data_34462 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34462 _Entry.Title ; Solution structure of the modulator of repression (MOR) of the temperate bacteriophage TP901-1 from Lactococcus lactis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-11 _Entry.Accession_date 2019-12-11 _Entry.Last_release_date 2019-12-12 _Entry.Original_release_date 2019-12-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34462 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. Rasmussen K. K. . . 34462 2 M. Blackledge M. . . . 34462 3 T. Herrmann T. . . . 34462 4 L. 'Lo Leggio' L. . . . 34462 5 M. Jensen M. R. . . 34462 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Modulator of repression' . 34462 TRANSCRIPTION . 34462 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34462 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 321 34462 '15N chemical shifts' 76 34462 '1H chemical shifts' 519 34462 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-02-17 2019-12-11 update BMRB 'update entry citation' 34462 1 . . 2020-08-03 2019-12-11 original author 'original release' 34462 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TO6 . 34462 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34462 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32788352 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Revealing the mechanism of repressor inactivation during switching of a temperate bacteriophage ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 117 _Citation.Journal_issue 34 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 20576 _Citation.Page_last 20585 _Citation.Year 2020 _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 'Kim Krighaar' Rasmussen K. K. . . 34462 1 2 Andres Palencia A. . . . 34462 1 3 Anders Varming A. K. . . 34462 1 4 Habiba El-Wali H. . . . 34462 1 5 Elisabetta 'Boeri Erba' E. . . . 34462 1 6 Martin Blackledge M. . . . 34462 1 7 Karin Hammer K. . . . 34462 1 8 Torsten Herrmann T. . . . 34462 1 9 Mogens Kilstrup M. . . . 34462 1 10 Leila 'Lo Leggio' L. . . . 34462 1 11 'Malene Ringkjobing' Jensen M. R. . . 34462 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34462 _Assembly.ID 1 _Assembly.Name MOR _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 34462 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34462 _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 ; GSMSYDYSSLLGKITEKCGT QYNFAIAMGLSERTVSLKLN DKVTWKDDEILKAVHVLELN PQDIPKYFFNAKVH ; _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 74 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8422.644 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 GLY . 34462 1 2 0 SER . 34462 1 3 1 MET . 34462 1 4 2 SER . 34462 1 5 3 TYR . 34462 1 6 4 ASP . 34462 1 7 5 TYR . 34462 1 8 6 SER . 34462 1 9 7 SER . 34462 1 10 8 LEU . 34462 1 11 9 LEU . 34462 1 12 10 GLY . 34462 1 13 11 LYS . 34462 1 14 12 ILE . 34462 1 15 13 THR . 34462 1 16 14 GLU . 34462 1 17 15 LYS . 34462 1 18 16 CYS . 34462 1 19 17 GLY . 34462 1 20 18 THR . 34462 1 21 19 GLN . 34462 1 22 20 TYR . 34462 1 23 21 ASN . 34462 1 24 22 PHE . 34462 1 25 23 ALA . 34462 1 26 24 ILE . 34462 1 27 25 ALA . 34462 1 28 26 MET . 34462 1 29 27 GLY . 34462 1 30 28 LEU . 34462 1 31 29 SER . 34462 1 32 30 GLU . 34462 1 33 31 ARG . 34462 1 34 32 THR . 34462 1 35 33 VAL . 34462 1 36 34 SER . 34462 1 37 35 LEU . 34462 1 38 36 LYS . 34462 1 39 37 LEU . 34462 1 40 38 ASN . 34462 1 41 39 ASP . 34462 1 42 40 LYS . 34462 1 43 41 VAL . 34462 1 44 42 THR . 34462 1 45 43 TRP . 34462 1 46 44 LYS . 34462 1 47 45 ASP . 34462 1 48 46 ASP . 34462 1 49 47 GLU . 34462 1 50 48 ILE . 34462 1 51 49 LEU . 34462 1 52 50 LYS . 34462 1 53 51 ALA . 34462 1 54 52 VAL . 34462 1 55 53 HIS . 34462 1 56 54 VAL . 34462 1 57 55 LEU . 34462 1 58 56 GLU . 34462 1 59 57 LEU . 34462 1 60 58 ASN . 34462 1 61 59 PRO . 34462 1 62 60 GLN . 34462 1 63 61 ASP . 34462 1 64 62 ILE . 34462 1 65 63 PRO . 34462 1 66 64 LYS . 34462 1 67 65 TYR . 34462 1 68 66 PHE . 34462 1 69 67 PHE . 34462 1 70 68 ASN . 34462 1 71 69 ALA . 34462 1 72 70 LYS . 34462 1 73 71 VAL . 34462 1 74 72 HIS . 34462 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34462 1 . SER 2 2 34462 1 . MET 3 3 34462 1 . SER 4 4 34462 1 . TYR 5 5 34462 1 . ASP 6 6 34462 1 . TYR 7 7 34462 1 . SER 8 8 34462 1 . SER 9 9 34462 1 . LEU 10 10 34462 1 . LEU 11 11 34462 1 . GLY 12 12 34462 1 . LYS 13 13 34462 1 . ILE 14 14 34462 1 . THR 15 15 34462 1 . GLU 16 16 34462 1 . LYS 17 17 34462 1 . CYS 18 18 34462 1 . GLY 19 19 34462 1 . THR 20 20 34462 1 . GLN 21 21 34462 1 . TYR 22 22 34462 1 . ASN 23 23 34462 1 . PHE 24 24 34462 1 . ALA 25 25 34462 1 . ILE 26 26 34462 1 . ALA 27 27 34462 1 . MET 28 28 34462 1 . GLY 29 29 34462 1 . LEU 30 30 34462 1 . SER 31 31 34462 1 . GLU 32 32 34462 1 . ARG 33 33 34462 1 . THR 34 34 34462 1 . VAL 35 35 34462 1 . SER 36 36 34462 1 . LEU 37 37 34462 1 . LYS 38 38 34462 1 . LEU 39 39 34462 1 . ASN 40 40 34462 1 . ASP 41 41 34462 1 . LYS 42 42 34462 1 . VAL 43 43 34462 1 . THR 44 44 34462 1 . TRP 45 45 34462 1 . LYS 46 46 34462 1 . ASP 47 47 34462 1 . ASP 48 48 34462 1 . GLU 49 49 34462 1 . ILE 50 50 34462 1 . LEU 51 51 34462 1 . LYS 52 52 34462 1 . ALA 53 53 34462 1 . VAL 54 54 34462 1 . HIS 55 55 34462 1 . VAL 56 56 34462 1 . LEU 57 57 34462 1 . GLU 58 58 34462 1 . LEU 59 59 34462 1 . ASN 60 60 34462 1 . PRO 61 61 34462 1 . GLN 62 62 34462 1 . ASP 63 63 34462 1 . ILE 64 64 34462 1 . PRO 65 65 34462 1 . LYS 66 66 34462 1 . TYR 67 67 34462 1 . PHE 68 68 34462 1 . PHE 69 69 34462 1 . ASN 70 70 34462 1 . ALA 71 71 34462 1 . LYS 72 72 34462 1 . VAL 73 73 34462 1 . HIS 74 74 34462 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 34462 _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 . 35345 organism . 'Lactococcus phage TP901-1' 'Lactococcus phage TP901-1' . . Viruses . . 'Lactococcus phage TP901-1' . . . . . . . . . . . mor . 34462 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 34462 _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' . . 562 Escherichia coli . . . . . . . . . . 34462 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34462 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '700 uM [U-13C; U-15N] MOR, 90% H2O/10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MOR '[U-13C; U-15N]' . . 1 $entity_1 . . 700 . . uM . . . . 34462 1 2 'Tris buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 34462 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 34462 1 4 'dithiothreitol (DTT)' 'natural abundance' . . . . . . 1 . . mM . . . . 34462 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 34462 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 34462 1 pH 6.5 . pH 34462 1 pressure 1 . atm 34462 1 temperature 298 . K 34462 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34462 _Software.ID 1 _Software.Type . _Software.Name UNIO _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, T. et al' . . 34462 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 34462 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34462 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34462 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34462 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34462 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34462 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34462 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34462 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34462 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34462 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 34462 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34462 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34462 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34462 _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 III' . 950 . . . 34462 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 34462 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 600 . . . 34462 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 34462 _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 HCCH-TOCSY no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34462 1 2 '[1H-1H] NOESY-15N-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34462 1 3 'aliphatic [1H-1H]-NOESY-13C-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34462 1 4 'aromatic [1H-1H]-NOESY-13C-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34462 1 5 HNCO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34462 1 6 HN(CA)CO no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34462 1 7 HN(CO)CACB no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34462 1 8 HNCACB no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34462 1 9 HSQC no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34462 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 34462 _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 water protons . . . . ppm 4.774 internal indirect 0.251449530 . . . . . 34462 1 H 1 water protons . . . . ppm 4.774 internal direct 1.000000000 . . . . . 34462 1 N 15 water protons . . . . ppm 4.774 internal indirect 0.101329118 . . . . . 34462 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 34462 _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 HCCH-TOCSY . . . 34462 1 2 '[1H-1H] NOESY-15N-HSQC' . . . 34462 1 3 'aliphatic [1H-1H]-NOESY-13C-HSQC' . . . 34462 1 4 'aromatic [1H-1H]-NOESY-13C-HSQC' . . . 34462 1 5 HNCO . . . 34462 1 6 HN(CA)CO . . . 34462 1 7 HN(CO)CACB . . . 34462 1 8 HNCACB . . . 34462 1 9 HSQC . . . 34462 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 SER HA H 1 4.510 0.00 . 1 . . . . A 0 SER HA . 34462 1 2 . 1 . 1 2 2 SER HB3 H 1 3.870 0.00 . 1 . . . . A 0 SER HB3 . 34462 1 3 . 1 . 1 2 2 SER C C 13 174.134 0.00 . 1 . . . . A 0 SER C . 34462 1 4 . 1 . 1 2 2 SER CA C 13 58.334 0.00 . 1 . . . . A 0 SER CA . 34462 1 5 . 1 . 