data_51353 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51353 _Entry.Title ; Backbone NMR assignment of the human TRPV1 ion channel N-terminal intrinsically disordered region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-09 _Entry.Accession_date 2022-03-09 _Entry.Last_release_date 2022-03-09 _Entry.Original_release_date 2022-03-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Benedikt Goretzki . . . . 51353 2 Christoph Wiedemann . . . . 51353 3 Ute Hellmich . A. . . 51353 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51353 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 280 51353 '15N chemical shifts' 84 51353 '1H chemical shifts' 319 51353 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-10-21 2022-03-09 update BMRB 'update entry citation' 51353 1 . . 2022-06-06 2022-03-09 original author 'original release' 51353 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51354 'human TRPV2 ion channel N-terminal intrinsically disordered region' 51353 BMRB 51355 'human TRPV3 ion channel N-terminal intrinsically disordered region' 51353 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51353 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35666427 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Extent of intrinsic disorder and NMR chemical shift assignments of the distal N-termini from human TRPV1, TRPV2 and TRPV3 ion channels ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 289 _Citation.Page_last 296 _Citation.Year 2022 _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 Christoph Wiedemann . . . . 51353 1 2 Benedikt Goretzki . . . . 51353 1 3 Zoe Merz . N. . . 51353 1 4 Frederike Tebbe . . . . 51353 1 5 Pauline Schmitt . . . . 51353 1 6 Ute Hellmich . A. . . 51353 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51353 _Assembly.ID 1 _Assembly.Name hsTRPV1-IDR _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _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 hsTRPV1-IDR 1 $entity_1 . . yes native no no . . . 51353 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51353 _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 ; KKWSSTDLGAAADPLQKDTC PDPLDGDPNSRPPPAKPQLS TAKSRTRLFGKGDSEEAFPV DCPHEEGELDSCPTITVSPV ITIQRPGDGPTGARLLSQD ; _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 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q8NER1-1 . 'Transient receptor potential cation channel subfamily V member 1' . . . . . . . . . . . . . . 51353 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 LYS . 51353 1 2 3 LYS . 51353 1 3 4 TRP . 51353 1 4 5 SER . 51353 1 5 6 SER . 51353 1 6 7 THR . 51353 1 7 8 ASP . 51353 1 8 9 LEU . 51353 1 9 10 GLY . 51353 1 10 11 ALA . 51353 1 11 12 ALA . 51353 1 12 13 ALA . 51353 1 13 14 ASP . 51353 1 14 15 PRO . 51353 1 15 16 LEU . 51353 1 16 17 GLN . 51353 1 17 18 LYS . 51353 1 18 19 ASP . 51353 1 19 20 THR . 51353 1 20 21 CYS . 51353 1 21 22 PRO . 51353 1 22 23 ASP . 51353 1 23 24 PRO . 51353 1 24 25 LEU . 51353 1 25 26 ASP . 51353 1 26 27 GLY . 51353 1 27 28 ASP . 51353 1 28 29 PRO . 51353 1 29 30 ASN . 51353 1 30 31 SER . 51353 1 31 32 ARG . 51353 1 32 33 PRO . 51353 1 33 34 PRO . 51353 1 34 35 PRO . 51353 1 35 36 ALA . 51353 1 36 37 LYS . 51353 1 37 38 PRO . 51353 1 38 39 GLN . 51353 1 39 40 LEU . 51353 1 40 41 SER . 51353 1 41 42 THR . 51353 1 42 43 ALA . 51353 1 43 44 LYS . 51353 1 44 45 SER . 51353 1 45 46 ARG . 51353 1 46 47 THR . 51353 1 47 48 ARG . 51353 1 48 49 LEU . 51353 1 49 50 PHE . 51353 1 50 51 GLY . 51353 1 51 52 LYS . 51353 1 52 53 GLY . 51353 1 53 54 ASP . 51353 1 54 55 SER . 51353 1 55 56 GLU . 51353 1 56 57 GLU . 51353 1 57 58 ALA . 51353 1 58 59 PHE . 51353 1 59 60 PRO . 51353 1 60 61 VAL . 51353 1 61 62 ASP . 51353 1 62 63 CYS . 51353 1 63 64 PRO . 51353 1 64 65 HIS . 51353 1 65 66 GLU . 51353 1 66 67 GLU . 51353 1 67 68 GLY . 51353 1 68 69 GLU . 51353 1 69 70 LEU . 51353 1 70 71 ASP . 51353 1 71 72 SER . 51353 1 72 73 CYS . 51353 1 73 74 PRO . 51353 1 74 75 THR . 51353 1 75 76 ILE . 51353 1 76 77 THR . 51353 1 77 78 VAL . 51353 1 78 79 SER . 51353 1 79 80 PRO . 51353 1 80 81 VAL . 51353 1 81 82 ILE . 51353 1 82 83 THR . 51353 1 83 84 ILE . 51353 1 84 85 GLN . 51353 1 85 86 ARG . 51353 1 86 87 PRO . 51353 1 87 88 GLY . 51353 1 88 89 ASP . 51353 1 89 90 GLY . 51353 1 90 91 PRO . 51353 1 91 92 THR . 51353 1 92 93 GLY . 51353 1 93 94 ALA . 51353 1 94 95 ARG . 51353 1 95 96 LEU . 51353 1 96 97 LEU . 51353 1 97 98 SER . 51353 1 98 99 GLN . 51353 1 99 100 ASP . 51353 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 . LYS 1 1 51353 1 . LYS 2 2 51353 1 . TRP 3 3 51353 1 . SER 4 4 51353 1 . SER 5 5 51353 1 . THR 6 6 51353 1 . ASP 7 7 51353 1 . LEU 8 8 51353 1 . GLY 9 9 51353 1 . ALA 10 10 51353 1 . ALA 11 11 51353 1 . ALA 12 12 51353 1 . ASP 13 13 51353 1 . PRO 14 14 51353 1 . LEU 15 15 51353 1 . GLN 16 16 51353 1 . LYS 17 17 51353 1 . ASP 18 18 51353 1 . THR 19 19 51353 1 . CYS 20 20 51353 1 . PRO 21 21 51353 1 . ASP 22 22 51353 1 . PRO 23 23 51353 1 . LEU 24 24 51353 1 . ASP 25 25 51353 1 . GLY 26 26 51353 1 . ASP 27 27 51353 1 . PRO 28 28 51353 1 . ASN 29 29 51353 1 . SER 30 30 51353 1 . ARG 31 31 51353 1 . PRO 32 32 51353 1 . PRO 33 33 51353 1 . PRO 34 34 51353 1 . ALA 35 35 51353 1 . LYS 36 36 51353 1 . PRO 37 37 51353 1 . GLN 38 38 51353 1 . LEU 39 39 51353 1 . SER 40 40 51353 1 . THR 41 41 51353 1 . ALA 42 42 51353 1 . LYS 43 43 51353 1 . SER 44 44 51353 1 . ARG 45 45 51353 1 . THR 46 46 51353 1 . ARG 47 47 51353 1 . LEU 48 48 51353 1 . PHE 49 49 51353 1 . GLY 50 50 51353 1 . LYS 51 51 51353 1 . GLY 52 52 51353 1 . ASP 53 53 51353 1 . SER 54 54 51353 1 . GLU 55 55 51353 1 . GLU 56 56 51353 1 . ALA 57 57 51353 1 . PHE 58 58 51353 1 . PRO 59 59 51353 1 . VAL 60 60 51353 1 . ASP 61 61 51353 1 . CYS 62 62 51353 1 . PRO 63 63 51353 1 . HIS 64 64 51353 1 . GLU 65 65 51353 1 . GLU 66 66 51353 1 . GLY 67 67 51353 1 . GLU 68 68 51353 1 . LEU 69 69 51353 1 . ASP 70 70 51353 1 . SER 71 71 51353 1 . CYS 72 72 51353 1 . PRO 73 73 51353 1 . THR 74 74 51353 1 . ILE 75 75 51353 1 . THR 76 76 51353 1 . VAL 77 77 51353 1 . SER 78 78 51353 1 . PRO 79 79 51353 1 . VAL 80 80 51353 1 . ILE 81 81 51353 1 . THR 82 82 51353 1 . ILE 83 83 51353 1 . GLN 84 84 51353 1 . ARG 85 85 51353 1 . PRO 86 86 51353 1 . GLY 87 87 51353 1 . ASP 88 88 51353 1 . GLY 89 89 51353 1 . PRO 90 90 51353 1 . THR 91 91 51353 1 . GLY 92 92 51353 1 . ALA 93 93 51353 1 . ARG 94 94 51353 1 . LEU 95 95 51353 1 . LEU 96 96 51353 1 . SER 97 97 51353 1 . GLN 98 98 51353 1 . ASP 99 99 51353 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 51353 _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 . . . . . . . . . . . . . 51353 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 51353 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 51353 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51353 _Sample.ID 1 _Sample.Name hsTRPV1-IDR _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hsTRPV1-IDR '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 300 . . uM . . . . 51353 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 51353 1 3 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 51353 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 51353 1 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 51353 1 6 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51353 1 7 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 51353 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 51353 _Sample_condition_list.ID 1 _Sample_condition_list.Name hsTRPV1-IDR _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' 0.11 . M 51353 1 pH 7 . pH 51353 1 pressure 1 . atm 51353 1 temperature 298 . K 51353 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51353 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51353 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51353 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51353 2 processing . 