data_31184 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31184 _Entry.Title ; Solution NMR structure of S89, a dynamic engineered calcium-binding protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-03 _Entry.Accession_date 2024-07-03 _Entry.Last_release_date 2024-07-31 _Entry.Original_release_date 2024-07-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 A. Guo A. B. . . 31184 2 T. Kortemme T. . . . 31184 3 M. Kelly M. J.S. . . 31184 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Calcium binding' . 31184 'DE NOVO PROTEIN' . 31184 Dynamic . 31184 'EF hand' . 31184 Troponin . 31184 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31184 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 297 31184 '15N chemical shifts' 92 31184 '1H chemical shifts' 635 31184 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-05-29 . original BMRB . 31184 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9CIE 'BMRB Entry Tracking System' 31184 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31184 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 40403060 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Deep learning-guided design of dynamic proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Science _Citation.Journal_name_full 'Science (New York, N.Y.)' _Citation.Journal_volume 388 _Citation.Journal_issue 6749 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1095-9203 _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 eadr7094 _Citation.Page_last eadr7094 _Citation.Year 2025 _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 Amy Guo A. B. . . 31184 1 2 Deniz Akpinaroglu D. . . . 31184 1 3 Christina Stephens C. A. . . 31184 1 4 Michael Grabe M. . . . 31184 1 5 Colin Smith C. A. . . 31184 1 6 Mark Kelly . . . . 31184 1 7 Tanja Kortemme T. . . . 31184 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31184 _Assembly.ID 1 _Assembly.Name 'Dynamic engineered calcium-binding protein S89' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31184 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31184 _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 ; ASMEDLQAEARAFLSEEMIA EFKAAFDMFDADGGGDISYK AVGTVFRMLGINPSKEVLDY LKEKIDVDGSGTIDFEEFLV LMVYSMKQDA ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9982.263 _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 5 ALA . 31184 1 2 6 SER . 31184 1 3 7 MET . 31184 1 4 8 GLU . 31184 1 5 9 ASP . 31184 1 6 10 LEU . 31184 1 7 11 GLN . 31184 1 8 12 ALA . 31184 1 9 13 GLU . 31184 1 10 14 ALA . 31184 1 11 15 ARG . 31184 1 12 16 ALA . 31184 1 13 17 PHE . 31184 1 14 18 LEU . 31184 1 15 19 SER . 31184 1 16 20 GLU . 31184 1 17 21 GLU . 31184 1 18 22 MET . 31184 1 19 23 ILE . 31184 1 20 24 ALA . 31184 1 21 25 GLU . 31184 1 22 26 PHE . 31184 1 23 27 LYS . 31184 1 24 28 ALA . 31184 1 25 29 ALA . 31184 1 26 30 PHE . 31184 1 27 31 ASP . 31184 1 28 32 MET . 31184 1 29 33 PHE . 31184 1 30 34 ASP . 31184 1 31 35 ALA . 31184 1 32 36 ASP . 31184 1 33 37 GLY . 31184 1 34 38 GLY . 31184 1 35 39 GLY . 31184 1 36 40 ASP . 31184 1 37 41 ILE . 31184 1 38 42 SER . 31184 1 39 43 TYR . 31184 1 40 44 LYS . 31184 1 41 45 ALA . 31184 1 42 46 VAL . 31184 1 43 47 GLY . 31184 1 44 48 THR . 31184 1 45 49 VAL . 31184 1 46 50 PHE . 31184 1 47 51 ARG . 31184 1 48 52 MET . 31184 1 49 53 LEU . 31184 1 50 54 GLY . 31184 1 51 55 ILE . 31184 1 52 56 ASN . 31184 1 53 57 PRO . 31184 1 54 58 SER . 31184 1 55 59 LYS . 31184 1 56 60 GLU . 31184 1 57 61 VAL . 31184 1 58 62 LEU . 31184 1 59 63 ASP . 31184 1 60 64 TYR . 31184 1 61 65 LEU . 31184 1 62 66 LYS . 31184 1 63 67 GLU . 31184 1 64 68 LYS . 31184 1 65 69 ILE . 31184 1 66 70 ASP . 31184 1 67 71 VAL . 31184 1 68 72 ASP . 31184 1 69 73 GLY . 31184 1 70 74 SER . 31184 1 71 75 GLY . 31184 1 72 76 THR . 31184 1 73 77 ILE . 31184 1 74 78 ASP . 31184 1 75 79 PHE . 31184 1 76 80 GLU . 31184 1 77 81 GLU . 31184 1 78 82 PHE . 31184 1 79 83 LEU . 31184 1 80 84 VAL . 31184 1 81 85 LEU . 31184 1 82 86 MET . 31184 1 83 87 VAL . 31184 1 84 88 TYR . 31184 1 85 89 SER . 31184 1 86 90 MET . 31184 1 87 91 LYS . 31184 1 88 92 GLN . 31184 1 89 93 ASP . 31184 1 90 94 ALA . 31184 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 . ALA 1 1 31184 1 . SER 2 2 31184 1 . MET 3 3 31184 1 . GLU 4 4 31184 1 . ASP 5 5 31184 1 . LEU 6 6 31184 1 . GLN 7 7 31184 1 . ALA 8 8 31184 1 . GLU 9 9 31184 1 . ALA 10 10 31184 1 . ARG 11 11 31184 1 . ALA 12 12 31184 1 . PHE 13 13 31184 1 . LEU 14 14 31184 1 . SER 15 15 31184 1 . GLU 16 16 31184 1 . GLU 17 17 31184 1 . MET 18 18 31184 1 . ILE 19 19 31184 1 . ALA 20 20 31184 1 . GLU 21 21 31184 1 . PHE 22 22 31184 1 . LYS 23 23 31184 1 . ALA 24 24 31184 1 . ALA 25 25 31184 1 . PHE 26 26 31184 1 . ASP 27 27 31184 1 . MET 28 28 31184 1 . PHE 29 29 31184 1 . ASP 30 30 31184 1 . ALA 31 31 31184 1 . ASP 32 32 31184 1 . GLY 33 33 31184 1 . GLY 34 34 31184 1 . GLY 35 35 31184 1 . ASP 36 36 31184 1 . ILE 37 37 31184 1 . SER 38 38 31184 1 . TYR 39 39 31184 1 . LYS 40 40 31184 1 . ALA 41 41 31184 1 . VAL 42 42 31184 1 . GLY 43 43 31184 1 . THR 44 44 31184 1 . VAL 45 45 31184 1 . PHE 46 46 31184 1 . ARG 47 47 31184 1 . MET 48 48 31184 1 . LEU 49 49 31184 1 . GLY 50 50 31184 1 . ILE 51 51 31184 1 . ASN 52 52 31184 1 . PRO 53 53 31184 1 . SER 54 54 31184 1 . LYS 55 55 31184 1 . GLU 56 56 31184 1 . VAL 57 57 31184 1 . LEU 58 58 31184 1 . ASP 59 59 31184 1 . TYR 60 60 31184 1 . LEU 61 61 31184 1 . LYS 62 62 31184 1 . GLU 63 63 31184 1 . LYS 64 64 31184 1 . ILE 65 65 31184 1 . ASP 66 66 31184 1 . VAL 67 67 31184 1 . ASP 68 68 31184 1 . GLY 69 69 31184 1 . SER 70 70 31184 1 . GLY 71 71 31184 1 . THR 72 72 31184 1 . ILE 73 73 31184 1 . ASP 74 74 31184 1 . PHE 75 75 31184 1 . GLU 76 76 31184 1 . GLU 77 77 31184 1 . PHE 78 78 31184 1 . LEU 79 79 31184 1 . VAL 80 80 31184 1 . LEU 81 81 31184 1 . MET 82 82 31184 1 . VAL 83 83 31184 1 . TYR 84 84 31184 1 . SER 85 85 31184 1 . MET 86 86 31184 1 . LYS 87 87 31184 1 . GLN 88 88 31184 1 . ASP 89 89 31184 1 . ALA 90 90 31184 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 31184 _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 . 32630 . . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 31184 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 31184 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . Plasmid . . pET-28a(+) . . . 31184 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31184 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '400 uM [U-99% 13C; U-99% 15N] S89, 100 mM potassium chloride, 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 S89 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 31184 1 2 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 31184 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 31184 _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 31184 1 pH 6.7 . pH 31184 1 pressure 1 . atm 31184 1 temperature 298.1 . K 31184 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31184 _Software.ID 1 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version 3.7 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31184 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31184 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31184 _Software.ID 2 _Software.Type . _Software.Name ARTINA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Klukowski, P., Riek, R. and Guntert, P.' . . 31184 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31184 2 'peak picking' . 31184 2 'structure calculation' . 31184 2 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 31184 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31184 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 31184 _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 . 800 . . . 31184 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 31184 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 31184 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31184 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31184 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31184 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31184 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31184 1 6 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31184 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31184 1 8 '2D HBCBCGCDCEHE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31184 1 9 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31184 1 10 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31184 1 11 '2D HBCBCGCDHD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31184 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 31184 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.251449530 . . . . . 31184 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 31184 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 external indirect 0.101329118 . . . . . 31184 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 31184 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 31184 1 2 '2D 1H-13C HSQC' . . . 31184 1 3 '3D HCCH-TOCSY' . . . 31184 1 4 '3D 1H-15N NOESY' . . . 31184 1 5 '3D 1H-13C NOESY' . . . 31184 1 6 '3D H(CCO)NH' . . . 31184 1 7 '3D C(CO)NH' . . . 31184 1 8 '2D HBCBCGCDCEHE' . . . 31184 1 9 '3D HNCACB' . . . 31184 1 10 '3D CBCA(CO)NH' . . . 31184 1 11 '2D HBCBCGCDHD' . . . 31184 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 ALA H H 1 8.151 0.000 . 1 . . . . A 5 ALA H1 . 31184 1 2 . 1 . 1 1 1 ALA HA H 1 4.310 0.000 . 1 . . . . A 5 ALA HA . 31184 1 3 . 1 . 1 1 1 ALA HB1 H 1 1.376 0.000 . 1 . . . . A 5 ALA HB1 . 31184 1 4 . 1 . 1 1 1 ALA HB2 H 1 1.376 0.000 . 1 . . . . A 5 ALA HB2 . 31184 1 5 . 1 . 1 1 1 ALA HB3 H 1 1.376 0.000 . 1 . . . . A 5 ALA HB3 . 31184 1 6 . 1 . 1 1 1 ALA CA C 13 52.856 0.000 . 1 . . . . A 5 ALA CA . 31184 1 7 . 1 . 1 1 1 ALA CB C 13 19.338 0.000 . 1 . . . . A 5 ALA CB . 31184 1 8 . 1 . 1 1 1 ALA N N 15 124.414 0.000 . 1 . . . . A 5 ALA N . 31184 1 9 . 1 . 1 2 2 SER H H 1 8.392 0.000 . 1 . . . . A 6 SER H . 31184 1 10 . 1 . 1 2 2 SER HA H 1 4.512 0.000 . 1 . . . . A 6 SER HA . 31184 1 11 . 1 . 1 2 2 SER HB2 H 1 3.970 0.000 . 1 . . . . A 6 SER HB2 . 31184 1 12 . 1 . 1 2 2 SER HB3 H 1 4.044 0.000 . 1 . . . . A 6 SER HB3 . 31184 1 13 . 1 . 1 2 2 SER CA C 13 57.808 0.000 . 1 . . . . A 6 SER CA . 31184 1 14 . 1 . 1 2 2 SER CB C 13 64.174 0.000 . 1 . . . . A 6 SER CB . 31184 1 15 . 1 . 1 2 2 SER N N 15 114.576 0.000 . 1 . . . . A 6 SER N . 31184 1 16 . 1 . 1 3 3 MET H H 1 8.563 0.000 . 1 . . . . A 7 MET H . 31184 1 17 . 1 . 1 3 3 MET HA H 1 4.326 0.000 . 1 . . . . A 7 MET HA . 31184 1 18 . 1 . 1 3 3 MET HB2 H 1 2.009 0.000 . 1 . . . . A 7 MET HB2 . 31184 1 19 . 1 . 1 3 3 MET HB3 H 1 2.014 0.000 . 1 . . . . A 7 MET HB3 . 31184 1 20 . 1 . 1 3 3 MET HG2 H 1 2.480 0.000 . 1 . . . . A 7 MET HG2 . 31184 1 21 . 1 . 1 3 3 MET HG3 H 1 2.483 0.000 . 1 . . . . A 7 MET HG3 . 31184 1 22 . 1 . 1 3 3 MET HE1 H 1 1.866 0.000 . 1 . . . . A 7 MET HE1 . 31184 1 23 . 1 . 1 3 3 MET HE2 H 1 1.866 0.000 . 1 . . . . A 7 MET HE2 . 31184 1 24 . 