data_7113 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7113 _Entry.Title ; Chemical Shift Assignments for the First Immunoglobulin Domain of Myotilin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-17 _Entry.Accession_date 2006-05-17 _Entry.Last_release_date 2009-05-27 _Entry.Original_release_date 2009-05-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details '1H, 15N and 13C chemical shift assignments of the first immunoglobulin domain of myotilin' _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 Outi Heikkinen . K . 7113 2 Ilkka Kilpelainen . . . 7113 3 Perttu Permi . . . 7113 4 Jari Ylanne . . . 7113 5 Harri Koskela . . . 7113 6 Sami Heikkinen . . . 7113 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7113 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 397 7113 '15N chemical shifts' 92 7113 '1H chemical shifts' 692 7113 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 . . 2009-05-27 2006-05-17 original author . 7113 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7113 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19418025 _Citation.Full_citation . _Citation.Title 'Solution Structure of The First Immunoglobulin Domain of Myotilin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 44 _Citation.Journal_issue 2 _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 107 _Citation.Page_last 112 _Citation.Year 2009 _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 Outi Heikkinen . K. . 7113 1 2 Perttu Permi . . . 7113 1 3 Harri Koskela . . . 7113 1 4 Olli Carpen . . . 7113 1 5 Jari Ylanne . . . 7113 1 6 Ilkka Kilpelainen . . . 7113 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7113 _Assembly.ID 1 _Assembly.Name 'The First Immunoglobulin Domain of Myotilin (Residues 249-344)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 11000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7113 1 stop_ 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 Myotilin_Ig1 1 $Myotilin_Ig1 . . yes native no no . . . 7113 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Myotilin_Ig1 _Entity.Sf_category entity _Entity.Sf_framecode Myotilin_Ig1 _Entity.Entry_ID 7113 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'The First Immunoglobulin Domain of Myotilin' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGPPRFIQVPENMSIDEG RFCRMDFKVSGLPAPDVSWY LNGRTVQSDDLHKMIVSEKG LHSLIFEVVRASDAGAYACV AKNRAGEATFTVQLDVLAKE ; _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 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details Cis-PRO277 _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2KDG . "Solution Structure Of The 1st Ig Domain Of Myotilin" . . . . . 100.00 100 100.00 100.00 9.25e-68 . . . . 7113 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Structural protein' 7113 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'The First Immunoglobulin Domain of Myotilin' . 7113 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 -4 GLY . 7113 1 2 -3 ALA . 7113 1 3 -2 MET . 7113 1 4 -1 GLY . 7113 1 5 249 PRO . 7113 1 6 250 PRO . 7113 1 7 251 ARG . 7113 1 8 252 PHE . 7113 1 9 253 ILE . 7113 1 10 254 GLN . 7113 1 11 255 VAL . 7113 1 12 256 PRO . 7113 1 13 257 GLU . 7113 1 14 258 ASN . 7113 1 15 259 MET . 7113 1 16 260 SER . 7113 1 17 261 ILE . 7113 1 18 262 ASP . 7113 1 19 263 GLU . 7113 1 20 264 GLY . 7113 1 21 265 ARG . 7113 1 22 266 PHE . 7113 1 23 267 CYS . 7113 1 24 268 ARG . 7113 1 25 269 MET . 7113 1 26 270 ASP . 7113 1 27 271 PHE . 7113 1 28 272 LYS . 7113 1 29 273 VAL . 7113 1 30 274 SER . 7113 1 31 275 GLY . 7113 1 32 276 LEU . 7113 1 33 277 PRO . 7113 1 34 278 ALA . 7113 1 35 279 PRO . 7113 1 36 280 ASP . 7113 1 37 281 VAL . 7113 1 38 282 SER . 7113 1 39 283 TRP . 7113 1 40 284 TYR . 7113 1 41 285 LEU . 7113 1 42 286 ASN . 7113 1 43 287 GLY . 7113 1 44 288 ARG . 7113 1 45 289 THR . 7113 1 46 290 VAL . 7113 1 47 291 GLN . 7113 1 48 292 SER . 7113 1 49 293 ASP . 7113 1 50 294 ASP . 7113 1 51 295 LEU . 7113 1 52 296 HIS . 7113 1 53 297 LYS . 7113 1 54 298 MET . 7113 1 55 299 ILE . 7113 1 56 300 VAL . 7113 1 57 301 SER . 7113 1 58 302 GLU . 7113 1 59 303 LYS . 7113 1 60 304 GLY . 7113 1 61 305 LEU . 7113 1 62 306 HIS . 7113 1 63 307 SER . 7113 1 64 308 LEU . 7113 1 65 309 ILE . 7113 1 66 310 PHE . 7113 1 67 311 GLU . 7113 1 68 312 VAL . 7113 1 69 313 VAL . 7113 1 70 314 ARG . 7113 1 71 315 ALA . 7113 1 72 316 SER . 7113 1 73 317 ASP . 7113 1 74 318 ALA . 7113 1 75 319 GLY . 7113 1 76 320 ALA . 7113 1 77 321 TYR . 7113 1 78 322 ALA . 7113 1 79 323 CYS . 7113 1 80 324 VAL . 7113 1 81 325 ALA . 7113 1 82 326 LYS . 7113 1 83 327 ASN . 7113 1 84 328 ARG . 7113 1 85 329 ALA . 7113 1 86 330 GLY . 7113 1 87 331 GLU . 7113 1 88 332 ALA . 7113 1 89 333 THR . 7113 1 90 334 PHE . 7113 1 91 335 THR . 7113 1 92 336 VAL . 7113 1 93 337 GLN . 7113 1 94 338 LEU . 7113 1 95 339 ASP . 7113 1 96 340 VAL . 7113 1 97 341 LEU . 7113 1 98 342 ALA . 7113 1 99 343 LYS . 7113 1 100 344 GLU . 7113 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 . GLY 1 1 7113 1 . ALA 2 2 7113 1 . MET 3 3 7113 1 . GLY 4 4 7113 1 . PRO 5 5 7113 1 . PRO 6 6 7113 1 . ARG 7 7 7113 1 . PHE 8 8 7113 1 . ILE 9 9 7113 1 . GLN 10 10 7113 1 . VAL 11 11 7113 1 . PRO 12 12 7113 1 . GLU 13 13 7113 1 . ASN 14 14 7113 1 . MET 15 15 7113 1 . SER 16 16 7113 1 . ILE 17 17 7113 1 . ASP 18 18 7113 1 . GLU 19 19 7113 1 . GLY 20 20 7113 1 . ARG 21 21 7113 1 . PHE 22 22 7113 1 . CYS 23 23 7113 1 . ARG 24 24 7113 1 . MET 25 25 7113 1 . ASP 26 26 7113 1 . PHE 27 27 7113 1 . LYS 28 28 7113 1 . VAL 29 29 7113 1 . SER 30 30 7113 1 . GLY 31 31 7113 1 . LEU 32 32 7113 1 . PRO 33 33 7113 1 . ALA 34 34 7113 1 . PRO 35 35 7113 1 . ASP 36 36 7113 1 . VAL 37 37 7113 1 . SER 38 38 7113 1 . TRP 39 39 7113 1 . TYR 40 40 7113 1 . LEU 41 41 7113 1 . ASN 42 42 7113 1 . GLY 43 43 7113 1 . ARG 44 44 7113 1 . THR 45 45 7113 1 . VAL 46 46 7113 1 . GLN 47 47 7113 1 . SER 48 48 7113 1 . ASP 49 49 7113 1 . ASP 50 50 7113 1 . LEU 51 51 7113 1 . HIS 52 52 7113 1 . LYS 53 53 7113 1 . MET 54 54 7113 1 . ILE 55 55 7113 1 . VAL 56 56 7113 1 . SER 57 57 7113 1 . GLU 58 58 7113 1 . LYS 59 59 7113 1 . GLY 60 60 7113 1 . LEU 61 61 7113 1 . HIS 62 62 7113 1 . SER 63 63 7113 1 . LEU 64 64 7113 1 . ILE 65 65 7113 1 . PHE 66 66 7113 1 . GLU 67 67 7113 1 . VAL 68 68 7113 1 . VAL 69 69 7113 1 . ARG 70 70 7113 1 . ALA 71 71 7113 1 . SER 72 72 7113 1 . ASP 73 73 7113 1 . ALA 74 74 7113 1 . GLY 75 75 7113 1 . ALA 76 76 7113 1 . TYR 77 77 7113 1 . ALA 78 78 7113 1 . CYS 79 79 7113 1 . VAL 80 80 7113 1 . ALA 81 81 7113 1 . LYS 82 82 7113 1 . ASN 83 83 7113 1 . ARG 84 84 7113 1 . ALA 85 85 7113 1 . GLY 86 86 7113 1 . GLU 87 87 7113 1 . ALA 88 88 7113 1 . THR 89 89 7113 1 . PHE 90 90 7113 1 . THR 91 91 7113 1 . VAL 92 92 7113 1 . GLN 93 93 7113 1 . LEU 94 94 7113 1 . ASP 95 95 7113 1 . VAL 96 96 7113 1 . LEU 97 97 7113 1 . ALA 98 98 7113 1 . LYS 99 99 7113 1 . GLU 100 100 7113 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 7113 _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 $Myotilin_Ig1 . 9606 . no . 'Homo Sapiens' . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7113 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 7113 _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 $Myotilin_Ig1 . 'recombinant technology' . 'E. Coli' . . . . 'BL21 (DE3)' . . . . . . . . . . . . . . . C1-5A . . . . . . 7113 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7113 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM Myotilin 249-344; 20 mM Phosphate buffer, 140 mM NaCl, 1 mM DTT, pH 6.7; 90% H2O, 10 % D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Myotilin_Ig1 '[U-U-15N; U-13C]' . . 1 $Myotilin_Ig1 . protein 0.5 . . mM . . . . 7113 1 2 'Phosphate Buffer' . . . . . . buffer 20 . . mM . . . . 7113 1 3 'Sodium Chloride' . . . . . . salt 140 . . mM . . . . 7113 1 4 Dithiothreitol . . . . . . 'reducing agent' 1 . . mM . . . . 7113 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7113 _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 6.7 0.05 pH 7113 1 temperature 293 1 K 7113 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7113 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Varian Inc.' . . 7113 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data aquisition and processing' 7113 1 stop_ save_ save_Autoassign _Software.Sf_category software _Software.Sf_framecode Autoassign _Software.Entry_ID 7113 _Software.ID 2 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automated peak assignments' 7113 2 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 7113 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.106 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectra visualization and chemical shift assignment' 7113 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7113 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7113 _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 1H15N_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 2 1H13C_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 3 HNCA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 4 HNCACB no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 5 HNCOCA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 6 HNCOCACB no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 7 iHNCA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 8 CCCONH no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 9 HCCCOHN no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 10 HCCH-COSY no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 11 1H13C_NOESY_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 12 1H15N_NOESY_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 13 HNCO no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 14 HNCACO no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7113 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7113 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $800MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7113 _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 Water protons . . . . ppm 4.83 internal indirect 0.25144952 . . . . . . . . . 7113 1 H 1 Water protons . . . . ppm 4.83 internal direct 1.0 . . . . . . . . . 7113 1 N 15 Water protons . . . . ppm 4.83 internal indirect 0.10132905 . . . . . . . . . 7113 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7113 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 1H15N_HSQC 1 $sample_1 isotropic 7113 1 2 1H13C_HSQC 1 $sample_1 isotropic 7113 1 3 HNCA 1 $sample_1 isotropic 7113 1 4 HNCACB 1 $sample_1 isotropic 7113 1 5 HNCOCA 1 $sample_1 isotropic 7113 1 6 HNCOCACB 1 $sample_1 isotropic 7113 1 7 iHNCA 1 $sample_1 isotropic 7113 1 8 CCCONH 1 $sample_1 isotropic 7113 1 9 HCCCOHN 1 $sample_1 isotropic 7113 1 10 HCCH-COSY 1 $sample_1 isotropic 7113 1 11 1H13C_NOESY_HSQC 1 $sample_1 isotropic 7113 1 12 1H15N_NOESY_HSQC 1 $sample_1 isotropic 7113 1 13 HNCO 1 $sample_1 isotropic 7113 1 14 HNCACO 1 $sample_1 isotropic 7113 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 GLY HA2 H 1 3.593 0.000 . 1 . . . . -4 GLY QA . 7113 1 2 . 1 1 1 1 GLY HA3 H 1 3.593 0.000 . 1 . . . . -4 GLY QA . 7113 1 3 . 1 1 1 1 GLY CA C 13 43.507 0.000 . 1 . . . . -4 GLY CA . 7113 1 4 . 1 1 2 2 ALA HA H 1 4.167 0.000 . 1 . . . . -3 ALA HA . 7113 1 5 . 1 1 2 2 ALA HB1 H 1 1.167 0.000 . 1 . . . . -3 ALA QB . 7113 1 6 . 1 1 2 2 ALA HB2 H 1 1.167 0.000 . 1 . . . . -3 ALA QB . 7113 1 7 . 1 1 2 2 ALA HB3 H 1 1.167 0.000 . 1 . . . . -3 ALA QB . 7113 1 8 . 1 1 2 2 ALA C C 13 177.254 0.040 . 1 . . . . -3 ALA C . 7113 1 9 . 1 1 2 2 ALA CA C 13 52.427 0.041 . 1 . . . . -3 ALA CA . 7113 1 10 . 1 1 2 2 ALA CB C 13 19.740 0.080 . 1 . . . . -3 ALA CB . 7113 1 11 . 1 1 3 3 MET H H 1 8.135 0.001 . 1 . . . . -2 MET H . 7113 1 12 . 1 1 3 3 MET HA H 1 4.351 0.001 . 1 . . . . -2 MET HA . 7113 1 13 . 1 1 3 3 MET HB2 H 1 1.819 0.000 . 1 . . . . -2 MET QB . 7113 1 14 . 1 1 3 3 MET HB3 H 1 1.819 0.000 . 1 . . . . -2 MET QB . 7113 1 15 . 1 1 3 3 MET HG2 H 1 2.428 0.000 . 2 . . . . -2 MET HG2 . 7113 1 16 . 1 1 3 3 MET HG3 H 1 2.263 0.000 . 2 . . . . -2 MET HG3 . 7113 1 17 . 