data_34630 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34630 _Entry.Title ; The NMR structure of the Zf-GRF domains from the mouse Endonuclease VIII-LIKE 3 (mNEIL3) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-24 _Entry.Accession_date 2021-05-24 _Entry.Last_release_date 2021-06-15 _Entry.Original_release_date 2021-06-15 _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 NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 D. Dinesh D. C. . . 34630 2 A. Huskova A. . . . 34630 3 P. Srb P. . . . 34630 4 V. Veverka V. . . . 34630 5 J. Silhan J. . . . 34630 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA BINDING PROTEIN' . 34630 'DNA damage' . 34630 'DNA repair' . 34630 NEIL3-GRF . 34630 'Zinc Finger' . 34630 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34630 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 405 34630 '15N chemical shifts' 99 34630 '1H chemical shifts' 659 34630 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-05-26 . original BMRB . 34630 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7OMK 'BMRB Entry Tracking System' 34630 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34630 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The NMR structure of the Zf-GRF domains from the mouse Endonuclease VIII-LIKE 3 (mNEIL3) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 D. Dinesh D. C. . . 34630 1 2 A. Huskova A. . . . 34630 1 3 P. Srb P. . . . 34630 1 4 V. Veverka V. . . . 34630 1 5 J. Silhan J. . . . 34630 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34630 _Assembly.ID 1 _Assembly.Name 'Endonuclease 8-like 3 (E.C.3.2.2.-,4.2.99.18)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34630 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34630 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SPLCKMHHRRCVLRVVRKDG ENKGRQFYACSLPRGAQCGF FEWADLSFPFCKHGKRSIMK TVLKIGPNNGKNFFVCPLEK EKQCNFFQWAENG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 3.2.2.-,4.2.99.18 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10818.668 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DNA glycosylase FPG2' common 34630 1 'DNA glycosylase/AP lyase Neil3' common 34630 1 'Endonuclease VIII-like 3' common 34630 1 'Nei-like protein 3' common 34630 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 505 SER . 34630 1 2 506 PRO . 34630 1 3 507 LEU . 34630 1 4 508 CYS . 34630 1 5 509 LYS . 34630 1 6 510 MET . 34630 1 7 511 HIS . 34630 1 8 512 HIS . 34630 1 9 513 ARG . 34630 1 10 514 ARG . 34630 1 11 515 CYS . 34630 1 12 516 VAL . 34630 1 13 517 LEU . 34630 1 14 518 ARG . 34630 1 15 519 VAL . 34630 1 16 520 VAL . 34630 1 17 521 ARG . 34630 1 18 522 LYS . 34630 1 19 523 ASP . 34630 1 20 524 GLY . 34630 1 21 525 GLU . 34630 1 22 526 ASN . 34630 1 23 527 LYS . 34630 1 24 528 GLY . 34630 1 25 529 ARG . 34630 1 26 530 GLN . 34630 1 27 531 PHE . 34630 1 28 532 TYR . 34630 1 29 533 ALA . 34630 1 30 534 CYS . 34630 1 31 535 SER . 34630 1 32 536 LEU . 34630 1 33 537 PRO . 34630 1 34 538 ARG . 34630 1 35 539 GLY . 34630 1 36 540 ALA . 34630 1 37 541 GLN . 34630 1 38 542 CYS . 34630 1 39 543 GLY . 34630 1 40 544 PHE . 34630 1 41 545 PHE . 34630 1 42 546 GLU . 34630 1 43 547 TRP . 34630 1 44 548 ALA . 34630 1 45 549 ASP . 34630 1 46 550 LEU . 34630 1 47 551 SER . 34630 1 48 552 PHE . 34630 1 49 553 PRO . 34630 1 50 554 PHE . 34630 1 51 555 CYS . 34630 1 52 556 LYS . 34630 1 53 557 HIS . 34630 1 54 558 GLY . 34630 1 55 559 LYS . 34630 1 56 560 ARG . 34630 1 57 561 SER . 34630 1 58 562 ILE . 34630 1 59 563 MET . 34630 1 60 564 LYS . 34630 1 61 565 THR . 34630 1 62 566 VAL . 34630 1 63 567 LEU . 34630 1 64 568 LYS . 34630 1 65 569 ILE . 34630 1 66 570 GLY . 34630 1 67 571 PRO . 34630 1 68 572 ASN . 34630 1 69 573 ASN . 34630 1 70 574 GLY . 34630 1 71 575 LYS . 34630 1 72 576 ASN . 34630 1 73 577 PHE . 34630 1 74 578 PHE . 34630 1 75 579 VAL . 34630 1 76 580 CYS . 34630 1 77 581 PRO . 34630 1 78 582 LEU . 34630 1 79 583 GLU . 34630 1 80 584 LYS . 34630 1 81 585 GLU . 34630 1 82 586 LYS . 34630 1 83 587 GLN . 34630 1 84 588 CYS . 34630 1 85 589 ASN . 34630 1 86 590 PHE . 34630 1 87 591 PHE . 34630 1 88 592 GLN . 34630 1 89 593 TRP . 34630 1 90 594 ALA . 34630 1 91 595 GLU . 34630 1 92 596 ASN . 34630 1 93 597 GLY . 34630 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 34630 1 . PRO 2 2 34630 1 . LEU 3 3 34630 1 . CYS 4 4 34630 1 . LYS 5 5 34630 1 . MET 6 6 34630 1 . HIS 7 7 34630 1 . HIS 8 8 34630 1 . ARG 9 9 34630 1 . ARG 10 10 34630 1 . CYS 11 11 34630 1 . VAL 12 12 34630 1 . LEU 13 13 34630 1 . ARG 14 14 34630 1 . VAL 15 15 34630 1 . VAL 16 16 34630 1 . ARG 17 17 34630 1 . LYS 18 18 34630 1 . ASP 19 19 34630 1 . GLY 20 20 34630 1 . GLU 21 21 34630 1 . ASN 22 22 34630 1 . LYS 23 23 34630 1 . GLY 24 24 34630 1 . ARG 25 25 34630 1 . GLN 26 26 34630 1 . PHE 27 27 34630 1 . TYR 28 28 34630 1 . ALA 29 29 34630 1 . CYS 30 30 34630 1 . SER 31 31 34630 1 . LEU 32 32 34630 1 . PRO 33 33 34630 1 . ARG 34 34 34630 1 . GLY 35 35 34630 1 . ALA 36 36 34630 1 . GLN 37 37 34630 1 . CYS 38 38 34630 1 . GLY 39 39 34630 1 . PHE 40 40 34630 1 . PHE 41 41 34630 1 . GLU 42 42 34630 1 . TRP 43 43 34630 1 . ALA 44 44 34630 1 . ASP 45 45 34630 1 . LEU 46 46 34630 1 . SER 47 47 34630 1 . PHE 48 48 34630 1 . PRO 49 49 34630 1 . PHE 50 50 34630 1 . CYS 51 51 34630 1 . LYS 52 52 34630 1 . HIS 53 53 34630 1 . GLY 54 54 34630 1 . LYS 55 55 34630 1 . ARG 56 56 34630 1 . SER 57 57 34630 1 . ILE 58 58 34630 1 . MET 59 59 34630 1 . LYS 60 60 34630 1 . THR 61 61 34630 1 . VAL 62 62 34630 1 . LEU 63 63 34630 1 . LYS 64 64 34630 1 . ILE 65 65 34630 1 . GLY 66 66 34630 1 . PRO 67 67 34630 1 . ASN 68 68 34630 1 . ASN 69 69 34630 1 . GLY 70 70 34630 1 . LYS 71 71 34630 1 . ASN 72 72 34630 1 . PHE 73 73 34630 1 . PHE 74 74 34630 1 . VAL 75 75 34630 1 . CYS 76 76 34630 1 . PRO 77 77 34630 1 . LEU 78 78 34630 1 . GLU 79 79 34630 1 . LYS 80 80 34630 1 . GLU 81 81 34630 1 . LYS 82 82 34630 1 . GLN 83 83 34630 1 . CYS 84 84 34630 1 . ASN 85 85 34630 1 . PHE 86 86 34630 1 . PHE 87 87 34630 1 . GLN 88 88 34630 1 . TRP 89 89 34630 1 . ALA 90 90 34630 1 . GLU 91 91 34630 1 . ASN 92 92 34630 1 . GLY 93 93 34630 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 34630 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . Neil3 . 34630 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 34630 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21' . 'N-terminal His-SUMO tag' 511693 . . . STAR . 'Expression vector' . . pSUMO . . . 34630 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34630 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '250 uM [U-13C; U-15N] NEIL3-GRF, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NEIL3-GRF '[U-13C; U-15N]' . . 1 $entity_1 . . 250 . . uM . . . . 34630 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 34630 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 34630 1 pH 6.5 . pH 34630 1 pressure 1 . atm 34630 1 temperature 298 . K 34630 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34630 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34630 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34630 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34630 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL' . . 34630 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34630 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34630 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34630 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34630 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34630 _Software.ID 4 _Software.Type . _Software.Name YASARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID YASARA . . 34630 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34630 4 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 34630 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34630 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AVANCE . 850 . . . 34630 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 34630 _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 . . . . . . . . . . . . . . . . . 34630 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34630 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34630 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34630 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34630 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34630 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34630 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34630 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34630 1 10 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34630 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34630 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 34630 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34630 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34630 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34630 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 34630 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34630 1 2 '2D 1H-13C HSQC' . . . 34630 1 3 '3D HNCO' . . . 34630 1 4 '3D HNCACB' . . . 34630 1 5 '3D HBHA(CO)NH' . . . 34630 1 6 '3D HN(CO)CA' . . . 34630 1 7 '3D 1H-13C NOESY' . . . 34630 1 8 '3D 1H-15N NOESY' . . . 34630 1 9 '3D CBCA(CO)NH' . . . 34630 1 10 '3D H(CCO)NH' . . . 34630 1 11 '3D HCCH-TOCSY' . . . 34630 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 1 1 SER HA H 1 3.759 0.000 . . . . . . A 505 SER HA . 34630 1 2 . 1 . 1 1 1 SER HB2 H 1 3.487 0.001 . . . . . . A 505 SER HB2 . 34630 1 3 . 1 . 1 1 1 SER HB3 H 1 3.728 0.000 . . . . . . A 505 SER HB3 . 34630 1 4 . 1 . 1 1 1 SER CA C 13 55.481 0.016 . . . . . . A 505 SER CA . 34630 1 5 . 1 . 1 1 1 SER CB C 13 62.582 0.003 . . . . . . A 505 SER CB . 34630 1 6 . 1 . 1 2 2 PRO HA H 1 4.406 0.000 . . . . . . A 506 PRO HA . 34630 1 7 . 1 . 1 2 2 PRO HB2 H 1 2.182 0.000 . . . . . . A 506 PRO HB2 . 34630 1 8 . 1 . 1 2 2 PRO HB3 H 1 1.572 0.000 . . . . . . A 506 PRO HB3 . 34630 1 9 . 1 . 1 2 2 PRO HG2 H 1 1.377 0.000 . . . . . . A 506 PRO HG2 . 34630 1 10 . 1 . 1 2 2 PRO HG3 H 1 1.707 0.000 . . . . . . A 506 PRO HG3 . 34630 1 11 . 1 . 1 2 2 PRO HD2 H 1 2.742 0.000 . . . . . . A 506 PRO HD2 . 34630 1 12 . 1 . 1 2 2 PRO HD3 H 1 1.853 0.000 . . . . . . A 506 PRO HD3 . 34630 1 13 . 1 . 1 2 2 PRO C C 13 174.804 0.004 . . . . . . A 506 PRO C . 34630 1 14 . 1 . 1 2 2 PRO CA C 13 62.406 0.020 . . . . . . A 506 PRO CA . 34630 1 15 . 1 . 1 2 2 PRO CB C 13 32.308 0.055 . . . . . . A 506 PRO CB . 34630 1 16 . 1 . 1 2 2 PRO CG C 13 27.117 0.013 . . . . . . A 506 PRO CG . 34630 1 17 . 1 . 1 2 2 PRO CD C 13 49.017 0.003 . . . . . . A 506 PRO CD . 34630 1 18 . 1 . 1 3 3 LEU H H 1 8.031 0.001 . . . . . . A 507 LEU H . 34630 1 19 . 1 . 1 3 3 LEU HA H 1 4.486 0.000 . . . . . . A 507 LEU HA . 34630 1 20 . 1 . 1 3 3 LEU HB2 H 1 1.386 0.001 . . . . . . A 507 LEU HB2 . 34630 1 21 . 1 . 1 3 3 LEU HB3 H 1 0.800 0.000 . . . . . . A 507 LEU HB3 . 34630 1 22 . 1 . 1 3 3 LEU HG H 1 1.432 0.000 . . . . . . A 507 LEU HG . 34630 1 23 . 1 . 1 3 3 LEU HD11 H 1 0.645 0.000 . . . . . . A 507 LEU HD11 . 34630 1 24 . 1 . 1 3 3 LEU HD12 H 1 0.645 0.000 . . . . . . A 507 LEU HD12 . 34630 1 25 . 1 . 1 3 3 LEU HD13 H 1 0.645 0.000 . . . . . . A 507 LEU HD13 . 34630 1 26 . 1 . 1 3 3 LEU HD21 H 1 0.467 0.000 . . . . . . A 507 LEU HD21 . 34630 1 27 . 1 . 1 3 3 LEU HD22 H 1 0.467 0.000 . . . . . . A 507 LEU HD22 . 34630 1 28 . 1 . 1 3 3 LEU HD23 H 1 0.467 0.000 . . . . . . A 507 LEU HD23 . 34630 1 29 . 1 . 1 3 3 LEU C C 13 177.097 0.003 . . . . . . A 507 LEU C . 34630 1 30 . 1 . 1 3 3 LEU CA C 13 52.873 0.057 . . . . . . A 507 LEU CA . 34630 1 31 . 1 . 1 3 3 LEU CB C 13 43.085 0.039 . . . . . . A 507 LEU CB . 34630 1 32 . 1 . 1 3 3 LEU CG C 13 27.092 0.000 . . . . . . A 507 LEU CG . 34630 1 33 . 1 . 1 3 3 LEU CD1 C 13 25.074 0.000 . . . . . . A 507 LEU CD1 . 34630 1 34 . 1 . 1 3 3 LEU CD2 C 13 23.074 0.000 . . . . . . A 507 LEU CD2 . 34630 1 35 . 1 . 1 3 3 LEU N N 15 119.179 0.011 . . . . . . A 507 LEU N . 34630 1 36 . 1 . 1 4 4 CYS H H 1 8.001 0.002 . . . . . . A 508 CYS H . 34630 1 37 . 1 . 1 4 4 CYS HA H 1 3.340 0.000 . . . . . . A 508 CYS HA . 34630 1 38 . 1 . 1 4 4 CYS HB2 H 1 3.057 0.000 . . . . . . A 508 CYS HB2 . 34630 1 39 . 1 . 1 4 4 CYS HB3 H 1 2.558 0.000 . . . . . . A 508 CYS HB3 . 34630 1 40 . 1 . 1 4 4 CYS C C 13 175.735 0.004 . . . . . . A 508 CYS C . 34630 1 41 . 1 . 1 4 4 CYS CA C 13 57.461 0.029 . . . . . . A 508 CYS CA . 34630 1 42 . 1 . 