG2 H 1 1.608 0.01 . . . . . . A 211 ARG HG2 . 30636 1 428 . 1 1 45 45 ARG HG3 H 1 1.486 0.01 . . . . . . A 211 ARG HG3 . 30636 1 429 . 1 1 45 45 ARG HD2 H 1 3.156 0.02 . . . . . . A 211 ARG HD2 . 30636 1 430 . 1 1 45 45 ARG HD3 H 1 3.145 0.00 . . . . . . A 211 ARG HD3 . 30636 1 431 . 1 1 45 45 ARG C C 13 175.047 0.00 . . . . . . A 211 ARG C . 30636 1 432 . 1 1 45 45 ARG CA C 13 55.717 0.04 . . . . . . A 211 ARG CA . 30636 1 433 . 1 1 45 45 ARG CB C 13 31.704 0.08 . . . . . . A 211 ARG CB . 30636 1 434 . 1 1 45 45 ARG CG C 13 28.272 0.09 . . . . . . A 211 ARG CG . 30636 1 435 . 1 1 45 45 ARG CD C 13 43.467 0.04 . . . . . . A 211 ARG CD . 30636 1 436 . 1 1 45 45 ARG N N 15 124.373 0.03 . . . . . . A 211 ARG N . 30636 1 437 . 1 1 46 46 ALA H H 1 9.011 0.00 . . . . . . A 212 ALA H . 30636 1 438 . 1 1 46 46 ALA HA H 1 4.670 0.00 . . . . . . A 212 ALA HA . 30636 1 439 . 1 1 46 46 ALA HB1 H 1 1.120 0.01 . . . . . . A 212 ALA HB1 . 30636 1 440 . 1 1 46 46 ALA HB2 H 1 1.120 0.01 . . . . . . A 212 ALA HB2 . 30636 1 441 . 1 1 46 46 ALA HB3 H 1 1.120 0.01 . . . . . . A 212 ALA HB3 . 30636 1 442 . 1 1 46 46 ALA C C 13 175.861 0.00 . . . . . . A 212 ALA C . 30636 1 443 . 1 1 46 46 ALA CA C 13 50.369 0.04 . . . . . . A 212 ALA CA . 30636 1 444 . 1 1 46 46 ALA CB C 13 23.063 0.07 . . . . . . A 212 ALA CB . 30636 1 445 . 1 1 46 46 ALA N N 15 124.777 0.04 . . . . . . A 212 ALA N . 30636 1 446 . 1 1 47 47 MET H H 1 8.348 0.01 . . . . . . A 213 MET H . 30636 1 447 . 1 1 47 47 MET HA H 1 4.695 0.01 . . . . . . A 213 MET HA . 30636 1 448 . 1 1 47 47 MET HB2 H 1 1.632 0.01 . . . . . . A 213 MET HB2 . 30636 1 449 . 1 1 47 47 MET HB3 H 1 1.437 0.01 . . . . . . A 213 MET HB3 . 30636 1 450 . 1 1 47 47 MET HG2 H 1 2.399 0.00 . . . . . . A 213 MET HG2 . 30636 1 451 . 1 1 47 47 MET HG3 H 1 2.106 0.01 . . . . . . A 213 MET HG3 . 30636 1 452 . 1 1 47 47 MET HE1 H 1 2.007 0.01 . . . . . . A 213 MET HE1 . 30636 1 453 . 1 1 47 47 MET HE2 H 1 2.007 0.01 . . . . . . A 213 MET HE2 . 30636 1 454 . 1 1 47 47 MET HE3 H 1 2.007 0.01 . . . . . . A 213 MET HE3 . 30636 1 455 . 1 1 47 47 MET C C 13 173.531 0.00 . . . . . . A 213 MET C . 30636 1 456 . 1 1 47 47 MET CA C 13 53.460 0.04 . . . . . . A 213 MET CA . 30636 1 457 . 1 1 47 47 MET CB C 13 32.255 0.07 . . . . . . A 213 MET CB . 30636 1 458 . 1 1 47 47 MET CG C 13 32.402 0.02 . . . . . . A 213 MET CG . 30636 1 459 . 1 1 47 47 MET CE C 13 16.377 0.03 . . . . . . A 213 MET CE . 30636 1 460 . 1 1 47 47 MET N N 15 120.273 0.04 . . . . . . A 213 MET N . 30636 1 461 . 1 1 48 48 THR H H 1 6.781 0.01 . . . . . . A 214 THR H . 30636 1 462 . 1 1 48 48 THR HA H 1 4.318 0.01 . . . . . . A 214 THR HA . 30636 1 463 . 1 1 48 48 THR HB H 1 4.767 0.01 . . . . . . A 214 THR HB . 30636 1 464 . 1 1 48 48 THR HG21 H 1 0.779 0.01 . . . . . . A 214 THR HG21 . 30636 1 465 . 1 1 48 48 THR HG22 H 1 0.779 0.01 . . . . . . A 214 THR HG22 . 30636 1 466 . 1 1 48 48 THR HG23 H 1 0.779 0.01 . . . . . . A 214 THR HG23 . 30636 1 467 . 1 1 48 48 THR C C 13 175.213 0.00 . . . . . . A 214 THR C . 30636 1 468 . 1 1 48 48 THR CA C 13 59.813 0.03 . . . . . . A 214 THR CA . 30636 1 469 . 1 1 48 48 THR CB C 13 71.920 0.07 . . . . . . A 214 THR CB . 30636 1 470 . 1 1 48 48 THR CG2 C 13 22.296 0.07 . . . . . . A 214 THR CG2 . 30636 1 471 . 1 1 48 48 THR N N 15 109.404 0.05 . . . . . . A 214 THR N . 30636 1 472 . 1 1 49 49 LEU H H 1 9.271 0.01 . . . . . . A 215 LEU H . 30636 1 473 . 1 1 49 49 LEU HA H 1 4.031 0.00 . . . . . . A 215 LEU HA . 30636 1 474 . 1 1 49 49 LEU HB2 H 1 1.862 0.02 . . . . . . A 215 LEU HB2 . 30636 1 475 . 1 1 49 49 LEU HB3 H 1 1.695 0.01 . . . . . . A 215 LEU HB3 . 30636 1 476 . 1 1 49 49 LEU HG H 1 1.727 0.01 . . . . . . A 215 LEU HG . 30636 1 477 . 1 1 49 49 LEU HD11 H 1 0.886 0.00 . . . . . . A 215 LEU HD11 . 30636 1 478 . 1 1 49 49 LEU HD12 H 1 0.886 0.00 . . . . . . A 215 LEU HD12 . 30636 1 479 . 1 1 49 49 LEU HD13 H 1 0.886 0.00 . . . . . . A 215 LEU HD13 . 30636 1 480 . 1 1 49 49 LEU HD21 H 1 0.922 0.00 . . . . . . A 215 LEU HD21 . 30636 1 481 . 1 1 49 49 LEU HD22 H 1 0.922 0.00 . . . . . . A 215 LEU HD22 . 30636 1 482 . 1 1 49 49 LEU HD23 H 1 0.922 0.00 . . . . . . A 215 LEU HD23 . 30636 1 483 . 1 1 49 49 LEU C C 13 177.420 0.00 . . . . . . A 215 LEU C . 30636 1 484 . 1 1 49 49 LEU CA C 13 58.334 0.09 . . . . . . A 215 LEU CA . 30636 1 485 . 1 1 49 49 LEU CB C 13 40.807 0.04 . . . . . . A 215 LEU CB . 30636 1 486 . 1 1 49 49 LEU CG C 13 27.703 0.08 . . . . . . A 215 LEU CG . 30636 1 487 . 1 1 49 49 LEU CD1 C 13 24.798 0.13 . . . . . . A 215 LEU CD1 . 30636 1 488 . 1 1 49 49 LEU CD2 C 13 24.252 0.02 . . . . . . A 215 LEU CD2 . 30636 1 489 . 1 1 49 49 LEU N N 15 121.201 0.03 . . . . . . A 215 LEU N . 30636 1 490 . 1 1 50 50 GLU H H 1 7.681 0.00 . . . . . . A 216 GLU H . 30636 1 491 . 1 1 50 50 GLU HA H 1 4.316 0.00 . . . . . . A 216 GLU HA . 30636 1 492 . 1 1 50 50 GLU HB2 H 1 2.188 0.01 . . . . . . A 216 GLU HB2 . 30636 1 493 . 1 1 50 50 GLU HB3 H 1 1.808 0.01 . . . . . . A 216 GLU HB3 . 30636 1 494 . 1 1 50 50 GLU HG2 H 1 2.104 0.02 . . . . . . A 216 GLU HG2 . 30636 1 495 . 