1 1 3 3 MET HE1 H 1 1.858 0.000 . 1 . . . . -2 MET QE . 7113 1 18 . 1 1 3 3 MET HE2 H 1 1.858 0.000 . 1 . . . . -2 MET QE . 7113 1 19 . 1 1 3 3 MET HE3 H 1 1.858 0.000 . 1 . . . . -2 MET QE . 7113 1 20 . 1 1 3 3 MET C C 13 176.007 0.037 . 1 . . . . -2 MET C . 7113 1 21 . 1 1 3 3 MET CA C 13 55.444 0.037 . 1 . . . . -2 MET CA . 7113 1 22 . 1 1 3 3 MET CB C 13 34.277 0.043 . 1 . . . . -2 MET CB . 7113 1 23 . 1 1 3 3 MET CG C 13 32.241 0.067 . 1 . . . . -2 MET CG . 7113 1 24 . 1 1 3 3 MET CE C 13 17.183 0.000 . 1 . . . . -2 MET CE . 7113 1 25 . 1 1 3 3 MET N N 15 125.628 0.028 . 1 . . . . -2 MET N . 7113 1 26 . 1 1 4 4 GLY H H 1 8.951 0.004 . 1 . . . . -1 GLY H . 7113 1 27 . 1 1 4 4 GLY HA2 H 1 3.755 0.000 . 1 . . . . -1 GLY HA2 . 7113 1 28 . 1 1 4 4 GLY HA3 H 1 4.123 0.000 . 1 . . . . -1 GLY HA3 . 7113 1 29 . 1 1 4 4 GLY C C 13 170.379 0.000 . 1 . . . . -1 GLY C . 7113 1 30 . 1 1 4 4 GLY CA C 13 45.128 0.026 . 1 . . . . -1 GLY CA . 7113 1 31 . 1 1 4 4 GLY N N 15 117.337 0.036 . 1 . . . . -1 GLY N . 7113 1 32 . 1 1 5 5 PRO HA H 1 4.360 0.000 . 1 . . . . 249 PRO HA . 7113 1 33 . 1 1 5 5 PRO HB2 H 1 1.706 0.000 . 1 . . . . 249 PRO HB2 . 7113 1 34 . 1 1 5 5 PRO HB3 H 1 1.769 0.000 . 1 . . . . 249 PRO HB3 . 7113 1 35 . 1 1 5 5 PRO HG2 H 1 1.710 0.000 . 1 . . . . 249 PRO HG2 . 7113 1 36 . 1 1 5 5 PRO HG3 H 1 1.826 0.000 . 1 . . . . 249 PRO HG3 . 7113 1 37 . 1 1 5 5 PRO HD2 H 1 3.432 0.000 . 1 . . . . 249 PRO HD2 . 7113 1 38 . 1 1 5 5 PRO HD3 H 1 3.390 0.000 . 1 . . . . 249 PRO HD3 . 7113 1 39 . 1 1 5 5 PRO CA C 13 61.198 0.000 . 1 . . . . 249 PRO CA . 7113 1 40 . 1 1 5 5 PRO CB C 13 30.375 0.006 . 1 . . . . 249 PRO CB . 7113 1 41 . 1 1 5 5 PRO CG C 13 26.810 0.004 . 1 . . . . 249 PRO CG . 7113 1 42 . 1 1 5 5 PRO CD C 13 50.248 0.001 . 1 . . . . 249 PRO CD . 7113 1 43 . 1 1 6 6 PRO HA H 1 4.591 0.000 . 1 . . . . 250 PRO HA . 7113 1 44 . 1 1 6 6 PRO HB2 H 1 1.030 0.001 . 1 . . . . 250 PRO HB2 . 7113 1 45 . 1 1 6 6 PRO HB3 H 1 1.329 0.005 . 1 . . . . 250 PRO HB3 . 7113 1 46 . 1 1 6 6 PRO HG2 H 1 1.575 0.000 . 1 . . . . 250 PRO HG2 . 7113 1 47 . 1 1 6 6 PRO HG3 H 1 1.106 0.000 . 1 . . . . 250 PRO HG3 . 7113 1 48 . 1 1 6 6 PRO HD2 H 1 2.608 0.000 . 1 . . . . 250 PRO HD2 . 7113 1 49 . 1 1 6 6 PRO HD3 H 1 3.525 0.000 . 1 . . . . 250 PRO HD3 . 7113 1 50 . 1 1 6 6 PRO C C 13 175.444 0.000 . 1 . . . . 250 PRO C . 7113 1 51 . 1 1 6 6 PRO CA C 13 61.829 0.042 . 1 . . . . 250 PRO CA . 7113 1 52 . 1 1 6 6 PRO CB C 13 32.464 0.071 . 1 . . . . 250 PRO CB . 7113 1 53 . 1 1 6 6 PRO CG C 13 28.166 0.066 . 1 . . . . 250 PRO CG . 7113 1 54 . 1 1 6 6 PRO CD C 13 49.944 0.013 . 1 . . . . 250 PRO CD . 7113 1 55 . 1 1 7 7 ARG H H 1 7.588 0.006 . 1 . . . . 251 ARG H . 7113 1 56 . 1 1 7 7 ARG HA H 1 4.078 0.000 . 1 . . . . 251 ARG HA . 7113 1 57 . 1 1 7 7 ARG HB2 H 1 1.406 0.000 . 1 . . . . 251 ARG HB2 . 7113 1 58 . 1 1 7 7 ARG HB3 H 1 1.356 0.000 . 1 . . . . 251 ARG HB3 . 7113 1 59 . 1 1 7 7 ARG HG2 H 1 1.288 0.000 . 2 . . . . 251 ARG HG2 . 7113 1 60 . 1 1 7 7 ARG HG3 H 1 1.197 0.000 . 2 . . . . 251 ARG HG3 . 7113 1 61 . 1 1 7 7 ARG HD2 H 1 2.923 0.001 . 1 . . . . 251 ARG QD . 7113 1 62 . 1 1 7 7 ARG HD3 H 1 2.923 0.001 . 1 . . . . 251 ARG QD . 7113 1 63 . 1 1 7 7 ARG HE H 1 6.953 0.000 . 1 . . . . 251 ARG HE . 7113 1 64 . 1 1 7 7 ARG C C 13 175.065 0.000 . 1 . . . . 251 ARG C . 7113 1 65 . 1 1 7 7 ARG CA C 13 54.552 0.032 . 1 . . . . 251 ARG CA . 7113 1 66 . 1 1 7 7 ARG CB C 13 33.587 0.056 . 1 . . . . 251 ARG CB . 7113 1 67 . 1 1 7 7 ARG CG C 13 27.148 0.083 . 1 . . . . 251 ARG CG . 7113 1 68 . 1 1 7 7 ARG CD C 13 43.562 0.073 . 1 . . . . 251 ARG CD . 7113 1 69 . 1 1 7 7 ARG N N 15 124.900 0.026 . 1 . . . . 251 ARG N . 7113 1 70 . 1 1 7 7 ARG NE N 15 122.221 0.069 . 1 . . . . 251 ARG NE . 7113 1 71 . 1 1 8 8 PHE H H 1 8.893 0.001 . 1 . . . . 252 PHE H . 7113 1 72 . 1 1 8 8 PHE HA H 1 4.708 0.008 . 1 . . . . 252 PHE HA . 7113 1 73 . 1 1 8 8 PHE HB2 H 1 2.669 0.005 . 1 . . . . 252 PHE QB . 7113 1 74 . 1 1 8 8 PHE HB3 H 1 2.669 0.005 . 1 . . . . 252 PHE QB . 7113 1 75 . 1 1 8 8 PHE HD1 H 1 7.103 0.003 . 3 . . . . 252 PHE QD . 7113 1 76 . 1 1 8 8 PHE HD2 H 1 7.103 0.003 . 3 . . . . 252 PHE QD . 7113 1 77 . 1 1 8 8 PHE HE1 H 1 7.104 0.001 . 3 . . . . 252 PHE QE . 7113 1 78 . 1 1 8 8 PHE HE2 H 1 7.104 0.001 . 3 . . . . 252 PHE QE . 7113 1 79 . 1 1 8 8 PHE HZ H 1 6.691 0.000 . 1 . . . . 252 PHE HZ . 7113 1 80 . 1 1 8 8 PHE CA C 13 59.744 0.039 . 1 . . . . 252 PHE CA . 7113 1 81 . 1 1 8 8 PHE CB C 13 39.263 0.020 . 1 . . . . 252 PHE CB . 7113 1 82 . 1 1 8 8 PHE CD1 C 13 131.302 0.058 . 3 . . . . 252 PHE CD1 . 7113 1 83 . 1 1 8 8 PHE CE1 C 13 131.304 0.059 . 3 . . . . 252 PHE CE1 . 7113 1 84 . 1 1 8 8 PHE CZ C 13 131.417 0.000 . 1 . . . . 252 PHE CZ . 7113 1 85 . 1 1 8 8 PHE N N 15 128.828 0.018 . 1 . . . . 252 PHE N . 7113 1 86 . 1 1 9 9 ILE H H 1 8.223 0.002 . 1 . . . . 253 ILE H . 7113 1 87 . 1 1 9 9 ILE HA H 1 4.090 0.000 . 1 . . . . 253 ILE HA . 7113 1 88 . 1 1 9 9 ILE HB H 1 1.591 0.000 . 1 . . . . 253 ILE HB . 7113 1 89 . 1 1 9 9 ILE HG12 H 1 1.168 0.000 . 2 . . . . 253 ILE HG12 . 7113 1 90 . 1 1 9 9 ILE HG13 H 1 0.840 0.000 . 2 . . . . 253 ILE HG13 . 7113 1 91 . 1 1 9 9 ILE HG21 H 1 0.738 0.000 . 1 . . . . 253 ILE HG2 . 7113 1 92 . 1 1 9 9 ILE HG22 H 1 0.738 0.000 . 1 . . . . 253 ILE HG2 . 7113 1 93 . 1 1 9 9 ILE HG23 H 1 0.738 0.000 . 1 . . . . 253 ILE HG2 . 7113 1 94 . 1 1 9 9 ILE HD11 H 1 0.612 0.000 . 1 . . . . 253 ILE QD1 . 7113 1 95 . 1 1 9 9 ILE HD12 H 1 0.612 0.000 . 1 . . . . 253 ILE QD1 . 7113 1 96 . 1 1 9 9 ILE HD13 H 1 0.612 0.000 . 1 . . . . 253 ILE QD1 . 7113 1 97 . 1 1 9 9 ILE C C 13 175.698 0.047 . 1 . . . . 253 ILE C . 7113 1 98 . 1 1 9 9 ILE CA C 13 61.230 0.019 . 1 . . . . 253 ILE CA . 7113 1 99 . 1 1 9 9 ILE CB C 13 39.165 0.000 . 1 . . . . 253 ILE CB . 7113 1 100 . 1 1 9 9 ILE CG1 C 13 27.550 0.001 . 1 . . . . 253 ILE CG1 . 7113 1 101 . 1 1 9 9 ILE CG2 C 13 17.618 0.000 . 1 . . . . 253 ILE CG2 . 7113 1 102 . 1 1 9 9 ILE CD1 C 13 12.684 0.000 . 1 . . . . 253 ILE CD1 . 7113 1 103 . 1 1 9 9 ILE N N 15 128.239 0.024 . 1 . . . . 253 ILE N . 7113 1 104 . 1 1 10 10 GLN H H 1 7.437 0.003 . 1 . . . . 254 GLN H . 7113 1 105 . 1 1 10 10 GLN HA H 1 4.450 0.000 . 1 . . . . 254 GLN HA . 7113 1 106 . 1 1 10 10 GLN HB2 H 1 1.889 0.000 . 2 . . . . 254 GLN HB2 . 7113 1 107 . 1 1 10 10 GLN HB3 H 1 1.615 0.000 . 2 . . . . 254 GLN HB3 . 7113 1 108 . 1 1 10 10 GLN HG2 H 1 2.203 0.000 . 2 . . . . 254 GLN HG2 . 7113 1 109 . 1 1 10 10 GLN HG3 H 1 1.980 0.000 . 2 . . . . 254 GLN HG3 . 7113 1 110 . 1 1 10 10 GLN HE21 H 1 7.437 0.000 . 2 . . . . 254 GLN HE21 . 7113 1 111 . 1 1 10 10 GLN HE22 H 1 6.596 0.000 . 2 . . . . 254 GLN HE22 . 7113 1 112 . 1 1 10 10 GLN C C 13 174.149 0.000 . 1 . . . . 254 GLN C . 7113 1 113 . 1 1 10 10 GLN CA C 13 56.197 0.039 . 1 . . . . 254 GLN CA . 7113 1 114 . 1 1 10 10 GLN CB C 13 32.367 0.008 . 1 . . . . 254 GLN CB . 7113 1 115 . 1 1 10 10 GLN CG C 13 33.653 0.003 . 1 . . . . 254 GLN CG . 7113 1 116 . 1 1 10 10 GLN N N 15 127.323 0.026 . 1 . . . . 254 GLN N . 7113 1 117 . 1 1 10 10 GLN NE2 N 15 117.612 0.001 . 1 . . . . 254 GLN NE2 . 7113 1 118 . 1 1 11 11 VAL H H 1 8.283 0.000 . 1 . . . . 255 VAL H . 7113 1 119 . 1 1 11 11 VAL HA H 1 4.185 0.004 . 1 . . . . 255 VAL HA . 7113 1 120 . 1 1 11 11 VAL HB H 1 1.092 0.000 . 1 . . . . 255 VAL HB . 7113 1 121 . 1 1 11 11 VAL HG11 H 1 0.351 0.000 . 2 . . . . 255 VAL QG1 . 7113 1 122 . 1 1 11 11 VAL HG12 H 1 0.351 0.000 . 2 . . . . 255 VAL QG1 . 7113 1 123 . 1 1 11 11 VAL HG13 H 1 0.351 0.000 . 2 . . . . 255 VAL QG1 . 7113 1 124 . 1 1 11 11 VAL HG21 H 1 0.124 0.000 . 2 . . . . 255 VAL QG2 . 7113 1 125 . 1 1 11 11 VAL HG22 H 1 0.124 0.000 . 2 . . . . 255 VAL QG2 . 7113 1 126 . 1 1 11 11 VAL HG23 H 1 0.124 0.000 . 2 . . . . 255 VAL QG2 . 7113 1 127 . 1 1 11 11 VAL CA C 13 57.931 0.000 . 1 . . . . 255 VAL CA . 7113 1 128 . 1 1 11 11 VAL CB C 13 33.230 0.035 . 1 . . . . 255 VAL CB . 7113 1 129 . 1 1 11 11 VAL CG1 C 13 18.640 0.000 . 2 . . . . 255 VAL CG1 . 7113 1 130 . 1 1 11 11 VAL CG2 C 13 21.679 0.000 . 2 . . . . 255 VAL CG2 . 7113 1 131 . 1 1 11 11 VAL N N 15 126.734 0.000 . 1 . . . . 255 VAL N . 7113 1 132 . 1 1 12 12 PRO HA H 1 4.538 0.000 . 1 . . . . 256 PRO HA . 7113 1 133 . 1 1 12 12 PRO HB2 H 1 2.370 0.000 . 1 . . . . 256 PRO HB2 . 7113 1 134 . 1 1 12 12 PRO HB3 H 1 1.917 0.000 . 1 . . . . 256 PRO HB3 . 7113 1 135 . 1 1 12 12 PRO HG2 H 1 1.651 0.000 . 1 . . . . 256 PRO HG2 . 7113 1 136 . 1 1 12 12 PRO HG3 H 1 1.732 0.000 . 1 . . . . 256 PRO HG3 . 7113 1 137 . 1 1 12 12 PRO HD2 H 1 3.025 0.000 . 1 . . . . 256 PRO HD2 . 7113 1 138 . 1 1 12 12 PRO HD3 H 1 2.303 0.000 . 1 . . . . 256 PRO HD3 . 7113 1 139 . 1 1 12 12 PRO CA C 13 62.209 0.031 . 1 . . . . 256 PRO CA . 7113 1 140 . 1 1 12 12 PRO CB C 13 31.724 0.004 . 1 . . . . 256 PRO CB . 7113 1 141 . 1 1 12 12 PRO CG C 13 27.440 0.000 . 1 . . . . 256 PRO CG . 7113 1 142 . 1 1 12 12 PRO CD C 13 50.300 0.002 . 1 . . . . 256 PRO CD . 7113 1 143 . 1 1 13 13 GLU H H 1 7.870 0.002 . 1 . . . . 257 GLU H . 7113 1 144 . 1 1 13 13 GLU HA H 1 4.257 0.000 . 1 . . . . 257 GLU HA . 7113 1 145 . 1 1 13 13 GLU HB2 H 1 2.013 0.002 . 2 . . . . 257 GLU HB2 . 7113 1 146 . 1 1 13 13 GLU HB3 H 1 1.708 0.000 . 2 . . . . 257 GLU HB3 . 7113 1 147 . 1 1 13 13 GLU HG2 H 1 2.221 0.001 . 2 . . . . 257 GLU HG2 . 7113 1 148 . 1 1 13 13 GLU HG3 H 1 2.166 0.001 . 2 . . . . 257 GLU HG3 . 7113 1 149 . 1 1 13 13 GLU CA C 13 54.764 0.034 . 1 . . . . 257 GLU CA . 7113 1 150 . 1 1 13 13 GLU CB C 13 31.690 0.043 . 1 . . . . 257 GLU CB . 7113 1 151 . 1 1 13 13 GLU CG C 13 36.522 0.000 . 1 . . . . 257 GLU CG . 7113 1 152 . 1 1 13 13 GLU N N 15 124.369 0.005 . 1 . . . . 257 GLU N . 7113 1 153 . 1 1 14 14 ASN H H 1 8.133 0.000 . 1 . . . . 258 ASN H . 7113 1 154 . 1 1 14 14 ASN HA H 1 4.639 0.000 . 1 . . . . 258 ASN HA . 7113 1 155 . 1 1 14 14 ASN HB2 H 1 2.885 0.007 . 1 . . . . 258 ASN HB2 . 7113 1 156 . 1 1 14 14 ASN HB3 H 1 2.542 0.015 . 1 . . . . 258 ASN HB3 . 7113 1 157 . 1 1 14 14 ASN HD21 H 1 7.639 0.000 . 2 . . . . 258 ASN HD21 . 7113 1 158 . 1 1 14 14 ASN HD22 H 1 6.910 0.000 . 2 . . . . 258 ASN HD22 . 7113 1 159 . 1 1 14 14 ASN CA C 13 54.285 0.000 . 1 . . . . 258 ASN CA . 7113 1 160 . 1 1 14 14 ASN CB C 13 38.023 0.003 . 1 . . . . 258 ASN CB . 7113 1 161 . 1 1 14 14 ASN N N 15 123.151 0.000 . 1 . . . . 258 ASN N . 7113 1 162 . 1 1 14 14 ASN ND2 N 15 120.248 0.000 . 1 . . . . 258 ASN ND2 . 7113 1 163 . 1 1 15 15 MET H H 1 8.295 0.003 . 1 . . . . 259 MET H . 7113 1 164 . 1 1 15 15 MET HA H 1 4.695 0.002 . 1 . . . . 259 MET HA . 7113 1 165 . 1 1 15 15 MET HB2 H 1 1.706 0.001 . 1 . . . . 259 MET HB2 . 7113 1 166 . 1 1 15 15 MET HB3 H 1 1.785 0.008 . 1 . . . . 259 MET HB3 . 7113 1 167 . 1 1 15 15 MET HG2 H 1 2.319 0.000 . 1 . . . . 259 MET HG2 . 7113 1 168 . 1 1 15 15 MET HG3 H 1 2.452 0.000 . 1 . . . . 259 MET HG3 . 7113 1 169 . 1 1 15 15 MET HE1 H 1 1.920 0.000 . 1 . . . . 259 MET QE . 7113 1 170 . 1 1 15 15 MET HE2 H 1 1.920 0.000 . 1 . . . . 259 MET QE . 7113 1 171 . 1 1 15 15 MET HE3 H 1 1.920 0.000 . 1 . . . . 259 MET QE . 7113 1 172 . 1 1 15 15 MET C C 13 174.675 0.050 . 1 . . . . 259 MET C . 7113 1 173 . 1 1 15 15 MET CA C 13 55.153 0.025 . 1 . . . . 259 MET CA . 7113 1 174 . 1 1 15 15 MET CB C 13 38.064 0.065 . 1 . . . . 259 MET CB . 7113 1 175 . 1 1 15 15 MET CG C 13 31.434 0.091 . 1 . . . . 259 MET CG . 7113 1 176 . 1 1 15 15 MET CE C 13 17.398 0.000 . 1 . . . . 259 MET CE . 7113 1 177 . 1 1 15 15 MET N N 15 125.442 0.034 . 1 . . . . 259 MET N . 7113 1 178 . 1 1 16 16 SER H H 1 8.332 0.008 . 1 . . . . 260 SER H . 7113 1 179 . 1 1 16 16 SER HA H 1 5.261 0.000 . 1 . . . . 260 SER HA . 7113 1 180 . 1 1 16 16 SER HB2 H 1 3.497 0.000 . 2 . . . . 260 SER HB2 . 7113 1 181 . 1 1 16 16 SER HB3 H 1 3.462 0.000 . 2 . . . . 260 SER HB3 . 7113 1 182 . 1 1 16 16 SER C C 13 172.889 0.039 . 1 . . . . 260 SER C . 7113 1 183 . 1 1 16 16 SER CA C 13 56.748 0.039 . 1 . . . . 260 SER CA . 7113 1 184 . 1 1 16 16 SER CB C 13 64.170 0.037 . 1 . . . . 260 SER CB . 7113 1 185 . 1 1 16 16 SER N N 15 125.417 0.022 . 1 . . . . 260 SER N . 7113 1 186 . 1 1 17 17 ILE H H 1 8.394 0.004 . 1 . . . . 261 ILE H . 7113 1 187 . 