data_51096 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51096 _Entry.Title ; 1H, 13C and 15N chemical shift assignments of the GYF cytoplasmic domain of the GltJ protein from Myxococcus xanthus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-23 _Entry.Accession_date 2021-09-23 _Entry.Last_release_date 2021-09-23 _Entry.Original_release_date 2021-09-23 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Bouchra Attia . . . . 51096 2 Bastien Serrano . . . . 51096 3 Olivier Bornet . . . . 51096 4 Francoise Guerlesquin . . . . 51096 5 Latifa Elantak . . . . 51096 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51096 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 341 51096 '15N chemical shifts' 85 51096 '1H chemical shifts' 521 51096 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-09-28 2021-09-23 update BMRB 'update entry citation' 51096 1 . . 2022-04-20 2021-09-23 original author 'original release' 51096 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51096 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35445965 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N chemical shift assignments of the ZnR and GYF cytoplasmic domains of the GltJ protein from Myxococcus xanthus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 16 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 219 _Citation.Page_last 223 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bouchra Attia B. . . . 51096 1 2 Bastien Serrano B. . . . 51096 1 3 Olivier Bornet O. . . . 51096 1 4 Francoise Guerlesquin F. . . . 51096 1 5 Laetitia My L. . . . 51096 1 6 Jean-Philippe Castaing J. P. . . 51096 1 7 Tam Mignot T. . . . 51096 1 8 Latifa Elantak L. . . . 51096 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51096 _Assembly.ID 1 _Assembly.Name GltJ-GYF _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 GltJ-GYF 1 $entity_1 . . yes native no no . . . 51096 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51096 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMDKEEAKANAAAHEWYV AIDEKQVGPFNVEKVKDLWD RGEVGPDSLCWRSGFSDWIP LSETAELASVLAPRPSKPVI VAPEPVSG ; _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The residue 1-4 represent a non-native affinity tag and residue 5 correspond to the first residue of the native domain, namely Asp 139. ; _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 1 135 GLY . 51096 1 2 136 SER . 51096 1 3 137 HIS . 51096 1 4 138 MET . 51096 1 5 139 ASP . 51096 1 6 140 LYS . 51096 1 7 141 GLU . 51096 1 8 142 GLU . 51096 1 9 143 ALA . 51096 1 10 144 LYS . 51096 1 11 145 ALA . 51096 1 12 146 ASN . 51096 1 13 147 ALA . 51096 1 14 148 ALA . 51096 1 15 149 ALA . 51096 1 16 150 HIS . 51096 1 17 151 GLU . 51096 1 18 152 TRP . 51096 1 19 153 TYR . 51096 1 20 154 VAL . 51096 1 21 155 ALA . 51096 1 22 156 ILE . 51096 1 23 157 ASP . 51096 1 24 158 GLU . 51096 1 25 159 LYS . 51096 1 26 160 GLN . 51096 1 27 161 VAL . 51096 1 28 162 GLY . 51096 1 29 163 PRO . 