data_52022 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52022 _Entry.Title ; Backbone and side chain assignments for RNA recognition motif (RRM) 1 of CP29A from Arabidopsis thaliana ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-07-10 _Entry.Accession_date 2023-07-10 _Entry.Last_release_date 2023-07-10 _Entry.Original_release_date 2023-07-10 _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 Nitin Kachariya . . . 0000-0002-0839-3668 52022 2 Michael Sattler . . . . 52022 3 Julia Legen . . . . 52022 4 Christian Schmitz-Linneweber . . . . 52022 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52022 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 226 52022 '15N chemical shifts' 77 52022 '1H chemical shifts' 461 52022 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 . . 2024-09-10 . original BMRB . 52022 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52025 'RNA recognition motif (RRM) 2 of CP29A from Arabidopsis thaliana' 52022 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52022 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38723165 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A prion-like domain is required for phase separation and chloroplast RNA processing during cold acclimation in Arabidopsis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plant Cell' _Citation.Journal_name_full 'The Plant cell' _Citation.Journal_volume 36 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1532-298X _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 2851 _Citation.Page_last 2872 _Citation.Year 2024 _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 Julia Legen J. . . . 52022 1 2 Benjamin Lenzen B. . . . 52022 1 3 Nitin Kachariya N. . . . 52022 1 4 Stephanie Feltgen S. . . . 52022 1 5 Yang Gao Y. . . . 52022 1 6 Simon Mergenthal S. . . . 52022 1 7 Willi Weber W. . . . 52022 1 8 Enrico Klotzsch E. . . . 52022 1 9 Reimo Zoschke R. . . . 52022 1 10 Michael Sattler M. . . . 52022 1 11 Christian Schmitz-Linneweber C. . . . 52022 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52022 _Assembly.ID 1 _Assembly.Name 'RRM1 of CP29A' _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 RRM1 1 $entity_1 . . yes native no no . . . 52022 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNP Q43349 . . 'solution NMR' . . . 52022 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52022 _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 ; GAMPDLKLFVGNLSFNVDSA QLAQLFESAGNVEMVEVIYD KVTGRSRGFGFVTMSTAAEV EAAAQQFNGYEFEGRPLRVN AGP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '94 to 176 aa' _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 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment RRM1 _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 Q43349 . CP29A . . . . . . . . . . . . . . 52022 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Stabilizes specific chloroplast mRNAs and is required for normal chloroplast development under cold stress conditions by stabilizing transcripts of numerous mRNAs under these conditions. ; 52022 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 94 GLY . 52022 1 2 95 ALA . 52022 1 3 96 MET . 52022 1 4 97 PRO . 52022 1 5 98 ASP . 52022 1 6 99 LEU . 52022 1 7 100 LYS . 52022 1 8 101 LEU . 52022 1 9 102 PHE . 52022 1 10 103 VAL . 52022 1 11 104 GLY . 52022 1 12 105 ASN . 52022 1 13 106 LEU . 52022 1 14 107 SER . 52022 1 15 108 PHE . 52022 1 16 109 ASN . 52022 1 17 110 VAL . 52022 1 18 111 ASP . 52022 1 19 112 SER . 52022 1 20 113 ALA . 52022 1 21 114 GLN . 52022 1 22 115 LEU . 52022 1 23 116 ALA . 52022 1 24 117 GLN . 52022 1 25 118 LEU . 52022 1 26 119 PHE . 52022 1 27 120 GLU . 52022 1 28 121 SER . 52022 1 29 122 ALA . 52022 1 30 123 GLY . 52022 1 31 124 ASN . 52022 1 32 125 VAL . 52022 1 33 126 GLU . 52022 1 34 127 MET . 52022 1 35 128 VAL . 52022 1 36 129 GLU . 52022 1 37 130 VAL . 52022 1 38 131 ILE . 52022 1 39 132 TYR . 52022 1 40 133 ASP . 52022 1 41 134 LYS . 52022 1 42 135 VAL . 52022 1 43 136 THR . 52022 1 44 137 GLY . 52022 1 45 138 ARG . 52022 1 46 139 SER . 52022 1 47 140 ARG . 52022 1 48 141 GLY . 52022 1 49 142 PHE . 52022 1 50 143 GLY . 52022 1 51 144 PHE . 52022 1 52 145 VAL . 52022 1 53 146 THR . 52022 1 54 147 MET . 52022 1 55 148 SER . 52022 1 56 149 THR . 52022 1 57 150 ALA . 52022 1 58 151 ALA . 52022 1 59 152 GLU . 52022 1 60 153 VAL . 52022 1 61 154 GLU . 52022 1 62 155 ALA . 52022 1 63 156 ALA . 52022 1 64 157 ALA . 52022 1 65 158 GLN . 52022 1 66 159 GLN . 52022 1 67 160 PHE . 52022 1 68 161 ASN . 52022 1 69 162 GLY . 52022 1 70 163 TYR . 52022 1 71 164 GLU . 52022 1 72 165 PHE . 52022 1 73 166 GLU . 52022 1 74 167 GLY . 52022 1 75 168 ARG . 52022 1 76 169 PRO . 52022 1 77 170 LEU . 52022 1 78 171 ARG . 52022 1 79 172 VAL . 52022 1 80 173 ASN . 52022 1 81 174 ALA . 52022 1 82 175 GLY . 52022 1 83 176 PRO . 52022 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 52022 1 . ALA 2 2 52022 1 . MET 3 3 52022 1 . PRO 4 4 52022 1 . ASP 5 5 52022 1 . LEU 6 6 52022 1 . LYS 7 7 52022 1 . LEU 8 8 52022 1 . PHE 9 9 52022 1 . VAL 10 10 52022 1 . GLY 11 11 52022 1 . ASN 12 12 52022 1 . LEU 13 13 52022 1 . SER 14 14 52022 1 . PHE 15 15 52022 1 . ASN 16 16 52022 1 . VAL 17 17 52022 1 . ASP 18 18 52022 1 . SER 19 19 52022 1 . ALA 20 20 52022 1 . GLN 21 21 52022 1 . LEU 22 22 52022 1 . ALA 23 23 52022 1 . GLN 24 24 52022 1 . LEU 25 25 52022 1 . PHE 26 26 52022 1 . GLU 27 27 52022 1 . SER 28 28 52022 1 . ALA 29 29 52022 1 . GLY 30 30 52022 1 . ASN 31 31 52022 1 . VAL 32 32 52022 1 . GLU 33 33 52022 1 . MET 34 34 52022 1 . VAL 35 35 52022 1 . GLU 36 36 52022 1 . VAL 37 37 52022 1 . ILE 38 38 52022 1 . TYR 39 39 52022 1 . ASP 40 40 52022 1 . LYS 41 41 52022 1 . VAL 42 42 52022 1 . THR 43 43 52022 1 . GLY 44 44 52022 1 . ARG 45 45 52022 1 . SER 46 46 52022 1 . ARG 47 47 52022 1 . GLY 48 48 52022 1 . PHE 49 49 52022 1 . GLY 50 50 52022 1 . PHE 51 51 52022 1 . VAL 52 52 52022 1 . THR 53 53 52022 1 . MET 54 54 52022 1 . SER 55 55 52022 1 . THR 56 56 52022 1 . ALA 57 57 52022 1 . ALA 58 58 52022 1 . GLU 59 59 52022 1 . VAL 60 60 52022 1 . GLU 61 61 52022 1 . ALA 62 62 52022 1 . ALA 63 63 52022 1 . ALA 64 64 52022 1 . GLN 65 65 52022 1 . GLN 66 66 52022 1 . PHE 67 67 52022 1 . ASN 68 68 52022 1 . GLY 69 69 52022 1 . TYR 70 70 52022 1 . GLU 71 71 52022 1 . PHE 72 72 52022 1 . GLU 73 73 52022 1 . GLY 74 74 52022 1 . ARG 75 75 52022 1 . PRO 76 76 52022 1 . LEU 77 77 52022 1 . ARG 78 78 52022 1 . VAL 79 79 52022 1 . ASN 80 80 52022 1 . ALA 81 81 52022 1 . GLY 82 82 52022 1 . PRO 83 83 52022 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 52022 _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 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 52022 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 52022 _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 . . pET-M11 . . . 52022 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52022 _Sample.ID 1 _Sample.Name 'RRM1 of CP29A' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RRM1 of CP29A' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 52022 1 2 'RRM1 of CP29A' [U-15N] . . 1 $entity_1 . . 400 . . uM . . . . 52022 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 52022 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Room temperature' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 52022 1 pH 6.5 . pH 52022 1 pressure 1 . atm 52022 1 temperature 298 . K 52022 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52022 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version '3.5 pl 7' _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52022 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52022 _Software.ID 2 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52022 2 'data analysis' . 52022 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52022 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker NMR spectrometer 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 52022 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker NMR spectrometer 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 52022 _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 . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52022 1 2 '2D 1H-13C HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52022 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52022 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52022 1 5 '3D HNCO' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52022 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52022 1 7 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52022 1 8 '3D (H)CCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52022 1 9 '3D 1H-15N NOESY' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52022 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 52022 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Spectral referencing' _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 carbon' . . . . ppm 0 internal direct 1 . . . . . 