1 1 50 50 GLU HG3 H 1 2.476 0.00 . . . . . . A 216 GLU HG3 . 30636 1 496 . 1 1 50 50 GLU C C 13 175.625 0.00 . . . . . . A 216 GLU C . 30636 1 497 . 1 1 50 50 GLU CA C 13 57.398 0.05 . . . . . . A 216 GLU CA . 30636 1 498 . 1 1 50 50 GLU CB C 13 29.578 0.05 . . . . . . A 216 GLU CB . 30636 1 499 . 1 1 50 50 GLU CG C 13 37.697 0.06 . . . . . . A 216 GLU CG . 30636 1 500 . 1 1 50 50 GLU N N 15 114.841 0.03 . . . . . . A 216 GLU N . 30636 1 501 . 1 1 51 51 GLY H H 1 7.194 0.01 . . . . . . A 217 GLY H . 30636 1 502 . 1 1 51 51 GLY HA3 H 1 3.743 0.01 . . . . . . A 217 GLY HA3 . 30636 1 503 . 1 1 51 51 GLY CA C 13 44.090 0.06 . . . . . . A 217 GLY CA . 30636 1 504 . 1 1 51 51 GLY N N 15 107.530 0.04 . . . . . . A 217 GLY N . 30636 1 505 . 1 1 52 52 PRO HA H 1 5.117 0.00 . . . . . . A 218 PRO HA . 30636 1 506 . 1 1 52 52 PRO HB2 H 1 1.749 0.01 . . . . . . A 218 PRO HB2 . 30636 1 507 . 1 1 52 52 PRO HB3 H 1 2.167 0.02 . . . . . . A 218 PRO HB3 . 30636 1 508 . 1 1 52 52 PRO HG2 H 1 1.959 0.00 . . . . . . A 218 PRO HG2 . 30636 1 509 . 1 1 52 52 PRO HD2 H 1 3.746 0.01 . . . . . . A 218 PRO HD2 . 30636 1 510 . 1 1 52 52 PRO HD3 H 1 3.514 0.01 . . . . . . A 218 PRO HD3 . 30636 1 511 . 1 1 52 52 PRO C C 13 177.255 0.00 . . . . . . A 218 PRO C . 30636 1 512 . 1 1 52 52 PRO CA C 13 62.891 0.03 . . . . . . A 218 PRO CA . 30636 1 513 . 1 1 52 52 PRO CB C 13 32.291 0.06 . . . . . . A 218 PRO CB . 30636 1 514 . 1 1 52 52 PRO CG C 13 27.322 0.02 . . . . . . A 218 PRO CG . 30636 1 515 . 1 1 52 52 PRO CD C 13 49.654 0.03 . . . . . . A 218 PRO CD . 30636 1 516 . 1 1 53 53 VAL H H 1 9.082 0.01 . . . . . . A 219 VAL H . 30636 1 517 . 1 1 53 53 VAL HA H 1 5.002 0.01 . . . . . . A 219 VAL HA . 30636 1 518 . 1 1 53 53 VAL HB H 1 2.108 0.00 . . . . . . A 219 VAL HB . 30636 1 519 . 1 1 53 53 VAL HG11 H 1 0.459 0.01 . . . . . . A 219 VAL HG11 . 30636 1 520 . 1 1 53 53 VAL HG12 H 1 0.459 0.01 . . . . . . A 219 VAL HG12 . 30636 1 521 . 1 1 53 53 VAL HG13 H 1 0.459 0.01 . . . . . . A 219 VAL HG13 . 30636 1 522 . 1 1 53 53 VAL HG21 H 1 0.770 0.00 . . . . . . A 219 VAL HG21 . 30636 1 523 . 1 1 53 53 VAL HG22 H 1 0.770 0.00 . . . . . . A 219 VAL HG22 . 30636 1 524 . 1 1 53 53 VAL HG23 H 1 0.770 0.00 . . . . . . A 219 VAL HG23 . 30636 1 525 . 1 1 53 53 VAL C C 13 174.092 0.00 . . . . . . A 219 VAL C . 30636 1 526 . 1 1 53 53 VAL CA C 13 58.722 0.05 . . . . . . A 219 VAL CA . 30636 1 527 . 1 1 53 53 VAL CB C 13 36.177 0.06 . . . . . . A 219 VAL CB . 30636 1 528 . 1 1 53 53 VAL CG1 C 13 18.412 0.03 . . . . . . A 219 VAL CG1 . 30636 1 529 . 1 1 53 53 VAL CG2 C 13 22.171 0.05 . . . . . . A 219 VAL CG2 . 30636 1 530 . 1 1 53 53 VAL N N 15 114.511 0.03 . . . . . . A 219 VAL N . 30636 1 531 . 1 1 54 54 GLU H H 1 9.163 0.00 . . . . . . A 220 GLU H . 30636 1 532 . 1 1 54 54 GLU HA H 1 4.888 0.01 . . . . . . A 220 GLU HA . 30636 1 533 . 1 1 54 54 GLU HB2 H 1 1.832 0.01 . . . . . . A 220 GLU HB2 . 30636 1 534 . 1 1 54 54 GLU HB3 H 1 1.781 0.02 . . . . . . A 220 GLU HB3 . 30636 1 535 . 1 1 54 54 GLU HG2 H 1 2.120 0.00 . . . . . . A 220 GLU HG2 . 30636 1 536 . 1 1 54 54 GLU HG3 H 1 1.952 0.00 . . . . . . A 220 GLU HG3 . 30636 1 537 . 1 1 54 54 GLU C C 13 176.054 0.00 . . . . . . A 220 GLU C . 30636 1 538 . 1 1 54 54 GLU CA C 13 55.149 0.04 . . . . . . A 220 GLU CA . 30636 1 539 . 1 1 54 54 GLU CB C 13 31.712 0.07 . . . . . . A 220 GLU CB . 30636 1 540 . 1 1 54 54 GLU CG C 13 37.253 0.04 . . . . . . A 220 GLU CG . 30636 1 541 . 1 1 54 54 GLU N N 15 120.156 0.04 . . . . . . A 220 GLU N . 30636 1 542 . 1 1 55 55 VAL H H 1 9.418 0.01 . . . . . . A 221 VAL H . 30636 1 543 . 1 1 55 55 VAL HA H 1 4.401 0.01 . . . . . . A 221 VAL HA . 30636 1 544 . 1 1 55 55 VAL HB H 1 1.849 0.01 . . . . . . A 221 VAL HB . 30636 1 545 . 1 1 55 55 VAL HG11 H 1 0.749 0.01 . . . . . . A 221 VAL HG11 . 30636 1 546 . 1 1 55 55 VAL HG12 H 1 0.749 0.01 . . . . . . A 221 VAL HG12 . 30636 1 547 . 1 1 55 55 VAL HG13 H 1 0.749 0.01 . . . . . . A 221 VAL HG13 . 30636 1 548 . 1 1 55 55 VAL HG21 H 1 0.724 0.01 . . . . . . A 221 VAL HG21 . 30636 1 549 . 1 1 55 55 VAL HG22 H 1 0.724 0.01 . . . . . . A 221 VAL HG22 . 30636 1 550 . 1 1 55 55 VAL HG23 H 1 0.724 0.01 . . . . . . A 221 VAL HG23 . 30636 1 551 . 1 1 55 55 VAL C C 13 173.964 0.00 . . . . . . A 221 VAL C . 30636 1 552 . 1 1 55 55 VAL CA C 13 60.999 0.03 . . . . . . A 221 VAL CA . 30636 1 553 . 1 1 55 55 VAL CB C 13 34.220 0.04 . . . . . . A 221 VAL CB . 30636 1 554 . 1 1 55 55 VAL CG1 C 13 22.866 0.04 . . . . . . A 221 VAL CG1 . 30636 1 555 . 1 1 55 55 VAL CG2 C 13 21.410 0.04 . . . . . . A 221 VAL CG2 . 30636 1 556 . 1 1 55 55 VAL N N 15 126.802 0.03 . . . . . . A 221 VAL N . 30636 1 557 . 1 1 56 56 ALA H H 1 8.401 0.01 . . . . . . A 222 ALA H . 30636 1 558 . 1 1 56 56 ALA HA H 1 4.556 0.01 . . . . . . A 222 ALA HA . 30636 1 559 . 1 1 56 56 ALA HB1 H 1 1.333 0.01 . . . . . . A 222 ALA HB1 . 30636 1 560 . 1 1 56 56 ALA HB2 H 1 1.333 0.01 . . . . . . A 222 ALA HB2 . 30636 1 561 . 1 1 56 56 ALA HB3 H 1 1.333 0.01 . . . . . . A 222 ALA HB3 . 30636 1 562 . 1 1 56 56 ALA C C 13 175.595 0.00 . . . . . . A 222 ALA C . 30636 1 563 . 