51096 1 30 164 PHE . 51096 1 31 165 ASN . 51096 1 32 166 VAL . 51096 1 33 167 GLU . 51096 1 34 168 LYS . 51096 1 35 169 VAL . 51096 1 36 170 LYS . 51096 1 37 171 ASP . 51096 1 38 172 LEU . 51096 1 39 173 TRP . 51096 1 40 174 ASP . 51096 1 41 175 ARG . 51096 1 42 176 GLY . 51096 1 43 177 GLU . 51096 1 44 178 VAL . 51096 1 45 179 GLY . 51096 1 46 180 PRO . 51096 1 47 181 ASP . 51096 1 48 182 SER . 51096 1 49 183 LEU . 51096 1 50 184 CYS . 51096 1 51 185 TRP . 51096 1 52 186 ARG . 51096 1 53 187 SER . 51096 1 54 188 GLY . 51096 1 55 189 PHE . 51096 1 56 190 SER . 51096 1 57 191 ASP . 51096 1 58 192 TRP . 51096 1 59 193 ILE . 51096 1 60 194 PRO . 51096 1 61 195 LEU . 51096 1 62 196 SER . 51096 1 63 197 GLU . 51096 1 64 198 THR . 51096 1 65 199 ALA . 51096 1 66 200 GLU . 51096 1 67 201 LEU . 51096 1 68 202 ALA . 51096 1 69 203 SER . 51096 1 70 204 VAL . 51096 1 71 205 LEU . 51096 1 72 206 ALA . 51096 1 73 207 PRO . 51096 1 74 208 ARG . 51096 1 75 209 PRO . 51096 1 76 210 SER . 51096 1 77 211 LYS . 51096 1 78 212 PRO . 51096 1 79 213 VAL . 51096 1 80 214 ILE . 51096 1 81 215 VAL . 51096 1 82 216 ALA . 51096 1 83 217 PRO . 51096 1 84 218 GLU . 51096 1 85 219 PRO . 51096 1 86 220 VAL . 51096 1 87 221 SER . 51096 1 88 222 GLY . 51096 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51096 1 . SER 2 2 51096 1 . HIS 3 3 51096 1 . MET 4 4 51096 1 . ASP 5 5 51096 1 . LYS 6 6 51096 1 . GLU 7 7 51096 1 . GLU 8 8 51096 1 . ALA 9 9 51096 1 . LYS 10 10 51096 1 . ALA 11 11 51096 1 . ASN 12 12 51096 1 . ALA 13 13 51096 1 . ALA 14 14 51096 1 . ALA 15 15 51096 1 . HIS 16 16 51096 1 . GLU 17 17 51096 1 . TRP 18 18 51096 1 . TYR 19 19 51096 1 . VAL 20 20 51096 1 . ALA 21 21 51096 1 . ILE 22 22 51096 1 . ASP 23 23 51096 1 . GLU 24 24 51096 1 . LYS 25 25 51096 1 . GLN 26 26 51096 1 . VAL 27 27 51096 1 . GLY 28 28 51096 1 . PRO 29 29 51096 1 . PHE 30 30 51096 1 . ASN 31 31 51096 1 . VAL 32 32 51096 1 . GLU 33 33 51096 1 . LYS 34 34 51096 1 . VAL 35 35 51096 1 . LYS 36 36 51096 1 . ASP 37 37 51096 1 . LEU 38 38 51096 1 . TRP 39 39 51096 1 . ASP 40 40 51096 1 . ARG 41 41 51096 1 . GLY 42 42 51096 1 . GLU 43 43 51096 1 . VAL 44 44 51096 1 . GLY 45 45 51096 1 . PRO 46 46 51096 1 . ASP 47 47 51096 1 . SER 48 48 51096 1 . LEU 49 49 51096 1 . CYS 50 50 51096 1 . TRP 51 51 51096 1 . ARG 52 52 51096 1 . SER 53 53 51096 1 . GLY 54 54 51096 1 . PHE 55 55 51096 1 . SER 56 56 51096 1 . ASP 57 57 51096 1 . TRP 58 58 51096 1 . ILE 59 59 51096 1 . PRO 60 60 51096 1 . LEU 61 61 51096 1 . SER 62 62 51096 1 . GLU 63 63 51096 1 . THR 64 64 51096 1 . ALA 65 65 51096 1 . GLU 66 66 51096 1 . LEU 67 67 51096 1 . ALA 68 68 51096 1 . SER 69 69 51096 1 . VAL 70 70 51096 1 . LEU 71 71 51096 1 . ALA 72 72 51096 1 . PRO 73 73 51096 1 . ARG 74 74 51096 1 . PRO 75 75 51096 1 . SER 76 76 51096 1 . LYS 77 77 51096 1 . PRO 78 78 51096 1 . VAL 79 79 51096 1 . ILE 80 80 51096 1 . VAL 81 81 51096 1 . ALA 82 82 51096 1 . PRO 83 83 51096 1 . GLU 84 84 51096 1 . PRO 85 85 51096 1 . VAL 86 86 51096 1 . SER 87 87 51096 1 . GLY 88 88 51096 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51096 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 34 organism . 