1 . 1 3 3 MET HE3 H 1 1.866 0.000 . 1 . . . . A 7 MET HE3 . 31184 1 25 . 1 . 1 3 3 MET CA C 13 57.029 0.000 . 1 . . . . A 7 MET CA . 31184 1 26 . 1 . 1 3 3 MET CB C 13 32.216 0.000 . 1 . . . . A 7 MET CB . 31184 1 27 . 1 . 1 3 3 MET CG C 13 32.420 0.000 . 1 . . . . A 7 MET CG . 31184 1 28 . 1 . 1 3 3 MET CE C 13 16.899 0.000 . 1 . . . . A 7 MET CE . 31184 1 29 . 1 . 1 3 3 MET N N 15 122.503 0.000 . 1 . . . . A 7 MET N . 31184 1 30 . 1 . 1 4 4 GLU H H 1 8.533 0.000 . 1 . . . . A 8 GLU H . 31184 1 31 . 1 . 1 4 4 GLU HA H 1 4.035 0.000 . 1 . . . . A 8 GLU HA . 31184 1 32 . 1 . 1 4 4 GLU HB2 H 1 2.000 0.000 . 1 . . . . A 8 GLU HB2 . 31184 1 33 . 1 . 1 4 4 GLU HB3 H 1 2.001 0.000 . 1 . . . . A 8 GLU HB3 . 31184 1 34 . 1 . 1 4 4 GLU HG2 H 1 2.304 0.010 . 1 . . . . A 8 GLU HG2 . 31184 1 35 . 1 . 1 4 4 GLU HG3 H 1 2.308 0.000 . 1 . . . . A 8 GLU HG3 . 31184 1 36 . 1 . 1 4 4 GLU CA C 13 59.146 0.000 . 1 . . . . A 8 GLU CA . 31184 1 37 . 1 . 1 4 4 GLU CB C 13 29.464 0.000 . 1 . . . . A 8 GLU CB . 31184 1 38 . 1 . 1 4 4 GLU CG C 13 36.519 0.000 . 1 . . . . A 8 GLU CG . 31184 1 39 . 1 . 1 4 4 GLU N N 15 119.658 0.000 . 1 . . . . A 8 GLU N . 31184 1 40 . 1 . 1 5 5 ASP H H 1 8.017 0.000 . 1 . . . . A 9 ASP H . 31184 1 41 . 1 . 1 5 5 ASP HA H 1 4.538 0.000 . 1 . . . . A 9 ASP HA . 31184 1 42 . 1 . 1 5 5 ASP HB2 H 1 2.741 0.000 . 1 . . . . A 9 ASP HB2 . 31184 1 43 . 1 . 1 5 5 ASP HB3 H 1 2.746 0.000 . 1 . . . . A 9 ASP HB3 . 31184 1 44 . 1 . 1 5 5 ASP CA C 13 56.116 0.000 . 1 . . . . A 9 ASP CA . 31184 1 45 . 1 . 1 5 5 ASP CB C 13 40.539 0.000 . 1 . . . . A 9 ASP CB . 31184 1 46 . 1 . 1 5 5 ASP N N 15 120.395 0.000 . 1 . . . . A 9 ASP N . 31184 1 47 . 1 . 1 6 6 LEU H H 1 8.045 0.000 . 1 . . . . A 10 LEU H . 31184 1 48 . 1 . 1 6 6 LEU HA H 1 4.158 0.000 . 1 . . . . A 10 LEU HA . 31184 1 49 . 1 . 1 6 6 LEU HB2 H 1 1.488 0.000 . 1 . . . . A 10 LEU HB2 . 31184 1 50 . 1 . 1 6 6 LEU HB3 H 1 1.849 0.000 . 1 . . . . A 10 LEU HB3 . 31184 1 51 . 1 . 1 6 6 LEU HG H 1 1.664 0.000 . 1 . . . . A 10 LEU HG . 31184 1 52 . 1 . 1 6 6 LEU HD11 H 1 0.771 0.000 . 1 . . . . A 10 LEU HD11 . 31184 1 53 . 1 . 1 6 6 LEU HD12 H 1 0.771 0.000 . 1 . . . . A 10 LEU HD12 . 31184 1 54 . 1 . 1 6 6 LEU HD13 H 1 0.771 0.000 . 1 . . . . A 10 LEU HD13 . 31184 1 55 . 1 . 1 6 6 LEU HD21 H 1 0.789 0.000 . 1 . . . . A 10 LEU HD21 . 31184 1 56 . 1 . 1 6 6 LEU HD22 H 1 0.789 0.000 . 1 . . . . A 10 LEU HD22 . 31184 1 57 . 1 . 1 6 6 LEU HD23 H 1 0.789 0.000 . 1 . . . . A 10 LEU HD23 . 31184 1 58 . 1 . 1 6 6 LEU CA C 13 56.794 0.000 . 1 . . . . A 10 LEU CA . 31184 1 59 . 1 . 1 6 6 LEU CB C 13 42.114 0.000 . 1 . . . . A 10 LEU CB . 31184 1 60 . 1 . 1 6 6 LEU CG C 13 26.930 0.000 . 1 . . . . A 10 LEU CG . 31184 1 61 . 1 . 1 6 6 LEU CD1 C 13 23.233 0.000 . 1 . . . . A 10 LEU CD1 . 31184 1 62 . 1 . 1 6 6 LEU CD2 C 13 25.347 0.000 . 1 . . . . A 10 LEU CD2 . 31184 1 63 . 1 . 1 6 6 LEU N N 15 121.496 0.000 . 1 . . . . A 10 LEU N . 31184 1 64 . 1 . 1 7 7 GLN H H 1 8.328 0.000 . 1 . . . . A 11 GLN H . 31184 1 65 . 1 . 1 7 7 GLN HA H 1 3.978 0.000 . 1 . . . . A 11 GLN HA . 31184 1 66 . 1 . 1 7 7 GLN HB2 H 1 2.117 0.000 . 1 . . . . A 11 GLN HB2 . 31184 1 67 . 1 . 1 7 7 GLN HB3 H 1 2.119 0.000 . 1 . . . . A 11 GLN HB3 . 31184 1 68 . 1 . 1 7 7 GLN HG2 H 1 2.339 0.000 . 1 . . . . A 11 GLN HG2 . 31184 1 69 . 1 . 1 7 7 GLN HG3 H 1 2.523 0.000 . 1 . . . . A 11 GLN HG3 . 31184 1 70 . 1 . 1 7 7 GLN HE21 H 1 7.010 0.000 . 1 . . . . A 11 GLN HE21 . 31184 1 71 . 1 . 1 7 7 GLN HE22 H 1 7.123 0.000 . 1 . . . . A 11 GLN HE22 . 31184 1 72 . 1 . 1 7 7 GLN CA C 13 58.380 0.000 . 1 . . . . A 11 GLN CA . 31184 1 73 . 1 . 1 7 7 GLN CB C 13 28.160 0.000 . 1 . . . . A 11 GLN CB . 31184 1 74 . 1 . 1 7 7 GLN CG C 13 34.424 0.000 . 1 . . . . A 11 GLN CG . 31184 1 75 . 1 . 1 7 7 GLN N N 15 119.794 0.000 . 1 . . . . A 11 GLN N . 31184 1 76 . 1 . 1 7 7 GLN NE2 N 15 110.748 0.000 . 1 . . . . A 11 GLN NE2 . 31184 1 77 . 1 . 1 8 8 ALA H H 1 7.880 0.000 . 1 . . . . A 12 ALA H . 31184 1 78 . 1 . 1 8 8 ALA HA H 1 4.181 0.000 . 1 . . . . A 12 ALA HA . 31184 1 79 . 1 . 1 8 8 ALA HB1 H 1 1.476 0.000 . 1 . . . . A 12 ALA HB1 . 31184 1 80 . 1 . 1 8 8 ALA HB2 H 1 1.476 0.000 . 1 . . . . A 12 ALA HB2 . 31184 1 81 . 1 . 1 8 8 ALA HB3 H 1 1.476 0.000 . 1 . . . . A 12 ALA HB3 . 31184 1 82 . 1 . 1 8 8 ALA CA C 13 54.388 0.000 . 1 . . . . A 12 ALA CA . 31184 1 83 . 1 . 1 8 8 ALA CB C 13 18.590 0.000 . 1 . . . . A 12 ALA CB . 31184 1 84 . 1 . 1 8 8 ALA N N 15 122.095 0.000 . 1 . . . . A 12 ALA N . 31184 1 85 . 1 . 1 9 9 GLU H H 1 8.128 0.000 . 1 . . . . A 13 GLU H . 31184 1 86 . 1 . 1 9 9 GLU HA H 1 4.161 0.000 . 1 . . . . A 13 GLU HA . 31184 1 87 . 1 . 1 9 9 GLU HB2 H 1 2.027 0.000 . 1 . . . . A 13 GLU HB2 . 31184 1 88 . 1 . 1 9 9 GLU HB3 H 1 2.098 0.000 . 1 . . . . A 13 GLU HB3 . 31184 1 89 . 1 . 1 9 9 GLU HG2 H 1 2.207 0.000 . 1 . . . . A 13 GLU HG2 . 31184 1 90 . 1 . 1 9 9 GLU HG3 H 1 2.336 0.000 . 1 . . . . A 13 GLU HG3 . 31184 1 91 . 1 . 1 9 9 GLU CA C 13 58.001 0.000 . 1 . . . . A 13 GLU CA . 31184 1 92 . 1 . 1 9 9 GLU CB C 13 29.617 0.000 . 1 . . . . A 13 GLU CB . 31184 1 93 . 1 . 1 9 9 GLU CG C 13 36.351 0.000 . 1 . . . . A 13 GLU CG . 31184 1 94 . 1 . 1 9 9 GLU N N 15 118.876 0.000 . 1 . . . . A 13 GLU N . 31184 1 95 . 1 . 1 10 10 ALA H H 1 8.272 0.000 . 1 . . . . A 14 ALA H . 31184 1 96 . 1 . 1 10 10 ALA HA H 1 4.083 0.000 . 1 . . . . A 14 ALA HA . 31184 1 97 . 1 . 1 10 10 ALA HB1 H 1 1.374 0.000 . 1 . . . . A 14 ALA HB1 . 31184 1 98 . 1 . 1 10 10 ALA HB2 H 1 1.374 0.000 . 1 . . . . A 14 ALA HB2 . 31184 1 99 . 1 . 1 10 10 ALA HB3 H 1 1.374 0.000 . 1 . . . . A 14 ALA HB3 . 31184 1 100 . 1 . 1 10 10 ALA CA C 13 55.692 0.000 . 1 . . . . A 14 ALA CA . 31184 1 101 . 1 . 1 10 10 ALA CB C 13 18.481 0.000 . 1 . . . . A 14 ALA CB . 31184 1 102 . 1 . 1 10 10 ALA N N 15 123.545 0.000 . 1 . . . . A 14 ALA N . 31184 1 103 . 1 . 1 11 11 ARG H H 1 7.977 0.000 . 1 . . . . A 15 ARG H . 31184 1 104 . 1 . 1 11 11 ARG HA H 1 3.960 0.000 . 1 . . . . A 15 ARG HA . 31184 1 105 . 1 . 1 11 11 ARG HB2 H 1 1.772 0.000 . 1 . . . . A 15 ARG HB2 . 31184 1 106 . 1 . 1 11 11 ARG HB3 H 1 1.878 0.000 . 1 . . . . A 15 ARG HB3 . 31184 1 107 . 1 . 1 11 11 ARG HG2 H 1 1.523 0.000 . 1 . . . . A 15 ARG HG2 . 31184 1 108 . 1 . 1 11 11 ARG HG3 H 1 1.524 0.000 . 1 . . . . A 15 ARG HG3 . 31184 1 109 . 1 . 1 11 11 ARG HD2 H 1 3.153 0.000 . 1 . . . . A 15 ARG HD2 . 31184 1 110 . 1 . 1 11 11 ARG HD3 H 1 3.155 0.000 . 1 . . . . A 15 ARG HD3 . 31184 1 111 . 1 . 1 11 11 ARG HE H 1 7.986 0.000 . 1 . . . . A 15 ARG HE . 31184 1 112 . 1 . 1 11 11 ARG CA C 13 58.890 0.000 . 1 . . . . A 15 ARG CA . 31184 1 113 . 1 . 1 11 11 ARG CB C 13 29.855 0.000 . 1 . . . . A 15 ARG CB . 31184 1 114 . 1 . 1 11 11 ARG CG C 13 29.812 0.000 . 1 . . . . A 15 ARG CG . 31184 1 115 . 1 . 1 11 11 ARG CD C 13 43.013 0.000 . 1 . . . . A 15 ARG CD . 31184 1 116 . 1 . 1 11 11 ARG N N 15 114.287 0.000 . 1 . . . . A 15 ARG N . 31184 1 117 . 1 . 1 12 12 ALA H H 1 7.618 0.000 . 1 . . . . A 16 ALA H . 31184 1 118 . 1 . 1 12 12 ALA HA H 1 4.264 0.000 . 1 . . . . A 16 ALA HA . 31184 1 119 . 1 . 1 12 12 ALA HB1 H 1 1.389 0.000 . 1 . . . . A 16 ALA HB1 . 31184 1 120 . 1 . 1 12 12 ALA HB2 H 1 1.389 0.000 . 1 . . . . A 16 ALA HB2 . 31184 1 121 . 1 . 1 12 12 ALA HB3 H 1 1.389 0.000 . 1 . . . . A 16 ALA HB3 . 31184 1 122 . 1 . 1 12 12 ALA CA C 13 53.515 0.000 . 1 . . . . A 16 ALA CA . 31184 1 123 . 1 . 1 12 12 ALA CB C 13 18.559 0.000 . 1 . . . . A 16 ALA CB . 31184 1 124 . 1 . 1 12 12 ALA N N 15 119.567 0.000 . 1 . . . . A 16 ALA N . 31184 1 125 . 1 . 1 13 13 PHE H H 1 7.765 0.000 . 1 . . . . A 17 PHE H . 31184 1 126 . 1 . 1 13 13 PHE HA H 1 4.408 0.000 . 1 . . . . A 17 PHE HA . 31184 1 127 . 1 . 1 13 13 PHE HB2 H 1 3.148 0.000 . 1 . . . . A 17 PHE HB2 . 31184 1 128 . 1 . 1 13 13 PHE HB3 H 1 3.203 0.000 . 1 . . . . A 17 PHE HB3 . 31184 1 129 . 1 . 1 13 13 PHE HD1 H 1 7.261 0.000 . 1 . . . . A 17 PHE HD1 . 31184 1 130 . 1 . 1 13 13 PHE HD2 H 1 7.264 0.000 . 1 . . . . A 17 PHE HD2 . 31184 1 131 . 1 . 1 13 13 PHE HE1 H 1 7.262 0.000 . 1 . . . . A 17 PHE HE1 . 31184 1 132 . 1 . 1 13 13 PHE HE2 H 1 7.500 0.010 . 1 . . . . A 17 PHE HE2 . 31184 1 133 . 1 . 1 13 13 PHE HZ H 1 6.920 0.010 . 1 . . . . A 17 PHE HZ . 31184 1 134 . 1 . 1 13 13 PHE CA C 13 59.261 0.000 . 1 . . . . A 17 PHE CA . 31184 1 135 . 1 . 1 13 13 PHE CB C 13 41.022 0.000 . 1 . . . . A 17 PHE CB . 31184 1 136 . 1 . 1 13 13 PHE CD1 C 13 132.305 0.000 . 1 . . . . A 17 PHE CD1 . 31184 1 137 . 1 . 1 13 13 PHE CE1 C 13 132.248 0.000 . 1 . . . . A 17 PHE CE1 . 31184 1 138 . 1 . 1 13 13 PHE CZ C 13 129.219 0.010 . 1 . . . . A 17 PHE CZ . 31184 1 139 . 1 . 1 13 13 PHE N N 15 117.642 0.000 . 1 . . . . A 17 PHE N . 31184 1 140 . 1 . 1 14 14 LEU H H 1 7.493 0.000 . 1 . . . . A 18 LEU H . 31184 1 141 . 1 . 1 14 14 LEU HA H 1 4.500 0.000 . 1 . . . . A 18 LEU HA . 31184 1 142 . 1 . 1 14 14 LEU HB2 H 1 1.369 0.000 . 1 . . . . A 18 LEU HB2 . 31184 1 143 . 1 . 1 14 14 LEU HB3 H 1 1.836 0.000 . 1 . . . . A 18 LEU HB3 . 31184 1 144 . 1 . 1 14 14 LEU HG H 1 1.916 0.000 . 1 . . . . A 18 LEU HG . 31184 1 145 . 1 . 1 14 14 LEU HD11 H 1 1.035 0.000 . 1 . . . . A 18 LEU HD11 . 31184 1 146 . 1 . 1 14 14 LEU HD12 H 1 1.035 0.000 . 1 . . . . A 18 LEU HD12 . 31184 1 147 . 1 . 1 14 14 LEU HD13 H 1 1.035 0.000 . 1 . . . . A 18 LEU HD13 . 31184 1 148 . 1 . 1 14 14 LEU HD21 H 1 0.883 0.000 . 1 . . . . A 18 LEU HD21 . 31184 1 149 . 1 . 1 14 14 LEU HD22 H 1 0.883 0.000 . 1 . . . . A 18 LEU HD22 . 31184 1 150 . 1 . 1 14 14 LEU HD23 H 1 0.883 0.000 . 1 . . . . A 18 LEU HD23 . 31184 1 151 . 1 . 1 14 14 LEU CA C 13 53.402 0.000 . 1 . . . . A 18 LEU CA . 31184 1 152 . 1 . 1 14 14 LEU CB C 13 44.609 0.000 . 1 . . . . A 18 LEU CB . 31184 1 153 . 1 . 1 14 14 LEU CG C 13 26.884 0.000 . 1 . . . . A 18 LEU CG . 31184 1 154 . 1 . 1 14 14 LEU CD1 C 13 24.283 0.000 . 1 . . . . A 18 LEU CD1 . 31184 1 155 . 1 . 1 14 14 LEU CD2 C 13 27.697 0.000 . 1 . . . . A 18 LEU CD2 . 31184 1 156 . 1 . 1 14 14 LEU N N 15 118.125 0.000 . 1 . . . . A 18 LEU N . 31184 1 157 . 1 . 1 15 15 SER H H 1 7.875 0.000 . 1 . . . . A 19 SER H . 31184 1 158 . 1 . 1 15 15 SER HA H 1 4.537 0.000 . 1 . . . . A 19 SER HA . 31184 1 159 . 1 . 1 15 15 SER HB2 H 1 4.010 0.000 . 1 . . . . A 19 SER HB2 . 31184 1 160 . 1 . 1 15 15 SER HB3 H 1 4.388 0.000 . 1 . . . . A 19 SER HB3 . 31184 1 161 . 1 . 1 15 15 SER CA C 13 56.446 0.000 . 1 . . . . A 19 SER CA . 31184 1 162 . 1 . 1 15 15 SER CB C 13 65.387 0.000 . 1 . . . . A 19 SER CB . 31184 1 163 . 1 . 1 15 15 SER N N 15 116.376 0.000 . 1 . . . . A 19 SER N . 31184 1 164 . 1 . 1 16 16 GLU H H 1 9.057 0.000 . 1 . . . . A 20 GLU H . 31184 1 165 . 1 . 1 16 16 GLU HA H 1 3.916 0.000 . 1 . . . . A 20 GLU HA . 31184 1 166 . 1 . 1 16 16 GLU HB2 H 1 2.020 0.000 . 1 . . . . A 20 GLU HB2 . 31184 1 167 . 1 . 1 16 16 GLU HB3 H 1 2.024 0.000 . 1 . . . . A 20 GLU HB3 . 31184 1 168 . 1 . 1 16 16 GLU HG2 H 1 2.319 0.000 . 1 . . . . A 20 GLU HG2 . 31184 1 169 . 1 . 1 16 16 GLU HG3 H 1 2.401 0.000 . 1 . . . . A 20 GLU HG3 . 31184 1 170 . 