data_53427 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53427 _Entry.Title ; Backbone assignment of LARP6 NTR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-11-18 _Entry.Accession_date 2025-11-18 _Entry.Last_release_date 2025-11-18 _Entry.Original_release_date 2025-11-18 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone assignment of LARP6 NTR' _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 Giancarlo Abis . G.A. . 0000-0003-1440-7832 53427 2 'Peter J' Simpson . P.J.S. . 0000-0002-2679-9303 53427 3 Federica Capraro . F.C. . 0000-0001-8974-4951 53427 4 Alessio Incocciati . A.I. . 0000-0003-2982-8592 53427 5 Geoff Kelly . G.K. . 0000-0002-1149-0717 53427 6 Faraz Mardakheh . F.K.M. . 0000-0003-3896-0827 53427 7 'Maria R' Conte . M.R.C. . 0000-0001-8558-2051 53427 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53427 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 318 53427 '15N chemical shifts' 87 53427 '1H chemical shifts' 490 53427 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 . . 2026-02-16 . original BMRB . 53427 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53427 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1038/s41467-026-69789-z _Citation.Full_citation . _Citation.Title ; An intrinsically disordered RNA-binding region provides local target selectivity and is essential for LARP6 function ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Giancarlo Abis . G.A. . . 53427 1 2 'Peter J' Simpson . P.J.S. . . 53427 1 3 Alessio Incocciati . A.I. . . 53427 1 4 Federica Capraro . F.C. . . 53427 1 5 Geoff Kelly . G.K. . . 53427 1 6 Faraz Mardakheh . F.K.M. . . 53427 1 7 'Maria R' Conte . M.R.C. . . 53427 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA-binding proteins, RNA, LARPs, biophysics, cross-linking, NMR, SAXS, mass spectrometry' 53427 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53427 _Assembly.ID 1 _Assembly.Name 'intrinsic disordered region at the N-terminus of LARP6' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 8727.11 _Assembly.Enzyme_commission_number . _Assembly.Details 'single polypeptide chain' _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 'LARP6 NTR' 1 $entity_1 . . yes native no no . . . 53427 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53427 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAQSGGEARPGPKTAVQIRV AIQEAEDVDELEDEEEGAET RGAGDPARYLSPGWGSASEE EPSRGHSGTTASGGENERED LEQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 . MET . 53427 1 2 . ALA . 53427 1 3 . GLN . 53427 1 4 . SER . 53427 1 5 . GLY . 53427 1 6 . GLY . 53427 1 7 . GLU . 53427 1 8 . ALA . 53427 1 9 . ARG . 53427 1 10 . PRO . 53427 1 11 . GLY . 53427 1 12 . PRO . 53427 1 13 . LYS . 53427 1 14 . THR . 53427 1 15 . ALA . 53427 1 16 . VAL . 53427 1 17 . GLN . 53427 1 18 . ILE . 53427 1 19 . ARG . 53427 1 20 . VAL . 53427 1 21 . ALA . 53427 1 22 . ILE . 53427 1 23 . GLN . 53427 1 24 . GLU . 53427 1 25 . ALA . 53427 1 26 . GLU . 53427 1 27 . ASP . 53427 1 28 . VAL . 53427 1 29 . ASP . 53427 1 30 . GLU . 53427 1 31 . LEU . 53427 1 32 . GLU . 53427 1 33 . ASP . 53427 1 34 . GLU . 53427 1 35 . GLU . 53427 1 36 . GLU . 53427 1 37 . GLY . 53427 1 38 . ALA . 53427 1 39 . GLU . 53427 1 40 . THR . 53427 1 41 . ARG . 53427 1 42 . GLY . 53427 1 43 . ALA . 53427 1 44 . GLY . 53427 1 45 . ASP . 53427 1 46 . PRO . 53427 1 47 . ALA . 53427 1 48 . ARG . 53427 1 49 . TYR . 53427 1 50 . LEU . 53427 1 51 . SER . 53427 1 52 . PRO . 53427 1 53 . GLY . 53427 1 54 . TRP . 53427 1 55 . GLY . 53427 1 56 . SER . 53427 1 57 . ALA . 53427 1 58 . SER . 53427 1 59 . GLU . 53427 1 60 . GLU . 53427 1 61 . GLU . 53427 1 62 . PRO . 53427 1 63 . SER . 53427 1 64 . ARG . 53427 1 65 . GLY . 53427 1 66 . HIS . 53427 1 67 . SER . 53427 1 68 . GLY . 53427 1 69 . THR . 53427 1 70 . THR . 53427 1 71 . ALA . 53427 1 72 . SER . 53427 1 73 . GLY . 53427 1 74 . GLY . 53427 1 75 . GLU . 53427 1 76 . ASN . 53427 1 77 . GLU . 53427 1 78 . ARG . 53427 1 79 . GLU . 53427 1 80 . ASP . 53427 1 81 . LEU . 53427 1 82 . GLU . 53427 1 83 . GLN . 53427 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 . MET 1 1 53427 1 . ALA 2 2 53427 1 . GLN 3 3 53427 1 . SER 4 4 53427 1 . GLY 5 5 53427 1 . GLY 6 6 53427 1 . GLU 7 7 53427 1 . ALA 8 8 53427 1 . ARG 9 9 53427 1 . PRO 10 10 53427 1 . GLY 11 11 53427 1 . PRO 12 12 53427 1 . LYS 13 13 53427 1 . THR 14 14 53427 1 . ALA 15 15 53427 1 . VAL 16 16 53427 1 . GLN 17 17 53427 1 . ILE 18 18 53427 1 . ARG 19 19 53427 1 . VAL 20 20 53427 1 . ALA 21 21 53427 1 . ILE 22 22 53427 1 . GLN 23 23 53427 1 . GLU 24 24 53427 1 . ALA 25 25 53427 1 . GLU 26 26 53427 1 . ASP 27 27 53427 1 . VAL 28 28 53427 1 . ASP 29 29 53427 1 . GLU 30 30 53427 1 . LEU 31 31 53427 1 . GLU 32 32 53427 1 . ASP 33 33 53427 1 . GLU 34 34 53427 1 . GLU 35 35 53427 1 . GLU 36 36 53427 1 . GLY 37 37 53427 1 . ALA 38 38 53427 1 . GLU 39 39 53427 1 . THR 40 40 53427 1 . ARG 41 41 53427 1 . GLY 42 42 53427 1 . ALA 43 43 53427 1 . GLY 44 44 53427 1 . ASP 45 45 53427 1 . PRO 46 46 53427 1 . ALA 47 47 53427 1 . ARG 48 48 53427 1 . TYR 49 49 53427 1 . LEU 50 50 53427 1 . SER 51 51 53427 1 . PRO 52 52 53427 1 . GLY 53 53 53427 1 . TRP 54 54 53427 1 . GLY 55 55 53427 1 . SER 56 56 53427 1 . ALA 57 57 53427 1 . SER 58 58 53427 1 . GLU 59 59 53427 1 . GLU 60 60 53427 1 . GLU 61 61 53427 1 . PRO 62 62 53427 1 . SER 63 63 53427 1 . ARG 64 64 53427 1 . GLY 65 65 53427 1 . HIS 66 66 53427 1 . SER 67 67 53427 1 . GLY 68 68 53427 1 . THR 69 69 53427 1 . THR 70 70 53427 1 . ALA 71 71 53427 1 . SER 72 72 53427 1 . GLY 73 73 53427 1 . GLY 74 74 53427 1 . GLU 75 75 53427 1 . ASN 76 76 53427 1 . GLU 77 77 53427 1 . ARG 78 78 53427 1 . GLU 79 79 53427 1 . ASP 80 80 53427 1 . LEU 81 81 53427 1 . GLU 82 82 53427 1 . GLN 83 83 53427 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53427 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53427 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53427 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta2(DE3) . . plasmid . . 'in house modified pET28' . . . 53427 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53427 _Sample.ID 1 _Sample.Name '13C 15N sample' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'LARP6 NTR (M1-Q83)' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 53427 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 53427 1 3 KCl 'natural abundance' . . . . . . 100 . . mM . . . . 53427 1 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 53427 1 5 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 53427 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53427 1 7 Tween-20 'natural abundance' . . . . . . 0.1 . . % . . . . 53427 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 53427 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'experimental conditions' _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' 238 . mM 53427 1 pH 7.25 . pH 53427 1 pressure 1 . atm 53427 1 temperature 293 . K 53427 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53427 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53427 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53427 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53427 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53427 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53427 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53427 _Software.ID 4 _Software.Type . _Software.Name MARS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53427 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 53427 _Software.ID 5 _Software.Type . _Software.Name SMILE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53427 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 53427 _Software.ID 6 _Software.Type . _Software.Name NEF-Pipelines _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53427 6 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 53427 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'AVANCE IIIHD' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE IIIHD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 53427 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'AVANCE IIIHD700' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE IIIHD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53427 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name 'AVANCE NEO' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53427 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 3 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 6 '3D HBHA(CBCACO)NH' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 7 H(NCOCA)NNH no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 8 '2D CON' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53427 1 9 (H)N(COCA)NNH no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53427 1 10 '2D 1H-13C HSQC aliphatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 11 '3D C(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 12 '3D H(CCO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 13 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 14 '3D (H)CCH-TOCSY' no . no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 1 15 '3D 13C-detected (HCA)COCON-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53427 1 16 '3D 13C-detected (H)CCCON-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53427 1 17 '3D 13C-detected H(CC)CON-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53427 1 18 '2D 1H-13C HSQC aromatic' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53427 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 53427 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift assignment' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water hydroxyl . . . . ppm 4.82 internal indirect 0.251449530 . . . . . 53427 1 H 1 water protons . . . . ppm 4.82 internal direct 1 . . . . . 53427 1 N 15 water hydroxyl . . . . ppm 4.82 internal indirect 0.101329118 . . . . . 53427 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 53427 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name larp6_ntr _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' . . . 53427 1 2 '3D HNCACB' . . . 53427 1 3 '3D CBCA(CO)NH' . . . 53427 1 4 '3D HNCO' . . . 53427 1 5 '3D HN(CA)CO' . . . 53427 1 6 '3D HBHA(CBCACO)NH' . . . 53427 1 7 H(NCOCA)NNH . . . 53427 1 8 '2D CON' . . . 53427 1 9 (H)N(COCA)NNH . . . 53427 1 10 '2D 1H-13C HSQC aliphatic' . . . 53427 1 11 '3D C(CO)NH' . . . 53427 1 12 '3D H(CCO)NH' . . . 53427 1 13 '3D HCCH-TOCSY' . . . 53427 1 14 '3D (H)CCH-TOCSY' . . . 53427 1 15 '3D 13C-detected (H)CCCON-TOCSY' . . . 53427 1 16 '3D 13C-detected H(CC)CON-TOCSY' . . . 53427 1 18 '2D 1H-13C HSQC aromatic' . . . 53427 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 53427 1 4 $software_4 . . 53427 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA HA H 1 4.343674975 0.0004049822753 . 1 . . . . . 2 ALA HA . 53427 1 2 . 1 . 1 2 2 ALA HB1 H 1 1.393159302 0.001299857888 . 1 . . . . . 2 ALA HB# . 