1 1 17 17 ILE HA H 1 4.366 0.000 . 1 . . . . 261 ILE HA . 7113 1 188 . 1 1 17 17 ILE HB H 1 1.401 0.000 . 1 . . . . 261 ILE HB . 7113 1 189 . 1 1 17 17 ILE HG12 H 1 1.087 0.000 . 1 . . . . 261 ILE HG12 . 7113 1 190 . 1 1 17 17 ILE HG13 H 1 1.284 0.000 . 1 . . . . 261 ILE HG13 . 7113 1 191 . 1 1 17 17 ILE HG21 H 1 0.627 0.000 . 1 . . . . 261 ILE HG2 . 7113 1 192 . 1 1 17 17 ILE HG22 H 1 0.627 0.000 . 1 . . . . 261 ILE HG2 . 7113 1 193 . 1 1 17 17 ILE HG23 H 1 0.627 0.000 . 1 . . . . 261 ILE HG2 . 7113 1 194 . 1 1 17 17 ILE HD11 H 1 0.694 0.000 . 1 . . . . 261 ILE QD1 . 7113 1 195 . 1 1 17 17 ILE HD12 H 1 0.694 0.000 . 1 . . . . 261 ILE QD1 . 7113 1 196 . 1 1 17 17 ILE HD13 H 1 0.694 0.000 . 1 . . . . 261 ILE QD1 . 7113 1 197 . 1 1 17 17 ILE C C 13 173.465 0.048 . 1 . . . . 261 ILE C . 7113 1 198 . 1 1 17 17 ILE CA C 13 57.461 0.039 . 1 . . . . 261 ILE CA . 7113 1 199 . 1 1 17 17 ILE CB C 13 41.882 0.046 . 1 . . . . 261 ILE CB . 7113 1 200 . 1 1 17 17 ILE CG1 C 13 27.637 0.071 . 1 . . . . 261 ILE CG1 . 7113 1 201 . 1 1 17 17 ILE CG2 C 13 17.808 0.000 . 1 . . . . 261 ILE CG2 . 7113 1 202 . 1 1 17 17 ILE CD1 C 13 12.351 0.000 . 1 . . . . 261 ILE CD1 . 7113 1 203 . 1 1 17 17 ILE N N 15 131.680 0.022 . 1 . . . . 261 ILE N . 7113 1 204 . 1 1 18 18 ASP H H 1 8.043 0.002 . 1 . . . . 262 ASP H . 7113 1 205 . 1 1 18 18 ASP HA H 1 4.498 0.003 . 1 . . . . 262 ASP HA . 7113 1 206 . 1 1 18 18 ASP HB2 H 1 2.144 0.001 . 1 . . . . 262 ASP HB2 . 7113 1 207 . 1 1 18 18 ASP HB3 H 1 2.419 0.001 . 1 . . . . 262 ASP HB3 . 7113 1 208 . 1 1 18 18 ASP C C 13 174.970 0.043 . 1 . . . . 262 ASP C . 7113 1 209 . 1 1 18 18 ASP CA C 13 54.962 0.049 . 1 . . . . 262 ASP CA . 7113 1 210 . 1 1 18 18 ASP CB C 13 41.518 0.070 . 1 . . . . 262 ASP CB . 7113 1 211 . 1 1 18 18 ASP N N 15 132.455 0.031 . 1 . . . . 262 ASP N . 7113 1 212 . 1 1 19 19 GLU H H 1 8.058 0.002 . 1 . . . . 263 GLU H . 7113 1 213 . 1 1 19 19 GLU HA H 1 3.322 0.000 . 1 . . . . 263 GLU HA . 7113 1 214 . 1 1 19 19 GLU HB2 H 1 1.677 0.000 . 1 . . . . 263 GLU HB2 . 7113 1 215 . 1 1 19 19 GLU HB3 H 1 1.759 0.000 . 1 . . . . 263 GLU HB3 . 7113 1 216 . 1 1 19 19 GLU HG2 H 1 2.135 0.000 . 1 . . . . 263 GLU QG . 7113 1 217 . 1 1 19 19 GLU HG3 H 1 2.135 0.000 . 1 . . . . 263 GLU QG . 7113 1 218 . 1 1 19 19 GLU C C 13 176.656 0.037 . 1 . . . . 263 GLU C . 7113 1 219 . 1 1 19 19 GLU CA C 13 58.351 0.038 . 1 . . . . 263 GLU CA . 7113 1 220 . 1 1 19 19 GLU CB C 13 29.716 0.035 . 1 . . . . 263 GLU CB . 7113 1 221 . 1 1 19 19 GLU CG C 13 36.871 0.088 . 1 . . . . 263 GLU CG . 7113 1 222 . 1 1 19 19 GLU N N 15 126.424 0.031 . 1 . . . . 263 GLU N . 7113 1 223 . 1 1 20 20 GLY H H 1 9.131 0.004 . 1 . . . . 264 GLY H . 7113 1 224 . 1 1 20 20 GLY HA2 H 1 3.366 0.002 . 1 . . . . 264 GLY HA2 . 7113 1 225 . 1 1 20 20 GLY HA3 H 1 4.196 0.000 . 1 . . . . 264 GLY HA3 . 7113 1 226 . 1 1 20 20 GLY C C 13 174.582 0.043 . 1 . . . . 264 GLY C . 7113 1 227 . 1 1 20 20 GLY CA C 13 44.837 0.041 . 1 . . . . 264 GLY CA . 7113 1 228 . 1 1 20 20 GLY N N 15 119.124 0.029 . 1 . . . . 264 GLY N . 7113 1 229 . 1 1 21 21 ARG H H 1 7.192 0.003 . 1 . . . . 265 ARG H . 7113 1 230 . 1 1 21 21 ARG HA H 1 4.377 0.002 . 1 . . . . 265 ARG HA . 7113 1 231 . 1 1 21 21 ARG HB2 H 1 1.749 0.000 . 2 . . . . 265 ARG HB2 . 7113 1 232 . 1 1 21 21 ARG HB3 H 1 1.916 0.002 . 2 . . . . 265 ARG HB3 . 7113 1 233 . 1 1 21 21 ARG HG2 H 1 1.604 0.002 . 2 . . . . 265 ARG HG2 . 7113 1 234 . 1 1 21 21 ARG HG3 H 1 1.446 0.003 . 2 . . . . 265 ARG HG3 . 7113 1 235 . 1 1 21 21 ARG HD2 H 1 3.100 0.002 . 1 . . . . 265 ARG QD . 7113 1 236 . 1 1 21 21 ARG HD3 H 1 3.100 0.002 . 1 . . . . 265 ARG QD . 7113 1 237 . 1 1 21 21 ARG HE H 1 7.286 0.000 . 1 . . . . 265 ARG HE . 7113 1 238 . 1 1 21 21 ARG C C 13 174.091 0.041 . 1 . . . . 265 ARG C . 7113 1 239 . 1 1 21 21 ARG CA C 13 55.263 0.038 . 1 . . . . 265 ARG CA . 7113 1 240 . 1 1 21 21 ARG CB C 13 31.467 0.055 . 1 . . . . 265 ARG CB . 7113 1 241 . 1 1 21 21 ARG CG C 13 27.891 0.051 . 1 . . . . 265 ARG CG . 7113 1 242 . 1 1 21 21 ARG CD C 13 43.022 0.063 . 1 . . . . 265 ARG CD . 7113 1 243 . 1 1 21 21 ARG N N 15 126.182 0.030 . 1 . . . . 265 ARG N . 7113 1 244 . 1 1 21 21 ARG NE N 15 122.286 0.094 . 1 . . . . 265 ARG NE . 7113 1 245 . 1 1 22 22 PHE H H 1 7.699 0.001 . 1 . . . . 266 PHE H . 7113 1 246 . 1 1 22 22 PHE HA H 1 4.688 0.000 . 1 . . . . 266 PHE HA . 7113 1 247 . 1 1 22 22 PHE HB2 H 1 2.669 0.004 . 1 . . . . 266 PHE HB2 . 7113 1 248 . 1 1 22 22 PHE HB3 H 1 3.022 0.001 . 1 . . . . 266 PHE HB3 . 7113 1 249 . 1 1 22 22 PHE HD1 H 1 7.026 0.004 . 3 . . . . 266 PHE QD . 7113 1 250 . 1 1 22 22 PHE HD2 H 1 7.026 0.004 . 3 . . . . 266 PHE QD . 7113 1 251 . 1 1 22 22 PHE HE1 H 1 6.998 0.000 . 3 . . . . 266 PHE QE . 7113 1 252 . 1 1 22 22 PHE HE2 H 1 6.998 0.000 . 3 . . . . 266 PHE QE . 7113 1 253 . 1 1 22 22 PHE HZ H 1 6.924 0.000 . 1 . . . . 266 PHE HZ . 7113 1 254 . 1 1 22 22 PHE C C 13 175.911 0.044 . 1 . . . . 266 PHE C . 7113 1 255 . 1 1 22 22 PHE CA C 13 57.132 0.026 . 1 . . . . 266 PHE CA . 7113 1 256 . 1 1 22 22 PHE CB C 13 41.270 0.072 . 1 . . . . 266 PHE CB . 7113 1 257 . 1 1 22 22 PHE CD1 C 13 132.372 0.000 . 3 . . . . 266 PHE CD1 . 7113 1 258 . 1 1 22 22 PHE CE1 C 13 130.96 0.000 . 3 . . . . 266 PHE CE1 . 7113 1 259 . 1 1 22 22 PHE CZ C 13 129.3 0.000 . 1 . . . . 266 PHE CZ . 7113 1 260 . 1 1 22 22 PHE N N 15 127.111 0.022 . 1 . . . . 266 PHE N . 7113 1 261 . 1 1 23 23 CYS H H 1 8.140 0.003 . 1 . . . . 267 CYS H . 7113 1 262 . 1 1 23 23 CYS HA H 1 4.282 0.000 . 1 . . . . 267 CYS HA . 7113 1 263 . 1 1 23 23 CYS HB2 H 1 2.446 0.000 . 2 . . . . 267 CYS HB2 . 7113 1 264 . 1 1 23 23 CYS HB3 H 1 2.339 0.000 . 2 . . . . 267 CYS HB3 . 7113 1 265 . 1 1 23 23 CYS C C 13 170.233 0.000 . 1 . . . . 267 CYS C . 7113 1 266 . 1 1 23 23 CYS CA C 13 57.626 0.026 . 1 . . . . 267 CYS CA . 7113 1 267 . 1 1 23 23 CYS CB C 13 30.411 0.028 . 1 . . . . 267 CYS CB . 7113 1 268 . 1 1 23 23 CYS N N 15 130.194 0.033 . 1 . . . . 267 CYS N . 7113 1 269 . 1 1 24 24 ARG H H 1 8.160 0.000 . 1 . . . . 268 ARG H . 7113 1 270 . 1 1 24 24 ARG HA H 1 5.167 0.000 . 1 . . . . 268 ARG HA . 7113 1 271 . 1 1 24 24 ARG HB2 H 1 1.550 0.000 . 2 . . . . 268 ARG HB2 . 7113 1 272 . 1 1 24 24 ARG HB3 H 1 1.313 0.000 . 2 . . . . 268 ARG HB3 . 7113 1 273 . 1 1 24 24 ARG HG2 H 1 1.451 0.001 . 2 . . . . 268 ARG HG2 . 7113 1 274 . 1 1 24 24 ARG HG3 H 1 1.264 0.000 . 2 . . . . 268 ARG HG3 . 7113 1 275 . 1 1 24 24 ARG HD2 H 1 3.249 0.004 . 2 . . . . 268 ARG HD2 . 7113 1 276 . 1 1 24 24 ARG HD3 H 1 2.924 0.000 . 2 . . . . 268 ARG HD3 . 7113 1 277 . 1 1 24 24 ARG HE H 1 8.713 0.002 . 1 . . . . 268 ARG HE . 7113 1 278 . 1 1 24 24 ARG CA C 13 53.910 0.014 . 1 . . . . 268 ARG CA . 7113 1 279 . 1 1 24 24 ARG CB C 13 35.114 0.001 . 1 . . . . 268 ARG CB . 7113 1 280 . 1 1 24 24 ARG CG C 13 25.191 0.022 . 1 . . . . 268 ARG CG . 7113 1 281 . 1 1 24 24 ARG CD C 13 44.858 0.030 . 1 . . . . 268 ARG CD . 7113 1 282 . 1 1 24 24 ARG NE N 15 124.275 0.038 . 1 . . . . 268 ARG NE . 7113 1 283 . 1 1 25 25 MET H H 1 8.839 0.005 . 1 . . . . 269 MET H . 7113 1 284 . 1 1 25 25 MET HA H 1 4.518 0.000 . 1 . . . . 269 MET HA . 7113 1 285 . 1 1 25 25 MET HB2 H 1 1.996 0.005 . 2 . . . . 269 MET HB2 . 7113 1 286 . 1 1 25 25 MET HB3 H 1 1.733 0.006 . 2 . . . . 269 MET HB3 . 7113 1 287 . 1 1 25 25 MET HG2 H 1 2.301 0.000 . 2 . . . . 269 MET HG2 . 7113 1 288 . 1 1 25 25 MET HG3 H 1 2.206 0.000 . 2 . . . . 269 MET HG3 . 7113 1 289 . 1 1 25 25 MET HE1 H 1 1.354 0.000 . 1 . . . . 269 MET QE . 7113 1 290 . 1 1 25 25 MET HE2 H 1 1.354 0.000 . 1 . . . . 269 MET QE . 7113 1 291 . 1 1 25 25 MET HE3 H 1 1.354 0.000 . 1 . . . . 269 MET QE . 7113 1 292 . 1 1 25 25 MET C C 13 174.090 0.000 . 1 . . . . 269 MET C . 7113 1 293 . 1 1 25 25 MET CA C 13 54.960 0.030 . 1 . . . . 269 MET CA . 7113 1 294 . 1 1 25 25 MET CB C 13 35.645 0.026 . 1 . . . . 269 MET CB . 7113 1 295 . 1 1 25 25 MET CG C 13 33.130 0.007 . 1 . . . . 269 MET CG . 7113 1 296 . 1 1 25 25 MET CE C 13 18.575 0.000 . 1 . . . . 269 MET CE . 7113 1 297 . 1 1 25 25 MET N N 15 127.757 0.040 . 1 . . . . 269 MET N . 7113 1 298 . 1 1 26 26 ASP H H 1 8.473 0.003 . 1 . . . . 270 ASP H . 7113 1 299 . 1 1 26 26 ASP HA H 1 5.772 0.000 . 1 . . . . 270 ASP HA . 7113 1 300 . 1 1 26 26 ASP HB2 H 1 2.370 0.000 . 1 . . . . 270 ASP QB . 7113 1 301 . 1 1 26 26 ASP HB3 H 1 2.370 0.000 . 1 . . . . 270 ASP QB . 7113 1 302 . 1 1 26 26 ASP CA C 13 53.157 0.075 . 1 . . . . 270 ASP CA . 7113 1 303 . 1 1 26 26 ASP CB C 13 43.595 0.000 . 1 . . . . 270 ASP CB . 7113 1 304 . 1 1 26 26 ASP N N 15 129.880 0.029 . 1 . . . . 270 ASP N . 7113 1 305 . 1 1 27 27 PHE H H 1 9.180 0.000 . 1 . . . . 271 PHE H . 7113 1 306 . 1 1 27 27 PHE HA H 1 5.014 0.000 . 1 . . . . 271 PHE HA . 7113 1 307 . 1 1 27 27 PHE HB2 H 1 2.560 0.000 . 2 . . . . 271 PHE HB2 . 7113 1 308 . 1 1 27 27 PHE HB3 H 1 2.380 0.000 . 2 . . . . 271 PHE HB3 . 7113 1 309 . 1 1 27 27 PHE HD1 H 1 6.620 0.000 . 3 . . . . 271 PHE QD . 7113 1 310 . 1 1 27 27 PHE HD2 H 1 6.620 0.000 . 3 . . . . 271 PHE QD . 7113 1 311 . 1 1 27 27 PHE HE1 H 1 6.827 0.000 . 3 . . . . 271 PHE QE . 7113 1 312 . 1 1 27 27 PHE HE2 H 1 6.827 0.000 . 3 . . . . 271 PHE QE . 7113 1 313 . 1 1 27 27 PHE HZ H 1 6.214 0.000 . 1 . . . . 271 PHE HZ . 7113 1 314 . 1 1 27 27 PHE CA C 13 55.904 0.034 . 1 . . . . 271 PHE CA . 7113 1 315 . 1 1 27 27 PHE CD1 C 13 131.86 0.000 . 3 . . . . 271 PHE CD1 . 7113 1 316 . 1 1 27 27 PHE CE1 C 13 130.2 0.000 . 3 . . . . 271 PHE CE1 . 7113 1 317 . 1 1 27 27 PHE N N 15 123.116 0.000 . 1 . . . . 271 PHE N . 7113 1 318 . 1 1 28 28 LYS H H 1 9.221 0.002 . 1 . . . . 272 LYS H . 7113 1 319 . 1 1 28 28 LYS HB2 H 1 1.719 0.000 . 1 . . . . 272 LYS HB2 . 7113 1 320 . 1 1 28 28 LYS HB3 H 1 1.428 0.000 . 1 . . . . 272 LYS HB3 . 7113 1 321 . 1 1 28 28 LYS HG2 H 1 1.304 0.000 . 2 . . . . 272 LYS HG2 . 7113 1 322 . 1 1 28 28 LYS HG3 H 1 1.250 0.000 . 2 . . . . 272 LYS HG3 . 7113 1 323 . 1 1 28 28 LYS HD2 H 1 1.467 0.000 . 2 . . . . 272 LYS HD2 . 7113 1 324 . 1 1 28 28 LYS HD3 H 1 1.405 0.000 . 2 . . . . 272 LYS HD3 . 7113 1 325 . 1 1 28 28 LYS HE2 H 1 2.695 0.000 . 2 . . . . 272 LYS HE2 . 7113 1 326 . 1 1 28 28 LYS HE3 H 1 2.661 0.000 . 2 . . . . 272 LYS HE3 . 7113 1 327 . 1 1 28 28 LYS CA C 13 59.294 0.008 . 1 . . . . 272 LYS CA . 7113 1 328 . 1 1 28 28 LYS CB C 13 38.090 0.000 . 1 . . . . 272 LYS CB . 7113 1 329 . 1 1 28 28 LYS CG C 13 26.225 0.004 . 1 . . . . 272 LYS CG . 7113 1 330 . 1 1 28 28 LYS CD C 13 29.855 0.004 . 1 . . . . 272 LYS CD . 7113 1 331 . 1 1 28 28 LYS CE C 13 41.963 0.000 . 1 . . . . 272 LYS CE . 7113 1 332 . 1 1 28 28 LYS N N 15 131.321 0.024 . 1 . . . . 272 LYS N . 7113 1 333 . 1 1 29 29 VAL H H 1 8.304 0.000 . 1 . . . . 273 VAL H . 7113 1 334 . 1 1 29 29 VAL HA H 1 4.331 0.000 . 1 . . . . 273 VAL HA . 7113 1 335 . 1 1 29 29 VAL HB H 1 1.503 0.000 . 1 . . . . 273 VAL HB . 7113 1 336 . 1 1 29 29 VAL HG11 H 1 0.425 0.000 . 2 . . . . 273 VAL QG1 . 7113 1 337 . 1 1 29 29 VAL HG12 H 1 0.425 0.000 . 2 . . . . 273 VAL QG1 . 7113 1 338 . 1 1 29 29 VAL HG13 H 1 0.425 0.000 . 2 . . . . 273 VAL QG1 . 7113 1 339 . 1 1 29 29 VAL HG21 H 1 0.315 0.000 . 2 . . . . 273 VAL QG2 . 7113 1 340 . 1 1 29 29 VAL HG22 H 1 0.315 0.000 . 2 . . . . 273 VAL QG2 . 7113 1 341 . 1 1 29 29 VAL HG23 H 1 0.315 0.000 . 2 . . . . 273 VAL QG2 . 7113 1 342 . 1 1 29 29 VAL C C 13 175.240 0.000 . 1 . . . . 273 VAL C . 7113 1 343 . 1 1 29 29 VAL CA C 13 61.020 0.067 . 1 . . . . 273 VAL CA . 7113 1 344 . 1 1 29 29 VAL CB C 13 33.889 0.043 . 1 . . . . 273 VAL CB . 7113 1 345 . 1 1 29 29 VAL CG1 C 13 19.660 0.000 . 2 . . . . 273 VAL CG1 . 7113 1 346 . 1 1 29 29 VAL CG2 C 13 20.354 0.000 . 2 . . . . 273 VAL CG2 . 7113 1 347 . 1 1 30 30 SER H H 1 8.545 0.002 . 1 . . . . 274 SER H . 7113 1 348 . 1 1 30 30 SER HA H 1 4.647 0.003 . 1 . . . . 274 SER HA . 7113 1 349 . 1 1 30 30 SER HB2 H 1 3.684 0.005 . 2 . . . . 274 SER HB2 . 7113 1 350 . 1 1 30 30 SER HB3 H 1 3.483 0.002 . 2 . . . . 274 SER HB3 . 7113 1 351 . 1 1 30 30 SER C C 13 172.993 0.036 . 1 . . . . 274 SER C . 7113 1 352 . 1 1 30 30 SER CA C 13 56.505 0.038 . 1 . . . . 274 SER CA . 7113 1 353 . 1 1 30 30 SER CB C 13 65.805 0.075 . 1 . . . . 