data_50966 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50966 _Entry.Title ; 1H, 15N, 13C resonnance assigments and secondary structure of PulL, a component of the Klebsiella oxytoca type II secretion system ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-09 _Entry.Accession_date 2021-06-09 _Entry.Last_release_date 2021-06-16 _Entry.Original_release_date 2021-06-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Type II secretion systems (T2SS) allow Gram-negative bacteria to transport toxins and enzymes from the periplasm to the external milieu. This system is important for the pathogenicity of bacteria. To drive secretion, T2SS assemble periplasmic filaments called pseudopili, closely related to bacterial type IV pili. Pseudopilus assembly is orchestrated by the inner membrane subcomplex called the assembly platform, which is connected to the cytoplasmic ATPase motor. In the Klebsiella oxytoca T2SS, the PulL protein from the assembly platform is essential for pseudopilus assembly and protein secretion. To understand the molecular basis of PulL function, we used solution NMR to study its structure and interactions with other components of the machinery. Here we report the chemical shift assignments of the C-terminal periplasmic domain of PulL and its secondary structure based on NMR data. ; _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.ORCID _Entry_author.Entry_ID 1 Regine Dazzoni . . . . 50966 2 Aracelys Lopez-Castilla . . . . 50966 3 Florence Cordier . . . . 50966 4 Benjamin Bardiaux . . . . 50966 5 Michael Nilges . . . . 50966 6 Nadia Izadi-Pruneyre . . . . 50966 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50966 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 50966 '15N chemical shifts' 89 50966 '1H chemical shifts' 471 50966 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 2 . . 2021-11-07 2021-06-09 update BMRB 'update entry citation' 50966 1 . . 2021-08-27 2021-06-09 original author 'original release' 50966 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50966 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34410621 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C resonance assignments of the C-terminal domain of PulL, a component of the Klebsiella oxytoca type II secretion system ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _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 455 _Citation.Page_last 459 _Citation.Year 2021 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Regine Dazzoni . . . . 50966 1 2 Aracelys Lopez-Castilla . . . . 50966 1 3 Florence Cordier . . . . 50966 1 4 Benjamin Bardiaux . . . . 50966 1 5 Michael Nilges . . . . 50966 1 6 Olivera Francetic . . . . 50966 1 7 Nadia Izadi-Pruneyre . . . . 50966 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'chemical shift assignement, type II secretion system, PulL, Klebsiella oxytoca, secondary structure' 50966 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50966 _Assembly.ID 1 _Assembly.Name 'PulL CTD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'CTD for C-Terminal Domain' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PulL CTD' 1 $entity_1 . . yes native no no . . . 50966 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50966 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SNAGARPALISRLGALQQII DDTPGIRLRTLSFDAARNAL QLEISAVSSQALEQFSQRAR ARFRVQTGEMKPRADGIEGR LTLEGNDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Begin to N312' _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 'The S311 come from the TEV cliveage' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 311 SER . 50966 1 2 312 ASN . 50966 1 3 313 ALA . 50966 1 4 314 GLY . 50966 1 5 315 ALA . 50966 1 6 316 ARG . 50966 1 7 317 PRO . 50966 1 8 318 ALA . 50966 1 9 319 LEU . 50966 1 10 320 ILE . 50966 1 11 321 SER . 50966 1 12 322 ARG . 50966 1 13 323 LEU . 50966 1 14 324 GLY . 50966 1 15 325 ALA . 50966 1 16 326 LEU . 50966 1 17 327 GLN . 50966 1 18 328 GLN . 50966 1 19 329 ILE . 50966 1 20 330 ILE . 50966 1 21 331 ASP . 50966 1 22 332 ASP . 50966 1 23 333 THR . 50966 1 24 334 PRO . 50966 1 25 335 GLY . 50966 1 26 336 ILE . 50966 1 27 337 ARG . 50966 1 28 338 LEU . 50966 1 29 339 ARG . 50966 1 30 340 THR . 50966 1 31 341 LEU . 50966 1 32 342 SER . 50966 1 33 343 PHE . 50966 1 34 344 ASP . 50966 1 35 345 ALA . 50966 1 36 346 ALA . 50966 1 37 347 ARG . 50966 1 38 348 ASN . 50966 1 39 349 ALA . 50966 1 40 350 LEU . 50966 1 41 351 GLN . 50966 1 42 352 LEU . 50966 1 43 353 GLU . 50966 1 44 354 ILE . 50966 1 45 355 SER . 50966 1 46 356 ALA . 50966 1 47 357 VAL . 50966 1 48 358 SER . 50966 1 49 359 SER . 50966 1 50 360 GLN . 50966 1 51 361 ALA . 50966 1 52 362 LEU . 50966 1 53 363 GLU . 50966 1 54 364 GLN . 50966 1 55 365 PHE . 50966 1 56 366 SER . 50966 1 57 367 GLN . 50966 1 58 368 ARG . 50966 1 59 369 ALA . 50966 1 60 370 ARG . 50966 1 61 371 ALA . 50966 1 62 372 ARG . 50966 1 63 373 PHE . 50966 1 64 374 ARG . 50966 1 65 375 VAL . 50966 1 66 376 GLN . 50966 1 67 377 THR . 50966 1 68 378 GLY . 50966 1 69 379 GLU . 50966 1 70 380 MET . 50966 1 71 381 LYS . 50966 1 72 382 PRO . 50966 1 73 383 ARG . 50966 1 74 384 ALA . 50966 1 75 385 ASP . 50966 1 76 386 GLY . 50966 1 77 387 ILE . 50966 1 78 388 GLU . 50966 1 79 389 GLY . 50966 1 80 390 ARG . 50966 1 81 391 LEU . 50966 1 82 392 THR . 50966 1 83 393 LEU . 50966 1 84 394 GLU . 50966 1 85 395 GLY . 50966 1 86 396 ASN . 50966 1 87 397 ASP . 50966 1 88 398 ALA . 50966 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 . SER 1 1 50966 1 . ASN 2 2 50966 1 . ALA 3 3 50966 1 . GLY 4 4 50966 1 . ALA 5 5 50966 1 . ARG 6 6 50966 1 . PRO 7 7 50966 1 . ALA 8 8 50966 1 . LEU 9 9 50966 1 . ILE 10 10 50966 1 . SER 11 11 50966 1 . ARG 12 12 50966 1 . LEU 13 13 50966 1 . GLY 14 14 50966 1 . ALA 15 15 50966 1 . LEU 16 16 50966 1 . GLN 17 17 50966 1 . GLN 18 18 50966 1 . ILE 19 19 50966 1 . ILE 20 20 50966 1 . ASP 21 21 50966 1 . ASP 22 22 50966 1 . THR 23 23 50966 1 . PRO 24 24 50966 1 . GLY 25 25 50966 1 . ILE 26 26 50966 1 . ARG 27 27 50966 1 . LEU 28 28 50966 1 . ARG 29 29 50966 1 . THR 30 30 50966 1 . LEU 31 31 50966 1 . SER 32 32 50966 1 . PHE 33 33 50966 1 . ASP 34 34 50966 1 . ALA 35 35 50966 1 . ALA 36 36 50966 1 . ARG 37 37 50966 1 . ASN 38 38 50966 1 . ALA 39 39 50966 1 . LEU 40 40 50966 1 . GLN 41 41 50966 1 . LEU 42 42 50966 1 . GLU 43 43 50966 1 . ILE 44 44 50966 1 . SER 45 45 50966 1 . ALA 46 46 50966 1 . VAL 47 47 50966 1 . SER 48 48 50966 1 . SER 49 49 50966 1 . GLN 50 50 50966 1 . ALA 51 51 50966 1 . LEU 52 52 50966 1 . GLU 53 53 50966 1 . GLN 54 54 50966 1 . PHE 55 55 50966 1 . SER 56 56 50966 1 . GLN 57 57 50966 1 . ARG 58 58 50966 1 . ALA 59 59 50966 1 . ARG 60 60 50966 1 . ALA 61 61 50966 1 . ARG 62 62 50966 1 . PHE 63 63 50966 1 . ARG 64 64 50966 1 . VAL 65 65 50966 1 . GLN 66 66 50966 1 . THR 67 67 50966 1 . GLY 68 68 50966 1 . GLU 69 69 50966 1 . MET 70 70 50966 1 . LYS 71 71 50966 1 . PRO 72 72 50966 1 . ARG 73 73 50966 1 . ALA 74 74 50966 1 . ASP 75 75 50966 1 . GLY 76 76 50966 1 . ILE 77 77 50966 1 . GLU 78 78 50966 1 . GLY 79 79 50966 1 . ARG 80 80 50966 1 . LEU 81 81 50966 1 . THR 82 82 50966 1 . LEU 83 83 50966 1 . GLU 84 84 50966 1 . GLY 85 85 50966 1 . ASN 86 86 50966 1 . ASP 87 87 50966 1 . ALA 88 88 50966 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50966 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 571 organism . 'Klebsiella oxytoca' 'Klebsiella oxytoca' . . Bacteria . Klebsiella oxytoca . . . . . . . . . . . . . 50966 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50966 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pMalp2 . . . 50966 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50966 _Sample.ID 1 _Sample.Name 'PulL 400uM, in Hepes 50mM pH6.5, NaCl, 50 mM' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PulL CTD' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 450 . . uM . . . . 50966 1 2 Hepes 'natural abundance' . . . . . . 50 . . mM . . . . 50966 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 50966 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50966 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'HEPES 50mM, pH 6.5, NaCl 50mM' _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 6.5 . pH 50966 1 pressure 1 . atm 50966 1 temperature 298 . K 50966 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50966 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50966 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50966 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Avance III HD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50966 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50966 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50966 1 3 '3D CBCACONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50966 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50966 1 5 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50966 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50966 1 7 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50966 1 8 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50966 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50966 1 10 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50966 1 11 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50966 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50966 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name PulL _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50966 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50966 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50966 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50966 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name PulL _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50966 1 2 '2D 1H-13C HMQC' . . . 