'Myxococcus xanthus' 'Myxococcus xanthus' . . Bacteria . Myxococcus xanthus . . . . . . . . . . . . . 51096 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51096 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28a . . . 51096 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51096 _Sample.ID 1 _Sample.Name GltJ-GYF _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GltJ-GYF '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 51096 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 51096 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 51096 _Sample_condition_list.ID 1 _Sample_condition_list.Name GYF-conditions _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 51096 1 pressure 1 . atm 51096 1 temperature 303 . K 51096 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51096 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51096 1 processing . 51096 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51096 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51096 2 'data analysis' . 51096 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51096 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Spectrometer-IMM _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51096 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51096 1 2 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51096 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51096 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51096 1 5 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51096 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51096 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51096 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51096 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51096 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51096 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 51096 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name GltJ-GYF_shift _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 na indirect . . . . . . 51096 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1 . . . . . 51096 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect . . . . . . 51096 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 51096 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name GltJ-GYF_assigned _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 51096 1 2 '3D HN(CA)CO' . . . 51096 1 3 '3D HN(CO)CA' . . . 51096 1 4 '3D HNCA' . . . 51096 1 5 '3D HN(CO)CACB' . . . 51096 1 6 '3D HNCACB' . . . 51096 1 7 '3D HCCH-TOCSY' . . . 51096 1 8 '3D 1H-15N NOESY' . . . 51096 1 9 '3D 1H-15N TOCSY' . . . 51096 1 10 '3D 1H-13C NOESY' . . . 