data_26887 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26887 _Entry.Title ; Complete 1H 13C 15N chemical shift assignments of Mycobacterial Heparin-Binding Hemagglutinin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-09-06 _Entry.Accession_date 2016-09-06 _Entry.Last_release_date 2016-09-06 _Entry.Original_release_date 2016-09-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Irene Deli . . . . 26887 2 Tzu-Jui Tai . . . . 26887 3 Shih-Han Lain . . . . 26887 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Dong Hwa Univ' . 26887 2 . 'Academia Sinica' . 26887 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26887 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 373 26887 '15N chemical shifts' 84 26887 '1H chemical shifts' 604 26887 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 . . 2017-08-11 . original BMRB . 26887 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26888 'HBHA and Heparin' 26887 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 26887 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22587381 _Citation.Full_citation . _Citation.Title ; alpha-Glycosylation by D-glucosamine-derived donors: synthesis of heparosan and heparin analogues that interact with mycobacterial heparin-binding hemagglutinin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 134 _Citation.Journal_issue 21 _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 8988 _Citation.Page_last 8995 _Citation.Year 2012 _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 Medel Zulueta . M. . . 26887 1 2 Shu-Yi Lin . . . . 26887 1 3 Ya-Ting Lin . . . . 26887 1 4 Ching-Jui Huang . . . . 26887 1 5 Chun-Chih Wang . . . . 26887 1 6 Chiao-Chu Ku . . . . 26887 1 7 Zhonghao Shi . . . . 26887 1 8 Chia-Lin Chyan . . . . 26887 1 9 Deli Irene . . . . 26887 1 10 Liang-Hin Lim . . . . 26887 1 11 Tsung-I Tsai . . . . 26887 1 12 Yu-Peng Hu . . . . 26887 1 13 Susan Arco . D. . . 26887 1 14 Chi-Huey Wong . . . . 26887 1 15 Shang-Cheng Hung . . . . 26887 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Hemagglutinin 26887 1 NMR 26887 1 heparin 26887 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26887 _Assembly.ID 1 _Assembly.Name HBHA110-199 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 HBHA110-199 1 $HBHA110-199 A . yes native no no . . . 26887 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HBHA110-199 _Entity.Sf_category entity _Entity.Sf_framecode HBHA110-199 _Entity.Entry_ID 26887 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HBHA110-199 _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 ; RSQQSFEEVSARAEGYVDQA VELTQEALGTVASQTRAVGE RAAKLVGIELPKKAAPAKKA APAKKAAPAKKAAAKKAPAK KAAAKKVTQK ; _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 90 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 110 ARG . 26887 1 2 111 SER . 26887 1 3 112 GLN . 26887 1 4 113 GLN . 26887 1 5 114 SER . 26887 1 6 115 PHE . 26887 1 7 116 GLU . 26887 1 8 117 GLU . 26887 1 9 118 VAL . 26887 1 10 119 SER . 26887 1 11 120 ALA . 26887 1 12 121 ARG . 26887 1 13 122 ALA . 26887 1 14 123 GLU . 26887 1 15 124 GLY . 26887 1 16 125 TYR . 26887 1 17 126 VAL . 26887 1 18 127 ASP . 26887 1 19 128 GLN . 26887 1 20 129 ALA . 26887 1 21 130 VAL . 26887 1 22 131 GLU . 26887 1 23 132 LEU . 26887 1 24 133 THR . 26887 1 25 134 GLN . 26887 1 26 135 GLU . 26887 1 27 136 ALA . 26887 1 28 137 LEU . 26887 1 29 138 GLY . 26887 1 30 139 THR . 26887 1 31 140 VAL . 26887 1 32 141 ALA . 26887 1 33 142 SER . 26887 1 34 143 GLN . 26887 1 35 144 THR . 26887 1 36 145 ARG . 26887 1 37 146 ALA . 26887 1 38 147 VAL . 26887 1 39 148 GLY . 26887 1 40 149 GLU . 26887 1 41 150 ARG . 26887 1 42 151 ALA . 26887 1 43 152 ALA . 26887 1 44 153 LYS . 26887 1 45 154 LEU . 26887 1 46 155 VAL . 26887 1 47 156 GLY . 26887 1 48 157 ILE . 26887 1 49 158 GLU . 26887 1 50 159 LEU . 26887 1 51 160 PRO . 26887 1 52 161 LYS . 26887 1 53 162 LYS . 26887 1 54 163 ALA . 26887 1 55 164 ALA . 26887 1 56 165 PRO . 26887 1 57 166 ALA . 26887 1 58 167 LYS . 26887 1 59 168 LYS . 26887 1 60 169 ALA . 26887 1 61 170 ALA . 26887 1 62 171 PRO . 26887 1 63 172 ALA . 26887 1 64 173 LYS . 26887 1 65 174 LYS . 26887 1 66 175 ALA . 26887 1 67 176 ALA . 26887 1 68 177 PRO . 26887 1 69 178 ALA . 26887 1 70 179 LYS . 26887 1 71 180 LYS . 26887 1 72 181 ALA . 26887 1 73 182 ALA . 26887 1 74 183 ALA . 26887 1 75 184 LYS . 26887 1 76 185 LYS . 26887 1 77 186 ALA . 26887 1 78 187 PRO . 26887 1 79 188 ALA . 26887 1 80 189 LYS . 26887 1 81 190 LYS . 26887 1 82 191 ALA . 26887 1 83 192 ALA . 26887 1 84 193 ALA . 26887 1 85 194 LYS . 26887 1 86 195 LYS . 26887 1 87 196 VAL . 26887 1 88 197 THR . 26887 1 89 198 GLN . 26887 1 90 199 LYS . 26887 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 . ARG 1 1 26887 1 . SER 2 2 26887 1 . GLN 3 3 26887 1 . GLN 4 4 26887 1 . SER 5 5 26887 1 . PHE 6 6 26887 1 . GLU 7 7 26887 1 . GLU 8 8 26887 1 . VAL 9 9 26887 1 . SER 10 10 26887 1 . ALA 11 11 26887 1 . ARG 12 12 26887 1 . ALA 13 13 26887 1 . GLU 14 14 26887 1 . GLY 15 15 26887 1 . TYR 16 16 26887 1 . VAL 17 17 26887 1 . ASP 18 18 26887 1 . GLN 19 19 26887 1 . ALA 20 20 26887 1 . VAL 21 21 26887 1 . GLU 22 22 26887 1 . LEU 23 23 26887 1 . THR 24 24 26887 1 . GLN 25 25 26887 1 . GLU 26 26 26887 1 . ALA 27 27 26887 1 . LEU 28 28 26887 1 . GLY 29 29 26887 1 . THR 30 30 26887 1 . VAL 31 31 26887 1 . ALA 32 32 26887 1 . SER 33 33 26887 1 . GLN 34 34 26887 1 . THR 35 35 26887 1 . ARG 36 36 26887 1 . ALA 37 37 26887 1 . VAL 38 38 26887 1 . GLY 39 39 26887 1 . GLU 40 40 26887 1 . ARG 41 41 26887 1 . ALA 42 42 26887 1 . ALA 43 43 26887 1 . LYS 44 44 26887 1 . LEU 45 45 26887 1 . VAL 46 46 26887 1 . GLY 47 47 26887 1 . ILE 48 48 26887 1 . GLU 49 49 26887 1 . LEU 50 50 26887 1 . PRO 51 51 26887 1 . LYS 52 52 26887 1 . LYS 53 53 26887 1 . ALA 54 54 26887 1 . ALA 55 55 26887 1 . PRO 56 56 26887 1 . ALA 57 57 26887 1 . LYS 58 58 26887 1 . LYS 59 59 26887 1 . ALA 60 60 26887 1 . ALA 61 61 26887 1 . PRO 62 62 26887 1 . ALA 63 63 26887 1 . LYS 64 64 26887 1 . LYS 65 65 26887 1 . ALA 66 66 26887 1 . ALA 67 67 26887 1 . PRO 68 68 26887 1 . ALA 69 69 26887 1 . LYS 70 70 26887 1 . LYS 71 71 26887 1 . ALA 72 72 26887 1 . ALA 73 73 26887 1 . ALA 74 74 26887 1 . LYS 75 75 26887 1 . LYS 76 76 26887 1 . ALA 77 77 26887 1 . PRO 78 78 26887 1 . ALA 79 79 26887 1 . LYS 80 80 26887 1 . LYS 81 81 26887 1 . ALA 82 82 26887 1 . ALA 83 83 26887 1 . ALA 84 84 26887 1 . LYS 85 85 26887 1 . LYS 86 86 26887 1 . VAL 87 87 26887 1 . THR 88 88 26887 1 . GLN 89 89 26887 1 . LYS 90 90 26887 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26887 _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 $HBHA110-199 . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . 26887 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26887 _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 $HBHA110-199 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . pET . . . 26887 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26887 _Sample.ID 1 _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 'HBHA 110-199' '[U-99% 13C; U-99% 15N]' . . 1 $HBHA110-199 . . 300 200 400 uM . . . . 26887 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 26887 _Sample_condition_list.ID 1 _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' 0.1 . M 26887 1 pH 6.5 . pH 26887 1 pressure 1 . atm 26887 1 temperature 278 . K 26887 1 stop_ save_ ############################ # Computer software used # ############################ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 26887 _Software.ID 1 _Software.Name AURELIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer' . . 26887 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26887 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26887 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26887 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26887 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 26887 1 2 spectrometer_2 Bruker Avance . 600 . . . 26887 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26887 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26887 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26887 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26887 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26887 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26887 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26887 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26887 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 26887 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26887 _Chem_shift_reference.ID 1 _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 internal indirect 0.251449530 . . . . . 26887 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26887 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 26887 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26887 _Assigned_chem_shift_list.ID 1 _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 $chemical_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' . . . 26887 1 2 '2D 1H-13C HSQC' . . . 26887 1 3 '3D CBCA(CO)NH' . . . 26887 1 4 '3D HNCACB' . . . 26887 1 5 '3D C(CO)NH' . . . 26887 1 6 '3D HBHA(CO)NH' . . . 26887 1 7 '3D HCCH-TOCSY' . . . 26887 1 8 '3D HNCO' . . . 26887 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 8.434 0.010 . 1 . . . . 111 SER H . 26887 1 2 . 1 1 2 2 SER HA H 1 4.375 0.010 . 1 . . . . 111 SER HA . 26887 1 3 . 1 1 2 2 SER HB2 H 1 3.842 0.010 . 2 . . . . 111 SER HB2 . 26887 1 4 . 1 1 2 2 SER HB3 H 1 3.842 0.010 . 2 . . . . 111 SER HB3 . 26887 1 5 . 1 1 2 2 SER C C 13 176.527 0.050 . 1 . . . . 111 SER C . 26887 1 6 . 1 1 2 2 SER CA C 13 58.362 0.050 . 1 . . . . 111 SER CA . 26887 1 7 . 1 1 2 2 SER CB C 13 63.532 0.050 . 1 . . . . 111 SER CB . 26887 1 8 . 1 1 2 2 SER N N 15 117.085 0.050 . 1 . . . . 111 SER N . 26887 1 9 . 1 1 3 3 GLN H H 1 8.528 0.010 . 1 . . . . 112 GLN H . 26887 1 10 . 1 1 3 3 GLN HA H 1 4.296 0.010 . 1 . . . . 112 GLN HA . 26887 1 11 . 1 1 3 3 GLN HB2 H 1 2.097 0.010 . 2 . . . . 112 GLN HB2 . 26887 1 12 . 1 1 3 3 GLN HB3 H 1 1.982 0.010 . 2 . . . . 112 GLN HB3 . 26887 1 13 . 1 1 3 3 GLN HG2 H 1 2.352 0.010 . 2 . . . . 112 GLN HG2 . 26887 1 14 . 1 1 3 3 GLN HG3 H 1 2.352 0.010 . 2 . . . . 112 GLN HG3 . 26887 1 15 . 1 1 3 3 GLN C C 13 176.019 0.050 . 1 . . . . 112 GLN C . 26887 1 16 . 1 1 3 3 GLN CA C 13 56.021 0.050 . 1 . . . . 112 GLN CA . 26887 1 17 . 1 1 3 3 GLN CB C 13 29.184 0.050 . 1 . . . . 112 GLN CB . 26887 1 18 . 1 1 3 3 GLN CG C 13 33.700 0.050 . 1 . . . . 112 GLN CG . 26887 1 19 . 1 1 3 3 GLN N N 15 122.299 0.050 . 1 . . . . 112 GLN N . 26887 1 20 . 1 1 4 4 GLN H H 1 8.422 0.010 . 1 . . . . 113 GLN H . 26887 1 21 . 1 1 4 4 GLN HA H 1 4.272 0.010 . 1 . . . . 113 GLN HA . 26887 1 22 . 1 1 4 4 GLN HB2 H 1 1.985 0.010 . 2 . . . . 113 GLN HB2 . 26887 1 23 . 1 1 4 4 GLN HB3 H 1 1.890 0.010 . 2 . . . . 113 GLN HB3 . 26887 1 24 . 