1 2 2 SER CB C 13 63.932 0.00 . 1 . . . . A 0 SER CB . 34462 1 6 . 1 . 1 3 3 MET H H 1 8.442 0.00 . 1 . . . . A 1 MET H . 34462 1 7 . 1 . 1 3 3 MET HA H 1 4.525 0.00 . 1 . . . . A 1 MET HA . 34462 1 8 . 1 . 1 3 3 MET HB2 H 1 1.933 0.00 . 1 . . . . A 1 MET HB2 . 34462 1 9 . 1 . 1 3 3 MET HB3 H 1 1.890 0.00 . 1 . . . . A 1 MET HB3 . 34462 1 10 . 1 . 1 3 3 MET HG2 H 1 2.451 0.00 . 1 . . . . A 1 MET HG2 . 34462 1 11 . 1 . 1 3 3 MET HG3 H 1 2.468 0.00 . 1 . . . . A 1 MET HG3 . 34462 1 12 . 1 . 1 3 3 MET C C 13 175.186 0.00 . 1 . . . . A 1 MET C . 34462 1 13 . 1 . 1 3 3 MET CA C 13 54.985 0.00 . 1 . . . . A 1 MET CA . 34462 1 14 . 1 . 1 3 3 MET CB C 13 33.050 0.00 . 1 . . . . A 1 MET CB . 34462 1 15 . 1 . 1 3 3 MET CG C 13 31.875 0.00 . 1 . . . . A 1 MET CG . 34462 1 16 . 1 . 1 3 3 MET N N 15 122.150 0.00 . 1 . . . . A 1 MET N . 34462 1 17 . 1 . 1 4 4 SER H H 1 8.142 0.00 . 1 . . . . A 2 SER H . 34462 1 18 . 1 . 1 4 4 SER HA H 1 4.574 0.00 . 1 . . . . A 2 SER HA . 34462 1 19 . 1 . 1 4 4 SER HB2 H 1 3.739 0.00 . 1 . . . . A 2 SER HB2 . 34462 1 20 . 1 . 1 4 4 SER HB3 H 1 3.706 0.00 . 1 . . . . A 2 SER HB3 . 34462 1 21 . 1 . 1 4 4 SER C C 13 173.385 0.00 . 1 . . . . A 2 SER C . 34462 1 22 . 1 . 1 4 4 SER CA C 13 57.506 0.00 . 1 . . . . A 2 SER CA . 34462 1 23 . 1 . 1 4 4 SER CB C 13 64.175 0.00 . 1 . . . . A 2 SER CB . 34462 1 24 . 1 . 1 4 4 SER N N 15 117.409 0.00 . 1 . . . . A 2 SER N . 34462 1 25 . 1 . 1 5 5 TYR H H 1 8.486 0.00 . 1 . . . . A 3 TYR H . 34462 1 26 . 1 . 1 5 5 TYR HA H 1 4.631 0.00 . 1 . . . . A 3 TYR HA . 34462 1 27 . 1 . 1 5 5 TYR HB2 H 1 2.503 0.00 . 1 . . . . A 3 TYR HB2 . 34462 1 28 . 1 . 1 5 5 TYR HB3 H 1 2.494 0.00 . 1 . . . . A 3 TYR HB3 . 34462 1 29 . 1 . 1 5 5 TYR HD1 H 1 7.002 0.00 . 3 . . . . A 3 TYR HD1 . 34462 1 30 . 1 . 1 5 5 TYR HD2 H 1 7.002 0.00 . 3 . . . . A 3 TYR HD2 . 34462 1 31 . 1 . 1 5 5 TYR HE1 H 1 6.842 0.00 . 3 . . . . A 3 TYR HE1 . 34462 1 32 . 1 . 1 5 5 TYR HE2 H 1 6.842 0.00 . 3 . . . . A 3 TYR HE2 . 34462 1 33 . 1 . 1 5 5 TYR C C 13 173.914 0.00 . 1 . . . . A 3 TYR C . 34462 1 34 . 1 . 1 5 5 TYR CA C 13 57.496 0.00 . 1 . . . . A 3 TYR CA . 34462 1 35 . 1 . 1 5 5 TYR CB C 13 39.561 0.00 . 1 . . . . A 3 TYR CB . 34462 1 36 . 1 . 1 5 5 TYR CD2 C 13 133.246 0.00 . 1 . . . . A 3 TYR CD2 . 34462 1 37 . 1 . 1 5 5 TYR CE2 C 13 117.604 0.00 . 1 . . . . A 3 TYR CE2 . 34462 1 38 . 1 . 1 5 5 TYR N N 15 123.548 0.00 . 1 . . . . A 3 TYR N . 34462 1 39 . 1 . 1 6 6 ASP H H 1 8.380 0.00 . 1 . . . . A 4 ASP H . 34462 1 40 . 1 . 1 6 6 ASP HA H 1 4.621 0.00 . 1 . . . . A 4 ASP HA . 34462 1 41 . 1 . 1 6 6 ASP HB2 H 1 2.389 0.00 . 1 . . . . A 4 ASP HB2 . 34462 1 42 . 1 . 1 6 6 ASP HB3 H 1 2.736 0.00 . 1 . . . . A 4 ASP HB3 . 34462 1 43 . 1 . 1 6 6 ASP C C 13 176.877 0.00 . 1 . . . . A 4 ASP C . 34462 1 44 . 1 . 1 6 6 ASP CA C 13 52.690 0.00 . 1 . . . . A 4 ASP CA . 34462 1 45 . 1 . 1 6 6 ASP CB C 13 42.236 0.00 . 1 . . . . A 4 ASP CB . 34462 1 46 . 1 . 1 6 6 ASP N N 15 120.039 0.00 . 1 . . . . A 4 ASP N . 34462 1 47 . 1 . 1 7 7 TYR H H 1 8.849 0.00 . 1 . . . . A 5 TYR H . 34462 1 48 . 1 . 1 7 7 TYR HA H 1 5.199 0.00 . 1 . . . . A 5 TYR HA . 34462 1 49 . 1 . 1 7 7 TYR HB2 H 1 3.502 0.00 . 1 . . . . A 5 TYR HB2 . 34462 1 50 . 1 . 1 7 7 TYR HB3 H 1 2.925 0.00 . 1 . . . . A 5 TYR HB3 . 34462 1 51 . 1 . 1 7 7 TYR HD1 H 1 7.198 0.00 . 3 . . . . A 5 TYR HD1 . 34462 1 52 . 1 . 1 7 7 TYR HD2 H 1 7.198 0.00 . 3 . . . . A 5 TYR HD2 . 34462 1 53 . 1 . 1 7 7 TYR HE1 H 1 6.934 0.00 . 3 . . . . A 5 TYR HE1 . 34462 1 54 . 1 . 1 7 7 TYR HE2 H 1 6.934 0.00 . 3 . . . . A 5 TYR HE2 . 34462 1 55 . 1 . 1 7 7 TYR C C 13 175.922 0.00 . 1 . . . . A 5 TYR C . 34462 1 56 . 1 . 1 7 7 TYR CA C 13 58.163 0.00 . 1 . . . . A 5 TYR CA . 34462 1 57 . 1 . 1 7 7 TYR CB C 13 37.546 0.00 . 1 . . . . A 5 TYR CB . 34462 1 58 . 1 . 1 7 7 TYR CD2 C 13 133.078 0.00 . 1 . . . . A 5 TYR CD2 . 34462 1 59 . 1 . 1 7 7 TYR CE2 C 13 118.376 0.00 . 1 . . . . A 5 TYR CE2 . 34462 1 60 . 1 . 1 7 7 TYR N N 15 125.753 0.00 . 1 . . . . A 5 TYR N . 34462 1 61 . 1 . 1 8 8 SER H H 1 8.615 0.00 . 1 . . . . A 6 SER H . 34462 1 62 . 1 . 1 8 8 SER HA H 1 4.113 0.00 . 1 . . . . A 6 SER HA . 34462 1 63 . 1 . 1 8 8 SER HB2 H 1 3.984 0.00 . 1 . . . . A 6 SER HB2 . 34462 1 64 . 1 . 1 8 8 SER HB3 H 1 3.895 0.00 . 1 . . . . A 6 SER HB3 . 34462 1 65 . 1 . 1 8 8 SER C C 13 177.698 0.00 . 1 . . . . A 6 SER C . 34462 1 66 . 1 . 1 8 8 SER CA C 13 62.659 0.00 . 1 . . . . A 6 SER CA . 34462 1 67 . 1 . 1 8 8 SER CB C 13 62.386 0.00 . 1 . . . . A 6 SER CB . 34462 1 68 . 1 . 1 8 8 SER N N 15 117.218 0.00 . 1 . . . . A 6 SER N . 34462 1 69 . 1 . 1 9 9 SER H H 1 8.737 0.00 . 1 . . . . A 7 SER H . 34462 1 70 . 1 . 1 9 9 SER HA H 1 4.341 0.00 . 1 . . . . A 7 SER HA . 34462 1 71 . 1 . 1 9 9 SER HB2 H 1 3.648 0.00 . 1 . . . . A 7 SER HB2 . 34462 1 72 . 1 . 1 9 9 SER HB3 H 1 3.809 0.00 . 1 . . . . A 7 SER HB3 . 34462 1 73 . 1 . 1 9 9 SER C C 13 176.944 0.00 . 1 . . . . A 7 SER C . 34462 1 74 . 1 . 1 9 9 SER CA C 13 61.849 0.00 . 1 . . . . A 7 SER CA . 34462 1 75 . 1 . 1 9 9 SER CB C 13 62.093 0.00 . 1 . . . . A 7 SER CB . 34462 1 76 . 1 . 1 9 9 SER N N 15 119.840 0.00 . 1 . . . . A 7 SER N . 34462 1 77 . 1 . 1 10 10 LEU H H 1 8.712 0.00 . 1 . . . . A 8 LEU H . 34462 1 78 . 1 . 1 10 10 LEU HA H 1 3.885 0.00 . 1 . . . . A 8 LEU HA . 34462 1 79 . 1 . 1 10 10 LEU HB2 H 1 1.390 0.00 . 1 . . . . A 8 LEU HB2 . 34462 1 80 . 1 . 1 10 10 LEU HB3 H 1 1.960 0.00 . 1 . . . . A 8 LEU HB3 . 34462 1 81 . 1 . 1 10 10 LEU HG H 1 1.181 0.00 . 1 . . . . A 8 LEU HG . 34462 1 82 . 1 . 1 10 10 LEU HD11 H 1 0.177 0.00 . 1 . . . . A 8 LEU HD11 . 34462 1 83 . 1 . 1 10 10 LEU HD12 H 1 0.177 0.00 . 1 . . . . A 8 LEU HD12 . 34462 1 84 . 1 . 1 10 10 LEU HD13 H 1 0.177 0.00 . 1 . . . . A 8 LEU HD13 . 34462 1 85 . 1 . 1 10 10 LEU HD21 H 1 0.211 0.00 . 1 . . . . A 8 LEU HD21 . 34462 1 86 . 1 . 1 10 10 LEU HD22 H 1 0.211 0.00 . 1 . . . . A 8 LEU HD22 . 34462 1 87 . 1 . 1 10 10 LEU HD23 H 1 0.211 0.00 . 1 . . . . A 8 LEU HD23 . 34462 1 88 . 1 . 1 10 10 LEU C C 13 177.687 0.00 . 1 . . . . A 8 LEU C . 34462 1 89 . 1 . 1 10 10 LEU CA C 13 58.146 0.00 . 1 . . . . A 8 LEU CA . 34462 1 90 . 1 . 1 10 10 LEU CB C 13 41.107 0.00 . 1 . . . . A 8 LEU CB . 34462 1 91 . 1 . 1 10 10 LEU CG C 13 26.726 0.00 . 1 . . . . A 8 LEU CG . 34462 1 92 . 1 . 1 10 10 LEU CD1 C 13 22.758 0.00 . 1 . . . . A 8 LEU CD1 . 34462 1 93 . 1 . 1 10 10 LEU CD2 C 13 22.758 0.00 . 1 . . . . A 8 LEU CD2 . 34462 1 94 . 1 . 1 10 10 LEU N N 15 126.700 0.00 . 1 . . . . A 8 LEU N . 34462 1 95 . 1 . 1 11 11 LEU H H 1 8.854 0.00 . 1 . . . . A 9 LEU H . 34462 1 96 . 1 . 1 11 11 LEU HA H 1 3.873 0.00 . 1 . . . . A 9 LEU HA . 34462 1 97 . 1 . 1 11 11 LEU HB2 H 1 1.656 0.00 . 1 . . . . A 9 LEU HB2 . 34462 1 98 . 1 . 1 11 11 LEU HB3 H 1 1.766 0.00 . 1 . . . . A 9 LEU HB3 . 34462 1 99 . 1 . 1 11 11 LEU HG H 1 1.682 0.00 . 1 . . . . A 9 LEU HG . 34462 1 100 . 1 . 1 11 11 LEU HD11 H 1 0.809 0.00 . 1 . . . . A 9 LEU HD11 . 34462 1 101 . 1 . 1 11 11 LEU HD12 H 1 0.809 0.00 . 1 . . . . A 9 LEU HD12 . 34462 1 102 . 1 . 1 11 11 LEU HD13 H 1 0.809 0.00 . 1 . . . . A 9 LEU HD13 . 34462 1 103 . 1 . 1 11 11 LEU HD21 H 1 0.891 0.00 . 1 . . . . A 9 LEU HD21 . 34462 1 104 . 1 . 1 11 11 LEU HD22 H 1 0.891 0.00 . 1 . . . . A 9 LEU HD22 . 34462 1 105 . 1 . 1 11 11 LEU HD23 H 1 0.891 0.00 . 1 . . . . A 9 LEU HD23 . 34462 1 106 . 1 . 1 11 11 LEU C C 13 179.809 0.00 . 1 . . . . A 9 LEU C . 34462 1 107 . 1 . 1 11 11 LEU CA C 13 58.313 0.00 . 1 . . . . A 9 LEU CA . 34462 1 108 . 1 . 1 11 11 LEU CB C 13 41.159 0.00 . 1 . . . . A 9 LEU CB . 34462 1 109 . 1 . 1 11 11 LEU CG C 13 27.238 0.00 . 1 . . . . A 9 LEU CG . 34462 1 110 . 1 . 1 11 11 LEU CD2 C 13 24.434 0.00 . 1 . . . . A 9 LEU CD2 . 34462 1 111 . 1 . 1 11 11 LEU N N 15 119.469 0.00 . 1 . . . . A 9 LEU N . 34462 1 112 . 1 . 1 12 12 GLY H H 1 7.978 0.00 . 1 . . . . A 10 GLY H . 34462 1 113 . 1 . 1 12 12 GLY HA2 H 1 3.879 0.00 . 1 . . . . A 10 GLY HA2 . 34462 1 114 . 1 . 1 12 12 GLY HA3 H 1 3.951 0.00 . 1 . . . . A 10 GLY HA3 . 34462 1 115 . 1 . 1 12 12 GLY C C 13 176.188 0.00 . 1 . . . . A 10 GLY C . 34462 1 116 . 1 . 1 12 12 GLY CA C 13 47.189 0.00 . 1 . . . . A 10 GLY CA . 34462 1 117 . 1 . 1 12 12 GLY N N 15 106.183 0.00 . 1 . . . . A 10 GLY N . 34462 1 118 . 1 . 1 13 13 LYS H H 1 7.734 0.00 . 1 . . . . A 11 LYS H . 34462 1 119 . 1 . 1 13 13 LYS HA H 1 4.252 0.00 . 1 . . . . A 11 LYS HA . 34462 1 120 . 1 . 1 13 13 LYS HB2 H 1 1.734 0.00 . 1 . . . . A 11 LYS HB2 . 34462 1 121 . 1 . 1 13 13 LYS HB3 H 1 1.955 0.00 . 1 . . . . A 11 LYS HB3 . 34462 1 122 . 1 . 1 13 13 LYS HG2 H 1 1.295 0.00 . 1 . . . . A 11 LYS HG2 . 34462 1 123 . 1 . 1 13 13 LYS HG3 H 1 1.312 0.00 . 1 . . . . A 11 LYS HG3 . 34462 1 124 . 1 . 1 13 13 LYS HD2 H 1 1.609 0.00 . 1 . . . . A 11 LYS HD2 . 34462 1 125 . 1 . 1 13 13 LYS HD3 H 1 1.809 0.00 . 1 . . . . A 11 LYS HD3 . 34462 1 126 . 1 . 1 13 13 LYS HE2 H 1 2.758 0.00 . 1 . . . . A 11 LYS HE2 . 34462 1 127 . 1 . 1 13 13 LYS HE3 H 1 2.901 0.00 . 1 . . . . A 11 LYS HE3 . 34462 1 128 . 1 . 1 13 13 LYS C C 13 177.991 0.00 . 1 . . . . A 11 LYS C . 34462 1 129 . 1 . 1 13 13 LYS CA C 13 56.659 0.00 . 1 . . . . A 11 LYS CA . 34462 1 130 . 1 . 1 13 13 LYS CB C 13 31.109 0.00 . 1 . . . . A 11 LYS CB . 34462 1 131 . 1 . 1 13 13 LYS CG C 13 24.783 0.00 . 1 . . . . A 11 LYS CG . 34462 1 132 . 1 . 1 13 13 LYS CD C 13 27.131 0.00 . 1 . . . . A 11 LYS CD . 34462 1 133 . 1 . 1 13 13 LYS CE C 13 41.584 0.00 . 1 . . . . A 11 LYS CE . 34462 1 134 . 1 . 1 13 13 LYS N N 15 123.396 0.00 . 1 . . . . A 11 LYS N . 34462 1 135 . 1 . 1 14 14 ILE H H 1 8.558 0.00 . 1 . . . . A 12 ILE H . 34462 1 136 . 1 . 1 14 14 ILE HA H 1 3.190 0.00 . 1 . . . . A 12 ILE HA . 34462 1 137 . 1 . 1 14 14 ILE HB H 1 1.759 0.00 . 1 . . . . A 12 ILE HB . 34462 1 138 . 1 . 1 14 14 ILE HG12 H 1 -0.451 0.00 . 1 . . . . A 12 ILE HG12 . 34462 1 139 . 1 . 1 14 14 ILE HG13 H 1 1.281 0.00 . 1 . . . . A 12 ILE HG13 . 