51096 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51096 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 MET C C 13 175.5583361 0.01237118365 . . . . . . . 138 MET C . 51096 1 2 . 1 . 1 4 4 MET CA C 13 55.39895481 0.002175001109 . . . . . . . 138 MET CA . 51096 1 3 . 1 . 1 4 4 MET CB C 13 32.49311938 0.001840974034 . . . . . . . 138 MET CB . 51096 1 4 . 1 . 1 5 5 ASP H H 1 8.226059454 0.01666402142 . . . . . . . 139 ASP H . 51096 1 5 . 1 . 1 5 5 ASP HA H 1 4.422505988 0.01395322966 . . . . . . . 139 ASP HA . 51096 1 6 . 1 . 1 5 5 ASP HB2 H 1 2.528014187 0.0279730773 . . . . . . . 139 ASP HB2 . 51096 1 7 . 1 . 1 5 5 ASP HB3 H 1 2.52812236 0.02878040016 . . . . . . . 139 ASP HB3 . 51096 1 8 . 1 . 1 5 5 ASP C C 13 175.8934754 0 . . . . . . . 139 ASP C . 51096 1 9 . 1 . 1 5 5 ASP CA C 13 55.69877329 1.376773597 . . . . . . . 139 ASP CA . 51096 1 10 . 1 . 1 5 5 ASP CB C 13 42.32046291 1.400797147 . . . . . . . 139 ASP CB . 51096 1 11 . 1 . 1 5 5 ASP N N 15 121.7033675 0.001128039103 . . . . . . . 139 ASP N . 51096 1 12 . 1 . 1 6 6 LYS H H 1 8.14873109 0.009036629817 . . . . . . . 140 LYS H . 51096 1 13 . 1 . 1 6 6 LYS HA H 1 4.145762634 0.005388324273 . . . . . . . 140 LYS HA . 51096 1 14 . 1 . 1 6 6 LYS HB2 H 1 1.737745942 0.02410051678 . . . . . . . 140 LYS HB2 . 51096 1 15 . 1 . 1 6 6 LYS HB3 H 1 1.738036978 0.02309466873 . . . . . . . 140 LYS HB3 . 51096 1 16 . 1 . 1 6 6 LYS HG2 H 1 1.315336979 0.001399047842 . . . . . . . 140 LYS HG2 . 51096 1 17 . 1 . 1 6 6 LYS HG3 H 1 1.315336979 0.001399047842 . . . . . . . 140 LYS HG3 . 51096 1 18 . 1 . 1 6 6 LYS HD2 H 1 1.552344319 0.02251153584 . . . . . . . 140 LYS HD2 . 51096 1 19 . 1 . 1 6 6 LYS HD3 H 1 1.552344319 0.02251153584 . . . . . . . 140 LYS HD3 . 51096 1 20 . 1 . 1 6 6 LYS HE2 H 1 2.887028218 0.001114739224 . . . . . . . 140 LYS HE2 . 51096 1 21 . 1 . 1 6 6 LYS HE3 H 1 2.887028218 0.001114739223 . . . . . . . 140 LYS HE3 . 51096 1 22 . 1 . 1 6 6 LYS CA C 13 56.67664153 0.1243022803 . . . . . . . 140 LYS CA . 51096 1 23 . 1 . 1 6 6 LYS CB C 13 33.21328247 0.275320391 . . . . . . . 140 LYS CB . 51096 1 24 . 1 . 1 6 6 LYS CG C 13 24.88636932 0.0797131197 . . . . . . . 140 LYS CG . 51096 1 25 . 1 . 1 6 6 LYS CD C 13 28.99539711 0.0781799992 . . . . . . . 140 LYS CD . 51096 1 26 . 1 . 1 6 6 LYS CE C 13 42.3159017 0.1749565178 . . . . . . . 140 LYS CE . 51096 1 27 . 1 . 1 6 6 LYS N N 15 121.1028862 0.0001050514574 . . . . . . . 140 LYS N . 51096 1 28 . 1 . 1 7 7 GLU H H 1 8.29795801 0.01458151408 . . . . . . . 141 GLU H . 51096 1 29 . 1 . 1 7 7 GLU HA H 1 4.096686732 0.01129593229 . . . . . . . 141 GLU HA . 51096 1 30 . 1 . 1 7 7 GLU HB2 H 1 1.83479772 0.01412381437 . . . . . . . 141 GLU HB2 . 51096 1 31 . 1 . 1 7 7 GLU HB3 H 1 1.83479772 0.01412381437 . . . . . . . 141 GLU HB3 . 51096 1 32 . 1 . 1 7 7 GLU HG2 H 1 2.176096858 0.005873950839 . . . . . . . 141 GLU HG2 . 51096 1 33 . 1 . 1 7 7 GLU HG3 H 1 2.176516041 0.005757715448 . . . . . . . 141 GLU HG3 . 51096 1 34 . 1 . 