1 1 56 56 ALA CA C 13 51.255 0.06 . . . . . . A 222 ALA CA . 30636 1 564 . 1 1 56 56 ALA CB C 13 18.337 0.05 . . . . . . A 222 ALA CB . 30636 1 565 . 1 1 56 56 ALA N N 15 129.010 0.02 . . . . . . A 222 ALA N . 30636 1 566 . 1 1 57 57 VAL H H 1 8.988 0.00 . . . . . . A 223 VAL H . 30636 1 567 . 1 1 57 57 VAL HA H 1 4.130 0.01 . . . . . . A 223 VAL HA . 30636 1 568 . 1 1 57 57 VAL HB H 1 1.996 0.01 . . . . . . A 223 VAL HB . 30636 1 569 . 1 1 57 57 VAL HG11 H 1 0.840 0.00 . . . . . . A 223 VAL HG11 . 30636 1 570 . 1 1 57 57 VAL HG12 H 1 0.840 0.00 . . . . . . A 223 VAL HG12 . 30636 1 571 . 1 1 57 57 VAL HG13 H 1 0.840 0.00 . . . . . . A 223 VAL HG13 . 30636 1 572 . 1 1 57 57 VAL HG21 H 1 0.951 0.01 . . . . . . A 223 VAL HG21 . 30636 1 573 . 1 1 57 57 VAL HG22 H 1 0.951 0.01 . . . . . . A 223 VAL HG22 . 30636 1 574 . 1 1 57 57 VAL HG23 H 1 0.951 0.01 . . . . . . A 223 VAL HG23 . 30636 1 575 . 1 1 57 57 VAL CA C 13 60.072 0.03 . . . . . . A 223 VAL CA . 30636 1 576 . 1 1 57 57 VAL CB C 13 32.733 0.06 . . . . . . A 223 VAL CB . 30636 1 577 . 1 1 57 57 VAL CG1 C 13 22.410 0.05 . . . . . . A 223 VAL CG1 . 30636 1 578 . 1 1 57 57 VAL CG2 C 13 20.863 0.04 . . . . . . A 223 VAL CG2 . 30636 1 579 . 1 1 57 57 VAL N N 15 127.665 0.02 . . . . . . A 223 VAL N . 30636 1 580 . 1 1 58 58 PRO HA H 1 4.763 0.00 . . . . . . A 224 PRO HA . 30636 1 581 . 1 1 58 58 PRO HB2 H 1 2.463 0.00 . . . . . . A 224 PRO HB2 . 30636 1 582 . 1 1 58 58 PRO HB3 H 1 1.771 0.00 . . . . . . A 224 PRO HB3 . 30636 1 583 . 1 1 58 58 PRO HG2 H 1 2.009 0.01 . . . . . . A 224 PRO HG2 . 30636 1 584 . 1 1 58 58 PRO HG3 H 1 1.959 0.01 . . . . . . A 224 PRO HG3 . 30636 1 585 . 1 1 58 58 PRO HD2 H 1 4.156 0.01 . . . . . . A 224 PRO HD2 . 30636 1 586 . 1 1 58 58 PRO HD3 H 1 3.588 0.01 . . . . . . A 224 PRO HD3 . 30636 1 587 . 1 1 58 58 PRO CA C 13 61.299 0.01 . . . . . . A 224 PRO CA . 30636 1 588 . 1 1 58 58 PRO CB C 13 30.767 0.03 . . . . . . A 224 PRO CB . 30636 1 589 . 1 1 58 58 PRO CG C 13 27.374 0.04 . . . . . . A 224 PRO CG . 30636 1 590 . 1 1 58 58 PRO CD C 13 50.945 0.08 . . . . . . A 224 PRO CD . 30636 1 591 . 1 1 59 59 PRO HA H 1 4.010 0.01 . . . . . . A 225 PRO HA . 30636 1 592 . 1 1 59 59 PRO HB2 H 1 2.240 0.01 . . . . . . A 225 PRO HB2 . 30636 1 593 . 1 1 59 59 PRO HB3 H 1 1.785 0.01 . . . . . . A 225 PRO HB3 . 30636 1 594 . 1 1 59 59 PRO HG3 H 1 2.037 0.01 . . . . . . A 225 PRO HG3 . 30636 1 595 . 1 1 59 59 PRO HD2 H 1 3.851 0.01 . . . . . . A 225 PRO HD2 . 30636 1 596 . 1 1 59 59 PRO HD3 H 1 3.571 0.01 . . . . . . A 225 PRO HD3 . 30636 1 597 . 1 1 59 59 PRO C C 13 175.609 0.00 . . . . . . A 225 PRO C . 30636 1 598 . 1 1 59 59 PRO CA C 13 63.002 0.04 . . . . . . A 225 PRO CA . 30636 1 599 . 1 1 59 59 PRO CB C 13 32.361 0.08 . . . . . . A 225 PRO CB . 30636 1 600 . 1 1 59 59 PRO CG C 13 27.316 0.07 . . . . . . A 225 PRO CG . 30636 1 601 . 1 1 59 59 PRO CD C 13 50.208 0.05 . . . . . . A 225 PRO CD . 30636 1 602 . 1 1 60 60 ARG H H 1 8.347 0.00 . . . . . . A 226 ARG H . 30636 1 603 . 1 1 60 60 ARG HA H 1 3.903 0.00 . . . . . . A 226 ARG HA . 30636 1 604 . 1 1 60 60 ARG HB2 H 1 1.942 0.01 . . . . . . A 226 ARG HB2 . 30636 1 605 . 1 1 60 60 ARG HB3 H 1 2.071 0.01 . . . . . . A 226 ARG HB3 . 30636 1 606 . 1 1 60 60 ARG HG2 H 1 1.634 0.00 . . . . . . A 226 ARG HG2 . 30636 1 607 . 1 1 60 60 ARG HG3 H 1 1.679 0.00 . . . . . . A 226 ARG HG3 . 30636 1 608 . 1 1 60 60 ARG HD2 H 1 3.213 0.01 . . . . . . A 226 ARG HD2 . 30636 1 609 . 1 1 60 60 ARG HD3 H 1 3.310 0.01 . . . . . . A 226 ARG HD3 . 30636 1 610 . 1 1 60 60 ARG C C 13 176.218 0.00 . . . . . . A 226 ARG C . 30636 1 611 . 1 1 60 60 ARG CA C 13 56.839 0.05 . . . . . . A 226 ARG CA . 30636 1 612 . 1 1 60 60 ARG CB C 13 26.510 0.04 . . . . . . A 226 ARG CB . 30636 1 613 . 1 1 60 60 ARG CG C 13 27.872 0.07 . . . . . . A 226 ARG CG . 30636 1 614 . 1 1 60 60 ARG CD C 13 43.320 0.03 . . . . . . A 226 ARG CD . 30636 1 615 . 1 1 60 60 ARG N N 15 116.947 0.06 . . . . . . A 226 ARG N . 30636 1 616 . 1 1 61 61 THR H H 1 8.505 0.01 . . . . . . A 227 THR H . 30636 1 617 . 1 1 61 61 THR HA H 1 3.998 0.01 . . . . . . A 227 THR HA . 30636 1 618 . 1 1 61 61 THR HB H 1 3.961 0.01 . . . . . . A 227 THR HB . 30636 1 619 . 1 1 61 61 THR HG21 H 1 1.124 0.01 . . . . . . A 227 THR HG21 . 30636 1 620 . 1 1 61 61 THR HG22 H 1 1.124 0.01 . . . . . . A 227 THR HG22 . 30636 1 621 . 1 1 61 61 THR HG23 H 1 1.124 0.01 . . . . . . A 227 THR HG23 . 30636 1 622 . 1 1 61 61 THR C C 13 173.076 0.00 . . . . . . A 227 THR C . 30636 1 623 . 1 1 61 61 THR CA C 13 65.375 0.04 . . . . . . A 227 THR CA . 30636 1 624 . 1 1 61 61 THR CB C 13 69.394 0.04 . . . . . . A 227 THR CB . 30636 1 625 . 1 1 61 61 THR CG2 C 13 23.305 0.06 . . . . . . A 227 THR CG2 . 30636 1 626 . 1 1 61 61 THR N N 15 119.763 0.05 . . . . . . A 227 THR N . 30636 1 627 . 1 1 62 62 GLN H H 1 8.170 0.00 . . . . . . A 228 GLN H . 30636 1 628 . 1 1 62 62 GLN HA H 1 4.443 0.01 . . . . . . A 228 GLN HA . 30636 1 629 . 1 1 62 62 GLN HB2 H 1 2.166 0.00 . . . . . . A 228 GLN HB2 . 30636 1 630 . 1 1 62 62 GLN HB3 H 1 1.911 0.00 . . . . . . A 228 GLN HB3 . 30636 1 631 . 