1 . 1 16 16 GLU CA C 13 60.041 0.000 . 1 . . . . A 20 GLU CA . 31184 1 171 . 1 . 1 16 16 GLU CB C 13 29.391 0.000 . 1 . . . . A 20 GLU CB . 31184 1 172 . 1 . 1 16 16 GLU CG C 13 36.603 0.000 . 1 . . . . A 20 GLU CG . 31184 1 173 . 1 . 1 16 16 GLU N N 15 121.528 0.000 . 1 . . . . A 20 GLU N . 31184 1 174 . 1 . 1 17 17 GLU H H 1 8.891 0.000 . 1 . . . . A 21 GLU H . 31184 1 175 . 1 . 1 17 17 GLU HA H 1 4.028 0.000 . 1 . . . . A 21 GLU HA . 31184 1 176 . 1 . 1 17 17 GLU HB2 H 1 1.922 0.000 . 1 . . . . A 21 GLU HB2 . 31184 1 177 . 1 . 1 17 17 GLU HB3 H 1 1.925 0.000 . 1 . . . . A 21 GLU HB3 . 31184 1 178 . 1 . 1 17 17 GLU HG2 H 1 2.306 0.000 . 1 . . . . A 21 GLU HG2 . 31184 1 179 . 1 . 1 17 17 GLU HG3 H 1 2.375 0.000 . 1 . . . . A 21 GLU HG3 . 31184 1 180 . 1 . 1 17 17 GLU CA C 13 60.098 0.000 . 1 . . . . A 21 GLU CA . 31184 1 181 . 1 . 1 17 17 GLU CB C 13 28.961 0.000 . 1 . . . . A 21 GLU CB . 31184 1 182 . 1 . 1 17 17 GLU CG C 13 36.771 0.000 . 1 . . . . A 21 GLU CG . 31184 1 183 . 1 . 1 17 17 GLU N N 15 119.431 0.000 . 1 . . . . A 21 GLU N . 31184 1 184 . 1 . 1 18 18 MET H H 1 7.696 0.000 . 1 . . . . A 22 MET H . 31184 1 185 . 1 . 1 18 18 MET HA H 1 3.870 0.000 . 1 . . . . A 22 MET HA . 31184 1 186 . 1 . 1 18 18 MET HB2 H 1 1.568 0.000 . 1 . . . . A 22 MET HB2 . 31184 1 187 . 1 . 1 18 18 MET HB3 H 1 1.948 0.000 . 1 . . . . A 22 MET HB3 . 31184 1 188 . 1 . 1 18 18 MET HG2 H 1 2.173 0.000 . 1 . . . . A 22 MET HG2 . 31184 1 189 . 1 . 1 18 18 MET HG3 H 1 2.309 0.000 . 1 . . . . A 22 MET HG3 . 31184 1 190 . 1 . 1 18 18 MET HE1 H 1 2.123 0.010 . 1 . . . . A 22 MET HE1 . 31184 1 191 . 1 . 1 18 18 MET HE2 H 1 2.123 0.010 . 1 . . . . A 22 MET HE2 . 31184 1 192 . 1 . 1 18 18 MET HE3 H 1 2.123 0.010 . 1 . . . . A 22 MET HE3 . 31184 1 193 . 1 . 1 18 18 MET CA C 13 58.538 0.000 . 1 . . . . A 22 MET CA . 31184 1 194 . 1 . 1 18 18 MET CB C 13 32.969 0.000 . 1 . . . . A 22 MET CB . 31184 1 195 . 1 . 1 18 18 MET CG C 13 32.693 0.000 . 1 . . . . A 22 MET CG . 31184 1 196 . 1 . 1 18 18 MET CE C 13 17.260 0.000 . 1 . . . . A 22 MET CE . 31184 1 197 . 1 . 1 18 18 MET N N 15 121.035 0.000 . 1 . . . . A 22 MET N . 31184 1 198 . 1 . 1 19 19 ILE H H 1 8.056 0.000 . 1 . . . . A 23 ILE H . 31184 1 199 . 1 . 1 19 19 ILE HA H 1 3.421 0.000 . 1 . . . . A 23 ILE HA . 31184 1 200 . 1 . 1 19 19 ILE HB H 1 1.861 0.000 . 1 . . . . A 23 ILE HB . 31184 1 201 . 1 . 1 19 19 ILE HG12 H 1 0.875 0.000 . 1 . . . . A 23 ILE HG12 . 31184 1 202 . 1 . 1 19 19 ILE HG13 H 1 1.828 0.000 . 1 . . . . A 23 ILE HG13 . 31184 1 203 . 1 . 1 19 19 ILE HG21 H 1 1.162 0.000 . 1 . . . . A 23 ILE HG21 . 31184 1 204 . 1 . 1 19 19 ILE HG22 H 1 1.162 0.000 . 1 . . . . A 23 ILE HG22 . 31184 1 205 . 1 . 1 19 19 ILE HG23 H 1 1.162 0.000 . 1 . . . . A 23 ILE HG23 . 31184 1 206 . 1 . 1 19 19 ILE HD11 H 1 0.869 0.000 . 1 . . . . A 23 ILE HD11 . 31184 1 207 . 1 . 1 19 19 ILE HD12 H 1 0.869 0.000 . 1 . . . . A 23 ILE HD12 . 31184 1 208 . 1 . 1 19 19 ILE HD13 H 1 0.869 0.000 . 1 . . . . A 23 ILE HD13 . 31184 1 209 . 1 . 1 19 19 ILE CA C 13 66.822 0.000 . 1 . . . . A 23 ILE CA . 31184 1 210 . 1 . 1 19 19 ILE CB C 13 37.814 0.000 . 1 . . . . A 23 ILE CB . 31184 1 211 . 1 . 1 19 19 ILE CG1 C 13 31.101 0.000 . 1 . . . . A 23 ILE CG1 . 31184 1 212 . 1 . 1 19 19 ILE CG2 C 13 17.594 0.000 . 1 . . . . A 23 ILE CG2 . 31184 1 213 . 1 . 1 19 19 ILE CD1 C 13 13.809 0.000 . 1 . . . . A 23 ILE CD1 . 31184 1 214 . 1 . 1 19 19 ILE N N 15 118.286 0.000 . 1 . . . . A 23 ILE N . 31184 1 215 . 1 . 1 20 20 ALA H H 1 7.830 0.000 . 1 . . . . A 24 ALA H . 31184 1 216 . 1 . 1 20 20 ALA HA H 1 4.144 0.000 . 1 . . . . A 24 ALA HA . 31184 1 217 . 1 . 1 20 20 ALA HB1 H 1 1.487 0.000 . 1 . . . . A 24 ALA HB1 . 31184 1 218 . 1 . 1 20 20 ALA HB2 H 1 1.487 0.000 . 1 . . . . A 24 ALA HB2 . 31184 1 219 . 1 . 1 20 20 ALA HB3 H 1 1.487 0.000 . 1 . . . . A 24 ALA HB3 . 31184 1 220 . 1 . 1 20 20 ALA CA C 13 55.162 0.000 . 1 . . . . A 24 ALA CA . 31184 1 221 . 1 . 1 20 20 ALA CB C 13 17.847 0.000 . 1 . . . . A 24 ALA CB . 31184 1 222 . 1 . 1 20 20 ALA N N 15 120.026 0.000 . 1 . . . . A 24 ALA N . 31184 1 223 . 1 . 1 21 21 GLU H H 1 7.690 0.000 . 1 . . . . A 25 GLU H . 31184 1 224 . 1 . 1 21 21 GLU HA H 1 4.129 0.000 . 1 . . . . A 25 GLU HA . 31184 1 225 . 1 . 1 21 21 GLU HB2 H 1 2.139 0.000 . 1 . . . . A 25 GLU HB2 . 31184 1 226 . 1 . 1 21 21 GLU HB3 H 1 2.142 0.000 . 1 . . . . A 25 GLU HB3 . 31184 1 227 . 1 . 1 21 21 GLU HG2 H 1 2.246 0.000 . 1 . . . . A 25 GLU HG2 . 31184 1 228 . 1 . 1 21 21 GLU HG3 H 1 2.429 0.000 . 1 . . . . A 25 GLU HG3 . 31184 1 229 . 1 . 1 21 21 GLU CA C 13 59.479 0.000 . 1 . . . . A 25 GLU CA . 31184 1 230 . 1 . 1 21 21 GLU CB C 13 29.372 0.000 . 1 . . . . A 25 GLU CB . 31184 1 231 . 1 . 1 21 21 GLU CG C 13 36.186 0.000 . 1 . . . . A 25 GLU CG . 31184 1 232 . 1 . 1 21 21 GLU N N 15 121.083 0.000 . 1 . . . . A 25 GLU N . 31184 1 233 . 1 . 1 22 22 PHE H H 1 8.817 0.000 . 1 . . . . A 26 PHE H . 31184 1 234 . 1 . 1 22 22 PHE HA H 1 4.878 0.000 . 1 . . . . A 26 PHE HA . 31184 1 235 . 1 . 1 22 22 PHE HB2 H 1 3.424 0.000 . 1 . . . . A 26 PHE HB2 . 31184 1 236 . 1 . 1 22 22 PHE HB3 H 1 3.710 0.000 . 1 . . . . A 26 PHE HB3 . 31184 1 237 . 1 . 1 22 22 PHE HD1 H 1 7.042 0.000 . 1 . . . . A 26 PHE HD1 . 31184 1 238 . 1 . 1 22 22 PHE HD2 H 1 7.044 0.000 . 1 . . . . A 26 PHE HD2 . 31184 1 239 . 1 . 1 22 22 PHE HE1 H 1 7.268 0.000 . 1 . . . . A 26 PHE HE1 . 31184 1 240 . 1 . 1 22 22 PHE HE2 H 1 7.272 0.000 . 1 . . . . A 26 PHE HE2 . 31184 1 241 . 1 . 1 22 22 PHE HZ H 1 7.273 0.000 . 1 . . . . A 26 PHE HZ . 31184 1 242 . 1 . 1 22 22 PHE CA C 13 57.631 0.000 . 1 . . . . A 26 PHE CA . 31184 1 243 . 1 . 1 22 22 PHE CB C 13 36.751 0.000 . 1 . . . . A 26 PHE CB . 31184 1 244 . 1 . 1 22 22 PHE CD1 C 13 129.880 0.000 . 1 . . . . A 26 PHE CD1 . 31184 1 245 . 1 . 1 22 22 PHE CE1 C 13 129.684 0.010 . 1 . . . . A 26 PHE CE1 . 31184 1 246 . 1 . 1 22 22 PHE CZ C 13 131.083 0.010 . 1 . . . . A 26 PHE CZ . 31184 1 247 . 1 . 1 22 22 PHE N N 15 120.606 0.000 . 1 . . . . A 26 PHE N . 31184 1 248 . 1 . 1 23 23 LYS H H 1 9.217 0.000 . 1 . . . . A 27 LYS H . 31184 1 249 . 1 . 1 23 23 LYS HA H 1 3.674 0.000 . 1 . . . . A 27 LYS HA . 31184 1 250 . 1 . 1 23 23 LYS HB2 H 1 1.578 0.000 . 1 . . . . A 27 LYS HB2 . 31184 1 251 . 1 . 1 23 23 LYS HB3 H 1 1.836 0.000 . 1 . . . . A 27 LYS HB3 . 31184 1 252 . 1 . 1 23 23 LYS HG2 H 1 0.790 0.000 . 1 . . . . A 27 LYS HG2 . 31184 1 253 . 1 . 1 23 23 LYS HG3 H 1 1.143 0.000 . 1 . . . . A 27 LYS HG3 . 31184 1 254 . 1 . 1 23 23 LYS HD2 H 1 0.302 0.000 . 1 . . . . A 27 LYS HD2 . 31184 1 255 . 1 . 1 23 23 LYS HD3 H 1 1.181 0.000 . 1 . . . . A 27 LYS HD3 . 31184 1 256 . 1 . 1 23 23 LYS HE2 H 1 1.843 0.000 . 1 . . . . A 27 LYS HE2 . 31184 1 257 . 1 . 1 23 23 LYS HE3 H 1 2.623 0.000 . 1 . . . . A 27 LYS HE3 . 31184 1 258 . 1 . 1 23 23 LYS CA C 13 58.502 0.000 . 1 . . . . A 27 LYS CA . 31184 1 259 . 1 . 1 23 23 LYS CB C 13 32.215 0.000 . 1 . . . . A 27 LYS CB . 31184 1 260 . 1 . 1 23 23 LYS CG C 13 24.286 0.000 . 1 . . . . A 27 LYS CG . 31184 1 261 . 1 . 1 23 23 LYS CD C 13 27.324 0.000 . 1 . . . . A 27 LYS CD . 31184 1 262 . 1 . 1 23 23 LYS CE C 13 42.225 0.000 . 1 . . . . A 27 LYS CE . 31184 1 263 . 1 . 1 23 23 LYS N N 15 121.446 0.000 . 1 . . . . A 27 LYS N . 31184 1 264 . 1 . 1 24 24 ALA H H 1 7.697 0.000 . 1 . . . . A 28 ALA H . 31184 1 265 . 1 . 1 24 24 ALA HA H 1 4.144 0.000 . 1 . . . . A 28 ALA HA . 31184 1 266 . 1 . 1 24 24 ALA HB1 H 1 1.505 0.000 . 1 . . . . A 28 ALA HB1 . 31184 1 267 . 1 . 1 24 24 ALA HB2 H 1 1.505 0.000 . 1 . . . . A 28 ALA HB2 . 31184 1 268 . 1 . 1 24 24 ALA HB3 H 1 1.505 0.000 . 1 . . . . A 28 ALA HB3 . 31184 1 269 . 1 . 1 24 24 ALA CA C 13 55.074 0.000 . 1 . . . . A 28 ALA CA . 31184 1 270 . 1 . 1 24 24 ALA CB C 13 17.769 0.000 . 1 . . . . A 28 ALA CB . 31184 1 271 . 1 . 1 24 24 ALA N N 15 119.552 0.000 . 1 . . . . A 28 ALA N . 31184 1 272 . 1 . 1 25 25 ALA H H 1 7.337 0.000 . 1 . . . . A 29 ALA H . 31184 1 273 . 1 . 1 25 25 ALA HA H 1 4.308 0.000 . 1 . . . . A 29 ALA HA . 31184 1 274 . 1 . 1 25 25 ALA HB1 H 1 1.693 0.000 . 1 . . . . A 29 ALA HB1 . 31184 1 275 . 1 . 1 25 25 ALA HB2 H 1 1.693 0.000 . 1 . . . . A 29 ALA HB2 . 31184 1 276 . 1 . 1 25 25 ALA HB3 H 1 1.693 0.000 . 1 . . . . A 29 ALA HB3 . 31184 1 277 . 1 . 1 25 25 ALA CA C 13 54.988 0.000 . 1 . . . . A 29 ALA CA . 31184 1 278 . 1 . 1 25 25 ALA CB C 13 19.178 0.000 . 1 . . . . A 29 ALA CB . 31184 1 279 . 1 . 1 25 25 ALA N N 15 119.212 0.000 . 1 . . . . A 29 ALA N . 31184 1 280 . 1 . 1 26 26 PHE H H 1 8.351 0.000 . 1 . . . . A 30 PHE H . 31184 1 281 . 1 . 1 26 26 PHE HA H 1 3.684 0.000 . 1 . . . . A 30 PHE HA . 31184 1 282 . 1 . 1 26 26 PHE HB2 H 1 2.660 0.000 . 1 . . . . A 30 PHE HB2 . 31184 1 283 . 1 . 1 26 26 PHE HB3 H 1 3.256 0.000 . 1 . . . . A 30 PHE HB3 . 31184 1 284 . 1 . 1 26 26 PHE HD1 H 1 6.616 0.000 . 1 . . . . A 30 PHE HD1 . 31184 1 285 . 1 . 1 26 26 PHE HD2 H 1 6.960 0.010 . 1 . . . . A 30 PHE HD2 . 31184 1 286 . 1 . 1 26 26 PHE HE1 H 1 6.963 0.010 . 1 . . . . A 30 PHE HE1 . 31184 1 287 . 1 . 1 26 26 PHE HE2 H 1 7.442 0.010 . 1 . . . . A 30 PHE HE2 . 31184 1 288 . 1 . 1 26 26 PHE HZ H 1 6.964 0.010 . 1 . . . . A 30 PHE HZ . 31184 1 289 . 1 . 1 26 26 PHE CA C 13 62.239 0.000 . 1 . . . . A 30 PHE CA . 31184 1 290 . 1 . 1 26 26 PHE CB C 13 40.811 0.000 . 1 . . . . A 30 PHE CB . 31184 1 291 . 1 . 1 26 26 PHE CD1 C 13 132.331 0.010 . 1 . . . . A 30 PHE CD1 . 31184 1 292 . 1 . 1 26 26 PHE CE1 C 13 129.800 0.000 . 1 . . . . A 30 PHE CE1 . 31184 1 293 . 1 . 1 26 26 PHE CZ C 13 130.940 0.010 . 1 . . . . A 30 PHE CZ . 31184 1 294 . 1 . 1 26 26 PHE N N 15 119.189 0.000 . 1 . . . . A 30 PHE N . 31184 1 295 . 1 . 1 27 27 ASP H H 1 8.957 0.000 . 1 . . . . A 31 ASP H . 31184 1 296 . 1 . 1 27 27 ASP HA H 1 4.312 0.000 . 1 . . . . A 31 ASP HA . 31184 1 297 . 1 . 1 27 27 ASP HB2 H 1 2.635 0.000 . 1 . . . . A 31 ASP HB2 . 31184 1 298 . 1 . 1 27 27 ASP HB3 H 1 2.649 0.000 . 1 . . . . A 31 ASP HB3 . 31184 1 299 . 1 . 1 27 27 ASP CA C 13 56.929 0.000 . 1 . . . . A 31 ASP CA . 31184 1 300 . 1 . 1 27 27 ASP CB C 13 40.525 0.000 . 1 . . . . A 31 ASP CB . 31184 1 301 . 1 . 1 27 27 ASP N N 15 115.567 0.000 . 1 . . . . A 31 ASP N . 31184 1 302 . 1 . 1 28 28 MET H H 1 7.475 0.000 . 1 . . . . A 32 MET H . 31184 1 303 . 1 . 1 28 28 MET HA H 1 3.944 0.000 . 1 . . . . A 32 MET HA . 31184 1 304 . 1 . 1 28 28 MET HB2 H 1 1.704 0.000 . 1 . . . . A 32 MET HB2 . 31184 1 305 . 1 . 1 28 28 MET HB3 H 1 2.121 0.000 . 1 . . . . A 32 MET HB3 . 31184 1 306 . 1 . 1 28 28 MET HG2 H 1 2.341 0.000 . 1 . . . . A 32 MET HG2 . 31184 1 307 . 1 . 1 28 28 MET HG3 H 1 2.690 0.000 . 1 . . . . A 32 MET HG3 . 31184 1 308 . 1 . 1 28 28 MET HE1 H 1 1.964 0.010 . 1 . . . . A 32 MET HE1 . 31184 1 309 . 1 . 1 28 28 MET HE2 H 1 1.964 0.010 . 1 . . . . A 32 MET HE2 . 31184 1 310 . 1 . 1 28 28 MET HE3 H 1 1.964 0.010 . 1 . . . . A 32 MET HE3 . 31184 1 311 . 1 . 1 28 28 MET CA C 13 58.194 0.000 . 1 . . . . A 32 MET CA . 31184 1 312 . 1 . 1 28 28 MET CB C 13 32.061 0.000 . 1 . . . . A 32 MET CB . 