53427 1 3 . 1 . 1 2 2 ALA HB2 H 1 1.393159302 0.001299857888 . 1 . . . . . 2 ALA HB# . 53427 1 4 . 1 . 1 2 2 ALA HB3 H 1 1.393159302 0.001299857888 . 1 . . . . . 2 ALA HB# . 53427 1 5 . 1 . 1 2 2 ALA C C 13 177.9134687 0.001494319709 . 1 . . . . . 2 ALA C . 53427 1 6 . 1 . 1 2 2 ALA CA C 13 52.76886478 0.1196797877 . 1 . . . . . 2 ALA CA . 53427 1 7 . 1 . 1 2 2 ALA CB C 13 19.28236299 0.01195803803 . 1 . . . . . 2 ALA CB . 53427 1 8 . 1 . 1 3 3 GLN H H 1 8.594909459 0.002902052748 . 1 . . . . . 3 GLN H . 53427 1 9 . 1 . 1 3 3 GLN HA H 1 4.379969784 . . 1 . . . . . 3 GLN HA . 53427 1 10 . 1 . 1 3 3 GLN HB2 H 1 2.005922123 0.0009105640411 . 2 . . . . . 3 GLN HB2 . 53427 1 11 . 1 . 1 3 3 GLN HB3 H 1 2.131599182 0.0009982640296 . 2 . . . . . 3 GLN HB3 . 53427 1 12 . 1 . 1 3 3 GLN HG2 H 1 2.385437392 . . 1 . . . . . 3 GLN HG# . 53427 1 13 . 1 . 1 3 3 GLN HG3 H 1 2.385437392 . . 1 . . . . . 3 GLN HG# . 53427 1 14 . 1 . 1 3 3 GLN HE21 H 1 6.884030819 . . 2 . . . . . 3 GLN HE21 . 53427 1 15 . 1 . 1 3 3 GLN HE22 H 1 7.557099342 . . 2 . . . . . 3 GLN HE22 . 53427 1 16 . 1 . 1 3 3 GLN C C 13 176.1752391 0.003089443219 . 1 . . . . . 3 GLN C . 53427 1 17 . 1 . 1 3 3 GLN CA C 13 55.94640036 0.04000159727 . 1 . . . . . 3 GLN CA . 53427 1 18 . 1 . 1 3 3 GLN CB C 13 29.37462337 0.02373146637 . 1 . . . . . 3 GLN CB . 53427 1 19 . 1 . 1 3 3 GLN CG C 13 33.81018823 . . 1 . . . . . 3 GLN CG . 53427 1 20 . 1 . 1 3 3 GLN CD C 13 180.6492462 . . 1 . . . . . 3 GLN CD . 53427 1 21 . 1 . 1 3 3 GLN N N 15 119.9025236 0.03408741273 . 1 . . . . . 3 GLN N . 53427 1 22 . 1 . 1 3 3 GLN NE2 N 15 112.6962865 0.01091005435 . 1 . . . . . 3 GLN NE2 . 53427 1 23 . 1 . 1 4 4 SER H H 1 8.445695802 0.003288638878 . 1 . . . . . 4 SER H . 53427 1 24 . 1 . 1 4 4 SER HA H 1 4.467595267 0.001722658984 . 1 . . . . . 4 SER HA . 53427 1 25 . 1 . 1 4 4 SER HB2 H 1 3.863089525 0.002156391954 . 2 . . . . . 4 SER HB2 . 53427 1 26 . 1 . 1 4 4 SER HB3 H 1 3.904090392 0.00107403529 . 2 . . . . . 4 SER HB3 . 53427 1 27 . 1 . 1 4 4 SER C C 13 175.0431137 0.007621765137 . 1 . . . . . 4 SER C . 53427 1 28 . 1 . 1 4 4 SER CA C 13 58.48445892 . . 1 . . . . . 4 SER CA . 53427 1 29 . 1 . 1 4 4 SER CB C 13 64.0660684 . . 1 . . . . . 4 SER CB . 53427 1 30 . 1 . 1 4 4 SER N N 15 117.5014132 0.08436130775 . 1 . . . . . 4 SER N . 53427 1 31 . 1 . 1 5 5 GLY H H 1 8.578083792 0.004813491105 . 1 . . . . . 5 GLY H . 53427 1 32 . 1 . 1 5 5 GLY HA2 H 1 4.008216122 0.0005872039483 . 1 . . . . . 5 GLY HA# . 53427 1 33 . 1 . 1 5 5 GLY HA3 H 1 4.008216122 0.0005872039483 . 1 . . . . . 5 GLY HA# . 53427 1 34 . 1 . 1 5 5 GLY C C 13 174.7218829 0.004414678211 . 1 . . . . . 5 GLY C . 53427 1 35 . 1 . 1 5 5 GLY CA C 13 45.49793041 0.01144123383 . 1 . . . . . 5 GLY CA . 53427 1 36 . 1 . 1 5 5 GLY N N 15 111.3209931 0.04434098672 . 1 . . . . . 5 GLY N . 53427 1 37 . 1 . 1 6 6 GLY H H 1 8.317587744 0.004012715754 . 1 . . . . . 6 GLY H . 53427 1 38 . 1 . 1 6 6 GLY HA2 H 1 3.955627464 0.0001069161877 . 1 . . . . . 6 GLY HA# . 53427 1 39 . 1 . 1 6 6 GLY HA3 H 1 3.955627464 0.0001069161877 . 1 . . . . . 6 GLY HA# . 53427 1 40 . 1 . 1 6 6 GLY C C 13 174.1533813 0.002090454102 . 1 . . . . . 6 GLY C . 53427 1 41 . 1 . 1 6 6 GLY CA C 13 45.17328835 0.07517052104 . 1 . . . . . 6 GLY CA . 53427 1 42 . 1 . 1 6 6 GLY N N 15 108.9056168 0.02430613871 . 1 . . . . . 6 GLY N . 53427 1 43 . 1 . 1 7 7 GLU H H 1 8.403613585 0.01111071819 . 1 . . . . . 7 GLU H . 53427 1 44 . 1 . 1 7 7 GLU HA H 1 4.253021551 0.0007975564886 . 1 . . . . . 7 GLU HA . 53427 1 45 . 1 . 1 7 7 GLU HB2 H 1 1.915363244 0.001574391204 . 2 . . . . . 7 GLU HB2 . 53427 1 46 . 1 . 1 7 7 GLU HB3 H 1 2.026392688 0.0005582575978 . 2 . . . . . 7 GLU HB3 . 53427 1 47 . 1 . 1 7 7 GLU HG2 H 1 2.255642618 . . 1 . . . . . 7 GLU HG# . 53427 1 48 . 1 . 1 7 7 GLU HG3 H 1 2.255642618 . . 1 . . . . . 7 GLU HG# . 53427 1 49 . 1 . 1 7 7 GLU C C 13 176.2192083 0.0006719202393 . 1 . . . . . 7 GLU C . 53427 1 50 . 1 . 1 7 7 GLU CA C 13 56.47400213 0.01032363839 . 1 . . . . . 7 GLU CA . 53427 1 51 . 1 . 1 7 7 GLU CB C 13 30.28591363 0.02516084499 . 1 . . . . . 7 GLU CB . 53427 1 52 . 1 . 1 7 7 GLU CG C 13 36.21077025 . . 1 . . . . . 7 GLU CG . 53427 1 53 . 1 . 1 7 7 GLU N N 15 120.6931108 0.09661088293 . 1 . . . . . 7 GLU N . 53427 1 54 . 1 . 1 8 8 ALA H H 1 8.381440073 0.004765661074 . 1 . . . . . 8 ALA H . 53427 1 55 . 1 . 1 8 8 ALA HA H 1 4.292446852 0.001172304153 . 1 . . . . . 8 ALA HA . 53427 1 56 . 1 . 1 8 8 ALA HB1 H 1 1.349611471 0.002786328966 . 1 . . . . . 8 ALA HB# . 53427 1 57 . 1 . 1 8 8 ALA HB2 H 1 1.349611471 0.002786328966 . 1 . . . . . 8 ALA HB# . 53427 1 58 . 1 . 1 8 8 ALA HB3 H 1 1.349611471 0.002786328966 . 1 . . . . . 8 ALA HB# . 53427 1 59 . 1 . 1 8 8 ALA C C 13 177.4104481 0.1113684751 . 1 . . . . . 8 ALA C . 53427 1 60 . 1 . 1 8 8 ALA CA C 13 52.49303915 0.1231641606 . 1 . . . . . 8 ALA CA . 53427 1 61 . 1 . 1 8 8 ALA CB C 13 19.08803014 0.01992770418 . 1 . . . . . 8 ALA CB . 53427 1 62 . 1 . 1 8 8 ALA N N 15 125.4540696 0.06445940788 . 1 . . . . . 8 ALA N . 53427 1 63 . 1 . 1 9 9 ARG H H 1 8.344471976 0.007237545454 . 1 . . . . . 9 ARG H . 53427 1 64 . 1 . 1 9 9 ARG HA H 1 4.621626377 . . 1 . . . . . 9 ARG HA . 53427 1 65 . 1 . 1 9 9 ARG HB2 H 1 1.704820514 . . 2 . . . . . 9 ARG HB2 . 53427 1 66 . 1 . 1 9 9 ARG HB3 H 1 1.832937956 . . 2 . . . . . 9 ARG HB3 . 53427 1 67 . 1 . 1 9 9 ARG HG2 H 1 1.657844067 . . 1 . . . . . 9 ARG HG# . 53427 1 68 . 1 . 1 9 9 ARG HG3 H 1 1.657844067 . . 1 . . . . . 9 ARG HG# . 53427 1 69 . 1 . 1 9 9 ARG HD2 H 1 3.208064795 . . 1 . . . . . 9 ARG HD# . 53427 1 70 . 1 . 1 9 9 ARG HD3 H 1 3.208064795 . . 1 . . . . . 9 ARG HD# . 53427 1 71 . 1 . 1 9 9 ARG C C 13 174.2066368 0.03243661989 . 1 . . . . . 9 ARG C . 53427 1 72 . 1 . 1 9 9 ARG CA C 13 53.7291069 0.0003814697266 . 1 . . . . . 9 ARG CA . 53427 1 73 . 1 . 1 9 9 ARG CB C 13 30.1684831 0.03842623712 . 1 . . . . . 9 ARG CB . 53427 1 74 . 1 . 1 9 9 ARG CG C 13 26.90317726 . . 1 . . . . . 9 ARG CG . 53427 1 75 . 1 . 1 9 9 ARG CD C 13 43.50509644 . . 1 . . . . . 9 ARG CD . 53427 1 76 . 1 . 1 9 9 ARG N N 15 122.6427334 3.749552345 . 1 . . . . . 9 ARG N . 53427 1 77 . 1 . 1 10 10 PRO HA H 1 4.450311664 0.001541134315 . 1 . . . . . 10 PRO HA . 53427 1 78 . 1 . 1 10 10 PRO HB2 H 1 1.951079687 0.000820477853 . 2 . . . . . 10 PRO HB2 . 53427 1 79 . 1 . 1 10 10 PRO HB3 H 1 2.293111879 0.001747292081 . 2 . . . . . 10 PRO HB3 . 53427 1 80 . 1 . 1 10 10 PRO HG2 H 1 2.010816574 . . 2 . . . . . 10 PRO HG2 . 53427 1 81 . 1 . 1 10 10 PRO HG3 H 1 2.026676655 . . 2 . . . . . 10 PRO HG3 . 53427 1 82 . 1 . 1 10 10 PRO HD2 H 1 3.635771036 . . 2 . . . . . 10 PRO HD2 . 53427 1 83 . 1 . 1 10 10 PRO HD3 H 1 3.771304131 . . 2 . . . . . 10 PRO HD3 . 53427 1 84 . 1 . 1 10 10 PRO C C 13 177.1447567 0.006749113451 . 1 . . . . . 10 PRO C . 53427 1 85 . 1 . 1 10 10 PRO CA C 13 63.26009815 0.01566583619 . 1 . . . . . 10 PRO CA . 53427 1 86 . 1 . 1 10 10 PRO CB C 13 32.30203721 0.03984538205 . 1 . . . . . 10 PRO CB . 53427 1 87 . 1 . 1 10 10 PRO CG C 13 27.1912899 . . 1 . . . . . 10 PRO CG . 53427 1 88 . 1 . 1 10 10 PRO CD C 13 50.67571259 . . 1 . . . . . 10 PRO CD . 53427 1 89 . 1 . 1 10 10 PRO N N 15 137.2664584 . . 1 . . . . . 10 PRO N . 53427 1 90 . 1 . 1 11 11 GLY H H 1 8.355881154 0.00344824787 . 1 . . . . . 11 GLY H . 53427 1 91 . 1 . 1 11 11 GLY HA2 H 1 4.01070118 . . 2 . . . . . 11 GLY HA2 . 53427 1 92 . 1 . 1 11 11 GLY HA3 H 1 4.179365635 . . 2 . . . . . 11 GLY HA3 . 53427 1 93 . 1 . 1 11 11 GLY C C 13 171.80278 0.01063770569 . 1 . . . . . 11 GLY C . 53427 1 94 . 1 . 1 11 11 GLY CA C 13 44.47084492 0.02519160795 . 1 . . . . . 11 GLY CA . 53427 1 95 . 1 . 1 11 11 GLY N N 15 109.4508533 0.04676999894 . 1 . . . . . 11 GLY N . 53427 1 96 . 1 . 1 12 12 PRO HA H 1 4.428695073 0.002764810299 . 1 . . . . . 12 PRO HA . 53427 1 97 . 1 . 1 12 12 PRO HB2 H 1 1.915329209 0.001273551294 . 2 . . . . . 12 PRO HB2 . 53427 1 98 . 1 . 1 12 12 PRO HB3 H 1 2.283193714 0.0006905457618 . 2 . . . . . 12 PRO HB3 . 53427 1 99 . 1 . 1 12 12 PRO HG2 H 1 2.005313546 . . 1 . . . . . 12 PRO HG# . 53427 1 100 . 1 . 1 12 12 PRO HG3 H 1 2.005313546 . . 1 . . . . . 12 PRO HG# . 53427 1 101 . 1 . 1 12 12 PRO HD2 H 1 3.62104826 . . 1 . . . . . 12 PRO HD# . 53427 1 102 . 1 . 1 12 12 PRO HD3 H 1 3.62104826 . . 1 . . . . . 12 PRO HD# . 53427 1 103 . 1 . 1 12 12 PRO C C 13 177.286547 0.002515356823 . 1 . . . . . 12 PRO C . 53427 1 104 . 1 . 1 12 12 PRO CA C 13 63.11336354 0.04866151304 . 1 . . . . . 12 PRO CA . 53427 1 105 . 1 . 1 12 12 PRO CB C 13 32.2491834 0.05085889395 . 1 . . . . . 12 PRO CB . 53427 1 106 . 1 . 1 12 12 PRO CG C 13 27.1782006 . . 1 . . . . . 12 PRO CG . 53427 1 107 . 1 . 1 12 12 PRO CD C 13 49.86445706 . . 1 . . . . . 12 PRO CD . 53427 1 108 . 1 . 1 12 12 PRO N N 15 134.4880000 . . 1 . . . . . 12 PRO N . 53427 1 109 . 1 . 1 13 13 LYS H H 1 8.547344093 0.00777958066 . 1 . . . . . 13 LYS H . 53427 1 110 . 1 . 1 13 13 LYS HA H 1 4.363468308 0.0002583815771 . 1 . . . . . 13 LYS HA . 53427 1 111 . 1 . 1 13 13 LYS HB2 H 1 1.766116021 0.002488883104 . 2 . . . . . 13 LYS HB2 . 53427 1 112 . 1 . 1 13 13 LYS HB3 H 1 1.85406516 0.002341897717 . 2 . . . . . 13 LYS HB3 . 53427 1 113 . 1 . 1 13 13 LYS HG2 H 1 1.432641725 . . 2 . . . . . 13 LYS HG2 . 53427 1 114 . 1 . 1 13 13 LYS HG3 H 1 1.492611984 . . 2 . . . . . 13 LYS HG3 . 53427 1 115 . 1 . 1 13 13 LYS HD2 H 1 1.682898391 . . 1 . . . . . 13 LYS HD# . 53427 1 116 . 1 . 1 13 13 LYS HD3 H 1 1.682898391 . . 1 . . . . . 13 LYS HD# . 53427 1 117 . 1 . 1 13 13 LYS HE2 H 1 2.996439194 . . 1 . . . . . 13 LYS HE# . 53427 1 118 . 1 . 1 13 13 LYS HE3 H 1 2.996439194 . . 1 . . . . . 13 LYS HE# . 53427 1 119 . 1 . 1 13 13 LYS C C 13 176.9093137 . . 1 . . . . . 13 LYS C . 53427 1 120 . 1 . 1 13 13 LYS CA C 13 56.44768708 0.005150195657 . 1 . . . . . 13 LYS CA . 53427 1 121 . 1 . 1 13 13 LYS CB C 13 32.95801552 0.05582280031 . 1 . . . . . 13 LYS CB . 53427 1 122 . 1 . 1 13 13 LYS CG C 13 24.89599779 . . 1 . . . . . 13 LYS CG . 53427 1 123 . 1 . 1 13 13 LYS CD C 13 29.06720754 . . 1 . . . . . 13 LYS CD . 53427 1 124 . 1 . 1 13 13 LYS CE C 13 42.23051538 . . 1 . . . . . 13 LYS CE . 53427 1 125 . 1 . 1 13 13 LYS N N 15 121.488525 0.06652373881 . 1 . . . . . 13 LYS N . 53427 1 126 . 1 . 1 14 14 THR H H 1 8.093727559 0.003156737352 . 1 . . . . . 14 THR H . 53427 1 127 . 1 . 1 14 14 THR HA H 1 4.291141742 0.0005106970626 . 1 . . . . . 14 THR HA . 53427 1 128 . 1 . 1 14 14 THR HB H 1 4.199216559 0.0009422492637 . 1 . . . . . 14 THR HB . 53427 1 129 . 1 . 1 14 14 THR HG21 H 1 1.2005662 . . 1 . . . . . 14 THR HG2# . 53427 1 130 . 1 . 1 14 14 THR HG22 H 1 1.2005662 . . 1 . . . . . 14 THR HG2# . 53427 1 131 . 1 . 1 14 14 THR HG23 H 1 1.2005662 . . 1 . . . . . 14 THR HG2# . 53427 1 132 . 1 . 1 14 14 THR C C 13 174.1268116 0.002681362485 . 1 . . . . . 14 THR C . 53427 1 133 . 1 . 1 14 14 THR CA C 13 61.67480503 0.02860767139 . 1 . . . . . 14 THR CA . 53427 1 134 . 1 . 1 14 14 THR CB C 13 70.02606178 0.04792405422 . 