1 1 62 62 GLN HG2 H 1 2.362 0.00 . . . . . . A 228 GLN HG2 . 30636 1 632 . 1 1 62 62 GLN C C 13 174.726 0.00 . . . . . . A 228 GLN C . 30636 1 633 . 1 1 62 62 GLN CA C 13 53.692 0.03 . . . . . . A 228 GLN CA . 30636 1 634 . 1 1 62 62 GLN CB C 13 31.372 0.05 . . . . . . A 228 GLN CB . 30636 1 635 . 1 1 62 62 GLN CG C 13 34.017 0.03 . . . . . . A 228 GLN CG . 30636 1 636 . 1 1 62 62 GLN N N 15 125.639 0.06 . . . . . . A 228 GLN N . 30636 1 637 . 1 1 63 63 ALA H H 1 8.454 0.01 . . . . . . A 229 ALA H . 30636 1 638 . 1 1 63 63 ALA HA H 1 3.855 0.01 . . . . . . A 229 ALA HA . 30636 1 639 . 1 1 63 63 ALA HB1 H 1 1.466 0.01 . . . . . . A 229 ALA HB1 . 30636 1 640 . 1 1 63 63 ALA HB2 H 1 1.466 0.01 . . . . . . A 229 ALA HB2 . 30636 1 641 . 1 1 63 63 ALA HB3 H 1 1.466 0.01 . . . . . . A 229 ALA HB3 . 30636 1 642 . 1 1 63 63 ALA C C 13 178.753 0.00 . . . . . . A 229 ALA C . 30636 1 643 . 1 1 63 63 ALA CA C 13 53.619 0.04 . . . . . . A 229 ALA CA . 30636 1 644 . 1 1 63 63 ALA CB C 13 18.633 0.03 . . . . . . A 229 ALA CB . 30636 1 645 . 1 1 63 63 ALA N N 15 121.557 0.05 . . . . . . A 229 ALA N . 30636 1 646 . 1 1 64 64 GLY H H 1 9.019 0.00 . . . . . . A 230 GLY H . 30636 1 647 . 1 1 64 64 GLY HA2 H 1 4.417 0.01 . . . . . . A 230 GLY HA2 . 30636 1 648 . 1 1 64 64 GLY HA3 H 1 3.639 0.01 . . . . . . A 230 GLY HA3 . 30636 1 649 . 1 1 64 64 GLY C C 13 174.341 0.00 . . . . . . A 230 GLY C . 30636 1 650 . 1 1 64 64 GLY CA C 13 45.117 0.04 . . . . . . A 230 GLY CA . 30636 1 651 . 1 1 64 64 GLY N N 15 111.147 0.03 . . . . . . A 230 GLY N . 30636 1 652 . 1 1 65 65 ARG H H 1 7.584 0.00 . . . . . . A 231 ARG H . 30636 1 653 . 1 1 65 65 ARG HA H 1 4.315 0.01 . . . . . . A 231 ARG HA . 30636 1 654 . 1 1 65 65 ARG HB2 H 1 2.171 0.00 . . . . . . A 231 ARG HB2 . 30636 1 655 . 1 1 65 65 ARG HB3 H 1 1.742 0.01 . . . . . . A 231 ARG HB3 . 30636 1 656 . 1 1 65 65 ARG HG2 H 1 1.727 0.01 . . . . . . A 231 ARG HG2 . 30636 1 657 . 1 1 65 65 ARG HD2 H 1 3.193 0.01 . . . . . . A 231 ARG HD2 . 30636 1 658 . 1 1 65 65 ARG HD3 H 1 3.294 0.01 . . . . . . A 231 ARG HD3 . 30636 1 659 . 1 1 65 65 ARG C C 13 174.861 0.00 . . . . . . A 231 ARG C . 30636 1 660 . 1 1 65 65 ARG CA C 13 56.706 0.06 . . . . . . A 231 ARG CA . 30636 1 661 . 1 1 65 65 ARG CB C 13 30.824 0.05 . . . . . . A 231 ARG CB . 30636 1 662 . 1 1 65 65 ARG CG C 13 27.126 0.09 . . . . . . A 231 ARG CG . 30636 1 663 . 1 1 65 65 ARG CD C 13 43.570 0.05 . . . . . . A 231 ARG CD . 30636 1 664 . 1 1 65 65 ARG N N 15 121.433 0.03 . . . . . . A 231 ARG N . 30636 1 665 . 1 1 66 66 LYS H H 1 8.778 0.00 . . . . . . A 232 LYS H . 30636 1 666 . 1 1 66 66 LYS HA H 1 5.333 0.01 . . . . . . A 232 LYS HA . 30636 1 667 . 1 1 66 66 LYS HB2 H 1 2.036 0.01 . . . . . . A 232 LYS HB2 . 30636 1 668 . 1 1 66 66 LYS HB3 H 1 1.635 0.00 . . . . . . A 232 LYS HB3 . 30636 1 669 . 1 1 66 66 LYS HG2 H 1 1.689 0.01 . . . . . . A 232 LYS HG2 . 30636 1 670 . 1 1 66 66 LYS HG3 H 1 1.468 0.01 . . . . . . A 232 LYS HG3 . 30636 1 671 . 1 1 66 66 LYS HD2 H 1 1.745 0.00 . . . . . . A 232 LYS HD2 . 30636 1 672 . 1 1 66 66 LYS HE3 H 1 3.001 0.01 . . . . . . A 232 LYS HE3 . 30636 1 673 . 1 1 66 66 LYS C C 13 174.988 0.00 . . . . . . A 232 LYS C . 30636 1 674 . 1 1 66 66 LYS CA C 13 54.923 0.03 . . . . . . A 232 LYS CA . 30636 1 675 . 1 1 66 66 LYS CB C 13 34.760 0.06 . . . . . . A 232 LYS CB . 30636 1 676 . 1 1 66 66 LYS CG C 13 26.145 0.06 . . . . . . A 232 LYS CG . 30636 1 677 . 1 1 66 66 LYS CD C 13 29.272 0.08 . . . . . . A 232 LYS CD . 30636 1 678 . 1 1 66 66 LYS CE C 13 41.883 0.05 . . . . . . A 232 LYS CE . 30636 1 679 . 1 1 66 66 LYS N N 15 123.140 0.05 . . . . . . A 232 LYS N . 30636 1 680 . 1 1 67 67 LEU H H 1 9.235 0.01 . . . . . . A 233 LEU H . 30636 1 681 . 1 1 67 67 LEU HA H 1 5.138 0.01 . . . . . . A 233 LEU HA . 30636 1 682 . 1 1 67 67 LEU HB2 H 1 1.785 0.01 . . . . . . A 233 LEU HB2 . 30636 1 683 . 1 1 67 67 LEU HB3 H 1 1.190 0.01 . . . . . . A 233 LEU HB3 . 30636 1 684 . 1 1 67 67 LEU HG H 1 1.702 0.01 . . . . . . A 233 LEU HG . 30636 1 685 . 1 1 67 67 LEU HD11 H 1 0.784 0.01 . . . . . . A 233 LEU HD11 . 30636 1 686 . 1 1 67 67 LEU HD12 H 1 0.784 0.01 . . . . . . A 233 LEU HD12 . 30636 1 687 . 1 1 67 67 LEU HD13 H 1 0.784 0.01 . . . . . . A 233 LEU HD13 . 30636 1 688 . 1 1 67 67 LEU HD21 H 1 0.744 0.00 . . . . . . A 233 LEU HD21 . 30636 1 689 . 1 1 67 67 LEU HD22 H 1 0.744 0.00 . . . . . . A 233 LEU HD22 . 30636 1 690 . 1 1 67 67 LEU HD23 H 1 0.744 0.00 . . . . . . A 233 LEU HD23 . 30636 1 691 . 1 1 67 67 LEU C C 13 175.401 0.00 . . . . . . A 233 LEU C . 30636 1 692 . 1 1 67 67 LEU CA C 13 52.803 0.05 . . . . . . A 233 LEU CA . 30636 1 693 . 1 1 67 67 LEU CB C 13 42.409 0.07 . . . . . . A 233 LEU CB . 30636 1 694 . 1 1 67 67 LEU CG C 13 27.441 0.08 . . . . . . A 233 LEU CG . 30636 1 695 . 1 1 67 67 LEU CD1 C 13 23.858 0.02 . . . . . . A 233 LEU CD1 . 30636 1 696 . 1 1 67 67 LEU CD2 C 13 26.129 0.05 . . . . . . A 233 LEU CD2 . 30636 1 697 . 1 1 67 67 LEU N N 15 123.595 0.04 . . . . . . A 233 LEU N . 30636 1 698 . 1 1 68 68 ARG H H 1 9.197 0.00 . . . . . . A 234 ARG H . 30636 1 699 . 