1 1 4 4 GLN HG2 H 1 2.330 0.010 . 2 . . . . 113 GLN HG2 . 26887 1 25 . 1 1 4 4 GLN HG3 H 1 2.330 0.010 . 2 . . . . 113 GLN HG3 . 26887 1 26 . 1 1 4 4 GLN C C 13 175.960 0.050 . 1 . . . . 113 GLN C . 26887 1 27 . 1 1 4 4 GLN CA C 13 56.018 0.050 . 1 . . . . 113 GLN CA . 26887 1 28 . 1 1 4 4 GLN CB C 13 29.591 0.050 . 1 . . . . 113 GLN CB . 26887 1 29 . 1 1 4 4 GLN CG C 13 33.770 0.050 . 1 . . . . 113 GLN CG . 26887 1 30 . 1 1 4 4 GLN N N 15 121.341 0.050 . 1 . . . . 113 GLN N . 26887 1 31 . 1 1 5 5 SER H H 1 8.403 0.010 . 1 . . . . 114 SER H . 26887 1 32 . 1 1 5 5 SER HA H 1 4.385 0.010 . 1 . . . . 114 SER HA . 26887 1 33 . 1 1 5 5 SER HB2 H 1 3.806 0.010 . 2 . . . . 114 SER HB2 . 26887 1 34 . 1 1 5 5 SER HB3 H 1 3.806 0.010 . 2 . . . . 114 SER HB3 . 26887 1 35 . 1 1 5 5 SER C C 13 174.293 0.050 . 1 . . . . 114 SER C . 26887 1 36 . 1 1 5 5 SER CA C 13 58.140 0.050 . 1 . . . . 114 SER CA . 26887 1 37 . 1 1 5 5 SER CB C 13 63.733 0.050 . 1 . . . . 114 SER CB . 26887 1 38 . 1 1 5 5 SER N N 15 117.348 0.050 . 1 . . . . 114 SER N . 26887 1 39 . 1 1 6 6 PHE H H 1 8.398 0.010 . 1 . . . . 115 PHE H . 26887 1 40 . 1 1 6 6 PHE HA H 1 4.554 0.010 . 1 . . . . 115 PHE HA . 26887 1 41 . 1 1 6 6 PHE HB2 H 1 3.113 0.010 . 2 . . . . 115 PHE HB2 . 26887 1 42 . 1 1 6 6 PHE HB3 H 1 3.024 0.010 . 2 . . . . 115 PHE HB3 . 26887 1 43 . 1 1 6 6 PHE C C 13 175.977 0.050 . 1 . . . . 115 PHE C . 26887 1 44 . 1 1 6 6 PHE CA C 13 58.297 0.050 . 1 . . . . 115 PHE CA . 26887 1 45 . 1 1 6 6 PHE CB C 13 39.413 0.050 . 1 . . . . 115 PHE CB . 26887 1 46 . 1 1 6 6 PHE N N 15 122.193 0.050 . 1 . . . . 115 PHE N . 26887 1 47 . 1 1 7 7 GLU H H 1 8.361 0.010 . 1 . . . . 116 GLU H . 26887 1 48 . 1 1 7 7 GLU HA H 1 4.157 0.010 . 1 . . . . 116 GLU HA . 26887 1 49 . 1 1 7 7 GLU HB2 H 1 1.957 0.010 . 2 . . . . 116 GLU HB2 . 26887 1 50 . 1 1 7 7 GLU HB3 H 1 1.884 0.010 . 2 . . . . 116 GLU HB3 . 26887 1 51 . 1 1 7 7 GLU HG2 H 1 2.260 0.010 . 2 . . . . 116 GLU HG2 . 26887 1 52 . 1 1 7 7 GLU HG3 H 1 2.200 0.010 . 2 . . . . 116 GLU HG3 . 26887 1 53 . 1 1 7 7 GLU C C 13 176.428 0.050 . 1 . . . . 116 GLU C . 26887 1 54 . 1 1 7 7 GLU CA C 13 56.775 0.050 . 1 . . . . 116 GLU CA . 26887 1 55 . 1 1 7 7 GLU CB C 13 30.073 0.050 . 1 . . . . 116 GLU CB . 26887 1 56 . 1 1 7 7 GLU CG C 13 36.100 0.050 . 1 . . . . 116 GLU CG . 26887 1 57 . 1 1 7 7 GLU N N 15 122.008 0.050 . 1 . . . . 116 GLU N . 26887 1 58 . 1 1 8 8 GLU H H 1 8.347 0.010 . 1 . . . . 117 GLU H . 26887 1 59 . 1 1 8 8 GLU HA H 1 4.204 0.010 . 1 . . . . 117 GLU HA . 26887 1 60 . 1 1 8 8 GLU HB2 H 1 1.982 0.010 . 2 . . . . 117 GLU HB2 . 26887 1 61 . 1 1 8 8 GLU HB3 H 1 1.982 0.010 . 2 . . . . 117 GLU HB3 . 26887 1 62 . 1 1 8 8 GLU HG2 H 1 2.259 0.010 . 2 . . . . 117 GLU HG2 . 26887 1 63 . 1 1 8 8 GLU HG3 H 1 2.259 0.010 . 2 . . . . 117 GLU HG3 . 26887 1 64 . 1 1 8 8 GLU C C 13 176.904 0.050 . 1 . . . . 117 GLU C . 26887 1 65 . 1 1 8 8 GLU CA C 13 56.758 0.050 . 1 . . . . 117 GLU CA . 26887 1 66 . 1 1 8 8 GLU CB C 13 29.810 0.050 . 1 . . . . 117 GLU CB . 26887 1 67 . 1 1 8 8 GLU CG C 13 36.100 0.050 . 1 . . . . 117 GLU CG . 26887 1 68 . 1 1 8 8 GLU N N 15 122.371 0.050 . 1 . . . . 117 GLU N . 26887 1 69 . 1 1 9 9 VAL H H 1 8.313 0.010 . 1 . . . . 118 VAL H . 26887 1 70 . 1 1 9 9 VAL HA H 1 3.982 0.010 . 1 . . . . 118 VAL HA . 26887 1 71 . 1 1 9 9 VAL HB H 1 2.043 0.010 . 1 . . . . 118 VAL HB . 26887 1 72 . 1 1 9 9 VAL HG11 H 1 0.918 0.010 . 2 . . . . 118 VAL MG1 . 26887 1 73 . 1 1 9 9 VAL HG12 H 1 0.918 0.010 . 2 . . . . 118 VAL MG1 . 26887 1 74 . 1 1 9 9 VAL HG13 H 1 0.918 0.010 . 2 . . . . 118 VAL MG1 . 26887 1 75 . 1 1 9 9 VAL HG21 H 1 0.918 0.010 . 2 . . . . 118 VAL MG2 . 26887 1 76 . 1 1 9 9 VAL HG22 H 1 0.918 0.010 . 2 . . . . 118 VAL MG2 . 26887 1 77 . 1 1 9 9 VAL HG23 H 1 0.918 0.010 . 2 . . . . 118 VAL MG2 . 26887 1 78 . 1 1 9 9 VAL C C 13 176.796 0.050 . 1 . . . . 118 VAL C . 26887 1 79 . 1 1 9 9 VAL CA C 13 63.008 0.050 . 1 . . . . 118 VAL CA . 26887 1 80 . 1 1 9 9 VAL CB C 13 32.465 0.050 . 1 . . . . 118 VAL CB . 26887 1 81 . 1 1 9 9 VAL CG1 C 13 20.715 0.050 . 1 . . . . 118 VAL CG1 . 26887 1 82 . 1 1 9 9 VAL CG2 C 13 20.715 0.050 . 1 . . . . 118 VAL CG2 . 26887 1 83 . 1 1 9 9 VAL N N 15 121.719 0.050 . 1 . . . . 118 VAL N . 26887 1 84 . 1 1 10 10 SER H H 1 8.385 0.010 . 1 . . . . 119 SER H . 26887 1 85 . 1 1 10 10 SER HA H 1 4.334 0.010 . 1 . . . . 119 SER HA . 26887 1 86 . 1 1 10 10 SER HB2 H 1 3.781 0.010 . 2 . . . . 119 SER HB2 . 26887 1 87 . 1 1 10 10 SER HB3 H 1 3.781 0.010 . 2 . . . . 119 SER HB3 . 26887 1 88 . 1 1 10 10 SER C C 13 174.443 0.050 . 1 . . . . 119 SER C . 26887 1 89 . 1 1 10 10 SER CA C 13 58.731 0.050 . 1 . . . . 119 SER CA . 26887 1 90 . 1 1 10 10 SER CB C 13 63.522 0.050 . 1 . . . . 119 SER CB . 26887 1 91 . 1 1 10 10 SER N N 15 119.124 0.050 . 1 . . . . 119 SER N . 26887 1 92 . 1 1 11 11 ALA H H 1 8.263 0.010 . 1 . . . . 120 ALA H . 26887 1 93 . 1 1 11 11 ALA HA H 1 4.227 0.010 . 1 . . . . 120 ALA HA . 26887 1 94 . 1 1 11 11 ALA HB1 H 1 1.340 0.010 . 1 . . . . 120 ALA MB . 26887 1 95 . 1 1 11 11 ALA HB2 H 1 1.340 0.010 . 1 . . . . 120 ALA MB . 26887 1 96 . 1 1 11 11 ALA HB3 H 1 1.340 0.010 . 1 . . . . 120 ALA MB . 26887 1 97 . 1 1 11 11 ALA C C 13 177.799 0.050 . 1 . . . . 120 ALA C . 26887 1 98 . 1 1 11 11 ALA CA C 13 52.558 0.050 . 1 . . . . 120 ALA CA . 26887 1 99 . 1 1 11 11 ALA CB C 13 18.935 0.050 . 1 . . . . 120 ALA CB . 26887 1 100 . 1 1 11 11 ALA N N 15 125.885 0.050 . 1 . . . . 120 ALA N . 26887 1 101 . 1 1 12 12 ARG H H 1 8.176 0.010 . 1 . . . . 121 ARG H . 26887 1 102 . 1 1 12 12 ARG HA H 1 4.202 0.010 . 1 . . . . 121 ARG HA . 26887 1 103 . 1 1 12 12 ARG HB2 H 1 1.743 0.010 . 2 . . . . 121 ARG HB2 . 26887 1 104 . 1 1 12 12 ARG HB3 H 1 1.743 0.010 . 2 . . . . 121 ARG HB3 . 26887 1 105 . 1 1 12 12 ARG HG2 H 1 1.560 0.010 . 2 . . . . 121 ARG HG2 . 26887 1 106 . 1 1 12 12 ARG HG3 H 1 1.560 0.010 . 2 . . . . 121 ARG HG3 . 26887 1 107 . 1 1 12 12 ARG HD2 H 1 3.020 0.010 . 2 . . . . 121 ARG HD2 . 26887 1 108 . 1 1 12 12 ARG HD3 H 1 3.020 0.010 . 2 . . . . 121 ARG HD3 . 26887 1 109 . 1 1 12 12 ARG C C 13 176.228 0.050 . 1 . . . . 121 ARG C . 26887 1 110 . 1 1 12 12 ARG CA C 13 56.021 0.050 . 1 . . . . 121 ARG CA . 26887 1 111 . 1 1 12 12 ARG CB C 13 30.745 0.050 . 1 . . . . 121 ARG CB . 26887 1 112 . 1 1 12 12 ARG CG C 13 26.773 0.050 . 1 . . . . 121 ARG CG . 26887 1 113 . 1 1 12 12 ARG CD C 13 43.154 0.050 . 1 . . . . 121 ARG CD . 26887 1 114 . 1 1 12 12 ARG N N 15 120.180 0.050 . 1 . . . . 121 ARG N . 26887 1 115 . 1 1 13 13 ALA H H 1 8.372 0.010 . 1 . . . . 122 ALA H . 26887 1 116 . 1 1 13 13 ALA HA H 1 4.249 0.010 . 1 . . . . 122 ALA HA . 26887 1 117 . 1 1 13 13 ALA HB1 H 1 1.373 0.010 . 1 . . . . 122 ALA MB . 26887 1 118 . 1 1 13 13 ALA HB2 H 1 1.373 0.010 . 1 . . . . 122 ALA MB . 26887 1 119 . 1 1 13 13 ALA HB3 H 1 1.373 0.010 . 1 . . . . 122 ALA MB . 26887 1 120 . 1 1 13 13 ALA C C 13 177.902 0.050 . 1 . . . . 122 ALA C . 26887 1 121 . 1 1 13 13 ALA CA C 13 52.483 0.050 . 1 . . . . 122 ALA CA . 26887 1 122 . 1 1 13 13 ALA CB C 13 18.967 0.050 . 1 . . . . 122 ALA CB . 26887 1 123 . 1 1 13 13 ALA N N 15 125.776 0.050 . 1 . . . . 122 ALA N . 26887 1 124 . 1 1 14 14 GLU H H 1 8.524 0.010 . 1 . . . . 123 GLU H . 26887 1 125 . 1 1 14 14 GLU HA H 1 4.202 0.010 . 1 . . . . 123 GLU HA . 26887 1 126 . 1 1 14 14 GLU HB2 H 1 1.951 0.010 . 2 . . . . 123 GLU HB2 . 26887 1 127 . 1 1 14 14 GLU HB3 H 1 2.002 0.010 . 2 . . . . 123 GLU HB3 . 26887 1 128 . 1 1 14 14 GLU HG2 H 1 2.256 0.010 . 2 . . . . 123 GLU HG2 . 26887 1 129 . 1 1 14 14 GLU HG3 H 1 2.256 0.010 . 2 . . . . 123 GLU HG3 . 26887 1 130 . 1 1 14 14 GLU C C 13 177.164 0.050 . 1 . . . . 123 GLU C . 26887 1 131 . 1 1 14 14 GLU CA C 13 56.724 0.050 . 1 . . . . 123 GLU CA . 26887 1 132 . 1 1 14 14 GLU CB C 13 29.975 0.050 . 1 . . . . 123 GLU CB . 26887 1 133 . 1 1 14 14 GLU CG C 13 36.100 0.050 . 1 . . . . 123 GLU CG . 26887 1 134 . 1 1 14 14 GLU N N 15 120.545 0.050 . 1 . . . . 123 GLU N . 26887 1 135 . 1 1 15 15 GLY H H 1 8.503 0.010 . 1 . . . . 124 GLY H . 26887 1 136 . 1 1 15 15 GLY HA2 H 1 3.923 0.010 . 2 . . . . 124 GLY HA2 . 26887 1 137 . 1 1 15 15 GLY HA3 H 1 3.849 0.010 . 2 . . . . 124 GLY HA3 . 26887 1 138 . 1 1 15 15 GLY C C 13 173.691 0.050 . 1 . . . . 124 GLY C . 26887 1 139 . 1 1 15 15 GLY CA C 13 45.000 0.050 . 1 . . . . 124 GLY CA . 26887 1 140 . 1 1 15 15 GLY N N 15 110.297 0.050 . 1 . . . . 124 GLY N . 26887 1 141 . 1 1 16 16 TYR H H 1 8.008 0.010 . 1 . . . . 125 TYR H . 26887 1 142 . 1 1 16 16 TYR HA H 1 4.440 0.010 . 1 . . . . 125 TYR HA . 26887 1 143 . 1 1 16 16 TYR HB2 H 1 3.002 0.010 . 2 . . . . 125 TYR HB2 . 26887 1 144 . 1 1 16 16 TYR HB3 H 1 2.908 0.010 . 2 . . . . 125 TYR HB3 . 26887 1 145 . 1 1 16 16 TYR C C 13 175.543 0.050 . 1 . . . . 125 TYR C . 26887 1 146 . 1 1 16 16 TYR CA C 13 58.373 0.050 . 1 . . . . 125 TYR CA . 26887 1 147 . 1 1 16 16 TYR CB C 13 38.872 0.050 . 1 . . . . 125 TYR CB . 26887 1 148 . 1 1 16 16 TYR N N 15 120.771 0.050 . 1 . . . . 125 TYR N . 26887 1 149 . 1 1 17 17 VAL H H 1 7.956 0.010 . 1 . . . . 126 VAL H . 26887 1 150 . 1 1 17 17 VAL HA H 1 3.959 0.010 . 1 . . . . 126 VAL HA . 26887 1 151 . 1 1 17 17 VAL HB H 1 1.879 0.010 . 1 . . . . 126 VAL HB . 26887 1 152 . 1 1 17 17 VAL HG11 H 1 0.833 0.010 . 2 . . . . 126 VAL MG1 . 26887 1 153 . 1 1 17 17 VAL HG12 H 1 0.833 0.010 . 2 . . . . 126 VAL MG1 . 26887 1 154 . 1 1 17 17 VAL HG13 H 1 0.833 0.010 . 2 . . . . 126 VAL MG1 . 26887 1 155 . 1 1 17 17 VAL HG21 H 1 0.813 0.010 . 2 . . . . 126 VAL MG2 . 26887 1 156 . 1 1 17 17 VAL HG22 H 1 0.813 0.010 . 2 . . . . 126 VAL MG2 . 26887 1 157 . 1 1 17 17 VAL HG23 H 1 0.813 0.010 . 2 . . . . 126 VAL MG2 . 26887 1 158 . 1 1 17 17 VAL C C 13 174.907 0.050 . 1 . . . . 126 VAL C . 26887 1 159 . 1 1 17 17 VAL CA C 13 61.627 0.050 . 1 . . . . 126 VAL CA . 26887 1 160 . 1 1 17 17 VAL CB C 13 33.445 0.050 . 1 . . . . 126 VAL CB . 26887 1 161 . 1 1 17 17 VAL CG1 C 13 20.415 0.050 . 1 . . . . 126 VAL CG1 . 26887 1 162 . 1 1 17 17 VAL CG2 C 13 20.915 0.050 . 1 . . . . 126 VAL CG2 . 26887 1 163 . 1 1 17 17 VAL N N 15 124.618 0.050 . 1 . . . . 126 VAL N . 26887 1 164 . 1 1 18 18 ASP H H 1 8.386 0.010 . 1 . . . . 127 ASP H . 26887 1 165 . 1 1 18 18 ASP HA H 1 4.459 0.010 . 1 . . . . 127 ASP HA . 26887 1 166 . 1 1 18 18 ASP HB2 H 1 2.703 0.010 . 2 . . . . 127 ASP HB2 . 26887 1 167 . 1 1 18 18 ASP HB3 H 1 2.562 0.010 . 2 . . . . 127 ASP HB3 . 26887 1 168 . 1 1 18 18 ASP C C 13 176.196 0.050 . 1 . . . . 127 ASP C . 26887 1 169 . 1 1 18 18 ASP CA C 13 54.171 0.050 . 1 . . . . 127 ASP CA . 26887 1 170 . 1 1 18 18 ASP CB C 13 41.150 0.050 . 1 . . . . 127 ASP CB . 26887 1 171 . 1 1 18 18 ASP N N 15 124.611 0.050 . 1 . . . . 127 ASP N . 26887 1 172 . 1 1 19 19 GLN H H 1 8.383 0.010 . 1 . . . . 128 GLN H . 26887 1 173 . 1 1 19 19 GLN HA H 1 4.225 0.010 . 1 . . . . 128 GLN HA . 26887 1 174 . 1 1 19 19 GLN HB2 H 1 2.087 0.010 . 2 . . . . 128 GLN HB2 . 26887 1 175 . 