52022 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52022 1 N 15 DSS nitrogen . . . . ppm 0 internal direct 1 . . . . . 52022 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 52022 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'RRM1 of CP29A' _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' . . . 52022 1 2 '2D 1H-13C HSQC' . . . 52022 1 3 '3D HNCACB' . . . 52022 1 4 '3D CBCA(CO)NH' . . . 52022 1 5 '3D HNCO' . . . 52022 1 6 '3D HN(CA)CO' . . . 52022 1 7 '3D H(CCO)NH' . . . 52022 1 8 '3D (H)CCH-TOCSY' . . . 52022 1 9 '3D 1H-15N NOESY' . . . 52022 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 . . 52022 1 2 $software_2 . . 52022 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 4 4 PRO HA H 1 4.309 0.000 . 1 . . . . . 97 PRO HA . 52022 1 2 . 1 . 1 4 4 PRO HB2 H 1 2.212 0.000 . 2 . . . . . 97 PRO HB2 . 52022 1 3 . 1 . 1 4 4 PRO HB3 H 1 2.182 0.000 . 2 . . . . . 97 PRO HB3 . 52022 1 4 . 1 . 1 4 4 PRO HG2 H 1 1.898 0.000 . 2 . . . . . 97 PRO HG2 . 52022 1 5 . 1 . 1 4 4 PRO HG3 H 1 1.880 0.000 . 2 . . . . . 97 PRO HG3 . 52022 1 6 . 1 . 1 4 4 PRO C C 13 176.195 0.000 . 1 . . . . . 97 PRO C . 52022 1 7 . 1 . 1 4 4 PRO CA C 13 63.379 0.000 . 1 . . . . . 97 PRO CA . 52022 1 8 . 1 . 1 4 4 PRO CB C 13 32.017 0.000 . 1 . . . . . 97 PRO CB . 52022 1 9 . 1 . 1 5 5 ASP H H 1 8.311 0.009 . 1 . . . . . 98 ASP H . 52022 1 10 . 1 . 1 5 5 ASP HA H 1 4.429 0.000 . 1 . . . . . 98 ASP HA . 52022 1 11 . 1 . 1 5 5 ASP HB2 H 1 2.622 0.000 . 2 . . . . . 98 ASP HB2 . 52022 1 12 . 1 . 1 5 5 ASP HB3 H 1 2.600 0.000 . 2 . . . . . 98 ASP HB3 . 52022 1 13 . 1 . 1 5 5 ASP C C 13 176.216 0.005 . 1 . . . . . 98 ASP C . 52022 1 14 . 1 . 1 5 5 ASP CA C 13 54.314 0.000 . 1 . . . . . 98 ASP CA . 52022 1 15 . 1 . 1 5 5 ASP CB C 13 40.902 0.000 . 1 . . . . . 98 ASP CB . 52022 1 16 . 1 . 1 5 5 ASP N N 15 119.554 0.061 . 1 . . . . . 98 ASP N . 52022 1 17 . 1 . 1 6 6 LEU H H 1 8.055 0.005 . 1 . . . . . 99 LEU H . 52022 1 18 . 1 . 1 6 6 LEU HA H 1 4.361 0.000 . 1 . . . . . 99 LEU HA . 52022 1 19 . 1 . 1 6 6 LEU HB2 H 1 1.595 0.000 . 2 . . . . . 99 LEU HB2 . 52022 1 20 . 1 . 1 6 6 LEU HB3 H 1 1.581 0.000 . 2 . . . . . 99 LEU HB3 . 52022 1 21 . 1 . 1 6 6 LEU HG H 1 1.571 0.000 . 1 . . . . . 99 LEU HG . 52022 1 22 . 1 . 1 6 6 LEU HD11 H 1 0.700 0.000 . 2 . . . . . 99 LEU HD11 . 52022 1 23 . 1 . 1 6 6 LEU HD12 H 1 0.700 0.000 . 2 . . . . . 99 LEU HD12 . 52022 1 24 . 1 . 1 6 6 LEU HD13 H 1 0.700 0.000 . 2 . . . . . 99 LEU HD13 . 52022 1 25 . 1 . 1 6 6 LEU HD21 H 1 0.684 0.000 . 2 . . . . . 99 LEU HD21 . 52022 1 26 . 1 . 1 6 6 LEU HD22 H 1 0.684 0.000 . 2 . . . . . 99 LEU HD22 . 52022 1 27 . 1 . 1 6 6 LEU HD23 H 1 0.684 0.000 . 2 . . . . . 99 LEU HD23 . 52022 1 28 . 1 . 1 6 6 LEU C C 13 174.319 0.000 . 1 . . . . . 99 LEU C . 52022 1 29 . 1 . 1 6 6 LEU CA C 13 54.341 0.000 . 1 . . . . . 99 LEU CA . 52022 1 30 . 1 . 1 6 6 LEU CB C 13 40.700 0.000 . 1 . . . . . 99 LEU CB . 52022 1 31 . 1 . 1 6 6 LEU N N 15 121.987 0.106 . 1 . . . . . 99 LEU N . 52022 1 32 . 1 . 1 7 7 LYS H H 1 7.538 0.012 . 1 . . . . . 100 LYS H . 52022 1 33 . 1 . 1 7 7 LYS HA H 1 4.937 0.000 . 1 . . . . . 100 LYS HA . 52022 1 34 . 1 . 1 7 7 LYS HB2 H 1 1.595 0.000 . 2 . . . . . 100 LYS HB2 . 52022 1 35 . 1 . 1 7 7 LYS HB3 H 1 1.575 0.000 . 2 . . . . . 100 LYS HB3 . 52022 1 36 . 1 . 1 7 7 LYS HG2 H 1 1.321 0.000 . 2 . . . . . 100 LYS HG2 . 52022 1 37 . 1 . 1 7 7 LYS HG3 H 1 1.306 0.000 . 2 . . . . . 100 LYS HG3 . 52022 1 38 . 1 . 1 7 7 LYS C C 13 176.017 0.000 . 1 . . . . . 100 LYS C . 52022 1 39 . 1 . 1 7 7 LYS CA C 13 55.458 0.000 . 1 . . . . . 100 LYS CA . 52022 1 40 . 1 . 1 7 7 LYS CB C 13 35.362 0.000 . 1 . . . . . 100 LYS CB . 52022 1 41 . 1 . 1 7 7 LYS N N 15 118.638 0.101 . 1 . . . . . 100 LYS N . 52022 1 42 . 1 . 1 8 8 LEU H H 1 9.361 0.008 . 1 . . . . . 101 LEU H . 52022 1 43 . 1 . 1 8 8 LEU HA H 1 4.752 0.000 . 1 . . . . . 101 LEU HA . 52022 1 44 . 1 . 1 8 8 LEU HB2 H 1 1.516 0.000 . 2 . . . . . 101 LEU HB2 . 52022 1 45 . 1 . 1 8 8 LEU HB3 H 1 1.480 0.000 . 2 . . . . . 101 LEU HB3 . 52022 1 46 . 1 . 1 8 8 LEU HG H 1 1.437 0.000 . 1 . . . . . 101 LEU HG . 52022 1 47 . 1 . 1 8 8 LEU HD11 H 1 0.876 0.000 . 2 . . . . . 101 LEU HD11 . 52022 1 48 . 1 . 1 8 8 LEU HD12 H 1 0.876 0.000 . 2 . . . . . 101 LEU HD12 . 52022 1 49 . 1 . 1 8 8 LEU HD13 H 1 0.876 0.000 . 2 . . . . . 101 LEU HD13 . 52022 1 50 . 1 . 1 8 8 LEU HD21 H 1 0.861 0.000 . 2 . . . . . 101 LEU HD21 . 52022 1 51 . 1 . 1 8 8 LEU HD22 H 1 0.861 0.000 . 2 . . . . . 101 LEU HD22 . 52022 1 52 . 1 . 1 8 8 LEU HD23 H 1 0.861 0.000 . 2 . . . . . 101 LEU HD23 . 52022 1 53 . 1 . 1 8 8 LEU C C 13 176.102 0.000 . 1 . . . . . 101 LEU C . 52022 1 54 . 1 . 1 8 8 LEU CA C 13 54.424 0.000 . 1 . . . . . 101 LEU CA . 52022 1 55 . 1 . 1 8 8 LEU CB C 13 43.872 0.000 . 1 . . . . . 101 LEU CB . 52022 1 56 . 1 . 1 8 8 LEU N N 15 124.435 0.054 . 1 . . . . . 101 LEU N . 52022 1 57 . 1 . 1 9 9 PHE H H 1 8.760 0.016 . 1 . . . . . 102 PHE H . 52022 1 58 . 1 . 1 9 9 PHE HA H 1 4.373 0.000 . 1 . . . . . 102 PHE HA . 52022 1 59 . 1 . 1 9 9 PHE HB2 H 1 2.995 0.000 . 2 . . . . . 102 PHE HB2 . 52022 1 60 . 1 . 1 9 9 PHE HB3 H 1 2.983 0.000 . 2 . . . . . 102 PHE HB3 . 52022 1 61 . 1 . 1 9 9 PHE C C 13 173.681 0.000 . 1 . . . . . 102 PHE C . 52022 1 62 . 1 . 1 9 9 PHE CA C 13 57.687 0.000 . 1 . . . . . 102 PHE CA . 52022 1 63 . 1 . 1 9 9 PHE CB C 13 40.191 0.000 . 1 . . . . . 102 PHE CB . 52022 1 64 . 1 . 1 9 9 PHE N N 15 124.023 0.066 . 1 . . . . . 102 PHE N . 52022 1 65 . 1 . 1 10 10 VAL H H 1 7.906 0.032 . 1 . . . . . 103 VAL H . 52022 1 66 . 1 . 1 10 10 VAL HA H 1 4.532 0.000 . 1 . . . . . 103 VAL HA . 52022 1 67 . 1 . 1 10 10 VAL HB H 1 1.332 0.000 . 1 . . . . . 103 VAL HB . 52022 1 68 . 1 . 1 10 10 VAL HG11 H 1 0.593 0.000 . 2 . . . . . 103 VAL HG11 . 52022 1 69 . 1 . 1 10 10 VAL HG12 H 1 0.593 0.000 . 2 . . . . . 103 VAL HG12 . 52022 1 70 . 1 . 1 10 10 VAL HG13 H 1 0.593 0.000 . 2 . . . . . 103 VAL HG13 . 52022 1 71 . 1 . 1 10 10 VAL HG21 H 1 0.583 0.000 . 2 . . . . . 103 VAL HG21 . 52022 1 72 . 1 . 1 10 10 VAL HG22 H 1 0.583 0.000 . 2 . . . . . 103 VAL HG22 . 52022 1 73 . 1 . 1 10 10 VAL HG23 H 1 0.583 0.000 . 2 . . . . . 103 VAL HG23 . 52022 1 74 . 1 . 1 10 10 VAL C C 13 173.512 0.000 . 1 . . . . . 103 VAL C . 52022 1 75 . 1 . 1 10 10 VAL CA C 13 60.571 0.000 . 1 . . . . . 103 VAL CA . 52022 1 76 . 1 . 1 10 10 VAL CB C 13 32.870 0.000 . 1 . . . . . 103 VAL CB . 52022 1 77 . 1 . 1 10 10 VAL N N 15 127.130 0.061 . 1 . . . . . 103 VAL N . 52022 1 78 . 1 . 1 11 11 GLY H H 1 9.316 0.018 . 1 . . . . . 104 GLY H . 52022 1 79 . 1 . 1 11 11 GLY HA2 H 1 4.645 0.000 . 2 . . . . . 104 GLY HA2 . 52022 1 80 . 1 . 1 11 11 GLY HA3 H 1 3.528 0.000 . 2 . . . . . 104 GLY HA3 . 52022 1 81 . 1 . 1 11 11 GLY C C 13 173.380 0.000 . 1 . . . . . 104 GLY C . 52022 1 82 . 1 . 1 11 11 GLY CA C 13 43.079 0.000 . 1 . . . . . 104 GLY CA . 52022 1 83 . 1 . 1 11 11 GLY N N 15 112.109 0.060 . 1 . . . . . 104 GLY N . 52022 1 84 . 1 . 1 12 12 ASN H H 1 8.551 0.045 . 1 . . . . . 105 ASN H . 52022 1 85 . 1 . 1 12 12 ASN HA H 1 3.789 0.000 . 1 . . . . . 105 ASN HA . 52022 1 86 . 1 . 1 12 12 ASN HB2 H 1 2.367 0.000 . 2 . . . . . 105 ASN HB2 . 52022 1 87 . 1 . 1 12 12 ASN HB3 H 1 2.360 0.000 . 2 . . . . . 105 ASN HB3 . 52022 1 88 . 1 . 1 12 12 ASN C C 13 175.026 0.000 . 1 . . . . . 105 ASN C . 52022 1 89 . 1 . 1 12 12 ASN CA C 13 53.350 0.000 . 1 . . . . . 105 ASN CA . 52022 1 90 . 1 . 1 12 12 ASN CB C 13 38.686 0.000 . 1 . . . . . 105 ASN CB . 52022 1 91 . 1 . 1 12 12 ASN N N 15 115.631 0.087 . 1 . . . . . 105 ASN N . 52022 1 92 . 1 . 1 13 13 LEU H H 1 7.708 0.048 . 1 . . . . . 106 LEU H . 52022 1 93 . 1 . 1 13 13 LEU HA H 1 4.056 0.000 . 1 . . . . . 106 LEU HA . 52022 1 94 . 1 . 1 13 13 LEU HB2 H 1 1.157 0.000 . 2 . . . . . 106 LEU HB2 . 52022 1 95 . 1 . 1 13 13 LEU HB3 H 1 1.101 0.000 . 2 . . . . . 106 LEU HB3 . 52022 1 96 . 1 . 1 13 13 LEU HG H 1 1.090 0.000 . 1 . . . . . 106 LEU HG . 52022 1 97 . 1 . 1 13 13 LEU HD11 H 1 0.489 0.000 . 2 . . . . . 106 LEU HD11 . 52022 1 98 . 1 . 1 13 13 LEU HD12 H 1 0.489 0.000 . 2 . . . . . 106 LEU HD12 . 52022 1 99 . 1 . 1 13 13 LEU HD13 H 1 0.489 0.000 . 2 . . . . . 106 LEU HD13 . 52022 1 100 . 1 . 1 13 13 LEU HD21 H 1 0.479 0.000 . 