34462 1 140 . 1 . 1 14 14 ILE HG21 H 1 0.426 0.00 . 1 . . . . A 12 ILE HG21 . 34462 1 141 . 1 . 1 14 14 ILE HG22 H 1 0.426 0.00 . 1 . . . . A 12 ILE HG22 . 34462 1 142 . 1 . 1 14 14 ILE HG23 H 1 0.426 0.00 . 1 . . . . A 12 ILE HG23 . 34462 1 143 . 1 . 1 14 14 ILE HD11 H 1 0.163 0.00 . 1 . . . . A 12 ILE HD11 . 34462 1 144 . 1 . 1 14 14 ILE HD12 H 1 0.163 0.00 . 1 . . . . A 12 ILE HD12 . 34462 1 145 . 1 . 1 14 14 ILE HD13 H 1 0.163 0.00 . 1 . . . . A 12 ILE HD13 . 34462 1 146 . 1 . 1 14 14 ILE C C 13 178.066 0.00 . 1 . . . . A 12 ILE C . 34462 1 147 . 1 . 1 14 14 ILE CA C 13 66.044 0.00 . 1 . . . . A 12 ILE CA . 34462 1 148 . 1 . 1 14 14 ILE CB C 13 37.513 0.00 . 1 . . . . A 12 ILE CB . 34462 1 149 . 1 . 1 14 14 ILE CG1 C 13 29.741 0.00 . 1 . . . . A 12 ILE CG1 . 34462 1 150 . 1 . 1 14 14 ILE CG2 C 13 16.803 0.00 . 1 . . . . A 12 ILE CG2 . 34462 1 151 . 1 . 1 14 14 ILE CD1 C 13 15.199 0.00 . 1 . . . . A 12 ILE CD1 . 34462 1 152 . 1 . 1 14 14 ILE N N 15 120.992 0.00 . 1 . . . . A 12 ILE N . 34462 1 153 . 1 . 1 15 15 THR H H 1 8.097 0.00 . 1 . . . . A 13 THR H . 34462 1 154 . 1 . 1 15 15 THR HA H 1 3.586 0.00 . 1 . . . . A 13 THR HA . 34462 1 155 . 1 . 1 15 15 THR HB H 1 4.241 0.00 . 1 . . . . A 13 THR HB . 34462 1 156 . 1 . 1 15 15 THR HG1 H 1 4.756 0.00 . 1 . . . . A 13 THR HG1 . 34462 1 157 . 1 . 1 15 15 THR HG21 H 1 1.244 0.00 . 1 . . . . A 13 THR HG21 . 34462 1 158 . 1 . 1 15 15 THR HG22 H 1 1.244 0.00 . 1 . . . . A 13 THR HG22 . 34462 1 159 . 1 . 1 15 15 THR HG23 H 1 1.244 0.00 . 1 . . . . A 13 THR HG23 . 34462 1 160 . 1 . 1 15 15 THR C C 13 176.496 0.00 . 1 . . . . A 13 THR C . 34462 1 161 . 1 . 1 15 15 THR CA C 13 66.673 0.00 . 1 . . . . A 13 THR CA . 34462 1 162 . 1 . 1 15 15 THR CB C 13 68.443 0.00 . 1 . . . . A 13 THR CB . 34462 1 163 . 1 . 1 15 15 THR CG2 C 13 21.509 0.00 . 1 . . . . A 13 THR CG2 . 34462 1 164 . 1 . 1 15 15 THR N N 15 116.439 0.00 . 1 . . . . A 13 THR N . 34462 1 165 . 1 . 1 16 16 GLU H H 1 7.959 0.00 . 1 . . . . A 14 GLU H . 34462 1 166 . 1 . 1 16 16 GLU HA H 1 3.946 0.00 . 1 . . . . A 14 GLU HA . 34462 1 167 . 1 . 1 16 16 GLU HB3 H 1 2.187 0.00 . 1 . . . . A 14 GLU HB3 . 34462 1 168 . 1 . 1 16 16 GLU HG2 H 1 2.389 0.00 . 1 . . . . A 14 GLU HG2 . 34462 1 169 . 1 . 1 16 16 GLU HG3 H 1 2.017 0.00 . 1 . . . . A 14 GLU HG3 . 34462 1 170 . 1 . 1 16 16 GLU C C 13 178.028 0.00 . 1 . . . . A 14 GLU C . 34462 1 171 . 1 . 1 16 16 GLU CA C 13 59.533 0.00 . 1 . . . . A 14 GLU CA . 34462 1 172 . 1 . 1 16 16 GLU CB C 13 30.740 0.00 . 1 . . . . A 14 GLU CB . 34462 1 173 . 1 . 1 16 16 GLU CG C 13 35.621 0.00 . 1 . . . . A 14 GLU CG . 34462 1 174 . 1 . 1 16 16 GLU N N 15 121.777 0.00 . 1 . . . . A 14 GLU N . 34462 1 175 . 1 . 1 17 17 LYS H H 1 8.379 0.00 . 1 . . . . A 15 LYS H . 34462 1 176 . 1 . 1 17 17 LYS HA H 1 4.395 0.00 . 1 . . . . A 15 LYS HA . 34462 1 177 . 1 . 1 17 17 LYS HB2 H 1 2.004 0.00 . 1 . . . . A 15 LYS HB2 . 34462 1 178 . 1 . 1 17 17 LYS HB3 H 1 1.949 0.00 . 1 . . . . A 15 LYS HB3 . 34462 1 179 . 1 . 1 17 17 LYS HG2 H 1 1.528 0.00 . 1 . . . . A 15 LYS HG2 . 34462 1 180 . 1 . 1 17 17 LYS HG3 H 1 1.379 0.00 . 1 . . . . A 15 LYS HG3 . 34462 1 181 . 1 . 1 17 17 LYS HD2 H 1 1.643 0.00 . 1 . . . . A 15 LYS HD2 . 34462 1 182 . 1 . 1 17 17 LYS HD3 H 1 1.604 0.00 . 1 . . . . A 15 LYS HD3 . 34462 1 183 . 1 . 1 17 17 LYS HE2 H 1 2.803 0.00 . 1 . . . . A 15 LYS HE2 . 34462 1 184 . 1 . 1 17 17 LYS HE3 H 1 3.012 0.00 . 1 . . . . A 15 LYS HE3 . 34462 1 185 . 1 . 1 17 17 LYS C C 13 178.562 0.00 . 1 . . . . A 15 LYS C . 34462 1 186 . 1 . 1 17 17 LYS CA C 13 56.118 0.00 . 1 . . . . A 15 LYS CA . 34462 1 187 . 1 . 1 17 17 LYS CB C 13 32.814 0.00 . 1 . . . . A 15 LYS CB . 34462 1 188 . 1 . 1 17 17 LYS CG C 13 24.632 0.00 . 1 . . . . A 15 LYS CG . 34462 1 189 . 1 . 1 17 17 LYS CD C 13 27.680 0.00 . 1 . . . . A 15 LYS CD . 34462 1 190 . 1 . 1 17 17 LYS CE C 13 41.832 0.00 . 1 . . . . A 15 LYS CE . 34462 1 191 . 1 . 1 17 17 LYS N N 15 114.075 0.00 . 1 . . . . A 15 LYS N . 34462 1 192 . 1 . 1 18 18 CYS H H 1 8.504 0.00 . 1 . . . . A 16 CYS H . 34462 1 193 . 1 . 1 18 18 CYS HA H 1 4.729 0.00 . 1 . . . . A 16 CYS HA . 34462 1 194 . 1 . 1 18 18 CYS HB2 H 1 2.779 0.00 . 1 . . . . A 16 CYS HB2 . 34462 1 195 . 1 . 1 18 18 CYS HB3 H 1 3.308 0.00 . 1 . . . . A 16 CYS HB3 . 34462 1 196 . 1 . 1 18 18 CYS HG H 1 2.229 0.00 . 1 . . . . A 16 CYS HG . 34462 1 197 . 1 . 1 18 18 CYS C C 13 175.647 0.00 . 1 . . . . A 16 CYS C . 34462 1 198 . 1 . 1 18 18 CYS CA C 13 58.456 0.00 . 1 . . . . A 16 CYS CA . 34462 1 199 . 1 . 1 18 18 CYS CB C 13 30.368 0.00 . 1 . . . . A 16 CYS CB . 34462 1 200 . 1 . 1 18 18 CYS N N 15 114.180 0.00 . 1 . . . . A 16 CYS N . 34462 1 201 . 1 . 1 19 19 GLY H H 1 7.988 0.00 . 1 . . . . A 17 GLY H . 34462 1 202 . 1 . 1 19 19 GLY HA2 H 1 3.809 0.00 . 1 . . . . A 17 GLY HA2 . 34462 1 203 . 1 . 1 19 19 GLY HA3 H 1 4.737 0.00 . 1 . . . . A 17 GLY HA3 . 34462 1 204 . 1 . 1 19 19 GLY C C 13 174.840 0.00 . 1 . . . . A 17 GLY C . 34462 1 205 . 1 . 1 19 19 GLY CA C 13 47.075 0.00 . 1 . . . . A 17 GLY CA . 34462 1 206 . 1 . 1 19 19 GLY N N 15 114.098 0.00 . 1 . . . . A 17 GLY N . 34462 1 207 . 1 . 1 20 20 THR H H 1 7.786 0.00 . 1 . . . . A 18 THR H . 34462 1 208 . 1 . 1 20 20 THR HA H 1 4.741 0.00 . 1 . . . . A 18 THR HA . 34462 1 209 . 1 . 1 20 20 THR HB H 1 4.669 0.00 . 1 . . . . A 18 THR HB . 34462 1 210 . 1 . 1 20 20 THR HG1 H 1 5.456 0.00 . 1 . . . . A 18 THR HG1 . 34462 1 211 . 1 . 1 20 20 THR HG21 H 1 1.299 0.00 . 1 . . . . A 18 THR HG21 . 34462 1 212 . 1 . 1 20 20 THR HG22 H 1 1.299 0.00 . 1 . . . . A 18 THR HG22 . 34462 1 213 . 1 . 1 20 20 THR HG23 H 1 1.299 0.00 . 1 . . . . A 18 THR HG23 . 34462 1 214 . 1 . 1 20 20 THR C C 13 174.490 0.00 . 1 . . . . A 18 THR C . 34462 1 215 . 1 . 1 20 20 THR CA C 13 58.703 0.00 . 1 . . . . A 18 THR CA . 34462 1 216 . 1 . 1 20 20 THR CB C 13 73.254 0.00 . 1 . . . . A 18 THR CB . 34462 1 217 . 1 . 1 20 20 THR CG2 C 13 21.795 0.00 . 1 . . . . A 18 THR CG2 . 34462 1 218 . 1 . 1 20 20 THR N N 15 109.633 0.00 . 1 . . . . A 18 THR N . 34462 1 219 . 1 . 1 21 21 GLN H H 1 9.090 0.00 . 1 . . . . A 19 GLN H . 34462 1 220 . 1 . 1 21 21 GLN HA H 1 3.899 0.00 . 1 . . . . A 19 GLN HA . 34462 1 221 . 1 . 1 21 21 GLN HB2 H 1 2.208 0.00 . 1 . . . . A 19 GLN HB2 . 34462 1 222 . 1 . 1 21 21 GLN HB3 H 1 2.097 0.00 . 1 . . . . A 19 GLN HB3 . 34462 1 223 . 1 . 1 21 21 GLN HG2 H 1 2.112 0.00 . 1 . . . . A 19 GLN HG2 . 34462 1 224 . 1 . 1 21 21 GLN HG3 H 1 2.398 0.00 . 1 . . . . A 19 GLN HG3 . 34462 1 225 . 1 . 1 21 21 GLN HE21 H 1 7.536 0.00 . 1 . . . . A 19 GLN HE21 . 34462 1 226 . 1 . 1 21 21 GLN HE22 H 1 6.684 0.00 . 1 . . . . A 19 GLN HE22 . 34462 1 227 . 1 . 1 21 21 GLN C C 13 177.786 0.00 . 1 . . . . A 19 GLN C . 34462 1 228 . 1 . 1 21 21 GLN CA C 13 59.747 0.00 . 1 . . . . A 19 GLN CA . 34462 1 229 . 1 . 1 21 21 GLN CB C 13 28.557 0.00 . 1 . . . . A 19 GLN CB . 34462 1 230 . 1 . 1 21 21 GLN CG C 13 35.322 0.00 . 1 . . . . A 19 GLN CG . 34462 1 231 . 1 . 1 21 21 GLN N N 15 120.592 0.00 . 1 . . . . A 19 GLN N . 34462 1 232 . 1 . 1 21 21 GLN NE2 N 15 110.097 0.00 . 1 . . . . A 19 GLN NE2 . 34462 1 233 . 1 . 1 22 22 TYR H H 1 8.376 0.00 . 1 . . . . A 20 TYR H . 34462 1 234 . 1 . 1 22 22 TYR HA H 1 3.985 0.00 . 1 . . . . A 20 TYR HA . 34462 1 235 . 1 . 1 22 22 TYR HB2 H 1 3.240 0.00 . 1 . . . . A 20 TYR HB2 . 34462 1 236 . 1 . 1 22 22 TYR HB3 H 1 2.855 0.00 . 1 . . . . A 20 TYR HB3 . 34462 1 237 . 1 . 1 22 22 TYR HD1 H 1 7.157 0.00 . 3 . . . . A 20 TYR HD1 . 34462 1 238 . 1 . 1 22 22 TYR HD2 H 1 7.157 0.00 . 3 . . . . A 20 TYR HD2 . 34462 1 239 . 1 . 1 22 22 TYR HE1 H 1 6.843 0.00 . 3 . . . . A 20 TYR HE1 . 34462 1 240 . 1 . 1 22 22 TYR HE2 H 1 6.843 0.00 . 3 . . . . A 20 TYR HE2 . 34462 1 241 . 1 . 1 22 22 TYR C C 13 176.065 0.00 . 1 . . . . A 20 TYR C . 34462 1 242 . 1 . 1 22 22 TYR CA C 13 61.881 0.00 . 1 . . . . A 20 TYR CA . 34462 1 243 . 1 . 1 22 22 TYR CB C 13 38.080 0.00 . 1 . . . . A 20 TYR CB . 34462 1 244 . 1 . 1 22 22 TYR CD2 C 13 133.301 0.00 . 1 . . . . A 20 TYR CD2 . 34462 1 245 . 1 . 1 22 22 TYR CE2 C 13 118.222 0.00 . 1 . . . . A 20 TYR CE2 . 34462 1 246 . 1 . 1 22 22 TYR N N 15 120.604 0.00 . 1 . . . . A 20 TYR N . 34462 1 247 . 1 . 1 23 23 ASN H H 1 7.930 0.00 . 1 . . . . A 21 ASN H . 34462 1 248 . 1 . 1 23 23 ASN HA H 1 4.343 0.00 . 1 . . . . A 21 ASN HA . 34462 1 249 . 1 . 1 23 23 ASN HB2 H 1 2.977 0.00 . 1 . . . . A 21 ASN HB2 . 34462 1 250 . 1 . 1 23 23 ASN HB3 H 1 3.189 0.00 . 1 . . . . A 21 ASN HB3 . 34462 1 251 . 1 . 1 23 23 ASN HD21 H 1 7.042 0.00 . 1 . . . . A 21 ASN HD21 . 34462 1 252 . 1 . 1 23 23 ASN HD22 H 1 7.753 0.00 . 1 . . . . A 21 ASN HD22 . 34462 1 253 . 1 . 1 23 23 ASN C C 13 179.196 0.00 . 1 . . . . A 21 ASN C . 34462 1 254 . 1 . 1 23 23 ASN CA C 13 55.456 0.00 . 1 . . . . A 21 ASN CA . 34462 1 255 . 1 . 1 23 23 ASN CB C 13 37.583 0.00 . 1 . . . . A 21 ASN CB . 34462 1 256 . 1 . 1 23 23 ASN N N 15 117.983 0.00 . 1 . . . . A 21 ASN N . 34462 1 257 . 1 . 1 23 23 ASN ND2 N 15 110.477 0.00 . 1 . . . . A 21 ASN ND2 . 34462 1 258 . 1 . 1 24 24 PHE H H 1 7.810 0.00 . 1 . . . . A 22 PHE H . 34462 1 259 . 1 . 1 24 24 PHE HA H 1 4.494 0.00 . 1 . . . . A 22 PHE HA . 34462 1 260 . 1 . 1 24 24 PHE HB2 H 1 3.234 0.00 . 1 . . . . A 22 PHE HB2 . 34462 1 261 . 1 . 1 24 24 PHE HB3 H 1 3.165 0.00 . 1 . . . . A 22 PHE HB3 . 34462 1 262 . 1 . 1 24 24 PHE HD1 H 1 7.208 0.00 . 1 . . . . A 22 PHE HD1 . 34462 1 263 . 1 . 1 24 24 PHE HD2 H 1 7.330 0.00 . 1 . . . . A 22 PHE HD2 . 34462 1 264 . 1 . 1 24 24 PHE HE1 H 1 7.208 0.00 . 3 . . . . A 22 PHE HE1 . 34462 1 265 . 1 . 1 24 24 PHE HE2 H 1 7.208 0.00 . 3 . . . . A 22 PHE HE2 . 34462 1 266 . 1 . 1 24 24 PHE HZ H 1 7.208 0.00 . 1 . . . . A 22 PHE HZ . 34462 1 267 . 1 . 1 24 24 PHE C C 13 175.266 0.00 . 1 . . . . A 22 PHE C . 34462 1 268 . 1 . 1 24 24 PHE CA C 13 60.721 0.00 . 1 . . . . A 22 PHE CA . 34462 1 269 . 1 . 1 24 24 PHE CB C 13 39.760 0.00 . 