1 1 19 19 GLN HB3 H 1 1.929 0.010 . 2 . . . . 128 GLN HB3 . 26887 1 176 . 1 1 19 19 GLN HG2 H 1 2.350 0.010 . 2 . . . . 128 GLN HG2 . 26887 1 177 . 1 1 19 19 GLN HG3 H 1 2.350 0.010 . 2 . . . . 128 GLN HG3 . 26887 1 178 . 1 1 19 19 GLN C C 13 175.616 0.050 . 1 . . . . 128 GLN C . 26887 1 179 . 1 1 19 19 GLN CA C 13 55.901 0.050 . 1 . . . . 128 GLN CA . 26887 1 180 . 1 1 19 19 GLN CB C 13 29.380 0.050 . 1 . . . . 128 GLN CB . 26887 1 181 . 1 1 19 19 GLN CG C 13 33.500 0.050 . 1 . . . . 128 GLN CG . 26887 1 182 . 1 1 19 19 GLN N N 15 121.954 0.050 . 1 . . . . 128 GLN N . 26887 1 183 . 1 1 20 20 ALA H H 1 8.449 0.010 . 1 . . . . 129 ALA H . 26887 1 184 . 1 1 20 20 ALA HA H 1 4.273 0.010 . 1 . . . . 129 ALA HA . 26887 1 185 . 1 1 20 20 ALA HB1 H 1 1.361 0.010 . 1 . . . . 129 ALA MB . 26887 1 186 . 1 1 20 20 ALA HB2 H 1 1.361 0.010 . 1 . . . . 129 ALA MB . 26887 1 187 . 1 1 20 20 ALA HB3 H 1 1.361 0.010 . 1 . . . . 129 ALA MB . 26887 1 188 . 1 1 20 20 ALA C C 13 178.027 0.050 . 1 . . . . 129 ALA C . 26887 1 189 . 1 1 20 20 ALA CA C 13 52.732 0.050 . 1 . . . . 129 ALA CA . 26887 1 190 . 1 1 20 20 ALA CB C 13 18.960 0.050 . 1 . . . . 129 ALA CB . 26887 1 191 . 1 1 20 20 ALA N N 15 125.406 0.050 . 1 . . . . 129 ALA N . 26887 1 192 . 1 1 21 21 VAL H H 1 8.102 0.010 . 1 . . . . 130 VAL H . 26887 1 193 . 1 1 21 21 VAL HA H 1 4.014 0.010 . 1 . . . . 130 VAL HA . 26887 1 194 . 1 1 21 21 VAL HB H 1 2.034 0.010 . 1 . . . . 130 VAL HB . 26887 1 195 . 1 1 21 21 VAL HG11 H 1 0.914 0.010 . 2 . . . . 130 VAL MG1 . 26887 1 196 . 1 1 21 21 VAL HG12 H 1 0.914 0.010 . 2 . . . . 130 VAL MG1 . 26887 1 197 . 1 1 21 21 VAL HG13 H 1 0.914 0.010 . 2 . . . . 130 VAL MG1 . 26887 1 198 . 1 1 21 21 VAL HG21 H 1 0.914 0.010 . 2 . . . . 130 VAL MG2 . 26887 1 199 . 1 1 21 21 VAL HG22 H 1 0.914 0.010 . 2 . . . . 130 VAL MG2 . 26887 1 200 . 1 1 21 21 VAL HG23 H 1 0.914 0.010 . 2 . . . . 130 VAL MG2 . 26887 1 201 . 1 1 21 21 VAL C C 13 176.313 0.050 . 1 . . . . 130 VAL C . 26887 1 202 . 1 1 21 21 VAL CA C 13 62.351 0.050 . 1 . . . . 130 VAL CA . 26887 1 203 . 1 1 21 21 VAL CB C 13 32.773 0.050 . 1 . . . . 130 VAL CB . 26887 1 204 . 1 1 21 21 VAL CG1 C 13 20.740 0.050 . 1 . . . . 130 VAL CG1 . 26887 1 205 . 1 1 21 21 VAL CG2 C 13 20.740 0.050 . 1 . . . . 130 VAL CG2 . 26887 1 206 . 1 1 21 21 VAL N N 15 119.810 0.050 . 1 . . . . 130 VAL N . 26887 1 207 . 1 1 22 22 GLU H H 1 8.534 0.010 . 1 . . . . 131 GLU H . 26887 1 208 . 1 1 22 22 GLU HA H 1 4.250 0.010 . 1 . . . . 131 GLU HA . 26887 1 209 . 1 1 22 22 GLU HB2 H 1 2.003 0.010 . 2 . . . . 131 GLU HB2 . 26887 1 210 . 1 1 22 22 GLU HB3 H 1 1.908 0.010 . 2 . . . . 131 GLU HB3 . 26887 1 211 . 1 1 22 22 GLU HG2 H 1 2.261 0.010 . 2 . . . . 131 GLU HG2 . 26887 1 212 . 1 1 22 22 GLU HG3 H 1 2.261 0.010 . 2 . . . . 131 GLU HG3 . 26887 1 213 . 1 1 22 22 GLU C C 13 176.474 0.050 . 1 . . . . 131 GLU C . 26887 1 214 . 1 1 22 22 GLU CA C 13 56.245 0.050 . 1 . . . . 131 GLU CA . 26887 1 215 . 1 1 22 22 GLU CB C 13 30.169 0.050 . 1 . . . . 131 GLU CB . 26887 1 216 . 1 1 22 22 GLU CG C 13 36.195 0.050 . 1 . . . . 131 GLU CG . 26887 1 217 . 1 1 22 22 GLU N N 15 124.798 0.050 . 1 . . . . 131 GLU N . 26887 1 218 . 1 1 23 23 LEU H H 1 8.422 0.010 . 1 . . . . 132 LEU H . 26887 1 219 . 1 1 23 23 LEU HA H 1 4.378 0.010 . 1 . . . . 132 LEU HA . 26887 1 220 . 1 1 23 23 LEU HB2 H 1 1.663 0.010 . 2 . . . . 132 LEU HB2 . 26887 1 221 . 1 1 23 23 LEU HB3 H 1 1.552 0.010 . 2 . . . . 132 LEU HB3 . 26887 1 222 . 1 1 23 23 LEU HG H 1 1.625 0.010 . 1 . . . . 132 LEU HG . 26887 1 223 . 1 1 23 23 LEU HD11 H 1 0.893 0.010 . 2 . . . . 132 LEU MD1 . 26887 1 224 . 1 1 23 23 LEU HD12 H 1 0.893 0.010 . 2 . . . . 132 LEU MD1 . 26887 1 225 . 1 1 23 23 LEU HD13 H 1 0.893 0.010 . 2 . . . . 132 LEU MD1 . 26887 1 226 . 1 1 23 23 LEU HD21 H 1 0.835 0.010 . 2 . . . . 132 LEU MD2 . 26887 1 227 . 1 1 23 23 LEU HD22 H 1 0.835 0.010 . 2 . . . . 132 LEU MD2 . 26887 1 228 . 1 1 23 23 LEU HD23 H 1 0.835 0.010 . 2 . . . . 132 LEU MD2 . 26887 1 229 . 1 1 23 23 LEU C C 13 177.720 0.050 . 1 . . . . 132 LEU C . 26887 1 230 . 1 1 23 23 LEU CA C 13 55.096 0.050 . 1 . . . . 132 LEU CA . 26887 1 231 . 1 1 23 23 LEU CB C 13 42.177 0.050 . 1 . . . . 132 LEU CB . 26887 1 232 . 1 1 23 23 LEU CG C 13 26.850 0.050 . 1 . . . . 132 LEU CG . 26887 1 233 . 1 1 23 23 LEU CD1 C 13 24.900 0.050 . 1 . . . . 132 LEU CD1 . 26887 1 234 . 1 1 23 23 LEU CD2 C 13 23.250 0.050 . 1 . . . . 132 LEU CD2 . 26887 1 235 . 1 1 23 23 LEU N N 15 124.026 0.050 . 1 . . . . 132 LEU N . 26887 1 236 . 1 1 24 24 THR H H 1 8.163 0.010 . 1 . . . . 133 THR H . 26887 1 237 . 1 1 24 24 THR HA H 1 4.281 0.010 . 1 . . . . 133 THR HA . 26887 1 238 . 1 1 24 24 THR HB H 1 4.269 0.010 . 1 . . . . 133 THR HB . 26887 1 239 . 1 1 24 24 THR HG21 H 1 1.190 0.010 . 1 . . . . 133 THR MG . 26887 1 240 . 1 1 24 24 THR HG22 H 1 1.190 0.010 . 1 . . . . 133 THR MG . 26887 1 241 . 1 1 24 24 THR HG23 H 1 1.190 0.010 . 1 . . . . 133 THR MG . 26887 1 242 . 1 1 24 24 THR C C 13 174.632 0.050 . 1 . . . . 133 THR C . 26887 1 243 . 1 1 24 24 THR CA C 13 61.677 0.050 . 1 . . . . 133 THR CA . 26887 1 244 . 1 1 24 24 THR CB C 13 69.898 0.050 . 1 . . . . 133 THR CB . 26887 1 245 . 1 1 24 24 THR CG2 C 13 21.553 0.050 . 1 . . . . 133 THR CG2 . 26887 1 246 . 1 1 24 24 THR N N 15 115.116 0.050 . 1 . . . . 133 THR N . 26887 1 247 . 1 1 25 25 GLN H H 1 8.540 0.010 . 1 . . . . 134 GLN H . 26887 1 248 . 1 1 25 25 GLN HA H 1 4.274 0.010 . 1 . . . . 134 GLN HA . 26887 1 249 . 1 1 25 25 GLN HB2 H 1 2.094 0.010 . 2 . . . . 134 GLN HB2 . 26887 1 250 . 1 1 25 25 GLN HB3 H 1 1.979 0.010 . 2 . . . . 134 GLN HB3 . 26887 1 251 . 1 1 25 25 GLN HG2 H 1 2.373 0.010 . 2 . . . . 134 GLN HG2 . 26887 1 252 . 1 1 25 25 GLN HG3 H 1 2.373 0.010 . 2 . . . . 134 GLN HG3 . 26887 1 253 . 1 1 25 25 GLN C C 13 176.554 0.050 . 1 . . . . 134 GLN C . 26887 1 254 . 1 1 25 25 GLN CA C 13 56.247 0.050 . 1 . . . . 134 GLN CA . 26887 1 255 . 1 1 25 25 GLN CB C 13 29.367 0.050 . 1 . . . . 134 GLN CB . 26887 1 256 . 1 1 25 25 GLN CG C 13 33.700 0.050 . 1 . . . . 134 GLN CG . 26887 1 257 . 1 1 25 25 GLN N N 15 122.266 0.050 . 1 . . . . 134 GLN N . 26887 1 258 . 1 1 26 26 GLU H H 1 8.543 0.010 . 1 . . . . 135 GLU H . 26887 1 259 . 1 1 26 26 GLU HA H 1 4.156 0.010 . 1 . . . . 135 GLU HA . 26887 1 260 . 1 1 26 26 GLU HB2 H 1 1.964 0.010 . 2 . . . . 135 GLU HB2 . 26887 1 261 . 1 1 26 26 GLU HB3 H 1 1.964 0.010 . 2 . . . . 135 GLU HB3 . 26887 1 262 . 1 1 26 26 GLU HG2 H 1 2.257 0.010 . 2 . . . . 135 GLU HG2 . 26887 1 263 . 1 1 26 26 GLU HG3 H 1 2.257 0.010 . 2 . . . . 135 GLU HG3 . 26887 1 264 . 1 1 26 26 GLU C C 13 176.671 0.050 . 1 . . . . 135 GLU C . 26887 1 265 . 1 1 26 26 GLU CA C 13 56.942 0.050 . 1 . . . . 135 GLU CA . 26887 1 266 . 1 1 26 26 GLU CB C 13 30.070 0.050 . 1 . . . . 135 GLU CB . 26887 1 267 . 1 1 26 26 GLU CG C 13 36.000 0.050 . 1 . . . . 135 GLU CG . 26887 1 268 . 1 1 26 26 GLU N N 15 122.317 0.050 . 1 . . . . 135 GLU N . 26887 1 269 . 1 1 27 27 ALA H H 1 8.343 0.010 . 1 . . . . 136 ALA H . 26887 1 270 . 1 1 27 27 ALA HA H 1 4.273 0.010 . 1 . . . . 136 ALA HA . 26887 1 271 . 1 1 27 27 ALA HB1 H 1 1.374 0.010 . 1 . . . . 136 ALA MB . 26887 1 272 . 1 1 27 27 ALA HB2 H 1 1.374 0.010 . 1 . . . . 136 ALA MB . 26887 1 273 . 1 1 27 27 ALA HB3 H 1 1.374 0.010 . 1 . . . . 136 ALA MB . 26887 1 274 . 1 1 27 27 ALA C C 13 178.163 0.050 . 1 . . . . 136 ALA C . 26887 1 275 . 1 1 27 27 ALA CA C 13 52.666 0.050 . 1 . . . . 136 ALA CA . 26887 1 276 . 1 1 27 27 ALA CB C 13 18.948 0.050 . 1 . . . . 136 ALA CB . 26887 1 277 . 1 1 27 27 ALA N N 15 124.960 0.050 . 1 . . . . 136 ALA N . 26887 1 278 . 1 1 28 28 LEU H H 1 8.275 0.010 . 1 . . . . 137 LEU H . 26887 1 279 . 1 1 28 28 LEU HA H 1 4.272 0.010 . 1 . . . . 137 LEU HA . 26887 1 280 . 1 1 28 28 LEU HB2 H 1 1.685 0.010 . 2 . . . . 137 LEU HB2 . 26887 1 281 . 1 1 28 28 LEU HB3 H 1 1.552 0.010 . 2 . . . . 137 LEU HB3 . 26887 1 282 . 1 1 28 28 LEU HG H 1 1.625 0.010 . 1 . . . . 137 LEU HG . 26887 1 283 . 1 1 28 28 LEU HD11 H 1 0.893 0.010 . 2 . . . . 137 LEU MD1 . 26887 1 284 . 1 1 28 28 LEU HD12 H 1 0.893 0.010 . 2 . . . . 137 LEU MD1 . 26887 1 285 . 1 1 28 28 LEU HD13 H 1 0.893 0.010 . 2 . . . . 137 LEU MD1 . 26887 1 286 . 1 1 28 28 LEU HD21 H 1 0.845 0.010 . 2 . . . . 137 LEU MD2 . 26887 1 287 . 1 1 28 28 LEU HD22 H 1 0.845 0.010 . 2 . . . . 137 LEU MD2 . 26887 1 288 . 1 1 28 28 LEU HD23 H 1 0.845 0.010 . 2 . . . . 137 LEU MD2 . 26887 1 289 . 1 1 28 28 LEU C C 13 178.333 0.050 . 1 . . . . 137 LEU C . 26887 1 290 . 1 1 28 28 LEU CA C 13 55.538 0.050 . 1 . . . . 137 LEU CA . 26887 1 291 . 1 1 28 28 LEU CB C 13 42.242 0.050 . 1 . . . . 137 LEU CB . 26887 1 292 . 1 1 28 28 LEU CG C 13 26.850 0.050 . 1 . . . . 137 LEU CG . 26887 1 293 . 1 1 28 28 LEU CD1 C 13 24.900 0.050 . 1 . . . . 137 LEU CD1 . 26887 1 294 . 1 1 28 28 LEU CD2 C 13 23.250 0.050 . 1 . . . . 137 LEU CD2 . 26887 1 295 . 1 1 28 28 LEU N N 15 121.295 0.050 . 1 . . . . 137 LEU N . 26887 1 296 . 1 1 29 29 GLY H H 1 8.402 0.010 . 1 . . . . 138 GLY H . 26887 1 297 . 1 1 29 29 GLY HA2 H 1 3.968 0.010 . 2 . . . . 138 GLY HA2 . 26887 1 298 . 1 1 29 29 GLY HA3 H 1 3.923 0.010 . 2 . . . . 138 GLY HA3 . 26887 1 299 . 1 1 29 29 GLY C C 13 174.448 0.050 . 1 . . . . 138 GLY C . 26887 1 300 . 1 1 29 29 GLY CA C 13 45.224 0.050 . 1 . . . . 138 GLY CA . 26887 1 301 . 1 1 29 29 GLY N N 15 109.120 0.050 . 1 . . . . 138 GLY N . 26887 1 302 . 1 1 30 30 THR H H 1 8.071 0.010 . 1 . . . . 139 THR H . 26887 1 303 . 1 1 30 30 THR HA H 1 4.318 0.010 . 1 . . . . 139 THR HA . 26887 1 304 . 1 1 30 30 THR HB H 1 4.213 0.010 . 1 . . . . 139 THR HB . 26887 1 305 . 1 1 30 30 THR HG21 H 1 1.170 0.010 . 1 . . . . 139 THR MG . 26887 1 306 . 1 1 30 30 THR HG22 H 1 1.170 0.010 . 1 . . . . 139 THR MG . 26887 1 307 . 1 1 30 30 THR HG23 H 1 1.170 0.010 . 1 . . . . 139 THR MG . 26887 1 308 . 1 1 30 30 THR C C 13 174.971 0.050 . 1 . . . . 139 THR C . 26887 1 309 . 1 1 30 30 THR CA C 13 62.085 0.050 . 1 . . . . 139 THR CA . 26887 1 310 . 1 1 30 30 THR CB C 13 69.893 0.050 . 1 . . . . 139 THR CB . 26887 1 311 . 1 1 30 30 THR CG2 C 13 21.628 0.050 . 1 . . . . 139 THR CG2 . 26887 1 312 . 1 1 30 30 THR N N 15 114.168 0.050 . 1 . . . . 139 THR N . 26887 1 313 . 1 1 31 31 VAL H H 1 8.285 0.010 . 1 . . . . 140 VAL H . 26887 1 314 . 1 1 31 31 VAL HA H 1 4.026 0.010 . 1 . . . . 140 VAL HA . 26887 1 315 . 1 1 31 31 VAL HB H 1 2.037 0.010 . 1 . . . . 140 VAL HB . 26887 1 316 . 1 1 31 31 VAL HG11 H 1 0.918 0.010 . 2 . . . . 140 VAL MG1 . 26887 1 317 . 1 1 31 31 VAL HG12 H 1 0.918 0.010 . 2 . . . . 140 VAL MG1 . 26887 1 318 . 1 1 31 31 VAL HG13 H 1 0.918 0.010 . 2 . . . . 140 VAL MG1 . 26887 1 319 . 1 1 31 31 VAL HG21 H 1 0.918 0.010 . 2 . . . . 140 VAL MG2 . 26887 1 320 . 1 1 31 31 VAL HG22 H 1 0.918 0.010 . 2 . . . . 140 VAL MG2 . 26887 1 321 . 1 1 31 31 VAL HG23 H 1 0.918 0.010 . 2 . . . . 140 VAL MG2 . 26887 1 322 . 1 1 31 31 VAL C C 13 176.580 0.050 . 1 . . . . 140 VAL C . 