1 4 4 CYS CB C 13 29.777 0.058 . . . . . . A 508 CYS CB . 34630 1 43 . 1 . 1 4 4 CYS N N 15 118.751 0.022 . . . . . . A 508 CYS N . 34630 1 44 . 1 . 1 5 5 LYS H H 1 7.084 0.003 . . . . . . A 509 LYS H . 34630 1 45 . 1 . 1 5 5 LYS HA H 1 3.989 0.000 . . . . . . A 509 LYS HA . 34630 1 46 . 1 . 1 5 5 LYS HB2 H 1 1.946 0.000 . . . . . . A 509 LYS HB2 . 34630 1 47 . 1 . 1 5 5 LYS HB3 H 1 1.946 0.000 . . . . . . A 509 LYS HB3 . 34630 1 48 . 1 . 1 5 5 LYS HG2 H 1 1.505 0.000 . . . . . . A 509 LYS HG2 . 34630 1 49 . 1 . 1 5 5 LYS HG3 H 1 1.613 0.000 . . . . . . A 509 LYS HG3 . 34630 1 50 . 1 . 1 5 5 LYS HD2 H 1 1.775 0.000 . . . . . . A 509 LYS HD2 . 34630 1 51 . 1 . 1 5 5 LYS HD3 H 1 1.775 0.000 . . . . . . A 509 LYS HD3 . 34630 1 52 . 1 . 1 5 5 LYS HE2 H 1 3.091 0.000 . . . . . . A 509 LYS HE2 . 34630 1 53 . 1 . 1 5 5 LYS HE3 H 1 3.091 0.000 . . . . . . A 509 LYS HE3 . 34630 1 54 . 1 . 1 5 5 LYS C C 13 178.451 0.005 . . . . . . A 509 LYS C . 34630 1 55 . 1 . 1 5 5 LYS CA C 13 58.632 0.023 . . . . . . A 509 LYS CA . 34630 1 56 . 1 . 1 5 5 LYS CB C 13 32.510 0.018 . . . . . . A 509 LYS CB . 34630 1 57 . 1 . 1 5 5 LYS CG C 13 25.331 0.072 . . . . . . A 509 LYS CG . 34630 1 58 . 1 . 1 5 5 LYS CD C 13 29.102 0.000 . . . . . . A 509 LYS CD . 34630 1 59 . 1 . 1 5 5 LYS CE C 13 42.311 0.000 . . . . . . A 509 LYS CE . 34630 1 60 . 1 . 1 5 5 LYS N N 15 122.357 0.030 . . . . . . A 509 LYS N . 34630 1 61 . 1 . 1 6 6 MET H H 1 8.335 0.001 . . . . . . A 510 MET H . 34630 1 62 . 1 . 1 6 6 MET HA H 1 4.072 0.000 . . . . . . A 510 MET HA . 34630 1 63 . 1 . 1 6 6 MET HB2 H 1 1.449 0.000 . . . . . . A 510 MET HB2 . 34630 1 64 . 1 . 1 6 6 MET HB3 H 1 1.867 0.000 . . . . . . A 510 MET HB3 . 34630 1 65 . 1 . 1 6 6 MET HG2 H 1 2.300 0.000 . . . . . . A 510 MET HG2 . 34630 1 66 . 1 . 1 6 6 MET HG3 H 1 2.013 0.000 . . . . . . A 510 MET HG3 . 34630 1 67 . 1 . 1 6 6 MET HE1 H 1 2.041 0.000 . . . . . . A 510 MET HE1 . 34630 1 68 . 1 . 1 6 6 MET HE2 H 1 2.041 0.000 . . . . . . A 510 MET HE2 . 34630 1 69 . 1 . 1 6 6 MET HE3 H 1 2.041 0.000 . . . . . . A 510 MET HE3 . 34630 1 70 . 1 . 1 6 6 MET C C 13 177.287 0.025 . . . . . . A 510 MET C . 34630 1 71 . 1 . 1 6 6 MET CA C 13 57.434 0.027 . . . . . . A 510 MET CA . 34630 1 72 . 1 . 1 6 6 MET CB C 13 32.486 0.059 . . . . . . A 510 MET CB . 34630 1 73 . 1 . 1 6 6 MET CG C 13 31.804 0.074 . . . . . . A 510 MET CG . 34630 1 74 . 1 . 1 6 6 MET CE C 13 17.197 0.000 . . . . . . A 510 MET CE . 34630 1 75 . 1 . 1 6 6 MET N N 15 115.064 0.009 . . . . . . A 510 MET N . 34630 1 76 . 1 . 1 7 7 HIS H H 1 8.084 0.003 . . . . . . A 511 HIS H . 34630 1 77 . 1 . 1 7 7 HIS HA H 1 4.691 0.001 . . . . . . A 511 HIS HA . 34630 1 78 . 1 . 1 7 7 HIS HB2 H 1 3.254 0.003 . . . . . . A 511 HIS HB2 . 34630 1 79 . 1 . 1 7 7 HIS HB3 H 1 2.661 0.000 . . . . . . A 511 HIS HB3 . 34630 1 80 . 1 . 1 7 7 HIS HD2 H 1 7.255 0.008 . . . . . . A 511 HIS HD2 . 34630 1 81 . 1 . 1 7 7 HIS HE1 H 1 8.154 0.004 . . . . . . A 511 HIS HE1 . 34630 1 82 . 1 . 1 7 7 HIS C C 13 174.330 0.003 . . . . . . A 511 HIS C . 34630 1 83 . 1 . 1 7 7 HIS CA C 13 56.349 0.029 . . . . . . A 511 HIS CA . 34630 1 84 . 1 . 1 7 7 HIS CB C 13 31.068 0.045 . . . . . . A 511 HIS CB . 34630 1 85 . 1 . 1 7 7 HIS CD2 C 13 119.393 0.064 . . . . . . A 511 HIS CD2 . 34630 1 86 . 1 . 1 7 7 HIS CE1 C 13 140.236 0.000 . . . . . . A 511 HIS CE1 . 34630 1 87 . 1 . 1 7 7 HIS N N 15 112.293 0.041 . . . . . . A 511 HIS N . 34630 1 88 . 1 . 1 8 8 HIS H H 1 7.623 0.003 . . . . . . A 512 HIS H . 34630 1 89 . 1 . 1 8 8 HIS HA H 1 4.228 0.000 . . . . . . A 512 HIS HA . 34630 1 90 . 1 . 1 8 8 HIS HB2 H 1 3.276 0.000 . . . . . . A 512 HIS HB2 . 34630 1 91 . 1 . 1 8 8 HIS HB3 H 1 3.346 0.006 . . . . . . A 512 HIS HB3 . 34630 1 92 . 1 . 1 8 8 HIS HD2 H 1 7.151 0.030 . . . . . . A 512 HIS HD2 . 34630 1 93 . 1 . 1 8 8 HIS HE1 H 1 8.508 0.000 . . . . . . A 512 HIS HE1 . 34630 1 94 . 1 . 1 8 8 HIS C C 13 173.136 0.002 . . . . . . A 512 HIS C . 34630 1 95 . 1 . 1 8 8 HIS CA C 13 56.497 0.015 . . . . . . A 512 HIS CA . 34630 1 96 . 1 . 1 8 8 HIS CB C 13 26.676 0.025 . . . . . . A 512 HIS CB . 34630 1 97 . 1 . 1 8 8 HIS CD2 C 13 119.809 0.016 . . . . . . A 512 HIS CD2 . 34630 1 98 . 1 . 1 8 8 HIS CE1 C 13 136.399 0.000 . . . . . . A 512 HIS CE1 . 34630 1 99 . 1 . 1 8 8 HIS N N 15 118.046 0.014 . . . . . . A 512 HIS N . 34630 1 100 . 1 . 1 9 9 ARG H H 1 6.989 0.003 . . . . . . A 513 ARG H . 34630 1 101 . 1 . 1 9 9 ARG HA H 1 4.776 0.000 . . . . . . A 513 ARG HA . 34630 1 102 . 1 . 1 9 9 ARG HB2 H 1 1.721 0.000 . . . . . . A 513 ARG HB2 . 34630 1 103 . 1 . 1 9 9 ARG HB3 H 1 1.492 0.000 . . . . . . A 513 ARG HB3 . 34630 1 104 . 1 . 1 9 9 ARG HG2 H 1 1.586 0.000 . . . . . . A 513 ARG HG2 . 34630 1 105 . 1 . 1 9 9 ARG HG3 H 1 1.586 0.000 . . . . . . A 513 ARG HG3 . 34630 1 106 . 1 . 1 9 9 ARG HD2 H 1 3.069 0.000 . . . . . . A 513 ARG HD2 . 34630 1 107 . 1 . 1 9 9 ARG HD3 H 1 3.069 0.000 . . . . . . A 513 ARG HD3 . 34630 1 108 . 1 . 1 9 9 ARG C C 13 176.709 0.004 . . . . . . A 513 ARG C . 34630 1 109 . 1 . 1 9 9 ARG CA C 13 53.304 0.025 . . . . . . A 513 ARG CA . 34630 1 110 . 1 . 1 9 9 ARG CB C 13 33.578 0.067 . . . . . . A 513 ARG CB . 34630 1 111 . 1 . 1 9 9 ARG CG C 13 26.984 0.045 . . . . . . A 513 ARG CG . 34630 1 112 . 1 . 1 9 9 ARG CD C 13 43.100 0.006 . . . . . . A 513 ARG CD . 34630 1 113 . 1 . 1 9 9 ARG N N 15 115.685 0.015 . . . . . . A 513 ARG N . 34630 1 114 . 1 . 1 10 10 ARG H H 1 9.126 0.002 . . . . . . A 514 ARG H . 34630 1 115 . 1 . 1 10 10 ARG HA H 1 3.972 0.000 . . . . . . A 514 ARG HA . 34630 1 116 . 1 . 1 10 10 ARG HB2 H 1 1.734 0.000 . . . . . . A 514 ARG HB2 . 34630 1 117 . 1 . 1 10 10 ARG HB3 H 1 1.703 0.000 . . . . . . A 514 ARG HB3 . 34630 1 118 . 1 . 1 10 10 ARG HG2 H 1 1.652 0.000 . . . . . . A 514 ARG HG2 . 34630 1 119 . 1 . 1 10 10 ARG HG3 H 1 1.652 0.000 . . . . . . A 514 ARG HG3 . 34630 1 120 . 1 . 1 10 10 ARG HD2 H 1 3.175 0.000 . . . . . . A 514 ARG HD2 . 34630 1 121 . 1 . 1 10 10 ARG HD3 H 1 3.053 0.000 . . . . . . A 514 ARG HD3 . 34630 1 122 . 1 . 1 10 10 ARG C C 13 176.927 0.005 . . . . . . A 514 ARG C . 34630 1 123 . 1 . 1 10 10 ARG CA C 13 57.711 0.067 . . . . . . A 514 ARG CA . 34630 1 124 . 1 . 1 10 10 ARG CB C 13 29.633 0.063 . . . . . . A 514 ARG CB . 34630 1 125 . 1 . 1 10 10 ARG CG C 13 26.809 0.096 . . . . . . A 514 ARG CG . 34630 1 126 . 1 . 1 10 10 ARG CD C 13 43.257 0.009 . . . . . . A 514 ARG CD . 34630 1 127 . 1 . 1 10 10 ARG N N 15 128.017 0.013 . . . . . . A 514 ARG N . 34630 1 128 . 1 . 1 11 11 CYS H H 1 8.273 0.002 . . . . . . A 515 CYS H . 34630 1 129 . 1 . 1 11 11 CYS HA H 1 4.475 0.000 . . . . . . A 515 CYS HA . 34630 1 130 . 1 . 1 11 11 CYS HB2 H 1 3.265 0.000 . . . . . . A 515 CYS HB2 . 34630 1 131 . 1 . 1 11 11 CYS HB3 H 1 2.309 0.000 . . . . . . A 515 CYS HB3 . 34630 1 132 . 1 . 1 11 11 CYS C C 13 174.598 0.006 . . . . . . A 515 CYS C . 34630 1 133 . 1 . 1 11 11 CYS CA C 13 61.225 0.038 . . . . . . A 515 CYS CA . 34630 1 134 . 1 . 1 11 11 CYS CB C 13 30.748 0.056 . . . . . . A 515 CYS CB . 34630 1 135 . 1 . 1 11 11 CYS N N 15 123.347 0.017 . . . . . . A 515 CYS N . 34630 1 136 . 1 . 1 12 12 VAL H H 1 8.688 0.002 . . . . . . A 516 VAL H . 34630 1 137 . 1 . 1 12 12 VAL HA H 1 4.601 0.000 . . . . . . A 516 VAL HA . 34630 1 138 . 1 . 1 12 12 VAL HB H 1 2.007 0.000 . . . . . . A 516 VAL HB . 34630 1 139 . 1 . 1 12 12 VAL HG11 H 1 0.874 0.000 . . . . . . A 516 VAL HG11 . 34630 1 140 . 1 . 1 12 12 VAL HG12 H 1 0.874 0.000 . . . . . . A 516 VAL HG12 . 34630 1 141 . 1 . 1 12 12 VAL HG13 H 1 0.874 0.000 . . . . . . A 516 VAL HG13 . 34630 1 142 . 1 . 1 12 12 VAL HG21 H 1 0.801 0.000 . . . . . . A 516 VAL HG21 . 34630 1 143 . 1 . 1 12 12 VAL HG22 H 1 0.801 0.000 . . . . . . A 516 VAL HG22 . 34630 1 144 . 1 . 1 12 12 VAL HG23 H 1 0.801 0.000 . . . . . . A 516 VAL HG23 . 34630 1 145 . 1 . 1 12 12 VAL C C 13 173.665 0.007 . . . . . . A 516 VAL C . 34630 1 146 . 1 . 1 12 12 VAL CA C 13 59.488 0.030 . . . . . . A 516 VAL CA . 34630 1 147 . 1 . 1 12 12 VAL CB C 13 34.341 0.036 . . . . . . A 516 VAL CB . 34630 1 148 . 1 . 1 12 12 VAL CG1 C 13 21.072 0.038 . . . . . . A 516 VAL CG1 . 34630 1 149 . 1 . 1 12 12 VAL CG2 C 13 19.452 0.041 . . . . . . A 516 VAL CG2 . 34630 1 150 . 1 . 1 12 12 VAL N N 15 115.370 0.038 . . . . . . A 516 VAL N . 34630 1 151 . 1 . 1 13 13 LEU H H 1 8.225 0.002 . . . . . . A 517 LEU H . 34630 1 152 . 1 . 1 13 13 LEU HA H 1 4.493 0.000 . . . . . . A 517 LEU HA . 34630 1 153 . 1 . 1 13 13 LEU HB2 H 1 1.338 0.000 . . . . . . A 517 LEU HB2 . 34630 1 154 . 1 . 1 13 13 LEU HB3 H 1 1.560 0.000 . . . . . . A 517 LEU HB3 . 34630 1 155 . 1 . 1 13 13 LEU HG H 1 1.242 0.000 . . . . . . A 517 LEU HG . 34630 1 156 . 1 . 1 13 13 LEU HD11 H 1 0.433 0.002 . . . . . . A 517 LEU HD11 . 34630 1 157 . 1 . 1 13 13 LEU HD12 H 1 0.433 0.002 . . . . . . A 517 LEU HD12 . 34630 1 158 . 1 . 1 13 13 LEU HD13 H 1 0.433 0.002 . . . . . . A 517 LEU HD13 . 34630 1 159 . 1 . 1 13 13 LEU HD21 H 1 0.550 0.004 . . . . . . A 517 LEU HD21 . 34630 1 160 . 1 . 1 13 13 LEU HD22 H 1 0.550 0.004 . . . . . . A 517 LEU HD22 . 34630 1 161 . 1 . 1 13 13 LEU HD23 H 1 0.550 0.004 . . . . . . A 517 LEU HD23 . 34630 1 162 . 1 . 1 13 13 LEU C C 13 176.405 0.005 . . . . . . A 517 LEU C . 34630 1 163 . 1 . 1 13 13 LEU CA C 13 54.330 0.032 . . . . . . A 517 LEU CA . 34630 1 164 . 1 . 1 13 13 LEU CB C 13 43.645 0.010 . . . . . . A 517 LEU CB . 34630 1 165 . 1 . 1 13 13 LEU CG C 13 26.928 0.000 . . . . . . A 517 LEU CG . 34630 1 166 . 1 . 1 13 13 LEU CD1 C 13 24.211 0.058 . . . . . . A 517 LEU CD1 . 34630 1 167 . 1 . 1 13 13 LEU CD2 C 13 25.505 0.026 . . . . . . A 517 LEU CD2 . 34630 1 168 . 1 . 1 13 13 LEU N N 15 125.447 0.018 . . . . . . A 517 LEU N . 34630 1 169 . 1 . 1 14 14 ARG H H 1 9.048 0.002 . . . . . . A 518 ARG H . 34630 1 170 . 1 . 1 14 14 ARG HA H 1 4.418 0.000 . . . . . . A 518 ARG HA . 34630 1 171 . 1 . 1 14 14 ARG HB2 H 1 -0.031 0.001 . . . . . . A 518 ARG HB2 . 34630 1 172 . 1 . 1 14 14 ARG HB3 H 1 1.218 0.000 . . . . . . A 518 ARG HB3 . 34630 1 173 . 1 . 1 14 14 ARG HG2 H 1 1.257 0.000 . . . . . . A 518 ARG HG2 . 34630 1 174 . 1 . 1 14 14 ARG HG3 H 1 1.257 0.000 . . . . . . A 518 ARG HG3 . 34630 1 175 . 1 . 1 14 14 ARG HD2 H 1 3.120 0.000 . . . . . . A 518 ARG HD2 . 34630 1 176 . 1 . 1 14 14 ARG HD3 H 1 3.040 0.000 . . . . . . A 518 ARG HD3 . 34630 1 177 . 1 . 1 14 14 ARG C C 13 173.529 0.004 . . . . . . A 518 ARG C . 34630 1 178 . 1 . 1 14 14 ARG CA C 13 53.545 0.016 . . . . . . A 518 ARG CA . 34630 1 179 . 1 . 1 14 14 ARG CB C 13 34.037 0.041 . . . . . . A 518 ARG CB . 34630 1 180 . 1 . 1 14 14 ARG CG C 13 27.124 0.056 . . . . . . A 518 ARG CG . 34630 1 181 . 1 . 1 14 14 ARG CD C 13 43.325 0.022 . . . . . . A 518 ARG CD . 34630 1 182 . 1 . 1 14 14 ARG N N 15 127.788 0.009 . . . . . . A 518 ARG N . 34630 1 183 . 1 . 1 15 15 VAL H H 1 7.767 0.003 . . . . . . A 519 VAL H . 34630 1 184 . 1 . 1 15 15 VAL HA H 1 4.904 0.000 . . . . . . A 519 VAL HA . 34630 1 185 . 1 . 1 15 15 VAL HB H 1 1.771 0.000 . . . . . . A 519 VAL HB . 34630 1 186 . 1 . 1 15 15 VAL HG11 H 1 0.856 0.000 . . . . . . A 519 VAL HG11 . 34630 1 187 . 1 . 1 15 15 VAL HG12 H 1 0.856 0.000 . . . . . . A 519 VAL HG12 . 34630 1 188 . 1 . 1 15 15 VAL HG13 H 1 0.856 0.000 . . . . . . A 519 VAL HG13 . 34630 1 189 . 1 . 1 15 15 VAL HG21 H 1 0.852 0.000 . . . . . . A 519 VAL HG21 . 34630 1 190 . 1 . 1 15 15 VAL HG22 H 1 0.852 0.000 . . . . . . A 519 VAL HG22 . 34630 1 191 . 1 . 1 15 15 VAL HG23 H 1 0.852 0.000 . . . . . . A 519 VAL HG23 . 34630 1 192 . 1 . 1 15 15 VAL C C 13 176.567 0.002 . . . . . . A 519 VAL C . 34630 1 193 . 1 . 1 15 15 VAL CA C 13 59.958 0.030 . . . . . . A 519 VAL CA . 34630 1 194 . 1 . 1 15 15 VAL CB C 13 35.146 0.051 . . . . . . A 519 VAL CB . 34630 1 195 . 1 . 1 15 15 VAL CG1 C 13 21.476 0.089 . . . . . . A 519 VAL CG1 . 34630 1 196 . 1 . 1 15 15 VAL CG2 C 13 20.886 0.049 . . . . . . A 519 VAL CG2 . 34630 1 197 . 1 . 1 15 15 VAL N N 15 116.721 0.020 . . . . . . A 519 VAL N . 34630 1 198 . 1 . 1 16 16 VAL H H 1 8.948 0.002 . . . . . . A 520 VAL H . 34630 1 199 . 1 . 1 16 16 VAL HA H 1 4.149 0.003 . . . . . . A 520 VAL HA . 34630 1 200 . 1 . 1 16 16 VAL HB H 1 2.671 0.000 . . . . . . A 520 VAL HB . 34630 1 201 . 1 . 1 16 16 VAL HG11 H 1 1.091 0.000 . . . . . . A 520 VAL HG11 . 34630 1 202 . 1 . 1 16 16 VAL HG12 H 1 1.091 0.000 . . . . . . A 520 VAL HG12 . 34630 1 203 . 1 . 1 16 16 VAL HG13 H 1 1.091 0.000 . . . . . . A 520 VAL HG13 . 34630 1 204 . 1 . 1 16 16 VAL HG21 H 1 1.443 0.000 . . . . . . A 520 VAL HG21 . 