1 7 7 GLU C C 13 176.884664 0.01765209323 . . . . . . . 141 GLU C . 51096 1 35 . 1 . 1 7 7 GLU CA C 13 58.18343265 1.401733291 . . . . . . . 141 GLU CA . 51096 1 36 . 1 . 1 7 7 GLU CB C 13 31.5437328 1.411545854 . . . . . . . 141 GLU CB . 51096 1 37 . 1 . 1 7 7 GLU CG C 13 38.5378836 1.315544435 . . . . . . . 141 GLU CG . 51096 1 38 . 1 . 1 7 7 GLU N N 15 121.5855844 0.02052918462 . . . . . . . 141 GLU N . 51096 1 39 . 1 . 1 8 8 GLU H H 1 8.35577298 0.01702151987 . . . . . . . 142 GLU H . 51096 1 40 . 1 . 1 8 8 GLU HA H 1 4.074234381 0.004898018304 . . . . . . . 142 GLU HA . 51096 1 41 . 1 . 1 8 8 GLU HB2 H 1 1.881305194 0.01588460673 . . . . . . . 142 GLU HB2 . 51096 1 42 . 1 . 1 8 8 GLU HB3 H 1 1.883007235 0.01416344698 . . . . . . . 142 GLU HB3 . 51096 1 43 . 1 . 1 8 8 GLU HG2 H 1 2.160228219 0.00585907198 . . . . . . . 142 GLU HG2 . 51096 1 44 . 1 . 1 8 8 GLU HG3 H 1 2.161146449 0.007031225674 . . . . . . . 142 GLU HG3 . 51096 1 45 . 1 . 1 8 8 GLU C C 13 176.3602089 0.1027968879 . . . . . . . 142 GLU C . 51096 1 46 . 1 . 1 8 8 GLU CA C 13 58.27855001 1.401958587 . . . . . . . 142 GLU CA . 51096 1 47 . 1 . 1 8 8 GLU CB C 13 31.16913517 1.430301505 . . . . . . . 142 GLU CB . 51096 1 48 . 1 . 1 8 8 GLU CG C 13 38.13539716 1.370057523 . . . . . . . 142 GLU CG . 51096 1 49 . 1 . 1 8 8 GLU N N 15 122.4477949 0.01497372362 . . . . . . . 142 GLU N . 51096 1 50 . 1 . 1 9 9 ALA H H 1 8.179553987 0.01634398319 . . . . . . . 143 ALA H . 51096 1 51 . 1 . 1 9 9 ALA HA H 1 4.148988088 0.01590950437 . . . . . . . 143 ALA HA . 51096 1 52 . 1 . 1 9 9 ALA HB1 H 1 1.259965699 0.0113502072 . . . . . . . 143 ALA HB# . 51096 1 53 . 1 . 1 9 9 ALA HB2 H 1 1.259965699 0.0113502072 . . . . . . . 143 ALA HB# . 51096 1 54 . 1 . 1 9 9 ALA HB3 H 1 1.259965699 0.0113502072 . . . . . . . 143 ALA HB# . 51096 1 55 . 1 . 1 9 9 ALA C C 13 178.0140613 0.009795086349 . . . . . . . 143 ALA C . 51096 1 56 . 1 . 1 9 9 ALA CA C 13 53.89887156 1.355530854 . . . . . . . 143 ALA CA . 51096 1 57 . 1 . 1 9 9 ALA CB C 13 19.47486324 1.302532537 . . . . . . . 143 ALA CB . 51096 1 58 . 1 . 1 9 9 ALA N N 15 124.4902499 0.01528407529 . . . . . . . 143 ALA N . 51096 1 59 . 1 . 1 10 10 LYS H H 1 8.023948203 0.01238397747 . . . . . . . 144 LYS H . 51096 1 60 . 1 . 1 10 10 LYS HA H 1 4.109178162 0.007251048575 . . . . . . . 144 LYS HA . 51096 1 61 . 1 . 1 10 10 LYS HB2 H 1 1.700499774 0.009764593854 . . . . . . . 144 LYS HB2 . 51096 1 62 . 1 . 1 10 10 LYS HB3 H 1 1.700526948 0.009612001992 . . . . . . . 144 LYS HB3 . 51096 1 63 . 1 . 1 10 10 LYS HG2 H 1 1.340366043 0.02619318 . . . . . . . 144 LYS HG2 . 51096 1 64 . 1 . 1 10 10 LYS HG3 H 1 1.341019307 0.02547326858 . . . . . . . 144 LYS HG3 . 51096 1 65 . 1 . 1 10 10 LYS HD2 H 1 1.57382919 0.02254403846 . . . . . . . 144 LYS HD2 . 51096 1 66 . 1 . 1 10 10 LYS HD3 H 1 1.574116579 0.02213338056 . . . . . . . 144 LYS HD3 . 51096 1 67 . 1 . 1 10 10 LYS HE2 H 1 2.851268638 0.01169253132 . . . . . . . 144 LYS HE2 . 