31184 1 313 . 1 . 1 28 28 MET CG C 13 32.114 0.000 . 1 . . . . A 32 MET CG . 31184 1 314 . 1 . 1 28 28 MET CE C 13 16.886 0.000 . 1 . . . . A 32 MET CE . 31184 1 315 . 1 . 1 28 28 MET N N 15 117.976 0.000 . 1 . . . . A 32 MET N . 31184 1 316 . 1 . 1 29 29 PHE H H 1 7.602 0.000 . 1 . . . . A 33 PHE H . 31184 1 317 . 1 . 1 29 29 PHE HA H 1 4.326 0.000 . 1 . . . . A 33 PHE HA . 31184 1 318 . 1 . 1 29 29 PHE HB2 H 1 2.436 0.000 . 1 . . . . A 33 PHE HB2 . 31184 1 319 . 1 . 1 29 29 PHE HB3 H 1 3.166 0.000 . 1 . . . . A 33 PHE HB3 . 31184 1 320 . 1 . 1 29 29 PHE HD1 H 1 7.270 0.000 . 1 . . . . A 33 PHE HD1 . 31184 1 321 . 1 . 1 29 29 PHE HD2 H 1 7.279 0.000 . 1 . . . . A 33 PHE HD2 . 31184 1 322 . 1 . 1 29 29 PHE HE1 H 1 7.270 0.010 . 1 . . . . A 33 PHE HE1 . 31184 1 323 . 1 . 1 29 29 PHE HE2 H 1 7.269 0.000 . 1 . . . . A 33 PHE HE2 . 31184 1 324 . 1 . 1 29 29 PHE HZ H 1 7.590 0.000 . 1 . . . . A 33 PHE HZ . 31184 1 325 . 1 . 1 29 29 PHE CA C 13 58.225 0.000 . 1 . . . . A 33 PHE CA . 31184 1 326 . 1 . 1 29 29 PHE CB C 13 39.247 0.000 . 1 . . . . A 33 PHE CB . 31184 1 327 . 1 . 1 29 29 PHE CD1 C 13 132.629 0.000 . 1 . . . . A 33 PHE CD1 . 31184 1 328 . 1 . 1 29 29 PHE CE1 C 13 131.007 0.010 . 1 . . . . A 33 PHE CE1 . 31184 1 329 . 1 . 1 29 29 PHE CZ C 13 131.391 0.010 . 1 . . . . A 33 PHE CZ . 31184 1 330 . 1 . 1 29 29 PHE N N 15 115.238 0.000 . 1 . . . . A 33 PHE N . 31184 1 331 . 1 . 1 30 30 ASP H H 1 7.273 0.000 . 1 . . . . A 34 ASP H . 31184 1 332 . 1 . 1 30 30 ASP HA H 1 4.841 0.000 . 1 . . . . A 34 ASP HA . 31184 1 333 . 1 . 1 30 30 ASP HB2 H 1 2.175 0.000 . 1 . . . . A 34 ASP HB2 . 31184 1 334 . 1 . 1 30 30 ASP HB3 H 1 2.863 0.000 . 1 . . . . A 34 ASP HB3 . 31184 1 335 . 1 . 1 30 30 ASP CA C 13 52.478 0.000 . 1 . . . . A 34 ASP CA . 31184 1 336 . 1 . 1 30 30 ASP CB C 13 40.238 0.000 . 1 . . . . A 34 ASP CB . 31184 1 337 . 1 . 1 30 30 ASP N N 15 122.020 0.000 . 1 . . . . A 34 ASP N . 31184 1 338 . 1 . 1 31 31 ALA H H 1 8.293 0.000 . 1 . . . . A 35 ALA H . 31184 1 339 . 1 . 1 31 31 ALA HA H 1 4.089 0.000 . 1 . . . . A 35 ALA HA . 31184 1 340 . 1 . 1 31 31 ALA HB1 H 1 1.416 0.000 . 1 . . . . A 35 ALA HB1 . 31184 1 341 . 1 . 1 31 31 ALA HB2 H 1 1.416 0.000 . 1 . . . . A 35 ALA HB2 . 31184 1 342 . 1 . 1 31 31 ALA HB3 H 1 1.416 0.000 . 1 . . . . A 35 ALA HB3 . 31184 1 343 . 1 . 1 31 31 ALA CA C 13 54.713 0.000 . 1 . . . . A 35 ALA CA . 31184 1 344 . 1 . 1 31 31 ALA CB C 13 19.236 0.000 . 1 . . . . A 35 ALA CB . 31184 1 345 . 1 . 1 31 31 ALA N N 15 126.957 0.000 . 1 . . . . A 35 ALA N . 31184 1 346 . 1 . 1 32 32 ASP H H 1 8.310 0.000 . 1 . . . . A 36 ASP H . 31184 1 347 . 1 . 1 32 32 ASP HA H 1 4.742 0.000 . 1 . . . . A 36 ASP HA . 31184 1 348 . 1 . 1 32 32 ASP HB2 H 1 2.705 0.000 . 1 . . . . A 36 ASP HB2 . 31184 1 349 . 1 . 1 32 32 ASP HB3 H 1 2.812 0.000 . 1 . . . . A 36 ASP HB3 . 31184 1 350 . 1 . 1 32 32 ASP CA C 13 54.247 0.000 . 1 . . . . A 36 ASP CA . 31184 1 351 . 1 . 1 32 32 ASP CB C 13 41.565 0.000 . 1 . . . . A 36 ASP CB . 31184 1 352 . 1 . 1 32 32 ASP N N 15 114.167 0.000 . 1 . . . . A 36 ASP N . 31184 1 353 . 1 . 1 33 33 GLY H H 1 8.160 0.000 . 1 . . . . A 37 GLY H . 31184 1 354 . 1 . 1 33 33 GLY HA2 H 1 3.775 0.000 . 1 . . . . A 37 GLY HA2 . 31184 1 355 . 1 . 1 33 33 GLY HA3 H 1 4.029 0.000 . 1 . . . . A 37 GLY HA3 . 31184 1 356 . 1 . 1 33 33 GLY CA C 13 46.660 0.000 . 1 . . . . A 37 GLY CA . 31184 1 357 . 1 . 1 33 33 GLY N N 15 110.652 0.000 . 1 . . . . A 37 GLY N . 31184 1 358 . 1 . 1 34 34 GLY H H 1 8.711 0.000 . 1 . . . . A 38 GLY H . 31184 1 359 . 1 . 1 34 34 GLY HA2 H 1 3.930 0.000 . 1 . . . . A 38 GLY HA2 . 31184 1 360 . 1 . 1 34 34 GLY HA3 H 1 4.153 0.000 . 1 . . . . A 38 GLY HA3 . 31184 1 361 . 1 . 1 34 34 GLY CA C 13 45.827 0.000 . 1 . . . . A 38 GLY CA . 31184 1 362 . 1 . 1 34 34 GLY N N 15 110.048 0.000 . 1 . . . . A 38 GLY N . 31184 1 363 . 1 . 1 35 35 GLY H H 1 10.210 0.000 . 1 . . . . A 39 GLY H . 31184 1 364 . 1 . 1 35 35 GLY HA2 H 1 3.809 0.000 . 1 . . . . A 39 GLY HA2 . 31184 1 365 . 1 . 1 35 35 GLY HA3 H 1 4.328 0.000 . 1 . . . . A 39 GLY HA3 . 31184 1 366 . 1 . 1 35 35 GLY CA C 13 45.610 0.000 . 1 . . . . A 39 GLY CA . 31184 1 367 . 1 . 1 35 35 GLY N N 15 112.523 0.000 . 1 . . . . A 39 GLY N . 31184 1 368 . 1 . 1 36 36 ASP H H 1 7.896 0.000 . 1 . . . . A 40 ASP H . 31184 1 369 . 1 . 1 36 36 ASP HA H 1 5.558 0.000 . 1 . . . . A 40 ASP HA . 31184 1 370 . 1 . 1 36 36 ASP HB2 H 1 2.378 0.000 . 1 . . . . A 40 ASP HB2 . 31184 1 371 . 1 . 1 36 36 ASP HB3 H 1 2.523 0.000 . 1 . . . . A 40 ASP HB3 . 31184 1 372 . 1 . 1 36 36 ASP CA C 13 52.412 0.000 . 1 . . . . A 40 ASP CA . 31184 1 373 . 1 . 1 36 36 ASP CB C 13 42.938 0.000 . 1 . . . . A 40 ASP CB . 31184 1 374 . 1 . 1 36 36 ASP N N 15 118.089 0.000 . 1 . . . . A 40 ASP N . 31184 1 375 . 1 . 1 37 37 ILE H H 1 8.425 0.000 . 1 . . . . A 41 ILE H . 31184 1 376 . 1 . 1 37 37 ILE HA H 1 4.720 0.000 . 1 . . . . A 41 ILE HA . 31184 1 377 . 1 . 1 37 37 ILE HB H 1 1.499 0.000 . 1 . . . . A 41 ILE HB . 31184 1 378 . 1 . 1 37 37 ILE HG12 H 1 0.610 0.000 . 1 . . . . A 41 ILE HG12 . 31184 1 379 . 1 . 1 37 37 ILE HG13 H 1 1.104 0.000 . 1 . . . . A 41 ILE HG13 . 31184 1 380 . 1 . 1 37 37 ILE HG21 H 1 -0.113 0.000 . 1 . . . . A 41 ILE HG21 . 31184 1 381 . 1 . 1 37 37 ILE HG22 H 1 -0.113 0.000 . 1 . . . . A 41 ILE HG22 . 31184 1 382 . 1 . 1 37 37 ILE HG23 H 1 -0.113 0.000 . 1 . . . . A 41 ILE HG23 . 31184 1 383 . 1 . 1 37 37 ILE HD11 H 1 0.150 0.000 . 1 . . . . A 41 ILE HD11 . 31184 1 384 . 1 . 1 37 37 ILE HD12 H 1 0.150 0.000 . 1 . . . . A 41 ILE HD12 . 31184 1 385 . 1 . 1 37 37 ILE HD13 H 1 0.150 0.000 . 1 . . . . A 41 ILE HD13 . 31184 1 386 . 1 . 1 37 37 ILE CA C 13 58.880 0.000 . 1 . . . . A 41 ILE CA . 31184 1 387 . 1 . 1 37 37 ILE CB C 13 41.927 0.000 . 1 . . . . A 41 ILE CB . 31184 1 388 . 1 . 1 37 37 ILE CG1 C 13 24.046 0.000 . 1 . . . . A 41 ILE CG1 . 31184 1 389 . 1 . 1 37 37 ILE CG2 C 13 16.001 0.000 . 1 . . . . A 41 ILE CG2 . 31184 1 390 . 1 . 1 37 37 ILE CD1 C 13 14.279 0.000 . 1 . . . . A 41 ILE CD1 . 31184 1 391 . 1 . 1 37 37 ILE N N 15 111.472 0.000 . 1 . . . . A 41 ILE N . 31184 1 392 . 1 . 1 38 38 SER H H 1 8.574 0.000 . 1 . . . . A 42 SER H . 31184 1 393 . 1 . 1 38 38 SER HA H 1 4.436 0.000 . 1 . . . . A 42 SER HA . 31184 1 394 . 1 . 1 38 38 SER HB2 H 1 3.783 0.000 . 1 . . . . A 42 SER HB2 . 31184 1 395 . 1 . 1 38 38 SER HB3 H 1 4.216 0.000 . 1 . . . . A 42 SER HB3 . 31184 1 396 . 1 . 1 38 38 SER CA C 13 58.025 0.000 . 1 . . . . A 42 SER CA . 31184 1 397 . 1 . 1 38 38 SER CB C 13 64.225 0.000 . 1 . . . . A 42 SER CB . 31184 1 398 . 1 . 1 38 38 SER N N 15 115.106 0.000 . 1 . . . . A 42 SER N . 31184 1 399 . 1 . 1 39 39 TYR H H 1 7.928 0.000 . 1 . . . . A 43 TYR H . 31184 1 400 . 1 . 1 39 39 TYR HA H 1 4.274 0.000 . 1 . . . . A 43 TYR HA . 31184 1 401 . 1 . 1 39 39 TYR HB2 H 1 2.851 0.000 . 1 . . . . A 43 TYR HB2 . 31184 1 402 . 1 . 1 39 39 TYR HB3 H 1 2.988 0.000 . 1 . . . . A 43 TYR HB3 . 31184 1 403 . 1 . 1 39 39 TYR HD1 H 1 6.921 0.000 . 1 . . . . A 43 TYR HD1 . 31184 1 404 . 1 . 1 39 39 TYR HD2 H 1 6.925 0.000 . 1 . . . . A 43 TYR HD2 . 31184 1 405 . 1 . 1 39 39 TYR HE1 H 1 6.836 0.000 . 1 . . . . A 43 TYR HE1 . 31184 1 406 . 1 . 1 39 39 TYR HE2 H 1 6.840 0.000 . 1 . . . . A 43 TYR HE2 . 31184 1 407 . 1 . 1 39 39 TYR CA C 13 61.376 0.000 . 1 . . . . A 43 TYR CA . 31184 1 408 . 1 . 1 39 39 TYR CB C 13 38.613 0.000 . 1 . . . . A 43 TYR CB . 31184 1 409 . 1 . 1 39 39 TYR CD1 C 13 131.659 0.000 . 1 . . . . A 43 TYR CD1 . 31184 1 410 . 1 . 1 39 39 TYR CE1 C 13 119.107 0.000 . 1 . . . . A 43 TYR CE1 . 31184 1 411 . 1 . 1 39 39 TYR N N 15 122.823 0.000 . 1 . . . . A 43 TYR N . 31184 1 412 . 1 . 1 40 40 LYS H H 1 8.275 0.000 . 1 . . . . A 44 LYS H . 31184 1 413 . 1 . 1 40 40 LYS HA H 1 3.996 0.000 . 1 . . . . A 44 LYS HA . 31184 1 414 . 1 . 1 40 40 LYS HB2 H 1 1.772 0.000 . 1 . . . . A 44 LYS HB2 . 31184 1 415 . 1 . 1 40 40 LYS HB3 H 1 1.917 0.000 . 1 . . . . A 44 LYS HB3 . 31184 1 416 . 1 . 1 40 40 LYS HG2 H 1 1.484 0.000 . 1 . . . . A 44 LYS HG2 . 31184 1 417 . 1 . 1 40 40 LYS HG3 H 1 1.491 0.000 . 1 . . . . A 44 LYS HG3 . 31184 1 418 . 1 . 1 40 40 LYS HD2 H 1 1.727 0.000 . 1 . . . . A 44 LYS HD2 . 31184 1 419 . 1 . 1 40 40 LYS HD3 H 1 1.731 0.000 . 1 . . . . A 44 LYS HD3 . 31184 1 420 . 1 . 1 40 40 LYS HE2 H 1 3.023 0.000 . 1 . . . . A 44 LYS HE2 . 31184 1 421 . 1 . 1 40 40 LYS HE3 H 1 3.100 0.000 . 1 . . . . A 44 LYS HE3 . 31184 1 422 . 1 . 1 40 40 LYS CA C 13 58.748 0.000 . 1 . . . . A 44 LYS CA . 31184 1 423 . 1 . 1 40 40 LYS CB C 13 32.488 0.000 . 1 . . . . A 44 LYS CB . 31184 1 424 . 1 . 1 40 40 LYS CG C 13 25.989 0.000 . 1 . . . . A 44 LYS CG . 31184 1 425 . 1 . 1 40 40 LYS CD C 13 29.548 0.000 . 1 . . . . A 44 LYS CD . 31184 1 426 . 1 . 1 40 40 LYS CE C 13 42.282 0.000 . 1 . . . . A 44 LYS CE . 31184 1 427 . 1 . 1 40 40 LYS N N 15 115.654 0.000 . 1 . . . . A 44 LYS N . 31184 1 428 . 1 . 1 41 41 ALA H H 1 7.831 0.000 . 1 . . . . A 45 ALA H . 31184 1 429 . 1 . 1 41 41 ALA HA H 1 4.155 0.000 . 1 . . . . A 45 ALA HA . 31184 1 430 . 1 . 1 41 41 ALA HB1 H 1 1.230 0.000 . 1 . . . . A 45 ALA HB1 . 31184 1 431 . 1 . 1 41 41 ALA HB2 H 1 1.230 0.000 . 1 . . . . A 45 ALA HB2 . 31184 1 432 . 1 . 1 41 41 ALA HB3 H 1 1.230 0.000 . 1 . . . . A 45 ALA HB3 . 31184 1 433 . 1 . 1 41 41 ALA CA C 13 52.813 0.000 . 1 . . . . A 45 ALA CA . 31184 1 434 . 1 . 1 41 41 ALA CB C 13 19.446 0.000 . 1 . . . . A 45 ALA CB . 31184 1 435 . 1 . 1 41 41 ALA N N 15 120.956 0.000 . 1 . . . . A 45 ALA N . 31184 1 436 . 1 . 1 42 42 VAL H H 1 7.370 0.000 . 1 . . . . A 46 VAL H . 31184 1 437 . 1 . 1 42 42 VAL HA H 1 3.278 0.000 . 1 . . . . A 46 VAL HA . 31184 1 438 . 1 . 1 42 42 VAL HB H 1 2.266 0.000 . 1 . . . . A 46 VAL HB . 31184 1 439 . 1 . 1 42 42 VAL HG11 H 1 1.015 0.000 . 1 . . . . A 46 VAL HG11 . 31184 1 440 . 1 . 1 42 42 VAL HG12 H 1 1.015 0.000 . 1 . . . . A 46 VAL HG12 . 31184 1 441 . 1 . 1 42 42 VAL HG13 H 1 1.015 0.000 . 1 . . . . A 46 VAL HG13 . 31184 1 442 . 1 . 1 42 42 VAL HG21 H 1 1.235 0.000 . 1 . . . . A 46 VAL HG21 . 31184 1 443 . 1 . 1 42 42 VAL HG22 H 1 1.235 0.000 . 1 . . . . A 46 VAL HG22 . 31184 1 444 . 1 . 1 42 42 VAL HG23 H 1 1.235 0.000 . 1 . . . . A 46 VAL HG23 . 31184 1 445 . 1 . 1 42 42 VAL CA C 13 67.490 0.000 . 1 . . . . A 46 VAL CA . 31184 1 446 . 1 . 1 42 42 VAL CB C 13 31.370 0.000 . 1 . . . . A 46 VAL CB . 31184 1 447 . 1 . 1 42 42 VAL CG1 C 13 23.149 0.000 . 1 . . . . A 46 VAL CG1 . 31184 1 448 . 1 . 1 42 42 VAL CG2 C 13 25.090 0.000 . 1 . . . . A 46 VAL CG2 . 31184 1 449 . 1 . 1 42 42 VAL N N 15 118.278 0.000 . 1 . . . . A 46 VAL N . 31184 1 450 . 1 . 1 43 43 GLY H H 1 8.767 0.000 . 1 . . . . A 47 GLY H . 31184 1 451 . 1 . 1 43 43 GLY HA2 H 1 3.626 0.000 . 1 . . . . A 47 GLY HA2 . 31184 1 452 . 1 . 1 43 43 GLY HA3 H 1 3.933 0.000 . 1 . . . . A 47 GLY HA3 . 31184 1 453 . 1 . 1 43 43 GLY CA C 13 47.210 0.000 . 1 . . . . A 47 GLY CA . 31184 1 454 . 1 . 1 43 43 GLY N N 15 105.719 0.000 . 1 . . . . A 47 GLY N . 31184 1 455 . 1 . 1 44 44 THR H H 1 7.581 0.000 . 1 . . . . A 48 THR H . 