1 . . . . A 22 PHE CB . 34462 1 270 . 1 . 1 24 24 PHE CD2 C 13 132.130 0.00 . 1 . . . . A 22 PHE CD2 . 34462 1 271 . 1 . 1 24 24 PHE CE2 C 13 130.667 0.00 . 1 . . . . A 22 PHE CE2 . 34462 1 272 . 1 . 1 24 24 PHE CZ C 13 129.226 0.00 . 1 . . . . A 22 PHE CZ . 34462 1 273 . 1 . 1 24 24 PHE N N 15 121.779 0.00 . 1 . . . . A 22 PHE N . 34462 1 274 . 1 . 1 25 25 ALA H H 1 8.566 0.00 . 1 . . . . A 23 ALA H . 34462 1 275 . 1 . 1 25 25 ALA HA H 1 3.415 0.00 . 1 . . . . A 23 ALA HA . 34462 1 276 . 1 . 1 25 25 ALA HB1 H 1 1.368 0.00 . 1 . . . . A 23 ALA HB1 . 34462 1 277 . 1 . 1 25 25 ALA HB2 H 1 1.368 0.00 . 1 . . . . A 23 ALA HB2 . 34462 1 278 . 1 . 1 25 25 ALA HB3 H 1 1.368 0.00 . 1 . . . . A 23 ALA HB3 . 34462 1 279 . 1 . 1 25 25 ALA C C 13 179.060 0.00 . 1 . . . . A 23 ALA C . 34462 1 280 . 1 . 1 25 25 ALA CA C 13 56.188 0.00 . 1 . . . . A 23 ALA CA . 34462 1 281 . 1 . 1 25 25 ALA CB C 13 16.535 0.00 . 1 . . . . A 23 ALA CB . 34462 1 282 . 1 . 1 25 25 ALA N N 15 122.740 0.00 . 1 . . . . A 23 ALA N . 34462 1 283 . 1 . 1 26 26 ILE H H 1 7.776 0.00 . 1 . . . . A 24 ILE H . 34462 1 284 . 1 . 1 26 26 ILE HA H 1 3.687 0.00 . 1 . . . . A 24 ILE HA . 34462 1 285 . 1 . 1 26 26 ILE HB H 1 1.879 0.00 . 1 . . . . A 24 ILE HB . 34462 1 286 . 1 . 1 26 26 ILE HG12 H 1 1.023 0.00 . 1 . . . . A 24 ILE HG12 . 34462 1 287 . 1 . 1 26 26 ILE HG13 H 1 1.235 0.00 . 1 . . . . A 24 ILE HG13 . 34462 1 288 . 1 . 1 26 26 ILE HG21 H 1 0.812 0.00 . 1 . . . . A 24 ILE HG21 . 34462 1 289 . 1 . 1 26 26 ILE HG22 H 1 0.812 0.00 . 1 . . . . A 24 ILE HG22 . 34462 1 290 . 1 . 1 26 26 ILE HG23 H 1 0.812 0.00 . 1 . . . . A 24 ILE HG23 . 34462 1 291 . 1 . 1 26 26 ILE HD11 H 1 0.608 0.00 . 1 . . . . A 24 ILE HD11 . 34462 1 292 . 1 . 1 26 26 ILE HD12 H 1 0.608 0.00 . 1 . . . . A 24 ILE HD12 . 34462 1 293 . 1 . 1 26 26 ILE HD13 H 1 0.608 0.00 . 1 . . . . A 24 ILE HD13 . 34462 1 294 . 1 . 1 26 26 ILE C C 13 180.330 0.00 . 1 . . . . A 24 ILE C . 34462 1 295 . 1 . 1 26 26 ILE CA C 13 63.318 0.00 . 1 . . . . A 24 ILE CA . 34462 1 296 . 1 . 1 26 26 ILE CB C 13 36.643 0.00 . 1 . . . . A 24 ILE CB . 34462 1 297 . 1 . 1 26 26 ILE CG1 C 13 27.605 0.00 . 1 . . . . A 24 ILE CG1 . 34462 1 298 . 1 . 1 26 26 ILE CG2 C 13 16.981 0.00 . 1 . . . . A 24 ILE CG2 . 34462 1 299 . 1 . 1 26 26 ILE CD1 C 13 10.898 0.00 . 1 . . . . A 24 ILE CD1 . 34462 1 300 . 1 . 1 26 26 ILE N N 15 116.438 0.00 . 1 . . . . A 24 ILE N . 34462 1 301 . 1 . 1 27 27 ALA H H 1 7.707 0.00 . 1 . . . . A 25 ALA H . 34462 1 302 . 1 . 1 27 27 ALA HA H 1 4.059 0.00 . 1 . . . . A 25 ALA HA . 34462 1 303 . 1 . 1 27 27 ALA HB1 H 1 1.484 0.00 . 1 . . . . A 25 ALA HB1 . 34462 1 304 . 1 . 1 27 27 ALA HB2 H 1 1.484 0.00 . 1 . . . . A 25 ALA HB2 . 34462 1 305 . 1 . 1 27 27 ALA HB3 H 1 1.484 0.00 . 1 . . . . A 25 ALA HB3 . 34462 1 306 . 1 . 1 27 27 ALA C C 13 179.417 0.00 . 1 . . . . A 25 ALA C . 34462 1 307 . 1 . 1 27 27 ALA CA C 13 54.708 0.00 . 1 . . . . A 25 ALA CA . 34462 1 308 . 1 . 1 27 27 ALA CB C 13 18.413 0.00 . 1 . . . . A 25 ALA CB . 34462 1 309 . 1 . 1 27 27 ALA N N 15 123.603 0.00 . 1 . . . . A 25 ALA N . 34462 1 310 . 1 . 1 28 28 MET H H 1 7.863 0.00 . 1 . . . . A 26 MET H . 34462 1 311 . 1 . 1 28 28 MET HA H 1 4.179 0.00 . 1 . . . . A 26 MET HA . 34462 1 312 . 1 . 1 28 28 MET HB2 H 1 1.716 0.00 . 1 . . . . A 26 MET HB2 . 34462 1 313 . 1 . 1 28 28 MET HB3 H 1 1.797 0.00 . 1 . . . . A 26 MET HB3 . 34462 1 314 . 1 . 1 28 28 MET HG2 H 1 1.059 0.00 . 1 . . . . A 26 MET HG2 . 34462 1 315 . 1 . 1 28 28 MET HG3 H 1 1.518 0.00 . 1 . . . . A 26 MET HG3 . 34462 1 316 . 1 . 1 28 28 MET HE1 H 1 2.181 0.00 . 1 . . . . A 26 MET HE1 . 34462 1 317 . 1 . 1 28 28 MET HE2 H 1 2.181 0.00 . 1 . . . . A 26 MET HE2 . 34462 1 318 . 1 . 1 28 28 MET HE3 H 1 2.181 0.00 . 1 . . . . A 26 MET HE3 . 34462 1 319 . 1 . 1 28 28 MET C C 13 177.033 0.00 . 1 . . . . A 26 MET C . 34462 1 320 . 1 . 1 28 28 MET CA C 13 54.228 0.00 . 1 . . . . A 26 MET CA . 34462 1 321 . 1 . 1 28 28 MET CB C 13 31.594 0.00 . 1 . . . . A 26 MET CB . 34462 1 322 . 1 . 1 28 28 MET CG C 13 32.721 0.00 . 1 . . . . A 26 MET CG . 34462 1 323 . 1 . 1 28 28 MET CE C 13 16.524 0.00 . 1 . . . . A 26 MET CE . 34462 1 324 . 1 . 1 28 28 MET N N 15 114.128 0.00 . 1 . . . . A 26 MET N . 34462 1 325 . 1 . 1 29 29 GLY H H 1 7.962 0.00 . 1 . . . . A 27 GLY H . 34462 1 326 . 1 . 1 29 29 GLY HA2 H 1 3.819 0.00 . 1 . . . . A 27 GLY HA2 . 34462 1 327 . 1 . 1 29 29 GLY HA3 H 1 3.965 0.00 . 1 . . . . A 27 GLY HA3 . 34462 1 328 . 1 . 1 29 29 GLY C C 13 174.262 0.00 . 1 . . . . A 27 GLY C . 34462 1 329 . 1 . 1 29 29 GLY CA C 13 46.131 0.00 . 1 . . . . A 27 GLY CA . 34462 1 330 . 1 . 1 29 29 GLY N N 15 109.705 0.00 . 1 . . . . A 27 GLY N . 34462 1 331 . 1 . 1 30 30 LEU H H 1 7.821 0.00 . 1 . . . . A 28 LEU H . 34462 1 332 . 1 . 1 30 30 LEU HA H 1 4.750 0.00 . 1 . . . . A 28 LEU HA . 34462 1 333 . 1 . 1 30 30 LEU HB2 H 1 1.359 0.00 . 1 . . . . A 28 LEU HB2 . 34462 1 334 . 1 . 1 30 30 LEU HB3 H 1 1.181 0.00 . 1 . . . . A 28 LEU HB3 . 34462 1 335 . 1 . 1 30 30 LEU HG H 1 1.414 0.00 . 1 . . . . A 28 LEU HG . 34462 1 336 . 1 . 1 30 30 LEU HD11 H 1 0.908 0.00 . 1 . . . . A 28 LEU HD11 . 34462 1 337 . 1 . 1 30 30 LEU HD12 H 1 0.908 0.00 . 1 . . . . A 28 LEU HD12 . 34462 1 338 . 1 . 1 30 30 LEU HD13 H 1 0.908 0.00 . 1 . . . . A 28 LEU HD13 . 34462 1 339 . 1 . 1 30 30 LEU HD21 H 1 0.603 0.00 . 1 . . . . A 28 LEU HD21 . 34462 1 340 . 1 . 1 30 30 LEU HD22 H 1 0.603 0.00 . 1 . . . . A 28 LEU HD22 . 34462 1 341 . 1 . 1 30 30 LEU HD23 H 1 0.603 0.00 . 1 . . . . A 28 LEU HD23 . 34462 1 342 . 1 . 1 30 30 LEU C C 13 179.411 0.00 . 1 . . . . A 28 LEU C . 34462 1 343 . 1 . 1 30 30 LEU CA C 13 52.117 0.00 . 1 . . . . A 28 LEU CA . 34462 1 344 . 1 . 1 30 30 LEU CB C 13 47.281 0.00 . 1 . . . . A 28 LEU CB . 34462 1 345 . 1 . 1 30 30 LEU CG C 13 26.453 0.00 . 1 . . . . A 28 LEU CG . 34462 1 346 . 1 . 1 30 30 LEU CD1 C 13 25.660 0.00 . 1 . . . . A 28 LEU CD1 . 34462 1 347 . 1 . 1 30 30 LEU CD2 C 13 25.660 0.00 . 1 . . . . A 28 LEU CD2 . 34462 1 348 . 1 . 1 30 30 LEU N N 15 119.103 0.00 . 1 . . . . A 28 LEU N . 34462 1 349 . 1 . 1 31 31 SER H H 1 8.326 0.00 . 1 . . . . A 29 SER H . 34462 1 350 . 1 . 1 31 31 SER HA H 1 4.465 0.00 . 1 . . . . A 29 SER HA . 34462 1 351 . 1 . 1 31 31 SER HB2 H 1 4.302 0.00 . 1 . . . . A 29 SER HB2 . 34462 1 352 . 1 . 1 31 31 SER HB3 H 1 4.000 0.00 . 1 . . . . A 29 SER HB3 . 34462 1 353 . 1 . 1 31 31 SER C C 13 175.267 0.00 . 1 . . . . A 29 SER C . 34462 1 354 . 1 . 1 31 31 SER CA C 13 56.864 0.00 . 1 . . . . A 29 SER CA . 34462 1 355 . 1 . 1 31 31 SER CB C 13 64.645 0.00 . 1 . . . . A 29 SER CB . 34462 1 356 . 1 . 1 31 31 SER N N 15 114.699 0.00 . 1 . . . . A 29 SER N . 34462 1 357 . 1 . 1 32 32 GLU H H 1 9.208 0.00 . 1 . . . . A 30 GLU H . 34462 1 358 . 1 . 1 32 32 GLU HA H 1 3.713 0.00 . 1 . . . . A 30 GLU HA . 34462 1 359 . 1 . 1 32 32 GLU HB2 H 1 2.065 0.00 . 1 . . . . A 30 GLU HB2 . 34462 1 360 . 1 . 1 32 32 GLU HB3 H 1 2.137 0.00 . 1 . . . . A 30 GLU HB3 . 34462 1 361 . 1 . 1 32 32 GLU HG2 H 1 2.214 0.00 . 1 . . . . A 30 GLU HG2 . 34462 1 362 . 1 . 1 32 32 GLU HG3 H 1 2.298 0.00 . 1 . . . . A 30 GLU HG3 . 34462 1 363 . 1 . 1 32 32 GLU C C 13 178.448 0.00 . 1 . . . . A 30 GLU C . 34462 1 364 . 1 . 1 32 32 GLU CA C 13 60.365 0.00 . 1 . . . . A 30 GLU CA . 34462 1 365 . 1 . 1 32 32 GLU CB C 13 29.356 0.00 . 1 . . . . A 30 GLU CB . 34462 1 366 . 1 . 1 32 32 GLU CG C 13 36.882 0.00 . 1 . . . . A 30 GLU CG . 34462 1 367 . 1 . 1 32 32 GLU N N 15 123.610 0.00 . 1 . . . . A 30 GLU N . 34462 1 368 . 1 . 1 33 33 ARG H H 1 8.427 0.00 . 1 . . . . A 31 ARG H . 34462 1 369 . 1 . 1 33 33 ARG HA H 1 4.024 0.00 . 1 . . . . A 31 ARG HA . 34462 1 370 . 1 . 1 33 33 ARG HB2 H 1 1.873 0.00 . 1 . . . . A 31 ARG HB2 . 34462 1 371 . 1 . 1 33 33 ARG HB3 H 1 1.721 0.00 . 1 . . . . A 31 ARG HB3 . 34462 1 372 . 1 . 1 33 33 ARG HG2 H 1 1.540 0.00 . 1 . . . . A 31 ARG HG2 . 34462 1 373 . 1 . 1 33 33 ARG HG3 H 1 1.610 0.00 . 1 . . . . A 31 ARG HG3 . 34462 1 374 . 1 . 1 33 33 ARG HD2 H 1 3.155 0.00 . 1 . . . . A 31 ARG HD2 . 34462 1 375 . 1 . 1 33 33 ARG HD3 H 1 3.206 0.00 . 1 . . . . A 31 ARG HD3 . 34462 1 376 . 1 . 1 33 33 ARG C C 13 178.148 0.00 . 1 . . . . A 31 ARG C . 34462 1 377 . 1 . 1 33 33 ARG CA C 13 58.931 0.00 . 1 . . . . A 31 ARG CA . 34462 1 378 . 1 . 1 33 33 ARG CB C 13 29.652 0.00 . 1 . . . . A 31 ARG CB . 34462 1 379 . 1 . 1 33 33 ARG CG C 13 26.795 0.00 . 1 . . . . A 31 ARG CG . 34462 1 380 . 1 . 1 33 33 ARG CD C 13 43.045 0.00 . 1 . . . . A 31 ARG CD . 34462 1 381 . 1 . 1 33 33 ARG N N 15 118.791 0.00 . 1 . . . . A 31 ARG N . 34462 1 382 . 1 . 1 34 34 THR H H 1 7.853 0.00 . 1 . . . . A 32 THR H . 34462 1 383 . 1 . 1 34 34 THR HA H 1 3.733 0.00 . 1 . . . . A 32 THR HA . 34462 1 384 . 1 . 1 34 34 THR HB H 1 4.191 0.00 . 1 . . . . A 32 THR HB . 34462 1 385 . 1 . 1 34 34 THR HG21 H 1 1.094 0.00 . 1 . . . . A 32 THR HG21 . 34462 1 386 . 1 . 1 34 34 THR HG22 H 1 1.094 0.00 . 1 . . . . A 32 THR HG22 . 34462 1 387 . 1 . 1 34 34 THR HG23 H 1 1.094 0.00 . 1 . . . . A 32 THR HG23 . 34462 1 388 . 1 . 1 34 34 THR C C 13 176.000 0.00 . 1 . . . . A 32 THR C . 34462 1 389 . 1 . 1 34 34 THR CA C 13 66.962 0.00 . 1 . . . . A 32 THR CA . 34462 1 390 . 1 . 1 34 34 THR CB C 13 67.637 0.00 . 1 . . . . A 32 THR CB . 34462 1 391 . 1 . 1 34 34 THR CG2 C 13 23.338 0.00 . 1 . . . . A 32 THR CG2 . 34462 1 392 . 1 . 1 34 34 THR N N 15 117.107 0.00 . 1 . . . . A 32 THR N . 34462 1 393 . 1 . 1 35 35 VAL H H 1 7.923 0.00 . 1 . . . . A 33 VAL H . 34462 1 394 . 1 . 1 35 35 VAL HA H 1 3.241 0.00 . 1 . . . . A 33 VAL HA . 34462 1 395 . 1 . 1 35 35 VAL HB H 1 2.230 0.00 . 1 . . . . A 33 VAL HB . 34462 1 396 . 1 . 1 35 35 VAL HG11 H 1 0.962 0.00 . 1 . . . . A 33 VAL HG11 . 34462 1 397 . 1 . 1 35 35 VAL HG12 H 1 0.962 0.00 . 1 . . . . A 33 VAL HG12 . 34462 1 398 . 1 . 1 35 35 VAL HG13 H 1 0.962 0.00 . 1 . . . . A 33 VAL HG13 . 34462 1 399 . 1 . 