51353 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51353 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51353 3 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 51353 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III HD 600' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51353 _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 TROSY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51353 1 2 '3D HNCO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51353 1 3 '3D HN(CA)CO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51353 1 4 '3D HNCA' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51353 1 5 '3D HNCACB' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51353 1 6 '3D HBHA(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51353 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 51353 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name hsTRPV1-IDR _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51353 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51353 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51353 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 51353 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name hsTRPV1-IDR _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 TROSY' . . . 51353 1 2 '3D HNCO' . . . 51353 1 3 '3D HN(CA)CO' . . . 51353 1 4 '3D HNCA' . . . 51353 1 5 '3D HNCACB' . . . 51353 1 6 '3D HBHA(CO)NH' . . . 51353 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51353 1 2 $software_2 . . 51353 1 3 $software_3 . . 51353 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 LYS HA H 1 4.356 0.000 . 1 . . . . . 3 LYS HA . 51353 1 2 . 1 . 1 2 2 LYS HB2 H 1 1.715 0.000 . 1 . . . . . 3 LYS HB2 . 51353 1 3 . 1 . 1 2 2 LYS HB3 H 1 1.715 0.000 . 1 . . . . . 3 LYS HB3 . 51353 1 4 . 1 . 1 2 2 LYS C C 13 175.850 0.000 . 1 . . . . . 3 LYS C . 51353 1 5 . 1 . 1 2 2 LYS CA C 13 56.330 0.000 . 1 . . . . . 3 LYS CA . 51353 1 6 . 1 . 1 2 2 LYS CB C 13 33.261 0.000 . 1 . . . . . 3 LYS CB . 51353 1 7 . 1 . 1 3 3 TRP H H 1 8.503 0.000 . 1 . . . . . 4 TRP H . 51353 1 8 . 1 . 1 3 3 TRP HA H 1 4.624 0.000 . 1 . . . . . 4 TRP HA . 51353 1 9 . 1 . 1 3 3 TRP HB2 H 1 3.255 0.000 . 1 . . . . . 4 TRP HB2 . 51353 1 10 . 1 . 1 3 3 TRP HB3 H 1 3.255 0.000 . 1 . . . . . 4 TRP HB3 . 51353 1 11 . 1 . 1 3 3 TRP HE1 H 1 10.133 0.000 . 1 . . . . . 4 TRP HE1 . 51353 1 12 . 1 . 1 3 3 TRP C C 13 175.960 0.000 . 1 . . . . . 4 TRP C . 51353 1 13 . 1 . 1 3 3 TRP CA C 13 57.707 0.000 . 1 . . . . . 4 TRP CA . 51353 1 14 . 1 . 1 3 3 TRP CB C 13 29.822 0.000 . 1 . . . . . 4 TRP CB . 51353 1 15 . 1 . 1 3 3 TRP N N 15 124.276 0.000 . 1 . . . . . 4 TRP N . 51353 1 16 . 1 . 1 3 3 TRP NE1 N 15 129.544 0.000 . 1 . . . . . 4 TRP NE1 . 51353 1 17 . 1 . 1 4 4 SER H H 1 8.092 0.000 . 1 . . . . . 5 SER H . 51353 1 18 . 1 . 1 4 4 SER HA H 1 4.425 0.000 . 1 . . . . . 5 SER HA . 51353 1 19 . 1 . 1 4 4 SER HB2 H 1 3.697 0.000 . 2 . . . . . 5 SER HB2 . 51353 1 20 . 1 . 1 4 4 SER HB3 H 1 3.781 0.000 . 2 . . . . . 5 SER HB3 . 51353 1 21 . 1 . 1 4 4 SER C C 13 174.186 0.000 . 1 . . . . . 5 SER C . 51353 1 22 . 1 . 1 4 4 SER CA C 13 57.561 0.000 . 1 . . . . . 5 SER CA . 51353 1 23 . 1 . 1 4 4 SER CB C 13 64.370 0.000 . 1 . . . . . 5 SER CB . 51353 1 24 . 1 . 1 4 4 SER N N 15 118.197 0.000 . 1 . . . . . 5 SER N . 51353 1 25 . 1 . 1 5 5 SER H H 1 8.368 0.000 . 1 . . . . . 6 SER H . 51353 1 26 . 1 . 1 5 5 SER HA H 1 4.295 0.000 . 1 . . . . . 6 SER HA . 51353 1 27 . 1 . 1 5 5 SER HB2 H 1 3.858 0.000 . 2 . . . . . 6 SER HB2 . 51353 1 28 . 1 . 1 5 5 SER HB3 H 1 3.916 0.000 . 2 . . . . . 6 SER HB3 . 51353 1 29 . 1 . 1 5 5 SER C C 13 175.109 0.000 . 1 . . . . . 6 SER C . 51353 1 30 . 1 . 1 5 5 SER CA C 13 59.033 0.000 . 1 . . . . . 6 SER CA . 51353 1 31 . 1 . 1 5 5 SER CB C 13 63.533 0.000 . 1 . . . . . 6 SER CB . 51353 1 32 . 1 . 1 5 5 SER N N 15 117.940 0.000 . 1 . . . . . 6 SER N . 51353 1 33 . 1 . 1 6 6 THR H H 1 8.002 0.000 . 1 . . . . . 7 THR H . 51353 1 34 . 1 . 1 6 6 THR HA H 1 4.277 0.000 . 1 . . . . . 7 THR HA . 51353 1 35 . 1 . 1 6 6 THR HB H 1 4.250 0.000 . 1 . . . . . 7 THR HB . 51353 1 36 . 1 . 1 6 6 THR C C 13 174.473 0.000 . 1 . . . . . 7 THR C . 51353 1 37 . 1 . 1 6 6 THR CA C 13 62.099 0.000 . 1 . . . . . 7 THR CA . 51353 1 38 . 1 . 1 6 6 THR CB C 13 69.346 0.000 . 1 . . . . . 7 THR CB . 51353 1 39 . 1 . 1 6 6 THR N N 15 114.176 0.000 . 1 . . . . . 7 THR N . 51353 1 40 . 1 . 1 7 7 ASP H H 1 8.085 0.000 . 1 . . . . . 8 ASP H . 51353 1 41 . 1 . 1 7 7 ASP HA H 1 4.593 0.000 . 1 . . . . . 8 ASP HA . 51353 1 42 . 1 . 1 7 7 ASP HB2 H 1 2.593 0.000 . 2 . . . . . 8 ASP HB2 . 51353 1 43 . 1 . 1 7 7 ASP HB3 H 1 2.716 0.000 . 2 . . . . . 8 ASP HB3 . 51353 1 44 . 1 . 1 7 7 ASP C C 13 176.331 0.000 . 1 . . . . . 8 ASP C . 51353 1 45 . 1 . 1 7 7 ASP CA C 13 54.444 0.000 . 1 . . . . . 8 ASP CA . 51353 1 46 . 1 . 1 7 7 ASP CB C 13 40.963 0.000 . 1 . . . . . 8 ASP CB . 51353 1 47 . 1 . 1 7 7 ASP N N 15 122.712 0.000 . 1 . . . . . 8 ASP N . 51353 1 48 . 1 . 1 8 8 LEU H H 1 8.210 0.000 . 1 . . . . . 9 LEU H . 51353 1 49 . 1 . 1 8 8 LEU HA H 1 4.272 0.000 . 1 . . . . . 9 LEU HA . 51353 1 50 . 1 . 1 8 8 LEU HB2 H 1 1.627 0.000 . 1 . . . . . 9 LEU HB2 . 51353 1 51 . 1 . 1 8 8 LEU HB3 H 1 1.627 0.000 . 1 . . . . . 9 LEU HB3 . 51353 1 52 . 1 . 1 8 8 LEU C C 13 178.191 0.000 . 1 . . . . . 9 LEU C . 51353 1 53 . 1 . 1 8 8 LEU CA C 13 55.604 0.000 . 1 . . . . . 9 LEU CA . 51353 1 54 . 1 . 1 8 8 LEU CB C 13 42.076 0.000 . 1 . . . . . 9 LEU CB . 51353 1 55 . 1 . 1 8 8 LEU N N 15 122.772 0.000 . 1 . . . . . 9 LEU N . 51353 1 56 . 1 . 1 9 9 GLY H H 1 8.377 0.000 . 1 . . . . . 10 GLY H . 51353 1 57 . 1 . 1 9 9 GLY HA2 H 1 3.891 0.000 . 1 . . . . . 10 GLY HA2 . 51353 1 58 . 1 . 1 9 9 GLY HA3 H 1 3.891 0.000 . 1 . . . . . 10 GLY HA3 . 51353 1 59 . 1 . 1 9 9 GLY C C 13 174.126 0.000 . 1 . . . . . 10 GLY C . 51353 1 60 . 1 . 1 9 9 GLY CA C 13 45.388 0.000 . 1 . . . . . 10 GLY CA . 51353 1 61 . 1 . 1 9 9 GLY N N 15 109.118 0.000 . 1 . . . . . 10 GLY N . 51353 1 62 . 1 . 1 10 10 ALA H H 1 8.015 0.000 . 1 . . . . . 11 ALA H . 51353 1 63 . 1 . 1 10 10 ALA HA H 1 4.277 0.000 . 1 . . . . . 11 ALA HA . 51353 1 64 . 1 . 1 10 10 ALA HB1 H 1 1.358 0.000 . 1 . . . . . 11 ALA HB1 . 51353 1 65 . 1 . 1 10 10 ALA HB2 H 1 1.358 0.000 . 1 . . . . . 11 ALA HB2 . 51353 1 66 . 1 . 1 10 10 ALA HB3 H 1 1.358 0.000 . 1 . . . . . 11 ALA HB3 . 51353 1 67 . 1 . 1 10 10 ALA C C 13 177.540 0.000 . 1 . . . . . 11 ALA C . 51353 1 68 . 1 . 1 10 10 ALA CA C 13 52.439 0.000 . 1 . . . . . 11 ALA CA . 51353 1 69 . 1 . 1 10 10 ALA CB C 13 19.280 0.000 . 1 . . . . . 11 ALA CB . 51353 1 70 . 1 . 1 10 10 ALA N N 15 123.820 0.000 . 1 . . . . . 11 ALA N . 51353 1 71 . 1 . 1 11 11 ALA H H 1 8.155 0.000 . 1 . . . . . 12 ALA H . 51353 1 72 . 1 . 1 11 11 ALA HA H 1 4.277 0.000 . 1 . . . . . 12 ALA HA . 51353 1 73 . 1 . 1 11 11 ALA HB1 H 1 1.358 0.000 . 1 . . . . . 12 ALA HB1 . 51353 1 74 . 1 . 1 11 11 ALA HB2 H 1 1.358 0.000 . 1 . . . . . 12 ALA HB2 . 51353 1 75 . 1 . 1 11 11 ALA HB3 H 1 1.358 0.000 . 1 . . . . . 12 ALA HB3 . 51353 1 76 . 1 . 1 11 11 ALA C C 13 177.270 0.000 . 1 . . . . . 12 ALA C . 51353 1 77 . 1 . 1 11 11 ALA CA C 13 52.362 0.000 . 1 . . . . . 12 ALA CA . 51353 1 78 . 1 . 1 11 11 ALA CB C 13 19.147 0.000 . 1 . . . . . 12 ALA CB . 51353 1 79 . 1 . 1 11 11 ALA N N 15 122.751 0.000 . 1 . . . . . 12 ALA N . 51353 1 80 . 1 . 1 12 12 ALA H H 1 8.074 0.000 . 1 . . . . . 