34630 1 205 . 1 . 1 16 16 VAL HG22 H 1 1.443 0.000 . . . . . . A 520 VAL HG22 . 34630 1 206 . 1 . 1 16 16 VAL HG23 H 1 1.443 0.000 . . . . . . A 520 VAL HG23 . 34630 1 207 . 1 . 1 16 16 VAL C C 13 177.282 0.008 . . . . . . A 520 VAL C . 34630 1 208 . 1 . 1 16 16 VAL CA C 13 64.323 0.110 . . . . . . A 520 VAL CA . 34630 1 209 . 1 . 1 16 16 VAL CB C 13 31.968 0.007 . . . . . . A 520 VAL CB . 34630 1 210 . 1 . 1 16 16 VAL CG1 C 13 22.327 0.000 . . . . . . A 520 VAL CG1 . 34630 1 211 . 1 . 1 16 16 VAL CG2 C 13 22.737 0.000 . . . . . . A 520 VAL CG2 . 34630 1 212 . 1 . 1 16 16 VAL N N 15 126.729 0.020 . . . . . . A 520 VAL N . 34630 1 213 . 1 . 1 17 17 ARG H H 1 9.084 0.001 . . . . . . A 521 ARG H . 34630 1 214 . 1 . 1 17 17 ARG HA H 1 4.503 0.000 . . . . . . A 521 ARG HA . 34630 1 215 . 1 . 1 17 17 ARG HB2 H 1 1.818 0.000 . . . . . . A 521 ARG HB2 . 34630 1 216 . 1 . 1 17 17 ARG HB3 H 1 2.028 0.000 . . . . . . A 521 ARG HB3 . 34630 1 217 . 1 . 1 17 17 ARG HG2 H 1 1.702 0.000 . . . . . . A 521 ARG HG2 . 34630 1 218 . 1 . 1 17 17 ARG HG3 H 1 1.815 0.000 . . . . . . A 521 ARG HG3 . 34630 1 219 . 1 . 1 17 17 ARG HD2 H 1 3.225 0.000 . . . . . . A 521 ARG HD2 . 34630 1 220 . 1 . 1 17 17 ARG HD3 H 1 3.225 0.000 . . . . . . A 521 ARG HD3 . 34630 1 221 . 1 . 1 17 17 ARG C C 13 175.944 0.001 . . . . . . A 521 ARG C . 34630 1 222 . 1 . 1 17 17 ARG CA C 13 55.886 0.020 . . . . . . A 521 ARG CA . 34630 1 223 . 1 . 1 17 17 ARG CB C 13 31.297 0.049 . . . . . . A 521 ARG CB . 34630 1 224 . 1 . 1 17 17 ARG CG C 13 27.315 0.011 . . . . . . A 521 ARG CG . 34630 1 225 . 1 . 1 17 17 ARG CD C 13 43.186 0.000 . . . . . . A 521 ARG CD . 34630 1 226 . 1 . 1 17 17 ARG N N 15 130.573 0.052 . . . . . . A 521 ARG N . 34630 1 227 . 1 . 1 18 18 LYS H H 1 7.295 0.001 . . . . . . A 522 LYS H . 34630 1 228 . 1 . 1 18 18 LYS HA H 1 4.194 0.000 . . . . . . A 522 LYS HA . 34630 1 229 . 1 . 1 18 18 LYS HB2 H 1 1.744 0.000 . . . . . . A 522 LYS HB2 . 34630 1 230 . 1 . 1 18 18 LYS HB3 H 1 1.744 0.000 . . . . . . A 522 LYS HB3 . 34630 1 231 . 1 . 1 18 18 LYS HG2 H 1 1.537 0.000 . . . . . . A 522 LYS HG2 . 34630 1 232 . 1 . 1 18 18 LYS HG3 H 1 1.503 0.000 . . . . . . A 522 LYS HG3 . 34630 1 233 . 1 . 1 18 18 LYS HD2 H 1 1.718 0.000 . . . . . . A 522 LYS HD2 . 34630 1 234 . 1 . 1 18 18 LYS HD3 H 1 1.718 0.000 . . . . . . A 522 LYS HD3 . 34630 1 235 . 1 . 1 18 18 LYS HE2 H 1 3.044 0.000 . . . . . . A 522 LYS HE2 . 34630 1 236 . 1 . 1 18 18 LYS HE3 H 1 3.044 0.000 . . . . . . A 522 LYS HE3 . 34630 1 237 . 1 . 1 18 18 LYS C C 13 175.423 0.000 . . . . . . A 522 LYS C . 34630 1 238 . 1 . 1 18 18 LYS CA C 13 56.463 0.003 . . . . . . A 522 LYS CA . 34630 1 239 . 1 . 1 18 18 LYS CB C 13 33.564 0.046 . . . . . . A 522 LYS CB . 34630 1 240 . 1 . 1 18 18 LYS CG C 13 24.662 0.053 . . . . . . A 522 LYS CG . 34630 1 241 . 1 . 1 18 18 LYS CD C 13 29.324 0.003 . . . . . . A 522 LYS CD . 34630 1 242 . 1 . 1 18 18 LYS CE C 13 42.199 0.000 . . . . . . A 522 LYS CE . 34630 1 243 . 1 . 1 18 18 LYS N N 15 121.864 0.003 . . . . . . A 522 LYS N . 34630 1 244 . 1 . 1 19 19 ASP H H 1 8.269 0.002 . . . . . . A 523 ASP H . 34630 1 245 . 1 . 1 19 19 ASP HA H 1 4.411 0.000 . . . . . . A 523 ASP HA . 34630 1 246 . 1 . 1 19 19 ASP HB2 H 1 2.623 0.000 . . . . . . A 523 ASP HB2 . 34630 1 247 . 1 . 1 19 19 ASP HB3 H 1 2.539 0.000 . . . . . . A 523 ASP HB3 . 34630 1 248 . 1 . 1 19 19 ASP C C 13 175.639 0.003 . . . . . . A 523 ASP C . 34630 1 249 . 1 . 1 19 19 ASP CA C 13 55.809 0.017 . . . . . . A 523 ASP CA . 34630 1 250 . 1 . 1 19 19 ASP CB C 13 41.204 0.027 . . . . . . A 523 ASP CB . 34630 1 251 . 1 . 1 19 19 ASP N N 15 122.094 0.013 . . . . . . A 523 ASP N . 34630 1 252 . 1 . 1 20 20 GLY H H 1 8.246 0.001 . . . . . . A 524 GLY H . 34630 1 253 . 1 . 1 20 20 GLY HA2 H 1 3.740 0.000 . . . . . . A 524 GLY HA2 . 34630 1 254 . 1 . 1 20 20 GLY HA3 H 1 4.542 0.000 . . . . . . A 524 GLY HA3 . 34630 1 255 . 1 . 1 20 20 GLY C C 13 175.075 0.007 . . . . . . A 524 GLY C . 34630 1 256 . 1 . 1 20 20 GLY CA C 13 44.058 0.004 . . . . . . A 524 GLY CA . 34630 1 257 . 1 . 1 20 20 GLY N N 15 109.626 0.017 . . . . . . A 524 GLY N . 34630 1 258 . 1 . 1 21 21 GLU H H 1 8.768 0.002 . . . . . . A 525 GLU H . 34630 1 259 . 1 . 1 21 21 GLU HA H 1 4.031 0.000 . . . . . . A 525 GLU HA . 34630 1 260 . 1 . 1 21 21 GLU HB2 H 1 1.955 0.000 . . . . . . A 525 GLU HB2 . 34630 1 261 . 1 . 1 21 21 GLU HB3 H 1 1.955 0.000 . . . . . . A 525 GLU HB3 . 34630 1 262 . 1 . 1 21 21 GLU HG2 H 1 2.214 0.000 . . . . . . A 525 GLU HG2 . 34630 1 263 . 1 . 1 21 21 GLU HG3 H 1 2.214 0.000 . . . . . . A 525 GLU HG3 . 34630 1 264 . 1 . 1 21 21 GLU C C 13 177.098 0.003 . . . . . . A 525 GLU C . 34630 1 265 . 1 . 1 21 21 GLU CA C 13 58.584 0.032 . . . . . . A 525 GLU CA . 34630 1 266 . 1 . 1 21 21 GLU CB C 13 29.707 0.017 . . . . . . A 525 GLU CB . 34630 1 267 . 1 . 1 21 21 GLU CG C 13 35.734 0.024 . . . . . . A 525 GLU CG . 34630 1 268 . 1 . 1 21 21 GLU N N 15 119.735 0.030 . . . . . . A 525 GLU N . 34630 1 269 . 1 . 1 22 22 ASN H H 1 8.393 0.002 . . . . . . A 526 ASN H . 34630 1 270 . 1 . 1 22 22 ASN HA H 1 4.606 0.000 . . . . . . A 526 ASN HA . 34630 1 271 . 1 . 1 22 22 ASN HB2 H 1 2.953 0.000 . . . . . . A 526 ASN HB2 . 34630 1 272 . 1 . 1 22 22 ASN HB3 H 1 2.993 0.000 . . . . . . A 526 ASN HB3 . 34630 1 273 . 1 . 1 22 22 ASN HD21 H 1 7.833 0.000 . . . . . . A 526 ASN HD21 . 34630 1 274 . 1 . 1 22 22 ASN HD22 H 1 7.219 0.000 . . . . . . A 526 ASN HD22 . 34630 1 275 . 1 . 1 22 22 ASN C C 13 174.172 0.000 . . . . . . A 526 ASN C . 34630 1 276 . 1 . 1 22 22 ASN CA C 13 52.942 0.034 . . . . . . A 526 ASN CA . 34630 1 277 . 1 . 1 22 22 ASN CB C 13 39.817 0.036 . . . . . . A 526 ASN CB . 34630 1 278 . 1 . 1 22 22 ASN N N 15 114.322 0.020 . . . . . . A 526 ASN N . 34630 1 279 . 1 . 1 22 22 ASN ND2 N 15 116.359 0.000 . . . . . . A 526 ASN ND2 . 34630 1 280 . 1 . 1 23 23 LYS H H 1 7.301 0.003 . . . . . . A 527 LYS H . 34630 1 281 . 1 . 1 23 23 LYS HA H 1 3.679 0.000 . . . . . . A 527 LYS HA . 34630 1 282 . 1 . 1 23 23 LYS HB2 H 1 1.815 0.000 . . . . . . A 527 LYS HB2 . 34630 1 283 . 1 . 1 23 23 LYS HB3 H 1 2.168 0.005 . . . . . . A 527 LYS HB3 . 34630 1 284 . 1 . 1 23 23 LYS HG2 H 1 1.207 0.000 . . . . . . A 527 LYS HG2 . 34630 1 285 . 1 . 1 23 23 LYS HG3 H 1 1.305 0.000 . . . . . . A 527 LYS HG3 . 34630 1 286 . 1 . 1 23 23 LYS HD2 H 1 1.679 0.000 . . . . . . A 527 LYS HD2 . 34630 1 287 . 1 . 1 23 23 LYS HD3 H 1 1.679 0.000 . . . . . . A 527 LYS HD3 . 34630 1 288 . 1 . 1 23 23 LYS HE2 H 1 2.973 0.000 . . . . . . A 527 LYS HE2 . 34630 1 289 . 1 . 1 23 23 LYS HE3 H 1 2.973 0.000 . . . . . . A 527 LYS HE3 . 34630 1 290 . 1 . 1 23 23 LYS C C 13 178.100 0.001 . . . . . . A 527 LYS C . 34630 1 291 . 1 . 1 23 23 LYS CA C 13 59.636 0.031 . . . . . . A 527 LYS CA . 34630 1 292 . 1 . 1 23 23 LYS CB C 13 32.262 0.075 . . . . . . A 527 LYS CB . 34630 1 293 . 1 . 1 23 23 LYS CG C 13 25.032 0.023 . . . . . . A 527 LYS CG . 34630 1 294 . 1 . 1 23 23 LYS CD C 13 29.803 0.000 . . . . . . A 527 LYS CD . 34630 1 295 . 1 . 1 23 23 LYS CE C 13 42.400 0.000 . . . . . . A 527 LYS CE . 34630 1 296 . 1 . 1 23 23 LYS N N 15 121.556 0.036 . . . . . . A 527 LYS N . 34630 1 297 . 1 . 1 24 24 GLY H H 1 9.076 0.002 . . . . . . A 528 GLY H . 34630 1 298 . 1 . 1 24 24 GLY HA2 H 1 3.582 0.000 . . . . . . A 528 GLY HA2 . 34630 1 299 . 1 . 1 24 24 GLY HA3 H 1 4.362 0.000 . . . . . . A 528 GLY HA3 . 34630 1 300 . 1 . 1 24 24 GLY C C 13 173.832 0.004 . . . . . . A 528 GLY C . 34630 1 301 . 1 . 1 24 24 GLY CA C 13 45.275 0.008 . . . . . . A 528 GLY CA . 34630 1 302 . 1 . 1 24 24 GLY N N 15 115.516 0.013 . . . . . . A 528 GLY N . 34630 1 303 . 1 . 1 25 25 ARG H H 1 8.211 0.002 . . . . . . A 529 ARG H . 34630 1 304 . 1 . 1 25 25 ARG HA H 1 4.534 0.000 . . . . . . A 529 ARG HA . 34630 1 305 . 1 . 1 25 25 ARG HB2 H 1 1.865 0.000 . . . . . . A 529 ARG HB2 . 34630 1 306 . 1 . 1 25 25 ARG HB3 H 1 2.194 0.000 . . . . . . A 529 ARG HB3 . 34630 1 307 . 1 . 1 25 25 ARG HG2 H 1 1.704 0.000 . . . . . . A 529 ARG HG2 . 34630 1 308 . 1 . 1 25 25 ARG HG3 H 1 1.704 0.000 . . . . . . A 529 ARG HG3 . 34630 1 309 . 1 . 1 25 25 ARG HD2 H 1 2.921 0.000 . . . . . . A 529 ARG HD2 . 34630 1 310 . 1 . 1 25 25 ARG HD3 H 1 1.980 0.000 . . . . . . A 529 ARG HD3 . 34630 1 311 . 1 . 1 25 25 ARG C C 13 175.934 0.005 . . . . . . A 529 ARG C . 34630 1 312 . 1 . 1 25 25 ARG CA C 13 57.387 0.028 . . . . . . A 529 ARG CA . 34630 1 313 . 1 . 1 25 25 ARG CB C 13 32.652 0.124 . . . . . . A 529 ARG CB . 34630 1 314 . 1 . 1 25 25 ARG CG C 13 27.107 0.000 . . . . . . A 529 ARG CG . 34630 1 315 . 1 . 1 25 25 ARG CD C 13 43.634 0.010 . . . . . . A 529 ARG CD . 34630 1 316 . 1 . 1 25 25 ARG N N 15 120.821 0.018 . . . . . . A 529 ARG N . 34630 1 317 . 1 . 1 26 26 GLN H H 1 7.945 0.003 . . . . . . A 530 GLN H . 34630 1 318 . 1 . 1 26 26 GLN HA H 1 5.565 0.002 . . . . . . A 530 GLN HA . 34630 1 319 . 1 . 1 26 26 GLN HB2 H 1 1.923 0.000 . . . . . . A 530 GLN HB2 . 34630 1 320 . 1 . 1 26 26 GLN HB3 H 1 1.923 0.000 . . . . . . A 530 GLN HB3 . 34630 1 321 . 1 . 1 26 26 GLN HG2 H 1 2.255 0.000 . . . . . . A 530 GLN HG2 . 34630 1 322 . 1 . 1 26 26 GLN HG3 H 1 2.609 0.000 . . . . . . A 530 GLN HG3 . 34630 1 323 . 1 . 1 26 26 GLN HE21 H 1 7.451 0.000 . . . . . . A 530 GLN HE21 . 34630 1 324 . 1 . 1 26 26 GLN HE22 H 1 6.875 0.000 . . . . . . A 530 GLN HE22 . 34630 1 325 . 1 . 1 26 26 GLN C C 13 175.703 0.004 . . . . . . A 530 GLN C . 34630 1 326 . 1 . 1 26 26 GLN CA C 13 54.488 0.024 . . . . . . A 530 GLN CA . 34630 1 327 . 1 . 1 26 26 GLN CB C 13 31.763 0.062 . . . . . . A 530 GLN CB . 34630 1 328 . 1 . 1 26 26 GLN CG C 13 34.730 0.022 . . . . . . A 530 GLN CG . 34630 1 329 . 1 . 1 26 26 GLN N N 15 118.831 0.025 . . . . . . A 530 GLN N . 34630 1 330 . 1 . 1 26 26 GLN NE2 N 15 110.920 0.000 . . . . . . A 530 GLN NE2 . 34630 1 331 . 1 . 1 27 27 PHE H H 1 9.020 0.002 . . . . . . A 531 PHE H . 34630 1 332 . 1 . 1 27 27 PHE HA H 1 4.905 0.006 . . . . . . A 531 PHE HA . 34630 1 333 . 1 . 1 27 27 PHE HB2 H 1 1.747 0.002 . . . . . . A 531 PHE HB2 . 34630 1 334 . 1 . 1 27 27 PHE HB3 H 1 2.564 0.005 . . . . . . A 531 PHE HB3 . 34630 1 335 . 1 . 1 27 27 PHE HD1 H 1 6.732 0.006 . . . . . . A 531 PHE HD1 . 34630 1 336 . 1 . 1 27 27 PHE HD2 H 1 6.732 0.006 . . . . . . A 531 PHE HD2 . 34630 1 337 . 1 . 1 27 27 PHE HE1 H 1 7.070 0.011 . . . . . . A 531 PHE HE1 . 34630 1 338 . 1 . 1 27 27 PHE HE2 H 1 7.070 0.011 . . . . . . A 531 PHE HE2 . 34630 1 339 . 1 . 1 27 27 PHE C C 13 171.180 0.008 . . . . . . A 531 PHE C . 34630 1 340 . 1 . 1 27 27 PHE CA C 13 55.332 0.063 . . . . . . A 531 PHE CA . 34630 1 341 . 1 . 1 27 27 PHE CB C 13 42.741 0.050 . . . . . . A 531 PHE CB . 34630 1 342 . 1 . 1 27 27 PHE CD1 C 13 133.585 0.067 . . . . . . A 531 PHE CD1 . 34630 1 343 . 1 . 1 27 27 PHE CE1 C 13 130.603 0.046 . . . . . . A 531 PHE CE1 . 34630 1 344 . 1 . 1 27 27 PHE N N 15 119.272 0.006 . . . . . . A 531 PHE N . 34630 1 345 . 1 . 1 28 28 TYR H H 1 9.109 0.003 . . . . . . A 532 TYR H . 34630 1 346 . 1 . 1 28 28 TYR HA H 1 5.322 0.004 . . . . . . A 532 TYR HA . 34630 1 347 . 1 . 1 28 28 TYR HB2 H 1 2.691 0.000 . . . . . . A 532 TYR HB2 . 34630 1 348 . 1 . 1 28 28 TYR HB3 H 1 2.834 0.000 . . . . . . A 532 TYR HB3 . 34630 1 349 . 1 . 1 28 28 TYR HD1 H 1 6.821 0.000 . . . . . . A 532 TYR HD1 . 34630 1 350 . 1 . 1 28 28 TYR HD2 H 1 6.821 0.000 . . . . . . A 532 TYR HD2 . 34630 1 351 . 1 . 1 28 28 TYR HE1 H 1 6.916 0.006 . . . . . . A 532 TYR HE1 . 34630 1 352 . 1 . 1 28 28 TYR HE2 H 1 6.916 0.006 . . . . . . A 532 TYR HE2 . 34630 1 353 . 1 . 1 28 28 TYR C C 13 174.666 0.001 . . . . . . A 532 TYR C . 34630 1 354 . 1 . 1 28 28 TYR CA C 13 57.226 0.031 . . . . . . A 532 TYR CA . 34630 1 355 . 1 . 1 28 28 TYR CB C 13 41.236 0.044 . . . . . . A 532 TYR CB . 34630 1 356 . 1 . 1 28 28 TYR CD1 C 13 132.813 0.000 . . . . . . A 532 TYR CD1 . 34630 1 357 . 1 . 1 28 28 TYR CE1 C 13 118.991 0.002 . . . . . . A 532 TYR CE1 . 34630 1 358 . 1 . 1 28 28 TYR N N 15 118.154 0.016 . . . . . . A 532 TYR N . 34630 1 359 . 1 . 1 29 29 ALA H H 1 8.522 0.002 . . . . . . A 533 ALA H . 34630 1 360 . 1 . 1 29 29 ALA HA H 1 5.151 0.000 . . . . . . A 533 ALA HA . 34630 1 361 . 1 . 1 29 29 ALA HB1 H 1 1.554 0.000 . . . . . . A 533 ALA HB1 . 34630 1 362 . 1 . 1 29 29 ALA HB2 H 1 1.554 0.000 . . . . . . A 533 ALA HB2 . 34630 1 363 . 1 . 1 29 29 ALA HB3 H 1 1.554 0.000 . . . . . . A 533 ALA HB3 . 34630 1 364 . 1 . 1 29 29 ALA C C 13 175.411 0.008 . . . . . . A 533 ALA C . 34630 1 365 . 1 . 