1 . . . . . 14 THR CB . 53427 1 135 . 1 . 1 14 14 THR CG2 C 13 21.68785925 . . 1 . . . . . 14 THR CG2 . 53427 1 136 . 1 . 1 14 14 THR N N 15 115.3488721 0.06463792093 . 1 . . . . . 14 THR N . 53427 1 137 . 1 . 1 15 15 ALA H H 1 8.383161095 0.005043237836 . 1 . . . . . 15 ALA H . 53427 1 138 . 1 . 1 15 15 ALA HA H 1 4.328349678 0.0004168951212 . 1 . . . . . 15 ALA HA . 53427 1 139 . 1 . 1 15 15 ALA HB1 H 1 1.375880165 0.001234079907 . 1 . . . . . 15 ALA HB# . 53427 1 140 . 1 . 1 15 15 ALA HB2 H 1 1.375880165 0.001234079907 . 1 . . . . . 15 ALA HB# . 53427 1 141 . 1 . 1 15 15 ALA HB3 H 1 1.375880165 0.001234079907 . 1 . . . . . 15 ALA HB# . 53427 1 142 . 1 . 1 15 15 ALA C C 13 177.7051906 0.1132768186 . 1 . . . . . 15 ALA C . 53427 1 143 . 1 . 1 15 15 ALA CA C 13 52.6303252 0.004505042247 . 1 . . . . . 15 ALA CA . 53427 1 144 . 1 . 1 15 15 ALA CB C 13 19.2368164 0.005759648504 . 1 . . . . . 15 ALA CB . 53427 1 145 . 1 . 1 15 15 ALA N N 15 126.5810569 0.1000787894 . 1 . . . . . 15 ALA N . 53427 1 146 . 1 . 1 16 16 VAL H H 1 8.102895392 0.005198883595 . 1 . . . . . 16 VAL H . 53427 1 147 . 1 . 1 16 16 VAL HA H 1 4.031388577 0.002617012927 . 1 . . . . . 16 VAL HA . 53427 1 148 . 1 . 1 16 16 VAL HB H 1 2.021555397 0.001430061546 . 1 . . . . . 16 VAL HB . 53427 1 149 . 1 . 1 16 16 VAL HG11 H 1 0.9385560751 . . 2 . . . . . 16 VAL HG1# . 53427 1 150 . 1 . 1 16 16 VAL HG12 H 1 0.9385560751 . . 2 . . . . . 16 VAL HG1# . 53427 1 151 . 1 . 1 16 16 VAL HG13 H 1 0.9385560751 . . 2 . . . . . 16 VAL HG1# . 53427 1 152 . 1 . 1 16 16 VAL HG21 H 1 0.9179341197 . . 2 . . . . . 16 VAL HG2# . 53427 1 153 . 1 . 1 16 16 VAL HG22 H 1 0.9179341197 . . 2 . . . . . 16 VAL HG2# . 53427 1 154 . 1 . 1 16 16 VAL HG23 H 1 0.9179341197 . . 2 . . . . . 16 VAL HG2# . 53427 1 155 . 1 . 1 16 16 VAL C C 13 176.1068585 0.007063633323 . 1 . . . . . 16 VAL C . 53427 1 156 . 1 . 1 16 16 VAL CA C 13 62.54648668 0.0155822633 . 1 . . . . . 16 VAL CA . 53427 1 157 . 1 . 1 16 16 VAL CB C 13 32.67114694 0.004237580543 . 1 . . . . . 16 VAL CB . 53427 1 158 . 1 . 1 16 16 VAL CG1 C 13 20.76802444 . . 2 . . . . . 16 VAL CG1 . 53427 1 159 . 1 . 1 16 16 VAL CG2 C 13 20.96994209 . . 2 . . . . . 16 VAL CG2 . 53427 1 160 . 1 . 1 16 16 VAL N N 15 119.7234681 0.0711957412 . 1 . . . . . 16 VAL N . 53427 1 161 . 1 . 1 17 17 GLN H H 1 8.411194176 0.007140427223 . 1 . . . . . 17 GLN H . 53427 1 162 . 1 . 1 17 17 GLN HA H 1 4.330211155 0.002006538635 . 1 . . . . . 17 GLN HA . 53427 1 163 . 1 . 1 17 17 GLN HB2 H 1 1.974522653 0.003319200606 . 2 . . . . . 17 GLN HB2 . 53427 1 164 . 1 . 1 17 17 GLN HB3 H 1 2.027188775 0.0005188019979 . 2 . . . . . 17 GLN HB3 . 53427 1 165 . 1 . 1 17 17 GLN HG2 H 1 2.33402586 . . 1 . . . . . 17 GLN HG# . 53427 1 166 . 1 . 1 17 17 GLN HG3 H 1 2.33402586 . . 1 . . . . . 17 GLN HG# . 53427 1 167 . 1 . 1 17 17 GLN HE21 H 1 6.890326023 . . 2 . . . . . 17 GLN HE21 . 53427 1 168 . 1 . 1 17 17 GLN HE22 H 1 7.550816536 . . 2 . . . . . 17 GLN HE22 . 53427 1 169 . 1 . 1 17 17 GLN C C 13 175.8392347 0.002457987092 . 1 . . . . . 17 GLN C . 53427 1 170 . 1 . 1 17 17 GLN CA C 13 55.82678697 0.0092973478 . 1 . . . . . 17 GLN CA . 53427 1 171 . 1 . 1 17 17 GLN CB C 13 29.61625904 0.05226665767 . 1 . . . . . 17 GLN CB . 53427 1 172 . 1 . 1 17 17 GLN CG C 13 33.88734055 . . 1 . . . . . 17 GLN CG . 53427 1 173 . 1 . 1 17 17 GLN CD C 13 180.4984436 . . 1 . . . . . 17 GLN CD . 53427 1 174 . 1 . 1 17 17 GLN N N 15 124.3857675 0.1000413011 . 1 . . . . . 17 GLN N . 53427 1 175 . 1 . 1 17 17 GLN NE2 N 15 112.6301371 0.01244758931 . 1 . . . . . 17 GLN NE2 . 53427 1 176 . 1 . 1 18 18 ILE H H 1 8.265618716 0.003116551823 . 1 . . . . . 18 ILE H . 53427 1 177 . 1 . 1 18 18 ILE HA H 1 4.104849244 0.003767908847 . 1 . . . . . 18 ILE HA . 53427 1 178 . 1 . 1 18 18 ILE HB H 1 1.824487094 0.002694815629 . 1 . . . . . 18 ILE HB . 53427 1 179 . 1 . 1 18 18 ILE HG12 H 1 1.166752913 . . 2 . . . . . 18 ILE HG12 . 53427 1 180 . 1 . 1 18 18 ILE HG13 H 1 1.463417005 . . 2 . . . . . 18 ILE HG13 . 53427 1 181 . 1 . 1 18 18 ILE HG21 H 1 0.8748472777 . . 1 . . . . . 18 ILE HG2# . 53427 1 182 . 1 . 1 18 18 ILE HG22 H 1 0.8748472777 . . 1 . . . . . 18 ILE HG2# . 53427 1 183 . 1 . 1 18 18 ILE HG23 H 1 0.8748472777 . . 1 . . . . . 18 ILE HG2# . 53427 1 184 . 1 . 1 18 18 ILE HD11 H 1 0.8430036306 . . 1 . . . . . 18 ILE HD1# . 53427 1 185 . 1 . 1 18 18 ILE HD12 H 1 0.8430036306 . . 1 . . . . . 18 ILE HD1# . 53427 1 186 . 1 . 1 18 18 ILE HD13 H 1 0.8430036306 . . 1 . . . . . 18 ILE HD1# . 53427 1 187 . 1 . 1 18 18 ILE C C 13 176.0260744 0.02457840524 . 1 . . . . . 18 ILE C . 53427 1 188 . 1 . 1 18 18 ILE CA C 13 61.32587287 0.007101427049 . 1 . . . . . 18 ILE CA . 53427 1 189 . 1 . 1 18 18 ILE CB C 13 38.64566486 0.01073931914 . 1 . . . . . 18 ILE CB . 53427 1 190 . 1 . 1 18 18 ILE CG1 C 13 27.3853684 . . 1 . . . . . 18 ILE CG1 . 53427 1 191 . 1 . 1 18 18 ILE CG2 C 13 17.42632439 . . 1 . . . . . 18 ILE CG2 . 53427 1 192 . 1 . 1 18 18 ILE CD1 C 13 12.68090534 . . 1 . . . . . 18 ILE CD1 . 53427 1 193 . 1 . 1 18 18 ILE N N 15 123.2683026 0.04293811827 . 1 . . . . . 18 ILE N . 53427 1 194 . 1 . 1 19 19 ARG H H 1 8.404268563 0.004057386461 . 1 . . . . . 19 ARG H . 53427 1 195 . 1 . 1 19 19 ARG HA H 1 4.369934081 0.004054829146 . 1 . . . . . 19 ARG HA . 53427 1 196 . 1 . 1 19 19 ARG HB2 H 1 1.743330194 0.0003631635576 . 2 . . . . . 19 ARG HB2 . 53427 1 197 . 1 . 1 19 19 ARG HB3 H 1 1.81178349 0.000099777 . 2 . . . . . 19 ARG HB3 . 53427 1 198 . 1 . 1 19 19 ARG HG2 H 1 1.55305041 . . 2 . . . . . 19 ARG HG2 . 53427 1 199 . 1 . 1 19 19 ARG HG3 H 1 1.623911637 . . 2 . . . . . 19 ARG HG3 . 53427 1 200 . 1 . 1 19 19 ARG HD2 H 1 3.177 . . 1 . . . . . 19 ARG HD2 . 53427 1 201 . 1 . 1 19 19 ARG HD3 H 1 3.177 . . 1 . . . . . 19 ARG HD3 . 53427 1 202 . 1 . 1 19 19 ARG C C 13 176.0187758 0.01401507614 . 1 . . . . . 19 ARG C . 53427 1 203 . 1 . 1 19 19 ARG CA C 13 56.13178489 0.01313590901 . 1 . . . . . 19 ARG CA . 53427 1 204 . 1 . 1 19 19 ARG CB C 13 30.890952 0.04023998851 . 1 . . . . . 19 ARG CB . 53427 1 205 . 1 . 1 19 19 ARG CG C 13 27.17960769 . . 1 . . . . . 19 ARG CG . 53427 1 206 . 1 . 1 19 19 ARG CD C 13 43.35148956 . . 1 . . . . . 19 ARG CD . 53427 1 207 . 1 . 1 19 19 ARG N N 15 125.5959933 0.06538623694 . 1 . . . . . 19 ARG N . 53427 1 208 . 1 . 1 20 20 VAL H H 1 8.218522191 0.003216437342 . 1 . . . . . 20 VAL H . 53427 1 209 . 1 . 1 20 20 VAL HA H 1 4.064386876 0.0009117331431 . 1 . . . . . 20 VAL HA . 53427 1 210 . 1 . 1 20 20 VAL HB H 1 2.039534808 0.001761716895 . 1 . . . . . 20 VAL HB . 53427 1 211 . 1 . 1 20 20 VAL HG11 H 1 0.9207571745 . . 2 . . . . . 20 VAL HG1# . 53427 1 212 . 1 . 1 20 20 VAL HG12 H 1 0.9207571745 . . 2 . . . . . 20 VAL HG1# . 53427 1 213 . 1 . 1 20 20 VAL HG13 H 1 0.9207571745 . . 2 . . . . . 20 VAL HG1# . 53427 1 214 . 1 . 1 20 20 VAL HG21 H 1 0.928768754 . . 2 . . . . . 20 VAL HG2# . 53427 1 215 . 1 . 1 20 20 VAL HG22 H 1 0.928768754 . . 2 . . . . . 20 VAL HG2# . 53427 1 216 . 1 . 1 20 20 VAL HG23 H 1 0.928768754 . . 2 . . . . . 20 VAL HG2# . 53427 1 217 . 1 . 1 20 20 VAL C C 13 175.797571 0.2295934298 . 1 . . . . . 20 VAL C . 53427 1 218 . 1 . 1 20 20 VAL CA C 13 62.35398484 0.0436768194 . 1 . . . . . 20 VAL CA . 53427 1 219 . 1 . 1 20 20 VAL CB C 13 32.85162394 0.04561803052 . 1 . . . . . 20 VAL CB . 53427 1 220 . 1 . 1 20 20 VAL CG1 C 13 20.59906441 . . 2 . . . . . 20 VAL CG1 . 53427 1 221 . 1 . 1 20 20 VAL CG2 C 13 21.15622584 . . 2 . . . . . 20 VAL CG2 . 53427 1 222 . 1 . 1 20 20 VAL N N 15 122.3221109 0.06345202927 . 1 . . . . . 20 VAL N . 53427 1 223 . 1 . 1 21 21 ALA H H 1 8.360676816 0.004737997389 . 1 . . . . . 21 ALA H . 53427 1 224 . 1 . 1 21 21 ALA HA H 1 4.325378472 0.0006364244714 . 1 . . . . . 21 ALA HA . 53427 1 225 . 1 . 1 21 21 ALA HB1 H 1 1.357124968 0.001401403929 . 1 . . . . . 21 ALA HB# . 53427 1 226 . 1 . 1 21 21 ALA HB2 H 1 1.357124968 0.001401403929 . 1 . . . . . 21 ALA HB# . 53427 1 227 . 1 . 1 21 21 ALA HB3 H 1 1.357124968 0.001401403929 . 1 . . . . . 21 ALA HB# . 53427 1 228 . 1 . 1 21 21 ALA C C 13 177.5112172 0.06395223052 . 1 . . . . . 21 ALA C . 53427 1 229 . 1 . 1 21 21 ALA CA C 13 52.52939601 0.08194569869 . 1 . . . . . 21 ALA CA . 53427 1 230 . 1 . 1 21 21 ALA CB C 13 19.23816712 0.004793063303 . 1 . . . . . 21 ALA CB . 53427 1 231 . 1 . 1 21 21 ALA N N 15 127.8069596 0.08090283374 . 1 . . . . . 21 ALA N . 53427 1 232 . 1 . 1 22 22 ILE H H 1 8.139194395 0.005563426743 . 1 . . . . . 22 ILE H . 53427 1 233 . 1 . 1 22 22 ILE HA H 1 4.110000000 0.016057825 . 1 . . . . . 22 ILE HA . 53427 1 234 . 1 . 1 22 22 ILE HB H 1 1.836000000 0.020000000 . 1 . . . . . 22 ILE HB . 53427 1 235 . 1 . 1 22 22 ILE HG12 H 1 1.172976494 . . 2 . . . . . 22 ILE HG12 . 53427 1 236 . 1 . 1 22 22 ILE HG13 H 1 1.462153673 . . 2 . . . . . 22 ILE HG13 . 53427 1 237 . 1 . 1 22 22 ILE HG21 H 1 0.8900858164 . . 1 . . . . . 22 ILE HG2# . 53427 1 238 . 1 . 1 22 22 ILE HG22 H 1 0.8900858164 . . 1 . . . . . 22 ILE HG2# . 53427 1 239 . 1 . 1 22 22 ILE HG23 H 1 0.8900858164 . . 1 . . . . . 22 ILE HG2# . 53427 1 240 . 1 . 1 22 22 ILE HD11 H 1 0.8448451161 . . 1 . . . . . 22 ILE HD1# . 53427 1 241 . 1 . 1 22 22 ILE HD12 H 1 0.8448451161 . . 1 . . . . . 22 ILE HD1# . 53427 1 242 . 1 . 1 22 22 ILE HD13 H 1 0.8448451161 . . 1 . . . . . 22 ILE HD1# . 53427 1 243 . 1 . 1 22 22 ILE C C 13 176.2435779 0.00450317701 . 1 . . . . . 22 ILE C . 53427 1 244 . 1 . 1 22 22 ILE CA C 13 61.26348332 0.001360215083 . 1 . . . . . 22 ILE CA . 53427 1 245 . 1 . 1 22 22 ILE CB C 13 38.78238148 0.02545314119 . 1 . . . . . 22 ILE CB . 53427 1 246 . 1 . 1 22 22 ILE CG1 C 13 27.30766296 . . 1 . . . . . 22 ILE CG1 . 53427 1 247 . 1 . 1 22 22 ILE CG2 C 13 17.59457016 . . 1 . . . . . 22 ILE CG2 . 53427 1 248 . 1 . 1 22 22 ILE CD1 C 13 12.94486141 . . 1 . . . . . 22 ILE CD1 . 53427 1 249 . 1 . 1 22 22 ILE N N 15 120.615941 0.07102253317 . 1 . . . . . 22 ILE N . 53427 1 250 . 1 . 1 23 23 GLN H H 1 8.439343157 0.001463264855 . 1 . . . . . 23 GLN H . 53427 1 251 . 1 . 1 23 23 GLN HA H 1 4.326044321 0.003808259964 . 1 . . . . . 23 GLN HA . 53427 1 252 . 1 . 1 23 23 GLN HB2 H 1 1.972729206 0.004941225052 . 2 . . . . . 23 GLN HB2 . 53427 1 253 . 1 . 1 23 23 GLN HB3 H 1 2.070734739 0.001947641373 . 2 . . . . . 23 GLN HB3 . 53427 1 254 . 1 . 1 23 23 GLN HG2 H 1 2.340745687 . . 1 . . . . . 23 GLN HG# . 53427 1 255 . 1 . 1 23 23 GLN HG3 H 1 2.340745687 . . 1 . . . . . 23 GLN HG# . 53427 1 256 . 1 . 1 23 23 GLN HE21 H 1 6.872227669 . . 2 . . . . . 23 GLN HE21 . 53427 1 257 . 1 . 1 23 23 GLN HE22 H 1 7.592283726 . . 2 . . . . . 23 GLN HE22 . 53427 1 258 . 1 . 1 23 23 GLN C C 13 175.8108232 0.001188546054 . 1 . . . . . 23 GLN C . 53427 1 259 . 1 . 1 23 23 GLN CA C 13 55.91026291 0.00918975961 . 1 . . . . . 23 GLN CA . 53427 1 260 . 1 . 1 23 23 GLN CB C 13 29.48569814 0.05095425768 . 1 . . . . . 23 GLN CB . 53427 1 261 . 1 . 1 23 23 GLN CG C 13 33.71963501 . . 1 . . . . . 23 GLN CG . 53427 1 262 . 1 . 1 23 23 GLN CD C 13 180.552536 . . 1 . . . . . 23 GLN CD . 