51096 1 68 . 1 . 1 10 10 LYS HE3 H 1 2.851268638 0.01169253132 . . . . . . . 144 LYS HE3 . 51096 1 69 . 1 . 1 10 10 LYS C C 13 176.6147695 0.01500283444 . . . . . . . 144 LYS C . 51096 1 70 . 1 . 1 10 10 LYS CA C 13 57.92019317 1.408103561 . . . . . . . 144 LYS CA . 51096 1 71 . 1 . 1 10 10 LYS CB C 13 34.34697616 1.425156829 . . . . . . . 144 LYS CB . 51096 1 72 . 1 . 1 10 10 LYS CG C 13 26.45903526 1.443043836 . . . . . . . 144 LYS CG . 51096 1 73 . 1 . 1 10 10 LYS CD C 13 30.42039057 1.430726322 . . . . . . . 144 LYS CD . 51096 1 74 . 1 . 1 10 10 LYS CE C 13 42.2197596 0.1587443456 . . . . . . . 144 LYS CE . 51096 1 75 . 1 . 1 10 10 LYS N N 15 120.1439463 0.01315628143 . . . . . . . 144 LYS N . 51096 1 76 . 1 . 1 11 11 ALA H H 1 8.100750115 0.01117897845 . . . . . . . 145 ALA H . 51096 1 77 . 1 . 1 11 11 ALA HA H 1 4.124890788 0.007688833002 . . . . . . . 145 ALA HA . 51096 1 78 . 1 . 1 11 11 ALA HB1 H 1 1.262319399 0.008320816494 . . . . . . . 145 ALA HB# . 51096 1 79 . 1 . 1 11 11 ALA HB2 H 1 1.262319399 0.008320816494 . . . . . . . 145 ALA HB# . 51096 1 80 . 1 . 1 11 11 ALA HB3 H 1 1.262319399 0.008320816494 . . . . . . . 145 ALA HB# . 51096 1 81 . 1 . 1 11 11 ALA C C 13 177.6500782 0.007796160787 . . . . . . . 145 ALA C . 51096 1 82 . 1 . 1 11 11 ALA CA C 13 53.67087936 1.305445345 . . . . . . . 145 ALA CA . 51096 1 83 . 1 . 1 11 11 ALA CB C 13 20.3496 1.414829444 . . . . . . . 145 ALA CB . 51096 1 84 . 1 . 1 11 11 ALA N N 15 124.2903069 0.01323343705 . . . . . . . 145 ALA N . 51096 1 85 . 1 . 1 12 12 ASN H H 1 8.241986143 0.01363417309 . . . . . . . 146 ASN H . 51096 1 86 . 1 . 1 12 12 ASN HA H 1 4.504653636 0.008178302259 . . . . . . . 146 ASN HA . 51096 1 87 . 1 . 1 12 12 ASN HB2 H 1 2.67382162 0.0162351006 . . . . . . . 146 ASN HB2 . 51096 1 88 . 1 . 1 12 12 ASN HB3 H 1 2.674185728 0.01662255194 . . . . . . . 146 ASN HB3 . 51096 1 89 . 1 . 1 12 12 ASN HD21 H 1 6.825724877 0.006881613333 . . . . . . . 146 ASN HD21 . 51096 1 90 . 1 . 1 12 12 ASN HD22 H 1 7.511194668 0.005434224769 . . . . . . . 146 ASN HD22 . 51096 1 91 . 1 . 1 12 12 ASN C C 13 175.1686751 0.02400455217 . . . . . . . 146 ASN C . 51096 1 92 . 1 . 1 12 12 ASN CA C 13 54.95112618 1.429900919 . . . . . . . 146 ASN CA . 51096 1 93 . 1 . 1 12 12 ASN CB C 13 39.70812674 1.36774432 . . . . . . . 146 ASN CB . 51096 1 94 . 1 . 1 12 12 ASN N N 15 117.8113734 0.01103412773 . . . . . . . 146 ASN N . 51096 1 95 . 1 . 1 12 12 ASN ND2 N 15 112.5594404 0.006197976853 . . . . . . . 146 ASN ND2 . 51096 1 96 . 1 . 1 13 13 ALA H H 1 8.123953713 0.0150130974 . . . . . . . 147 ALA H . 51096 1 97 . 1 . 1 13 13 ALA HA H 1 4.066473304 0.007520618922 . . . . . . . 147 ALA HA . 51096 1 98 . 1 . 1 13 13 ALA HB1 H 1 1.291043077 0.007854341562 . . . . . . . 147 ALA HB# . 51096 1 99 . 1 . 1 13 13 ALA HB2 H 1 1.291043077 0.007854341562 . . . . . . . 147 ALA HB# . 51096 1 100 . 1 . 1 13 13 ALA HB3 H 1 1.291043077 0.007854341562 . . . . . . . 147 ALA HB# . 