data_11523 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11523 _Entry.Title ; Solution structure of the second RRM domain of Nrd1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-16 _Entry.Accession_date 2013-04-16 _Entry.Last_release_date 2014-04-14 _Entry.Original_release_date 2014-04-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . 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.Entry_ID 1 Ayaho Kobayashi . . . 11523 2 Teppei Kanaba . . . 11523 3 Masaki Mishima . . . 11523 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11523 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Nrd1 . 11523 RNA-binding . 11523 'Solution structure' . 11523 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11523 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 11523 '15N chemical shifts' 93 11523 '1H chemical shifts' 652 11523 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 . . 2014-04-14 2013-04-16 original author . 11523 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11523 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23770370 _Citation.Full_citation . _Citation.Title 'Structure of the second RRM domain of Nrd1, a fission yeast MAPK target RNA binding protein, and implication for its RNA recognition and regulation' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 437 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 12 _Citation.Page_last 17 _Citation.Year 2013 _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.Entry_ID _Citation_author.Citation_ID 1 Ayaho Kobayashi . . . 11523 1 2 Teppei Kanaba . . . 11523 1 3 Ryosuke Satoh . . . 11523 1 4 Toshinobu Fujiwara . . . 11523 1 5 Yutaka Ito . . . 11523 1 6 Reiko Sugiura . . . 11523 1 7 Masaki Mishima . . . 11523 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11523 _Assembly.ID 1 _Assembly.Name 'the second RRM domain of Nrd1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 Nrd1_RRM2 1 $Nrd1_RRM2 A . yes native no no . . . 11523 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nrd1_RRM2 _Entity.Sf_category entity _Entity.Sf_framecode Nrd1_RRM2 _Entity.Entry_ID 11523 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nrd1_RRM2 _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 ; NSASNSSVLLAVQQSGACRN VFLGNLPNGITEDEIREDLE PFGPIDQIKIVTERNIAFVH FLNIAAAIKAVQELPLNPKW SKRRIYYGRDRCAVGLK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10793.440 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2RT3 . "Solution Structure Of The Second Rrm Domain Of Nrd1" . . . . . 100.00 97 100.00 100.00 1.59e-63 . . . . 11523 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 188 ASN . 11523 1 2 189 SER . 11523 1 3 190 ALA . 11523 1 4 191 SER . 11523 1 5 192 ASN . 11523 1 6 193 SER . 11523 1 7 194 SER . 11523 1 8 195 VAL . 11523 1 9 196 LEU . 11523 1 10 197 LEU . 11523 1 11 198 ALA . 11523 1 12 199 VAL . 11523 1 13 200 GLN . 11523 1 14 201 GLN . 11523 1 15 202 SER . 11523 1 16 203 GLY . 11523 1 17 204 ALA . 11523 1 18 205 CYS . 11523 1 19 206 ARG . 11523 1 20 207 ASN . 11523 1 21 208 VAL . 11523 1 22 209 PHE . 11523 1 23 210 LEU . 11523 1 24 211 GLY . 11523 1 25 212 ASN . 11523 1 26 213 LEU . 11523 1 27 214 PRO . 11523 1 28 215 ASN . 11523 1 29 216 GLY . 11523 1 30 217 ILE . 11523 1 31 218 THR . 11523 1 32 219 GLU . 11523 1 33 220 ASP . 11523 1 34 221 GLU . 11523 1 35 222 ILE . 11523 1 36 223 ARG . 11523 1 37 224 GLU . 11523 1 38 225 ASP . 11523 1 39 226 LEU . 11523 1 40 227 GLU . 11523 1 41 228 PRO . 11523 1 42 229 PHE . 11523 1 43 230 GLY . 11523 1 44 231 PRO . 11523 1 45 232 ILE . 11523 1 46 233 ASP . 11523 1 47 234 GLN . 11523 1 48 235 ILE . 11523 1 49 236 LYS . 11523 1 50 237 ILE . 11523 1 51 238 VAL . 11523 1 52 239 THR . 11523 1 53 240 GLU . 11523 1 54 241 ARG . 11523 1 55 242 ASN . 11523 1 56 243 ILE . 11523 1 57 244 ALA . 11523 1 58 245 PHE . 11523 1 59 246 VAL . 11523 1 60 247 HIS . 11523 1 61 248 PHE . 11523 1 62 249 LEU . 11523 1 63 250 ASN . 11523 1 64 251 ILE . 11523 1 65 252 ALA . 11523 1 66 253 ALA . 11523 1 67 254 ALA . 11523 1 68 255 ILE . 11523 1 69 256 LYS . 11523 1 70 257 ALA . 11523 1 71 258 VAL . 11523 1 72 259 GLN . 11523 1 73 260 GLU . 11523 1 74 261 LEU . 11523 1 75 262 PRO . 11523 1 76 263 LEU . 11523 1 77 264 ASN . 11523 1 78 265 PRO . 11523 1 79 266 LYS . 11523 1 80 267 TRP . 11523 1 81 268 SER . 11523 1 82 269 LYS . 11523 1 83 270 ARG . 11523 1 84 271 ARG . 11523 1 85 272 ILE . 11523 1 86 273 TYR . 11523 1 87 274 TYR . 11523 1 88 275 GLY . 11523 1 89 276 ARG . 11523 1 90 277 ASP . 11523 1 91 278 ARG . 11523 1 92 279 CYS . 11523 1 93 280 ALA . 11523 1 94 281 VAL . 11523 1 95 282 GLY . 11523 1 96 283 LEU . 11523 1 97 284 LYS . 11523 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 . ASN 1 1 11523 1 . SER 2 2 11523 1 . ALA 3 3 11523 1 . SER 4 4 11523 1 . ASN 5 5 11523 1 . SER 6 6 11523 1 . SER 7 7 11523 1 . VAL 8 8 11523 1 . LEU 9 9 11523 1 . LEU 10 10 11523 1 . ALA 11 11 11523 1 . VAL 12 12 11523 1 . GLN 13 13 11523 1 . GLN 14 14 11523 1 . SER 15 15 11523 1 . GLY 16 16 11523 1 . ALA 17 17 11523 1 . CYS 18 18 11523 1 . ARG 19 19 11523 1 . ASN 20 20 11523 1 . VAL 21 21 11523 1 . PHE 22 22 11523 1 . LEU 23 23 11523 1 . GLY 24 24 11523 1 . ASN 25 25 11523 1 . LEU 26 26 11523 1 . PRO 27 27 11523 1 . ASN 28 28 11523 1 . GLY 29 29 11523 1 . ILE 30 30 11523 1 . THR 31 31 11523 1 . GLU 32 32 11523 1 . ASP 33 33 11523 1 . GLU 34 34 11523 1 . ILE 35 35 11523 1 . ARG 36 36 11523 1 . GLU 37 37 11523 1 . ASP 38 38 11523 1 . LEU 39 39 11523 1 . GLU 40 40 11523 1 . PRO 41 41 11523 1 . PHE 42 42 11523 1 . GLY 43 43 11523 1 . PRO 44 44 11523 1 . ILE 45 45 11523 1 . ASP 46 46 11523 1 . GLN 47 47 11523 1 . ILE 48 48 11523 1 . LYS 49 49 11523 1 . ILE 50 50 11523 1 . VAL 51 51 11523 1 . THR 52 52 11523 1 . GLU 53 53 11523 1 . ARG 54 54 11523 1 . ASN 55 55 11523 1 . ILE 56 56 11523 1 . ALA 57 57 11523 1 . PHE 58 58 11523 1 . VAL 59 59 11523 1 . HIS 60 60 11523 1 . PHE 61 61 11523 1 . LEU 62 62 11523 1 . ASN 63 63 11523 1 . ILE 64 64 11523 1 . ALA 65 65 11523 1 . ALA 66 66 11523 1 . ALA 67 67 11523 1 . ILE 68 68 11523 1 . LYS 69 69 11523 1 . ALA 70 70 11523 1 . VAL 71 71 11523 1 . GLN 72 72 11523 1 . GLU 73 73 11523 1 . LEU 74 74 11523 1 . PRO 75 75 11523 1 . LEU 76 76 11523 1 . ASN 77 77 11523 1 . PRO 78 78 11523 1 . LYS 79 79 11523 1 . TRP 80 80 11523 1 . SER 81 81 11523 1 . LYS 82 82 11523 1 . ARG 83 83 11523 1 . ARG 84 84 11523 1 . ILE 85 85 11523 1 . TYR 86 86 11523 1 . TYR 87 87 11523 1 . GLY 88 88 11523 1 . ARG 89 89 11523 1 . ASP 90 90 11523 1 . ARG 91 91 11523 1 . CYS 92 92 11523 1 . ALA 93 93 11523 1 . VAL 94 94 11523 1 . GLY 95 95 11523 1 . LEU 96 96 11523 1 . LYS 97 97 11523 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 11523 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Nrd1_RRM2 . 4896 organism . 'Schizosaccharomyces pombe' 'fission yeast' . . Eukaryota Fungi Schizosaccharomyces pombe . . . . . . . . . . . . . . . . . . . . . 11523 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 11523 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Nrd1_RRM2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET-49b(+) . . . . . . 11523 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11523 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11523 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11523 1 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 11523 1 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 11523 1 5 'Nrd1 RRM2' '[U-99% 13C; U-99% 15N]' . . 1 $Nrd1_RRM2 . protein 1.0 . . mM . . . . 11523 1 6 H2O . . . . . . solvent 93 . . % . . . . 11523 1 7 D2O . . . . . . solvent 7 . . % . . . . 11523 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11523 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11523 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11523 2 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 11523 2 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 11523 2 5 'Nrd1 RRM2' '[U-99% 15N]' . . 1 $Nrd1_RRM2 . protein 1.2 . . mM . . . . 11523 2 6 H2O . . . . . . solvent 93 . . % . . . . 11523 2 7 D2O . . . . . . solvent 7 . . % . . . . 11523 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 11523 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11523 3 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11523 3 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 11523 3 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 11523 3 5 'Nrd1 RRM2' '[U-99% 13C; U-99% 15N]' . . 1 $Nrd1_RRM2 . protein 1.0 . . mM . . . . 11523 3 6 D2O . . . . . . solvent 100 . . % . . . . 11523 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 11523 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 11523 4 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 11523 4 3 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 11523 4 4 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 11523 4 5 'Nrd1 RRM2' '[U-10% 13C; U-99% 15N]' . . 1 $Nrd1_RRM2 . protein 0.35 . . mM . . . . 11523 4 6 H2O . . . . . . solvent 93 . . % . . . . 11523 4 7 D2O . . . . . . solvent 7 . . % . . . . 11523 4 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 11523 _Sample_condition_list.ID 1 _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 pH 6.0 . pH 11523 1 pressure 1 . atm 11523 1 temperature 303 . K 11523 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 11523 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 11523 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11523 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11523 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11523 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11523 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11523 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11523 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11523 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 11523 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 11523 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11523 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11523 _Software.ID 5 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11523 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11523 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11523 _Software.ID 6 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11523 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11523 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11523 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 11523 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Bruker AvanceIII . 600 . . . 11523 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 11523 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 8 '4D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 11 '3D HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 12 '3D HA(CA)HB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 13 '2D 1H-13C CT-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11523 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11523 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 11523 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11523 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 11523 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11523 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' 2 $sample_2 isotropic 11523 1 2 '3D HNCACB' 1 $sample_1 isotropic 11523 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11523 1 4 '3D HN(CA)CO' 1 $sample_1 isotropic 11523 1 5 '3D HNCO' 1 $sample_1 isotropic 11523 1 6 '3D H(CCO)NH' 1 $sample_1 isotropic 11523 1 7 '3D C(CO)NH' 1 $sample_1 isotropic 11523 1 8 '4D H(CCO)NH' 1 $sample_1 isotropic 11523 1 9 '3D 1H-13C NOESY' 3 $sample_3 isotropic 11523 1 10 '3D 1H-15N NOESY' 2 $sample_2 isotropic 11523 1 11 '3D HNHB' 2 $sample_2 isotropic 11523 1 12 '3D HA(CA)HB' 3 $sample_3 isotropic 11523 1 13 '2D 1H-13C CT-HSQC' 4 $sample_4 isotropic 11523 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.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 ASN HA H 1 4.745 0.04 . 