53427 1 263 . 1 . 1 23 23 GLN N N 15 124.4311875 0.01499816943 . 1 . . . . . 23 GLN N . 53427 1 264 . 1 . 1 23 23 GLN NE2 N 15 112.6734797 0.00443219151 . 1 . . . . . 23 GLN NE2 . 53427 1 265 . 1 . 1 24 24 GLU H H 1 8.513283203 0.00228039467 . 1 . . . . . 24 GLU H . 53427 1 266 . 1 . 1 24 24 GLU HA H 1 4.245989154 0.00387412676 . 1 . . . . . 24 GLU HA . 53427 1 267 . 1 . 1 24 24 GLU HB2 H 1 1.915228504 0.001793603952 . 2 . . . . . 24 GLU HB2 . 53427 1 268 . 1 . 1 24 24 GLU HB3 H 1 2.048449307 0.002380585665 . 2 . . . . . 24 GLU HB3 . 53427 1 269 . 1 . 1 24 24 GLU HG2 H 1 2.245816886 . . 2 . . . . . 24 GLU HG2 . 53427 1 270 . 1 . 1 24 24 GLU HG3 H 1 2.279041052 . . 2 . . . . . 24 GLU HG3 . 53427 1 271 . 1 . 1 24 24 GLU C C 13 176.1173782 0.000129699707 . 1 . . . . . 24 GLU C . 53427 1 272 . 1 . 1 24 24 GLU CA C 13 56.6382459 0.02967579801 . 1 . . . . . 24 GLU CA . 53427 1 273 . 1 . 1 24 24 GLU CB C 13 30.33598618 0.05912117402 . 1 . . . . . 24 GLU CB . 53427 1 274 . 1 . 1 24 24 GLU CG C 13 36.24211452 . . 1 . . . . . 24 GLU CG . 53427 1 275 . 1 . 1 24 24 GLU N N 15 122.9691206 0.048282411 . 1 . . . . . 24 GLU N . 53427 1 276 . 1 . 1 25 25 ALA H H 1 8.332321645 0.005886458312 . 1 . . . . . 25 ALA H . 53427 1 277 . 1 . 1 25 25 ALA HA H 1 4.294576922 0.001097537798 . 1 . . . . . 25 ALA HA . 53427 1 278 . 1 . 1 25 25 ALA HB1 H 1 1.382075303 0.002375740267 . 1 . . . . . 25 ALA HB# . 53427 1 279 . 1 . 1 25 25 ALA HB2 H 1 1.382075303 0.002375740267 . 1 . . . . . 25 ALA HB# . 53427 1 280 . 1 . 1 25 25 ALA HB3 H 1 1.382075303 0.002375740267 . 1 . . . . . 25 ALA HB# . 53427 1 281 . 1 . 1 25 25 ALA C C 13 177.5817808 0.01117841563 . 1 . . . . . 25 ALA C . 53427 1 282 . 1 . 1 25 25 ALA CA C 13 52.58277839 0.01291241652 . 1 . . . . . 25 ALA CA . 53427 1 283 . 1 . 1 25 25 ALA CB C 13 19.49095614 0.0097936525 . 1 . . . . . 25 ALA CB . 53427 1 284 . 1 . 1 25 25 ALA N N 15 124.846116 0.07079406273 . 1 . . . . . 25 ALA N . 53427 1 285 . 1 . 1 26 26 GLU H H 1 8.401161678 0.00444926273 . 1 . . . . . 26 GLU H . 53427 1 286 . 1 . 1 26 26 GLU HA H 1 4.256413562 0.002678789706 . 1 . . . . . 26 GLU HA . 53427 1 287 . 1 . 1 26 26 GLU HB2 H 1 1.905533369 0.000711734719 . 2 . . . . . 26 GLU HB2 . 53427 1 288 . 1 . 1 26 26 GLU HB3 H 1 2.026545553 . . 2 . . . . . 26 GLU HB3 . 53427 1 289 . 1 . 1 26 26 GLU HG2 H 1 2.230923878 . . 1 . . . . . 26 GLU HG2 . 53427 1 290 . 1 . 1 26 26 GLU HG3 H 1 2.274360766 . . 1 . . . . . 26 GLU HG3 . 53427 1 291 . 1 . 1 26 26 GLU C C 13 176.1507714 0.00801015987 . 1 . . . . . 26 GLU C . 53427 1 292 . 1 . 1 26 26 GLU CA C 13 56.52830027 0.04006673268 . 1 . . . . . 26 GLU CA . 53427 1 293 . 1 . 1 26 26 GLU CB C 13 30.4730737 0.01710865386 . 1 . . . . . 26 GLU CB . 53427 1 294 . 1 . 1 26 26 GLU CG C 13 36.21787668 . . 1 . . . . . 26 GLU CG . 53427 1 295 . 1 . 1 26 26 GLU N N 15 120.1276301 0.08043407193 . 1 . . . . . 26 GLU N . 53427 1 296 . 1 . 1 27 27 ASP H H 1 8.401645373 0.008269570055 . 1 . . . . . 27 ASP H . 53427 1 297 . 1 . 1 27 27 ASP HA H 1 4.627453656 0.001836466993 . 1 . . . . . 27 ASP HA . 53427 1 298 . 1 . 1 27 27 ASP HB2 H 1 2.576964196 0.003016980782 . 2 . . . . . 27 ASP HB2 . 53427 1 299 . 1 . 1 27 27 ASP HB3 H 1 2.70784614 0.0009932039702 . 2 . . . . . 27 ASP HB3 . 53427 1 300 . 1 . 1 27 27 ASP C C 13 176.0707855 0.00244140625 . 1 . . . . . 27 ASP C . 53427 1 301 . 1 . 1 27 27 ASP CA C 13 54.23333094 0.005888722412 . 1 . . . . . 27 ASP CA . 53427 1 302 . 1 . 1 27 27 ASP CB C 13 41.11299174 0.01548044659 . 1 . . . . . 27 ASP CB . 53427 1 303 . 1 . 1 27 27 ASP N N 15 121.7251786 0.1250610086 . 1 . . . . . 27 ASP N . 53427 1 304 . 1 . 1 28 28 VAL H H 1 8.070292872 0.005814327841 . 1 . . . . . 28 VAL H . 53427 1 305 . 1 . 1 28 28 VAL HA H 1 4.126517057 0.002168416977 . 1 . . . . . 28 VAL HA . 53427 1 306 . 1 . 1 28 28 VAL HB H 1 2.096476197 0.003826975822 . 1 . . . . . 28 VAL HB . 53427 1 307 . 1 . 1 28 28 VAL HG11 H 1 0.9013957977 . . 2 . . . . . 28 VAL HG# . 53427 1 308 . 1 . 1 28 28 VAL HG12 H 1 0.9013957977 . . 2 . . . . . 28 VAL HG# . 53427 1 309 . 1 . 1 28 28 VAL HG13 H 1 0.9013957977 . . 2 . . . . . 28 VAL HG# . 53427 1 310 . 1 . 1 28 28 VAL HG21 H 1 0.9013957977 . . 2 . . . . . 28 VAL HG# . 53427 1 311 . 1 . 1 28 28 VAL HG22 H 1 0.9013957977 . . 2 . . . . . 28 VAL HG# . 53427 1 312 . 1 . 1 28 28 VAL HG23 H 1 0.9013957977 . . 2 . . . . . 28 VAL HG# . 53427 1 313 . 1 . 1 28 28 VAL C C 13 175.8382358 0.003747835716 . 1 . . . . . 28 VAL C . 53427 1 314 . 1 . 1 28 28 VAL CA C 13 62.16026191 0.001581947931 . 1 . . . . . 28 VAL CA . 53427 1 315 . 1 . 1 28 28 VAL CB C 13 32.93133128 0.01959574932 . 1 . . . . . 28 VAL CB . 53427 1 316 . 1 . 1 28 28 VAL CG1 C 13 20.14625931 . . 2 . . . . . 28 VAL CG1 . 53427 1 317 . 1 . 1 28 28 VAL CG2 C 13 21.15882874 . . 2 . . . . . 28 VAL CG2 . 53427 1 318 . 1 . 1 28 28 VAL N N 15 119.7963622 0.06468906175 . 1 . . . . . 28 VAL N . 53427 1 319 . 1 . 1 29 29 ASP H H 1 8.416159149 0.00119103708 . 1 . . . . . 29 ASP H . 53427 1 320 . 1 . 1 29 29 ASP HA H 1 4.610248089 0.001306056976 . 1 . . . . . 29 ASP HA . 53427 1 321 . 1 . 1 29 29 ASP HB2 H 1 2.566787958 0.001063585281 . 2 . . . . . 29 ASP HB2 . 53427 1 322 . 1 . 1 29 29 ASP HB3 H 1 2.686342239 0.0005702972412 . 2 . . . . . 29 ASP HB3 . 53427 1 323 . 1 . 1 29 29 ASP C C 13 176.134613 . . 1 . . . . . 29 ASP C . 53427 1 324 . 1 . 1 29 29 ASP CA C 13 54.51839377 0.01155541704 . 1 . . . . . 29 ASP CA . 53427 1 325 . 1 . 1 29 29 ASP CB C 13 41.33034777 0.01574969068 . 1 . . . . . 29 ASP CB . 53427 1 326 . 1 . 1 29 29 ASP N N 15 124.1861582 0.06042587883 . 1 . . . . . 29 ASP N . 53427 1 327 . 1 . 1 30 30 GLU H H 1 8.342376698 0.001426140301 . 1 . . . . . 30 GLU H . 53427 1 328 . 1 . 1 30 30 GLU HA H 1 4.264647855 0.004176228004 . 1 . . . . . 30 GLU HA . 53427 1 329 . 1 . 1 30 30 GLU HB2 H 1 1.907279067 0.002482487495 . 2 . . . . . 30 GLU HB2 . 53427 1 330 . 1 . 1 30 30 GLU HB3 H 1 2.039317396 0.001599275003 . 2 . . . . . 30 GLU HB3 . 53427 1 331 . 1 . 1 30 30 GLU HG2 H 1 2.220664263 . . 2 . . . . . 30 GLU HG2 . 53427 1 332 . 1 . 1 30 30 GLU HG3 H 1 2.263248742 . . 2 . . . . . 30 GLU HG3 . 53427 1 333 . 1 . 1 30 30 GLU C C 13 176.2591782 0.01065826416 . 1 . . . . . 30 GLU C . 53427 1 334 . 1 . 1 30 30 GLU CA C 13 56.46463438 0.01347013407 . 1 . . . . . 30 GLU CA . 53427 1 335 . 1 . 1 30 30 GLU CB C 13 30.36587293 0.02436597503 . 1 . . . . . 30 GLU CB . 53427 1 336 . 1 . 1 30 30 GLU CG C 13 36.19483298 . . 1 . . . . . 30 GLU CG . 53427 1 337 . 1 . 1 30 30 GLU N N 15 121.5592146 0.0787939661 . 1 . . . . . 30 GLU N . 53427 1 338 . 1 . 1 31 31 LEU H H 1 8.307637612 0.00609251139 . 1 . . . . . 31 LEU H . 53427 1 339 . 1 . 1 31 31 LEU HA H 1 4.328335404 . . 1 . . . . . 31 LEU HA . 53427 1 340 . 1 . 1 31 31 LEU HB2 H 1 1.555155054 0.001183971442 . 2 . . . . . 31 LEU HB2 . 53427 1 341 . 1 . 1 31 31 LEU HB3 H 1 1.650221976 0.002319010509 . 2 . . . . . 31 LEU HB3 . 53427 1 342 . 1 . 1 31 31 LEU HG H 1 1.598376513 . . 1 . . . . . 31 LEU HG . 53427 1 343 . 1 . 1 31 31 LEU HD11 H 1 0.8566101789 . . 2 . . . . . 31 LEU HD1# . 53427 1 344 . 1 . 1 31 31 LEU HD12 H 1 0.8566101789 . . 2 . . . . . 31 LEU HD1# . 53427 1 345 . 1 . 1 31 31 LEU HD13 H 1 0.8566101789 . . 2 . . . . . 31 LEU HD1# . 53427 1 346 . 1 . 1 31 31 LEU HD21 H 1 0.915391922 . . 2 . . . . . 31 LEU HD2# . 53427 1 347 . 1 . 1 31 31 LEU HD22 H 1 0.915391922 . . 2 . . . . . 31 LEU HD2# . 53427 1 348 . 1 . 1 31 31 LEU HD23 H 1 0.915391922 . . 2 . . . . . 31 LEU HD2# . 53427 1 349 . 1 . 1 31 31 LEU C C 13 177.4087997 0.0007033643878 . 1 . . . . . 31 LEU C . 53427 1 350 . 1 . 1 31 31 LEU CA C 13 55.13711582 0.02922787383 . 1 . . . . . 31 LEU CA . 53427 1 351 . 1 . 1 31 31 LEU CB C 13 42.3503284 0.04170500218 . 1 . . . . . 31 LEU CB . 53427 1 352 . 1 . 1 31 31 LEU CG C 13 26.94301128 0.04266262262 . 1 . . . . . 31 LEU CG . 53427 1 353 . 1 . 1 31 31 LEU CD1 C 13 23.34041405 . . 2 . . . . . 31 LEU CD1 . 53427 1 354 . 1 . 1 31 31 LEU CD2 C 13 24.97610664 . . 2 . . . . . 31 LEU CD2 . 53427 1 355 . 1 . 1 31 31 LEU N N 15 123.3968752 0.08858746722 . 1 . . . . . 31 LEU N . 53427 1 356 . 1 . 1 32 32 GLU H H 1 8.411884838 0.006796580809 . 1 . . . . . 32 GLU H . 53427 1 357 . 1 . 1 32 32 GLU HA H 1 4.26994586 0.001551389694 . 1 . . . . . 32 GLU HA . 53427 1 358 . 1 . 1 32 32 GLU HB2 H 1 1.916074395 0.003200173378 . 2 . . . . . 32 GLU HB2 . 53427 1 359 . 1 . 1 32 32 GLU HB3 H 1 2.026975289 0.001481906019 . 2 . . . . . 32 GLU HB3 . 53427 1 360 . 1 . 1 32 32 GLU HG2 H 1 2.234248877 . . 2 . . . . . 32 GLU HG2 . 53427 1 361 . 1 . 1 32 32 GLU HG3 H 1 2.270524263 . . 2 . . . . . 32 GLU HG3 . 53427 1 362 . 1 . 1 32 32 GLU C C 13 176.1357869 0.002937024585 . 1 . . . . . 32 GLU C . 53427 1 363 . 1 . 1 32 32 GLU CA C 13 56.45191596 0.01761303042 . 1 . . . . . 32 GLU CA . 53427 1 364 . 1 . 1 32 32 GLU CB C 13 30.44517143 0.006527016206 . 1 . . . . . 32 GLU CB . 53427 1 365 . 1 . 1 32 32 GLU CG C 13 36.1970253 . . 1 . . . . . 32 GLU CG . 53427 1 366 . 1 . 1 32 32 GLU N N 15 122.1728359 0.1191164497 . 1 . . . . . 32 GLU N . 53427 1 367 . 1 . 1 33 33 ASP H H 1 8.402953429 0.002263323447 . 1 . . . . . 33 ASP H . 53427 1 368 . 1 . 1 33 33 ASP HA H 1 4.580784012 0.001772964038 . 1 . . . . . 33 ASP HA . 53427 1 369 . 1 . 1 33 33 ASP HB2 H 1 2.636460043 0.05613390456 . 2 . . . . . 33 ASP HB2 . 53427 1 370 . 1 . 1 33 33 ASP HB3 H 1 2.638094223 0.0537849084 . 2 . . . . . 33 ASP HB3 . 53427 1 371 . 1 . 1 33 33 ASP C C 13 176.2818066 0.0008159886232 . 1 . . . . . 33 ASP C . 53427 1 372 . 1 . 1 33 33 ASP CA C 13 54.51773268 . . 1 . . . . . 33 ASP CA . 53427 1 373 . 1 . 1 33 33 ASP CB C 13 41.40259671 0.000024079 . 1 . . . . . 33 ASP CB . 53427 1 374 . 1 . 1 33 33 ASP N N 15 121.9618373 0.09241127183 . 1 . . . . . 33 ASP N . 53427 1 375 . 1 . 1 34 34 GLU H H 1 8.447347012 0.003791638601 . 1 . . . . . 34 GLU H . 53427 1 376 . 1 . 1 34 34 GLU HA H 1 4.263835117 0.004031240699 . 1 . . . . . 34 GLU HA . 53427 1 377 . 1 . 1 34 34 GLU HB2 H 1 1.925741009 0.00309797763 . 2 . . . . . 34 GLU HB2 . 53427 1 378 . 1 . 1 34 34 GLU HB3 H 1 2.047744656 0.001814029671 . 2 . . . . . 34 GLU HB3 . 53427 1 379 . 1 . 1 34 34 GLU HG2 H 1 2.234836509 . . 2 . . . . . 34 GLU HG2 . 53427 1 380 . 1 . 1 34 34 GLU HG3 H 1 2.280496843 . . 2 . . . . . 34 GLU HG3 . 53427 1 381 . 1 . 1 34 34 GLU C C 13 176.5937314 0.003429855704 . 1 . . . . . 34 GLU C . 53427 1 382 . 1 . 1 34 34 GLU CA C 13 56.70270257 0.01373298902 . 1 . . . . . 34 GLU CA . 53427 1 383 . 1 . 1 34 34 GLU CB C 13 30.45850839 . . 1 . . . . . 34 GLU CB . 53427 1 384 . 1 . 1 34 34 GLU CG C 13 36.22850292 . . 1 . . . . . 34 GLU CG . 53427 1 385 . 1 . 1 34 34 GLU N N 15 121.8546681 0.1019322955 . 1 . . . . . 34 GLU N . 53427 1 386 . 1 . 1 35 35 GLU H H 1 8.492507548 0.009804980372 . 1 . . . . . 35 GLU H . 53427 1 387 . 1 . 1 35 35 GLU HA H 1 4.247874975 0.002632856369 . 1 . . . . . 35 GLU HA . 53427 1 388 . 1 . 1 35 35 GLU HB2 H 1 1.953201354 0.001794159412 . 2 . . . . . 35 GLU HB2 . 53427 1 389 . 1 . 