50966 1 3 '3D CBCACONH' . . . 50966 1 4 '3D HNCA' . . . 50966 1 5 '3D C(CO)NH' . . . 50966 1 7 '3D HNCO' . . . 50966 1 8 '3D HN(CO)CA' . . . 50966 1 9 '3D HCCH-TOCSY' . . . 50966 1 10 '3D H(CCO)NH' . . . 50966 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50966 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ASN HA H 1 4.743 0.000 . 1 . . . . . 312 ASN HA . 50966 1 2 . 1 . 1 2 2 ASN HB2 H 1 2.824 0.000 . 1 . . . . . 312 ASN HB2 . 50966 1 3 . 1 . 1 2 2 ASN HD21 H 1 7.639 0.018 . 1 . . . . . 312 ASN HD21 . 50966 1 4 . 1 . 1 2 2 ASN HD22 H 1 6.982 0.000 . 1 . . . . . 312 ASN HD22 . 50966 1 5 . 1 . 1 2 2 ASN C C 13 175.140 0.000 . 1 . . . . . 312 ASN C . 50966 1 6 . 1 . 1 2 2 ASN CA C 13 53.131 0.067 . 1 . . . . . 312 ASN CA . 50966 1 7 . 1 . 1 2 2 ASN CB C 13 38.892 0.000 . 1 . . . . . 312 ASN CB . 50966 1 8 . 1 . 1 2 2 ASN ND2 N 15 113.119 0.083 . 1 . . . . . 312 ASN ND2 . 50966 1 9 . 1 . 1 3 3 ALA H H 1 8.459 0.020 . 1 . . . . . 313 ALA H . 50966 1 10 . 1 . 1 3 3 ALA HA H 1 4.298 0.010 . 1 . . . . . 313 ALA HA . 50966 1 11 . 1 . 1 3 3 ALA HB1 H 1 1.385 0.017 . 1 . . . . . 313 ALA HB1 . 50966 1 12 . 1 . 1 3 3 ALA HB2 H 1 1.385 0.017 . 1 . . . . . 313 ALA HB2 . 50966 1 13 . 1 . 1 3 3 ALA HB3 H 1 1.385 0.017 . 1 . . . . . 313 ALA HB3 . 50966 1 14 . 1 . 1 3 3 ALA C C 13 178.194 0.000 . 1 . . . . . 313 ALA C . 50966 1 15 . 1 . 1 3 3 ALA CA C 13 53.072 0.000 . 1 . . . . . 313 ALA CA . 50966 1 16 . 1 . 1 3 3 ALA CB C 13 18.985 0.022 . 1 . . . . . 313 ALA CB . 50966 1 17 . 1 . 1 3 3 ALA N N 15 124.948 0.045 . 1 . . . . . 313 ALA N . 50966 1 18 . 1 . 1 4 4 GLY H H 1 8.354 0.010 . 1 . . . . . 314 GLY H . 50966 1 19 . 1 . 1 4 4 GLY HA2 H 1 4.761 0.000 . 2 . . . . . 314 GLY HA2 . 50966 1 20 . 1 . 1 4 4 GLY HA3 H 1 3.908 0.007 . 2 . . . . . 314 GLY HA3 . 50966 1 21 . 1 . 1 4 4 GLY C C 13 173.797 0.011 . 1 . . . . . 314 GLY C . 50966 1 22 . 1 . 1 4 4 GLY CA C 13 45.161 0.003 . 1 . . . . . 314 GLY CA . 50966 1 23 . 1 . 1 4 4 GLY N N 15 107.956 0.044 . 1 . . . . . 314 GLY N . 50966 1 24 . 1 . 1 5 5 ALA H H 1 8.019 0.009 . 1 . . . . . 315 ALA H . 50966 1 25 . 1 . 1 5 5 ALA HA H 1 4.309 0.002 . 1 . . . . . 315 ALA HA . 50966 1 26 . 1 . 1 5 5 ALA HB1 H 1 1.365 0.005 . 1 . . . . . 315 ALA HB1 . 50966 1 27 . 1 . 1 5 5 ALA HB2 H 1 1.365 0.005 . 1 . . . . . 315 ALA HB2 . 50966 1 28 . 1 . 1 5 5 ALA HB3 H 1 1.365 0.005 . 1 . . . . . 315 ALA HB3 . 50966 1 29 . 1 . 1 5 5 ALA C C 13 177.613 0.014 . 1 . . . . . 315 ALA C . 50966 1 30 . 1 . 1 5 5 ALA CA C 13 52.329 0.017 . 1 . . . . . 315 ALA CA . 50966 1 31 . 1 . 1 5 5 ALA CB C 13 19.403 0.052 . 1 . . . . . 315 ALA CB . 50966 1 32 . 1 . 1 5 5 ALA N N 15 123.493 0.029 . 1 . . . . . 315 ALA N . 50966 1 33 . 1 . 1 6 6 ARG H H 1 8.328 0.007 . 1 . . . . . 316 ARG H . 50966 1 34 . 1 . 1 6 6 ARG HA H 1 4.604 0.007 . 1 . . . . . 316 ARG HA . 50966 1 35 . 1 . 1 6 6 ARG HB2 H 1 1.841 0.000 . 2 . . . . . 316 ARG HB2 . 50966 1 36 . 1 . 1 6 6 ARG HB3 H 1 1.787 0.000 . 2 . . . . . 316 ARG HB3 . 50966 1 37 . 1 . 1 6 6 ARG HG2 H 1 1.712 0.000 . 2 . . . . . 316 ARG HG2 . 50966 1 38 . 1 . 1 6 6 ARG HG3 H 1 1.840 0.000 . 2 . . . . . 316 ARG HG3 . 50966 1 39 . 1 . 1 6 6 ARG HD2 H 1 3.173 0.000 . 2 . . . . . 316 ARG HD2 . 50966 1 40 . 1 . 1 6 6 ARG HD3 H 1 3.219 0.000 . 2 . . . . . 316 ARG HD3 . 50966 1 41 . 1 . 1 6 6 ARG C C 13 174.174 0.013 . 1 . . . . . 316 ARG C . 50966 1 42 . 1 . 1 6 6 ARG CA C 13 53.910 0.067 . 1 . . . . . 316 ARG CA . 50966 1 43 . 1 . 1 6 6 ARG CB C 13 30.150 0.000 . 1 . . . . . 316 ARG CB . 50966 1 44 . 1 . 1 6 6 ARG CG C 13 27.173 0.077 . 1 . . . . . 316 ARG CG . 50966 1 45 . 1 . 1 6 6 ARG CD C 13 43.454 0.000 . 1 . . . . . 316 ARG CD . 50966 1 46 . 1 . 1 6 6 ARG N N 15 121.415 0.018 . 1 . . . . . 316 ARG N . 50966 1 47 . 1 . 1 7 7 PRO HA H 1 4.384 0.001 . 1 . . . . . 317 PRO HA . 50966 1 48 . 1 . 1 7 7 PRO HB2 H 1 1.777 0.009 . 2 . . . . . 317 PRO HB2 . 50966 1 49 . 1 . 1 7 7 PRO HB3 H 1 2.288 0.011 . 2 . . . . . 317 PRO HB3 . 50966 1 50 . 1 . 1 7 7 PRO HG2 H 1 1.992 0.012 . 2 . . . . . 317 PRO HG2 . 50966 1 51 . 1 . 1 7 7 PRO HG3 H 1 1.771 0.000 . 2 . . . . . 317 PRO HG3 . 50966 1 52 . 1 . 1 7 7 PRO HD2 H 1 3.792 0.003 . 2 . . . . . 317 PRO HD2 . 50966 1 53 . 1 . 1 7 7 PRO HD3 H 1 3.593 0.000 . 2 . . . . . 317 PRO HD3 . 50966 1 54 . 1 . 1 7 7 PRO C C 13 177.059 0.000 . 1 . . . . . 317 PRO C . 50966 1 55 . 1 . 1 7 7 PRO CA C 13 63.053 0.030 . 1 . . . . . 317 PRO CA . 50966 1 56 . 1 . 1 7 7 PRO CB C 13 32.104 0.044 . 1 . . . . . 317 PRO CB . 50966 1 57 . 1 . 1 7 7 PRO CG C 13 27.590 0.043 . 1 . . . . . 317 PRO CG . 50966 1 58 . 1 . 1 7 7 PRO CD C 13 50.649 0.040 . 1 . . . . . 317 PRO CD . 50966 1 59 . 1 . 1 8 8 ALA H H 1 8.700 0.005 . 1 . . . . . 318 ALA H . 50966 1 60 . 1 . 1 8 8 ALA HA H 1 4.761 0.000 . 1 . . . . . 318 ALA HA . 50966 1 61 . 1 . 1 8 8 ALA HB1 H 1 1.469 0.003 . 1 . . . . . 318 ALA HB1 . 50966 1 62 . 1 . 1 8 8 ALA HB2 H 1 1.469 0.003 . 1 . . . . . 318 ALA HB2 . 50966 1 63 . 1 . 1 8 8 ALA HB3 H 1 1.469 0.003 . 1 . . . . . 318 ALA HB3 . 50966 1 64 . 1 . 1 8 8 ALA C C 13 180.251 0.013 . 1 . . . . . 318 ALA C . 50966 1 65 . 1 . 1 8 8 ALA CA C 13 52.304 0.029 . 1 . . . . . 318 ALA CA . 50966 1 66 . 1 . 1 8 8 ALA CB C 13 19.445 0.056 . 1 . . . . . 318 ALA CB . 50966 1 67 . 1 . 1 8 8 ALA N N 15 125.860 0.026 . 1 . . . . . 318 ALA N . 50966 1 68 . 1 . 1 9 9 LEU H H 1 9.494 0.014 . 1 . . . . . 319 LEU H . 50966 1 69 . 1 . 1 9 9 LEU HA H 1 3.972 0.000 . 1 . . . . . 319 LEU HA . 50966 1 70 . 1 . 1 9 9 LEU HD11 H 1 0.708 0.000 . 1 . . . . . 319 LEU HD11 . 50966 1 71 . 1 . 1 9 9 LEU HD12 H 1 0.708 0.000 . 1 . . . . . 319 LEU HD12 . 50966 1 72 . 1 . 1 9 9 LEU HD13 H 1 0.708 0.000 . 1 . . . . . 319 LEU HD13 . 50966 1 73 . 1 . 1 9 9 LEU CA C 13 57.785 0.054 . 1 . . . . . 319 LEU CA . 50966 1 74 . 1 . 1 9 9 LEU CB C 13 41.423 0.000 . 1 . . . . . 319 LEU CB . 50966 1 75 . 1 . 1 9 9 LEU CD1 C 13 25.776 0.000 . 1 . . . . . 319 LEU CD1 . 50966 1 76 . 1 . 1 9 9 LEU N N 15 124.405 0.042 . 1 . . . . . 319 LEU N . 50966 1 77 . 1 . 1 10 10 ILE HA H 1 3.609 0.000 . 1 . . . . . 320 ILE HA . 50966 1 78 . 1 . 1 10 10 ILE HB H 1 1.776 0.000 . 1 . . . . . 320 ILE HB . 50966 1 79 . 1 . 1 10 10 ILE HG12 H 1 1.413 0.000 . 1 . . . . . 320 ILE HG12 . 50966 1 80 . 1 . 1 10 10 ILE HG21 H 1 0.688 0.000 . 1 . . . . . 320 ILE HG21 . 50966 1 81 . 1 . 1 10 10 ILE HG22 H 1 0.688 0.000 . 1 . . . . . 320 ILE HG22 . 50966 1 82 . 1 . 1 10 10 ILE HG23 H 1 0.688 0.000 . 1 . . . . . 320 ILE HG23 . 50966 1 83 . 1 . 1 10 10 ILE C C 13 176.410 0.000 . 1 . . . . . 320 ILE C . 50966 1 84 . 1 . 1 10 10 ILE CA C 13 62.345 0.000 . 1 . . . . . 320 ILE CA . 50966 1 85 . 1 . 1 10 10 ILE CB C 13 41.229 0.000 . 1 . . . . . 320 ILE CB . 50966 1 86 . 1 . 1 11 11 SER H H 1 7.807 0.009 . 1 . . . . . 321 SER H . 50966 1 87 . 1 . 1 11 11 SER HA H 1 4.337 0.015 . 1 . . . . . 321 SER HA . 50966 1 88 . 1 . 1 11 11 SER HB2 H 1 3.981 0.015 . 2 . . . . . 321 SER HB2 . 50966 1 89 . 1 . 1 11 11 SER HB3 H 1 4.721 0.000 . 2 . . . . . 321 SER HB3 . 50966 1 90 . 1 . 1 11 11 SER HG H 1 6.953 0.000 . 1 . . . . . 321 SER HG . 50966 1 91 . 1 . 1 11 11 SER C C 13 175.586 0.002 . 1 . . . . . 321 SER C . 50966 1 92 . 1 . 1 11 11 SER CA C 13 60.500 0.068 . 1 . . . . . 321 SER CA . 50966 1 93 . 1 . 1 11 11 SER CB C 13 63.314 0.075 . 1 . . . . . 321 SER CB . 50966 1 94 . 1 . 1 11 11 SER N N 15 116.692 0.023 . 1 . . . . . 321 SER N . 50966 1 95 . 1 . 1 12 12 ARG H H 1 7.917 0.005 . 1 . . . . . 322 ARG H . 50966 1 96 . 1 . 1 12 12 ARG HA H 1 4.608 0.001 . 1 . . . . . 322 ARG HA . 50966 1 97 . 1 . 1 12 12 ARG HB2 H 1 1.847 0.009 . 2 . . . . . 322 ARG HB2 . 50966 1 98 . 1 . 1 12 12 ARG HB3 H 1 2.193 0.000 . 2 . . . . . 322 ARG HB3 . 50966 1 99 . 1 . 1 12 12 ARG HD2 H 1 3.055 0.000 . 1 . . . . . 322 ARG HD2 . 50966 1 100 . 1 . 1 12 12 ARG C C 13 176.906 0.006 . 1 . . . . . 322 ARG C . 50966 1 101 . 1 . 1 12 12 ARG CA C 13 56.115 0.043 . 1 . . . . . 322 ARG CA . 50966 1 102 . 1 . 1 12 12 ARG CB C 13 30.092 0.031 . 1 . . . . . 322 ARG CB . 50966 1 103 . 1 . 1 12 12 ARG CG C 13 27.495 0.000 . 1 . . . . . 322 ARG CG . 50966 1 104 . 1 . 1 12 12 ARG N N 15 120.754 0.041 . 1 . . . . . 322 ARG N . 50966 1 105 . 1 . 1 13 13 LEU H H 1 7.684 0.007 . 1 . . . . . 323 LEU H . 50966 1 106 . 1 . 1 13 13 LEU HD11 H 1 0.792 0.000 . 1 . . . . . 323 LEU HD11 . 50966 1 107 . 1 . 1 13 13 LEU HD12 H 1 0.792 0.000 . 1 . . . . . 323 LEU HD12 . 50966 1 108 . 1 . 1 13 13 LEU HD13 H 1 0.792 0.000 . 1 . . . . . 323 LEU HD13 . 50966 1 109 . 1 . 1 13 13 LEU C C 13 178.812 0.000 . 1 . . . . . 323 LEU C . 50966 1 110 . 1 . 1 13 13 LEU CA C 13 57.585 0.014 . 1 . . . . . 323 LEU CA . 50966 1 111 . 1 . 1 13 13 LEU CB C 13 41.326 0.000 . 1 . . . . . 323 LEU CB . 50966 1 112 . 1 . 1 13 13 LEU CD1 C 13 22.889 0.000 . 1 . . . . . 323 LEU CD1 . 50966 1 113 . 1 . 1 13 13 LEU N N 15 119.101 0.057 . 1 . . . . . 323 LEU N . 50966 1 114 . 1 . 1 14 14 GLY H H 1 8.710 0.014 . 1 . . . . . 324 GLY H . 50966 1 115 . 1 . 1 14 14 GLY HA2 H 1 3.851 0.016 . 2 . . . . . 324 GLY HA2 . 50966 1 116 . 1 . 1 14 14 GLY HA3 H 1 3.754 0.002 . 2 . . . . . 324 GLY HA3 . 50966 1 117 . 1 . 1 14 14 GLY C C 13 176.530 0.001 . 1 . . . . . 324 GLY C . 50966 1 118 . 1 . 1 14 14 GLY CA C 13 47.211 0.036 . 1 . . . . . 324 GLY CA . 50966 1 119 . 1 . 1 14 14 GLY N N 15 108.574 0.022 . 1 . . . . . 324 GLY N . 50966 1 120 . 1 . 1 15 15 ALA H H 1 7.775 0.009 . 1 . . . . . 325 ALA H . 50966 1 121 . 1 . 1 15 15 ALA HA H 1 4.229 0.003 . 1 . . . . . 325 ALA HA . 50966 1 122 . 1 . 1 15 15 ALA HB1 H 1 1.470 0.020 . 1 . . . . . 325 ALA HB1 . 50966 1 123 . 1 . 1 15 15 ALA HB2 H 1 1.470 0.020 . 1 . . . . . 325 ALA HB2 . 50966 1 124 . 1 . 1 15 15 ALA HB3 H 1 1.470 0.020 . 1 . . . . . 325 ALA HB3 . 50966 1 125 . 1 . 1 15 15 ALA C C 13 180.293 0.011 . 