1 . . . A 188 ASN HA . 11523 1 2 . 1 1 1 1 ASN HB2 H 1 2.792 0.04 . 2 . . . A 188 ASN HB2 . 11523 1 3 . 1 1 1 1 ASN HB3 H 1 2.853 0.04 . 2 . . . A 188 ASN HB3 . 11523 1 4 . 1 1 1 1 ASN H H 1 8.599 0.04 . 1 . . . A 188 ASN H1 . 11523 1 5 . 1 1 1 1 ASN C C 13 175.334 0.40 . 1 . . . A 188 ASN C . 11523 1 6 . 1 1 1 1 ASN CA C 13 53.269 0.40 . 1 . . . A 188 ASN CA . 11523 1 7 . 1 1 1 1 ASN CB C 13 38.741 0.40 . 1 . . . A 188 ASN CB . 11523 1 8 . 1 1 1 1 ASN N N 15 120.496 0.40 . 1 . . . A 188 ASN N . 11523 1 9 . 1 1 2 2 SER H H 1 8.183 0.04 . 1 . . . A 189 SER H . 11523 1 10 . 1 1 2 2 SER HA H 1 4.397 0.04 . 1 . . . A 189 SER HA . 11523 1 11 . 1 1 2 2 SER HB2 H 1 3.838 0.04 . 2 . . . A 189 SER HB2 . 11523 1 12 . 1 1 2 2 SER HB3 H 1 3.905 0.04 . 2 . . . A 189 SER HB3 . 11523 1 13 . 1 1 2 2 SER C C 13 174.298 0.40 . 1 . . . A 189 SER C . 11523 1 14 . 1 1 2 2 SER CA C 13 58.685 0.40 . 1 . . . A 189 SER CA . 11523 1 15 . 1 1 2 2 SER CB C 13 63.744 0.40 . 1 . . . A 189 SER CB . 11523 1 16 . 1 1 2 2 SER N N 15 118.215 0.40 . 1 . . . A 189 SER N . 11523 1 17 . 1 1 3 3 ALA H H 1 8.333 0.04 . 1 . . . A 190 ALA H . 11523 1 18 . 1 1 3 3 ALA HA H 1 4.367 0.04 . 1 . . . A 190 ALA HA . 11523 1 19 . 1 1 3 3 ALA HB1 H 1 1.394 0.04 . 1 . . . A 190 ALA HB1 . 11523 1 20 . 1 1 3 3 ALA HB2 H 1 1.394 0.04 . 1 . . . A 190 ALA HB2 . 11523 1 21 . 1 1 3 3 ALA HB3 H 1 1.394 0.04 . 1 . . . A 190 ALA HB3 . 11523 1 22 . 1 1 3 3 ALA C C 13 177.856 0.40 . 1 . . . A 190 ALA C . 11523 1 23 . 1 1 3 3 ALA CA C 13 52.616 0.40 . 1 . . . A 190 ALA CA . 11523 1 24 . 1 1 3 3 ALA CB C 13 19.075 0.40 . 1 . . . A 190 ALA CB . 11523 1 25 . 1 1 3 3 ALA N N 15 127.653 0.40 . 1 . . . A 190 ALA N . 11523 1 26 . 1 1 4 4 SER H H 1 8.191 0.04 . 1 . . . A 191 SER H . 11523 1 27 . 1 1 4 4 SER HA H 1 4.414 0.04 . 1 . . . A 191 SER HA . 11523 1 28 . 1 1 4 4 SER HB2 H 1 3.833 0.04 . 2 . . . A 191 SER HB2 . 11523 1 29 . 1 1 4 4 SER HB3 H 1 3.885 0.04 . 2 . . . A 191 SER HB3 . 11523 1 30 . 1 1 4 4 SER C C 13 174.452 0.40 . 1 . . . A 191 SER C . 11523 1 31 . 1 1 4 4 SER CA C 13 58.454 0.40 . 1 . . . A 191 SER CA . 11523 1 32 . 1 1 4 4 SER CB C 13 63.828 0.40 . 1 . . . A 191 SER CB . 11523 1 33 . 1 1 4 4 SER N N 15 116.415 0.40 . 1 . . . A 191 SER N . 11523 1 34 . 1 1 5 5 ASN H H 1 8.331 0.04 . 1 . . . A 192 ASN H . 11523 1 35 . 1 1 5 5 ASN HA H 1 4.752 0.04 . 1 . . . A 192 ASN HA . 11523 1 36 . 1 1 5 5 ASN HB2 H 1 2.841 0.04 . 2 . . . A 192 ASN HB2 . 11523 1 37 . 1 1 5 5 ASN HB3 H 1 2.795 0.04 . 2 . . . A 192 ASN HB3 . 11523 1 38 . 1 1 5 5 ASN C C 13 175.478 0.40 . 1 . . . A 192 ASN C . 11523 1 39 . 1 1 5 5 ASN CA C 13 53.457 0.40 . 1 . . . A 192 ASN CA . 11523 1 40 . 1 1 5 5 ASN CB C 13 38.847 0.40 . 1 . . . A 192 ASN CB . 11523 1 41 . 1 1 5 5 ASN N N 15 122.512 0.40 . 1 . . . A 192 ASN N . 11523 1 42 . 1 1 6 6 SER H H 1 8.236 0.04 . 1 . . . A 193 SER H . 11523 1 43 . 1 1 6 6 SER HA H 1 4.394 0.04 . 1 . . . A 193 SER HA . 11523 1 44 . 1 1 6 6 SER HB2 H 1 3.845 0.04 . 2 . . . A 193 SER HB2 . 11523 1 45 . 1 1 6 6 SER HB3 H 1 3.917 0.04 . 2 . . . A 193 SER HB3 . 11523 1 46 . 1 1 6 6 SER C C 13 174.914 0.40 . 1 . . . A 193 SER C . 11523 1 47 . 1 1 6 6 SER CA C 13 59.097 0.40 . 1 . . . A 193 SER CA . 11523 1 48 . 1 1 6 6 SER CB C 13 63.544 0.40 . 1 . . . A 193 SER CB . 11523 1 49 . 1 1 6 6 SER N N 15 117.776 0.40 . 1 . . . A 193 SER N . 11523 1 50 . 1 1 7 7 SER H H 1 8.301 0.04 . 1 . . . A 194 SER H . 11523 1 51 . 1 1 7 7 SER HA H 1 4.393 0.04 . 1 . . . A 194 SER HA . 11523 1 52 . 1 1 7 7 SER HB2 H 1 3.832 0.04 . 2 . . . A 194 SER HB2 . 11523 1 53 . 1 1 7 7 SER HB3 H 1 3.920 0.04 . 2 . . . A 194 SER HB3 . 11523 1 54 . 1 1 7 7 SER C C 13 175.096 0.40 . 1 . . . A 194 SER C . 11523 1 55 . 1 1 7 7 SER CA C 13 59.265 0.40 . 1 . . . A 194 SER CA . 11523 1 56 . 1 1 7 7 SER CB C 13 63.406 0.40 . 1 . . . A 194 SER CB . 11523 1 57 . 1 1 7 7 SER N N 15 119.840 0.40 . 1 . . . A 194 SER N . 11523 1 58 . 1 1 8 8 VAL H H 1 7.905 0.04 . 1 . . . A 195 VAL H . 11523 1 59 . 1 1 8 8 VAL HA H 1 4.000 0.04 . 1 . . . A 195 VAL HA . 11523 1 60 . 1 1 8 8 VAL HB H 1 2.066 0.04 . 1 . . . A 195 VAL HB . 11523 1 61 . 1 1 8 8 VAL HG11 H 1 0.869 0.04 . 1 . . . A 195 VAL HG11 . 11523 1 62 . 1 1 8 8 VAL HG12 H 1 0.869 0.04 . 1 . . . A 195 VAL HG12 . 11523 1 63 . 1 1 8 8 VAL HG13 H 1 0.869 0.04 . 1 . . . A 195 VAL HG13 . 11523 1 64 . 1 1 8 8 VAL HG21 H 1 0.924 0.04 . 1 . . . A 195 VAL HG21 . 11523 1 65 . 1 1 8 8 VAL HG22 H 1 0.924 0.04 . 1 . . . A 195 VAL HG22 . 11523 1 66 . 1 1 8 8 VAL HG23 H 1 0.924 0.04 . 1 . . . A 195 VAL HG23 . 11523 1 67 . 1 1 8 8 VAL C C 13 176.195 0.40 . 1 . . . A 195 VAL C . 11523 1 68 . 1 1 8 8 VAL CA C 13 63.201 0.40 . 1 . . . A 195 VAL CA . 11523 1 69 . 1 1 8 8 VAL CB C 13 32.254 0.40 . 1 . . . A 195 VAL CB . 11523 1 70 . 1 1 8 8 VAL CG1 C 13 21.089 0.40 . 1 . . . A 195 VAL CG1 . 11523 1 71 . 1 1 8 8 VAL CG2 C 13 20.721 0.40 . 1 . . . A 195 VAL CG2 . 11523 1 72 . 1 1 8 8 VAL N N 15 123.626 0.40 . 1 . . . A 195 VAL N . 11523 1 73 . 1 1 9 9 LEU H H 1 7.964 0.04 . 1 . . . A 196 LEU H . 11523 1 74 . 1 1 9 9 LEU HA H 1 4.240 0.04 . 1 . . . A 196 LEU HA . 11523 1 75 . 1 1 9 9 LEU HB2 H 1 1.619 0.04 . 2 . . . A 196 LEU HB2 . 11523 1 76 . 1 1 9 9 LEU HB3 H 1 1.555 0.04 . 2 . . . A 196 LEU HB3 . 11523 1 77 . 1 1 9 9 LEU HG H 1 1.539 0.04 . 1 . . . A 196 LEU HG . 11523 1 78 . 1 1 9 9 LEU HD11 H 1 0.881 0.04 . 1 . . . A 196 LEU HD11 . 11523 1 79 . 1 1 9 9 LEU HD12 H 1 0.881 0.04 . 1 . . . A 196 LEU HD12 . 11523 1 80 . 1 1 9 9 LEU HD13 H 1 0.881 0.04 . 1 . . . A 196 LEU HD13 . 11523 1 81 . 1 1 9 9 LEU HD21 H 1 0.806 0.04 . 1 . . . A 196 LEU HD21 . 11523 1 82 . 1 1 9 9 LEU HD22 H 1 0.806 0.04 . 1 . . . A 196 LEU HD22 . 11523 1 83 . 1 1 9 9 LEU HD23 H 1 0.806 0.04 . 1 . . . A 196 LEU HD23 . 11523 1 84 . 1 1 9 9 LEU C C 13 177.577 0.40 . 1 . . . A 196 LEU C . 11523 1 85 . 1 1 9 9 LEU CA C 13 55.821 0.40 . 1 . . . A 196 LEU CA . 11523 1 86 . 1 1 9 9 LEU CB C 13 41.976 0.40 . 1 . . . A 196 LEU CB . 11523 1 87 . 1 1 9 9 LEU CG C 13 27.032 0.40 . 1 . . . A 196 LEU CG . 11523 1 88 . 1 1 9 9 LEU CD1 C 13 24.732 0.40 . 1 . . . A 196 LEU CD1 . 11523 1 89 . 1 1 9 9 LEU CD2 C 13 23.446 0.40 . 1 . . . A 196 LEU CD2 . 11523 1 90 . 1 1 9 9 LEU N N 15 125.310 0.40 . 1 . . . A 196 LEU N . 11523 1 91 . 1 1 10 10 LEU H H 1 7.954 0.04 . 1 . . . A 197 LEU H . 11523 1 92 . 1 1 10 10 LEU HA H 1 4.250 0.04 . 1 . . . A 197 LEU HA . 11523 1 93 . 1 1 10 10 LEU HB2 H 1 1.583 0.04 . 2 . . . A 197 LEU HB2 . 11523 1 94 . 1 1 10 10 LEU HB3 H 1 1.637 0.04 . 2 . . . A 197 LEU HB3 . 11523 1 95 . 1 1 10 10 LEU HG H 1 1.544 0.04 . 1 . . . A 197 LEU HG . 11523 1 96 . 1 1 10 10 LEU HD11 H 1 0.889 0.04 . 1 . . . A 197 LEU HD11 . 11523 1 97 . 1 1 10 10 LEU HD12 H 1 0.889 0.04 . 1 . . . A 197 LEU HD12 . 11523 1 98 . 1 1 10 10 LEU HD13 H 1 0.889 0.04 . 1 . . . A 197 LEU HD13 . 11523 1 99 . 1 1 10 10 LEU HD21 H 1 0.823 0.04 . 1 . . . A 197 LEU HD21 . 11523 1 100 . 1 1 10 10 LEU HD22 H 1 0.823 0.04 . 1 . . . A 197 LEU HD22 . 11523 1 101 . 1 1 10 10 LEU HD23 H 1 0.823 0.04 . 1 . . . A 197 LEU HD23 . 11523 1 102 . 1 1 10 10 LEU C C 13 177.334 0.40 . 1 . . . A 197 LEU C . 11523 1 103 . 1 1 10 10 LEU CA C 13 55.720 0.40 . 1 . . . A 197 LEU CA . 11523 1 104 . 1 1 10 10 LEU CB C 13 42.169 0.40 . 1 . . . A 197 LEU CB . 11523 1 105 . 1 1 10 10 LEU CG C 13 27.029 0.40 . 1 . . . A 197 LEU CG . 11523 1 106 . 1 1 10 10 LEU CD1 C 13 24.732 0.40 . 1 . . . A 197 LEU CD1 . 11523 1 107 . 1 1 10 10 LEU CD2 C 13 23.442 0.40 . 1 . . . A 197 LEU CD2 . 11523 1 108 . 1 1 10 10 LEU N N 15 123.630 0.40 . 1 . . . A 197 LEU N . 11523 1 109 . 1 1 11 11 ALA H H 1 7.972 0.04 . 1 . . . A 198 ALA H . 11523 1 110 . 1 1 11 11 ALA HA H 1 4.264 0.04 . 1 . . . A 198 ALA HA . 11523 1 111 . 1 1 11 11 ALA HB1 H 1 1.360 0.04 . 1 . . . A 198 ALA HB1 . 11523 1 112 . 1 1 11 11 ALA HB2 H 1 1.360 0.04 . 1 . . . A 198 ALA HB2 . 11523 1 113 . 1 1 11 11 ALA HB3 H 1 1.360 0.04 . 1 . . . A 198 ALA HB3 . 11523 1 114 . 1 1 11 11 ALA C C 13 178.358 0.40 . 1 . . . A 198 ALA C . 11523 1 115 . 1 1 11 11 ALA CA C 13 53.048 0.40 . 1 . . . A 198 ALA CA . 11523 1 116 . 1 1 11 11 ALA CB C 13 18.848 0.40 . 1 . . . A 198 ALA CB . 11523 1 117 . 1 1 11 11 ALA N N 15 125.250 0.40 . 1 . . . A 198 ALA N . 11523 1 118 . 1 1 12 12 VAL H H 1 7.900 0.04 . 1 . . . A 199 VAL H . 11523 1 119 . 1 1 12 12 VAL HA H 1 3.998 0.04 . 1 . . . A 199 VAL HA . 11523 1 120 . 1 1 12 12 VAL HB H 1 2.049 0.04 . 1 . . . A 199 VAL HB . 11523 1 121 . 1 1 12 12 VAL HG11 H 1 0.922 0.04 . 1 . . . A 199 VAL HG11 . 11523 1 122 . 1 1 12 12 VAL HG12 H 1 0.922 0.04 . 1 . . . A 199 VAL HG12 . 11523 1 123 . 1 1 12 12 VAL HG13 H 1 0.922 0.04 . 1 . . . A 199 VAL HG13 . 11523 1 124 . 1 1 12 12 VAL HG21 H 1 0.856 0.04 . 1 . . . A 199 VAL HG21 . 11523 1 125 . 1 1 12 12 VAL HG22 H 1 0.856 0.04 . 1 . . . A 199 VAL HG22 . 11523 1 126 . 1 1 12 12 VAL HG23 H 1 0.856 0.04 . 1 . . . A 199 VAL HG23 . 11523 1 127 . 1 1 12 12 VAL C C 13 176.657 0.40 . 1 . . . A 199 VAL C . 11523 1 128 . 1 1 12 12 VAL CA C 13 63.176 0.40 . 1 . . . A 199 VAL CA . 11523 1 129 . 1 1 12 12 VAL CB C 13 32.451 0.40 . 1 . . . A 199 VAL CB . 11523 1 130 . 1 1 12 12 VAL CG1 C 13 21.134 0.40 . 1 . . . A 199 VAL CG1 . 11523 1 131 . 1 1 12 12 VAL CG2 C 13 20.680 0.40 . 1 . . . A 199 VAL CG2 . 11523 1 132 . 1 1 12 12 VAL N N 15 120.139 0.40 . 1 . . . A 199 VAL N . 11523 1 133 . 1 1 13 13 GLN H H 1 8.258 0.04 . 1 . . . A 200 GLN H . 11523 1 134 . 1 1 13 13 GLN HA H 1 4.306 0.04 . 1 . . . A 200 GLN HA . 11523 1 135 . 1 1 13 13 GLN HB2 H 1 2.046 0.04 . 2 . . . A 200 GLN HB2 . 11523 1 136 . 1 1 13 13 GLN HB3 H 1 1.980 0.04 . 2 . . . A 200 GLN HB3 . 11523 1 137 . 1 1 13 13 GLN HG2 H 1 2.347 0.04 . 2 . . . A 200 GLN HG2 . 11523 1 138 . 1 1 13 13 GLN HG3 H 1 2.390 0.04 . 2 . . . A 200 GLN HG3 . 11523 1 139 . 1 1 13 13 GLN C C 13 176.392 0.40 . 1 . . . A 200 GLN C . 11523 1 140 . 1 1 13 13 GLN CA C 13 56.406 0.40 . 1 . . . A 200 GLN CA . 11523 1 141 . 1 1 13 13 GLN CB C 13 29.305 0.40 . 1 . . . A 200 GLN CB . 11523 1 142 . 1 1 13 13 GLN CG C 13 33.671 0.40 . 1 . . . A 200 GLN CG . 11523 1 143 . 1 1 13 13 GLN N N 15 124.463 0.40 . 1 . . . A 200 GLN N . 11523 1 144 . 1 1 14 14 GLN H H 1 8.395 0.04 . 1 . . . A 201 GLN H . 11523 1 145 . 1 1 14 14 GLN HA H 1 4.398 0.04 . 1 . . . A 201 GLN HA . 11523 1 146 . 1 1 14 14 GLN HB2 H 1 2.027 0.04 . 2 . . . A 201 GLN HB2 . 11523 1 147 . 1 1 14 14 GLN HB3 H 1 2.118 0.04 . 2 . . . A 201 GLN HB3 . 11523 1 148 . 1 1 14 14 GLN HG2 H 1 2.415 0.04 . 2 . . . A 201 GLN HG2 . 11523 1 149 . 1 1 14 14 GLN HG3 H 1 2.339 0.04 . 2 . . . A 201 GLN HG3 . 11523 1 150 . 1 1 14 14 GLN C C 13 176.169 0.40 . 1 . . . A 201 GLN C . 11523 1 151 . 1 1 14 14 GLN CA C 13 56.202 0.40 . 1 . . . A 201 GLN CA . 11523 1 152 . 1 1 14 14 GLN CB C 13 29.440 0.40 . 1 . . . A 201 GLN CB . 11523 1 153 . 1 1 14 14 GLN CG C 13 33.784 0.40 . 1 . . . A 201 GLN CG . 11523 1 154 . 1 1 14 14 GLN N N 15 122.281 0.40 . 1 . . . A 201 GLN N . 11523 1 155 . 1 1 15 15 SER H H 1 8.190 0.04 . 1 . . . A 202 SER H . 11523 1 156 . 1 1 15 15 SER HA H 1 4.479 0.04 . 1 . . . A 202 SER HA . 11523 1 157 . 1 1 15 15 SER HB2 H 1 3.887 0.04 . 2 . . . A 202 SER HB2 . 11523 1 158 . 1 1 15 15 SER HB3 H 1 3.937 0.04 . 2 . . . A 202 SER HB3 . 11523 1 159 . 1 1 15 15 SER C C 13 174.809 0.40 . 1 . . . A 202 SER C . 11523 1 160 . 1 1 15 15 SER CA C 13 58.748 0.40 . 1 . . . A 202 SER CA . 11523 1 161 . 1 1 15 15 SER CB C 13 63.982 0.40 . 1 . . . A 202 SER CB . 11523 1 162 . 1 1 15 15 SER N N 15 117.989 0.40 . 1 . . . A 202 SER N . 11523 1 163 . 1 1 16 16 GLY H H 1 8.201 0.04 . 1 . . . A 203 GLY H . 11523 1 164 . 1 1 16 16 GLY HA2 H 1 3.862 0.04 . 2 . . . A 203 GLY HA2 . 11523 1 165 . 1 1 16 16 GLY HA3 H 1 3.966 0.04 . 2 . . . A 203 GLY HA3 . 11523 1 166 . 1 1 16 16 GLY C C 13 173.178 0.40 . 1 . . . A 203 GLY C . 11523 1 167 . 1 1 16 16 GLY CA C 13 45.047 0.40 . 1 . . . A 203 GLY CA . 11523 1 168 . 1 1 16 16 GLY N N 15 112.111 0.40 . 1 . . . A 203 GLY N . 11523 1 169 . 1 1 17 17 ALA H H 1 7.518 0.04 . 1 . . . A 204 ALA H . 11523 1 170 . 