31184 1 456 . 1 . 1 44 44 THR HA H 1 3.884 0.000 . 1 . . . . A 48 THR HA . 31184 1 457 . 1 . 1 44 44 THR HB H 1 3.946 0.000 . 1 . . . . A 48 THR HB . 31184 1 458 . 1 . 1 44 44 THR HG21 H 1 1.231 0.000 . 1 . . . . A 48 THR HG21 . 31184 1 459 . 1 . 1 44 44 THR HG22 H 1 1.231 0.000 . 1 . . . . A 48 THR HG22 . 31184 1 460 . 1 . 1 44 44 THR HG23 H 1 1.231 0.000 . 1 . . . . A 48 THR HG23 . 31184 1 461 . 1 . 1 44 44 THR CA C 13 66.481 0.000 . 1 . . . . A 48 THR CA . 31184 1 462 . 1 . 1 44 44 THR CB C 13 68.055 0.000 . 1 . . . . A 48 THR CB . 31184 1 463 . 1 . 1 44 44 THR CG2 C 13 23.418 0.000 . 1 . . . . A 48 THR CG2 . 31184 1 464 . 1 . 1 44 44 THR N N 15 119.755 0.000 . 1 . . . . A 48 THR N . 31184 1 465 . 1 . 1 45 45 VAL H H 1 7.848 0.000 . 1 . . . . A 49 VAL H . 31184 1 466 . 1 . 1 45 45 VAL HA H 1 3.496 0.000 . 1 . . . . A 49 VAL HA . 31184 1 467 . 1 . 1 45 45 VAL HB H 1 2.114 0.000 . 1 . . . . A 49 VAL HB . 31184 1 468 . 1 . 1 45 45 VAL HG11 H 1 0.577 0.000 . 1 . . . . A 49 VAL HG11 . 31184 1 469 . 1 . 1 45 45 VAL HG12 H 1 0.577 0.000 . 1 . . . . A 49 VAL HG12 . 31184 1 470 . 1 . 1 45 45 VAL HG13 H 1 0.577 0.000 . 1 . . . . A 49 VAL HG13 . 31184 1 471 . 1 . 1 45 45 VAL HG21 H 1 0.818 0.000 . 1 . . . . A 49 VAL HG21 . 31184 1 472 . 1 . 1 45 45 VAL HG22 H 1 0.818 0.000 . 1 . . . . A 49 VAL HG22 . 31184 1 473 . 1 . 1 45 45 VAL HG23 H 1 0.818 0.000 . 1 . . . . A 49 VAL HG23 . 31184 1 474 . 1 . 1 45 45 VAL CA C 13 67.277 0.000 . 1 . . . . A 49 VAL CA . 31184 1 475 . 1 . 1 45 45 VAL CB C 13 31.135 0.000 . 1 . . . . A 49 VAL CB . 31184 1 476 . 1 . 1 45 45 VAL CG1 C 13 23.375 0.000 . 1 . . . . A 49 VAL CG1 . 31184 1 477 . 1 . 1 45 45 VAL CG2 C 13 23.511 0.000 . 1 . . . . A 49 VAL CG2 . 31184 1 478 . 1 . 1 45 45 VAL N N 15 123.769 0.000 . 1 . . . . A 49 VAL N . 31184 1 479 . 1 . 1 46 46 PHE H H 1 8.275 0.000 . 1 . . . . A 50 PHE H . 31184 1 480 . 1 . 1 46 46 PHE HA H 1 3.991 0.000 . 1 . . . . A 50 PHE HA . 31184 1 481 . 1 . 1 46 46 PHE HB2 H 1 3.238 0.000 . 1 . . . . A 50 PHE HB2 . 31184 1 482 . 1 . 1 46 46 PHE HB3 H 1 3.521 0.000 . 1 . . . . A 50 PHE HB3 . 31184 1 483 . 1 . 1 46 46 PHE HD1 H 1 7.246 0.000 . 1 . . . . A 50 PHE HD1 . 31184 1 484 . 1 . 1 46 46 PHE HD2 H 1 7.252 0.000 . 1 . . . . A 50 PHE HD2 . 31184 1 485 . 1 . 1 46 46 PHE HE1 H 1 6.947 0.000 . 1 . . . . A 50 PHE HE1 . 31184 1 486 . 1 . 1 46 46 PHE HE2 H 1 6.956 0.000 . 1 . . . . A 50 PHE HE2 . 31184 1 487 . 1 . 1 46 46 PHE HZ H 1 6.647 0.000 . 1 . . . . A 50 PHE HZ . 31184 1 488 . 1 . 1 46 46 PHE CA C 13 62.853 0.000 . 1 . . . . A 50 PHE CA . 31184 1 489 . 1 . 1 46 46 PHE CB C 13 37.644 0.000 . 1 . . . . A 50 PHE CB . 31184 1 490 . 1 . 1 46 46 PHE CD1 C 13 130.887 0.000 . 1 . . . . A 50 PHE CD1 . 31184 1 491 . 1 . 1 46 46 PHE CE1 C 13 131.164 0.010 . 1 . . . . A 50 PHE CE1 . 31184 1 492 . 1 . 1 46 46 PHE CZ C 13 128.487 0.000 . 1 . . . . A 50 PHE CZ . 31184 1 493 . 1 . 1 46 46 PHE N N 15 117.312 0.000 . 1 . . . . A 50 PHE N . 31184 1 494 . 1 . 1 47 47 ARG H H 1 7.766 0.000 . 1 . . . . A 51 ARG H . 31184 1 495 . 1 . 1 47 47 ARG HA H 1 4.228 0.000 . 1 . . . . A 51 ARG HA . 31184 1 496 . 1 . 1 47 47 ARG HB2 H 1 2.029 0.000 . 1 . . . . A 51 ARG HB2 . 31184 1 497 . 1 . 1 47 47 ARG HB3 H 1 2.030 0.000 . 1 . . . . A 51 ARG HB3 . 31184 1 498 . 1 . 1 47 47 ARG HG2 H 1 1.725 0.000 . 1 . . . . A 51 ARG HG2 . 31184 1 499 . 1 . 1 47 47 ARG HG3 H 1 1.857 0.000 . 1 . . . . A 51 ARG HG3 . 31184 1 500 . 1 . 1 47 47 ARG HD2 H 1 3.268 0.000 . 1 . . . . A 51 ARG HD2 . 31184 1 501 . 1 . 1 47 47 ARG HD3 H 1 3.270 0.000 . 1 . . . . A 51 ARG HD3 . 31184 1 502 . 1 . 1 47 47 ARG HE H 1 8.554 0.000 . 1 . . . . A 51 ARG HE . 31184 1 503 . 1 . 1 47 47 ARG CA C 13 59.582 0.000 . 1 . . . . A 51 ARG CA . 31184 1 504 . 1 . 1 47 47 ARG CB C 13 29.841 0.000 . 1 . . . . A 51 ARG CB . 31184 1 505 . 1 . 1 47 47 ARG CG C 13 27.823 0.000 . 1 . . . . A 51 ARG CG . 31184 1 506 . 1 . 1 47 47 ARG CD C 13 43.470 0.000 . 1 . . . . A 51 ARG CD . 31184 1 507 . 1 . 1 47 47 ARG N N 15 117.431 0.000 . 1 . . . . A 51 ARG N . 31184 1 508 . 1 . 1 48 48 MET H H 1 8.565 0.000 . 1 . . . . A 52 MET H . 31184 1 509 . 1 . 1 48 48 MET HA H 1 4.186 0.000 . 1 . . . . A 52 MET HA . 31184 1 510 . 1 . 1 48 48 MET HB2 H 1 2.386 0.000 . 1 . . . . A 52 MET HB2 . 31184 1 511 . 1 . 1 48 48 MET HB3 H 1 2.393 0.000 . 1 . . . . A 52 MET HB3 . 31184 1 512 . 1 . 1 48 48 MET HG2 H 1 2.709 0.000 . 1 . . . . A 52 MET HG2 . 31184 1 513 . 1 . 1 48 48 MET HG3 H 1 2.811 0.000 . 1 . . . . A 52 MET HG3 . 31184 1 514 . 1 . 1 48 48 MET HE1 H 1 2.263 0.000 . 1 . . . . A 52 MET HE1 . 31184 1 515 . 1 . 1 48 48 MET HE2 H 1 2.263 0.000 . 1 . . . . A 52 MET HE2 . 31184 1 516 . 1 . 1 48 48 MET HE3 H 1 2.263 0.000 . 1 . . . . A 52 MET HE3 . 31184 1 517 . 1 . 1 48 48 MET CA C 13 59.085 0.000 . 1 . . . . A 52 MET CA . 31184 1 518 . 1 . 1 48 48 MET CB C 13 33.103 0.000 . 1 . . . . A 52 MET CB . 31184 1 519 . 1 . 1 48 48 MET CG C 13 32.109 0.000 . 1 . . . . A 52 MET CG . 31184 1 520 . 1 . 1 48 48 MET CE C 13 17.347 0.000 . 1 . . . . A 52 MET CE . 31184 1 521 . 1 . 1 48 48 MET N N 15 121.141 0.000 . 1 . . . . A 52 MET N . 31184 1 522 . 1 . 1 49 49 LEU H H 1 7.778 0.000 . 1 . . . . A 53 LEU H . 31184 1 523 . 1 . 1 49 49 LEU HA H 1 4.409 0.000 . 1 . . . . A 53 LEU HA . 31184 1 524 . 1 . 1 49 49 LEU HB2 H 1 1.656 0.000 . 1 . . . . A 53 LEU HB2 . 31184 1 525 . 1 . 1 49 49 LEU HB3 H 1 1.887 0.000 . 1 . . . . A 53 LEU HB3 . 31184 1 526 . 1 . 1 49 49 LEU HG H 1 1.900 0.000 . 1 . . . . A 53 LEU HG . 31184 1 527 . 1 . 1 49 49 LEU HD11 H 1 1.162 0.000 . 1 . . . . A 53 LEU HD11 . 31184 1 528 . 1 . 1 49 49 LEU HD12 H 1 1.162 0.000 . 1 . . . . A 53 LEU HD12 . 31184 1 529 . 1 . 1 49 49 LEU HD13 H 1 1.162 0.000 . 1 . . . . A 53 LEU HD13 . 31184 1 530 . 1 . 1 49 49 LEU HD21 H 1 0.822 0.000 . 1 . . . . A 53 LEU HD21 . 31184 1 531 . 1 . 1 49 49 LEU HD22 H 1 0.822 0.000 . 1 . . . . A 53 LEU HD22 . 31184 1 532 . 1 . 1 49 49 LEU HD23 H 1 0.822 0.000 . 1 . . . . A 53 LEU HD23 . 31184 1 533 . 1 . 1 49 49 LEU CA C 13 54.940 0.000 . 1 . . . . A 53 LEU CA . 31184 1 534 . 1 . 1 49 49 LEU CB C 13 43.139 0.000 . 1 . . . . A 53 LEU CB . 31184 1 535 . 1 . 1 49 49 LEU CG C 13 26.826 0.000 . 1 . . . . A 53 LEU CG . 31184 1 536 . 1 . 1 49 49 LEU CD1 C 13 22.692 0.000 . 1 . . . . A 53 LEU CD1 . 31184 1 537 . 1 . 1 49 49 LEU CD2 C 13 26.704 0.000 . 1 . . . . A 53 LEU CD2 . 31184 1 538 . 1 . 1 49 49 LEU N N 15 117.640 0.000 . 1 . . . . A 53 LEU N . 31184 1 539 . 1 . 1 50 50 GLY H H 1 7.981 0.000 . 1 . . . . A 54 GLY H . 31184 1 540 . 1 . 1 50 50 GLY HA2 H 1 3.874 0.000 . 1 . . . . A 54 GLY HA2 . 31184 1 541 . 1 . 1 50 50 GLY HA3 H 1 4.077 0.000 . 1 . . . . A 54 GLY HA3 . 31184 1 542 . 1 . 1 50 50 GLY CA C 13 46.187 0.000 . 1 . . . . A 54 GLY CA . 31184 1 543 . 1 . 1 50 50 GLY N N 15 108.438 0.000 . 1 . . . . A 54 GLY N . 31184 1 544 . 1 . 1 51 51 ILE H H 1 7.872 0.000 . 1 . . . . A 55 ILE H . 31184 1 545 . 1 . 1 51 51 ILE HA H 1 4.272 0.000 . 1 . . . . A 55 ILE HA . 31184 1 546 . 1 . 1 51 51 ILE HB H 1 1.575 0.000 . 1 . . . . A 55 ILE HB . 31184 1 547 . 1 . 1 51 51 ILE HG12 H 1 1.148 0.000 . 1 . . . . A 55 ILE HG12 . 31184 1 548 . 1 . 1 51 51 ILE HG13 H 1 1.353 0.000 . 1 . . . . A 55 ILE HG13 . 31184 1 549 . 1 . 1 51 51 ILE HG21 H 1 0.760 0.000 . 1 . . . . A 55 ILE HG21 . 31184 1 550 . 1 . 1 51 51 ILE HG22 H 1 0.760 0.000 . 1 . . . . A 55 ILE HG22 . 31184 1 551 . 1 . 1 51 51 ILE HG23 H 1 0.760 0.000 . 1 . . . . A 55 ILE HG23 . 31184 1 552 . 1 . 1 51 51 ILE HD11 H 1 0.784 0.000 . 1 . . . . A 55 ILE HD11 . 31184 1 553 . 1 . 1 51 51 ILE HD12 H 1 0.784 0.000 . 1 . . . . A 55 ILE HD12 . 31184 1 554 . 1 . 1 51 51 ILE HD13 H 1 0.784 0.000 . 1 . . . . A 55 ILE HD13 . 31184 1 555 . 1 . 1 51 51 ILE CA C 13 58.823 0.000 . 1 . . . . A 55 ILE CA . 31184 1 556 . 1 . 1 51 51 ILE CB C 13 40.401 0.000 . 1 . . . . A 55 ILE CB . 31184 1 557 . 1 . 1 51 51 ILE CG1 C 13 27.218 0.000 . 1 . . . . A 55 ILE CG1 . 31184 1 558 . 1 . 1 51 51 ILE CG2 C 13 17.133 0.000 . 1 . . . . A 55 ILE CG2 . 31184 1 559 . 1 . 1 51 51 ILE CD1 C 13 12.554 0.000 . 1 . . . . A 55 ILE CD1 . 31184 1 560 . 1 . 1 51 51 ILE N N 15 120.966 0.000 . 1 . . . . A 55 ILE N . 31184 1 561 . 1 . 1 52 52 ASN H H 1 8.809 0.000 . 1 . . . . A 56 ASN H . 31184 1 562 . 1 . 1 52 52 ASN HA H 1 5.072 0.000 . 1 . . . . A 56 ASN HA . 31184 1 563 . 1 . 1 52 52 ASN HB2 H 1 2.675 0.000 . 1 . . . . A 56 ASN HB2 . 31184 1 564 . 1 . 1 52 52 ASN HB3 H 1 2.695 0.000 . 1 . . . . A 56 ASN HB3 . 31184 1 565 . 1 . 1 52 52 ASN HD21 H 1 6.908 0.000 . 1 . . . . A 56 ASN HD21 . 31184 1 566 . 1 . 1 52 52 ASN HD22 H 1 7.681 0.000 . 1 . . . . A 56 ASN HD22 . 31184 1 567 . 1 . 1 52 52 ASN CA C 13 50.235 0.000 . 1 . . . . A 56 ASN CA . 31184 1 568 . 1 . 1 52 52 ASN CB C 13 38.815 0.000 . 1 . . . . A 56 ASN CB . 31184 1 569 . 1 . 1 52 52 ASN N N 15 126.762 0.000 . 1 . . . . A 56 ASN N . 31184 1 570 . 1 . 1 52 52 ASN ND2 N 15 114.388 0.000 . 1 . . . . A 56 ASN ND2 . 31184 1 571 . 1 . 1 53 53 PRO HA H 1 4.218 0.000 . 1 . . . . A 57 PRO HA . 31184 1 572 . 1 . 1 53 53 PRO HB2 H 1 1.029 0.000 . 1 . . . . A 57 PRO HB2 . 31184 1 573 . 1 . 1 53 53 PRO HB3 H 1 1.444 0.000 . 1 . . . . A 57 PRO HB3 . 31184 1 574 . 1 . 1 53 53 PRO HG2 H 1 1.376 0.000 . 1 . . . . A 57 PRO HG2 . 31184 1 575 . 1 . 1 53 53 PRO HG3 H 1 1.842 0.000 . 1 . . . . A 57 PRO HG3 . 31184 1 576 . 1 . 1 53 53 PRO HD2 H 1 3.783 0.000 . 1 . . . . A 57 PRO HD2 . 31184 1 577 . 1 . 1 53 53 PRO HD3 H 1 3.784 0.000 . 1 . . . . A 57 PRO HD3 . 31184 1 578 . 1 . 1 53 53 PRO CA C 13 61.816 0.000 . 1 . . . . A 57 PRO CA . 31184 1 579 . 1 . 1 53 53 PRO CB C 13 31.080 0.000 . 1 . . . . A 57 PRO CB . 31184 1 580 . 1 . 1 53 53 PRO CG C 13 27.002 0.000 . 1 . . . . A 57 PRO CG . 31184 1 581 . 1 . 1 53 53 PRO CD C 13 50.652 0.000 . 1 . . . . A 57 PRO CD . 31184 1 582 . 1 . 1 54 54 SER H H 1 7.540 0.000 . 1 . . . . A 58 SER H . 31184 1 583 . 1 . 1 54 54 SER HA H 1 4.410 0.000 . 1 . . . . A 58 SER HA . 31184 1 584 . 1 . 1 54 54 SER HB2 H 1 4.016 0.000 . 1 . . . . A 58 SER HB2 . 31184 1 585 . 1 . 1 54 54 SER HB3 H 1 4.393 0.000 . 1 . . . . A 58 SER HB3 . 31184 1 586 . 1 . 1 54 54 SER CA C 13 57.346 0.000 . 1 . . . . A 58 SER CA . 31184 1 587 . 1 . 1 54 54 SER CB C 13 65.391 0.000 . 1 . . . . A 58 SER CB . 31184 1 588 . 1 . 1 54 54 SER N N 15 116.271 0.000 . 1 . . . . A 58 SER N . 31184 1 589 . 1 . 1 55 55 LYS H H 1 8.988 0.000 . 1 . . . . A 59 LYS H . 31184 1 590 . 1 . 1 55 55 LYS HA H 1 3.862 0.000 . 1 . . . . A 59 LYS HA . 31184 1 591 . 1 . 1 55 55 LYS HB2 H 1 1.756 0.000 . 1 . . . . A 59 LYS HB2 . 31184 1 592 . 1 . 1 55 55 LYS HB3 H 1 1.926 0.000 . 1 . . . . A 59 LYS HB3 . 31184 1 593 . 1 . 1 55 55 LYS HG2 H 1 1.434 0.000 . 1 . . . . A 59 LYS HG2 . 31184 1 594 . 1 . 1 55 55 LYS HG3 H 1 1.437 0.000 . 1 . . . . A 59 LYS HG3 . 31184 1 595 . 1 . 1 55 55 LYS HD2 H 1 1.622 0.000 . 1 . . . . A 59 LYS HD2 . 31184 1 596 . 1 . 1 55 55 LYS HD3 H 1 1.713 0.000 . 1 . . . . A 59 LYS HD3 . 31184 1 597 . 1 . 1 55 55 LYS HE2 H 1 3.003 0.000 . 1 . . . . A 59 LYS HE2 . 31184 1 598 . 1 . 