1 . . . . . 325 ALA C . 50966 1 126 . 1 . 1 15 15 ALA CA C 13 54.467 0.032 . 1 . . . . . 325 ALA CA . 50966 1 127 . 1 . 1 15 15 ALA CB C 13 18.124 0.016 . 1 . . . . . 325 ALA CB . 50966 1 128 . 1 . 1 15 15 ALA N N 15 124.291 0.033 . 1 . . . . . 325 ALA N . 50966 1 129 . 1 . 1 16 16 LEU H H 1 7.688 0.007 . 1 . . . . . 326 LEU H . 50966 1 130 . 1 . 1 16 16 LEU HA H 1 4.169 0.007 . 1 . . . . . 326 LEU HA . 50966 1 131 . 1 . 1 16 16 LEU HB2 H 1 1.442 0.014 . 2 . . . . . 326 LEU HB2 . 50966 1 132 . 1 . 1 16 16 LEU HB3 H 1 2.077 0.008 . 2 . . . . . 326 LEU HB3 . 50966 1 133 . 1 . 1 16 16 LEU HG H 1 1.417 0.000 . 1 . . . . . 326 LEU HG . 50966 1 134 . 1 . 1 16 16 LEU HD11 H 1 0.791 0.000 . 1 . . . . . 326 LEU HD11 . 50966 1 135 . 1 . 1 16 16 LEU HD12 H 1 0.791 0.000 . 1 . . . . . 326 LEU HD12 . 50966 1 136 . 1 . 1 16 16 LEU HD13 H 1 0.791 0.000 . 1 . . . . . 326 LEU HD13 . 50966 1 137 . 1 . 1 16 16 LEU C C 13 177.681 0.012 . 1 . . . . . 326 LEU C . 50966 1 138 . 1 . 1 16 16 LEU CA C 13 57.534 0.051 . 1 . . . . . 326 LEU CA . 50966 1 139 . 1 . 1 16 16 LEU CB C 13 41.611 0.046 . 1 . . . . . 326 LEU CB . 50966 1 140 . 1 . 1 16 16 LEU CG C 13 26.988 0.000 . 1 . . . . . 326 LEU CG . 50966 1 141 . 1 . 1 16 16 LEU CD1 C 13 23.152 0.000 . 1 . . . . . 326 LEU CD1 . 50966 1 142 . 1 . 1 16 16 LEU N N 15 117.884 0.025 . 1 . . . . . 326 LEU N . 50966 1 143 . 1 . 1 17 17 GLN H H 1 8.488 0.008 . 1 . . . . . 327 GLN H . 50966 1 144 . 1 . 1 17 17 GLN HA H 1 3.777 0.005 . 1 . . . . . 327 GLN HA . 50966 1 145 . 1 . 1 17 17 GLN HB2 H 1 2.109 0.000 . 2 . . . . . 327 GLN HB2 . 50966 1 146 . 1 . 1 17 17 GLN HB3 H 1 2.144 0.000 . 2 . . . . . 327 GLN HB3 . 50966 1 147 . 1 . 1 17 17 GLN HG2 H 1 2.288 0.015 . 2 . . . . . 327 GLN HG2 . 50966 1 148 . 1 . 1 17 17 GLN HG3 H 1 2.353 0.000 . 2 . . . . . 327 GLN HG3 . 50966 1 149 . 1 . 1 17 17 GLN HE21 H 1 7.571 0.012 . 1 . . . . . 327 GLN HE21 . 50966 1 150 . 1 . 1 17 17 GLN HE22 H 1 6.841 0.000 . 1 . . . . . 327 GLN HE22 . 50966 1 151 . 1 . 1 17 17 GLN C C 13 177.262 0.019 . 1 . . . . . 327 GLN C . 50966 1 152 . 1 . 1 17 17 GLN CA C 13 58.673 0.059 . 1 . . . . . 327 GLN CA . 50966 1 153 . 1 . 1 17 17 GLN CB C 13 28.303 0.000 . 1 . . . . . 327 GLN CB . 50966 1 154 . 1 . 1 17 17 GLN CG C 13 33.633 0.071 . 1 . . . . . 327 GLN CG . 50966 1 155 . 1 . 1 17 17 GLN N N 15 118.658 0.056 . 1 . . . . . 327 GLN N . 50966 1 156 . 1 . 1 17 17 GLN NE2 N 15 111.791 0.005 . 1 . . . . . 327 GLN NE2 . 50966 1 157 . 1 . 1 18 18 GLN H H 1 7.686 0.008 . 1 . . . . . 328 GLN H . 50966 1 158 . 1 . 1 18 18 GLN HA H 1 4.039 0.008 . 1 . . . . . 328 GLN HA . 50966 1 159 . 1 . 1 18 18 GLN HB2 H 1 2.166 0.014 . 2 . . . . . 328 GLN HB2 . 50966 1 160 . 1 . 1 18 18 GLN HB3 H 1 1.937 0.000 . 2 . . . . . 328 GLN HB3 . 50966 1 161 . 1 . 1 18 18 GLN HG2 H 1 2.453 0.000 . 1 . . . . . 328 GLN HG2 . 50966 1 162 . 1 . 1 18 18 GLN HE21 H 1 7.823 0.001 . 1 . . . . . 328 GLN HE21 . 50966 1 163 . 1 . 1 18 18 GLN HE22 H 1 6.850 0.000 . 1 . . . . . 328 GLN HE22 . 50966 1 164 . 1 . 1 18 18 GLN C C 13 177.620 0.020 . 1 . . . . . 328 GLN C . 50966 1 165 . 1 . 1 18 18 GLN CA C 13 58.971 0.044 . 1 . . . . . 328 GLN CA . 50966 1 166 . 1 . 1 18 18 GLN CB C 13 28.450 0.013 . 1 . . . . . 328 GLN CB . 50966 1 167 . 1 . 1 18 18 GLN CG C 13 33.815 0.000 . 1 . . . . . 328 GLN CG . 50966 1 168 . 1 . 1 18 18 GLN N N 15 117.182 0.038 . 1 . . . . . 328 GLN N . 50966 1 169 . 1 . 1 18 18 GLN NE2 N 15 114.582 0.013 . 1 . . . . . 328 GLN NE2 . 50966 1 170 . 1 . 1 19 19 ILE H H 1 7.436 0.007 . 1 . . . . . 329 ILE H . 50966 1 171 . 1 . 1 19 19 ILE HA H 1 3.828 0.011 . 1 . . . . . 329 ILE HA . 50966 1 172 . 1 . 1 19 19 ILE HB H 1 1.924 0.017 . 1 . . . . . 329 ILE HB . 50966 1 173 . 1 . 1 19 19 ILE HG12 H 1 1.185 0.000 . 1 . . . . . 329 ILE HG12 . 50966 1 174 . 1 . 1 19 19 ILE HD11 H 1 0.784 0.000 . 1 . . . . . 329 ILE HD11 . 50966 1 175 . 1 . 1 19 19 ILE HD12 H 1 0.784 0.000 . 1 . . . . . 329 ILE HD12 . 50966 1 176 . 1 . 1 19 19 ILE HD13 H 1 0.784 0.000 . 1 . . . . . 329 ILE HD13 . 50966 1 177 . 1 . 1 19 19 ILE C C 13 178.836 0.009 . 1 . . . . . 329 ILE C . 50966 1 178 . 1 . 1 19 19 ILE CA C 13 65.497 0.038 . 1 . . . . . 329 ILE CA . 50966 1 179 . 1 . 1 19 19 ILE CB C 13 38.356 0.069 . 1 . . . . . 329 ILE CB . 50966 1 180 . 1 . 1 19 19 ILE CG1 C 13 28.620 0.000 . 1 . . . . . 329 ILE CG1 . 50966 1 181 . 1 . 1 19 19 ILE CG2 C 13 19.172 0.000 . 1 . . . . . 329 ILE CG2 . 50966 1 182 . 1 . 1 19 19 ILE N N 15 116.179 0.026 . 1 . . . . . 329 ILE N . 50966 1 183 . 1 . 1 20 20 ILE H H 1 8.081 0.010 . 1 . . . . . 330 ILE H . 50966 1 184 . 1 . 1 20 20 ILE HA H 1 3.621 0.011 . 1 . . . . . 330 ILE HA . 50966 1 185 . 1 . 1 20 20 ILE HB H 1 2.016 0.009 . 1 . . . . . 330 ILE HB . 50966 1 186 . 1 . 1 20 20 ILE HG21 H 1 0.842 0.005 . 1 . . . . . 330 ILE HG21 . 50966 1 187 . 1 . 1 20 20 ILE HG22 H 1 0.842 0.005 . 1 . . . . . 330 ILE HG22 . 50966 1 188 . 1 . 1 20 20 ILE HG23 H 1 0.842 0.005 . 1 . . . . . 330 ILE HG23 . 50966 1 189 . 1 . 1 20 20 ILE HD11 H 1 0.720 0.003 . 1 . . . . . 330 ILE HD11 . 50966 1 190 . 1 . 1 20 20 ILE HD12 H 1 0.720 0.003 . 1 . . . . . 330 ILE HD12 . 50966 1 191 . 1 . 1 20 20 ILE HD13 H 1 0.720 0.003 . 1 . . . . . 330 ILE HD13 . 50966 1 192 . 1 . 1 20 20 ILE C C 13 178.138 0.004 . 1 . . . . . 330 ILE C . 50966 1 193 . 1 . 1 20 20 ILE CA C 13 66.505 0.023 . 1 . . . . . 330 ILE CA . 50966 1 194 . 1 . 1 20 20 ILE CB C 13 37.847 0.048 . 1 . . . . . 330 ILE CB . 50966 1 195 . 1 . 1 20 20 ILE CG1 C 13 30.309 0.000 . 1 . . . . . 330 ILE CG1 . 50966 1 196 . 1 . 1 20 20 ILE CG2 C 13 17.313 0.000 . 1 . . . . . 330 ILE CG2 . 50966 1 197 . 1 . 1 20 20 ILE CD1 C 13 13.774 0.000 . 1 . . . . . 330 ILE CD1 . 50966 1 198 . 1 . 1 20 20 ILE N N 15 121.729 0.054 . 1 . . . . . 330 ILE N . 50966 1 199 . 1 . 1 21 21 ASP H H 1 8.628 0.007 . 1 . . . . . 331 ASP H . 50966 1 200 . 1 . 1 21 21 ASP HA H 1 4.315 0.003 . 1 . . . . . 331 ASP HA . 50966 1 201 . 1 . 1 21 21 ASP HB2 H 1 2.719 0.000 . 1 . . . . . 331 ASP HB2 . 50966 1 202 . 1 . 1 21 21 ASP C C 13 178.142 0.027 . 1 . . . . . 331 ASP C . 50966 1 203 . 1 . 1 21 21 ASP CA C 13 57.307 0.032 . 1 . . . . . 331 ASP CA . 50966 1 204 . 1 . 1 21 21 ASP CB C 13 40.154 0.058 . 1 . . . . . 331 ASP CB . 50966 1 205 . 1 . 1 21 21 ASP N N 15 120.063 0.018 . 1 . . . . . 331 ASP N . 50966 1 206 . 1 . 1 22 22 ASP H H 1 7.958 0.007 . 1 . . . . . 332 ASP H . 50966 1 207 . 1 . 1 22 22 ASP HA H 1 4.708 0.004 . 1 . . . . . 332 ASP HA . 50966 1 208 . 1 . 1 22 22 ASP HB2 H 1 2.768 0.010 . 1 . . . . . 332 ASP HB2 . 50966 1 209 . 1 . 1 22 22 ASP C C 13 175.902 0.007 . 1 . . . . . 332 ASP C . 50966 1 210 . 1 . 1 22 22 ASP CA C 13 54.750 0.031 . 1 . . . . . 332 ASP CA . 50966 1 211 . 1 . 1 22 22 ASP CB C 13 42.031 0.000 . 1 . . . . . 332 ASP CB . 50966 1 212 . 1 . 1 22 22 ASP N N 15 117.218 0.029 . 1 . . . . . 332 ASP N . 50966 1 213 . 1 . 1 23 23 THR H H 1 7.756 0.006 . 1 . . . . . 333 THR H . 50966 1 214 . 1 . 1 23 23 THR HA H 1 4.646 0.000 . 1 . . . . . 333 THR HA . 50966 1 215 . 1 . 1 23 23 THR HB H 1 4.327 0.005 . 1 . . . . . 333 THR HB . 50966 1 216 . 1 . 1 23 23 THR HG1 H 1 6.370 0.000 . 1 . . . . . 333 THR HG1 . 50966 1 217 . 1 . 1 23 23 THR HG21 H 1 1.273 0.000 . 1 . . . . . 333 THR HG21 . 50966 1 218 . 1 . 1 23 23 THR HG22 H 1 1.273 0.000 . 1 . . . . . 333 THR HG22 . 50966 1 219 . 1 . 1 23 23 THR HG23 H 1 1.273 0.000 . 1 . . . . . 333 THR HG23 . 50966 1 220 . 1 . 1 23 23 THR C C 13 170.721 0.028 . 1 . . . . . 333 THR C . 50966 1 221 . 1 . 1 23 23 THR CA C 13 59.656 0.026 . 1 . . . . . 333 THR CA . 50966 1 222 . 1 . 1 23 23 THR CB C 13 69.322 0.026 . 1 . . . . . 333 THR CB . 50966 1 223 . 1 . 1 23 23 THR CG2 C 13 21.952 0.000 . 1 . . . . . 333 THR CG2 . 50966 1 224 . 1 . 1 23 23 THR N N 15 118.110 0.025 . 1 . . . . . 333 THR N . 50966 1 225 . 1 . 1 24 24 PRO HA H 1 4.406 0.000 . 1 . . . . . 334 PRO HA . 50966 1 226 . 1 . 1 24 24 PRO HB2 H 1 2.331 0.018 . 2 . . . . . 334 PRO HB2 . 50966 1 227 . 1 . 1 24 24 PRO HB3 H 1 1.855 0.003 . 2 . . . . . 334 PRO HB3 . 50966 1 228 . 1 . 1 24 24 PRO HD2 H 1 3.844 0.000 . 2 . . . . . 334 PRO HD2 . 50966 1 229 . 1 . 1 24 24 PRO HD3 H 1 3.760 0.000 . 2 . . . . . 334 PRO HD3 . 50966 1 230 . 1 . 1 24 24 PRO C C 13 177.841 0.023 . 1 . . . . . 334 PRO C . 50966 1 231 . 1 . 1 24 24 PRO CA C 13 63.426 0.004 . 1 . . . . . 334 PRO CA . 50966 1 232 . 1 . 1 24 24 PRO CB C 13 31.820 0.063 . 1 . . . . . 334 PRO CB . 50966 1 233 . 1 . 1 24 24 PRO CG C 13 27.722 0.000 . 1 . . . . . 334 PRO CG . 50966 1 234 . 1 . 1 24 24 PRO CD C 13 50.927 0.028 . 1 . . . . . 334 PRO CD . 50966 1 235 . 1 . 1 25 25 GLY H H 1 8.657 0.007 . 1 . . . . . 335 GLY H . 50966 1 236 . 1 . 1 25 25 GLY HA2 H 1 3.758 0.012 . 2 . . . . . 335 GLY HA2 . 50966 1 237 . 1 . 1 25 25 GLY HA3 H 1 4.174 0.014 . 2 . . . . . 335 GLY HA3 . 50966 1 238 . 1 . 1 25 25 GLY C C 13 173.672 0.015 . 1 . . . . . 335 GLY C . 50966 1 239 . 1 . 1 25 25 GLY CA C 13 45.810 0.014 . 1 . . . . . 335 GLY CA . 50966 1 240 . 1 . 1 25 25 GLY N N 15 108.276 0.035 . 1 . . . . . 335 GLY N . 50966 1 241 . 1 . 1 26 26 ILE H H 1 7.465 0.005 . 1 . . . . . 336 ILE H . 50966 1 242 . 1 . 1 26 26 ILE HA H 1 4.901 0.000 . 1 . . . . . 336 ILE HA . 50966 1 243 . 1 . 1 26 26 ILE HB H 1 1.953 0.012 . 1 . . . . . 336 ILE HB . 50966 1 244 . 1 . 1 26 26 ILE HG12 H 1 1.424 0.000 . 2 . . . . . 336 ILE HG12 . 50966 1 245 . 1 . 1 26 26 ILE HG13 H 1 1.413 0.000 . 2 . . . . . 336 ILE HG13 . 50966 1 246 . 1 . 1 26 26 ILE C C 13 174.849 0.009 . 1 . . . . . 336 ILE C . 50966 1 247 . 1 . 1 26 26 ILE CA C 13 57.298 0.028 . 1 . . . . . 336 ILE CA . 50966 1 248 . 1 . 1 26 26 ILE CB C 13 38.236 0.028 . 1 . . . . . 336 ILE CB . 50966 1 249 . 1 . 1 26 26 ILE CG1 C 13 26.844 0.000 . 1 . . . . . 336 ILE CG1 . 50966 1 250 . 1 . 1 26 26 ILE CG2 C 13 17.496 0.000 . 