1 1 17 17 ALA HA H 1 2.334 0.04 . 1 . . . A 204 ALA HA . 11523 1 171 . 1 1 17 17 ALA HB1 H 1 0.954 0.04 . 1 . . . A 204 ALA HB1 . 11523 1 172 . 1 1 17 17 ALA HB2 H 1 0.954 0.04 . 1 . . . A 204 ALA HB2 . 11523 1 173 . 1 1 17 17 ALA HB3 H 1 0.954 0.04 . 1 . . . A 204 ALA HB3 . 11523 1 174 . 1 1 17 17 ALA C C 13 176.622 0.40 . 1 . . . A 204 ALA C . 11523 1 175 . 1 1 17 17 ALA CA C 13 52.145 0.40 . 1 . . . A 204 ALA CA . 11523 1 176 . 1 1 17 17 ALA CB C 13 19.366 0.40 . 1 . . . A 204 ALA CB . 11523 1 177 . 1 1 17 17 ALA N N 15 123.187 0.40 . 1 . . . A 204 ALA N . 11523 1 178 . 1 1 18 18 CYS H H 1 6.948 0.04 . 1 . . . A 205 CYS H . 11523 1 179 . 1 1 18 18 CYS HA H 1 4.526 0.04 . 1 . . . A 205 CYS HA . 11523 1 180 . 1 1 18 18 CYS HB2 H 1 3.063 0.04 . 2 . . . A 205 CYS HB2 . 11523 1 181 . 1 1 18 18 CYS HB3 H 1 3.177 0.04 . 2 . . . A 205 CYS HB3 . 11523 1 182 . 1 1 18 18 CYS C C 13 171.904 0.40 . 1 . . . A 205 CYS C . 11523 1 183 . 1 1 18 18 CYS CA C 13 56.431 0.40 . 1 . . . A 205 CYS CA . 11523 1 184 . 1 1 18 18 CYS CB C 13 29.194 0.40 . 1 . . . A 205 CYS CB . 11523 1 185 . 1 1 18 18 CYS N N 15 116.934 0.40 . 1 . . . A 205 CYS N . 11523 1 186 . 1 1 19 19 ARG H H 1 8.489 0.04 . 1 . . . A 206 ARG H . 11523 1 187 . 1 1 19 19 ARG HA H 1 3.968 0.04 . 1 . . . A 206 ARG HA . 11523 1 188 . 1 1 19 19 ARG HB2 H 1 1.594 0.04 . 1 . . . A 206 ARG HB2 . 11523 1 189 . 1 1 19 19 ARG HB3 H 1 2.164 0.04 . 1 . . . A 206 ARG HB3 . 11523 1 190 . 1 1 19 19 ARG HG2 H 1 1.673 0.04 . 2 . . . A 206 ARG HG2 . 11523 1 191 . 1 1 19 19 ARG HG3 H 1 1.701 0.04 . 2 . . . A 206 ARG HG3 . 11523 1 192 . 1 1 19 19 ARG HD2 H 1 3.179 0.04 . 2 . . . A 206 ARG HD2 . 11523 1 193 . 1 1 19 19 ARG HD3 H 1 3.136 0.04 . 2 . . . A 206 ARG HD3 . 11523 1 194 . 1 1 19 19 ARG C C 13 174.814 0.40 . 1 . . . A 206 ARG C . 11523 1 195 . 1 1 19 19 ARG CA C 13 58.600 0.40 . 1 . . . A 206 ARG CA . 11523 1 196 . 1 1 19 19 ARG CB C 13 30.438 0.40 . 1 . . . A 206 ARG CB . 11523 1 197 . 1 1 19 19 ARG CG C 13 29.102 0.40 . 1 . . . A 206 ARG CG . 11523 1 198 . 1 1 19 19 ARG CD C 13 43.408 0.40 . 1 . . . A 206 ARG CD . 11523 1 199 . 1 1 19 19 ARG N N 15 118.738 0.40 . 1 . . . A 206 ARG N . 11523 1 200 . 1 1 20 20 ASN H H 1 7.809 0.04 . 1 . . . A 207 ASN H . 11523 1 201 . 1 1 20 20 ASN HA H 1 5.481 0.04 . 1 . . . A 207 ASN HA . 11523 1 202 . 1 1 20 20 ASN HB2 H 1 2.855 0.04 . 1 . . . A 207 ASN HB2 . 11523 1 203 . 1 1 20 20 ASN HB3 H 1 2.748 0.04 . 1 . . . A 207 ASN HB3 . 11523 1 204 . 1 1 20 20 ASN C C 13 174.022 0.40 . 1 . . . A 207 ASN C . 11523 1 205 . 1 1 20 20 ASN CA C 13 52.885 0.40 . 1 . . . A 207 ASN CA . 11523 1 206 . 1 1 20 20 ASN CB C 13 40.388 0.40 . 1 . . . A 207 ASN CB . 11523 1 207 . 1 1 20 20 ASN N N 15 118.733 0.40 . 1 . . . A 207 ASN N . 11523 1 208 . 1 1 21 21 VAL H H 1 9.346 0.04 . 1 . . . A 208 VAL H . 11523 1 209 . 1 1 21 21 VAL HA H 1 4.523 0.04 . 1 . . . A 208 VAL HA . 11523 1 210 . 1 1 21 21 VAL HB H 1 1.956 0.04 . 1 . . . A 208 VAL HB . 11523 1 211 . 1 1 21 21 VAL HG11 H 1 0.741 0.04 . 1 . . . A 208 VAL HG11 . 11523 1 212 . 1 1 21 21 VAL HG12 H 1 0.741 0.04 . 1 . . . A 208 VAL HG12 . 11523 1 213 . 1 1 21 21 VAL HG13 H 1 0.741 0.04 . 1 . . . A 208 VAL HG13 . 11523 1 214 . 1 1 21 21 VAL HG21 H 1 1.061 0.04 . 1 . . . A 208 VAL HG21 . 11523 1 215 . 1 1 21 21 VAL HG22 H 1 1.061 0.04 . 1 . . . A 208 VAL HG22 . 11523 1 216 . 1 1 21 21 VAL HG23 H 1 1.061 0.04 . 1 . . . A 208 VAL HG23 . 11523 1 217 . 1 1 21 21 VAL C C 13 173.535 0.40 . 1 . . . A 208 VAL C . 11523 1 218 . 1 1 21 21 VAL CA C 13 62.012 0.40 . 1 . . . A 208 VAL CA . 11523 1 219 . 1 1 21 21 VAL CB C 13 35.039 0.40 . 1 . . . A 208 VAL CB . 11523 1 220 . 1 1 21 21 VAL CG1 C 13 21.417 0.40 . 1 . . . A 208 VAL CG1 . 11523 1 221 . 1 1 21 21 VAL CG2 C 13 22.603 0.40 . 1 . . . A 208 VAL CG2 . 11523 1 222 . 1 1 21 21 VAL N N 15 126.663 0.40 . 1 . . . A 208 VAL N . 11523 1 223 . 1 1 22 22 PHE H H 1 9.208 0.04 . 1 . . . A 209 PHE H . 11523 1 224 . 1 1 22 22 PHE HA H 1 4.878 0.04 . 1 . . . A 209 PHE HA . 11523 1 225 . 1 1 22 22 PHE HB2 H 1 2.435 0.04 . 2 . . . A 209 PHE HB2 . 11523 1 226 . 1 1 22 22 PHE HB3 H 1 2.542 0.04 . 2 . . . A 209 PHE HB3 . 11523 1 227 . 1 1 22 22 PHE HD1 H 1 6.807 0.04 . 3 . . . A 209 PHE HD1 . 11523 1 228 . 1 1 22 22 PHE HE1 H 1 7.043 0.04 . 3 . . . A 209 PHE HE1 . 11523 1 229 . 1 1 22 22 PHE C C 13 172.675 0.40 . 1 . . . A 209 PHE C . 11523 1 230 . 1 1 22 22 PHE CA C 13 56.284 0.40 . 1 . . . A 209 PHE CA . 11523 1 231 . 1 1 22 22 PHE CB C 13 41.155 0.40 . 1 . . . A 209 PHE CB . 11523 1 232 . 1 1 22 22 PHE CD1 C 13 131.952 0.40 . 3 . . . A 209 PHE CD1 . 11523 1 233 . 1 1 22 22 PHE N N 15 129.867 0.40 . 1 . . . A 209 PHE N . 11523 1 234 . 1 1 23 23 LEU H H 1 8.351 0.04 . 1 . . . A 210 LEU H . 11523 1 235 . 1 1 23 23 LEU HA H 1 5.240 0.04 . 1 . . . A 210 LEU HA . 11523 1 236 . 1 1 23 23 LEU HB2 H 1 1.802 0.04 . 1 . . . A 210 LEU HB2 . 11523 1 237 . 1 1 23 23 LEU HB3 H 1 1.439 0.04 . 1 . . . A 210 LEU HB3 . 11523 1 238 . 1 1 23 23 LEU HG H 1 1.573 0.04 . 1 . . . A 210 LEU HG . 11523 1 239 . 1 1 23 23 LEU HD11 H 1 0.834 0.04 . 1 . . . A 210 LEU HD11 . 11523 1 240 . 1 1 23 23 LEU HD12 H 1 0.834 0.04 . 1 . . . A 210 LEU HD12 . 11523 1 241 . 1 1 23 23 LEU HD13 H 1 0.834 0.04 . 1 . . . A 210 LEU HD13 . 11523 1 242 . 1 1 23 23 LEU HD21 H 1 0.757 0.04 . 1 . . . A 210 LEU HD21 . 11523 1 243 . 1 1 23 23 LEU HD22 H 1 0.757 0.04 . 1 . . . A 210 LEU HD22 . 11523 1 244 . 1 1 23 23 LEU HD23 H 1 0.757 0.04 . 1 . . . A 210 LEU HD23 . 11523 1 245 . 1 1 23 23 LEU C C 13 175.097 0.40 . 1 . . . A 210 LEU C . 11523 1 246 . 1 1 23 23 LEU CA C 13 51.908 0.40 . 1 . . . A 210 LEU CA . 11523 1 247 . 1 1 23 23 LEU CB C 13 44.380 0.40 . 1 . . . A 210 LEU CB . 11523 1 248 . 1 1 23 23 LEU CG C 13 26.576 0.40 . 1 . . . A 210 LEU CG . 11523 1 249 . 1 1 23 23 LEU CD1 C 13 26.920 0.40 . 1 . . . A 210 LEU CD1 . 11523 1 250 . 1 1 23 23 LEU CD2 C 13 24.243 0.40 . 1 . . . A 210 LEU CD2 . 11523 1 251 . 1 1 23 23 LEU N N 15 125.331 0.40 . 1 . . . A 210 LEU N . 11523 1 252 . 1 1 24 24 GLY H H 1 9.326 0.04 . 1 . . . A 211 GLY H . 11523 1 253 . 1 1 24 24 GLY HA2 H 1 3.680 0.04 . 2 . . . A 211 GLY HA2 . 11523 1 254 . 1 1 24 24 GLY HA3 H 1 4.995 0.04 . 2 . . . A 211 GLY HA3 . 11523 1 255 . 1 1 24 24 GLY C C 13 173.475 0.40 . 1 . . . A 211 GLY C . 11523 1 256 . 1 1 24 24 GLY CA C 13 43.691 0.40 . 1 . . . A 211 GLY CA . 11523 1 257 . 1 1 24 24 GLY N N 15 108.889 0.40 . 1 . . . A 211 GLY N . 11523 1 258 . 1 1 25 25 ASN H H 1 8.905 0.04 . 1 . . . A 212 ASN H . 11523 1 259 . 1 1 25 25 ASN HA H 1 4.353 0.04 . 1 . . . A 212 ASN HA . 11523 1 260 . 1 1 25 25 ASN HB2 H 1 2.787 0.04 . 2 . . . A 212 ASN HB2 . 11523 1 261 . 1 1 25 25 ASN HB3 H 1 3.312 0.04 . 2 . . . A 212 ASN HB3 . 11523 1 262 . 1 1 25 25 ASN C C 13 174.483 0.40 . 1 . . . A 212 ASN C . 11523 1 263 . 1 1 25 25 ASN CA C 13 53.828 0.40 . 1 . . . A 212 ASN CA . 11523 1 264 . 1 1 25 25 ASN CB C 13 37.499 0.40 . 1 . . . A 212 ASN CB . 11523 1 265 . 1 1 25 25 ASN N N 15 117.624 0.40 . 1 . . . A 212 ASN N . 11523 1 266 . 1 1 26 26 LEU H H 1 7.799 0.04 . 1 . . . A 213 LEU H . 11523 1 267 . 1 1 26 26 LEU HA H 1 3.987 0.04 . 1 . . . A 213 LEU HA . 11523 1 268 . 1 1 26 26 LEU HB2 H 1 1.113 0.04 . 1 . . . A 213 LEU HB2 . 11523 1 269 . 1 1 26 26 LEU HB3 H 1 1.275 0.04 . 1 . . . A 213 LEU HB3 . 11523 1 270 . 1 1 26 26 LEU HG H 1 1.442 0.04 . 1 . . . A 213 LEU HG . 11523 1 271 . 1 1 26 26 LEU HD11 H 1 0.605 0.04 . 2 . . . A 213 LEU HD11 . 11523 1 272 . 1 1 26 26 LEU HD12 H 1 0.605 0.04 . 2 . . . A 213 LEU HD12 . 11523 1 273 . 1 1 26 26 LEU HD13 H 1 0.605 0.04 . 2 . . . A 213 LEU HD13 . 11523 1 274 . 1 1 26 26 LEU HD21 H 1 0.638 0.04 . 2 . . . A 213 LEU HD21 . 11523 1 275 . 1 1 26 26 LEU HD22 H 1 0.638 0.04 . 2 . . . A 213 LEU HD22 . 11523 1 276 . 1 1 26 26 LEU HD23 H 1 0.638 0.04 . 2 . . . A 213 LEU HD23 . 11523 1 277 . 1 1 26 26 LEU C C 13 174.480 0.40 . 1 . . . A 213 LEU C . 11523 1 278 . 1 1 26 26 LEU CA C 13 52.752 0.40 . 1 . . . A 213 LEU CA . 11523 1 279 . 1 1 26 26 LEU CB C 13 40.079 0.40 . 1 . . . A 213 LEU CB . 11523 1 280 . 1 1 26 26 LEU CG C 13 26.467 0.40 . 1 . . . A 213 LEU CG . 11523 1 281 . 1 1 26 26 LEU CD1 C 13 26.217 0.40 . 1 . . . A 213 LEU CD1 . 11523 1 282 . 1 1 26 26 LEU CD2 C 13 22.373 0.40 . 1 . . . A 213 LEU CD2 . 11523 1 283 . 1 1 26 26 LEU N N 15 116.745 0.40 . 1 . . . A 213 LEU N . 11523 1 284 . 1 1 27 27 PRO HA H 1 4.366 0.04 . 1 . . . A 214 PRO HA . 11523 1 285 . 1 1 27 27 PRO HB2 H 1 2.143 0.04 . 2 . . . A 214 PRO HB2 . 11523 1 286 . 1 1 27 27 PRO HB3 H 1 1.742 0.04 . 2 . . . A 214 PRO HB3 . 11523 1 287 . 1 1 27 27 PRO HG2 H 1 1.857 0.04 . 2 . . . A 214 PRO HG2 . 11523 1 288 . 1 1 27 27 PRO HG3 H 1 1.814 0.04 . 2 . . . A 214 PRO HG3 . 11523 1 289 . 1 1 27 27 PRO HD2 H 1 3.322 0.04 . 2 . . . A 214 PRO HD2 . 11523 1 290 . 1 1 27 27 PRO HD3 H 1 3.119 0.04 . 2 . . . A 214 PRO HD3 . 11523 1 291 . 1 1 27 27 PRO C C 13 177.168 0.40 . 1 . . . A 214 PRO C . 11523 1 292 . 1 1 27 27 PRO CA C 13 61.948 0.40 . 1 . . . A 214 PRO CA . 11523 1 293 . 1 1 27 27 PRO CB C 13 31.641 0.40 . 1 . . . A 214 PRO CB . 11523 1 294 . 1 1 27 27 PRO CG C 13 27.650 0.40 . 1 . . . A 214 PRO CG . 11523 1 295 . 1 1 27 27 PRO CD C 13 49.511 0.40 . 1 . . . A 214 PRO CD . 11523 1 296 . 1 1 28 28 ASN H H 1 8.549 0.04 . 1 . . . A 215 ASN H . 11523 1 297 . 1 1 28 28 ASN HA H 1 4.355 0.04 . 1 . . . A 215 ASN HA . 11523 1 298 . 1 1 28 28 ASN HB2 H 1 2.683 0.04 . 2 . . . A 215 ASN HB2 . 11523 1 299 . 1 1 28 28 ASN HB3 H 1 2.648 0.04 . 2 . . . A 215 ASN HB3 . 11523 1 300 . 1 1 28 28 ASN C C 13 176.945 0.40 . 1 . . . A 215 ASN C . 11523 1 301 . 1 1 28 28 ASN CA C 13 54.682 0.40 . 1 . . . A 215 ASN CA . 11523 1 302 . 1 1 28 28 ASN CB C 13 38.089 0.40 . 1 . . . A 215 ASN CB . 11523 1 303 . 1 1 28 28 ASN N N 15 122.324 0.40 . 1 . . . A 215 ASN N . 11523 1 304 . 1 1 29 29 GLY H H 1 8.741 0.04 . 1 . . . A 216 GLY H . 11523 1 305 . 1 1 29 29 GLY HA2 H 1 3.985 0.04 . 2 . . . A 216 GLY HA2 . 11523 1 306 . 1 1 29 29 GLY HA3 H 1 3.718 0.04 . 2 . . . A 216 GLY HA3 . 11523 1 307 . 1 1 29 29 GLY C C 13 174.276 0.40 . 1 . . . A 216 GLY C . 11523 1 308 . 1 1 29 29 GLY CA C 13 45.335 0.40 . 1 . . . A 216 GLY CA . 11523 1 309 . 1 1 29 29 GLY N N 15 113.212 0.40 . 1 . . . A 216 GLY N . 11523 1 310 . 1 1 30 30 ILE H H 1 6.900 0.04 . 1 . . . A 217 ILE H . 11523 1 311 . 1 1 30 30 ILE HA H 1 4.222 0.04 . 1 . . . A 217 ILE HA . 11523 1 312 . 1 1 30 30 ILE HB H 1 1.663 0.04 . 1 . . . A 217 ILE HB . 11523 1 313 . 1 1 30 30 ILE HG12 H 1 1.651 0.04 . 2 . . . A 217 ILE HG12 . 11523 1 314 . 1 1 30 30 ILE HG13 H 1 1.322 0.04 . 2 . . . A 217 ILE HG13 . 11523 1 315 . 1 1 30 30 ILE HG21 H 1 0.768 0.04 . 1 . . . A 217 ILE HG21 . 11523 1 316 . 1 1 30 30 ILE HG22 H 1 0.768 0.04 . 1 . . . A 217 ILE HG22 . 11523 1 317 . 1 1 30 30 ILE HG23 H 1 0.768 0.04 . 1 . . . A 217 ILE HG23 . 11523 1 318 . 1 1 30 30 ILE HD11 H 1 0.743 0.04 . 1 . . . A 217 ILE HD11 . 11523 1 319 . 1 1 30 30 ILE HD12 H 1 0.743 0.04 . 1 . . . A 217 ILE HD12 . 11523 1 320 . 1 1 30 30 ILE HD13 H 1 0.743 0.04 . 1 . . . A 217 ILE HD13 . 11523 1 321 . 1 1 30 30 ILE C C 13 173.173 0.40 . 1 . . . A 217 ILE C . 11523 1 322 . 1 1 30 30 ILE CA C 13 61.366 0.40 . 1 . . . A 217 ILE CA . 11523 1 323 . 1 1 30 30 ILE CB C 13 38.321 0.40 . 1 . . . A 217 ILE CB . 11523 1 324 . 1 1 30 30 ILE CG1 C 13 29.568 0.40 . 1 . . . A 217 ILE CG1 . 11523 1 325 . 1 1 30 30 ILE CG2 C 13 16.772 0.40 . 1 . . . A 217 ILE CG2 . 11523 1 326 . 1 1 30 30 ILE CD1 C 13 14.653 0.40 . 1 . . . A 217 ILE CD1 . 11523 1 327 . 1 1 30 30 ILE N N 15 122.653 0.40 . 1 . . . A 217 ILE N . 11523 1 328 . 1 1 31 31 THR H H 1 7.710 0.04 . 1 . . . A 218 THR H . 11523 1 329 . 1 1 31 31 THR HA H 1 4.691 0.04 . 1 . . . A 218 THR HA . 11523 1 330 . 1 1 31 31 THR HB H 1 4.635 0.04 . 1 . . . A 218 THR HB . 11523 1 331 . 1 1 31 31 THR HG21 H 1 1.289 0.04 . 1 . . . A 218 THR HG21 . 11523 1 332 . 1 1 31 31 THR HG22 H 1 1.289 0.04 . 1 . . . A 218 THR HG22 . 11523 1 333 . 1 1 31 31 THR HG23 H 1 1.289 0.04 . 1 . . . A 218 THR HG23 . 11523 1 334 . 1 1 31 31 THR C C 13 175.504 0.40 . 1 . . . A 218 THR C . 