26887 1 323 . 1 1 31 31 VAL CA C 13 62.807 0.050 . 1 . . . . 140 VAL CA . 26887 1 324 . 1 1 31 31 VAL CB C 13 32.530 0.050 . 1 . . . . 140 VAL CB . 26887 1 325 . 1 1 31 31 VAL CG1 C 13 20.715 0.050 . 1 . . . . 140 VAL CG1 . 26887 1 326 . 1 1 31 31 VAL CG2 C 13 20.715 0.050 . 1 . . . . 140 VAL CG2 . 26887 1 327 . 1 1 31 31 VAL N N 15 123.186 0.050 . 1 . . . . 140 VAL N . 26887 1 328 . 1 1 32 32 ALA H H 1 8.521 0.010 . 1 . . . . 141 ALA H . 26887 1 329 . 1 1 32 32 ALA HA H 1 4.272 0.010 . 1 . . . . 141 ALA HA . 26887 1 330 . 1 1 32 32 ALA HB1 H 1 1.377 0.010 . 1 . . . . 141 ALA MB . 26887 1 331 . 1 1 32 32 ALA HB2 H 1 1.377 0.010 . 1 . . . . 141 ALA MB . 26887 1 332 . 1 1 32 32 ALA HB3 H 1 1.377 0.010 . 1 . . . . 141 ALA MB . 26887 1 333 . 1 1 32 32 ALA C C 13 178.291 0.050 . 1 . . . . 141 ALA C . 26887 1 334 . 1 1 32 32 ALA CA C 13 52.987 0.050 . 1 . . . . 141 ALA CA . 26887 1 335 . 1 1 32 32 ALA CB C 13 18.948 0.050 . 1 . . . . 141 ALA CB . 26887 1 336 . 1 1 32 32 ALA N N 15 127.448 0.050 . 1 . . . . 141 ALA N . 26887 1 337 . 1 1 33 33 SER H H 1 8.318 0.010 . 1 . . . . 142 SER H . 26887 1 338 . 1 1 33 33 SER HA H 1 4.335 0.010 . 1 . . . . 142 SER HA . 26887 1 339 . 1 1 33 33 SER HB2 H 1 3.839 0.010 . 2 . . . . 142 SER HB2 . 26887 1 340 . 1 1 33 33 SER HB3 H 1 3.839 0.010 . 2 . . . . 142 SER HB3 . 26887 1 341 . 1 1 33 33 SER C C 13 175.058 0.050 . 1 . . . . 142 SER C . 26887 1 342 . 1 1 33 33 SER CA C 13 58.738 0.050 . 1 . . . . 142 SER CA . 26887 1 343 . 1 1 33 33 SER CB C 13 63.575 0.050 . 1 . . . . 142 SER CB . 26887 1 344 . 1 1 33 33 SER N N 15 115.044 0.050 . 1 . . . . 142 SER N . 26887 1 345 . 1 1 34 34 GLN H H 1 8.424 0.010 . 1 . . . . 143 GLN H . 26887 1 346 . 1 1 34 34 GLN HA H 1 4.365 0.010 . 1 . . . . 143 GLN HA . 26887 1 347 . 1 1 34 34 GLN HB2 H 1 2.144 0.010 . 2 . . . . 143 GLN HB2 . 26887 1 348 . 1 1 34 34 GLN HB3 H 1 2.015 0.010 . 2 . . . . 143 GLN HB3 . 26887 1 349 . 1 1 34 34 GLN HG2 H 1 2.390 0.010 . 2 . . . . 143 GLN HG2 . 26887 1 350 . 1 1 34 34 GLN HG3 H 1 2.390 0.010 . 2 . . . . 143 GLN HG3 . 26887 1 351 . 1 1 34 34 GLN C C 13 176.394 0.050 . 1 . . . . 143 GLN C . 26887 1 352 . 1 1 34 34 GLN CA C 13 56.042 0.050 . 1 . . . . 143 GLN CA . 26887 1 353 . 1 1 34 34 GLN CB C 13 29.354 0.050 . 1 . . . . 143 GLN CB . 26887 1 354 . 1 1 34 34 GLN CG C 13 33.700 0.050 . 1 . . . . 143 GLN CG . 26887 1 355 . 1 1 34 34 GLN N N 15 122.341 0.050 . 1 . . . . 143 GLN N . 26887 1 356 . 1 1 35 35 THR H H 1 8.228 0.010 . 1 . . . . 144 THR H . 26887 1 357 . 1 1 35 35 THR HA H 1 4.246 0.010 . 1 . . . . 144 THR HA . 26887 1 358 . 1 1 35 35 THR HB H 1 4.169 0.010 . 1 . . . . 144 THR HB . 26887 1 359 . 1 1 35 35 THR HG21 H 1 1.175 0.010 . 1 . . . . 144 THR MG . 26887 1 360 . 1 1 35 35 THR HG22 H 1 1.175 0.010 . 1 . . . . 144 THR MG . 26887 1 361 . 1 1 35 35 THR HG23 H 1 1.175 0.010 . 1 . . . . 144 THR MG . 26887 1 362 . 1 1 35 35 THR C C 13 174.646 0.050 . 1 . . . . 144 THR C . 26887 1 363 . 1 1 35 35 THR CA C 13 62.372 0.050 . 1 . . . . 144 THR CA . 26887 1 364 . 1 1 35 35 THR CB C 13 69.637 0.050 . 1 . . . . 144 THR CB . 26887 1 365 . 1 1 35 35 THR CG2 C 13 21.798 0.050 . 1 . . . . 144 THR CG2 . 26887 1 366 . 1 1 35 35 THR N N 15 115.787 0.050 . 1 . . . . 144 THR N . 26887 1 367 . 1 1 36 36 ARG H H 1 8.355 0.010 . 1 . . . . 145 ARG H . 26887 1 368 . 1 1 36 36 ARG HA H 1 4.298 0.010 . 1 . . . . 145 ARG HA . 26887 1 369 . 1 1 36 36 ARG HB2 H 1 1.817 0.010 . 2 . . . . 145 ARG HB2 . 26887 1 370 . 1 1 36 36 ARG HB3 H 1 1.764 0.010 . 2 . . . . 145 ARG HB3 . 26887 1 371 . 1 1 36 36 ARG HG2 H 1 1.650 0.010 . 2 . . . . 145 ARG HG2 . 26887 1 372 . 1 1 36 36 ARG HG3 H 1 1.650 0.010 . 2 . . . . 145 ARG HG3 . 26887 1 373 . 1 1 36 36 ARG HD2 H 1 3.175 0.010 . 2 . . . . 145 ARG HD2 . 26887 1 374 . 1 1 36 36 ARG HD3 H 1 3.175 0.010 . 2 . . . . 145 ARG HD3 . 26887 1 375 . 1 1 36 36 ARG C C 13 176.034 0.050 . 1 . . . . 145 ARG C . 26887 1 376 . 1 1 36 36 ARG CA C 13 56.258 0.050 . 1 . . . . 145 ARG CA . 26887 1 377 . 1 1 36 36 ARG CB C 13 30.777 0.050 . 1 . . . . 145 ARG CB . 26887 1 378 . 1 1 36 36 ARG CG C 13 27.000 0.050 . 1 . . . . 145 ARG CG . 26887 1 379 . 1 1 36 36 ARG CD C 13 43.214 0.050 . 1 . . . . 145 ARG CD . 26887 1 380 . 1 1 36 36 ARG N N 15 124.082 0.050 . 1 . . . . 145 ARG N . 26887 1 381 . 1 1 37 37 ALA H H 1 8.436 0.010 . 1 . . . . 146 ALA H . 26887 1 382 . 1 1 37 37 ALA HA H 1 4.301 0.010 . 1 . . . . 146 ALA HA . 26887 1 383 . 1 1 37 37 ALA HB1 H 1 1.356 0.010 . 1 . . . . 146 ALA MB . 26887 1 384 . 1 1 37 37 ALA HB2 H 1 1.356 0.010 . 1 . . . . 146 ALA MB . 26887 1 385 . 1 1 37 37 ALA HB3 H 1 1.356 0.010 . 1 . . . . 146 ALA MB . 26887 1 386 . 1 1 37 37 ALA C C 13 178.067 0.050 . 1 . . . . 146 ALA C . 26887 1 387 . 1 1 37 37 ALA CA C 13 52.463 0.050 . 1 . . . . 146 ALA CA . 26887 1 388 . 1 1 37 37 ALA CB C 13 18.956 0.050 . 1 . . . . 146 ALA CB . 26887 1 389 . 1 1 37 37 ALA N N 15 125.869 0.050 . 1 . . . . 146 ALA N . 26887 1 390 . 1 1 38 38 VAL H H 1 8.252 0.010 . 1 . . . . 147 VAL H . 26887 1 391 . 1 1 38 38 VAL HA H 1 3.997 0.010 . 1 . . . . 147 VAL HA . 26887 1 392 . 1 1 38 38 VAL HB H 1 2.059 0.010 . 1 . . . . 147 VAL HB . 26887 1 393 . 1 1 38 38 VAL HG11 H 1 0.933 0.010 . 2 . . . . 147 VAL MG1 . 26887 1 394 . 1 1 38 38 VAL HG12 H 1 0.933 0.010 . 2 . . . . 147 VAL MG1 . 26887 1 395 . 1 1 38 38 VAL HG13 H 1 0.933 0.010 . 2 . . . . 147 VAL MG1 . 26887 1 396 . 1 1 38 38 VAL HG21 H 1 0.933 0.010 . 2 . . . . 147 VAL MG2 . 26887 1 397 . 1 1 38 38 VAL HG22 H 1 0.933 0.010 . 2 . . . . 147 VAL MG2 . 26887 1 398 . 1 1 38 38 VAL HG23 H 1 0.933 0.010 . 2 . . . . 147 VAL MG2 . 26887 1 399 . 1 1 38 38 VAL C C 13 177.171 0.050 . 1 . . . . 147 VAL C . 26887 1 400 . 1 1 38 38 VAL CA C 13 62.977 0.050 . 1 . . . . 147 VAL CA . 26887 1 401 . 1 1 38 38 VAL CB C 13 32.666 0.050 . 1 . . . . 147 VAL CB . 26887 1 402 . 1 1 38 38 VAL CG1 C 13 20.615 0.050 . 1 . . . . 147 VAL CG1 . 26887 1 403 . 1 1 38 38 VAL CG2 C 13 20.615 0.050 . 1 . . . . 147 VAL CG2 . 26887 1 404 . 1 1 38 38 VAL N N 15 119.952 0.050 . 1 . . . . 147 VAL N . 26887 1 405 . 1 1 39 39 GLY H H 1 8.511 0.010 . 1 . . . . 148 GLY H . 26887 1 406 . 1 1 39 39 GLY HA2 H 1 3.945 0.010 . 2 . . . . 148 GLY HA2 . 26887 1 407 . 1 1 39 39 GLY HA3 H 1 3.968 0.010 . 2 . . . . 148 GLY HA3 . 26887 1 408 . 1 1 39 39 GLY C C 13 174.429 0.050 . 1 . . . . 148 GLY C . 26887 1 409 . 1 1 39 39 GLY CA C 13 45.228 0.050 . 1 . . . . 148 GLY CA . 26887 1 410 . 1 1 39 39 GLY N N 15 112.066 0.050 . 1 . . . . 148 GLY N . 26887 1 411 . 1 1 40 40 GLU H H 1 8.291 0.010 . 1 . . . . 149 GLU H . 26887 1 412 . 1 1 40 40 GLU HA H 1 4.226 0.010 . 1 . . . . 149 GLU HA . 26887 1 413 . 1 1 40 40 GLU HB2 H 1 2.022 0.010 . 2 . . . . 149 GLU HB2 . 26887 1 414 . 1 1 40 40 GLU HB3 H 1 1.952 0.010 . 2 . . . . 149 GLU HB3 . 26887 1 415 . 1 1 40 40 GLU HG2 H 1 2.281 0.010 . 2 . . . . 149 GLU HG2 . 26887 1 416 . 1 1 40 40 GLU HG3 H 1 2.210 0.010 . 2 . . . . 149 GLU HG3 . 26887 1 417 . 1 1 40 40 GLU C C 13 176.956 0.050 . 1 . . . . 149 GLU C . 26887 1 418 . 1 1 40 40 GLU CA C 13 56.719 0.050 . 1 . . . . 149 GLU CA . 26887 1 419 . 1 1 40 40 GLU CB C 13 30.306 0.050 . 1 . . . . 149 GLU CB . 26887 1 420 . 1 1 40 40 GLU CG C 13 36.000 0.050 . 1 . . . . 149 GLU CG . 26887 1 421 . 1 1 40 40 GLU N N 15 121.141 0.050 . 1 . . . . 149 GLU N . 26887 1 422 . 1 1 41 41 ARG H H 1 8.413 0.010 . 1 . . . . 150 ARG H . 26887 1 423 . 1 1 41 41 ARG HA H 1 4.245 0.010 . 1 . . . . 150 ARG HA . 26887 1 424 . 1 1 41 41 ARG HB2 H 1 1.836 0.010 . 2 . . . . 150 ARG HB2 . 26887 1 425 . 1 1 41 41 ARG HB3 H 1 1.792 0.010 . 2 . . . . 150 ARG HB3 . 26887 1 426 . 1 1 41 41 ARG HG2 H 1 1.650 0.010 . 2 . . . . 150 ARG HG2 . 26887 1 427 . 1 1 41 41 ARG HG3 H 1 1.650 0.010 . 2 . . . . 150 ARG HG3 . 26887 1 428 . 1 1 41 41 ARG HD2 H 1 3.169 0.010 . 2 . . . . 150 ARG HD2 . 26887 1 429 . 1 1 41 41 ARG HD3 H 1 3.169 0.010 . 2 . . . . 150 ARG HD3 . 26887 1 430 . 1 1 41 41 ARG C C 13 176.416 0.050 . 1 . . . . 150 ARG C . 26887 1 431 . 1 1 41 41 ARG CA C 13 56.443 0.050 . 1 . . . . 150 ARG CA . 26887 1 432 . 1 1 41 41 ARG CB C 13 30.625 0.050 . 1 . . . . 150 ARG CB . 26887 1 433 . 1 1 41 41 ARG CG C 13 27.190 0.050 . 1 . . . . 150 ARG CG . 26887 1 434 . 1 1 41 41 ARG CD C 13 43.214 0.050 . 1 . . . . 150 ARG CD . 26887 1 435 . 1 1 41 41 ARG N N 15 122.088 0.050 . 1 . . . . 150 ARG N . 26887 1 436 . 1 1 42 42 ALA H H 1 8.295 0.010 . 1 . . . . 151 ALA H . 26887 1 437 . 1 1 42 42 ALA HA H 1 4.226 0.010 . 1 . . . . 151 ALA HA . 26887 1 438 . 1 1 42 42 ALA HB1 H 1 1.358 0.010 . 1 . . . . 151 ALA MB . 26887 1 439 . 1 1 42 42 ALA HB2 H 1 1.358 0.010 . 1 . . . . 151 ALA MB . 26887 1 440 . 1 1 42 42 ALA HB3 H 1 1.358 0.010 . 1 . . . . 151 ALA MB . 26887 1 441 . 1 1 42 42 ALA C C 13 177.783 0.050 . 1 . . . . 151 ALA C . 26887 1 442 . 1 1 42 42 ALA CA C 13 52.514 0.050 . 1 . . . . 151 ALA CA . 26887 1 443 . 1 1 42 42 ALA CB C 13 18.979 0.050 . 1 . . . . 151 ALA CB . 26887 1 444 . 1 1 42 42 ALA N N 15 124.861 0.050 . 1 . . . . 151 ALA N . 26887 1 445 . 1 1 43 43 ALA H H 1 8.278 0.010 . 1 . . . . 152 ALA H . 26887 1 446 . 1 1 43 43 ALA HA H 1 4.226 0.010 . 1 . . . . 152 ALA HA . 26887 1 447 . 1 1 43 43 ALA HB1 H 1 1.360 0.010 . 1 . . . . 152 ALA MB . 26887 1 448 . 1 1 43 43 ALA HB2 H 1 1.360 0.010 . 1 . . . . 152 ALA MB . 26887 1 449 . 1 1 43 43 ALA HB3 H 1 1.360 0.010 . 1 . . . . 152 ALA MB . 26887 1 450 . 1 1 43 43 ALA C C 13 177.945 0.050 . 1 . . . . 152 ALA C . 26887 1 451 . 1 1 43 43 ALA CA C 13 52.573 0.050 . 1 . . . . 152 ALA CA . 26887 1 452 . 1 1 43 43 ALA CB C 13 18.928 0.050 . 1 . . . . 152 ALA CB . 26887 1 453 . 1 1 43 43 ALA N N 15 123.422 0.050 . 1 . . . . 152 ALA N . 26887 1 454 . 1 1 44 44 LYS H H 1 8.239 0.010 . 1 . . . . 153 LYS H . 26887 1 455 . 1 1 44 44 LYS HA H 1 4.249 0.010 . 1 . . . . 153 LYS HA . 26887 1 456 . 1 1 44 44 LYS HB2 H 1 1.795 0.010 . 2 . . . . 153 LYS HB2 . 26887 1 457 . 1 1 44 44 LYS HB3 H 1 1.729 0.010 . 2 . . . . 153 LYS HB3 . 26887 1 458 . 1 1 44 44 LYS HG2 H 1 1.415 0.010 . 2 . . . . 153 LYS HG2 . 26887 1 459 . 1 1 44 44 LYS HG3 H 1 1.415 0.010 . 2 . . . . 153 LYS HG3 . 26887 1 460 . 1 1 44 44 LYS HD2 H 1 1.673 0.010 . 2 . . . . 153 LYS HD2 . 26887 1 461 . 1 1 44 44 LYS HD3 H 1 1.673 0.010 . 2 . . . . 153 LYS HD3 . 26887 1 462 . 1 1 44 44 LYS HE2 H 1 2.986 0.010 . 2 . . . . 153 LYS HE2 . 26887 1 463 . 1 1 44 44 LYS HE3 H 1 2.986 0.010 . 2 . . . . 153 LYS HE3 . 26887 1 464 . 1 1 44 44 LYS C C 13 176.572 0.050 . 1 . . . . 153 LYS C . 26887 1 465 . 1 1 44 44 LYS CA C 13 56.225 0.050 . 1 . . . . 153 LYS CA . 26887 1 466 . 1 1 44 44 LYS CB C 13 32.916 0.050 . 1 . . . . 153 LYS CB . 26887 1 467 . 1 1 44 44 LYS CG C 13 24.700 0.050 . 1 . . . . 153 LYS CG . 26887 1 468 . 1 1 44 44 LYS CD C 13 29.086 0.050 . 1 . . . . 153 LYS CD . 26887 1 469 . 1 1 44 44 LYS CE C 13 42.000 0.050 . 1 . . . . 153 LYS CE . 26887 1 470 . 1 1 44 44 LYS N N 15 120.490 0.050 . 1 . . . . 153 LYS N . 26887 1 471 . 