2 . . . . . 106 LEU HD21 . 52022 1 101 . 1 . 1 13 13 LEU HD22 H 1 0.479 0.000 . 2 . . . . . 106 LEU HD22 . 52022 1 102 . 1 . 1 13 13 LEU HD23 H 1 0.479 0.000 . 2 . . . . . 106 LEU HD23 . 52022 1 103 . 1 . 1 13 13 LEU C C 13 178.254 0.000 . 1 . . . . . 106 LEU C . 52022 1 104 . 1 . 1 13 13 LEU CA C 13 53.273 0.000 . 1 . . . . . 106 LEU CA . 52022 1 105 . 1 . 1 13 13 LEU CB C 13 43.473 0.000 . 1 . . . . . 106 LEU CB . 52022 1 106 . 1 . 1 13 13 LEU N N 15 115.023 0.173 . 1 . . . . . 106 LEU N . 52022 1 107 . 1 . 1 14 14 SER H H 1 8.654 0.027 . 1 . . . . . 107 SER H . 52022 1 108 . 1 . 1 14 14 SER HA H 1 3.832 0.000 . 1 . . . . . 107 SER HA . 52022 1 109 . 1 . 1 14 14 SER HB2 H 1 3.815 0.000 . 2 . . . . . 107 SER HB2 . 52022 1 110 . 1 . 1 14 14 SER HB3 H 1 3.807 0.000 . 2 . . . . . 107 SER HB3 . 52022 1 111 . 1 . 1 14 14 SER C C 13 176.546 0.000 . 1 . . . . . 107 SER C . 52022 1 112 . 1 . 1 14 14 SER CA C 13 58.057 0.000 . 1 . . . . . 107 SER CA . 52022 1 113 . 1 . 1 14 14 SER CB C 13 63.505 0.000 . 1 . . . . . 107 SER CB . 52022 1 114 . 1 . 1 14 14 SER N N 15 118.035 0.232 . 1 . . . . . 107 SER N . 52022 1 115 . 1 . 1 15 15 PHE H H 1 8.394 0.061 . 1 . . . . . 108 PHE H . 52022 1 116 . 1 . 1 15 15 PHE HA H 1 4.222 0.000 . 1 . . . . . 108 PHE HA . 52022 1 117 . 1 . 1 15 15 PHE HB2 H 1 3.240 0.000 . 2 . . . . . 108 PHE HB2 . 52022 1 118 . 1 . 1 15 15 PHE HB3 H 1 3.041 0.000 . 2 . . . . . 108 PHE HB3 . 52022 1 119 . 1 . 1 15 15 PHE C C 13 174.808 0.000 . 1 . . . . . 108 PHE C . 52022 1 120 . 1 . 1 15 15 PHE CA C 13 59.569 0.000 . 1 . . . . . 108 PHE CA . 52022 1 121 . 1 . 1 15 15 PHE CB C 13 38.027 0.000 . 1 . . . . . 108 PHE CB . 52022 1 122 . 1 . 1 15 15 PHE N N 15 123.676 0.198 . 1 . . . . . 108 PHE N . 52022 1 123 . 1 . 1 16 16 ASN H H 1 7.998 0.007 . 1 . . . . . 109 ASN H . 52022 1 124 . 1 . 1 16 16 ASN HA H 1 4.597 0.000 . 1 . . . . . 109 ASN HA . 52022 1 125 . 1 . 1 16 16 ASN HB2 H 1 2.589 0.000 . 2 . . . . . 109 ASN HB2 . 52022 1 126 . 1 . 1 16 16 ASN HB3 H 1 2.569 0.000 . 2 . . . . . 109 ASN HB3 . 52022 1 127 . 1 . 1 16 16 ASN C C 13 174.851 0.000 . 1 . . . . . 109 ASN C . 52022 1 128 . 1 . 1 16 16 ASN CA C 13 53.008 0.000 . 1 . . . . . 109 ASN CA . 52022 1 129 . 1 . 1 16 16 ASN CB C 13 38.092 0.000 . 1 . . . . . 109 ASN CB . 52022 1 130 . 1 . 1 16 16 ASN N N 15 114.518 0.083 . 1 . . . . . 109 ASN N . 52022 1 131 . 1 . 1 17 17 VAL H H 1 7.018 0.043 . 1 . . . . . 110 VAL H . 52022 1 132 . 1 . 1 17 17 VAL HA H 1 3.969 0.000 . 1 . . . . . 110 VAL HA . 52022 1 133 . 1 . 1 17 17 VAL HB H 1 1.921 0.000 . 1 . . . . . 110 VAL HB . 52022 1 134 . 1 . 1 17 17 VAL HG11 H 1 0.862 0.000 . 2 . . . . . 110 VAL HG11 . 52022 1 135 . 1 . 1 17 17 VAL HG12 H 1 0.862 0.000 . 2 . . . . . 110 VAL HG12 . 52022 1 136 . 1 . 1 17 17 VAL HG13 H 1 0.862 0.000 . 2 . . . . . 110 VAL HG13 . 52022 1 137 . 1 . 1 17 17 VAL HG21 H 1 0.839 0.000 . 2 . . . . . 110 VAL HG21 . 52022 1 138 . 1 . 1 17 17 VAL HG22 H 1 0.839 0.000 . 2 . . . . . 110 VAL HG22 . 52022 1 139 . 1 . 1 17 17 VAL HG23 H 1 0.839 0.000 . 2 . . . . . 110 VAL HG23 . 52022 1 140 . 1 . 1 17 17 VAL C C 13 175.175 0.000 . 1 . . . . . 110 VAL C . 52022 1 141 . 1 . 1 17 17 VAL CA C 13 63.481 0.000 . 1 . . . . . 110 VAL CA . 52022 1 142 . 1 . 1 17 17 VAL CB C 13 31.721 0.000 . 1 . . . . . 110 VAL CB . 52022 1 143 . 1 . 1 17 17 VAL N N 15 120.634 0.077 . 1 . . . . . 110 VAL N . 52022 1 144 . 1 . 1 18 18 ASP H H 1 7.865 0.006 . 1 . . . . . 111 ASP H . 52022 1 145 . 1 . 1 18 18 ASP HA H 1 4.924 0.000 . 1 . . . . . 111 ASP HA . 52022 1 146 . 1 . 1 18 18 ASP HB2 H 1 3.089 0.000 . 2 . . . . . 111 ASP HB2 . 52022 1 147 . 1 . 1 18 18 ASP HB3 H 1 2.719 0.000 . 2 . . . . . 111 ASP HB3 . 52022 1 148 . 1 . 1 18 18 ASP C C 13 176.069 0.000 . 1 . . . . . 111 ASP C . 52022 1 149 . 1 . 1 18 18 ASP CA C 13 51.552 0.000 . 1 . . . . . 111 ASP CA . 52022 1 150 . 1 . 1 18 18 ASP CB C 13 42.924 0.000 . 1 . . . . . 111 ASP CB . 52022 1 151 . 1 . 1 18 18 ASP N N 15 128.023 0.037 . 1 . . . . . 111 ASP N . 52022 1 152 . 1 . 1 19 19 SER H H 1 8.713 0.004 . 1 . . . . . 112 SER H . 52022 1 153 . 1 . 1 19 19 SER HA H 1 3.747 0.000 . 1 . . . . . 112 SER HA . 52022 1 154 . 1 . 1 19 19 SER HB2 H 1 3.727 0.000 . 2 . . . . . 112 SER HB2 . 52022 1 155 . 1 . 1 19 19 SER HB3 H 1 3.716 0.000 . 2 . . . . . 112 SER HB3 . 52022 1 156 . 1 . 1 19 19 SER N N 15 114.247 0.062 . 1 . . . . . 112 SER N . 52022 1 157 . 1 . 1 20 20 ALA H H 1 7.909 0.004 . 1 . . . . . 113 ALA H . 52022 1 158 . 1 . 1 20 20 ALA HA H 1 4.065 0.000 . 1 . . . . . 113 ALA HA . 52022 1 159 . 1 . 1 20 20 ALA HB1 H 1 1.396 0.000 . 1 . . . . . 113 ALA HB1 . 52022 1 160 . 1 . 1 20 20 ALA HB2 H 1 1.396 0.000 . 1 . . . . . 113 ALA HB2 . 52022 1 161 . 1 . 1 20 20 ALA HB3 H 1 1.396 0.000 . 1 . . . . . 113 ALA HB3 . 52022 1 162 . 1 . 1 20 20 ALA C C 13 180.766 0.000 . 1 . . . . . 113 ALA C . 52022 1 163 . 1 . 1 20 20 ALA CA C 13 55.211 0.000 . 1 . . . . . 113 ALA CA . 52022 1 164 . 1 . 1 20 20 ALA CB C 13 17.906 0.000 . 1 . . . . . 113 ALA CB . 52022 1 165 . 1 . 1 20 20 ALA N N 15 124.926 0.046 . 1 . . . . . 113 ALA N . 52022 1 166 . 1 . 1 21 21 GLN H H 1 8.169 0.008 . 1 . . . . . 114 GLN H . 52022 1 167 . 1 . 1 21 21 GLN HA H 1 4.064 0.000 . 1 . . . . . 114 GLN HA . 52022 1 168 . 1 . 1 21 21 GLN HB2 H 1 2.325 0.000 . 2 . . . . . 114 GLN HB2 . 52022 1 169 . 1 . 1 21 21 GLN HB3 H 1 2.310 0.000 . 2 . . . . . 114 GLN HB3 . 52022 1 170 . 1 . 1 21 21 GLN HG2 H 1 2.631 0.000 . 2 . . . . . 114 GLN HG2 . 52022 1 171 . 1 . 1 21 21 GLN HG3 H 1 2.619 0.000 . 2 . . . . . 114 GLN HG3 . 52022 1 172 . 1 . 1 21 21 GLN C C 13 179.385 0.000 . 1 . . . . . 114 GLN C . 52022 1 173 . 1 . 1 21 21 GLN CA C 13 59.075 0.000 . 1 . . . . . 114 GLN CA . 52022 1 174 . 1 . 1 21 21 GLN CB C 13 29.848 0.000 . 1 . . . . . 114 GLN CB . 52022 1 175 . 1 . 1 21 21 GLN N N 15 118.852 0.085 . 1 . . . . . 114 GLN N . 52022 1 176 . 1 . 1 22 22 LEU H H 1 7.776 0.010 . 1 . . . . . 115 LEU H . 52022 1 177 . 1 . 1 22 22 LEU HA H 1 3.866 0.000 . 1 . . . . . 115 LEU HA . 52022 1 178 . 1 . 1 22 22 LEU HD11 H 1 0.422 0.000 . 2 . . . . . 115 LEU HD11 . 52022 1 179 . 1 . 1 22 22 LEU HD12 H 1 0.422 0.000 . 2 . . . . . 115 LEU HD12 . 52022 1 180 . 1 . 1 22 22 LEU HD13 H 1 0.422 0.000 . 2 . . . . . 115 LEU HD13 . 52022 1 181 . 1 . 1 22 22 LEU HD21 H 1 0.405 0.000 . 2 . . . . . 115 LEU HD21 . 52022 1 182 . 1 . 1 22 22 LEU HD22 H 1 0.405 0.000 . 2 . . . . . 115 LEU HD22 . 52022 1 183 . 1 . 1 22 22 LEU HD23 H 1 0.405 0.000 . 2 . . . . . 115 LEU HD23 . 52022 1 184 . 1 . 1 22 22 LEU C C 13 177.872 0.000 . 1 . . . . . 115 LEU C . 52022 1 185 . 1 . 1 22 22 LEU CA C 13 57.466 0.000 . 1 . . . . . 115 LEU CA . 52022 1 186 . 1 . 1 22 22 LEU CB C 13 42.292 0.000 . 1 . . . . . 115 LEU CB . 52022 1 187 . 1 . 1 22 22 LEU N N 15 120.122 0.080 . 1 . . . . . 115 LEU N . 52022 1 188 . 1 . 1 23 23 ALA H H 1 8.389 0.019 . 1 . . . . . 116 ALA H . 52022 1 189 . 1 . 1 23 23 ALA HA H 1 3.704 0.000 . 1 . . . . . 116 ALA HA . 52022 1 190 . 1 . 1 23 23 ALA HB1 H 1 1.386 0.000 . 1 . . . . . 116 ALA HB1 . 52022 1 191 . 1 . 1 23 23 ALA HB2 H 1 1.386 0.000 . 1 . . . . . 116 ALA HB2 . 52022 1 192 . 1 . 1 23 23 ALA HB3 H 1 1.386 0.000 . 1 . . . . . 116 ALA HB3 . 52022 1 193 . 1 . 1 23 23 ALA C C 13 178.805 0.000 . 1 . . . . . 116 ALA C . 52022 1 194 . 1 . 1 23 23 ALA CA C 13 55.901 0.000 . 1 . . . . . 116 ALA CA . 52022 1 195 . 1 . 1 23 23 ALA CB C 13 17.907 0.000 . 1 . . . . . 116 ALA CB . 52022 1 196 . 1 . 1 23 23 ALA N N 15 120.765 0.080 . 1 . . . . . 116 ALA N . 52022 1 197 . 1 . 1 24 24 GLN H H 1 7.512 0.002 . 1 . . . . . 117 GLN H . 52022 1 198 . 1 . 1 24 24 GLN HA H 1 3.929 0.000 . 1 . . . . . 117 GLN HA . 52022 1 199 . 1 . 1 24 24 GLN HB2 H 1 2.137 0.000 . 2 . . . . . 117 GLN HB2 . 52022 1 200 . 1 . 1 24 24 GLN HB3 H 1 2.117 0.000 . 2 . . . . . 117 GLN HB3 . 52022 1 201 . 1 . 1 24 24 GLN HG2 H 1 2.379 0.000 . 2 . . . . . 117 GLN HG2 . 52022 1 202 . 1 . 1 24 24 GLN HG3 H 1 2.357 0.000 . 2 . . . . . 117 GLN HG3 . 52022 1 203 . 1 . 1 24 24 GLN C C 13 178.115 0.000 . 1 . . . . . 117 GLN C . 52022 1 204 . 1 . 1 24 24 GLN CA C 13 58.615 0.000 . 1 . . . . . 117 GLN CA . 52022 1 205 . 1 . 1 24 24 GLN CB C 13 28.607 0.000 . 1 . . . . . 117 GLN CB . 52022 1 206 . 1 . 1 24 24 GLN N N 15 114.642 0.047 . 1 . . . . . 117 GLN N . 52022 1 207 . 1 . 1 25 25 LEU H H 1 7.248 0.005 . 1 . . . . . 118 LEU H . 52022 1 208 . 1 . 1 25 25 LEU HA H 1 3.902 0.000 . 1 . . . . . 118 LEU HA . 52022 1 209 . 1 . 1 25 25 LEU HB2 H 1 1.467 0.000 . 2 . . . . . 118 LEU HB2 . 52022 1 210 . 1 . 1 25 25 LEU HB3 H 1 1.457 0.000 . 2 . . . . . 118 LEU HB3 . 52022 1 211 . 1 . 1 25 25 LEU HG H 1 1.445 0.000 . 