1 1 68 68 ARG HA H 1 4.546 0.01 . . . . . . A 234 ARG HA . 30636 1 700 . 1 1 68 68 ARG HB2 H 1 1.974 0.00 . . . . . . A 234 ARG HB2 . 30636 1 701 . 1 1 68 68 ARG HG2 H 1 1.650 0.01 . . . . . . A 234 ARG HG2 . 30636 1 702 . 1 1 68 68 ARG HD2 H 1 3.189 0.00 . . . . . . A 234 ARG HD2 . 30636 1 703 . 1 1 68 68 ARG C C 13 174.821 0.00 . . . . . . A 234 ARG C . 30636 1 704 . 1 1 68 68 ARG CA C 13 55.122 0.03 . . . . . . A 234 ARG CA . 30636 1 705 . 1 1 68 68 ARG CB C 13 32.998 0.06 . . . . . . A 234 ARG CB . 30636 1 706 . 1 1 68 68 ARG CG C 13 27.030 0.00 . . . . . . A 234 ARG CG . 30636 1 707 . 1 1 68 68 ARG CD C 13 43.729 0.00 . . . . . . A 234 ARG CD . 30636 1 708 . 1 1 68 68 ARG N N 15 124.265 0.07 . . . . . . A 234 ARG N . 30636 1 709 . 1 1 69 69 LEU H H 1 9.415 0.00 . . . . . . A 235 LEU H . 30636 1 710 . 1 1 69 69 LEU HA H 1 4.716 0.01 . . . . . . A 235 LEU HA . 30636 1 711 . 1 1 69 69 LEU HB2 H 1 1.527 0.01 . . . . . . A 235 LEU HB2 . 30636 1 712 . 1 1 69 69 LEU HB3 H 1 0.903 0.01 . . . . . . A 235 LEU HB3 . 30636 1 713 . 1 1 69 69 LEU HG H 1 1.337 0.01 . . . . . . A 235 LEU HG . 30636 1 714 . 1 1 69 69 LEU HD11 H 1 0.249 0.01 . . . . . . A 235 LEU HD11 . 30636 1 715 . 1 1 69 69 LEU HD12 H 1 0.249 0.01 . . . . . . A 235 LEU HD12 . 30636 1 716 . 1 1 69 69 LEU HD13 H 1 0.249 0.01 . . . . . . A 235 LEU HD13 . 30636 1 717 . 1 1 69 69 LEU HD21 H 1 0.435 0.01 . . . . . . A 235 LEU HD21 . 30636 1 718 . 1 1 69 69 LEU HD22 H 1 0.435 0.01 . . . . . . A 235 LEU HD22 . 30636 1 719 . 1 1 69 69 LEU HD23 H 1 0.435 0.01 . . . . . . A 235 LEU HD23 . 30636 1 720 . 1 1 69 69 LEU C C 13 176.260 0.00 . . . . . . A 235 LEU C . 30636 1 721 . 1 1 69 69 LEU CA C 13 53.972 0.05 . . . . . . A 235 LEU CA . 30636 1 722 . 1 1 69 69 LEU CB C 13 39.947 0.03 . . . . . . A 235 LEU CB . 30636 1 723 . 1 1 69 69 LEU CG C 13 28.493 0.06 . . . . . . A 235 LEU CG . 30636 1 724 . 1 1 69 69 LEU CD1 C 13 24.781 0.02 . . . . . . A 235 LEU CD1 . 30636 1 725 . 1 1 69 69 LEU CD2 C 13 24.832 0.04 . . . . . . A 235 LEU CD2 . 30636 1 726 . 1 1 69 69 LEU N N 15 129.218 0.03 . . . . . . A 235 LEU N . 30636 1 727 . 1 1 70 70 LYS H H 1 8.926 0.00 . . . . . . A 236 LYS H . 30636 1 728 . 1 1 70 70 LYS HA H 1 4.088 0.01 . . . . . . A 236 LYS HA . 30636 1 729 . 1 1 70 70 LYS HB2 H 1 1.724 0.01 . . . . . . A 236 LYS HB2 . 30636 1 730 . 1 1 70 70 LYS HB3 H 1 1.722 0.00 . . . . . . A 236 LYS HB3 . 30636 1 731 . 1 1 70 70 LYS HG2 H 1 1.487 0.01 . . . . . . A 236 LYS HG2 . 30636 1 732 . 1 1 70 70 LYS HG3 H 1 1.292 0.01 . . . . . . A 236 LYS HG3 . 30636 1 733 . 1 1 70 70 LYS HD2 H 1 1.656 0.01 . . . . . . A 236 LYS HD2 . 30636 1 734 . 1 1 70 70 LYS HE2 H 1 2.945 0.02 . . . . . . A 236 LYS HE2 . 30636 1 735 . 1 1 70 70 LYS HE3 H 1 3.000 0.01 . . . . . . A 236 LYS HE3 . 30636 1 736 . 1 1 70 70 LYS C C 13 178.799 0.00 . . . . . . A 236 LYS C . 30636 1 737 . 1 1 70 70 LYS CA C 13 56.964 0.06 . . . . . . A 236 LYS CA . 30636 1 738 . 1 1 70 70 LYS CB C 13 32.059 0.06 . . . . . . A 236 LYS CB . 30636 1 739 . 1 1 70 70 LYS CG C 13 25.012 0.03 . . . . . . A 236 LYS CG . 30636 1 740 . 1 1 70 70 LYS CD C 13 28.968 0.08 . . . . . . A 236 LYS CD . 30636 1 741 . 1 1 70 70 LYS CE C 13 41.747 0.04 . . . . . . A 236 LYS CE . 30636 1 742 . 1 1 70 70 LYS N N 15 126.973 0.03 . . . . . . A 236 LYS N . 30636 1 743 . 1 1 71 71 GLY H H 1 9.513 0.01 . . . . . . A 237 GLY H . 30636 1 744 . 1 1 71 71 GLY HA2 H 1 3.972 0.01 . . . . . . A 237 GLY HA2 . 30636 1 745 . 1 1 71 71 GLY HA3 H 1 3.747 0.01 . . . . . . A 237 GLY HA3 . 30636 1 746 . 1 1 71 71 GLY C C 13 174.865 0.00 . . . . . . A 237 GLY C . 30636 1 747 . 1 1 71 71 GLY CA C 13 46.841 0.09 . . . . . . A 237 GLY CA . 30636 1 748 . 1 1 71 71 GLY N N 15 112.799 0.03 . . . . . . A 237 GLY N . 30636 1 749 . 1 1 72 72 LYS H H 1 6.638 0.00 . . . . . . A 238 LYS H . 30636 1 750 . 1 1 72 72 LYS HA H 1 4.685 0.01 . . . . . . A 238 LYS HA . 30636 1 751 . 1 1 72 72 LYS HB2 H 1 1.489 0.02 . . . . . . A 238 LYS HB2 . 30636 1 752 . 1 1 72 72 LYS HB3 H 1 2.096 0.12 . . . . . . A 238 LYS HB3 . 30636 1 753 . 1 1 72 72 LYS HG2 H 1 1.217 0.01 . . . . . . A 238 LYS HG2 . 30636 1 754 . 1 1 72 72 LYS C C 13 176.273 0.00 . . . . . . A 238 LYS C . 30636 1 755 . 1 1 72 72 LYS CA C 13 53.791 0.00 . . . . . . A 238 LYS CA . 30636 1 756 . 1 1 72 72 LYS CB C 13 31.797 0.06 . . . . . . A 238 LYS CB . 30636 1 757 . 1 1 72 72 LYS CG C 13 23.872 0.05 . . . . . . A 238 LYS CG . 30636 1 758 . 1 1 72 72 LYS CD C 13 27.681 0.00 . . . . . . A 238 LYS CD . 30636 1 759 . 1 1 72 72 LYS CE C 13 42.195 0.00 . . . . . . A 238 LYS CE . 30636 1 760 . 1 1 72 72 LYS N N 15 114.417 0.03 . . . . . . A 238 LYS N . 30636 1 761 . 1 1 73 73 GLY H H 1 8.230 0.01 . . . . . . A 239 GLY H . 30636 1 762 . 1 1 73 73 GLY HA2 H 1 4.119 0.01 . . . . . . A 239 GLY HA2 . 30636 1 763 . 1 1 73 73 GLY HA3 H 1 3.215 0.00 . . . . . . A 239 GLY HA3 . 30636 1 764 . 1 1 73 73 GLY C C 13 173.739 0.00 . . . . . . A 239 GLY C . 30636 1 765 . 1 1 73 73 GLY CA C 13 43.241 0.08 . . . . . . A 239 GLY CA . 30636 1 766 . 1 1 73 73 GLY N N 15 107.917 0.04 . . . . . . A 239 GLY N . 30636 1 767 . 1 1 74 74 PHE H H 1 8.611 0.01 . . . . . . A 240 PHE H . 