51096 1 101 . 1 . 1 13 13 ALA C C 13 177.6180455 0.02344898994 . . . . . . . 147 ALA C . 51096 1 102 . 1 . 1 13 13 ALA CA C 13 55.15793441 1.326470908 . . . . . . . 147 ALA CA . 51096 1 103 . 1 . 1 13 13 ALA CB C 13 21.21326502 1.282528176 . . . . . . . 147 ALA CB . 51096 1 104 . 1 . 1 13 13 ALA N N 15 124.154325 0.02154947695 . . . . . . . 147 ALA N . 51096 1 105 . 1 . 1 14 14 ALA H H 1 7.974501946 0.008220673645 . . . . . . . 148 ALA H . 51096 1 106 . 1 . 1 14 14 ALA HA H 1 4.154316702 0.01099349136 . . . . . . . 148 ALA HA . 51096 1 107 . 1 . 1 14 14 ALA HB1 H 1 1.226374032 0.008423857496 . . . . . . . 148 ALA HB# . 51096 1 108 . 1 . 1 14 14 ALA HB2 H 1 1.226374032 0.008423857496 . . . . . . . 148 ALA HB# . 51096 1 109 . 1 . 1 14 14 ALA HB3 H 1 1.226374032 0.008423857496 . . . . . . . 148 ALA HB# . 51096 1 110 . 1 . 1 14 14 ALA C C 13 175.2669167 0 . . . . . . . 148 ALA C . 51096 1 111 . 1 . 1 14 14 ALA CA C 13 54.36521867 1.357815347 . . . . . . . 148 ALA CA . 51096 1 112 . 1 . 1 14 14 ALA CB C 13 20.37966707 1.422610648 . . . . . . . 148 ALA CB . 51096 1 113 . 1 . 1 14 14 ALA N N 15 121.173519 0.012534659 . . . . . . . 148 ALA N . 51096 1 114 . 1 . 1 15 15 ALA H H 1 7.749987589 0.01093798289 . . . . . . . 149 ALA H . 51096 1 115 . 1 . 1 15 15 ALA HA H 1 4.109842815 0.003248349802 . . . . . . . 149 ALA HA . 51096 1 116 . 1 . 1 15 15 ALA HB1 H 1 1.154531285 0.008655571046 . . . . . . . 149 ALA HB# . 51096 1 117 . 1 . 1 15 15 ALA HB2 H 1 1.154531285 0.008655571046 . . . . . . . 149 ALA HB# . 51096 1 118 . 1 . 1 15 15 ALA HB3 H 1 1.154531285 0.008655571046 . . . . . . . 149 ALA HB# . 51096 1 119 . 1 . 1 15 15 ALA C C 13 177.0821518 0.02291662277 . . . . . . . 149 ALA C . 51096 1 120 . 1 . 1 15 15 ALA CA C 13 53.16171181 1.411623731 . . . . . . . 149 ALA CA . 51096 1 121 . 1 . 1 15 15 ALA CB C 13 20.85561735 1.385003492 . . . . . . . 149 ALA CB . 51096 1 122 . 1 . 1 15 15 ALA N N 15 121.9480719 0.01253768389 . . . . . . . 149 ALA N . 51096 1 123 . 1 . 1 16 16 HIS H H 1 7.675140803 0.01897976004 . . . . . . . 150 HIS H . 51096 1 124 . 1 . 1 16 16 HIS HA H 1 4.307405111 0.0171477507 . . . . . . . 150 HIS HA . 51096 1 125 . 1 . 1 16 16 HIS HB2 H 1 1.993927085 0.01997817498 . . . . . . . 150 HIS HB2 . 51096 1 126 . 1 . 1 16 16 HIS HB3 H 1 2.49636117 0.01353497693 . . . . . . . 150 HIS HB3 . 51096 1 127 . 1 . 1 16 16 HIS HD2 H 1 6.858650225 0.006791734927 . . . . . . . 150 HIS HD2 . 51096 1 128 . 1 . 1 16 16 HIS C C 13 174.4117531 0.160084096 . . . . . . . 150 HIS C . 51096 1 129 . 1 . 1 16 16 HIS CA C 13 56.76515652 1.414136447 . . . . . . . 150 HIS CA . 51096 1 130 . 1 . 1 16 16 HIS CB C 13 33.31915993 1.392515474 . . . . . . . 150 HIS CB . 51096 1 131 . 1 . 1 16 16 HIS CD2 C 13 119.6654049 0 . . . . . . . 150 HIS CD2 . 51096 1 132 . 1 . 1 16 16 HIS N N 15 118.3390015 0.004692529835 . . . . . . . 150 HIS N . 51096 1 133 . 1 . 1 17 17 GLU H H 1 7.911867051 0.01016005252 . . . . . . . 