274 SER CB . 7113 1 354 . 1 1 30 30 SER N N 15 129.796 0.025 . 1 . . . . 274 SER N . 7113 1 355 . 1 1 31 31 GLY H H 1 7.712 0.001 . 1 . . . . 275 GLY H . 7113 1 356 . 1 1 31 31 GLY HA2 H 1 3.220 0.005 . 1 . . . . 275 GLY HA2 . 7113 1 357 . 1 1 31 31 GLY HA3 H 1 3.649 0.001 . 1 . . . . 275 GLY HA3 . 7113 1 358 . 1 1 31 31 GLY C C 13 170.984 0.047 . 1 . . . . 275 GLY C . 7113 1 359 . 1 1 31 31 GLY CA C 13 45.099 0.042 . 1 . . . . 275 GLY CA . 7113 1 360 . 1 1 31 31 GLY N N 15 115.009 0.032 . 1 . . . . 275 GLY N . 7113 1 361 . 1 1 32 32 LEU H H 1 7.668 0.003 . 1 . . . . 276 LEU H . 7113 1 362 . 1 1 32 32 LEU HA H 1 4.301 0.000 . 1 . . . . 276 LEU HA . 7113 1 363 . 1 1 32 32 LEU HB2 H 1 1.255 0.000 . 1 . . . . 276 LEU HB2 . 7113 1 364 . 1 1 32 32 LEU HB3 H 1 1.316 0.000 . 1 . . . . 276 LEU HB3 . 7113 1 365 . 1 1 32 32 LEU HG H 1 1.258 0.005 . 1 . . . . 276 LEU HG . 7113 1 366 . 1 1 32 32 LEU HD11 H 1 0.665 0.001 . 1 . . . . 276 LEU QD1 . 7113 1 367 . 1 1 32 32 LEU HD12 H 1 0.665 0.001 . 1 . . . . 276 LEU QD1 . 7113 1 368 . 1 1 32 32 LEU HD13 H 1 0.665 0.001 . 1 . . . . 276 LEU QD1 . 7113 1 369 . 1 1 32 32 LEU HD21 H 1 0.673 0.000 . 1 . . . . 276 LEU QD2 . 7113 1 370 . 1 1 32 32 LEU HD22 H 1 0.673 0.000 . 1 . . . . 276 LEU QD2 . 7113 1 371 . 1 1 32 32 LEU HD23 H 1 0.673 0.000 . 1 . . . . 276 LEU QD2 . 7113 1 372 . 1 1 32 32 LEU C C 13 173.812 0.000 . 1 . . . . 276 LEU C . 7113 1 373 . 1 1 32 32 LEU CA C 13 52.370 0.031 . 1 . . . . 276 LEU CA . 7113 1 374 . 1 1 32 32 LEU CB C 13 45.554 0.054 . 1 . . . . 276 LEU CB . 7113 1 375 . 1 1 32 32 LEU CG C 13 27.016 0.011 . 1 . . . . 276 LEU CG . 7113 1 376 . 1 1 32 32 LEU CD1 C 13 24.328 0.000 . 1 . . . . 276 LEU CD1 . 7113 1 377 . 1 1 32 32 LEU CD2 C 13 25.177 0.000 . 1 . . . . 276 LEU CD2 . 7113 1 378 . 1 1 32 32 LEU N N 15 129.727 0.027 . 1 . . . . 276 LEU N . 7113 1 379 . 1 1 33 33 PRO HA H 1 4.416 0.006 . 1 . . . . 277 PRO HA . 7113 1 380 . 1 1 33 33 PRO HB2 H 1 1.875 0.001 . 1 . . . . 277 PRO HB2 . 7113 1 381 . 1 1 33 33 PRO HB3 H 1 2.344 0.004 . 1 . . . . 277 PRO HB3 . 7113 1 382 . 1 1 33 33 PRO HG2 H 1 1.757 0.000 . 1 . . . . 277 PRO HG2 . 7113 1 383 . 1 1 33 33 PRO HG3 H 1 1.726 0.000 . 1 . . . . 277 PRO HG3 . 7113 1 384 . 1 1 33 33 PRO HD2 H 1 3.034 0.000 . 1 . . . . 277 PRO HD2 . 7113 1 385 . 1 1 33 33 PRO HD3 H 1 3.483 0.000 . 1 . . . . 277 PRO HD3 . 7113 1 386 . 1 1 33 33 PRO CA C 13 62.576 0.066 . 1 . . . . 277 PRO CA . 7113 1 387 . 1 1 33 33 PRO CB C 13 35.012 0.078 . 1 . . . . 277 PRO CB . 7113 1 388 . 1 1 33 33 PRO CG C 13 26.197 0.061 . 1 . . . . 277 PRO CG . 7113 1 389 . 1 1 33 33 PRO CD C 13 50.203 0.044 . 1 . . . . 277 PRO CD . 7113 1 390 . 1 1 34 34 ALA H H 1 8.598 0.002 . 1 . . . . 278 ALA H . 7113 1 391 . 1 1 34 34 ALA HA H 1 4.153 0.004 . 1 . . . . 278 ALA HA . 7113 1 392 . 1 1 34 34 ALA HB1 H 1 1.233 0.001 . 1 . . . . 278 ALA QB . 7113 1 393 . 1 1 34 34 ALA HB2 H 1 1.233 0.001 . 1 . . . . 278 ALA QB . 7113 1 394 . 1 1 34 34 ALA HB3 H 1 1.233 0.001 . 1 . . . . 278 ALA QB . 7113 1 395 . 1 1 34 34 ALA CA C 13 50.822 0.034 . 1 . . . . 278 ALA CA . 7113 1 396 . 1 1 34 34 ALA CB C 13 17.462 0.000 . 1 . . . . 278 ALA CB . 7113 1 397 . 1 1 34 34 ALA N N 15 131.518 0.034 . 1 . . . . 278 ALA N . 7113 1 398 . 1 1 35 35 PRO HA H 1 4.206 0.006 . 1 . . . . 279 PRO HA . 7113 1 399 . 1 1 35 35 PRO HB2 H 1 1.418 0.000 . 1 . . . . 279 PRO HB2 . 7113 1 400 . 1 1 35 35 PRO HB3 H 1 1.490 0.000 . 1 . . . . 279 PRO HB3 . 7113 1 401 . 1 1 35 35 PRO HG2 H 1 1.326 0.000 . 1 . . . . 279 PRO HG2 . 7113 1 402 . 1 1 35 35 PRO HG3 H 1 1.510 0.000 . 1 . . . . 279 PRO HG3 . 7113 1 403 . 1 1 35 35 PRO HD2 H 1 3.513 0.000 . 2 . . . . 279 PRO HD2 . 7113 1 404 . 1 1 35 35 PRO HD3 H 1 3.392 0.000 . 2 . . . . 279 PRO HD3 . 7113 1 405 . 1 1 35 35 PRO C C 13 175.701 0.038 . 1 . . . . 279 PRO C . 7113 1 406 . 1 1 35 35 PRO CA C 13 62.628 0.047 . 1 . . . . 279 PRO CA . 7113 1 407 . 1 1 35 35 PRO CB C 13 33.069 0.075 . 1 . . . . 279 PRO CB . 7113 1 408 . 1 1 35 35 PRO CG C 13 27.473 0.076 . 1 . . . . 279 PRO CG . 7113 1 409 . 1 1 35 35 PRO CD C 13 50.919 0.051 . 1 . . . . 279 PRO CD . 7113 1 410 . 1 1 36 36 ASP H H 1 8.621 0.003 . 1 . . . . 280 ASP H . 7113 1 411 . 1 1 36 36 ASP HA H 1 4.659 0.001 . 1 . . . . 280 ASP HA . 7113 1 412 . 1 1 36 36 ASP HB2 H 1 2.535 0.005 . 2 . . . . 280 ASP HB2 . 7113 1 413 . 1 1 36 36 ASP HB3 H 1 2.395 0.001 . 2 . . . . 280 ASP HB3 . 7113 1 414 . 1 1 36 36 ASP C C 13 176.057 0.000 . 1 . . . . 280 ASP C . 7113 1 415 . 1 1 36 36 ASP CA C 13 54.307 0.028 . 1 . . . . 280 ASP CA . 7113 1 416 . 1 1 36 36 ASP CB C 13 42.741 0.023 . 1 . . . . 280 ASP CB . 7113 1 417 . 1 1 36 36 ASP N N 15 127.555 0.029 . 1 . . . . 280 ASP N . 7113 1 418 . 1 1 37 37 VAL H H 1 8.635 0.000 . 1 . . . . 281 VAL H . 7113 1 419 . 1 1 37 37 VAL HA H 1 4.938 0.000 . 1 . . . . 281 VAL HA . 7113 1 420 . 1 1 37 37 VAL HB H 1 1.677 0.000 . 1 . . . . 281 VAL HB . 7113 1 421 . 1 1 37 37 VAL HG11 H 1 0.600 0.000 . 2 . . . . 281 VAL QG1 . 7113 1 422 . 1 1 37 37 VAL HG12 H 1 0.600 0.000 . 2 . . . . 281 VAL QG1 . 7113 1 423 . 1 1 37 37 VAL HG13 H 1 0.600 0.000 . 2 . . . . 281 VAL QG1 . 7113 1 424 . 1 1 37 37 VAL HG21 H 1 0.469 0.000 . 2 . . . . 281 VAL QG2 . 7113 1 425 . 1 1 37 37 VAL HG22 H 1 0.469 0.000 . 2 . . . . 281 VAL QG2 . 7113 1 426 . 1 1 37 37 VAL HG23 H 1 0.469 0.000 . 2 . . . . 281 VAL QG2 . 7113 1 427 . 1 1 37 37 VAL CA C 13 61.135 0.037 . 1 . . . . 281 VAL CA . 7113 1 428 . 1 1 37 37 VAL CB C 13 34.579 0.000 . 1 . . . . 281 VAL CB . 7113 1 429 . 1 1 37 37 VAL CG1 C 13 20.784 0.000 . 2 . . . . 281 VAL CG1 . 7113 1 430 . 1 1 37 37 VAL CG2 C 13 21.697 0.000 . 2 . . . . 281 VAL CG2 . 7113 1 431 . 1 1 38 38 SER H H 1 8.591 0.003 . 1 . . . . 282 SER H . 7113 1 432 . 1 1 38 38 SER HA H 1 4.518 0.001 . 1 . . . . 282 SER HA . 7113 1 433 . 1 1 38 38 SER HB2 H 1 3.529 0.000 . 2 . . . . 282 SER HB2 . 7113 1 434 . 1 1 38 38 SER HB3 H 1 3.439 0.000 . 2 . . . . 282 SER HB3 . 7113 1 435 . 1 1 38 38 SER CA C 13 57.540 0.048 . 1 . . . . 282 SER CA . 7113 1 436 . 1 1 38 38 SER CB C 13 66.530 0.001 . 1 . . . . 282 SER CB . 7113 1 437 . 1 1 38 38 SER N N 15 128.264 0.022 . 1 . . . . 282 SER N . 7113 1 438 . 1 1 39 39 TRP H H 1 8.426 0.000 . 1 . . . . 283 TRP H . 7113 1 439 . 1 1 39 39 TRP HA H 1 5.297 0.001 . 1 . . . . 283 TRP HA . 7113 1 440 . 1 1 39 39 TRP HB2 H 1 2.809 0.000 . 1 . . . . 283 TRP HB2 . 7113 1 441 . 1 1 39 39 TRP HB3 H 1 2.684 0.002 . 1 . . . . 283 TRP HB3 . 7113 1 442 . 1 1 39 39 TRP HD1 H 1 7.006 0.003 . 1 . . . . 283 TRP HD1 . 7113 1 443 . 1 1 39 39 TRP HE1 H 1 10.504 0.000 . 1 . . . . 283 TRP HE1 . 7113 1 444 . 1 1 39 39 TRP HE3 H 1 7.282 0.000 . 1 . . . . 283 TRP HE3 . 7113 1 445 . 1 1 39 39 TRP HZ2 H 1 7.234 0.004 . 1 . . . . 283 TRP HZ2 . 7113 1 446 . 1 1 39 39 TRP HZ3 H 1 6.600 0.000 . 1 . . . . 283 TRP HZ3 . 7113 1 447 . 1 1 39 39 TRP HH2 H 1 6.820 0.001 . 1 . . . . 283 TRP HH2 . 7113 1 448 . 1 1 39 39 TRP CA C 13 56.298 0.000 . 1 . . . . 283 TRP CA . 7113 1 449 . 1 1 39 39 TRP CB C 13 33.153 0.035 . 1 . . . . 283 TRP CB . 7113 1 450 . 1 1 39 39 TRP CD1 C 13 126.284 0.000 . 1 . . . . 283 TRP CD1 . 7113 1 451 . 1 1 39 39 TRP CE3 C 13 119.866 0.000 . 1 . . . . 283 TRP CE3 . 7113 1 452 . 1 1 39 39 TRP CZ2 C 13 115.123 0.044 . 1 . . . . 283 TRP CZ2 . 7113 1 453 . 1 1 39 39 TRP CZ3 C 13 121.376 0.000 . 1 . . . . 283 TRP CZ3 . 7113 1 454 . 1 1 39 39 TRP CH2 C 13 124.228 0.000 . 1 . . . . 283 TRP CH2 . 7113 1 455 . 1 1 39 39 TRP N N 15 127.698 0.000 . 1 . . . . 283 TRP N . 7113 1 456 . 1 1 40 40 TYR H H 1 9.373 0.000 . 1 . . . . 284 TYR H . 7113 1 457 . 1 1 40 40 TYR HA H 1 4.903 0.004 . 1 . . . . 284 TYR HA . 7113 1 458 . 1 1 40 40 TYR HB2 H 1 2.570 0.010 . 1 . . . . 284 TYR HB2 . 7113 1 459 . 1 1 40 40 TYR HB3 H 1 2.297 0.003 . 1 . . . . 284 TYR HB3 . 7113 1 460 . 1 1 40 40 TYR HD1 H 1 6.530 0.004 . 3 . . . . 284 TYR QD . 7113 1 461 . 1 1 40 40 TYR HD2 H 1 6.530 0.004 . 3 . . . . 284 TYR QD . 7113 1 462 . 1 1 40 40 TYR HE1 H 1 6.452 0.001 . 3 . . . . 284 TYR QE . 7113 1 463 . 1 1 40 40 TYR HE2 H 1 6.452 0.001 . 3 . . . . 284 TYR QE . 7113 1 464 . 1 1 40 40 TYR C C 13 174.148 0.027 . 1 . . . . 284 TYR C . 7113 1 465 . 1 1 40 40 TYR CA C 13 56.849 0.053 . 1 . . . . 284 TYR CA . 7113 1 466 . 1 1 40 40 TYR CB C 13 42.754 0.104 . 1 . . . . 284 TYR CB . 7113 1 467 . 1 1 40 40 TYR CD1 C 13 132.711 0.000 . 3 . . . . 284 TYR CD1 . 7113 1 468 . 1 1 40 40 TYR CE1 C 13 118.222 0.000 . 3 . . . . 284 TYR CE1 . 7113 1 469 . 1 1 40 40 TYR N N 15 125.437 0.000 . 1 . . . . 284 TYR N . 7113 1 470 . 1 1 41 41 LEU H H 1 8.898 0.004 . 1 . . . . 285 LEU H . 7113 1 471 . 1 1 41 41 LEU HA H 1 4.255 0.002 . 1 . . . . 285 LEU HA . 7113 1 472 . 1 1 41 41 LEU HB2 H 1 1.275 0.004 . 2 . . . . 285 LEU HB2 . 7113 1 473 . 1 1 41 41 LEU HB3 H 1 0.601 0.002 . 2 . . . . 285 LEU HB3 . 7113 1 474 . 1 1 41 41 LEU HG H 1 0.934 0.003 . 1 . . . . 285 LEU HG . 7113 1 475 . 1 1 41 41 LEU HD11 H 1 -0.187 0.003 . 1 . . . . 285 LEU QD1 . 7113 1 476 . 1 1 41 41 LEU HD12 H 1 -0.187 0.003 . 1 . . . . 285 LEU QD1 . 7113 1 477 . 1 1 41 41 LEU HD13 H 1 -0.187 0.003 . 1 . . . . 285 LEU QD1 . 7113 1 478 . 1 1 41 41 LEU HD21 H 1 0.601 0.001 . 1 . . . . 285 LEU QD2 . 7113 1 479 . 1 1 41 41 LEU HD22 H 1 0.601 0.001 . 1 . . . . 285 LEU QD2 . 7113 1 480 . 1 1 41 41 LEU HD23 H 1 0.601 0.001 . 1 . . . . 285 LEU QD2 . 7113 1 481 . 1 1 41 41 LEU C C 13 176.606 0.041 . 1 . . . . 285 LEU C . 7113 1 482 . 1 1 41 41 LEU CA C 13 53.659 0.060 . 1 . . . . 285 LEU CA . 7113 1 483 . 1 1 41 41 LEU CB C 13 43.740 0.083 . 1 . . . . 285 LEU CB . 7113 1 484 . 1 1 41 41 LEU CG C 13 27.348 0.063 . 1 . . . . 285 LEU CG . 7113 1 485 . 1 1 41 41 LEU CD1 C 13 21.210 0.051 . 1 . . . . 285 LEU CD1 . 7113 1 486 . 1 1 41 41 LEU CD2 C 13 25.473 0.000 . 1 . . . . 285 LEU CD2 . 7113 1 487 . 1 1 41 41 LEU N N 15 129.512 0.024 . 1 . . . . 285 LEU N . 7113 1 488 . 1 1 42 42 ASN H H 1 9.454 0.002 . 1 . . . . 286 ASN H . 7113 1 489 . 1 1 42 42 ASN HA H 1 4.221 0.005 . 1 . . . . 286 ASN HA . 7113 1 490 . 1 1 42 42 ASN HB2 H 1 2.684 0.001 . 1 . . . . 286 ASN HB2 . 7113 1 491 . 1 1 42 42 ASN HB3 H 1 2.853 0.001 . 1 . . . . 286 ASN HB3 . 7113 1 492 . 1 1 42 42 ASN HD21 H 1 7.605 0.000 . 2 . . . . 286 ASN HD21 . 7113 1 493 . 1 1 42 42 ASN HD22 H 1 6.845 0.000 . 2 . . . . 286 ASN HD22 . 7113 1 494 . 1 1 42 42 ASN C C 13 175.692 0.040 . 1 . . . . 286 ASN C . 7113 1 495 . 1 1 42 42 ASN CA C 13 54.239 0.028 . 1 . . . . 286 ASN CA . 7113 1 496 . 1 1 42 42 ASN CB C 13 37.331 0.062 . 1 . . . . 286 ASN CB . 7113 1 497 . 1 1 42 42 ASN N N 15 134.097 0.026 . 1 . . . . 286 ASN N . 7113 1 498 . 1 1 42 42 ASN ND2 N 15 120.553 0.000 . 1 . . . . 286 ASN ND2 . 7113 1 499 . 1 1 43 43 GLY H H 1 8.709 0.001 . 1 . . . . 287 GLY H . 7113 1 500 . 1 1 43 43 GLY HA2 H 1 3.356 0.002 . 1 . . . . 287 GLY HA2 . 7113 1 501 . 1 1 43 43 GLY HA3 H 1 3.995 0.001 . 1 . . . . 287 GLY HA3 . 7113 1 502 . 1 1 43 43 GLY C C 13 173.786 0.040 . 1 . . . . 287 GLY C . 7113 1 503 . 1 1 43 43 GLY CA C 13 45.450 0.033 . 1 . . . . 287 GLY CA . 7113 1 504 . 1 1 43 43 GLY N N 15 108.807 0.022 . 1 . . . . 287 GLY N . 7113 1 505 . 1 1 44 44 ARG H H 1 7.902 0.003 . 1 . . . . 288 ARG H . 7113 1 506 . 1 1 44 44 ARG HA H 1 4.697 0.008 . 1 . . . . 288 ARG HA . 7113 1 507 . 1 1 44 44 ARG HB2 H 1 1.770 0.007 . 2 . . . . 288 ARG HB2 . 7113 1 508 . 1 1 44 44 ARG HB3 H 1 1.727 0.005 . 2 . . . . 288 ARG HB3 . 7113 1 509 . 1 1 44 44 ARG HG2 H 1 1.518 0.001 . 1 . . . . 288 ARG QG . 7113 1 510 . 1 1 44 44 ARG HG3 H 1 1.518 0.001 . 1 . . . . 288 ARG QG . 7113 1 511 . 1 1 44 44 ARG HD2 H 1 3.075 0.001 . 1 . . . . 288 ARG QD . 7113 1 512 . 1 1 44 44 ARG HD3 H 1 3.075 0.001 . 1 . . . . 288 ARG QD . 7113 1 513 . 1 1 44 44 ARG HE H 1 7.068 0.002 . 1 . . . . 288 ARG HE . 7113 1 514 . 1 1 44 44 ARG C C 13 175.799 0.037 . 1 . . . . 288 ARG C . 7113 1 515 . 1 1 44 44 ARG CA C 13 54.658 0.075 . 1 . . . . 288 ARG CA . 7113 1 516 . 1 1 44 44 ARG CB C 13 32.436 0.070 . 1 . . . . 288 ARG CB . 7113 1 517 . 1 1 44 44 ARG CG C 13 27.268 0.064 . 1 . . . . 288 ARG CG . 7113 1 518 . 1 1 44 44 ARG CD C 13 43.525 0.064 . 1 . . . . 288 ARG CD . 7113 1 519 . 1 1 44 44 ARG N N 15 127.837 0.022 . 