1 . . . . . 336 ILE CG2 . 50966 1 251 . 1 . 1 26 26 ILE N N 15 117.838 0.019 . 1 . . . . . 336 ILE N . 50966 1 252 . 1 . 1 27 27 ARG H H 1 8.745 0.005 . 1 . . . . . 337 ARG H . 50966 1 253 . 1 . 1 27 27 ARG HA H 1 4.573 0.006 . 1 . . . . . 337 ARG HA . 50966 1 254 . 1 . 1 27 27 ARG HB2 H 1 1.665 0.011 . 1 . . . . . 337 ARG HB2 . 50966 1 255 . 1 . 1 27 27 ARG HG2 H 1 1.480 0.018 . 1 . . . . . 337 ARG HG2 . 50966 1 256 . 1 . 1 27 27 ARG HD2 H 1 3.131 0.007 . 1 . . . . . 337 ARG HD2 . 50966 1 257 . 1 . 1 27 27 ARG C C 13 174.805 0.009 . 1 . . . . . 337 ARG C . 50966 1 258 . 1 . 1 27 27 ARG CA C 13 54.384 0.057 . 1 . . . . . 337 ARG CA . 50966 1 259 . 1 . 1 27 27 ARG CB C 13 33.197 0.035 . 1 . . . . . 337 ARG CB . 50966 1 260 . 1 . 1 27 27 ARG CG C 13 27.222 0.038 . 1 . . . . . 337 ARG CG . 50966 1 261 . 1 . 1 27 27 ARG CD C 13 43.357 0.015 . 1 . . . . . 337 ARG CD . 50966 1 262 . 1 . 1 27 27 ARG N N 15 124.485 0.051 . 1 . . . . . 337 ARG N . 50966 1 263 . 1 . 1 28 28 LEU H H 1 9.057 0.006 . 1 . . . . . 338 LEU H . 50966 1 264 . 1 . 1 28 28 LEU HA H 1 4.350 0.000 . 1 . . . . . 338 LEU HA . 50966 1 265 . 1 . 1 28 28 LEU HB2 H 1 1.319 0.013 . 2 . . . . . 338 LEU HB2 . 50966 1 266 . 1 . 1 28 28 LEU HB3 H 1 1.895 0.010 . 2 . . . . . 338 LEU HB3 . 50966 1 267 . 1 . 1 28 28 LEU HD11 H 1 0.881 0.000 . 1 . . . . . 338 LEU HD11 . 50966 1 268 . 1 . 1 28 28 LEU HD12 H 1 0.881 0.000 . 1 . . . . . 338 LEU HD12 . 50966 1 269 . 1 . 1 28 28 LEU HD13 H 1 0.881 0.000 . 1 . . . . . 338 LEU HD13 . 50966 1 270 . 1 . 1 28 28 LEU C C 13 175.671 0.006 . 1 . . . . . 338 LEU C . 50966 1 271 . 1 . 1 28 28 LEU CA C 13 55.496 0.048 . 1 . . . . . 338 LEU CA . 50966 1 272 . 1 . 1 28 28 LEU CB C 13 43.011 0.017 . 1 . . . . . 338 LEU CB . 50966 1 273 . 1 . 1 28 28 LEU N N 15 126.075 0.041 . 1 . . . . . 338 LEU N . 50966 1 274 . 1 . 1 29 29 ARG H H 1 9.051 0.008 . 1 . . . . . 339 ARG H . 50966 1 275 . 1 . 1 29 29 ARG HA H 1 4.534 0.008 . 1 . . . . . 339 ARG HA . 50966 1 276 . 1 . 1 29 29 ARG HB2 H 1 1.897 0.000 . 1 . . . . . 339 ARG HB2 . 50966 1 277 . 1 . 1 29 29 ARG HG2 H 1 1.651 0.000 . 1 . . . . . 339 ARG HG2 . 50966 1 278 . 1 . 1 29 29 ARG HD2 H 1 3.012 0.000 . 1 . . . . . 339 ARG HD2 . 50966 1 279 . 1 . 1 29 29 ARG C C 13 176.936 0.023 . 1 . . . . . 339 ARG C . 50966 1 280 . 1 . 1 29 29 ARG CA C 13 58.254 0.058 . 1 . . . . . 339 ARG CA . 50966 1 281 . 1 . 1 29 29 ARG CB C 13 31.378 0.000 . 1 . . . . . 339 ARG CB . 50966 1 282 . 1 . 1 29 29 ARG N N 15 125.355 0.047 . 1 . . . . . 339 ARG N . 50966 1 283 . 1 . 1 30 30 THR H H 1 7.938 0.008 . 1 . . . . . 340 THR H . 50966 1 284 . 1 . 1 30 30 THR HA H 1 5.211 0.003 . 1 . . . . . 340 THR HA . 50966 1 285 . 1 . 1 30 30 THR HB H 1 4.281 0.000 . 1 . . . . . 340 THR HB . 50966 1 286 . 1 . 1 30 30 THR HG21 H 1 1.201 0.000 . 1 . . . . . 340 THR HG21 . 50966 1 287 . 1 . 1 30 30 THR HG22 H 1 1.201 0.000 . 1 . . . . . 340 THR HG22 . 50966 1 288 . 1 . 1 30 30 THR HG23 H 1 1.201 0.000 . 1 . . . . . 340 THR HG23 . 50966 1 289 . 1 . 1 30 30 THR C C 13 172.306 0.008 . 1 . . . . . 340 THR C . 50966 1 290 . 1 . 1 30 30 THR CA C 13 60.298 0.010 . 1 . . . . . 340 THR CA . 50966 1 291 . 1 . 1 30 30 THR CB C 13 73.152 0.000 . 1 . . . . . 340 THR CB . 50966 1 292 . 1 . 1 30 30 THR CG2 C 13 22.037 0.000 . 1 . . . . . 340 THR CG2 . 50966 1 293 . 1 . 1 30 30 THR N N 15 109.187 0.017 . 1 . . . . . 340 THR N . 50966 1 294 . 1 . 1 31 31 LEU H H 1 8.659 0.011 . 1 . . . . . 341 LEU H . 50966 1 295 . 1 . 1 31 31 LEU HA H 1 3.946 0.000 . 1 . . . . . 341 LEU HA . 50966 1 296 . 1 . 1 31 31 LEU HB2 H 1 1.767 0.000 . 1 . . . . . 341 LEU HB2 . 50966 1 297 . 1 . 1 31 31 LEU C C 13 174.848 0.000 . 1 . . . . . 341 LEU C . 50966 1 298 . 1 . 1 31 31 LEU CA C 13 54.554 0.073 . 1 . . . . . 341 LEU CA . 50966 1 299 . 1 . 1 31 31 LEU N N 15 121.079 0.035 . 1 . . . . . 341 LEU N . 50966 1 300 . 1 . 1 32 32 SER H H 1 9.374 0.014 . 1 . . . . . 342 SER H . 50966 1 301 . 1 . 1 32 32 SER HB2 H 1 3.932 0.004 . 1 . . . . . 342 SER HB2 . 50966 1 302 . 1 . 1 32 32 SER HG H 1 5.533 0.000 . 1 . . . . . 342 SER HG . 50966 1 303 . 1 . 1 32 32 SER C C 13 172.461 0.027 . 1 . . . . . 342 SER C . 50966 1 304 . 1 . 1 32 32 SER CA C 13 57.360 0.029 . 1 . . . . . 342 SER CA . 50966 1 305 . 1 . 1 32 32 SER CB C 13 65.612 0.022 . 1 . . . . . 342 SER CB . 50966 1 306 . 1 . 1 32 32 SER N N 15 119.928 0.046 . 1 . . . . . 342 SER N . 50966 1 307 . 1 . 1 33 33 PHE H H 1 9.561 0.027 . 1 . . . . . 343 PHE H . 50966 1 308 . 1 . 1 33 33 PHE HB2 H 1 2.895 0.000 . 1 . . . . . 343 PHE HB2 . 50966 1 309 . 1 . 1 33 33 PHE C C 13 175.562 0.000 . 1 . . . . . 343 PHE C . 50966 1 310 . 1 . 1 33 33 PHE CA C 13 55.698 0.000 . 1 . . . . . 343 PHE CA . 50966 1 311 . 1 . 1 33 33 PHE CB C 13 43.139 0.000 . 1 . . . . . 343 PHE CB . 50966 1 312 . 1 . 1 33 33 PHE N N 15 124.483 0.026 . 1 . . . . . 343 PHE N . 50966 1 313 . 1 . 1 34 34 ASP H H 1 7.751 0.011 . 1 . . . . . 344 ASP H . 50966 1 314 . 1 . 1 34 34 ASP HB2 H 1 2.608 0.000 . 1 . . . . . 344 ASP HB2 . 50966 1 315 . 1 . 1 34 34 ASP C C 13 172.598 0.000 . 1 . . . . . 344 ASP C . 50966 1 316 . 1 . 1 34 34 ASP CA C 13 52.174 0.009 . 1 . . . . . 344 ASP CA . 50966 1 317 . 1 . 1 34 34 ASP CB C 13 41.227 0.000 . 1 . . . . . 344 ASP CB . 50966 1 318 . 1 . 1 34 34 ASP N N 15 126.192 0.022 . 1 . . . . . 344 ASP N . 50966 1 319 . 1 . 1 35 35 ALA H H 1 7.803 0.012 . 1 . . . . . 345 ALA H . 50966 1 320 . 1 . 1 35 35 ALA HB1 H 1 1.386 0.000 . 1 . . . . . 345 ALA HB1 . 50966 1 321 . 1 . 1 35 35 ALA HB2 H 1 1.386 0.000 . 1 . . . . . 345 ALA HB2 . 50966 1 322 . 1 . 1 35 35 ALA HB3 H 1 1.386 0.000 . 1 . . . . . 345 ALA HB3 . 50966 1 323 . 1 . 1 35 35 ALA CB C 13 18.843 0.000 . 1 . . . . . 345 ALA CB . 50966 1 324 . 1 . 1 35 35 ALA N N 15 127.853 0.051 . 1 . . . . . 345 ALA N . 50966 1 325 . 1 . 1 36 36 ALA H H 1 8.315 0.000 . 1 . . . . . 346 ALA H . 50966 1 326 . 1 . 1 36 36 ALA HA H 1 4.129 0.010 . 1 . . . . . 346 ALA HA . 50966 1 327 . 1 . 1 36 36 ALA HB1 H 1 1.431 0.013 . 1 . . . . . 346 ALA HB1 . 50966 1 328 . 1 . 1 36 36 ALA HB2 H 1 1.431 0.013 . 1 . . . . . 346 ALA HB2 . 50966 1 329 . 1 . 1 36 36 ALA HB3 H 1 1.431 0.013 . 1 . . . . . 346 ALA HB3 . 50966 1 330 . 1 . 1 36 36 ALA C C 13 179.582 0.035 . 1 . . . . . 346 ALA C . 50966 1 331 . 1 . 1 36 36 ALA CB C 13 18.186 0.000 . 1 . . . . . 346 ALA CB . 50966 1 332 . 1 . 1 37 37 ARG H H 1 7.536 0.008 . 1 . . . . . 347 ARG H . 50966 1 333 . 1 . 1 37 37 ARG HA H 1 4.201 0.014 . 1 . . . . . 347 ARG HA . 50966 1 334 . 1 . 1 37 37 ARG HB2 H 1 1.847 0.004 . 2 . . . . . 347 ARG HB2 . 50966 1 335 . 1 . 1 37 37 ARG HB3 H 1 1.427 0.021 . 2 . . . . . 347 ARG HB3 . 50966 1 336 . 1 . 1 37 37 ARG HG2 H 1 1.604 0.000 . 2 . . . . . 347 ARG HG2 . 50966 1 337 . 1 . 1 37 37 ARG HG3 H 1 1.416 0.000 . 2 . . . . . 347 ARG HG3 . 50966 1 338 . 1 . 1 37 37 ARG HD2 H 1 3.088 0.000 . 2 . . . . . 347 ARG HD2 . 50966 1 339 . 1 . 1 37 37 ARG HD3 H 1 3.075 0.000 . 2 . . . . . 347 ARG HD3 . 50966 1 340 . 1 . 1 37 37 ARG C C 13 176.109 0.036 . 1 . . . . . 347 ARG C . 50966 1 341 . 1 . 1 37 37 ARG CA C 13 55.888 0.055 . 1 . . . . . 347 ARG CA . 50966 1 342 . 1 . 1 37 37 ARG CB C 13 30.910 0.072 . 1 . . . . . 347 ARG CB . 50966 1 343 . 1 . 1 37 37 ARG CG C 13 27.886 0.000 . 1 . . . . . 347 ARG CG . 50966 1 344 . 1 . 1 37 37 ARG N N 15 115.400 0.037 . 1 . . . . . 347 ARG N . 50966 1 345 . 1 . 1 38 38 ASN H H 1 8.103 0.007 . 1 . . . . . 348 ASN H . 50966 1 346 . 1 . 1 38 38 ASN HA H 1 4.756 0.000 . 1 . . . . . 348 ASN HA . 50966 1 347 . 1 . 1 38 38 ASN HB2 H 1 3.432 0.000 . 2 . . . . . 348 ASN HB2 . 50966 1 348 . 1 . 1 38 38 ASN HB3 H 1 2.513 0.000 . 2 . . . . . 348 ASN HB3 . 50966 1 349 . 1 . 1 38 38 ASN HD21 H 1 7.598 0.000 . 1 . . . . . 348 ASN HD21 . 50966 1 350 . 1 . 1 38 38 ASN HD22 H 1 6.928 0.000 . 1 . . . . . 348 ASN HD22 . 50966 1 351 . 1 . 1 38 38 ASN C C 13 172.758 0.003 . 1 . . . . . 348 ASN C . 50966 1 352 . 1 . 1 38 38 ASN CA C 13 53.165 0.008 . 1 . . . . . 348 ASN CA . 50966 1 353 . 1 . 1 38 38 ASN CB C 13 37.271 0.033 . 1 . . . . . 348 ASN CB . 50966 1 354 . 1 . 1 38 38 ASN N N 15 118.990 0.019 . 1 . . . . . 348 ASN N . 50966 1 355 . 1 . 1 38 38 ASN ND2 N 15 109.515 0.000 . 1 . . . . . 348 ASN ND2 . 50966 1 356 . 1 . 1 39 39 ALA H H 1 7.098 0.011 . 1 . . . . . 349 ALA H . 50966 1 357 . 1 . 1 39 39 ALA HA H 1 5.146 0.000 . 1 . . . . . 349 ALA HA . 50966 1 358 . 1 . 1 39 39 ALA HB1 H 1 1.188 0.011 . 1 . . . . . 349 ALA HB1 . 50966 1 359 . 1 . 1 39 39 ALA HB2 H 1 1.188 0.011 . 1 . . . . . 349 ALA HB2 . 50966 1 360 . 1 . 1 39 39 ALA HB3 H 1 1.188 0.011 . 1 . . . . . 349 ALA HB3 . 50966 1 361 . 1 . 1 39 39 ALA C C 13 176.337 0.002 . 1 . . . . . 349 ALA C . 50966 1 362 . 1 . 1 39 39 ALA CA C 13 50.906 0.000 . 1 . . . . . 349 ALA CA . 50966 1 363 . 1 . 1 39 39 ALA CB C 13 23.331 0.000 . 1 . . . . . 349 ALA CB . 50966 1 364 . 1 . 1 39 39 ALA N N 15 116.817 0.017 . 1 . . . . . 349 ALA N . 50966 1 365 . 1 . 1 40 40 LEU H H 1 9.096 0.007 . 1 . . . . . 350 LEU H . 50966 1 366 . 1 . 1 40 40 LEU HA H 1 5.500 0.013 . 1 . . . . . 350 LEU HA . 50966 1 367 . 1 . 1 40 40 LEU HB2 H 1 1.706 0.000 . 1 . . . . . 350 LEU HB2 . 50966 1 368 . 1 . 1 40 40 LEU HG H 1 1.344 0.008 . 1 . . . . . 350 LEU HG . 50966 1 369 . 1 . 1 40 40 LEU HD11 H 1 0.814 0.000 . 2 . . . . . 350 LEU HD11 . 50966 1 370 . 1 . 1 40 40 LEU HD12 H 1 0.814 0.000 . 2 . . . . . 350 LEU HD12 . 50966 1 371 . 1 . 1 40 40 LEU HD13 H 1 0.814 0.000 . 2 . . . . . 350 LEU HD13 . 50966 1 372 . 1 . 1 40 40 LEU HD21 H 1 0.730 0.000 . 2 . . . . . 350 LEU HD21 . 50966 1 373 . 1 . 1 40 40 LEU HD22 H 1 0.730 0.000 . 2 . . . . . 350 LEU HD22 . 50966 1 374 . 1 . 1 40 40 LEU HD23 H 1 0.730 0.000 . 2 . . . . . 350 LEU HD23 . 50966 1 375 . 1 . 1 40 40 LEU C C 13 175.254 0.003 . 1 . . . . . 350 LEU C . 50966 1 376 . 1 . 