1 . . . . . 118 LEU HG . 52022 1 212 . 1 . 1 25 25 LEU HD11 H 1 1.055 0.000 . 2 . . . . . 118 LEU HD11 . 52022 1 213 . 1 . 1 25 25 LEU HD12 H 1 1.055 0.000 . 2 . . . . . 118 LEU HD12 . 52022 1 214 . 1 . 1 25 25 LEU HD13 H 1 1.055 0.000 . 2 . . . . . 118 LEU HD13 . 52022 1 215 . 1 . 1 25 25 LEU HD21 H 1 1.041 0.000 . 2 . . . . . 118 LEU HD21 . 52022 1 216 . 1 . 1 25 25 LEU HD22 H 1 1.041 0.000 . 2 . . . . . 118 LEU HD22 . 52022 1 217 . 1 . 1 25 25 LEU HD23 H 1 1.041 0.000 . 2 . . . . . 118 LEU HD23 . 52022 1 218 . 1 . 1 25 25 LEU C C 13 178.066 0.000 . 1 . . . . . 118 LEU C . 52022 1 219 . 1 . 1 25 25 LEU CA C 13 57.798 0.000 . 1 . . . . . 118 LEU CA . 52022 1 220 . 1 . 1 25 25 LEU CB C 13 41.696 0.000 . 1 . . . . . 118 LEU CB . 52022 1 221 . 1 . 1 25 25 LEU N N 15 119.169 0.056 . 1 . . . . . 118 LEU N . 52022 1 222 . 1 . 1 26 26 PHE H H 1 7.705 0.005 . 1 . . . . . 119 PHE H . 52022 1 223 . 1 . 1 26 26 PHE HA H 1 3.708 0.000 . 1 . . . . . 119 PHE HA . 52022 1 224 . 1 . 1 26 26 PHE HB2 H 1 2.692 0.000 . 2 . . . . . 119 PHE HB2 . 52022 1 225 . 1 . 1 26 26 PHE HB3 H 1 2.678 0.000 . 2 . . . . . 119 PHE HB3 . 52022 1 226 . 1 . 1 26 26 PHE C C 13 176.905 0.000 . 1 . . . . . 119 PHE C . 52022 1 227 . 1 . 1 26 26 PHE CA C 13 61.102 0.000 . 1 . . . . . 119 PHE CA . 52022 1 228 . 1 . 1 26 26 PHE CB C 13 39.075 0.000 . 1 . . . . . 119 PHE CB . 52022 1 229 . 1 . 1 26 26 PHE N N 15 115.742 0.083 . 1 . . . . . 119 PHE N . 52022 1 230 . 1 . 1 27 27 GLU H H 1 7.853 0.008 . 1 . . . . . 120 GLU H . 52022 1 231 . 1 . 1 27 27 GLU HA H 1 4.656 0.000 . 1 . . . . . 120 GLU HA . 52022 1 232 . 1 . 1 27 27 GLU HB2 H 1 2.162 0.000 . 2 . . . . . 120 GLU HB2 . 52022 1 233 . 1 . 1 27 27 GLU HB3 H 1 2.142 0.000 . 2 . . . . . 120 GLU HB3 . 52022 1 234 . 1 . 1 27 27 GLU HG2 H 1 2.416 0.000 . 2 . . . . . 120 GLU HG2 . 52022 1 235 . 1 . 1 27 27 GLU HG3 H 1 2.427 0.000 . 2 . . . . . 120 GLU HG3 . 52022 1 236 . 1 . 1 27 27 GLU C C 13 177.859 0.000 . 1 . . . . . 120 GLU C . 52022 1 237 . 1 . 1 27 27 GLU CA C 13 57.931 0.000 . 1 . . . . . 120 GLU CA . 52022 1 238 . 1 . 1 27 27 GLU CB C 13 29.273 0.000 . 1 . . . . . 120 GLU CB . 52022 1 239 . 1 . 1 27 27 GLU N N 15 120.183 0.059 . 1 . . . . . 120 GLU N . 52022 1 240 . 1 . 1 28 28 SER H H 1 7.419 0.003 . 1 . . . . . 121 SER H . 52022 1 241 . 1 . 1 28 28 SER HA H 1 4.012 0.000 . 1 . . . . . 121 SER HA . 52022 1 242 . 1 . 1 28 28 SER HB2 H 1 3.965 0.000 . 2 . . . . . 121 SER HB2 . 52022 1 243 . 1 . 1 28 28 SER HB3 H 1 3.939 0.000 . 2 . . . . . 121 SER HB3 . 52022 1 244 . 1 . 1 28 28 SER C C 13 175.104 0.000 . 1 . . . . . 121 SER C . 52022 1 245 . 1 . 1 28 28 SER CA C 13 60.930 0.000 . 1 . . . . . 121 SER CA . 52022 1 246 . 1 . 1 28 28 SER CB C 13 63.318 0.000 . 1 . . . . . 121 SER CB . 52022 1 247 . 1 . 1 28 28 SER N N 15 112.134 0.039 . 1 . . . . . 121 SER N . 52022 1 248 . 1 . 1 29 29 ALA H H 1 8.079 0.011 . 1 . . . . . 122 ALA H . 52022 1 249 . 1 . 1 29 29 ALA HA H 1 4.427 0.000 . 1 . . . . . 122 ALA HA . 52022 1 250 . 1 . 1 29 29 ALA HB1 H 1 1.339 0.000 . 1 . . . . . 122 ALA HB1 . 52022 1 251 . 1 . 1 29 29 ALA HB2 H 1 1.339 0.000 . 1 . . . . . 122 ALA HB2 . 52022 1 252 . 1 . 1 29 29 ALA HB3 H 1 1.339 0.000 . 1 . . . . . 122 ALA HB3 . 52022 1 253 . 1 . 1 29 29 ALA C C 13 175.798 0.000 . 1 . . . . . 122 ALA C . 52022 1 254 . 1 . 1 29 29 ALA CA C 13 51.809 0.000 . 1 . . . . . 122 ALA CA . 52022 1 255 . 1 . 1 29 29 ALA CB C 13 19.901 0.000 . 1 . . . . . 122 ALA CB . 52022 1 256 . 1 . 1 29 29 ALA N N 15 122.413 0.148 . 1 . . . . . 122 ALA N . 52022 1 257 . 1 . 1 30 30 GLY H H 1 7.250 0.002 . 1 . . . . . 123 GLY H . 52022 1 258 . 1 . 1 30 30 GLY HA2 H 1 3.709 0.000 . 2 . . . . . 123 GLY HA2 . 52022 1 259 . 1 . 1 30 30 GLY HA3 H 1 3.701 0.000 . 2 . . . . . 123 GLY HA3 . 52022 1 260 . 1 . 1 30 30 GLY C C 13 170.421 0.000 . 1 . . . . . 123 GLY C . 52022 1 261 . 1 . 1 30 30 GLY CA C 13 44.977 0.000 . 1 . . . . . 123 GLY CA . 52022 1 262 . 1 . 1 30 30 GLY N N 15 104.721 0.039 . 1 . . . . . 123 GLY N . 52022 1 263 . 1 . 1 31 31 ASN H H 1 8.430 0.007 . 1 . . . . . 124 ASN H . 52022 1 264 . 1 . 1 31 31 ASN HA H 1 4.566 0.000 . 1 . . . . . 124 ASN HA . 52022 1 265 . 1 . 1 31 31 ASN HB2 H 1 2.778 0.000 . 2 . . . . . 124 ASN HB2 . 52022 1 266 . 1 . 1 31 31 ASN HB3 H 1 2.769 0.000 . 2 . . . . . 124 ASN HB3 . 52022 1 267 . 1 . 1 31 31 ASN C C 13 173.457 0.000 . 1 . . . . . 124 ASN C . 52022 1 268 . 1 . 1 31 31 ASN CA C 13 53.505 0.000 . 1 . . . . . 124 ASN CA . 52022 1 269 . 1 . 1 31 31 ASN CB C 13 38.753 0.000 . 1 . . . . . 124 ASN CB . 52022 1 270 . 1 . 1 31 31 ASN N N 15 118.673 0.083 . 1 . . . . . 124 ASN N . 52022 1 271 . 1 . 1 32 32 VAL H H 1 8.229 0.010 . 1 . . . . . 125 VAL H . 52022 1 272 . 1 . 1 32 32 VAL HA H 1 4.016 0.000 . 1 . . . . . 125 VAL HA . 52022 1 273 . 1 . 1 32 32 VAL HB H 1 1.926 0.000 . 1 . . . . . 125 VAL HB . 52022 1 274 . 1 . 1 32 32 VAL HG11 H 1 0.700 0.000 . 2 . . . . . 125 VAL HG11 . 52022 1 275 . 1 . 1 32 32 VAL HG12 H 1 0.700 0.000 . 2 . . . . . 125 VAL HG12 . 52022 1 276 . 1 . 1 32 32 VAL HG13 H 1 0.700 0.000 . 2 . . . . . 125 VAL HG13 . 52022 1 277 . 1 . 1 32 32 VAL HG21 H 1 0.686 0.000 . 2 . . . . . 125 VAL HG21 . 52022 1 278 . 1 . 1 32 32 VAL HG22 H 1 0.686 0.000 . 2 . . . . . 125 VAL HG22 . 52022 1 279 . 1 . 1 32 32 VAL HG23 H 1 0.686 0.000 . 2 . . . . . 125 VAL HG23 . 52022 1 280 . 1 . 1 32 32 VAL C C 13 176.569 0.000 . 1 . . . . . 125 VAL C . 52022 1 281 . 1 . 1 32 32 VAL CA C 13 62.033 0.000 . 1 . . . . . 125 VAL CA . 52022 1 282 . 1 . 1 32 32 VAL CB C 13 32.244 0.000 . 1 . . . . . 125 VAL CB . 52022 1 283 . 1 . 1 32 32 VAL N N 15 126.038 0.019 . 1 . . . . . 125 VAL N . 52022 1 284 . 1 . 1 33 33 GLU H H 1 8.848 0.005 . 1 . . . . . 126 GLU H . 52022 1 285 . 1 . 1 33 33 GLU HA H 1 4.197 0.000 . 1 . . . . . 126 GLU HA . 52022 1 286 . 1 . 1 33 33 GLU HB2 H 1 1.425 0.000 . 2 . . . . . 126 GLU HB2 . 52022 1 287 . 1 . 1 33 33 GLU HB3 H 1 1.432 0.000 . 2 . . . . . 126 GLU HB3 . 52022 1 288 . 1 . 1 33 33 GLU HG2 H 1 1.928 0.000 . 2 . . . . . 126 GLU HG2 . 52022 1 289 . 1 . 1 33 33 GLU HG3 H 1 1.922 0.000 . 2 . . . . . 126 GLU HG3 . 52022 1 290 . 1 . 1 33 33 GLU C C 13 176.647 0.000 . 1 . . . . . 126 GLU C . 52022 1 291 . 1 . 1 33 33 GLU CA C 13 57.382 0.000 . 1 . . . . . 126 GLU CA . 52022 1 292 . 1 . 1 33 33 GLU CB C 13 30.787 0.000 . 1 . . . . . 126 GLU CB . 52022 1 293 . 1 . 1 33 33 GLU N N 15 128.512 0.081 . 1 . . . . . 126 GLU N . 52022 1 294 . 1 . 1 34 34 MET H H 1 7.418 0.007 . 1 . . . . . 127 MET H . 52022 1 295 . 1 . 1 34 34 MET HA H 1 4.252 0.000 . 1 . . . . . 127 MET HA . 52022 1 296 . 1 . 1 34 34 MET HB2 H 1 1.936 0.000 . 2 . . . . . 127 MET HB2 . 52022 1 297 . 1 . 1 34 34 MET HB3 H 1 1.929 0.000 . 2 . . . . . 127 MET HB3 . 52022 1 298 . 1 . 1 34 34 MET HG2 H 1 2.395 0.000 . 2 . . . . . 127 MET HG2 . 52022 1 299 . 1 . 1 34 34 MET HG3 H 1 2.380 0.000 . 2 . . . . . 127 MET HG3 . 52022 1 300 . 1 . 1 34 34 MET HE1 H 1 1.907 0.000 . 1 . . . . . 127 MET HE1 . 52022 1 301 . 1 . 1 34 34 MET HE2 H 1 1.907 0.000 . 1 . . . . . 127 MET HE2 . 52022 1 302 . 1 . 1 34 34 MET HE3 H 1 1.907 0.000 . 1 . . . . . 127 MET HE3 . 52022 1 303 . 1 . 1 34 34 MET C C 13 172.952 0.000 . 1 . . . . . 127 MET C . 52022 1 304 . 1 . 1 34 34 MET CA C 13 55.563 0.000 . 1 . . . . . 127 MET CA . 52022 1 305 . 1 . 1 34 34 MET CB C 13 35.033 0.000 . 1 . . . . . 127 MET CB . 52022 1 306 . 1 . 1 34 34 MET N N 15 115.529 0.071 . 1 . . . . . 127 MET N . 52022 1 307 . 1 . 1 35 35 VAL H H 1 8.302 0.017 . 1 . . . . . 128 VAL H . 52022 1 308 . 1 . 1 35 35 VAL HA H 1 4.755 0.000 . 1 . . . . . 128 VAL HA . 52022 1 309 . 1 . 1 35 35 VAL HB H 1 1.790 0.000 . 1 . . . . . 128 VAL HB . 52022 1 310 . 1 . 1 35 35 VAL HG11 H 1 0.744 0.000 . 2 . . . . . 128 VAL HG11 . 52022 1 311 . 1 . 1 35 35 VAL HG12 H 1 0.744 0.000 . 2 . . . . . 128 VAL HG12 . 52022 1 312 . 1 . 1 35 35 VAL HG13 H 1 0.744 0.000 . 2 . . . . . 128 VAL HG13 . 52022 1 313 . 1 . 1 35 35 VAL HG21 H 1 0.735 0.000 . 2 . . . . . 128 VAL HG21 . 52022 1 314 . 1 . 1 35 35 VAL HG22 H 1 0.735 0.000 . 2 . . . . . 128 VAL HG22 . 52022 1 315 . 1 . 1 35 35 VAL HG23 H 1 0.735 0.000 . 2 . . . . . 128 VAL HG23 . 52022 1 316 . 1 . 1 35 35 VAL C C 13 173.455 0.000 . 1 . . . . . 128 VAL C . 52022 1 317 . 1 . 1 35 35 VAL CA C 13 61.066 0.000 . 1 . . . . . 128 VAL CA . 52022 1 318 . 1 . 1 35 35 VAL CB C 13 34.947 0.000 . 1 . . . . . 128 VAL CB . 52022 1 319 . 1 . 1 35 35 VAL N N 15 121.975 0.085 . 1 . . . . . 128 VAL N . 52022 1 320 . 1 . 1 36 36 GLU H H 1 8.622 0.012 . 1 . . . . . 129 GLU H . 52022 1 321 . 1 . 1 36 36 GLU HB2 H 1 2.028 0.000 . 2 . . . . . 129 GLU HB2 . 52022 1 322 . 