1 1 45 45 LEU H H 1 8.280 0.010 . 1 . . . . 154 LEU H . 26887 1 472 . 1 1 45 45 LEU HA H 1 4.353 0.010 . 1 . . . . 154 LEU HA . 26887 1 473 . 1 1 45 45 LEU HB2 H 1 1.637 0.010 . 2 . . . . 154 LEU HB2 . 26887 1 474 . 1 1 45 45 LEU HB3 H 1 1.529 0.010 . 2 . . . . 154 LEU HB3 . 26887 1 475 . 1 1 45 45 LEU HG H 1 1.620 0.010 . 1 . . . . 154 LEU HG . 26887 1 476 . 1 1 45 45 LEU HD11 H 1 0.885 0.010 . 2 . . . . 154 LEU MD1 . 26887 1 477 . 1 1 45 45 LEU HD12 H 1 0.885 0.010 . 2 . . . . 154 LEU MD1 . 26887 1 478 . 1 1 45 45 LEU HD13 H 1 0.885 0.010 . 2 . . . . 154 LEU MD1 . 26887 1 479 . 1 1 45 45 LEU HD21 H 1 0.835 0.010 . 2 . . . . 154 LEU MD2 . 26887 1 480 . 1 1 45 45 LEU HD22 H 1 0.835 0.010 . 2 . . . . 154 LEU MD2 . 26887 1 481 . 1 1 45 45 LEU HD23 H 1 0.835 0.010 . 2 . . . . 154 LEU MD2 . 26887 1 482 . 1 1 45 45 LEU C C 13 177.226 0.050 . 1 . . . . 154 LEU C . 26887 1 483 . 1 1 45 45 LEU CA C 13 54.953 0.050 . 1 . . . . 154 LEU CA . 26887 1 484 . 1 1 45 45 LEU CB C 13 42.186 0.050 . 1 . . . . 154 LEU CB . 26887 1 485 . 1 1 45 45 LEU CG C 13 26.717 0.050 . 1 . . . . 154 LEU CG . 26887 1 486 . 1 1 45 45 LEU CD1 C 13 24.670 0.050 . 1 . . . . 154 LEU CD1 . 26887 1 487 . 1 1 45 45 LEU CD2 C 13 23.250 0.050 . 1 . . . . 154 LEU CD2 . 26887 1 488 . 1 1 45 45 LEU N N 15 123.803 0.050 . 1 . . . . 154 LEU N . 26887 1 489 . 1 1 46 46 VAL H H 1 8.159 0.010 . 1 . . . . 155 VAL H . 26887 1 490 . 1 1 46 46 VAL HA H 1 4.080 0.010 . 1 . . . . 155 VAL HA . 26887 1 491 . 1 1 46 46 VAL HB H 1 2.041 0.010 . 1 . . . . 155 VAL HB . 26887 1 492 . 1 1 46 46 VAL HG11 H 1 0.953 0.010 . 2 . . . . 155 VAL MG1 . 26887 1 493 . 1 1 46 46 VAL HG12 H 1 0.953 0.010 . 2 . . . . 155 VAL MG1 . 26887 1 494 . 1 1 46 46 VAL HG13 H 1 0.953 0.010 . 2 . . . . 155 VAL MG1 . 26887 1 495 . 1 1 46 46 VAL HG21 H 1 0.912 0.010 . 2 . . . . 155 VAL MG2 . 26887 1 496 . 1 1 46 46 VAL HG22 H 1 0.912 0.010 . 2 . . . . 155 VAL MG2 . 26887 1 497 . 1 1 46 46 VAL HG23 H 1 0.912 0.010 . 2 . . . . 155 VAL MG2 . 26887 1 498 . 1 1 46 46 VAL C C 13 176.575 0.050 . 1 . . . . 155 VAL C . 26887 1 499 . 1 1 46 46 VAL CA C 13 62.329 0.050 . 1 . . . . 155 VAL CA . 26887 1 500 . 1 1 46 46 VAL CB C 13 32.844 0.050 . 1 . . . . 155 VAL CB . 26887 1 501 . 1 1 46 46 VAL CG1 C 13 20.715 0.050 . 1 . . . . 155 VAL CG1 . 26887 1 502 . 1 1 46 46 VAL CG2 C 13 21.015 0.050 . 1 . . . . 155 VAL CG2 . 26887 1 503 . 1 1 46 46 VAL N N 15 121.534 0.050 . 1 . . . . 155 VAL N . 26887 1 504 . 1 1 47 47 GLY H H 1 8.539 0.010 . 1 . . . . 156 GLY H . 26887 1 505 . 1 1 47 47 GLY HA2 H 1 3.945 0.010 . 2 . . . . 156 GLY HA2 . 26887 1 506 . 1 1 47 47 GLY HA3 H 1 3.945 0.010 . 2 . . . . 156 GLY HA3 . 26887 1 507 . 1 1 47 47 GLY C C 13 173.832 0.050 . 1 . . . . 156 GLY C . 26887 1 508 . 1 1 47 47 GLY CA C 13 45.230 0.050 . 1 . . . . 156 GLY CA . 26887 1 509 . 1 1 47 47 GLY N N 15 112.964 0.050 . 1 . . . . 156 GLY N . 26887 1 510 . 1 1 48 48 ILE H H 1 8.000 0.010 . 1 . . . . 157 ILE H . 26887 1 511 . 1 1 48 48 ILE HA H 1 4.161 0.010 . 1 . . . . 157 ILE HA . 26887 1 512 . 1 1 48 48 ILE HB H 1 1.829 0.010 . 1 . . . . 157 ILE HB . 26887 1 513 . 1 1 48 48 ILE HG12 H 1 1.397 0.010 . 2 . . . . 157 ILE HG12 . 26887 1 514 . 1 1 48 48 ILE HG13 H 1 1.133 0.010 . 2 . . . . 157 ILE HG13 . 26887 1 515 . 1 1 48 48 ILE HG21 H 1 0.870 0.010 . 1 . . . . 157 ILE MG . 26887 1 516 . 1 1 48 48 ILE HG22 H 1 0.870 0.010 . 1 . . . . 157 ILE MG . 26887 1 517 . 1 1 48 48 ILE HG23 H 1 0.870 0.010 . 1 . . . . 157 ILE MG . 26887 1 518 . 1 1 48 48 ILE HD11 H 1 0.833 0.010 . 1 . . . . 157 ILE MD . 26887 1 519 . 1 1 48 48 ILE HD12 H 1 0.833 0.010 . 1 . . . . 157 ILE MD . 26887 1 520 . 1 1 48 48 ILE HD13 H 1 0.833 0.010 . 1 . . . . 157 ILE MD . 26887 1 521 . 1 1 48 48 ILE C C 13 176.079 0.050 . 1 . . . . 157 ILE C . 26887 1 522 . 1 1 48 48 ILE CA C 13 60.795 0.050 . 1 . . . . 157 ILE CA . 26887 1 523 . 1 1 48 48 ILE CB C 13 38.802 0.050 . 1 . . . . 157 ILE CB . 26887 1 524 . 1 1 48 48 ILE CG1 C 13 27.004 0.050 . 1 . . . . 157 ILE CG1 . 26887 1 525 . 1 1 48 48 ILE CG2 C 13 17.369 0.050 . 1 . . . . 157 ILE CG2 . 26887 1 526 . 1 1 48 48 ILE CD1 C 13 12.921 0.050 . 1 . . . . 157 ILE CD1 . 26887 1 527 . 1 1 48 48 ILE N N 15 120.009 0.050 . 1 . . . . 157 ILE N . 26887 1 528 . 1 1 49 49 GLU H H 1 8.558 0.010 . 1 . . . . 158 GLU H . 26887 1 529 . 1 1 49 49 GLU HA H 1 4.296 0.010 . 1 . . . . 158 GLU HA . 26887 1 530 . 1 1 49 49 GLU HB2 H 1 1.972 0.010 . 2 . . . . 158 GLU HB2 . 26887 1 531 . 1 1 49 49 GLU HB3 H 1 1.878 0.010 . 2 . . . . 158 GLU HB3 . 26887 1 532 . 1 1 49 49 GLU HG2 H 1 2.280 0.010 . 2 . . . . 158 GLU HG2 . 26887 1 533 . 1 1 49 49 GLU HG3 H 1 2.210 0.010 . 2 . . . . 158 GLU HG3 . 26887 1 534 . 1 1 49 49 GLU C C 13 175.989 0.050 . 1 . . . . 158 GLU C . 26887 1 535 . 1 1 49 49 GLU CA C 13 55.768 0.050 . 1 . . . . 158 GLU CA . 26887 1 536 . 1 1 49 49 GLU CB C 13 30.294 0.050 . 1 . . . . 158 GLU CB . 26887 1 537 . 1 1 49 49 GLU CG C 13 36.000 0.050 . 1 . . . . 158 GLU CG . 26887 1 538 . 1 1 49 49 GLU N N 15 125.545 0.050 . 1 . . . . 158 GLU N . 26887 1 539 . 1 1 50 50 LEU H H 1 8.473 0.010 . 1 . . . . 159 LEU H . 26887 1 540 . 1 1 50 50 LEU HA H 1 4.552 0.010 . 1 . . . . 159 LEU HA . 26887 1 541 . 1 1 50 50 LEU HB2 H 1 1.586 0.010 . 2 . . . . 159 LEU HB2 . 26887 1 542 . 1 1 50 50 LEU HB3 H 1 1.517 0.010 . 2 . . . . 159 LEU HB3 . 26887 1 543 . 1 1 50 50 LEU HG H 1 1.620 0.010 . 1 . . . . 159 LEU HG . 26887 1 544 . 1 1 50 50 LEU HD11 H 1 0.927 0.010 . 2 . . . . 159 LEU MD1 . 26887 1 545 . 1 1 50 50 LEU HD12 H 1 0.927 0.010 . 2 . . . . 159 LEU MD1 . 26887 1 546 . 1 1 50 50 LEU HD13 H 1 0.927 0.010 . 2 . . . . 159 LEU MD1 . 26887 1 547 . 1 1 50 50 LEU HD21 H 1 0.884 0.010 . 2 . . . . 159 LEU MD2 . 26887 1 548 . 1 1 50 50 LEU HD22 H 1 0.884 0.010 . 2 . . . . 159 LEU MD2 . 26887 1 549 . 1 1 50 50 LEU HD23 H 1 0.884 0.010 . 2 . . . . 159 LEU MD2 . 26887 1 550 . 1 1 50 50 LEU C C 13 175.168 0.050 . 1 . . . . 159 LEU C . 26887 1 551 . 1 1 50 50 LEU CA C 13 52.939 0.050 . 1 . . . . 159 LEU CA . 26887 1 552 . 1 1 50 50 LEU CB C 13 41.295 0.050 . 1 . . . . 159 LEU CB . 26887 1 553 . 1 1 50 50 LEU CG C 13 26.850 0.050 . 1 . . . . 159 LEU CG . 26887 1 554 . 1 1 50 50 LEU CD1 C 13 25.150 0.050 . 1 . . . . 159 LEU CD1 . 26887 1 555 . 1 1 50 50 LEU CD2 C 13 23.064 0.050 . 1 . . . . 159 LEU CD2 . 26887 1 556 . 1 1 50 50 LEU N N 15 126.106 0.050 . 1 . . . . 159 LEU N . 26887 1 557 . 1 1 51 51 PRO HA H 1 4.382 0.010 . 1 . . . . 160 PRO HA . 26887 1 558 . 1 1 51 51 PRO HB2 H 1 2.276 0.010 . 2 . . . . 160 PRO HB2 . 26887 1 559 . 1 1 51 51 PRO HB3 H 1 1.849 0.010 . 2 . . . . 160 PRO HB3 . 26887 1 560 . 1 1 51 51 PRO HG2 H 1 2.005 0.010 . 2 . . . . 160 PRO HG2 . 26887 1 561 . 1 1 51 51 PRO HG3 H 1 2.005 0.010 . 2 . . . . 160 PRO HG3 . 26887 1 562 . 1 1 51 51 PRO HD2 H 1 3.837 0.010 . 2 . . . . 160 PRO HD2 . 26887 1 563 . 1 1 51 51 PRO HD3 H 1 3.640 0.010 . 2 . . . . 160 PRO HD3 . 26887 1 564 . 1 1 51 51 PRO C C 13 176.836 0.050 . 1 . . . . 160 PRO C . 26887 1 565 . 1 1 51 51 PRO CA C 13 62.777 0.050 . 1 . . . . 160 PRO CA . 26887 1 566 . 1 1 51 51 PRO CB C 13 32.061 0.050 . 1 . . . . 160 PRO CB . 26887 1 567 . 1 1 51 51 PRO CG C 13 27.359 0.050 . 1 . . . . 160 PRO CG . 26887 1 568 . 1 1 51 51 PRO CD C 13 50.300 0.050 . 1 . . . . 160 PRO CD . 26887 1 569 . 1 1 52 52 LYS H H 1 8.518 0.010 . 1 . . . . 161 LYS H . 26887 1 570 . 1 1 52 52 LYS HA H 1 4.250 0.010 . 1 . . . . 161 LYS HA . 26887 1 571 . 1 1 52 52 LYS HB2 H 1 1.777 0.010 . 2 . . . . 161 LYS HB2 . 26887 1 572 . 1 1 52 52 LYS HB3 H 1 1.713 0.010 . 2 . . . . 161 LYS HB3 . 26887 1 573 . 1 1 52 52 LYS HG2 H 1 1.461 0.010 . 2 . . . . 161 LYS HG2 . 26887 1 574 . 1 1 52 52 LYS HG3 H 1 1.461 0.010 . 2 . . . . 161 LYS HG3 . 26887 1 575 . 1 1 52 52 LYS HD2 H 1 1.671 0.010 . 2 . . . . 161 LYS HD2 . 26887 1 576 . 1 1 52 52 LYS HD3 H 1 1.671 0.010 . 2 . . . . 161 LYS HD3 . 26887 1 577 . 1 1 52 52 LYS HE2 H 1 2.980 0.010 . 2 . . . . 161 LYS HE2 . 26887 1 578 . 1 1 52 52 LYS HE3 H 1 2.980 0.010 . 2 . . . . 161 LYS HE3 . 26887 1 579 . 1 1 52 52 LYS C C 13 176.732 0.050 . 1 . . . . 161 LYS C . 26887 1 580 . 1 1 52 52 LYS CA C 13 56.024 0.050 . 1 . . . . 161 LYS CA . 26887 1 581 . 1 1 52 52 LYS CB C 13 33.105 0.050 . 1 . . . . 161 LYS CB . 26887 1 582 . 1 1 52 52 LYS CG C 13 24.690 0.050 . 1 . . . . 161 LYS CG . 26887 1 583 . 1 1 52 52 LYS CD C 13 29.110 0.050 . 1 . . . . 161 LYS CD . 26887 1 584 . 1 1 52 52 LYS CE C 13 42.000 0.050 . 1 . . . . 161 LYS CE . 26887 1 585 . 1 1 52 52 LYS N N 15 122.383 0.050 . 1 . . . . 161 LYS N . 26887 1 586 . 1 1 53 53 LYS H H 1 8.432 0.010 . 1 . . . . 162 LYS H . 26887 1 587 . 1 1 53 53 LYS HA H 1 4.249 0.010 . 1 . . . . 162 LYS HA . 26887 1 588 . 1 1 53 53 LYS HB2 H 1 1.760 0.010 . 2 . . . . 162 LYS HB2 . 26887 1 589 . 1 1 53 53 LYS HB3 H 1 1.715 0.010 . 2 . . . . 162 LYS HB3 . 26887 1 590 . 1 1 53 53 LYS HG2 H 1 1.437 0.010 . 2 . . . . 162 LYS HG2 . 26887 1 591 . 1 1 53 53 LYS HG3 H 1 1.437 0.010 . 2 . . . . 162 LYS HG3 . 26887 1 592 . 1 1 53 53 LYS HD2 H 1 1.670 0.010 . 2 . . . . 162 LYS HD2 . 26887 1 593 . 1 1 53 53 LYS HD3 H 1 1.670 0.010 . 2 . . . . 162 LYS HD3 . 26887 1 594 . 1 1 53 53 LYS HE2 H 1 2.980 0.010 . 2 . . . . 162 LYS HE2 . 26887 1 595 . 1 1 53 53 LYS HE3 H 1 2.980 0.010 . 2 . . . . 162 LYS HE3 . 26887 1 596 . 1 1 53 53 LYS C C 13 176.063 0.050 . 1 . . . . 162 LYS C . 26887 1 597 . 1 1 53 53 LYS CA C 13 56.094 0.050 . 1 . . . . 162 LYS CA . 26887 1 598 . 1 1 53 53 LYS CB C 13 33.196 0.050 . 1 . . . . 162 LYS CB . 26887 1 599 . 1 1 53 53 LYS CG C 13 24.517 0.050 . 1 . . . . 162 LYS CG . 26887 1 600 . 1 1 53 53 LYS CD C 13 29.061 0.050 . 1 . . . . 162 LYS CD . 26887 1 601 . 1 1 53 53 LYS CE C 13 42.000 0.050 . 1 . . . . 162 LYS CE . 26887 1 602 . 1 1 53 53 LYS N N 15 123.537 0.050 . 1 . . . . 162 LYS N . 26887 1 603 . 1 1 54 54 ALA H H 1 8.465 0.010 . 1 . . . . 163 ALA H . 26887 1 604 . 1 1 54 54 ALA HA H 1 4.247 0.010 . 1 . . . . 163 ALA HA . 26887 1 605 . 1 1 54 54 ALA HB1 H 1 1.337 0.010 . 1 . . . . 163 ALA MB . 26887 1 606 . 1 1 54 54 ALA HB2 H 1 1.337 0.010 . 1 . . . . 163 ALA MB . 26887 1 607 . 1 1 54 54 ALA HB3 H 1 1.337 0.010 . 1 . . . . 163 ALA MB . 26887 1 608 . 1 1 54 54 ALA C C 13 177.053 0.050 . 1 . . . . 163 ALA C . 26887 1 609 . 1 1 54 54 ALA CA C 13 52.062 0.050 . 1 . . . . 163 ALA CA . 26887 1 610 . 1 1 54 54 ALA CB C 13 19.203 0.050 . 1 . . . . 163 ALA CB . 26887 1 611 . 1 1 54 54 ALA N N 15 126.588 0.050 . 1 . . . . 163 ALA N . 26887 1 612 . 1 1 55 55 ALA H H 1 8.453 0.010 . 1 . . . . 164 ALA H . 26887 1 613 . 1 1 55 55 ALA HA H 1 4.550 0.010 . 1 . . . . 164 ALA HA . 26887 1 614 . 1 1 55 55 ALA HB1 H 1 1.330 0.010 . 1 . . . . 164 ALA MB . 26887 1 615 . 1 1 55 55 ALA HB2 H 1 1.330 0.010 . 1 . . . . 164 ALA MB . 26887 1 616 . 1 1 55 55 ALA HB3 H 1 1.330 0.010 . 1 . . . . 164 ALA MB . 26887 1 617 . 1 1 55 55 ALA C C 13 175.383 0.050 . 1 . . . . 164 ALA C . 26887 1 618 . 1 1 55 55 ALA CA C 13 50.290 0.050 . 