13 ALA H . 51353 1 81 . 1 . 1 12 12 ALA HA H 1 4.252 0.000 . 1 . . . . . 13 ALA HA . 51353 1 82 . 1 . 1 12 12 ALA HB1 H 1 1.325 0.000 . 1 . . . . . 13 ALA HB1 . 51353 1 83 . 1 . 1 12 12 ALA HB2 H 1 1.325 0.000 . 1 . . . . . 13 ALA HB2 . 51353 1 84 . 1 . 1 12 12 ALA HB3 H 1 1.325 0.000 . 1 . . . . . 13 ALA HB3 . 51353 1 85 . 1 . 1 12 12 ALA C C 13 177.150 0.000 . 1 . . . . . 13 ALA C . 51353 1 86 . 1 . 1 12 12 ALA CA C 13 52.187 0.000 . 1 . . . . . 13 ALA CA . 51353 1 87 . 1 . 1 12 12 ALA CB C 13 19.337 0.000 . 1 . . . . . 13 ALA CB . 51353 1 88 . 1 . 1 12 12 ALA N N 15 122.806 0.000 . 1 . . . . . 13 ALA N . 51353 1 89 . 1 . 1 13 13 ASP H H 1 8.200 0.000 . 1 . . . . . 14 ASP H . 51353 1 90 . 1 . 1 13 13 ASP C C 13 175.085 0.000 . 1 . . . . . 14 ASP C . 51353 1 91 . 1 . 1 13 13 ASP CA C 13 52.053 0.000 . 1 . . . . . 14 ASP CA . 51353 1 92 . 1 . 1 13 13 ASP CB C 13 41.181 0.000 . 1 . . . . . 14 ASP CB . 51353 1 93 . 1 . 1 13 13 ASP N N 15 120.954 0.000 . 1 . . . . . 14 ASP N . 51353 1 94 . 1 . 1 14 14 PRO HA H 1 4.388 0.000 . 1 . . . . . 15 PRO HA . 51353 1 95 . 1 . 1 14 14 PRO HB2 H 1 1.898 0.000 . 2 . . . . . 15 PRO HB2 . 51353 1 96 . 1 . 1 14 14 PRO HB3 H 1 2.294 0.000 . 2 . . . . . 15 PRO HB3 . 51353 1 97 . 1 . 1 14 14 PRO C C 13 177.283 0.000 . 1 . . . . . 15 PRO C . 51353 1 98 . 1 . 1 14 14 PRO CA C 13 63.736 0.000 . 1 . . . . . 15 PRO CA . 51353 1 99 . 1 . 1 14 14 PRO CB C 13 32.165 0.000 . 1 . . . . . 15 PRO CB . 51353 1 100 . 1 . 1 15 15 LEU H H 1 8.303 0.000 . 1 . . . . . 16 LEU H . 51353 1 101 . 1 . 1 15 15 LEU HA H 1 4.283 0.000 . 1 . . . . . 16 LEU HA . 51353 1 102 . 1 . 1 15 15 LEU HB2 H 1 1.560 0.000 . 2 . . . . . 16 LEU HB2 . 51353 1 103 . 1 . 1 15 15 LEU HB3 H 1 1.737 0.000 . 2 . . . . . 16 LEU HB3 . 51353 1 104 . 1 . 1 15 15 LEU C C 13 177.661 0.000 . 1 . . . . . 16 LEU C . 51353 1 105 . 1 . 1 15 15 LEU CA C 13 55.230 0.000 . 1 . . . . . 16 LEU CA . 51353 1 106 . 1 . 1 15 15 LEU CB C 13 41.688 0.000 . 1 . . . . . 16 LEU CB . 51353 1 107 . 1 . 1 15 15 LEU N N 15 120.054 0.000 . 1 . . . . . 16 LEU N . 51353 1 108 . 1 . 1 16 16 GLN H H 1 7.992 0.000 . 1 . . . . . 17 GLN H . 51353 1 109 . 1 . 1 16 16 GLN HA H 1 4.270 0.000 . 1 . . . . . 17 GLN HA . 51353 1 110 . 1 . 1 16 16 GLN HB2 H 1 1.979 0.000 . 2 . . . . . 17 GLN HB2 . 51353 1 111 . 1 . 1 16 16 GLN HB3 H 1 2.124 0.000 . 2 . . . . . 17 GLN HB3 . 51353 1 112 . 1 . 1 16 16 GLN C C 13 175.829 0.000 . 1 . . . . . 17 GLN C . 51353 1 113 . 1 . 1 16 16 GLN CA C 13 55.780 0.000 . 1 . . . . . 17 GLN CA . 51353 1 114 . 1 . 1 16 16 GLN CB C 13 29.120 0.000 . 1 . . . . . 17 GLN CB . 51353 1 115 . 1 . 1 16 16 GLN N N 15 120.278 0.000 . 1 . . . . . 17 GLN N . 51353 1 116 . 1 . 1 17 17 LYS H H 1 8.243 0.000 . 1 . . . . . 18 LYS H . 51353 1 117 . 1 . 1 17 17 LYS HA H 1 4.394 0.000 . 1 . . . . . 18 LYS HA . 51353 1 118 . 1 . 1 17 17 LYS HB2 H 1 1.776 0.000 . 1 . . . . . 18 LYS HB2 . 51353 1 119 . 1 . 1 17 17 LYS HB3 H 1 1.776 0.000 . 1 . . . . . 18 LYS HB3 . 51353 1 120 . 1 . 1 17 17 LYS C C 13 176.331 0.000 . 1 . . . . . 18 LYS C . 51353 1 121 . 1 . 1 17 17 LYS CA C 13 56.434 0.000 . 1 . . . . . 18 LYS CA . 51353 1 122 . 1 . 1 17 17 LYS CB C 13 33.136 0.000 . 1 . . . . . 18 LYS CB . 51353 1 123 . 1 . 1 17 17 LYS N N 15 122.567 0.000 . 1 . . . . . 18 LYS N . 51353 1 124 . 1 . 1 18 18 ASP H H 1 8.434 0.000 . 1 . . . . . 19 ASP H . 51353 1 125 . 1 . 1 18 18 ASP HA H 1 4.646 0.000 . 1 . . . . . 19 ASP HA . 51353 1 126 . 1 . 1 18 18 ASP HB2 H 1 2.637 0.000 . 2 . . . . . 19 ASP HB2 . 51353 1 127 . 1 . 1 18 18 ASP HB3 H 1 2.743 0.000 . 2 . . . . . 19 ASP HB3 . 51353 1 128 . 1 . 1 18 18 ASP C C 13 176.285 0.000 . 1 . . . . . 19 ASP C . 51353 1 129 . 1 . 1 18 18 ASP CA C 13 54.360 0.000 . 1 . . . . . 19 ASP CA . 51353 1 130 . 1 . 1 18 18 ASP CB C 13 40.786 0.000 . 1 . . . . . 19 ASP CB . 51353 1 131 . 1 . 1 18 18 ASP N N 15 121.080 0.000 . 1 . . . . . 19 ASP N . 51353 1 132 . 1 . 1 19 19 THR H H 1 8.061 0.000 . 1 . . . . . 20 THR H . 51353 1 133 . 1 . 1 19 19 THR HA H 1 4.368 0.000 . 1 . . . . . 20 THR HA . 51353 1 134 . 1 . 1 19 19 THR HB H 1 4.228 0.000 . 1 . . . . . 20 THR HB . 51353 1 135 . 1 . 1 19 19 THR C C 13 174.256 0.000 . 1 . . . . . 20 THR C . 51353 1 136 . 1 . 1 19 19 THR CA C 13 61.780 0.000 . 1 . . . . . 20 THR CA . 51353 1 137 . 1 . 1 19 19 THR CB C 13 69.791 0.000 . 1 . . . . . 20 THR CB . 51353 1 138 . 1 . 1 19 19 THR N N 15 113.759 0.000 . 1 . . . . . 20 THR N . 51353 1 139 . 1 . 1 20 20 CYS H H 1 8.392 0.000 . 1 . . . . . 21 CYS H . 51353 1 140 . 1 . 1 20 20 CYS C C 13 172.555 0.000 . 1 . . . . . 21 CYS C . 51353 1 141 . 1 . 1 20 20 CYS CA C 13 56.401 0.000 . 1 . . . . . 21 CYS CA . 51353 1 142 . 1 . 1 20 20 CYS CB C 13 27.555 0.000 . 1 . . . . . 21 CYS CB . 51353 1 143 . 1 . 1 20 20 CYS N N 15 123.140 0.000 . 1 . . . . . 21 CYS N . 51353 1 144 . 1 . 1 21 21 PRO HA H 1 4.411 0.000 . 1 . . . . . 22 PRO HA . 51353 1 145 . 1 . 1 21 21 PRO HB2 H 1 1.885 0.000 . 2 . . . . . 22 PRO HB2 . 51353 1 146 . 1 . 1 21 21 PRO HB3 H 1 2.260 0.000 . 2 . . . . . 22 PRO HB3 . 51353 1 147 . 1 . 1 21 21 PRO C C 13 176.215 0.000 . 1 . . . . . 22 PRO C . 51353 1 148 . 1 . 1 21 21 PRO CA C 13 63.141 0.000 . 1 . . . . . 22 PRO CA . 51353 1 149 . 1 . 1 21 21 PRO CB C 13 32.186 0.000 . 1 . . . . . 22 PRO CB . 51353 1 150 . 1 . 1 22 22 ASP H H 1 8.372 0.000 . 1 . . . . . 23 ASP H . 51353 1 151 . 1 . 1 22 22 ASP C C 13 174.796 0.000 . 1 . . . . . 23 ASP C . 51353 1 152 . 1 . 1 22 22 ASP CA C 13 52.142 0.000 . 1 . . . . . 23 ASP CA . 51353 1 153 . 1 . 1 22 22 ASP CB C 13 40.919 0.000 . 1 . . . . . 23 ASP CB . 51353 1 154 . 1 . 1 22 22 ASP N N 15 121.993 0.000 . 1 . . . . . 23 ASP N . 51353 1 155 . 1 . 1 23 23 PRO HA H 1 4.374 0.000 . 1 . . . . . 24 PRO HA . 51353 1 156 . 1 . 1 23 23 PRO HB2 H 1 1.930 0.000 . 2 . . . . . 24 PRO HB2 . 51353 1 157 . 1 . 1 23 23 PRO HB3 H 1 2.284 0.000 . 2 . . . . . 24 PRO HB3 . 51353 1 158 . 1 . 1 23 23 PRO C C 13 177.339 0.000 . 1 . . . . . 24 PRO C . 51353 1 159 . 1 . 1 23 23 PRO CA C 13 63.626 0.000 . 1 . . . . . 24 PRO CA . 51353 1 160 . 1 . 1 23 23 PRO CB C 13 32.200 0.000 . 1 . . . . . 24 PRO CB . 51353 1 161 . 1 . 1 24 24 LEU H H 1 8.418 0.000 . 1 . . . . . 25 LEU H . 51353 1 162 . 1 . 1 24 24 LEU HA H 1 4.277 0.000 . 1 . . . . . 25 LEU HA . 51353 1 163 . 1 . 1 24 24 LEU HB2 H 1 1.566 0.000 . 2 . . . . . 25 LEU HB2 . 51353 1 164 . 1 . 1 24 24 LEU HB3 H 1 1.688 0.000 . 2 . . . . . 25 LEU HB3 . 51353 1 165 . 1 . 1 24 24 LEU C C 13 177.494 0.000 . 1 . . . . . 25 LEU C . 51353 1 166 . 1 . 1 24 24 LEU CA C 13 55.292 0.000 . 1 . . . . . 25 LEU CA . 51353 1 167 . 1 . 1 24 24 LEU CB C 13 41.807 0.000 . 1 . . . . . 25 LEU CB . 51353 1 168 . 1 . 1 24 24 LEU N N 15 121.003 0.000 . 1 . . . . . 25 LEU N . 51353 1 169 . 1 . 1 25 25 ASP H H 1 8.099 0.000 . 1 . . . . . 26 ASP H . 51353 1 170 . 1 . 1 25 25 ASP HA H 1 4.574 0.000 . 1 . . . . . 26 ASP HA . 51353 1 171 . 1 . 1 25 25 ASP HB2 H 1 2.681 0.000 . 1 . . . . . 26 ASP HB2 . 51353 1 172 . 1 . 1 25 25 ASP HB3 H 1 2.681 0.000 . 1 . . . . . 26 ASP HB3 . 51353 1 173 . 1 . 1 25 25 ASP C C 13 176.465 0.000 . 1 . . . . . 26 ASP C . 51353 1 174 . 1 . 1 25 25 ASP CA C 13 54.329 0.000 . 1 . . . . . 26 ASP CA . 51353 1 175 . 1 . 1 25 25 ASP CB C 13 40.786 0.000 . 1 . . . . . 26 ASP CB . 51353 1 176 . 1 . 1 25 25 ASP N N 15 120.095 0.000 . 1 . . . . . 26 ASP N . 51353 1 177 . 1 . 1 26 26 GLY H H 1 8.139 0.000 . 1 . . . . . 27 GLY H . 51353 1 178 . 1 . 1 26 26 GLY HA2 H 1 3.905 0.000 . 1 . . . . . 27 GLY HA2 . 51353 1 179 . 1 . 1 26 26 GLY HA3 H 1 3.905 0.000 . 1 . . . . . 27 GLY HA3 . 51353 1 180 . 1 . 1 26 26 GLY C C 13 173.490 0.000 . 1 . . . . . 27 GLY C . 51353 1 181 . 1 . 1 26 26 GLY CA C 13 45.130 0.000 . 