1 . 1 36 36 GLU HB3 H 1 2.020 0.000 . 2 . . . . . 129 GLU HB3 . 52022 1 323 . 1 . 1 36 36 GLU HG2 H 1 2.057 0.000 . 2 . . . . . 129 GLU HG2 . 52022 1 324 . 1 . 1 36 36 GLU HG3 H 1 2.052 0.000 . 2 . . . . . 129 GLU HG3 . 52022 1 325 . 1 . 1 36 36 GLU C C 13 174.216 0.000 . 1 . . . . . 129 GLU C . 52022 1 326 . 1 . 1 36 36 GLU CA C 13 55.217 0.000 . 1 . . . . . 129 GLU CA . 52022 1 327 . 1 . 1 36 36 GLU CB C 13 33.654 0.000 . 1 . . . . . 129 GLU CB . 52022 1 328 . 1 . 1 36 36 GLU N N 15 124.869 0.097 . 1 . . . . . 129 GLU N . 52022 1 329 . 1 . 1 37 37 VAL H H 1 8.255 0.010 . 1 . . . . . 130 VAL H . 52022 1 330 . 1 . 1 37 37 VAL HA H 1 3.745 0.000 . 1 . . . . . 130 VAL HA . 52022 1 331 . 1 . 1 37 37 VAL HB H 1 1.634 0.000 . 1 . . . . . 130 VAL HB . 52022 1 332 . 1 . 1 37 37 VAL HG11 H 1 0.359 0.000 . 2 . . . . . 130 VAL HG11 . 52022 1 333 . 1 . 1 37 37 VAL HG12 H 1 0.359 0.000 . 2 . . . . . 130 VAL HG12 . 52022 1 334 . 1 . 1 37 37 VAL HG13 H 1 0.359 0.000 . 2 . . . . . 130 VAL HG13 . 52022 1 335 . 1 . 1 37 37 VAL HG21 H 1 0.344 0.000 . 2 . . . . . 130 VAL HG21 . 52022 1 336 . 1 . 1 37 37 VAL HG22 H 1 0.344 0.000 . 2 . . . . . 130 VAL HG22 . 52022 1 337 . 1 . 1 37 37 VAL HG23 H 1 0.344 0.000 . 2 . . . . . 130 VAL HG23 . 52022 1 338 . 1 . 1 37 37 VAL C C 13 173.650 0.000 . 1 . . . . . 130 VAL C . 52022 1 339 . 1 . 1 37 37 VAL CA C 13 62.681 0.000 . 1 . . . . . 130 VAL CA . 52022 1 340 . 1 . 1 37 37 VAL CB C 13 33.003 0.000 . 1 . . . . . 130 VAL CB . 52022 1 341 . 1 . 1 37 37 VAL N N 15 126.057 0.042 . 1 . . . . . 130 VAL N . 52022 1 342 . 1 . 1 38 38 ILE H H 1 7.761 0.016 . 1 . . . . . 131 ILE H . 52022 1 343 . 1 . 1 38 38 ILE HA H 1 4.037 0.000 . 1 . . . . . 131 ILE HA . 52022 1 344 . 1 . 1 38 38 ILE HB H 1 2.007 0.000 . 1 . . . . . 131 ILE HB . 52022 1 345 . 1 . 1 38 38 ILE HG12 H 1 1.307 0.000 . 2 . . . . . 131 ILE HG12 . 52022 1 346 . 1 . 1 38 38 ILE HG13 H 1 1.291 0.000 . 2 . . . . . 131 ILE HG13 . 52022 1 347 . 1 . 1 38 38 ILE HG21 H 1 0.759 0.000 . 1 . . . . . 131 ILE HG21 . 52022 1 348 . 1 . 1 38 38 ILE HG22 H 1 0.759 0.000 . 1 . . . . . 131 ILE HG22 . 52022 1 349 . 1 . 1 38 38 ILE HG23 H 1 0.759 0.000 . 1 . . . . . 131 ILE HG23 . 52022 1 350 . 1 . 1 38 38 ILE HD11 H 1 0.738 0.000 . 1 . . . . . 131 ILE HD11 . 52022 1 351 . 1 . 1 38 38 ILE HD12 H 1 0.738 0.000 . 1 . . . . . 131 ILE HD12 . 52022 1 352 . 1 . 1 38 38 ILE HD13 H 1 0.738 0.000 . 1 . . . . . 131 ILE HD13 . 52022 1 353 . 1 . 1 38 38 ILE C C 13 174.015 0.000 . 1 . . . . . 131 ILE C . 52022 1 354 . 1 . 1 38 38 ILE CA C 13 58.668 0.000 . 1 . . . . . 131 ILE CA . 52022 1 355 . 1 . 1 38 38 ILE CB C 13 34.142 0.000 . 1 . . . . . 131 ILE CB . 52022 1 356 . 1 . 1 38 38 ILE N N 15 126.889 0.062 . 1 . . . . . 131 ILE N . 52022 1 357 . 1 . 1 39 39 TYR H H 1 8.362 0.006 . 1 . . . . . 132 TYR H . 52022 1 358 . 1 . 1 39 39 TYR HA H 1 4.547 0.000 . 1 . . . . . 132 TYR HA . 52022 1 359 . 1 . 1 39 39 TYR HB2 H 1 2.490 0.000 . 2 . . . . . 132 TYR HB2 . 52022 1 360 . 1 . 1 39 39 TYR HB3 H 1 2.470 0.000 . 2 . . . . . 132 TYR HB3 . 52022 1 361 . 1 . 1 39 39 TYR C C 13 176.005 0.000 . 1 . . . . . 132 TYR C . 52022 1 362 . 1 . 1 39 39 TYR CA C 13 57.287 0.000 . 1 . . . . . 132 TYR CA . 52022 1 363 . 1 . 1 39 39 TYR CB C 13 41.059 0.000 . 1 . . . . . 132 TYR CB . 52022 1 364 . 1 . 1 39 39 TYR N N 15 124.299 0.054 . 1 . . . . . 132 TYR N . 52022 1 365 . 1 . 1 40 40 ASP H H 1 8.867 0.011 . 1 . . . . . 133 ASP H . 52022 1 366 . 1 . 1 40 40 ASP HA H 1 4.396 0.000 . 1 . . . . . 133 ASP HA . 52022 1 367 . 1 . 1 40 40 ASP HB2 H 1 3.039 0.000 . 2 . . . . . 133 ASP HB2 . 52022 1 368 . 1 . 1 40 40 ASP HB3 H 1 2.396 0.000 . 2 . . . . . 133 ASP HB3 . 52022 1 369 . 1 . 1 40 40 ASP C C 13 177.546 0.000 . 1 . . . . . 133 ASP C . 52022 1 370 . 1 . 1 40 40 ASP CA C 13 54.088 0.000 . 1 . . . . . 133 ASP CA . 52022 1 371 . 1 . 1 40 40 ASP CB C 13 42.949 0.000 . 1 . . . . . 133 ASP CB . 52022 1 372 . 1 . 1 40 40 ASP N N 15 123.007 0.094 . 1 . . . . . 133 ASP N . 52022 1 373 . 1 . 1 41 41 LYS H H 1 8.878 0.016 . 1 . . . . . 134 LYS H . 52022 1 374 . 1 . 1 41 41 LYS HA H 1 3.994 0.000 . 1 . . . . . 134 LYS HA . 52022 1 375 . 1 . 1 41 41 LYS HB2 H 1 1.817 0.000 . 2 . . . . . 134 LYS HB2 . 52022 1 376 . 1 . 1 41 41 LYS HB3 H 1 1.806 0.000 . 2 . . . . . 134 LYS HB3 . 52022 1 377 . 1 . 1 41 41 LYS HG2 H 1 1.507 0.000 . 2 . . . . . 134 LYS HG2 . 52022 1 378 . 1 . 1 41 41 LYS HG3 H 1 1.498 0.000 . 2 . . . . . 134 LYS HG3 . 52022 1 379 . 1 . 1 41 41 LYS HD2 H 1 1.755 0.000 . 2 . . . . . 134 LYS HD2 . 52022 1 380 . 1 . 1 41 41 LYS HD3 H 1 1.741 0.000 . 2 . . . . . 134 LYS HD3 . 52022 1 381 . 1 . 1 41 41 LYS HE2 H 1 2.963 0.000 . 2 . . . . . 134 LYS HE2 . 52022 1 382 . 1 . 1 41 41 LYS HE3 H 1 2.965 0.000 . 2 . . . . . 134 LYS HE3 . 52022 1 383 . 1 . 1 41 41 LYS C C 13 177.392 0.000 . 1 . . . . . 134 LYS C . 52022 1 384 . 1 . 1 41 41 LYS CA C 13 58.653 0.000 . 1 . . . . . 134 LYS CA . 52022 1 385 . 1 . 1 41 41 LYS CB C 13 32.509 0.000 . 1 . . . . . 134 LYS CB . 52022 1 386 . 1 . 1 41 41 LYS N N 15 127.519 0.062 . 1 . . . . . 134 LYS N . 52022 1 387 . 1 . 1 42 42 VAL H H 1 8.450 0.018 . 1 . . . . . 135 VAL H . 52022 1 388 . 1 . 1 42 42 VAL HA H 1 3.812 0.000 . 1 . . . . . 135 VAL HA . 52022 1 389 . 1 . 1 42 42 VAL HB H 1 2.198 0.000 . 1 . . . . . 135 VAL HB . 52022 1 390 . 1 . 1 42 42 VAL HG11 H 1 0.899 0.000 . 2 . . . . . 135 VAL HG11 . 52022 1 391 . 1 . 1 42 42 VAL HG12 H 1 0.899 0.000 . 2 . . . . . 135 VAL HG12 . 52022 1 392 . 1 . 1 42 42 VAL HG13 H 1 0.899 0.000 . 2 . . . . . 135 VAL HG13 . 52022 1 393 . 1 . 1 42 42 VAL HG21 H 1 0.879 0.000 . 2 . . . . . 135 VAL HG21 . 52022 1 394 . 1 . 1 42 42 VAL HG22 H 1 0.879 0.000 . 2 . . . . . 135 VAL HG22 . 52022 1 395 . 1 . 1 42 42 VAL HG23 H 1 0.879 0.000 . 2 . . . . . 135 VAL HG23 . 52022 1 396 . 1 . 1 42 42 VAL C C 13 178.136 0.000 . 1 . . . . . 135 VAL C . 52022 1 397 . 1 . 1 42 42 VAL CA C 13 65.506 0.000 . 1 . . . . . 135 VAL CA . 52022 1 398 . 1 . 1 42 42 VAL CB C 13 32.139 0.000 . 1 . . . . . 135 VAL CB . 52022 1 399 . 1 . 1 42 42 VAL N N 15 119.096 0.083 . 1 . . . . . 135 VAL N . 52022 1 400 . 1 . 1 43 43 THR H H 1 8.055 0.023 . 1 . . . . . 136 THR H . 52022 1 401 . 1 . 1 43 43 THR HA H 1 4.262 0.000 . 1 . . . . . 136 THR HA . 52022 1 402 . 1 . 1 43 43 THR HB H 1 4.238 0.000 . 1 . . . . . 136 THR HB . 52022 1 403 . 1 . 1 43 43 THR HG21 H 1 1.171 0.000 . 1 . . . . . 136 THR HG21 . 52022 1 404 . 1 . 1 43 43 THR HG22 H 1 1.171 0.000 . 1 . . . . . 136 THR HG22 . 52022 1 405 . 1 . 1 43 43 THR HG23 H 1 1.171 0.000 . 1 . . . . . 136 THR HG23 . 52022 1 406 . 1 . 1 43 43 THR C C 13 176.798 0.000 . 1 . . . . . 136 THR C . 52022 1 407 . 1 . 1 43 43 THR CA C 13 62.418 0.000 . 1 . . . . . 136 THR CA . 52022 1 408 . 1 . 1 43 43 THR CB C 13 70.811 0.000 . 1 . . . . . 136 THR CB . 52022 1 409 . 1 . 1 43 43 THR N N 15 107.800 0.102 . 1 . . . . . 136 THR N . 52022 1 410 . 1 . 1 44 44 GLY H H 1 8.125 0.008 . 1 . . . . . 137 GLY H . 52022 1 411 . 1 . 1 44 44 GLY HA2 H 1 4.080 0.000 . 2 . . . . . 137 GLY HA2 . 52022 1 412 . 1 . 1 44 44 GLY HA3 H 1 3.734 0.000 . 2 . . . . . 137 GLY HA3 . 52022 1 413 . 1 . 1 44 44 GLY C C 13 173.678 0.000 . 1 . . . . . 137 GLY C . 52022 1 414 . 1 . 1 44 44 GLY CA C 13 45.680 0.000 . 1 . . . . . 137 GLY CA . 52022 1 415 . 1 . 1 44 44 GLY N N 15 110.607 0.049 . 1 . . . . . 137 GLY N . 52022 1 416 . 1 . 1 45 45 ARG H H 1 7.717 0.022 . 1 . . . . . 138 ARG H . 52022 1 417 . 1 . 1 45 45 ARG HA H 1 4.351 0.000 . 1 . . . . . 138 ARG HA . 52022 1 418 . 1 . 1 45 45 ARG HB2 H 1 1.631 0.000 . 2 . . . . . 138 ARG HB2 . 52022 1 419 . 1 . 1 45 45 ARG HB3 H 1 1.627 0.000 . 2 . . . . . 138 ARG HB3 . 52022 1 420 . 1 . 1 45 45 ARG HG2 H 1 1.603 0.000 . 2 . . . . . 138 ARG HG2 . 52022 1 421 . 1 . 1 45 45 ARG HG3 H 1 1.599 0.000 . 2 . . . . . 138 ARG HG3 . 52022 1 422 . 1 . 1 45 45 ARG HD2 H 1 3.016 0.000 . 2 . . . . . 138 ARG HD2 . 52022 1 423 . 1 . 1 45 45 ARG HD3 H 1 3.008 0.000 . 2 . . . . . 138 ARG HD3 . 52022 1 424 . 1 . 1 45 45 ARG C C 13 176.399 0.000 . 1 . . . . . 138 ARG C . 52022 1 425 . 1 . 1 45 45 ARG CA C 13 55.676 0.000 . 1 . . . . . 138 ARG CA . 52022 1 426 . 1 . 1 45 45 ARG CB C 13 31.660 0.000 . 1 . . . . . 138 ARG CB . 52022 1 427 . 1 . 1 45 45 ARG N N 15 119.348 0.159 . 1 . . . . . 138 ARG N . 52022 1 428 . 1 . 1 46 46 SER H H 1 8.976 0.015 . 1 . . . . . 139 SER H . 52022 1 429 . 1 . 1 46 46 SER HA H 1 3.815 0.000 . 1 . . . . . 139 SER HA . 52022 1 430 . 1 . 1 46 46 SER HB2 H 1 3.801 0.000 . 2 . . . . . 139 SER HB2 . 52022 1 431 . 1 . 1 46 46 SER HB3 H 1 3.790 0.000 . 2 . . . . . 139 SER HB3 . 52022 1 432 . 1 . 1 46 46 SER C C 13 176.255 0.000 . 