1 40 40 LEU CA C 13 53.121 0.064 . 1 . . . . . 350 LEU CA . 50966 1 377 . 1 . 1 40 40 LEU CB C 13 45.718 0.030 . 1 . . . . . 350 LEU CB . 50966 1 378 . 1 . 1 40 40 LEU N N 15 122.461 0.036 . 1 . . . . . 350 LEU N . 50966 1 379 . 1 . 1 41 41 GLN H H 1 9.260 0.007 . 1 . . . . . 351 GLN H . 50966 1 380 . 1 . 1 41 41 GLN HA H 1 5.220 0.000 . 1 . . . . . 351 GLN HA . 50966 1 381 . 1 . 1 41 41 GLN HB2 H 1 2.020 0.007 . 2 . . . . . 351 GLN HB2 . 50966 1 382 . 1 . 1 41 41 GLN HB3 H 1 1.593 0.011 . 2 . . . . . 351 GLN HB3 . 50966 1 383 . 1 . 1 41 41 GLN HG2 H 1 2.297 0.000 . 2 . . . . . 351 GLN HG2 . 50966 1 384 . 1 . 1 41 41 GLN HG3 H 1 2.294 0.000 . 2 . . . . . 351 GLN HG3 . 50966 1 385 . 1 . 1 41 41 GLN HE21 H 1 7.477 0.000 . 1 . . . . . 351 GLN HE21 . 50966 1 386 . 1 . 1 41 41 GLN HE22 H 1 6.787 0.000 . 1 . . . . . 351 GLN HE22 . 50966 1 387 . 1 . 1 41 41 GLN C C 13 175.349 0.005 . 1 . . . . . 351 GLN C . 50966 1 388 . 1 . 1 41 41 GLN CA C 13 54.826 0.015 . 1 . . . . . 351 GLN CA . 50966 1 389 . 1 . 1 41 41 GLN CB C 13 30.611 0.063 . 1 . . . . . 351 GLN CB . 50966 1 390 . 1 . 1 41 41 GLN CG C 13 33.891 0.000 . 1 . . . . . 351 GLN CG . 50966 1 391 . 1 . 1 41 41 GLN N N 15 121.998 0.036 . 1 . . . . . 351 GLN N . 50966 1 392 . 1 . 1 41 41 GLN NE2 N 15 111.375 0.023 . 1 . . . . . 351 GLN NE2 . 50966 1 393 . 1 . 1 42 42 LEU H H 1 9.482 0.007 . 1 . . . . . 352 LEU H . 50966 1 394 . 1 . 1 42 42 LEU HA H 1 5.184 0.020 . 1 . . . . . 352 LEU HA . 50966 1 395 . 1 . 1 42 42 LEU HD11 H 1 0.867 0.007 . 1 . . . . . 352 LEU HD11 . 50966 1 396 . 1 . 1 42 42 LEU HD12 H 1 0.867 0.007 . 1 . . . . . 352 LEU HD12 . 50966 1 397 . 1 . 1 42 42 LEU HD13 H 1 0.867 0.007 . 1 . . . . . 352 LEU HD13 . 50966 1 398 . 1 . 1 42 42 LEU C C 13 175.664 0.001 . 1 . . . . . 352 LEU C . 50966 1 399 . 1 . 1 42 42 LEU CA C 13 53.901 0.028 . 1 . . . . . 352 LEU CA . 50966 1 400 . 1 . 1 42 42 LEU CB C 13 45.374 0.021 . 1 . . . . . 352 LEU CB . 50966 1 401 . 1 . 1 42 42 LEU CG C 13 27.951 0.000 . 1 . . . . . 352 LEU CG . 50966 1 402 . 1 . 1 42 42 LEU CD1 C 13 25.859 0.015 . 1 . . . . . 352 LEU CD1 . 50966 1 403 . 1 . 1 42 42 LEU N N 15 125.783 0.022 . 1 . . . . . 352 LEU N . 50966 1 404 . 1 . 1 43 43 GLU H H 1 8.582 0.013 . 1 . . . . . 353 GLU H . 50966 1 405 . 1 . 1 43 43 GLU HA H 1 5.183 0.000 . 1 . . . . . 353 GLU HA . 50966 1 406 . 1 . 1 43 43 GLU HB2 H 1 2.092 0.000 . 1 . . . . . 353 GLU HB2 . 50966 1 407 . 1 . 1 43 43 GLU HG2 H 1 2.187 0.000 . 1 . . . . . 353 GLU HG2 . 50966 1 408 . 1 . 1 43 43 GLU C C 13 176.018 0.008 . 1 . . . . . 353 GLU C . 50966 1 409 . 1 . 1 43 43 GLU CA C 13 55.978 0.039 . 1 . . . . . 353 GLU CA . 50966 1 410 . 1 . 1 43 43 GLU CB C 13 30.852 0.000 . 1 . . . . . 353 GLU CB . 50966 1 411 . 1 . 1 43 43 GLU CG C 13 37.127 0.000 . 1 . . . . . 353 GLU CG . 50966 1 412 . 1 . 1 43 43 GLU N N 15 122.031 0.041 . 1 . . . . . 353 GLU N . 50966 1 413 . 1 . 1 44 44 ILE H H 1 8.941 0.006 . 1 . . . . . 354 ILE H . 50966 1 414 . 1 . 1 44 44 ILE HA H 1 5.142 0.004 . 1 . . . . . 354 ILE HA . 50966 1 415 . 1 . 1 44 44 ILE HB H 1 1.664 0.007 . 1 . . . . . 354 ILE HB . 50966 1 416 . 1 . 1 44 44 ILE HG12 H 1 1.194 0.000 . 1 . . . . . 354 ILE HG12 . 50966 1 417 . 1 . 1 44 44 ILE HG21 H 1 0.777 0.000 . 1 . . . . . 354 ILE HG21 . 50966 1 418 . 1 . 1 44 44 ILE HG22 H 1 0.777 0.000 . 1 . . . . . 354 ILE HG22 . 50966 1 419 . 1 . 1 44 44 ILE HG23 H 1 0.777 0.000 . 1 . . . . . 354 ILE HG23 . 50966 1 420 . 1 . 1 44 44 ILE HD11 H 1 0.630 0.006 . 1 . . . . . 354 ILE HD11 . 50966 1 421 . 1 . 1 44 44 ILE HD12 H 1 0.630 0.006 . 1 . . . . . 354 ILE HD12 . 50966 1 422 . 1 . 1 44 44 ILE HD13 H 1 0.630 0.006 . 1 . . . . . 354 ILE HD13 . 50966 1 423 . 1 . 1 44 44 ILE C C 13 175.273 0.006 . 1 . . . . . 354 ILE C . 50966 1 424 . 1 . 1 44 44 ILE CA C 13 58.366 0.024 . 1 . . . . . 354 ILE CA . 50966 1 425 . 1 . 1 44 44 ILE CB C 13 42.541 0.017 . 1 . . . . . 354 ILE CB . 50966 1 426 . 1 . 1 44 44 ILE CG1 C 13 26.140 0.000 . 1 . . . . . 354 ILE CG1 . 50966 1 427 . 1 . 1 44 44 ILE CG2 C 13 18.951 0.062 . 1 . . . . . 354 ILE CG2 . 50966 1 428 . 1 . 1 44 44 ILE N N 15 119.709 0.045 . 1 . . . . . 354 ILE N . 50966 1 429 . 1 . 1 45 45 SER H H 1 8.988 0.006 . 1 . . . . . 355 SER H . 50966 1 430 . 1 . 1 45 45 SER HA H 1 5.257 0.005 . 1 . . . . . 355 SER HA . 50966 1 431 . 1 . 1 45 45 SER HB2 H 1 3.717 0.001 . 2 . . . . . 355 SER HB2 . 50966 1 432 . 1 . 1 45 45 SER HB3 H 1 3.694 0.008 . 2 . . . . . 355 SER HB3 . 50966 1 433 . 1 . 1 45 45 SER HG H 1 5.495 0.000 . 1 . . . . . 355 SER HG . 50966 1 434 . 1 . 1 45 45 SER C C 13 172.721 0.009 . 1 . . . . . 355 SER C . 50966 1 435 . 1 . 1 45 45 SER CA C 13 57.340 0.021 . 1 . . . . . 355 SER CA . 50966 1 436 . 1 . 1 45 45 SER CB C 13 64.980 0.019 . 1 . . . . . 355 SER CB . 50966 1 437 . 1 . 1 45 45 SER N N 15 118.370 0.028 . 1 . . . . . 355 SER N . 50966 1 438 . 1 . 1 46 46 ALA H H 1 9.356 0.006 . 1 . . . . . 356 ALA H . 50966 1 439 . 1 . 1 46 46 ALA HA H 1 5.629 0.012 . 1 . . . . . 356 ALA HA . 50966 1 440 . 1 . 1 46 46 ALA HB1 H 1 1.285 0.010 . 1 . . . . . 356 ALA HB1 . 50966 1 441 . 1 . 1 46 46 ALA HB2 H 1 1.285 0.010 . 1 . . . . . 356 ALA HB2 . 50966 1 442 . 1 . 1 46 46 ALA HB3 H 1 1.285 0.010 . 1 . . . . . 356 ALA HB3 . 50966 1 443 . 1 . 1 46 46 ALA C C 13 177.768 0.019 . 1 . . . . . 356 ALA C . 50966 1 444 . 1 . 1 46 46 ALA CA C 13 49.376 0.016 . 1 . . . . . 356 ALA CA . 50966 1 445 . 1 . 1 46 46 ALA CB C 13 23.942 0.017 . 1 . . . . . 356 ALA CB . 50966 1 446 . 1 . 1 46 46 ALA N N 15 127.301 0.021 . 1 . . . . . 356 ALA N . 50966 1 447 . 1 . 1 47 47 VAL H H 1 8.574 0.007 . 1 . . . . . 357 VAL H . 50966 1 448 . 1 . 1 47 47 VAL HA H 1 4.184 0.008 . 1 . . . . . 357 VAL HA . 50966 1 449 . 1 . 1 47 47 VAL HB H 1 2.296 0.006 . 1 . . . . . 357 VAL HB . 50966 1 450 . 1 . 1 47 47 VAL HG11 H 1 1.068 0.001 . 2 . . . . . 357 VAL HG11 . 50966 1 451 . 1 . 1 47 47 VAL HG12 H 1 1.068 0.001 . 2 . . . . . 357 VAL HG12 . 50966 1 452 . 1 . 1 47 47 VAL HG13 H 1 1.068 0.001 . 2 . . . . . 357 VAL HG13 . 50966 1 453 . 1 . 1 47 47 VAL HG21 H 1 1.090 0.002 . 2 . . . . . 357 VAL HG21 . 50966 1 454 . 1 . 1 47 47 VAL HG22 H 1 1.090 0.002 . 2 . . . . . 357 VAL HG22 . 50966 1 455 . 1 . 1 47 47 VAL HG23 H 1 1.090 0.002 . 2 . . . . . 357 VAL HG23 . 50966 1 456 . 1 . 1 47 47 VAL C C 13 174.654 0.009 . 1 . . . . . 357 VAL C . 50966 1 457 . 1 . 1 47 47 VAL CA C 13 63.505 0.030 . 1 . . . . . 357 VAL CA . 50966 1 458 . 1 . 1 47 47 VAL CB C 13 32.177 0.001 . 1 . . . . . 357 VAL CB . 50966 1 459 . 1 . 1 47 47 VAL CG1 C 13 20.095 0.000 . 2 . . . . . 357 VAL CG1 . 50966 1 460 . 1 . 1 47 47 VAL CG2 C 13 21.419 0.000 . 2 . . . . . 357 VAL CG2 . 50966 1 461 . 1 . 1 47 47 VAL N N 15 115.965 0.022 . 1 . . . . . 357 VAL N . 50966 1 462 . 1 . 1 48 48 SER H H 1 7.230 0.007 . 1 . . . . . 358 SER H . 50966 1 463 . 1 . 1 48 48 SER HB2 H 1 4.022 0.000 . 1 . . . . . 358 SER HB2 . 50966 1 464 . 1 . 1 48 48 SER C C 13 174.225 0.009 . 1 . . . . . 358 SER C . 50966 1 465 . 1 . 1 48 48 SER CA C 13 56.056 0.005 . 1 . . . . . 358 SER CA . 50966 1 466 . 1 . 1 48 48 SER CB C 13 66.547 0.075 . 1 . . . . . 358 SER CB . 50966 1 467 . 1 . 1 48 48 SER N N 15 108.887 0.034 . 1 . . . . . 358 SER N . 50966 1 468 . 1 . 1 49 49 SER H H 1 9.385 0.000 . 1 . . . . . 359 SER H . 50966 1 469 . 1 . 1 49 49 SER HB2 H 1 3.886 0.000 . 1 . . . . . 359 SER HB2 . 50966 1 470 . 1 . 1 49 49 SER HG H 1 4.760 0.000 . 1 . . . . . 359 SER HG . 50966 1 471 . 1 . 1 49 49 SER C C 13 176.679 0.000 . 1 . . . . . 359 SER C . 50966 1 472 . 1 . 1 49 49 SER CA C 13 61.652 0.000 . 1 . . . . . 359 SER CA . 50966 1 473 . 1 . 1 49 49 SER CB C 13 61.848 0.000 . 1 . . . . . 359 SER CB . 50966 1 474 . 1 . 1 49 49 SER N N 15 117.569 0.000 . 1 . . . . . 359 SER N . 50966 1 475 . 1 . 1 50 50 GLN H H 1 8.347 0.008 . 1 . . . . . 360 GLN H . 50966 1 476 . 1 . 1 50 50 GLN HA H 1 4.111 0.010 . 1 . . . . . 360 GLN HA . 50966 1 477 . 1 . 1 50 50 GLN HB2 H 1 2.100 0.000 . 1 . . . . . 360 GLN HB2 . 50966 1 478 . 1 . 1 50 50 GLN HG2 H 1 2.436 0.003 . 1 . . . . . 360 GLN HG2 . 50966 1 479 . 1 . 1 50 50 GLN C C 13 178.229 0.024 . 1 . . . . . 360 GLN C . 50966 1 480 . 1 . 1 50 50 GLN CA C 13 59.788 0.016 . 1 . . . . . 360 GLN CA . 50966 1 481 . 1 . 1 50 50 GLN CB C 13 27.801 0.026 . 1 . . . . . 360 GLN CB . 50966 1 482 . 1 . 1 50 50 GLN CG C 13 34.361 0.074 . 1 . . . . . 360 GLN CG . 50966 1 483 . 1 . 1 50 50 GLN N N 15 122.965 0.050 . 1 . . . . . 360 GLN N . 50966 1 484 . 1 . 1 51 51 ALA H H 1 8.050 0.007 . 1 . . . . . 361 ALA H . 50966 1 485 . 1 . 1 51 51 ALA HA H 1 4.250 0.005 . 1 . . . . . 361 ALA HA . 50966 1 486 . 1 . 1 51 51 ALA HB1 H 1 1.445 0.015 . 1 . . . . . 361 ALA HB1 . 50966 1 487 . 1 . 1 51 51 ALA HB2 H 1 1.445 0.015 . 1 . . . . . 361 ALA HB2 . 50966 1 488 . 1 . 1 51 51 ALA HB3 H 1 1.445 0.015 . 1 . . . . . 361 ALA HB3 . 50966 1 489 . 1 . 1 51 51 ALA C C 13 179.485 0.024 . 1 . . . . . 361 ALA C . 50966 1 490 . 1 . 1 51 51 ALA CA C 13 55.097 0.066 . 1 . . . . . 361 ALA CA . 50966 1 491 . 1 . 1 51 51 ALA CB C 13 18.137 0.037 . 1 . . . . . 361 ALA CB . 50966 1 492 . 1 . 1 51 51 ALA N N 15 123.644 0.053 . 1 . . . . . 361 ALA N . 50966 1 493 . 1 . 1 52 52 LEU H H 1 7.392 0.006 . 1 . . . . . 362 LEU H . 50966 1 494 . 1 . 1 52 52 LEU HA H 1 4.008 0.006 . 1 . . . . . 362 LEU HA . 50966 1 495 . 1 . 1 52 52 LEU HB2 H 1 2.019 0.009 . 2 . . . . . 362 LEU HB2 . 50966 1 496 . 1 . 1 52 52 LEU HB3 H 1 1.291 0.000 . 2 . . . . . 362 LEU HB3 . 50966 1 497 . 1 . 1 52 52 LEU HG H 1 1.658 0.000 . 1 . . . . . 362 LEU HG . 50966 1 498 . 1 . 1 52 52 LEU HD11 H 1 0.886 0.000 . 1 . . . . . 362 LEU HD11 . 50966 1 499 . 1 . 1 52 52 LEU HD12 H 1 0.886 0.000 . 1 . . . . . 362 LEU HD12 . 50966 1 500 . 1 . 1 52 52 LEU HD13 H 1 0.886 0.000 . 1 . . . . . 362 LEU HD13 . 50966 1 501 . 1 . 1 52 52 LEU C C 13 179.240 0.010 . 