1 . . . . . 27 GLY CA . 51353 1 182 . 1 . 1 26 26 GLY N N 15 108.789 0.000 . 1 . . . . . 27 GLY N . 51353 1 183 . 1 . 1 27 27 ASP H H 1 8.191 0.000 . 1 . . . . . 28 ASP H . 51353 1 184 . 1 . 1 27 27 ASP C C 13 175.513 0.000 . 1 . . . . . 28 ASP C . 51353 1 185 . 1 . 1 27 27 ASP CA C 13 51.740 0.000 . 1 . . . . . 28 ASP CA . 51353 1 186 . 1 . 1 27 27 ASP CB C 13 41.452 0.000 . 1 . . . . . 28 ASP CB . 51353 1 187 . 1 . 1 27 27 ASP N N 15 121.381 0.000 . 1 . . . . . 28 ASP N . 51353 1 188 . 1 . 1 28 28 PRO HA H 1 4.372 0.000 . 1 . . . . . 29 PRO HA . 51353 1 189 . 1 . 1 28 28 PRO HB2 H 1 1.953 0.000 . 2 . . . . . 29 PRO HB2 . 51353 1 190 . 1 . 1 28 28 PRO HB3 H 1 2.297 0.000 . 2 . . . . . 29 PRO HB3 . 51353 1 191 . 1 . 1 28 28 PRO C C 13 177.438 0.000 . 1 . . . . . 29 PRO C . 51353 1 192 . 1 . 1 28 28 PRO CA C 13 64.167 0.000 . 1 . . . . . 29 PRO CA . 51353 1 193 . 1 . 1 28 28 PRO CB C 13 32.079 0.000 . 1 . . . . . 29 PRO CB . 51353 1 194 . 1 . 1 29 29 ASN H H 1 8.519 0.000 . 1 . . . . . 30 ASN H . 51353 1 195 . 1 . 1 29 29 ASN HA H 1 4.702 0.000 . 1 . . . . . 30 ASN HA . 51353 1 196 . 1 . 1 29 29 ASN HB2 H 1 2.792 0.000 . 2 . . . . . 30 ASN HB2 . 51353 1 197 . 1 . 1 29 29 ASN HB3 H 1 2.851 0.000 . 2 . . . . . 30 ASN HB3 . 51353 1 198 . 1 . 1 29 29 ASN C C 13 175.464 0.000 . 1 . . . . . 30 ASN C . 51353 1 199 . 1 . 1 29 29 ASN CA C 13 53.720 0.000 . 1 . . . . . 30 ASN CA . 51353 1 200 . 1 . 1 29 29 ASN CB C 13 38.789 0.000 . 1 . . . . . 30 ASN CB . 51353 1 201 . 1 . 1 29 29 ASN N N 15 116.470 0.000 . 1 . . . . . 30 ASN N . 51353 1 202 . 1 . 1 30 30 SER H H 1 7.887 0.000 . 1 . . . . . 31 SER H . 51353 1 203 . 1 . 1 30 30 SER HA H 1 4.426 0.000 . 1 . . . . . 31 SER HA . 51353 1 204 . 1 . 1 30 30 SER HB2 H 1 3.888 0.000 . 1 . . . . . 31 SER HB2 . 51353 1 205 . 1 . 1 30 30 SER HB3 H 1 3.888 0.000 . 1 . . . . . 31 SER HB3 . 51353 1 206 . 1 . 1 30 30 SER C C 13 173.946 0.000 . 1 . . . . . 31 SER C . 51353 1 207 . 1 . 1 30 30 SER CA C 13 58.467 0.000 . 1 . . . . . 31 SER CA . 51353 1 208 . 1 . 1 30 30 SER CB C 13 63.857 0.000 . 1 . . . . . 31 SER CB . 51353 1 209 . 1 . 1 30 30 SER N N 15 115.292 0.000 . 1 . . . . . 31 SER N . 51353 1 210 . 1 . 1 31 31 ARG H H 1 8.015 0.002 . 1 . . . . . 32 ARG H . 51353 1 211 . 1 . 1 31 31 ARG C C 13 173.587 0.000 . 1 . . . . . 32 ARG C . 51353 1 212 . 1 . 1 31 31 ARG CA C 13 53.792 0.000 . 1 . . . . . 32 ARG CA . 51353 1 213 . 1 . 1 31 31 ARG CB C 13 30.237 0.000 . 1 . . . . . 32 ARG CB . 51353 1 214 . 1 . 1 31 31 ARG N N 15 123.363 0.000 . 1 . . . . . 32 ARG N . 51353 1 215 . 1 . 1 34 34 PRO HA H 1 4.389 0.000 . 1 . . . . . 35 PRO HA . 51353 1 216 . 1 . 1 34 34 PRO HB2 H 1 1.892 0.000 . 2 . . . . . 35 PRO HB2 . 51353 1 217 . 1 . 1 34 34 PRO HB3 H 1 2.276 0.000 . 2 . . . . . 35 PRO HB3 . 51353 1 218 . 1 . 1 34 34 PRO C C 13 176.609 0.000 . 1 . . . . . 35 PRO C . 51353 1 219 . 1 . 1 34 34 PRO CA C 13 62.811 0.000 . 1 . . . . . 35 PRO CA . 51353 1 220 . 1 . 1 34 34 PRO CB C 13 32.012 0.000 . 1 . . . . . 35 PRO CB . 51353 1 221 . 1 . 1 35 35 ALA H H 1 8.329 0.001 . 1 . . . . . 36 ALA H . 51353 1 222 . 1 . 1 35 35 ALA HA H 1 4.267 0.000 . 1 . . . . . 36 ALA HA . 51353 1 223 . 1 . 1 35 35 ALA HB1 H 1 1.354 0.000 . 1 . . . . . 36 ALA HB1 . 51353 1 224 . 1 . 1 35 35 ALA HB2 H 1 1.354 0.000 . 1 . . . . . 36 ALA HB2 . 51353 1 225 . 1 . 1 35 35 ALA HB3 H 1 1.354 0.000 . 1 . . . . . 36 ALA HB3 . 51353 1 226 . 1 . 1 35 35 ALA C C 13 177.563 0.000 . 1 . . . . . 36 ALA C . 51353 1 227 . 1 . 1 35 35 ALA CA C 13 52.203 0.000 . 1 . . . . . 36 ALA CA . 51353 1 228 . 1 . 1 35 35 ALA CB C 13 19.288 0.000 . 1 . . . . . 36 ALA CB . 51353 1 229 . 1 . 1 35 35 ALA N N 15 124.354 0.000 . 1 . . . . . 36 ALA N . 51353 1 230 . 1 . 1 36 36 LYS H H 1 8.286 0.000 . 1 . . . . . 37 LYS H . 51353 1 231 . 1 . 1 36 36 LYS C C 13 174.582 0.000 . 1 . . . . . 37 LYS C . 51353 1 232 . 1 . 1 36 36 LYS CA C 13 54.050 0.000 . 1 . . . . . 37 LYS CA . 51353 1 233 . 1 . 1 36 36 LYS CB C 13 32.491 0.000 . 1 . . . . . 37 LYS CB . 51353 1 234 . 1 . 1 36 36 LYS N N 15 121.770 0.000 . 1 . . . . . 37 LYS N . 51353 1 235 . 1 . 1 37 37 PRO HA H 1 4.387 0.000 . 1 . . . . . 38 PRO HA . 51353 1 236 . 1 . 1 37 37 PRO HB2 H 1 1.856 0.000 . 2 . . . . . 38 PRO HB2 . 51353 1 237 . 1 . 1 37 37 PRO HB3 H 1 2.282 0.000 . 2 . . . . . 38 PRO HB3 . 51353 1 238 . 1 . 1 37 37 PRO C C 13 176.833 0.000 . 1 . . . . . 38 PRO C . 51353 1 239 . 1 . 1 37 37 PRO CA C 13 63.222 0.000 . 1 . . . . . 38 PRO CA . 51353 1 240 . 1 . 1 37 37 PRO CB C 13 32.134 0.000 . 1 . . . . . 38 PRO CB . 51353 1 241 . 1 . 1 38 38 GLN H H 1 8.531 0.001 . 1 . . . . . 39 GLN H . 51353 1 242 . 1 . 1 38 38 GLN HA H 1 4.326 0.000 . 1 . . . . . 39 GLN HA . 51353 1 243 . 1 . 1 38 38 GLN HB2 H 1 1.970 0.000 . 2 . . . . . 39 GLN HB2 . 51353 1 244 . 1 . 1 38 38 GLN HB3 H 1 2.092 0.000 . 2 . . . . . 39 GLN HB3 . 51353 1 245 . 1 . 1 38 38 GLN C C 13 175.987 0.000 . 1 . . . . . 39 GLN C . 51353 1 246 . 1 . 1 38 38 GLN CA C 13 55.602 0.000 . 1 . . . . . 39 GLN CA . 51353 1 247 . 1 . 1 38 38 GLN CB C 13 29.513 0.000 . 1 . . . . . 39 GLN CB . 51353 1 248 . 1 . 1 38 38 GLN N N 15 120.944 0.000 . 1 . . . . . 39 GLN N . 51353 1 249 . 1 . 1 39 39 LEU H H 1 8.333 0.002 . 1 . . . . . 40 LEU H . 51353 1 250 . 1 . 1 39 39 LEU HA H 1 4.391 0.000 . 1 . . . . . 40 LEU HA . 51353 1 251 . 1 . 1 39 39 LEU HB2 H 1 1.625 0.000 . 1 . . . . . 40 LEU HB2 . 51353 1 252 . 1 . 1 39 39 LEU HB3 H 1 1.625 0.000 . 1 . . . . . 40 LEU HB3 . 51353 1 253 . 1 . 1 39 39 LEU C C 13 177.540 0.000 . 1 . . . . . 40 LEU C . 51353 1 254 . 1 . 1 39 39 LEU CA C 13 55.090 0.000 . 1 . . . . . 40 LEU CA . 51353 1 255 . 1 . 1 39 39 LEU CB C 13 42.506 0.000 . 1 . . . . . 40 LEU CB . 51353 1 256 . 1 . 1 39 39 LEU N N 15 123.888 0.000 . 1 . . . . . 40 LEU N . 51353 1 257 . 1 . 1 40 40 SER H H 1 8.407 0.002 . 1 . . . . . 41 SER H . 51353 1 258 . 1 . 1 40 40 SER HA H 1 4.488 0.000 . 1 . . . . . 41 SER HA . 51353 1 259 . 1 . 1 40 40 SER HB2 H 1 3.880 0.000 . 1 . . . . . 41 SER HB2 . 51353 1 260 . 1 . 1 40 40 SER HB3 H 1 3.880 0.000 . 1 . . . . . 41 SER HB3 . 51353 1 261 . 1 . 1 40 40 SER C C 13 175.013 0.000 . 1 . . . . . 41 SER C . 51353 1 262 . 1 . 1 40 40 SER CA C 13 58.286 0.000 . 1 . . . . . 41 SER CA . 51353 1 263 . 1 . 1 40 40 SER CB C 13 63.722 0.000 . 1 . . . . . 41 SER CB . 51353 1 264 . 1 . 1 40 40 SER N N 15 116.798 0.000 . 1 . . . . . 41 SER N . 51353 1 265 . 1 . 1 41 41 THR H H 1 8.168 0.000 . 1 . . . . . 42 THR H . 51353 1 266 . 1 . 1 41 41 THR HA H 1 4.320 0.000 . 1 . . . . . 42 THR HA . 51353 1 267 . 1 . 1 41 41 THR HB H 1 4.310 0.000 . 1 . . . . . 42 THR HB . 51353 1 268 . 1 . 1 41 41 THR C C 13 174.601 0.000 . 1 . . . . . 42 THR C . 51353 1 269 . 1 . 1 41 41 THR CA C 13 61.765 0.000 . 1 . . . . . 42 THR CA . 51353 1 270 . 1 . 1 41 41 THR CB C 13 69.665 0.000 . 1 . . . . . 42 THR CB . 51353 1 271 . 1 . 1 41 41 THR N N 15 115.570 0.000 . 1 . . . . . 42 THR N . 51353 1 272 . 1 . 1 42 42 ALA H H 1 8.239 0.000 . 1 . . . . . 43 ALA H . 51353 1 273 . 1 . 1 42 42 ALA HA H 1 4.289 0.000 . 1 . . . . . 43 ALA HA . 51353 1 274 . 1 . 1 42 42 ALA HB1 H 1 1.381 0.000 . 1 . . . . . 43 ALA HB1 . 51353 1 275 . 1 . 1 42 42 ALA HB2 H 1 1.381 0.000 . 1 . . . . . 43 ALA HB2 . 51353 1 276 . 1 . 1 42 42 ALA HB3 H 1 1.381 0.000 . 1 . . . . . 43 ALA HB3 . 51353 1 277 . 1 . 1 42 42 ALA C C 13 178.013 0.000 . 1 . . . . . 43 ALA C . 51353 1 278 . 1 . 1 42 42 ALA CA C 13 52.910 0.000 . 1 . . . . . 43 ALA CA . 51353 1 279 . 1 . 1 42 42 ALA CB C 13 19.100 0.000 . 1 . . . . . 43 ALA CB . 51353 1 280 . 1 . 1 42 42 ALA N N 15 126.063 0.000 . 1 . . . . . 43 ALA N . 51353 1 281 . 1 . 1 43 43 LYS H H 1 8.272 0.000 . 1 . . . . . 44 LYS H . 