1 35 35 GLU HB3 H 1 2.046987891 0.0004876852026 . 2 . . . . . 35 GLU HB3 . 53427 1 390 . 1 . 1 35 35 GLU HG2 H 1 2.235553026 . . 2 . . . . . 35 GLU HG2 . 53427 1 391 . 1 . 1 35 35 GLU HG3 H 1 2.280204296 . . 2 . . . . . 35 GLU HG3 . 53427 1 392 . 1 . 1 35 35 GLU C C 13 176.7076584 0.0008865950625 . 1 . . . . . 35 GLU C . 53427 1 393 . 1 . 1 35 35 GLU CA C 13 56.66230108 0.0460176611 . 1 . . . . . 35 GLU CA . 53427 1 394 . 1 . 1 35 35 GLU CB C 13 30.23317909 0.02959632873 . 1 . . . . . 35 GLU CB . 53427 1 395 . 1 . 1 35 35 GLU CG C 13 36.20243073 . . 1 . . . . . 35 GLU CG . 53427 1 396 . 1 . 1 35 35 GLU N N 15 122.1995299 0.06813970264 . 1 . . . . . 35 GLU N . 53427 1 397 . 1 . 1 36 36 GLU H H 1 8.508189204 0.001719078746 . 1 . . . . . 36 GLU H . 53427 1 398 . 1 . 1 36 36 GLU HA H 1 4.228039597 0.003638154456 . 1 . . . . . 36 GLU HA . 53427 1 399 . 1 . 1 36 36 GLU HB2 H 1 1.971602836 0.00096704765 . 2 . . . . . 36 GLU HB2 . 53427 1 400 . 1 . 1 36 36 GLU HB3 H 1 2.03169961 0.00234925095 . 2 . . . . . 36 GLU HB3 . 53427 1 401 . 1 . 1 36 36 GLU HG2 H 1 2.261836016 . . 2 . . . . . 36 GLU HG2 . 53427 1 402 . 1 . 1 36 36 GLU HG3 H 1 2.288383538 . . 2 . . . . . 36 GLU HG3 . 53427 1 403 . 1 . 1 36 36 GLU C C 13 177.2407608 0.00399017334 . 1 . . . . . 36 GLU C . 53427 1 404 . 1 . 1 36 36 GLU CA C 13 57.13953204 0.05153460134 . 1 . . . . . 36 GLU CA . 53427 1 405 . 1 . 1 36 36 GLU CB C 13 30.22252178 0.05434513092 . 1 . . . . . 36 GLU CB . 53427 1 406 . 1 . 1 36 36 GLU CG C 13 36.2101189 . . 1 . . . . . 36 GLU CG . 53427 1 407 . 1 . 1 36 36 GLU N N 15 122.905929 0.01715822594 . 1 . . . . . 36 GLU N . 53427 1 408 . 1 . 1 37 37 GLY H H 1 8.578983019 0.00308677434 . 1 . . . . . 37 GLY H . 53427 1 409 . 1 . 1 37 37 GLY HA2 H 1 3.958973523 0.0003596579432 . 1 . . . . . 37 GLY HA# . 53427 1 410 . 1 . 1 37 37 GLY HA3 H 1 3.958973523 0.0003596579432 . 1 . . . . . 37 GLY HA# . 53427 1 411 . 1 . 1 37 37 GLY C C 13 174.2951951 0.001145837211 . 1 . . . . . 37 GLY C . 53427 1 412 . 1 . 1 37 37 GLY CA C 13 45.49185939 0.01863102843 . 1 . . . . . 37 GLY CA . 53427 1 413 . 1 . 1 37 37 GLY N N 15 110.8280861 0.05644146104 . 1 . . . . . 37 GLY N . 53427 1 414 . 1 . 1 38 38 ALA H H 1 8.160621136 0.006548670675 . 1 . . . . . 38 ALA H . 53427 1 415 . 1 . 1 38 38 ALA HA H 1 4.236157669 0.0000668 . 1 . . . . . 38 ALA HA . 53427 1 416 . 1 . 1 38 38 ALA HB1 H 1 1.396376328 0.001588730552 . 1 . . . . . 38 ALA HB# . 53427 1 417 . 1 . 1 38 38 ALA HB2 H 1 1.396376328 0.001588730552 . 1 . . . . . 38 ALA HB# . 53427 1 418 . 1 . 1 38 38 ALA HB3 H 1 1.396376328 0.001588730552 . 1 . . . . . 38 ALA HB# . 53427 1 419 . 1 . 1 38 38 ALA C C 13 178.2996164 0.004231816492 . 1 . . . . . 38 ALA C . 53427 1 420 . 1 . 1 38 38 ALA CA C 13 53.25854938 0.1057521175 . 1 . . . . . 38 ALA CA . 53427 1 421 . 1 . 1 38 38 ALA CB C 13 19.29057585 0.006826579631 . 1 . . . . . 38 ALA CB . 53427 1 422 . 1 . 1 38 38 ALA N N 15 123.7078477 0.07559810371 . 1 . . . . . 38 ALA N . 53427 1 423 . 1 . 1 39 39 GLU H H 1 8.650738769 0.004957675083 . 1 . . . . . 39 GLU H . 53427 1 424 . 1 . 1 39 39 GLU HA H 1 4.283594504 0.003835073777 . 1 . . . . . 39 GLU HA . 53427 1 425 . 1 . 1 39 39 GLU HB2 H 1 1.981070773 0.003568036006 . 2 . . . . . 39 GLU HB2 . 53427 1 426 . 1 . 1 39 39 GLU HB3 H 1 2.061922018 0.0007497101914 . 2 . . . . . 39 GLU HB3 . 53427 1 427 . 1 . 1 39 39 GLU HG2 H 1 2.256234751 . . 2 . . . . . 39 GLU HG2 . 53427 1 428 . 1 . 1 39 39 GLU HG3 H 1 2.299634887 . . 2 . . . . . 39 GLU HG3 . 53427 1 429 . 1 . 1 39 39 GLU C C 13 177.0632076 0.003000270919 . 1 . . . . . 39 GLU C . 53427 1 430 . 1 . 1 39 39 GLU CA C 13 57.14749949 0.06753985425 . 1 . . . . . 39 GLU CA . 53427 1 431 . 1 . 1 39 39 GLU CB C 13 29.89797655 0.00678953173 . 1 . . . . . 39 GLU CB . 53427 1 432 . 1 . 1 39 39 GLU CG C 13 36.22530043 . . 1 . . . . . 39 GLU CG . 53427 1 433 . 1 . 1 39 39 GLU N N 15 119.4436441 0.06226467453 . 1 . . . . . 39 GLU N . 53427 1 434 . 1 . 1 40 40 THR H H 1 8.12235556 0.00423448265 . 1 . . . . . 40 THR H . 53427 1 435 . 1 . 1 40 40 THR HA H 1 4.308391483 0.001415641479 . 1 . . . . . 40 THR HA . 53427 1 436 . 1 . 1 40 40 THR HB H 1 4.230621214 0.002011422829 . 1 . . . . . 40 THR HB . 53427 1 437 . 1 . 1 40 40 THR HG21 H 1 1.187150478 . . 1 . . . . . 40 THR HG2# . 53427 1 438 . 1 . 1 40 40 THR HG22 H 1 1.187150478 . . 1 . . . . . 40 THR HG2# . 53427 1 439 . 1 . 1 40 40 THR HG23 H 1 1.187150478 . . 1 . . . . . 40 THR HG2# . 53427 1 440 . 1 . 1 40 40 THR C C 13 174.8442878 0.002002657027 . 1 . . . . . 40 THR C . 53427 1 441 . 1 . 1 40 40 THR CA C 13 62.19963384 0.008750203049 . 1 . . . . . 40 THR CA . 53427 1 442 . 1 . 1 40 40 THR CB C 13 69.60684904 0.002349221196 . 1 . . . . . 40 THR CB . 53427 1 443 . 1 . 1 40 40 THR CG2 C 13 21.69935226 . . 1 . . . . . 40 THR CG2 . 53427 1 444 . 1 . 1 40 40 THR N N 15 114.6516645 0.05909702566 . 1 . . . . . 40 THR N . 53427 1 445 . 1 . 1 41 41 ARG H H 1 8.313915261 0.00520571698 . 1 . . . . . 41 ARG H . 53427 1 446 . 1 . 1 41 41 ARG HA H 1 4.329644129 0.0007554725687 . 1 . . . . . 41 ARG HA . 53427 1 447 . 1 . 1 41 41 ARG HB2 H 1 1.779139176 0.000621359051 . 2 . . . . . 41 ARG HB2 . 53427 1 448 . 1 . 1 41 41 ARG HB3 H 1 1.853642348 0.002240593284 . 2 . . . . . 41 ARG HB3 . 53427 1 449 . 1 . 1 41 41 ARG HG2 H 1 1.598644647 . . 2 . . . . . 41 ARG HG2 . 53427 1 450 . 1 . 1 41 41 ARG HG3 H 1 1.648136429 . . 2 . . . . . 41 ARG HG3 . 53427 1 451 . 1 . 1 41 41 ARG HD2 H 1 3.156560898 . . 2 . . . . . 41 ARG HD2 . 53427 1 452 . 1 . 1 41 41 ARG HD3 H 1 3.170434128 . . 2 . . . . . 41 ARG HD3 . 53427 1 453 . 1 . 1 41 41 ARG C C 13 176.8977912 0.002568874325 . 1 . . . . . 41 ARG C . 53427 1 454 . 1 . 1 41 41 ARG CA C 13 56.51319078 0.03157929109 . 1 . . . . . 41 ARG CA . 53427 1 455 . 1 . 1 41 41 ARG CB C 13 30.80636015 0.08404263373 . 1 . . . . . 41 ARG CB . 53427 1 456 . 1 . 1 41 41 ARG CG C 13 27.17910665 . . 1 . . . . . 41 ARG CG . 53427 1 457 . 1 . 1 41 41 ARG CD C 13 43.33342704 . . 1 . . . . . 41 ARG CD . 53427 1 458 . 1 . 1 41 41 ARG N N 15 123.594085 0.0551889471 . 1 . . . . . 41 ARG N . 53427 1 459 . 1 . 1 42 42 GLY H H 1 8.473172858 0.004380544559 . 1 . . . . . 42 GLY H . 53427 1 460 . 1 . 1 42 42 GLY HA2 H 1 3.908995707 0.002491844459 . 2 . . . . . 42 GLY HA2 . 53427 1 461 . 1 . 1 42 42 GLY HA3 H 1 3.961880303 0.002730816055 . 2 . . . . . 42 GLY HA3 . 53427 1 462 . 1 . 1 42 42 GLY C C 13 174.0256274 0.001259114498 . 1 . . . . . 42 GLY C . 53427 1 463 . 1 . 1 42 42 GLY CA C 13 45.26792202 0.02360547796 . 1 . . . . . 42 GLY CA . 53427 1 464 . 1 . 1 42 42 GLY N N 15 110.1795594 0.04809258819 . 1 . . . . . 42 GLY N . 53427 1 465 . 1 . 1 43 43 ALA H H 1 8.245132706 0.002339691189 . 1 . . . . . 43 ALA H . 53427 1 466 . 1 . 1 43 43 ALA HA H 1 4.289825947 . . 1 . . . . . 43 ALA HA . 53427 1 467 . 1 . 1 43 43 ALA HB1 H 1 1.380231912 0.001668215119 . 1 . . . . . 43 ALA HB# . 53427 1 468 . 1 . 1 43 43 ALA HB2 H 1 1.380231912 0.001668215119 . 1 . . . . . 43 ALA HB# . 53427 1 469 . 1 . 1 43 43 ALA HB3 H 1 1.380231912 0.001668215119 . 1 . . . . . 43 ALA HB# . 53427 1 470 . 1 . 1 43 43 ALA C C 13 178.2591412 0.006636382687 . 1 . . . . . 43 ALA C . 53427 1 471 . 1 . 1 43 43 ALA CA C 13 52.86345661 0.02294600929 . 1 . . . . . 43 ALA CA . 53427 1 472 . 1 . 1 43 43 ALA CB C 13 19.24886221 0.0004194333749 . 1 . . . . . 43 ALA CB . 53427 1 473 . 1 . 1 43 43 ALA N N 15 123.7345609 0.04963068932 . 1 . . . . . 43 ALA N . 53427 1 474 . 1 . 1 44 44 GLY H H 1 8.390423691 0.005352751161 . 1 . . . . . 44 GLY H . 53427 1 475 . 1 . 1 44 44 GLY HA2 H 1 3.893163681 . . 2 . . . . . 44 GLY HA2 . 53427 1 476 . 1 . 1 44 44 GLY HA3 H 1 3.918434381 . . 2 . . . . . 44 GLY HA3 . 53427 1 477 . 1 . 1 44 44 GLY C C 13 173.5011989 0.00263103932 . 1 . . . . . 44 GLY C . 53427 1 478 . 1 . 1 44 44 GLY CA C 13 44.95723914 0.006418243276 . 1 . . . . . 44 GLY CA . 53427 1 479 . 1 . 1 44 44 GLY N N 15 107.7851185 0.07181155694 . 1 . . . . . 44 GLY N . 53427 1 480 . 1 . 1 45 45 ASP H H 1 8.138680357 0.01588909944 . 1 . . . . . 45 ASP H . 53427 1 481 . 1 . 1 45 45 ASP HA H 1 4.835693836 . . 1 . . . . . 45 ASP HA . 53427 1 482 . 1 . 1 45 45 ASP HB2 H 1 2.565300941 . . 2 . . . . . 45 ASP HB2 . 53427 1 483 . 1 . 1 45 45 ASP HB3 H 1 2.730083466 . . 2 . . . . . 45 ASP HB3 . 53427 1 484 . 1 . 1 45 45 ASP C C 13 175.1088828 0.01071449712 . 1 . . . . . 45 ASP C . 53427 1 485 . 1 . 1 45 45 ASP CA C 13 52.23458328 0.01631392888 . 1 . . . . . 45 ASP CA . 53427 1 486 . 1 . 1 45 45 ASP CB C 13 41.32689034 0.00438057207 . 1 . . . . . 45 ASP CB . 53427 1 487 . 1 . 1 45 45 ASP N N 15 121.347821 1.344022295 . 1 . . . . . 45 ASP N . 53427 1 488 . 1 . 1 46 46 PRO HA H 1 4.295220657 0.001598552583 . 1 . . . . . 46 PRO HA . 53427 1 489 . 1 . 1 46 46 PRO HB2 H 1 1.927055356 0.003873351319 . 2 . . . . . 46 PRO HB2 . 53427 1 490 . 1 . 1 46 46 PRO HB3 H 1 2.2865832 0.001910194769 . 2 . . . . . 46 PRO HB3 . 53427 1 491 . 1 . 1 46 46 PRO HG2 H 1 2.008488655 . . 1 . . . . . 46 PRO HG# . 53427 1 492 . 1 . 1 46 46 PRO HG3 H 1 2.008488655 . . 1 . . . . . 46 PRO HG# . 53427 1 493 . 1 . 1 46 46 PRO HD2 H 1 3.803978443 . . 2 . . . . . 46 PRO HD2 . 53427 1 494 . 1 . 1 46 46 PRO HD3 H 1 3.892723083 . . 2 . . . . . 46 PRO HD3 . 53427 1 495 . 1 . 1 46 46 PRO C C 13 177.24166 0.007001322945 . 1 . . . . . 46 PRO C . 53427 1 496 . 1 . 1 46 46 PRO CA C 13 63.81364314 0.02440921236 . 1 . . . . . 46 PRO CA . 53427 1 497 . 1 . 1 46 46 PRO CB C 13 32.04805603 0.0453735596 . 1 . . . . . 46 PRO CB . 53427 1 498 . 1 . 1 46 46 PRO CG C 13 27.09412003 . . 1 . . . . . 46 PRO CG . 53427 1 499 . 1 . 1 46 46 PRO CD C 13 50.9285202 . . 1 . . . . . 46 PRO CD . 53427 1 500 . 1 . 1 46 46 PRO N N 15 138.1337706 0.03175440525 . 1 . . . . . 46 PRO N . 53427 1 501 . 1 . 1 47 47 ALA H H 1 8.358202431 0.006176205386 . 1 . . . . . 47 ALA H . 53427 1 502 . 1 . 1 47 47 ALA HA H 1 4.178400357 0.0028999489 . 1 . . . . . 47 ALA HA . 53427 1 503 . 1 . 1 47 47 ALA HB1 H 1 1.324898522 0.0009727737708 . 1 . . . . . 47 ALA HB# . 53427 1 504 . 1 . 1 47 47 ALA HB2 H 1 1.324898522 0.0009727737708 . 1 . . . . . 47 ALA HB# . 53427 1 505 . 1 . 1 47 47 ALA HB3 H 1 1.324898522 0.0009727737708 . 1 . . . . . 47 ALA HB# . 53427 1 506 . 1 . 1 47 47 ALA C C 13 178.3168713 0.003792132876 . 1 . . . . . 47 ALA C . 53427 1 507 . 1 . 1 47 47 ALA CA C 13 53.03688432 0.109236918 . 1 . . . . . 47 ALA CA . 53427 1 508 . 1 . 1 47 47 ALA CB C 13 18.69622824 0.003211344152 . 1 . . . . . 47 ALA CB . 53427 1 509 . 1 . 1 47 47 ALA N N 15 122.151018 0.08649179732 . 1 . . . . . 47 ALA N . 53427 1 510 . 1 . 1 48 48 ARG H H 1 7.879199667 0.006652064408 . 1 . . . . . 48 ARG H . 53427 1 511 . 1 . 1 48 48 ARG HA H 1 4.112755336 0.0004700588944 . 1 . . . . . 48 ARG HA . 53427 1 512 . 1 . 1 48 48 ARG HB2 H 1 1.633195307 0.0003303314291 . 1 . . . . . 48 ARG HB# . 53427 1 513 . 1 . 1 48 48 ARG HB3 H 1 1.633195307 0.0003303314291 . 1 . . . . . 48 ARG HB# . 53427 1 514 . 1 . 1 48 48 ARG HG2 H 1 1.375973313 . . 1 . . . . . 48 ARG HG# . 53427 1 515 . 1 . 