30636 1 768 . 1 1 74 74 PHE HB2 H 1 3.185 0.01 . . . . . . A 240 PHE HB2 . 30636 1 769 . 1 1 74 74 PHE HB3 H 1 2.940 0.01 . . . . . . A 240 PHE HB3 . 30636 1 770 . 1 1 74 74 PHE HD1 H 1 7.122 0.00 . . . . . . A 240 PHE HD1 . 30636 1 771 . 1 1 74 74 PHE HD2 H 1 7.130 0.00 . . . . . . A 240 PHE HD2 . 30636 1 772 . 1 1 74 74 PHE HE1 H 1 7.136 0.01 . . . . . . A 240 PHE HE1 . 30636 1 773 . 1 1 74 74 PHE HE2 H 1 7.145 0.01 . . . . . . A 240 PHE HE2 . 30636 1 774 . 1 1 74 74 PHE HZ H 1 7.006 0.01 . . . . . . A 240 PHE HZ . 30636 1 775 . 1 1 74 74 PHE CA C 13 55.789 0.01 . . . . . . A 240 PHE CA . 30636 1 776 . 1 1 74 74 PHE CB C 13 38.369 0.07 . . . . . . A 240 PHE CB . 30636 1 777 . 1 1 74 74 PHE CD1 C 13 130.422 0.00 . . . . . . A 240 PHE CD1 . 30636 1 778 . 1 1 74 74 PHE CD2 C 13 130.455 0.00 . . . . . . A 240 PHE CD2 . 30636 1 779 . 1 1 74 74 PHE CE1 C 13 131.856 0.00 . . . . . . A 240 PHE CE1 . 30636 1 780 . 1 1 74 74 PHE CE2 C 13 131.880 0.00 . . . . . . A 240 PHE CE2 . 30636 1 781 . 1 1 74 74 PHE CZ C 13 129.647 0.00 . . . . . . A 240 PHE CZ . 30636 1 782 . 1 1 74 74 PHE N N 15 119.714 0.08 . . . . . . A 240 PHE N . 30636 1 783 . 1 1 75 75 PRO HA H 1 4.640 0.01 . . . . . . A 241 PRO HA . 30636 1 784 . 1 1 75 75 PRO HB2 H 1 2.058 0.05 . . . . . . A 241 PRO HB2 . 30636 1 785 . 1 1 75 75 PRO HB3 H 1 2.275 0.01 . . . . . . A 241 PRO HB3 . 30636 1 786 . 1 1 75 75 PRO HG2 H 1 2.158 0.00 . . . . . . A 241 PRO HG2 . 30636 1 787 . 1 1 75 75 PRO HD2 H 1 3.638 0.01 . . . . . . A 241 PRO HD2 . 30636 1 788 . 1 1 75 75 PRO HD3 H 1 3.906 0.01 . . . . . . A 241 PRO HD3 . 30636 1 789 . 1 1 75 75 PRO C C 13 175.008 0.00 . . . . . . A 241 PRO C . 30636 1 790 . 1 1 75 75 PRO CA C 13 63.358 0.04 . . . . . . A 241 PRO CA . 30636 1 791 . 1 1 75 75 PRO CB C 13 32.493 0.08 . . . . . . A 241 PRO CB . 30636 1 792 . 1 1 75 75 PRO CG C 13 27.328 0.05 . . . . . . A 241 PRO CG . 30636 1 793 . 1 1 75 75 PRO CD C 13 50.883 0.04 . . . . . . A 241 PRO CD . 30636 1 794 . 1 1 76 76 GLY H H 1 7.804 0.00 . . . . . . A 242 GLY H . 30636 1 795 . 1 1 76 76 GLY HA2 H 1 4.346 0.01 . . . . . . A 242 GLY HA2 . 30636 1 796 . 1 1 76 76 GLY HA3 H 1 4.032 0.01 . . . . . . A 242 GLY HA3 . 30636 1 797 . 1 1 76 76 GLY CA C 13 45.069 0.04 . . . . . . A 242 GLY CA . 30636 1 798 . 1 1 76 76 GLY N N 15 108.550 0.04 . . . . . . A 242 GLY N . 30636 1 799 . 1 1 77 77 PRO HA H 1 4.335 0.00 . . . . . . A 243 PRO HA . 30636 1 800 . 1 1 77 77 PRO HB2 H 1 1.973 0.01 . . . . . . A 243 PRO HB2 . 30636 1 801 . 1 1 77 77 PRO HB3 H 1 2.365 0.00 . . . . . . A 243 PRO HB3 . 30636 1 802 . 1 1 77 77 PRO HG3 H 1 2.031 0.01 . . . . . . A 243 PRO HG3 . 30636 1 803 . 1 1 77 77 PRO HD2 H 1 3.686 0.01 . . . . . . A 243 PRO HD2 . 30636 1 804 . 1 1 77 77 PRO HD3 H 1 3.545 0.01 . . . . . . A 243 PRO HD3 . 30636 1 805 . 1 1 77 77 PRO C C 13 177.439 0.00 . . . . . . A 243 PRO C . 30636 1 806 . 1 1 77 77 PRO CA C 13 64.897 0.03 . . . . . . A 243 PRO CA . 30636 1 807 . 1 1 77 77 PRO CB C 13 32.059 0.05 . . . . . . A 243 PRO CB . 30636 1 808 . 1 1 77 77 PRO CG C 13 27.258 0.04 . . . . . . A 243 PRO CG . 30636 1 809 . 1 1 77 77 PRO CD C 13 49.514 0.02 . . . . . . A 243 PRO CD . 30636 1 810 . 1 1 78 78 ALA H H 1 8.603 0.00 . . . . . . A 244 ALA H . 30636 1 811 . 1 1 78 78 ALA HA H 1 4.631 0.01 . . . . . . A 244 ALA HA . 30636 1 812 . 1 1 78 78 ALA HB1 H 1 1.356 0.01 . . . . . . A 244 ALA HB1 . 30636 1 813 . 1 1 78 78 ALA HB2 H 1 1.356 0.01 . . . . . . A 244 ALA HB2 . 30636 1 814 . 1 1 78 78 ALA HB3 H 1 1.356 0.01 . . . . . . A 244 ALA HB3 . 30636 1 815 . 1 1 78 78 ALA C C 13 176.676 0.00 . . . . . . A 244 ALA C . 30636 1 816 . 1 1 78 78 ALA CA C 13 51.287 0.03 . . . . . . A 244 ALA CA . 30636 1 817 . 1 1 78 78 ALA CB C 13 19.008 0.03 . . . . . . A 244 ALA CB . 30636 1 818 . 1 1 78 78 ALA N N 15 120.104 0.04 . . . . . . A 244 ALA N . 30636 1 819 . 1 1 79 79 GLY H H 1 7.530 0.00 . . . . . . A 245 GLY H . 30636 1 820 . 1 1 79 79 GLY HA2 H 1 4.443 0.01 . . . . . . A 245 GLY HA2 . 30636 1 821 . 1 1 79 79 GLY HA3 H 1 3.805 0.01 . . . . . . A 245 GLY HA3 . 30636 1 822 . 1 1 79 79 GLY C C 13 173.147 0.00 . . . . . . A 245 GLY C . 30636 1 823 . 1 1 79 79 GLY CA C 13 44.277 0.03 . . . . . . A 245 GLY CA . 30636 1 824 . 1 1 79 79 GLY N N 15 108.080 0.03 . . . . . . A 245 GLY N . 30636 1 825 . 1 1 80 80 ARG H H 1 8.512 0.00 . . . . . . A 246 ARG H . 30636 1 826 . 1 1 80 80 ARG HA H 1 4.717 0.00 . . . . . . A 246 ARG HA . 30636 1 827 . 1 1 80 80 ARG HB2 H 1 1.652 0.01 . . . . . . A 246 ARG HB2 . 30636 1 828 . 1 1 80 80 ARG HB3 H 1 1.640 0.01 . . . . . . A 246 ARG HB3 . 30636 1 829 . 1 1 80 80 ARG HG2 H 1 1.372 0.01 . . . . . . A 246 ARG HG2 . 30636 1 830 . 1 1 80 80 ARG HG3 H 1 1.796 0.01 . . . . . . A 246 ARG HG3 . 30636 1 831 . 1 1 80 80 ARG HD2 H 1 3.202 0.01 . . . . . . A 246 ARG HD2 . 30636 1 832 . 1 1 80 80 ARG HD3 H 1 3.216 0.00 . . . . . . A 246 ARG HD3 . 30636 1 833 . 1 1 80 80 ARG C C 13 178.276 0.00 . . . . . . A 246 ARG C . 30636 1 834 . 1 1 80 80 ARG CA C 13 55.865 0.06 . . . . . . A 246 ARG CA . 30636 1 835 . 1 1 80 80 ARG CB C 13 32.681 0.05 . . . . . . A 246 ARG CB . 