51353 1 282 . 1 . 1 43 43 LYS HA H 1 4.301 0.000 . 1 . . . . . 44 LYS HA . 51353 1 283 . 1 . 1 43 43 LYS HB2 H 1 1.756 0.000 . 2 . . . . . 44 LYS HB2 . 51353 1 284 . 1 . 1 43 43 LYS HB3 H 1 1.825 0.000 . 2 . . . . . 44 LYS HB3 . 51353 1 285 . 1 . 1 43 43 LYS C C 13 176.843 0.000 . 1 . . . . . 44 LYS C . 51353 1 286 . 1 . 1 43 43 LYS CA C 13 56.474 0.000 . 1 . . . . . 44 LYS CA . 51353 1 287 . 1 . 1 43 43 LYS CB C 13 32.954 0.000 . 1 . . . . . 44 LYS CB . 51353 1 288 . 1 . 1 43 43 LYS N N 15 120.255 0.000 . 1 . . . . . 44 LYS N . 51353 1 289 . 1 . 1 44 44 SER H H 1 8.231 0.002 . 1 . . . . . 45 SER H . 51353 1 290 . 1 . 1 44 44 SER HA H 1 4.404 0.000 . 1 . . . . . 45 SER HA . 51353 1 291 . 1 . 1 44 44 SER HB2 H 1 3.861 0.000 . 1 . . . . . 45 SER HB2 . 51353 1 292 . 1 . 1 44 44 SER HB3 H 1 3.861 0.000 . 1 . . . . . 45 SER HB3 . 51353 1 293 . 1 . 1 44 44 SER C C 13 174.713 0.000 . 1 . . . . . 45 SER C . 51353 1 294 . 1 . 1 44 44 SER CA C 13 58.431 0.000 . 1 . . . . . 45 SER CA . 51353 1 295 . 1 . 1 44 44 SER CB C 13 63.722 0.000 . 1 . . . . . 45 SER CB . 51353 1 296 . 1 . 1 44 44 SER N N 15 116.488 0.000 . 1 . . . . . 45 SER N . 51353 1 297 . 1 . 1 45 45 ARG H H 1 8.405 0.000 . 1 . . . . . 46 ARG H . 51353 1 298 . 1 . 1 45 45 ARG HA H 1 4.401 0.000 . 1 . . . . . 46 ARG HA . 51353 1 299 . 1 . 1 45 45 ARG HB2 H 1 1.783 0.000 . 2 . . . . . 46 ARG HB2 . 51353 1 300 . 1 . 1 45 45 ARG HB3 H 1 1.903 0.000 . 2 . . . . . 46 ARG HB3 . 51353 1 301 . 1 . 1 45 45 ARG C C 13 176.475 0.000 . 1 . . . . . 46 ARG C . 51353 1 302 . 1 . 1 45 45 ARG CA C 13 56.333 0.000 . 1 . . . . . 46 ARG CA . 51353 1 303 . 1 . 1 45 45 ARG CB C 13 30.774 0.000 . 1 . . . . . 46 ARG CB . 51353 1 304 . 1 . 1 45 45 ARG N N 15 122.958 0.000 . 1 . . . . . 46 ARG N . 51353 1 305 . 1 . 1 46 46 THR H H 1 8.131 0.001 . 1 . . . . . 47 THR H . 51353 1 306 . 1 . 1 46 46 THR HA H 1 4.267 0.000 . 1 . . . . . 47 THR HA . 51353 1 307 . 1 . 1 46 46 THR HB H 1 4.152 0.000 . 1 . . . . . 47 THR HB . 51353 1 308 . 1 . 1 46 46 THR C C 13 174.329 0.000 . 1 . . . . . 47 THR C . 51353 1 309 . 1 . 1 46 46 THR CA C 13 62.194 0.000 . 1 . . . . . 47 THR CA . 51353 1 310 . 1 . 1 46 46 THR CB C 13 69.753 0.000 . 1 . . . . . 47 THR CB . 51353 1 311 . 1 . 1 46 46 THR N N 15 115.283 0.000 . 1 . . . . . 47 THR N . 51353 1 312 . 1 . 1 47 47 ARG H H 1 8.282 0.000 . 1 . . . . . 48 ARG H . 51353 1 313 . 1 . 1 47 47 ARG HA H 1 4.301 0.000 . 1 . . . . . 48 ARG HA . 51353 1 314 . 1 . 1 47 47 ARG HB2 H 1 1.727 0.000 . 1 . . . . . 48 ARG HB2 . 51353 1 315 . 1 . 1 47 47 ARG HB3 H 1 1.727 0.000 . 1 . . . . . 48 ARG HB3 . 51353 1 316 . 1 . 1 47 47 ARG C C 13 175.699 0.000 . 1 . . . . . 48 ARG C . 51353 1 317 . 1 . 1 47 47 ARG CA C 13 56.049 0.000 . 1 . . . . . 48 ARG CA . 51353 1 318 . 1 . 1 47 47 ARG CB C 13 30.781 0.000 . 1 . . . . . 48 ARG CB . 51353 1 319 . 1 . 1 47 47 ARG N N 15 123.569 0.000 . 1 . . . . . 48 ARG N . 51353 1 320 . 1 . 1 48 48 LEU H H 1 8.217 0.000 . 1 . . . . . 49 LEU H . 51353 1 321 . 1 . 1 48 48 LEU HA H 1 4.295 0.000 . 1 . . . . . 49 LEU HA . 51353 1 322 . 1 . 1 48 48 LEU HB2 H 1 1.366 0.000 . 2 . . . . . 49 LEU HB2 . 51353 1 323 . 1 . 1 48 48 LEU HB3 H 1 1.514 0.000 . 2 . . . . . 49 LEU HB3 . 51353 1 324 . 1 . 1 48 48 LEU C C 13 176.843 0.000 . 1 . . . . . 49 LEU C . 51353 1 325 . 1 . 1 48 48 LEU CA C 13 54.952 0.000 . 1 . . . . . 49 LEU CA . 51353 1 326 . 1 . 1 48 48 LEU CB C 13 42.413 0.000 . 1 . . . . . 49 LEU CB . 51353 1 327 . 1 . 1 48 48 LEU N N 15 123.324 0.000 . 1 . . . . . 49 LEU N . 51353 1 328 . 1 . 1 49 49 PHE H H 1 8.250 0.002 . 1 . . . . . 50 PHE H . 51353 1 329 . 1 . 1 49 49 PHE HA H 1 4.605 0.000 . 1 . . . . . 50 PHE HA . 51353 1 330 . 1 . 1 49 49 PHE HB2 H 1 2.996 0.000 . 2 . . . . . 50 PHE HB2 . 51353 1 331 . 1 . 1 49 49 PHE HB3 H 1 3.158 0.000 . 2 . . . . . 50 PHE HB3 . 51353 1 332 . 1 . 1 49 49 PHE C C 13 176.223 0.000 . 1 . . . . . 50 PHE C . 51353 1 333 . 1 . 1 49 49 PHE CA C 13 57.778 0.000 . 1 . . . . . 50 PHE CA . 51353 1 334 . 1 . 1 49 49 PHE CB C 13 39.586 0.000 . 1 . . . . . 50 PHE CB . 51353 1 335 . 1 . 1 49 49 PHE N N 15 120.469 0.000 . 1 . . . . . 50 PHE N . 51353 1 336 . 1 . 1 50 50 GLY H H 1 8.408 0.001 . 1 . . . . . 51 GLY H . 51353 1 337 . 1 . 1 50 50 GLY HA2 H 1 3.896 0.000 . 1 . . . . . 51 GLY HA2 . 51353 1 338 . 1 . 1 50 50 GLY HA3 H 1 3.896 0.000 . 1 . . . . . 51 GLY HA3 . 51353 1 339 . 1 . 1 50 50 GLY C C 13 173.982 0.000 . 1 . . . . . 51 GLY C . 51353 1 340 . 1 . 1 50 50 GLY CA C 13 45.193 0.000 . 1 . . . . . 51 GLY CA . 51353 1 341 . 1 . 1 50 50 GLY N N 15 110.689 0.000 . 1 . . . . . 51 GLY N . 51353 1 342 . 1 . 1 51 51 LYS H H 1 8.234 0.000 . 1 . . . . . 52 LYS H . 51353 1 343 . 1 . 1 51 51 LYS HA H 1 4.339 0.000 . 1 . . . . . 52 LYS HA . 51353 1 344 . 1 . 1 51 51 LYS HB2 H 1 1.744 0.000 . 2 . . . . . 52 LYS HB2 . 51353 1 345 . 1 . 1 51 51 LYS HB3 H 1 1.840 0.000 . 2 . . . . . 52 LYS HB3 . 51353 1 346 . 1 . 1 51 51 LYS C C 13 177.158 0.000 . 1 . . . . . 52 LYS C . 51353 1 347 . 1 . 1 51 51 LYS CA C 13 56.328 0.000 . 1 . . . . . 52 LYS CA . 51353 1 348 . 1 . 1 51 51 LYS CB C 13 32.991 0.000 . 1 . . . . . 52 LYS CB . 51353 1 349 . 1 . 1 51 51 LYS N N 15 120.789 0.000 . 1 . . . . . 52 LYS N . 51353 1 350 . 1 . 1 52 52 GLY H H 1 8.531 0.002 . 1 . . . . . 53 GLY H . 51353 1 351 . 1 . 1 52 52 GLY HA2 H 1 3.956 0.000 . 1 . . . . . 53 GLY HA2 . 51353 1 352 . 1 . 1 52 52 GLY HA3 H 1 3.956 0.000 . 1 . . . . . 53 GLY HA3 . 51353 1 353 . 1 . 1 52 52 GLY C C 13 174.006 0.000 . 1 . . . . . 53 GLY C . 51353 1 354 . 1 . 1 52 52 GLY CA C 13 45.349 0.000 . 1 . . . . . 53 GLY CA . 51353 1 355 . 1 . 1 52 52 GLY N N 15 110.224 0.000 . 1 . . . . . 53 GLY N . 51353 1 356 . 1 . 1 53 53 ASP H H 1 8.251 0.000 . 1 . . . . . 54 ASP H . 51353 1 357 . 1 . 1 53 53 ASP HA H 1 4.506 0.000 . 1 . . . . . 54 ASP HA . 51353 1 358 . 1 . 1 53 53 ASP HB2 H 1 2.677 0.000 . 1 . . . . . 54 ASP HB2 . 51353 1 359 . 1 . 1 53 53 ASP HB3 H 1 2.677 0.000 . 1 . . . . . 54 ASP HB3 . 51353 1 360 . 1 . 1 53 53 ASP C C 13 176.355 0.000 . 1 . . . . . 54 ASP C . 51353 1 361 . 1 . 1 53 53 ASP CA C 13 54.323 0.000 . 1 . . . . . 54 ASP CA . 51353 1 362 . 1 . 1 53 53 ASP CB C 13 41.088 0.000 . 1 . . . . . 54 ASP CB . 51353 1 363 . 1 . 1 53 53 ASP N N 15 120.308 0.000 . 1 . . . . . 54 ASP N . 51353 1 364 . 1 . 1 54 54 SER H H 1 8.253 0.000 . 1 . . . . . 55 SER H . 51353 1 365 . 1 . 1 54 54 SER HA H 1 4.434 0.000 . 1 . . . . . 55 SER HA . 51353 1 366 . 1 . 1 54 54 SER HB2 H 1 3.875 0.000 . 1 . . . . . 55 SER HB2 . 51353 1 367 . 1 . 1 54 54 SER HB3 H 1 3.875 0.000 . 1 . . . . . 55 SER HB3 . 51353 1 368 . 1 . 1 54 54 SER C C 13 174.641 0.000 . 1 . . . . . 55 SER C . 51353 1 369 . 1 . 1 54 54 SER CA C 13 58.503 0.000 . 1 . . . . . 55 SER CA . 51353 1 370 . 1 . 1 54 54 SER CB C 13 63.722 0.000 . 1 . . . . . 55 SER CB . 51353 1 371 . 1 . 1 54 54 SER N N 15 115.407 0.000 . 1 . . . . . 55 SER N . 51353 1 372 . 1 . 1 55 55 GLU H H 1 8.424 0.000 . 1 . . . . . 56 GLU H . 51353 1 373 . 1 . 1 55 55 GLU HA H 1 4.253 0.000 . 1 . . . . . 56 GLU HA . 51353 1 374 . 1 . 1 55 55 GLU HB2 H 1 1.894 0.000 . 2 . . . . . 56 GLU HB2 . 51353 1 375 . 1 . 1 55 55 GLU HB3 H 1 2.055 0.000 . 2 . . . . . 56 GLU HB3 . 51353 1 376 . 1 . 1 55 55 GLU C C 13 176.322 0.000 . 1 . . . . . 56 GLU C . 51353 1 377 . 1 . 1 55 55 GLU CA C 13 56.534 0.000 . 1 . . . . . 56 GLU CA . 51353 1 378 . 1 . 1 55 55 GLU CB C 13 29.830 0.000 . 1 . . . . . 56 GLU CB . 51353 1 379 . 1 . 1 55 55 GLU N N 15 122.159 0.000 . 1 . . . . . 56 GLU N . 51353 1 380 . 1 . 1 56 56 GLU H H 1 8.247 0.001 . 1 . . . . . 57 GLU H . 51353 1 381 . 1 . 1 56 56 GLU HA H 1 4.195 0.000 . 1 . . . . . 57 GLU HA . 51353 1 382 . 1 . 1 56 56 GLU HB2 H 1 1.865 0.000 . 