1 29 29 ALA CA C 13 50.065 0.003 . . . . . . A 533 ALA CA . 34630 1 366 . 1 . 1 29 29 ALA CB C 13 23.905 0.030 . . . . . . A 533 ALA CB . 34630 1 367 . 1 . 1 29 29 ALA N N 15 121.338 0.025 . . . . . . A 533 ALA N . 34630 1 368 . 1 . 1 30 30 CYS H H 1 8.961 0.001 . . . . . . A 534 CYS H . 34630 1 369 . 1 . 1 30 30 CYS HA H 1 4.470 0.000 . . . . . . A 534 CYS HA . 34630 1 370 . 1 . 1 30 30 CYS HB2 H 1 3.655 0.000 . . . . . . A 534 CYS HB2 . 34630 1 371 . 1 . 1 30 30 CYS HB3 H 1 2.933 0.000 . . . . . . A 534 CYS HB3 . 34630 1 372 . 1 . 1 30 30 CYS C C 13 176.648 0.002 . . . . . . A 534 CYS C . 34630 1 373 . 1 . 1 30 30 CYS CA C 13 61.296 0.045 . . . . . . A 534 CYS CA . 34630 1 374 . 1 . 1 30 30 CYS CB C 13 31.373 0.038 . . . . . . A 534 CYS CB . 34630 1 375 . 1 . 1 30 30 CYS N N 15 121.991 0.015 . . . . . . A 534 CYS N . 34630 1 376 . 1 . 1 31 31 SER H H 1 9.296 0.002 . . . . . . A 535 SER H . 34630 1 377 . 1 . 1 31 31 SER HA H 1 4.302 0.000 . . . . . . A 535 SER HA . 34630 1 378 . 1 . 1 31 31 SER HB2 H 1 4.125 0.000 . . . . . . A 535 SER HB2 . 34630 1 379 . 1 . 1 31 31 SER HB3 H 1 4.125 0.000 . . . . . . A 535 SER HB3 . 34630 1 380 . 1 . 1 31 31 SER C C 13 175.006 0.018 . . . . . . A 535 SER C . 34630 1 381 . 1 . 1 31 31 SER CA C 13 59.033 0.052 . . . . . . A 535 SER CA . 34630 1 382 . 1 . 1 31 31 SER CB C 13 65.861 0.012 . . . . . . A 535 SER CB . 34630 1 383 . 1 . 1 31 31 SER N N 15 122.235 0.036 . . . . . . A 535 SER N . 34630 1 384 . 1 . 1 32 32 LEU H H 1 8.286 0.001 . . . . . . A 536 LEU H . 34630 1 385 . 1 . 1 32 32 LEU HA H 1 4.225 0.000 . . . . . . A 536 LEU HA . 34630 1 386 . 1 . 1 32 32 LEU HB2 H 1 1.601 0.000 . . . . . . A 536 LEU HB2 . 34630 1 387 . 1 . 1 32 32 LEU HB3 H 1 1.308 0.000 . . . . . . A 536 LEU HB3 . 34630 1 388 . 1 . 1 32 32 LEU HG H 1 1.135 0.000 . . . . . . A 536 LEU HG . 34630 1 389 . 1 . 1 32 32 LEU HD11 H 1 0.304 0.000 . . . . . . A 536 LEU HD11 . 34630 1 390 . 1 . 1 32 32 LEU HD12 H 1 0.304 0.000 . . . . . . A 536 LEU HD12 . 34630 1 391 . 1 . 1 32 32 LEU HD13 H 1 0.304 0.000 . . . . . . A 536 LEU HD13 . 34630 1 392 . 1 . 1 32 32 LEU HD21 H 1 0.374 0.000 . . . . . . A 536 LEU HD21 . 34630 1 393 . 1 . 1 32 32 LEU HD22 H 1 0.374 0.000 . . . . . . A 536 LEU HD22 . 34630 1 394 . 1 . 1 32 32 LEU HD23 H 1 0.374 0.000 . . . . . . A 536 LEU HD23 . 34630 1 395 . 1 . 1 32 32 LEU C C 13 173.336 0.000 . . . . . . A 536 LEU C . 34630 1 396 . 1 . 1 32 32 LEU CA C 13 55.353 0.049 . . . . . . A 536 LEU CA . 34630 1 397 . 1 . 1 32 32 LEU CB C 13 38.926 0.010 . . . . . . A 536 LEU CB . 34630 1 398 . 1 . 1 32 32 LEU CG C 13 29.546 0.000 . . . . . . A 536 LEU CG . 34630 1 399 . 1 . 1 32 32 LEU CD1 C 13 23.318 0.000 . . . . . . A 536 LEU CD1 . 34630 1 400 . 1 . 1 32 32 LEU CD2 C 13 22.989 0.000 . . . . . . A 536 LEU CD2 . 34630 1 401 . 1 . 1 32 32 LEU N N 15 128.839 0.022 . . . . . . A 536 LEU N . 34630 1 402 . 1 . 1 33 33 PRO HA H 1 4.420 0.002 . . . . . . A 537 PRO HA . 34630 1 403 . 1 . 1 33 33 PRO HB2 H 1 2.336 0.000 . . . . . . A 537 PRO HB2 . 34630 1 404 . 1 . 1 33 33 PRO HB3 H 1 1.819 0.000 . . . . . . A 537 PRO HB3 . 34630 1 405 . 1 . 1 33 33 PRO HG2 H 1 1.947 0.000 . . . . . . A 537 PRO HG2 . 34630 1 406 . 1 . 1 33 33 PRO HG3 H 1 1.947 0.000 . . . . . . A 537 PRO HG3 . 34630 1 407 . 1 . 1 33 33 PRO HD2 H 1 3.360 0.000 . . . . . . A 537 PRO HD2 . 34630 1 408 . 1 . 1 33 33 PRO HD3 H 1 3.673 0.000 . . . . . . A 537 PRO HD3 . 34630 1 409 . 1 . 1 33 33 PRO C C 13 176.424 0.001 . . . . . . A 537 PRO C . 34630 1 410 . 1 . 1 33 33 PRO CA C 13 62.488 0.021 . . . . . . A 537 PRO CA . 34630 1 411 . 1 . 1 33 33 PRO CB C 13 32.471 0.067 . . . . . . A 537 PRO CB . 34630 1 412 . 1 . 1 33 33 PRO CG C 13 27.792 0.000 . . . . . . A 537 PRO CG . 34630 1 413 . 1 . 1 33 33 PRO CD C 13 50.447 0.020 . . . . . . A 537 PRO CD . 34630 1 414 . 1 . 1 34 34 ARG H H 1 8.422 0.001 . . . . . . A 538 ARG H . 34630 1 415 . 1 . 1 34 34 ARG HA H 1 3.942 0.000 . . . . . . A 538 ARG HA . 34630 1 416 . 1 . 1 34 34 ARG HB2 H 1 1.781 0.000 . . . . . . A 538 ARG HB2 . 34630 1 417 . 1 . 1 34 34 ARG HB3 H 1 1.848 0.000 . . . . . . A 538 ARG HB3 . 34630 1 418 . 1 . 1 34 34 ARG HG2 H 1 1.649 0.000 . . . . . . A 538 ARG HG2 . 34630 1 419 . 1 . 1 34 34 ARG HG3 H 1 1.728 0.000 . . . . . . A 538 ARG HG3 . 34630 1 420 . 1 . 1 34 34 ARG HD2 H 1 3.244 0.000 . . . . . . A 538 ARG HD2 . 34630 1 421 . 1 . 1 34 34 ARG HD3 H 1 3.244 0.000 . . . . . . A 538 ARG HD3 . 34630 1 422 . 1 . 1 34 34 ARG C C 13 177.391 0.009 . . . . . . A 538 ARG C . 34630 1 423 . 1 . 1 34 34 ARG CA C 13 58.672 0.030 . . . . . . A 538 ARG CA . 34630 1 424 . 1 . 1 34 34 ARG CB C 13 29.748 0.054 . . . . . . A 538 ARG CB . 34630 1 425 . 1 . 1 34 34 ARG CG C 13 27.106 0.033 . . . . . . A 538 ARG CG . 34630 1 426 . 1 . 1 34 34 ARG CD C 13 43.375 0.000 . . . . . . A 538 ARG CD . 34630 1 427 . 1 . 1 34 34 ARG N N 15 120.536 0.051 . . . . . . A 538 ARG N . 34630 1 428 . 1 . 1 35 35 GLY H H 1 9.095 0.007 . . . . . . A 539 GLY H . 34630 1 429 . 1 . 1 35 35 GLY HA2 H 1 4.320 0.000 . . . . . . A 539 GLY HA2 . 34630 1 430 . 1 . 1 35 35 GLY HA3 H 1 3.705 0.000 . . . . . . A 539 GLY HA3 . 34630 1 431 . 1 . 1 35 35 GLY C C 13 174.055 0.003 . . . . . . A 539 GLY C . 34630 1 432 . 1 . 1 35 35 GLY CA C 13 45.545 0.027 . . . . . . A 539 GLY CA . 34630 1 433 . 1 . 1 35 35 GLY N N 15 114.079 0.041 . . . . . . A 539 GLY N . 34630 1 434 . 1 . 1 36 36 ALA H H 1 8.142 0.002 . . . . . . A 540 ALA H . 34630 1 435 . 1 . 1 36 36 ALA HA H 1 4.598 0.007 . . . . . . A 540 ALA HA . 34630 1 436 . 1 . 1 36 36 ALA HB1 H 1 1.305 0.005 . . . . . . A 540 ALA HB1 . 34630 1 437 . 1 . 1 36 36 ALA HB2 H 1 1.305 0.005 . . . . . . A 540 ALA HB2 . 34630 1 438 . 1 . 1 36 36 ALA HB3 H 1 1.305 0.005 . . . . . . A 540 ALA HB3 . 34630 1 439 . 1 . 1 36 36 ALA C C 13 176.565 0.002 . . . . . . A 540 ALA C . 34630 1 440 . 1 . 1 36 36 ALA CA C 13 51.430 0.049 . . . . . . A 540 ALA CA . 34630 1 441 . 1 . 1 36 36 ALA CB C 13 21.029 0.037 . . . . . . A 540 ALA CB . 34630 1 442 . 1 . 1 36 36 ALA N N 15 122.555 0.016 . . . . . . A 540 ALA N . 34630 1 443 . 1 . 1 37 37 GLN H H 1 7.537 0.003 . . . . . . A 541 GLN H . 34630 1 444 . 1 . 1 37 37 GLN HA H 1 4.749 0.000 . . . . . . A 541 GLN HA . 34630 1 445 . 1 . 1 37 37 GLN HB2 H 1 2.083 0.000 . . . . . . A 541 GLN HB2 . 34630 1 446 . 1 . 1 37 37 GLN HB3 H 1 2.163 0.000 . . . . . . A 541 GLN HB3 . 34630 1 447 . 1 . 1 37 37 GLN HG2 H 1 2.444 0.000 . . . . . . A 541 GLN HG2 . 34630 1 448 . 1 . 1 37 37 GLN HG3 H 1 2.501 0.000 . . . . . . A 541 GLN HG3 . 34630 1 449 . 1 . 1 37 37 GLN HE21 H 1 7.640 0.000 . . . . . . A 541 GLN HE21 . 34630 1 450 . 1 . 1 37 37 GLN HE22 H 1 6.837 0.000 . . . . . . A 541 GLN HE22 . 34630 1 451 . 1 . 1 37 37 GLN C C 13 177.727 0.013 . . . . . . A 541 GLN C . 34630 1 452 . 1 . 1 37 37 GLN CA C 13 56.498 0.024 . . . . . . A 541 GLN CA . 34630 1 453 . 1 . 1 37 37 GLN CB C 13 29.486 0.067 . . . . . . A 541 GLN CB . 34630 1 454 . 1 . 1 37 37 GLN CG C 13 33.907 0.047 . . . . . . A 541 GLN CG . 34630 1 455 . 1 . 1 37 37 GLN N N 15 117.975 0.038 . . . . . . A 541 GLN N . 34630 1 456 . 1 . 1 37 37 GLN NE2 N 15 111.310 0.001 . . . . . . A 541 GLN NE2 . 34630 1 457 . 1 . 1 38 38 CYS H H 1 8.990 0.003 . . . . . . A 542 CYS H . 34630 1 458 . 1 . 1 38 38 CYS HA H 1 5.197 0.004 . . . . . . A 542 CYS HA . 34630 1 459 . 1 . 1 38 38 CYS HB2 H 1 3.254 0.006 . . . . . . A 542 CYS HB2 . 34630 1 460 . 1 . 1 38 38 CYS HB3 H 1 3.426 0.000 . . . . . . A 542 CYS HB3 . 34630 1 461 . 1 . 1 38 38 CYS C C 13 175.987 0.001 . . . . . . A 542 CYS C . 34630 1 462 . 1 . 1 38 38 CYS CA C 13 57.361 0.022 . . . . . . A 542 CYS CA . 34630 1 463 . 1 . 1 38 38 CYS CB C 13 30.542 0.054 . . . . . . A 542 CYS CB . 34630 1 464 . 1 . 1 38 38 CYS N N 15 122.511 0.034 . . . . . . A 542 CYS N . 34630 1 465 . 1 . 1 39 39 GLY H H 1 8.697 0.004 . . . . . . A 543 GLY H . 34630 1 466 . 1 . 1 39 39 GLY C C 13 174.251 0.000 . . . . . . A 543 GLY C . 34630 1 467 . 1 . 1 39 39 GLY CA C 13 45.480 0.004 . . . . . . A 543 GLY CA . 34630 1 468 . 1 . 1 39 39 GLY N N 15 107.021 0.019 . . . . . . A 543 GLY N . 34630 1 469 . 1 . 1 40 40 PHE H H 1 7.770 0.002 . . . . . . A 544 PHE H . 34630 1 470 . 1 . 1 40 40 PHE HA H 1 4.162 0.000 . . . . . . A 544 PHE HA . 34630 1 471 . 1 . 1 40 40 PHE HB2 H 1 3.665 0.007 . . . . . . A 544 PHE HB2 . 34630 1 472 . 1 . 1 40 40 PHE HB3 H 1 2.710 0.006 . . . . . . A 544 PHE HB3 . 34630 1 473 . 1 . 1 40 40 PHE HD1 H 1 7.120 0.010 . . . . . . A 544 PHE HD1 . 34630 1 474 . 1 . 1 40 40 PHE HD2 H 1 7.120 0.010 . . . . . . A 544 PHE HD2 . 34630 1 475 . 1 . 1 40 40 PHE C C 13 174.256 0.005 . . . . . . A 544 PHE C . 34630 1 476 . 1 . 1 40 40 PHE CA C 13 60.931 0.032 . . . . . . A 544 PHE CA . 34630 1 477 . 1 . 1 40 40 PHE CB C 13 40.981 0.042 . . . . . . A 544 PHE CB . 34630 1 478 . 1 . 1 40 40 PHE CD1 C 13 131.811 0.061 . . . . . . A 544 PHE CD1 . 34630 1 479 . 1 . 1 40 40 PHE N N 15 121.781 0.019 . . . . . . A 544 PHE N . 34630 1 480 . 1 . 1 41 41 PHE H H 1 7.516 0.002 . . . . . . A 545 PHE H . 34630 1 481 . 1 . 1 41 41 PHE HA H 1 4.871 0.000 . . . . . . A 545 PHE HA . 34630 1 482 . 1 . 1 41 41 PHE HB2 H 1 2.605 0.000 . . . . . . A 545 PHE HB2 . 34630 1 483 . 1 . 1 41 41 PHE HB3 H 1 2.803 0.006 . . . . . . A 545 PHE HB3 . 34630 1 484 . 1 . 1 41 41 PHE HD1 H 1 6.537 0.002 . . . . . . A 545 PHE HD1 . 34630 1 485 . 1 . 1 41 41 PHE HD2 H 1 6.537 0.002 . . . . . . A 545 PHE HD2 . 34630 1 486 . 1 . 1 41 41 PHE HE1 H 1 5.244 0.003 . . . . . . A 545 PHE HE1 . 34630 1 487 . 1 . 1 41 41 PHE HE2 H 1 5.244 0.003 . . . . . . A 545 PHE HE2 . 34630 1 488 . 1 . 1 41 41 PHE HZ H 1 4.568 0.000 . . . . . . A 545 PHE HZ . 34630 1 489 . 1 . 1 41 41 PHE C C 13 173.965 0.003 . . . . . . A 545 PHE C . 34630 1 490 . 1 . 1 41 41 PHE CA C 13 58.078 0.063 . . . . . . A 545 PHE CA . 34630 1 491 . 1 . 1 41 41 PHE CB C 13 41.868 0.036 . . . . . . A 545 PHE CB . 34630 1 492 . 1 . 1 41 41 PHE CD1 C 13 130.752 0.048 . . . . . . A 545 PHE CD1 . 34630 1 493 . 1 . 1 41 41 PHE CE1 C 13 130.530 0.089 . . . . . . A 545 PHE CE1 . 34630 1 494 . 1 . 1 41 41 PHE N N 15 128.324 0.022 . . . . . . A 545 PHE N . 34630 1 495 . 1 . 1 42 42 GLU H H 1 7.364 0.003 . . . . . . A 546 GLU H . 34630 1 496 . 1 . 1 42 42 GLU HA H 1 4.282 0.000 . . . . . . A 546 GLU HA . 34630 1 497 . 1 . 1 42 42 GLU HB2 H 1 1.918 0.000 . . . . . . A 546 GLU HB2 . 34630 1 498 . 1 . 1 42 42 GLU HB3 H 1 1.858 0.000 . . . . . . A 546 GLU HB3 . 34630 1 499 . 1 . 1 42 42 GLU HG2 H 1 2.215 0.000 . . . . . . A 546 GLU HG2 . 34630 1 500 . 1 . 1 42 42 GLU HG3 H 1 2.215 0.000 . . . . . . A 546 GLU HG3 . 34630 1 501 . 1 . 1 42 42 GLU C C 13 175.270 0.011 . . . . . . A 546 GLU C . 34630 1 502 . 1 . 1 42 42 GLU CA C 13 55.404 0.060 . . . . . . A 546 GLU CA . 34630 1 503 . 1 . 1 42 42 GLU CB C 13 35.065 0.107 . . . . . . A 546 GLU CB . 34630 1 504 . 1 . 1 42 42 GLU CG C 13 36.739 0.003 . . . . . . A 546 GLU CG . 34630 1 505 . 1 . 1 42 42 GLU N N 15 126.442 0.022 . . . . . . A 546 GLU N . 34630 1 506 . 1 . 1 43 43 TRP H H 1 8.782 0.003 . . . . . . A 547 TRP H . 34630 1 507 . 1 . 1 43 43 TRP HA H 1 4.636 0.000 . . . . . . A 547 TRP HA . 34630 1 508 . 1 . 1 43 43 TRP HB2 H 1 3.014 0.004 . . . . . . A 547 TRP HB2 . 34630 1 509 . 1 . 1 43 43 TRP HB3 H 1 3.577 0.005 . . . . . . A 547 TRP HB3 . 34630 1 510 . 1 . 1 43 43 TRP HD1 H 1 7.422 0.004 . . . . . . A 547 TRP HD1 . 34630 1 511 . 1 . 1 43 43 TRP HE1 H 1 10.119 0.004 . . . . . . A 547 TRP HE1 . 34630 1 512 . 1 . 1 43 43 TRP HE3 H 1 7.968 0.000 . . . . . . A 547 TRP HE3 . 34630 1 513 . 1 . 1 43 43 TRP HZ2 H 1 7.358 0.008 . . . . . . A 547 TRP HZ2 . 34630 1 514 . 1 . 1 43 43 TRP HZ3 H 1 6.903 0.000 . . . . . . A 547 TRP HZ3 . 34630 1 515 . 1 . 1 43 43 TRP HH2 H 1 6.994 0.002 . . . . . . A 547 TRP HH2 . 34630 1 516 . 1 . 1 43 43 TRP C C 13 177.033 0.001 . . . . . . A 547 TRP C . 34630 1 517 . 1 . 1 43 43 TRP CA C 13 58.347 0.039 . . . . . . A 547 TRP CA . 34630 1 518 . 1 . 1 43 43 TRP CB C 13 30.312 0.031 . . . . . . A 547 TRP CB . 34630 1 519 . 1 . 1 43 43 TRP CD1 C 13 127.856 0.011 . . . . . . A 547 TRP CD1 . 34630 1 520 . 1 . 1 43 43 TRP CE3 C 13 121.800 0.000 . . . . . . A 547 TRP CE3 . 34630 1 521 . 1 . 1 43 43 TRP CZ2 C 13 115.060 0.010 . . . . . . A 547 TRP CZ2 . 34630 1 522 . 1 . 1 43 43 TRP CZ3 C 13 121.324 0.000 . . . . . . A 547 TRP CZ3 . 34630 1 523 . 1 . 1 43 43 TRP CH2 C 13 123.693 0.023 . . . . . . A 547 TRP CH2 . 34630 1 524 . 1 . 1 43 43 TRP N N 15 126.924 0.029 . . . . . . A 547 TRP N . 34630 1 525 . 1 . 1 43 43 TRP NE1 N 15 128.030 0.001 . . . . . . A 547 TRP NE1 . 