1 35 35 VAL HG21 H 1 1.142 0.00 . 1 . . . . A 33 VAL HG21 . 34462 1 400 . 1 . 1 35 35 VAL HG22 H 1 1.142 0.00 . 1 . . . . A 33 VAL HG22 . 34462 1 401 . 1 . 1 35 35 VAL HG23 H 1 1.142 0.00 . 1 . . . . A 33 VAL HG23 . 34462 1 402 . 1 . 1 35 35 VAL C C 13 176.800 0.00 . 1 . . . . A 33 VAL C . 34462 1 403 . 1 . 1 35 35 VAL CA C 13 67.763 0.00 . 1 . . . . A 33 VAL CA . 34462 1 404 . 1 . 1 35 35 VAL CB C 13 31.384 0.00 . 1 . . . . A 33 VAL CB . 34462 1 405 . 1 . 1 35 35 VAL CG1 C 13 21.822 0.00 . 1 . . . . A 33 VAL CG1 . 34462 1 406 . 1 . 1 35 35 VAL CG2 C 13 21.822 0.00 . 1 . . . . A 33 VAL CG2 . 34462 1 407 . 1 . 1 35 35 VAL N N 15 120.091 0.00 . 1 . . . . A 33 VAL N . 34462 1 408 . 1 . 1 36 36 SER H H 1 8.284 0.00 . 1 . . . . A 34 SER H . 34462 1 409 . 1 . 1 36 36 SER HA H 1 4.105 0.00 . 1 . . . . A 34 SER HA . 34462 1 410 . 1 . 1 36 36 SER HB3 H 1 4.033 0.00 . 1 . . . . A 34 SER HB3 . 34462 1 411 . 1 . 1 36 36 SER C C 13 177.280 0.00 . 1 . . . . A 34 SER C . 34462 1 412 . 1 . 1 36 36 SER CA C 13 62.038 0.00 . 1 . . . . A 34 SER CA . 34462 1 413 . 1 . 1 36 36 SER CB C 13 62.792 0.00 . 1 . . . . A 34 SER CB . 34462 1 414 . 1 . 1 36 36 SER N N 15 114.854 0.00 . 1 . . . . A 34 SER N . 34462 1 415 . 1 . 1 37 37 LEU H H 1 7.947 0.00 . 1 . . . . A 35 LEU H . 34462 1 416 . 1 . 1 37 37 LEU HA H 1 4.034 0.00 . 1 . . . . A 35 LEU HA . 34462 1 417 . 1 . 1 37 37 LEU HB2 H 1 1.251 0.00 . 1 . . . . A 35 LEU HB2 . 34462 1 418 . 1 . 1 37 37 LEU HB3 H 1 1.950 0.00 . 1 . . . . A 35 LEU HB3 . 34462 1 419 . 1 . 1 37 37 LEU HG H 1 1.866 0.00 . 1 . . . . A 35 LEU HG . 34462 1 420 . 1 . 1 37 37 LEU HD11 H 1 0.810 0.00 . 1 . . . . A 35 LEU HD11 . 34462 1 421 . 1 . 1 37 37 LEU HD12 H 1 0.810 0.00 . 1 . . . . A 35 LEU HD12 . 34462 1 422 . 1 . 1 37 37 LEU HD13 H 1 0.810 0.00 . 1 . . . . A 35 LEU HD13 . 34462 1 423 . 1 . 1 37 37 LEU HD21 H 1 0.810 0.00 . 1 . . . . A 35 LEU HD21 . 34462 1 424 . 1 . 1 37 37 LEU HD22 H 1 0.810 0.00 . 1 . . . . A 35 LEU HD22 . 34462 1 425 . 1 . 1 37 37 LEU HD23 H 1 0.810 0.00 . 1 . . . . A 35 LEU HD23 . 34462 1 426 . 1 . 1 37 37 LEU C C 13 179.872 0.00 . 1 . . . . A 35 LEU C . 34462 1 427 . 1 . 1 37 37 LEU CA C 13 58.264 0.00 . 1 . . . . A 35 LEU CA . 34462 1 428 . 1 . 1 37 37 LEU CB C 13 42.061 0.00 . 1 . . . . A 35 LEU CB . 34462 1 429 . 1 . 1 37 37 LEU CG C 13 26.647 0.00 . 1 . . . . A 35 LEU CG . 34462 1 430 . 1 . 1 37 37 LEU CD1 C 13 25.658 0.00 . 1 . . . . A 35 LEU CD1 . 34462 1 431 . 1 . 1 37 37 LEU CD2 C 13 25.658 0.00 . 1 . . . . A 35 LEU CD2 . 34462 1 432 . 1 . 1 37 37 LEU N N 15 120.796 0.00 . 1 . . . . A 35 LEU N . 34462 1 433 . 1 . 1 38 38 LYS H H 1 7.632 0.00 . 1 . . . . A 36 LYS H . 34462 1 434 . 1 . 1 38 38 LYS HA H 1 4.292 0.00 . 1 . . . . A 36 LYS HA . 34462 1 435 . 1 . 1 38 38 LYS HB2 H 1 0.951 0.00 . 1 . . . . A 36 LYS HB2 . 34462 1 436 . 1 . 1 38 38 LYS HB3 H 1 -0.028 0.00 . 1 . . . . A 36 LYS HB3 . 34462 1 437 . 1 . 1 38 38 LYS HG2 H 1 0.703 0.00 . 1 . . . . A 36 LYS HG2 . 34462 1 438 . 1 . 1 38 38 LYS HG3 H 1 0.944 0.00 . 1 . . . . A 36 LYS HG3 . 34462 1 439 . 1 . 1 38 38 LYS HD3 H 1 0.348 0.00 . 1 . . . . A 36 LYS HD3 . 34462 1 440 . 1 . 1 38 38 LYS HE2 H 1 2.623 0.00 . 1 . . . . A 36 LYS HE2 . 34462 1 441 . 1 . 1 38 38 LYS HE3 H 1 2.216 0.00 . 1 . . . . A 36 LYS HE3 . 34462 1 442 . 1 . 1 38 38 LYS C C 13 179.958 0.00 . 1 . . . . A 36 LYS C . 34462 1 443 . 1 . 1 38 38 LYS CA C 13 58.208 0.00 . 1 . . . . A 36 LYS CA . 34462 1 444 . 1 . 1 38 38 LYS CB C 13 30.847 0.00 . 1 . . . . A 36 LYS CB . 34462 1 445 . 1 . 1 38 38 LYS CG C 13 26.579 0.00 . 1 . . . . A 36 LYS CG . 34462 1 446 . 1 . 1 38 38 LYS CD C 13 28.276 0.00 . 1 . . . . A 36 LYS CD . 34462 1 447 . 1 . 1 38 38 LYS CE C 13 42.112 0.00 . 1 . . . . A 36 LYS CE . 34462 1 448 . 1 . 1 38 38 LYS N N 15 120.480 0.00 . 1 . . . . A 36 LYS N . 34462 1 449 . 1 . 1 39 39 LEU H H 1 8.191 0.00 . 1 . . . . A 37 LEU H . 34462 1 450 . 1 . 1 39 39 LEU HA H 1 4.070 0.00 . 1 . . . . A 37 LEU HA . 34462 1 451 . 1 . 1 39 39 LEU HB2 H 1 1.879 0.00 . 1 . . . . A 37 LEU HB2 . 34462 1 452 . 1 . 1 39 39 LEU HB3 H 1 1.539 0.00 . 1 . . . . A 37 LEU HB3 . 34462 1 453 . 1 . 1 39 39 LEU HG H 1 0.802 0.00 . 1 . . . . A 37 LEU HG . 34462 1 454 . 1 . 1 39 39 LEU HD11 H 1 0.798 0.00 . 1 . . . . A 37 LEU HD11 . 34462 1 455 . 1 . 1 39 39 LEU HD12 H 1 0.798 0.00 . 1 . . . . A 37 LEU HD12 . 34462 1 456 . 1 . 1 39 39 LEU HD13 H 1 0.798 0.00 . 1 . . . . A 37 LEU HD13 . 34462 1 457 . 1 . 1 39 39 LEU C C 13 176.820 0.00 . 1 . . . . A 37 LEU C . 34462 1 458 . 1 . 1 39 39 LEU CA C 13 56.395 0.00 . 1 . . . . A 37 LEU CA . 34462 1 459 . 1 . 1 39 39 LEU CB C 13 41.661 0.00 . 1 . . . . A 37 LEU CB . 34462 1 460 . 1 . 1 39 39 LEU CG C 13 26.154 0.00 . 1 . . . . A 37 LEU CG . 34462 1 461 . 1 . 1 39 39 LEU CD1 C 13 23.160 0.00 . 1 . . . . A 37 LEU CD1 . 34462 1 462 . 1 . 1 39 39 LEU N N 15 118.349 0.00 . 1 . . . . A 37 LEU N . 34462 1 463 . 1 . 1 40 40 ASN H H 1 7.572 0.00 . 1 . . . . A 38 ASN H . 34462 1 464 . 1 . 1 40 40 ASN HA H 1 5.016 0.00 . 1 . . . . A 38 ASN HA . 34462 1 465 . 1 . 1 40 40 ASN HB2 H 1 2.693 0.00 . 1 . . . . A 38 ASN HB2 . 34462 1 466 . 1 . 1 40 40 ASN HB3 H 1 2.968 0.00 . 1 . . . . A 38 ASN HB3 . 34462 1 467 . 1 . 1 40 40 ASN HD21 H 1 6.923 0.00 . 1 . . . . A 38 ASN HD21 . 34462 1 468 . 1 . 1 40 40 ASN HD22 H 1 7.769 0.00 . 1 . . . . A 38 ASN HD22 . 34462 1 469 . 1 . 1 40 40 ASN C C 13 174.205 0.00 . 1 . . . . A 38 ASN C . 34462 1 470 . 1 . 1 40 40 ASN CA C 13 53.163 0.00 . 1 . . . . A 38 ASN CA . 34462 1 471 . 1 . 1 40 40 ASN CB C 13 39.599 0.00 . 1 . . . . A 38 ASN CB . 34462 1 472 . 1 . 1 40 40 ASN N N 15 115.041 0.00 . 1 . . . . A 38 ASN N . 34462 1 473 . 1 . 1 40 40 ASN ND2 N 15 113.881 0.00 . 1 . . . . A 38 ASN ND2 . 34462 1 474 . 1 . 1 41 41 ASP H H 1 7.942 0.00 . 1 . . . . A 39 ASP H . 34462 1 475 . 1 . 1 41 41 ASP HA H 1 4.903 0.00 . 1 . . . . A 39 ASP HA . 34462 1 476 . 1 . 1 41 41 ASP HB2 H 1 2.746 0.00 . 1 . . . . A 39 ASP HB2 . 34462 1 477 . 1 . 1 41 41 ASP HB3 H 1 3.266 0.00 . 1 . . . . A 39 ASP HB3 . 34462 1 478 . 1 . 1 41 41 ASP C C 13 175.610 0.00 . 1 . . . . A 39 ASP C . 34462 1 479 . 1 . 1 41 41 ASP CA C 13 56.008 0.00 . 1 . . . . A 39 ASP CA . 34462 1 480 . 1 . 1 41 41 ASP CB C 13 40.487 0.00 . 1 . . . . A 39 ASP CB . 34462 1 481 . 1 . 1 41 41 ASP N N 15 115.903 0.00 . 1 . . . . A 39 ASP N . 34462 1 482 . 1 . 1 42 42 LYS H H 1 8.394 0.00 . 1 . . . . A 40 LYS H . 34462 1 483 . 1 . 1 42 42 LYS HA H 1 4.403 0.00 . 1 . . . . A 40 LYS HA . 34462 1 484 . 1 . 1 42 42 LYS HB2 H 1 1.851 0.00 . 1 . . . . A 40 LYS HB2 . 34462 1 485 . 1 . 1 42 42 LYS HB3 H 1 1.928 0.00 . 1 . . . . A 40 LYS HB3 . 34462 1 486 . 1 . 1 42 42 LYS HG2 H 1 1.537 0.00 . 1 . . . . A 40 LYS HG2 . 34462 1 487 . 1 . 1 42 42 LYS HG3 H 1 1.396 0.00 . 1 . . . . A 40 LYS HG3 . 34462 1 488 . 1 . 1 42 42 LYS C C 13 176.854 0.00 . 1 . . . . A 40 LYS C . 34462 1 489 . 1 . 1 42 42 LYS CA C 13 56.178 0.00 . 1 . . . . A 40 LYS CA . 34462 1 490 . 1 . 1 42 42 LYS CB C 13 33.253 0.00 . 1 . . . . A 40 LYS CB . 34462 1 491 . 1 . 1 42 42 LYS N N 15 114.830 0.00 . 1 . . . . A 40 LYS N . 34462 1 492 . 1 . 1 43 43 VAL H H 1 7.122 0.00 . 1 . . . . A 41 VAL H . 34462 1 493 . 1 . 1 43 43 VAL HA H 1 4.235 0.00 . 1 . . . . A 41 VAL HA . 34462 1 494 . 1 . 1 43 43 VAL HB H 1 1.526 0.00 . 1 . . . . A 41 VAL HB . 34462 1 495 . 1 . 1 43 43 VAL HG11 H 1 0.856 0.00 . 1 . . . . A 41 VAL HG11 . 34462 1 496 . 1 . 1 43 43 VAL HG12 H 1 0.856 0.00 . 1 . . . . A 41 VAL HG12 . 34462 1 497 . 1 . 1 43 43 VAL HG13 H 1 0.856 0.00 . 1 . . . . A 41 VAL HG13 . 34462 1 498 . 1 . 1 43 43 VAL HG21 H 1 0.914 0.00 . 1 . . . . A 41 VAL HG21 . 34462 1 499 . 1 . 1 43 43 VAL HG22 H 1 0.914 0.00 . 1 . . . . A 41 VAL HG22 . 34462 1 500 . 1 . 1 43 43 VAL HG23 H 1 0.914 0.00 . 1 . . . . A 41 VAL HG23 . 34462 1 501 . 1 . 1 43 43 VAL C C 13 174.963 0.00 . 1 . . . . A 41 VAL C . 34462 1 502 . 1 . 1 43 43 VAL CA C 13 60.387 0.00 . 1 . . . . A 41 VAL CA . 34462 1 503 . 1 . 1 43 43 VAL CB C 13 35.285 0.00 . 1 . . . . A 41 VAL CB . 34462 1 504 . 1 . 1 43 43 VAL CG1 C 13 22.295 0.00 . 1 . . . . A 41 VAL CG1 . 34462 1 505 . 1 . 1 43 43 VAL CG2 C 13 21.114 0.00 . 1 . . . . A 41 VAL CG2 . 34462 1 506 . 1 . 1 43 43 VAL N N 15 118.155 0.00 . 1 . . . . A 41 VAL N . 34462 1 507 . 1 . 1 44 44 THR H H 1 8.245 0.00 . 1 . . . . A 42 THR H . 34462 1 508 . 1 . 1 44 44 THR HA H 1 4.372 0.00 . 1 . . . . A 42 THR HA . 34462 1 509 . 1 . 1 44 44 THR HB H 1 4.343 0.00 . 1 . . . . A 42 THR HB . 34462 1 510 . 1 . 1 44 44 THR HG1 H 1 4.759 0.00 . 1 . . . . A 42 THR HG1 . 34462 1 511 . 1 . 1 44 44 THR HG21 H 1 1.370 0.00 . 1 . . . . A 42 THR HG21 . 34462 1 512 . 1 . 1 44 44 THR HG22 H 1 1.370 0.00 . 1 . . . . A 42 THR HG22 . 34462 1 513 . 1 . 1 44 44 THR HG23 H 1 1.370 0.00 . 1 . . . . A 42 THR HG23 . 34462 1 514 . 1 . 1 44 44 THR C C 13 176.436 0.00 . 1 . . . . A 42 THR C . 34462 1 515 . 1 . 1 44 44 THR CA C 13 62.206 0.00 . 1 . . . . A 42 THR CA . 34462 1 516 . 1 . 1 44 44 THR CB C 13 70.184 0.00 . 1 . . . . A 42 THR CB . 34462 1 517 . 1 . 1 44 44 THR CG2 C 13 22.330 0.00 . 1 . . . . A 42 THR CG2 . 34462 1 518 . 1 . 1 44 44 THR N N 15 117.661 0.00 . 1 . . . . A 42 THR N . 34462 1 519 . 1 . 1 45 45 TRP H H 1 8.947 0.00 . 1 . . . . A 43 TRP H . 34462 1 520 . 1 . 1 45 45 TRP HA H 1 4.313 0.00 . 1 . . . . A 43 TRP HA . 34462 1 521 . 1 . 1 45 45 TRP HB2 H 1 3.130 0.00 . 1 . . . . A 43 TRP HB2 . 34462 1 522 . 1 . 1 45 45 TRP HB3 H 1 3.183 0.00 . 1 . . . . A 43 TRP HB3 . 34462 1 523 . 1 . 1 45 45 TRP HD1 H 1 7.616 0.00 . 1 . . . . A 43 TRP HD1 . 34462 1 524 . 1 . 1 45 45 TRP HE3 H 1 6.813 0.00 . 1 . . . . A 43 TRP HE3 . 34462 1 525 . 1 . 1 45 45 TRP HZ2 H 1 6.936 0.00 . 1 . . . . A 43 TRP HZ2 . 34462 1 526 . 1 . 1 45 45 TRP HZ3 H 1 7.035 0.00 . 1 . . . . A 43 TRP HZ3 . 34462 1 527 . 1 . 1 45 45 TRP C C 13 176.306 0.00 . 1 . . . . A 43 TRP C . 34462 1 528 . 1 . 1 45 45 TRP CA C 13 58.191 0.00 . 1 . . . . A 43 TRP CA . 