1 . . . . . 362 LEU C . 50966 1 502 . 1 . 1 52 52 LEU CA C 13 58.208 0.022 . 1 . . . . . 362 LEU CA . 50966 1 503 . 1 . 1 52 52 LEU CB C 13 41.633 0.026 . 1 . . . . . 362 LEU CB . 50966 1 504 . 1 . 1 52 52 LEU CG C 13 27.490 0.000 . 1 . . . . . 362 LEU CG . 50966 1 505 . 1 . 1 52 52 LEU CD1 C 13 25.917 0.000 . 1 . . . . . 362 LEU CD1 . 50966 1 506 . 1 . 1 52 52 LEU N N 15 117.953 0.018 . 1 . . . . . 362 LEU N . 50966 1 507 . 1 . 1 53 53 GLU H H 1 8.470 0.006 . 1 . . . . . 363 GLU H . 50966 1 508 . 1 . 1 53 53 GLU HA H 1 4.145 0.010 . 1 . . . . . 363 GLU HA . 50966 1 509 . 1 . 1 53 53 GLU HB2 H 1 2.159 0.000 . 1 . . . . . 363 GLU HB2 . 50966 1 510 . 1 . 1 53 53 GLU HG2 H 1 2.330 0.003 . 1 . . . . . 363 GLU HG2 . 50966 1 511 . 1 . 1 53 53 GLU C C 13 178.984 0.019 . 1 . . . . . 363 GLU C . 50966 1 512 . 1 . 1 53 53 GLU CA C 13 59.348 0.030 . 1 . . . . . 363 GLU CA . 50966 1 513 . 1 . 1 53 53 GLU CB C 13 29.052 0.044 . 1 . . . . . 363 GLU CB . 50966 1 514 . 1 . 1 53 53 GLU CG C 13 35.925 0.078 . 1 . . . . . 363 GLU CG . 50966 1 515 . 1 . 1 53 53 GLU N N 15 121.791 0.020 . 1 . . . . . 363 GLU N . 50966 1 516 . 1 . 1 54 54 GLN H H 1 8.306 0.007 . 1 . . . . . 364 GLN H . 50966 1 517 . 1 . 1 54 54 GLN HA H 1 4.072 0.003 . 1 . . . . . 364 GLN HA . 50966 1 518 . 1 . 1 54 54 GLN HB2 H 1 2.172 0.023 . 2 . . . . . 364 GLN HB2 . 50966 1 519 . 1 . 1 54 54 GLN HB3 H 1 2.329 0.000 . 2 . . . . . 364 GLN HB3 . 50966 1 520 . 1 . 1 54 54 GLN HG2 H 1 2.557 0.000 . 2 . . . . . 364 GLN HG2 . 50966 1 521 . 1 . 1 54 54 GLN HG3 H 1 2.329 0.000 . 2 . . . . . 364 GLN HG3 . 50966 1 522 . 1 . 1 54 54 GLN HE21 H 1 7.463 0.014 . 1 . . . . . 364 GLN HE21 . 50966 1 523 . 1 . 1 54 54 GLN HE22 H 1 7.540 0.000 . 1 . . . . . 364 GLN HE22 . 50966 1 524 . 1 . 1 54 54 GLN C C 13 178.819 0.037 . 1 . . . . . 364 GLN C . 50966 1 525 . 1 . 1 54 54 GLN CA C 13 59.256 0.014 . 1 . . . . . 364 GLN CA . 50966 1 526 . 1 . 1 54 54 GLN CB C 13 28.540 0.092 . 1 . . . . . 364 GLN CB . 50966 1 527 . 1 . 1 54 54 GLN CG C 13 34.478 0.000 . 1 . . . . . 364 GLN CG . 50966 1 528 . 1 . 1 54 54 GLN N N 15 120.275 0.029 . 1 . . . . . 364 GLN N . 50966 1 529 . 1 . 1 54 54 GLN NE2 N 15 111.910 0.017 . 1 . . . . . 364 GLN NE2 . 50966 1 530 . 1 . 1 55 55 PHE H H 1 8.512 0.006 . 1 . . . . . 365 PHE H . 50966 1 531 . 1 . 1 55 55 PHE HA H 1 4.077 0.002 . 1 . . . . . 365 PHE HA . 50966 1 532 . 1 . 1 55 55 PHE HB2 H 1 3.292 0.016 . 2 . . . . . 365 PHE HB2 . 50966 1 533 . 1 . 1 55 55 PHE HB3 H 1 3.267 0.000 . 2 . . . . . 365 PHE HB3 . 50966 1 534 . 1 . 1 55 55 PHE C C 13 176.470 0.017 . 1 . . . . . 365 PHE C . 50966 1 535 . 1 . 1 55 55 PHE CA C 13 61.719 0.039 . 1 . . . . . 365 PHE CA . 50966 1 536 . 1 . 1 55 55 PHE CB C 13 39.595 0.016 . 1 . . . . . 365 PHE CB . 50966 1 537 . 1 . 1 55 55 PHE N N 15 119.380 0.025 . 1 . . . . . 365 PHE N . 50966 1 538 . 1 . 1 56 56 SER H H 1 8.649 0.007 . 1 . . . . . 366 SER H . 50966 1 539 . 1 . 1 56 56 SER HA H 1 4.062 0.006 . 1 . . . . . 366 SER HA . 50966 1 540 . 1 . 1 56 56 SER HB2 H 1 3.754 0.005 . 1 . . . . . 366 SER HB2 . 50966 1 541 . 1 . 1 56 56 SER HG H 1 4.780 0.000 . 1 . . . . . 366 SER HG . 50966 1 542 . 1 . 1 56 56 SER C C 13 175.645 0.001 . 1 . . . . . 366 SER C . 50966 1 543 . 1 . 1 56 56 SER CA C 13 62.792 0.004 . 1 . . . . . 366 SER CA . 50966 1 544 . 1 . 1 56 56 SER N N 15 115.039 0.027 . 1 . . . . . 366 SER N . 50966 1 545 . 1 . 1 57 57 GLN H H 1 8.280 0.009 . 1 . . . . . 367 GLN H . 50966 1 546 . 1 . 1 57 57 GLN HA H 1 3.965 0.008 . 1 . . . . . 367 GLN HA . 50966 1 547 . 1 . 1 57 57 GLN HB2 H 1 2.177 0.022 . 1 . . . . . 367 GLN HB2 . 50966 1 548 . 1 . 1 57 57 GLN HG2 H 1 2.454 0.000 . 2 . . . . . 367 GLN HG2 . 50966 1 549 . 1 . 1 57 57 GLN HG3 H 1 2.345 0.000 . 2 . . . . . 367 GLN HG3 . 50966 1 550 . 1 . 1 57 57 GLN C C 13 179.188 0.016 . 1 . . . . . 367 GLN C . 50966 1 551 . 1 . 1 57 57 GLN CA C 13 59.091 0.016 . 1 . . . . . 367 GLN CA . 50966 1 552 . 1 . 1 57 57 GLN CB C 13 28.300 0.120 . 1 . . . . . 367 GLN CB . 50966 1 553 . 1 . 1 57 57 GLN CG C 13 33.649 0.000 . 1 . . . . . 367 GLN CG . 50966 1 554 . 1 . 1 57 57 GLN N N 15 120.041 0.033 . 1 . . . . . 367 GLN N . 50966 1 555 . 1 . 1 58 58 ARG H H 1 7.817 0.006 . 1 . . . . . 368 ARG H . 50966 1 556 . 1 . 1 58 58 ARG HA H 1 3.994 0.025 . 1 . . . . . 368 ARG HA . 50966 1 557 . 1 . 1 58 58 ARG HB2 H 1 1.787 0.003 . 1 . . . . . 368 ARG HB2 . 50966 1 558 . 1 . 1 58 58 ARG HG2 H 1 1.530 0.000 . 1 . . . . . 368 ARG HG2 . 50966 1 559 . 1 . 1 58 58 ARG HG3 H 1 1.530 0.000 . 1 . . . . . 368 ARG HG3 . 50966 1 560 . 1 . 1 58 58 ARG HD2 H 1 3.145 0.000 . 1 . . . . . 368 ARG HD2 . 50966 1 561 . 1 . 1 58 58 ARG HE H 1 7.193 0.000 . 1 . . . . . 368 ARG HE . 50966 1 562 . 1 . 1 58 58 ARG C C 13 179.771 0.027 . 1 . . . . . 368 ARG C . 50966 1 563 . 1 . 1 58 58 ARG CA C 13 59.235 0.000 . 1 . . . . . 368 ARG CA . 50966 1 564 . 1 . 1 58 58 ARG CB C 13 30.586 0.013 . 1 . . . . . 368 ARG CB . 50966 1 565 . 1 . 1 58 58 ARG CD C 13 43.875 0.000 . 1 . . . . . 368 ARG CD . 50966 1 566 . 1 . 1 58 58 ARG N N 15 119.469 0.030 . 1 . . . . . 368 ARG N . 50966 1 567 . 1 . 1 59 59 ALA H H 1 8.613 0.006 . 1 . . . . . 369 ALA H . 50966 1 568 . 1 . 1 59 59 ALA HA H 1 3.921 0.008 . 1 . . . . . 369 ALA HA . 50966 1 569 . 1 . 1 59 59 ALA HB1 H 1 0.895 0.017 . 1 . . . . . 369 ALA HB1 . 50966 1 570 . 1 . 1 59 59 ALA HB2 H 1 0.895 0.017 . 1 . . . . . 369 ALA HB2 . 50966 1 571 . 1 . 1 59 59 ALA HB3 H 1 0.895 0.017 . 1 . . . . . 369 ALA HB3 . 50966 1 572 . 1 . 1 59 59 ALA C C 13 178.965 0.019 . 1 . . . . . 369 ALA C . 50966 1 573 . 1 . 1 59 59 ALA CA C 13 55.037 0.016 . 1 . . . . . 369 ALA CA . 50966 1 574 . 1 . 1 59 59 ALA CB C 13 16.836 0.015 . 1 . . . . . 369 ALA CB . 50966 1 575 . 1 . 1 59 59 ALA N N 15 121.779 0.046 . 1 . . . . . 369 ALA N . 50966 1 576 . 1 . 1 60 60 ARG H H 1 8.009 0.007 . 1 . . . . . 370 ARG H . 50966 1 577 . 1 . 1 60 60 ARG HA H 1 4.804 0.003 . 1 . . . . . 370 ARG HA . 50966 1 578 . 1 . 1 60 60 ARG HB2 H 1 1.925 0.017 . 1 . . . . . 370 ARG HB2 . 50966 1 579 . 1 . 1 60 60 ARG HG2 H 1 1.758 0.008 . 1 . . . . . 370 ARG HG2 . 50966 1 580 . 1 . 1 60 60 ARG HD2 H 1 3.245 0.001 . 1 . . . . . 370 ARG HD2 . 50966 1 581 . 1 . 1 60 60 ARG C C 13 176.849 0.015 . 1 . . . . . 370 ARG C . 50966 1 582 . 1 . 1 60 60 ARG CA C 13 58.105 0.055 . 1 . . . . . 370 ARG CA . 50966 1 583 . 1 . 1 60 60 ARG CB C 13 30.427 0.000 . 1 . . . . . 370 ARG CB . 50966 1 584 . 1 . 1 60 60 ARG CG C 13 30.538 0.000 . 1 . . . . . 370 ARG CG . 50966 1 585 . 1 . 1 60 60 ARG CD C 13 44.102 0.000 . 1 . . . . . 370 ARG CD . 50966 1 586 . 1 . 1 60 60 ARG N N 15 117.109 0.028 . 1 . . . . . 370 ARG N . 50966 1 587 . 1 . 1 61 61 ALA H H 1 7.184 0.007 . 1 . . . . . 371 ALA H . 50966 1 588 . 1 . 1 61 61 ALA HA H 1 4.230 0.001 . 1 . . . . . 371 ALA HA . 50966 1 589 . 1 . 1 61 61 ALA HB1 H 1 1.472 0.003 . 1 . . . . . 371 ALA HB1 . 50966 1 590 . 1 . 1 61 61 ALA HB2 H 1 1.472 0.003 . 1 . . . . . 371 ALA HB2 . 50966 1 591 . 1 . 1 61 61 ALA HB3 H 1 1.472 0.003 . 1 . . . . . 371 ALA HB3 . 50966 1 592 . 1 . 1 61 61 ALA C C 13 178.607 0.028 . 1 . . . . . 371 ALA C . 50966 1 593 . 1 . 1 61 61 ALA CA C 13 53.938 0.047 . 1 . . . . . 371 ALA CA . 50966 1 594 . 1 . 1 61 61 ALA CB C 13 18.785 0.016 . 1 . . . . . 371 ALA CB . 50966 1 595 . 1 . 1 61 61 ALA N N 15 118.887 0.033 . 1 . . . . . 371 ALA N . 50966 1 596 . 1 . 1 62 62 ARG H H 1 7.417 0.006 . 1 . . . . . 372 ARG H . 50966 1 597 . 1 . 1 62 62 ARG HA H 1 4.360 0.012 . 1 . . . . . 372 ARG HA . 50966 1 598 . 1 . 1 62 62 ARG HB2 H 1 1.278 0.004 . 2 . . . . . 372 ARG HB2 . 50966 1 599 . 1 . 1 62 62 ARG HB3 H 1 1.307 0.000 . 2 . . . . . 372 ARG HB3 . 50966 1 600 . 1 . 1 62 62 ARG HD2 H 1 2.964 0.000 . 2 . . . . . 372 ARG HD2 . 50966 1 601 . 1 . 1 62 62 ARG HD3 H 1 3.015 0.000 . 2 . . . . . 372 ARG HD3 . 50966 1 602 . 1 . 1 62 62 ARG C C 13 173.997 0.021 . 1 . . . . . 372 ARG C . 50966 1 603 . 1 . 1 62 62 ARG CA C 13 54.831 0.026 . 1 . . . . . 372 ARG CA . 50966 1 604 . 1 . 1 62 62 ARG CB C 13 33.733 0.019 . 1 . . . . . 372 ARG CB . 50966 1 605 . 1 . 1 62 62 ARG CG C 13 26.994 0.000 . 1 . . . . . 372 ARG CG . 50966 1 606 . 1 . 1 62 62 ARG CD C 13 42.857 0.000 . 1 . . . . . 372 ARG CD . 50966 1 607 . 1 . 1 62 62 ARG N N 15 113.444 0.028 . 1 . . . . . 372 ARG N . 50966 1 608 . 1 . 1 63 63 PHE H H 1 8.321 0.006 . 1 . . . . . 373 PHE H . 50966 1 609 . 1 . 1 63 63 PHE HA H 1 4.922 0.003 . 1 . . . . . 373 PHE HA . 50966 1 610 . 1 . 1 63 63 PHE HB2 H 1 3.256 0.000 . 2 . . . . . 373 PHE HB2 . 50966 1 611 . 1 . 1 63 63 PHE HB3 H 1 2.401 0.008 . 2 . . . . . 373 PHE HB3 . 50966 1 612 . 1 . 1 63 63 PHE C C 13 174.666 0.011 . 1 . . . . . 373 PHE C . 50966 1 613 . 1 . 1 63 63 PHE CA C 13 56.406 0.024 . 1 . . . . . 373 PHE CA . 50966 1 614 . 1 . 1 63 63 PHE CB C 13 43.067 0.020 . 1 . . . . . 373 PHE CB . 50966 1 615 . 1 . 1 63 63 PHE N N 15 117.406 0.024 . 1 . . . . . 373 PHE N . 50966 1 616 . 1 . 1 64 64 ARG H H 1 8.744 0.006 . 1 . . . . . 374 ARG H . 50966 1 617 . 1 . 1 64 64 ARG HA H 1 4.567 0.013 . 1 . . . . . 374 ARG HA . 50966 1 618 . 1 . 1 64 64 ARG HB2 H 1 1.872 0.000 . 2 . . . . . 374 ARG HB2 . 50966 1 619 . 1 . 1 64 64 ARG HB3 H 1 1.772 0.016 . 2 . . . . . 374 ARG HB3 . 50966 1 620 . 1 . 1 64 64 ARG HG2 H 1 2.152 0.000 . 2 . . . . . 374 ARG HG2 . 50966 1 621 . 1 . 1 64 64 ARG HG3 H 1 1.579 0.000 . 2 . . . . . 374 ARG HG3 . 50966 1 622 . 1 . 1 64 64 ARG HD2 H 1 3.247 0.009 . 2 . . . . . 374 ARG HD2 . 50966 1 623 . 1 . 1 64 64 ARG HD3 H 1 3.023 0.000 . 2 . . . . . 374 ARG HD3 . 50966 1 624 . 1 . 1 64 64 ARG HE H 1 7.217 0.000 . 1 . . . . . 374 ARG HE . 50966 1 625 . 1 . 1 64 64 ARG C C 13 176.403 0.033 . 1 . . . . . 374 ARG C . 50966 1 626 . 1 . 1 64 64 ARG CA C 13 56.407 0.061 . 1 . . . . . 374 ARG CA . 50966 1 627 . 1 . 1 64 64 ARG CB C 13 30.843 0.029 . 