34630 1 526 . 1 . 1 44 44 ALA H H 1 8.979 0.002 . . . . . . A 548 ALA H . 34630 1 527 . 1 . 1 44 44 ALA HA H 1 4.406 0.000 . . . . . . A 548 ALA HA . 34630 1 528 . 1 . 1 44 44 ALA HB1 H 1 0.737 0.000 . . . . . . A 548 ALA HB1 . 34630 1 529 . 1 . 1 44 44 ALA HB2 H 1 0.737 0.000 . . . . . . A 548 ALA HB2 . 34630 1 530 . 1 . 1 44 44 ALA HB3 H 1 0.737 0.000 . . . . . . A 548 ALA HB3 . 34630 1 531 . 1 . 1 44 44 ALA C C 13 177.300 0.000 . . . . . . A 548 ALA C . 34630 1 532 . 1 . 1 44 44 ALA CA C 13 52.686 0.039 . . . . . . A 548 ALA CA . 34630 1 533 . 1 . 1 44 44 ALA CB C 13 19.745 0.022 . . . . . . A 548 ALA CB . 34630 1 534 . 1 . 1 44 44 ALA N N 15 125.058 0.017 . . . . . . A 548 ALA N . 34630 1 535 . 1 . 1 45 45 ASP H H 1 8.308 0.001 . . . . . . A 549 ASP H . 34630 1 536 . 1 . 1 45 45 ASP HA H 1 2.926 0.000 . . . . . . A 549 ASP HA . 34630 1 537 . 1 . 1 45 45 ASP HB2 H 1 2.511 0.000 . . . . . . A 549 ASP HB2 . 34630 1 538 . 1 . 1 45 45 ASP HB3 H 1 2.084 0.000 . . . . . . A 549 ASP HB3 . 34630 1 539 . 1 . 1 45 45 ASP C C 13 177.241 0.014 . . . . . . A 549 ASP C . 34630 1 540 . 1 . 1 45 45 ASP CA C 13 53.291 0.051 . . . . . . A 549 ASP CA . 34630 1 541 . 1 . 1 45 45 ASP CB C 13 41.453 0.043 . . . . . . A 549 ASP CB . 34630 1 542 . 1 . 1 45 45 ASP N N 15 116.810 0.019 . . . . . . A 549 ASP N . 34630 1 543 . 1 . 1 46 46 LEU H H 1 7.308 0.001 . . . . . . A 550 LEU H . 34630 1 544 . 1 . 1 46 46 LEU HA H 1 3.923 0.000 . . . . . . A 550 LEU HA . 34630 1 545 . 1 . 1 46 46 LEU HB2 H 1 1.802 0.000 . . . . . . A 550 LEU HB2 . 34630 1 546 . 1 . 1 46 46 LEU HB3 H 1 1.575 0.000 . . . . . . A 550 LEU HB3 . 34630 1 547 . 1 . 1 46 46 LEU HG H 1 1.668 0.000 . . . . . . A 550 LEU HG . 34630 1 548 . 1 . 1 46 46 LEU HD11 H 1 1.092 0.000 . . . . . . A 550 LEU HD11 . 34630 1 549 . 1 . 1 46 46 LEU HD12 H 1 1.092 0.000 . . . . . . A 550 LEU HD12 . 34630 1 550 . 1 . 1 46 46 LEU HD13 H 1 1.092 0.000 . . . . . . A 550 LEU HD13 . 34630 1 551 . 1 . 1 46 46 LEU HD21 H 1 0.806 0.004 . . . . . . A 550 LEU HD21 . 34630 1 552 . 1 . 1 46 46 LEU HD22 H 1 0.806 0.004 . . . . . . A 550 LEU HD22 . 34630 1 553 . 1 . 1 46 46 LEU HD23 H 1 0.806 0.004 . . . . . . A 550 LEU HD23 . 34630 1 554 . 1 . 1 46 46 LEU C C 13 178.030 0.001 . . . . . . A 550 LEU C . 34630 1 555 . 1 . 1 46 46 LEU CA C 13 56.807 0.083 . . . . . . A 550 LEU CA . 34630 1 556 . 1 . 1 46 46 LEU CB C 13 40.767 0.034 . . . . . . A 550 LEU CB . 34630 1 557 . 1 . 1 46 46 LEU CG C 13 27.070 0.000 . . . . . . A 550 LEU CG . 34630 1 558 . 1 . 1 46 46 LEU CD1 C 13 25.474 0.000 . . . . . . A 550 LEU CD1 . 34630 1 559 . 1 . 1 46 46 LEU CD2 C 13 22.306 0.022 . . . . . . A 550 LEU CD2 . 34630 1 560 . 1 . 1 46 46 LEU N N 15 117.490 0.043 . . . . . . A 550 LEU N . 34630 1 561 . 1 . 1 47 47 SER H H 1 8.141 0.003 . . . . . . A 551 SER H . 34630 1 562 . 1 . 1 47 47 SER HA H 1 4.615 0.001 . . . . . . A 551 SER HA . 34630 1 563 . 1 . 1 47 47 SER HB2 H 1 4.015 0.000 . . . . . . A 551 SER HB2 . 34630 1 564 . 1 . 1 47 47 SER HB3 H 1 3.906 0.000 . . . . . . A 551 SER HB3 . 34630 1 565 . 1 . 1 47 47 SER C C 13 174.769 0.008 . . . . . . A 551 SER C . 34630 1 566 . 1 . 1 47 47 SER CA C 13 57.614 0.011 . . . . . . A 551 SER CA . 34630 1 567 . 1 . 1 47 47 SER CB C 13 63.976 0.002 . . . . . . A 551 SER CB . 34630 1 568 . 1 . 1 47 47 SER N N 15 111.618 0.024 . . . . . . A 551 SER N . 34630 1 569 . 1 . 1 48 48 PHE H H 1 7.545 0.003 . . . . . . A 552 PHE H . 34630 1 570 . 1 . 1 48 48 PHE HA H 1 4.296 0.000 . . . . . . A 552 PHE HA . 34630 1 571 . 1 . 1 48 48 PHE HB2 H 1 2.955 0.007 . . . . . . A 552 PHE HB2 . 34630 1 572 . 1 . 1 48 48 PHE HB3 H 1 2.712 0.006 . . . . . . A 552 PHE HB3 . 34630 1 573 . 1 . 1 48 48 PHE HD1 H 1 7.316 0.001 . . . . . . A 552 PHE HD1 . 34630 1 574 . 1 . 1 48 48 PHE HD2 H 1 7.316 0.001 . . . . . . A 552 PHE HD2 . 34630 1 575 . 1 . 1 48 48 PHE HE1 H 1 7.542 0.001 . . . . . . A 552 PHE HE1 . 34630 1 576 . 1 . 1 48 48 PHE HE2 H 1 7.542 0.001 . . . . . . A 552 PHE HE2 . 34630 1 577 . 1 . 1 48 48 PHE C C 13 173.878 0.000 . . . . . . A 552 PHE C . 34630 1 578 . 1 . 1 48 48 PHE CA C 13 53.050 0.031 . . . . . . A 552 PHE CA . 34630 1 579 . 1 . 1 48 48 PHE CB C 13 34.982 0.042 . . . . . . A 552 PHE CB . 34630 1 580 . 1 . 1 48 48 PHE CD1 C 13 130.810 0.013 . . . . . . A 552 PHE CD1 . 34630 1 581 . 1 . 1 48 48 PHE CE1 C 13 131.633 0.000 . . . . . . A 552 PHE CE1 . 34630 1 582 . 1 . 1 48 48 PHE N N 15 124.606 0.045 . . . . . . A 552 PHE N . 34630 1 583 . 1 . 1 49 49 PRO HA H 1 4.329 0.001 . . . . . . A 553 PRO HA . 34630 1 584 . 1 . 1 49 49 PRO HB2 H 1 2.209 0.000 . . . . . . A 553 PRO HB2 . 34630 1 585 . 1 . 1 49 49 PRO HB3 H 1 1.778 0.000 . . . . . . A 553 PRO HB3 . 34630 1 586 . 1 . 1 49 49 PRO HG2 H 1 1.433 0.000 . . . . . . A 553 PRO HG2 . 34630 1 587 . 1 . 1 49 49 PRO HG3 H 1 1.646 0.000 . . . . . . A 553 PRO HG3 . 34630 1 588 . 1 . 1 49 49 PRO HD2 H 1 1.712 0.000 . . . . . . A 553 PRO HD2 . 34630 1 589 . 1 . 1 49 49 PRO HD3 H 1 2.785 0.000 . . . . . . A 553 PRO HD3 . 34630 1 590 . 1 . 1 49 49 PRO CA C 13 61.822 0.029 . . . . . . A 553 PRO CA . 34630 1 591 . 1 . 1 49 49 PRO CB C 13 32.507 0.024 . . . . . . A 553 PRO CB . 34630 1 592 . 1 . 1 49 49 PRO CG C 13 27.283 0.045 . . . . . . A 553 PRO CG . 34630 1 593 . 1 . 1 49 49 PRO CD C 13 48.534 0.010 . . . . . . A 553 PRO CD . 34630 1 594 . 1 . 1 50 50 PHE H H 1 8.423 0.001 . . . . . . A 554 PHE H . 34630 1 595 . 1 . 1 50 50 PHE HA H 1 4.763 0.000 . . . . . . A 554 PHE HA . 34630 1 596 . 1 . 1 50 50 PHE HB2 H 1 2.627 0.003 . . . . . . A 554 PHE HB2 . 34630 1 597 . 1 . 1 50 50 PHE HB3 H 1 2.731 0.000 . . . . . . A 554 PHE HB3 . 34630 1 598 . 1 . 1 50 50 PHE HD1 H 1 6.896 0.008 . . . . . . A 554 PHE HD1 . 34630 1 599 . 1 . 1 50 50 PHE HD2 H 1 6.896 0.008 . . . . . . A 554 PHE HD2 . 34630 1 600 . 1 . 1 50 50 PHE HE1 H 1 7.203 0.000 . . . . . . A 554 PHE HE1 . 34630 1 601 . 1 . 1 50 50 PHE HE2 H 1 7.203 0.000 . . . . . . A 554 PHE HE2 . 34630 1 602 . 1 . 1 50 50 PHE C C 13 175.362 0.003 . . . . . . A 554 PHE C . 34630 1 603 . 1 . 1 50 50 PHE CA C 13 57.007 0.041 . . . . . . A 554 PHE CA . 34630 1 604 . 1 . 1 50 50 PHE CB C 13 40.753 0.039 . . . . . . A 554 PHE CB . 34630 1 605 . 1 . 1 50 50 PHE CD1 C 13 130.765 0.096 . . . . . . A 554 PHE CD1 . 34630 1 606 . 1 . 1 50 50 PHE N N 15 120.300 0.012 . . . . . . A 554 PHE N . 34630 1 607 . 1 . 1 51 51 CYS H H 1 8.843 0.002 . . . . . . A 555 CYS H . 34630 1 608 . 1 . 1 51 51 CYS HA H 1 3.721 0.000 . . . . . . A 555 CYS HA . 34630 1 609 . 1 . 1 51 51 CYS HB2 H 1 3.139 0.000 . . . . . . A 555 CYS HB2 . 34630 1 610 . 1 . 1 51 51 CYS HB3 H 1 2.471 0.000 . . . . . . A 555 CYS HB3 . 34630 1 611 . 1 . 1 51 51 CYS C C 13 177.477 0.003 . . . . . . A 555 CYS C . 34630 1 612 . 1 . 1 51 51 CYS CA C 13 57.435 0.020 . . . . . . A 555 CYS CA . 34630 1 613 . 1 . 1 51 51 CYS CB C 13 30.825 0.042 . . . . . . A 555 CYS CB . 34630 1 614 . 1 . 1 51 51 CYS N N 15 117.616 0.027 . . . . . . A 555 CYS N . 34630 1 615 . 1 . 1 52 52 LYS H H 1 8.419 0.002 . . . . . . A 556 LYS H . 34630 1 616 . 1 . 1 52 52 LYS HA H 1 4.161 0.000 . . . . . . A 556 LYS HA . 34630 1 617 . 1 . 1 52 52 LYS HB2 H 1 2.008 0.000 . . . . . . A 556 LYS HB2 . 34630 1 618 . 1 . 1 52 52 LYS HB3 H 1 2.008 0.000 . . . . . . A 556 LYS HB3 . 34630 1 619 . 1 . 1 52 52 LYS HG2 H 1 1.689 0.000 . . . . . . A 556 LYS HG2 . 34630 1 620 . 1 . 1 52 52 LYS HG3 H 1 1.795 0.000 . . . . . . A 556 LYS HG3 . 34630 1 621 . 1 . 1 52 52 LYS HD2 H 1 1.843 0.000 . . . . . . A 556 LYS HD2 . 34630 1 622 . 1 . 1 52 52 LYS HD3 H 1 1.843 0.000 . . . . . . A 556 LYS HD3 . 34630 1 623 . 1 . 1 52 52 LYS HE2 H 1 3.046 0.000 . . . . . . A 556 LYS HE2 . 34630 1 624 . 1 . 1 52 52 LYS HE3 H 1 3.160 0.000 . . . . . . A 556 LYS HE3 . 34630 1 625 . 1 . 1 52 52 LYS C C 13 178.673 0.006 . . . . . . A 556 LYS C . 34630 1 626 . 1 . 1 52 52 LYS CA C 13 59.234 0.077 . . . . . . A 556 LYS CA . 34630 1 627 . 1 . 1 52 52 LYS CB C 13 31.305 0.044 . . . . . . A 556 LYS CB . 34630 1 628 . 1 . 1 52 52 LYS CG C 13 26.331 0.049 . . . . . . A 556 LYS CG . 34630 1 629 . 1 . 1 52 52 LYS CD C 13 29.154 0.000 . . . . . . A 556 LYS CD . 34630 1 630 . 1 . 1 52 52 LYS CE C 13 42.660 0.005 . . . . . . A 556 LYS CE . 34630 1 631 . 1 . 1 52 52 LYS N N 15 120.372 0.045 . . . . . . A 556 LYS N . 34630 1 632 . 1 . 1 53 53 HIS H H 1 10.389 0.002 . . . . . . A 557 HIS H . 34630 1 633 . 1 . 1 53 53 HIS HA H 1 4.409 0.001 . . . . . . A 557 HIS HA . 34630 1 634 . 1 . 1 53 53 HIS HB2 H 1 2.785 0.007 . . . . . . A 557 HIS HB2 . 34630 1 635 . 1 . 1 53 53 HIS HB3 H 1 3.376 0.004 . . . . . . A 557 HIS HB3 . 34630 1 636 . 1 . 1 53 53 HIS HD2 H 1 7.326 0.013 . . . . . . A 557 HIS HD2 . 34630 1 637 . 1 . 1 53 53 HIS HE1 H 1 8.413 0.001 . . . . . . A 557 HIS HE1 . 34630 1 638 . 1 . 1 53 53 HIS C C 13 176.128 0.004 . . . . . . A 557 HIS C . 34630 1 639 . 1 . 1 53 53 HIS CA C 13 59.728 0.037 . . . . . . A 557 HIS CA . 34630 1 640 . 1 . 1 53 53 HIS CB C 13 30.835 0.063 . . . . . . A 557 HIS CB . 34630 1 641 . 1 . 1 53 53 HIS CD2 C 13 119.616 0.060 . . . . . . A 557 HIS CD2 . 34630 1 642 . 1 . 1 53 53 HIS CE1 C 13 141.567 0.007 . . . . . . A 557 HIS CE1 . 34630 1 643 . 1 . 1 53 53 HIS N N 15 119.129 0.014 . . . . . . A 557 HIS N . 34630 1 644 . 1 . 1 54 54 GLY H H 1 8.297 0.002 . . . . . . A 558 GLY H . 34630 1 645 . 1 . 1 54 54 GLY HA2 H 1 4.077 0.000 . . . . . . A 558 GLY HA2 . 34630 1 646 . 1 . 1 54 54 GLY HA3 H 1 3.596 0.000 . . . . . . A 558 GLY HA3 . 34630 1 647 . 1 . 1 54 54 GLY C C 13 173.543 0.006 . . . . . . A 558 GLY C . 34630 1 648 . 1 . 1 54 54 GLY CA C 13 45.663 0.025 . . . . . . A 558 GLY CA . 34630 1 649 . 1 . 1 54 54 GLY N N 15 108.087 0.014 . . . . . . A 558 GLY N . 34630 1 650 . 1 . 1 55 55 LYS H H 1 6.818 0.005 . . . . . . A 559 LYS H . 34630 1 651 . 1 . 1 55 55 LYS HA H 1 4.609 0.000 . . . . . . A 559 LYS HA . 34630 1 652 . 1 . 1 55 55 LYS HB2 H 1 1.766 0.000 . . . . . . A 559 LYS HB2 . 34630 1 653 . 1 . 1 55 55 LYS HB3 H 1 1.830 0.000 . . . . . . A 559 LYS HB3 . 34630 1 654 . 1 . 1 55 55 LYS HG2 H 1 1.198 0.000 . . . . . . A 559 LYS HG2 . 34630 1 655 . 1 . 1 55 55 LYS HG3 H 1 1.323 0.000 . . . . . . A 559 LYS HG3 . 34630 1 656 . 1 . 1 55 55 LYS HD2 H 1 1.558 0.000 . . . . . . A 559 LYS HD2 . 34630 1 657 . 1 . 1 55 55 LYS HD3 H 1 1.402 0.000 . . . . . . A 559 LYS HD3 . 34630 1 658 . 1 . 1 55 55 LYS HE2 H 1 2.869 0.000 . . . . . . A 559 LYS HE2 . 34630 1 659 . 1 . 1 55 55 LYS HE3 H 1 2.983 0.000 . . . . . . A 559 LYS HE3 . 34630 1 660 . 1 . 1 55 55 LYS C C 13 175.102 0.002 . . . . . . A 559 LYS C . 34630 1 661 . 1 . 1 55 55 LYS CA C 13 53.457 0.034 . . . . . . A 559 LYS CA . 34630 1 662 . 1 . 1 55 55 LYS CB C 13 34.933 0.046 . . . . . . A 559 LYS CB . 34630 1 663 . 1 . 1 55 55 LYS CG C 13 24.701 0.080 . . . . . . A 559 LYS CG . 34630 1 664 . 1 . 1 55 55 LYS CD C 13 28.463 0.014 . . . . . . A 559 LYS CD . 34630 1 665 . 1 . 1 55 55 LYS CE C 13 41.900 0.009 . . . . . . A 559 LYS CE . 34630 1 666 . 1 . 1 55 55 LYS N N 15 117.184 0.020 . . . . . . A 559 LYS N . 34630 1 667 . 1 . 1 56 56 ARG H H 1 8.721 0.003 . . . . . . A 560 ARG H . 34630 1 668 . 1 . 1 56 56 ARG HA H 1 3.385 0.004 . . . . . . A 560 ARG HA . 34630 1 669 . 1 . 1 56 56 ARG HB2 H 1 1.645 0.000 . . . . . . A 560 ARG HB2 . 34630 1 670 . 1 . 1 56 56 ARG HB3 H 1 1.579 0.000 . . . . . . A 560 ARG HB3 . 34630 1 671 . 1 . 1 56 56 ARG HG2 H 1 1.589 0.006 . . . . . . A 560 ARG HG2 . 34630 1 672 . 1 . 1 56 56 ARG HG3 H 1 1.654 0.000 . . . . . . A 560 ARG HG3 . 34630 1 673 . 1 . 1 56 56 ARG HD2 H 1 2.967 0.000 . . . . . . A 560 ARG HD2 . 34630 1 674 . 1 . 1 56 56 ARG HD3 H 1 2.431 0.000 . . . . . . A 560 ARG HD3 . 34630 1 675 . 1 . 1 56 56 ARG HE H 1 6.466 0.000 . . . . . . A 560 ARG HE . 34630 1 676 . 1 . 1 56 56 ARG C C 13 175.496 0.002 . . . . . . A 560 ARG C . 34630 1 677 . 1 . 1 56 56 ARG CA C 13 57.034 0.055 . . . . . . A 560 ARG CA . 34630 1 678 . 1 . 1 56 56 ARG CB C 13 29.262 0.036 . . . . . . A 560 ARG CB . 34630 1 679 . 1 . 1 56 56 ARG CG C 13 25.678 0.032 . . . . . . A 560 ARG CG . 34630 1 680 . 1 . 1 56 56 ARG CD C 13 42.276 0.005 . . . . . . A 560 ARG CD . 34630 1 681 . 1 . 1 56 56 ARG N N 15 122.872 0.028 . . . . . . A 560 ARG N . 34630 1 682 . 1 . 1 57 57 SER H H 1 8.032 0.002 . . . . . . A 561 SER H . 34630 1 683 . 1 . 1 57 57 SER HA H 1 4.299 0.000 . . . . . . A 561 SER HA . 34630 1 684 . 1 . 1 57 57 SER HB2 H 1 4.189 0.000 . . . . . . A 561 SER HB2 . 34630 1 685 . 1 . 1 57 57 SER HB3 H 1 3.481 0.000 . . . . . . A 561 SER HB3 . 34630 1 686 . 1 . 