1 48 48 ARG HG3 H 1 1.375973313 . . 1 . . . . . 48 ARG HG# . 53427 1 516 . 1 . 1 48 48 ARG HD2 H 1 3.075619766 . . 1 . . . . . 48 ARG HD# . 53427 1 517 . 1 . 1 48 48 ARG HD3 H 1 3.075619766 . . 1 . . . . . 48 ARG HD# . 53427 1 518 . 1 . 1 48 48 ARG C C 13 176.1597717 0.0002930000408 . 1 . . . . . 48 ARG C . 53427 1 519 . 1 . 1 48 48 ARG CA C 13 56.61753529 0.000643498061 . 1 . . . . . 48 ARG CA . 53427 1 520 . 1 . 1 48 48 ARG CB C 13 30.52957965 0.06592310166 . 1 . . . . . 48 ARG CB . 53427 1 521 . 1 . 1 48 48 ARG CG C 13 26.84662021 . . 1 . . . . . 48 ARG CG . 53427 1 522 . 1 . 1 48 48 ARG CD C 13 43.32810766 . . 1 . . . . . 48 ARG CD . 53427 1 523 . 1 . 1 48 48 ARG N N 15 118.7263047 0.0448119453 . 1 . . . . . 48 ARG N . 53427 1 524 . 1 . 1 49 49 TYR H H 1 7.806578833 0.0006581347037 . 1 . . . . . 49 TYR H . 53427 1 525 . 1 . 1 49 49 TYR HA H 1 4.420128223 0.002336121659 . 1 . . . . . 49 TYR HA . 53427 1 526 . 1 . 1 49 49 TYR HB2 H 1 2.851854566 0.001226882589 . 2 . . . . . 49 TYR HB2 . 53427 1 527 . 1 . 1 49 49 TYR HB3 H 1 2.984614168 0.002997336079 . 2 . . . . . 49 TYR HB3 . 53427 1 528 . 1 . 1 49 49 TYR HD1 H 1 7.011203289 . . 3 . . . . . 49 TYR HD# . 53427 1 529 . 1 . 1 49 49 TYR HD2 H 1 7.011203289 . . 3 . . . . . 49 TYR HD# . 53427 1 530 . 1 . 1 49 49 TYR HE1 H 1 6.75558424 . . 3 . . . . . 49 TYR HE# . 53427 1 531 . 1 . 1 49 49 TYR HE2 H 1 6.75558424 . . 3 . . . . . 49 TYR HE# . 53427 1 532 . 1 . 1 49 49 TYR C C 13 175.4460854 0.001622706485 . 1 . . . . . 49 TYR C . 53427 1 533 . 1 . 1 49 49 TYR CA C 13 57.76310387 0.04081002084 . 1 . . . . . 49 TYR CA . 53427 1 534 . 1 . 1 49 49 TYR CB C 13 38.37143137 0.01501625659 . 1 . . . . . 49 TYR CB . 53427 1 535 . 1 . 1 49 49 TYR CD2 C 13 133.1172333 . . 3 . . . . . 49 TYR CD2 . 53427 1 536 . 1 . 1 49 49 TYR CE2 C 13 118.1104431 . . 3 . . . . . 49 TYR CE2 . 53427 1 537 . 1 . 1 49 49 TYR N N 15 119.423025 0.007097747865 . 1 . . . . . 49 TYR N . 53427 1 538 . 1 . 1 50 50 LEU H H 1 7.81726997 0.001752124273 . 1 . . . . . 50 LEU H . 53427 1 539 . 1 . 1 50 50 LEU HA H 1 4.288511274 0.001384199116 . 1 . . . . . 50 LEU HA . 53427 1 540 . 1 . 1 50 50 LEU HB2 H 1 1.465182549 0.001914237195 . 2 . . . . . 50 LEU HB2 . 53427 1 541 . 1 . 1 50 50 LEU HB3 H 1 1.541634043 0.001823209928 . 2 . . . . . 50 LEU HB3 . 53427 1 542 . 1 . 1 50 50 LEU HG H 1 1.418958489 . . 1 . . . . . 50 LEU HG . 53427 1 543 . 1 . 1 50 50 LEU HD11 H 1 0.7495306634 . . 2 . . . . . 50 LEU HD1# . 53427 1 544 . 1 . 1 50 50 LEU HD12 H 1 0.7495306634 . . 2 . . . . . 50 LEU HD1# . 53427 1 545 . 1 . 1 50 50 LEU HD13 H 1 0.7495306634 . . 2 . . . . . 50 LEU HD1# . 53427 1 546 . 1 . 1 50 50 LEU HD21 H 1 0.8037090453 . . 2 . . . . . 50 LEU HD2# . 53427 1 547 . 1 . 1 50 50 LEU HD22 H 1 0.8037090453 . . 2 . . . . . 50 LEU HD2# . 53427 1 548 . 1 . 1 50 50 LEU HD23 H 1 0.8037090453 . . 2 . . . . . 50 LEU HD2# . 53427 1 549 . 1 . 1 50 50 LEU C C 13 176.6821876 0.001187883192 . 1 . . . . . 50 LEU C . 53427 1 550 . 1 . 1 50 50 LEU CA C 13 54.76440126 0.00548641387 . 1 . . . . . 50 LEU CA . 53427 1 551 . 1 . 1 50 50 LEU CB C 13 42.45251248 0.01968823174 . 1 . . . . . 50 LEU CB . 53427 1 552 . 1 . 1 50 50 LEU CG C 13 26.66917665 . . 1 . . . . . 50 LEU CG . 53427 1 553 . 1 . 1 50 50 LEU CD1 C 13 23.12647653 . . 2 . . . . . 50 LEU CD1 . 53427 1 554 . 1 . 1 50 50 LEU CD2 C 13 24.93223139 . . 2 . . . . . 50 LEU CD2 . 53427 1 555 . 1 . 1 50 50 LEU N N 15 123.0894919 0.01644400555 . 1 . . . . . 50 LEU N . 53427 1 556 . 1 . 1 51 51 SER H H 1 8.080976466 0.001386977128 . 1 . . . . . 51 SER H . 53427 1 557 . 1 . 1 51 51 SER HA H 1 4.656313896 . . 1 . . . . . 51 SER HA . 53427 1 558 . 1 . 1 51 51 SER HB2 H 1 3.820771694 . . 1 . . . . . 51 SER HB# . 53427 1 559 . 1 . 1 51 51 SER HB3 H 1 3.820771694 . . 1 . . . . . 51 SER HB# . 53427 1 560 . 1 . 1 51 51 SER C C 13 172.8342996 0.006698997786 . 1 . . . . . 51 SER C . 53427 1 561 . 1 . 1 51 51 SER CA C 13 56.46352818 . . 1 . . . . . 51 SER CA . 53427 1 562 . 1 . 1 51 51 SER CB C 13 63.3258015 . . 1 . . . . . 51 SER CB . 53427 1 563 . 1 . 1 51 51 SER N N 15 117.7854613 0.017689855 . 1 . . . . . 51 SER N . 53427 1 564 . 1 . 1 52 52 PRO HA H 1 4.397455215 . . 1 . . . . . 52 PRO HA . 53427 1 565 . 1 . 1 52 52 PRO HB2 H 1 1.819480284 0.004186229494 . 2 . . . . . 52 PRO HB2 . 53427 1 566 . 1 . 1 52 52 PRO HB3 H 1 2.232934572 0.006300279908 . 2 . . . . . 52 PRO HB3 . 53427 1 567 . 1 . 1 52 52 PRO HG2 H 1 1.987382889 . . 1 . . . . . 52 PRO HG# . 53427 1 568 . 1 . 1 52 52 PRO HG3 H 1 1.987382889 . . 1 . . . . . 52 PRO HG# . 53427 1 569 . 1 . 1 52 52 PRO HD2 H 1 3.71807305 0.00481777392 . 2 . . . . . 52 PRO HD2 . 53427 1 570 . 1 . 1 52 52 PRO HD3 H 1 3.8242625 0.0005670785904 . 2 . . . . . 52 PRO HD3 . 53427 1 571 . 1 . 1 52 52 PRO C C 13 177.6243439 . . 1 . . . . . 52 PRO C . 53427 1 572 . 1 . 1 52 52 PRO CA C 13 63.79084015 . . 1 . . . . . 52 PRO CA . 53427 1 573 . 1 . 1 52 52 PRO CB C 13 31.90694687 0.01389373779 . 1 . . . . . 52 PRO CB . 53427 1 574 . 1 . 1 52 52 PRO CG C 13 27.4091835 . . 1 . . . . . 52 PRO CG . 53427 1 575 . 1 . 1 52 52 PRO CD C 13 50.69491577 . . 1 . . . . . 52 PRO CD . 53427 1 576 . 1 . 1 52 52 PRO N N 15 138.0074493 0.024945811 . 1 . . . . . 52 PRO N . 53427 1 577 . 1 . 1 53 53 GLY H H 1 8.448531581 0.001499275188 . 1 . . . . . 53 GLY H . 53427 1 578 . 1 . 1 53 53 GLY HA2 H 1 3.852732821 0.001845104104 . 2 . . . . . 53 GLY HA2 . 53427 1 579 . 1 . 1 53 53 GLY HA3 H 1 3.92444379 0.001194751291 . 2 . . . . . 53 GLY HA3 . 53427 1 580 . 1 . 1 53 53 GLY C C 13 174.2264048 0.002019311178 . 1 . . . . . 53 GLY C . 53427 1 581 . 1 . 1 53 53 GLY CA C 13 45.2685337 0.02481006183 . 1 . . . . . 53 GLY CA . 53427 1 582 . 1 . 1 53 53 GLY N N 15 109.255962 0.01065865992 . 1 . . . . . 53 GLY N . 53427 1 583 . 1 . 1 54 54 TRP H H 1 7.9778674 0.00127092084 . 1 . . . . . 54 TRP H . 53427 1 584 . 1 . 1 54 54 TRP HA H 1 4.578348418 0.003856400269 . 1 . . . . . 54 TRP HA . 53427 1 585 . 1 . 1 54 54 TRP HB2 H 1 3.299628433 0.00462276101 . 1 . . . . . 54 TRP HB# . 53427 1 586 . 1 . 1 54 54 TRP HB3 H 1 3.299628433 0.00462276101 . 1 . . . . . 54 TRP HB# . 53427 1 587 . 1 . 1 54 54 TRP HD1 H 1 7.238420486 . . 1 . . . . . 54 TRP HD1 . 53427 1 588 . 1 . 1 54 54 TRP HE1 H 1 10.12345314 . . 1 . . . . . 54 TRP HE1 . 53427 1 589 . 1 . 1 54 54 TRP HE3 H 1 7.581633091 . . 1 . . . . . 54 TRP HE3 . 53427 1 590 . 1 . 1 54 54 TRP HZ2 H 1 7.467126846 . . 1 . . . . . 54 TRP HZ2 . 53427 1 591 . 1 . 1 54 54 TRP HZ3 H 1 7.126364231 . . 1 . . . . . 54 TRP HZ3 . 53427 1 592 . 1 . 1 54 54 TRP HH2 H 1 7.209652901 . . 1 . . . . . 54 TRP HH2 . 53427 1 593 . 1 . 1 54 54 TRP C C 13 176.926026 0.003174456204 . 1 . . . . . 54 TRP C . 53427 1 594 . 1 . 1 54 54 TRP CA C 13 57.83398121 0.001330683273 . 1 . . . . . 54 TRP CA . 53427 1 595 . 1 . 1 54 54 TRP CB C 13 29.49478022 0.01582654598 . 1 . . . . . 54 TRP CB . 53427 1 596 . 1 . 1 54 54 TRP CD1 C 13 127.3520584 . . 1 . . . . . 54 TRP CD1 . 53427 1 597 . 1 . 1 54 54 TRP CE3 C 13 120.9357605 . . 1 . . . . . 54 TRP CE3 . 53427 1 598 . 1 . 1 54 54 TRP CZ2 C 13 114.5830612 . . 1 . . . . . 54 TRP CZ2 . 53427 1 599 . 1 . 1 54 54 TRP CZ3 C 13 121.9993668 . . 1 . . . . . 54 TRP CZ3 . 53427 1 600 . 1 . 1 54 54 TRP CH2 C 13 124.5808868 . . 1 . . . . . 54 TRP CH2 . 53427 1 601 . 1 . 1 54 54 TRP N N 15 121.1793935 0.02531282311 . 1 . . . . . 54 TRP N . 53427 1 602 . 1 . 1 54 54 TRP NE1 N 15 129.3755751 . . 1 . . . . . 54 TRP NE1 . 53427 1 603 . 1 . 1 55 55 GLY H H 1 8.263098228 0.001055637669 . 1 . . . . . 55 GLY H . 53427 1 604 . 1 . 1 55 55 GLY HA2 H 1 3.752821669 0.002475801321 . 2 . . . . . 55 GLY HA2 . 53427 1 605 . 1 . 1 55 55 GLY HA3 H 1 3.835240791 0.002089719682 . 2 . . . . . 55 GLY HA3 . 53427 1 606 . 1 . 1 55 55 GLY C C 13 174.0669597 0.0002858160494 . 1 . . . . . 55 GLY C . 53427 1 607 . 1 . 1 55 55 GLY CA C 13 45.38580215 0.08901438494 . 1 . . . . . 55 GLY CA . 53427 1 608 . 1 . 1 55 55 GLY N N 15 111.3541573 0.01171831669 . 1 . . . . . 55 GLY N . 53427 1 609 . 1 . 1 56 56 SER H H 1 8.069865625 0.001212922267 . 1 . . . . . 56 SER H . 53427 1 610 . 1 . 1 56 56 SER HA H 1 4.404568145 0.00403981472 . 1 . . . . . 56 SER HA . 53427 1 611 . 1 . 1 56 56 SER HB2 H 1 3.835988967 0.001179011316 . 1 . . . . . 56 SER HB# . 53427 1 612 . 1 . 1 56 56 SER HB3 H 1 3.835988967 0.001179011316 . 1 . . . . . 56 SER HB# . 53427 1 613 . 1 . 1 56 56 SER C C 13 174.3810061 0.003271254155 . 1 . . . . . 56 SER C . 53427 1 614 . 1 . 1 56 56 SER CA C 13 58.36215186 . . 1 . . . . . 56 SER CA . 53427 1 615 . 1 . 1 56 56 SER CB C 13 64.02267996 0.04699102232 . 1 . . . . . 56 SER CB . 53427 1 616 . 1 . 1 56 56 SER N N 15 115.6555016 0.02004394586 . 1 . . . . . 56 SER N . 53427 1 617 . 1 . 1 57 57 ALA H H 1 8.41493348 0.001529232713 . 1 . . . . . 57 ALA H . 53427 1 618 . 1 . 1 57 57 ALA HA H 1 4.362077324 0.0003829581821 . 1 . . . . . 57 ALA HA . 53427 1 619 . 1 . 1 57 57 ALA HB1 H 1 1.394256155 0.001297312632 . 1 . . . . . 57 ALA HB# . 53427 1 620 . 1 . 1 57 57 ALA HB2 H 1 1.394256155 0.001297312632 . 1 . . . . . 57 ALA HB# . 53427 1 621 . 1 . 1 57 57 ALA HB3 H 1 1.394256155 0.001297312632 . 1 . . . . . 57 ALA HB# . 53427 1 622 . 1 . 1 57 57 ALA C C 13 177.8017276 0.004608458231 . 1 . . . . . 57 ALA C . 53427 1 623 . 1 . 1 57 57 ALA CA C 13 52.77402652 0.1186558013 . 1 . . . . . 57 ALA CA . 53427 1 624 . 1 . 1 57 57 ALA CB C 13 19.23076426 0.006964215682 . 1 . . . . . 57 ALA CB . 53427 1 625 . 1 . 1 57 57 ALA N N 15 125.9548286 0.009260052386 . 1 . . . . . 57 ALA N . 53427 1 626 . 1 . 1 58 58 SER H H 1 8.259458362 0.0005283034952 . 1 . . . . . 58 SER H . 53427 1 627 . 1 . 1 58 58 SER HA H 1 4.400572546 0.001788370483 . 1 . . . . . 58 SER HA . 53427 1 628 . 1 . 1 58 58 SER HB2 H 1 3.815108486 0.002002529293 . 2 . . . . . 58 SER HB2 . 53427 1 629 . 1 . 1 58 58 SER HB3 H 1 3.853835123 0.001466972453 . 2 . . . . . 58 SER HB3 . 53427 1 630 . 1 . 1 58 58 SER C C 13 174.6066305 0.006635443576 . 1 . . . . . 58 SER C . 53427 1 631 . 1 . 1 58 58 SER CA C 13 58.47877952 0.0337798256 . 1 . . . . . 58 SER CA . 53427 1 632 . 1 . 1 58 58 SER CB C 13 63.84457669 0.0006855469101 . 1 . . . . . 58 SER CB . 53427 1 633 . 1 . 1 58 58 SER N N 15 114.9626677 0.008269034757 . 1 . . . . . 58 SER N . 53427 1 634 . 1 . 1 59 59 GLU H H 1 8.39226338 0.001510485107 . 1 . . . . . 59 GLU H . 53427 1 635 . 1 . 1 59 59 GLU HA H 1 4.27978133 0.002548706067 . 1 . . . . . 59 GLU HA . 53427 1 636 . 1 . 1 59 59 GLU HB2 H 1 1.90327039 0.0003074666062 . 2 . . . . . 59 GLU HB2 . 53427 1 637 . 1 . 1 59 59 GLU HB3 H 1 2.061577678 0.0003656148911 . 2 . . . . . 59 GLU HB3 . 53427 1 638 . 1 . 1 59 59 GLU HG2 H 1 2.228077888 . . 2 . . . . . 59 GLU HG2 . 53427 1 639 . 1 . 1 59 59 GLU HG3 H 1 2.250335217 . . 2 . . . . . 59 GLU HG3 . 53427 1 640 . 1 . 1 59 59 GLU C C 13 176.3055686 0.001102534954 . 1 . . . . . 59 GLU C . 53427 1 641 . 1 . 1 59 59 GLU CA C 13 56.59962291 0.03158396676 . 1 . . . . . 59 GLU CA . 53427 1 642 . 1 . 1 59 59 GLU CB C 13 30.29799406 0.01365907605 . 1 . . . . . 