1 . . . . . 374 ARG CB . 50966 1 628 . 1 . 1 64 64 ARG CG C 13 28.046 0.000 . 1 . . . . . 374 ARG CG . 50966 1 629 . 1 . 1 64 64 ARG CD C 13 43.734 0.014 . 1 . . . . . 374 ARG CD . 50966 1 630 . 1 . 1 64 64 ARG N N 15 120.124 0.039 . 1 . . . . . 374 ARG N . 50966 1 631 . 1 . 1 65 65 VAL H H 1 8.759 0.007 . 1 . . . . . 375 VAL H . 50966 1 632 . 1 . 1 65 65 VAL HA H 1 4.705 0.010 . 1 . . . . . 375 VAL HA . 50966 1 633 . 1 . 1 65 65 VAL HB H 1 1.886 0.023 . 1 . . . . . 375 VAL HB . 50966 1 634 . 1 . 1 65 65 VAL HG11 H 1 0.803 0.000 . 1 . . . . . 375 VAL HG11 . 50966 1 635 . 1 . 1 65 65 VAL HG12 H 1 0.803 0.000 . 1 . . . . . 375 VAL HG12 . 50966 1 636 . 1 . 1 65 65 VAL HG13 H 1 0.803 0.000 . 1 . . . . . 375 VAL HG13 . 50966 1 637 . 1 . 1 65 65 VAL C C 13 175.594 0.014 . 1 . . . . . 375 VAL C . 50966 1 638 . 1 . 1 65 65 VAL CA C 13 61.650 0.020 . 1 . . . . . 375 VAL CA . 50966 1 639 . 1 . 1 65 65 VAL CB C 13 34.580 0.010 . 1 . . . . . 375 VAL CB . 50966 1 640 . 1 . 1 65 65 VAL CG1 C 13 21.751 0.000 . 1 . . . . . 375 VAL CG1 . 50966 1 641 . 1 . 1 65 65 VAL CG2 C 13 21.751 0.000 . 1 . . . . . 375 VAL CG2 . 50966 1 642 . 1 . 1 65 65 VAL N N 15 126.143 0.044 . 1 . . . . . 375 VAL N . 50966 1 643 . 1 . 1 66 66 GLN H H 1 9.028 0.006 . 1 . . . . . 376 GLN H . 50966 1 644 . 1 . 1 66 66 GLN HA H 1 4.786 0.004 . 1 . . . . . 376 GLN HA . 50966 1 645 . 1 . 1 66 66 GLN HB2 H 1 2.072 0.004 . 1 . . . . . 376 GLN HB2 . 50966 1 646 . 1 . 1 66 66 GLN HG2 H 1 2.332 0.000 . 1 . . . . . 376 GLN HG2 . 50966 1 647 . 1 . 1 66 66 GLN HE21 H 1 7.525 0.016 . 1 . . . . . 376 GLN HE21 . 50966 1 648 . 1 . 1 66 66 GLN HE22 H 1 6.841 0.000 . 1 . . . . . 376 GLN HE22 . 50966 1 649 . 1 . 1 66 66 GLN C C 13 175.478 0.000 . 1 . . . . . 376 GLN C . 50966 1 650 . 1 . 1 66 66 GLN CA C 13 54.515 0.011 . 1 . . . . . 376 GLN CA . 50966 1 651 . 1 . 1 66 66 GLN CB C 13 31.019 0.036 . 1 . . . . . 376 GLN CB . 50966 1 652 . 1 . 1 66 66 GLN CG C 13 33.556 0.000 . 1 . . . . . 376 GLN CG . 50966 1 653 . 1 . 1 66 66 GLN N N 15 127.488 0.020 . 1 . . . . . 376 GLN N . 50966 1 654 . 1 . 1 66 66 GLN NE2 N 15 111.975 0.014 . 1 . . . . . 376 GLN NE2 . 50966 1 655 . 1 . 1 67 67 THR H H 1 8.902 0.014 . 1 . . . . . 377 THR H . 50966 1 656 . 1 . 1 67 67 THR HA H 1 4.388 0.006 . 1 . . . . . 377 THR HA . 50966 1 657 . 1 . 1 67 67 THR HB H 1 4.159 0.007 . 1 . . . . . 377 THR HB . 50966 1 658 . 1 . 1 67 67 THR HG1 H 1 5.086 0.000 . 1 . . . . . 377 THR HG1 . 50966 1 659 . 1 . 1 67 67 THR HG21 H 1 1.272 0.007 . 1 . . . . . 377 THR HG21 . 50966 1 660 . 1 . 1 67 67 THR HG22 H 1 1.272 0.007 . 1 . . . . . 377 THR HG22 . 50966 1 661 . 1 . 1 67 67 THR HG23 H 1 1.272 0.007 . 1 . . . . . 377 THR HG23 . 50966 1 662 . 1 . 1 67 67 THR C C 13 174.541 0.019 . 1 . . . . . 377 THR C . 50966 1 663 . 1 . 1 67 67 THR CA C 13 62.983 0.022 . 1 . . . . . 377 THR CA . 50966 1 664 . 1 . 1 67 67 THR CB C 13 69.343 0.053 . 1 . . . . . 377 THR CB . 50966 1 665 . 1 . 1 67 67 THR CG2 C 13 21.959 0.027 . 1 . . . . . 377 THR CG2 . 50966 1 666 . 1 . 1 67 67 THR N N 15 121.736 0.034 . 1 . . . . . 377 THR N . 50966 1 667 . 1 . 1 68 68 GLY H H 1 8.462 0.007 . 1 . . . . . 378 GLY H . 50966 1 668 . 1 . 1 68 68 GLY HA2 H 1 3.627 0.004 . 2 . . . . . 378 GLY HA2 . 50966 1 669 . 1 . 1 68 68 GLY HA3 H 1 4.414 0.009 . 2 . . . . . 378 GLY HA3 . 50966 1 670 . 1 . 1 68 68 GLY C C 13 172.865 0.013 . 1 . . . . . 378 GLY C . 50966 1 671 . 1 . 1 68 68 GLY CA C 13 44.408 0.005 . 1 . . . . . 378 GLY CA . 50966 1 672 . 1 . 1 68 68 GLY N N 15 115.406 0.027 . 1 . . . . . 378 GLY N . 50966 1 673 . 1 . 1 69 69 GLU H H 1 8.386 0.007 . 1 . . . . . 379 GLU H . 50966 1 674 . 1 . 1 69 69 GLU HA H 1 4.159 0.005 . 1 . . . . . 379 GLU HA . 50966 1 675 . 1 . 1 69 69 GLU HB2 H 1 1.964 0.016 . 2 . . . . . 379 GLU HB2 . 50966 1 676 . 1 . 1 69 69 GLU HB3 H 1 1.840 0.000 . 2 . . . . . 379 GLU HB3 . 50966 1 677 . 1 . 1 69 69 GLU HG2 H 1 2.236 0.018 . 2 . . . . . 379 GLU HG2 . 50966 1 678 . 1 . 1 69 69 GLU HG3 H 1 2.268 0.000 . 2 . . . . . 379 GLU HG3 . 50966 1 679 . 1 . 1 69 69 GLU C C 13 176.049 0.008 . 1 . . . . . 379 GLU C . 50966 1 680 . 1 . 1 69 69 GLU CA C 13 57.255 0.014 . 1 . . . . . 379 GLU CA . 50966 1 681 . 1 . 1 69 69 GLU CB C 13 30.664 0.025 . 1 . . . . . 379 GLU CB . 50966 1 682 . 1 . 1 69 69 GLU CG C 13 36.631 0.000 . 1 . . . . . 379 GLU CG . 50966 1 683 . 1 . 1 69 69 GLU N N 15 120.992 0.030 . 1 . . . . . 379 GLU N . 50966 1 684 . 1 . 1 70 70 MET H H 1 8.485 0.006 . 1 . . . . . 380 MET H . 50966 1 685 . 1 . 1 70 70 MET HA H 1 5.163 0.006 . 1 . . . . . 380 MET HA . 50966 1 686 . 1 . 1 70 70 MET HB2 H 1 2.015 0.010 . 2 . . . . . 380 MET HB2 . 50966 1 687 . 1 . 1 70 70 MET HB3 H 1 1.609 0.020 . 2 . . . . . 380 MET HB3 . 50966 1 688 . 1 . 1 70 70 MET HG2 H 1 2.420 0.000 . 2 . . . . . 380 MET HG2 . 50966 1 689 . 1 . 1 70 70 MET HG3 H 1 2.671 0.000 . 2 . . . . . 380 MET HG3 . 50966 1 690 . 1 . 1 70 70 MET C C 13 175.927 0.028 . 1 . . . . . 380 MET C . 50966 1 691 . 1 . 1 70 70 MET CA C 13 53.857 0.038 . 1 . . . . . 380 MET CA . 50966 1 692 . 1 . 1 70 70 MET CB C 13 34.100 0.059 . 1 . . . . . 380 MET CB . 50966 1 693 . 1 . 1 70 70 MET CG C 13 32.240 0.000 . 1 . . . . . 380 MET CG . 50966 1 694 . 1 . 1 70 70 MET N N 15 124.243 0.030 . 1 . . . . . 380 MET N . 50966 1 695 . 1 . 1 71 71 LYS H H 1 9.037 0.005 . 1 . . . . . 381 LYS H . 50966 1 696 . 1 . 1 71 71 LYS HA H 1 4.937 0.003 . 1 . . . . . 381 LYS HA . 50966 1 697 . 1 . 1 71 71 LYS HB2 H 1 1.791 0.008 . 1 . . . . . 381 LYS HB2 . 50966 1 698 . 1 . 1 71 71 LYS HG2 H 1 1.379 0.000 . 2 . . . . . 381 LYS HG2 . 50966 1 699 . 1 . 1 71 71 LYS HG3 H 1 1.379 0.000 . 2 . . . . . 381 LYS HG3 . 50966 1 700 . 1 . 1 71 71 LYS HD2 H 1 1.664 0.000 . 2 . . . . . 381 LYS HD2 . 50966 1 701 . 1 . 1 71 71 LYS HD3 H 1 1.635 0.000 . 2 . . . . . 381 LYS HD3 . 50966 1 702 . 1 . 1 71 71 LYS HE2 H 1 2.913 0.000 . 1 . . . . . 381 LYS HE2 . 50966 1 703 . 1 . 1 71 71 LYS C C 13 173.733 0.010 . 1 . . . . . 381 LYS C . 50966 1 704 . 1 . 1 71 71 LYS CA C 13 53.065 0.058 . 1 . . . . . 381 LYS CA . 50966 1 705 . 1 . 1 71 71 LYS CB C 13 34.502 0.037 . 1 . . . . . 381 LYS CB . 50966 1 706 . 1 . 1 71 71 LYS CG C 13 24.462 0.000 . 1 . . . . . 381 LYS CG . 50966 1 707 . 1 . 1 71 71 LYS CD C 13 29.258 0.021 . 1 . . . . . 381 LYS CD . 50966 1 708 . 1 . 1 71 71 LYS CE C 13 42.165 0.000 . 1 . . . . . 381 LYS CE . 50966 1 709 . 1 . 1 71 71 LYS N N 15 123.813 0.025 . 1 . . . . . 381 LYS N . 50966 1 710 . 1 . 1 72 72 PRO HA H 1 4.679 0.000 . 1 . . . . . 382 PRO HA . 50966 1 711 . 1 . 1 72 72 PRO HB2 H 1 2.303 0.000 . 1 . . . . . 382 PRO HB2 . 50966 1 712 . 1 . 1 72 72 PRO HG2 H 1 1.989 0.000 . 1 . . . . . 382 PRO HG2 . 50966 1 713 . 1 . 1 72 72 PRO C C 13 176.291 0.042 . 1 . . . . . 382 PRO C . 50966 1 714 . 1 . 1 72 72 PRO CA C 13 63.135 0.025 . 1 . . . . . 382 PRO CA . 50966 1 715 . 1 . 1 72 72 PRO CB C 13 32.353 0.003 . 1 . . . . . 382 PRO CB . 50966 1 716 . 1 . 1 72 72 PRO CG C 13 27.731 0.000 . 1 . . . . . 382 PRO CG . 50966 1 717 . 1 . 1 72 72 PRO CD C 13 50.987 0.000 . 1 . . . . . 382 PRO CD . 50966 1 718 . 1 . 1 73 73 ARG H H 1 8.532 0.029 . 1 . . . . . 383 ARG H . 50966 1 719 . 1 . 1 73 73 ARG C C 13 176.563 0.000 . 1 . . . . . 383 ARG C . 50966 1 720 . 1 . 1 73 73 ARG CA C 13 54.226 0.000 . 1 . . . . . 383 ARG CA . 50966 1 721 . 1 . 1 73 73 ARG CB C 13 33.075 0.000 . 1 . . . . . 383 ARG CB . 50966 1 722 . 1 . 1 73 73 ARG N N 15 122.740 0.038 . 1 . . . . . 383 ARG N . 50966 1 723 . 1 . 1 74 74 ALA H H 1 8.743 0.010 . 1 . . . . . 384 ALA H . 50966 1 724 . 1 . 1 74 74 ALA HA H 1 4.075 0.017 . 1 . . . . . 384 ALA HA . 50966 1 725 . 1 . 1 74 74 ALA HB1 H 1 1.413 0.006 . 1 . . . . . 384 ALA HB1 . 50966 1 726 . 1 . 1 74 74 ALA HB2 H 1 1.413 0.006 . 1 . . . . . 384 ALA HB2 . 50966 1 727 . 1 . 1 74 74 ALA HB3 H 1 1.413 0.006 . 1 . . . . . 384 ALA HB3 . 50966 1 728 . 1 . 1 74 74 ALA C C 13 178.156 0.011 . 1 . . . . . 384 ALA C . 50966 1 729 . 1 . 1 74 74 ALA CA C 13 54.966 0.029 . 1 . . . . . 384 ALA CA . 50966 1 730 . 1 . 1 74 74 ALA CB C 13 17.932 0.043 . 1 . . . . . 384 ALA CB . 50966 1 731 . 1 . 1 74 74 ALA N N 15 123.884 0.034 . 1 . . . . . 384 ALA N . 50966 1 732 . 1 . 1 75 75 ASP H H 1 8.175 0.006 . 1 . . . . . 385 ASP H . 50966 1 733 . 1 . 1 75 75 ASP HA H 1 4.698 0.021 . 1 . . . . . 385 ASP HA . 50966 1 734 . 1 . 1 75 75 ASP HB2 H 1 2.841 0.014 . 2 . . . . . 385 ASP HB2 . 50966 1 735 . 1 . 1 75 75 ASP HB3 H 1 2.585 0.007 . 2 . . . . . 385 ASP HB3 . 50966 1 736 . 1 . 1 75 75 ASP C C 13 175.319 0.009 . 1 . . . . . 385 ASP C . 50966 1 737 . 1 . 1 75 75 ASP CA C 13 53.058 0.032 . 1 . . . . . 385 ASP CA . 50966 1 738 . 1 . 1 75 75 ASP CB C 13 40.480 0.012 . 1 . . . . . 385 ASP CB . 50966 1 739 . 1 . 1 75 75 ASP N N 15 113.917 0.027 . 1 . . . . . 385 ASP N . 50966 1 740 . 1 . 1 76 76 GLY H H 1 7.415 0.008 . 1 . . . . . 386 GLY H . 50966 1 741 . 1 . 1 76 76 GLY HA2 H 1 4.423 0.007 . 2 . . . . . 386 GLY HA2 . 50966 1 742 . 1 . 1 76 76 GLY HA3 H 1 3.814 0.011 . 2 . . . . . 386 GLY HA3 . 50966 1 743 . 1 . 1 76 76 GLY C C 13 172.179 0.016 . 1 . . . . . 386 GLY C . 50966 1 744 . 1 . 1 76 76 GLY CA C 13 45.120 0.005 . 1 . . . . . 386 GLY CA . 50966 1 745 . 1 . 1 76 76 GLY N N 15 107.579 0.018 . 1 . . . . . 386 GLY N . 50966 1 746 . 1 . 1 77 77 ILE H H 1 8.979 0.007 . 1 . . . . . 387 ILE H . 50966 1 747 . 1 . 1 77 77 ILE HA H 1 4.699 0.004 . 1 . . . . . 387 ILE HA . 50966 1 748 . 1 . 1 77 77 ILE HB H 1 1.566 0.004 . 1 . . . . . 387 ILE HB . 50966 1 749 . 1 . 1 77 77 ILE HG12 H 1 1.329 0.002 . 2 . . . . . 387 ILE HG12 . 50966 1 750 . 1 . 1 77 77 ILE HG13 H 1 1.272 0.000 . 2 . . . . . 387 ILE HG13 . 50966 1 751 . 1 . 1 77 77 ILE HG21 H 1 0.907 0.009 . 1 . . . . . 387 ILE HG21 . 50966 1 752 . 1 . 1 77 77 ILE HG22 H 1 0.907 0.009 . 1 . . . . . 387 ILE HG22 . 