30636 1 836 . 1 1 80 80 ARG CG C 13 27.854 0.06 . . . . . . A 246 ARG CG . 30636 1 837 . 1 1 80 80 ARG CD C 13 43.310 0.10 . . . . . . A 246 ARG CD . 30636 1 838 . 1 1 80 80 ARG N N 15 119.973 0.04 . . . . . . A 246 ARG N . 30636 1 839 . 1 1 81 81 GLY H H 1 8.172 0.01 . . . . . . A 247 GLY H . 30636 1 840 . 1 1 81 81 GLY HA2 H 1 4.358 0.01 . . . . . . A 247 GLY HA2 . 30636 1 841 . 1 1 81 81 GLY HA3 H 1 3.772 0.01 . . . . . . A 247 GLY HA3 . 30636 1 842 . 1 1 81 81 GLY C C 13 172.590 0.00 . . . . . . A 247 GLY C . 30636 1 843 . 1 1 81 81 GLY CA C 13 44.012 0.11 . . . . . . A 247 GLY CA . 30636 1 844 . 1 1 81 81 GLY N N 15 107.691 0.04 . . . . . . A 247 GLY N . 30636 1 845 . 1 1 82 82 ASP H H 1 9.239 0.01 . . . . . . A 248 ASP H . 30636 1 846 . 1 1 82 82 ASP HA H 1 4.948 0.01 . . . . . . A 248 ASP HA . 30636 1 847 . 1 1 82 82 ASP HB2 H 1 1.832 0.01 . . . . . . A 248 ASP HB2 . 30636 1 848 . 1 1 82 82 ASP HB3 H 1 2.280 0.01 . . . . . . A 248 ASP HB3 . 30636 1 849 . 1 1 82 82 ASP C C 13 173.007 0.00 . . . . . . A 248 ASP C . 30636 1 850 . 1 1 82 82 ASP CA C 13 53.996 0.06 . . . . . . A 248 ASP CA . 30636 1 851 . 1 1 82 82 ASP CB C 13 44.503 0.09 . . . . . . A 248 ASP CB . 30636 1 852 . 1 1 82 82 ASP N N 15 119.008 0.03 . . . . . . A 248 ASP N . 30636 1 853 . 1 1 83 83 LEU H H 1 7.374 0.01 . . . . . . A 249 LEU H . 30636 1 854 . 1 1 83 83 LEU HA H 1 4.935 0.01 . . . . . . A 249 LEU HA . 30636 1 855 . 1 1 83 83 LEU HB2 H 1 1.627 0.01 . . . . . . A 249 LEU HB2 . 30636 1 856 . 1 1 83 83 LEU HB3 H 1 1.012 0.02 . . . . . . A 249 LEU HB3 . 30636 1 857 . 1 1 83 83 LEU HG H 1 1.245 0.01 . . . . . . A 249 LEU HG . 30636 1 858 . 1 1 83 83 LEU HD11 H 1 0.854 0.01 . . . . . . A 249 LEU HD11 . 30636 1 859 . 1 1 83 83 LEU HD12 H 1 0.854 0.01 . . . . . . A 249 LEU HD12 . 30636 1 860 . 1 1 83 83 LEU HD13 H 1 0.854 0.01 . . . . . . A 249 LEU HD13 . 30636 1 861 . 1 1 83 83 LEU HD21 H 1 0.769 0.01 . . . . . . A 249 LEU HD21 . 30636 1 862 . 1 1 83 83 LEU HD22 H 1 0.769 0.01 . . . . . . A 249 LEU HD22 . 30636 1 863 . 1 1 83 83 LEU HD23 H 1 0.769 0.01 . . . . . . A 249 LEU HD23 . 30636 1 864 . 1 1 83 83 LEU C C 13 173.606 0.00 . . . . . . A 249 LEU C . 30636 1 865 . 1 1 83 83 LEU CA C 13 52.939 0.05 . . . . . . A 249 LEU CA . 30636 1 866 . 1 1 83 83 LEU CB C 13 45.854 0.04 . . . . . . A 249 LEU CB . 30636 1 867 . 1 1 83 83 LEU CG C 13 27.955 0.04 . . . . . . A 249 LEU CG . 30636 1 868 . 1 1 83 83 LEU CD1 C 13 26.335 0.04 . . . . . . A 249 LEU CD1 . 30636 1 869 . 1 1 83 83 LEU CD2 C 13 23.289 0.05 . . . . . . A 249 LEU CD2 . 30636 1 870 . 1 1 83 83 LEU N N 15 121.295 0.03 . . . . . . A 249 LEU N . 30636 1 871 . 1 1 84 84 TYR H H 1 9.362 0.01 . . . . . . A 250 TYR H . 30636 1 872 . 1 1 84 84 TYR HA H 1 4.754 0.01 . . . . . . A 250 TYR HA . 30636 1 873 . 1 1 84 84 TYR HB2 H 1 2.624 0.01 . . . . . . A 250 TYR HB2 . 30636 1 874 . 1 1 84 84 TYR HB3 H 1 2.275 0.01 . . . . . . A 250 TYR HB3 . 30636 1 875 . 1 1 84 84 TYR HD1 H 1 6.600 0.00 . . . . . . A 250 TYR HD1 . 30636 1 876 . 1 1 84 84 TYR HD2 H 1 6.595 0.00 . . . . . . A 250 TYR HD2 . 30636 1 877 . 1 1 84 84 TYR HE1 H 1 6.672 0.00 . . . . . . A 250 TYR HE1 . 30636 1 878 . 1 1 84 84 TYR HE2 H 1 6.650 0.01 . . . . . . A 250 TYR HE2 . 30636 1 879 . 1 1 84 84 TYR C C 13 174.230 0.00 . . . . . . A 250 TYR C . 30636 1 880 . 1 1 84 84 TYR CA C 13 57.213 0.11 . . . . . . A 250 TYR CA . 30636 1 881 . 1 1 84 84 TYR CB C 13 41.191 0.05 . . . . . . A 250 TYR CB . 30636 1 882 . 1 1 84 84 TYR CD1 C 13 132.513 0.00 . . . . . . A 250 TYR CD1 . 30636 1 883 . 1 1 84 84 TYR CD2 C 13 132.452 0.00 . . . . . . A 250 TYR CD2 . 30636 1 884 . 1 1 84 84 TYR CE1 C 13 117.939 0.00 . . . . . . A 250 TYR CE1 . 30636 1 885 . 1 1 84 84 TYR CE2 C 13 117.931 0.00 . . . . . . A 250 TYR CE2 . 30636 1 886 . 1 1 84 84 TYR N N 15 126.054 0.05 . . . . . . A 250 TYR N . 30636 1 887 . 1 1 85 85 LEU H H 1 9.157 0.01 . . . . . . A 251 LEU H . 30636 1 888 . 1 1 85 85 LEU HA H 1 5.076 0.01 . . . . . . A 251 LEU HA . 30636 1 889 . 1 1 85 85 LEU HB2 H 1 1.899 0.00 . . . . . . A 251 LEU HB2 . 30636 1 890 . 1 1 85 85 LEU HB3 H 1 1.188 0.01 . . . . . . A 251 LEU HB3 . 30636 1 891 . 1 1 85 85 LEU HG H 1 1.684 0.00 . . . . . . A 251 LEU HG . 30636 1 892 . 1 1 85 85 LEU HD11 H 1 0.685 0.00 . . . . . . A 251 LEU HD11 . 30636 1 893 . 1 1 85 85 LEU HD12 H 1 0.685 0.00 . . . . . . A 251 LEU HD12 . 30636 1 894 . 1 1 85 85 LEU HD13 H 1 0.685 0.00 . . . . . . A 251 LEU HD13 . 30636 1 895 . 1 1 85 85 LEU HD21 H 1 0.804 0.00 . . . . . . A 251 LEU HD21 . 30636 1 896 . 1 1 85 85 LEU HD22 H 1 0.804 0.00 . . . . . . A 251 LEU HD22 . 30636 1 897 . 1 1 85 85 LEU HD23 H 1 0.804 0.00 . . . . . . A 251 LEU HD23 . 30636 1 898 . 1 1 85 85 LEU C C 13 175.627 0.00 . . . . . . A 251 LEU C . 30636 1 899 . 1 1 85 85 LEU CA C 13 51.929 0.04 . . . . . . A 251 LEU CA . 30636 1 900 . 1 1 85 85 LEU CB C 13 43.018 0.09 . . . . . . A 251 LEU CB . 30636 1 901 . 1 1 85 85 LEU CG C 13 27.675 0.12 . . . . . . A 251 LEU CG . 30636 1 902 . 1 1 85 85 LEU CD1 C 13 27.048 0.10 . . . . . . A 251 LEU CD1 . 30636 1 903 . 