2 . . . . . 57 GLU HB2 . 51353 1 383 . 1 . 1 56 56 GLU HB3 H 1 1.920 0.000 . 2 . . . . . 57 GLU HB3 . 51353 1 384 . 1 . 1 56 56 GLU C C 13 175.600 0.000 . 1 . . . . . 57 GLU C . 51353 1 385 . 1 . 1 56 56 GLU CA C 13 56.256 0.000 . 1 . . . . . 57 GLU CA . 51353 1 386 . 1 . 1 56 56 GLU CB C 13 29.947 0.000 . 1 . . . . . 57 GLU CB . 51353 1 387 . 1 . 1 56 56 GLU N N 15 121.119 0.000 . 1 . . . . . 57 GLU N . 51353 1 388 . 1 . 1 57 57 ALA H H 1 8.166 0.001 . 1 . . . . . 58 ALA H . 51353 1 389 . 1 . 1 57 57 ALA HA H 1 4.246 0.000 . 1 . . . . . 58 ALA HA . 51353 1 390 . 1 . 1 57 57 ALA HB1 H 1 1.245 0.000 . 1 . . . . . 58 ALA HB1 . 51353 1 391 . 1 . 1 57 57 ALA HB2 H 1 1.245 0.000 . 1 . . . . . 58 ALA HB2 . 51353 1 392 . 1 . 1 57 57 ALA HB3 H 1 1.245 0.000 . 1 . . . . . 58 ALA HB3 . 51353 1 393 . 1 . 1 57 57 ALA C C 13 176.861 0.000 . 1 . . . . . 58 ALA C . 51353 1 394 . 1 . 1 57 57 ALA CA C 13 52.247 0.000 . 1 . . . . . 58 ALA CA . 51353 1 395 . 1 . 1 57 57 ALA CB C 13 19.412 0.000 . 1 . . . . . 58 ALA CB . 51353 1 396 . 1 . 1 57 57 ALA N N 15 124.825 0.000 . 1 . . . . . 58 ALA N . 51353 1 397 . 1 . 1 58 58 PHE H H 1 8.118 0.000 . 1 . . . . . 59 PHE H . 51353 1 398 . 1 . 1 58 58 PHE C C 13 173.754 0.000 . 1 . . . . . 59 PHE C . 51353 1 399 . 1 . 1 58 58 PHE CA C 13 55.419 0.000 . 1 . . . . . 59 PHE CA . 51353 1 400 . 1 . 1 58 58 PHE CB C 13 39.037 0.000 . 1 . . . . . 59 PHE CB . 51353 1 401 . 1 . 1 58 58 PHE N N 15 120.059 0.000 . 1 . . . . . 59 PHE N . 51353 1 402 . 1 . 1 59 59 PRO HA H 1 4.467 0.000 . 1 . . . . . 60 PRO HA . 51353 1 403 . 1 . 1 59 59 PRO HB2 H 1 1.929 0.000 . 2 . . . . . 60 PRO HB2 . 51353 1 404 . 1 . 1 59 59 PRO HB3 H 1 2.253 0.000 . 2 . . . . . 60 PRO HB3 . 51353 1 405 . 1 . 1 59 59 PRO C C 13 176.946 0.000 . 1 . . . . . 60 PRO C . 51353 1 406 . 1 . 1 59 59 PRO CA C 13 63.060 0.000 . 1 . . . . . 60 PRO CA . 51353 1 407 . 1 . 1 59 59 PRO CB C 13 32.053 0.000 . 1 . . . . . 60 PRO CB . 51353 1 408 . 1 . 1 60 60 VAL H H 1 8.204 0.001 . 1 . . . . . 61 VAL H . 51353 1 409 . 1 . 1 60 60 VAL HA H 1 4.128 0.000 . 1 . . . . . 61 VAL HA . 51353 1 410 . 1 . 1 60 60 VAL HB H 1 2.100 0.000 . 1 . . . . . 61 VAL HB . 51353 1 411 . 1 . 1 60 60 VAL C C 13 175.924 0.000 . 1 . . . . . 61 VAL C . 51353 1 412 . 1 . 1 60 60 VAL CA C 13 62.254 0.000 . 1 . . . . . 61 VAL CA . 51353 1 413 . 1 . 1 60 60 VAL CB C 13 32.904 0.000 . 1 . . . . . 61 VAL CB . 51353 1 414 . 1 . 1 60 60 VAL N N 15 119.691 0.000 . 1 . . . . . 61 VAL N . 51353 1 415 . 1 . 1 61 61 ASP H H 1 8.404 0.000 . 1 . . . . . 62 ASP H . 51353 1 416 . 1 . 1 61 61 ASP HA H 1 4.456 0.000 . 1 . . . . . 62 ASP HA . 51353 1 417 . 1 . 1 61 61 ASP HB2 H 1 2.653 0.000 . 1 . . . . . 62 ASP HB2 . 51353 1 418 . 1 . 1 61 61 ASP HB3 H 1 2.653 0.000 . 1 . . . . . 62 ASP HB3 . 51353 1 419 . 1 . 1 61 61 ASP C C 13 175.405 0.000 . 1 . . . . . 62 ASP C . 51353 1 420 . 1 . 1 61 61 ASP CA C 13 54.082 0.000 . 1 . . . . . 62 ASP CA . 51353 1 421 . 1 . 1 61 61 ASP CB C 13 40.891 0.000 . 1 . . . . . 62 ASP CB . 51353 1 422 . 1 . 1 61 61 ASP N N 15 122.866 0.000 . 1 . . . . . 62 ASP N . 51353 1 423 . 1 . 1 62 62 CYS H H 1 8.177 0.000 . 1 . . . . . 63 CYS H . 51353 1 424 . 1 . 1 62 62 CYS C C 13 172.331 0.000 . 1 . . . . . 63 CYS C . 51353 1 425 . 1 . 1 62 62 CYS CA C 13 56.329 0.000 . 1 . . . . . 63 CYS CA . 51353 1 426 . 1 . 1 62 62 CYS CB C 13 27.627 0.000 . 1 . . . . . 63 CYS CB . 51353 1 427 . 1 . 1 62 62 CYS N N 15 120.681 0.000 . 1 . . . . . 63 CYS N . 51353 1 428 . 1 . 1 63 63 PRO HA H 1 4.383 0.000 . 1 . . . . . 64 PRO HA . 51353 1 429 . 1 . 1 63 63 PRO HB2 H 1 1.854 0.000 . 2 . . . . . 64 PRO HB2 . 51353 1 430 . 1 . 1 63 63 PRO HB3 H 1 2.252 0.000 . 2 . . . . . 64 PRO HB3 . 51353 1 431 . 1 . 1 63 63 PRO C C 13 176.623 0.000 . 1 . . . . . 64 PRO C . 51353 1 432 . 1 . 1 63 63 PRO CA C 13 63.323 0.000 . 1 . . . . . 64 PRO CA . 51353 1 433 . 1 . 1 63 63 PRO CB C 13 32.134 0.000 . 1 . . . . . 64 PRO CB . 51353 1 434 . 1 . 1 64 64 HIS H H 1 8.572 0.004 . 1 . . . . . 65 HIS H . 51353 1 435 . 1 . 1 64 64 HIS HA H 1 4.699 0.000 . 1 . . . . . 65 HIS HA . 51353 1 436 . 1 . 1 64 64 HIS HB2 H 1 3.153 0.000 . 2 . . . . . 65 HIS HB2 . 51353 1 437 . 1 . 1 64 64 HIS HB3 H 1 3.200 0.000 . 2 . . . . . 65 HIS HB3 . 51353 1 438 . 1 . 1 64 64 HIS C C 13 174.245 0.000 . 1 . . . . . 65 HIS C . 51353 1 439 . 1 . 1 64 64 HIS CA C 13 55.190 0.000 . 1 . . . . . 65 HIS CA . 51353 1 440 . 1 . 1 64 64 HIS CB C 13 29.175 0.000 . 1 . . . . . 65 HIS CB . 51353 1 441 . 1 . 1 64 64 HIS N N 15 118.986 0.000 . 1 . . . . . 65 HIS N . 51353 1 442 . 1 . 1 65 65 GLU H H 1 8.543 0.002 . 1 . . . . . 66 GLU H . 51353 1 443 . 1 . 1 65 65 GLU HA H 1 4.339 0.000 . 1 . . . . . 66 GLU HA . 51353 1 444 . 1 . 1 65 65 GLU HB2 H 1 1.898 0.000 . 2 . . . . . 66 GLU HB2 . 51353 1 445 . 1 . 1 65 65 GLU HB3 H 1 2.065 0.000 . 2 . . . . . 66 GLU HB3 . 51353 1 446 . 1 . 1 65 65 GLU C C 13 176.266 0.000 . 1 . . . . . 66 GLU C . 51353 1 447 . 1 . 1 65 65 GLU CA C 13 56.179 0.000 . 1 . . . . . 66 GLU CA . 51353 1 448 . 1 . 1 65 65 GLU CB C 13 30.092 0.000 . 1 . . . . . 66 GLU CB . 51353 1 449 . 1 . 1 65 65 GLU N N 15 122.664 0.000 . 1 . . . . . 66 GLU N . 51353 1 450 . 1 . 1 66 66 GLU H H 1 8.649 0.002 . 1 . . . . . 67 GLU H . 51353 1 451 . 1 . 1 66 66 GLU HA H 1 4.285 0.000 . 1 . . . . . 67 GLU HA . 51353 1 452 . 1 . 1 66 66 GLU HB2 H 1 1.947 0.000 . 2 . . . . . 67 GLU HB2 . 51353 1 453 . 1 . 1 66 66 GLU HB3 H 1 2.073 0.000 . 2 . . . . . 67 GLU HB3 . 51353 1 454 . 1 . 1 66 66 GLU C C 13 176.861 0.000 . 1 . . . . . 67 GLU C . 51353 1 455 . 1 . 1 66 66 GLU CA C 13 56.765 0.000 . 1 . . . . . 67 GLU CA . 51353 1 456 . 1 . 1 66 66 GLU CB C 13 29.899 0.000 . 1 . . . . . 67 GLU CB . 51353 1 457 . 1 . 1 66 66 GLU N N 15 122.401 0.000 . 1 . . . . . 67 GLU N . 51353 1 458 . 1 . 1 67 67 GLY H H 1 8.491 0.002 . 1 . . . . . 68 GLY H . 51353 1 459 . 1 . 1 67 67 GLY HA2 H 1 3.960 0.000 . 1 . . . . . 68 GLY HA2 . 51353 1 460 . 1 . 1 67 67 GLY HA3 H 1 3.960 0.000 . 1 . . . . . 68 GLY HA3 . 51353 1 461 . 1 . 1 67 67 GLY C C 13 174.113 0.000 . 1 . . . . . 68 GLY C . 51353 1 462 . 1 . 1 67 67 GLY CA C 13 45.256 0.000 . 1 . . . . . 68 GLY CA . 51353 1 463 . 1 . 1 67 67 GLY N N 15 110.168 0.000 . 1 . . . . . 68 GLY N . 51353 1 464 . 1 . 1 68 68 GLU H H 1 8.215 0.000 . 1 . . . . . 69 GLU H . 51353 1 465 . 1 . 1 68 68 GLU HA H 1 4.297 0.000 . 1 . . . . . 69 GLU HA . 51353 1 466 . 1 . 1 68 68 GLU HB2 H 1 1.944 0.000 . 2 . . . . . 69 GLU HB2 . 51353 1 467 . 1 . 1 68 68 GLU HB3 H 1 2.064 0.000 . 2 . . . . . 69 GLU HB3 . 51353 1 468 . 1 . 1 68 68 GLU C C 13 176.564 0.000 . 1 . . . . . 69 GLU C . 51353 1 469 . 1 . 1 68 68 GLU CA C 13 56.329 0.000 . 1 . . . . . 69 GLU CA . 51353 1 470 . 1 . 1 68 68 GLU CB C 13 29.874 0.000 . 1 . . . . . 69 GLU CB . 51353 1 471 . 1 . 1 68 68 GLU N N 15 120.243 0.000 . 1 . . . . . 69 GLU N . 51353 1 472 . 1 . 1 69 69 LEU H H 1 8.349 0.001 . 1 . . . . . 70 LEU H . 51353 1 473 . 1 . 1 69 69 LEU HA H 1 4.339 0.000 . 1 . . . . . 70 LEU HA . 51353 1 474 . 1 . 1 69 69 LEU HB2 H 1 1.609 0.000 . 1 . . . . . 70 LEU HB2 . 51353 1 475 . 1 . 1 69 69 LEU HB3 H 1 1.609 0.000 . 1 . . . . . 70 LEU HB3 . 51353 1 476 . 1 . 1 69 69 LEU C C 13 177.233 0.000 . 1 . . . . . 70 LEU C . 51353 1 477 . 1 . 1 69 69 LEU CA C 13 55.306 0.000 . 1 . . . . . 70 LEU CA . 51353 1 478 . 1 . 1 69 69 LEU CB C 13 42.340 0.000 . 1 . . . . . 70 LEU CB . 51353 1 479 . 1 . 1 69 69 LEU N N 15 122.936 0.000 . 1 . . . . . 70 LEU N . 51353 1 480 . 1 . 1 70 70 ASP H H 1 8.329 0.000 . 1 . . . . . 71 ASP H . 51353 1 481 . 1 . 1 70 70 ASP HA H 1 4.599 0.000 . 1 . . . . . 71 ASP HA . 51353 1 482 . 1 . 1 70 70 ASP HB2 H 1 2.637 0.000 . 2 . . . . . 71 ASP HB2 . 