1 . . . . . 139 SER C . 52022 1 433 . 1 . 1 46 46 SER CA C 13 58.490 0.000 . 1 . . . . . 139 SER CA . 52022 1 434 . 1 . 1 46 46 SER CB C 13 63.939 0.000 . 1 . . . . . 139 SER CB . 52022 1 435 . 1 . 1 46 46 SER N N 15 117.453 0.075 . 1 . . . . . 139 SER N . 52022 1 436 . 1 . 1 47 47 ARG H H 1 9.037 0.029 . 1 . . . . . 140 ARG H . 52022 1 437 . 1 . 1 47 47 ARG HA H 1 4.269 0.000 . 1 . . . . . 140 ARG HA . 52022 1 438 . 1 . 1 47 47 ARG HB2 H 1 1.536 0.000 . 2 . . . . . 140 ARG HB2 . 52022 1 439 . 1 . 1 47 47 ARG HB3 H 1 1.521 0.000 . 2 . . . . . 140 ARG HB3 . 52022 1 440 . 1 . 1 47 47 ARG HG2 H 1 0.957 0.000 . 2 . . . . . 140 ARG HG2 . 52022 1 441 . 1 . 1 47 47 ARG HG3 H 1 0.950 0.000 . 2 . . . . . 140 ARG HG3 . 52022 1 442 . 1 . 1 47 47 ARG HD2 H 1 2.111 0.000 . 2 . . . . . 140 ARG HD2 . 52022 1 443 . 1 . 1 47 47 ARG HD3 H 1 2.097 0.000 . 2 . . . . . 140 ARG HD3 . 52022 1 444 . 1 . 1 47 47 ARG C C 13 177.725 0.000 . 1 . . . . . 140 ARG C . 52022 1 445 . 1 . 1 47 47 ARG CA C 13 56.272 0.000 . 1 . . . . . 140 ARG CA . 52022 1 446 . 1 . 1 47 47 ARG CB C 13 30.268 0.000 . 1 . . . . . 140 ARG CB . 52022 1 447 . 1 . 1 47 47 ARG N N 15 123.435 0.079 . 1 . . . . . 140 ARG N . 52022 1 448 . 1 . 1 48 48 GLY H H 1 9.284 0.015 . 1 . . . . . 141 GLY H . 52022 1 449 . 1 . 1 48 48 GLY HA2 H 1 4.065 0.000 . 2 . . . . . 141 GLY HA2 . 52022 1 450 . 1 . 1 48 48 GLY HA3 H 1 3.376 0.000 . 2 . . . . . 141 GLY HA3 . 52022 1 451 . 1 . 1 48 48 GLY C C 13 172.472 0.000 . 1 . . . . . 141 GLY C . 52022 1 452 . 1 . 1 48 48 GLY CA C 13 45.851 0.000 . 1 . . . . . 141 GLY CA . 52022 1 453 . 1 . 1 48 48 GLY N N 15 107.799 0.149 . 1 . . . . . 141 GLY N . 52022 1 454 . 1 . 1 49 49 PHE H H 1 6.947 0.013 . 1 . . . . . 142 PHE H . 52022 1 455 . 1 . 1 49 49 PHE HA H 1 5.104 0.000 . 1 . . . . . 142 PHE HA . 52022 1 456 . 1 . 1 49 49 PHE HB2 H 1 3.069 0.000 . 2 . . . . . 142 PHE HB2 . 52022 1 457 . 1 . 1 49 49 PHE HB3 H 1 2.692 0.000 . 2 . . . . . 142 PHE HB3 . 52022 1 458 . 1 . 1 49 49 PHE C C 13 171.740 0.000 . 1 . . . . . 142 PHE C . 52022 1 459 . 1 . 1 49 49 PHE CA C 13 54.880 0.000 . 1 . . . . . 142 PHE CA . 52022 1 460 . 1 . 1 49 49 PHE CB C 13 41.578 0.000 . 1 . . . . . 142 PHE CB . 52022 1 461 . 1 . 1 49 49 PHE N N 15 112.552 0.138 . 1 . . . . . 142 PHE N . 52022 1 462 . 1 . 1 50 50 GLY H H 1 8.614 0.009 . 1 . . . . . 143 GLY H . 52022 1 463 . 1 . 1 50 50 GLY HA2 H 1 3.769 0.000 . 2 . . . . . 143 GLY HA2 . 52022 1 464 . 1 . 1 50 50 GLY HA3 H 1 3.730 0.000 . 2 . . . . . 143 GLY HA3 . 52022 1 465 . 1 . 1 50 50 GLY C C 13 169.358 0.000 . 1 . . . . . 143 GLY C . 52022 1 466 . 1 . 1 50 50 GLY CA C 13 45.282 0.000 . 1 . . . . . 143 GLY CA . 52022 1 467 . 1 . 1 50 50 GLY N N 15 105.764 0.043 . 1 . . . . . 143 GLY N . 52022 1 468 . 1 . 1 51 51 PHE H H 1 8.633 0.021 . 1 . . . . . 144 PHE H . 52022 1 469 . 1 . 1 51 51 PHE HA H 1 5.681 0.000 . 1 . . . . . 144 PHE HA . 52022 1 470 . 1 . 1 51 51 PHE HB2 H 1 2.672 0.000 . 2 . . . . . 144 PHE HB2 . 52022 1 471 . 1 . 1 51 51 PHE HB3 H 1 2.659 0.000 . 2 . . . . . 144 PHE HB3 . 52022 1 472 . 1 . 1 51 51 PHE C C 13 175.767 0.000 . 1 . . . . . 144 PHE C . 52022 1 473 . 1 . 1 51 51 PHE CA C 13 55.892 0.000 . 1 . . . . . 144 PHE CA . 52022 1 474 . 1 . 1 51 51 PHE CB C 13 43.834 0.000 . 1 . . . . . 144 PHE CB . 52022 1 475 . 1 . 1 51 51 PHE N N 15 113.722 0.082 . 1 . . . . . 144 PHE N . 52022 1 476 . 1 . 1 52 52 VAL H H 1 8.818 0.013 . 1 . . . . . 145 VAL H . 52022 1 477 . 1 . 1 52 52 VAL HA H 1 4.355 0.000 . 1 . . . . . 145 VAL HA . 52022 1 478 . 1 . 1 52 52 VAL HB H 1 1.237 0.000 . 1 . . . . . 145 VAL HB . 52022 1 479 . 1 . 1 52 52 VAL HG11 H 1 0.468 0.000 . 2 . . . . . 145 VAL HG11 . 52022 1 480 . 1 . 1 52 52 VAL HG12 H 1 0.468 0.000 . 2 . . . . . 145 VAL HG12 . 52022 1 481 . 1 . 1 52 52 VAL HG13 H 1 0.468 0.000 . 2 . . . . . 145 VAL HG13 . 52022 1 482 . 1 . 1 52 52 VAL HG21 H 1 -0.063 0.000 . 2 . . . . . 145 VAL HG21 . 52022 1 483 . 1 . 1 52 52 VAL HG22 H 1 -0.063 0.000 . 2 . . . . . 145 VAL HG22 . 52022 1 484 . 1 . 1 52 52 VAL HG23 H 1 -0.063 0.000 . 2 . . . . . 145 VAL HG23 . 52022 1 485 . 1 . 1 52 52 VAL C C 13 174.189 0.000 . 1 . . . . . 145 VAL C . 52022 1 486 . 1 . 1 52 52 VAL CA C 13 61.098 0.000 . 1 . . . . . 145 VAL CA . 52022 1 487 . 1 . 1 52 52 VAL CB C 13 35.063 0.000 . 1 . . . . . 145 VAL CB . 52022 1 488 . 1 . 1 52 52 VAL N N 15 123.490 0.134 . 1 . . . . . 145 VAL N . 52022 1 489 . 1 . 1 53 53 THR H H 1 9.050 0.009 . 1 . . . . . 146 THR H . 52022 1 490 . 1 . 1 53 53 THR HA H 1 4.097 0.000 . 1 . . . . . 146 THR HA . 52022 1 491 . 1 . 1 53 53 THR HB H 1 3.888 0.000 . 1 . . . . . 146 THR HB . 52022 1 492 . 1 . 1 53 53 THR HG1 H 1 4.996 0.000 . 1 . . . . . 146 THR HG1 . 52022 1 493 . 1 . 1 53 53 THR HG21 H 1 1.138 0.000 . 1 . . . . . 146 THR HG21 . 52022 1 494 . 1 . 1 53 53 THR HG22 H 1 1.138 0.000 . 1 . . . . . 146 THR HG22 . 52022 1 495 . 1 . 1 53 53 THR HG23 H 1 1.138 0.000 . 1 . . . . . 146 THR HG23 . 52022 1 496 . 1 . 1 53 53 THR C C 13 174.871 0.000 . 1 . . . . . 146 THR C . 52022 1 497 . 1 . 1 53 53 THR CA C 13 61.457 0.000 . 1 . . . . . 146 THR CA . 52022 1 498 . 1 . 1 53 53 THR CB C 13 69.755 0.000 . 1 . . . . . 146 THR CB . 52022 1 499 . 1 . 1 53 53 THR N N 15 124.465 0.046 . 1 . . . . . 146 THR N . 52022 1 500 . 1 . 1 54 54 MET H H 1 8.105 0.010 . 1 . . . . . 147 MET H . 52022 1 501 . 1 . 1 54 54 MET HA H 1 5.416 0.000 . 1 . . . . . 147 MET HA . 52022 1 502 . 1 . 1 54 54 MET HB2 H 1 2.285 0.000 . 2 . . . . . 147 MET HB2 . 52022 1 503 . 1 . 1 54 54 MET HB3 H 1 2.281 0.000 . 2 . . . . . 147 MET HB3 . 52022 1 504 . 1 . 1 54 54 MET HG2 H 1 2.313 0.000 . 2 . . . . . 147 MET HG2 . 52022 1 505 . 1 . 1 54 54 MET HG3 H 1 2.309 0.000 . 2 . . . . . 147 MET HG3 . 52022 1 506 . 1 . 1 54 54 MET HE1 H 1 1.874 0.000 . 1 . . . . . 147 MET HE1 . 52022 1 507 . 1 . 1 54 54 MET HE2 H 1 1.874 0.000 . 1 . . . . . 147 MET HE2 . 52022 1 508 . 1 . 1 54 54 MET HE3 H 1 1.874 0.000 . 1 . . . . . 147 MET HE3 . 52022 1 509 . 1 . 1 54 54 MET C C 13 175.792 0.000 . 1 . . . . . 147 MET C . 52022 1 510 . 1 . 1 54 54 MET CA C 13 52.357 0.000 . 1 . . . . . 147 MET CA . 52022 1 511 . 1 . 1 54 54 MET CB C 13 31.537 0.000 . 1 . . . . . 147 MET CB . 52022 1 512 . 1 . 1 54 54 MET N N 15 124.206 0.079 . 1 . . . . . 147 MET N . 52022 1 513 . 1 . 1 55 55 SER H H 1 8.205 0.002 . 1 . . . . . 148 SER H . 52022 1 514 . 1 . 1 55 55 SER HA H 1 4.018 0.000 . 1 . . . . . 148 SER HA . 52022 1 515 . 1 . 1 55 55 SER HB2 H 1 3.980 0.000 . 2 . . . . . 148 SER HB2 . 52022 1 516 . 1 . 1 55 55 SER HB3 H 1 3.971 0.000 . 2 . . . . . 148 SER HB3 . 52022 1 517 . 1 . 1 55 55 SER C C 13 175.241 0.000 . 1 . . . . . 148 SER C . 52022 1 518 . 1 . 1 55 55 SER CA C 13 61.431 0.000 . 1 . . . . . 148 SER CA . 52022 1 519 . 1 . 1 55 55 SER CB C 13 64.820 0.000 . 1 . . . . . 148 SER CB . 52022 1 520 . 1 . 1 55 55 SER N N 15 113.269 0.032 . 1 . . . . . 148 SER N . 52022 1 521 . 1 . 1 56 56 THR H H 1 7.670 0.003 . 1 . . . . . 149 THR H . 52022 1 522 . 1 . 1 56 56 THR HA H 1 4.510 0.000 . 1 . . . . . 149 THR HA . 52022 1 523 . 1 . 1 56 56 THR HG21 H 1 1.147 0.000 . 1 . . . . . 149 THR HG21 . 52022 1 524 . 1 . 1 56 56 THR HG22 H 1 1.147 0.000 . 1 . . . . . 149 THR HG22 . 52022 1 525 . 1 . 1 56 56 THR HG23 H 1 1.147 0.000 . 1 . . . . . 149 THR HG23 . 52022 1 526 . 1 . 1 56 56 THR C C 13 174.445 0.000 . 1 . . . . . 149 THR C . 52022 1 527 . 1 . 1 56 56 THR CA C 13 59.531 0.000 . 1 . . . . . 149 THR CA . 52022 1 528 . 1 . 1 56 56 THR CB C 13 73.290 0.000 . 1 . . . . . 149 THR CB . 52022 1 529 . 1 . 1 56 56 THR N N 15 110.006 0.037 . 1 . . . . . 149 THR N . 52022 1 530 . 1 . 1 57 57 ALA H H 1 8.942 0.004 . 1 . . . . . 150 ALA H . 52022 1 531 . 1 . 1 57 57 ALA HA H 1 3.998 0.000 . 1 . . . . . 150 ALA HA . 52022 1 532 . 1 . 1 57 57 ALA HB1 H 1 1.301 0.000 . 1 . . . . . 150 ALA HB1 . 52022 1 533 . 1 . 1 57 57 ALA HB2 H 1 1.301 0.000 . 1 . . . . . 150 ALA HB2 . 52022 1 534 . 1 . 1 57 57 ALA HB3 H 1 1.301 0.000 . 1 . . . . . 150 ALA HB3 . 52022 1 535 . 1 . 1 57 57 ALA C C 13 180.120 0.000 . 1 . . . . . 150 ALA C . 52022 1 536 . 1 . 1 57 57 ALA CA C 13 55.138 0.000 . 1 . . . . . 150 ALA CA . 52022 1 537 . 1 . 1 57 57 ALA CB C 13 17.988 0.000 . 1 . . . . . 150 ALA CB . 52022 1 538 . 1 . 1 57 57 ALA N N 15 124.433 0.075 . 1 . . . . . 150 ALA N . 52022 1 539 . 1 . 1 58 58 ALA H H 1 8.344 0.010 . 1 . . . . . 151 ALA H . 52022 1 540 . 1 . 1 58 58 ALA HA H 1 4.146 0.000 . 1 . . . . . 151 ALA HA . 52022 1 541 . 1 . 1 58 58 ALA HB1 H 1 1.381 0.000 . 1 . . . . . 151 ALA HB1 . 52022 1 542 . 1 . 1 58 58 ALA HB2 H 1 1.381 0.000 . 1 . . . . . 151 ALA HB2 . 52022 1 543 . 1 . 