59 GLU CB . 53427 1 643 . 1 . 1 59 59 GLU CG C 13 36.25691605 . . 1 . . . . . 59 GLU CG . 53427 1 644 . 1 . 1 59 59 GLU N N 15 122.5078618 0.005162723641 . 1 . . . . . 59 GLU N . 53427 1 645 . 1 . 1 60 60 GLU H H 1 8.309007222 0.001466809225 . 1 . . . . . 60 GLU H . 53427 1 646 . 1 . 1 60 60 GLU HA H 1 4.236578927 0.0002437847095 . 1 . . . . . 60 GLU HA . 53427 1 647 . 1 . 1 60 60 GLU HB2 H 1 1.873346138 0.003038755191 . 2 . . . . . 60 GLU HB2 . 53427 1 648 . 1 . 1 60 60 GLU HB3 H 1 1.997726947 0.002556075064 . 2 . . . . . 60 GLU HB3 . 53427 1 649 . 1 . 1 60 60 GLU HG2 H 1 2.207033961 . . 2 . . . . . 60 GLU HG2 . 53427 1 650 . 1 . 1 60 60 GLU HG3 H 1 2.23745078 . . 2 . . . . . 60 GLU HG3 . 53427 1 651 . 1 . 1 60 60 GLU C C 13 176.1934785 0.00187974893 . 1 . . . . . 60 GLU C . 53427 1 652 . 1 . 1 60 60 GLU CA C 13 56.43934371 0.01428270428 . 1 . . . . . 60 GLU CA . 53427 1 653 . 1 . 1 60 60 GLU CB C 13 30.4636155 0.001598443683 . 1 . . . . . 60 GLU CB . 53427 1 654 . 1 . 1 60 60 GLU CG C 13 36.21644036 . . 1 . . . . . 60 GLU CG . 53427 1 655 . 1 . 1 60 60 GLU N N 15 121.3893428 0.03713042851 . 1 . . . . . 60 GLU N . 53427 1 656 . 1 . 1 61 61 GLU H H 1 8.393384375 0.001009979212 . 1 . . . . . 61 GLU H . 53427 1 657 . 1 . 1 61 61 GLU HA H 1 4.531145096 . . 1 . . . . . 61 GLU HA . 53427 1 658 . 1 . 1 61 61 GLU HB2 H 1 1.894772053 . . 2 . . . . . 61 GLU HB2 . 53427 1 659 . 1 . 1 61 61 GLU HB3 H 1 2.009549618 . . 2 . . . . . 61 GLU HB3 . 53427 1 660 . 1 . 1 61 61 GLU HG2 H 1 2.279144049 . . 1 . . . . . 61 GLU HG# . 53427 1 661 . 1 . 1 61 61 GLU HG3 H 1 2.279144049 . . 1 . . . . . 61 GLU HG# . 53427 1 662 . 1 . 1 61 61 GLU C C 13 174.6905603 0.01449435967 . 1 . . . . . 61 GLU C . 53427 1 663 . 1 . 1 61 61 GLU CA C 13 54.49053717 0.03172063808 . 1 . . . . . 61 GLU CA . 53427 1 664 . 1 . 1 61 61 GLU CB C 13 29.75951626 0.07809307417 . 1 . . . . . 61 GLU CB . 53427 1 665 . 1 . 1 61 61 GLU CG C 13 35.90700912 . . 1 . . . . . 61 GLU CG . 53427 1 666 . 1 . 1 61 61 GLU N N 15 123.5472631 0.003742279505 . 1 . . . . . 61 GLU N . 53427 1 667 . 1 . 1 62 62 PRO HA H 1 4.411727656 0.002192036567 . 1 . . . . . 62 PRO HA . 53427 1 668 . 1 . 1 62 62 PRO HB2 H 1 1.893151803 0.003685126181 . 2 . . . . . 62 PRO HB2 . 53427 1 669 . 1 . 1 62 62 PRO HB3 H 1 2.277228554 0.002076069395 . 2 . . . . . 62 PRO HB3 . 53427 1 670 . 1 . 1 62 62 PRO HG2 H 1 1.991332462 . . 1 . . . . . 62 PRO HG# . 53427 1 671 . 1 . 1 62 62 PRO HG3 H 1 1.991332462 . . 1 . . . . . 62 PRO HG# . 53427 1 672 . 1 . 1 62 62 PRO HD2 H 1 3.663724755 . . 2 . . . . . 62 PRO HD2 . 53427 1 673 . 1 . 1 62 62 PRO HD3 H 1 3.786752511 . . 2 . . . . . 62 PRO HD3 . 53427 1 674 . 1 . 1 62 62 PRO C C 13 177.1647971 0.005423388455 . 1 . . . . . 62 PRO C . 53427 1 675 . 1 . 1 62 62 PRO CA C 13 63.54300584 0.00572029691 . 1 . . . . . 62 PRO CA . 53427 1 676 . 1 . 1 62 62 PRO CB C 13 32.0781509 0.01785194585 . 1 . . . . . 62 PRO CB . 53427 1 677 . 1 . 1 62 62 PRO CG C 13 27.37564821 . . 1 . . . . . 62 PRO CG . 53427 1 678 . 1 . 1 62 62 PRO CD C 13 50.71799659 . . 1 . . . . . 62 PRO CD . 53427 1 679 . 1 . 1 62 62 PRO N N 15 137.6991144 0.0014103202 . 1 . . . . . 62 PRO N . 53427 1 680 . 1 . 1 63 63 SER H H 1 8.43602064 0.001916911316 . 1 . . . . . 63 SER H . 53427 1 681 . 1 . 1 63 63 SER HA H 1 4.363976168 0.0002333394409 . 1 . . . . . 63 SER HA . 53427 1 682 . 1 . 1 63 63 SER HB2 H 1 3.847959908 0.0009711665068 . 2 . . . . . 63 SER HB2 . 53427 1 683 . 1 . 1 63 63 SER HB3 H 1 3.893918795 0.001709657527 . 2 . . . . . 63 SER HB3 . 53427 1 684 . 1 . 1 63 63 SER C C 13 174.9718817 0.00239201519 . 1 . . . . . 63 SER C . 53427 1 685 . 1 . 1 63 63 SER CA C 13 58.71832613 0.07934232495 . 1 . . . . . 63 SER CA . 53427 1 686 . 1 . 1 63 63 SER CB C 13 63.6590519 0.0713596344 . 1 . . . . . 63 SER CB . 53427 1 687 . 1 . 1 63 63 SER N N 15 115.6575413 0.01174802673 . 1 . . . . . 63 SER N . 53427 1 688 . 1 . 1 64 64 ARG H H 1 8.356320326 0.00350685115 . 1 . . . . . 64 ARG H . 53427 1 689 . 1 . 1 64 64 ARG HA H 1 4.336507559 0.001181840897 . 1 . . . . . 64 ARG HA . 53427 1 690 . 1 . 1 64 64 ARG HB2 H 1 1.754938066 0.001515090466 . 2 . . . . . 64 ARG HB2 . 53427 1 691 . 1 . 1 64 64 ARG HB3 H 1 1.873771071 0.00294983387 . 2 . . . . . 64 ARG HB3 . 53427 1 692 . 1 . 1 64 64 ARG HG2 H 1 1.616730452 . . 2 . . . . . 64 ARG HG2 . 53427 1 693 . 1 . 1 64 64 ARG HG3 H 1 1.634416819 . . 2 . . . . . 64 ARG HG3 . 53427 1 694 . 1 . 1 64 64 ARG HD2 H 1 3.171366692 . . 1 . . . . . 64 ARG HD# . 53427 1 695 . 1 . 1 64 64 ARG HD3 H 1 3.171366692 . . 1 . . . . . 64 ARG HD# . 53427 1 696 . 1 . 1 64 64 ARG C C 13 176.8228461 0.005339902767 . 1 . . . . . 64 ARG C . 53427 1 697 . 1 . 1 64 64 ARG CA C 13 56.4089616 0.00324565719 . 1 . . . . . 64 ARG CA . 53427 1 698 . 1 . 1 64 64 ARG CB C 13 30.62909326 0.04949197355 . 1 . . . . . 64 ARG CB . 53427 1 699 . 1 . 1 64 64 ARG CG C 13 27.08958626 . . 1 . . . . . 64 ARG CG . 53427 1 700 . 1 . 1 64 64 ARG CD C 13 43.35660553 . . 1 . . . . . 64 ARG CD . 53427 1 701 . 1 . 1 64 64 ARG N N 15 123.0416145 0.04059776389 . 1 . . . . . 64 ARG N . 53427 1 702 . 1 . 1 65 65 GLY H H 1 8.365886383 0.001982841214 . 1 . . . . . 65 GLY H . 53427 1 703 . 1 . 1 65 65 GLY HA2 H 1 3.908457671 0.002125824762 . 1 . . . . . 65 GLY HA# . 53427 1 704 . 1 . 1 65 65 GLY HA3 H 1 3.908457671 0.002125824762 . 1 . . . . . 65 GLY HA# . 53427 1 705 . 1 . 1 65 65 GLY C C 13 173.8858816 0.0041941265 . 1 . . . . . 65 GLY C . 53427 1 706 . 1 . 1 65 65 GLY CA C 13 45.24065325 0.007488989803 . 1 . . . . . 65 GLY CA . 53427 1 707 . 1 . 1 65 65 GLY N N 15 109.4228506 0.01057430917 . 1 . . . . . 65 GLY N . 53427 1 708 . 1 . 1 66 66 HIS H H 1 8.286353326 0.005528501111 . 1 . . . . . 66 HIS H . 53427 1 709 . 1 . 1 66 66 HIS HA H 1 4.696896315 0.008785009384 . 1 . . . . . 66 HIS HA . 53427 1 710 . 1 . 1 66 66 HIS HB2 H 1 3.102199197 0.005930542946 . 2 . . . . . 66 HIS HB2 . 53427 1 711 . 1 . 1 66 66 HIS HB3 H 1 3.190387964 0.007684469223 . 2 . . . . . 66 HIS HB3 . 53427 1 712 . 1 . 1 66 66 HIS HD2 H 1 7.102352142 . . 1 . . . . . 66 HIS HD2 . 53427 1 713 . 1 . 1 66 66 HIS HE1 H 1 8.111782074 . . 1 . . . . . 66 HIS HE1 . 53427 1 714 . 1 . 1 66 66 HIS C C 13 175.3334292 0.01718726839 . 1 . . . . . 66 HIS C . 53427 1 715 . 1 . 1 66 66 HIS CA C 13 55.91487122 0 . 1 . . . . . 66 HIS CA . 53427 1 716 . 1 . 1 66 66 HIS CB C 13 30.27461692 0.150175772 . 1 . . . . . 66 HIS CB . 53427 1 717 . 1 . 1 66 66 HIS CD2 C 13 119.9631729 . . 1 . . . . . 66 HIS CD2 . 53427 1 718 . 1 . 1 66 66 HIS CE1 C 13 137.6134186 . . 1 . . . . . 66 HIS CE1 . 53427 1 719 . 1 . 1 66 66 HIS N N 15 119.1347277 0.01576672585 . 1 . . . . . 66 HIS N . 53427 1 720 . 1 . 1 67 67 SER H H 1 8.445236826 0.003084391662 . 1 . . . . . 67 SER H . 53427 1 721 . 1 . 1 67 67 SER HA H 1 4.454824686 0.004015684128 . 1 . . . . . 67 SER HA . 53427 1 722 . 1 . 1 67 67 SER HB2 H 1 3.862674713 . . 2 . . . . . 67 SER HB2 . 53427 1 723 . 1 . 1 67 67 SER HB3 H 1 3.875981331 . . 2 . . . . . 67 SER HB3 . 53427 1 724 . 1 . 1 67 67 SER C C 13 174.9600067 . . 1 . . . . . 67 SER C . 53427 1 725 . 1 . 1 67 67 SER CA C 13 58.61493026 0.06822098558 . 1 . . . . . 67 SER CA . 53427 1 726 . 1 . 1 67 67 SER CB C 13 63.85198762 0.003122108034 . 1 . . . . . 67 SER CB . 53427 1 727 . 1 . 1 67 67 SER N N 15 117.5096618 0.01287685262 . 1 . . . . . 67 SER N . 53427 1 728 . 1 . 1 68 68 GLY H H 1 8.543325882 0.002479219595 . 1 . . . . . 68 GLY H . 53427 1 729 . 1 . 1 68 68 GLY HA2 H 1 4.035064707 0.003345951374 . 1 . . . . . 68 GLY HA# . 53427 1 730 . 1 . 1 68 68 GLY HA3 H 1 4.035064707 0.003345951374 . 1 . . . . . 68 GLY HA# . 53427 1 731 . 1 . 1 68 68 GLY C C 13 174.3465084 0.0005527231751 . 1 . . . . . 68 GLY C . 53427 1 732 . 1 . 1 68 68 GLY CA C 13 45.40855557 0.07680369314 . 1 . . . . . 68 GLY CA . 53427 1 733 . 1 . 1 68 68 GLY N N 15 111.0853654 0.08072078094 . 1 . . . . . 68 GLY N . 53427 1 734 . 1 . 1 69 69 THR H H 1 8.154781564 0.002055821676 . 1 . . . . . 69 THR H . 53427 1 735 . 1 . 1 69 69 THR HA H 1 4.451726654 0.0006920340471 . 1 . . . . . 69 THR HA . 53427 1 736 . 1 . 1 69 69 THR HB H 1 4.249199968 0.003627131799 . 1 . . . . . 69 THR HB . 53427 1 737 . 1 . 1 69 69 THR HG21 H 1 1.195080674 . . 1 . . . . . 69 THR HG2# . 53427 1 738 . 1 . 1 69 69 THR HG22 H 1 1.195080674 . . 1 . . . . . 69 THR HG2# . 53427 1 739 . 1 . 1 69 69 THR HG23 H 1 1.195080674 . . 1 . . . . . 69 THR HG2# . 53427 1 740 . 1 . 1 69 69 THR C C 13 174.9029027 0.002553806629 . 1 . . . . . 69 THR C . 53427 1 741 . 1 . 1 69 69 THR CA C 13 61.7697518 0.1102351097 . 1 . . . . . 69 THR CA . 53427 1 742 . 1 . 1 69 69 THR CB C 13 69.98075898 0.06355898101 . 1 . . . . . 69 THR CB . 53427 1 743 . 1 . 1 69 69 THR CG2 C 13 21.44518436 . . 1 . . . . . 69 THR CG2 . 53427 1 744 . 1 . 1 69 69 THR N N 15 113.6749244 0.0123234021 . 1 . . . . . 69 THR N . 53427 1 745 . 1 . 1 70 70 THR H H 1 8.264382729 0.0007819123411 . 1 . . . . . 70 THR H . 53427 1 746 . 1 . 1 70 70 THR HA H 1 4.353190321 0.004898558425 . 1 . . . . . 70 THR HA . 53427 1 747 . 1 . 1 70 70 THR HB H 1 4.221738847 0.0003612331272 . 1 . . . . . 70 THR HB . 53427 1 748 . 1 . 1 70 70 THR HG21 H 1 1.198177922 . . 1 . . . . . 70 THR HG2# . 53427 1 749 . 1 . 1 70 70 THR HG22 H 1 1.198177922 . . 1 . . . . . 70 THR HG2# . 53427 1 750 . 1 . 1 70 70 THR HG23 H 1 1.198177922 . . 1 . . . . . 70 THR HG2# . 53427 1 751 . 1 . 1 70 70 THR C C 13 174.3585709 0.004161082024 . 1 . . . . . 70 THR C . 53427 1 752 . 1 . 1 70 70 THR CA C 13 61.86231897 0.056345998 . 1 . . . . . 70 THR CA . 53427 1 753 . 1 . 1 70 70 THR CB C 13 69.96282019 0.05557414186 . 1 . . . . . 70 THR CB . 53427 1 754 . 1 . 1 70 70 THR CG2 C 13 21.65320394 . . 1 . . . . . 70 THR CG2 . 53427 1 755 . 1 . 1 70 70 THR N N 15 116.6851314 0.01075764302 . 1 . . . . . 70 THR N . 53427 1 756 . 1 . 1 71 71 ALA H H 1 8.43970911 0.0007967452639 . 1 . . . . . 71 ALA H . 53427 1 757 . 1 . 1 71 71 ALA HA H 1 4.352414067 0.003450934607 . 1 . . . . . 71 ALA HA . 53427 1 758 . 1 . 1 71 71 ALA HB1 H 1 1.388107744 0.00005463 . 1 . . . . . 71 ALA HB# . 53427 1 759 . 1 . 1 71 71 ALA HB2 H 1 1.388107744 0.00005463 . 1 . . . . . 71 ALA HB# . 53427 1 760 . 1 . 1 71 71 ALA HB3 H 1 1.388107744 0.00005463 . 1 . . . . . 71 ALA HB# . 53427 1 761 . 1 . 1 71 71 ALA C C 13 177.7872737 0.0009883268861 . 1 . . . . . 71 ALA C . 53427 1 762 . 1 . 1 71 71 ALA CA C 13 52.65294664 0.009254285227 . 1 . . . . . 71 ALA CA . 53427 1 763 . 1 . 1 71 71 ALA CB C 13 19.24094301 0.0144624114 . 1 . . . . . 71 ALA CB . 53427 1 764 . 1 . 1 71 71 ALA N N 15 126.9674608 0.00791143428 . 1 . . . . . 71 ALA N . 53427 1 765 . 1 . 1 72 72 SER H H 1 8.389636061 0.001226076248 . 1 . . . . . 72 SER H . 53427 1 766 . 1 . 1 72 72 SER HA H 1 4.452754498 0.001037597656 . 1 . . . . . 72 SER HA . 53427 1 767 . 1 . 1 72 72 SER HB2 H 1 3.850008845 0.001935601234 . 2 . . . . . 72 SER HB2 . 53427 1 768 . 1 . 1 72 72 SER HB3 H 1 3.901232004 0.003958940506 . 2 . . . . . 72 SER HB3 . 53427 1 769 . 1 . 1 72 72 SER C C 13 175.1643882 0.001627393177 . 