11523 1 335 . 1 1 31 31 THR CA C 13 59.485 0.40 . 1 . . . A 218 THR CA . 11523 1 336 . 1 1 31 31 THR CB C 13 72.819 0.40 . 1 . . . A 218 THR CB . 11523 1 337 . 1 1 31 31 THR CG2 C 13 21.458 0.40 . 1 . . . A 218 THR CG2 . 11523 1 338 . 1 1 31 31 THR N N 15 116.592 0.40 . 1 . . . A 218 THR N . 11523 1 339 . 1 1 32 32 GLU H H 1 9.154 0.04 . 1 . . . A 219 GLU H . 11523 1 340 . 1 1 32 32 GLU HA H 1 3.675 0.04 . 1 . . . A 219 GLU HA . 11523 1 341 . 1 1 32 32 GLU HB2 H 1 2.085 0.04 . 2 . . . A 219 GLU HB2 . 11523 1 342 . 1 1 32 32 GLU HB3 H 1 1.962 0.04 . 2 . . . A 219 GLU HB3 . 11523 1 343 . 1 1 32 32 GLU HG2 H 1 2.229 0.04 . 2 . . . A 219 GLU HG2 . 11523 1 344 . 1 1 32 32 GLU HG3 H 1 2.193 0.04 . 2 . . . A 219 GLU HG3 . 11523 1 345 . 1 1 32 32 GLU C C 13 178.123 0.40 . 1 . . . A 219 GLU C . 11523 1 346 . 1 1 32 32 GLU CA C 13 60.385 0.40 . 1 . . . A 219 GLU CA . 11523 1 347 . 1 1 32 32 GLU CB C 13 29.263 0.40 . 1 . . . A 219 GLU CB . 11523 1 348 . 1 1 32 32 GLU CG C 13 36.964 0.40 . 1 . . . A 219 GLU CG . 11523 1 349 . 1 1 32 32 GLU N N 15 123.120 0.40 . 1 . . . A 219 GLU N . 11523 1 350 . 1 1 33 33 ASP H H 1 8.307 0.04 . 1 . . . A 220 ASP H . 11523 1 351 . 1 1 33 33 ASP HA H 1 4.286 0.04 . 1 . . . A 220 ASP HA . 11523 1 352 . 1 1 33 33 ASP HB2 H 1 2.522 0.04 . 2 . . . A 220 ASP HB2 . 11523 1 353 . 1 1 33 33 ASP HB3 H 1 2.629 0.04 . 2 . . . A 220 ASP HB3 . 11523 1 354 . 1 1 33 33 ASP C C 13 178.281 0.40 . 1 . . . A 220 ASP C . 11523 1 355 . 1 1 33 33 ASP CA C 13 57.487 0.40 . 1 . . . A 220 ASP CA . 11523 1 356 . 1 1 33 33 ASP CB C 13 40.249 0.40 . 1 . . . A 220 ASP CB . 11523 1 357 . 1 1 33 33 ASP N N 15 118.758 0.40 . 1 . . . A 220 ASP N . 11523 1 358 . 1 1 34 34 GLU H H 1 7.574 0.04 . 1 . . . A 221 GLU H . 11523 1 359 . 1 1 34 34 GLU HA H 1 4.041 0.04 . 1 . . . A 221 GLU HA . 11523 1 360 . 1 1 34 34 GLU HB2 H 1 2.207 0.04 . 1 . . . A 221 GLU HB2 . 11523 1 361 . 1 1 34 34 GLU HB3 H 1 1.918 0.04 . 1 . . . A 221 GLU HB3 . 11523 1 362 . 1 1 34 34 GLU HG2 H 1 2.206 0.04 . 2 . . . A 221 GLU HG2 . 11523 1 363 . 1 1 34 34 GLU HG3 H 1 2.309 0.04 . 2 . . . A 221 GLU HG3 . 11523 1 364 . 1 1 34 34 GLU C C 13 179.055 0.40 . 1 . . . A 221 GLU C . 11523 1 365 . 1 1 34 34 GLU CA C 13 59.180 0.40 . 1 . . . A 221 GLU CA . 11523 1 366 . 1 1 34 34 GLU CB C 13 29.761 0.40 . 1 . . . A 221 GLU CB . 11523 1 367 . 1 1 34 34 GLU CG C 13 37.106 0.40 . 1 . . . A 221 GLU CG . 11523 1 368 . 1 1 34 34 GLU N N 15 122.075 0.40 . 1 . . . A 221 GLU N . 11523 1 369 . 1 1 35 35 ILE H H 1 7.521 0.04 . 1 . . . A 222 ILE H . 11523 1 370 . 1 1 35 35 ILE HA H 1 3.760 0.04 . 1 . . . A 222 ILE HA . 11523 1 371 . 1 1 35 35 ILE HB H 1 1.911 0.04 . 1 . . . A 222 ILE HB . 11523 1 372 . 1 1 35 35 ILE HG12 H 1 1.885 0.04 . 2 . . . A 222 ILE HG12 . 11523 1 373 . 1 1 35 35 ILE HG13 H 1 0.953 0.04 . 2 . . . A 222 ILE HG13 . 11523 1 374 . 1 1 35 35 ILE HG21 H 1 0.736 0.04 . 1 . . . A 222 ILE HG21 . 11523 1 375 . 1 1 35 35 ILE HG22 H 1 0.736 0.04 . 1 . . . A 222 ILE HG22 . 11523 1 376 . 1 1 35 35 ILE HG23 H 1 0.736 0.04 . 1 . . . A 222 ILE HG23 . 11523 1 377 . 1 1 35 35 ILE HD11 H 1 0.639 0.04 . 1 . . . A 222 ILE HD11 . 11523 1 378 . 1 1 35 35 ILE HD12 H 1 0.639 0.04 . 1 . . . A 222 ILE HD12 . 11523 1 379 . 1 1 35 35 ILE HD13 H 1 0.639 0.04 . 1 . . . A 222 ILE HD13 . 11523 1 380 . 1 1 35 35 ILE C C 13 177.572 0.40 . 1 . . . A 222 ILE C . 11523 1 381 . 1 1 35 35 ILE CA C 13 65.719 0.40 . 1 . . . A 222 ILE CA . 11523 1 382 . 1 1 35 35 ILE CB C 13 37.733 0.40 . 1 . . . A 222 ILE CB . 11523 1 383 . 1 1 35 35 ILE CG1 C 13 29.199 0.40 . 1 . . . A 222 ILE CG1 . 11523 1 384 . 1 1 35 35 ILE CG2 C 13 18.165 0.40 . 1 . . . A 222 ILE CG2 . 11523 1 385 . 1 1 35 35 ILE CD1 C 13 13.362 0.40 . 1 . . . A 222 ILE CD1 . 11523 1 386 . 1 1 35 35 ILE N N 15 120.513 0.40 . 1 . . . A 222 ILE N . 11523 1 387 . 1 1 36 36 ARG H H 1 8.766 0.04 . 1 . . . A 223 ARG H . 11523 1 388 . 1 1 36 36 ARG HA H 1 3.591 0.04 . 1 . . . A 223 ARG HA . 11523 1 389 . 1 1 36 36 ARG HB2 H 1 1.632 0.04 . 2 . . . A 223 ARG HB2 . 11523 1 390 . 1 1 36 36 ARG HB3 H 1 1.854 0.04 . 2 . . . A 223 ARG HB3 . 11523 1 391 . 1 1 36 36 ARG HG2 H 1 1.630 0.04 . 2 . . . A 223 ARG HG2 . 11523 1 392 . 1 1 36 36 ARG HG3 H 1 1.423 0.04 . 2 . . . A 223 ARG HG3 . 11523 1 393 . 1 1 36 36 ARG HD2 H 1 3.135 0.04 . 2 . . . A 223 ARG HD2 . 11523 1 394 . 1 1 36 36 ARG HD3 H 1 3.300 0.04 . 2 . . . A 223 ARG HD3 . 11523 1 395 . 1 1 36 36 ARG C C 13 177.842 0.40 . 1 . . . A 223 ARG C . 11523 1 396 . 1 1 36 36 ARG CA C 13 61.291 0.40 . 1 . . . A 223 ARG CA . 11523 1 397 . 1 1 36 36 ARG CB C 13 29.809 0.40 . 1 . . . A 223 ARG CB . 11523 1 398 . 1 1 36 36 ARG CG C 13 29.776 0.40 . 1 . . . A 223 ARG CG . 11523 1 399 . 1 1 36 36 ARG CD C 13 42.883 0.40 . 1 . . . A 223 ARG CD . 11523 1 400 . 1 1 36 36 ARG N N 15 120.769 0.40 . 1 . . . A 223 ARG N . 11523 1 401 . 1 1 37 37 GLU H H 1 7.928 0.04 . 1 . . . A 224 GLU H . 11523 1 402 . 1 1 37 37 GLU HA H 1 3.972 0.04 . 1 . . . A 224 GLU HA . 11523 1 403 . 1 1 37 37 GLU HB2 H 1 2.043 0.04 . 2 . . . A 224 GLU HB2 . 11523 1 404 . 1 1 37 37 GLU HB3 H 1 2.154 0.04 . 2 . . . A 224 GLU HB3 . 11523 1 405 . 1 1 37 37 GLU HG2 H 1 2.354 0.04 . 2 . . . A 224 GLU HG2 . 11523 1 406 . 1 1 37 37 GLU HG3 H 1 2.300 0.04 . 2 . . . A 224 GLU HG3 . 11523 1 407 . 1 1 37 37 GLU C C 13 177.992 0.40 . 1 . . . A 224 GLU C . 11523 1 408 . 1 1 37 37 GLU CA C 13 59.343 0.40 . 1 . . . A 224 GLU CA . 11523 1 409 . 1 1 37 37 GLU CB C 13 29.448 0.40 . 1 . . . A 224 GLU CB . 11523 1 410 . 1 1 37 37 GLU CG C 13 35.950 0.40 . 1 . . . A 224 GLU CG . 11523 1 411 . 1 1 37 37 GLU N N 15 118.732 0.40 . 1 . . . A 224 GLU N . 11523 1 412 . 1 1 38 38 ASP H H 1 7.161 0.04 . 1 . . . A 225 ASP H . 11523 1 413 . 1 1 38 38 ASP HA H 1 4.771 0.04 . 1 . . . A 225 ASP HA . 11523 1 414 . 1 1 38 38 ASP HB2 H 1 2.755 0.04 . 2 . . . A 225 ASP HB2 . 11523 1 415 . 1 1 38 38 ASP HB3 H 1 2.636 0.04 . 2 . . . A 225 ASP HB3 . 11523 1 416 . 1 1 38 38 ASP C C 13 176.391 0.40 . 1 . . . A 225 ASP C . 11523 1 417 . 1 1 38 38 ASP CA C 13 55.310 0.40 . 1 . . . A 225 ASP CA . 11523 1 418 . 1 1 38 38 ASP CB C 13 41.285 0.40 . 1 . . . A 225 ASP CB . 11523 1 419 . 1 1 38 38 ASP N N 15 116.637 0.40 . 1 . . . A 225 ASP N . 11523 1 420 . 1 1 39 39 LEU H H 1 8.071 0.04 . 1 . . . A 226 LEU H . 11523 1 421 . 1 1 39 39 LEU HA H 1 4.890 0.04 . 1 . . . A 226 LEU HA . 11523 1 422 . 1 1 39 39 LEU HB2 H 1 1.737 0.04 . 2 . . . A 226 LEU HB2 . 11523 1 423 . 1 1 39 39 LEU HB3 H 1 1.849 0.04 . 2 . . . A 226 LEU HB3 . 11523 1 424 . 1 1 39 39 LEU HG H 1 1.734 0.04 . 1 . . . A 226 LEU HG . 11523 1 425 . 1 1 39 39 LEU HD11 H 1 0.740 0.04 . 1 . . . A 226 LEU HD11 . 11523 1 426 . 1 1 39 39 LEU HD12 H 1 0.740 0.04 . 1 . . . A 226 LEU HD12 . 11523 1 427 . 1 1 39 39 LEU HD13 H 1 0.740 0.04 . 1 . . . A 226 LEU HD13 . 11523 1 428 . 1 1 39 39 LEU HD21 H 1 0.676 0.04 . 1 . . . A 226 LEU HD21 . 11523 1 429 . 1 1 39 39 LEU HD22 H 1 0.676 0.04 . 1 . . . A 226 LEU HD22 . 11523 1 430 . 1 1 39 39 LEU HD23 H 1 0.676 0.04 . 1 . . . A 226 LEU HD23 . 11523 1 431 . 1 1 39 39 LEU C C 13 177.163 0.40 . 1 . . . A 226 LEU C . 11523 1 432 . 1 1 39 39 LEU CA C 13 55.797 0.40 . 1 . . . A 226 LEU CA . 11523 1 433 . 1 1 39 39 LEU CB C 13 41.601 0.40 . 1 . . . A 226 LEU CB . 11523 1 434 . 1 1 39 39 LEU CG C 13 30.441 0.40 . 1 . . . A 226 LEU CG . 11523 1 435 . 1 1 39 39 LEU CD1 C 13 24.969 0.40 . 1 . . . A 226 LEU CD1 . 11523 1 436 . 1 1 39 39 LEU CD2 C 13 24.393 0.40 . 1 . . . A 226 LEU CD2 . 11523 1 437 . 1 1 39 39 LEU N N 15 122.169 0.40 . 1 . . . A 226 LEU N . 11523 1 438 . 1 1 40 40 GLU H H 1 8.665 0.04 . 1 . . . A 227 GLU H . 11523 1 439 . 1 1 40 40 GLU HA H 1 4.586 0.04 . 1 . . . A 227 GLU HA . 11523 1 440 . 1 1 40 40 GLU HB2 H 1 2.001 0.04 . 1 . . . A 227 GLU HB2 . 11523 1 441 . 1 1 40 40 GLU HB3 H 1 2.193 0.04 . 1 . . . A 227 GLU HB3 . 11523 1 442 . 1 1 40 40 GLU C C 13 175.941 0.40 . 1 . . . A 227 GLU C . 11523 1 443 . 1 1 40 40 GLU CA C 13 59.714 0.40 . 1 . . . A 227 GLU CA . 11523 1 444 . 1 1 40 40 GLU CB C 13 28.195 0.40 . 1 . . . A 227 GLU CB . 11523 1 445 . 1 1 40 40 GLU N N 15 123.339 0.40 . 1 . . . A 227 GLU N . 11523 1 446 . 1 1 41 41 PRO HA H 1 4.119 0.04 . 1 . . . A 228 PRO HA . 11523 1 447 . 1 1 41 41 PRO HB2 H 1 0.825 0.04 . 2 . . . A 228 PRO HB2 . 11523 1 448 . 1 1 41 41 PRO HB3 H 1 2.066 0.04 . 2 . . . A 228 PRO HB3 . 11523 1 449 . 1 1 41 41 PRO HG2 H 1 1.807 0.04 . 2 . . . A 228 PRO HG2 . 11523 1 450 . 1 1 41 41 PRO HG3 H 1 1.761 0.04 . 2 . . . A 228 PRO HG3 . 11523 1 451 . 1 1 41 41 PRO HD2 H 1 3.581 0.04 . 2 . . . A 228 PRO HD2 . 11523 1 452 . 1 1 41 41 PRO HD3 H 1 2.927 0.04 . 2 . . . A 228 PRO HD3 . 11523 1 453 . 1 1 41 41 PRO C C 13 178.085 0.40 . 1 . . . A 228 PRO C . 11523 1 454 . 1 1 41 41 PRO CA C 13 65.547 0.40 . 1 . . . A 228 PRO CA . 11523 1 455 . 1 1 41 41 PRO CB C 13 31.086 0.40 . 1 . . . A 228 PRO CB . 11523 1 456 . 1 1 41 41 PRO CG C 13 28.477 0.40 . 1 . . . A 228 PRO CG . 11523 1 457 . 1 1 41 41 PRO CD C 13 51.697 0.40 . 1 . . . A 228 PRO CD . 11523 1 458 . 1 1 42 42 PHE H H 1 7.605 0.04 . 1 . . . A 229 PHE H . 11523 1 459 . 1 1 42 42 PHE HA H 1 4.247 0.04 . 1 . . . A 229 PHE HA . 11523 1 460 . 1 1 42 42 PHE HB2 H 1 3.083 0.04 . 2 . . . A 229 PHE HB2 . 11523 1 461 . 1 1 42 42 PHE HB3 H 1 3.198 0.04 . 2 . . . A 229 PHE HB3 . 11523 1 462 . 1 1 42 42 PHE HD1 H 1 7.368 0.04 . 3 . . . A 229 PHE HD1 . 11523 1 463 . 1 1 42 42 PHE HE1 H 1 7.068 0.04 . 3 . . . A 229 PHE HE1 . 11523 1 464 . 1 1 42 42 PHE C C 13 175.500 0.40 . 1 . . . A 229 PHE C . 11523 1 465 . 1 1 42 42 PHE CA C 13 60.082 0.40 . 1 . . . A 229 PHE CA . 11523 1 466 . 1 1 42 42 PHE CB C 13 38.066 0.40 . 1 . . . A 229 PHE CB . 11523 1 467 . 1 1 42 42 PHE CD1 C 13 131.520 0.40 . 3 . . . A 229 PHE CD1 . 11523 1 468 . 1 1 42 42 PHE N N 15 115.638 0.40 . 1 . . . A 229 PHE N . 11523 1 469 . 1 1 43 43 GLY H H 1 7.607 0.04 . 1 . . . A 230 GLY H . 11523 1 470 . 1 1 43 43 GLY HA2 H 1 4.405 0.04 . 2 . . . A 230 GLY HA2 . 11523 1 471 . 1 1 43 43 GLY HA3 H 1 3.981 0.04 . 2 . . . A 230 GLY HA3 . 11523 1 472 . 1 1 43 43 GLY C C 13 180.285 0.40 . 1 . . . A 230 GLY C . 11523 1 473 . 1 1 43 43 GLY CA C 13 44.980 0.40 . 1 . . . A 230 GLY CA . 11523 1 474 . 1 1 43 43 GLY N N 15 109.255 0.40 . 1 . . . A 230 GLY N . 11523 1 475 . 1 1 44 44 PRO HA H 1 4.558 0.04 . 1 . . . A 231 PRO HA . 11523 1 476 . 1 1 44 44 PRO HB2 H 1 2.324 0.04 . 2 . . . A 231 PRO HB2 . 11523 1 477 . 1 1 44 44 PRO HB3 H 1 1.891 0.04 . 2 . . . A 231 PRO HB3 . 11523 1 478 . 1 1 44 44 PRO HG2 H 1 2.070 0.04 . 2 . . . A 231 PRO HG2 . 11523 1 479 . 1 1 44 44 PRO HG3 H 1 2.054 0.04 . 2 . . . A 231 PRO HG3 . 11523 1 480 . 1 1 44 44 PRO HD2 H 1 3.706 0.04 . 2 . . . A 231 PRO HD2 . 11523 1 481 . 1 1 44 44 PRO HD3 H 1 3.623 0.04 . 2 . . . A 231 PRO HD3 . 11523 1 482 . 1 1 44 44 PRO C C 13 176.972 0.40 . 1 . . . A 231 PRO C . 11523 1 483 . 1 1 44 44 PRO CA C 13 63.190 0.40 . 1 . . . A 231 PRO CA . 11523 1 484 . 1 1 44 44 PRO CB C 13 32.367 0.40 . 1 . . . A 231 PRO CB . 11523 1 485 . 1 1 44 44 PRO CG C 13 27.491 0.40 . 1 . . . A 231 PRO CG . 11523 1 486 . 1 1 44 44 PRO CD C 13 49.634 0.40 . 1 . . . A 231 PRO CD . 11523 1 487 . 1 1 45 45 ILE H H 1 8.555 0.04 . 1 . . . A 232 ILE H . 11523 1 488 . 1 1 45 45 ILE HA H 1 4.382 0.04 . 1 . . . A 232 ILE HA . 11523 1 489 . 1 1 45 45 ILE HB H 1 1.400 0.04 . 1 . . . A 232 ILE HB . 11523 1 490 . 1 1 45 45 ILE HG12 H 1 -0.019 0.04 . 2 . . . A 232 ILE HG12 . 11523 1 491 . 1 1 45 45 ILE HG13 H 1 1.666 0.04 . 2 . . . A 232 ILE HG13 . 11523 1 492 . 1 1 45 45 ILE HG21 H 1 0.429 0.04 . 1 . . . A 232 ILE HG21 . 11523 1 493 . 1 1 45 45 ILE HG22 H 1 0.429 0.04 . 1 . . . A 232 ILE HG22 . 11523 1 494 . 1 1 45 45 ILE HG23 H 1 0.429 0.04 . 1 . . . A 232 ILE HG23 . 11523 1 495 . 1 1 45 45 ILE HD11 H 1 0.487 0.04 . 1 . . . A 232 ILE HD11 . 11523 1 496 . 1 1 45 45 ILE HD12 H 1 0.487 0.04 . 1 . . . A 232 ILE HD12 . 11523 1 497 . 1 1 45 45 ILE HD13 H 1 0.487 0.04 . 1 . . . A 232 ILE HD13 . 11523 1 498 . 1 1 45 45 ILE C C 13 176.281 0.40 . 1 . . . A 232 ILE C . 11523 1 499 . 1 1 45 45 ILE CA C 13 60.336 0.40 . 1 . . . A 232 ILE CA . 