51353 1 483 . 1 . 1 70 70 ASP HB3 H 1 2.702 0.000 . 2 . . . . . 71 ASP HB3 . 51353 1 484 . 1 . 1 70 70 ASP C C 13 176.080 0.000 . 1 . . . . . 71 ASP C . 51353 1 485 . 1 . 1 70 70 ASP CA C 13 54.227 0.000 . 1 . . . . . 71 ASP CA . 51353 1 486 . 1 . 1 70 70 ASP CB C 13 40.698 0.000 . 1 . . . . . 71 ASP CB . 51353 1 487 . 1 . 1 70 70 ASP N N 15 120.779 0.000 . 1 . . . . . 71 ASP N . 51353 1 488 . 1 . 1 71 71 SER H H 1 8.157 0.000 . 1 . . . . . 72 SER H . 51353 1 489 . 1 . 1 71 71 SER HA H 1 4.425 0.000 . 1 . . . . . 72 SER HA . 51353 1 490 . 1 . 1 71 71 SER HB2 H 1 3.852 0.000 . 1 . . . . . 72 SER HB2 . 51353 1 491 . 1 . 1 71 71 SER HB3 H 1 3.852 0.000 . 1 . . . . . 72 SER HB3 . 51353 1 492 . 1 . 1 71 71 SER C C 13 174.155 0.000 . 1 . . . . . 72 SER C . 51353 1 493 . 1 . 1 71 71 SER CA C 13 58.251 0.000 . 1 . . . . . 72 SER CA . 51353 1 494 . 1 . 1 71 71 SER CB C 13 63.775 0.000 . 1 . . . . . 72 SER CB . 51353 1 495 . 1 . 1 71 71 SER N N 15 115.575 0.000 . 1 . . . . . 72 SER N . 51353 1 496 . 1 . 1 72 72 CYS H H 1 8.369 0.000 . 1 . . . . . 73 CYS H . 51353 1 497 . 1 . 1 72 72 CYS C C 13 172.704 0.000 . 1 . . . . . 73 CYS C . 51353 1 498 . 1 . 1 72 72 CYS CA C 13 56.534 0.000 . 1 . . . . . 73 CYS CA . 51353 1 499 . 1 . 1 72 72 CYS CB C 13 27.390 0.000 . 1 . . . . . 73 CYS CB . 51353 1 500 . 1 . 1 72 72 CYS N N 15 122.382 0.000 . 1 . . . . . 73 CYS N . 51353 1 501 . 1 . 1 73 73 PRO HA H 1 4.499 0.000 . 1 . . . . . 74 PRO HA . 51353 1 502 . 1 . 1 73 73 PRO HB2 H 1 1.922 0.000 . 2 . . . . . 74 PRO HB2 . 51353 1 503 . 1 . 1 73 73 PRO HB3 H 1 2.297 0.000 . 2 . . . . . 74 PRO HB3 . 51353 1 504 . 1 . 1 73 73 PRO C C 13 177.002 0.000 . 1 . . . . . 74 PRO C . 51353 1 505 . 1 . 1 73 73 PRO CA C 13 63.445 0.000 . 1 . . . . . 74 PRO CA . 51353 1 506 . 1 . 1 73 73 PRO CB C 13 32.218 0.000 . 1 . . . . . 74 PRO CB . 51353 1 507 . 1 . 1 74 74 THR H H 1 8.258 0.002 . 1 . . . . . 75 THR H . 51353 1 508 . 1 . 1 74 74 THR HA H 1 4.306 0.000 . 1 . . . . . 75 THR HA . 51353 1 509 . 1 . 1 74 74 THR HB H 1 4.151 0.000 . 1 . . . . . 75 THR HB . 51353 1 510 . 1 . 1 74 74 THR C C 13 174.465 0.000 . 1 . . . . . 75 THR C . 51353 1 511 . 1 . 1 74 74 THR CA C 13 62.055 0.000 . 1 . . . . . 75 THR CA . 51353 1 512 . 1 . 1 74 74 THR CB C 13 69.665 0.000 . 1 . . . . . 75 THR CB . 51353 1 513 . 1 . 1 74 74 THR N N 15 115.254 0.034 . 1 . . . . . 75 THR N . 51353 1 514 . 1 . 1 75 75 ILE H H 1 8.185 0.001 . 1 . . . . . 76 ILE H . 51353 1 515 . 1 . 1 75 75 ILE HA H 1 4.264 0.000 . 1 . . . . . 76 ILE HA . 51353 1 516 . 1 . 1 75 75 ILE HB H 1 1.869 0.000 . 1 . . . . . 76 ILE HB . 51353 1 517 . 1 . 1 75 75 ILE C C 13 176.145 0.000 . 1 . . . . . 76 ILE C . 51353 1 518 . 1 . 1 75 75 ILE CA C 13 60.895 0.000 . 1 . . . . . 76 ILE CA . 51353 1 519 . 1 . 1 75 75 ILE CB C 13 38.862 0.000 . 1 . . . . . 76 ILE CB . 51353 1 520 . 1 . 1 75 75 ILE N N 15 123.828 0.000 . 1 . . . . . 76 ILE N . 51353 1 521 . 1 . 1 76 76 THR H H 1 8.315 0.000 . 1 . . . . . 77 THR H . 51353 1 522 . 1 . 1 76 76 THR HA H 1 4.331 0.000 . 1 . . . . . 77 THR HA . 51353 1 523 . 1 . 1 76 76 THR HB H 1 4.116 0.000 . 1 . . . . . 77 THR HB . 51353 1 524 . 1 . 1 76 76 THR C C 13 174.152 0.000 . 1 . . . . . 77 THR C . 51353 1 525 . 1 . 1 76 76 THR CA C 13 61.790 0.000 . 1 . . . . . 77 THR CA . 51353 1 526 . 1 . 1 76 76 THR CB C 13 69.767 0.000 . 1 . . . . . 77 THR CB . 51353 1 527 . 1 . 1 76 76 THR N N 15 119.874 0.000 . 1 . . . . . 77 THR N . 51353 1 528 . 1 . 1 77 77 VAL H H 1 8.249 0.002 . 1 . . . . . 78 VAL H . 51353 1 529 . 1 . 1 77 77 VAL HA H 1 4.160 0.000 . 1 . . . . . 78 VAL HA . 51353 1 530 . 1 . 1 77 77 VAL HB H 1 2.055 0.000 . 1 . . . . . 78 VAL HB . 51353 1 531 . 1 . 1 77 77 VAL C C 13 175.754 0.000 . 1 . . . . . 78 VAL C . 51353 1 532 . 1 . 1 77 77 VAL CA C 13 61.910 0.000 . 1 . . . . . 78 VAL CA . 51353 1 533 . 1 . 1 77 77 VAL CB C 13 32.846 0.000 . 1 . . . . . 78 VAL CB . 51353 1 534 . 1 . 1 77 77 VAL N N 15 123.497 0.000 . 1 . . . . . 78 VAL N . 51353 1 535 . 1 . 1 78 78 SER H H 1 8.428 0.000 . 1 . . . . . 79 SER H . 51353 1 536 . 1 . 1 78 78 SER C C 13 172.638 0.000 . 1 . . . . . 79 SER C . 51353 1 537 . 1 . 1 78 78 SER CA C 13 56.312 0.000 . 1 . . . . . 79 SER CA . 51353 1 538 . 1 . 1 78 78 SER CB C 13 63.325 0.000 . 1 . . . . . 79 SER CB . 51353 1 539 . 1 . 1 78 78 SER N N 15 121.508 0.000 . 1 . . . . . 79 SER N . 51353 1 540 . 1 . 1 79 79 PRO HA H 1 4.458 0.000 . 1 . . . . . 80 PRO HA . 51353 1 541 . 1 . 1 79 79 PRO HB2 H 1 1.885 0.000 . 2 . . . . . 80 PRO HB2 . 51353 1 542 . 1 . 1 79 79 PRO HB3 H 1 2.263 0.000 . 2 . . . . . 80 PRO HB3 . 51353 1 543 . 1 . 1 79 79 PRO C C 13 176.671 0.000 . 1 . . . . . 80 PRO C . 51353 1 544 . 1 . 1 79 79 PRO CA C 13 63.043 0.000 . 1 . . . . . 80 PRO CA . 51353 1 545 . 1 . 1 79 79 PRO CB C 13 32.714 0.000 . 1 . . . . . 80 PRO CB . 51353 1 546 . 1 . 1 80 80 VAL H H 1 8.179 0.004 . 1 . . . . . 81 VAL H . 51353 1 547 . 1 . 1 80 80 VAL HA H 1 4.043 0.000 . 1 . . . . . 81 VAL HA . 51353 1 548 . 1 . 1 80 80 VAL HB H 1 2.004 0.000 . 1 . . . . . 81 VAL HB . 51353 1 549 . 1 . 1 80 80 VAL C C 13 176.173 0.000 . 1 . . . . . 81 VAL C . 51353 1 550 . 1 . 1 80 80 VAL CA C 13 62.489 0.000 . 1 . . . . . 81 VAL CA . 51353 1 551 . 1 . 1 80 80 VAL CB C 13 32.510 0.000 . 1 . . . . . 81 VAL CB . 51353 1 552 . 1 . 1 80 80 VAL N N 15 120.755 0.000 . 1 . . . . . 81 VAL N . 51353 1 553 . 1 . 1 81 81 ILE H H 1 8.265 0.002 . 1 . . . . . 82 ILE H . 51353 1 554 . 1 . 1 81 81 ILE HA H 1 4.253 0.000 . 1 . . . . . 82 ILE HA . 51353 1 555 . 1 . 1 81 81 ILE HB H 1 1.862 0.000 . 1 . . . . . 82 ILE HB . 51353 1 556 . 1 . 1 81 81 ILE C C 13 176.214 0.000 . 1 . . . . . 82 ILE C . 51353 1 557 . 1 . 1 81 81 ILE CA C 13 60.766 0.000 . 1 . . . . . 82 ILE CA . 51353 1 558 . 1 . 1 81 81 ILE CB C 13 38.653 0.000 . 1 . . . . . 82 ILE CB . 51353 1 559 . 1 . 1 81 81 ILE N N 15 125.687 0.000 . 1 . . . . . 82 ILE N . 51353 1 560 . 1 . 1 82 82 THR H H 1 8.302 0.002 . 1 . . . . . 83 THR H . 51353 1 561 . 1 . 1 82 82 THR HA H 1 4.342 0.000 . 1 . . . . . 83 THR HA . 51353 1 562 . 1 . 1 82 82 THR HB H 1 4.125 0.000 . 1 . . . . . 83 THR HB . 51353 1 563 . 1 . 1 82 82 THR C C 13 174.155 0.000 . 1 . . . . . 83 THR C . 51353 1 564 . 1 . 1 82 82 THR CA C 13 61.668 0.000 . 1 . . . . . 83 THR CA . 51353 1 565 . 1 . 1 82 82 THR CB C 13 69.776 0.000 . 1 . . . . . 83 THR CB . 51353 1 566 . 1 . 1 82 82 THR N N 15 119.901 0.000 . 1 . . . . . 83 THR N . 51353 1 567 . 1 . 1 83 83 ILE H H 1 8.203 0.000 . 1 . . . . . 84 ILE H . 51353 1 568 . 1 . 1 83 83 ILE HA H 1 4.163 0.000 . 1 . . . . . 84 ILE HA . 51353 1 569 . 1 . 1 83 83 ILE HB H 1 1.834 0.000 . 1 . . . . . 84 ILE HB . 51353 1 570 . 1 . 1 83 83 ILE C C 13 175.838 0.000 . 1 . . . . . 84 ILE C . 51353 1 571 . 1 . 1 83 83 ILE CA C 13 60.866 0.000 . 1 . . . . . 84 ILE CA . 51353 1 572 . 1 . 1 83 83 ILE CB C 13 38.811 0.000 . 1 . . . . . 84 ILE CB . 51353 1 573 . 1 . 1 83 83 ILE N N 15 124.034 0.000 . 1 . . . . . 84 ILE N . 51353 1 574 . 1 . 1 84 84 GLN H H 1 8.476 0.001 . 1 . . . . . 85 GLN H . 51353 1 575 . 1 . 1 84 84 GLN HA H 1 4.351 0.000 . 1 . . . . . 85 GLN HA . 51353 1 576 . 1 . 1 84 84 GLN HB2 H 1 1.942 0.000 . 2 . . . . . 85 GLN HB2 . 51353 1 577 . 1 . 1 84 84 GLN HB3 H 1 2.021 0.000 . 2 . . . . . 85 GLN HB3 . 51353 1 578 . 1 . 1 84 84 GLN C C 13 175.456 0.000 . 1 . . . . . 85 GLN C . 51353 1 579 . 1 . 1 84 84 GLN CA C 13 55.597 0.000 . 1 . . . . . 85 GLN CA . 51353 1 580 . 1 . 1 84 84 GLN CB C 13 29.593 0.000 . 1 . . . . . 85 GLN CB . 51353 1 581 . 1 . 1 84 84 GLN N N 15 125.180 0.000 . 1 . . . . . 85 GLN N . 51353 1 582 . 1 . 1 85 85 ARG H H 1 8.558 0.001 . 1 . . . . . 86 ARG H . 51353 1 583 . 1 . 1 85 85 ARG C C 13 174.305 0.000 . 1 . . . . . 