1 . . . . 288 ARG N . 7113 1 520 . 1 1 44 44 ARG NE N 15 122.109 0.001 . 1 . . . . 288 ARG NE . 7113 1 521 . 1 1 45 45 THR H H 1 8.539 0.001 . 1 . . . . 289 THR H . 7113 1 522 . 1 1 45 45 THR HA H 1 3.763 0.000 . 1 . . . . 289 THR HA . 7113 1 523 . 1 1 45 45 THR HB H 1 3.766 0.004 . 1 . . . . 289 THR HB . 7113 1 524 . 1 1 45 45 THR HG21 H 1 0.899 0.002 . 1 . . . . 289 THR QG2 . 7113 1 525 . 1 1 45 45 THR HG22 H 1 0.899 0.002 . 1 . . . . 289 THR QG2 . 7113 1 526 . 1 1 45 45 THR HG23 H 1 0.899 0.002 . 1 . . . . 289 THR QG2 . 7113 1 527 . 1 1 45 45 THR C C 13 174.692 0.043 . 1 . . . . 289 THR C . 7113 1 528 . 1 1 45 45 THR CA C 13 63.977 0.052 . 1 . . . . 289 THR CA . 7113 1 529 . 1 1 45 45 THR CB C 13 69.706 0.051 . 1 . . . . 289 THR CB . 7113 1 530 . 1 1 45 45 THR CG2 C 13 21.980 0.076 . 1 . . . . 289 THR CG2 . 7113 1 531 . 1 1 45 45 THR N N 15 126.100 0.023 . 1 . . . . 289 THR N . 7113 1 532 . 1 1 46 46 VAL H H 1 8.033 0.004 . 1 . . . . 290 VAL H . 7113 1 533 . 1 1 46 46 VAL HA H 1 3.647 0.006 . 1 . . . . 290 VAL HA . 7113 1 534 . 1 1 46 46 VAL HB H 1 1.574 0.005 . 1 . . . . 290 VAL HB . 7113 1 535 . 1 1 46 46 VAL HG11 H 1 0.723 0.007 . 2 . . . . 290 VAL QG1 . 7113 1 536 . 1 1 46 46 VAL HG12 H 1 0.723 0.007 . 2 . . . . 290 VAL QG1 . 7113 1 537 . 1 1 46 46 VAL HG13 H 1 0.723 0.007 . 2 . . . . 290 VAL QG1 . 7113 1 538 . 1 1 46 46 VAL HG21 H 1 0.370 0.008 . 2 . . . . 290 VAL QG2 . 7113 1 539 . 1 1 46 46 VAL HG22 H 1 0.370 0.008 . 2 . . . . 290 VAL QG2 . 7113 1 540 . 1 1 46 46 VAL HG23 H 1 0.370 0.008 . 2 . . . . 290 VAL QG2 . 7113 1 541 . 1 1 46 46 VAL C C 13 174.672 0.023 . 1 . . . . 290 VAL C . 7113 1 542 . 1 1 46 46 VAL CA C 13 62.458 0.056 . 1 . . . . 290 VAL CA . 7113 1 543 . 1 1 46 46 VAL CB C 13 32.500 0.060 . 1 . . . . 290 VAL CB . 7113 1 544 . 1 1 46 46 VAL CG1 C 13 22.657 0.048 . 2 . . . . 290 VAL CG1 . 7113 1 545 . 1 1 46 46 VAL CG2 C 13 19.956 0.072 . 2 . . . . 290 VAL CG2 . 7113 1 546 . 1 1 46 46 VAL N N 15 134.795 0.017 . 1 . . . . 290 VAL N . 7113 1 547 . 1 1 47 47 GLN H H 1 8.124 0.002 . 1 . . . . 291 GLN H . 7113 1 548 . 1 1 47 47 GLN HA H 1 4.281 0.004 . 1 . . . . 291 GLN HA . 7113 1 549 . 1 1 47 47 GLN HB2 H 1 1.663 0.001 . 1 . . . . 291 GLN HB2 . 7113 1 550 . 1 1 47 47 GLN HB3 H 1 1.889 0.002 . 1 . . . . 291 GLN HB3 . 7113 1 551 . 1 1 47 47 GLN HG2 H 1 2.135 0.000 . 1 . . . . 291 GLN QG . 7113 1 552 . 1 1 47 47 GLN HG3 H 1 2.135 0.000 . 1 . . . . 291 GLN QG . 7113 1 553 . 1 1 47 47 GLN HE21 H 1 7.378 0.000 . 2 . . . . 291 GLN HE21 . 7113 1 554 . 1 1 47 47 GLN HE22 H 1 6.712 0.000 . 2 . . . . 291 GLN HE22 . 7113 1 555 . 1 1 47 47 GLN C C 13 175.398 0.037 . 1 . . . . 291 GLN C . 7113 1 556 . 1 1 47 47 GLN CA C 13 54.235 0.042 . 1 . . . . 291 GLN CA . 7113 1 557 . 1 1 47 47 GLN CB C 13 30.283 0.032 . 1 . . . . 291 GLN CB . 7113 1 558 . 1 1 47 47 GLN CG C 13 33.865 0.093 . 1 . . . . 291 GLN CG . 7113 1 559 . 1 1 47 47 GLN N N 15 132.792 0.043 . 1 . . . . 291 GLN N . 7113 1 560 . 1 1 47 47 GLN NE2 N 15 118.950 0.000 . 1 . . . . 291 GLN NE2 . 7113 1 561 . 1 1 48 48 SER H H 1 8.280 0.001 . 1 . . . . 292 SER H . 7113 1 562 . 1 1 48 48 SER HA H 1 4.308 0.003 . 1 . . . . 292 SER HA . 7113 1 563 . 1 1 48 48 SER HB2 H 1 3.883 0.000 . 2 . . . . 292 SER HB2 . 7113 1 564 . 1 1 48 48 SER HB3 H 1 3.837 0.000 . 2 . . . . 292 SER HB3 . 7113 1 565 . 1 1 48 48 SER C C 13 174.304 0.040 . 1 . . . . 292 SER C . 7113 1 566 . 1 1 48 48 SER CA C 13 58.222 0.050 . 1 . . . . 292 SER CA . 7113 1 567 . 1 1 48 48 SER CB C 13 63.719 0.055 . 1 . . . . 292 SER CB . 7113 1 568 . 1 1 48 48 SER N N 15 123.481 0.021 . 1 . . . . 292 SER N . 7113 1 569 . 1 1 49 49 ASP H H 1 9.050 0.004 . 1 . . . . 293 ASP H . 7113 1 570 . 1 1 49 49 ASP HA H 1 4.482 0.003 . 1 . . . . 293 ASP HA . 7113 1 571 . 1 1 49 49 ASP HB2 H 1 3.041 0.005 . 2 . . . . 293 ASP HB2 . 7113 1 572 . 1 1 49 49 ASP HB3 H 1 2.825 0.004 . 2 . . . . 293 ASP HB3 . 7113 1 573 . 1 1 49 49 ASP C C 13 176.099 0.050 . 1 . . . . 293 ASP C . 7113 1 574 . 1 1 49 49 ASP CA C 13 53.668 0.033 . 1 . . . . 293 ASP CA . 7113 1 575 . 1 1 49 49 ASP CB C 13 40.100 0.058 . 1 . . . . 293 ASP CB . 7113 1 576 . 1 1 49 49 ASP N N 15 131.157 0.029 . 1 . . . . 293 ASP N . 7113 1 577 . 1 1 50 50 ASP H H 1 8.324 0.002 . 1 . . . . 294 ASP H . 7113 1 578 . 1 1 50 50 ASP HA H 1 4.167 0.000 . 1 . . . . 294 ASP HA . 7113 1 579 . 1 1 50 50 ASP HB2 H 1 2.503 0.001 . 2 . . . . 294 ASP HB2 . 7113 1 580 . 1 1 50 50 ASP HB3 H 1 2.425 0.000 . 2 . . . . 294 ASP HB3 . 7113 1 581 . 1 1 50 50 ASP C C 13 176.520 0.034 . 1 . . . . 294 ASP C . 7113 1 582 . 1 1 50 50 ASP CA C 13 57.367 0.067 . 1 . . . . 294 ASP CA . 7113 1 583 . 1 1 50 50 ASP CB C 13 40.226 0.029 . 1 . . . . 294 ASP CB . 7113 1 584 . 1 1 50 50 ASP N N 15 122.206 0.029 . 1 . . . . 294 ASP N . 7113 1 585 . 1 1 51 51 LEU H H 1 7.749 0.003 . 1 . . . . 295 LEU H . 7113 1 586 . 1 1 51 51 LEU HA H 1 4.281 0.005 . 1 . . . . 295 LEU HA . 7113 1 587 . 1 1 51 51 LEU HB2 H 1 1.234 0.006 . 1 . . . . 295 LEU HB2 . 7113 1 588 . 1 1 51 51 LEU HB3 H 1 1.367 0.005 . 1 . . . . 295 LEU HB3 . 7113 1 589 . 1 1 51 51 LEU HG H 1 1.397 0.000 . 1 . . . . 295 LEU HG . 7113 1 590 . 1 1 51 51 LEU HD11 H 1 0.711 0.000 . 2 . . . . 295 LEU QD1 . 7113 1 591 . 1 1 51 51 LEU HD12 H 1 0.711 0.000 . 2 . . . . 295 LEU QD1 . 7113 1 592 . 1 1 51 51 LEU HD13 H 1 0.711 0.000 . 2 . . . . 295 LEU QD1 . 7113 1 593 . 1 1 51 51 LEU HD21 H 1 0.661 0.029 . 2 . . . . 295 LEU QD2 . 7113 1 594 . 1 1 51 51 LEU HD22 H 1 0.661 0.029 . 2 . . . . 295 LEU QD2 . 7113 1 595 . 1 1 51 51 LEU HD23 H 1 0.661 0.029 . 2 . . . . 295 LEU QD2 . 7113 1 596 . 1 1 51 51 LEU C C 13 175.716 0.068 . 1 . . . . 295 LEU C . 7113 1 597 . 1 1 51 51 LEU CA C 13 54.407 0.064 . 1 . . . . 295 LEU CA . 7113 1 598 . 1 1 51 51 LEU CB C 13 43.849 0.049 . 1 . . . . 295 LEU CB . 7113 1 599 . 1 1 51 51 LEU CG C 13 27.253 0.000 . 1 . . . . 295 LEU CG . 7113 1 600 . 1 1 51 51 LEU CD1 C 13 25.243 0.000 . 2 . . . . 295 LEU CD1 . 7113 1 601 . 1 1 51 51 LEU CD2 C 13 23.271 0.000 . 2 . . . . 295 LEU CD2 . 7113 1 602 . 1 1 51 51 LEU N N 15 121.836 0.030 . 1 . . . . 295 LEU N . 7113 1 603 . 1 1 52 52 HIS H H 1 7.548 0.005 . 1 . . . . 296 HIS H . 7113 1 604 . 1 1 52 52 HIS HA H 1 5.091 0.003 . 1 . . . . 296 HIS HA . 7113 1 605 . 1 1 52 52 HIS HB2 H 1 2.915 0.000 . 2 . . . . 296 HIS HB2 . 7113 1 606 . 1 1 52 52 HIS HB3 H 1 2.046 0.001 . 2 . . . . 296 HIS HB3 . 7113 1 607 . 1 1 52 52 HIS HD2 H 1 6.434 0.006 . 1 . . . . 296 HIS HD2 . 7113 1 608 . 1 1 52 52 HIS HE1 H 1 8.473 0.000 . 1 . . . . 296 HIS HE1 . 7113 1 609 . 1 1 52 52 HIS C C 13 172.683 0.047 . 1 . . . . 296 HIS C . 7113 1 610 . 1 1 52 52 HIS CA C 13 54.900 0.045 . 1 . . . . 296 HIS CA . 7113 1 611 . 1 1 52 52 HIS CB C 13 28.894 0.084 . 1 . . . . 296 HIS CB . 7113 1 612 . 1 1 52 52 HIS CD2 C 13 118.784 0.000 . 1 . . . . 296 HIS CD2 . 7113 1 613 . 1 1 52 52 HIS CE1 C 13 136.21 0.000 . 1 . . . . 296 HIS CE1 . 7113 1 614 . 1 1 52 52 HIS N N 15 126.326 0.027 . 1 . . . . 296 HIS N . 7113 1 615 . 1 1 53 53 LYS H H 1 8.515 0.004 . 1 . . . . 297 LYS H . 7113 1 616 . 1 1 53 53 LYS HA H 1 4.608 0.001 . 1 . . . . 297 LYS HA . 7113 1 617 . 1 1 53 53 LYS HB2 H 1 1.526 0.001 . 1 . . . . 297 LYS HB2 . 7113 1 618 . 1 1 53 53 LYS HB3 H 1 1.359 0.003 . 1 . . . . 297 LYS HB3 . 7113 1 619 . 1 1 53 53 LYS HG2 H 1 1.140 0.000 . 1 . . . . 297 LYS QG . 7113 1 620 . 1 1 53 53 LYS HG3 H 1 1.140 0.000 . 1 . . . . 297 LYS QG . 7113 1 621 . 1 1 53 53 LYS HD2 H 1 1.503 0.000 . 1 . . . . 297 LYS HD2 . 7113 1 622 . 1 1 53 53 LYS HD3 H 1 1.354 0.003 . 1 . . . . 297 LYS HD3 . 7113 1 623 . 1 1 53 53 LYS HE2 H 1 2.765 0.000 . 2 . . . . 297 LYS HE2 . 7113 1 624 . 1 1 53 53 LYS HE3 H 1 2.688 0.000 . 2 . . . . 297 LYS HE3 . 7113 1 625 . 1 1 53 53 LYS C C 13 174.797 0.000 . 1 . . . . 297 LYS C . 7113 1 626 . 1 1 53 53 LYS CA C 13 54.303 0.041 . 1 . . . . 297 LYS CA . 7113 1 627 . 1 1 53 53 LYS CB C 13 35.705 0.024 . 1 . . . . 297 LYS CB . 7113 1 628 . 1 1 53 53 LYS CG C 13 24.905 0.000 . 1 . . . . 297 LYS CG . 7113 1 629 . 1 1 53 53 LYS CD C 13 29.128 0.057 . 1 . . . . 297 LYS CD . 7113 1 630 . 1 1 53 53 LYS CE C 13 42.584 0.003 . 1 . . . . 297 LYS CE . 7113 1 631 . 1 1 53 53 LYS N N 15 127.067 0.026 . 1 . . . . 297 LYS N . 7113 1 632 . 1 1 54 54 MET H H 1 8.379 0.002 . 1 . . . . 298 MET H . 7113 1 633 . 1 1 54 54 MET HA H 1 5.091 0.000 . 1 . . . . 298 MET HA . 7113 1 634 . 1 1 54 54 MET HB2 H 1 2.039 0.000 . 2 . . . . 298 MET HB2 . 7113 1 635 . 1 1 54 54 MET HB3 H 1 1.780 0.000 . 2 . . . . 298 MET HB3 . 7113 1 636 . 1 1 54 54 MET HG2 H 1 2.465 0.000 . 2 . . . . 298 MET HG2 . 7113 1 637 . 1 1 54 54 MET HG3 H 1 2.048 0.000 . 2 . . . . 298 MET HG3 . 7113 1 638 . 1 1 54 54 MET HE1 H 1 1.656 0.000 . 1 . . . . 298 MET QE . 7113 1 639 . 1 1 54 54 MET HE2 H 1 1.656 0.000 . 1 . . . . 298 MET QE . 7113 1 640 . 1 1 54 54 MET HE3 H 1 1.656 0.000 . 1 . . . . 298 MET QE . 7113 1 641 . 1 1 54 54 MET CA C 13 55.427 0.027 . 1 . . . . 298 MET CA . 7113 1 642 . 1 1 54 54 MET CB C 13 34.100 0.000 . 1 . . . . 298 MET CB . 7113 1 643 . 1 1 54 54 MET CG C 13 34.212 0.002 . 1 . . . . 298 MET CG . 7113 1 644 . 1 1 54 54 MET CE C 13 18.529 0.000 . 1 . . . . 298 MET CE . 7113 1 645 . 1 1 54 54 MET N N 15 128.992 0.007 . 1 . . . . 298 MET N . 7113 1 646 . 1 1 55 55 ILE H H 1 8.279 0.000 . 1 . . . . 299 ILE H . 7113 1 647 . 1 1 55 55 ILE HA H 1 4.602 0.000 . 1 . . . . 299 ILE HA . 7113 1 648 . 1 1 55 55 ILE HB H 1 1.611 0.000 . 1 . . . . 299 ILE HB . 7113 1 649 . 1 1 55 55 ILE HG12 H 1 1.159 0.000 . 2 . . . . 299 ILE HG12 . 7113 1 650 . 1 1 55 55 ILE HG13 H 1 0.716 0.000 . 2 . . . . 299 ILE HG13 . 7113 1 651 . 1 1 55 55 ILE HG21 H 1 0.627 0.000 . 1 . . . . 299 ILE HG2 . 7113 1 652 . 1 1 55 55 ILE HG22 H 1 0.627 0.000 . 1 . . . . 299 ILE HG2 . 7113 1 653 . 1 1 55 55 ILE HG23 H 1 0.627 0.000 . 1 . . . . 299 ILE HG2 . 7113 1 654 . 1 1 55 55 ILE HD11 H 1 0.559 0.000 . 1 . . . . 299 ILE QD1 . 7113 1 655 . 1 1 55 55 ILE HD12 H 1 0.559 0.000 . 1 . . . . 299 ILE QD1 . 7113 1 656 . 1 1 55 55 ILE HD13 H 1 0.559 0.000 . 1 . . . . 299 ILE QD1 . 7113 1 657 . 1 1 55 55 ILE CA C 13 59.130 0.000 . 1 . . . . 299 ILE CA . 7113 1 658 . 1 1 55 55 ILE CB C 13 42.747 0.000 . 1 . . . . 299 ILE CB . 7113 1 659 . 1 1 55 55 ILE CG1 C 13 26.575 0.004 . 1 . . . . 299 ILE CG1 . 7113 1 660 . 1 1 55 55 ILE CG2 C 13 17.808 0.000 . 1 . . . . 299 ILE CG2 . 7113 1 661 . 1 1 55 55 ILE CD1 C 13 13.565 0.000 . 1 . . . . 299 ILE CD1 . 7113 1 662 . 1 1 56 56 VAL H H 1 9.227 0.000 . 1 . . . . 300 VAL H . 7113 1 663 . 1 1 56 56 VAL HA H 1 4.912 0.000 . 1 . . . . 300 VAL HA . 7113 1 664 . 1 1 56 56 VAL HB H 1 1.712 0.000 . 1 . . . . 300 VAL HB . 7113 1 665 . 1 1 56 56 VAL HG11 H 1 0.465 0.000 . 2 . . . . 300 VAL QG1 . 7113 1 666 . 1 1 56 56 VAL HG12 H 1 0.465 0.000 . 2 . . . . 300 VAL QG1 . 7113 1 667 . 1 1 56 56 VAL HG13 H 1 0.465 0.000 . 2 . . . . 300 VAL QG1 . 7113 1 668 . 1 1 56 56 VAL HG21 H 1 0.213 0.000 . 2 . . . . 300 VAL QG2 . 7113 1 669 . 1 1 56 56 VAL HG22 H 1 0.213 0.000 . 2 . . . . 300 VAL QG2 . 7113 1 670 . 1 1 56 56 VAL HG23 H 1 0.213 0.000 . 2 . . . . 300 VAL QG2 . 7113 1 671 . 1 1 56 56 VAL CA C 13 59.226 0.000 . 1 . . . . 300 VAL CA . 7113 1 672 . 1 1 56 56 VAL CB C 13 36.406 0.000 . 1 . . . . 300 VAL CB . 7113 1 673 . 1 1 56 56 VAL CG1 C 13 19.729 0.000 . 2 . . . . 300 VAL CG1 . 7113 1 674 . 1 1 56 56 VAL CG2 C 13 21.121 0.000 . 2 . . . . 300 VAL CG2 . 7113 1 675 . 1 1 57 57 SER H H 1 8.794 0.000 . 1 . . . . 301 SER H . 7113 1 676 . 1 1 57 57 SER HA H 1 4.575 0.005 . 1 . . . . 301 SER HA . 7113 1 677 . 1 1 57 57 SER HB2 H 1 3.982 0.008 . 2 . . . . 301 SER HB2 . 7113 1 678 . 1 1 57 57 SER HB3 H 1 3.718 0.004 . 2 . . . . 301 SER HB3 . 7113 1 679 . 1 1 57 57 SER CA C 13 56.558 0.001 . 1 . . . . 301 SER CA . 7113 1 680 . 1 1 57 57 SER CB C 13 65.617 0.001 . 1 . . . . 301 SER CB . 7113 1 681 . 1 1 57 57 SER N N 15 128.893 0.000 . 1 . . . . 301 SER N . 7113 1 682 . 1 1 58 58 GLU HA H 1 4.013 0.000 . 1 . . . . 302 GLU HA . 7113 1 683 . 1 1 58 58 GLU HB2 H 1 1.935 0.000 . 2 . . . . 302 GLU HB2 . 7113 1 684 . 1 1 58 58 GLU HB3 H 1 1.900 0.000 . 2 . . . . 302 GLU HB3 . 7113 1 685 . 1 1 58 58 GLU HG2 H 1 2.141 0.000 . 1 . . . . 