1 57 57 SER HG H 1 4.059 0.000 . . . . . . A 561 SER HG . 34630 1 687 . 1 . 1 57 57 SER C C 13 172.174 0.002 . . . . . . A 561 SER C . 34630 1 688 . 1 . 1 57 57 SER CA C 13 59.627 0.032 . . . . . . A 561 SER CA . 34630 1 689 . 1 . 1 57 57 SER CB C 13 65.164 0.015 . . . . . . A 561 SER CB . 34630 1 690 . 1 . 1 57 57 SER N N 15 119.777 0.013 . . . . . . A 561 SER N . 34630 1 691 . 1 . 1 58 58 ILE H H 1 8.179 0.004 . . . . . . A 562 ILE H . 34630 1 692 . 1 . 1 58 58 ILE HA H 1 4.872 0.000 . . . . . . A 562 ILE HA . 34630 1 693 . 1 . 1 58 58 ILE HB H 1 1.811 0.000 . . . . . . A 562 ILE HB . 34630 1 694 . 1 . 1 58 58 ILE HG12 H 1 0.920 0.000 . . . . . . A 562 ILE HG12 . 34630 1 695 . 1 . 1 58 58 ILE HG13 H 1 1.331 0.000 . . . . . . A 562 ILE HG13 . 34630 1 696 . 1 . 1 58 58 ILE HG21 H 1 1.012 0.000 . . . . . . A 562 ILE HG21 . 34630 1 697 . 1 . 1 58 58 ILE HG22 H 1 1.012 0.000 . . . . . . A 562 ILE HG22 . 34630 1 698 . 1 . 1 58 58 ILE HG23 H 1 1.012 0.000 . . . . . . A 562 ILE HG23 . 34630 1 699 . 1 . 1 58 58 ILE HD11 H 1 0.889 0.000 . . . . . . A 562 ILE HD11 . 34630 1 700 . 1 . 1 58 58 ILE HD12 H 1 0.889 0.000 . . . . . . A 562 ILE HD12 . 34630 1 701 . 1 . 1 58 58 ILE HD13 H 1 0.889 0.000 . . . . . . A 562 ILE HD13 . 34630 1 702 . 1 . 1 58 58 ILE C C 13 174.355 0.007 . . . . . . A 562 ILE C . 34630 1 703 . 1 . 1 58 58 ILE CA C 13 58.739 0.050 . . . . . . A 562 ILE CA . 34630 1 704 . 1 . 1 58 58 ILE CB C 13 41.347 0.077 . . . . . . A 562 ILE CB . 34630 1 705 . 1 . 1 58 58 ILE CG1 C 13 26.219 0.037 . . . . . . A 562 ILE CG1 . 34630 1 706 . 1 . 1 58 58 ILE CG2 C 13 18.296 0.031 . . . . . . A 562 ILE CG2 . 34630 1 707 . 1 . 1 58 58 ILE CD1 C 13 14.382 0.000 . . . . . . A 562 ILE CD1 . 34630 1 708 . 1 . 1 58 58 ILE N N 15 109.052 0.028 . . . . . . A 562 ILE N . 34630 1 709 . 1 . 1 59 59 MET H H 1 8.747 0.002 . . . . . . A 563 MET H . 34630 1 710 . 1 . 1 59 59 MET HA H 1 4.770 0.000 . . . . . . A 563 MET HA . 34630 1 711 . 1 . 1 59 59 MET HB2 H 1 1.482 0.000 . . . . . . A 563 MET HB2 . 34630 1 712 . 1 . 1 59 59 MET HB3 H 1 1.843 0.000 . . . . . . A 563 MET HB3 . 34630 1 713 . 1 . 1 59 59 MET HG2 H 1 1.915 0.012 . . . . . . A 563 MET HG2 . 34630 1 714 . 1 . 1 59 59 MET HG3 H 1 1.425 0.000 . . . . . . A 563 MET HG3 . 34630 1 715 . 1 . 1 59 59 MET HE1 H 1 1.758 0.002 . . . . . . A 563 MET HE1 . 34630 1 716 . 1 . 1 59 59 MET HE2 H 1 1.758 0.002 . . . . . . A 563 MET HE2 . 34630 1 717 . 1 . 1 59 59 MET HE3 H 1 1.758 0.002 . . . . . . A 563 MET HE3 . 34630 1 718 . 1 . 1 59 59 MET C C 13 175.716 0.004 . . . . . . A 563 MET C . 34630 1 719 . 1 . 1 59 59 MET CA C 13 54.351 0.021 . . . . . . A 563 MET CA . 34630 1 720 . 1 . 1 59 59 MET CB C 13 35.958 0.053 . . . . . . A 563 MET CB . 34630 1 721 . 1 . 1 59 59 MET CG C 13 32.086 0.031 . . . . . . A 563 MET CG . 34630 1 722 . 1 . 1 59 59 MET CE C 13 17.291 0.007 . . . . . . A 563 MET CE . 34630 1 723 . 1 . 1 59 59 MET N N 15 122.265 0.038 . . . . . . A 563 MET N . 34630 1 724 . 1 . 1 60 60 LYS H H 1 8.684 0.002 . . . . . . A 564 LYS H . 34630 1 725 . 1 . 1 60 60 LYS HA H 1 4.321 0.000 . . . . . . A 564 LYS HA . 34630 1 726 . 1 . 1 60 60 LYS HB2 H 1 0.149 0.003 . . . . . . A 564 LYS HB2 . 34630 1 727 . 1 . 1 60 60 LYS HB3 H 1 1.303 0.008 . . . . . . A 564 LYS HB3 . 34630 1 728 . 1 . 1 60 60 LYS HG2 H 1 1.053 0.000 . . . . . . A 564 LYS HG2 . 34630 1 729 . 1 . 1 60 60 LYS HG3 H 1 1.053 0.000 . . . . . . A 564 LYS HG3 . 34630 1 730 . 1 . 1 60 60 LYS HD2 H 1 1.631 0.000 . . . . . . A 564 LYS HD2 . 34630 1 731 . 1 . 1 60 60 LYS HD3 H 1 1.576 0.000 . . . . . . A 564 LYS HD3 . 34630 1 732 . 1 . 1 60 60 LYS HE2 H 1 2.842 0.000 . . . . . . A 564 LYS HE2 . 34630 1 733 . 1 . 1 60 60 LYS HE3 H 1 2.923 0.000 . . . . . . A 564 LYS HE3 . 34630 1 734 . 1 . 1 60 60 LYS C C 13 174.074 0.002 . . . . . . A 564 LYS C . 34630 1 735 . 1 . 1 60 60 LYS CA C 13 54.008 0.086 . . . . . . A 564 LYS CA . 34630 1 736 . 1 . 1 60 60 LYS CB C 13 36.355 0.064 . . . . . . A 564 LYS CB . 34630 1 737 . 1 . 1 60 60 LYS CG C 13 25.254 0.019 . . . . . . A 564 LYS CG . 34630 1 738 . 1 . 1 60 60 LYS CD C 13 29.084 0.012 . . . . . . A 564 LYS CD . 34630 1 739 . 1 . 1 60 60 LYS CE C 13 42.311 0.007 . . . . . . A 564 LYS CE . 34630 1 740 . 1 . 1 60 60 LYS N N 15 127.477 0.026 . . . . . . A 564 LYS N . 34630 1 741 . 1 . 1 61 61 THR H H 1 7.664 0.002 . . . . . . A 565 THR H . 34630 1 742 . 1 . 1 61 61 THR HA H 1 5.053 0.000 . . . . . . A 565 THR HA . 34630 1 743 . 1 . 1 61 61 THR HB H 1 3.518 0.000 . . . . . . A 565 THR HB . 34630 1 744 . 1 . 1 61 61 THR HG21 H 1 1.059 0.000 . . . . . . A 565 THR HG21 . 34630 1 745 . 1 . 1 61 61 THR HG22 H 1 1.059 0.000 . . . . . . A 565 THR HG22 . 34630 1 746 . 1 . 1 61 61 THR HG23 H 1 1.059 0.000 . . . . . . A 565 THR HG23 . 34630 1 747 . 1 . 1 61 61 THR C C 13 174.583 0.005 . . . . . . A 565 THR C . 34630 1 748 . 1 . 1 61 61 THR CA C 13 61.324 0.031 . . . . . . A 565 THR CA . 34630 1 749 . 1 . 1 61 61 THR CB C 13 72.015 0.032 . . . . . . A 565 THR CB . 34630 1 750 . 1 . 1 61 61 THR CG2 C 13 21.385 0.034 . . . . . . A 565 THR CG2 . 34630 1 751 . 1 . 1 61 61 THR N N 15 114.376 0.028 . . . . . . A 565 THR N . 34630 1 752 . 1 . 1 62 62 VAL H H 1 9.040 0.002 . . . . . . A 566 VAL H . 34630 1 753 . 1 . 1 62 62 VAL HA H 1 4.099 0.000 . . . . . . A 566 VAL HA . 34630 1 754 . 1 . 1 62 62 VAL HB H 1 2.665 0.000 . . . . . . A 566 VAL HB . 34630 1 755 . 1 . 1 62 62 VAL HG11 H 1 1.090 0.003 . . . . . . A 566 VAL HG11 . 34630 1 756 . 1 . 1 62 62 VAL HG12 H 1 1.090 0.003 . . . . . . A 566 VAL HG12 . 34630 1 757 . 1 . 1 62 62 VAL HG13 H 1 1.090 0.003 . . . . . . A 566 VAL HG13 . 34630 1 758 . 1 . 1 62 62 VAL HG21 H 1 1.448 0.003 . . . . . . A 566 VAL HG21 . 34630 1 759 . 1 . 1 62 62 VAL HG22 H 1 1.448 0.003 . . . . . . A 566 VAL HG22 . 34630 1 760 . 1 . 1 62 62 VAL HG23 H 1 1.448 0.003 . . . . . . A 566 VAL HG23 . 34630 1 761 . 1 . 1 62 62 VAL C C 13 176.026 0.002 . . . . . . A 566 VAL C . 34630 1 762 . 1 . 1 62 62 VAL CA C 13 64.230 0.034 . . . . . . A 566 VAL CA . 34630 1 763 . 1 . 1 62 62 VAL CB C 13 31.902 0.133 . . . . . . A 566 VAL CB . 34630 1 764 . 1 . 1 62 62 VAL CG1 C 13 22.369 0.053 . . . . . . A 566 VAL CG1 . 34630 1 765 . 1 . 1 62 62 VAL CG2 C 13 22.636 0.000 . . . . . . A 566 VAL CG2 . 34630 1 766 . 1 . 1 62 62 VAL N N 15 127.122 0.022 . . . . . . A 566 VAL N . 34630 1 767 . 1 . 1 63 63 LEU H H 1 8.698 0.002 . . . . . . A 567 LEU H . 34630 1 768 . 1 . 1 63 63 LEU HA H 1 4.614 0.000 . . . . . . A 567 LEU HA . 34630 1 769 . 1 . 1 63 63 LEU HB2 H 1 1.631 0.000 . . . . . . A 567 LEU HB2 . 34630 1 770 . 1 . 1 63 63 LEU HB3 H 1 1.691 0.000 . . . . . . A 567 LEU HB3 . 34630 1 771 . 1 . 1 63 63 LEU HG H 1 1.727 0.000 . . . . . . A 567 LEU HG . 34630 1 772 . 1 . 1 63 63 LEU HD11 H 1 0.966 0.000 . . . . . . A 567 LEU HD11 . 34630 1 773 . 1 . 1 63 63 LEU HD12 H 1 0.966 0.000 . . . . . . A 567 LEU HD12 . 34630 1 774 . 1 . 1 63 63 LEU HD13 H 1 0.966 0.000 . . . . . . A 567 LEU HD13 . 34630 1 775 . 1 . 1 63 63 LEU HD21 H 1 0.834 0.000 . . . . . . A 567 LEU HD21 . 34630 1 776 . 1 . 1 63 63 LEU HD22 H 1 0.834 0.000 . . . . . . A 567 LEU HD22 . 34630 1 777 . 1 . 1 63 63 LEU HD23 H 1 0.834 0.000 . . . . . . A 567 LEU HD23 . 34630 1 778 . 1 . 1 63 63 LEU C C 13 177.339 0.005 . . . . . . A 567 LEU C . 34630 1 779 . 1 . 1 63 63 LEU CA C 13 54.638 0.013 . . . . . . A 567 LEU CA . 34630 1 780 . 1 . 1 63 63 LEU CB C 13 42.716 0.035 . . . . . . A 567 LEU CB . 34630 1 781 . 1 . 1 63 63 LEU CG C 13 26.669 0.000 . . . . . . A 567 LEU CG . 34630 1 782 . 1 . 1 63 63 LEU CD1 C 13 25.345 0.000 . . . . . . A 567 LEU CD1 . 34630 1 783 . 1 . 1 63 63 LEU CD2 C 13 22.812 0.000 . . . . . . A 567 LEU CD2 . 34630 1 784 . 1 . 1 63 63 LEU N N 15 131.140 0.028 . . . . . . A 567 LEU N . 34630 1 785 . 1 . 1 64 64 LYS H H 1 7.299 0.002 . . . . . . A 568 LYS H . 34630 1 786 . 1 . 1 64 64 LYS HA H 1 4.238 0.000 . . . . . . A 568 LYS HA . 34630 1 787 . 1 . 1 64 64 LYS HB2 H 1 1.716 0.000 . . . . . . A 568 LYS HB2 . 34630 1 788 . 1 . 1 64 64 LYS HB3 H 1 1.716 0.000 . . . . . . A 568 LYS HB3 . 34630 1 789 . 1 . 1 64 64 LYS HG2 H 1 1.502 0.000 . . . . . . A 568 LYS HG2 . 34630 1 790 . 1 . 1 64 64 LYS HG3 H 1 1.538 0.000 . . . . . . A 568 LYS HG3 . 34630 1 791 . 1 . 1 64 64 LYS HD2 H 1 1.718 0.000 . . . . . . A 568 LYS HD2 . 34630 1 792 . 1 . 1 64 64 LYS HD3 H 1 1.718 0.000 . . . . . . A 568 LYS HD3 . 34630 1 793 . 1 . 1 64 64 LYS HE2 H 1 3.043 0.000 . . . . . . A 568 LYS HE2 . 34630 1 794 . 1 . 1 64 64 LYS HE3 H 1 3.043 0.000 . . . . . . A 568 LYS HE3 . 34630 1 795 . 1 . 1 64 64 LYS C C 13 176.844 0.006 . . . . . . A 568 LYS C . 34630 1 796 . 1 . 1 64 64 LYS CA C 13 56.416 0.041 . . . . . . A 568 LYS CA . 34630 1 797 . 1 . 1 64 64 LYS CB C 13 33.500 0.019 . . . . . . A 568 LYS CB . 34630 1 798 . 1 . 1 64 64 LYS CG C 13 24.646 0.090 . . . . . . A 568 LYS CG . 34630 1 799 . 1 . 1 64 64 LYS CD C 13 29.347 0.000 . . . . . . A 568 LYS CD . 34630 1 800 . 1 . 1 64 64 LYS CE C 13 42.220 0.000 . . . . . . A 568 LYS CE . 34630 1 801 . 1 . 1 64 64 LYS N N 15 121.464 0.054 . . . . . . A 568 LYS N . 34630 1 802 . 1 . 1 65 65 ILE H H 1 8.371 0.001 . . . . . . A 569 ILE H . 34630 1 803 . 1 . 1 65 65 ILE HA H 1 3.907 0.000 . . . . . . A 569 ILE HA . 34630 1 804 . 1 . 1 65 65 ILE HB H 1 1.844 0.000 . . . . . . A 569 ILE HB . 34630 1 805 . 1 . 1 65 65 ILE HG12 H 1 1.315 0.000 . . . . . . A 569 ILE HG12 . 34630 1 806 . 1 . 1 65 65 ILE HG13 H 1 1.566 0.000 . . . . . . A 569 ILE HG13 . 34630 1 807 . 1 . 1 65 65 ILE HG21 H 1 0.935 0.000 . . . . . . A 569 ILE HG21 . 34630 1 808 . 1 . 1 65 65 ILE HG22 H 1 0.935 0.000 . . . . . . A 569 ILE HG22 . 34630 1 809 . 1 . 1 65 65 ILE HG23 H 1 0.935 0.000 . . . . . . A 569 ILE HG23 . 34630 1 810 . 1 . 1 65 65 ILE HD11 H 1 0.879 0.000 . . . . . . A 569 ILE HD11 . 34630 1 811 . 1 . 1 65 65 ILE HD12 H 1 0.879 0.000 . . . . . . A 569 ILE HD12 . 34630 1 812 . 1 . 1 65 65 ILE HD13 H 1 0.879 0.000 . . . . . . A 569 ILE HD13 . 34630 1 813 . 1 . 1 65 65 ILE C C 13 175.747 0.005 . . . . . . A 569 ILE C . 34630 1 814 . 1 . 1 65 65 ILE CA C 13 62.444 0.081 . . . . . . A 569 ILE CA . 34630 1 815 . 1 . 1 65 65 ILE CB C 13 37.764 0.053 . . . . . . A 569 ILE CB . 34630 1 816 . 1 . 1 65 65 ILE CG1 C 13 27.677 0.003 . . . . . . A 569 ILE CG1 . 34630 1 817 . 1 . 1 65 65 ILE CG2 C 13 17.293 0.014 . . . . . . A 569 ILE CG2 . 34630 1 818 . 1 . 1 65 65 ILE CD1 C 13 12.426 0.000 . . . . . . A 569 ILE CD1 . 34630 1 819 . 1 . 1 65 65 ILE N N 15 125.539 0.010 . . . . . . A 569 ILE N . 34630 1 820 . 1 . 1 66 66 GLY H H 1 8.247 0.001 . . . . . . A 570 GLY H . 34630 1 821 . 1 . 1 66 66 GLY HA2 H 1 4.659 0.000 . . . . . . A 570 GLY HA2 . 34630 1 822 . 1 . 1 66 66 GLY HA3 H 1 3.809 0.000 . . . . . . A 570 GLY HA3 . 34630 1 823 . 1 . 1 66 66 GLY C C 13 172.783 0.000 . . . . . . A 570 GLY C . 34630 1 824 . 1 . 1 66 66 GLY CA C 13 44.216 0.032 . . . . . . A 570 GLY CA . 34630 1 825 . 1 . 1 66 66 GLY N N 15 114.720 0.029 . . . . . . A 570 GLY N . 34630 1 826 . 1 . 1 67 67 PRO HA H 1 4.292 0.000 . . . . . . A 571 PRO HA . 34630 1 827 . 1 . 1 67 67 PRO HB2 H 1 2.305 0.000 . . . . . . A 571 PRO HB2 . 34630 1 828 . 1 . 1 67 67 PRO HB3 H 1 1.816 0.000 . . . . . . A 571 PRO HB3 . 34630 1 829 . 1 . 1 67 67 PRO HG2 H 1 1.982 0.000 . . . . . . A 571 PRO HG2 . 34630 1 830 . 1 . 1 67 67 PRO HG3 H 1 1.982 0.000 . . . . . . A 571 PRO HG3 . 34630 1 831 . 1 . 1 67 67 PRO HD2 H 1 3.684 0.000 . . . . . . A 571 PRO HD2 . 34630 1 832 . 1 . 1 67 67 PRO HD3 H 1 3.597 0.000 . . . . . . A 571 PRO HD3 . 34630 1 833 . 1 . 1 67 67 PRO C C 13 177.546 0.002 . . . . . . A 571 PRO C . 34630 1 834 . 1 . 1 67 67 PRO CA C 13 64.380 0.047 . . . . . . A 571 PRO CA . 34630 1 835 . 1 . 1 67 67 PRO CB C 13 32.193 0.073 . . . . . . A 571 PRO CB . 34630 1 836 . 1 . 1 67 67 PRO CG C 13 27.093 0.047 . . . . . . A 571 PRO CG . 34630 1 837 . 1 . 1 67 67 PRO CD C 13 49.719 0.008 . . . . . . A 571 PRO CD . 34630 1 838 . 1 . 1 68 68 ASN H H 1 8.466 0.004 . . . . . . A 572 ASN H . 34630 1 839 . 1 . 1 68 68 ASN HA H 1 4.602 0.000 . . . . . . A 572 ASN HA . 34630 1 840 . 1 . 1 68 68 ASN HB2 H 1 2.865 0.003 . . . . . . A 572 ASN HB2 . 34630 1 841 . 1 . 1 68 68 ASN HB3 H 1 2.957 0.000 . . . . . . A 572 ASN HB3 . 34630 1 842 . 1 . 1 68 68 ASN HD21 H 1 7.586 0.000 . . . . . . A 572 ASN HD21 . 34630 1 843 . 1 . 1 68 68 ASN HD22 H 1 6.993 0.000 . . . . . . A 572 ASN HD22 . 34630 1 844 . 1 . 1 68 68 ASN C C 13 174.048 0.010 . . . . . . A 572 ASN C . 34630 1 845 . 1 . 1 68 68 ASN CA C 13 52.849 0.020 . . . . . . A 572 ASN CA . 