11523 1 500 . 1 1 45 45 ILE CB C 13 43.018 0.40 . 1 . . . A 232 ILE CB . 11523 1 501 . 1 1 45 45 ILE CG1 C 13 26.958 0.40 . 1 . . . A 232 ILE CG1 . 11523 1 502 . 1 1 45 45 ILE CG2 C 13 17.992 0.40 . 1 . . . A 232 ILE CG2 . 11523 1 503 . 1 1 45 45 ILE CD1 C 13 15.053 0.40 . 1 . . . A 232 ILE CD1 . 11523 1 504 . 1 1 45 45 ILE N N 15 123.976 0.40 . 1 . . . A 232 ILE N . 11523 1 505 . 1 1 46 46 ASP H H 1 9.014 0.04 . 1 . . . A 233 ASP H . 11523 1 506 . 1 1 46 46 ASP HA H 1 4.863 0.04 . 1 . . . A 233 ASP HA . 11523 1 507 . 1 1 46 46 ASP HB2 H 1 2.587 0.04 . 1 . . . A 233 ASP HB2 . 11523 1 508 . 1 1 46 46 ASP HB3 H 1 2.827 0.04 . 1 . . . A 233 ASP HB3 . 11523 1 509 . 1 1 46 46 ASP C C 13 176.037 0.40 . 1 . . . A 233 ASP C . 11523 1 510 . 1 1 46 46 ASP CA C 13 53.700 0.40 . 1 . . . A 233 ASP CA . 11523 1 511 . 1 1 46 46 ASP CB C 13 41.356 0.40 . 1 . . . A 233 ASP CB . 11523 1 512 . 1 1 46 46 ASP N N 15 125.424 0.40 . 1 . . . A 233 ASP N . 11523 1 513 . 1 1 47 47 GLN H H 1 7.458 0.04 . 1 . . . A 234 GLN H . 11523 1 514 . 1 1 47 47 GLN HA H 1 4.555 0.04 . 1 . . . A 234 GLN HA . 11523 1 515 . 1 1 47 47 GLN HB2 H 1 1.880 0.04 . 2 . . . A 234 GLN HB2 . 11523 1 516 . 1 1 47 47 GLN HB3 H 1 1.938 0.04 . 2 . . . A 234 GLN HB3 . 11523 1 517 . 1 1 47 47 GLN HG2 H 1 2.211 0.04 . 2 . . . A 234 GLN HG2 . 11523 1 518 . 1 1 47 47 GLN HG3 H 1 2.138 0.04 . 2 . . . A 234 GLN HG3 . 11523 1 519 . 1 1 47 47 GLN C C 13 173.468 0.40 . 1 . . . A 234 GLN C . 11523 1 520 . 1 1 47 47 GLN CA C 13 56.004 0.40 . 1 . . . A 234 GLN CA . 11523 1 521 . 1 1 47 47 GLN CB C 13 32.753 0.40 . 1 . . . A 234 GLN CB . 11523 1 522 . 1 1 47 47 GLN CG C 13 33.695 0.40 . 1 . . . A 234 GLN CG . 11523 1 523 . 1 1 47 47 GLN N N 15 119.625 0.40 . 1 . . . A 234 GLN N . 11523 1 524 . 1 1 48 48 ILE H H 1 8.460 0.04 . 1 . . . A 235 ILE H . 11523 1 525 . 1 1 48 48 ILE HA H 1 4.736 0.04 . 1 . . . A 235 ILE HA . 11523 1 526 . 1 1 48 48 ILE HB H 1 1.611 0.04 . 1 . . . A 235 ILE HB . 11523 1 527 . 1 1 48 48 ILE HG12 H 1 0.863 0.04 . 2 . . . A 235 ILE HG12 . 11523 1 528 . 1 1 48 48 ILE HG13 H 1 1.554 0.04 . 2 . . . A 235 ILE HG13 . 11523 1 529 . 1 1 48 48 ILE HG21 H 1 0.723 0.04 . 1 . . . A 235 ILE HG21 . 11523 1 530 . 1 1 48 48 ILE HG22 H 1 0.723 0.04 . 1 . . . A 235 ILE HG22 . 11523 1 531 . 1 1 48 48 ILE HG23 H 1 0.723 0.04 . 1 . . . A 235 ILE HG23 . 11523 1 532 . 1 1 48 48 ILE HD11 H 1 0.784 0.04 . 1 . . . A 235 ILE HD11 . 11523 1 533 . 1 1 48 48 ILE HD12 H 1 0.784 0.04 . 1 . . . A 235 ILE HD12 . 11523 1 534 . 1 1 48 48 ILE HD13 H 1 0.784 0.04 . 1 . . . A 235 ILE HD13 . 11523 1 535 . 1 1 48 48 ILE C C 13 173.881 0.40 . 1 . . . A 235 ILE C . 11523 1 536 . 1 1 48 48 ILE CA C 13 60.775 0.40 . 1 . . . A 235 ILE CA . 11523 1 537 . 1 1 48 48 ILE CB C 13 41.008 0.40 . 1 . . . A 235 ILE CB . 11523 1 538 . 1 1 48 48 ILE CG1 C 13 28.334 0.40 . 1 . . . A 235 ILE CG1 . 11523 1 539 . 1 1 48 48 ILE CG2 C 13 16.453 0.40 . 1 . . . A 235 ILE CG2 . 11523 1 540 . 1 1 48 48 ILE CD1 C 13 14.539 0.40 . 1 . . . A 235 ILE CD1 . 11523 1 541 . 1 1 48 48 ILE N N 15 125.209 0.40 . 1 . . . A 235 ILE N . 11523 1 542 . 1 1 49 49 LYS H H 1 8.923 0.04 . 1 . . . A 236 LYS H . 11523 1 543 . 1 1 49 49 LYS HA H 1 4.730 0.04 . 1 . . . A 236 LYS HA . 11523 1 544 . 1 1 49 49 LYS HB2 H 1 1.846 0.04 . 2 . . . A 236 LYS HB2 . 11523 1 545 . 1 1 49 49 LYS HB3 H 1 1.740 0.04 . 2 . . . A 236 LYS HB3 . 11523 1 546 . 1 1 49 49 LYS HG2 H 1 1.388 0.04 . 2 . . . A 236 LYS HG2 . 11523 1 547 . 1 1 49 49 LYS HG3 H 1 1.284 0.04 . 2 . . . A 236 LYS HG3 . 11523 1 548 . 1 1 49 49 LYS HD2 H 1 1.690 0.04 . 2 . . . A 236 LYS HD2 . 11523 1 549 . 1 1 49 49 LYS HD3 H 1 1.651 0.04 . 2 . . . A 236 LYS HD3 . 11523 1 550 . 1 1 49 49 LYS HE2 H 1 2.873 0.04 . 2 . . . A 236 LYS HE2 . 11523 1 551 . 1 1 49 49 LYS HE3 H 1 2.922 0.04 . 2 . . . A 236 LYS HE3 . 11523 1 552 . 1 1 49 49 LYS C C 13 174.532 0.40 . 1 . . . A 236 LYS C . 11523 1 553 . 1 1 49 49 LYS CA C 13 54.565 0.40 . 1 . . . A 236 LYS CA . 11523 1 554 . 1 1 49 49 LYS CB C 13 35.426 0.40 . 1 . . . A 236 LYS CB . 11523 1 555 . 1 1 49 49 LYS CG C 13 24.771 0.40 . 1 . . . A 236 LYS CG . 11523 1 556 . 1 1 49 49 LYS CD C 13 28.777 0.40 . 1 . . . A 236 LYS CD . 11523 1 557 . 1 1 49 49 LYS CE C 13 42.126 0.40 . 1 . . . A 236 LYS CE . 11523 1 558 . 1 1 49 49 LYS N N 15 129.982 0.40 . 1 . . . A 236 LYS N . 11523 1 559 . 1 1 50 50 ILE H H 1 9.036 0.04 . 1 . . . A 237 ILE H . 11523 1 560 . 1 1 50 50 ILE HA H 1 4.258 0.04 . 1 . . . A 237 ILE HA . 11523 1 561 . 1 1 50 50 ILE HB H 1 1.745 0.04 . 1 . . . A 237 ILE HB . 11523 1 562 . 1 1 50 50 ILE HG12 H 1 1.514 0.04 . 2 . . . A 237 ILE HG12 . 11523 1 563 . 1 1 50 50 ILE HG13 H 1 0.571 0.04 . 2 . . . A 237 ILE HG13 . 11523 1 564 . 1 1 50 50 ILE HG21 H 1 0.734 0.04 . 1 . . . A 237 ILE HG21 . 11523 1 565 . 1 1 50 50 ILE HG22 H 1 0.734 0.04 . 1 . . . A 237 ILE HG22 . 11523 1 566 . 1 1 50 50 ILE HG23 H 1 0.734 0.04 . 1 . . . A 237 ILE HG23 . 11523 1 567 . 1 1 50 50 ILE HD11 H 1 0.699 0.04 . 1 . . . A 237 ILE HD11 . 11523 1 568 . 1 1 50 50 ILE HD12 H 1 0.699 0.04 . 1 . . . A 237 ILE HD12 . 11523 1 569 . 1 1 50 50 ILE HD13 H 1 0.699 0.04 . 1 . . . A 237 ILE HD13 . 11523 1 570 . 1 1 50 50 ILE C C 13 175.906 0.40 . 1 . . . A 237 ILE C . 11523 1 571 . 1 1 50 50 ILE CA C 13 61.291 0.40 . 1 . . . A 237 ILE CA . 11523 1 572 . 1 1 50 50 ILE CB C 13 39.134 0.40 . 1 . . . A 237 ILE CB . 11523 1 573 . 1 1 50 50 ILE CG1 C 13 28.242 0.40 . 1 . . . A 237 ILE CG1 . 11523 1 574 . 1 1 50 50 ILE CG2 C 13 17.013 0.40 . 1 . . . A 237 ILE CG2 . 11523 1 575 . 1 1 50 50 ILE CD1 C 13 13.829 0.40 . 1 . . . A 237 ILE CD1 . 11523 1 576 . 1 1 50 50 ILE N N 15 128.576 0.40 . 1 . . . A 237 ILE N . 11523 1 577 . 1 1 51 51 VAL H H 1 8.968 0.04 . 1 . . . A 238 VAL H . 11523 1 578 . 1 1 51 51 VAL HA H 1 4.437 0.04 . 1 . . . A 238 VAL HA . 11523 1 579 . 1 1 51 51 VAL HB H 1 2.201 0.04 . 1 . . . A 238 VAL HB . 11523 1 580 . 1 1 51 51 VAL HG11 H 1 0.985 0.04 . 1 . . . A 238 VAL HG11 . 11523 1 581 . 1 1 51 51 VAL HG12 H 1 0.985 0.04 . 1 . . . A 238 VAL HG12 . 11523 1 582 . 1 1 51 51 VAL HG13 H 1 0.985 0.04 . 1 . . . A 238 VAL HG13 . 11523 1 583 . 1 1 51 51 VAL HG21 H 1 0.939 0.04 . 1 . . . A 238 VAL HG21 . 11523 1 584 . 1 1 51 51 VAL HG22 H 1 0.939 0.04 . 1 . . . A 238 VAL HG22 . 11523 1 585 . 1 1 51 51 VAL HG23 H 1 0.939 0.04 . 1 . . . A 238 VAL HG23 . 11523 1 586 . 1 1 51 51 VAL C C 13 176.875 0.40 . 1 . . . A 238 VAL C . 11523 1 587 . 1 1 51 51 VAL CA C 13 61.076 0.40 . 1 . . . A 238 VAL CA . 11523 1 588 . 1 1 51 51 VAL CB C 13 29.974 0.40 . 1 . . . A 238 VAL CB . 11523 1 589 . 1 1 51 51 VAL CG1 C 13 21.879 0.40 . 1 . . . A 238 VAL CG1 . 11523 1 590 . 1 1 51 51 VAL CG2 C 13 19.806 0.40 . 1 . . . A 238 VAL CG2 . 11523 1 591 . 1 1 51 51 VAL N N 15 132.590 0.40 . 1 . . . A 238 VAL N . 11523 1 592 . 1 1 52 52 THR H H 1 8.379 0.04 . 1 . . . A 239 THR H . 11523 1 593 . 1 1 52 52 THR HA H 1 3.864 0.04 . 1 . . . A 239 THR HA . 11523 1 594 . 1 1 52 52 THR HB H 1 4.144 0.04 . 1 . . . A 239 THR HB . 11523 1 595 . 1 1 52 52 THR HG21 H 1 1.304 0.04 . 1 . . . A 239 THR HG21 . 11523 1 596 . 1 1 52 52 THR HG22 H 1 1.304 0.04 . 1 . . . A 239 THR HG22 . 11523 1 597 . 1 1 52 52 THR HG23 H 1 1.304 0.04 . 1 . . . A 239 THR HG23 . 11523 1 598 . 1 1 52 52 THR C C 13 177.454 0.40 . 1 . . . A 239 THR C . 11523 1 599 . 1 1 52 52 THR CA C 13 66.400 0.40 . 1 . . . A 239 THR CA . 11523 1 600 . 1 1 52 52 THR CB C 13 68.539 0.40 . 1 . . . A 239 THR CB . 11523 1 601 . 1 1 52 52 THR CG2 C 13 21.782 0.40 . 1 . . . A 239 THR CG2 . 11523 1 602 . 1 1 52 52 THR N N 15 124.091 0.40 . 1 . . . A 239 THR N . 11523 1 603 . 1 1 53 53 GLU H H 1 9.686 0.04 . 1 . . . A 240 GLU H . 11523 1 604 . 1 1 53 53 GLU HA H 1 4.176 0.04 . 1 . . . A 240 GLU HA . 11523 1 605 . 1 1 53 53 GLU HB2 H 1 2.034 0.04 . 2 . . . A 240 GLU HB2 . 11523 1 606 . 1 1 53 53 GLU HB3 H 1 2.096 0.04 . 2 . . . A 240 GLU HB3 . 11523 1 607 . 1 1 53 53 GLU HG2 H 1 2.288 0.04 . 2 . . . A 240 GLU HG2 . 11523 1 608 . 1 1 53 53 GLU HG3 H 1 2.376 0.04 . 2 . . . A 240 GLU HG3 . 11523 1 609 . 1 1 53 53 GLU C C 13 176.707 0.40 . 1 . . . A 240 GLU C . 11523 1 610 . 1 1 53 53 GLU CA C 13 59.046 0.40 . 1 . . . A 240 GLU CA . 11523 1 611 . 1 1 53 53 GLU CB C 13 28.740 0.40 . 1 . . . A 240 GLU CB . 11523 1 612 . 1 1 53 53 GLU CG C 13 36.327 0.40 . 1 . . . A 240 GLU CG . 11523 1 613 . 1 1 53 53 GLU N N 15 121.576 0.40 . 1 . . . A 240 GLU N . 11523 1 614 . 1 1 54 54 ARG H H 1 7.202 0.04 . 1 . . . A 241 ARG H . 11523 1 615 . 1 1 54 54 ARG HA H 1 4.638 0.04 . 1 . . . A 241 ARG HA . 11523 1 616 . 1 1 54 54 ARG HB2 H 1 1.437 0.04 . 1 . . . A 241 ARG HB2 . 11523 1 617 . 1 1 54 54 ARG HB3 H 1 2.237 0.04 . 1 . . . A 241 ARG HB3 . 11523 1 618 . 1 1 54 54 ARG HG2 H 1 1.682 0.04 . 2 . . . A 241 ARG HG2 . 11523 1 619 . 1 1 54 54 ARG HG3 H 1 1.617 0.04 . 2 . . . A 241 ARG HG3 . 11523 1 620 . 1 1 54 54 ARG HD2 H 1 3.211 0.04 . 2 . . . A 241 ARG HD2 . 11523 1 621 . 1 1 54 54 ARG HD3 H 1 3.248 0.04 . 2 . . . A 241 ARG HD3 . 11523 1 622 . 1 1 54 54 ARG C C 13 174.763 0.40 . 1 . . . A 241 ARG C . 11523 1 623 . 1 1 54 54 ARG CA C 13 54.593 0.40 . 1 . . . A 241 ARG CA . 11523 1 624 . 1 1 54 54 ARG CB C 13 32.739 0.40 . 1 . . . A 241 ARG CB . 11523 1 625 . 1 1 54 54 ARG CG C 13 27.088 0.40 . 1 . . . A 241 ARG CG . 11523 1 626 . 1 1 54 54 ARG CD C 13 43.238 0.40 . 1 . . . A 241 ARG CD . 11523 1 627 . 1 1 54 54 ARG N N 15 116.063 0.40 . 1 . . . A 241 ARG N . 11523 1 628 . 1 1 55 55 ASN H H 1 7.872 0.04 . 1 . . . A 242 ASN H . 11523 1 629 . 1 1 55 55 ASN HA H 1 4.312 0.04 . 1 . . . A 242 ASN HA . 11523 1 630 . 1 1 55 55 ASN HB2 H 1 2.913 0.04 . 1 . . . A 242 ASN HB2 . 11523 1 631 . 1 1 55 55 ASN HB3 H 1 3.350 0.04 . 1 . . . A 242 ASN HB3 . 11523 1 632 . 1 1 55 55 ASN C C 13 173.464 0.40 . 1 . . . A 242 ASN C . 11523 1 633 . 1 1 55 55 ASN CA C 13 55.080 0.40 . 1 . . . A 242 ASN CA . 11523 1 634 . 1 1 55 55 ASN CB C 13 36.359 0.40 . 1 . . . A 242 ASN CB . 11523 1 635 . 1 1 55 55 ASN N N 15 117.756 0.40 . 1 . . . A 242 ASN N . 11523 1 636 . 1 1 56 56 ILE H H 1 7.116 0.04 . 1 . . . A 243 ILE H . 11523 1 637 . 1 1 56 56 ILE HA H 1 5.298 0.04 . 1 . . . A 243 ILE HA . 11523 1 638 . 1 1 56 56 ILE HB H 1 1.587 0.04 . 1 . . . A 243 ILE HB . 11523 1 639 . 1 1 56 56 ILE HG12 H 1 0.972 0.04 . 2 . . . A 243 ILE HG12 . 11523 1 640 . 1 1 56 56 ILE HG13 H 1 1.298 0.04 . 2 . . . A 243 ILE HG13 . 11523 1 641 . 1 1 56 56 ILE HG21 H 1 0.932 0.04 . 1 . . . A 243 ILE HG21 . 11523 1 642 . 1 1 56 56 ILE HG22 H 1 0.932 0.04 . 1 . . . A 243 ILE HG22 . 11523 1 643 . 1 1 56 56 ILE HG23 H 1 0.932 0.04 . 1 . . . A 243 ILE HG23 . 11523 1 644 . 1 1 56 56 ILE HD11 H 1 0.889 0.04 . 1 . . . A 243 ILE HD11 . 11523 1 645 . 1 1 56 56 ILE HD12 H 1 0.889 0.04 . 1 . . . A 243 ILE HD12 . 11523 1 646 . 1 1 56 56 ILE HD13 H 1 0.889 0.04 . 1 . . . A 243 ILE HD13 . 11523 1 647 . 1 1 56 56 ILE C C 13 173.661 0.40 . 1 . . . A 243 ILE C . 11523 1 648 . 1 1 56 56 ILE CA C 13 58.392 0.40 . 1 . . . A 243 ILE CA . 11523 1 649 . 1 1 56 56 ILE CB C 13 42.863 0.40 . 1 . . . A 243 ILE CB . 11523 1 650 . 1 1 56 56 ILE CG1 C 13 26.462 0.40 . 1 . . . A 243 ILE CG1 . 11523 1 651 . 1 1 56 56 ILE CG2 C 13 18.050 0.40 . 1 . . . A 243 ILE CG2 . 11523 1 652 . 1 1 56 56 ILE CD1 C 13 14.251 0.40 . 1 . . . A 243 ILE CD1 . 11523 1 653 . 1 1 56 56 ILE N N 15 111.255 0.40 . 1 . . . A 243 ILE N . 11523 1 654 . 1 1 57 57 ALA H H 1 8.913 0.04 . 1 . . . A 244 ALA H . 11523 1 655 . 1 1 57 57 ALA HA H 1 5.126 0.04 . 1 . . . A 244 ALA HA . 11523 1 656 . 1 1 57 57 ALA HB1 H 1 1.080 0.04 . 1 . . . A 244 ALA HB1 . 11523 1 657 . 1 1 57 57 ALA HB2 H 1 1.080 0.04 . 1 . . . A 244 ALA HB2 . 11523 1 658 . 1 1 57 57 ALA HB3 H 1 1.080 0.04 . 1 . . . A 244 ALA HB3 . 11523 1 659 . 1 1 57 57 ALA C C 13 173.882 0.40 . 1 . . . A 244 ALA C . 11523 1 660 . 1 1 57 57 ALA CA C 13 50.231 0.40 . 1 . . . A 244 ALA CA . 11523 1 661 . 1 1 57 57 ALA CB C 13 23.776 0.40 . 1 . . . A 244 ALA CB . 11523 1 662 . 1 1 57 57 ALA N N 15 123.052 0.40 . 1 . . . A 244 ALA N . 11523 1 663 . 1 1 58 58 PHE H H 1 8.867 0.04 . 1 . . . A 245 PHE H . 11523 1 664 . 