1 . . . . 164 ALA CA . 26887 1 619 . 1 1 55 55 ALA CB C 13 18.030 0.050 . 1 . . . . 164 ALA CB . 26887 1 620 . 1 1 55 55 ALA N N 15 125.627 0.050 . 1 . . . . 164 ALA N . 26887 1 621 . 1 1 56 56 PRO HA H 1 4.371 0.010 . 1 . . . . 165 PRO HA . 26887 1 622 . 1 1 56 56 PRO HB2 H 1 2.282 0.010 . 2 . . . . 165 PRO HB2 . 26887 1 623 . 1 1 56 56 PRO HB3 H 1 1.873 0.010 . 2 . . . . 165 PRO HB3 . 26887 1 624 . 1 1 56 56 PRO HG2 H 1 2.005 0.010 . 2 . . . . 165 PRO HG2 . 26887 1 625 . 1 1 56 56 PRO HG3 H 1 2.005 0.010 . 2 . . . . 165 PRO HG3 . 26887 1 626 . 1 1 56 56 PRO HD2 H 1 3.790 0.010 . 2 . . . . 165 PRO HD2 . 26887 1 627 . 1 1 56 56 PRO HD3 H 1 3.618 0.010 . 2 . . . . 165 PRO HD3 . 26887 1 628 . 1 1 56 56 PRO C C 13 176.572 0.050 . 1 . . . . 165 PRO C . 26887 1 629 . 1 1 56 56 PRO CA C 13 62.623 0.050 . 1 . . . . 165 PRO CA . 26887 1 630 . 1 1 56 56 PRO CB C 13 32.033 0.050 . 1 . . . . 165 PRO CB . 26887 1 631 . 1 1 56 56 PRO CG C 13 27.359 0.050 . 1 . . . . 165 PRO CG . 26887 1 632 . 1 1 56 56 PRO CD C 13 50.300 0.050 . 1 . . . . 165 PRO CD . 26887 1 633 . 1 1 57 57 ALA H H 1 8.490 0.010 . 1 . . . . 166 ALA H . 26887 1 634 . 1 1 57 57 ALA HA H 1 4.250 0.010 . 1 . . . . 166 ALA HA . 26887 1 635 . 1 1 57 57 ALA HB1 H 1 1.358 0.010 . 1 . . . . 166 ALA MB . 26887 1 636 . 1 1 57 57 ALA HB2 H 1 1.358 0.010 . 1 . . . . 166 ALA MB . 26887 1 637 . 1 1 57 57 ALA HB3 H 1 1.358 0.010 . 1 . . . . 166 ALA MB . 26887 1 638 . 1 1 57 57 ALA C C 13 177.838 0.050 . 1 . . . . 166 ALA C . 26887 1 639 . 1 1 57 57 ALA CA C 13 52.254 0.050 . 1 . . . . 166 ALA CA . 26887 1 640 . 1 1 57 57 ALA CB C 13 19.203 0.050 . 1 . . . . 166 ALA CB . 26887 1 641 . 1 1 57 57 ALA N N 15 125.025 0.050 . 1 . . . . 166 ALA N . 26887 1 642 . 1 1 58 58 LYS H H 1 8.433 0.010 . 1 . . . . 167 LYS H . 26887 1 643 . 1 1 58 58 LYS HA H 1 4.247 0.010 . 1 . . . . 167 LYS HA . 26887 1 644 . 1 1 58 58 LYS HB2 H 1 1.734 0.010 . 2 . . . . 167 LYS HB2 . 26887 1 645 . 1 1 58 58 LYS HB3 H 1 1.734 0.010 . 2 . . . . 167 LYS HB3 . 26887 1 646 . 1 1 58 58 LYS HG2 H 1 1.436 0.010 . 2 . . . . 167 LYS HG2 . 26887 1 647 . 1 1 58 58 LYS HG3 H 1 1.436 0.010 . 2 . . . . 167 LYS HG3 . 26887 1 648 . 1 1 58 58 LYS HD2 H 1 1.695 0.010 . 2 . . . . 167 LYS HD2 . 26887 1 649 . 1 1 58 58 LYS HD3 H 1 1.695 0.010 . 2 . . . . 167 LYS HD3 . 26887 1 650 . 1 1 58 58 LYS HE2 H 1 2.980 0.010 . 2 . . . . 167 LYS HE2 . 26887 1 651 . 1 1 58 58 LYS HE3 H 1 2.980 0.010 . 2 . . . . 167 LYS HE3 . 26887 1 652 . 1 1 58 58 LYS C C 13 176.570 0.050 . 1 . . . . 167 LYS C . 26887 1 653 . 1 1 58 58 LYS CA C 13 56.250 0.050 . 1 . . . . 167 LYS CA . 26887 1 654 . 1 1 58 58 LYS CB C 13 33.091 0.050 . 1 . . . . 167 LYS CB . 26887 1 655 . 1 1 58 58 LYS CG C 13 24.648 0.050 . 1 . . . . 167 LYS CG . 26887 1 656 . 1 1 58 58 LYS CD C 13 29.119 0.050 . 1 . . . . 167 LYS CD . 26887 1 657 . 1 1 58 58 LYS CE C 13 42.000 0.050 . 1 . . . . 167 LYS CE . 26887 1 658 . 1 1 58 58 LYS N N 15 121.763 0.050 . 1 . . . . 167 LYS N . 26887 1 659 . 1 1 59 59 LYS H H 1 8.450 0.010 . 1 . . . . 168 LYS H . 26887 1 660 . 1 1 59 59 LYS HA H 1 4.249 0.010 . 1 . . . . 168 LYS HA . 26887 1 661 . 1 1 59 59 LYS HB2 H 1 1.742 0.010 . 2 . . . . 168 LYS HB2 . 26887 1 662 . 1 1 59 59 LYS HB3 H 1 1.742 0.010 . 2 . . . . 168 LYS HB3 . 26887 1 663 . 1 1 59 59 LYS HG2 H 1 1.436 0.010 . 2 . . . . 168 LYS HG2 . 26887 1 664 . 1 1 59 59 LYS HG3 H 1 1.436 0.010 . 2 . . . . 168 LYS HG3 . 26887 1 665 . 1 1 59 59 LYS HD2 H 1 1.670 0.010 . 2 . . . . 168 LYS HD2 . 26887 1 666 . 1 1 59 59 LYS HD3 H 1 1.670 0.010 . 2 . . . . 168 LYS HD3 . 26887 1 667 . 1 1 59 59 LYS HE2 H 1 2.980 0.010 . 2 . . . . 168 LYS HE2 . 26887 1 668 . 1 1 59 59 LYS HE3 H 1 2.980 0.010 . 2 . . . . 168 LYS HE3 . 26887 1 669 . 1 1 59 59 LYS C C 13 176.046 0.050 . 1 . . . . 168 LYS C . 26887 1 670 . 1 1 59 59 LYS CA C 13 56.064 0.050 . 1 . . . . 168 LYS CA . 26887 1 671 . 1 1 59 59 LYS CB C 13 33.196 0.050 . 1 . . . . 168 LYS CB . 26887 1 672 . 1 1 59 59 LYS CG C 13 24.516 0.050 . 1 . . . . 168 LYS CG . 26887 1 673 . 1 1 59 59 LYS CD C 13 29.032 0.050 . 1 . . . . 168 LYS CD . 26887 1 674 . 1 1 59 59 LYS CE C 13 42.000 0.050 . 1 . . . . 168 LYS CE . 26887 1 675 . 1 1 59 59 LYS N N 15 124.026 0.050 . 1 . . . . 168 LYS N . 26887 1 676 . 1 1 60 60 ALA H H 1 8.482 0.010 . 1 . . . . 169 ALA H . 26887 1 677 . 1 1 60 60 ALA HA H 1 4.249 0.010 . 1 . . . . 169 ALA HA . 26887 1 678 . 1 1 60 60 ALA HB1 H 1 1.335 0.010 . 1 . . . . 169 ALA MB . 26887 1 679 . 1 1 60 60 ALA HB2 H 1 1.335 0.010 . 1 . . . . 169 ALA MB . 26887 1 680 . 1 1 60 60 ALA HB3 H 1 1.335 0.010 . 1 . . . . 169 ALA MB . 26887 1 681 . 1 1 60 60 ALA C C 13 177.052 0.050 . 1 . . . . 169 ALA C . 26887 1 682 . 1 1 60 60 ALA CA C 13 52.034 0.050 . 1 . . . . 169 ALA CA . 26887 1 683 . 1 1 60 60 ALA CB C 13 19.438 0.050 . 1 . . . . 169 ALA CB . 26887 1 684 . 1 1 60 60 ALA N N 15 126.698 0.050 . 1 . . . . 169 ALA N . 26887 1 685 . 1 1 61 61 ALA H H 1 8.466 0.010 . 1 . . . . 170 ALA H . 26887 1 686 . 1 1 61 61 ALA HA H 1 4.550 0.010 . 1 . . . . 170 ALA HA . 26887 1 687 . 1 1 61 61 ALA HB1 H 1 1.330 0.010 . 1 . . . . 170 ALA MB . 26887 1 688 . 1 1 61 61 ALA HB2 H 1 1.330 0.010 . 1 . . . . 170 ALA MB . 26887 1 689 . 1 1 61 61 ALA HB3 H 1 1.330 0.010 . 1 . . . . 170 ALA MB . 26887 1 690 . 1 1 61 61 ALA C C 13 175.401 0.050 . 1 . . . . 170 ALA C . 26887 1 691 . 1 1 61 61 ALA CA C 13 50.288 0.050 . 1 . . . . 170 ALA CA . 26887 1 692 . 1 1 61 61 ALA CB C 13 18.028 0.050 . 1 . . . . 170 ALA CB . 26887 1 693 . 1 1 61 61 ALA N N 15 125.693 0.050 . 1 . . . . 170 ALA N . 26887 1 694 . 1 1 62 62 PRO HA H 1 4.381 0.010 . 1 . . . . 171 PRO HA . 26887 1 695 . 1 1 62 62 PRO HB2 H 1 2.293 0.010 . 2 . . . . 171 PRO HB2 . 26887 1 696 . 1 1 62 62 PRO HB3 H 1 1.888 0.010 . 2 . . . . 171 PRO HB3 . 26887 1 697 . 1 1 62 62 PRO HG2 H 1 2.005 0.010 . 2 . . . . 171 PRO HG2 . 26887 1 698 . 1 1 62 62 PRO HG3 H 1 2.005 0.010 . 2 . . . . 171 PRO HG3 . 26887 1 699 . 1 1 62 62 PRO HD2 H 1 3.790 0.010 . 2 . . . . 171 PRO HD2 . 26887 1 700 . 1 1 62 62 PRO HD3 H 1 3.618 0.010 . 2 . . . . 171 PRO HD3 . 26887 1 701 . 1 1 62 62 PRO C C 13 176.572 0.050 . 1 . . . . 171 PRO C . 26887 1 702 . 1 1 62 62 PRO CA C 13 62.767 0.050 . 1 . . . . 171 PRO CA . 26887 1 703 . 1 1 62 62 PRO CB C 13 32.013 0.050 . 1 . . . . 171 PRO CB . 26887 1 704 . 1 1 62 62 PRO CG C 13 27.359 0.050 . 1 . . . . 171 PRO CG . 26887 1 705 . 1 1 62 62 PRO CD C 13 50.300 0.050 . 1 . . . . 171 PRO CD . 26887 1 706 . 1 1 63 63 ALA H H 1 8.490 0.010 . 1 . . . . 172 ALA H . 26887 1 707 . 1 1 63 63 ALA HA H 1 4.251 0.010 . 1 . . . . 172 ALA HA . 26887 1 708 . 1 1 63 63 ALA HB1 H 1 1.358 0.010 . 1 . . . . 172 ALA MB . 26887 1 709 . 1 1 63 63 ALA HB2 H 1 1.358 0.010 . 1 . . . . 172 ALA MB . 26887 1 710 . 1 1 63 63 ALA HB3 H 1 1.358 0.010 . 1 . . . . 172 ALA MB . 26887 1 711 . 1 1 63 63 ALA C C 13 177.838 0.050 . 1 . . . . 172 ALA C . 26887 1 712 . 1 1 63 63 ALA CA C 13 52.272 0.050 . 1 . . . . 172 ALA CA . 26887 1 713 . 1 1 63 63 ALA CB C 13 19.181 0.050 . 1 . . . . 172 ALA CB . 26887 1 714 . 1 1 63 63 ALA N N 15 125.025 0.050 . 1 . . . . 172 ALA N . 26887 1 715 . 1 1 64 64 LYS H H 1 8.433 0.010 . 1 . . . . 173 LYS H . 26887 1 716 . 1 1 64 64 LYS HA H 1 4.249 0.010 . 1 . . . . 173 LYS HA . 26887 1 717 . 1 1 64 64 LYS HB2 H 1 1.735 0.010 . 2 . . . . 173 LYS HB2 . 26887 1 718 . 1 1 64 64 LYS HB3 H 1 1.735 0.010 . 2 . . . . 173 LYS HB3 . 26887 1 719 . 1 1 64 64 LYS HG2 H 1 1.424 0.010 . 2 . . . . 173 LYS HG2 . 26887 1 720 . 1 1 64 64 LYS HG3 H 1 1.424 0.010 . 2 . . . . 173 LYS HG3 . 26887 1 721 . 1 1 64 64 LYS HD2 H 1 1.674 0.010 . 2 . . . . 173 LYS HD2 . 26887 1 722 . 1 1 64 64 LYS HD3 H 1 1.674 0.010 . 2 . . . . 173 LYS HD3 . 26887 1 723 . 1 1 64 64 LYS HE2 H 1 2.980 0.010 . 2 . . . . 173 LYS HE2 . 26887 1 724 . 1 1 64 64 LYS HE3 H 1 2.980 0.010 . 2 . . . . 173 LYS HE3 . 26887 1 725 . 1 1 64 64 LYS C C 13 176.570 0.050 . 1 . . . . 173 LYS C . 26887 1 726 . 1 1 64 64 LYS CA C 13 56.036 0.050 . 1 . . . . 173 LYS CA . 26887 1 727 . 1 1 64 64 LYS CB C 13 33.151 0.050 . 1 . . . . 173 LYS CB . 26887 1 728 . 1 1 64 64 LYS CG C 13 24.611 0.050 . 1 . . . . 173 LYS CG . 26887 1 729 . 1 1 64 64 LYS CD C 13 29.111 0.050 . 1 . . . . 173 LYS CD . 26887 1 730 . 1 1 64 64 LYS CE C 13 42.000 0.050 . 1 . . . . 173 LYS CE . 26887 1 731 . 1 1 64 64 LYS N N 15 121.763 0.050 . 1 . . . . 173 LYS N . 26887 1 732 . 1 1 65 65 LYS H H 1 8.450 0.010 . 1 . . . . 174 LYS H . 26887 1 733 . 1 1 65 65 LYS HA H 1 4.250 0.010 . 1 . . . . 174 LYS HA . 26887 1 734 . 1 1 65 65 LYS HB2 H 1 1.749 0.010 . 2 . . . . 174 LYS HB2 . 26887 1 735 . 1 1 65 65 LYS HB3 H 1 1.749 0.010 . 2 . . . . 174 LYS HB3 . 26887 1 736 . 1 1 65 65 LYS HG2 H 1 1.445 0.010 . 2 . . . . 174 LYS HG2 . 26887 1 737 . 1 1 65 65 LYS HG3 H 1 1.445 0.010 . 2 . . . . 174 LYS HG3 . 26887 1 738 . 1 1 65 65 LYS HD2 H 1 1.694 0.010 . 2 . . . . 174 LYS HD2 . 26887 1 739 . 1 1 65 65 LYS HD3 H 1 1.694 0.010 . 2 . . . . 174 LYS HD3 . 26887 1 740 . 1 1 65 65 LYS HE2 H 1 2.980 0.010 . 2 . . . . 174 LYS HE2 . 26887 1 741 . 1 1 65 65 LYS HE3 H 1 2.980 0.010 . 2 . . . . 174 LYS HE3 . 26887 1 742 . 1 1 65 65 LYS C C 13 176.194 0.050 . 1 . . . . 174 LYS C . 26887 1 743 . 1 1 65 65 LYS CA C 13 56.196 0.050 . 1 . . . . 174 LYS CA . 26887 1 744 . 1 1 65 65 LYS CB C 13 33.122 0.050 . 1 . . . . 174 LYS CB . 26887 1 745 . 1 1 65 65 LYS CG C 13 24.535 0.050 . 1 . . . . 174 LYS CG . 26887 1 746 . 1 1 65 65 LYS CD C 13 29.078 0.050 . 1 . . . . 174 LYS CD . 26887 1 747 . 1 1 65 65 LYS CE C 13 42.000 0.050 . 1 . . . . 174 LYS CE . 26887 1 748 . 1 1 65 65 LYS N N 15 124.026 0.050 . 1 . . . . 174 LYS N . 26887 1 749 . 1 1 66 66 ALA H H 1 8.482 0.010 . 1 . . . . 175 ALA H . 26887 1 750 . 1 1 66 66 ALA HA H 1 4.270 0.010 . 1 . . . . 175 ALA HA . 26887 1 751 . 1 1 66 66 ALA HB1 H 1 1.335 0.010 . 1 . . . . 175 ALA MB . 26887 1 752 . 1 1 66 66 ALA HB2 H 1 1.335 0.010 . 1 . . . . 175 ALA MB . 26887 1 753 . 1 1 66 66 ALA HB3 H 1 1.335 0.010 . 1 . . . . 175 ALA MB . 26887 1 754 . 1 1 66 66 ALA C C 13 177.052 0.050 . 1 . . . . 175 ALA C . 26887 1 755 . 1 1 66 66 ALA CA C 13 52.296 0.050 . 1 . . . . 175 ALA CA . 26887 1 756 . 1 1 66 66 ALA CB C 13 19.201 0.050 . 1 . . . . 175 ALA CB . 26887 1 757 . 1 1 66 66 ALA N N 15 126.698 0.050 . 1 . . . . 175 ALA N . 26887 1 758 . 1 1 67 67 ALA H H 1 8.466 0.010 . 1 . . . . 176 ALA H . 26887 1 759 . 1 1 67 67 ALA HA H 1 4.550 0.010 . 1 . . . . 176 ALA HA . 26887 1 760 . 1 1 67 67 ALA HB1 H 1 1.330 0.010 . 1 . . . . 176 ALA MB . 26887 1 761 . 1 1 67 67 ALA HB2 H 1 1.330 0.010 . 1 . . . . 176 ALA MB . 26887 1 762 . 1 1 67 67 ALA HB3 H 1 1.330 0.010 . 1 . . . . 176 ALA MB . 26887 1 763 . 1 1 67 67 ALA C C 13 175.401 0.050 . 1 . . . . 176 ALA C . 26887 1 764 . 1 1 67 67 ALA CA C 13 50.466 0.050 . 1 . . . . 176 ALA CA . 26887 1 765 . 1 1 67 67 ALA CB C 13 18.060 0.050 . 1 . . . . 176 ALA CB . 26887 1 766 . 1 1 67 67 ALA N N 15 125.693 0.050 . 1 . . . . 