1 1 85 85 LEU CD2 C 13 23.846 0.03 . . . . . . A 251 LEU CD2 . 30636 1 904 . 1 1 85 85 LEU N N 15 122.127 0.03 . . . . . . A 251 LEU N . 30636 1 905 . 1 1 86 86 GLU H H 1 9.158 0.01 . . . . . . A 252 GLU H . 30636 1 906 . 1 1 86 86 GLU HA H 1 4.729 0.01 . . . . . . A 252 GLU HA . 30636 1 907 . 1 1 86 86 GLU HB2 H 1 1.308 0.00 . . . . . . A 252 GLU HB2 . 30636 1 908 . 1 1 86 86 GLU HB3 H 1 1.976 0.01 . . . . . . A 252 GLU HB3 . 30636 1 909 . 1 1 86 86 GLU C C 13 175.980 0.00 . . . . . . A 252 GLU C . 30636 1 910 . 1 1 86 86 GLU CA C 13 55.436 0.05 . . . . . . A 252 GLU CA . 30636 1 911 . 1 1 86 86 GLU CB C 13 31.113 0.02 . . . . . . A 252 GLU CB . 30636 1 912 . 1 1 86 86 GLU CG C 13 36.954 0.05 . . . . . . A 252 GLU CG . 30636 1 913 . 1 1 86 86 GLU N N 15 125.142 0.04 . . . . . . A 252 GLU N . 30636 1 914 . 1 1 87 87 VAL H H 1 8.986 0.01 . . . . . . A 253 VAL H . 30636 1 915 . 1 1 87 87 VAL HA H 1 4.273 0.01 . . . . . . A 253 VAL HA . 30636 1 916 . 1 1 87 87 VAL HB H 1 2.092 0.01 . . . . . . A 253 VAL HB . 30636 1 917 . 1 1 87 87 VAL HG11 H 1 0.699 0.00 . . . . . . A 253 VAL HG11 . 30636 1 918 . 1 1 87 87 VAL HG12 H 1 0.699 0.00 . . . . . . A 253 VAL HG12 . 30636 1 919 . 1 1 87 87 VAL HG13 H 1 0.699 0.00 . . . . . . A 253 VAL HG13 . 30636 1 920 . 1 1 87 87 VAL HG21 H 1 0.971 0.00 . . . . . . A 253 VAL HG21 . 30636 1 921 . 1 1 87 87 VAL HG22 H 1 0.971 0.00 . . . . . . A 253 VAL HG22 . 30636 1 922 . 1 1 87 87 VAL HG23 H 1 0.971 0.00 . . . . . . A 253 VAL HG23 . 30636 1 923 . 1 1 87 87 VAL C C 13 176.242 0.00 . . . . . . A 253 VAL C . 30636 1 924 . 1 1 87 87 VAL CA C 13 64.830 0.03 . . . . . . A 253 VAL CA . 30636 1 925 . 1 1 87 87 VAL CB C 13 32.269 0.08 . . . . . . A 253 VAL CB . 30636 1 926 . 1 1 87 87 VAL CG1 C 13 21.241 0.04 . . . . . . A 253 VAL CG1 . 30636 1 927 . 1 1 87 87 VAL CG2 C 13 22.302 0.05 . . . . . . A 253 VAL CG2 . 30636 1 928 . 1 1 87 87 VAL N N 15 128.286 0.07 . . . . . . A 253 VAL N . 30636 1 929 . 1 1 88 88 ARG H H 1 9.353 0.01 . . . . . . A 254 ARG H . 30636 1 930 . 1 1 88 88 ARG HA H 1 4.568 0.01 . . . . . . A 254 ARG HA . 30636 1 931 . 1 1 88 88 ARG HB2 H 1 1.738 0.00 . . . . . . A 254 ARG HB2 . 30636 1 932 . 1 1 88 88 ARG HB3 H 1 1.924 0.01 . . . . . . A 254 ARG HB3 . 30636 1 933 . 1 1 88 88 ARG HG2 H 1 1.651 0.01 . . . . . . A 254 ARG HG2 . 30636 1 934 . 1 1 88 88 ARG HG3 H 1 1.419 0.01 . . . . . . A 254 ARG HG3 . 30636 1 935 . 1 1 88 88 ARG HD2 H 1 3.186 0.00 . . . . . . A 254 ARG HD2 . 30636 1 936 . 1 1 88 88 ARG HD3 H 1 3.159 0.01 . . . . . . A 254 ARG HD3 . 30636 1 937 . 1 1 88 88 ARG C C 13 173.921 0.00 . . . . . . A 254 ARG C . 30636 1 938 . 1 1 88 88 ARG CA C 13 55.131 0.06 . . . . . . A 254 ARG CA . 30636 1 939 . 1 1 88 88 ARG CB C 13 32.454 0.05 . . . . . . A 254 ARG CB . 30636 1 940 . 1 1 88 88 ARG CG C 13 27.038 0.05 . . . . . . A 254 ARG CG . 30636 1 941 . 1 1 88 88 ARG CD C 13 43.700 0.04 . . . . . . A 254 ARG CD . 30636 1 942 . 1 1 88 88 ARG N N 15 133.689 0.04 . . . . . . A 254 ARG N . 30636 1 943 . 1 1 89 89 ILE H H 1 8.368 0.01 . . . . . . A 255 ILE H . 30636 1 944 . 1 1 89 89 ILE HA H 1 5.058 0.01 . . . . . . A 255 ILE HA . 30636 1 945 . 1 1 89 89 ILE HB H 1 1.920 0.01 . . . . . . A 255 ILE HB . 30636 1 946 . 1 1 89 89 ILE HG12 H 1 1.191 0.01 . . . . . . A 255 ILE HG12 . 30636 1 947 . 1 1 89 89 ILE HG13 H 1 1.500 0.01 . . . . . . A 255 ILE HG13 . 30636 1 948 . 1 1 89 89 ILE HG21 H 1 1.002 0.01 . . . . . . A 255 ILE HG21 . 30636 1 949 . 1 1 89 89 ILE HG22 H 1 1.002 0.01 . . . . . . A 255 ILE HG22 . 30636 1 950 . 1 1 89 89 ILE HG23 H 1 1.002 0.01 . . . . . . A 255 ILE HG23 . 30636 1 951 . 1 1 89 89 ILE HD11 H 1 0.656 0.01 . . . . . . A 255 ILE HD11 . 30636 1 952 . 1 1 89 89 ILE HD12 H 1 0.656 0.01 . . . . . . A 255 ILE HD12 . 30636 1 953 . 1 1 89 89 ILE HD13 H 1 0.656 0.01 . . . . . . A 255 ILE HD13 . 30636 1 954 . 1 1 89 89 ILE C C 13 176.972 0.00 . . . . . . A 255 ILE C . 30636 1 955 . 1 1 89 89 ILE CA C 13 59.141 0.03 . . . . . . A 255 ILE CA . 30636 1 956 . 1 1 89 89 ILE CB C 13 36.755 0.05 . . . . . . A 255 ILE CB . 30636 1 957 . 1 1 89 89 ILE CG1 C 13 27.497 0.04 . . . . . . A 255 ILE CG1 . 30636 1 958 . 1 1 89 89 ILE CG2 C 13 17.360 0.02 . . . . . . A 255 ILE CG2 . 30636 1 959 . 1 1 89 89 ILE CD1 C 13 11.110 0.04 . . . . . . A 255 ILE CD1 . 30636 1 960 . 1 1 89 89 ILE N N 15 125.987 0.06 . . . . . . A 255 ILE N . 30636 1 961 . 1 1 90 90 THR H H 1 8.388 0.01 . . . . . . A 256 THR H . 30636 1 962 . 1 1 90 90 THR HA H 1 4.319 0.01 . . . . . . A 256 THR HA . 30636 1 963 . 1 1 90 90 THR HB H 1 4.331 0.00 . . . . . . A 256 THR HB . 30636 1 964 . 1 1 90 90 THR HG21 H 1 0.971 0.00 . . . . . . A 256 THR HG21 . 30636 1 965 . 1 1 90 90 THR HG22 H 1 0.971 0.00 . . . . . . A 256 THR HG22 . 30636 1 966 . 1 1 90 90 THR HG23 H 1 0.971 0.00 . . . . . . A 256 THR HG23 . 30636 1 967 . 1 1 90 90 THR CA C 13 62.194 0.04 . . . . . . A 256 THR CA . 30636 1 968 . 1 1 90 90 THR CB C 13 70.339 0.04 . . . . . . A 256 THR CB . 30636 1 969 . 1 1 90 90 THR CG2 C 13 22.285 0.04 . . . . . . A 256 THR CG2 . 30636 1 970 . 1 1 90 90 THR N N 15 126.930 0.04 . . . . . . A 256 THR N . 30636 1 stop_ save_