1 1 58 58 PHE HA H 1 5.254 0.04 . 1 . . . A 245 PHE HA . 11523 1 665 . 1 1 58 58 PHE HB2 H 1 2.758 0.04 . 1 . . . A 245 PHE HB2 . 11523 1 666 . 1 1 58 58 PHE HB3 H 1 3.008 0.04 . 1 . . . A 245 PHE HB3 . 11523 1 667 . 1 1 58 58 PHE HD1 H 1 6.969 0.04 . 3 . . . A 245 PHE HD1 . 11523 1 668 . 1 1 58 58 PHE HE1 H 1 7.216 0.04 . 3 . . . A 245 PHE HE1 . 11523 1 669 . 1 1 58 58 PHE C C 13 175.127 0.40 . 1 . . . A 245 PHE C . 11523 1 670 . 1 1 58 58 PHE CA C 13 55.844 0.40 . 1 . . . A 245 PHE CA . 11523 1 671 . 1 1 58 58 PHE CB C 13 41.693 0.40 . 1 . . . A 245 PHE CB . 11523 1 672 . 1 1 58 58 PHE CD1 C 13 131.733 0.40 . 3 . . . A 245 PHE CD1 . 11523 1 673 . 1 1 58 58 PHE N N 15 119.325 0.40 . 1 . . . A 245 PHE N . 11523 1 674 . 1 1 59 59 VAL H H 1 9.188 0.04 . 1 . . . A 246 VAL H . 11523 1 675 . 1 1 59 59 VAL HA H 1 4.495 0.04 . 1 . . . A 246 VAL HA . 11523 1 676 . 1 1 59 59 VAL HB H 1 1.747 0.04 . 1 . . . A 246 VAL HB . 11523 1 677 . 1 1 59 59 VAL HG11 H 1 0.342 0.04 . 1 . . . A 246 VAL HG11 . 11523 1 678 . 1 1 59 59 VAL HG12 H 1 0.342 0.04 . 1 . . . A 246 VAL HG12 . 11523 1 679 . 1 1 59 59 VAL HG13 H 1 0.342 0.04 . 1 . . . A 246 VAL HG13 . 11523 1 680 . 1 1 59 59 VAL HG21 H 1 0.639 0.04 . 1 . . . A 246 VAL HG21 . 11523 1 681 . 1 1 59 59 VAL HG22 H 1 0.639 0.04 . 1 . . . A 246 VAL HG22 . 11523 1 682 . 1 1 59 59 VAL HG23 H 1 0.639 0.04 . 1 . . . A 246 VAL HG23 . 11523 1 683 . 1 1 59 59 VAL C C 13 173.135 0.40 . 1 . . . A 246 VAL C . 11523 1 684 . 1 1 59 59 VAL CA C 13 60.430 0.40 . 1 . . . A 246 VAL CA . 11523 1 685 . 1 1 59 59 VAL CB C 13 34.586 0.40 . 1 . . . A 246 VAL CB . 11523 1 686 . 1 1 59 59 VAL CG1 C 13 21.637 0.40 . 1 . . . A 246 VAL CG1 . 11523 1 687 . 1 1 59 59 VAL CG2 C 13 21.208 0.40 . 1 . . . A 246 VAL CG2 . 11523 1 688 . 1 1 59 59 VAL N N 15 124.976 0.40 . 1 . . . A 246 VAL N . 11523 1 689 . 1 1 60 60 HIS H H 1 8.503 0.04 . 1 . . . A 247 HIS H . 11523 1 690 . 1 1 60 60 HIS HA H 1 5.289 0.04 . 1 . . . A 247 HIS HA . 11523 1 691 . 1 1 60 60 HIS HB2 H 1 3.020 0.04 . 2 . . . A 247 HIS HB2 . 11523 1 692 . 1 1 60 60 HIS HB3 H 1 3.217 0.04 . 2 . . . A 247 HIS HB3 . 11523 1 693 . 1 1 60 60 HIS HD2 H 1 7.234 0.04 . 1 . . . A 247 HIS HD2 . 11523 1 694 . 1 1 60 60 HIS C C 13 173.752 0.40 . 1 . . . A 247 HIS C . 11523 1 695 . 1 1 60 60 HIS CA C 13 55.312 0.40 . 1 . . . A 247 HIS CA . 11523 1 696 . 1 1 60 60 HIS CB C 13 30.276 0.40 . 1 . . . A 247 HIS CB . 11523 1 697 . 1 1 60 60 HIS CD2 C 13 119.662 0.40 . 1 . . . A 247 HIS CD2 . 11523 1 698 . 1 1 60 60 HIS N N 15 126.789 0.40 . 1 . . . A 247 HIS N . 11523 1 699 . 1 1 61 61 PHE H H 1 8.325 0.04 . 1 . . . A 248 PHE H . 11523 1 700 . 1 1 61 61 PHE HA H 1 4.628 0.04 . 1 . . . A 248 PHE HA . 11523 1 701 . 1 1 61 61 PHE HB2 H 1 2.632 0.04 . 2 . . . A 248 PHE HB2 . 11523 1 702 . 1 1 61 61 PHE HB3 H 1 3.275 0.04 . 2 . . . A 248 PHE HB3 . 11523 1 703 . 1 1 61 61 PHE HD1 H 1 7.105 0.04 . 3 . . . A 248 PHE HD1 . 11523 1 704 . 1 1 61 61 PHE C C 13 175.204 0.40 . 1 . . . A 248 PHE C . 11523 1 705 . 1 1 61 61 PHE CA C 13 58.797 0.40 . 1 . . . A 248 PHE CA . 11523 1 706 . 1 1 61 61 PHE CB C 13 40.981 0.40 . 1 . . . A 248 PHE CB . 11523 1 707 . 1 1 61 61 PHE CD1 C 13 132.582 0.40 . 3 . . . A 248 PHE CD1 . 11523 1 708 . 1 1 61 61 PHE N N 15 126.912 0.40 . 1 . . . A 248 PHE N . 11523 1 709 . 1 1 62 62 LEU H H 1 7.910 0.04 . 1 . . . A 249 LEU H . 11523 1 710 . 1 1 62 62 LEU HA H 1 4.037 0.04 . 1 . . . A 249 LEU HA . 11523 1 711 . 1 1 62 62 LEU HB2 H 1 1.559 0.04 . 2 . . . A 249 LEU HB2 . 11523 1 712 . 1 1 62 62 LEU HB3 H 1 1.635 0.04 . 2 . . . A 249 LEU HB3 . 11523 1 713 . 1 1 62 62 LEU HG H 1 1.525 0.04 . 1 . . . A 249 LEU HG . 11523 1 714 . 1 1 62 62 LEU HD11 H 1 0.905 0.04 . 1 . . . A 249 LEU HD11 . 11523 1 715 . 1 1 62 62 LEU HD12 H 1 0.905 0.04 . 1 . . . A 249 LEU HD12 . 11523 1 716 . 1 1 62 62 LEU HD13 H 1 0.905 0.04 . 1 . . . A 249 LEU HD13 . 11523 1 717 . 1 1 62 62 LEU HD21 H 1 0.880 0.04 . 1 . . . A 249 LEU HD21 . 11523 1 718 . 1 1 62 62 LEU HD22 H 1 0.880 0.04 . 1 . . . A 249 LEU HD22 . 11523 1 719 . 1 1 62 62 LEU HD23 H 1 0.880 0.04 . 1 . . . A 249 LEU HD23 . 11523 1 720 . 1 1 62 62 LEU C C 13 177.977 0.40 . 1 . . . A 249 LEU C . 11523 1 721 . 1 1 62 62 LEU CA C 13 57.211 0.40 . 1 . . . A 249 LEU CA . 11523 1 722 . 1 1 62 62 LEU CB C 13 42.162 0.40 . 1 . . . A 249 LEU CB . 11523 1 723 . 1 1 62 62 LEU CG C 13 27.857 0.40 . 1 . . . A 249 LEU CG . 11523 1 724 . 1 1 62 62 LEU CD1 C 13 24.726 0.40 . 1 . . . A 249 LEU CD1 . 11523 1 725 . 1 1 62 62 LEU CD2 C 13 23.786 0.40 . 1 . . . A 249 LEU CD2 . 11523 1 726 . 1 1 62 62 LEU N N 15 118.777 0.40 . 1 . . . A 249 LEU N . 11523 1 727 . 1 1 63 63 ASN H H 1 8.515 0.04 . 1 . . . A 250 ASN H . 11523 1 728 . 1 1 63 63 ASN HA H 1 5.086 0.04 . 1 . . . A 250 ASN HA . 11523 1 729 . 1 1 63 63 ASN HB2 H 1 2.727 0.04 . 1 . . . A 250 ASN HB2 . 11523 1 730 . 1 1 63 63 ASN HB3 H 1 2.932 0.04 . 1 . . . A 250 ASN HB3 . 11523 1 731 . 1 1 63 63 ASN C C 13 175.019 0.40 . 1 . . . A 250 ASN C . 11523 1 732 . 1 1 63 63 ASN CA C 13 51.571 0.40 . 1 . . . A 250 ASN CA . 11523 1 733 . 1 1 63 63 ASN CB C 13 41.530 0.40 . 1 . . . A 250 ASN CB . 11523 1 734 . 1 1 63 63 ASN N N 15 117.262 0.40 . 1 . . . A 250 ASN N . 11523 1 735 . 1 1 64 64 ILE H H 1 8.820 0.04 . 1 . . . A 251 ILE H . 11523 1 736 . 1 1 64 64 ILE HA H 1 3.653 0.04 . 1 . . . A 251 ILE HA . 11523 1 737 . 1 1 64 64 ILE HB H 1 1.676 0.04 . 1 . . . A 251 ILE HB . 11523 1 738 . 1 1 64 64 ILE HG12 H 1 1.260 0.04 . 2 . . . A 251 ILE HG12 . 11523 1 739 . 1 1 64 64 ILE HG13 H 1 1.104 0.04 . 2 . . . A 251 ILE HG13 . 11523 1 740 . 1 1 64 64 ILE HG21 H 1 0.873 0.04 . 1 . . . A 251 ILE HG21 . 11523 1 741 . 1 1 64 64 ILE HG22 H 1 0.873 0.04 . 1 . . . A 251 ILE HG22 . 11523 1 742 . 1 1 64 64 ILE HG23 H 1 0.873 0.04 . 1 . . . A 251 ILE HG23 . 11523 1 743 . 1 1 64 64 ILE HD11 H 1 0.702 0.04 . 1 . . . A 251 ILE HD11 . 11523 1 744 . 1 1 64 64 ILE HD12 H 1 0.702 0.04 . 1 . . . A 251 ILE HD12 . 11523 1 745 . 1 1 64 64 ILE HD13 H 1 0.702 0.04 . 1 . . . A 251 ILE HD13 . 11523 1 746 . 1 1 64 64 ILE C C 13 175.281 0.40 . 1 . . . A 251 ILE C . 11523 1 747 . 1 1 64 64 ILE CA C 13 64.058 0.40 . 1 . . . A 251 ILE CA . 11523 1 748 . 1 1 64 64 ILE CB C 13 38.402 0.40 . 1 . . . A 251 ILE CB . 11523 1 749 . 1 1 64 64 ILE CG1 C 13 29.263 0.40 . 1 . . . A 251 ILE CG1 . 11523 1 750 . 1 1 64 64 ILE CG2 C 13 16.844 0.40 . 1 . . . A 251 ILE CG2 . 11523 1 751 . 1 1 64 64 ILE CD1 C 13 13.829 0.40 . 1 . . . A 251 ILE CD1 . 11523 1 752 . 1 1 64 64 ILE N N 15 126.868 0.40 . 1 . . . A 251 ILE N . 11523 1 753 . 1 1 65 65 ALA H H 1 8.319 0.04 . 1 . . . A 252 ALA H . 11523 1 754 . 1 1 65 65 ALA HA H 1 3.880 0.04 . 1 . . . A 252 ALA HA . 11523 1 755 . 1 1 65 65 ALA HB1 H 1 1.353 0.04 . 1 . . . A 252 ALA HB1 . 11523 1 756 . 1 1 65 65 ALA HB2 H 1 1.353 0.04 . 1 . . . A 252 ALA HB2 . 11523 1 757 . 1 1 65 65 ALA HB3 H 1 1.353 0.04 . 1 . . . A 252 ALA HB3 . 11523 1 758 . 1 1 65 65 ALA C C 13 179.971 0.40 . 1 . . . A 252 ALA C . 11523 1 759 . 1 1 65 65 ALA CA C 13 55.070 0.40 . 1 . . . A 252 ALA CA . 11523 1 760 . 1 1 65 65 ALA CB C 13 18.037 0.40 . 1 . . . A 252 ALA CB . 11523 1 761 . 1 1 65 65 ALA N N 15 123.811 0.40 . 1 . . . A 252 ALA N . 11523 1 762 . 1 1 66 66 ALA H H 1 6.961 0.04 . 1 . . . A 253 ALA H . 11523 1 763 . 1 1 66 66 ALA HA H 1 3.784 0.04 . 1 . . . A 253 ALA HA . 11523 1 764 . 1 1 66 66 ALA HB1 H 1 1.190 0.04 . 1 . . . A 253 ALA HB1 . 11523 1 765 . 1 1 66 66 ALA HB2 H 1 1.190 0.04 . 1 . . . A 253 ALA HB2 . 11523 1 766 . 1 1 66 66 ALA HB3 H 1 1.190 0.04 . 1 . . . A 253 ALA HB3 . 11523 1 767 . 1 1 66 66 ALA C C 13 176.828 0.40 . 1 . . . A 253 ALA C . 11523 1 768 . 1 1 66 66 ALA CA C 13 54.442 0.40 . 1 . . . A 253 ALA CA . 11523 1 769 . 1 1 66 66 ALA CB C 13 20.398 0.40 . 1 . . . A 253 ALA CB . 11523 1 770 . 1 1 66 66 ALA N N 15 121.305 0.40 . 1 . . . A 253 ALA N . 11523 1 771 . 1 1 67 67 ALA H H 1 6.267 0.04 . 1 . . . A 254 ALA H . 11523 1 772 . 1 1 67 67 ALA HA H 1 3.053 0.04 . 1 . . . A 254 ALA HA . 11523 1 773 . 1 1 67 67 ALA HB1 H 1 1.447 0.04 . 1 . . . A 254 ALA HB1 . 11523 1 774 . 1 1 67 67 ALA HB2 H 1 1.447 0.04 . 1 . . . A 254 ALA HB2 . 11523 1 775 . 1 1 67 67 ALA HB3 H 1 1.447 0.04 . 1 . . . A 254 ALA HB3 . 11523 1 776 . 1 1 67 67 ALA C C 13 178.284 0.40 . 1 . . . A 254 ALA C . 11523 1 777 . 1 1 67 67 ALA CA C 13 54.686 0.40 . 1 . . . A 254 ALA CA . 11523 1 778 . 1 1 67 67 ALA CB C 13 19.610 0.40 . 1 . . . A 254 ALA CB . 11523 1 779 . 1 1 67 67 ALA N N 15 120.932 0.40 . 1 . . . A 254 ALA N . 11523 1 780 . 1 1 68 68 ILE H H 1 7.770 0.04 . 1 . . . A 255 ILE H . 11523 1 781 . 1 1 68 68 ILE HA H 1 4.083 0.04 . 1 . . . A 255 ILE HA . 11523 1 782 . 1 1 68 68 ILE HB H 1 1.522 0.04 . 1 . . . A 255 ILE HB . 11523 1 783 . 1 1 68 68 ILE HG12 H 1 1.046 0.04 . 2 . . . A 255 ILE HG12 . 11523 1 784 . 1 1 68 68 ILE HG13 H 1 1.601 0.04 . 2 . . . A 255 ILE HG13 . 11523 1 785 . 1 1 68 68 ILE HG21 H 1 0.761 0.04 . 1 . . . A 255 ILE HG21 . 11523 1 786 . 1 1 68 68 ILE HG22 H 1 0.761 0.04 . 1 . . . A 255 ILE HG22 . 11523 1 787 . 1 1 68 68 ILE HG23 H 1 0.761 0.04 . 1 . . . A 255 ILE HG23 . 11523 1 788 . 1 1 68 68 ILE HD11 H 1 0.636 0.04 . 1 . . . A 255 ILE HD11 . 11523 1 789 . 1 1 68 68 ILE HD12 H 1 0.636 0.04 . 1 . . . A 255 ILE HD12 . 11523 1 790 . 1 1 68 68 ILE HD13 H 1 0.636 0.04 . 1 . . . A 255 ILE HD13 . 11523 1 791 . 1 1 68 68 ILE C C 13 178.224 0.40 . 1 . . . A 255 ILE C . 11523 1 792 . 1 1 68 68 ILE CA C 13 63.717 0.40 . 1 . . . A 255 ILE CA . 11523 1 793 . 1 1 68 68 ILE CB C 13 38.676 0.40 . 1 . . . A 255 ILE CB . 11523 1 794 . 1 1 68 68 ILE CG1 C 13 28.262 0.40 . 1 . . . A 255 ILE CG1 . 11523 1 795 . 1 1 68 68 ILE CG2 C 13 16.545 0.40 . 1 . . . A 255 ILE CG2 . 11523 1 796 . 1 1 68 68 ILE CD1 C 13 13.858 0.40 . 1 . . . A 255 ILE CD1 . 11523 1 797 . 1 1 68 68 ILE N N 15 117.320 0.40 . 1 . . . A 255 ILE N . 11523 1 798 . 1 1 69 69 LYS H H 1 7.228 0.04 . 1 . . . A 256 LYS H . 11523 1 799 . 1 1 69 69 LYS HA H 1 3.807 0.04 . 1 . . . A 256 LYS HA . 11523 1 800 . 1 1 69 69 LYS HB2 H 1 1.739 0.04 . 2 . . . A 256 LYS HB2 . 11523 1 801 . 1 1 69 69 LYS HB3 H 1 1.769 0.04 . 2 . . . A 256 LYS HB3 . 11523 1 802 . 1 1 69 69 LYS HG2 H 1 1.449 0.04 . 2 . . . A 256 LYS HG2 . 11523 1 803 . 1 1 69 69 LYS HG3 H 1 1.549 0.04 . 2 . . . A 256 LYS HG3 . 11523 1 804 . 1 1 69 69 LYS HD2 H 1 1.777 0.04 . 2 . . . A 256 LYS HD2 . 11523 1 805 . 1 1 69 69 LYS HD3 H 1 1.812 0.04 . 2 . . . A 256 LYS HD3 . 11523 1 806 . 1 1 69 69 LYS HE2 H 1 3.012 0.04 . 2 . . . A 256 LYS HE2 . 11523 1 807 . 1 1 69 69 LYS HE3 H 1 3.067 0.04 . 2 . . . A 256 LYS HE3 . 11523 1 808 . 1 1 69 69 LYS C C 13 177.374 0.40 . 1 . . . A 256 LYS C . 11523 1 809 . 1 1 69 69 LYS CA C 13 59.468 0.40 . 1 . . . A 256 LYS CA . 11523 1 810 . 1 1 69 69 LYS CB C 13 32.715 0.40 . 1 . . . A 256 LYS CB . 11523 1 811 . 1 1 69 69 LYS CG C 13 25.253 0.40 . 1 . . . A 256 LYS CG . 11523 1 812 . 1 1 69 69 LYS CD C 13 29.522 0.40 . 1 . . . A 256 LYS CD . 11523 1 813 . 1 1 69 69 LYS CE C 13 41.817 0.40 . 1 . . . A 256 LYS CE . 11523 1 814 . 1 1 69 69 LYS N N 15 120.639 0.40 . 1 . . . A 256 LYS N . 11523 1 815 . 1 1 70 70 ALA H H 1 7.710 0.04 . 1 . . . A 257 ALA H . 11523 1 816 . 1 1 70 70 ALA HA H 1 2.141 0.04 . 1 . . . A 257 ALA HA . 11523 1 817 . 1 1 70 70 ALA HB1 H 1 0.779 0.04 . 1 . . . A 257 ALA HB1 . 11523 1 818 . 1 1 70 70 ALA HB2 H 1 0.779 0.04 . 1 . . . A 257 ALA HB2 . 11523 1 819 . 1 1 70 70 ALA HB3 H 1 0.779 0.04 . 1 . . . A 257 ALA HB3 . 11523 1 820 . 1 1 70 70 ALA C C 13 179.004 0.40 . 1 . . . A 257 ALA C . 11523 1 821 . 1 1 70 70 ALA CA C 13 54.559 0.40 . 1 . . . A 257 ALA CA . 11523 1 822 . 1 1 70 70 ALA CB C 13 18.293 0.40 . 1 . . . A 257 ALA CB . 11523 1 823 . 1 1 70 70 ALA N N 15 122.475 0.40 . 1 . . . A 257 ALA N . 11523 1 824 . 1 1 71 71 VAL H H 1 7.779 0.04 . 1 . . . A 258 VAL H . 11523 1 825 . 1 1 71 71 VAL HA H 1 3.118 0.04 . 1 . . . A 258 VAL HA . 11523 1 826 . 1 1 71 71 VAL HB H 1 1.864 0.04 . 1 . . . A 258 VAL HB . 11523 1 827 . 1 1 71 71 VAL HG11 H 1 0.510 0.04 . 1 . . . A 258 VAL HG11 . 11523 1 828 . 1 1 71 71 VAL HG12 H 1 0.510 0.04 . 1 . . . A 258 VAL HG12 . 