50966 1 753 . 1 . 1 77 77 ILE HG23 H 1 0.907 0.009 . 1 . . . . . 387 ILE HG23 . 50966 1 754 . 1 . 1 77 77 ILE HD11 H 1 0.691 0.007 . 1 . . . . . 387 ILE HD11 . 50966 1 755 . 1 . 1 77 77 ILE HD12 H 1 0.691 0.007 . 1 . . . . . 387 ILE HD12 . 50966 1 756 . 1 . 1 77 77 ILE HD13 H 1 0.691 0.007 . 1 . . . . . 387 ILE HD13 . 50966 1 757 . 1 . 1 77 77 ILE C C 13 174.631 0.016 . 1 . . . . . 387 ILE C . 50966 1 758 . 1 . 1 77 77 ILE CA C 13 59.979 0.030 . 1 . . . . . 387 ILE CA . 50966 1 759 . 1 . 1 77 77 ILE CB C 13 41.833 0.046 . 1 . . . . . 387 ILE CB . 50966 1 760 . 1 . 1 77 77 ILE CG1 C 13 27.592 0.000 . 1 . . . . . 387 ILE CG1 . 50966 1 761 . 1 . 1 77 77 ILE CG2 C 13 18.568 0.000 . 1 . . . . . 387 ILE CG2 . 50966 1 762 . 1 . 1 77 77 ILE CD1 C 13 13.732 0.000 . 1 . . . . . 387 ILE CD1 . 50966 1 763 . 1 . 1 77 77 ILE N N 15 120.653 0.025 . 1 . . . . . 387 ILE N . 50966 1 764 . 1 . 1 78 78 GLU H H 1 8.637 0.008 . 1 . . . . . 388 GLU H . 50966 1 765 . 1 . 1 78 78 GLU HA H 1 5.228 0.003 . 1 . . . . . 388 GLU HA . 50966 1 766 . 1 . 1 78 78 GLU HB2 H 1 1.965 0.017 . 1 . . . . . 388 GLU HB2 . 50966 1 767 . 1 . 1 78 78 GLU HG2 H 1 2.171 0.019 . 1 . . . . . 388 GLU HG2 . 50966 1 768 . 1 . 1 78 78 GLU C C 13 175.517 0.010 . 1 . . . . . 388 GLU C . 50966 1 769 . 1 . 1 78 78 GLU CA C 13 54.508 0.018 . 1 . . . . . 388 GLU CA . 50966 1 770 . 1 . 1 78 78 GLU CB C 13 32.941 0.037 . 1 . . . . . 388 GLU CB . 50966 1 771 . 1 . 1 78 78 GLU CG C 13 36.362 0.003 . 1 . . . . . 388 GLU CG . 50966 1 772 . 1 . 1 78 78 GLU N N 15 124.491 0.042 . 1 . . . . . 388 GLU N . 50966 1 773 . 1 . 1 79 79 GLY H H 1 8.498 0.006 . 1 . . . . . 389 GLY H . 50966 1 774 . 1 . 1 79 79 GLY HA2 H 1 4.135 0.016 . 2 . . . . . 389 GLY HA2 . 50966 1 775 . 1 . 1 79 79 GLY HA3 H 1 4.696 0.007 . 2 . . . . . 389 GLY HA3 . 50966 1 776 . 1 . 1 79 79 GLY C C 13 171.265 0.019 . 1 . . . . . 389 GLY C . 50966 1 777 . 1 . 1 79 79 GLY CA C 13 45.721 0.013 . 1 . . . . . 389 GLY CA . 50966 1 778 . 1 . 1 79 79 GLY N N 15 109.616 0.028 . 1 . . . . . 389 GLY N . 50966 1 779 . 1 . 1 80 80 ARG H H 1 8.082 0.007 . 1 . . . . . 390 ARG H . 50966 1 780 . 1 . 1 80 80 ARG HA H 1 5.463 0.012 . 1 . . . . . 390 ARG HA . 50966 1 781 . 1 . 1 80 80 ARG HB2 H 1 1.790 0.015 . 1 . . . . . 390 ARG HB2 . 50966 1 782 . 1 . 1 80 80 ARG HG2 H 1 1.593 0.021 . 2 . . . . . 390 ARG HG2 . 50966 1 783 . 1 . 1 80 80 ARG HG3 H 1 1.535 0.002 . 2 . . . . . 390 ARG HG3 . 50966 1 784 . 1 . 1 80 80 ARG HD2 H 1 3.148 0.000 . 1 . . . . . 390 ARG HD2 . 50966 1 785 . 1 . 1 80 80 ARG C C 13 175.267 0.019 . 1 . . . . . 390 ARG C . 50966 1 786 . 1 . 1 80 80 ARG CA C 13 54.591 0.023 . 1 . . . . . 390 ARG CA . 50966 1 787 . 1 . 1 80 80 ARG CB C 13 33.520 0.010 . 1 . . . . . 390 ARG CB . 50966 1 788 . 1 . 1 80 80 ARG CG C 13 27.758 0.041 . 1 . . . . . 390 ARG CG . 50966 1 789 . 1 . 1 80 80 ARG CD C 13 43.598 0.000 . 1 . . . . . 390 ARG CD . 50966 1 790 . 1 . 1 80 80 ARG N N 15 120.642 0.019 . 1 . . . . . 390 ARG N . 50966 1 791 . 1 . 1 81 81 LEU H H 1 8.849 0.007 . 1 . . . . . 391 LEU H . 50966 1 792 . 1 . 1 81 81 LEU HA H 1 5.078 0.004 . 1 . . . . . 391 LEU HA . 50966 1 793 . 1 . 1 81 81 LEU HB2 H 1 1.481 0.013 . 1 . . . . . 391 LEU HB2 . 50966 1 794 . 1 . 1 81 81 LEU HG H 1 1.526 0.000 . 1 . . . . . 391 LEU HG . 50966 1 795 . 1 . 1 81 81 LEU HD11 H 1 0.872 0.000 . 2 . . . . . 391 LEU HD11 . 50966 1 796 . 1 . 1 81 81 LEU HD12 H 1 0.872 0.000 . 2 . . . . . 391 LEU HD12 . 50966 1 797 . 1 . 1 81 81 LEU HD13 H 1 0.872 0.000 . 2 . . . . . 391 LEU HD13 . 50966 1 798 . 1 . 1 81 81 LEU HD21 H 1 0.828 0.000 . 2 . . . . . 391 LEU HD21 . 50966 1 799 . 1 . 1 81 81 LEU HD22 H 1 0.828 0.000 . 2 . . . . . 391 LEU HD22 . 50966 1 800 . 1 . 1 81 81 LEU HD23 H 1 0.828 0.000 . 2 . . . . . 391 LEU HD23 . 50966 1 801 . 1 . 1 81 81 LEU C C 13 175.497 0.005 . 1 . . . . . 391 LEU C . 50966 1 802 . 1 . 1 81 81 LEU CA C 13 54.472 0.040 . 1 . . . . . 391 LEU CA . 50966 1 803 . 1 . 1 81 81 LEU CB C 13 46.693 0.046 . 1 . . . . . 391 LEU CB . 50966 1 804 . 1 . 1 81 81 LEU CG C 13 27.043 0.000 . 1 . . . . . 391 LEU CG . 50966 1 805 . 1 . 1 81 81 LEU CD1 C 13 24.243 0.000 . 2 . . . . . 391 LEU CD1 . 50966 1 806 . 1 . 1 81 81 LEU CD2 C 13 24.145 0.000 . 2 . . . . . 391 LEU CD2 . 50966 1 807 . 1 . 1 81 81 LEU N N 15 121.965 0.035 . 1 . . . . . 391 LEU N . 50966 1 808 . 1 . 1 82 82 THR H H 1 8.869 0.006 . 1 . . . . . 392 THR H . 50966 1 809 . 1 . 1 82 82 THR HA H 1 5.181 0.015 . 1 . . . . . 392 THR HA . 50966 1 810 . 1 . 1 82 82 THR HB H 1 3.944 0.008 . 1 . . . . . 392 THR HB . 50966 1 811 . 1 . 1 82 82 THR HG21 H 1 1.125 0.000 . 1 . . . . . 392 THR HG21 . 50966 1 812 . 1 . 1 82 82 THR HG22 H 1 1.125 0.000 . 1 . . . . . 392 THR HG22 . 50966 1 813 . 1 . 1 82 82 THR HG23 H 1 1.125 0.000 . 1 . . . . . 392 THR HG23 . 50966 1 814 . 1 . 1 82 82 THR C C 13 173.071 0.023 . 1 . . . . . 392 THR C . 50966 1 815 . 1 . 1 82 82 THR CA C 13 61.935 0.049 . 1 . . . . . 392 THR CA . 50966 1 816 . 1 . 1 82 82 THR CB C 13 70.732 0.032 . 1 . . . . . 392 THR CB . 50966 1 817 . 1 . 1 82 82 THR CG2 C 13 21.947 0.000 . 1 . . . . . 392 THR CG2 . 50966 1 818 . 1 . 1 82 82 THR N N 15 118.239 0.030 . 1 . . . . . 392 THR N . 50966 1 819 . 1 . 1 83 83 LEU H H 1 9.427 0.008 . 1 . . . . . 393 LEU H . 50966 1 820 . 1 . 1 83 83 LEU HA H 1 5.359 0.004 . 1 . . . . . 393 LEU HA . 50966 1 821 . 1 . 1 83 83 LEU HB2 H 1 1.402 0.014 . 2 . . . . . 393 LEU HB2 . 50966 1 822 . 1 . 1 83 83 LEU HB3 H 1 1.108 0.000 . 2 . . . . . 393 LEU HB3 . 50966 1 823 . 1 . 1 83 83 LEU HG H 1 1.109 0.000 . 1 . . . . . 393 LEU HG . 50966 1 824 . 1 . 1 83 83 LEU HD11 H 1 0.346 0.001 . 2 . . . . . 393 LEU HD11 . 50966 1 825 . 1 . 1 83 83 LEU HD12 H 1 0.346 0.001 . 2 . . . . . 393 LEU HD12 . 50966 1 826 . 1 . 1 83 83 LEU HD13 H 1 0.346 0.001 . 2 . . . . . 393 LEU HD13 . 50966 1 827 . 1 . 1 83 83 LEU HD21 H 1 0.328 0.000 . 2 . . . . . 393 LEU HD21 . 50966 1 828 . 1 . 1 83 83 LEU HD22 H 1 0.328 0.000 . 2 . . . . . 393 LEU HD22 . 50966 1 829 . 1 . 1 83 83 LEU HD23 H 1 0.328 0.000 . 2 . . . . . 393 LEU HD23 . 50966 1 830 . 1 . 1 83 83 LEU C C 13 175.495 0.022 . 1 . . . . . 393 LEU C . 50966 1 831 . 1 . 1 83 83 LEU CA C 13 53.523 0.026 . 1 . . . . . 393 LEU CA . 50966 1 832 . 1 . 1 83 83 LEU CB C 13 43.796 0.021 . 1 . . . . . 393 LEU CB . 50966 1 833 . 1 . 1 83 83 LEU CD1 C 13 25.835 0.000 . 1 . . . . . 393 LEU CD1 . 50966 1 834 . 1 . 1 83 83 LEU N N 15 127.404 0.030 . 1 . . . . . 393 LEU N . 50966 1 835 . 1 . 1 84 84 GLU H H 1 8.930 0.005 . 1 . . . . . 394 GLU H . 50966 1 836 . 1 . 1 84 84 GLU HA H 1 4.884 0.002 . 1 . . . . . 394 GLU HA . 50966 1 837 . 1 . 1 84 84 GLU HB2 H 1 1.940 0.010 . 1 . . . . . 394 GLU HB2 . 50966 1 838 . 1 . 1 84 84 GLU HG2 H 1 2.358 0.003 . 2 . . . . . 394 GLU HG2 . 50966 1 839 . 1 . 1 84 84 GLU HG3 H 1 2.256 0.000 . 2 . . . . . 394 GLU HG3 . 50966 1 840 . 1 . 1 84 84 GLU C C 13 176.547 0.003 . 1 . . . . . 394 GLU C . 50966 1 841 . 1 . 1 84 84 GLU CA C 13 54.901 0.032 . 1 . . . . . 394 GLU CA . 50966 1 842 . 1 . 1 84 84 GLU CB C 13 34.222 0.043 . 1 . . . . . 394 GLU CB . 50966 1 843 . 1 . 1 84 84 GLU CG C 13 37.763 0.000 . 1 . . . . . 394 GLU CG . 50966 1 844 . 1 . 1 84 84 GLU N N 15 121.031 0.035 . 1 . . . . . 394 GLU N . 50966 1 845 . 1 . 1 85 85 GLY H H 1 9.298 0.006 . 1 . . . . . 395 GLY H . 50966 1 846 . 1 . 1 85 85 GLY HA2 H 1 4.251 0.012 . 2 . . . . . 395 GLY HA2 . 50966 1 847 . 1 . 1 85 85 GLY HA3 H 1 3.923 0.008 . 2 . . . . . 395 GLY HA3 . 50966 1 848 . 1 . 1 85 85 GLY C C 13 173.689 0.006 . 1 . . . . . 395 GLY C . 50966 1 849 . 1 . 1 85 85 GLY CA C 13 45.840 0.015 . 1 . . . . . 395 GLY CA . 50966 1 850 . 1 . 1 85 85 GLY N N 15 109.881 0.033 . 1 . . . . . 395 GLY N . 50966 1 851 . 1 . 1 86 86 ASN H H 1 8.436 0.009 . 1 . . . . . 396 ASN H . 50966 1 852 . 1 . 1 86 86 ASN HA H 1 4.782 0.009 . 1 . . . . . 396 ASN HA . 50966 1 853 . 1 . 1 86 86 ASN HB2 H 1 2.695 0.014 . 2 . . . . . 396 ASN HB2 . 50966 1 854 . 1 . 1 86 86 ASN HB3 H 1 2.645 0.015 . 2 . . . . . 396 ASN HB3 . 50966 1 855 . 1 . 1 86 86 ASN HD21 H 1 7.368 0.000 . 1 . . . . . 396 ASN HD21 . 50966 1 856 . 1 . 1 86 86 ASN HD22 H 1 6.593 0.000 . 1 . . . . . 396 ASN HD22 . 50966 1 857 . 1 . 1 86 86 ASN C C 13 175.181 0.023 . 1 . . . . . 396 ASN C . 50966 1 858 . 1 . 1 86 86 ASN CA C 13 52.676 0.021 . 1 . . . . . 396 ASN CA . 50966 1 859 . 1 . 1 86 86 ASN CB C 13 38.960 0.042 . 1 . . . . . 396 ASN CB . 50966 1 860 . 1 . 1 86 86 ASN N N 15 119.623 0.038 . 1 . . . . . 396 ASN N . 50966 1 861 . 1 . 1 86 86 ASN ND2 N 15 110.990 0.028 . 1 . . . . . 396 ASN ND2 . 50966 1 862 . 1 . 1 87 87 ASP H H 1 8.399 0.007 . 1 . . . . . 397 ASP H . 50966 1 863 . 1 . 1 87 87 ASP HA H 1 4.535 0.005 . 1 . . . . . 397 ASP HA . 50966 1 864 . 1 . 1 87 87 ASP HB2 H 1 2.633 0.012 . 1 . . . . . 397 ASP HB2 . 50966 1 865 . 1 . 1 87 87 ASP C C 13 174.758 0.003 . 1 . . . . . 397 ASP C . 50966 1 866 . 1 . 1 87 87 ASP CA C 13 54.362 0.065 . 1 . . . . . 397 ASP CA . 50966 1 867 . 1 . 1 87 87 ASP CB C 13 41.154 0.031 . 1 . . . . . 397 ASP CB . 50966 1 868 . 1 . 1 87 87 ASP N N 15 120.079 0.022 . 1 . . . . . 397 ASP N . 50966 1 869 . 1 . 1 88 88 ALA H H 1 7.791 0.007 . 1 . . . . . 398 ALA H . 50966 1 870 . 1 . 1 88 88 ALA HA H 1 4.069 0.000 . 1 . . . . . 398 ALA HA . 50966 1 871 . 1 . 1 88 88 ALA HB1 H 1 1.294 0.000 . 1 . . . . . 398 ALA HB1 . 50966 1 872 . 1 . 1 88 88 ALA HB2 H 1 1.294 0.000 . 1 . . . . . 398 ALA HB2 . 50966 1 873 . 1 . 1 88 88 ALA HB3 H 1 1.294 0.000 . 1 . . . . . 398 ALA HB3 . 50966 1 874 . 1 . 1 88 88 ALA C C 13 176.305 0.000 . 1 . . . . . 398 ALA C . 50966 1 875 . 1 . 1 88 88 ALA CA C 13 53.838 0.041 . 1 . . . . . 398 ALA CA . 50966 1 876 . 1 . 1 88 88 ALA CB C 13 20.221 0.020 . 1 . . . . . 398 ALA CB . 50966 1 877 . 1 . 1 88 88 ALA N N 15 129.077 0.016 . 1 . . . . . 398 ALA N . 50966 1 stop_ save_