1 55 55 LYS HE3 H 1 3.010 0.000 . 1 . . . . A 59 LYS HE3 . 31184 1 599 . 1 . 1 55 55 LYS CA C 13 59.877 0.000 . 1 . . . . A 59 LYS CA . 31184 1 600 . 1 . 1 55 55 LYS CB C 13 32.338 0.000 . 1 . . . . A 59 LYS CB . 31184 1 601 . 1 . 1 55 55 LYS CG C 13 24.689 0.000 . 1 . . . . A 59 LYS CG . 31184 1 602 . 1 . 1 55 55 LYS CD C 13 29.165 0.000 . 1 . . . . A 59 LYS CD . 31184 1 603 . 1 . 1 55 55 LYS CE C 13 42.324 0.000 . 1 . . . . A 59 LYS CE . 31184 1 604 . 1 . 1 55 55 LYS N N 15 123.067 0.000 . 1 . . . . A 59 LYS N . 31184 1 605 . 1 . 1 56 56 GLU H H 1 8.797 0.000 . 1 . . . . A 60 GLU H . 31184 1 606 . 1 . 1 56 56 GLU HA H 1 4.029 0.000 . 1 . . . . A 60 GLU HA . 31184 1 607 . 1 . 1 56 56 GLU HB2 H 1 1.765 0.000 . 1 . . . . A 60 GLU HB2 . 31184 1 608 . 1 . 1 56 56 GLU HB3 H 1 1.835 0.010 . 1 . . . . A 60 GLU HB3 . 31184 1 609 . 1 . 1 56 56 GLU HG2 H 1 2.269 0.000 . 1 . . . . A 60 GLU HG2 . 31184 1 610 . 1 . 1 56 56 GLU HG3 H 1 2.361 0.000 . 1 . . . . A 60 GLU HG3 . 31184 1 611 . 1 . 1 56 56 GLU CA C 13 60.166 0.000 . 1 . . . . A 60 GLU CA . 31184 1 612 . 1 . 1 56 56 GLU CB C 13 29.021 0.000 . 1 . . . . A 60 GLU CB . 31184 1 613 . 1 . 1 56 56 GLU CG C 13 36.872 0.000 . 1 . . . . A 60 GLU CG . 31184 1 614 . 1 . 1 56 56 GLU N N 15 116.317 0.000 . 1 . . . . A 60 GLU N . 31184 1 615 . 1 . 1 57 57 VAL H H 1 7.378 0.000 . 1 . . . . A 61 VAL H . 31184 1 616 . 1 . 1 57 57 VAL HA H 1 3.565 0.000 . 1 . . . . A 61 VAL HA . 31184 1 617 . 1 . 1 57 57 VAL HB H 1 2.192 0.000 . 1 . . . . A 61 VAL HB . 31184 1 618 . 1 . 1 57 57 VAL HG11 H 1 0.810 0.000 . 1 . . . . A 61 VAL HG11 . 31184 1 619 . 1 . 1 57 57 VAL HG12 H 1 0.810 0.000 . 1 . . . . A 61 VAL HG12 . 31184 1 620 . 1 . 1 57 57 VAL HG13 H 1 0.810 0.000 . 1 . . . . A 61 VAL HG13 . 31184 1 621 . 1 . 1 57 57 VAL HG21 H 1 1.059 0.000 . 1 . . . . A 61 VAL HG21 . 31184 1 622 . 1 . 1 57 57 VAL HG22 H 1 1.059 0.000 . 1 . . . . A 61 VAL HG22 . 31184 1 623 . 1 . 1 57 57 VAL HG23 H 1 1.059 0.000 . 1 . . . . A 61 VAL HG23 . 31184 1 624 . 1 . 1 57 57 VAL CA C 13 66.731 0.000 . 1 . . . . A 61 VAL CA . 31184 1 625 . 1 . 1 57 57 VAL CB C 13 31.336 0.000 . 1 . . . . A 61 VAL CB . 31184 1 626 . 1 . 1 57 57 VAL CG1 C 13 21.770 0.000 . 1 . . . . A 61 VAL CG1 . 31184 1 627 . 1 . 1 57 57 VAL CG2 C 13 24.347 0.000 . 1 . . . . A 61 VAL CG2 . 31184 1 628 . 1 . 1 57 57 VAL N N 15 120.958 0.000 . 1 . . . . A 61 VAL N . 31184 1 629 . 1 . 1 58 58 LEU H H 1 8.082 0.000 . 1 . . . . A 62 LEU H . 31184 1 630 . 1 . 1 58 58 LEU HA H 1 3.960 0.000 . 1 . . . . A 62 LEU HA . 31184 1 631 . 1 . 1 58 58 LEU HB2 H 1 1.464 0.000 . 1 . . . . A 62 LEU HB2 . 31184 1 632 . 1 . 1 58 58 LEU HB3 H 1 1.906 0.000 . 1 . . . . A 62 LEU HB3 . 31184 1 633 . 1 . 1 58 58 LEU HG H 1 1.495 0.000 . 1 . . . . A 62 LEU HG . 31184 1 634 . 1 . 1 58 58 LEU HD11 H 1 0.741 0.000 . 1 . . . . A 62 LEU HD11 . 31184 1 635 . 1 . 1 58 58 LEU HD12 H 1 0.741 0.000 . 1 . . . . A 62 LEU HD12 . 31184 1 636 . 1 . 1 58 58 LEU HD13 H 1 0.741 0.000 . 1 . . . . A 62 LEU HD13 . 31184 1 637 . 1 . 1 58 58 LEU HD21 H 1 0.790 0.000 . 1 . . . . A 62 LEU HD21 . 31184 1 638 . 1 . 1 58 58 LEU HD22 H 1 0.790 0.000 . 1 . . . . A 62 LEU HD22 . 31184 1 639 . 1 . 1 58 58 LEU HD23 H 1 0.790 0.000 . 1 . . . . A 62 LEU HD23 . 31184 1 640 . 1 . 1 58 58 LEU CA C 13 58.391 0.000 . 1 . . . . A 62 LEU CA . 31184 1 641 . 1 . 1 58 58 LEU CB C 13 41.028 0.000 . 1 . . . . A 62 LEU CB . 31184 1 642 . 1 . 1 58 58 LEU CG C 13 26.734 0.000 . 1 . . . . A 62 LEU CG . 31184 1 643 . 1 . 1 58 58 LEU CD1 C 13 22.094 0.000 . 1 . . . . A 62 LEU CD1 . 31184 1 644 . 1 . 1 58 58 LEU CD2 C 13 25.346 0.000 . 1 . . . . A 62 LEU CD2 . 31184 1 645 . 1 . 1 58 58 LEU N N 15 120.233 0.000 . 1 . . . . A 62 LEU N . 31184 1 646 . 1 . 1 59 59 ASP H H 1 8.701 0.000 . 1 . . . . A 63 ASP H . 31184 1 647 . 1 . 1 59 59 ASP HA H 1 4.354 0.000 . 1 . . . . A 63 ASP HA . 31184 1 648 . 1 . 1 59 59 ASP HB2 H 1 2.663 0.000 . 1 . . . . A 63 ASP HB2 . 31184 1 649 . 1 . 1 59 59 ASP HB3 H 1 2.682 0.000 . 1 . . . . A 63 ASP HB3 . 31184 1 650 . 1 . 1 59 59 ASP CA C 13 57.316 0.000 . 1 . . . . A 63 ASP CA . 31184 1 651 . 1 . 1 59 59 ASP CB C 13 40.022 0.000 . 1 . . . . A 63 ASP CB . 31184 1 652 . 1 . 1 59 59 ASP N N 15 120.611 0.000 . 1 . . . . A 63 ASP N . 31184 1 653 . 1 . 1 60 60 TYR H H 1 7.766 0.000 . 1 . . . . A 64 TYR H . 31184 1 654 . 1 . 1 60 60 TYR HA H 1 4.185 0.000 . 1 . . . . A 64 TYR HA . 31184 1 655 . 1 . 1 60 60 TYR HB2 H 1 3.117 0.000 . 1 . . . . A 64 TYR HB2 . 31184 1 656 . 1 . 1 60 60 TYR HB3 H 1 3.236 0.000 . 1 . . . . A 64 TYR HB3 . 31184 1 657 . 1 . 1 60 60 TYR HD1 H 1 6.958 0.000 . 1 . . . . A 64 TYR HD1 . 31184 1 658 . 1 . 1 60 60 TYR HD2 H 1 6.969 0.000 . 1 . . . . A 64 TYR HD2 . 31184 1 659 . 1 . 1 60 60 TYR HE1 H 1 6.762 0.000 . 1 . . . . A 64 TYR HE1 . 31184 1 660 . 1 . 1 60 60 TYR HE2 H 1 6.771 0.010 . 1 . . . . A 64 TYR HE2 . 31184 1 661 . 1 . 1 60 60 TYR CA C 13 61.154 0.000 . 1 . . . . A 64 TYR CA . 31184 1 662 . 1 . 1 60 60 TYR CB C 13 38.443 0.000 . 1 . . . . A 64 TYR CB . 31184 1 663 . 1 . 1 60 60 TYR CD1 C 13 133.446 0.000 . 1 . . . . A 64 TYR CD1 . 31184 1 664 . 1 . 1 60 60 TYR CE1 C 13 118.139 0.000 . 1 . . . . A 64 TYR CE1 . 31184 1 665 . 1 . 1 60 60 TYR N N 15 122.943 0.000 . 1 . . . . A 64 TYR N . 31184 1 666 . 1 . 1 61 61 LEU H H 1 8.357 0.000 . 1 . . . . A 65 LEU H . 31184 1 667 . 1 . 1 61 61 LEU HA H 1 3.627 0.000 . 1 . . . . A 65 LEU HA . 31184 1 668 . 1 . 1 61 61 LEU HB2 H 1 1.343 0.000 . 1 . . . . A 65 LEU HB2 . 31184 1 669 . 1 . 1 61 61 LEU HB3 H 1 1.922 0.000 . 1 . . . . A 65 LEU HB3 . 31184 1 670 . 1 . 1 61 61 LEU HG H 1 2.037 0.000 . 1 . . . . A 65 LEU HG . 31184 1 671 . 1 . 1 61 61 LEU HD11 H 1 0.969 0.000 . 1 . . . . A 65 LEU HD11 . 31184 1 672 . 1 . 1 61 61 LEU HD12 H 1 0.969 0.000 . 1 . . . . A 65 LEU HD12 . 31184 1 673 . 1 . 1 61 61 LEU HD13 H 1 0.969 0.000 . 1 . . . . A 65 LEU HD13 . 31184 1 674 . 1 . 1 61 61 LEU HD21 H 1 0.888 0.000 . 1 . . . . A 65 LEU HD21 . 31184 1 675 . 1 . 1 61 61 LEU HD22 H 1 0.888 0.000 . 1 . . . . A 65 LEU HD22 . 31184 1 676 . 1 . 1 61 61 LEU HD23 H 1 0.888 0.000 . 1 . . . . A 65 LEU HD23 . 31184 1 677 . 1 . 1 61 61 LEU CA C 13 57.650 0.000 . 1 . . . . A 65 LEU CA . 31184 1 678 . 1 . 1 61 61 LEU CB C 13 41.814 0.000 . 1 . . . . A 65 LEU CB . 31184 1 679 . 1 . 1 61 61 LEU CG C 13 26.977 0.000 . 1 . . . . A 65 LEU CG . 31184 1 680 . 1 . 1 61 61 LEU CD1 C 13 22.594 0.000 . 1 . . . . A 65 LEU CD1 . 31184 1 681 . 1 . 1 61 61 LEU CD2 C 13 25.343 0.000 . 1 . . . . A 65 LEU CD2 . 31184 1 682 . 1 . 1 61 61 LEU N N 15 118.361 0.000 . 1 . . . . A 65 LEU N . 31184 1 683 . 1 . 1 62 62 LYS H H 1 8.046 0.000 . 1 . . . . A 66 LYS H . 31184 1 684 . 1 . 1 62 62 LYS HA H 1 3.840 0.000 . 1 . . . . A 66 LYS HA . 31184 1 685 . 1 . 1 62 62 LYS HB2 H 1 1.924 0.000 . 1 . . . . A 66 LYS HB2 . 31184 1 686 . 1 . 1 62 62 LYS HB3 H 1 1.928 0.000 . 1 . . . . A 66 LYS HB3 . 31184 1 687 . 1 . 1 62 62 LYS HG2 H 1 1.372 0.000 . 1 . . . . A 66 LYS HG2 . 31184 1 688 . 1 . 1 62 62 LYS HG3 H 1 1.490 0.000 . 1 . . . . A 66 LYS HG3 . 31184 1 689 . 1 . 1 62 62 LYS HD2 H 1 1.664 0.000 . 1 . . . . A 66 LYS HD2 . 31184 1 690 . 1 . 1 62 62 LYS HD3 H 1 1.675 0.000 . 1 . . . . A 66 LYS HD3 . 31184 1 691 . 1 . 1 62 62 LYS HE2 H 1 2.954 0.000 . 1 . . . . A 66 LYS HE2 . 31184 1 692 . 1 . 1 62 62 LYS HE3 H 1 2.958 0.000 . 1 . . . . A 66 LYS HE3 . 31184 1 693 . 1 . 1 62 62 LYS CA C 13 59.736 0.000 . 1 . . . . A 66 LYS CA . 31184 1 694 . 1 . 1 62 62 LYS CB C 13 32.430 0.000 . 1 . . . . A 66 LYS CB . 31184 1 695 . 1 . 1 62 62 LYS CG C 13 24.843 0.000 . 1 . . . . A 66 LYS CG . 31184 1 696 . 1 . 1 62 62 LYS CD C 13 29.285 0.000 . 1 . . . . A 66 LYS CD . 31184 1 697 . 1 . 1 62 62 LYS CE C 13 42.277 0.000 . 1 . . . . A 66 LYS CE . 31184 1 698 . 1 . 1 62 62 LYS N N 15 118.610 0.000 . 1 . . . . A 66 LYS N . 31184 1 699 . 1 . 1 63 63 GLU H H 1 7.648 0.000 . 1 . . . . A 67 GLU H . 31184 1 700 . 1 . 1 63 63 GLU HA H 1 3.985 0.000 . 1 . . . . A 67 GLU HA . 31184 1 701 . 1 . 1 63 63 GLU HB2 H 1 1.989 0.000 . 1 . . . . A 67 GLU HB2 . 31184 1 702 . 1 . 1 63 63 GLU HB3 H 1 1.997 0.000 . 1 . . . . A 67 GLU HB3 . 31184 1 703 . 1 . 1 63 63 GLU HG2 H 1 2.170 0.000 . 1 . . . . A 67 GLU HG2 . 31184 1 704 . 1 . 1 63 63 GLU HG3 H 1 2.314 0.000 . 1 . . . . A 67 GLU HG3 . 31184 1 705 . 1 . 1 63 63 GLU CA C 13 59.002 0.000 . 1 . . . . A 67 GLU CA . 31184 1 706 . 1 . 1 63 63 GLU CB C 13 29.452 0.000 . 1 . . . . A 67 GLU CB . 31184 1 707 . 1 . 1 63 63 GLU CG C 13 36.366 0.000 . 1 . . . . A 67 GLU CG . 31184 1 708 . 1 . 1 63 63 GLU N N 15 117.921 0.000 . 1 . . . . A 67 GLU N . 31184 1 709 . 1 . 1 64 64 LYS H H 1 7.569 0.000 . 1 . . . . A 68 LYS H . 31184 1 710 . 1 . 1 64 64 LYS HA H 1 3.751 0.000 . 1 . . . . A 68 LYS HA . 31184 1 711 . 1 . 1 64 64 LYS HB2 H 1 0.839 0.000 . 1 . . . . A 68 LYS HB2 . 31184 1 712 . 1 . 1 64 64 LYS HB3 H 1 1.150 0.000 . 1 . . . . A 68 LYS HB3 . 31184 1 713 . 1 . 1 64 64 LYS HG2 H 1 0.616 0.000 . 1 . . . . A 68 LYS HG2 . 31184 1 714 . 1 . 1 64 64 LYS HG3 H 1 0.877 0.000 . 1 . . . . A 68 LYS HG3 . 31184 1 715 . 1 . 1 64 64 LYS HD2 H 1 1.277 0.000 . 1 . . . . A 68 LYS HD2 . 31184 1 716 . 1 . 1 64 64 LYS HD3 H 1 1.291 0.000 . 1 . . . . A 68 LYS HD3 . 31184 1 717 . 1 . 1 64 64 LYS HE2 H 1 2.651 0.000 . 1 . . . . A 68 LYS HE2 . 31184 1 718 . 1 . 1 64 64 LYS HE3 H 1 2.868 0.000 . 1 . . . . A 68 LYS HE3 . 31184 1 719 . 1 . 1 64 64 LYS CA C 13 57.449 0.000 . 1 . . . . A 68 LYS CA . 31184 1 720 . 1 . 1 64 64 LYS CB C 13 30.633 0.000 . 1 . . . . A 68 LYS CB . 31184 1 721 . 1 . 1 64 64 LYS CG C 13 23.993 0.000 . 1 . . . . A 68 LYS CG . 31184 1 722 . 1 . 1 64 64 LYS CD C 13 27.810 0.000 . 1 . . . . A 68 LYS CD . 31184 1 723 . 1 . 1 64 64 LYS CE C 13 42.266 0.000 . 1 . . . . A 68 LYS CE . 31184 1 724 . 1 . 1 64 64 LYS N N 15 117.423 0.000 . 1 . . . . A 68 LYS N . 31184 1 725 . 1 . 1 65 65 ILE H H 1 8.070 0.000 . 1 . . . . A 69 ILE H . 31184 1 726 . 1 . 1 65 65 ILE HA H 1 3.617 0.000 . 1 . . . . A 69 ILE HA . 31184 1 727 . 1 . 1 65 65 ILE HB H 1 1.759 0.000 . 1 . . . . A 69 ILE HB . 31184 1 728 . 1 . 1 65 65 ILE HG12 H 1 0.893 0.000 . 1 . . . . A 69 ILE HG12 . 31184 1 729 . 1 . 1 65 65 ILE HG13 H 1 1.576 0.000 . 1 . . . . A 69 ILE HG13 . 31184 1 730 . 1 . 1 65 65 ILE HG21 H 1 0.902 0.000 . 1 . . . . A 69 ILE HG21 . 31184 1 731 . 1 . 1 65 65 ILE HG22 H 1 0.902 0.000 . 1 . . . . A 69 ILE HG22 . 31184 1 732 . 1 . 1 65 65 ILE HG23 H 1 0.902 0.000 . 1 . . . . A 69 ILE HG23 . 31184 1 733 . 1 . 1 65 65 ILE HD11 H 1 0.726 0.000 . 1 . . . . A 69 ILE HD11 . 31184 1 734 . 1 . 1 65 65 ILE HD12 H 1 0.726 0.000 . 1 . . . . A 69 ILE HD12 . 31184 1 735 . 1 . 1 65 65 ILE HD13 H 1 0.726 0.000 . 1 . . . . A 69 ILE HD13 . 31184 1 736 . 1 . 1 65 65 ILE CA C 13 64.374 0.000 . 1 . . . . A 69 ILE CA . 31184 1 737 . 1 . 1 65 65 ILE CB C 13 38.358 0.000 . 1 . . . . A 69 ILE CB . 31184 1 738 . 1 . 1 65 65 ILE CG1 C 13 30.880 0.000 . 1 . . . . A 69 ILE CG1 . 31184 1 739 . 1 . 1 65 65 ILE CG2 C 13 17.740 0.000 . 1 . . . . A 69 ILE CG2 . 31184 1 740 . 1 . 1 65 65 ILE CD1 C 13 13.918 0.000 . 