11523 1 829 . 1 1 71 71 VAL HG13 H 1 0.510 0.04 . 1 . . . A 258 VAL HG13 . 11523 1 830 . 1 1 71 71 VAL HG21 H 1 0.398 0.04 . 1 . . . A 258 VAL HG21 . 11523 1 831 . 1 1 71 71 VAL HG22 H 1 0.398 0.04 . 1 . . . A 258 VAL HG22 . 11523 1 832 . 1 1 71 71 VAL HG23 H 1 0.398 0.04 . 1 . . . A 258 VAL HG23 . 11523 1 833 . 1 1 71 71 VAL C C 13 177.221 0.40 . 1 . . . A 258 VAL C . 11523 1 834 . 1 1 71 71 VAL CA C 13 66.195 0.40 . 1 . . . A 258 VAL CA . 11523 1 835 . 1 1 71 71 VAL CB C 13 31.013 0.40 . 1 . . . A 258 VAL CB . 11523 1 836 . 1 1 71 71 VAL CG1 C 13 21.075 0.40 . 1 . . . A 258 VAL CG1 . 11523 1 837 . 1 1 71 71 VAL CG2 C 13 24.121 0.40 . 1 . . . A 258 VAL CG2 . 11523 1 838 . 1 1 71 71 VAL N N 15 118.211 0.40 . 1 . . . A 258 VAL N . 11523 1 839 . 1 1 72 72 GLN H H 1 7.709 0.04 . 1 . . . A 259 GLN H . 11523 1 840 . 1 1 72 72 GLN HA H 1 4.016 0.04 . 1 . . . A 259 GLN HA . 11523 1 841 . 1 1 72 72 GLN HB2 H 1 2.160 0.04 . 1 . . . A 259 GLN HB2 . 11523 1 842 . 1 1 72 72 GLN HB3 H 1 1.987 0.04 . 1 . . . A 259 GLN HB3 . 11523 1 843 . 1 1 72 72 GLN HG2 H 1 2.324 0.04 . 2 . . . A 259 GLN HG2 . 11523 1 844 . 1 1 72 72 GLN HG3 H 1 2.601 0.04 . 2 . . . A 259 GLN HG3 . 11523 1 845 . 1 1 72 72 GLN C C 13 178.642 0.40 . 1 . . . A 259 GLN C . 11523 1 846 . 1 1 72 72 GLN CA C 13 58.253 0.40 . 1 . . . A 259 GLN CA . 11523 1 847 . 1 1 72 72 GLN CB C 13 29.148 0.40 . 1 . . . A 259 GLN CB . 11523 1 848 . 1 1 72 72 GLN CG C 13 34.377 0.40 . 1 . . . A 259 GLN CG . 11523 1 849 . 1 1 72 72 GLN N N 15 116.406 0.40 . 1 . . . A 259 GLN N . 11523 1 850 . 1 1 73 73 GLU H H 1 8.486 0.04 . 1 . . . A 260 GLU H . 11523 1 851 . 1 1 73 73 GLU HA H 1 4.421 0.04 . 1 . . . A 260 GLU HA . 11523 1 852 . 1 1 73 73 GLU HB2 H 1 2.040 0.04 . 2 . . . A 260 GLU HB2 . 11523 1 853 . 1 1 73 73 GLU HB3 H 1 2.160 0.04 . 2 . . . A 260 GLU HB3 . 11523 1 854 . 1 1 73 73 GLU HG2 H 1 2.500 0.04 . 2 . . . A 260 GLU HG2 . 11523 1 855 . 1 1 73 73 GLU HG3 H 1 2.171 0.04 . 2 . . . A 260 GLU HG3 . 11523 1 856 . 1 1 73 73 GLU C C 13 179.231 0.40 . 1 . . . A 260 GLU C . 11523 1 857 . 1 1 73 73 GLU CA C 13 57.875 0.40 . 1 . . . A 260 GLU CA . 11523 1 858 . 1 1 73 73 GLU CB C 13 30.977 0.40 . 1 . . . A 260 GLU CB . 11523 1 859 . 1 1 73 73 GLU CG C 13 36.728 0.40 . 1 . . . A 260 GLU CG . 11523 1 860 . 1 1 73 73 GLU N N 15 117.360 0.40 . 1 . . . A 260 GLU N . 11523 1 861 . 1 1 74 74 LEU H H 1 8.890 0.04 . 1 . . . A 261 LEU H . 11523 1 862 . 1 1 74 74 LEU HA H 1 4.251 0.04 . 1 . . . A 261 LEU HA . 11523 1 863 . 1 1 74 74 LEU HB2 H 1 1.427 0.04 . 2 . . . A 261 LEU HB2 . 11523 1 864 . 1 1 74 74 LEU HB3 H 1 1.241 0.04 . 2 . . . A 261 LEU HB3 . 11523 1 865 . 1 1 74 74 LEU HG H 1 1.154 0.04 . 1 . . . A 261 LEU HG . 11523 1 866 . 1 1 74 74 LEU HD11 H 1 0.199 0.04 . 1 . . . A 261 LEU HD11 . 11523 1 867 . 1 1 74 74 LEU HD12 H 1 0.199 0.04 . 1 . . . A 261 LEU HD12 . 11523 1 868 . 1 1 74 74 LEU HD13 H 1 0.199 0.04 . 1 . . . A 261 LEU HD13 . 11523 1 869 . 1 1 74 74 LEU HD21 H 1 -0.100 0.04 . 1 . . . A 261 LEU HD21 . 11523 1 870 . 1 1 74 74 LEU HD22 H 1 -0.100 0.04 . 1 . . . A 261 LEU HD22 . 11523 1 871 . 1 1 74 74 LEU HD23 H 1 -0.100 0.04 . 1 . . . A 261 LEU HD23 . 11523 1 872 . 1 1 74 74 LEU C C 13 175.322 0.40 . 1 . . . A 261 LEU C . 11523 1 873 . 1 1 74 74 LEU CA C 13 59.708 0.40 . 1 . . . A 261 LEU CA . 11523 1 874 . 1 1 74 74 LEU CB C 13 39.910 0.40 . 1 . . . A 261 LEU CB . 11523 1 875 . 1 1 74 74 LEU CG C 13 26.639 0.40 . 1 . . . A 261 LEU CG . 11523 1 876 . 1 1 74 74 LEU CD1 C 13 23.330 0.40 . 1 . . . A 261 LEU CD1 . 11523 1 877 . 1 1 74 74 LEU CD2 C 13 24.178 0.40 . 1 . . . A 261 LEU CD2 . 11523 1 878 . 1 1 74 74 LEU N N 15 127.428 0.40 . 1 . . . A 261 LEU N . 11523 1 879 . 1 1 75 75 PRO HA H 1 4.199 0.04 . 1 . . . A 262 PRO HA . 11523 1 880 . 1 1 75 75 PRO HB2 H 1 2.525 0.04 . 2 . . . A 262 PRO HB2 . 11523 1 881 . 1 1 75 75 PRO HB3 H 1 1.587 0.04 . 2 . . . A 262 PRO HB3 . 11523 1 882 . 1 1 75 75 PRO HG2 H 1 2.096 0.04 . 2 . . . A 262 PRO HG2 . 11523 1 883 . 1 1 75 75 PRO HG3 H 1 1.851 0.04 . 2 . . . A 262 PRO HG3 . 11523 1 884 . 1 1 75 75 PRO HD2 H 1 3.478 0.04 . 2 . . . A 262 PRO HD2 . 11523 1 885 . 1 1 75 75 PRO HD3 H 1 3.020 0.04 . 2 . . . A 262 PRO HD3 . 11523 1 886 . 1 1 75 75 PRO C C 13 176.583 0.40 . 1 . . . A 262 PRO C . 11523 1 887 . 1 1 75 75 PRO CA C 13 65.510 0.40 . 1 . . . A 262 PRO CA . 11523 1 888 . 1 1 75 75 PRO CB C 13 31.351 0.40 . 1 . . . A 262 PRO CB . 11523 1 889 . 1 1 75 75 PRO CG C 13 28.510 0.40 . 1 . . . A 262 PRO CG . 11523 1 890 . 1 1 75 75 PRO CD C 13 51.890 0.40 . 1 . . . A 262 PRO CD . 11523 1 891 . 1 1 76 76 LEU H H 1 7.320 0.04 . 1 . . . A 263 LEU H . 11523 1 892 . 1 1 76 76 LEU HA H 1 4.213 0.04 . 1 . . . A 263 LEU HA . 11523 1 893 . 1 1 76 76 LEU HB2 H 1 1.907 0.04 . 1 . . . A 263 LEU HB2 . 11523 1 894 . 1 1 76 76 LEU HB3 H 1 1.697 0.04 . 1 . . . A 263 LEU HB3 . 11523 1 895 . 1 1 76 76 LEU HG H 1 1.675 0.04 . 1 . . . A 263 LEU HG . 11523 1 896 . 1 1 76 76 LEU HD11 H 1 0.987 0.04 . 1 . . . A 263 LEU HD11 . 11523 1 897 . 1 1 76 76 LEU HD12 H 1 0.987 0.04 . 1 . . . A 263 LEU HD12 . 11523 1 898 . 1 1 76 76 LEU HD13 H 1 0.987 0.04 . 1 . . . A 263 LEU HD13 . 11523 1 899 . 1 1 76 76 LEU HD21 H 1 0.865 0.04 . 1 . . . A 263 LEU HD21 . 11523 1 900 . 1 1 76 76 LEU HD22 H 1 0.865 0.04 . 1 . . . A 263 LEU HD22 . 11523 1 901 . 1 1 76 76 LEU HD23 H 1 0.865 0.04 . 1 . . . A 263 LEU HD23 . 11523 1 902 . 1 1 76 76 LEU C C 13 178.006 0.40 . 1 . . . A 263 LEU C . 11523 1 903 . 1 1 76 76 LEU CA C 13 54.773 0.40 . 1 . . . A 263 LEU CA . 11523 1 904 . 1 1 76 76 LEU CB C 13 41.182 0.40 . 1 . . . A 263 LEU CB . 11523 1 905 . 1 1 76 76 LEU CG C 13 27.326 0.40 . 1 . . . A 263 LEU CG . 11523 1 906 . 1 1 76 76 LEU CD1 C 13 25.100 0.40 . 1 . . . A 263 LEU CD1 . 11523 1 907 . 1 1 76 76 LEU CD2 C 13 22.250 0.40 . 1 . . . A 263 LEU CD2 . 11523 1 908 . 1 1 76 76 LEU N N 15 115.917 0.40 . 1 . . . A 263 LEU N . 11523 1 909 . 1 1 77 77 ASN H H 1 8.290 0.04 . 1 . . . A 264 ASN H . 11523 1 910 . 1 1 77 77 ASN HA H 1 4.994 0.04 . 1 . . . A 264 ASN HA . 11523 1 911 . 1 1 77 77 ASN HB2 H 1 3.517 0.04 . 1 . . . A 264 ASN HB2 . 11523 1 912 . 1 1 77 77 ASN HB3 H 1 2.982 0.04 . 1 . . . A 264 ASN HB3 . 11523 1 913 . 1 1 77 77 ASN C C 13 175.427 0.40 . 1 . . . A 264 ASN C . 11523 1 914 . 1 1 77 77 ASN CA C 13 50.743 0.40 . 1 . . . A 264 ASN CA . 11523 1 915 . 1 1 77 77 ASN CB C 13 39.639 0.40 . 1 . . . A 264 ASN CB . 11523 1 916 . 1 1 77 77 ASN N N 15 125.063 0.40 . 1 . . . A 264 ASN N . 11523 1 917 . 1 1 78 78 PRO HA H 1 4.402 0.04 . 1 . . . A 265 PRO HA . 11523 1 918 . 1 1 78 78 PRO HB2 H 1 2.443 0.04 . 2 . . . A 265 PRO HB2 . 11523 1 919 . 1 1 78 78 PRO HB3 H 1 2.008 0.04 . 2 . . . A 265 PRO HB3 . 11523 1 920 . 1 1 78 78 PRO HG2 H 1 2.107 0.04 . 2 . . . A 265 PRO HG2 . 11523 1 921 . 1 1 78 78 PRO HG3 H 1 2.197 0.04 . 2 . . . A 265 PRO HG3 . 11523 1 922 . 1 1 78 78 PRO HD2 H 1 3.872 0.04 . 2 . . . A 265 PRO HD2 . 11523 1 923 . 1 1 78 78 PRO HD3 H 1 4.141 0.04 . 2 . . . A 265 PRO HD3 . 11523 1 924 . 1 1 78 78 PRO C C 13 178.698 0.40 . 1 . . . A 265 PRO C . 11523 1 925 . 1 1 78 78 PRO CA C 13 65.229 0.40 . 1 . . . A 265 PRO CA . 11523 1 926 . 1 1 78 78 PRO CB C 13 32.265 0.40 . 1 . . . A 265 PRO CB . 11523 1 927 . 1 1 78 78 PRO CG C 13 26.817 0.40 . 1 . . . A 265 PRO CG . 11523 1 928 . 1 1 78 78 PRO CD C 13 51.031 0.40 . 1 . . . A 265 PRO CD . 11523 1 929 . 1 1 79 79 LYS H H 1 8.226 0.04 . 1 . . . A 266 LYS H . 11523 1 930 . 1 1 79 79 LYS HA H 1 4.017 0.04 . 1 . . . A 266 LYS HA . 11523 1 931 . 1 1 79 79 LYS HB2 H 1 1.609 0.04 . 1 . . . A 266 LYS HB2 . 11523 1 932 . 1 1 79 79 LYS HB3 H 1 1.776 0.04 . 1 . . . A 266 LYS HB3 . 11523 1 933 . 1 1 79 79 LYS HG2 H 1 1.412 0.04 . 2 . . . A 266 LYS HG2 . 11523 1 934 . 1 1 79 79 LYS HG3 H 1 1.047 0.04 . 2 . . . A 266 LYS HG3 . 11523 1 935 . 1 1 79 79 LYS HD2 H 1 1.710 0.04 . 2 . . . A 266 LYS HD2 . 11523 1 936 . 1 1 79 79 LYS HD3 H 1 1.671 0.04 . 2 . . . A 266 LYS HD3 . 11523 1 937 . 1 1 79 79 LYS HE2 H 1 2.964 0.04 . 2 . . . A 266 LYS HE2 . 11523 1 938 . 1 1 79 79 LYS HE3 H 1 2.902 0.04 . 2 . . . A 266 LYS HE3 . 11523 1 939 . 1 1 79 79 LYS C C 13 177.876 0.40 . 1 . . . A 266 LYS C . 11523 1 940 . 1 1 79 79 LYS CA C 13 58.560 0.40 . 1 . . . A 266 LYS CA . 11523 1 941 . 1 1 79 79 LYS CB C 13 32.873 0.40 . 1 . . . A 266 LYS CB . 11523 1 942 . 1 1 79 79 LYS CG C 13 24.969 0.40 . 1 . . . A 266 LYS CG . 11523 1 943 . 1 1 79 79 LYS CD C 13 29.438 0.40 . 1 . . . A 266 LYS CD . 11523 1 944 . 1 1 79 79 LYS CE C 13 41.820 0.40 . 1 . . . A 266 LYS CE . 11523 1 945 . 1 1 79 79 LYS N N 15 118.810 0.40 . 1 . . . A 266 LYS N . 11523 1 946 . 1 1 80 80 TRP H H 1 8.275 0.04 . 1 . . . A 267 TRP H . 11523 1 947 . 1 1 80 80 TRP HA H 1 3.993 0.04 . 1 . . . A 267 TRP HA . 11523 1 948 . 1 1 80 80 TRP HB2 H 1 3.221 0.04 . 1 . . . A 267 TRP HB2 . 11523 1 949 . 1 1 80 80 TRP HB3 H 1 3.459 0.04 . 1 . . . A 267 TRP HB3 . 11523 1 950 . 1 1 80 80 TRP HD1 H 1 6.881 0.04 . 1 . . . A 267 TRP HD1 . 11523 1 951 . 1 1 80 80 TRP HE1 H 1 11.401 0.04 . 1 . . . A 267 TRP HE1 . 11523 1 952 . 1 1 80 80 TRP C C 13 177.042 0.40 . 1 . . . A 267 TRP C . 11523 1 953 . 1 1 80 80 TRP CA C 13 58.185 0.40 . 1 . . . A 267 TRP CA . 11523 1 954 . 1 1 80 80 TRP CB C 13 29.693 0.40 . 1 . . . A 267 TRP CB . 11523 1 955 . 1 1 80 80 TRP CD1 C 13 126.783 0.40 . 1 . . . A 267 TRP CD1 . 11523 1 956 . 1 1 80 80 TRP N N 15 119.357 0.40 . 1 . . . A 267 TRP N . 11523 1 957 . 1 1 80 80 TRP NE1 N 15 134.197 0.40 . 1 . . . A 267 TRP NE1 . 11523 1 958 . 1 1 81 81 SER H H 1 7.566 0.04 . 1 . . . A 268 SER H . 11523 1 959 . 1 1 81 81 SER HA H 1 4.340 0.04 . 1 . . . A 268 SER HA . 11523 1 960 . 1 1 81 81 SER HB2 H 1 3.968 0.04 . 2 . . . A 268 SER HB2 . 11523 1 961 . 1 1 81 81 SER HB3 H 1 4.016 0.04 . 2 . . . A 268 SER HB3 . 11523 1 962 . 1 1 81 81 SER C C 13 175.649 0.40 . 1 . . . A 268 SER C . 11523 1 963 . 1 1 81 81 SER CA C 13 61.678 0.40 . 1 . . . A 268 SER CA . 11523 1 964 . 1 1 81 81 SER CB C 13 63.503 0.40 . 1 . . . A 268 SER CB . 11523 1 965 . 1 1 81 81 SER N N 15 118.043 0.40 . 1 . . . A 268 SER N . 11523 1 966 . 1 1 82 82 LYS H H 1 8.319 0.04 . 1 . . . A 269 LYS H . 11523 1 967 . 1 1 82 82 LYS HA H 1 4.576 0.04 . 1 . . . A 269 LYS HA . 11523 1 968 . 1 1 82 82 LYS HB2 H 1 1.638 0.04 . 1 . . . A 269 LYS HB2 . 11523 1 969 . 1 1 82 82 LYS HB3 H 1 2.070 0.04 . 1 . . . A 269 LYS HB3 . 11523 1 970 . 1 1 82 82 LYS HG2 H 1 1.371 0.04 . 2 . . . A 269 LYS HG2 . 11523 1 971 . 1 1 82 82 LYS HG3 H 1 1.451 0.04 . 2 . . . A 269 LYS HG3 . 11523 1 972 . 1 1 82 82 LYS HD2 H 1 1.606 0.04 . 2 . . . A 269 LYS HD2 . 11523 1 973 . 1 1 82 82 LYS HD3 H 1 1.670 0.04 . 2 . . . A 269 LYS HD3 . 11523 1 974 . 1 1 82 82 LYS HE2 H 1 3.003 0.04 . 2 . . . A 269 LYS HE2 . 11523 1 975 . 1 1 82 82 LYS HE3 H 1 2.942 0.04 . 2 . . . A 269 LYS HE3 . 11523 1 976 . 1 1 82 82 LYS C C 13 176.805 0.40 . 1 . . . A 269 LYS C . 11523 1 977 . 1 1 82 82 LYS CA C 13 55.678 0.40 . 1 . . . A 269 LYS CA . 11523 1 978 . 1 1 82 82 LYS CB C 13 31.657 0.40 . 1 . . . A 269 LYS CB . 11523 1 979 . 1 1 82 82 LYS CG C 13 24.815 0.40 . 1 . . . A 269 LYS CG . 11523 1 980 . 1 1 82 82 LYS CD C 13 28.538 0.40 . 1 . . . A 269 LYS CD . 11523 1 981 . 1 1 82 82 LYS CE C 13 42.173 0.40 . 1 . . . A 269 LYS CE . 11523 1 982 . 1 1 82 82 LYS N N 15 120.133 0.40 . 1 . . . A 269 LYS N . 11523 1 983 . 1 1 83 83 ARG H H 1 7.638 0.04 . 1 . . . A 270 ARG H . 11523 1 984 . 1 1 83 83 ARG HA H 1 4.569 0.04 . 1 . . . A 270 ARG HA . 11523 1 985 . 1 1 83 83 ARG HB2 H 1 1.940 0.04 . 1 . . . A 270 ARG HB2 . 11523 1 986 . 1 1 83 83 ARG HB3 H 1 2.230 0.04 . 1 . . . A 270 ARG HB3 . 11523 1 987 . 1 1 83 83 ARG HG2 H 1 1.621 0.04 . 2 . . . A 270 ARG HG2 . 11523 1 988 . 1 1 83 83 ARG HG3 H 1 1.541 0.04 . 2 . . . A 270 ARG HG3 . 11523 1 989 . 1 1 83 83 ARG HD2 H 1 2.321 0.04 . 2 . . . A 270 ARG HD2 . 11523 1 990 . 1 1 83 83 ARG HD3 H 1 2.152 0.04 . 2 . . . A 270 ARG HD3 . 11523 1 991 . 1 1 83 83 ARG C C 13 174.209 0.40 . 1 . . . A 270 ARG C . 11523 1 992 . 1 1 83 83 ARG CA C 13 55.472 0.40 . 1 . . . A 270 ARG CA . 11523 1 993 . 1 1 83 83 ARG CB C 13 31.129 0.40 . 