302 GLU QG . 7113 1 686 . 1 1 58 58 GLU HG3 H 1 2.141 0.000 . 1 . . . . 302 GLU QG . 7113 1 687 . 1 1 58 58 GLU CA C 13 58.165 0.000 . 1 . . . . 302 GLU CA . 7113 1 688 . 1 1 58 58 GLU CB C 13 29.508 0.002 . 1 . . . . 302 GLU CB . 7113 1 689 . 1 1 58 58 GLU CG C 13 36.233 0.000 . 1 . . . . 302 GLU CG . 7113 1 690 . 1 1 59 59 LYS HA H 1 4.114 0.002 . 1 . . . . 303 LYS HA . 7113 1 691 . 1 1 59 59 LYS HB2 H 1 1.866 0.005 . 2 . . . . 303 LYS HB2 . 7113 1 692 . 1 1 59 59 LYS HB3 H 1 1.470 0.001 . 2 . . . . 303 LYS HB3 . 7113 1 693 . 1 1 59 59 LYS HG2 H 1 1.262 0.000 . 2 . . . . 303 LYS HG2 . 7113 1 694 . 1 1 59 59 LYS HG3 H 1 1.188 0.000 . 2 . . . . 303 LYS HG3 . 7113 1 695 . 1 1 59 59 LYS HD2 H 1 1.495 0.000 . 2 . . . . 303 LYS HD2 . 7113 1 696 . 1 1 59 59 LYS HD3 H 1 1.450 0.000 . 2 . . . . 303 LYS HD3 . 7113 1 697 . 1 1 59 59 LYS HE2 H 1 2.800 0.000 . 1 . . . . 303 LYS QE . 7113 1 698 . 1 1 59 59 LYS HE3 H 1 2.800 0.000 . 1 . . . . 303 LYS QE . 7113 1 699 . 1 1 59 59 LYS C C 13 176.755 0.000 . 1 . . . . 303 LYS C . 7113 1 700 . 1 1 59 59 LYS CA C 13 55.913 0.027 . 1 . . . . 303 LYS CA . 7113 1 701 . 1 1 59 59 LYS CB C 13 31.679 0.048 . 1 . . . . 303 LYS CB . 7113 1 702 . 1 1 59 59 LYS CG C 13 25.404 0.064 . 1 . . . . 303 LYS CG . 7113 1 703 . 1 1 59 59 LYS CD C 13 28.933 0.002 . 1 . . . . 303 LYS CD . 7113 1 704 . 1 1 59 59 LYS CE C 13 42.165 0.000 . 1 . . . . 303 LYS CE . 7113 1 705 . 1 1 60 60 GLY H H 1 7.813 0.009 . 1 . . . . 304 GLY H . 7113 1 706 . 1 1 60 60 GLY HA2 H 1 4.037 0.004 . 2 . . . . 304 GLY HA2 . 7113 1 707 . 1 1 60 60 GLY HA3 H 1 3.411 0.008 . 2 . . . . 304 GLY HA3 . 7113 1 708 . 1 1 60 60 GLY C C 13 173.480 0.052 . 1 . . . . 304 GLY C . 7113 1 709 . 1 1 60 60 GLY CA C 13 45.955 0.041 . 1 . . . . 304 GLY CA . 7113 1 710 . 1 1 60 60 GLY N N 15 113.597 0.029 . 1 . . . . 304 GLY N . 7113 1 711 . 1 1 61 61 LEU H H 1 7.253 0.004 . 1 . . . . 305 LEU H . 7113 1 712 . 1 1 61 61 LEU HA H 1 4.396 0.002 . 1 . . . . 305 LEU HA . 7113 1 713 . 1 1 61 61 LEU HB2 H 1 1.626 0.001 . 2 . . . . 305 LEU HB2 . 7113 1 714 . 1 1 61 61 LEU HB3 H 1 1.034 0.005 . 2 . . . . 305 LEU HB3 . 7113 1 715 . 1 1 61 61 LEU HG H 1 1.203 0.002 . 1 . . . . 305 LEU HG . 7113 1 716 . 1 1 61 61 LEU HD11 H 1 0.631 0.000 . 2 . . . . 305 LEU QD1 . 7113 1 717 . 1 1 61 61 LEU HD12 H 1 0.631 0.000 . 2 . . . . 305 LEU QD1 . 7113 1 718 . 1 1 61 61 LEU HD13 H 1 0.631 0.000 . 2 . . . . 305 LEU QD1 . 7113 1 719 . 1 1 61 61 LEU HD21 H 1 0.574 0.000 . 2 . . . . 305 LEU QD2 . 7113 1 720 . 1 1 61 61 LEU HD22 H 1 0.574 0.000 . 2 . . . . 305 LEU QD2 . 7113 1 721 . 1 1 61 61 LEU HD23 H 1 0.574 0.000 . 2 . . . . 305 LEU QD2 . 7113 1 722 . 1 1 61 61 LEU CA C 13 54.825 0.031 . 1 . . . . 305 LEU CA . 7113 1 723 . 1 1 61 61 LEU CB C 13 43.099 0.055 . 1 . . . . 305 LEU CB . 7113 1 724 . 1 1 61 61 LEU CG C 13 26.880 0.036 . 1 . . . . 305 LEU CG . 7113 1 725 . 1 1 61 61 LEU CD1 C 13 24.039 0.000 . 2 . . . . 305 LEU CD1 . 7113 1 726 . 1 1 61 61 LEU CD2 C 13 25.371 0.000 . 2 . . . . 305 LEU CD2 . 7113 1 727 . 1 1 61 61 LEU N N 15 128.081 0.022 . 1 . . . . 305 LEU N . 7113 1 728 . 1 1 62 62 HIS H H 1 8.294 0.000 . 1 . . . . 306 HIS H . 7113 1 729 . 1 1 62 62 HIS HD2 H 1 6.441 0.000 . 1 . . . . 306 HIS HD2 . 7113 1 730 . 1 1 62 62 HIS HE1 H 1 7.651 0.000 . 1 . . . . 306 HIS HE1 . 7113 1 731 . 1 1 62 62 HIS CD2 C 13 118.78 0.000 . 1 . . . . 306 HIS CD2 . 7113 1 732 . 1 1 62 62 HIS CE1 C 13 137.28 0.000 . 1 . . . . 306 HIS CE1 . 7113 1 733 . 1 1 62 62 HIS N N 15 130.344 0.000 . 1 . . . . 306 HIS N . 7113 1 734 . 1 1 63 63 SER HA H 1 5.980 0.000 . 1 . . . . 307 SER HA . 7113 1 735 . 1 1 63 63 SER HB2 H 1 3.544 0.000 . 2 . . . . 307 SER HB2 . 7113 1 736 . 1 1 63 63 SER HB3 H 1 3.034 0.000 . 2 . . . . 307 SER HB3 . 7113 1 737 . 1 1 63 63 SER CA C 13 57.517 0.000 . 1 . . . . 307 SER CA . 7113 1 738 . 1 1 63 63 SER CB C 13 66.760 0.000 . 1 . . . . 307 SER CB . 7113 1 739 . 1 1 64 64 LEU H H 1 8.827 0.000 . 1 . . . . 308 LEU H . 7113 1 740 . 1 1 64 64 LEU HA H 1 4.657 0.000 . 1 . . . . 308 LEU HA . 7113 1 741 . 1 1 64 64 LEU HB2 H 1 0.969 0.002 . 2 . . . . 308 LEU HB2 . 7113 1 742 . 1 1 64 64 LEU HB3 H 1 0.186 0.000 . 2 . . . . 308 LEU HB3 . 7113 1 743 . 1 1 64 64 LEU HG H 1 0.202 0.000 . 1 . . . . 308 LEU HG . 7113 1 744 . 1 1 64 64 LEU HD11 H 1 -0.283 0.000 . 2 . . . . 308 LEU QD1 . 7113 1 745 . 1 1 64 64 LEU HD12 H 1 -0.283 0.000 . 2 . . . . 308 LEU QD1 . 7113 1 746 . 1 1 64 64 LEU HD13 H 1 -0.283 0.000 . 2 . . . . 308 LEU QD1 . 7113 1 747 . 1 1 64 64 LEU HD21 H 1 -0.820 0.000 . 2 . . . . 308 LEU QD2 . 7113 1 748 . 1 1 64 64 LEU HD22 H 1 -0.820 0.000 . 2 . . . . 308 LEU QD2 . 7113 1 749 . 1 1 64 64 LEU HD23 H 1 -0.820 0.000 . 2 . . . . 308 LEU QD2 . 7113 1 750 . 1 1 64 64 LEU C C 13 174.337 0.000 . 1 . . . . 308 LEU C . 7113 1 751 . 1 1 64 64 LEU CA C 13 54.386 0.091 . 1 . . . . 308 LEU CA . 7113 1 752 . 1 1 64 64 LEU CB C 13 42.678 0.006 . 1 . . . . 308 LEU CB . 7113 1 753 . 1 1 64 64 LEU CG C 13 26.225 0.000 . 1 . . . . 308 LEU CG . 7113 1 754 . 1 1 64 64 LEU CD1 C 13 22.367 0.000 . 2 . . . . 308 LEU CD1 . 7113 1 755 . 1 1 64 64 LEU CD2 C 13 24.668 0.000 . 2 . . . . 308 LEU CD2 . 7113 1 756 . 1 1 65 65 ILE H H 1 9.009 0.002 . 1 . . . . 309 ILE H . 7113 1 757 . 1 1 65 65 ILE HA H 1 3.880 0.001 . 1 . . . . 309 ILE HA . 7113 1 758 . 1 1 65 65 ILE HB H 1 1.408 0.003 . 1 . . . . 309 ILE HB . 7113 1 759 . 1 1 65 65 ILE HG12 H 1 1.137 0.002 . 2 . . . . 309 ILE HG12 . 7113 1 760 . 1 1 65 65 ILE HG13 H 1 0.710 0.003 . 2 . . . . 309 ILE HG13 . 7113 1 761 . 1 1 65 65 ILE HG21 H 1 0.484 0.002 . 1 . . . . 309 ILE HG2 . 7113 1 762 . 1 1 65 65 ILE HG22 H 1 0.484 0.002 . 1 . . . . 309 ILE HG2 . 7113 1 763 . 1 1 65 65 ILE HG23 H 1 0.484 0.002 . 1 . . . . 309 ILE HG2 . 7113 1 764 . 1 1 65 65 ILE HD11 H 1 0.612 0.000 . 1 . . . . 309 ILE QD1 . 7113 1 765 . 1 1 65 65 ILE HD12 H 1 0.612 0.000 . 1 . . . . 309 ILE QD1 . 7113 1 766 . 1 1 65 65 ILE HD13 H 1 0.612 0.000 . 1 . . . . 309 ILE QD1 . 7113 1 767 . 1 1 65 65 ILE C C 13 173.963 0.012 . 1 . . . . 309 ILE C . 7113 1 768 . 1 1 65 65 ILE CA C 13 60.296 0.035 . 1 . . . . 309 ILE CA . 7113 1 769 . 1 1 65 65 ILE CB C 13 40.727 0.071 . 1 . . . . 309 ILE CB . 7113 1 770 . 1 1 65 65 ILE CG1 C 13 28.094 0.019 . 1 . . . . 309 ILE CG1 . 7113 1 771 . 1 1 65 65 ILE CG2 C 13 18.084 0.000 . 1 . . . . 309 ILE CG2 . 7113 1 772 . 1 1 65 65 ILE CD1 C 13 13.168 0.000 . 1 . . . . 309 ILE CD1 . 7113 1 773 . 1 1 65 65 ILE N N 15 133.046 0.031 . 1 . . . . 309 ILE N . 7113 1 774 . 1 1 66 66 PHE H H 1 8.508 0.006 . 1 . . . . 310 PHE H . 7113 1 775 . 1 1 66 66 PHE HA H 1 4.367 0.004 . 1 . . . . 310 PHE HA . 7113 1 776 . 1 1 66 66 PHE HB2 H 1 2.768 0.003 . 1 . . . . 310 PHE HB2 . 7113 1 777 . 1 1 66 66 PHE HB3 H 1 2.202 0.001 . 1 . . . . 310 PHE HB3 . 7113 1 778 . 1 1 66 66 PHE HD1 H 1 6.614 0.003 . 3 . . . . 310 PHE QD . 7113 1 779 . 1 1 66 66 PHE HD2 H 1 6.614 0.003 . 3 . . . . 310 PHE QD . 7113 1 780 . 1 1 66 66 PHE HE1 H 1 6.617 0.000 . 3 . . . . 310 PHE QE . 7113 1 781 . 1 1 66 66 PHE HE2 H 1 6.617 0.000 . 3 . . . . 310 PHE QE . 7113 1 782 . 1 1 66 66 PHE HZ H 1 6.256 0.001 . 1 . . . . 310 PHE HZ . 7113 1 783 . 1 1 66 66 PHE C C 13 174.555 0.044 . 1 . . . . 310 PHE C . 7113 1 784 . 1 1 66 66 PHE CA C 13 54.878 0.037 . 1 . . . . 310 PHE CA . 7113 1 785 . 1 1 66 66 PHE CB C 13 38.819 0.075 . 1 . . . . 310 PHE CB . 7113 1 786 . 1 1 66 66 PHE CD1 C 13 131.859 0.000 . 3 . . . . 310 PHE CD1 . 7113 1 787 . 1 1 66 66 PHE CE1 C 13 131.859 0.000 . 3 . . . . 310 PHE CE1 . 7113 1 788 . 1 1 66 66 PHE CZ C 13 129.58 0.020 . 1 . . . . 310 PHE CZ . 7113 1 789 . 1 1 66 66 PHE N N 15 132.294 0.039 . 1 . . . . 310 PHE N . 7113 1 790 . 1 1 67 67 GLU H H 1 7.879 0.008 . 1 . . . . 311 GLU H . 7113 1 791 . 1 1 67 67 GLU HA H 1 4.025 0.001 . 1 . . . . 311 GLU HA . 7113 1 792 . 1 1 67 67 GLU HB2 H 1 1.564 0.001 . 1 . . . . 311 GLU HB2 . 7113 1 793 . 1 1 67 67 GLU HB3 H 1 2.014 0.005 . 1 . . . . 311 GLU HB3 . 7113 1 794 . 1 1 67 67 GLU HG2 H 1 1.901 0.001 . 1 . . . . 311 GLU HG2 . 7113 1 795 . 1 1 67 67 GLU HG3 H 1 2.236 0.000 . 1 . . . . 311 GLU HG3 . 7113 1 796 . 1 1 67 67 GLU C C 13 177.819 0.048 . 1 . . . . 311 GLU C . 7113 1 797 . 1 1 67 67 GLU CA C 13 59.266 0.034 . 1 . . . . 311 GLU CA . 7113 1 798 . 1 1 67 67 GLU CB C 13 30.421 0.033 . 1 . . . . 311 GLU CB . 7113 1 799 . 1 1 67 67 GLU CG C 13 35.212 0.079 . 1 . . . . 311 GLU CG . 7113 1 800 . 1 1 67 67 GLU N N 15 127.092 0.034 . 1 . . . . 311 GLU N . 7113 1 801 . 1 1 68 68 VAL H H 1 7.428 0.007 . 1 . . . . 312 VAL H . 7113 1 802 . 1 1 68 68 VAL HA H 1 3.402 0.005 . 1 . . . . 312 VAL HA . 7113 1 803 . 1 1 68 68 VAL HB H 1 1.781 0.003 . 1 . . . . 312 VAL HB . 7113 1 804 . 1 1 68 68 VAL HG11 H 1 0.634 0.000 . 2 . . . . 312 VAL QG1 . 7113 1 805 . 1 1 68 68 VAL HG12 H 1 0.634 0.000 . 2 . . . . 312 VAL QG1 . 7113 1 806 . 1 1 68 68 VAL HG13 H 1 0.634 0.000 . 2 . . . . 312 VAL QG1 . 7113 1 807 . 1 1 68 68 VAL HG21 H 1 0.651 0.000 . 2 . . . . 312 VAL QG2 . 7113 1 808 . 1 1 68 68 VAL HG22 H 1 0.651 0.000 . 2 . . . . 312 VAL QG2 . 7113 1 809 . 1 1 68 68 VAL HG23 H 1 0.651 0.000 . 2 . . . . 312 VAL QG2 . 7113 1 810 . 1 1 68 68 VAL C C 13 173.921 0.024 . 1 . . . . 312 VAL C . 7113 1 811 . 1 1 68 68 VAL CA C 13 61.444 0.067 . 1 . . . . 312 VAL CA . 7113 1 812 . 1 1 68 68 VAL CB C 13 34.790 0.069 . 1 . . . . 312 VAL CB . 7113 1 813 . 1 1 68 68 VAL CG1 C 13 21.393 0.042 . 2 . . . . 312 VAL CG1 . 7113 1 814 . 1 1 68 68 VAL CG2 C 13 20.610 0.065 . 2 . . . . 312 VAL CG2 . 7113 1 815 . 1 1 68 68 VAL N N 15 120.315 0.031 . 1 . . . . 312 VAL N . 7113 1 816 . 1 1 69 69 VAL H H 1 8.233 0.003 . 1 . . . . 313 VAL H . 7113 1 817 . 1 1 69 69 VAL HA H 1 3.829 0.002 . 1 . . . . 313 VAL HA . 7113 1 818 . 1 1 69 69 VAL HB H 1 1.613 0.002 . 1 . . . . 313 VAL HB . 7113 1 819 . 1 1 69 69 VAL HG11 H 1 0.527 0.000 . 1 . . . . 313 VAL QG1 . 7113 1 820 . 1 1 69 69 VAL HG12 H 1 0.527 0.000 . 1 . . . . 313 VAL QG1 . 7113 1 821 . 1 1 69 69 VAL HG13 H 1 0.527 0.000 . 1 . . . . 313 VAL QG1 . 7113 1 822 . 1 1 69 69 VAL HG21 H 1 0.503 0.000 . 1 . . . . 313 VAL QG2 . 7113 1 823 . 1 1 69 69 VAL HG22 H 1 0.503 0.000 . 1 . . . . 313 VAL QG2 . 7113 1 824 . 1 1 69 69 VAL HG23 H 1 0.503 0.000 . 1 . . . . 313 VAL QG2 . 7113 1 825 . 1 1 69 69 VAL C C 13 175.123 0.051 . 1 . . . . 313 VAL C . 7113 1 826 . 1 1 69 69 VAL CA C 13 63.200 0.064 . 1 . . . . 313 VAL CA . 7113 1 827 . 1 1 69 69 VAL CB C 13 32.836 0.044 . 1 . . . . 313 VAL CB . 7113 1 828 . 1 1 69 69 VAL CG1 C 13 23.456 0.000 . 1 . . . . 313 VAL CG1 . 7113 1 829 . 1 1 69 69 VAL CG2 C 13 24.042 0.000 . 1 . . . . 313 VAL CG2 . 7113 1 830 . 1 1 69 69 VAL N N 15 132.928 0.037 . 1 . . . . 313 VAL N . 7113 1 831 . 1 1 70 70 ARG H H 1 9.259 0.004 . 1 . . . . 314 ARG H . 7113 1 832 . 1 1 70 70 ARG HA H 1 4.776 0.005 . 1 . . . . 314 ARG HA . 7113 1 833 . 1 1 70 70 ARG HB2 H 1 1.895 0.003 . 1 . . . . 314 ARG HB2 . 7113 1 834 . 1 1 70 70 ARG HB3 H 1 1.567 0.004 . 1 . . . . 314 ARG HB3 . 7113 1 835 . 1 1 70 70 ARG HG2 H 1 1.604 0.000 . 1 . . . . 314 ARG HG2 . 7113 1 836 . 1 1 70 70 ARG HG3 H 1 1.563 0.000 . 1 . . . . 314 ARG HG3 . 7113 1 837 . 1 1 70 70 ARG HD2 H 1 3.005 0.000 . 1 . . . . 314 ARG HD2 . 7113 1 838 . 1 1 70 70 ARG HD3 H 1 3.074 0.000 . 1 . . . . 314 ARG HD3 . 7113 1 839 . 1 1 70 70 ARG C C 13 177.491 0.048 . 1 . . . . 314 ARG C . 7113 1 840 . 1 1 70 70 ARG CA C 13 53.728 0.036 . 1 . . . . 314 ARG CA . 7113 1 841 . 1 1 70 70 ARG CB C 13 34.282 0.060 . 1 . . . . 314 ARG CB . 7113 1 842 . 1 1 70 70 ARG CG C 13 26.707 0.067 . 1 . . . . 314 ARG CG . 7113 1 843 . 1 1 70 70 ARG CD C 13 43.484 0.070 . 1 . . . . 314 ARG CD . 7113 1 844 . 1 1 70 70 ARG N N 15 133.209 0.038 . 1 . . . . 314 ARG N . 7113 1 845 . 1 1 71 71 ALA H H 1 9.059 0.003 . 1 . . . . 315 ALA H . 7113 1 846 . 1 1 71 71 ALA HA H 1 3.676 0.004 . 1 . . . . 315 ALA HA . 7113 1 847 . 1 1 71 71 ALA HB1 H 1 1.286 0.002 . 1 . . . . 315 ALA QB . 7113 1 848 . 1 1 71 71 ALA HB2 H 1 1.286 0.002 . 1 . . . . 315 ALA QB . 7113 1 849 . 1 1 71 71 ALA HB3 H 1 1.286 0.002 . 1 . . . . 315 ALA QB . 7113 1 850 . 1 1 71 71 ALA C C 13 180.122 0.040 . 1 . . . . 315 ALA C . 7113 1 851 . 1 1 71 71 ALA CA C 13 56.356 0.036 . 