1 . . . . A 69 ILE CD1 . 31184 1 741 . 1 . 1 65 65 ILE N N 15 120.000 0.000 . 1 . . . . A 69 ILE N . 31184 1 742 . 1 . 1 66 66 ASP H H 1 7.935 0.000 . 1 . . . . A 70 ASP H . 31184 1 743 . 1 . 1 66 66 ASP HA H 1 4.412 0.000 . 1 . . . . A 70 ASP HA . 31184 1 744 . 1 . 1 66 66 ASP HB2 H 1 2.651 0.000 . 1 . . . . A 70 ASP HB2 . 31184 1 745 . 1 . 1 66 66 ASP HB3 H 1 2.724 0.000 . 1 . . . . A 70 ASP HB3 . 31184 1 746 . 1 . 1 66 66 ASP CA C 13 56.396 0.000 . 1 . . . . A 70 ASP CA . 31184 1 747 . 1 . 1 66 66 ASP CB C 13 40.784 0.000 . 1 . . . . A 70 ASP CB . 31184 1 748 . 1 . 1 66 66 ASP N N 15 119.225 0.000 . 1 . . . . A 70 ASP N . 31184 1 749 . 1 . 1 67 67 VAL H H 1 7.572 0.000 . 1 . . . . A 71 VAL H . 31184 1 750 . 1 . 1 67 67 VAL HA H 1 3.976 0.000 . 1 . . . . A 71 VAL HA . 31184 1 751 . 1 . 1 67 67 VAL HB H 1 2.117 0.000 . 1 . . . . A 71 VAL HB . 31184 1 752 . 1 . 1 67 67 VAL HG11 H 1 0.971 0.000 . 1 . . . . A 71 VAL HG11 . 31184 1 753 . 1 . 1 67 67 VAL HG12 H 1 0.971 0.000 . 1 . . . . A 71 VAL HG12 . 31184 1 754 . 1 . 1 67 67 VAL HG13 H 1 0.971 0.000 . 1 . . . . A 71 VAL HG13 . 31184 1 755 . 1 . 1 67 67 VAL HG21 H 1 0.999 0.000 . 1 . . . . A 71 VAL HG21 . 31184 1 756 . 1 . 1 67 67 VAL HG22 H 1 0.999 0.000 . 1 . . . . A 71 VAL HG22 . 31184 1 757 . 1 . 1 67 67 VAL HG23 H 1 0.999 0.000 . 1 . . . . A 71 VAL HG23 . 31184 1 758 . 1 . 1 67 67 VAL CA C 13 64.290 0.000 . 1 . . . . A 71 VAL CA . 31184 1 759 . 1 . 1 67 67 VAL CB C 13 32.532 0.000 . 1 . . . . A 71 VAL CB . 31184 1 760 . 1 . 1 67 67 VAL CG1 C 13 21.229 0.000 . 1 . . . . A 71 VAL CG1 . 31184 1 761 . 1 . 1 67 67 VAL CG2 C 13 21.557 0.000 . 1 . . . . A 71 VAL CG2 . 31184 1 762 . 1 . 1 67 67 VAL N N 15 117.300 0.000 . 1 . . . . A 71 VAL N . 31184 1 763 . 1 . 1 68 68 ASP H H 1 8.081 0.000 . 1 . . . . A 72 ASP H . 31184 1 764 . 1 . 1 68 68 ASP HA H 1 4.762 0.000 . 1 . . . . A 72 ASP HA . 31184 1 765 . 1 . 1 68 68 ASP HB2 H 1 2.693 0.000 . 1 . . . . A 72 ASP HB2 . 31184 1 766 . 1 . 1 68 68 ASP HB3 H 1 2.916 0.000 . 1 . . . . A 72 ASP HB3 . 31184 1 767 . 1 . 1 68 68 ASP CA C 13 54.031 0.000 . 1 . . . . A 72 ASP CA . 31184 1 768 . 1 . 1 68 68 ASP CB C 13 41.383 0.000 . 1 . . . . A 72 ASP CB . 31184 1 769 . 1 . 1 68 68 ASP N N 15 120.040 0.000 . 1 . . . . A 72 ASP N . 31184 1 770 . 1 . 1 69 69 GLY H H 1 8.705 0.000 . 1 . . . . A 73 GLY H . 31184 1 771 . 1 . 1 69 69 GLY HA2 H 1 4.047 0.000 . 1 . . . . A 73 GLY HA2 . 31184 1 772 . 1 . 1 69 69 GLY HA3 H 1 4.115 0.000 . 1 . . . . A 73 GLY HA3 . 31184 1 773 . 1 . 1 69 69 GLY CA C 13 47.418 0.000 . 1 . . . . A 73 GLY CA . 31184 1 774 . 1 . 1 69 69 GLY N N 15 112.295 0.000 . 1 . . . . A 73 GLY N . 31184 1 775 . 1 . 1 70 70 SER H H 1 8.478 0.000 . 1 . . . . A 74 SER H . 31184 1 776 . 1 . 1 70 70 SER HA H 1 4.658 0.000 . 1 . . . . A 74 SER HA . 31184 1 777 . 1 . 1 70 70 SER HB2 H 1 3.977 0.000 . 1 . . . . A 74 SER HB2 . 31184 1 778 . 1 . 1 70 70 SER HB3 H 1 3.979 0.000 . 1 . . . . A 74 SER HB3 . 31184 1 779 . 1 . 1 70 70 SER CA C 13 58.336 0.000 . 1 . . . . A 74 SER CA . 31184 1 780 . 1 . 1 70 70 SER CB C 13 64.089 0.000 . 1 . . . . A 74 SER CB . 31184 1 781 . 1 . 1 70 70 SER N N 15 115.659 0.000 . 1 . . . . A 74 SER N . 31184 1 782 . 1 . 1 71 71 GLY H H 1 8.163 0.000 . 1 . . . . A 75 GLY H . 31184 1 783 . 1 . 1 71 71 GLY HA2 H 1 3.964 0.000 . 1 . . . . A 75 GLY HA2 . 31184 1 784 . 1 . 1 71 71 GLY HA3 H 1 3.972 0.000 . 1 . . . . A 75 GLY HA3 . 31184 1 785 . 1 . 1 71 71 GLY CA C 13 45.820 0.000 . 1 . . . . A 75 GLY CA . 31184 1 786 . 1 . 1 71 71 GLY N N 15 110.130 0.000 . 1 . . . . A 75 GLY N . 31184 1 787 . 1 . 1 72 72 THR H H 1 7.933 0.000 . 1 . . . . A 76 THR H . 31184 1 788 . 1 . 1 72 72 THR HA H 1 4.796 0.000 . 1 . . . . A 76 THR HA . 31184 1 789 . 1 . 1 72 72 THR HB H 1 3.871 0.000 . 1 . . . . A 76 THR HB . 31184 1 790 . 1 . 1 72 72 THR HG21 H 1 0.880 0.000 . 1 . . . . A 76 THR HG21 . 31184 1 791 . 1 . 1 72 72 THR HG22 H 1 0.880 0.000 . 1 . . . . A 76 THR HG22 . 31184 1 792 . 1 . 1 72 72 THR HG23 H 1 0.880 0.000 . 1 . . . . A 76 THR HG23 . 31184 1 793 . 1 . 1 72 72 THR CA C 13 58.927 0.000 . 1 . . . . A 76 THR CA . 31184 1 794 . 1 . 1 72 72 THR CB C 13 72.837 0.000 . 1 . . . . A 76 THR CB . 31184 1 795 . 1 . 1 72 72 THR CG2 C 13 21.212 0.000 . 1 . . . . A 76 THR CG2 . 31184 1 796 . 1 . 1 72 72 THR N N 15 110.195 0.000 . 1 . . . . A 76 THR N . 31184 1 797 . 1 . 1 73 73 ILE H H 1 8.989 0.000 . 1 . . . . A 77 ILE H . 31184 1 798 . 1 . 1 73 73 ILE HA H 1 4.797 0.000 . 1 . . . . A 77 ILE HA . 31184 1 799 . 1 . 1 73 73 ILE HB H 1 1.704 0.000 . 1 . . . . A 77 ILE HB . 31184 1 800 . 1 . 1 73 73 ILE HG12 H 1 1.484 0.000 . 1 . . . . A 77 ILE HG12 . 31184 1 801 . 1 . 1 73 73 ILE HG13 H 1 1.802 0.000 . 1 . . . . A 77 ILE HG13 . 31184 1 802 . 1 . 1 73 73 ILE HG21 H 1 0.943 0.000 . 1 . . . . A 77 ILE HG21 . 31184 1 803 . 1 . 1 73 73 ILE HG22 H 1 0.943 0.000 . 1 . . . . A 77 ILE HG22 . 31184 1 804 . 1 . 1 73 73 ILE HG23 H 1 0.943 0.000 . 1 . . . . A 77 ILE HG23 . 31184 1 805 . 1 . 1 73 73 ILE HD11 H 1 1.057 0.000 . 1 . . . . A 77 ILE HD11 . 31184 1 806 . 1 . 1 73 73 ILE HD12 H 1 1.057 0.000 . 1 . . . . A 77 ILE HD12 . 31184 1 807 . 1 . 1 73 73 ILE HD13 H 1 1.057 0.000 . 1 . . . . A 77 ILE HD13 . 31184 1 808 . 1 . 1 73 73 ILE CA C 13 58.779 0.000 . 1 . . . . A 77 ILE CA . 31184 1 809 . 1 . 1 73 73 ILE CB C 13 41.861 0.000 . 1 . . . . A 77 ILE CB . 31184 1 810 . 1 . 1 73 73 ILE CG1 C 13 27.725 0.000 . 1 . . . . A 77 ILE CG1 . 31184 1 811 . 1 . 1 73 73 ILE CG2 C 13 16.764 0.000 . 1 . . . . A 77 ILE CG2 . 31184 1 812 . 1 . 1 73 73 ILE CD1 C 13 15.191 0.000 . 1 . . . . A 77 ILE CD1 . 31184 1 813 . 1 . 1 73 73 ILE N N 15 116.643 0.000 . 1 . . . . A 77 ILE N . 31184 1 814 . 1 . 1 74 74 ASP H H 1 8.496 0.000 . 1 . . . . A 78 ASP H . 31184 1 815 . 1 . 1 74 74 ASP HA H 1 5.599 0.000 . 1 . . . . A 78 ASP HA . 31184 1 816 . 1 . 1 74 74 ASP HB2 H 1 2.808 0.000 . 1 . . . . A 78 ASP HB2 . 31184 1 817 . 1 . 1 74 74 ASP HB3 H 1 3.293 0.000 . 1 . . . . A 78 ASP HB3 . 31184 1 818 . 1 . 1 74 74 ASP CA C 13 52.160 0.000 . 1 . . . . A 78 ASP CA . 31184 1 819 . 1 . 1 74 74 ASP CB C 13 42.454 0.000 . 1 . . . . A 78 ASP CB . 31184 1 820 . 1 . 1 74 74 ASP N N 15 123.767 0.000 . 1 . . . . A 78 ASP N . 31184 1 821 . 1 . 1 75 75 PHE H H 1 8.432 0.000 . 1 . . . . A 79 PHE H . 31184 1 822 . 1 . 1 75 75 PHE HA H 1 3.563 0.000 . 1 . . . . A 79 PHE HA . 31184 1 823 . 1 . 1 75 75 PHE HB2 H 1 2.400 0.000 . 1 . . . . A 79 PHE HB2 . 31184 1 824 . 1 . 1 75 75 PHE HB3 H 1 2.634 0.000 . 1 . . . . A 79 PHE HB3 . 31184 1 825 . 1 . 1 75 75 PHE HD1 H 1 6.363 0.000 . 1 . . . . A 79 PHE HD1 . 31184 1 826 . 1 . 1 75 75 PHE HD2 H 1 6.365 0.000 . 1 . . . . A 79 PHE HD2 . 31184 1 827 . 1 . 1 75 75 PHE HE1 H 1 6.960 0.000 . 1 . . . . A 79 PHE HE1 . 31184 1 828 . 1 . 1 75 75 PHE HE2 H 1 7.009 0.000 . 1 . . . . A 79 PHE HE2 . 31184 1 829 . 1 . 1 75 75 PHE HZ H 1 7.254 0.010 . 1 . . . . A 79 PHE HZ . 31184 1 830 . 1 . 1 75 75 PHE CA C 13 61.182 0.000 . 1 . . . . A 79 PHE CA . 31184 1 831 . 1 . 1 75 75 PHE CB C 13 39.167 0.000 . 1 . . . . A 79 PHE CB . 31184 1 832 . 1 . 1 75 75 PHE CD1 C 13 131.999 0.000 . 1 . . . . A 79 PHE CD1 . 31184 1 833 . 1 . 1 75 75 PHE CE1 C 13 129.758 0.000 . 1 . . . . A 79 PHE CE1 . 31184 1 834 . 1 . 1 75 75 PHE CZ C 13 129.900 0.010 . 1 . . . . A 79 PHE CZ . 31184 1 835 . 1 . 1 75 75 PHE N N 15 118.746 0.000 . 1 . . . . A 79 PHE N . 31184 1 836 . 1 . 1 76 76 GLU H H 1 7.926 0.000 . 1 . . . . A 80 GLU H . 31184 1 837 . 1 . 1 76 76 GLU HA H 1 3.729 0.000 . 1 . . . . A 80 GLU HA . 31184 1 838 . 1 . 1 76 76 GLU HB2 H 1 2.043 0.000 . 1 . . . . A 80 GLU HB2 . 31184 1 839 . 1 . 1 76 76 GLU HB3 H 1 2.383 0.010 . 1 . . . . A 80 GLU HB3 . 31184 1 840 . 1 . 1 76 76 GLU HG2 H 1 2.376 0.010 . 1 . . . . A 80 GLU HG2 . 31184 1 841 . 1 . 1 76 76 GLU HG3 H 1 2.387 0.000 . 1 . . . . A 80 GLU HG3 . 31184 1 842 . 1 . 1 76 76 GLU CA C 13 59.269 0.000 . 1 . . . . A 80 GLU CA . 31184 1 843 . 1 . 1 76 76 GLU CB C 13 30.030 0.010 . 1 . . . . A 80 GLU CB . 31184 1 844 . 1 . 1 76 76 GLU CG C 13 36.513 0.000 . 1 . . . . A 80 GLU CG . 31184 1 845 . 1 . 1 76 76 GLU N N 15 116.013 0.000 . 1 . . . . A 80 GLU N . 31184 1 846 . 1 . 1 77 77 GLU H H 1 8.211 0.000 . 1 . . . . A 81 GLU H . 31184 1 847 . 1 . 1 77 77 GLU HA H 1 3.955 0.000 . 1 . . . . A 81 GLU HA . 31184 1 848 . 1 . 1 77 77 GLU HB2 H 1 2.078 0.000 . 1 . . . . A 81 GLU HB2 . 31184 1 849 . 1 . 1 77 77 GLU HB3 H 1 2.391 0.000 . 1 . . . . A 81 GLU HB3 . 31184 1 850 . 1 . 1 77 77 GLU HG2 H 1 2.308 0.000 . 1 . . . . A 81 GLU HG2 . 31184 1 851 . 1 . 1 77 77 GLU HG3 H 1 2.589 0.000 . 1 . . . . A 81 GLU HG3 . 31184 1 852 . 1 . 1 77 77 GLU CA C 13 59.393 0.000 . 1 . . . . A 81 GLU CA . 31184 1 853 . 1 . 1 77 77 GLU CB C 13 29.971 0.000 . 1 . . . . A 81 GLU CB . 31184 1 854 . 1 . 1 77 77 GLU CG C 13 36.785 0.000 . 1 . . . . A 81 GLU CG . 31184 1 855 . 1 . 1 77 77 GLU N N 15 119.912 0.000 . 1 . . . . A 81 GLU N . 31184 1 856 . 1 . 1 78 78 PHE H H 1 8.449 0.000 . 1 . . . . A 82 PHE H . 31184 1 857 . 1 . 1 78 78 PHE HA H 1 3.960 0.000 . 1 . . . . A 82 PHE HA . 31184 1 858 . 1 . 1 78 78 PHE HB2 H 1 3.127 0.000 . 1 . . . . A 82 PHE HB2 . 31184 1 859 . 1 . 1 78 78 PHE HB3 H 1 3.340 0.000 . 1 . . . . A 82 PHE HB3 . 31184 1 860 . 1 . 1 78 78 PHE HD1 H 1 6.954 0.000 . 1 . . . . A 82 PHE HD1 . 31184 1 861 . 1 . 1 78 78 PHE HD2 H 1 6.958 0.000 . 1 . . . . A 82 PHE HD2 . 31184 1 862 . 1 . 1 78 78 PHE HE1 H 1 6.950 0.000 . 1 . . . . A 82 PHE HE1 . 31184 1 863 . 1 . 1 78 78 PHE HE2 H 1 7.043 0.010 . 1 . . . . A 82 PHE HE2 . 31184 1 864 . 1 . 1 78 78 PHE HZ H 1 7.254 0.000 . 1 . . . . A 82 PHE HZ . 31184 1 865 . 1 . 1 78 78 PHE CA C 13 62.082 0.000 . 1 . . . . A 82 PHE CA . 31184 1 866 . 1 . 1 78 78 PHE CB C 13 39.229 0.000 . 1 . . . . A 82 PHE CB . 31184 1 867 . 1 . 1 78 78 PHE CD1 C 13 131.251 0.000 . 1 . . . . A 82 PHE CD1 . 31184 1 868 . 1 . 1 78 78 PHE CE1 C 13 131.479 0.000 . 1 . . . . A 82 PHE CE1 . 31184 1 869 . 1 . 1 78 78 PHE CZ C 13 130.922 0.000 . 1 . . . . A 82 PHE CZ . 31184 1 870 . 1 . 1 78 78 PHE N N 15 120.740 0.000 . 1 . . . . A 82 PHE N . 31184 1 871 . 1 . 1 79 79 LEU H H 1 8.129 0.000 . 1 . . . . A 83 LEU H . 31184 1 872 . 1 . 1 79 79 LEU HA H 1 3.412 0.000 . 1 . . . . A 83 LEU HA . 31184 1 873 . 1 . 1 79 79 LEU HB2 H 1 0.980 0.000 . 1 . . . . A 83 LEU HB2 . 31184 1 874 . 1 . 1 79 79 LEU HB3 H 1 1.840 0.000 . 1 . . . . A 83 LEU HB3 . 31184 1 875 . 1 . 1 79 79 LEU HG H 1 1.086 0.000 . 1 . . . . A 83 LEU HG . 31184 1 876 . 1 . 1 79 79 LEU HD11 H 1 0.641 0.000 . 1 . . . . A 83 LEU HD11 . 31184 1 877 . 1 . 1 79 79 LEU HD12 H 1 0.641 0.000 . 1 . . . . A 83 LEU HD12 . 31184 1 878 . 1 . 1 79 79 LEU HD13 H 1 0.641 0.000 . 1 . . . . A 83 LEU HD13 . 31184 1 879 . 1 . 1 79 79 LEU HD21 H 1 0.616 0.000 . 1 . . . . A 83 LEU HD21 . 31184 1 880 . 1 . 1 79 79 LEU HD22 H 1 0.616 0.000 . 1 . . . . A 83 LEU HD22 . 31184 1 881 . 1 . 1 79 79 LEU HD23 H 1 0.616 0.000 . 1 . . . . A 83 LEU HD23 . 31184 1 882 . 1 . 1 79 79 LEU CA C 13 57.813 0.000 . 1 . . . . A 83 LEU CA . 31184 1 883 . 