176 ALA N . 26887 1 767 . 1 1 68 68 PRO HA H 1 4.371 0.010 . 1 . . . . 177 PRO HA . 26887 1 768 . 1 1 68 68 PRO HB2 H 1 2.283 0.010 . 2 . . . . 177 PRO HB2 . 26887 1 769 . 1 1 68 68 PRO HB3 H 1 1.881 0.010 . 2 . . . . 177 PRO HB3 . 26887 1 770 . 1 1 68 68 PRO HG2 H 1 2.005 0.010 . 2 . . . . 177 PRO HG2 . 26887 1 771 . 1 1 68 68 PRO HG3 H 1 2.005 0.010 . 2 . . . . 177 PRO HG3 . 26887 1 772 . 1 1 68 68 PRO HD2 H 1 3.790 0.010 . 2 . . . . 177 PRO HD2 . 26887 1 773 . 1 1 68 68 PRO HD3 H 1 3.618 0.010 . 2 . . . . 177 PRO HD3 . 26887 1 774 . 1 1 68 68 PRO C C 13 176.572 0.050 . 1 . . . . 177 PRO C . 26887 1 775 . 1 1 68 68 PRO CA C 13 62.789 0.050 . 1 . . . . 177 PRO CA . 26887 1 776 . 1 1 68 68 PRO CB C 13 32.015 0.050 . 1 . . . . 177 PRO CB . 26887 1 777 . 1 1 68 68 PRO CG C 13 27.359 0.050 . 1 . . . . 177 PRO CG . 26887 1 778 . 1 1 68 68 PRO CD C 13 50.300 0.050 . 1 . . . . 177 PRO CD . 26887 1 779 . 1 1 69 69 ALA H H 1 8.502 0.010 . 1 . . . . 178 ALA H . 26887 1 780 . 1 1 69 69 ALA HA H 1 4.249 0.010 . 1 . . . . 178 ALA HA . 26887 1 781 . 1 1 69 69 ALA HB1 H 1 1.359 0.010 . 1 . . . . 178 ALA MB . 26887 1 782 . 1 1 69 69 ALA HB2 H 1 1.359 0.010 . 1 . . . . 178 ALA MB . 26887 1 783 . 1 1 69 69 ALA HB3 H 1 1.359 0.010 . 1 . . . . 178 ALA MB . 26887 1 784 . 1 1 69 69 ALA C C 13 177.838 0.050 . 1 . . . . 178 ALA C . 26887 1 785 . 1 1 69 69 ALA CA C 13 52.510 0.050 . 1 . . . . 178 ALA CA . 26887 1 786 . 1 1 69 69 ALA CB C 13 19.056 0.050 . 1 . . . . 178 ALA CB . 26887 1 787 . 1 1 69 69 ALA N N 15 125.048 0.050 . 1 . . . . 178 ALA N . 26887 1 788 . 1 1 70 70 LYS H H 1 8.391 0.010 . 1 . . . . 179 LYS H . 26887 1 789 . 1 1 70 70 LYS HA H 1 4.254 0.010 . 1 . . . . 179 LYS HA . 26887 1 790 . 1 1 70 70 LYS HB2 H 1 1.762 0.010 . 2 . . . . 179 LYS HB2 . 26887 1 791 . 1 1 70 70 LYS HB3 H 1 1.762 0.010 . 2 . . . . 179 LYS HB3 . 26887 1 792 . 1 1 70 70 LYS HG2 H 1 1.437 0.010 . 2 . . . . 179 LYS HG2 . 26887 1 793 . 1 1 70 70 LYS HG3 H 1 1.437 0.010 . 2 . . . . 179 LYS HG3 . 26887 1 794 . 1 1 70 70 LYS HD2 H 1 1.693 0.010 . 2 . . . . 179 LYS HD2 . 26887 1 795 . 1 1 70 70 LYS HD3 H 1 1.693 0.010 . 2 . . . . 179 LYS HD3 . 26887 1 796 . 1 1 70 70 LYS HE2 H 1 2.980 0.010 . 2 . . . . 179 LYS HE2 . 26887 1 797 . 1 1 70 70 LYS HE3 H 1 2.980 0.010 . 2 . . . . 179 LYS HE3 . 26887 1 798 . 1 1 70 70 LYS C C 13 176.532 0.050 . 1 . . . . 179 LYS C . 26887 1 799 . 1 1 70 70 LYS CA C 13 56.262 0.050 . 1 . . . . 179 LYS CA . 26887 1 800 . 1 1 70 70 LYS CB C 13 33.032 0.050 . 1 . . . . 179 LYS CB . 26887 1 801 . 1 1 70 70 LYS CG C 13 24.748 0.050 . 1 . . . . 179 LYS CG . 26887 1 802 . 1 1 70 70 LYS CD C 13 29.068 0.050 . 1 . . . . 179 LYS CD . 26887 1 803 . 1 1 70 70 LYS CE C 13 42.000 0.050 . 1 . . . . 179 LYS CE . 26887 1 804 . 1 1 70 70 LYS N N 15 121.743 0.050 . 1 . . . . 179 LYS N . 26887 1 805 . 1 1 71 71 LYS H H 1 8.472 0.010 . 1 . . . . 180 LYS H . 26887 1 806 . 1 1 71 71 LYS HA H 1 4.253 0.010 . 1 . . . . 180 LYS HA . 26887 1 807 . 1 1 71 71 LYS HB2 H 1 1.778 0.010 . 2 . . . . 180 LYS HB2 . 26887 1 808 . 1 1 71 71 LYS HB3 H 1 1.778 0.010 . 2 . . . . 180 LYS HB3 . 26887 1 809 . 1 1 71 71 LYS HG2 H 1 1.446 0.010 . 2 . . . . 180 LYS HG2 . 26887 1 810 . 1 1 71 71 LYS HG3 H 1 1.446 0.010 . 2 . . . . 180 LYS HG3 . 26887 1 811 . 1 1 71 71 LYS HD2 H 1 1.696 0.010 . 2 . . . . 180 LYS HD2 . 26887 1 812 . 1 1 71 71 LYS HD3 H 1 1.696 0.010 . 2 . . . . 180 LYS HD3 . 26887 1 813 . 1 1 71 71 LYS HE2 H 1 2.980 0.010 . 2 . . . . 180 LYS HE2 . 26887 1 814 . 1 1 71 71 LYS HE3 H 1 2.980 0.010 . 2 . . . . 180 LYS HE3 . 26887 1 815 . 1 1 71 71 LYS C C 13 176.194 0.050 . 1 . . . . 180 LYS C . 26887 1 816 . 1 1 71 71 LYS CA C 13 56.454 0.050 . 1 . . . . 180 LYS CA . 26887 1 817 . 1 1 71 71 LYS CB C 13 33.104 0.050 . 1 . . . . 180 LYS CB . 26887 1 818 . 1 1 71 71 LYS CG C 13 24.655 0.050 . 1 . . . . 180 LYS CG . 26887 1 819 . 1 1 71 71 LYS CD C 13 29.000 0.050 . 1 . . . . 180 LYS CD . 26887 1 820 . 1 1 71 71 LYS CE C 13 42.000 0.050 . 1 . . . . 180 LYS CE . 26887 1 821 . 1 1 71 71 LYS N N 15 124.153 0.050 . 1 . . . . 180 LYS N . 26887 1 822 . 1 1 72 72 ALA H H 1 8.482 0.010 . 1 . . . . 181 ALA H . 26887 1 823 . 1 1 72 72 ALA HA H 1 4.226 0.010 . 1 . . . . 181 ALA HA . 26887 1 824 . 1 1 72 72 ALA HB1 H 1 1.363 0.010 . 1 . . . . 181 ALA MB . 26887 1 825 . 1 1 72 72 ALA HB2 H 1 1.363 0.010 . 1 . . . . 181 ALA MB . 26887 1 826 . 1 1 72 72 ALA HB3 H 1 1.363 0.010 . 1 . . . . 181 ALA MB . 26887 1 827 . 1 1 72 72 ALA C C 13 177.408 0.050 . 1 . . . . 181 ALA C . 26887 1 828 . 1 1 72 72 ALA CA C 13 52.525 0.050 . 1 . . . . 181 ALA CA . 26887 1 829 . 1 1 72 72 ALA CB C 13 18.969 0.050 . 1 . . . . 181 ALA CB . 26887 1 830 . 1 1 72 72 ALA N N 15 126.698 0.050 . 1 . . . . 181 ALA N . 26887 1 831 . 1 1 73 73 ALA H H 1 8.411 0.010 . 1 . . . . 182 ALA H . 26887 1 832 . 1 1 73 73 ALA HA H 1 4.226 0.010 . 1 . . . . 182 ALA HA . 26887 1 833 . 1 1 73 73 ALA HB1 H 1 1.358 0.010 . 1 . . . . 182 ALA MB . 26887 1 834 . 1 1 73 73 ALA HB2 H 1 1.358 0.010 . 1 . . . . 182 ALA MB . 26887 1 835 . 1 1 73 73 ALA HB3 H 1 1.358 0.010 . 1 . . . . 182 ALA MB . 26887 1 836 . 1 1 73 73 ALA C C 13 177.477 0.050 . 1 . . . . 182 ALA C . 26887 1 837 . 1 1 73 73 ALA CA C 13 52.285 0.050 . 1 . . . . 182 ALA CA . 26887 1 838 . 1 1 73 73 ALA CB C 13 18.978 0.050 . 1 . . . . 182 ALA CB . 26887 1 839 . 1 1 73 73 ALA N N 15 124.366 0.050 . 1 . . . . 182 ALA N . 26887 1 840 . 1 1 74 74 ALA H H 1 8.386 0.010 . 1 . . . . 183 ALA H . 26887 1 841 . 1 1 74 74 ALA HA H 1 4.249 0.010 . 1 . . . . 183 ALA HA . 26887 1 842 . 1 1 74 74 ALA HB1 H 1 1.348 0.010 . 1 . . . . 183 ALA MB . 26887 1 843 . 1 1 74 74 ALA HB2 H 1 1.348 0.010 . 1 . . . . 183 ALA MB . 26887 1 844 . 1 1 74 74 ALA HB3 H 1 1.348 0.010 . 1 . . . . 183 ALA MB . 26887 1 845 . 1 1 74 74 ALA C C 13 177.763 0.050 . 1 . . . . 183 ALA C . 26887 1 846 . 1 1 74 74 ALA CA C 13 52.289 0.050 . 1 . . . . 183 ALA CA . 26887 1 847 . 1 1 74 74 ALA CB C 13 19.179 0.050 . 1 . . . . 183 ALA CB . 26887 1 848 . 1 1 74 74 ALA N N 15 124.316 0.050 . 1 . . . . 183 ALA N . 26887 1 849 . 1 1 75 75 LYS H H 1 8.418 0.010 . 1 . . . . 184 LYS H . 26887 1 850 . 1 1 75 75 LYS HA H 1 4.249 0.010 . 1 . . . . 184 LYS HA . 26887 1 851 . 1 1 75 75 LYS HB2 H 1 1.771 0.010 . 2 . . . . 184 LYS HB2 . 26887 1 852 . 1 1 75 75 LYS HB3 H 1 1.771 0.010 . 2 . . . . 184 LYS HB3 . 26887 1 853 . 1 1 75 75 LYS HG2 H 1 1.459 0.010 . 2 . . . . 184 LYS HG2 . 26887 1 854 . 1 1 75 75 LYS HG3 H 1 1.459 0.010 . 2 . . . . 184 LYS HG3 . 26887 1 855 . 1 1 75 75 LYS HD2 H 1 1.699 0.010 . 2 . . . . 184 LYS HD2 . 26887 1 856 . 1 1 75 75 LYS HD3 H 1 1.699 0.010 . 2 . . . . 184 LYS HD3 . 26887 1 857 . 1 1 75 75 LYS HE2 H 1 2.980 0.010 . 2 . . . . 184 LYS HE2 . 26887 1 858 . 1 1 75 75 LYS HE3 H 1 2.980 0.010 . 2 . . . . 184 LYS HE3 . 26887 1 859 . 1 1 75 75 LYS C C 13 176.513 0.050 . 1 . . . . 184 LYS C . 26887 1 860 . 1 1 75 75 LYS CA C 13 56.247 0.050 . 1 . . . . 184 LYS CA . 26887 1 861 . 1 1 75 75 LYS CB C 13 33.073 0.050 . 1 . . . . 184 LYS CB . 26887 1 862 . 1 1 75 75 LYS CG C 13 24.733 0.050 . 1 . . . . 184 LYS CG . 26887 1 863 . 1 1 75 75 LYS CD C 13 29.074 0.050 . 1 . . . . 184 LYS CD . 26887 1 864 . 1 1 75 75 LYS CE C 13 42.000 0.050 . 1 . . . . 184 LYS CE . 26887 1 865 . 1 1 75 75 LYS N N 15 121.799 0.050 . 1 . . . . 184 LYS N . 26887 1 866 . 1 1 76 76 LYS H H 1 8.453 0.010 . 1 . . . . 185 LYS H . 26887 1 867 . 1 1 76 76 LYS HA H 1 4.272 0.010 . 1 . . . . 185 LYS HA . 26887 1 868 . 1 1 76 76 LYS HB2 H 1 1.736 0.010 . 2 . . . . 185 LYS HB2 . 26887 1 869 . 1 1 76 76 LYS HB3 H 1 1.736 0.010 . 2 . . . . 185 LYS HB3 . 26887 1 870 . 1 1 76 76 LYS HG2 H 1 1.430 0.010 . 2 . . . . 185 LYS HG2 . 26887 1 871 . 1 1 76 76 LYS HG3 H 1 1.430 0.010 . 2 . . . . 185 LYS HG3 . 26887 1 872 . 1 1 76 76 LYS HD2 H 1 1.693 0.010 . 2 . . . . 185 LYS HD2 . 26887 1 873 . 1 1 76 76 LYS HD3 H 1 1.693 0.010 . 2 . . . . 185 LYS HD3 . 26887 1 874 . 1 1 76 76 LYS HE2 H 1 2.980 0.010 . 2 . . . . 185 LYS HE2 . 26887 1 875 . 1 1 76 76 LYS HE3 H 1 2.980 0.010 . 2 . . . . 185 LYS HE3 . 26887 1 876 . 1 1 76 76 LYS C C 13 175.928 0.050 . 1 . . . . 185 LYS C . 26887 1 877 . 1 1 76 76 LYS CA C 13 56.019 0.050 . 1 . . . . 185 LYS CA . 26887 1 878 . 1 1 76 76 LYS CB C 13 33.156 0.050 . 1 . . . . 185 LYS CB . 26887 1 879 . 1 1 76 76 LYS CG C 13 24.496 0.050 . 1 . . . . 185 LYS CG . 26887 1 880 . 1 1 76 76 LYS CD C 13 28.924 0.050 . 1 . . . . 185 LYS CD . 26887 1 881 . 1 1 76 76 LYS CE C 13 42.000 0.050 . 1 . . . . 185 LYS CE . 26887 1 882 . 1 1 76 76 LYS N N 15 124.011 0.050 . 1 . . . . 185 LYS N . 26887 1 883 . 1 1 77 77 ALA H H 1 8.531 0.010 . 1 . . . . 186 ALA H . 26887 1 884 . 1 1 77 77 ALA HA H 1 4.550 0.010 . 1 . . . . 186 ALA HA . 26887 1 885 . 1 1 77 77 ALA HB1 H 1 1.330 0.010 . 1 . . . . 186 ALA MB . 26887 1 886 . 1 1 77 77 ALA HB2 H 1 1.330 0.010 . 1 . . . . 186 ALA MB . 26887 1 887 . 1 1 77 77 ALA HB3 H 1 1.330 0.010 . 1 . . . . 186 ALA MB . 26887 1 888 . 1 1 77 77 ALA C C 13 175.226 0.050 . 1 . . . . 186 ALA C . 26887 1 889 . 1 1 77 77 ALA CA C 13 50.453 0.050 . 1 . . . . 186 ALA CA . 26887 1 890 . 1 1 77 77 ALA CB C 13 17.907 0.050 . 1 . . . . 186 ALA CB . 26887 1 891 . 1 1 77 77 ALA N N 15 127.970 0.050 . 1 . . . . 186 ALA N . 26887 1 892 . 1 1 78 78 PRO HA H 1 4.371 0.010 . 1 . . . . 187 PRO HA . 26887 1 893 . 1 1 78 78 PRO HB2 H 1 2.283 0.010 . 2 . . . . 187 PRO HB2 . 26887 1 894 . 1 1 78 78 PRO HB3 H 1 1.881 0.010 . 2 . . . . 187 PRO HB3 . 26887 1 895 . 1 1 78 78 PRO HG2 H 1 2.005 0.010 . 2 . . . . 187 PRO HG2 . 26887 1 896 . 1 1 78 78 PRO HG3 H 1 2.005 0.010 . 2 . . . . 187 PRO HG3 . 26887 1 897 . 1 1 78 78 PRO HD2 H 1 3.790 0.010 . 2 . . . . 187 PRO HD2 . 26887 1 898 . 1 1 78 78 PRO HD3 H 1 3.618 0.010 . 2 . . . . 187 PRO HD3 . 26887 1 899 . 1 1 78 78 PRO C C 13 176.572 0.050 . 1 . . . . 187 PRO C . 26887 1 900 . 1 1 78 78 PRO CA C 13 62.789 0.050 . 1 . . . . 187 PRO CA . 26887 1 901 . 1 1 78 78 PRO CB C 13 32.015 0.050 . 1 . . . . 187 PRO CB . 26887 1 902 . 1 1 78 78 PRO CG C 13 27.359 0.050 . 1 . . . . 187 PRO CG . 26887 1 903 . 1 1 78 78 PRO CD C 13 50.300 0.050 . 1 . . . . 187 PRO CD . 26887 1 904 . 1 1 79 79 ALA H H 1 8.502 0.010 . 1 . . . . 188 ALA H . 26887 1 905 . 1 1 79 79 ALA HA H 1 4.249 0.010 . 1 . . . . 188 ALA HA . 26887 1 906 . 1 1 79 79 ALA HB1 H 1 1.359 0.010 . 1 . . . . 188 ALA MB . 26887 1 907 . 1 1 79 79 ALA HB2 H 1 1.359 0.010 . 1 . . . . 188 ALA MB . 26887 1 908 . 1 1 79 79 ALA HB3 H 1 1.359 0.010 . 1 . . . . 188 ALA MB . 26887 1 909 . 1 1 79 79 ALA C C 13 177.838 0.050 . 1 . . . . 188 ALA C . 26887 1 910 . 1 1 79 79 ALA CA C 13 52.510 0.050 . 1 . . . . 188 ALA CA . 26887 1 911 . 1 1 79 79 ALA CB C 13 19.039 0.050 . 1 . . . . 188 ALA CB . 26887 1 912 . 1 1 79 79 ALA N N 15 125.048 0.050 . 1 . . . . 188 ALA N . 26887 1 913 . 1 1 80 80 LYS H H 1 8.433 0.010 . 1 . . . . 189 LYS H . 26887 1 914 . 1 1 80 80 LYS HA H 1 4.240 0.010 . 1 . . . . 189 LYS HA . 26887 1 915 . 