86 ARG C . 51353 1 584 . 1 . 1 85 85 ARG CA C 13 53.854 0.000 . 1 . . . . . 86 ARG CA . 51353 1 585 . 1 . 1 85 85 ARG CB C 13 30.097 0.000 . 1 . . . . . 86 ARG CB . 51353 1 586 . 1 . 1 85 85 ARG N N 15 124.432 0.000 . 1 . . . . . 86 ARG N . 51353 1 587 . 1 . 1 86 86 PRO HA H 1 4.405 0.000 . 1 . . . . . 87 PRO HA . 51353 1 588 . 1 . 1 86 86 PRO HB2 H 1 1.949 0.000 . 2 . . . . . 87 PRO HB2 . 51353 1 589 . 1 . 1 86 86 PRO HB3 H 1 2.302 0.000 . 2 . . . . . 87 PRO HB3 . 51353 1 590 . 1 . 1 86 86 PRO C C 13 177.625 0.000 . 1 . . . . . 87 PRO C . 51353 1 591 . 1 . 1 86 86 PRO CA C 13 63.687 0.000 . 1 . . . . . 87 PRO CA . 51353 1 592 . 1 . 1 86 86 PRO CB C 13 31.986 0.000 . 1 . . . . . 87 PRO CB . 51353 1 593 . 1 . 1 87 87 GLY H H 1 8.510 0.003 . 1 . . . . . 88 GLY H . 51353 1 594 . 1 . 1 87 87 GLY HA2 H 1 3.951 0.000 . 1 . . . . . 88 GLY HA2 . 51353 1 595 . 1 . 1 87 87 GLY HA3 H 1 3.951 0.000 . 1 . . . . . 88 GLY HA3 . 51353 1 596 . 1 . 1 87 87 GLY C C 13 173.976 0.000 . 1 . . . . . 88 GLY C . 51353 1 597 . 1 . 1 87 87 GLY CA C 13 45.223 0.000 . 1 . . . . . 88 GLY CA . 51353 1 598 . 1 . 1 87 87 GLY N N 15 109.567 0.000 . 1 . . . . . 88 GLY N . 51353 1 599 . 1 . 1 88 88 ASP H H 1 8.113 0.000 . 1 . . . . . 89 ASP H . 51353 1 600 . 1 . 1 88 88 ASP HA H 1 4.698 0.000 . 1 . . . . . 89 ASP HA . 51353 1 601 . 1 . 1 88 88 ASP HB2 H 1 2.696 0.000 . 1 . . . . . 89 ASP HB2 . 51353 1 602 . 1 . 1 88 88 ASP HB3 H 1 2.696 0.000 . 1 . . . . . 89 ASP HB3 . 51353 1 603 . 1 . 1 88 88 ASP C C 13 176.607 0.000 . 1 . . . . . 89 ASP C . 51353 1 604 . 1 . 1 88 88 ASP CA C 13 54.227 0.000 . 1 . . . . . 89 ASP CA . 51353 1 605 . 1 . 1 88 88 ASP CB C 13 41.410 0.000 . 1 . . . . . 89 ASP CB . 51353 1 606 . 1 . 1 88 88 ASP N N 15 120.332 0.000 . 1 . . . . . 89 ASP N . 51353 1 607 . 1 . 1 89 89 GLY H H 1 8.229 0.000 . 1 . . . . . 90 GLY H . 51353 1 608 . 1 . 1 89 89 GLY C C 13 172.124 0.000 . 1 . . . . . 90 GLY C . 51353 1 609 . 1 . 1 89 89 GLY CA C 13 44.721 0.000 . 1 . . . . . 90 GLY CA . 51353 1 610 . 1 . 1 89 89 GLY N N 15 108.817 0.000 . 1 . . . . . 90 GLY N . 51353 1 611 . 1 . 1 90 90 PRO HA H 1 4.505 0.000 . 1 . . . . . 91 PRO HA . 51353 1 612 . 1 . 1 90 90 PRO HB2 H 1 1.960 0.000 . 2 . . . . . 91 PRO HB2 . 51353 1 613 . 1 . 1 90 90 PRO HB3 H 1 2.305 0.000 . 2 . . . . . 91 PRO HB3 . 51353 1 614 . 1 . 1 90 90 PRO C C 13 177.733 0.000 . 1 . . . . . 91 PRO C . 51353 1 615 . 1 . 1 90 90 PRO CA C 13 63.453 0.000 . 1 . . . . . 91 PRO CA . 51353 1 616 . 1 . 1 90 90 PRO CB C 13 32.148 0.000 . 1 . . . . . 91 PRO CB . 51353 1 617 . 1 . 1 91 91 THR H H 1 8.289 0.003 . 1 . . . . . 92 THR H . 51353 1 618 . 1 . 1 91 91 THR HA H 1 4.295 0.000 . 1 . . . . . 92 THR HA . 51353 1 619 . 1 . 1 91 91 THR HB H 1 4.285 0.000 . 1 . . . . . 92 THR HB . 51353 1 620 . 1 . 1 91 91 THR C C 13 175.336 0.000 . 1 . . . . . 92 THR C . 51353 1 621 . 1 . 1 91 91 THR CA C 13 62.089 0.000 . 1 . . . . . 92 THR CA . 51353 1 622 . 1 . 1 91 91 THR CB C 13 69.769 0.000 . 1 . . . . . 92 THR CB . 51353 1 623 . 1 . 1 91 91 THR N N 15 113.449 0.000 . 1 . . . . . 92 THR N . 51353 1 624 . 1 . 1 92 92 GLY H H 1 8.323 0.000 . 1 . . . . . 93 GLY H . 51353 1 625 . 1 . 1 92 92 GLY HA2 H 1 3.944 0.000 . 1 . . . . . 93 GLY HA2 . 51353 1 626 . 1 . 1 92 92 GLY HA3 H 1 3.944 0.000 . 1 . . . . . 93 GLY HA3 . 51353 1 627 . 1 . 1 92 92 GLY C C 13 173.934 0.000 . 1 . . . . . 93 GLY C . 51353 1 628 . 1 . 1 92 92 GLY CA C 13 45.352 0.000 . 1 . . . . . 93 GLY CA . 51353 1 629 . 1 . 1 92 92 GLY N N 15 110.975 0.000 . 1 . . . . . 93 GLY N . 51353 1 630 . 1 . 1 93 93 ALA H H 1 8.121 0.000 . 1 . . . . . 94 ALA H . 51353 1 631 . 1 . 1 93 93 ALA HA H 1 4.289 0.000 . 1 . . . . . 94 ALA HA . 51353 1 632 . 1 . 1 93 93 ALA HB1 H 1 1.372 0.000 . 1 . . . . . 94 ALA HB1 . 51353 1 633 . 1 . 1 93 93 ALA HB2 H 1 1.372 0.000 . 1 . . . . . 94 ALA HB2 . 51353 1 634 . 1 . 1 93 93 ALA HB3 H 1 1.372 0.000 . 1 . . . . . 94 ALA HB3 . 51353 1 635 . 1 . 1 93 93 ALA C C 13 177.736 0.000 . 1 . . . . . 94 ALA C . 51353 1 636 . 1 . 1 93 93 ALA CA C 13 52.540 0.000 . 1 . . . . . 94 ALA CA . 51353 1 637 . 1 . 1 93 93 ALA CB C 13 19.220 0.000 . 1 . . . . . 94 ALA CB . 51353 1 638 . 1 . 1 93 93 ALA N N 15 123.781 0.000 . 1 . . . . . 94 ALA N . 51353 1 639 . 1 . 1 94 94 ARG H H 1 8.267 0.000 . 1 . . . . . 95 ARG H . 51353 1 640 . 1 . 1 94 94 ARG HA H 1 4.320 0.000 . 1 . . . . . 95 ARG HA . 51353 1 641 . 1 . 1 94 94 ARG HB2 H 1 1.799 0.000 . 1 . . . . . 95 ARG HB2 . 51353 1 642 . 1 . 1 94 94 ARG HB3 H 1 1.799 0.000 . 1 . . . . . 95 ARG HB3 . 51353 1 643 . 1 . 1 94 94 ARG C C 13 176.210 0.000 . 1 . . . . . 95 ARG C . 51353 1 644 . 1 . 1 94 94 ARG CA C 13 56.098 0.000 . 1 . . . . . 95 ARG CA . 51353 1 645 . 1 . 1 94 94 ARG CB C 13 30.653 0.000 . 1 . . . . . 95 ARG CB . 51353 1 646 . 1 . 1 94 94 ARG N N 15 120.236 0.000 . 1 . . . . . 95 ARG N . 51353 1 647 . 1 . 1 95 95 LEU H H 1 8.265 0.000 . 1 . . . . . 96 LEU H . 51353 1 648 . 1 . 1 95 95 LEU HA H 1 4.338 0.000 . 1 . . . . . 96 LEU HA . 51353 1 649 . 1 . 1 95 95 LEU HB2 H 1 1.604 0.000 . 1 . . . . . 96 LEU HB2 . 51353 1 650 . 1 . 1 95 95 LEU HB3 H 1 1.604 0.000 . 1 . . . . . 96 LEU HB3 . 51353 1 651 . 1 . 1 95 95 LEU C C 13 177.224 0.000 . 1 . . . . . 96 LEU C . 51353 1 652 . 1 . 1 95 95 LEU CA C 13 55.062 0.000 . 1 . . . . . 96 LEU CA . 51353 1 653 . 1 . 1 95 95 LEU CB C 13 42.268 0.000 . 1 . . . . . 96 LEU CB . 51353 1 654 . 1 . 1 95 95 LEU N N 15 123.610 0.000 . 1 . . . . . 96 LEU N . 51353 1 655 . 1 . 1 96 96 LEU H H 1 8.250 0.002 . 1 . . . . . 97 LEU H . 51353 1 656 . 1 . 1 96 96 LEU HA H 1 4.385 0.000 . 1 . . . . . 97 LEU HA . 51353 1 657 . 1 . 1 96 96 LEU HB2 H 1 1.622 0.000 . 1 . . . . . 97 LEU HB2 . 51353 1 658 . 1 . 1 96 96 LEU HB3 H 1 1.622 0.000 . 1 . . . . . 97 LEU HB3 . 51353 1 659 . 1 . 1 96 96 LEU C C 13 177.736 0.000 . 1 . . . . . 97 LEU C . 51353 1 660 . 1 . 1 96 96 LEU CA C 13 55.110 0.000 . 1 . . . . . 97 LEU CA . 51353 1 661 . 1 . 1 96 96 LEU CB C 13 42.320 0.000 . 1 . . . . . 97 LEU CB . 51353 1 662 . 1 . 1 96 96 LEU N N 15 122.916 0.000 . 1 . . . . . 97 LEU N . 51353 1 663 . 1 . 1 97 97 SER H H 1 8.185 0.002 . 1 . . . . . 98 SER H . 51353 1 664 . 1 . 1 97 97 SER HA H 1 4.422 0.000 . 1 . . . . . 98 SER HA . 51353 1 665 . 1 . 1 97 97 SER HB2 H 1 3.852 0.000 . 1 . . . . . 98 SER HB2 . 51353 1 666 . 1 . 1 97 97 SER HB3 H 1 3.852 0.000 . 1 . . . . . 98 SER HB3 . 51353 1 667 . 1 . 1 97 97 SER C C 13 174.248 0.000 . 1 . . . . . 98 SER C . 51353 1 668 . 1 . 1 97 97 SER CA C 13 58.141 0.000 . 1 . . . . . 98 SER CA . 51353 1 669 . 1 . 1 97 97 SER CB C 13 63.722 0.000 . 1 . . . . . 98 SER CB . 51353 1 670 . 1 . 1 97 97 SER N N 15 116.071 0.000 . 1 . . . . . 98 SER N . 51353 1 671 . 1 . 1 98 98 GLN H H 1 8.380 0.000 . 1 . . . . . 99 GLN H . 51353 1 672 . 1 . 1 98 98 GLN HA H 1 4.404 0.000 . 1 . . . . . 99 GLN HA . 51353 1 673 . 1 . 1 98 98 GLN HB2 H 1 1.977 0.000 . 2 . . . . . 99 GLN HB2 . 51353 1 674 . 1 . 1 98 98 GLN HB3 H 1 2.160 0.000 . 2 . . . . . 99 GLN HB3 . 51353 1 675 . 1 . 1 98 98 GLN C C 13 174.731 0.000 . 1 . . . . . 99 GLN C . 51353 1 676 . 1 . 1 98 98 GLN CA C 13 55.647 0.000 . 1 . . . . . 99 GLN CA . 51353 1 677 . 1 . 1 98 98 GLN CB C 13 29.791 0.000 . 1 . . . . . 99 GLN CB . 51353 1 678 . 1 . 1 98 98 GLN N N 15 122.450 0.000 . 1 . . . . . 99 GLN N . 51353 1 679 . 1 . 1 99 99 ASP H H 1 8.030 0.003 . 1 . . . . . 100 ASP H . 51353 1 680 . 1 . 1 99 99 ASP C C 13 180.396 0.000 . 1 . . . . . 100 ASP C . 51353 1 681 . 1 . 1 99 99 ASP CA C 13 55.371 0.000 . 1 . . . . . 100 ASP CA . 51353 1 682 . 1 . 1 99 99 ASP CB C 13 41.476 0.000 . 1 . . . . . 100 ASP CB . 51353 1 683 . 1 . 1 99 99 ASP N N 15 126.868 0.021 . 1 . . . . . 100 ASP N . 51353 1 stop_ save_