1 . . . . 315 ALA CA . 7113 1 852 . 1 1 71 71 ALA CB C 13 17.923 0.068 . 1 . . . . 315 ALA CB . 7113 1 853 . 1 1 71 71 ALA N N 15 131.839 0.026 . 1 . . . . 315 ALA N . 7113 1 854 . 1 1 72 72 SER H H 1 7.735 0.003 . 1 . . . . 316 SER H . 7113 1 855 . 1 1 72 72 SER HA H 1 4.046 0.001 . 1 . . . . 316 SER HA . 7113 1 856 . 1 1 72 72 SER HB2 H 1 3.914 0.002 . 2 . . . . 316 SER HB2 . 7113 1 857 . 1 1 72 72 SER HB3 H 1 3.639 0.005 . 2 . . . . 316 SER HB3 . 7113 1 858 . 1 1 72 72 SER C C 13 175.495 0.042 . 1 . . . . 316 SER C . 7113 1 859 . 1 1 72 72 SER CA C 13 60.037 0.039 . 1 . . . . 316 SER CA . 7113 1 860 . 1 1 72 72 SER CB C 13 62.381 0.022 . 1 . . . . 316 SER CB . 7113 1 861 . 1 1 72 72 SER N N 15 115.841 0.034 . 1 . . . . 316 SER N . 7113 1 862 . 1 1 73 73 ASP H H 1 8.175 0.003 . 1 . . . . 317 ASP H . 7113 1 863 . 1 1 73 73 ASP HA H 1 4.644 0.001 . 1 . . . . 317 ASP HA . 7113 1 864 . 1 1 73 73 ASP HB2 H 1 2.696 0.008 . 2 . . . . 317 ASP HB2 . 7113 1 865 . 1 1 73 73 ASP HB3 H 1 2.607 0.010 . 2 . . . . 317 ASP HB3 . 7113 1 866 . 1 1 73 73 ASP C C 13 176.176 0.043 . 1 . . . . 317 ASP C . 7113 1 867 . 1 1 73 73 ASP CA C 13 55.305 0.045 . 1 . . . . 317 ASP CA . 7113 1 868 . 1 1 73 73 ASP CB C 13 42.572 0.038 . 1 . . . . 317 ASP CB . 7113 1 869 . 1 1 73 73 ASP N N 15 126.327 0.028 . 1 . . . . 317 ASP N . 7113 1 870 . 1 1 74 74 ALA H H 1 7.339 0.002 . 1 . . . . 318 ALA H . 7113 1 871 . 1 1 74 74 ALA HA H 1 4.013 0.000 . 1 . . . . 318 ALA HA . 7113 1 872 . 1 1 74 74 ALA HB1 H 1 1.427 0.001 . 1 . . . . 318 ALA QB . 7113 1 873 . 1 1 74 74 ALA HB2 H 1 1.427 0.001 . 1 . . . . 318 ALA QB . 7113 1 874 . 1 1 74 74 ALA HB3 H 1 1.427 0.001 . 1 . . . . 318 ALA QB . 7113 1 875 . 1 1 74 74 ALA C C 13 176.813 0.034 . 1 . . . . 318 ALA C . 7113 1 876 . 1 1 74 74 ALA CA C 13 53.570 0.037 . 1 . . . . 318 ALA CA . 7113 1 877 . 1 1 74 74 ALA CB C 13 20.548 0.085 . 1 . . . . 318 ALA CB . 7113 1 878 . 1 1 74 74 ALA N N 15 127.859 0.030 . 1 . . . . 318 ALA N . 7113 1 879 . 1 1 75 75 GLY H H 1 8.797 0.003 . 1 . . . . 319 GLY H . 7113 1 880 . 1 1 75 75 GLY HA2 H 1 3.599 0.001 . 1 . . . . 319 GLY HA2 . 7113 1 881 . 1 1 75 75 GLY HA3 H 1 4.239 0.008 . 1 . . . . 319 GLY HA3 . 7113 1 882 . 1 1 75 75 GLY C C 13 170.102 0.045 . 1 . . . . 319 GLY C . 7113 1 883 . 1 1 75 75 GLY CA C 13 45.105 0.041 . 1 . . . . 319 GLY CA . 7113 1 884 . 1 1 75 75 GLY N N 15 114.261 0.037 . 1 . . . . 319 GLY N . 7113 1 885 . 1 1 76 76 ALA H H 1 7.621 0.003 . 1 . . . . 320 ALA H . 7113 1 886 . 1 1 76 76 ALA HA H 1 4.521 0.001 . 1 . . . . 320 ALA HA . 7113 1 887 . 1 1 76 76 ALA HB1 H 1 1.143 0.003 . 1 . . . . 320 ALA QB . 7113 1 888 . 1 1 76 76 ALA HB2 H 1 1.143 0.003 . 1 . . . . 320 ALA QB . 7113 1 889 . 1 1 76 76 ALA HB3 H 1 1.143 0.003 . 1 . . . . 320 ALA QB . 7113 1 890 . 1 1 76 76 ALA C C 13 176.291 0.052 . 1 . . . . 320 ALA C . 7113 1 891 . 1 1 76 76 ALA CA C 13 51.158 0.036 . 1 . . . . 320 ALA CA . 7113 1 892 . 1 1 76 76 ALA CB C 13 19.242 0.051 . 1 . . . . 320 ALA CB . 7113 1 893 . 1 1 76 76 ALA N N 15 129.042 0.021 . 1 . . . . 320 ALA N . 7113 1 894 . 1 1 77 77 TYR H H 1 9.406 0.004 . 1 . . . . 321 TYR H . 7113 1 895 . 1 1 77 77 TYR HA H 1 5.237 0.000 . 1 . . . . 321 TYR HA . 7113 1 896 . 1 1 77 77 TYR HB2 H 1 3.229 0.000 . 1 . . . . 321 TYR HB2 . 7113 1 897 . 1 1 77 77 TYR HB3 H 1 2.835 0.000 . 1 . . . . 321 TYR HB3 . 7113 1 898 . 1 1 77 77 TYR HD1 H 1 6.893 0.000 . 3 . . . . 321 TYR QD . 7113 1 899 . 1 1 77 77 TYR HD2 H 1 6.893 0.000 . 3 . . . . 321 TYR QD . 7113 1 900 . 1 1 77 77 TYR HE1 H 1 6.584 0.000 . 3 . . . . 321 TYR QE . 7113 1 901 . 1 1 77 77 TYR HE2 H 1 6.584 0.000 . 3 . . . . 321 TYR QE . 7113 1 902 . 1 1 77 77 TYR HH H 1 10.53 0.000 . 1 . . . . 321 TYR HH . 7113 1 903 . 1 1 77 77 TYR C C 13 175.676 0.000 . 1 . . . . 321 TYR C . 7113 1 904 . 1 1 77 77 TYR CA C 13 57.779 0.022 . 1 . . . . 321 TYR CA . 7113 1 905 . 1 1 77 77 TYR CB C 13 40.623 0.064 . 1 . . . . 321 TYR CB . 7113 1 906 . 1 1 77 77 TYR CD1 C 13 132.506 0.000 . 3 . . . . 321 TYR CD1 . 7113 1 907 . 1 1 77 77 TYR CE1 C 13 118.212 0.000 . 3 . . . . 321 TYR CE1 . 7113 1 908 . 1 1 77 77 TYR N N 15 132.635 0.023 . 1 . . . . 321 TYR N . 7113 1 909 . 1 1 78 78 ALA H H 1 9.084 0.000 . 1 . . . . 322 ALA H . 7113 1 910 . 1 1 78 78 ALA HA H 1 5.031 0.000 . 1 . . . . 322 ALA HA . 7113 1 911 . 1 1 78 78 ALA HB1 H 1 0.972 0.000 . 1 . . . . 322 ALA QB . 7113 1 912 . 1 1 78 78 ALA HB2 H 1 0.972 0.000 . 1 . . . . 322 ALA QB . 7113 1 913 . 1 1 78 78 ALA HB3 H 1 0.972 0.000 . 1 . . . . 322 ALA QB . 7113 1 914 . 1 1 78 78 ALA CA C 13 50.120 0.000 . 1 . . . . 322 ALA CA . 7113 1 915 . 1 1 78 78 ALA CB C 13 21.653 0.000 . 1 . . . . 322 ALA CB . 7113 1 916 . 1 1 78 78 ALA N N 15 130.291 0.000 . 1 . . . . 322 ALA N . 7113 1 917 . 1 1 79 79 CYS H H 1 7.932 0.000 . 1 . . . . 323 CYS H . 7113 1 918 . 1 1 79 79 CYS HA H 1 4.037 0.000 . 1 . . . . 323 CYS HA . 7113 1 919 . 1 1 79 79 CYS C C 13 173.727 0.000 . 1 . . . . 323 CYS C . 7113 1 920 . 1 1 79 79 CYS CA C 13 56.345 0.065 . 1 . . . . 323 CYS CA . 7113 1 921 . 1 1 80 80 VAL H H 1 8.671 0.002 . 1 . . . . 324 VAL H . 7113 1 922 . 1 1 80 80 VAL HA H 1 4.596 0.000 . 1 . . . . 324 VAL HA . 7113 1 923 . 1 1 80 80 VAL HB H 1 1.766 0.005 . 1 . . . . 324 VAL HB . 7113 1 924 . 1 1 80 80 VAL HG11 H 1 0.593 0.004 . 2 . . . . 324 VAL QG1 . 7113 1 925 . 1 1 80 80 VAL HG12 H 1 0.593 0.004 . 2 . . . . 324 VAL QG1 . 7113 1 926 . 1 1 80 80 VAL HG13 H 1 0.593 0.004 . 2 . . . . 324 VAL QG1 . 7113 1 927 . 1 1 80 80 VAL HG21 H 1 0.450 0.000 . 2 . . . . 324 VAL QG2 . 7113 1 928 . 1 1 80 80 VAL HG22 H 1 0.450 0.000 . 2 . . . . 324 VAL QG2 . 7113 1 929 . 1 1 80 80 VAL HG23 H 1 0.450 0.000 . 2 . . . . 324 VAL QG2 . 7113 1 930 . 1 1 80 80 VAL C C 13 174.904 0.057 . 1 . . . . 324 VAL C . 7113 1 931 . 1 1 80 80 VAL CA C 13 60.907 0.063 . 1 . . . . 324 VAL CA . 7113 1 932 . 1 1 80 80 VAL CB C 13 34.334 0.001 . 1 . . . . 324 VAL CB . 7113 1 933 . 1 1 80 80 VAL CG1 C 13 20.784 0.000 . 2 . . . . 324 VAL CG1 . 7113 1 934 . 1 1 80 80 VAL N N 15 135.079 0.028 . 1 . . . . 324 VAL N . 7113 1 935 . 1 1 81 81 ALA H H 1 9.107 0.003 . 1 . . . . 325 ALA H . 7113 1 936 . 1 1 81 81 ALA HA H 1 5.220 0.003 . 1 . . . . 325 ALA HA . 7113 1 937 . 1 1 81 81 ALA HB1 H 1 0.633 0.001 . 1 . . . . 325 ALA QB . 7113 1 938 . 1 1 81 81 ALA HB2 H 1 0.633 0.001 . 1 . . . . 325 ALA QB . 7113 1 939 . 1 1 81 81 ALA HB3 H 1 0.633 0.001 . 1 . . . . 325 ALA QB . 7113 1 940 . 1 1 81 81 ALA C C 13 175.446 0.043 . 1 . . . . 325 ALA C . 7113 1 941 . 1 1 81 81 ALA CA C 13 49.197 0.059 . 1 . . . . 325 ALA CA . 7113 1 942 . 1 1 81 81 ALA CB C 13 22.479 0.061 . 1 . . . . 325 ALA CB . 7113 1 943 . 1 1 81 81 ALA N N 15 136.369 0.035 . 1 . . . . 325 ALA N . 7113 1 944 . 1 1 82 82 LYS H H 1 8.734 0.003 . 1 . . . . 326 LYS H . 7113 1 945 . 1 1 82 82 LYS HA H 1 5.021 0.003 . 1 . . . . 326 LYS HA . 7113 1 946 . 1 1 82 82 LYS HB2 H 1 1.609 0.004 . 2 . . . . 326 LYS HB2 . 7113 1 947 . 1 1 82 82 LYS HB3 H 1 1.429 0.006 . 2 . . . . 326 LYS HB3 . 7113 1 948 . 1 1 82 82 LYS HG2 H 1 1.226 0.004 . 2 . . . . 326 LYS HG2 . 7113 1 949 . 1 1 82 82 LYS HG3 H 1 1.117 0.006 . 2 . . . . 326 LYS HG3 . 7113 1 950 . 1 1 82 82 LYS HD2 H 1 1.410 0.000 . 1 . . . . 326 LYS QD . 7113 1 951 . 1 1 82 82 LYS HD3 H 1 1.410 0.000 . 1 . . . . 326 LYS QD . 7113 1 952 . 1 1 82 82 LYS HE2 H 1 2.681 0.007 . 1 . . . . 326 LYS QE . 7113 1 953 . 1 1 82 82 LYS HE3 H 1 2.681 0.007 . 1 . . . . 326 LYS QE . 7113 1 954 . 1 1 82 82 LYS C C 13 175.054 0.040 . 1 . . . . 326 LYS C . 7113 1 955 . 1 1 82 82 LYS CA C 13 55.451 0.034 . 1 . . . . 326 LYS CA . 7113 1 956 . 1 1 82 82 LYS CB C 13 37.852 0.052 . 1 . . . . 326 LYS CB . 7113 1 957 . 1 1 82 82 LYS CG C 13 25.150 0.079 . 1 . . . . 326 LYS CG . 7113 1 958 . 1 1 82 82 LYS CD C 13 29.694 0.053 . 1 . . . . 326 LYS CD . 7113 1 959 . 1 1 82 82 LYS CE C 13 42.209 0.072 . 1 . . . . 326 LYS CE . 7113 1 960 . 1 1 82 82 LYS N N 15 128.038 0.029 . 1 . . . . 326 LYS N . 7113 1 961 . 1 1 83 83 ASN H H 1 8.949 0.004 . 1 . . . . 327 ASN H . 7113 1 962 . 1 1 83 83 ASN HA H 1 4.624 0.003 . 1 . . . . 327 ASN HA . 7113 1 963 . 1 1 83 83 ASN HB2 H 1 2.409 0.002 . 1 . . . . 327 ASN HB2 . 7113 1 964 . 1 1 83 83 ASN HB3 H 1 2.951 0.003 . 1 . . . . 327 ASN HB3 . 7113 1 965 . 1 1 83 83 ASN HD21 H 1 7.868 0.000 . 2 . . . . 327 ASN HD21 . 7113 1 966 . 1 1 83 83 ASN HD22 H 1 6.938 0.000 . 2 . . . . 327 ASN HD22 . 7113 1 967 . 1 1 83 83 ASN C C 13 176.409 0.048 . 1 . . . . 327 ASN C . 7113 1 968 . 1 1 83 83 ASN CA C 13 51.838 0.033 . 1 . . . . 327 ASN CA . 7113 1 969 . 1 1 83 83 ASN CB C 13 40.927 0.056 . 1 . . . . 327 ASN CB . 7113 1 970 . 1 1 83 83 ASN N N 15 128.769 0.026 . 1 . . . . 327 ASN N . 7113 1 971 . 1 1 83 83 ASN ND2 N 15 114.179 0.004 . 1 . . . . 327 ASN ND2 . 7113 1 972 . 1 1 84 84 ARG H H 1 8.203 0.002 . 1 . . . . 328 ARG H . 7113 1 973 . 1 1 84 84 ARG HA H 1 3.917 0.003 . 1 . . . . 328 ARG HA . 7113 1 974 . 1 1 84 84 ARG HB2 H 1 1.670 0.000 . 2 . . . . 328 ARG HB2 . 7113 1 975 . 1 1 84 84 ARG HB3 H 1 1.598 0.003 . 2 . . . . 328 ARG HB3 . 7113 1 976 . 1 1 84 84 ARG HG2 H 1 1.404 0.002 . 1 . . . . 328 ARG QG . 7113 1 977 . 1 1 84 84 ARG HG3 H 1 1.404 0.002 . 1 . . . . 328 ARG QG . 7113 1 978 . 1 1 84 84 ARG HD2 H 1 3.003 0.002 . 1 . . . . 328 ARG QD . 7113 1 979 . 1 1 84 84 ARG HD3 H 1 3.003 0.002 . 1 . . . . 328 ARG QD . 7113 1 980 . 1 1 84 84 ARG HE H 1 7.194 0.002 . 1 . . . . 328 ARG HE . 7113 1 981 . 1 1 84 84 ARG C C 13 175.820 0.038 . 1 . . . . 328 ARG C . 7113 1 982 . 1 1 84 84 ARG CA C 13 58.250 0.035 . 1 . . . . 328 ARG CA . 7113 1 983 . 1 1 84 84 ARG CB C 13 29.985 0.078 . 1 . . . . 328 ARG CB . 7113 1 984 . 1 1 84 84 ARG CG C 13 26.611 0.064 . 1 . . . . 328 ARG CG . 7113 1 985 . 1 1 84 84 ARG CD C 13 43.510 0.070 . 1 . . . . 328 ARG CD . 7113 1 986 . 1 1 84 84 ARG N N 15 121.021 0.033 . 1 . . . . 328 ARG N . 7113 1 987 . 1 1 84 84 ARG NE N 15 122.485 0.030 . 1 . . . . 328 ARG NE . 7113 1 988 . 1 1 85 85 ALA H H 1 7.599 0.008 . 1 . . . . 329 ALA H . 7113 1 989 . 1 1 85 85 ALA HA H 1 4.279 0.007 . 1 . . . . 329 ALA HA . 7113 1 990 . 1 1 85 85 ALA HB1 H 1 1.048 0.003 . 1 . . . . 329 ALA QB . 7113 1 991 . 1 1 85 85 ALA HB2 H 1 1.048 0.003 . 1 . . . . 329 ALA QB . 7113 1 992 . 1 1 85 85 ALA HB3 H 1 1.048 0.003 . 1 . . . . 329 ALA QB . 7113 1 993 . 1 1 85 85 ALA C C 13 177.261 0.044 . 1 . . . . 329 ALA C . 7113 1 994 . 1 1 85 85 ALA CA C 13 51.905 0.033 . 1 . . . . 329 ALA CA . 7113 1 995 . 1 1 85 85 ALA CB C 13 19.637 0.066 . 1 . . . . 329 ALA CB . 7113 1 996 . 1 1 85 85 ALA N N 15 125.074 3.851 . 1 . . . . 329 ALA N . 7113 1 997 . 1 1 86 86 GLY H H 1 7.624 0.004 . 1 . . . . 330 GLY H . 7113 1 998 . 1 1 86 86 GLY HA2 H 1 3.806 0.001 . 1 . . . . 330 GLY HA2 . 7113 1 999 . 1 1 86 86 GLY HA3 H 1 4.164 0.002 . 1 . . . . 330 GLY HA3 . 7113 1 1000 . 1 1 86 86 GLY C C 13 169.646 0.037 . 1 . . . . 330 GLY C . 7113 1 1001 . 1 1 86 86 GLY CA C 13 46.012 0.039 . 1 . . . . 330 GLY CA . 7113 1 1002 . 1 1 86 86 GLY N N 15 112.891 0.022 . 1 . . . . 330 GLY N . 7113 1 1003 . 1 1 87 87 GLU H H 1 8.213 0.002 . 1 . . . . 331 GLU H . 7113 1 1004 . 1 1 87 87 GLU HA H 1 5.274 0.004 . 1 . . . . 331 GLU HA . 7113 1 1005 . 1 1 87 87 GLU HB2 H 1 1.677 0.000 . 1 . . . . 331 GLU HB2 . 7113 1 1006 . 1 1 87 87 GLU HB3 H 1 1.733 0.000 . 1 . . . . 331 GLU HB3 . 7113 1 1007 . 1 1 87 87 GLU HG2 H 1 1.858 0.000 . 1 . . . . 331 GLU QG . 7113 1 1008 . 1 1 87 87 GLU HG3 H 1 1.858 0.000 . 1 . . . . 331 GLU QG . 7113 1 1009 . 1 1 87 87 GLU C C 13 174.418 0.045 . 1 . . . . 331 GLU C . 7113 1 1010 . 1 1 87 87 GLU CA C 13 54.349 0.028 . 1 . . . . 331 GLU CA . 7113 1 1011 . 1 1 87 87 GLU CB C 13 34.615 0.046 . 1 . . . . 331 GLU CB . 7113 1 1012 . 1 1 87 87 GLU CG C 13 36.135 0.085 . 1 . . . . 331 GLU CG . 7113 1 1013 . 1 1 87 87 GLU N N 15 123.208 0.030 . 1 . . . . 331 GLU N . 7113 1 1014 . 1 1 88 88 ALA H H 1 8.897 0.006 . 1 . . . . 332 ALA H . 7113 1 1015 . 1 1 88 88 ALA HA H 1 4.569 0.000 . 1 . . . . 332 ALA HA . 7113 1 1016 . 1 1 88 88 ALA HB1 H 1 1.042 0.004 . 1 . . . . 332 ALA QB . 7113 1 1017 . 1 1 88 88 ALA HB2 H 1 1.042 0.004 . 1 . . . . 332 ALA QB . 7113 1 1018 . 1 1 88 88 ALA HB3 H 1 1.042 0.004 . 