34630 1 846 . 1 . 1 68 68 ASN CB C 13 38.854 0.041 . . . . . . A 572 ASN CB . 34630 1 847 . 1 . 1 68 68 ASN N N 15 114.168 0.034 . . . . . . A 572 ASN N . 34630 1 848 . 1 . 1 68 68 ASN ND2 N 15 114.416 0.001 . . . . . . A 572 ASN ND2 . 34630 1 849 . 1 . 1 69 69 ASN H H 1 7.597 0.003 . . . . . . A 573 ASN H . 34630 1 850 . 1 . 1 69 69 ASN HA H 1 4.045 0.000 . . . . . . A 573 ASN HA . 34630 1 851 . 1 . 1 69 69 ASN HB2 H 1 2.649 0.000 . . . . . . A 573 ASN HB2 . 34630 1 852 . 1 . 1 69 69 ASN HB3 H 1 3.306 0.000 . . . . . . A 573 ASN HB3 . 34630 1 853 . 1 . 1 69 69 ASN HD21 H 1 6.761 0.000 . . . . . . A 573 ASN HD21 . 34630 1 854 . 1 . 1 69 69 ASN HD22 H 1 7.092 0.000 . . . . . . A 573 ASN HD22 . 34630 1 855 . 1 . 1 69 69 ASN C C 13 176.506 0.001 . . . . . . A 573 ASN C . 34630 1 856 . 1 . 1 69 69 ASN CA C 13 56.680 0.057 . . . . . . A 573 ASN CA . 34630 1 857 . 1 . 1 69 69 ASN CB C 13 40.210 0.038 . . . . . . A 573 ASN CB . 34630 1 858 . 1 . 1 69 69 ASN N N 15 118.516 0.020 . . . . . . A 573 ASN N . 34630 1 859 . 1 . 1 69 69 ASN ND2 N 15 111.285 0.000 . . . . . . A 573 ASN ND2 . 34630 1 860 . 1 . 1 70 70 GLY H H 1 9.064 0.002 . . . . . . A 574 GLY H . 34630 1 861 . 1 . 1 70 70 GLY HA2 H 1 4.175 0.000 . . . . . . A 574 GLY HA2 . 34630 1 862 . 1 . 1 70 70 GLY HA3 H 1 3.568 0.000 . . . . . . A 574 GLY HA3 . 34630 1 863 . 1 . 1 70 70 GLY C C 13 173.979 0.002 . . . . . . A 574 GLY C . 34630 1 864 . 1 . 1 70 70 GLY CA C 13 45.376 0.010 . . . . . . A 574 GLY CA . 34630 1 865 . 1 . 1 70 70 GLY N N 15 114.339 0.019 . . . . . . A 574 GLY N . 34630 1 866 . 1 . 1 71 71 LYS H H 1 8.012 0.001 . . . . . . A 575 LYS H . 34630 1 867 . 1 . 1 71 71 LYS HA H 1 4.347 0.000 . . . . . . A 575 LYS HA . 34630 1 868 . 1 . 1 71 71 LYS HB2 H 1 2.003 0.000 . . . . . . A 575 LYS HB2 . 34630 1 869 . 1 . 1 71 71 LYS HB3 H 1 1.959 0.000 . . . . . . A 575 LYS HB3 . 34630 1 870 . 1 . 1 71 71 LYS HG2 H 1 1.319 0.000 . . . . . . A 575 LYS HG2 . 34630 1 871 . 1 . 1 71 71 LYS HG3 H 1 1.319 0.000 . . . . . . A 575 LYS HG3 . 34630 1 872 . 1 . 1 71 71 LYS HD2 H 1 1.211 0.000 . . . . . . A 575 LYS HD2 . 34630 1 873 . 1 . 1 71 71 LYS HD3 H 1 1.148 0.000 . . . . . . A 575 LYS HD3 . 34630 1 874 . 1 . 1 71 71 LYS HE2 H 1 2.658 0.000 . . . . . . A 575 LYS HE2 . 34630 1 875 . 1 . 1 71 71 LYS HE3 H 1 2.734 0.000 . . . . . . A 575 LYS HE3 . 34630 1 876 . 1 . 1 71 71 LYS C C 13 176.050 0.005 . . . . . . A 575 LYS C . 34630 1 877 . 1 . 1 71 71 LYS CA C 13 56.942 0.045 . . . . . . A 575 LYS CA . 34630 1 878 . 1 . 1 71 71 LYS CB C 13 34.419 0.027 . . . . . . A 575 LYS CB . 34630 1 879 . 1 . 1 71 71 LYS CG C 13 25.988 0.045 . . . . . . A 575 LYS CG . 34630 1 880 . 1 . 1 71 71 LYS CD C 13 29.149 0.088 . . . . . . A 575 LYS CD . 34630 1 881 . 1 . 1 71 71 LYS CE C 13 42.044 0.006 . . . . . . A 575 LYS CE . 34630 1 882 . 1 . 1 71 71 LYS N N 15 120.106 0.019 . . . . . . A 575 LYS N . 34630 1 883 . 1 . 1 72 72 ASN H H 1 8.858 0.002 . . . . . . A 576 ASN H . 34630 1 884 . 1 . 1 72 72 ASN HA H 1 5.851 0.000 . . . . . . A 576 ASN HA . 34630 1 885 . 1 . 1 72 72 ASN HB2 H 1 2.364 0.000 . . . . . . A 576 ASN HB2 . 34630 1 886 . 1 . 1 72 72 ASN HB3 H 1 2.498 0.000 . . . . . . A 576 ASN HB3 . 34630 1 887 . 1 . 1 72 72 ASN HD21 H 1 7.345 0.000 . . . . . . A 576 ASN HD21 . 34630 1 888 . 1 . 1 72 72 ASN HD22 H 1 6.722 0.000 . . . . . . A 576 ASN HD22 . 34630 1 889 . 1 . 1 72 72 ASN C C 13 175.152 0.003 . . . . . . A 576 ASN C . 34630 1 890 . 1 . 1 72 72 ASN CA C 13 51.954 0.008 . . . . . . A 576 ASN CA . 34630 1 891 . 1 . 1 72 72 ASN CB C 13 41.237 0.105 . . . . . . A 576 ASN CB . 34630 1 892 . 1 . 1 72 72 ASN N N 15 118.937 0.036 . . . . . . A 576 ASN N . 34630 1 893 . 1 . 1 72 72 ASN ND2 N 15 112.778 0.000 . . . . . . A 576 ASN ND2 . 34630 1 894 . 1 . 1 73 73 PHE H H 1 8.594 0.002 . . . . . . A 577 PHE H . 34630 1 895 . 1 . 1 73 73 PHE HA H 1 4.619 0.000 . . . . . . A 577 PHE HA . 34630 1 896 . 1 . 1 73 73 PHE HB2 H 1 1.625 0.000 . . . . . . A 577 PHE HB2 . 34630 1 897 . 1 . 1 73 73 PHE HB3 H 1 2.689 0.003 . . . . . . A 577 PHE HB3 . 34630 1 898 . 1 . 1 73 73 PHE HD1 H 1 6.667 0.008 . . . . . . A 577 PHE HD1 . 34630 1 899 . 1 . 1 73 73 PHE HD2 H 1 6.667 0.008 . . . . . . A 577 PHE HD2 . 34630 1 900 . 1 . 1 73 73 PHE HE1 H 1 7.055 0.019 . . . . . . A 577 PHE HE1 . 34630 1 901 . 1 . 1 73 73 PHE HE2 H 1 7.055 0.019 . . . . . . A 577 PHE HE2 . 34630 1 902 . 1 . 1 73 73 PHE HZ H 1 7.203 0.004 . . . . . . A 577 PHE HZ . 34630 1 903 . 1 . 1 73 73 PHE C C 13 180.461 0.008 . . . . . . A 577 PHE C . 34630 1 904 . 1 . 1 73 73 PHE CA C 13 55.416 0.061 . . . . . . A 577 PHE CA . 34630 1 905 . 1 . 1 73 73 PHE CB C 13 41.494 0.085 . . . . . . A 577 PHE CB . 34630 1 906 . 1 . 1 73 73 PHE CD1 C 13 133.723 0.040 . . . . . . A 577 PHE CD1 . 34630 1 907 . 1 . 1 73 73 PHE CE1 C 13 130.457 0.059 . . . . . . A 577 PHE CE1 . 34630 1 908 . 1 . 1 73 73 PHE CZ C 13 130.123 0.000 . . . . . . A 577 PHE CZ . 34630 1 909 . 1 . 1 73 73 PHE N N 15 118.353 0.024 . . . . . . A 577 PHE N . 34630 1 910 . 1 . 1 74 74 PHE H H 1 8.781 0.003 . . . . . . A 578 PHE H . 34630 1 911 . 1 . 1 74 74 PHE HA H 1 5.569 0.000 . . . . . . A 578 PHE HA . 34630 1 912 . 1 . 1 74 74 PHE HB2 H 1 3.285 0.005 . . . . . . A 578 PHE HB2 . 34630 1 913 . 1 . 1 74 74 PHE HB3 H 1 2.486 0.000 . . . . . . A 578 PHE HB3 . 34630 1 914 . 1 . 1 74 74 PHE HD1 H 1 6.575 0.009 . . . . . . A 578 PHE HD1 . 34630 1 915 . 1 . 1 74 74 PHE HD2 H 1 6.575 0.009 . . . . . . A 578 PHE HD2 . 34630 1 916 . 1 . 1 74 74 PHE HE1 H 1 6.145 0.000 . . . . . . A 578 PHE HE1 . 34630 1 917 . 1 . 1 74 74 PHE HE2 H 1 6.145 0.000 . . . . . . A 578 PHE HE2 . 34630 1 918 . 1 . 1 74 74 PHE HZ H 1 6.826 0.000 . . . . . . A 578 PHE HZ . 34630 1 919 . 1 . 1 74 74 PHE C C 13 175.508 0.007 . . . . . . A 578 PHE C . 34630 1 920 . 1 . 1 74 74 PHE CA C 13 56.157 0.021 . . . . . . A 578 PHE CA . 34630 1 921 . 1 . 1 74 74 PHE CB C 13 42.381 0.028 . . . . . . A 578 PHE CB . 34630 1 922 . 1 . 1 74 74 PHE CD1 C 13 131.034 0.082 . . . . . . A 578 PHE CD1 . 34630 1 923 . 1 . 1 74 74 PHE CE1 C 13 130.565 0.000 . . . . . . A 578 PHE CE1 . 34630 1 924 . 1 . 1 74 74 PHE CZ C 13 129.197 0.000 . . . . . . A 578 PHE CZ . 34630 1 925 . 1 . 1 74 74 PHE N N 15 118.810 0.022 . . . . . . A 578 PHE N . 34630 1 926 . 1 . 1 75 75 VAL H H 1 8.378 0.002 . . . . . . A 579 VAL H . 34630 1 927 . 1 . 1 75 75 VAL HA H 1 5.031 0.000 . . . . . . A 579 VAL HA . 34630 1 928 . 1 . 1 75 75 VAL HB H 1 2.565 0.000 . . . . . . A 579 VAL HB . 34630 1 929 . 1 . 1 75 75 VAL HG11 H 1 1.239 0.002 . . . . . . A 579 VAL HG11 . 34630 1 930 . 1 . 1 75 75 VAL HG12 H 1 1.239 0.002 . . . . . . A 579 VAL HG12 . 34630 1 931 . 1 . 1 75 75 VAL HG13 H 1 1.239 0.002 . . . . . . A 579 VAL HG13 . 34630 1 932 . 1 . 1 75 75 VAL HG21 H 1 0.856 0.000 . . . . . . A 579 VAL HG21 . 34630 1 933 . 1 . 1 75 75 VAL HG22 H 1 0.856 0.000 . . . . . . A 579 VAL HG22 . 34630 1 934 . 1 . 1 75 75 VAL HG23 H 1 0.856 0.000 . . . . . . A 579 VAL HG23 . 34630 1 935 . 1 . 1 75 75 VAL C C 13 174.399 0.006 . . . . . . A 579 VAL C . 34630 1 936 . 1 . 1 75 75 VAL CA C 13 59.093 0.060 . . . . . . A 579 VAL CA . 34630 1 937 . 1 . 1 75 75 VAL CB C 13 37.795 0.073 . . . . . . A 579 VAL CB . 34630 1 938 . 1 . 1 75 75 VAL CG1 C 13 23.044 0.023 . . . . . . A 579 VAL CG1 . 34630 1 939 . 1 . 1 75 75 VAL CG2 C 13 18.403 0.000 . . . . . . A 579 VAL CG2 . 34630 1 940 . 1 . 1 75 75 VAL N N 15 109.839 0.019 . . . . . . A 579 VAL N . 34630 1 941 . 1 . 1 76 76 CYS H H 1 8.442 0.002 . . . . . . A 580 CYS H . 34630 1 942 . 1 . 1 76 76 CYS HA H 1 4.352 0.000 . . . . . . A 580 CYS HA . 34630 1 943 . 1 . 1 76 76 CYS HB2 H 1 4.145 0.000 . . . . . . A 580 CYS HB2 . 34630 1 944 . 1 . 1 76 76 CYS HB3 H 1 2.943 0.000 . . . . . . A 580 CYS HB3 . 34630 1 945 . 1 . 1 76 76 CYS C C 13 175.487 0.000 . . . . . . A 580 CYS C . 34630 1 946 . 1 . 1 76 76 CYS CA C 13 57.386 0.023 . . . . . . A 580 CYS CA . 34630 1 947 . 1 . 1 76 76 CYS CB C 13 33.156 0.013 . . . . . . A 580 CYS CB . 34630 1 948 . 1 . 1 76 76 CYS N N 15 122.362 0.016 . . . . . . A 580 CYS N . 34630 1 949 . 1 . 1 77 77 PRO HA H 1 4.544 0.000 . . . . . . A 581 PRO HA . 34630 1 950 . 1 . 1 77 77 PRO HB2 H 1 2.183 0.000 . . . . . . A 581 PRO HB2 . 34630 1 951 . 1 . 1 77 77 PRO HB3 H 1 2.266 0.000 . . . . . . A 581 PRO HB3 . 34630 1 952 . 1 . 1 77 77 PRO HG2 H 1 2.161 0.000 . . . . . . A 581 PRO HG2 . 34630 1 953 . 1 . 1 77 77 PRO HG3 H 1 1.501 0.000 . . . . . . A 581 PRO HG3 . 34630 1 954 . 1 . 1 77 77 PRO HD2 H 1 5.118 0.000 . . . . . . A 581 PRO HD2 . 34630 1 955 . 1 . 1 77 77 PRO HD3 H 1 3.478 0.000 . . . . . . A 581 PRO HD3 . 34630 1 956 . 1 . 1 77 77 PRO C C 13 177.129 0.001 . . . . . . A 581 PRO C . 34630 1 957 . 1 . 1 77 77 PRO CA C 13 63.688 0.009 . . . . . . A 581 PRO CA . 34630 1 958 . 1 . 1 77 77 PRO CB C 13 33.448 0.047 . . . . . . A 581 PRO CB . 34630 1 959 . 1 . 1 77 77 PRO CG C 13 26.610 0.014 . . . . . . A 581 PRO CG . 34630 1 960 . 1 . 1 77 77 PRO CD C 13 52.087 0.001 . . . . . . A 581 PRO CD . 34630 1 961 . 1 . 1 78 78 LEU H H 1 8.304 0.003 . . . . . . A 582 LEU H . 34630 1 962 . 1 . 1 78 78 LEU HA H 1 4.255 0.000 . . . . . . A 582 LEU HA . 34630 1 963 . 1 . 1 78 78 LEU HB2 H 1 1.677 0.000 . . . . . . A 582 LEU HB2 . 34630 1 964 . 1 . 1 78 78 LEU HB3 H 1 1.374 0.000 . . . . . . A 582 LEU HB3 . 34630 1 965 . 1 . 1 78 78 LEU HG H 1 1.326 0.000 . . . . . . A 582 LEU HG . 34630 1 966 . 1 . 1 78 78 LEU HD11 H 1 0.588 0.000 . . . . . . A 582 LEU HD11 . 34630 1 967 . 1 . 1 78 78 LEU HD12 H 1 0.588 0.000 . . . . . . A 582 LEU HD12 . 34630 1 968 . 1 . 1 78 78 LEU HD13 H 1 0.588 0.000 . . . . . . A 582 LEU HD13 . 34630 1 969 . 1 . 1 78 78 LEU HD21 H 1 0.074 0.004 . . . . . . A 582 LEU HD21 . 34630 1 970 . 1 . 1 78 78 LEU HD22 H 1 0.074 0.004 . . . . . . A 582 LEU HD22 . 34630 1 971 . 1 . 1 78 78 LEU HD23 H 1 0.074 0.004 . . . . . . A 582 LEU HD23 . 34630 1 972 . 1 . 1 78 78 LEU C C 13 175.596 0.004 . . . . . . A 582 LEU C . 34630 1 973 . 1 . 1 78 78 LEU CA C 13 55.140 0.048 . . . . . . A 582 LEU CA . 34630 1 974 . 1 . 1 78 78 LEU CB C 13 41.564 0.028 . . . . . . A 582 LEU CB . 34630 1 975 . 1 . 1 78 78 LEU CG C 13 27.565 0.000 . . . . . . A 582 LEU CG . 34630 1 976 . 1 . 1 78 78 LEU CD1 C 13 21.836 0.000 . . . . . . A 582 LEU CD1 . 34630 1 977 . 1 . 1 78 78 LEU CD2 C 13 23.351 0.016 . . . . . . A 582 LEU CD2 . 34630 1 978 . 1 . 1 78 78 LEU N N 15 123.149 0.018 . . . . . . A 582 LEU N . 34630 1 979 . 1 . 1 79 79 GLU H H 1 8.413 0.002 . . . . . . A 583 GLU H . 34630 1 980 . 1 . 1 79 79 GLU HA H 1 4.238 0.000 . . . . . . A 583 GLU HA . 34630 1 981 . 1 . 1 79 79 GLU HB2 H 1 1.973 0.000 . . . . . . A 583 GLU HB2 . 34630 1 982 . 1 . 1 79 79 GLU HB3 H 1 2.169 0.000 . . . . . . A 583 GLU HB3 . 34630 1 983 . 1 . 1 79 79 GLU HG2 H 1 2.309 0.000 . . . . . . A 583 GLU HG2 . 34630 1 984 . 1 . 1 79 79 GLU HG3 H 1 2.309 0.000 . . . . . . A 583 GLU HG3 . 34630 1 985 . 1 . 1 79 79 GLU C C 13 177.595 0.002 . . . . . . A 583 GLU C . 34630 1 986 . 1 . 1 79 79 GLU CA C 13 56.564 0.017 . . . . . . A 583 GLU CA . 34630 1 987 . 1 . 1 79 79 GLU CB C 13 30.436 0.020 . . . . . . A 583 GLU CB . 34630 1 988 . 1 . 1 79 79 GLU CG C 13 36.361 0.065 . . . . . . A 583 GLU CG . 34630 1 989 . 1 . 1 79 79 GLU N N 15 117.170 0.015 . . . . . . A 583 GLU N . 34630 1 990 . 1 . 1 80 80 LYS H H 1 8.579 0.002 . . . . . . A 584 LYS H . 34630 1 991 . 1 . 1 80 80 LYS HA H 1 4.024 0.000 . . . . . . A 584 LYS HA . 34630 1 992 . 1 . 1 80 80 LYS HB2 H 1 1.829 0.000 . . . . . . A 584 LYS HB2 . 34630 1 993 . 1 . 1 80 80 LYS HB3 H 1 1.930 0.000 . . . . . . A 584 LYS HB3 . 34630 1 994 . 1 . 1 80 80 LYS HG2 H 1 1.452 0.000 . . . . . . A 584 LYS HG2 . 34630 1 995 . 1 . 1 80 80 LYS HG3 H 1 1.452 0.000 . . . . . . A 584 LYS HG3 . 34630 1 996 . 1 . 1 80 80 LYS HD2 H 1 1.739 0.000 . . . . . . A 584 LYS HD2 . 34630 1 997 . 1 . 1 80 80 LYS HD3 H 1 1.739 0.000 . . . . . . A 584 LYS HD3 . 34630 1 998 . 1 . 1 80 80 LYS HE2 H 1 3.029 0.000 . . . . . . A 584 LYS HE2 . 34630 1 999 . 1 . 1 80 80 LYS HE3 H 1 3.029 0.000 . . . . . . A 584 LYS HE3 . 34630 1 1000 . 1 . 1 80 80 LYS C C 13 178.191 0.002 . . . . . . A 584 LYS C . 34630 1 1001 . 1 . 1 80 80 LYS CA C 13 59.693 0.029 . . . . . . A 584 LYS CA . 34630 1 1002 . 1 . 1 80 80 LYS CB C 13 32.423 0.024 . . . . . . A 584 LYS CB . 34630 1 1003 . 1 . 1 80 80 LYS CG C 13 24.498 0.052 . . . . . . A 584 LYS CG . 34630 1 1004 . 1 . 1 80 80 LYS CD C 13 29.208 0.000 . . . . . . A 584 LYS CD . 34630 1 1005 . 1 . 1 80 80 LYS CE C 13 42.254 0.000 . . . . . . A 584 LYS CE . 