34462 1 529 . 1 . 1 45 45 TRP CB C 13 29.401 0.00 . 1 . . . . A 43 TRP CB . 34462 1 530 . 1 . 1 45 45 TRP CD1 C 13 120.815 0.00 . 1 . . . . A 43 TRP CD1 . 34462 1 531 . 1 . 1 45 45 TRP CE3 C 13 119.991 0.00 . 1 . . . . A 43 TRP CE3 . 34462 1 532 . 1 . 1 45 45 TRP CZ2 C 13 113.516 0.00 . 1 . . . . A 43 TRP CZ2 . 34462 1 533 . 1 . 1 45 45 TRP CZ3 C 13 121.728 0.00 . 1 . . . . A 43 TRP CZ3 . 34462 1 534 . 1 . 1 45 45 TRP N N 15 124.426 0.00 . 1 . . . . A 43 TRP N . 34462 1 535 . 1 . 1 46 46 LYS H H 1 8.953 0.00 . 1 . . . . A 44 LYS H . 34462 1 536 . 1 . 1 46 46 LYS HA H 1 4.612 0.00 . 1 . . . . A 44 LYS HA . 34462 1 537 . 1 . 1 46 46 LYS HB2 H 1 1.590 0.00 . 1 . . . . A 44 LYS HB2 . 34462 1 538 . 1 . 1 46 46 LYS HB3 H 1 2.162 0.00 . 1 . . . . A 44 LYS HB3 . 34462 1 539 . 1 . 1 46 46 LYS HG2 H 1 1.460 0.00 . 1 . . . . A 44 LYS HG2 . 34462 1 540 . 1 . 1 46 46 LYS HG3 H 1 1.512 0.00 . 1 . . . . A 44 LYS HG3 . 34462 1 541 . 1 . 1 46 46 LYS HD3 H 1 1.680 0.00 . 1 . . . . A 44 LYS HD3 . 34462 1 542 . 1 . 1 46 46 LYS HE3 H 1 3.006 0.00 . 1 . . . . A 44 LYS HE3 . 34462 1 543 . 1 . 1 46 46 LYS C C 13 178.193 0.00 . 1 . . . . A 44 LYS C . 34462 1 544 . 1 . 1 46 46 LYS CA C 13 54.906 0.00 . 1 . . . . A 44 LYS CA . 34462 1 545 . 1 . 1 46 46 LYS CB C 13 33.709 0.00 . 1 . . . . A 44 LYS CB . 34462 1 546 . 1 . 1 46 46 LYS CG C 13 25.465 0.00 . 1 . . . . A 44 LYS CG . 34462 1 547 . 1 . 1 46 46 LYS CD C 13 28.654 0.00 . 1 . . . . A 44 LYS CD . 34462 1 548 . 1 . 1 46 46 LYS CE C 13 42.006 0.00 . 1 . . . . A 44 LYS CE . 34462 1 549 . 1 . 1 46 46 LYS N N 15 123.199 0.00 . 1 . . . . A 44 LYS N . 34462 1 550 . 1 . 1 47 47 ASP H H 1 9.050 0.00 . 1 . . . . A 45 ASP H . 34462 1 551 . 1 . 1 47 47 ASP HA H 1 4.236 0.00 . 1 . . . . A 45 ASP HA . 34462 1 552 . 1 . 1 47 47 ASP HB3 H 1 2.682 0.00 . 1 . . . . A 45 ASP HB3 . 34462 1 553 . 1 . 1 47 47 ASP C C 13 178.173 0.00 . 1 . . . . A 45 ASP C . 34462 1 554 . 1 . 1 47 47 ASP CA C 13 58.566 0.00 . 1 . . . . A 45 ASP CA . 34462 1 555 . 1 . 1 47 47 ASP CB C 13 40.138 0.00 . 1 . . . . A 45 ASP CB . 34462 1 556 . 1 . 1 47 47 ASP N N 15 123.264 0.00 . 1 . . . . A 45 ASP N . 34462 1 557 . 1 . 1 48 48 ASP H H 1 8.936 0.00 . 1 . . . . A 46 ASP H . 34462 1 558 . 1 . 1 48 48 ASP HA H 1 4.291 0.00 . 1 . . . . A 46 ASP HA . 34462 1 559 . 1 . 1 48 48 ASP HB2 H 1 2.700 0.00 . 1 . . . . A 46 ASP HB2 . 34462 1 560 . 1 . 1 48 48 ASP HB3 H 1 2.591 0.00 . 1 . . . . A 46 ASP HB3 . 34462 1 561 . 1 . 1 48 48 ASP C C 13 179.033 0.00 . 1 . . . . A 46 ASP C . 34462 1 562 . 1 . 1 48 48 ASP CA C 13 56.442 0.00 . 1 . . . . A 46 ASP CA . 34462 1 563 . 1 . 1 48 48 ASP CB C 13 39.437 0.00 . 1 . . . . A 46 ASP CB . 34462 1 564 . 1 . 1 48 48 ASP N N 15 115.805 0.00 . 1 . . . . A 46 ASP N . 34462 1 565 . 1 . 1 49 49 GLU H H 1 7.177 0.00 . 1 . . . . A 47 GLU H . 34462 1 566 . 1 . 1 49 49 GLU HA H 1 4.049 0.00 . 1 . . . . A 47 GLU HA . 34462 1 567 . 1 . 1 49 49 GLU HB2 H 1 2.060 0.00 . 1 . . . . A 47 GLU HB2 . 34462 1 568 . 1 . 1 49 49 GLU HB3 H 1 2.969 0.00 . 1 . . . . A 47 GLU HB3 . 34462 1 569 . 1 . 1 49 49 GLU HG2 H 1 2.356 0.00 . 1 . . . . A 47 GLU HG2 . 34462 1 570 . 1 . 1 49 49 GLU HG3 H 1 2.409 0.00 . 1 . . . . A 47 GLU HG3 . 34462 1 571 . 1 . 1 49 49 GLU C C 13 178.259 0.00 . 1 . . . . A 47 GLU C . 34462 1 572 . 1 . 1 49 49 GLU CA C 13 58.181 0.00 . 1 . . . . A 47 GLU CA . 34462 1 573 . 1 . 1 49 49 GLU CB C 13 30.164 0.00 . 1 . . . . A 47 GLU CB . 34462 1 574 . 1 . 1 49 49 GLU CG C 13 35.950 0.00 . 1 . . . . A 47 GLU CG . 34462 1 575 . 1 . 1 49 49 GLU N N 15 121.378 0.00 . 1 . . . . A 47 GLU N . 34462 1 576 . 1 . 1 50 50 ILE H H 1 7.985 0.00 . 1 . . . . A 48 ILE H . 34462 1 577 . 1 . 1 50 50 ILE HA H 1 2.780 0.00 . 1 . . . . A 48 ILE HA . 34462 1 578 . 1 . 1 50 50 ILE HB H 1 1.633 0.00 . 1 . . . . A 48 ILE HB . 34462 1 579 . 1 . 1 50 50 ILE HG12 H 1 -0.469 0.00 . 1 . . . . A 48 ILE HG12 . 34462 1 580 . 1 . 1 50 50 ILE HG13 H 1 1.423 0.00 . 1 . . . . A 48 ILE HG13 . 34462 1 581 . 1 . 1 50 50 ILE HG21 H 1 0.012 0.00 . 1 . . . . A 48 ILE HG21 . 34462 1 582 . 1 . 1 50 50 ILE HG22 H 1 0.012 0.00 . 1 . . . . A 48 ILE HG22 . 34462 1 583 . 1 . 1 50 50 ILE HG23 H 1 0.012 0.00 . 1 . . . . A 48 ILE HG23 . 34462 1 584 . 1 . 1 50 50 ILE HD11 H 1 0.510 0.00 . 1 . . . . A 48 ILE HD11 . 34462 1 585 . 1 . 1 50 50 ILE HD12 H 1 0.510 0.00 . 1 . . . . A 48 ILE HD12 . 34462 1 586 . 1 . 1 50 50 ILE HD13 H 1 0.510 0.00 . 1 . . . . A 48 ILE HD13 . 34462 1 587 . 1 . 1 50 50 ILE C C 13 177.295 0.00 . 1 . . . . A 48 ILE C . 34462 1 588 . 1 . 1 50 50 ILE CA C 13 65.573 0.00 . 1 . . . . A 48 ILE CA . 34462 1 589 . 1 . 1 50 50 ILE CB C 13 37.196 0.00 . 1 . . . . A 48 ILE CB . 34462 1 590 . 1 . 1 50 50 ILE CG1 C 13 28.742 0.00 . 1 . . . . A 48 ILE CG1 . 34462 1 591 . 1 . 1 50 50 ILE CG2 C 13 16.083 0.00 . 1 . . . . A 48 ILE CG2 . 34462 1 592 . 1 . 1 50 50 ILE CD1 C 13 13.228 0.00 . 1 . . . . A 48 ILE CD1 . 34462 1 593 . 1 . 1 50 50 ILE N N 15 120.704 0.00 . 1 . . . . A 48 ILE N . 34462 1 594 . 1 . 1 51 51 LEU H H 1 7.461 0.00 . 1 . . . . A 49 LEU H . 34462 1 595 . 1 . 1 51 51 LEU HA H 1 3.815 0.00 . 1 . . . . A 49 LEU HA . 34462 1 596 . 1 . 1 51 51 LEU HB2 H 1 1.691 0.00 . 1 . . . . A 49 LEU HB2 . 34462 1 597 . 1 . 1 51 51 LEU HB3 H 1 1.502 0.00 . 1 . . . . A 49 LEU HB3 . 34462 1 598 . 1 . 1 51 51 LEU HG H 1 1.670 0.00 . 1 . . . . A 49 LEU HG . 34462 1 599 . 1 . 1 51 51 LEU HD11 H 1 0.822 0.00 . 1 . . . . A 49 LEU HD11 . 34462 1 600 . 1 . 1 51 51 LEU HD12 H 1 0.822 0.00 . 1 . . . . A 49 LEU HD12 . 34462 1 601 . 1 . 1 51 51 LEU HD13 H 1 0.822 0.00 . 1 . . . . A 49 LEU HD13 . 34462 1 602 . 1 . 1 51 51 LEU HD21 H 1 0.853 0.00 . 1 . . . . A 49 LEU HD21 . 34462 1 603 . 1 . 1 51 51 LEU HD22 H 1 0.853 0.00 . 1 . . . . A 49 LEU HD22 . 34462 1 604 . 1 . 1 51 51 LEU HD23 H 1 0.853 0.00 . 1 . . . . A 49 LEU HD23 . 34462 1 605 . 1 . 1 51 51 LEU C C 13 179.442 0.00 . 1 . . . . A 49 LEU C . 34462 1 606 . 1 . 1 51 51 LEU CA C 13 57.830 0.00 . 1 . . . . A 49 LEU CA . 34462 1 607 . 1 . 1 51 51 LEU CB C 13 41.178 0.00 . 1 . . . . A 49 LEU CB . 34462 1 608 . 1 . 1 51 51 LEU CG C 13 26.774 0.00 . 1 . . . . A 49 LEU CG . 34462 1 609 . 1 . 1 51 51 LEU CD1 C 13 22.838 0.00 . 1 . . . . A 49 LEU CD1 . 34462 1 610 . 1 . 1 51 51 LEU CD2 C 13 24.484 0.00 . 1 . . . . A 49 LEU CD2 . 34462 1 611 . 1 . 1 51 51 LEU N N 15 116.621 0.00 . 1 . . . . A 49 LEU N . 34462 1 612 . 1 . 1 52 52 LYS H H 1 7.651 0.00 . 1 . . . . A 50 LYS H . 34462 1 613 . 1 . 1 52 52 LYS HA H 1 4.139 0.00 . 1 . . . . A 50 LYS HA . 34462 1 614 . 1 . 1 52 52 LYS HB2 H 1 1.981 0.00 . 1 . . . . A 50 LYS HB2 . 34462 1 615 . 1 . 1 52 52 LYS HB3 H 1 1.905 0.00 . 1 . . . . A 50 LYS HB3 . 34462 1 616 . 1 . 1 52 52 LYS HG3 H 1 1.608 0.00 . 1 . . . . A 50 LYS HG3 . 34462 1 617 . 1 . 1 52 52 LYS HD2 H 1 1.767 0.00 . 1 . . . . A 50 LYS HD2 . 34462 1 618 . 1 . 1 52 52 LYS HD3 H 1 1.717 0.00 . 1 . . . . A 50 LYS HD3 . 34462 1 619 . 1 . 1 52 52 LYS HE2 H 1 2.971 0.00 . 1 . . . . A 50 LYS HE2 . 34462 1 620 . 1 . 1 52 52 LYS HE3 H 1 2.783 0.00 . 1 . . . . A 50 LYS HE3 . 34462 1 621 . 1 . 1 52 52 LYS C C 13 178.250 0.00 . 1 . . . . A 50 LYS C . 34462 1 622 . 1 . 1 52 52 LYS CA C 13 59.540 0.00 . 1 . . . . A 50 LYS CA . 34462 1 623 . 1 . 1 52 52 LYS CB C 13 32.224 0.00 . 1 . . . . A 50 LYS CB . 34462 1 624 . 1 . 1 52 52 LYS CG C 13 25.387 0.00 . 1 . . . . A 50 LYS CG . 34462 1 625 . 1 . 1 52 52 LYS CD C 13 29.436 0.00 . 1 . . . . A 50 LYS CD . 34462 1 626 . 1 . 1 52 52 LYS CE C 13 42.128 0.00 . 1 . . . . A 50 LYS CE . 34462 1 627 . 1 . 1 52 52 LYS N N 15 120.399 0.00 . 1 . . . . A 50 LYS N . 34462 1 628 . 1 . 1 53 53 ALA H H 1 8.608 0.00 . 1 . . . . A 51 ALA H . 34462 1 629 . 1 . 1 53 53 ALA HA H 1 4.235 0.00 . 1 . . . . A 51 ALA HA . 34462 1 630 . 1 . 1 53 53 ALA HB1 H 1 1.614 0.00 . 1 . . . . A 51 ALA HB1 . 34462 1 631 . 1 . 1 53 53 ALA HB2 H 1 1.614 0.00 . 1 . . . . A 51 ALA HB2 . 34462 1 632 . 1 . 1 53 53 ALA HB3 H 1 1.614 0.00 . 1 . . . . A 51 ALA HB3 . 34462 1 633 . 1 . 1 53 53 ALA C C 13 179.378 0.00 . 1 . . . . A 51 ALA C . 34462 1 634 . 1 . 1 53 53 ALA CA C 13 55.927 0.00 . 1 . . . . A 51 ALA CA . 34462 1 635 . 1 . 1 53 53 ALA CB C 13 18.175 0.00 . 1 . . . . A 51 ALA CB . 34462 1 636 . 1 . 1 53 53 ALA N N 15 122.421 0.00 . 1 . . . . A 51 ALA N . 34462 1 637 . 1 . 1 54 54 VAL H H 1 8.421 0.00 . 1 . . . . A 52 VAL H . 34462 1 638 . 1 . 1 54 54 VAL HA H 1 3.350 0.00 . 1 . . . . A 52 VAL HA . 34462 1 639 . 1 . 1 54 54 VAL HB H 1 2.310 0.00 . 1 . . . . A 52 VAL HB . 34462 1 640 . 1 . 1 54 54 VAL HG11 H 1 0.760 0.00 . 1 . . . . A 52 VAL HG11 . 34462 1 641 . 1 . 1 54 54 VAL HG12 H 1 0.760 0.00 . 1 . . . . A 52 VAL HG12 . 34462 1 642 . 1 . 1 54 54 VAL HG13 H 1 0.760 0.00 . 1 . . . . A 52 VAL HG13 . 34462 1 643 . 1 . 1 54 54 VAL HG21 H 1 0.925 0.00 . 1 . . . . A 52 VAL HG21 . 34462 1 644 . 1 . 1 54 54 VAL HG22 H 1 0.925 0.00 . 1 . . . . A 52 VAL HG22 . 34462 1 645 . 1 . 1 54 54 VAL HG23 H 1 0.925 0.00 . 1 . . . . A 52 VAL HG23 . 34462 1 646 . 1 . 1 54 54 VAL C C 13 177.514 0.00 . 1 . . . . A 52 VAL C . 34462 1 647 . 1 . 1 54 54 VAL CA C 13 66.477 0.00 . 1 . . . . A 52 VAL CA . 34462 1 648 . 1 . 1 54 54 VAL CB C 13 31.219 0.00 . 1 . . . . A 52 VAL CB . 34462 1 649 . 1 . 1 54 54 VAL CG1 C 13 23.609 0.00 . 1 . . . . A 52 VAL CG1 . 34462 1 650 . 1 . 1 54 54 VAL CG2 C 13 23.609 0.00 . 1 . . . . A 52 VAL CG2 . 34462 1 651 . 1 . 1 54 54 VAL N N 15 117.556 0.00 . 1 . . . . A 52 VAL N . 34462 1 652 . 1 . 1 55 55 HIS H H 1 7.430 0.00 . 1 . . . . A 53 HIS H . 34462 1 653 . 1 . 1 55 55 HIS HA H 1 4.518 0.00 . 1 . . . . A 53 HIS HA . 34462 1 654 . 1 . 1 55 55 HIS HB2 H 1 3.437 0.00 . 1 . . . . A 53 HIS HB2 . 34462 1 655 . 1 . 1 55 55 HIS HB3 H 1 3.329 0.00 . 1 . . . . A 53 HIS HB3 . 34462 1 656 . 1 . 1 55 55 HIS HE1 H 1 8.418 0.00 . 1 . . . . A 53 HIS HE1 . 34462 1 657 . 1 . 1 55 55 HIS C C 13 178.503 0.00 . 1 . . . . A 53 HIS C . 34462 1 658 . 1 . 