1 58 58 ALA HB3 H 1 1.381 0.000 . 1 . . . . . 151 ALA HB3 . 52022 1 544 . 1 . 1 58 58 ALA C C 13 181.277 0.000 . 1 . . . . . 151 ALA C . 52022 1 545 . 1 . 1 58 58 ALA CA C 13 55.056 0.000 . 1 . . . . . 151 ALA CA . 52022 1 546 . 1 . 1 58 58 ALA CB C 13 18.040 0.000 . 1 . . . . . 151 ALA CB . 52022 1 547 . 1 . 1 58 58 ALA N N 15 121.120 0.097 . 1 . . . . . 151 ALA N . 52022 1 548 . 1 . 1 59 59 GLU H H 1 7.676 0.003 . 1 . . . . . 152 GLU H . 52022 1 549 . 1 . 1 59 59 GLU HA H 1 4.034 0.000 . 1 . . . . . 152 GLU HA . 52022 1 550 . 1 . 1 59 59 GLU HB2 H 1 1.969 0.000 . 2 . . . . . 152 GLU HB2 . 52022 1 551 . 1 . 1 59 59 GLU HB3 H 1 1.956 0.000 . 2 . . . . . 152 GLU HB3 . 52022 1 552 . 1 . 1 59 59 GLU HG2 H 1 2.474 0.000 . 1 . . . . . 152 GLU HG2 . 52022 1 553 . 1 . 1 59 59 GLU C C 13 178.656 0.000 . 1 . . . . . 152 GLU C . 52022 1 554 . 1 . 1 59 59 GLU CA C 13 58.907 0.000 . 1 . . . . . 152 GLU CA . 52022 1 555 . 1 . 1 59 59 GLU CB C 13 30.658 0.000 . 1 . . . . . 152 GLU CB . 52022 1 556 . 1 . 1 59 59 GLU N N 15 119.207 0.033 . 1 . . . . . 152 GLU N . 52022 1 557 . 1 . 1 60 60 VAL H H 1 7.589 0.004 . 1 . . . . . 153 VAL H . 52022 1 558 . 1 . 1 60 60 VAL HA H 1 3.480 0.000 . 1 . . . . . 153 VAL HA . 52022 1 559 . 1 . 1 60 60 VAL HB H 1 2.359 0.000 . 1 . . . . . 153 VAL HB . 52022 1 560 . 1 . 1 60 60 VAL HG11 H 1 0.967 0.000 . 2 . . . . . 153 VAL HG11 . 52022 1 561 . 1 . 1 60 60 VAL HG12 H 1 0.967 0.000 . 2 . . . . . 153 VAL HG12 . 52022 1 562 . 1 . 1 60 60 VAL HG13 H 1 0.967 0.000 . 2 . . . . . 153 VAL HG13 . 52022 1 563 . 1 . 1 60 60 VAL HG21 H 1 0.950 0.000 . 2 . . . . . 153 VAL HG21 . 52022 1 564 . 1 . 1 60 60 VAL HG22 H 1 0.950 0.000 . 2 . . . . . 153 VAL HG22 . 52022 1 565 . 1 . 1 60 60 VAL HG23 H 1 0.950 0.000 . 2 . . . . . 153 VAL HG23 . 52022 1 566 . 1 . 1 60 60 VAL C C 13 177.340 0.000 . 1 . . . . . 153 VAL C . 52022 1 567 . 1 . 1 60 60 VAL CA C 13 67.211 0.000 . 1 . . . . . 153 VAL CA . 52022 1 568 . 1 . 1 60 60 VAL CB C 13 31.203 0.000 . 1 . . . . . 153 VAL CB . 52022 1 569 . 1 . 1 60 60 VAL N N 15 120.326 0.056 . 1 . . . . . 153 VAL N . 52022 1 570 . 1 . 1 61 61 GLU H H 1 7.594 0.004 . 1 . . . . . 154 GLU H . 52022 1 571 . 1 . 1 61 61 GLU HA H 1 3.879 0.000 . 1 . . . . . 154 GLU HA . 52022 1 572 . 1 . 1 61 61 GLU HB2 H 1 2.137 0.000 . 2 . . . . . 154 GLU HB2 . 52022 1 573 . 1 . 1 61 61 GLU HB3 H 1 2.121 0.000 . 2 . . . . . 154 GLU HB3 . 52022 1 574 . 1 . 1 61 61 GLU HG2 H 1 2.172 0.000 . 2 . . . . . 154 GLU HG2 . 52022 1 575 . 1 . 1 61 61 GLU HG3 H 1 2.156 0.000 . 2 . . . . . 154 GLU HG3 . 52022 1 576 . 1 . 1 61 61 GLU C C 13 179.232 0.000 . 1 . . . . . 154 GLU C . 52022 1 577 . 1 . 1 61 61 GLU CA C 13 59.319 0.000 . 1 . . . . . 154 GLU CA . 52022 1 578 . 1 . 1 61 61 GLU CB C 13 29.554 0.000 . 1 . . . . . 154 GLU CB . 52022 1 579 . 1 . 1 61 61 GLU N N 15 117.724 0.052 . 1 . . . . . 154 GLU N . 52022 1 580 . 1 . 1 62 62 ALA H H 1 7.919 0.005 . 1 . . . . . 155 ALA H . 52022 1 581 . 1 . 1 62 62 ALA HA H 1 4.069 0.000 . 1 . . . . . 155 ALA HA . 52022 1 582 . 1 . 1 62 62 ALA HB1 H 1 1.480 0.000 . 1 . . . . . 155 ALA HB1 . 52022 1 583 . 1 . 1 62 62 ALA HB2 H 1 1.480 0.000 . 1 . . . . . 155 ALA HB2 . 52022 1 584 . 1 . 1 62 62 ALA HB3 H 1 1.480 0.000 . 1 . . . . . 155 ALA HB3 . 52022 1 585 . 1 . 1 62 62 ALA C C 13 180.128 0.000 . 1 . . . . . 155 ALA C . 52022 1 586 . 1 . 1 62 62 ALA CA C 13 54.957 0.000 . 1 . . . . . 155 ALA CA . 52022 1 587 . 1 . 1 62 62 ALA CB C 13 18.294 0.000 . 1 . . . . . 155 ALA CB . 52022 1 588 . 1 . 1 62 62 ALA N N 15 121.121 0.036 . 1 . . . . . 155 ALA N . 52022 1 589 . 1 . 1 63 63 ALA H H 1 8.692 0.004 . 1 . . . . . 156 ALA H . 52022 1 590 . 1 . 1 63 63 ALA HA H 1 3.755 0.000 . 1 . . . . . 156 ALA HA . 52022 1 591 . 1 . 1 63 63 ALA HB1 H 1 1.571 0.000 . 1 . . . . . 156 ALA HB1 . 52022 1 592 . 1 . 1 63 63 ALA HB2 H 1 1.571 0.000 . 1 . . . . . 156 ALA HB2 . 52022 1 593 . 1 . 1 63 63 ALA HB3 H 1 1.571 0.000 . 1 . . . . . 156 ALA HB3 . 52022 1 594 . 1 . 1 63 63 ALA C C 13 179.156 0.000 . 1 . . . . . 156 ALA C . 52022 1 595 . 1 . 1 63 63 ALA CA C 13 54.988 0.000 . 1 . . . . . 156 ALA CA . 52022 1 596 . 1 . 1 63 63 ALA CB C 13 18.482 0.000 . 1 . . . . . 156 ALA CB . 52022 1 597 . 1 . 1 63 63 ALA N N 15 120.888 0.058 . 1 . . . . . 156 ALA N . 52022 1 598 . 1 . 1 64 64 ALA H H 1 8.287 0.006 . 1 . . . . . 157 ALA H . 52022 1 599 . 1 . 1 64 64 ALA HA H 1 3.886 0.000 . 1 . . . . . 157 ALA HA . 52022 1 600 . 1 . 1 64 64 ALA HB1 H 1 1.416 0.000 . 1 . . . . . 157 ALA HB1 . 52022 1 601 . 1 . 1 64 64 ALA HB2 H 1 1.416 0.000 . 1 . . . . . 157 ALA HB2 . 52022 1 602 . 1 . 1 64 64 ALA HB3 H 1 1.416 0.000 . 1 . . . . . 157 ALA HB3 . 52022 1 603 . 1 . 1 64 64 ALA C C 13 179.593 0.000 . 1 . . . . . 157 ALA C . 52022 1 604 . 1 . 1 64 64 ALA CA C 13 55.497 0.000 . 1 . . . . . 157 ALA CA . 52022 1 605 . 1 . 1 64 64 ALA CB C 13 17.570 0.000 . 1 . . . . . 157 ALA CB . 52022 1 606 . 1 . 1 64 64 ALA N N 15 119.850 0.042 . 1 . . . . . 157 ALA N . 52022 1 607 . 1 . 1 65 65 GLN H H 1 7.639 0.007 . 1 . . . . . 158 GLN H . 52022 1 608 . 1 . 1 65 65 GLN HA H 1 3.977 0.000 . 1 . . . . . 158 GLN HA . 52022 1 609 . 1 . 1 65 65 GLN HB2 H 1 2.121 0.000 . 2 . . . . . 158 GLN HB2 . 52022 1 610 . 1 . 1 65 65 GLN HB3 H 1 2.110 0.000 . 2 . . . . . 158 GLN HB3 . 52022 1 611 . 1 . 1 65 65 GLN HG2 H 1 2.387 0.000 . 2 . . . . . 158 GLN HG2 . 52022 1 612 . 1 . 1 65 65 GLN HG3 H 1 2.377 0.000 . 2 . . . . . 158 GLN HG3 . 52022 1 613 . 1 . 1 65 65 GLN C C 13 178.335 0.000 . 1 . . . . . 158 GLN C . 52022 1 614 . 1 . 1 65 65 GLN CA C 13 58.242 0.000 . 1 . . . . . 158 GLN CA . 52022 1 615 . 1 . 1 65 65 GLN CB C 13 28.558 0.000 . 1 . . . . . 158 GLN CB . 52022 1 616 . 1 . 1 65 65 GLN N N 15 115.200 0.061 . 1 . . . . . 158 GLN N . 52022 1 617 . 1 . 1 66 66 GLN H H 1 8.037 0.002 . 1 . . . . . 159 GLN H . 52022 1 618 . 1 . 1 66 66 GLN HA H 1 3.720 0.000 . 1 . . . . . 159 GLN HA . 52022 1 619 . 1 . 1 66 66 GLN HB2 H 1 1.276 0.000 . 2 . . . . . 159 GLN HB2 . 52022 1 620 . 1 . 1 66 66 GLN HB3 H 1 1.256 0.000 . 2 . . . . . 159 GLN HB3 . 52022 1 621 . 1 . 1 66 66 GLN HG2 H 1 1.541 0.000 . 2 . . . . . 159 GLN HG2 . 52022 1 622 . 1 . 1 66 66 GLN HG3 H 1 1.517 0.000 . 2 . . . . . 159 GLN HG3 . 52022 1 623 . 1 . 1 66 66 GLN C C 13 178.170 0.000 . 1 . . . . . 159 GLN C . 52022 1 624 . 1 . 1 66 66 GLN CA C 13 58.199 0.000 . 1 . . . . . 159 GLN CA . 52022 1 625 . 1 . 1 66 66 GLN CB C 13 28.648 0.000 . 1 . . . . . 159 GLN CB . 52022 1 626 . 1 . 1 66 66 GLN N N 15 117.060 0.054 . 1 . . . . . 159 GLN N . 52022 1 627 . 1 . 1 67 67 PHE H H 1 7.896 0.005 . 1 . . . . . 160 PHE H . 52022 1 628 . 1 . 1 67 67 PHE HA H 1 4.681 0.000 . 1 . . . . . 160 PHE HA . 52022 1 629 . 1 . 1 67 67 PHE HB2 H 1 2.926 0.000 . 2 . . . . . 160 PHE HB2 . 52022 1 630 . 1 . 1 67 67 PHE HB3 H 1 2.439 0.000 . 2 . . . . . 160 PHE HB3 . 52022 1 631 . 1 . 1 67 67 PHE C C 13 176.465 0.000 . 1 . . . . . 160 PHE C . 52022 1 632 . 1 . 1 67 67 PHE CA C 13 58.883 0.000 . 1 . . . . . 160 PHE CA . 52022 1 633 . 1 . 1 67 67 PHE CB C 13 39.893 0.000 . 1 . . . . . 160 PHE CB . 52022 1 634 . 1 . 1 67 67 PHE N N 15 111.373 0.055 . 1 . . . . . 160 PHE N . 52022 1 635 . 1 . 1 68 68 ASN H H 1 7.692 0.010 . 1 . . . . . 161 ASN H . 52022 1 636 . 1 . 1 68 68 ASN HA H 1 4.590 0.000 . 1 . . . . . 161 ASN HA . 52022 1 637 . 1 . 1 68 68 ASN HB2 H 1 3.121 0.000 . 2 . . . . . 161 ASN HB2 . 52022 1 638 . 1 . 1 68 68 ASN HB3 H 1 3.104 0.000 . 2 . . . . . 161 ASN HB3 . 52022 1 639 . 1 . 1 68 68 ASN C C 13 176.439 0.000 . 1 . . . . . 161 ASN C . 52022 1 640 . 1 . 1 68 68 ASN CA C 13 56.439 0.000 . 1 . . . . . 161 ASN CA . 52022 1 641 . 1 . 1 68 68 ASN CB C 13 38.253 0.000 . 1 . . . . . 161 ASN CB . 52022 1 642 . 1 . 1 68 68 ASN N N 15 118.349 0.056 . 1 . . . . . 161 ASN N . 52022 1 643 . 1 . 1 69 69 GLY H H 1 9.394 0.003 . 1 . . . . . 162 GLY H . 52022 1 644 . 1 . 1 69 69 GLY HA2 H 1 4.290 0.000 . 2 . . . . . 162 GLY HA2 . 52022 1 645 . 1 . 1 69 69 GLY HA3 H 1 3.527 0.000 . 2 . . . . . 162 GLY HA3 . 52022 1 646 . 1 . 1 69 69 GLY C C 13 172.668 0.000 . 1 . . . . . 162 GLY C . 52022 1 647 . 1 . 1 69 69 GLY CA C 13 45.643 0.000 . 1 . . . . . 162 GLY CA . 52022 1 648 . 1 . 1 69 69 GLY N N 15 119.364 0.056 . 1 . . . . . 162 GLY N . 52022 1 649 . 1 . 1 70 70 TYR H H 1 7.848 0.003 . 1 . . . . . 163 TYR H . 52022 1 650 . 1 . 1 70 70 TYR HA H 1 4.256 0.000 . 1 . . . . . 163 TYR HA . 52022 1 651 . 1 . 1 70 70 TYR HB2 H 1 3.254 0.000 . 2 . . . . . 163 TYR HB2 . 52022 1 652 . 1 . 1 70 70 TYR HB3 H 1 3.153 0.000 . 2 . . . . . 163 TYR HB3 . 52022 1 653 . 1 . 1 70 70 TYR C C 13 175.316 0.000 . 1 . . . . . 163 TYR C . 52022 1 654 . 1 . 1 70 70 TYR CA C 13 57.983 0.000 . 