1 . . . . 332 ALA QB . 7113 1 1019 . 1 1 88 88 ALA C C 13 175.121 0.042 . 1 . . . . 332 ALA C . 7113 1 1020 . 1 1 88 88 ALA CA C 13 51.592 0.024 . 1 . . . . 332 ALA CA . 7113 1 1021 . 1 1 88 88 ALA CB C 13 23.324 0.062 . 1 . . . . 332 ALA CB . 7113 1 1022 . 1 1 88 88 ALA N N 15 131.757 0.044 . 1 . . . . 332 ALA N . 7113 1 1023 . 1 1 89 89 THR H H 1 8.521 0.002 . 1 . . . . 333 THR H . 7113 1 1024 . 1 1 89 89 THR HA H 1 5.661 0.001 . 1 . . . . 333 THR HA . 7113 1 1025 . 1 1 89 89 THR HB H 1 3.710 0.005 . 1 . . . . 333 THR HB . 7113 1 1026 . 1 1 89 89 THR HG21 H 1 0.813 0.006 . 1 . . . . 333 THR QG2 . 7113 1 1027 . 1 1 89 89 THR HG22 H 1 0.813 0.006 . 1 . . . . 333 THR QG2 . 7113 1 1028 . 1 1 89 89 THR HG23 H 1 0.813 0.006 . 1 . . . . 333 THR QG2 . 7113 1 1029 . 1 1 89 89 THR C C 13 173.827 0.000 . 1 . . . . 333 THR C . 7113 1 1030 . 1 1 89 89 THR CA C 13 60.601 0.038 . 1 . . . . 333 THR CA . 7113 1 1031 . 1 1 89 89 THR CB C 13 72.140 0.047 . 1 . . . . 333 THR CB . 7113 1 1032 . 1 1 89 89 THR CG2 C 13 20.439 0.045 . 1 . . . . 333 THR CG2 . 7113 1 1033 . 1 1 89 89 THR N N 15 121.100 0.024 . 1 . . . . 333 THR N . 7113 1 1034 . 1 1 90 90 PHE H H 1 8.603 0.000 . 1 . . . . 334 PHE H . 7113 1 1035 . 1 1 90 90 PHE HA H 1 4.624 0.009 . 1 . . . . 334 PHE HA . 7113 1 1036 . 1 1 90 90 PHE HB2 H 1 3.330 0.004 . 1 . . . . 334 PHE HB2 . 7113 1 1037 . 1 1 90 90 PHE HB3 H 1 2.837 0.002 . 1 . . . . 334 PHE HB3 . 7113 1 1038 . 1 1 90 90 PHE HD1 H 1 7.029 0.000 . 3 . . . . 334 PHE QD . 7113 1 1039 . 1 1 90 90 PHE HD2 H 1 7.029 0.000 . 3 . . . . 334 PHE QD . 7113 1 1040 . 1 1 90 90 PHE HE1 H 1 6.700 0.000 . 3 . . . . 334 PHE QE . 7113 1 1041 . 1 1 90 90 PHE HE2 H 1 6.700 0.000 . 3 . . . . 334 PHE QE . 7113 1 1042 . 1 1 90 90 PHE HZ H 1 6.550 0.000 . 1 . . . . 334 PHE HZ . 7113 1 1043 . 1 1 90 90 PHE CA C 13 56.618 0.007 . 1 . . . . 334 PHE CA . 7113 1 1044 . 1 1 90 90 PHE CB C 13 42.489 0.003 . 1 . . . . 334 PHE CB . 7113 1 1045 . 1 1 90 90 PHE CD1 C 13 132.37 0.000 . 3 . . . . 334 PHE CD1 . 7113 1 1046 . 1 1 90 90 PHE CE1 C 13 131.39 0.000 . 3 . . . . 334 PHE CE1 . 7113 1 1047 . 1 1 90 90 PHE CZ C 13 130.95 0.000 . 1 . . . . 334 PHE CZ . 7113 1 1048 . 1 1 91 91 THR H H 1 8.174 0.000 . 1 . . . . 335 THR H . 7113 1 1049 . 1 1 91 91 THR HA H 1 5.445 0.002 . 1 . . . . 335 THR HA . 7113 1 1050 . 1 1 91 91 THR HB H 1 3.902 0.002 . 1 . . . . 335 THR HB . 7113 1 1051 . 1 1 91 91 THR HG21 H 1 0.892 0.000 . 1 . . . . 335 THR QG2 . 7113 1 1052 . 1 1 91 91 THR HG22 H 1 0.892 0.000 . 1 . . . . 335 THR QG2 . 7113 1 1053 . 1 1 91 91 THR HG23 H 1 0.892 0.000 . 1 . . . . 335 THR QG2 . 7113 1 1054 . 1 1 91 91 THR CA C 13 60.110 0.026 . 1 . . . . 335 THR CA . 7113 1 1055 . 1 1 91 91 THR CB C 13 71.671 0.029 . 1 . . . . 335 THR CB . 7113 1 1056 . 1 1 91 91 THR CG2 C 13 21.253 0.000 . 1 . . . . 335 THR CG2 . 7113 1 1057 . 1 1 92 92 VAL H H 1 9.158 0.000 . 1 . . . . 336 VAL H . 7113 1 1058 . 1 1 92 92 VAL HA H 1 4.432 0.003 . 1 . . . . 336 VAL HA . 7113 1 1059 . 1 1 92 92 VAL HB H 1 1.955 0.001 . 1 . . . . 336 VAL HB . 7113 1 1060 . 1 1 92 92 VAL HG11 H 1 1.007 0.000 . 2 . . . . 336 VAL QG1 . 7113 1 1061 . 1 1 92 92 VAL HG12 H 1 1.007 0.000 . 2 . . . . 336 VAL QG1 . 7113 1 1062 . 1 1 92 92 VAL HG13 H 1 1.007 0.000 . 2 . . . . 336 VAL QG1 . 7113 1 1063 . 1 1 92 92 VAL HG21 H 1 0.880 0.000 . 2 . . . . 336 VAL QG2 . 7113 1 1064 . 1 1 92 92 VAL HG22 H 1 0.880 0.000 . 2 . . . . 336 VAL QG2 . 7113 1 1065 . 1 1 92 92 VAL HG23 H 1 0.880 0.000 . 2 . . . . 336 VAL QG2 . 7113 1 1066 . 1 1 92 92 VAL C C 13 171.594 0.000 . 1 . . . . 336 VAL C . 7113 1 1067 . 1 1 92 92 VAL CA C 13 60.914 0.077 . 1 . . . . 336 VAL CA . 7113 1 1068 . 1 1 92 92 VAL CB C 13 35.760 0.000 . 1 . . . . 336 VAL CB . 7113 1 1069 . 1 1 92 92 VAL CG1 C 13 21.070 0.000 . 2 . . . . 336 VAL CG1 . 7113 1 1070 . 1 1 92 92 VAL CG2 C 13 21.862 0.000 . 2 . . . . 336 VAL CG2 . 7113 1 1071 . 1 1 92 92 VAL N N 15 130.220 0.000 . 1 . . . . 336 VAL N . 7113 1 1072 . 1 1 93 93 GLN H H 1 8.302 0.002 . 1 . . . . 337 GLN H . 7113 1 1073 . 1 1 93 93 GLN HA H 1 4.756 0.003 . 1 . . . . 337 GLN HA . 7113 1 1074 . 1 1 93 93 GLN HB2 H 1 1.695 0.005 . 1 . . . . 337 GLN QB . 7113 1 1075 . 1 1 93 93 GLN HB3 H 1 1.695 0.005 . 1 . . . . 337 GLN QB . 7113 1 1076 . 1 1 93 93 GLN HG2 H 1 2.151 0.003 . 1 . . . . 337 GLN HG2 . 7113 1 1077 . 1 1 93 93 GLN HG3 H 1 1.966 0.000 . 1 . . . . 337 GLN HG3 . 7113 1 1078 . 1 1 93 93 GLN HE21 H 1 7.517 0.000 . 2 . . . . 337 GLN HE21 . 7113 1 1079 . 1 1 93 93 GLN HE22 H 1 6.424 0.000 . 2 . . . . 337 GLN HE22 . 7113 1 1080 . 1 1 93 93 GLN C C 13 174.009 0.035 . 1 . . . . 337 GLN C . 7113 1 1081 . 1 1 93 93 GLN CA C 13 54.672 0.033 . 1 . . . . 337 GLN CA . 7113 1 1082 . 1 1 93 93 GLN CB C 13 30.071 0.067 . 1 . . . . 337 GLN CB . 7113 1 1083 . 1 1 93 93 GLN CG C 13 33.297 0.068 . 1 . . . . 337 GLN CG . 7113 1 1084 . 1 1 93 93 GLN N N 15 133.412 0.030 . 1 . . . . 337 GLN N . 7113 1 1085 . 1 1 93 93 GLN NE2 N 15 117.470 0.001 . 1 . . . . 337 GLN NE2 . 7113 1 1086 . 1 1 94 94 LEU H H 1 8.812 0.004 . 1 . . . . 338 LEU H . 7113 1 1087 . 1 1 94 94 LEU HA H 1 4.836 0.008 . 1 . . . . 338 LEU HA . 7113 1 1088 . 1 1 94 94 LEU HB2 H 1 0.786 0.003 . 1 . . . . 338 LEU HB2 . 7113 1 1089 . 1 1 94 94 LEU HB3 H 1 2.045 0.003 . 1 . . . . 338 LEU HB3 . 7113 1 1090 . 1 1 94 94 LEU HG H 1 0.831 0.001 . 1 . . . . 338 LEU HG . 7113 1 1091 . 1 1 94 94 LEU HD11 H 1 0.305 0.001 . 1 . . . . 338 LEU QD1 . 7113 1 1092 . 1 1 94 94 LEU HD12 H 1 0.305 0.001 . 1 . . . . 338 LEU QD1 . 7113 1 1093 . 1 1 94 94 LEU HD13 H 1 0.305 0.001 . 1 . . . . 338 LEU QD1 . 7113 1 1094 . 1 1 94 94 LEU HD21 H 1 -0.122 0.003 . 1 . . . . 338 LEU QD2 . 7113 1 1095 . 1 1 94 94 LEU HD22 H 1 -0.122 0.003 . 1 . . . . 338 LEU QD2 . 7113 1 1096 . 1 1 94 94 LEU HD23 H 1 -0.122 0.003 . 1 . . . . 338 LEU QD2 . 7113 1 1097 . 1 1 94 94 LEU C C 13 175.099 0.040 . 1 . . . . 338 LEU C . 7113 1 1098 . 1 1 94 94 LEU CA C 13 53.725 0.039 . 1 . . . . 338 LEU CA . 7113 1 1099 . 1 1 94 94 LEU CB C 13 44.955 0.050 . 1 . . . . 338 LEU CB . 7113 1 1100 . 1 1 94 94 LEU CG C 13 28.043 0.023 . 1 . . . . 338 LEU CG . 7113 1 1101 . 1 1 94 94 LEU CD1 C 13 24.287 0.000 . 1 . . . . 338 LEU CD1 . 7113 1 1102 . 1 1 94 94 LEU CD2 C 13 25.069 0.000 . 1 . . . . 338 LEU CD2 . 7113 1 1103 . 1 1 94 94 LEU N N 15 133.816 0.032 . 1 . . . . 338 LEU N . 7113 1 1104 . 1 1 95 95 ASP H H 1 8.747 0.004 . 1 . . . . 339 ASP H . 7113 1 1105 . 1 1 95 95 ASP HA H 1 4.871 0.002 . 1 . . . . 339 ASP HA . 7113 1 1106 . 1 1 95 95 ASP HB2 H 1 2.383 0.003 . 1 . . . . 339 ASP QB . 7113 1 1107 . 1 1 95 95 ASP HB3 H 1 2.383 0.003 . 1 . . . . 339 ASP QB . 7113 1 1108 . 1 1 95 95 ASP C C 13 174.295 0.036 . 1 . . . . 339 ASP C . 7113 1 1109 . 1 1 95 95 ASP CA C 13 53.311 0.043 . 1 . . . . 339 ASP CA . 7113 1 1110 . 1 1 95 95 ASP CB C 13 42.895 0.062 . 1 . . . . 339 ASP CB . 7113 1 1111 . 1 1 95 95 ASP N N 15 134.770 0.031 . 1 . . . . 339 ASP N . 7113 1 1112 . 1 1 96 96 VAL H H 1 7.745 0.002 . 1 . . . . 340 VAL H . 7113 1 1113 . 1 1 96 96 VAL HA H 1 4.653 0.001 . 1 . . . . 340 VAL HA . 7113 1 1114 . 1 1 96 96 VAL HB H 1 1.612 0.004 . 1 . . . . 340 VAL HB . 7113 1 1115 . 1 1 96 96 VAL HG11 H 1 0.420 0.001 . 2 . . . . 340 VAL QG1 . 7113 1 1116 . 1 1 96 96 VAL HG12 H 1 0.420 0.001 . 2 . . . . 340 VAL QG1 . 7113 1 1117 . 1 1 96 96 VAL HG13 H 1 0.420 0.001 . 2 . . . . 340 VAL QG1 . 7113 1 1118 . 1 1 96 96 VAL HG21 H 1 0.378 0.002 . 2 . . . . 340 VAL QG2 . 7113 1 1119 . 1 1 96 96 VAL HG22 H 1 0.378 0.002 . 2 . . . . 340 VAL QG2 . 7113 1 1120 . 1 1 96 96 VAL HG23 H 1 0.378 0.002 . 2 . . . . 340 VAL QG2 . 7113 1 1121 . 1 1 96 96 VAL C C 13 175.494 0.036 . 1 . . . . 340 VAL C . 7113 1 1122 . 1 1 96 96 VAL CA C 13 60.722 0.049 . 1 . . . . 340 VAL CA . 7113 1 1123 . 1 1 96 96 VAL CB C 13 33.852 0.070 . 1 . . . . 340 VAL CB . 7113 1 1124 . 1 1 96 96 VAL CG1 C 13 20.332 0.000 . 2 . . . . 340 VAL CG1 . 7113 1 1125 . 1 1 96 96 VAL CG2 C 13 20.413 0.000 . 2 . . . . 340 VAL CG2 . 7113 1 1126 . 1 1 96 96 VAL N N 15 128.328 0.024 . 1 . . . . 340 VAL N . 7113 1 1127 . 1 1 97 97 LEU H H 1 8.524 0.003 . 1 . . . . 341 LEU H . 7113 1 1128 . 1 1 97 97 LEU HA H 1 4.243 0.001 . 1 . . . . 341 LEU HA . 7113 1 1129 . 1 1 97 97 LEU HB2 H 1 1.557 0.005 . 1 . . . . 341 LEU HB2 . 7113 1 1130 . 1 1 97 97 LEU HB3 H 1 1.301 0.004 . 1 . . . . 341 LEU HB3 . 7113 1 1131 . 1 1 97 97 LEU HG H 1 1.226 0.001 . 1 . . . . 341 LEU HG . 7113 1 1132 . 1 1 97 97 LEU HD11 H 1 0.569 0.002 . 2 . . . . 341 LEU QD1 . 7113 1 1133 . 1 1 97 97 LEU HD12 H 1 0.569 0.002 . 2 . . . . 341 LEU QD1 . 7113 1 1134 . 1 1 97 97 LEU HD13 H 1 0.569 0.002 . 2 . . . . 341 LEU QD1 . 7113 1 1135 . 1 1 97 97 LEU HD21 H 1 0.599 0.005 . 2 . . . . 341 LEU QD2 . 7113 1 1136 . 1 1 97 97 LEU HD22 H 1 0.599 0.005 . 2 . . . . 341 LEU QD2 . 7113 1 1137 . 1 1 97 97 LEU HD23 H 1 0.599 0.005 . 2 . . . . 341 LEU QD2 . 7113 1 1138 . 1 1 97 97 LEU C C 13 176.052 0.048 . 1 . . . . 341 LEU C . 7113 1 1139 . 1 1 97 97 LEU CA C 13 54.086 0.027 . 1 . . . . 341 LEU CA . 7113 1 1140 . 1 1 97 97 LEU CB C 13 41.446 0.041 . 1 . . . . 341 LEU CB . 7113 1 1141 . 1 1 97 97 LEU CG C 13 27.261 0.000 . 1 . . . . 341 LEU CG . 7113 1 1142 . 1 1 97 97 LEU CD1 C 13 23.311 0.050 . 2 . . . . 341 LEU CD1 . 7113 1 1143 . 1 1 97 97 LEU CD2 C 13 25.082 0.071 . 2 . . . . 341 LEU CD2 . 7113 1 1144 . 1 1 97 97 LEU N N 15 136.554 0.031 . 1 . . . . 341 LEU N . 7113 1 1145 . 1 1 98 98 ALA H H 1 8.344 0.001 . 1 . . . . 342 ALA H . 7113 1 1146 . 1 1 98 98 ALA HA H 1 4.227 0.006 . 1 . . . . 342 ALA HA . 7113 1 1147 . 1 1 98 98 ALA HB1 H 1 1.201 0.003 . 1 . . . . 342 ALA QB . 7113 1 1148 . 1 1 98 98 ALA HB2 H 1 1.201 0.003 . 1 . . . . 342 ALA QB . 7113 1 1149 . 1 1 98 98 ALA HB3 H 1 1.201 0.003 . 1 . . . . 342 ALA QB . 7113 1 1150 . 1 1 98 98 ALA C C 13 177.569 0.048 . 1 . . . . 342 ALA C . 7113 1 1151 . 1 1 98 98 ALA CA C 13 51.964 0.029 . 1 . . . . 342 ALA CA . 7113 1 1152 . 1 1 98 98 ALA CB C 13 19.976 0.049 . 1 . . . . 342 ALA CB . 7113 1 1153 . 1 1 98 98 ALA N N 15 134.558 0.022 . 1 . . . . 342 ALA N . 7113 1 1154 . 1 1 99 99 LYS H H 1 8.552 0.002 . 1 . . . . 343 LYS H . 7113 1 1155 . 1 1 99 99 LYS HA H 1 4.119 0.003 . 1 . . . . 343 LYS HA . 7113 1 1156 . 1 1 99 99 LYS HB2 H 1 1.640 0.002 . 2 . . . . 343 LYS HB2 . 7113 1 1157 . 1 1 99 99 LYS HB3 H 1 1.590 0.005 . 2 . . . . 343 LYS HB3 . 7113 1 1158 . 1 1 99 99 LYS HG2 H 1 1.278 0.002 . 1 . . . . 343 LYS QG . 7113 1 1159 . 1 1 99 99 LYS HG3 H 1 1.278 0.002 . 1 . . . . 343 LYS QG . 7113 1 1160 . 1 1 99 99 LYS HD2 H 1 1.494 0.000 . 1 . . . . 343 LYS QD . 7113 1 1161 . 1 1 99 99 LYS HD3 H 1 1.494 0.000 . 1 . . . . 343 LYS QD . 7113 1 1162 . 1 1 99 99 LYS HE2 H 1 2.800 0.000 . 1 . . . . 343 LYS QE . 7113 1 1163 . 1 1 99 99 LYS HE3 H 1 2.800 0.000 . 1 . . . . 343 LYS QE . 7113 1 1164 . 1 1 99 99 LYS C C 13 175.859 0.045 . 1 . . . . 343 LYS C . 7113 1 1165 . 1 1 99 99 LYS CA C 13 56.453 0.046 . 1 . . . . 343 LYS CA . 7113 1 1166 . 1 1 99 99 LYS CB C 13 33.257 0.067 . 1 . . . . 343 LYS CB . 7113 1 1167 . 1 1 99 99 LYS CG C 13 24.605 0.070 . 1 . . . . 343 LYS CG . 7113 1 1168 . 1 1 99 99 LYS CD C 13 29.110 0.075 . 1 . . . . 343 LYS CD . 7113 1 1169 . 1 1 99 99 LYS CE C 13 42.211 0.046 . 1 . . . . 343 LYS CE . 7113 1 1170 . 1 1 99 99 LYS N N 15 128.906 0.033 . 1 . . . . 343 LYS N . 7113 1 1171 . 1 1 100 100 GLU H H 1 7.920 0.001 . 1 . . . . 344 GLU H . 7113 1 1172 . 1 1 100 100 GLU HA H 1 3.930 0.006 . 1 . . . . 344 GLU HA . 7113 1 1173 . 1 1 100 100 GLU HB2 H 1 1.836 0.001 . 2 . . . . 344 GLU HB2 . 7113 1 1174 . 1 1 100 100 GLU HB3 H 1 1.696 0.003 . 2 . . . . 344 GLU HB3 . 7113 1 1175 . 1 1 100 100 GLU HG2 H 1 2.007 0.003 . 1 . . . . 344 GLU QG . 7113 1 1176 . 1 1 100 100 GLU HG3 H 1 2.007 0.003 . 1 . . . . 344 GLU QG . 7113 1 1177 . 1 1 100 100 GLU C C 13 181.068 0.000 . 1 . . . . 344 GLU C . 7113 1 1178 . 1 1 100 100 GLU CA C 13 58.053 0.043 . 1 . . . . 344 GLU CA . 7113 1 1179 . 1 1 100 100 GLU CB C 13 31.255 0.048 . 1 . . . . 344 GLU CB . 7113 1 1180 . 1 1 100 100 GLU CG C 13 36.758 0.040 . 1 . . . . 344 GLU CG . 7113 1 1181 . 1 1 100 100 GLU N N 15 134.347 0.025 . 1 . . . . 344 GLU N . 7113 1 stop_ save_