1 1 80 80 LYS HB2 H 1 1.767 0.010 . 2 . . . . 189 LYS HB2 . 26887 1 916 . 1 1 80 80 LYS HB3 H 1 1.717 0.010 . 2 . . . . 189 LYS HB3 . 26887 1 917 . 1 1 80 80 LYS HG2 H 1 1.440 0.010 . 2 . . . . 189 LYS HG2 . 26887 1 918 . 1 1 80 80 LYS HG3 H 1 1.410 0.010 . 2 . . . . 189 LYS HG3 . 26887 1 919 . 1 1 80 80 LYS HD2 H 1 1.666 0.010 . 2 . . . . 189 LYS HD2 . 26887 1 920 . 1 1 80 80 LYS HD3 H 1 1.666 0.010 . 2 . . . . 189 LYS HD3 . 26887 1 921 . 1 1 80 80 LYS HE2 H 1 2.983 0.010 . 2 . . . . 189 LYS HE2 . 26887 1 922 . 1 1 80 80 LYS HE3 H 1 2.983 0.010 . 2 . . . . 189 LYS HE3 . 26887 1 923 . 1 1 80 80 LYS C C 13 176.570 0.050 . 1 . . . . 189 LYS C . 26887 1 924 . 1 1 80 80 LYS CA C 13 56.296 0.050 . 1 . . . . 189 LYS CA . 26887 1 925 . 1 1 80 80 LYS CB C 13 33.074 0.050 . 1 . . . . 189 LYS CB . 26887 1 926 . 1 1 80 80 LYS CG C 13 24.637 0.050 . 1 . . . . 189 LYS CG . 26887 1 927 . 1 1 80 80 LYS CD C 13 29.000 0.050 . 1 . . . . 189 LYS CD . 26887 1 928 . 1 1 80 80 LYS CE C 13 42.000 0.050 . 1 . . . . 189 LYS CE . 26887 1 929 . 1 1 80 80 LYS N N 15 121.763 0.050 . 1 . . . . 189 LYS N . 26887 1 930 . 1 1 81 81 LYS H H 1 8.472 0.010 . 1 . . . . 190 LYS H . 26887 1 931 . 1 1 81 81 LYS HA H 1 4.227 0.010 . 1 . . . . 190 LYS HA . 26887 1 932 . 1 1 81 81 LYS HB2 H 1 1.767 0.010 . 2 . . . . 190 LYS HB2 . 26887 1 933 . 1 1 81 81 LYS HB3 H 1 1.717 0.010 . 2 . . . . 190 LYS HB3 . 26887 1 934 . 1 1 81 81 LYS HG2 H 1 1.440 0.010 . 2 . . . . 190 LYS HG2 . 26887 1 935 . 1 1 81 81 LYS HG3 H 1 1.410 0.010 . 2 . . . . 190 LYS HG3 . 26887 1 936 . 1 1 81 81 LYS HD2 H 1 1.660 0.010 . 2 . . . . 190 LYS HD2 . 26887 1 937 . 1 1 81 81 LYS HD3 H 1 1.660 0.010 . 2 . . . . 190 LYS HD3 . 26887 1 938 . 1 1 81 81 LYS HE2 H 1 2.983 0.010 . 2 . . . . 190 LYS HE2 . 26887 1 939 . 1 1 81 81 LYS HE3 H 1 2.983 0.010 . 2 . . . . 190 LYS HE3 . 26887 1 940 . 1 1 81 81 LYS C C 13 176.194 0.050 . 1 . . . . 190 LYS C . 26887 1 941 . 1 1 81 81 LYS CA C 13 56.248 0.050 . 1 . . . . 190 LYS CA . 26887 1 942 . 1 1 81 81 LYS CB C 13 32.983 0.050 . 1 . . . . 190 LYS CB . 26887 1 943 . 1 1 81 81 LYS CG C 13 24.637 0.050 . 1 . . . . 190 LYS CG . 26887 1 944 . 1 1 81 81 LYS CD C 13 29.000 0.050 . 1 . . . . 190 LYS CD . 26887 1 945 . 1 1 81 81 LYS CE C 13 42.000 0.050 . 1 . . . . 190 LYS CE . 26887 1 946 . 1 1 81 81 LYS N N 15 124.153 0.050 . 1 . . . . 190 LYS N . 26887 1 947 . 1 1 82 82 ALA H H 1 8.482 0.010 . 1 . . . . 191 ALA H . 26887 1 948 . 1 1 82 82 ALA HA H 1 4.226 0.010 . 1 . . . . 191 ALA HA . 26887 1 949 . 1 1 82 82 ALA HB1 H 1 1.358 0.010 . 1 . . . . 191 ALA MB . 26887 1 950 . 1 1 82 82 ALA HB2 H 1 1.358 0.010 . 1 . . . . 191 ALA MB . 26887 1 951 . 1 1 82 82 ALA HB3 H 1 1.358 0.010 . 1 . . . . 191 ALA MB . 26887 1 952 . 1 1 82 82 ALA C C 13 177.408 0.050 . 1 . . . . 191 ALA C . 26887 1 953 . 1 1 82 82 ALA CA C 13 52.531 0.050 . 1 . . . . 191 ALA CA . 26887 1 954 . 1 1 82 82 ALA CB C 13 19.167 0.050 . 1 . . . . 191 ALA CB . 26887 1 955 . 1 1 82 82 ALA N N 15 126.698 0.050 . 1 . . . . 191 ALA N . 26887 1 956 . 1 1 83 83 ALA H H 1 8.411 0.010 . 1 . . . . 192 ALA H . 26887 1 957 . 1 1 83 83 ALA HA H 1 4.230 0.010 . 1 . . . . 192 ALA HA . 26887 1 958 . 1 1 83 83 ALA HB1 H 1 1.363 0.010 . 1 . . . . 192 ALA MB . 26887 1 959 . 1 1 83 83 ALA HB2 H 1 1.363 0.010 . 1 . . . . 192 ALA MB . 26887 1 960 . 1 1 83 83 ALA HB3 H 1 1.363 0.010 . 1 . . . . 192 ALA MB . 26887 1 961 . 1 1 83 83 ALA C C 13 177.477 0.050 . 1 . . . . 192 ALA C . 26887 1 962 . 1 1 83 83 ALA CA C 13 52.259 0.050 . 1 . . . . 192 ALA CA . 26887 1 963 . 1 1 83 83 ALA CB C 13 19.197 0.050 . 1 . . . . 192 ALA CB . 26887 1 964 . 1 1 83 83 ALA N N 15 124.366 0.050 . 1 . . . . 192 ALA N . 26887 1 965 . 1 1 84 84 ALA H H 1 8.386 0.010 . 1 . . . . 193 ALA H . 26887 1 966 . 1 1 84 84 ALA HA H 1 4.250 0.010 . 1 . . . . 193 ALA HA . 26887 1 967 . 1 1 84 84 ALA HB1 H 1 1.359 0.010 . 1 . . . . 193 ALA MB . 26887 1 968 . 1 1 84 84 ALA HB2 H 1 1.359 0.010 . 1 . . . . 193 ALA MB . 26887 1 969 . 1 1 84 84 ALA HB3 H 1 1.359 0.010 . 1 . . . . 193 ALA MB . 26887 1 970 . 1 1 84 84 ALA C C 13 177.763 0.050 . 1 . . . . 193 ALA C . 26887 1 971 . 1 1 84 84 ALA CA C 13 52.257 0.050 . 1 . . . . 193 ALA CA . 26887 1 972 . 1 1 84 84 ALA CB C 13 19.152 0.050 . 1 . . . . 193 ALA CB . 26887 1 973 . 1 1 84 84 ALA N N 15 124.316 0.050 . 1 . . . . 193 ALA N . 26887 1 974 . 1 1 85 85 LYS H H 1 8.418 0.010 . 1 . . . . 194 LYS H . 26887 1 975 . 1 1 85 85 LYS HA H 1 4.249 0.010 . 1 . . . . 194 LYS HA . 26887 1 976 . 1 1 85 85 LYS HB2 H 1 1.780 0.010 . 2 . . . . 194 LYS HB2 . 26887 1 977 . 1 1 85 85 LYS HB3 H 1 1.730 0.010 . 2 . . . . 194 LYS HB3 . 26887 1 978 . 1 1 85 85 LYS HG2 H 1 1.441 0.010 . 2 . . . . 194 LYS HG2 . 26887 1 979 . 1 1 85 85 LYS HG3 H 1 1.410 0.010 . 2 . . . . 194 LYS HG3 . 26887 1 980 . 1 1 85 85 LYS HD2 H 1 1.666 0.010 . 2 . . . . 194 LYS HD2 . 26887 1 981 . 1 1 85 85 LYS HD3 H 1 1.666 0.010 . 2 . . . . 194 LYS HD3 . 26887 1 982 . 1 1 85 85 LYS HE2 H 1 2.983 0.010 . 2 . . . . 194 LYS HE2 . 26887 1 983 . 1 1 85 85 LYS HE3 H 1 2.983 0.010 . 2 . . . . 194 LYS HE3 . 26887 1 984 . 1 1 85 85 LYS C C 13 176.513 0.050 . 1 . . . . 194 LYS C . 26887 1 985 . 1 1 85 85 LYS CA C 13 56.247 0.050 . 1 . . . . 194 LYS CA . 26887 1 986 . 1 1 85 85 LYS CB C 13 32.780 0.050 . 1 . . . . 194 LYS CB . 26887 1 987 . 1 1 85 85 LYS CG C 13 24.637 0.050 . 1 . . . . 194 LYS CG . 26887 1 988 . 1 1 85 85 LYS CD C 13 29.000 0.050 . 1 . . . . 194 LYS CD . 26887 1 989 . 1 1 85 85 LYS CE C 13 42.000 0.050 . 1 . . . . 194 LYS CE . 26887 1 990 . 1 1 85 85 LYS N N 15 121.799 0.050 . 1 . . . . 194 LYS N . 26887 1 991 . 1 1 86 86 LYS H H 1 8.491 0.010 . 1 . . . . 195 LYS H . 26887 1 992 . 1 1 86 86 LYS HA H 1 4.293 0.010 . 1 . . . . 195 LYS HA . 26887 1 993 . 1 1 86 86 LYS HB2 H 1 1.780 0.010 . 2 . . . . 195 LYS HB2 . 26887 1 994 . 1 1 86 86 LYS HB3 H 1 1.730 0.010 . 2 . . . . 195 LYS HB3 . 26887 1 995 . 1 1 86 86 LYS HG2 H 1 1.440 0.010 . 2 . . . . 195 LYS HG2 . 26887 1 996 . 1 1 86 86 LYS HG3 H 1 1.410 0.010 . 2 . . . . 195 LYS HG3 . 26887 1 997 . 1 1 86 86 LYS HD2 H 1 1.660 0.010 . 2 . . . . 195 LYS HD2 . 26887 1 998 . 1 1 86 86 LYS HD3 H 1 1.660 0.010 . 2 . . . . 195 LYS HD3 . 26887 1 999 . 1 1 86 86 LYS HE2 H 1 2.983 0.010 . 2 . . . . 195 LYS HE2 . 26887 1 1000 . 1 1 86 86 LYS HE3 H 1 2.983 0.010 . 2 . . . . 195 LYS HE3 . 26887 1 1001 . 1 1 86 86 LYS C C 13 176.548 0.050 . 1 . . . . 195 LYS C . 26887 1 1002 . 1 1 86 86 LYS CA C 13 56.486 0.050 . 1 . . . . 195 LYS CA . 26887 1 1003 . 1 1 86 86 LYS CB C 13 32.922 0.050 . 1 . . . . 195 LYS CB . 26887 1 1004 . 1 1 86 86 LYS CG C 13 24.637 0.050 . 1 . . . . 195 LYS CG . 26887 1 1005 . 1 1 86 86 LYS CD C 13 29.000 0.050 . 1 . . . . 195 LYS CD . 26887 1 1006 . 1 1 86 86 LYS CE C 13 42.000 0.050 . 1 . . . . 195 LYS CE . 26887 1 1007 . 1 1 86 86 LYS N N 15 124.227 0.050 . 1 . . . . 195 LYS N . 26887 1 1008 . 1 1 87 87 VAL H H 1 8.449 0.010 . 1 . . . . 196 VAL H . 26887 1 1009 . 1 1 87 87 VAL HA H 1 4.141 0.010 . 1 . . . . 196 VAL HA . 26887 1 1010 . 1 1 87 87 VAL HB H 1 2.048 0.010 . 1 . . . . 196 VAL HB . 26887 1 1011 . 1 1 87 87 VAL HG11 H 1 0.908 0.010 . 2 . . . . 196 VAL MG1 . 26887 1 1012 . 1 1 87 87 VAL HG12 H 1 0.908 0.010 . 2 . . . . 196 VAL MG1 . 26887 1 1013 . 1 1 87 87 VAL HG13 H 1 0.908 0.010 . 2 . . . . 196 VAL MG1 . 26887 1 1014 . 1 1 87 87 VAL HG21 H 1 0.931 0.010 . 2 . . . . 196 VAL MG2 . 26887 1 1015 . 1 1 87 87 VAL HG22 H 1 0.931 0.010 . 2 . . . . 196 VAL MG2 . 26887 1 1016 . 1 1 87 87 VAL HG23 H 1 0.931 0.010 . 2 . . . . 196 VAL MG2 . 26887 1 1017 . 1 1 87 87 VAL C C 13 176.355 0.050 . 1 . . . . 196 VAL C . 26887 1 1018 . 1 1 87 87 VAL CA C 13 62.207 0.050 . 1 . . . . 196 VAL CA . 26887 1 1019 . 1 1 87 87 VAL CB C 13 32.811 0.050 . 1 . . . . 196 VAL CB . 26887 1 1020 . 1 1 87 87 VAL CG1 C 13 21.015 0.050 . 1 . . . . 196 VAL CG1 . 26887 1 1021 . 1 1 87 87 VAL CG2 C 13 20.815 0.050 . 1 . . . . 196 VAL CG2 . 26887 1 1022 . 1 1 87 87 VAL N N 15 123.357 0.050 . 1 . . . . 196 VAL N . 26887 1 1023 . 1 1 88 88 THR H H 1 8.375 0.010 . 1 . . . . 197 THR H . 26887 1 1024 . 1 1 88 88 THR HA H 1 4.312 0.010 . 1 . . . . 197 THR HA . 26887 1 1025 . 1 1 88 88 THR HB H 1 4.146 0.010 . 1 . . . . 197 THR HB . 26887 1 1026 . 1 1 88 88 THR HG21 H 1 1.180 0.010 . 1 . . . . 197 THR MG . 26887 1 1027 . 1 1 88 88 THR HG22 H 1 1.180 0.010 . 1 . . . . 197 THR MG . 26887 1 1028 . 1 1 88 88 THR HG23 H 1 1.180 0.010 . 1 . . . . 197 THR MG . 26887 1 1029 . 1 1 88 88 THR C C 13 174.120 0.050 . 1 . . . . 197 THR C . 26887 1 1030 . 1 1 88 88 THR CA C 13 61.855 0.050 . 1 . . . . 197 THR CA . 26887 1 1031 . 1 1 88 88 THR CB C 13 69.724 0.050 . 1 . . . . 197 THR CB . 26887 1 1032 . 1 1 88 88 THR CG2 C 13 21.520 0.050 . 1 . . . . 197 THR CG2 . 26887 1 1033 . 1 1 88 88 THR N N 15 119.502 0.050 . 1 . . . . 197 THR N . 26887 1 1034 . 1 1 89 89 GLN H H 1 8.508 0.010 . 1 . . . . 198 GLN H . 26887 1 1035 . 1 1 89 89 GLN HA H 1 4.319 0.010 . 1 . . . . 198 GLN HA . 26887 1 1036 . 1 1 89 89 GLN HB2 H 1 2.118 0.010 . 2 . . . . 198 GLN HB2 . 26887 1 1037 . 1 1 89 89 GLN HB3 H 1 1.970 0.010 . 2 . . . . 198 GLN HB3 . 26887 1 1038 . 1 1 89 89 GLN HG2 H 1 2.353 0.010 . 2 . . . . 198 GLN HG2 . 26887 1 1039 . 1 1 89 89 GLN HG3 H 1 2.353 0.010 . 2 . . . . 198 GLN HG3 . 26887 1 1040 . 1 1 89 89 GLN C C 13 174.850 0.050 . 1 . . . . 198 GLN C . 26887 1 1041 . 1 1 89 89 GLN CA C 13 55.766 0.050 . 1 . . . . 198 GLN CA . 26887 1 1042 . 1 1 89 89 GLN CB C 13 29.592 0.050 . 1 . . . . 198 GLN CB . 26887 1 1043 . 1 1 89 89 GLN CG C 13 33.600 0.050 . 1 . . . . 198 GLN CG . 26887 1 1044 . 1 1 89 89 GLN N N 15 124.425 0.050 . 1 . . . . 198 GLN N . 26887 1 1045 . 1 1 90 90 LYS H H 1 8.190 0.010 . 1 . . . . 199 LYS H . 26887 1 1046 . 1 1 90 90 LYS HA H 1 4.110 0.010 . 1 . . . . 199 LYS HA . 26887 1 1047 . 1 1 90 90 LYS HB2 H 1 1.789 0.010 . 2 . . . . 199 LYS HB2 . 26887 1 1048 . 1 1 90 90 LYS HB3 H 1 1.789 0.010 . 2 . . . . 199 LYS HB3 . 26887 1 1049 . 1 1 90 90 LYS HG2 H 1 1.380 0.010 . 2 . . . . 199 LYS HG2 . 26887 1 1050 . 1 1 90 90 LYS HG3 H 1 1.380 0.010 . 2 . . . . 199 LYS HG3 . 26887 1 1051 . 1 1 90 90 LYS HD2 H 1 1.640 0.010 . 2 . . . . 199 LYS HD2 . 26887 1 1052 . 1 1 90 90 LYS HD3 H 1 1.640 0.010 . 2 . . . . 199 LYS HD3 . 26887 1 1053 . 1 1 90 90 LYS HE2 H 1 2.972 0.010 . 2 . . . . 199 LYS HE2 . 26887 1 1054 . 1 1 90 90 LYS HE3 H 1 2.972 0.010 . 2 . . . . 199 LYS HE3 . 26887 1 1055 . 1 1 90 90 LYS C C 13 181.268 0.050 . 1 . . . . 199 LYS C . 26887 1 1056 . 1 1 90 90 LYS CA C 13 57.703 0.050 . 1 . . . . 199 LYS CA . 26887 1 1057 . 1 1 90 90 LYS CB C 13 33.398 0.050 . 1 . . . . 199 LYS CB . 26887 1 1058 . 1 1 90 90 LYS CG C 13 24.630 0.050 . 1 . . . . 199 LYS CG . 26887 1 1059 . 1 1 90 90 LYS CD C 13 29.000 0.050 . 1 . . . . 199 LYS CD . 26887 1 1060 . 1 1 90 90 LYS CE C 13 42.000 0.050 . 1 . . . . 199 LYS CE . 26887 1 1061 . 1 1 90 90 LYS N N 15 129.159 0.050 . 1 . . . . 199 LYS N . 26887 1 stop_ save_