1 . . . . . 163 TYR CA . 52022 1 655 . 1 . 1 70 70 TYR CB C 13 40.472 0.000 . 1 . . . . . 163 TYR CB . 52022 1 656 . 1 . 1 70 70 TYR N N 15 123.639 0.062 . 1 . . . . . 163 TYR N . 52022 1 657 . 1 . 1 71 71 GLU H H 1 8.161 0.005 . 1 . . . . . 164 GLU H . 52022 1 658 . 1 . 1 71 71 GLU HA H 1 3.972 0.000 . 1 . . . . . 164 GLU HA . 52022 1 659 . 1 . 1 71 71 GLU HB2 H 1 1.674 0.000 . 2 . . . . . 164 GLU HB2 . 52022 1 660 . 1 . 1 71 71 GLU HB3 H 1 1.658 0.000 . 2 . . . . . 164 GLU HB3 . 52022 1 661 . 1 . 1 71 71 GLU HG2 H 1 1.714 0.000 . 2 . . . . . 164 GLU HG2 . 52022 1 662 . 1 . 1 71 71 GLU HG3 H 1 1.698 0.000 . 2 . . . . . 164 GLU HG3 . 52022 1 663 . 1 . 1 71 71 GLU C C 13 173.558 0.000 . 1 . . . . . 164 GLU C . 52022 1 664 . 1 . 1 71 71 GLU CA C 13 57.455 0.000 . 1 . . . . . 164 GLU CA . 52022 1 665 . 1 . 1 71 71 GLU CB C 13 29.050 0.000 . 1 . . . . . 164 GLU CB . 52022 1 666 . 1 . 1 71 71 GLU N N 15 129.341 0.042 . 1 . . . . . 164 GLU N . 52022 1 667 . 1 . 1 72 72 PHE H H 1 8.585 0.008 . 1 . . . . . 165 PHE H . 52022 1 668 . 1 . 1 72 72 PHE HA H 1 4.896 0.000 . 1 . . . . . 165 PHE HA . 52022 1 669 . 1 . 1 72 72 PHE HB2 H 1 2.968 0.000 . 2 . . . . . 165 PHE HB2 . 52022 1 670 . 1 . 1 72 72 PHE HB3 H 1 2.995 0.000 . 2 . . . . . 165 PHE HB3 . 52022 1 671 . 1 . 1 72 72 PHE C C 13 174.407 0.000 . 1 . . . . . 165 PHE C . 52022 1 672 . 1 . 1 72 72 PHE CA C 13 56.301 0.000 . 1 . . . . . 165 PHE CA . 52022 1 673 . 1 . 1 72 72 PHE CB C 13 42.278 0.000 . 1 . . . . . 165 PHE CB . 52022 1 674 . 1 . 1 72 72 PHE N N 15 128.895 0.056 . 1 . . . . . 165 PHE N . 52022 1 675 . 1 . 1 73 73 GLU H H 1 9.243 0.010 . 1 . . . . . 166 GLU H . 52022 1 676 . 1 . 1 73 73 GLU HA H 1 3.447 0.000 . 1 . . . . . 166 GLU HA . 52022 1 677 . 1 . 1 73 73 GLU HB2 H 1 1.403 0.000 . 2 . . . . . 166 GLU HB2 . 52022 1 678 . 1 . 1 73 73 GLU HB3 H 1 1.390 0.000 . 2 . . . . . 166 GLU HB3 . 52022 1 679 . 1 . 1 73 73 GLU HG2 H 1 1.962 0.000 . 2 . . . . . 166 GLU HG2 . 52022 1 680 . 1 . 1 73 73 GLU HG3 H 1 1.985 0.000 . 2 . . . . . 166 GLU HG3 . 52022 1 681 . 1 . 1 73 73 GLU C C 13 176.732 0.000 . 1 . . . . . 166 GLU C . 52022 1 682 . 1 . 1 73 73 GLU CA C 13 56.306 0.000 . 1 . . . . . 166 GLU CA . 52022 1 683 . 1 . 1 73 73 GLU CB C 13 26.893 0.000 . 1 . . . . . 166 GLU CB . 52022 1 684 . 1 . 1 73 73 GLU N N 15 126.910 0.118 . 1 . . . . . 166 GLU N . 52022 1 685 . 1 . 1 74 74 GLY H H 1 8.386 0.006 . 1 . . . . . 167 GLY H . 52022 1 686 . 1 . 1 74 74 GLY HA2 H 1 4.038 0.000 . 2 . . . . . 167 GLY HA2 . 52022 1 687 . 1 . 1 74 74 GLY HA3 H 1 3.491 0.000 . 2 . . . . . 167 GLY HA3 . 52022 1 688 . 1 . 1 74 74 GLY C C 13 174.248 0.000 . 1 . . . . . 167 GLY C . 52022 1 689 . 1 . 1 74 74 GLY CA C 13 45.358 0.000 . 1 . . . . . 167 GLY CA . 52022 1 690 . 1 . 1 74 74 GLY N N 15 102.230 0.073 . 1 . . . . . 167 GLY N . 52022 1 691 . 1 . 1 75 75 ARG H H 1 7.457 0.007 . 1 . . . . . 168 ARG H . 52022 1 692 . 1 . 1 75 75 ARG C C 13 173.571 0.000 . 1 . . . . . 168 ARG C . 52022 1 693 . 1 . 1 75 75 ARG CA C 13 53.149 0.000 . 1 . . . . . 168 ARG CA . 52022 1 694 . 1 . 1 75 75 ARG CB C 13 33.098 0.000 . 1 . . . . . 168 ARG CB . 52022 1 695 . 1 . 1 75 75 ARG N N 15 118.982 0.073 . 1 . . . . . 168 ARG N . 52022 1 696 . 1 . 1 76 76 PRO HA H 1 4.434 0.000 . 1 . . . . . 169 PRO HA . 52022 1 697 . 1 . 1 76 76 PRO HB2 H 1 1.917 0.000 . 2 . . . . . 169 PRO HB2 . 52022 1 698 . 1 . 1 76 76 PRO HB3 H 1 1.911 0.000 . 2 . . . . . 169 PRO HB3 . 52022 1 699 . 1 . 1 76 76 PRO HG2 H 1 1.887 0.000 . 2 . . . . . 169 PRO HG2 . 52022 1 700 . 1 . 1 76 76 PRO HG3 H 1 1.884 0.000 . 2 . . . . . 169 PRO HG3 . 52022 1 701 . 1 . 1 76 76 PRO C C 13 176.952 0.000 . 1 . . . . . 169 PRO C . 52022 1 702 . 1 . 1 76 76 PRO CA C 13 61.331 0.000 . 1 . . . . . 169 PRO CA . 52022 1 703 . 1 . 1 76 76 PRO CB C 13 30.979 0.000 . 1 . . . . . 169 PRO CB . 52022 1 704 . 1 . 1 77 77 LEU H H 1 9.033 0.009 . 1 . . . . . 170 LEU H . 52022 1 705 . 1 . 1 77 77 LEU HA H 1 4.329 0.000 . 1 . . . . . 170 LEU HA . 52022 1 706 . 1 . 1 77 77 LEU HB2 H 1 2.514 0.000 . 2 . . . . . 170 LEU HB2 . 52022 1 707 . 1 . 1 77 77 LEU HB3 H 1 1.192 0.000 . 2 . . . . . 170 LEU HB3 . 52022 1 708 . 1 . 1 77 77 LEU HG H 1 1.182 0.000 . 1 . . . . . 170 LEU HG . 52022 1 709 . 1 . 1 77 77 LEU HD11 H 1 0.783 0.000 . 2 . . . . . 170 LEU HD11 . 52022 1 710 . 1 . 1 77 77 LEU HD12 H 1 0.783 0.000 . 2 . . . . . 170 LEU HD12 . 52022 1 711 . 1 . 1 77 77 LEU HD13 H 1 0.783 0.000 . 2 . . . . . 170 LEU HD13 . 52022 1 712 . 1 . 1 77 77 LEU HD21 H 1 0.774 0.000 . 2 . . . . . 170 LEU HD21 . 52022 1 713 . 1 . 1 77 77 LEU HD22 H 1 0.774 0.000 . 2 . . . . . 170 LEU HD22 . 52022 1 714 . 1 . 1 77 77 LEU HD23 H 1 0.774 0.000 . 2 . . . . . 170 LEU HD23 . 52022 1 715 . 1 . 1 77 77 LEU C C 13 177.825 0.000 . 1 . . . . . 170 LEU C . 52022 1 716 . 1 . 1 77 77 LEU CA C 13 55.710 0.000 . 1 . . . . . 170 LEU CA . 52022 1 717 . 1 . 1 77 77 LEU CB C 13 43.531 0.000 . 1 . . . . . 170 LEU CB . 52022 1 718 . 1 . 1 77 77 LEU N N 15 127.622 0.074 . 1 . . . . . 170 LEU N . 52022 1 719 . 1 . 1 78 78 ARG H H 1 7.851 0.017 . 1 . . . . . 171 ARG H . 52022 1 720 . 1 . 1 78 78 ARG HA H 1 4.891 0.000 . 1 . . . . . 171 ARG HA . 52022 1 721 . 1 . 1 78 78 ARG HB2 H 1 1.670 0.000 . 2 . . . . . 171 ARG HB2 . 52022 1 722 . 1 . 1 78 78 ARG HB3 H 1 1.666 0.000 . 2 . . . . . 171 ARG HB3 . 52022 1 723 . 1 . 1 78 78 ARG HG2 H 1 1.609 0.000 . 2 . . . . . 171 ARG HG2 . 52022 1 724 . 1 . 1 78 78 ARG HG3 H 1 1.604 0.000 . 2 . . . . . 171 ARG HG3 . 52022 1 725 . 1 . 1 78 78 ARG HD2 H 1 3.191 0.000 . 2 . . . . . 171 ARG HD2 . 52022 1 726 . 1 . 1 78 78 ARG HD3 H 1 3.187 0.000 . 2 . . . . . 171 ARG HD3 . 52022 1 727 . 1 . 1 78 78 ARG C C 13 174.639 0.000 . 1 . . . . . 171 ARG C . 52022 1 728 . 1 . 1 78 78 ARG CA C 13 54.815 0.000 . 1 . . . . . 171 ARG CA . 52022 1 729 . 1 . 1 78 78 ARG CB C 13 31.392 0.000 . 1 . . . . . 171 ARG CB . 52022 1 730 . 1 . 1 78 78 ARG N N 15 123.119 0.082 . 1 . . . . . 171 ARG N . 52022 1 731 . 1 . 1 79 79 VAL H H 1 8.659 0.008 . 1 . . . . . 172 VAL H . 52022 1 732 . 1 . 1 79 79 VAL HA H 1 5.403 0.000 . 1 . . . . . 172 VAL HA . 52022 1 733 . 1 . 1 79 79 VAL HB H 1 1.821 0.000 . 1 . . . . . 172 VAL HB . 52022 1 734 . 1 . 1 79 79 VAL HG11 H 1 1.037 0.000 . 2 . . . . . 172 VAL HG11 . 52022 1 735 . 1 . 1 79 79 VAL HG12 H 1 1.037 0.000 . 2 . . . . . 172 VAL HG12 . 52022 1 736 . 1 . 1 79 79 VAL HG13 H 1 1.037 0.000 . 2 . . . . . 172 VAL HG13 . 52022 1 737 . 1 . 1 79 79 VAL HG21 H 1 1.007 0.000 . 2 . . . . . 172 VAL HG21 . 52022 1 738 . 1 . 1 79 79 VAL HG22 H 1 1.007 0.000 . 2 . . . . . 172 VAL HG22 . 52022 1 739 . 1 . 1 79 79 VAL HG23 H 1 1.007 0.000 . 2 . . . . . 172 VAL HG23 . 52022 1 740 . 1 . 1 79 79 VAL C C 13 174.726 0.000 . 1 . . . . . 172 VAL C . 52022 1 741 . 1 . 1 79 79 VAL CA C 13 60.890 0.000 . 1 . . . . . 172 VAL CA . 52022 1 742 . 1 . 1 79 79 VAL CB C 13 34.982 0.000 . 1 . . . . . 172 VAL CB . 52022 1 743 . 1 . 1 79 79 VAL N N 15 124.707 0.096 . 1 . . . . . 172 VAL N . 52022 1 744 . 1 . 1 80 80 ASN H H 1 8.983 0.007 . 1 . . . . . 173 ASN H . 52022 1 745 . 1 . 1 80 80 ASN HA H 1 4.848 0.000 . 1 . . . . . 173 ASN HA . 52022 1 746 . 1 . 1 80 80 ASN HB2 H 1 2.816 0.000 . 2 . . . . . 173 ASN HB2 . 52022 1 747 . 1 . 1 80 80 ASN HB3 H 1 2.745 0.000 . 2 . . . . . 173 ASN HB3 . 52022 1 748 . 1 . 1 80 80 ASN C C 13 172.983 0.000 . 1 . . . . . 173 ASN C . 52022 1 749 . 1 . 1 80 80 ASN CA C 13 52.650 0.000 . 1 . . . . . 173 ASN CA . 52022 1 750 . 1 . 1 80 80 ASN CB C 13 41.980 0.000 . 1 . . . . . 173 ASN CB . 52022 1 751 . 1 . 1 80 80 ASN N N 15 122.442 0.075 . 1 . . . . . 173 ASN N . 52022 1 752 . 1 . 1 81 81 ALA H H 1 8.881 0.012 . 1 . . . . . 174 ALA H . 52022 1 753 . 1 . 1 81 81 ALA HA H 1 4.624 0.000 . 1 . . . . . 174 ALA HA . 52022 1 754 . 1 . 1 81 81 ALA HB1 H 1 1.339 0.000 . 1 . . . . . 174 ALA HB1 . 52022 1 755 . 1 . 1 81 81 ALA HB2 H 1 1.339 0.000 . 1 . . . . . 174 ALA HB2 . 52022 1 756 . 1 . 1 81 81 ALA HB3 H 1 1.339 0.000 . 1 . . . . . 174 ALA HB3 . 52022 1 757 . 1 . 1 81 81 ALA C C 13 177.348 0.000 . 1 . . . . . 174 ALA C . 52022 1 758 . 1 . 1 81 81 ALA CA C 13 52.294 0.000 . 1 . . . . . 174 ALA CA . 52022 1 759 . 1 . 1 81 81 ALA CB C 13 19.695 0.000 . 1 . . . . . 174 ALA CB . 52022 1 760 . 1 . 1 81 81 ALA N N 15 125.321 0.319 . 1 . . . . . 174 ALA N . 52022 1 761 . 1 . 1 82 82 GLY H H 1 8.514 0.010 . 1 . . . . . 175 GLY H . 52022 1 762 . 1 . 1 82 82 GLY C C 13 170.470 0.000 . 1 . . . . . 175 GLY C . 52022 1 763 . 1 . 1 82 82 GLY CA C 13 44.918 0.000 . 1 . . . . . 175 GLY CA . 52022 1 764 . 1 . 1 82 82 GLY N N 15 109.861 0.064 . 1 . . . . . 175 GLY N . 52022 1 stop_ save_