1 . 1 79 79 LEU CB C 13 41.428 0.000 . 1 . . . . A 83 LEU CB . 31184 1 884 . 1 . 1 79 79 LEU CG C 13 25.483 0.000 . 1 . . . . A 83 LEU CG . 31184 1 885 . 1 . 1 79 79 LEU CD1 C 13 23.296 0.000 . 1 . . . . A 83 LEU CD1 . 31184 1 886 . 1 . 1 79 79 LEU CD2 C 13 25.784 0.000 . 1 . . . . A 83 LEU CD2 . 31184 1 887 . 1 . 1 79 79 LEU N N 15 118.237 0.000 . 1 . . . . A 83 LEU N . 31184 1 888 . 1 . 1 80 80 VAL H H 1 7.231 0.000 . 1 . . . . A 84 VAL H . 31184 1 889 . 1 . 1 80 80 VAL HA H 1 3.262 0.000 . 1 . . . . A 84 VAL HA . 31184 1 890 . 1 . 1 80 80 VAL HB H 1 2.290 0.000 . 1 . . . . A 84 VAL HB . 31184 1 891 . 1 . 1 80 80 VAL HG11 H 1 0.741 0.000 . 1 . . . . A 84 VAL HG11 . 31184 1 892 . 1 . 1 80 80 VAL HG12 H 1 0.741 0.000 . 1 . . . . A 84 VAL HG12 . 31184 1 893 . 1 . 1 80 80 VAL HG13 H 1 0.741 0.000 . 1 . . . . A 84 VAL HG13 . 31184 1 894 . 1 . 1 80 80 VAL HG21 H 1 1.005 0.000 . 1 . . . . A 84 VAL HG21 . 31184 1 895 . 1 . 1 80 80 VAL HG22 H 1 1.005 0.000 . 1 . . . . A 84 VAL HG22 . 31184 1 896 . 1 . 1 80 80 VAL HG23 H 1 1.005 0.000 . 1 . . . . A 84 VAL HG23 . 31184 1 897 . 1 . 1 80 80 VAL CA C 13 67.352 0.000 . 1 . . . . A 84 VAL CA . 31184 1 898 . 1 . 1 80 80 VAL CB C 13 31.355 0.000 . 1 . . . . A 84 VAL CB . 31184 1 899 . 1 . 1 80 80 VAL CG1 C 13 21.957 0.000 . 1 . . . . A 84 VAL CG1 . 31184 1 900 . 1 . 1 80 80 VAL CG2 C 13 23.313 0.000 . 1 . . . . A 84 VAL CG2 . 31184 1 901 . 1 . 1 80 80 VAL N N 15 118.485 0.000 . 1 . . . . A 84 VAL N . 31184 1 902 . 1 . 1 81 81 LEU H H 1 7.587 0.000 . 1 . . . . A 85 LEU H . 31184 1 903 . 1 . 1 81 81 LEU HA H 1 3.927 0.000 . 1 . . . . A 85 LEU HA . 31184 1 904 . 1 . 1 81 81 LEU HB2 H 1 1.515 0.000 . 1 . . . . A 85 LEU HB2 . 31184 1 905 . 1 . 1 81 81 LEU HB3 H 1 1.988 0.000 . 1 . . . . A 85 LEU HB3 . 31184 1 906 . 1 . 1 81 81 LEU HG H 1 2.053 0.000 . 1 . . . . A 85 LEU HG . 31184 1 907 . 1 . 1 81 81 LEU HD11 H 1 0.633 0.000 . 1 . . . . A 85 LEU HD11 . 31184 1 908 . 1 . 1 81 81 LEU HD12 H 1 0.633 0.000 . 1 . . . . A 85 LEU HD12 . 31184 1 909 . 1 . 1 81 81 LEU HD13 H 1 0.633 0.000 . 1 . . . . A 85 LEU HD13 . 31184 1 910 . 1 . 1 81 81 LEU HD21 H 1 1.008 0.000 . 1 . . . . A 85 LEU HD21 . 31184 1 911 . 1 . 1 81 81 LEU HD22 H 1 1.008 0.000 . 1 . . . . A 85 LEU HD22 . 31184 1 912 . 1 . 1 81 81 LEU HD23 H 1 1.008 0.000 . 1 . . . . A 85 LEU HD23 . 31184 1 913 . 1 . 1 81 81 LEU CA C 13 57.633 0.000 . 1 . . . . A 85 LEU CA . 31184 1 914 . 1 . 1 81 81 LEU CB C 13 40.666 0.000 . 1 . . . . A 85 LEU CB . 31184 1 915 . 1 . 1 81 81 LEU CG C 13 26.109 0.000 . 1 . . . . A 85 LEU CG . 31184 1 916 . 1 . 1 81 81 LEU CD1 C 13 22.093 0.000 . 1 . . . . A 85 LEU CD1 . 31184 1 917 . 1 . 1 81 81 LEU CD2 C 13 25.990 0.000 . 1 . . . . A 85 LEU CD2 . 31184 1 918 . 1 . 1 81 81 LEU N N 15 118.017 0.000 . 1 . . . . A 85 LEU N . 31184 1 919 . 1 . 1 82 82 MET H H 1 8.235 0.000 . 1 . . . . A 86 MET H . 31184 1 920 . 1 . 1 82 82 MET HA H 1 4.085 0.000 . 1 . . . . A 86 MET HA . 31184 1 921 . 1 . 1 82 82 MET HB2 H 1 1.542 0.000 . 1 . . . . A 86 MET HB2 . 31184 1 922 . 1 . 1 82 82 MET HB3 H 1 1.565 0.000 . 1 . . . . A 86 MET HB3 . 31184 1 923 . 1 . 1 82 82 MET HG2 H 1 1.379 0.000 . 1 . . . . A 86 MET HG2 . 31184 1 924 . 1 . 1 82 82 MET HG3 H 1 1.528 0.000 . 1 . . . . A 86 MET HG3 . 31184 1 925 . 1 . 1 82 82 MET HE1 H 1 0.725 0.000 . 1 . . . . A 86 MET HE1 . 31184 1 926 . 1 . 1 82 82 MET HE2 H 1 0.725 0.000 . 1 . . . . A 86 MET HE2 . 31184 1 927 . 1 . 1 82 82 MET HE3 H 1 0.725 0.000 . 1 . . . . A 86 MET HE3 . 31184 1 928 . 1 . 1 82 82 MET CA C 13 57.308 0.000 . 1 . . . . A 86 MET CA . 31184 1 929 . 1 . 1 82 82 MET CB C 13 30.446 0.000 . 1 . . . . A 86 MET CB . 31184 1 930 . 1 . 1 82 82 MET CG C 13 31.941 0.000 . 1 . . . . A 86 MET CG . 31184 1 931 . 1 . 1 82 82 MET CE C 13 17.000 0.000 . 1 . . . . A 86 MET CE . 31184 1 932 . 1 . 1 82 82 MET N N 15 120.147 0.000 . 1 . . . . A 86 MET N . 31184 1 933 . 1 . 1 83 83 VAL H H 1 8.387 0.000 . 1 . . . . A 87 VAL H . 31184 1 934 . 1 . 1 83 83 VAL HA H 1 3.483 0.000 . 1 . . . . A 87 VAL HA . 31184 1 935 . 1 . 1 83 83 VAL HB H 1 2.038 0.000 . 1 . . . . A 87 VAL HB . 31184 1 936 . 1 . 1 83 83 VAL HG11 H 1 0.544 0.000 . 1 . . . . A 87 VAL HG11 . 31184 1 937 . 1 . 1 83 83 VAL HG12 H 1 0.544 0.000 . 1 . . . . A 87 VAL HG12 . 31184 1 938 . 1 . 1 83 83 VAL HG13 H 1 0.544 0.000 . 1 . . . . A 87 VAL HG13 . 31184 1 939 . 1 . 1 83 83 VAL HG21 H 1 1.147 0.000 . 1 . . . . A 87 VAL HG21 . 31184 1 940 . 1 . 1 83 83 VAL HG22 H 1 1.147 0.000 . 1 . . . . A 87 VAL HG22 . 31184 1 941 . 1 . 1 83 83 VAL HG23 H 1 1.147 0.000 . 1 . . . . A 87 VAL HG23 . 31184 1 942 . 1 . 1 83 83 VAL CA C 13 67.586 0.000 . 1 . . . . A 87 VAL CA . 31184 1 943 . 1 . 1 83 83 VAL CB C 13 31.133 0.000 . 1 . . . . A 87 VAL CB . 31184 1 944 . 1 . 1 83 83 VAL CG1 C 13 21.427 0.000 . 1 . . . . A 87 VAL CG1 . 31184 1 945 . 1 . 1 83 83 VAL CG2 C 13 24.147 0.000 . 1 . . . . A 87 VAL CG2 . 31184 1 946 . 1 . 1 83 83 VAL N N 15 120.967 0.000 . 1 . . . . A 87 VAL N . 31184 1 947 . 1 . 1 84 84 TYR H H 1 8.273 0.000 . 1 . . . . A 88 TYR H . 31184 1 948 . 1 . 1 84 84 TYR HA H 1 4.027 0.000 . 1 . . . . A 88 TYR HA . 31184 1 949 . 1 . 1 84 84 TYR HB2 H 1 2.970 0.000 . 1 . . . . A 88 TYR HB2 . 31184 1 950 . 1 . 1 84 84 TYR HB3 H 1 2.975 0.000 . 1 . . . . A 88 TYR HB3 . 31184 1 951 . 1 . 1 84 84 TYR HD1 H 1 6.908 0.000 . 1 . . . . A 88 TYR HD1 . 31184 1 952 . 1 . 1 84 84 TYR HD2 H 1 6.911 0.000 . 1 . . . . A 88 TYR HD2 . 31184 1 953 . 1 . 1 84 84 TYR HE1 H 1 6.611 0.000 . 1 . . . . A 88 TYR HE1 . 31184 1 954 . 1 . 1 84 84 TYR HE2 H 1 6.614 0.000 . 1 . . . . A 88 TYR HE2 . 31184 1 955 . 1 . 1 84 84 TYR CA C 13 61.124 0.000 . 1 . . . . A 88 TYR CA . 31184 1 956 . 1 . 1 84 84 TYR CB C 13 37.921 0.000 . 1 . . . . A 88 TYR CB . 31184 1 957 . 1 . 1 84 84 TYR CD1 C 13 131.968 0.000 . 1 . . . . A 88 TYR CD1 . 31184 1 958 . 1 . 1 84 84 TYR CE1 C 13 118.186 0.000 . 1 . . . . A 88 TYR CE1 . 31184 1 959 . 1 . 1 84 84 TYR N N 15 118.836 0.000 . 1 . . . . A 88 TYR N . 31184 1 960 . 1 . 1 85 85 SER H H 1 7.753 0.000 . 1 . . . . A 89 SER H . 31184 1 961 . 1 . 1 85 85 SER HA H 1 4.144 0.000 . 1 . . . . A 89 SER HA . 31184 1 962 . 1 . 1 85 85 SER HB2 H 1 4.208 0.010 . 1 . . . . A 89 SER HB2 . 31184 1 963 . 1 . 1 85 85 SER HB3 H 1 4.282 0.000 . 1 . . . . A 89 SER HB3 . 31184 1 964 . 1 . 1 85 85 SER CA C 13 63.103 0.000 . 1 . . . . A 89 SER CA . 31184 1 965 . 1 . 1 85 85 SER CB C 13 61.650 0.000 . 1 . . . . A 89 SER CB . 31184 1 966 . 1 . 1 85 85 SER N N 15 113.274 0.000 . 1 . . . . A 89 SER N . 31184 1 967 . 1 . 1 86 86 MET H H 1 8.276 0.000 . 1 . . . . A 90 MET H . 31184 1 968 . 1 . 1 86 86 MET HA H 1 4.223 0.000 . 1 . . . . A 90 MET HA . 31184 1 969 . 1 . 1 86 86 MET HB2 H 1 2.052 0.000 . 1 . . . . A 90 MET HB2 . 31184 1 970 . 1 . 1 86 86 MET HB3 H 1 2.339 0.000 . 1 . . . . A 90 MET HB3 . 31184 1 971 . 1 . 1 86 86 MET HG2 H 1 2.577 0.000 . 1 . . . . A 90 MET HG2 . 31184 1 972 . 1 . 1 86 86 MET HG3 H 1 2.814 0.000 . 1 . . . . A 90 MET HG3 . 31184 1 973 . 1 . 1 86 86 MET HE1 H 1 2.251 0.000 . 1 . . . . A 90 MET HE1 . 31184 1 974 . 1 . 1 86 86 MET HE2 H 1 2.251 0.000 . 1 . . . . A 90 MET HE2 . 31184 1 975 . 1 . 1 86 86 MET HE3 H 1 2.251 0.000 . 1 . . . . A 90 MET HE3 . 31184 1 976 . 1 . 1 86 86 MET CA C 13 58.138 0.000 . 1 . . . . A 90 MET CA . 31184 1 977 . 1 . 1 86 86 MET CB C 13 34.587 0.000 . 1 . . . . A 90 MET CB . 31184 1 978 . 1 . 1 86 86 MET CG C 13 32.484 0.000 . 1 . . . . A 90 MET CG . 31184 1 979 . 1 . 1 86 86 MET CE C 13 17.318 0.000 . 1 . . . . A 90 MET CE . 31184 1 980 . 1 . 1 86 86 MET N N 15 120.714 0.000 . 1 . . . . A 90 MET N . 31184 1 981 . 1 . 1 87 87 LYS H H 1 7.866 0.000 . 1 . . . . A 91 LYS H . 31184 1 982 . 1 . 1 87 87 LYS HA H 1 4.145 0.000 . 1 . . . . A 91 LYS HA . 31184 1 983 . 1 . 1 87 87 LYS HB2 H 1 1.627 0.000 . 1 . . . . A 91 LYS HB2 . 31184 1 984 . 1 . 1 87 87 LYS HB3 H 1 1.752 0.000 . 1 . . . . A 91 LYS HB3 . 31184 1 985 . 1 . 1 87 87 LYS HG2 H 1 1.187 0.000 . 1 . . . . A 91 LYS HG2 . 31184 1 986 . 1 . 1 87 87 LYS HG3 H 1 1.307 0.010 . 1 . . . . A 91 LYS HG3 . 31184 1 987 . 1 . 1 87 87 LYS HD2 H 1 1.329 0.000 . 1 . . . . A 91 LYS HD2 . 31184 1 988 . 1 . 1 87 87 LYS HD3 H 1 1.341 0.000 . 1 . . . . A 91 LYS HD3 . 31184 1 989 . 1 . 1 87 87 LYS HE2 H 1 2.490 0.000 . 1 . . . . A 91 LYS HE2 . 31184 1 990 . 1 . 1 87 87 LYS HE3 H 1 2.519 0.000 . 1 . . . . A 91 LYS HE3 . 31184 1 991 . 1 . 1 87 87 LYS CA C 13 57.813 0.000 . 1 . . . . A 91 LYS CA . 31184 1 992 . 1 . 1 87 87 LYS CB C 13 32.714 0.000 . 1 . . . . A 91 LYS CB . 31184 1 993 . 1 . 1 87 87 LYS CG C 13 25.295 0.000 . 1 . . . . A 91 LYS CG . 31184 1 994 . 1 . 1 87 87 LYS CD C 13 29.450 0.000 . 1 . . . . A 91 LYS CD . 31184 1 995 . 1 . 1 87 87 LYS CE C 13 41.737 0.000 . 1 . . . . A 91 LYS CE . 31184 1 996 . 1 . 1 87 87 LYS N N 15 118.851 0.000 . 1 . . . . A 91 LYS N . 31184 1 997 . 1 . 1 88 88 GLN H H 1 7.736 0.000 . 1 . . . . A 92 GLN H . 31184 1 998 . 1 . 1 88 88 GLN HA H 1 4.276 0.000 . 1 . . . . A 92 GLN HA . 31184 1 999 . 1 . 1 88 88 GLN HB2 H 1 2.018 0.000 . 1 . . . . A 92 GLN HB2 . 31184 1 1000 . 1 . 1 88 88 GLN HB3 H 1 2.156 0.000 . 1 . . . . A 92 GLN HB3 . 31184 1 1001 . 1 . 1 88 88 GLN HG2 H 1 2.345 0.000 . 1 . . . . A 92 GLN HG2 . 31184 1 1002 . 1 . 1 88 88 GLN HG3 H 1 2.348 0.000 . 1 . . . . A 92 GLN HG3 . 31184 1 1003 . 1 . 1 88 88 GLN HE21 H 1 6.808 0.000 . 1 . . . . A 92 GLN HE21 . 31184 1 1004 . 1 . 1 88 88 GLN HE22 H 1 7.440 0.000 . 1 . . . . A 92 GLN HE22 . 31184 1 1005 . 1 . 1 88 88 GLN CA C 13 56.152 0.000 . 1 . . . . A 92 GLN CA . 31184 1 1006 . 1 . 1 88 88 GLN CB C 13 29.487 0.000 . 1 . . . . A 92 GLN CB . 31184 1 1007 . 1 . 1 88 88 GLN CG C 13 33.804 0.000 . 1 . . . . A 92 GLN CG . 31184 1 1008 . 1 . 1 88 88 GLN N N 15 119.207 0.000 . 1 . . . . A 92 GLN N . 31184 1 1009 . 1 . 1 88 88 GLN NE2 N 15 113.115 0.000 . 1 . . . . A 92 GLN NE2 . 31184 1 1010 . 1 . 1 89 89 ASP H H 1 8.141 0.000 . 1 . . . . A 93 ASP H . 31184 1 1011 . 1 . 1 89 89 ASP HA H 1 4.656 0.000 . 1 . . . . A 93 ASP HA . 31184 1 1012 . 1 . 1 89 89 ASP HB2 H 1 2.603 0.000 . 1 . . . . A 93 ASP HB2 . 31184 1 1013 . 1 . 1 89 89 ASP HB3 H 1 2.768 0.000 . 1 . . . . A 93 ASP HB3 . 31184 1 1014 . 1 . 1 89 89 ASP CA C 13 54.449 0.000 . 1 . . . . A 93 ASP CA . 31184 1 1015 . 1 . 1 89 89 ASP CB C 13 41.249 0.000 . 1 . . . . A 93 ASP CB . 31184 1 1016 . 1 . 1 89 89 ASP N N 15 121.310 0.000 . 1 . . . . A 93 ASP N . 31184 1 1017 . 1 . 1 90 90 ALA H H 1 7.738 0.000 . 1 . . . . A 94 ALA H . 31184 1 1018 . 1 . 1 90 90 ALA HA H 1 4.125 0.000 . 1 . . . . A 94 ALA HA . 31184 1 1019 . 1 . 1 90 90 ALA HB1 H 1 1.345 0.000 . 1 . . . . A 94 ALA HB1 . 31184 1 1020 . 1 . 1 90 90 ALA HB2 H 1 1.345 0.000 . 1 . . . . A 94 ALA HB2 . 31184 1 1021 . 1 . 1 90 90 ALA HB3 H 1 1.345 0.000 . 1 . . . . A 94 ALA HB3 . 31184 1 1022 . 1 . 1 90 90 ALA CA C 13 54.014 0.000 . 1 . . . . A 94 ALA CA . 31184 1 1023 . 1 . 1 90 90 ALA CB C 13 20.335 0.000 . 1 . . . . A 94 ALA CB . 31184 1 1024 . 1 . 1 90 90 ALA N N 15 129.269 0.000 . 1 . . . . A 94 ALA N . 31184 1 stop_ save_