1 55 55 HIS CA C 13 58.742 0.00 . 1 . . . . A 53 HIS CA . 34462 1 659 . 1 . 1 55 55 HIS CB C 13 29.254 0.00 . 1 . . . . A 53 HIS CB . 34462 1 660 . 1 . 1 55 55 HIS CE1 C 13 136.287 0.00 . 1 . . . . A 53 HIS CE1 . 34462 1 661 . 1 . 1 55 55 HIS N N 15 117.024 0.00 . 1 . . . . A 53 HIS N . 34462 1 662 . 1 . 1 56 56 VAL H H 1 8.877 0.00 . 1 . . . . A 54 VAL H . 34462 1 663 . 1 . 1 56 56 VAL HA H 1 3.590 0.00 . 1 . . . . A 54 VAL HA . 34462 1 664 . 1 . 1 56 56 VAL HB H 1 2.127 0.00 . 1 . . . . A 54 VAL HB . 34462 1 665 . 1 . 1 56 56 VAL HG11 H 1 0.910 0.00 . 1 . . . . A 54 VAL HG11 . 34462 1 666 . 1 . 1 56 56 VAL HG12 H 1 0.910 0.00 . 1 . . . . A 54 VAL HG12 . 34462 1 667 . 1 . 1 56 56 VAL HG13 H 1 0.910 0.00 . 1 . . . . A 54 VAL HG13 . 34462 1 668 . 1 . 1 56 56 VAL HG21 H 1 0.995 0.00 . 1 . . . . A 54 VAL HG21 . 34462 1 669 . 1 . 1 56 56 VAL HG22 H 1 0.995 0.00 . 1 . . . . A 54 VAL HG22 . 34462 1 670 . 1 . 1 56 56 VAL HG23 H 1 0.995 0.00 . 1 . . . . A 54 VAL HG23 . 34462 1 671 . 1 . 1 56 56 VAL C C 13 176.783 0.00 . 1 . . . . A 54 VAL C . 34462 1 672 . 1 . 1 56 56 VAL CA C 13 66.100 0.00 . 1 . . . . A 54 VAL CA . 34462 1 673 . 1 . 1 56 56 VAL CB C 13 32.863 0.00 . 1 . . . . A 54 VAL CB . 34462 1 674 . 1 . 1 56 56 VAL CG1 C 13 21.544 0.00 . 1 . . . . A 54 VAL CG1 . 34462 1 675 . 1 . 1 56 56 VAL CG2 C 13 21.544 0.00 . 1 . . . . A 54 VAL CG2 . 34462 1 676 . 1 . 1 56 56 VAL N N 15 121.391 0.00 . 1 . . . . A 54 VAL N . 34462 1 677 . 1 . 1 57 57 LEU H H 1 8.329 0.00 . 1 . . . . A 55 LEU H . 34462 1 678 . 1 . 1 57 57 LEU HA H 1 4.120 0.00 . 1 . . . . A 55 LEU HA . 34462 1 679 . 1 . 1 57 57 LEU HB2 H 1 1.605 0.00 . 1 . . . . A 55 LEU HB2 . 34462 1 680 . 1 . 1 57 57 LEU HB3 H 1 1.264 0.00 . 1 . . . . A 55 LEU HB3 . 34462 1 681 . 1 . 1 57 57 LEU HG H 1 1.871 0.00 . 1 . . . . A 55 LEU HG . 34462 1 682 . 1 . 1 57 57 LEU HD11 H 1 0.681 0.00 . 1 . . . . A 55 LEU HD11 . 34462 1 683 . 1 . 1 57 57 LEU HD12 H 1 0.681 0.00 . 1 . . . . A 55 LEU HD12 . 34462 1 684 . 1 . 1 57 57 LEU HD13 H 1 0.681 0.00 . 1 . . . . A 55 LEU HD13 . 34462 1 685 . 1 . 1 57 57 LEU HD21 H 1 0.474 0.00 . 1 . . . . A 55 LEU HD21 . 34462 1 686 . 1 . 1 57 57 LEU HD22 H 1 0.474 0.00 . 1 . . . . A 55 LEU HD22 . 34462 1 687 . 1 . 1 57 57 LEU HD23 H 1 0.474 0.00 . 1 . . . . A 55 LEU HD23 . 34462 1 688 . 1 . 1 57 57 LEU C C 13 173.902 0.00 . 1 . . . . A 55 LEU C . 34462 1 689 . 1 . 1 57 57 LEU CA C 13 53.783 0.00 . 1 . . . . A 55 LEU CA . 34462 1 690 . 1 . 1 57 57 LEU CB C 13 41.183 0.00 . 1 . . . . A 55 LEU CB . 34462 1 691 . 1 . 1 57 57 LEU CG C 13 26.700 0.00 . 1 . . . . A 55 LEU CG . 34462 1 692 . 1 . 1 57 57 LEU CD1 C 13 23.182 0.00 . 1 . . . . A 55 LEU CD1 . 34462 1 693 . 1 . 1 57 57 LEU CD2 C 13 23.182 0.00 . 1 . . . . A 55 LEU CD2 . 34462 1 694 . 1 . 1 57 57 LEU N N 15 113.908 0.00 . 1 . . . . A 55 LEU N . 34462 1 695 . 1 . 1 58 58 GLU H H 1 7.483 0.00 . 1 . . . . A 56 GLU H . 34462 1 696 . 1 . 1 58 58 GLU HA H 1 3.891 0.00 . 1 . . . . A 56 GLU HA . 34462 1 697 . 1 . 1 58 58 GLU HB2 H 1 2.112 0.00 . 1 . . . . A 56 GLU HB2 . 34462 1 698 . 1 . 1 58 58 GLU HB3 H 1 2.058 0.00 . 1 . . . . A 56 GLU HB3 . 34462 1 699 . 1 . 1 58 58 GLU HG2 H 1 2.186 0.00 . 1 . . . . A 56 GLU HG2 . 34462 1 700 . 1 . 1 58 58 GLU HG3 H 1 2.080 0.00 . 1 . . . . A 56 GLU HG3 . 34462 1 701 . 1 . 1 58 58 GLU C C 13 175.991 0.00 . 1 . . . . A 56 GLU C . 34462 1 702 . 1 . 1 58 58 GLU CA C 13 56.695 0.00 . 1 . . . . A 56 GLU CA . 34462 1 703 . 1 . 1 58 58 GLU CB C 13 27.084 0.00 . 1 . . . . A 56 GLU CB . 34462 1 704 . 1 . 1 58 58 GLU CG C 13 36.909 0.00 . 1 . . . . A 56 GLU CG . 34462 1 705 . 1 . 1 58 58 GLU N N 15 115.646 0.00 . 1 . . . . A 56 GLU N . 34462 1 706 . 1 . 1 59 59 LEU H H 1 8.249 0.00 . 1 . . . . A 57 LEU H . 34462 1 707 . 1 . 1 59 59 LEU HA H 1 4.334 0.00 . 1 . . . . A 57 LEU HA . 34462 1 708 . 1 . 1 59 59 LEU HB2 H 1 1.486 0.00 . 1 . . . . A 57 LEU HB2 . 34462 1 709 . 1 . 1 59 59 LEU HB3 H 1 1.399 0.00 . 1 . . . . A 57 LEU HB3 . 34462 1 710 . 1 . 1 59 59 LEU HG H 1 1.429 0.00 . 1 . . . . A 57 LEU HG . 34462 1 711 . 1 . 1 59 59 LEU HD11 H 1 0.257 0.00 . 1 . . . . A 57 LEU HD11 . 34462 1 712 . 1 . 1 59 59 LEU HD12 H 1 0.257 0.00 . 1 . . . . A 57 LEU HD12 . 34462 1 713 . 1 . 1 59 59 LEU HD13 H 1 0.257 0.00 . 1 . . . . A 57 LEU HD13 . 34462 1 714 . 1 . 1 59 59 LEU HD21 H 1 0.354 0.00 . 1 . . . . A 57 LEU HD21 . 34462 1 715 . 1 . 1 59 59 LEU HD22 H 1 0.354 0.00 . 1 . . . . A 57 LEU HD22 . 34462 1 716 . 1 . 1 59 59 LEU HD23 H 1 0.354 0.00 . 1 . . . . A 57 LEU HD23 . 34462 1 717 . 1 . 1 59 59 LEU C C 13 175.898 0.00 . 1 . . . . A 57 LEU C . 34462 1 718 . 1 . 1 59 59 LEU CA C 13 53.139 0.00 . 1 . . . . A 57 LEU CA . 34462 1 719 . 1 . 1 59 59 LEU CB C 13 42.333 0.00 . 1 . . . . A 57 LEU CB . 34462 1 720 . 1 . 1 59 59 LEU CG C 13 26.073 0.00 . 1 . . . . A 57 LEU CG . 34462 1 721 . 1 . 1 59 59 LEU CD1 C 13 24.276 0.00 . 1 . . . . A 57 LEU CD1 . 34462 1 722 . 1 . 1 59 59 LEU CD2 C 13 24.276 0.00 . 1 . . . . A 57 LEU CD2 . 34462 1 723 . 1 . 1 59 59 LEU N N 15 116.871 0.00 . 1 . . . . A 57 LEU N . 34462 1 724 . 1 . 1 60 60 ASN H H 1 8.957 0.00 . 1 . . . . A 58 ASN H . 34462 1 725 . 1 . 1 60 60 ASN HA H 1 4.985 0.00 . 1 . . . . A 58 ASN HA . 34462 1 726 . 1 . 1 60 60 ASN HB2 H 1 2.742 0.00 . 1 . . . . A 58 ASN HB2 . 34462 1 727 . 1 . 1 60 60 ASN HB3 H 1 2.938 0.00 . 1 . . . . A 58 ASN HB3 . 34462 1 728 . 1 . 1 60 60 ASN HD21 H 1 7.812 0.00 . 1 . . . . A 58 ASN HD21 . 34462 1 729 . 1 . 1 60 60 ASN HD22 H 1 7.024 0.00 . 1 . . . . A 58 ASN HD22 . 34462 1 730 . 1 . 1 60 60 ASN C C 13 175.639 0.00 . 1 . . . . A 58 ASN C . 34462 1 731 . 1 . 1 60 60 ASN CA C 13 50.673 0.00 . 1 . . . . A 58 ASN CA . 34462 1 732 . 1 . 1 60 60 ASN CB C 13 39.130 0.00 . 1 . . . . A 58 ASN CB . 34462 1 733 . 1 . 1 60 60 ASN N N 15 120.681 0.00 . 1 . . . . A 58 ASN N . 34462 1 734 . 1 . 1 60 60 ASN ND2 N 15 114.237 0.00 . 1 . . . . A 58 ASN ND2 . 34462 1 735 . 1 . 1 61 61 PRO HA H 1 4.091 0.00 . 1 . . . . A 59 PRO HA . 34462 1 736 . 1 . 1 61 61 PRO HB2 H 1 1.977 0.00 . 1 . . . . A 59 PRO HB2 . 34462 1 737 . 1 . 1 61 61 PRO HB3 H 1 2.321 0.00 . 1 . . . . A 59 PRO HB3 . 34462 1 738 . 1 . 1 61 61 PRO HG2 H 1 2.152 0.00 . 1 . . . . A 59 PRO HG2 . 34462 1 739 . 1 . 1 61 61 PRO HG3 H 1 1.962 0.00 . 1 . . . . A 59 PRO HG3 . 34462 1 740 . 1 . 1 61 61 PRO HD2 H 1 3.848 0.00 . 1 . . . . A 59 PRO HD2 . 34462 1 741 . 1 . 1 61 61 PRO HD3 H 1 3.957 0.00 . 1 . . . . A 59 PRO HD3 . 34462 1 742 . 1 . 1 61 61 PRO C C 13 178.714 0.00 . 1 . . . . A 59 PRO C . 34462 1 743 . 1 . 1 61 61 PRO CA C 13 65.226 0.00 . 1 . . . . A 59 PRO CA . 34462 1 744 . 1 . 1 61 61 PRO CB C 13 31.699 0.00 . 1 . . . . A 59 PRO CB . 34462 1 745 . 1 . 1 61 61 PRO CG C 13 27.807 0.00 . 1 . . . . A 59 PRO CG . 34462 1 746 . 1 . 1 61 61 PRO CD C 13 50.672 0.00 . 1 . . . . A 59 PRO CD . 34462 1 747 . 1 . 1 62 62 GLN H H 1 8.683 0.00 . 1 . . . . A 60 GLN H . 34462 1 748 . 1 . 1 62 62 GLN HA H 1 4.108 0.00 . 1 . . . . A 60 GLN HA . 34462 1 749 . 1 . 1 62 62 GLN HB2 H 1 2.063 0.00 . 1 . . . . A 60 GLN HB2 . 34462 1 750 . 1 . 1 62 62 GLN HB3 H 1 1.976 0.00 . 1 . . . . A 60 GLN HB3 . 34462 1 751 . 1 . 1 62 62 GLN HG2 H 1 2.435 0.00 . 1 . . . . A 60 GLN HG2 . 34462 1 752 . 1 . 1 62 62 GLN HG3 H 1 2.380 0.00 . 1 . . . . A 60 GLN HG3 . 34462 1 753 . 1 . 1 62 62 GLN HE21 H 1 7.588 0.00 . 1 . . . . A 60 GLN HE21 . 34462 1 754 . 1 . 1 62 62 GLN HE22 H 1 6.908 0.00 . 1 . . . . A 60 GLN HE22 . 34462 1 755 . 1 . 1 62 62 GLN C C 13 176.643 0.00 . 1 . . . . A 60 GLN C . 34462 1 756 . 1 . 1 62 62 GLN CA C 13 57.898 0.00 . 1 . . . . A 60 GLN CA . 34462 1 757 . 1 . 1 62 62 GLN CB C 13 27.987 0.00 . 1 . . . . A 60 GLN CB . 34462 1 758 . 1 . 1 62 62 GLN CG C 13 33.989 0.00 . 1 . . . . A 60 GLN CG . 34462 1 759 . 1 . 1 62 62 GLN N N 15 116.267 0.00 . 1 . . . . A 60 GLN N . 34462 1 760 . 1 . 1 62 62 GLN NE2 N 15 112.312 0.00 . 1 . . . . A 60 GLN NE2 . 34462 1 761 . 1 . 1 63 63 ASP H H 1 8.373 0.00 . 1 . . . . A 61 ASP H . 34462 1 762 . 1 . 1 63 63 ASP HA H 1 4.898 0.00 . 1 . . . . A 61 ASP HA . 34462 1 763 . 1 . 1 63 63 ASP HB2 H 1 3.078 0.00 . 1 . . . . A 61 ASP HB2 . 34462 1 764 . 1 . 1 63 63 ASP HB3 H 1 2.945 0.00 . 1 . . . . A 61 ASP HB3 . 34462 1 765 . 1 . 1 63 63 ASP C C 13 176.704 0.00 . 1 . . . . A 61 ASP C . 34462 1 766 . 1 . 1 63 63 ASP CA C 13 54.625 0.00 . 1 . . . . A 61 ASP CA . 34462 1 767 . 1 . 1 63 63 ASP CB C 13 41.824 0.00 . 1 . . . . A 61 ASP CB . 34462 1 768 . 1 . 1 63 63 ASP N N 15 117.019 0.00 . 1 . . . . A 61 ASP N . 34462 1 769 . 1 . 1 64 64 ILE H H 1 7.561 0.00 . 1 . . . . A 62 ILE H . 34462 1 770 . 1 . 1 64 64 ILE HA H 1 3.872 0.00 . 1 . . . . A 62 ILE HA . 34462 1 771 . 1 . 1 64 64 ILE HB H 1 2.076 0.00 . 1 . . . . A 62 ILE HB . 34462 1 772 . 1 . 1 64 64 ILE HG12 H 1 1.803 0.00 . 1 . . . . A 62 ILE HG12 . 34462 1 773 . 1 . 1 64 64 ILE HG13 H 1 0.758 0.00 . 1 . . . . A 62 ILE HG13 . 34462 1 774 . 1 . 1 64 64 ILE HG21 H 1 0.958 0.00 . 1 . . . . A 62 ILE HG21 . 34462 1 775 . 1 . 1 64 64 ILE HG22 H 1 0.958 0.00 . 1 . . . . A 62 ILE HG22 . 34462 1 776 . 1 . 1 64 64 ILE HG23 H 1 0.958 0.00 . 1 . . . . A 62 ILE HG23 . 34462 1 777 . 1 . 1 64 64 ILE HD11 H 1 0.919 0.00 . 1 . . . . A 62 ILE HD11 . 34462 1 778 . 1 . 1 64 64 ILE HD12 H 1 0.919 0.00 . 1 . . . . A 62 ILE HD12 . 34462 1 779 . 1 . 1 64 64 ILE HD13 H 1 0.919 0.00 . 1 . . . . A 62 ILE HD13 . 34462 1 780 . 1 . 1 64 64 ILE C C 13 174.778 0.00 . 1 . . . . A 62 ILE C . 34462 1 781 . 1 . 1 64 64 ILE CA C 13 68.776 0.00 . 1 . . . . A 62 ILE CA . 34462 1 782 . 1 . 1 64 64 ILE CB C 13 36.500 0.00 . 1 . . . . A 62 ILE CB . 34462 1 783 . 1 . 1 64 64 ILE CG1 C 13 31.786 0.00 . 1 . . . . A 62 ILE CG1 . 34462 1 784 . 1 . 1 64 64 ILE CG2 C 13 17.481 0.00 . 1 . . . . A 62 ILE CG2 . 34462 1 785 . 1 . 1 64 64 ILE CD1 C 13 13.694 0.00 . 1 . . . . A 62 ILE CD1 . 34462 1 786 . 1 . 1 64 64 ILE N N 15 120.498 0.00 . 1 . . . . A 62 ILE N . 34462 1 787 . 1 . 1 65 65 PRO HA H 1 4.458 0.00 . 