1 . . . A 270 ARG CB . 11523 1 994 . 1 1 83 83 ARG CG C 13 27.259 0.40 . 1 . . . A 270 ARG CG . 11523 1 995 . 1 1 83 83 ARG CD C 13 44.337 0.40 . 1 . . . A 270 ARG CD . 11523 1 996 . 1 1 83 83 ARG N N 15 122.114 0.40 . 1 . . . A 270 ARG N . 11523 1 997 . 1 1 84 84 ARG H H 1 7.782 0.04 . 1 . . . A 271 ARG H . 11523 1 998 . 1 1 84 84 ARG HA H 1 4.707 0.04 . 1 . . . A 271 ARG HA . 11523 1 999 . 1 1 84 84 ARG HB2 H 1 1.563 0.04 . 1 . . . A 271 ARG HB2 . 11523 1 1000 . 1 1 84 84 ARG HB3 H 1 1.771 0.04 . 1 . . . A 271 ARG HB3 . 11523 1 1001 . 1 1 84 84 ARG HG2 H 1 1.636 0.04 . 2 . . . A 271 ARG HG2 . 11523 1 1002 . 1 1 84 84 ARG HG3 H 1 1.684 0.04 . 2 . . . A 271 ARG HG3 . 11523 1 1003 . 1 1 84 84 ARG HD2 H 1 3.253 0.04 . 2 . . . A 271 ARG HD2 . 11523 1 1004 . 1 1 84 84 ARG HD3 H 1 3.289 0.04 . 2 . . . A 271 ARG HD3 . 11523 1 1005 . 1 1 84 84 ARG C C 13 174.661 0.40 . 1 . . . A 271 ARG C . 11523 1 1006 . 1 1 84 84 ARG CA C 13 55.000 0.40 . 1 . . . A 271 ARG CA . 11523 1 1007 . 1 1 84 84 ARG CB C 13 32.482 0.40 . 1 . . . A 271 ARG CB . 11523 1 1008 . 1 1 84 84 ARG CG C 13 26.745 0.40 . 1 . . . A 271 ARG CG . 11523 1 1009 . 1 1 84 84 ARG CD C 13 43.182 0.40 . 1 . . . A 271 ARG CD . 11523 1 1010 . 1 1 84 84 ARG N N 15 121.226 0.40 . 1 . . . A 271 ARG N . 11523 1 1011 . 1 1 85 85 ILE H H 1 8.306 0.04 . 1 . . . A 272 ILE H . 11523 1 1012 . 1 1 85 85 ILE HA H 1 5.162 0.04 . 1 . . . A 272 ILE HA . 11523 1 1013 . 1 1 85 85 ILE HB H 1 1.709 0.04 . 1 . . . A 272 ILE HB . 11523 1 1014 . 1 1 85 85 ILE HG12 H 1 0.929 0.04 . 2 . . . A 272 ILE HG12 . 11523 1 1015 . 1 1 85 85 ILE HG13 H 1 1.553 0.04 . 2 . . . A 272 ILE HG13 . 11523 1 1016 . 1 1 85 85 ILE HG21 H 1 0.709 0.04 . 1 . . . A 272 ILE HG21 . 11523 1 1017 . 1 1 85 85 ILE HG22 H 1 0.709 0.04 . 1 . . . A 272 ILE HG22 . 11523 1 1018 . 1 1 85 85 ILE HG23 H 1 0.709 0.04 . 1 . . . A 272 ILE HG23 . 11523 1 1019 . 1 1 85 85 ILE HD11 H 1 0.777 0.04 . 1 . . . A 272 ILE HD11 . 11523 1 1020 . 1 1 85 85 ILE HD12 H 1 0.777 0.04 . 1 . . . A 272 ILE HD12 . 11523 1 1021 . 1 1 85 85 ILE HD13 H 1 0.777 0.04 . 1 . . . A 272 ILE HD13 . 11523 1 1022 . 1 1 85 85 ILE C C 13 174.194 0.40 . 1 . . . A 272 ILE C . 11523 1 1023 . 1 1 85 85 ILE CA C 13 60.136 0.40 . 1 . . . A 272 ILE CA . 11523 1 1024 . 1 1 85 85 ILE CB C 13 40.954 0.40 . 1 . . . A 272 ILE CB . 11523 1 1025 . 1 1 85 85 ILE CG1 C 13 27.555 0.40 . 1 . . . A 272 ILE CG1 . 11523 1 1026 . 1 1 85 85 ILE CG2 C 13 18.009 0.40 . 1 . . . A 272 ILE CG2 . 11523 1 1027 . 1 1 85 85 ILE CD1 C 13 15.736 0.40 . 1 . . . A 272 ILE CD1 . 11523 1 1028 . 1 1 85 85 ILE N N 15 125.336 0.40 . 1 . . . A 272 ILE N . 11523 1 1029 . 1 1 86 86 TYR H H 1 8.773 0.04 . 1 . . . A 273 TYR H . 11523 1 1030 . 1 1 86 86 TYR HA H 1 4.760 0.04 . 1 . . . A 273 TYR HA . 11523 1 1031 . 1 1 86 86 TYR HB2 H 1 2.951 0.04 . 1 . . . A 273 TYR HB2 . 11523 1 1032 . 1 1 86 86 TYR HB3 H 1 3.256 0.04 . 1 . . . A 273 TYR HB3 . 11523 1 1033 . 1 1 86 86 TYR HD1 H 1 7.066 0.04 . 3 . . . A 273 TYR HD1 . 11523 1 1034 . 1 1 86 86 TYR HE1 H 1 6.621 0.04 . 3 . . . A 273 TYR HE1 . 11523 1 1035 . 1 1 86 86 TYR C C 13 174.047 0.40 . 1 . . . A 273 TYR C . 11523 1 1036 . 1 1 86 86 TYR CA C 13 55.909 0.40 . 1 . . . A 273 TYR CA . 11523 1 1037 . 1 1 86 86 TYR CB C 13 40.661 0.40 . 1 . . . A 273 TYR CB . 11523 1 1038 . 1 1 86 86 TYR CD1 C 13 134.013 0.40 . 3 . . . A 273 TYR CD1 . 11523 1 1039 . 1 1 86 86 TYR CE1 C 13 117.750 0.40 . 3 . . . A 273 TYR CE1 . 11523 1 1040 . 1 1 86 86 TYR N N 15 124.935 0.40 . 1 . . . A 273 TYR N . 11523 1 1041 . 1 1 87 87 TYR H H 1 8.004 0.04 . 1 . . . A 274 TYR H . 11523 1 1042 . 1 1 87 87 TYR HA H 1 4.903 0.04 . 1 . . . A 274 TYR HA . 11523 1 1043 . 1 1 87 87 TYR HB2 H 1 2.831 0.04 . 1 . . . A 274 TYR HB2 . 11523 1 1044 . 1 1 87 87 TYR HB3 H 1 3.319 0.04 . 1 . . . A 274 TYR HB3 . 11523 1 1045 . 1 1 87 87 TYR HD1 H 1 7.191 0.04 . 3 . . . A 274 TYR HD1 . 11523 1 1046 . 1 1 87 87 TYR HE1 H 1 6.679 0.04 . 3 . . . A 274 TYR HE1 . 11523 1 1047 . 1 1 87 87 TYR C C 13 177.147 0.40 . 1 . . . A 274 TYR C . 11523 1 1048 . 1 1 87 87 TYR CA C 13 58.738 0.40 . 1 . . . A 274 TYR CA . 11523 1 1049 . 1 1 87 87 TYR CB C 13 39.504 0.40 . 1 . . . A 274 TYR CB . 11523 1 1050 . 1 1 87 87 TYR CD1 C 13 133.290 0.40 . 3 . . . A 274 TYR CD1 . 11523 1 1051 . 1 1 87 87 TYR CE1 C 13 118.440 0.40 . 3 . . . A 274 TYR CE1 . 11523 1 1052 . 1 1 87 87 TYR N N 15 121.064 0.40 . 1 . . . A 274 TYR N . 11523 1 1053 . 1 1 88 88 GLY H H 1 8.733 0.04 . 1 . . . A 275 GLY H . 11523 1 1054 . 1 1 88 88 GLY HA2 H 1 4.171 0.04 . 2 . . . A 275 GLY HA2 . 11523 1 1055 . 1 1 88 88 GLY HA3 H 1 3.691 0.04 . 2 . . . A 275 GLY HA3 . 11523 1 1056 . 1 1 88 88 GLY C C 13 172.484 0.40 . 1 . . . A 275 GLY C . 11523 1 1057 . 1 1 88 88 GLY CA C 13 45.823 0.40 . 1 . . . A 275 GLY CA . 11523 1 1058 . 1 1 88 88 GLY N N 15 112.038 0.40 . 1 . . . A 275 GLY N . 11523 1 1059 . 1 1 89 89 ARG H H 1 7.962 0.04 . 1 . . . A 276 ARG H . 11523 1 1060 . 1 1 89 89 ARG HA H 1 4.429 0.04 . 1 . . . A 276 ARG HA . 11523 1 1061 . 1 1 89 89 ARG HB2 H 1 1.706 0.04 . 2 . . . A 276 ARG HB2 . 11523 1 1062 . 1 1 89 89 ARG HB3 H 1 1.828 0.04 . 2 . . . A 276 ARG HB3 . 11523 1 1063 . 1 1 89 89 ARG HG2 H 1 1.575 0.04 . 2 . . . A 276 ARG HG2 . 11523 1 1064 . 1 1 89 89 ARG HG3 H 1 1.562 0.04 . 2 . . . A 276 ARG HG3 . 11523 1 1065 . 1 1 89 89 ARG HD2 H 1 3.110 0.04 . 2 . . . A 276 ARG HD2 . 11523 1 1066 . 1 1 89 89 ARG HD3 H 1 3.150 0.04 . 2 . . . A 276 ARG HD3 . 11523 1 1067 . 1 1 89 89 ARG C C 13 175.447 0.40 . 1 . . . A 276 ARG C . 11523 1 1068 . 1 1 89 89 ARG CA C 13 55.745 0.40 . 1 . . . A 276 ARG CA . 11523 1 1069 . 1 1 89 89 ARG CB C 13 31.729 0.40 . 1 . . . A 276 ARG CB . 11523 1 1070 . 1 1 89 89 ARG CG C 13 27.272 0.40 . 1 . . . A 276 ARG CG . 11523 1 1071 . 1 1 89 89 ARG CD C 13 43.297 0.40 . 1 . . . A 276 ARG CD . 11523 1 1072 . 1 1 89 89 ARG N N 15 120.737 0.40 . 1 . . . A 276 ARG N . 11523 1 1073 . 1 1 90 90 ASP H H 1 8.213 0.04 . 1 . . . A 277 ASP H . 11523 1 1074 . 1 1 90 90 ASP HA H 1 4.380 0.04 . 1 . . . A 277 ASP HA . 11523 1 1075 . 1 1 90 90 ASP HB2 H 1 2.558 0.04 . 1 . . . A 277 ASP HB2 . 11523 1 1076 . 1 1 90 90 ASP HB3 H 1 2.386 0.04 . 1 . . . A 277 ASP HB3 . 11523 1 1077 . 1 1 90 90 ASP C C 13 176.320 0.40 . 1 . . . A 277 ASP C . 11523 1 1078 . 1 1 90 90 ASP CA C 13 54.335 0.40 . 1 . . . A 277 ASP CA . 11523 1 1079 . 1 1 90 90 ASP CB C 13 41.298 0.40 . 1 . . . A 277 ASP CB . 11523 1 1080 . 1 1 90 90 ASP N N 15 122.491 0.40 . 1 . . . A 277 ASP N . 11523 1 1081 . 1 1 91 91 ARG H H 1 8.191 0.04 . 1 . . . A 278 ARG H . 11523 1 1082 . 1 1 91 91 ARG HA H 1 4.125 0.04 . 1 . . . A 278 ARG HA . 11523 1 1083 . 1 1 91 91 ARG HB2 H 1 1.762 0.04 . 2 . . . A 278 ARG HB2 . 11523 1 1084 . 1 1 91 91 ARG HB3 H 1 1.639 0.04 . 2 . . . A 278 ARG HB3 . 11523 1 1085 . 1 1 91 91 ARG HG2 H 1 1.490 0.04 . 2 . . . A 278 ARG HG2 . 11523 1 1086 . 1 1 91 91 ARG HG3 H 1 1.497 0.04 . 2 . . . A 278 ARG HG3 . 11523 1 1087 . 1 1 91 91 ARG HD2 H 1 3.064 0.04 . 2 . . . A 278 ARG HD2 . 11523 1 1088 . 1 1 91 91 ARG HD3 H 1 3.025 0.04 . 2 . . . A 278 ARG HD3 . 11523 1 1089 . 1 1 91 91 ARG C C 13 176.276 0.40 . 1 . . . A 278 ARG C . 11523 1 1090 . 1 1 91 91 ARG CA C 13 56.582 0.40 . 1 . . . A 278 ARG CA . 11523 1 1091 . 1 1 91 91 ARG CB C 13 30.213 0.40 . 1 . . . A 278 ARG CB . 11523 1 1092 . 1 1 91 91 ARG CG C 13 27.487 0.40 . 1 . . . A 278 ARG CG . 11523 1 1093 . 1 1 91 91 ARG CD C 13 43.105 0.40 . 1 . . . A 278 ARG CD . 11523 1 1094 . 1 1 91 91 ARG N N 15 123.470 0.40 . 1 . . . A 278 ARG N . 11523 1 1095 . 1 1 92 92 CYS H H 1 8.249 0.04 . 1 . . . A 279 CYS H . 11523 1 1096 . 1 1 92 92 CYS HA H 1 4.302 0.04 . 1 . . . A 279 CYS HA . 11523 1 1097 . 1 1 92 92 CYS HB2 H 1 2.847 0.04 . 2 . . . A 279 CYS HB2 . 11523 1 1098 . 1 1 92 92 CYS HB3 H 1 2.768 0.04 . 2 . . . A 279 CYS HB3 . 11523 1 1099 . 1 1 92 92 CYS C C 13 174.327 0.40 . 1 . . . A 279 CYS C . 11523 1 1100 . 1 1 92 92 CYS CA C 13 58.998 0.40 . 1 . . . A 279 CYS CA . 11523 1 1101 . 1 1 92 92 CYS CB C 13 27.662 0.40 . 1 . . . A 279 CYS CB . 11523 1 1102 . 1 1 92 92 CYS N N 15 120.799 0.40 . 1 . . . A 279 CYS N . 11523 1 1103 . 1 1 93 93 ALA H H 1 8.064 0.04 . 1 . . . A 280 ALA H . 11523 1 1104 . 1 1 93 93 ALA HA H 1 4.205 0.04 . 1 . . . A 280 ALA HA . 11523 1 1105 . 1 1 93 93 ALA HB1 H 1 1.296 0.04 . 1 . . . A 280 ALA HB1 . 11523 1 1106 . 1 1 93 93 ALA HB2 H 1 1.296 0.04 . 1 . . . A 280 ALA HB2 . 11523 1 1107 . 1 1 93 93 ALA HB3 H 1 1.296 0.04 . 1 . . . A 280 ALA HB3 . 11523 1 1108 . 1 1 93 93 ALA C C 13 177.378 0.40 . 1 . . . A 280 ALA C . 11523 1 1109 . 1 1 93 93 ALA CA C 13 52.472 0.40 . 1 . . . A 280 ALA CA . 11523 1 1110 . 1 1 93 93 ALA CB C 13 19.154 0.40 . 1 . . . A 280 ALA CB . 11523 1 1111 . 1 1 93 93 ALA N N 15 127.213 0.40 . 1 . . . A 280 ALA N . 11523 1 1112 . 1 1 94 94 VAL H H 1 7.783 0.04 . 1 . . . A 281 VAL H . 11523 1 1113 . 1 1 94 94 VAL HA H 1 4.034 0.04 . 1 . . . A 281 VAL HA . 11523 1 1114 . 1 1 94 94 VAL HB H 1 2.037 0.04 . 1 . . . A 281 VAL HB . 11523 1 1115 . 1 1 94 94 VAL HG11 H 1 0.854 0.04 . 1 . . . A 281 VAL HG11 . 11523 1 1116 . 1 1 94 94 VAL HG12 H 1 0.854 0.04 . 1 . . . A 281 VAL HG12 . 11523 1 1117 . 1 1 94 94 VAL HG13 H 1 0.854 0.04 . 1 . . . A 281 VAL HG13 . 11523 1 1118 . 1 1 94 94 VAL HG21 H 1 0.892 0.04 . 1 . . . A 281 VAL HG21 . 11523 1 1119 . 1 1 94 94 VAL HG22 H 1 0.892 0.04 . 1 . . . A 281 VAL HG22 . 11523 1 1120 . 1 1 94 94 VAL HG23 H 1 0.892 0.04 . 1 . . . A 281 VAL HG23 . 11523 1 1121 . 1 1 94 94 VAL C C 13 176.358 0.40 . 1 . . . A 281 VAL C . 11523 1 1122 . 1 1 94 94 VAL CA C 13 62.379 0.40 . 1 . . . A 281 VAL CA . 11523 1 1123 . 1 1 94 94 VAL CB C 13 32.471 0.40 . 1 . . . A 281 VAL CB . 11523 1 1124 . 1 1 94 94 VAL CG1 C 13 21.022 0.40 . 1 . . . A 281 VAL CG1 . 11523 1 1125 . 1 1 94 94 VAL CG2 C 13 20.470 0.40 . 1 . . . A 281 VAL CG2 . 11523 1 1126 . 1 1 94 94 VAL N N 15 119.707 0.40 . 1 . . . A 281 VAL N . 11523 1 1127 . 1 1 95 95 GLY H H 1 8.267 0.04 . 1 . . . A 282 GLY H . 11523 1 1128 . 1 1 95 95 GLY HA2 H 1 3.874 0.04 . 2 . . . A 282 GLY HA2 . 11523 1 1129 . 1 1 95 95 GLY HA3 H 1 3.953 0.04 . 2 . . . A 282 GLY HA3 . 11523 1 1130 . 1 1 95 95 GLY C C 13 173.808 0.40 . 1 . . . A 282 GLY C . 11523 1 1131 . 1 1 95 95 GLY CA C 13 45.143 0.40 . 1 . . . A 282 GLY CA . 11523 1 1132 . 1 1 95 95 GLY N N 15 113.398 0.40 . 1 . . . A 282 GLY N . 11523 1 1133 . 1 1 96 96 LEU H H 1 7.892 0.04 . 1 . . . A 283 LEU H . 11523 1 1134 . 1 1 96 96 LEU HA H 1 4.307 0.04 . 1 . . . A 283 LEU HA . 11523 1 1135 . 1 1 96 96 LEU HB2 H 1 1.539 0.04 . 2 . . . A 283 LEU HB2 . 11523 1 1136 . 1 1 96 96 LEU HB3 H 1 1.586 0.04 . 2 . . . A 283 LEU HB3 . 11523 1 1137 . 1 1 96 96 LEU HG H 1 1.503 0.04 . 1 . . . A 283 LEU HG . 11523 1 1138 . 1 1 96 96 LEU HD11 H 1 0.858 0.04 . 2 . . . A 283 LEU HD11 . 11523 1 1139 . 1 1 96 96 LEU HD12 H 1 0.858 0.04 . 2 . . . A 283 LEU HD12 . 11523 1 1140 . 1 1 96 96 LEU HD13 H 1 0.858 0.04 . 2 . . . A 283 LEU HD13 . 11523 1 1141 . 1 1 96 96 LEU HD21 H 1 0.811 0.04 . 2 . . . A 283 LEU HD21 . 11523 1 1142 . 1 1 96 96 LEU HD22 H 1 0.811 0.04 . 2 . . . A 283 LEU HD22 . 11523 1 1143 . 1 1 96 96 LEU HD23 H 1 0.811 0.04 . 2 . . . A 283 LEU HD23 . 11523 1 1144 . 1 1 96 96 LEU C C 13 176.214 0.40 . 1 . . . A 283 LEU C . 11523 1 1145 . 1 1 96 96 LEU CA C 13 55.182 0.40 . 1 . . . A 283 LEU CA . 11523 1 1146 . 1 1 96 96 LEU CB C 13 42.252 0.40 . 1 . . . A 283 LEU CB . 11523 1 1147 . 1 1 96 96 LEU CG C 13 26.774 0.40 . 1 . . . A 283 LEU CG . 11523 1 1148 . 1 1 96 96 LEU CD1 C 13 24.930 0.40 . 2 . . . A 283 LEU CD1 . 11523 1 1149 . 1 1 96 96 LEU CD2 C 13 23.278 0.40 . 2 . . . A 283 LEU CD2 . 11523 1 1150 . 1 1 96 96 LEU N N 15 123.636 0.40 . 1 . . . A 283 LEU N . 11523 1 1151 . 1 1 97 97 LYS H H 1 7.772 0.04 . 1 . . . A 284 LYS H . 11523 1 1152 . 1 1 97 97 LYS C C 13 175.644 0.40 . 1 . . . A 284 LYS C . 11523 1 1153 . 1 1 97 97 LYS CA C 13 57.762 0.40 . 1 . . . A 284 LYS CA . 11523 1 1154 . 1 1 97 97 LYS CB C 13 33.758 0.40 . 1 . . . A 284 LYS CB . 11523 1 1155 . 1 1 97 97 LYS N N 15 128.324 0.40 . 1 . . . A 284 LYS N . 11523 1 stop_ save_