34630 1 1006 . 1 . 1 80 80 LYS N N 15 121.214 0.038 . . . . . . A 584 LYS N . 34630 1 1007 . 1 . 1 81 81 GLU H H 1 9.155 0.001 . . . . . . A 585 GLU H . 34630 1 1008 . 1 . 1 81 81 GLU HA H 1 4.154 0.000 . . . . . . A 585 GLU HA . 34630 1 1009 . 1 . 1 81 81 GLU HB2 H 1 2.072 0.000 . . . . . . A 585 GLU HB2 . 34630 1 1010 . 1 . 1 81 81 GLU HB3 H 1 2.072 0.000 . . . . . . A 585 GLU HB3 . 34630 1 1011 . 1 . 1 81 81 GLU HG2 H 1 2.347 0.000 . . . . . . A 585 GLU HG2 . 34630 1 1012 . 1 . 1 81 81 GLU HG3 H 1 2.347 0.000 . . . . . . A 585 GLU HG3 . 34630 1 1013 . 1 . 1 81 81 GLU C C 13 176.921 0.003 . . . . . . A 585 GLU C . 34630 1 1014 . 1 . 1 81 81 GLU CA C 13 59.145 0.069 . . . . . . A 585 GLU CA . 34630 1 1015 . 1 . 1 81 81 GLU CB C 13 28.888 0.012 . . . . . . A 585 GLU CB . 34630 1 1016 . 1 . 1 81 81 GLU CG C 13 36.724 0.027 . . . . . . A 585 GLU CG . 34630 1 1017 . 1 . 1 81 81 GLU N N 15 116.970 0.024 . . . . . . A 585 GLU N . 34630 1 1018 . 1 . 1 82 82 LYS H H 1 8.035 0.002 . . . . . . A 586 LYS H . 34630 1 1019 . 1 . 1 82 82 LYS HA H 1 4.474 0.000 . . . . . . A 586 LYS HA . 34630 1 1020 . 1 . 1 82 82 LYS HB2 H 1 1.633 0.000 . . . . . . A 586 LYS HB2 . 34630 1 1021 . 1 . 1 82 82 LYS HB3 H 1 1.980 0.000 . . . . . . A 586 LYS HB3 . 34630 1 1022 . 1 . 1 82 82 LYS HG2 H 1 1.404 0.000 . . . . . . A 586 LYS HG2 . 34630 1 1023 . 1 . 1 82 82 LYS HG3 H 1 1.335 0.000 . . . . . . A 586 LYS HG3 . 34630 1 1024 . 1 . 1 82 82 LYS HD2 H 1 1.673 0.000 . . . . . . A 586 LYS HD2 . 34630 1 1025 . 1 . 1 82 82 LYS HD3 H 1 1.618 0.000 . . . . . . A 586 LYS HD3 . 34630 1 1026 . 1 . 1 82 82 LYS HE2 H 1 2.964 0.000 . . . . . . A 586 LYS HE2 . 34630 1 1027 . 1 . 1 82 82 LYS HE3 H 1 2.964 0.000 . . . . . . A 586 LYS HE3 . 34630 1 1028 . 1 . 1 82 82 LYS C C 13 176.176 0.002 . . . . . . A 586 LYS C . 34630 1 1029 . 1 . 1 82 82 LYS CA C 13 55.223 0.057 . . . . . . A 586 LYS CA . 34630 1 1030 . 1 . 1 82 82 LYS CB C 13 34.868 0.038 . . . . . . A 586 LYS CB . 34630 1 1031 . 1 . 1 82 82 LYS CG C 13 25.462 0.011 . . . . . . A 586 LYS CG . 34630 1 1032 . 1 . 1 82 82 LYS CD C 13 29.059 0.064 . . . . . . A 586 LYS CD . 34630 1 1033 . 1 . 1 82 82 LYS CE C 13 42.312 0.000 . . . . . . A 586 LYS CE . 34630 1 1034 . 1 . 1 82 82 LYS N N 15 116.780 0.015 . . . . . . A 586 LYS N . 34630 1 1035 . 1 . 1 83 83 GLN H H 1 7.281 0.002 . . . . . . A 587 GLN H . 34630 1 1036 . 1 . 1 83 83 GLN HA H 1 5.147 0.003 . . . . . . A 587 GLN HA . 34630 1 1037 . 1 . 1 83 83 GLN HB2 H 1 2.100 0.010 . . . . . . A 587 GLN HB2 . 34630 1 1038 . 1 . 1 83 83 GLN HB3 H 1 2.233 0.000 . . . . . . A 587 GLN HB3 . 34630 1 1039 . 1 . 1 83 83 GLN HG2 H 1 2.462 0.000 . . . . . . A 587 GLN HG2 . 34630 1 1040 . 1 . 1 83 83 GLN HG3 H 1 2.523 0.000 . . . . . . A 587 GLN HG3 . 34630 1 1041 . 1 . 1 83 83 GLN HE21 H 1 7.762 0.000 . . . . . . A 587 GLN HE21 . 34630 1 1042 . 1 . 1 83 83 GLN HE22 H 1 6.654 0.000 . . . . . . A 587 GLN HE22 . 34630 1 1043 . 1 . 1 83 83 GLN C C 13 178.687 0.002 . . . . . . A 587 GLN C . 34630 1 1044 . 1 . 1 83 83 GLN CA C 13 57.058 0.049 . . . . . . A 587 GLN CA . 34630 1 1045 . 1 . 1 83 83 GLN CB C 13 30.183 0.063 . . . . . . A 587 GLN CB . 34630 1 1046 . 1 . 1 83 83 GLN CG C 13 35.135 0.022 . . . . . . A 587 GLN CG . 34630 1 1047 . 1 . 1 83 83 GLN N N 15 119.126 0.039 . . . . . . A 587 GLN N . 34630 1 1048 . 1 . 1 83 83 GLN NE2 N 15 111.397 0.001 . . . . . . A 587 GLN NE2 . 34630 1 1049 . 1 . 1 84 84 CYS H H 1 9.088 0.003 . . . . . . A 588 CYS H . 34630 1 1050 . 1 . 1 84 84 CYS HA H 1 5.063 0.000 . . . . . . A 588 CYS HA . 34630 1 1051 . 1 . 1 84 84 CYS HB2 H 1 3.203 0.000 . . . . . . A 588 CYS HB2 . 34630 1 1052 . 1 . 1 84 84 CYS HB3 H 1 2.912 0.000 . . . . . . A 588 CYS HB3 . 34630 1 1053 . 1 . 1 84 84 CYS C C 13 175.530 0.006 . . . . . . A 588 CYS C . 34630 1 1054 . 1 . 1 84 84 CYS CA C 13 57.506 0.041 . . . . . . A 588 CYS CA . 34630 1 1055 . 1 . 1 84 84 CYS CB C 13 30.251 0.050 . . . . . . A 588 CYS CB . 34630 1 1056 . 1 . 1 84 84 CYS N N 15 123.090 0.019 . . . . . . A 588 CYS N . 34630 1 1057 . 1 . 1 85 85 ASN H H 1 8.506 0.002 . . . . . . A 589 ASN H . 34630 1 1058 . 1 . 1 85 85 ASN HA H 1 4.777 0.000 . . . . . . A 589 ASN HA . 34630 1 1059 . 1 . 1 85 85 ASN HB2 H 1 2.800 0.000 . . . . . . A 589 ASN HB2 . 34630 1 1060 . 1 . 1 85 85 ASN HB3 H 1 3.226 0.000 . . . . . . A 589 ASN HB3 . 34630 1 1061 . 1 . 1 85 85 ASN HD21 H 1 7.528 0.000 . . . . . . A 589 ASN HD21 . 34630 1 1062 . 1 . 1 85 85 ASN HD22 H 1 6.908 0.000 . . . . . . A 589 ASN HD22 . 34630 1 1063 . 1 . 1 85 85 ASN C C 13 175.902 0.005 . . . . . . A 589 ASN C . 34630 1 1064 . 1 . 1 85 85 ASN CA C 13 52.303 0.087 . . . . . . A 589 ASN CA . 34630 1 1065 . 1 . 1 85 85 ASN CB C 13 37.146 0.017 . . . . . . A 589 ASN CB . 34630 1 1066 . 1 . 1 85 85 ASN N N 15 117.100 0.021 . . . . . . A 589 ASN N . 34630 1 1067 . 1 . 1 85 85 ASN ND2 N 15 110.084 0.000 . . . . . . A 589 ASN ND2 . 34630 1 1068 . 1 . 1 86 86 PHE H H 1 8.010 0.001 . . . . . . A 590 PHE H . 34630 1 1069 . 1 . 1 86 86 PHE HA H 1 4.405 0.000 . . . . . . A 590 PHE HA . 34630 1 1070 . 1 . 1 86 86 PHE HB2 H 1 2.885 0.000 . . . . . . A 590 PHE HB2 . 34630 1 1071 . 1 . 1 86 86 PHE HB3 H 1 3.533 0.009 . . . . . . A 590 PHE HB3 . 34630 1 1072 . 1 . 1 86 86 PHE HD1 H 1 6.918 0.004 . . . . . . A 590 PHE HD1 . 34630 1 1073 . 1 . 1 86 86 PHE HD2 H 1 6.918 0.004 . . . . . . A 590 PHE HD2 . 34630 1 1074 . 1 . 1 86 86 PHE C C 13 173.808 0.006 . . . . . . A 590 PHE C . 34630 1 1075 . 1 . 1 86 86 PHE CA C 13 60.463 0.065 . . . . . . A 590 PHE CA . 34630 1 1076 . 1 . 1 86 86 PHE CB C 13 42.648 0.037 . . . . . . A 590 PHE CB . 34630 1 1077 . 1 . 1 86 86 PHE CD1 C 13 130.874 0.000 . . . . . . A 590 PHE CD1 . 34630 1 1078 . 1 . 1 86 86 PHE N N 15 120.220 0.047 . . . . . . A 590 PHE N . 34630 1 1079 . 1 . 1 87 87 PHE H H 1 7.433 0.002 . . . . . . A 591 PHE H . 34630 1 1080 . 1 . 1 87 87 PHE HA H 1 4.627 0.000 . . . . . . A 591 PHE HA . 34630 1 1081 . 1 . 1 87 87 PHE HB2 H 1 2.879 0.010 . . . . . . A 591 PHE HB2 . 34630 1 1082 . 1 . 1 87 87 PHE HB3 H 1 2.528 0.000 . . . . . . A 591 PHE HB3 . 34630 1 1083 . 1 . 1 87 87 PHE HD1 H 1 6.615 0.013 . . . . . . A 591 PHE HD1 . 34630 1 1084 . 1 . 1 87 87 PHE HD2 H 1 6.615 0.013 . . . . . . A 591 PHE HD2 . 34630 1 1085 . 1 . 1 87 87 PHE HE1 H 1 5.515 0.003 . . . . . . A 591 PHE HE1 . 34630 1 1086 . 1 . 1 87 87 PHE HE2 H 1 5.515 0.003 . . . . . . A 591 PHE HE2 . 34630 1 1087 . 1 . 1 87 87 PHE HZ H 1 4.528 0.000 . . . . . . A 591 PHE HZ . 34630 1 1088 . 1 . 1 87 87 PHE C C 13 174.029 0.001 . . . . . . A 591 PHE C . 34630 1 1089 . 1 . 1 87 87 PHE CA C 13 57.976 0.056 . . . . . . A 591 PHE CA . 34630 1 1090 . 1 . 1 87 87 PHE CB C 13 41.797 0.029 . . . . . . A 591 PHE CB . 34630 1 1091 . 1 . 1 87 87 PHE CD1 C 13 130.710 0.047 . . . . . . A 591 PHE CD1 . 34630 1 1092 . 1 . 1 87 87 PHE N N 15 128.152 0.030 . . . . . . A 591 PHE N . 34630 1 1093 . 1 . 1 88 88 GLN H H 1 7.232 0.002 . . . . . . A 592 GLN H . 34630 1 1094 . 1 . 1 88 88 GLN HA H 1 4.278 0.000 . . . . . . A 592 GLN HA . 34630 1 1095 . 1 . 1 88 88 GLN HB2 H 1 1.860 0.004 . . . . . . A 592 GLN HB2 . 34630 1 1096 . 1 . 1 88 88 GLN HB3 H 1 1.737 0.000 . . . . . . A 592 GLN HB3 . 34630 1 1097 . 1 . 1 88 88 GLN HG2 H 1 2.534 0.000 . . . . . . A 592 GLN HG2 . 34630 1 1098 . 1 . 1 88 88 GLN HG3 H 1 2.392 0.000 . . . . . . A 592 GLN HG3 . 34630 1 1099 . 1 . 1 88 88 GLN HE21 H 1 7.635 0.000 . . . . . . A 592 GLN HE21 . 34630 1 1100 . 1 . 1 88 88 GLN HE22 H 1 6.987 0.000 . . . . . . A 592 GLN HE22 . 34630 1 1101 . 1 . 1 88 88 GLN C C 13 174.630 0.006 . . . . . . A 592 GLN C . 34630 1 1102 . 1 . 1 88 88 GLN CA C 13 54.810 0.027 . . . . . . A 592 GLN CA . 34630 1 1103 . 1 . 1 88 88 GLN CB C 13 34.405 0.050 . . . . . . A 592 GLN CB . 34630 1 1104 . 1 . 1 88 88 GLN CG C 13 33.782 0.034 . . . . . . A 592 GLN CG . 34630 1 1105 . 1 . 1 88 88 GLN N N 15 127.039 0.028 . . . . . . A 592 GLN N . 34630 1 1106 . 1 . 1 88 88 GLN NE2 N 15 111.190 0.007 . . . . . . A 592 GLN NE2 . 34630 1 1107 . 1 . 1 89 89 TRP H H 1 8.927 0.001 . . . . . . A 593 TRP H . 34630 1 1108 . 1 . 1 89 89 TRP HA H 1 4.550 0.000 . . . . . . A 593 TRP HA . 34630 1 1109 . 1 . 1 89 89 TRP HB2 H 1 3.128 0.006 . . . . . . A 593 TRP HB2 . 34630 1 1110 . 1 . 1 89 89 TRP HB3 H 1 3.500 0.002 . . . . . . A 593 TRP HB3 . 34630 1 1111 . 1 . 1 89 89 TRP HD1 H 1 7.446 0.013 . . . . . . A 593 TRP HD1 . 34630 1 1112 . 1 . 1 89 89 TRP HE1 H 1 10.244 0.001 . . . . . . A 593 TRP HE1 . 34630 1 1113 . 1 . 1 89 89 TRP HE3 H 1 7.976 0.001 . . . . . . A 593 TRP HE3 . 34630 1 1114 . 1 . 1 89 89 TRP HZ2 H 1 7.364 0.006 . . . . . . A 593 TRP HZ2 . 34630 1 1115 . 1 . 1 89 89 TRP HZ3 H 1 6.899 0.001 . . . . . . A 593 TRP HZ3 . 34630 1 1116 . 1 . 1 89 89 TRP HH2 H 1 6.990 0.004 . . . . . . A 593 TRP HH2 . 34630 1 1117 . 1 . 1 89 89 TRP C C 13 176.788 0.004 . . . . . . A 593 TRP C . 34630 1 1118 . 1 . 1 89 89 TRP CA C 13 58.233 0.061 . . . . . . A 593 TRP CA . 34630 1 1119 . 1 . 1 89 89 TRP CB C 13 30.184 0.045 . . . . . . A 593 TRP CB . 34630 1 1120 . 1 . 1 89 89 TRP CD1 C 13 128.099 0.024 . . . . . . A 593 TRP CD1 . 34630 1 1121 . 1 . 1 89 89 TRP CE3 C 13 121.447 0.000 . . . . . . A 593 TRP CE3 . 34630 1 1122 . 1 . 1 89 89 TRP CZ2 C 13 114.983 0.000 . . . . . . A 593 TRP CZ2 . 34630 1 1123 . 1 . 1 89 89 TRP CZ3 C 13 121.526 0.039 . . . . . . A 593 TRP CZ3 . 34630 1 1124 . 1 . 1 89 89 TRP CH2 C 13 123.601 0.011 . . . . . . A 593 TRP CH2 . 34630 1 1125 . 1 . 1 89 89 TRP N N 15 127.619 0.030 . . . . . . A 593 TRP N . 34630 1 1126 . 1 . 1 89 89 TRP NE1 N 15 129.117 0.002 . . . . . . A 593 TRP NE1 . 34630 1 1127 . 1 . 1 90 90 ALA H H 1 8.493 0.002 . . . . . . A 594 ALA H . 34630 1 1128 . 1 . 1 90 90 ALA HA H 1 4.444 0.001 . . . . . . A 594 ALA HA . 34630 1 1129 . 1 . 1 90 90 ALA HB1 H 1 0.903 0.001 . . . . . . A 594 ALA HB1 . 34630 1 1130 . 1 . 1 90 90 ALA HB2 H 1 0.903 0.001 . . . . . . A 594 ALA HB2 . 34630 1 1131 . 1 . 1 90 90 ALA HB3 H 1 0.903 0.001 . . . . . . A 594 ALA HB3 . 34630 1 1132 . 1 . 1 90 90 ALA C C 13 177.437 0.003 . . . . . . A 594 ALA C . 34630 1 1133 . 1 . 1 90 90 ALA CA C 13 52.513 0.018 . . . . . . A 594 ALA CA . 34630 1 1134 . 1 . 1 90 90 ALA CB C 13 19.306 0.031 . . . . . . A 594 ALA CB . 34630 1 1135 . 1 . 1 90 90 ALA N N 15 125.801 0.030 . . . . . . A 594 ALA N . 34630 1 1136 . 1 . 1 91 91 GLU H H 1 8.609 0.001 . . . . . . A 595 GLU H . 34630 1 1137 . 1 . 1 91 91 GLU HA H 1 4.398 0.000 . . . . . . A 595 GLU HA . 34630 1 1138 . 1 . 1 91 91 GLU HB2 H 1 1.982 0.000 . . . . . . A 595 GLU HB2 . 34630 1 1139 . 1 . 1 91 91 GLU HB3 H 1 2.118 0.000 . . . . . . A 595 GLU HB3 . 34630 1 1140 . 1 . 1 91 91 GLU HG2 H 1 2.308 0.000 . . . . . . A 595 GLU HG2 . 34630 1 1141 . 1 . 1 91 91 GLU HG3 H 1 2.308 0.000 . . . . . . A 595 GLU HG3 . 34630 1 1142 . 1 . 1 91 91 GLU C C 13 176.043 0.003 . . . . . . A 595 GLU C . 34630 1 1143 . 1 . 1 91 91 GLU CA C 13 56.348 0.033 . . . . . . A 595 GLU CA . 34630 1 1144 . 1 . 1 91 91 GLU CB C 13 30.350 0.004 . . . . . . A 595 GLU CB . 34630 1 1145 . 1 . 1 91 91 GLU CG C 13 36.258 0.035 . . . . . . A 595 GLU CG . 34630 1 1146 . 1 . 1 91 91 GLU N N 15 120.071 0.011 . . . . . . A 595 GLU N . 34630 1 1147 . 1 . 1 92 92 ASN H H 1 8.552 0.001 . . . . . . A 596 ASN H . 34630 1 1148 . 1 . 1 92 92 ASN HA H 1 4.785 0.000 . . . . . . A 596 ASN HA . 34630 1 1149 . 1 . 1 92 92 ASN HB2 H 1 2.772 0.004 . . . . . . A 596 ASN HB2 . 34630 1 1150 . 1 . 1 92 92 ASN HB3 H 1 2.878 0.004 . . . . . . A 596 ASN HB3 . 34630 1 1151 . 1 . 1 92 92 ASN HD21 H 1 7.676 0.000 . . . . . . A 596 ASN HD21 . 34630 1 1152 . 1 . 1 92 92 ASN HD22 H 1 6.984 0.000 . . . . . . A 596 ASN HD22 . 34630 1 1153 . 1 . 1 92 92 ASN C C 13 174.611 0.005 . . . . . . A 596 ASN C . 34630 1 1154 . 1 . 1 92 92 ASN CA C 13 53.425 0.010 . . . . . . A 596 ASN CA . 34630 1 1155 . 1 . 1 92 92 ASN CB C 13 39.500 0.020 . . . . . . A 596 ASN CB . 34630 1 1156 . 1 . 1 92 92 ASN N N 15 120.192 0.009 . . . . . . A 596 ASN N . 34630 1 1157 . 1 . 1 92 92 ASN ND2 N 15 113.435 0.000 . . . . . . A 596 ASN ND2 . 34630 1 1158 . 1 . 1 93 93 GLY H H 1 8.051 0.001 . . . . . . A 597 GLY H . 34630 1 1159 . 1 . 1 93 93 GLY HA2 H 1 3.770 0.000 . . . . . . A 597 GLY HA2 . 34630 1 1160 . 1 . 1 93 93 GLY HA3 H 1 3.770 0.000 . . . . . . A 597 GLY HA3 . 34630 1 1161 . 1 . 1 93 93 GLY C C 13 178.967 0.000 . . . . . . A 597 GLY C . 34630 1 1162 . 1 . 1 93 93 GLY CA C 13 46.340 0.009 . . . . . . A 597 GLY CA . 34630 1 1163 . 1 . 1 93 93 GLY N N 15 115.564 0.007 . . . . . . A 597 GLY N . 34630 1 stop_ save_