1 . . . . A 63 PRO HA . 34462 1 788 . 1 . 1 65 65 PRO HB2 H 1 1.905 0.00 . 1 . . . . A 63 PRO HB2 . 34462 1 789 . 1 . 1 65 65 PRO HB3 H 1 2.469 0.00 . 1 . . . . A 63 PRO HB3 . 34462 1 790 . 1 . 1 65 65 PRO HG2 H 1 2.163 0.00 . 1 . . . . A 63 PRO HG2 . 34462 1 791 . 1 . 1 65 65 PRO HG3 H 1 2.003 0.00 . 1 . . . . A 63 PRO HG3 . 34462 1 792 . 1 . 1 65 65 PRO HD2 H 1 2.937 0.00 . 1 . . . . A 63 PRO HD2 . 34462 1 793 . 1 . 1 65 65 PRO HD3 H 1 3.717 0.00 . 1 . . . . A 63 PRO HD3 . 34462 1 794 . 1 . 1 65 65 PRO C C 13 178.070 0.00 . 1 . . . . A 63 PRO C . 34462 1 795 . 1 . 1 65 65 PRO CA C 13 66.499 0.00 . 1 . . . . A 63 PRO CA . 34462 1 796 . 1 . 1 65 65 PRO CB C 13 30.903 0.00 . 1 . . . . A 63 PRO CB . 34462 1 797 . 1 . 1 65 65 PRO CG C 13 28.365 0.00 . 1 . . . . A 63 PRO CG . 34462 1 798 . 1 . 1 65 65 PRO CD C 13 49.898 0.00 . 1 . . . . A 63 PRO CD . 34462 1 799 . 1 . 1 66 66 LYS H H 1 7.240 0.00 . 1 . . . . A 64 LYS H . 34462 1 800 . 1 . 1 66 66 LYS HA H 1 3.966 0.00 . 1 . . . . A 64 LYS HA . 34462 1 801 . 1 . 1 66 66 LYS HB2 H 1 1.602 0.00 . 1 . . . . A 64 LYS HB2 . 34462 1 802 . 1 . 1 66 66 LYS HB3 H 1 1.708 0.00 . 1 . . . . A 64 LYS HB3 . 34462 1 803 . 1 . 1 66 66 LYS HG2 H 1 1.159 0.00 . 1 . . . . A 64 LYS HG2 . 34462 1 804 . 1 . 1 66 66 LYS HG3 H 1 0.930 0.00 . 1 . . . . A 64 LYS HG3 . 34462 1 805 . 1 . 1 66 66 LYS HD3 H 1 1.445 0.00 . 1 . . . . A 64 LYS HD3 . 34462 1 806 . 1 . 1 66 66 LYS HE3 H 1 2.761 0.00 . 1 . . . . A 64 LYS HE3 . 34462 1 807 . 1 . 1 66 66 LYS C C 13 176.691 0.00 . 1 . . . . A 64 LYS C . 34462 1 808 . 1 . 1 66 66 LYS CA C 13 58.099 0.00 . 1 . . . . A 64 LYS CA . 34462 1 809 . 1 . 1 66 66 LYS CB C 13 32.186 0.00 . 1 . . . . A 64 LYS CB . 34462 1 810 . 1 . 1 66 66 LYS CG C 13 24.584 0.00 . 1 . . . . A 64 LYS CG . 34462 1 811 . 1 . 1 66 66 LYS CD C 13 29.420 0.00 . 1 . . . . A 64 LYS CD . 34462 1 812 . 1 . 1 66 66 LYS CE C 13 41.964 0.00 . 1 . . . . A 64 LYS CE . 34462 1 813 . 1 . 1 66 66 LYS N N 15 115.058 0.00 . 1 . . . . A 64 LYS N . 34462 1 814 . 1 . 1 67 67 TYR H H 1 7.501 0.00 . 1 . . . . A 65 TYR H . 34462 1 815 . 1 . 1 67 67 TYR HA H 1 4.323 0.00 . 1 . . . . A 65 TYR HA . 34462 1 816 . 1 . 1 67 67 TYR HB2 H 1 2.164 0.00 . 1 . . . . A 65 TYR HB2 . 34462 1 817 . 1 . 1 67 67 TYR HB3 H 1 2.393 0.00 . 1 . . . . A 65 TYR HB3 . 34462 1 818 . 1 . 1 67 67 TYR HD1 H 1 6.810 0.00 . 3 . . . . A 65 TYR HD1 . 34462 1 819 . 1 . 1 67 67 TYR HD2 H 1 6.810 0.00 . 3 . . . . A 65 TYR HD2 . 34462 1 820 . 1 . 1 67 67 TYR HE1 H 1 6.627 0.00 . 3 . . . . A 65 TYR HE1 . 34462 1 821 . 1 . 1 67 67 TYR HE2 H 1 6.627 0.00 . 3 . . . . A 65 TYR HE2 . 34462 1 822 . 1 . 1 67 67 TYR C C 13 175.522 0.00 . 1 . . . . A 65 TYR C . 34462 1 823 . 1 . 1 67 67 TYR CA C 13 59.866 0.00 . 1 . . . . A 65 TYR CA . 34462 1 824 . 1 . 1 67 67 TYR CB C 13 40.815 0.00 . 1 . . . . A 65 TYR CB . 34462 1 825 . 1 . 1 67 67 TYR CD1 C 13 132.450 0.00 . 1 . . . . A 65 TYR CD1 . 34462 1 826 . 1 . 1 67 67 TYR CE1 C 13 117.887 0.00 . 1 . . . . A 65 TYR CE1 . 34462 1 827 . 1 . 1 67 67 TYR N N 15 113.860 0.00 . 1 . . . . A 65 TYR N . 34462 1 828 . 1 . 1 68 68 PHE H H 1 8.390 0.00 . 1 . . . . A 66 PHE H . 34462 1 829 . 1 . 1 68 68 PHE HA H 1 4.334 0.00 . 1 . . . . A 66 PHE HA . 34462 1 830 . 1 . 1 68 68 PHE HB2 H 1 2.166 0.00 . 1 . . . . A 66 PHE HB2 . 34462 1 831 . 1 . 1 68 68 PHE HB3 H 1 2.296 0.00 . 1 . . . . A 66 PHE HB3 . 34462 1 832 . 1 . 1 68 68 PHE HD1 H 1 6.627 0.00 . 3 . . . . A 66 PHE HD1 . 34462 1 833 . 1 . 1 68 68 PHE HD2 H 1 6.627 0.00 . 3 . . . . A 66 PHE HD2 . 34462 1 834 . 1 . 1 68 68 PHE HE1 H 1 5.849 0.00 . 3 . . . . A 66 PHE HE1 . 34462 1 835 . 1 . 1 68 68 PHE HE2 H 1 5.849 0.00 . 3 . . . . A 66 PHE HE2 . 34462 1 836 . 1 . 1 68 68 PHE HZ H 1 6.350 0.00 . 1 . . . . A 66 PHE HZ . 34462 1 837 . 1 . 1 68 68 PHE C C 13 173.689 0.00 . 1 . . . . A 66 PHE C . 34462 1 838 . 1 . 1 68 68 PHE CA C 13 58.962 0.00 . 1 . . . . A 66 PHE CA . 34462 1 839 . 1 . 1 68 68 PHE CB C 13 39.974 0.00 . 1 . . . . A 66 PHE CB . 34462 1 840 . 1 . 1 68 68 PHE CD2 C 13 131.979 0.00 . 1 . . . . A 66 PHE CD2 . 34462 1 841 . 1 . 1 68 68 PHE CE2 C 13 130.112 0.00 . 1 . . . . A 66 PHE CE2 . 34462 1 842 . 1 . 1 68 68 PHE CZ C 13 128.410 0.00 . 1 . . . . A 66 PHE CZ . 34462 1 843 . 1 . 1 68 68 PHE N N 15 114.118 0.00 . 1 . . . . A 66 PHE N . 34462 1 844 . 1 . 1 69 69 PHE H H 1 7.320 0.00 . 1 . . . . A 67 PHE H . 34462 1 845 . 1 . 1 69 69 PHE HA H 1 4.470 0.00 . 1 . . . . A 67 PHE HA . 34462 1 846 . 1 . 1 69 69 PHE HB2 H 1 3.305 0.00 . 1 . . . . A 67 PHE HB2 . 34462 1 847 . 1 . 1 69 69 PHE HB3 H 1 2.722 0.00 . 1 . . . . A 67 PHE HB3 . 34462 1 848 . 1 . 1 69 69 PHE HD1 H 1 7.020 0.00 . 3 . . . . A 67 PHE HD1 . 34462 1 849 . 1 . 1 69 69 PHE HD2 H 1 7.020 0.00 . 3 . . . . A 67 PHE HD2 . 34462 1 850 . 1 . 1 69 69 PHE HE1 H 1 7.180 0.00 . 3 . . . . A 67 PHE HE1 . 34462 1 851 . 1 . 1 69 69 PHE HE2 H 1 7.180 0.00 . 3 . . . . A 67 PHE HE2 . 34462 1 852 . 1 . 1 69 69 PHE C C 13 175.462 0.00 . 1 . . . . A 67 PHE C . 34462 1 853 . 1 . 1 69 69 PHE CA C 13 55.782 0.00 . 1 . . . . A 67 PHE CA . 34462 1 854 . 1 . 1 69 69 PHE CB C 13 38.947 0.00 . 1 . . . . A 67 PHE CB . 34462 1 855 . 1 . 1 69 69 PHE CD1 C 13 131.950 0.00 . 1 . . . . A 67 PHE CD1 . 34462 1 856 . 1 . 1 69 69 PHE CE1 C 13 130.882 0.00 . 1 . . . . A 67 PHE CE1 . 34462 1 857 . 1 . 1 69 69 PHE N N 15 116.208 0.00 . 1 . . . . A 67 PHE N . 34462 1 858 . 1 . 1 70 70 ASN H H 1 8.673 0.00 . 1 . . . . A 68 ASN H . 34462 1 859 . 1 . 1 70 70 ASN HA H 1 4.729 0.00 . 1 . . . . A 68 ASN HA . 34462 1 860 . 1 . 1 70 70 ASN HB2 H 1 2.681 0.00 . 1 . . . . A 68 ASN HB2 . 34462 1 861 . 1 . 1 70 70 ASN HB3 H 1 3.044 0.00 . 1 . . . . A 68 ASN HB3 . 34462 1 862 . 1 . 1 70 70 ASN HD21 H 1 6.811 0.00 . 1 . . . . A 68 ASN HD21 . 34462 1 863 . 1 . 1 70 70 ASN HD22 H 1 7.335 0.00 . 1 . . . . A 68 ASN HD22 . 34462 1 864 . 1 . 1 70 70 ASN C C 13 173.970 0.00 . 1 . . . . A 68 ASN C . 34462 1 865 . 1 . 1 70 70 ASN CA C 13 52.651 0.00 . 1 . . . . A 68 ASN CA . 34462 1 866 . 1 . 1 70 70 ASN CB C 13 38.246 0.00 . 1 . . . . A 68 ASN CB . 34462 1 867 . 1 . 1 70 70 ASN N N 15 121.231 0.00 . 1 . . . . A 68 ASN N . 34462 1 868 . 1 . 1 70 70 ASN ND2 N 15 111.799 0.00 . 1 . . . . A 68 ASN ND2 . 34462 1 869 . 1 . 1 71 71 ALA H H 1 8.252 0.00 . 1 . . . . A 69 ALA H . 34462 1 870 . 1 . 1 71 71 ALA HA H 1 4.342 0.00 . 1 . . . . A 69 ALA HA . 34462 1 871 . 1 . 1 71 71 ALA HB1 H 1 1.345 0.00 . 1 . . . . A 69 ALA HB1 . 34462 1 872 . 1 . 1 71 71 ALA HB2 H 1 1.345 0.00 . 1 . . . . A 69 ALA HB2 . 34462 1 873 . 1 . 1 71 71 ALA HB3 H 1 1.345 0.00 . 1 . . . . A 69 ALA HB3 . 34462 1 874 . 1 . 1 71 71 ALA C C 13 177.323 0.00 . 1 . . . . A 69 ALA C . 34462 1 875 . 1 . 1 71 71 ALA CA C 13 52.453 0.00 . 1 . . . . A 69 ALA CA . 34462 1 876 . 1 . 1 71 71 ALA CB C 13 19.568 0.00 . 1 . . . . A 69 ALA CB . 34462 1 877 . 1 . 1 71 71 ALA N N 15 127.331 0.00 . 1 . . . . A 69 ALA N . 34462 1 878 . 1 . 1 72 72 LYS H H 1 8.305 0.00 . 1 . . . . A 70 LYS H . 34462 1 879 . 1 . 1 72 72 LYS HA H 1 4.285 0.00 . 1 . . . . A 70 LYS HA . 34462 1 880 . 1 . 1 72 72 LYS HB2 H 1 1.534 0.00 . 1 . . . . A 70 LYS HB2 . 34462 1 881 . 1 . 1 72 72 LYS HB3 H 1 1.709 0.00 . 1 . . . . A 70 LYS HB3 . 34462 1 882 . 1 . 1 72 72 LYS HG2 H 1 1.296 0.00 . 1 . . . . A 70 LYS HG2 . 34462 1 883 . 1 . 1 72 72 LYS HG3 H 1 1.327 0.00 . 1 . . . . A 70 LYS HG3 . 34462 1 884 . 1 . 1 72 72 LYS HD3 H 1 1.601 0.00 . 1 . . . . A 70 LYS HD3 . 34462 1 885 . 1 . 1 72 72 LYS HE3 H 1 2.921 0.00 . 1 . . . . A 70 LYS HE3 . 34462 1 886 . 1 . 1 72 72 LYS C C 13 176.173 0.00 . 1 . . . . A 70 LYS C . 34462 1 887 . 1 . 1 72 72 LYS CA C 13 56.256 0.00 . 1 . . . . A 70 LYS CA . 34462 1 888 . 1 . 1 72 72 LYS CB C 13 33.194 0.00 . 1 . . . . A 70 LYS CB . 34462 1 889 . 1 . 1 72 72 LYS CG C 13 24.947 0.00 . 1 . . . . A 70 LYS CG . 34462 1 890 . 1 . 1 72 72 LYS CD C 13 29.157 0.00 . 1 . . . . A 70 LYS CD . 34462 1 891 . 1 . 1 72 72 LYS CE C 13 41.961 0.00 . 1 . . . . A 70 LYS CE . 34462 1 892 . 1 . 1 72 72 LYS N N 15 121.531 0.00 . 1 . . . . A 70 LYS N . 34462 1 893 . 1 . 1 73 73 VAL H H 1 8.177 0.00 . 1 . . . . A 71 VAL H . 34462 1 894 . 1 . 1 73 73 VAL HA H 1 4.098 0.00 . 1 . . . . A 71 VAL HA . 34462 1 895 . 1 . 1 73 73 VAL HB H 1 2.000 0.00 . 1 . . . . A 71 VAL HB . 34462 1 896 . 1 . 1 73 73 VAL HG11 H 1 0.868 0.00 . 1 . . . . A 71 VAL HG11 . 34462 1 897 . 1 . 1 73 73 VAL HG12 H 1 0.868 0.00 . 1 . . . . A 71 VAL HG12 . 34462 1 898 . 1 . 1 73 73 VAL HG13 H 1 0.868 0.00 . 1 . . . . A 71 VAL HG13 . 34462 1 899 . 1 . 1 73 73 VAL HG21 H 1 0.898 0.00 . 1 . . . . A 71 VAL HG21 . 34462 1 900 . 1 . 1 73 73 VAL HG22 H 1 0.898 0.00 . 1 . . . . A 71 VAL HG22 . 34462 1 901 . 1 . 1 73 73 VAL HG23 H 1 0.898 0.00 . 1 . . . . A 71 VAL HG23 . 34462 1 902 . 1 . 1 73 73 VAL C C 13 175.105 0.00 . 1 . . . . A 71 VAL C . 34462 1 903 . 1 . 1 73 73 VAL CA C 13 62.240 0.00 . 1 . . . . A 71 VAL CA . 34462 1 904 . 1 . 1 73 73 VAL CB C 13 32.729 0.00 . 1 . . . . A 71 VAL CB . 34462 1 905 . 1 . 1 73 73 VAL CG1 C 13 20.764 0.00 . 1 . . . . A 71 VAL CG1 . 34462 1 906 . 1 . 1 73 73 VAL N N 15 122.228 0.00 . 1 . . . . A 71 VAL N . 34462 1 907 . 1 . 1 74 74 HIS H H 1 8.003 0.00 . 1 . . . . A 72 HIS H . 34462 1 908 . 1 . 1 74 74 HIS HA H 1 4.440 0.00 . 1 . . . . A 72 HIS HA . 34462 1 909 . 1 . 1 74 74 HIS HB2 H 1 3.178 0.00 . 1 . . . . A 72 HIS HB2 . 34462 1 910 . 1 . 1 74 74 HIS HB3 H 1 3.060 0.00 . 1 . . . . A 72 HIS HB3 . 34462 1 911 . 1 . 1 74 74 HIS HE1 H 1 8.293 0.00 . 1 . . . . A 72 HIS HE1 . 34462 1 912 . 1 . 1 74 74 HIS C C 13 178.879 0.00 . 1 . . . . A 72 HIS C . 34462 1 913 . 1 . 1 74 74 HIS CA C 13 56.867 0.00 . 1 . . . . A 72 HIS CA . 34462 1 914 . 1 . 1 74 74 HIS CB C 13 30.344 0.00 . 1 . . . . A 72 HIS CB . 34462 1 915 . 1 . 1 74 74 HIS CE1 C 13 137.292 0.00 . 1 . . . . A 72 HIS CE1 . 34462 1 916 . 1 . 1 74 74 HIS N N 15 126.994 0.00 . 1 . . . . A 72 HIS N . 34462 1 stop_ save_