1 . . . . . 72 SER C . 53427 1 770 . 1 . 1 72 72 SER CA C 13 58.48160574 0.008277683486 . 1 . . . . . 72 SER CA . 53427 1 771 . 1 . 1 72 72 SER CB C 13 63.95500674 0.03094372589 . 1 . . . . . 72 SER CB . 53427 1 772 . 1 . 1 72 72 SER N N 15 115.4793183 0.003447869655 . 1 . . . . . 72 SER N . 53427 1 773 . 1 . 1 73 73 GLY H H 1 8.505550138 0.001500822008 . 1 . . . . . 73 GLY H . 53427 1 774 . 1 . 1 73 73 GLY HA2 H 1 4.00538516 0.003143548965 . 1 . . . . . 73 GLY HA# . 53427 1 775 . 1 . 1 73 73 GLY HA3 H 1 4.00538516 0.003143548965 . 1 . . . . . 73 GLY HA# . 53427 1 776 . 1 . 1 73 73 GLY C C 13 174.725413 0.01376849558 . 1 . . . . . 73 GLY C . 53427 1 777 . 1 . 1 73 73 GLY CA C 13 45.51066434 0.01635897416 . 1 . . . . . 73 GLY CA . 53427 1 778 . 1 . 1 73 73 GLY N N 15 111.1948677 0.008985136696 . 1 . . . . . 73 GLY N . 53427 1 779 . 1 . 1 74 74 GLY H H 1 8.330996498 0.002916529871 . 1 . . . . . 74 GLY H . 53427 1 780 . 1 . 1 74 74 GLY HA2 H 1 3.941909847 0.001244601851 . 2 . . . . . 74 GLY HA2 . 53427 1 781 . 1 . 1 74 74 GLY HA3 H 1 3.994725196 0.001114399804 . 2 . . . . . 74 GLY HA3 . 53427 1 782 . 1 . 1 74 74 GLY C C 13 174.4436909 0.0015910329 . 1 . . . . . 74 GLY C . 53427 1 783 . 1 . 1 74 74 GLY CA C 13 45.24975749 0.004171651759 . 1 . . . . . 74 GLY CA . 53427 1 784 . 1 . 1 74 74 GLY N N 15 108.906076 0.02963736661 . 1 . . . . . 74 GLY N . 53427 1 785 . 1 . 1 75 75 GLU H H 1 8.544379423 0.0009411634109 . 1 . . . . . 75 GLU H . 53427 1 786 . 1 . 1 75 75 GLU HA H 1 4.243028163 0.002032711567 . 1 . . . . . 75 GLU HA . 53427 1 787 . 1 . 1 75 75 GLU HB2 H 1 1.925862967 0.003428553035 . 2 . . . . . 75 GLU HB2 . 53427 1 788 . 1 . 1 75 75 GLU HB3 H 1 2.039459044 0.001607922767 . 2 . . . . . 75 GLU HB3 . 53427 1 789 . 1 . 1 75 75 GLU HG2 H 1 2.257781866 . . 1 . . . . . 75 GLU HG# . 53427 1 790 . 1 . 1 75 75 GLU HG3 H 1 2.257781866 . . 1 . . . . . 75 GLU HG# . 53427 1 791 . 1 . 1 75 75 GLU C C 13 176.5326976 0.001111876285 . 1 . . . . . 75 GLU C . 53427 1 792 . 1 . 1 75 75 GLU CA C 13 57.04363706 0.03113385936 . 1 . . . . . 75 GLU CA . 53427 1 793 . 1 . 1 75 75 GLU CB C 13 30.03953598 0.08222026998 . 1 . . . . . 75 GLU CB . 53427 1 794 . 1 . 1 75 75 GLU CG C 13 36.20548845 . . 1 . . . . . 75 GLU CG . 53427 1 795 . 1 . 1 75 75 GLU N N 15 120.635222 0.0134353832 . 1 . . . . . 75 GLU N . 53427 1 796 . 1 . 1 76 76 ASN H H 1 8.530837851 0.0006866122174 . 1 . . . . . 76 ASN H . 53427 1 797 . 1 . 1 76 76 ASN HA H 1 4.681044688 0.001775288335 . 1 . . . . . 76 ASN HA . 53427 1 798 . 1 . 1 76 76 ASN HB2 H 1 2.717477982 0.003147797032 . 2 . . . . . 76 ASN HB2 . 53427 1 799 . 1 . 1 76 76 ASN HB3 H 1 2.832423403 0.0009306118504 . 2 . . . . . 76 ASN HB3 . 53427 1 800 . 1 . 1 76 76 ASN HD21 H 1 7.627028942 . . 2 . . . . . 76 ASN HD21 . 53427 1 801 . 1 . 1 76 76 ASN HD22 H 1 6.938944817 . . 2 . . . . . 76 ASN HD22 . 53427 1 802 . 1 . 1 76 76 ASN C C 13 175.1673018 0.0009046785994 . 1 . . . . . 76 ASN C . 53427 1 803 . 1 . 1 76 76 ASN CA C 13 53.58116561 0.1321002934 . 1 . . . . . 76 ASN CA . 53427 1 804 . 1 . 1 76 76 ASN CB C 13 38.95216322 0.01031837854 . 1 . . . . . 76 ASN CB . 53427 1 805 . 1 . 1 76 76 ASN CG C 13 177.1714478 . . 1 . . . . . 76 ASN CG . 53427 1 806 . 1 . 1 76 76 ASN N N 15 118.8894524 0.007697496332 . 1 . . . . . 76 ASN N . 53427 1 807 . 1 . 1 76 76 ASN ND2 N 15 113.3645808 0.004902803951 . 1 . . . . . 76 ASN ND2 . 53427 1 808 . 1 . 1 77 77 GLU H H 1 8.344552006 0.0007274071629 . 1 . . . . . 77 GLU H . 53427 1 809 . 1 . 1 77 77 GLU HA H 1 4.258613586 . . 1 . . . . . 77 GLU HA . 53427 1 810 . 1 . 1 77 77 GLU HB2 H 1 1.962841815 0.06249090898 . 2 . . . . . 77 GLU HB2 . 53427 1 811 . 1 . 1 77 77 GLU HB3 H 1 2.051609516 . . 2 . . . . . 77 GLU HB3 . 53427 1 812 . 1 . 1 77 77 GLU HG2 H 1 2.228789806 . . 2 . . . . . 77 GLU HG2 . 53427 1 813 . 1 . 1 77 77 GLU HG3 H 1 2.253135204 . . 2 . . . . . 77 GLU HG3 . 53427 1 814 . 1 . 1 77 77 GLU C C 13 176.3529262 0.000295565196 . 1 . . . . . 77 GLU C . 53427 1 815 . 1 . 1 77 77 GLU CA C 13 56.77136915 0.01039964839 . 1 . . . . . 77 GLU CA . 53427 1 816 . 1 . 1 77 77 GLU CB C 13 30.15981504 0.02468088146 . 1 . . . . . 77 GLU CB . 53427 1 817 . 1 . 1 77 77 GLU CG C 13 36.21808243 . . 1 . . . . . 77 GLU CG . 53427 1 818 . 1 . 1 77 77 GLU N N 15 121.1551915 0.006192264545 . 1 . . . . . 77 GLU N . 53427 1 819 . 1 . 1 78 78 ARG H H 1 8.2953201 0.002000426818 . 1 . . . . . 78 ARG H . 53427 1 820 . 1 . 1 78 78 ARG HA H 1 4.328599501 0.0007433408331 . 1 . . . . . 78 ARG HA . 53427 1 821 . 1 . 1 78 78 ARG HB2 H 1 1.763262256 0.000035866 . 2 . . . . . 78 ARG HB2 . 53427 1 822 . 1 . 1 78 78 ARG HB3 H 1 1.87173161 0.002828507414 . 2 . . . . . 78 ARG HB3 . 53427 1 823 . 1 . 1 78 78 ARG HG2 H 1 1.610142469 . . 2 . . . . . 78 ARG HG2 . 53427 1 824 . 1 . 1 78 78 ARG HG3 H 1 1.628698111 . . 2 . . . . . 78 ARG HG3 . 53427 1 825 . 1 . 1 78 78 ARG HD2 H 1 3.194329023 . . 1 . . . . . 78 ARG HD# . 53427 1 826 . 1 . 1 78 78 ARG HD3 H 1 3.194329023 . . 1 . . . . . 78 ARG HD# . 53427 1 827 . 1 . 1 78 78 ARG C C 13 176.3142471 0.004615783691 . 1 . . . . . 78 ARG C . 53427 1 828 . 1 . 1 78 78 ARG CA C 13 56.03699112 0.006767272949 . 1 . . . . . 78 ARG CA . 53427 1 829 . 1 . 1 78 78 ARG CB C 13 30.92389679 0.06948280334 . 1 . . . . . 78 ARG CB . 53427 1 830 . 1 . 1 78 78 ARG CG C 13 27.04912567 . . 1 . . . . . 78 ARG CG . 53427 1 831 . 1 . 1 78 78 ARG CD C 13 43.34568024 . . 1 . . . . . 78 ARG CD . 53427 1 832 . 1 . 1 78 78 ARG N N 15 121.5794388 0.115609513 . 1 . . . . . 78 ARG N . 53427 1 833 . 1 . 1 79 79 GLU H H 1 8.52763804 0.00075887983 . 1 . . . . . 79 GLU H . 53427 1 834 . 1 . 1 79 79 GLU HA H 1 4.264902299 0.004472435232 . 1 . . . . . 79 GLU HA . 53427 1 835 . 1 . 1 79 79 GLU HB2 H 1 1.909097281 0.003013332786 . 2 . . . . . 79 GLU HB2 . 53427 1 836 . 1 . 1 79 79 GLU HB3 H 1 2.033724576 0.003311553912 . 2 . . . . . 79 GLU HB3 . 53427 1 837 . 1 . 1 79 79 GLU HG2 H 1 2.221476355 . . 2 . . . . . 79 GLU HG2 . 53427 1 838 . 1 . 1 79 79 GLU HG3 H 1 2.261103734 . . 2 . . . . . 79 GLU HG3 . 53427 1 839 . 1 . 1 79 79 GLU C C 13 176.0954298 0.001066760498 . 1 . . . . . 79 GLU C . 53427 1 840 . 1 . 1 79 79 GLU CA C 13 56.73319712 0.00291829826 . 1 . . . . . 79 GLU CA . 53427 1 841 . 1 . 1 79 79 GLU CB C 13 30.45826685 0.01866304209 . 1 . . . . . 79 GLU CB . 53427 1 842 . 1 . 1 79 79 GLU CG C 13 36.26455697 . . 1 . . . . . 79 GLU CG . 53427 1 843 . 1 . 1 79 79 GLU N N 15 122.3379188 0.004588805323 . 1 . . . . . 79 GLU N . 53427 1 844 . 1 . 1 80 80 ASP H H 1 8.467501475 0.0006201335761 . 1 . . . . . 80 ASP H . 53427 1 845 . 1 . 1 80 80 ASP HA H 1 4.592728255 0.001635725425 . 1 . . . . . 80 ASP HA . 53427 1 846 . 1 . 1 80 80 ASP HB2 H 1 2.600787704 0.0006024108003 . 2 . . . . . 80 ASP HB2 . 53427 1 847 . 1 . 1 80 80 ASP HB3 H 1 2.688659606 0.001072685906 . 2 . . . . . 80 ASP HB3 . 53427 1 848 . 1 . 1 80 80 ASP C C 13 175.9988002 0.0004826308186 . 1 . . . . . 80 ASP C . 53427 1 849 . 1 . 1 80 80 ASP CA C 13 54.13094407 0.123442016 . 1 . . . . . 80 ASP CA . 53427 1 850 . 1 . 1 80 80 ASP CB C 13 40.88246987 0.01067185273 . 1 . . . . . 80 ASP CB . 53427 1 851 . 1 . 1 80 80 ASP N N 15 121.1380136 0.00279784998 . 1 . . . . . 80 ASP N . 53427 1 852 . 1 . 1 81 81 LEU H H 1 8.112238776 0.0006980061624 . 1 . . . . . 81 LEU H . 53427 1 853 . 1 . 1 81 81 LEU HA H 1 4.33229661 0.00284743309 . 1 . . . . . 81 LEU HA . 53427 1 854 . 1 . 1 81 81 LEU HB2 H 1 1.586673081 0.003329694271 . 2 . . . . . 81 LEU HB2 . 53427 1 855 . 1 . 1 81 81 LEU HB3 H 1 1.641186774 0.001831233501 . 2 . . . . . 81 LEU HB3 . 53427 1 856 . 1 . 1 81 81 LEU HG H 1 1.603832424 0.002424418926 . 1 . . . . . 81 LEU HG . 53427 1 857 . 1 . 1 81 81 LEU HD11 H 1 0.846 . . 2 . . . . . 81 LEU HD1# . 53427 1 858 . 1 . 1 81 81 LEU HD12 H 1 0.846 . . 2 . . . . . 81 LEU HD1# . 53427 1 859 . 1 . 1 81 81 LEU HD13 H 1 0.846 . . 2 . . . . . 81 LEU HD1# . 53427 1 860 . 1 . 1 81 81 LEU HD21 H 1 0.912 . . 2 . . . . . 81 LEU HD2# . 53427 1 861 . 1 . 1 81 81 LEU HD22 H 1 0.912 . . 2 . . . . . 81 LEU HD2# . 53427 1 862 . 1 . 1 81 81 LEU HD23 H 1 0.912 . . 2 . . . . . 81 LEU HD2# . 53427 1 863 . 1 . 1 81 81 LEU C C 13 177.3807589 0.00179420992 . 1 . . . . . 81 LEU C . 53427 1 864 . 1 . 1 81 81 LEU CA C 13 55.10624062 0.04470418431 . 1 . . . . . 81 LEU CA . 53427 1 865 . 1 . 1 81 81 LEU CB C 13 42.52960151 0.0199514082 . 1 . . . . . 81 LEU CB . 53427 1 866 . 1 . 1 81 81 LEU CG C 13 26.95708275 0.04291725159 . 1 . . . . . 81 LEU CG . 53427 1 867 . 1 . 1 81 81 LEU CD1 C 13 23.32343674 . . 2 . . . . . 81 LEU CD1 . 53427 1 868 . 1 . 1 81 81 LEU CD2 C 13 24.9981823 . . 2 . . . . . 81 LEU CD2 . 53427 1 869 . 1 . 1 81 81 LEU N N 15 122.1769528 0.002902156145 . 1 . . . . . 81 LEU N . 53427 1 870 . 1 . 1 82 82 GLU H H 1 8.37877585 0.00110703747 . 1 . . . . . 82 GLU H . 53427 1 871 . 1 . 1 82 82 GLU HA H 1 4.270382761 0.001366195236 . 1 . . . . . 82 GLU HA . 53427 1 872 . 1 . 1 82 82 GLU HB2 H 1 1.935811077 0.0004206573318 . 2 . . . . . 82 GLU HB2 . 53427 1 873 . 1 . 1 82 82 GLU HB3 H 1 2.065671546 0.001693090313 . 2 . . . . . 82 GLU HB3 . 53427 1 874 . 1 . 1 82 82 GLU HG2 H 1 2.226619053 . . 2 . . . . . 82 GLU HG2 . 53427 1 875 . 1 . 1 82 82 GLU HG3 H 1 2.281372289 . . 2 . . . . . 82 GLU HG3 . 53427 1 876 . 1 . 1 82 82 GLU C C 13 175.5936694 0.003108454584 . 1 . . . . . 82 GLU C . 53427 1 877 . 1 . 1 82 82 GLU CA C 13 56.68330086 0.0143916957 . 1 . . . . . 82 GLU CA . 53427 1 878 . 1 . 1 82 82 GLU CB C 13 30.15323222 0.02566373199 . 1 . . . . . 82 GLU CB . 53427 1 879 . 1 . 1 82 82 GLU CG C 13 36.29821438 . . 1 . . . . . 82 GLU CG . 53427 1 880 . 1 . 1 82 82 GLU N N 15 122.0328341 0.01493718744 . 1 . . . . . 82 GLU N . 53427 1 881 . 1 . 1 83 83 GLN H H 1 7.969626329 0.0007767240276 . 1 . . . . . 83 GLN H . 53427 1 882 . 1 . 1 83 83 GLN HA H 1 4.149925709 . . 1 . . . . . 83 GLN HA . 53427 1 883 . 1 . 1 83 83 GLN HB2 H 1 1.894457102 0.00266623497 . 2 . . . . . 83 GLN HB2 . 53427 1 884 . 1 . 1 83 83 GLN HB3 H 1 2.098588824 0.001056313515 . 2 . . . . . 83 GLN HB3 . 53427 1 885 . 1 . 1 83 83 GLN HG2 H 1 2.276427269 0.007622990252 . 1 . . . . . 83 GLN HG# . 53427 1 886 . 1 . 1 83 83 GLN HG3 H 1 2.276427269 0.007622990252 . 1 . . . . . 83 GLN HG# . 53427 1 887 . 1 . 1 83 83 GLN HE21 H 1 6.830902219 0.002654336567 . 2 . . . . . 83 GLN HE21 . 53427 1 888 . 1 . 1 83 83 GLN HE22 H 1 7.568802834 0.0006966003378 . 2 . . . . . 83 GLN HE22 . 53427 1 889 . 1 . 1 83 83 GLN C C 13 176.2641666 . . 1 . . . . . 83 GLN C . 53427 1 890 . 1 . 1 83 83 GLN CA C 13 57.28532893 . . 1 . . . . . 83 GLN CA . 53427 1 891 . 1 . 1 83 83 GLN CB C 13 30.41734392 . . 1 . . . . . 83 GLN CB . 53427 1 892 . 1 . 1 83 83 GLN CG C 13 34.77727005 . . 1 . . . . . 83 GLN CG . 53427 1 893 . 1 . 1 83 83 GLN CD C 13 181.2608032 . . 1 . . . . . 83 GLN CD . 53427 1 894 . 1 . 1 83 83 GLN N N 15 126.4626825 0.005272228525 . 1 . . . . . 83 GLN N . 53427 1 895 . 1 . 1 83 83 GLN NE2 N 15 112.6970647 0.005746362041 . 1 . . . . . 83 GLN NE2 . 53427 1 stop_ save_