151 GLU H . 51096 1 134 . 1 . 1 17 17 GLU HA H 1 4.252604592 0.01180435094 . . . . . . . 151 GLU HA . 51096 1 135 . 1 . 1 17 17 GLU HB2 H 1 1.678712935 0.006796729605 . . . . . . . 151 GLU HB2 . 51096 1 136 . 1 . 1 17 17 GLU HB3 H 1 1.678952346 0.006695714495 . . . . . . . 151 GLU HB3 . 51096 1 137 . 1 . 1 17 17 GLU HG2 H 1 2.008344788 0.01194637179 . . . . . . . 151 GLU HG2 . 51096 1 138 . 1 . 1 17 17 GLU HG3 H 1 2.008821194 0.01207012399 . . . . . . . 151 GLU HG3 . 51096 1 139 . 1 . 1 17 17 GLU C C 13 174.4559513 0.08810231107 . . . . . . . 151 GLU C . 51096 1 140 . 1 . 1 17 17 GLU CA C 13 56.51324479 1.419454874 . . . . . . . 151 GLU CA . 51096 1 141 . 1 . 1 17 17 GLU CB C 13 32.61985849 1.355141561 . . . . . . . 151 GLU CB . 51096 1 142 . 1 . 1 17 17 GLU CG C 13 38.05757466 1.372915464 . . . . . . . 151 GLU CG . 51096 1 143 . 1 . 1 17 17 GLU N N 15 120.7149044 0.009521647045 . . . . . . . 151 GLU N . 51096 1 144 . 1 . 1 18 18 TRP H H 1 8.861331143 0.007215760702 . . . . . . . 152 TRP H . 51096 1 145 . 1 . 1 18 18 TRP HA H 1 4.618920206 0.007146216976 . . . . . . . 152 TRP HA . 51096 1 146 . 1 . 1 18 18 TRP HB2 H 1 2.856445793 0.01088801699 . . . . . . . 152 TRP HB2 . 51096 1 147 . 1 . 1 18 18 TRP HB3 H 1 2.859902992 0.01444465108 . . . . . . . 152 TRP HB3 . 51096 1 148 . 1 . 1 18 18 TRP HD1 H 1 6.86329683 0.006877440232 . . . . . . . 152 TRP HD1 . 51096 1 149 . 1 . 1 18 18 TRP HE1 H 1 9.984220125 0.005892075928 . . . . . . . 152 TRP HE1 . 51096 1 150 . 1 . 1 18 18 TRP HE3 H 1 7.111984045 0.003688990713 . . . . . . . 152 TRP HE3 . 51096 1 151 . 1 . 1 18 18 TRP HZ2 H 1 7.1266106 0.002412604755 . . . . . . . 152 TRP HZ2 . 51096 1 152 . 1 . 1 18 18 TRP C C 13 175.5348864 0.02172900811 . . . . . . . 152 TRP C . 51096 1 153 . 1 . 1 18 18 TRP CA C 13 57.81123207 0.9848904428 . . . . . . . 152 TRP CA . 51096 1 154 . 1 . 1 18 18 TRP CB C 13 33.4294866 1.37094711 . . . . . . . 152 TRP CB . 51096 1 155 . 1 . 1 18 18 TRP CD1 C 13 125.8319245 0.06033299971 . . . . . . . 152 TRP CD1 . 51096 1 156 . 1 . 1 18 18 TRP CE3 C 13 119.6654049 0.00001348699152 . . . . . . . 152 TRP CE3 . 51096 1 157 . 1 . 1 18 18 TRP CZ2 C 13 114.6639303 0.00001348699152 . . . . . . . 152 TRP CZ2 . 51096 1 158 . 1 . 1 18 18 TRP N N 15 122.0018177 0.01239328758 . . . . . . . 152 TRP N . 51096 1 159 . 1 . 1 18 18 TRP NE1 N 15 127.5834034 0.1228981913 . . . . . . . 152 TRP NE1 . 51096 1 160 . 1 . 1 19 19 TYR H H 1 9.399307007 0.007255774144 . . . . . . . 153 TYR H . 51096 1 161 . 1 . 1 19 19 TYR HA H 1 5.357707836 0.008525540058 . . . . . . . 153 TYR HA . 51096 1 162 . 1 . 1 19 19 TYR HB2 H 1 2.748050115 0.007077470266 . . . . . . . 153 TYR HB2 . 51096 1 163 . 1 . 1 19 19 TYR HB3 H 1 2.915594388 0.01236747359 . . . . . . . 153 TYR HB3 . 51096 1 164 . 1 . 1 19 19 TYR HD1 H 1 6.950529692 0.01234337077 . . . . . . . 153 TYR HD# . 51096 1 165 . 1 . 1 19 19 TYR HD2 H 1 6.950529692 0.01234337077 . . . . . . . 153 TYR HD# . 51096 1 166 . 1 . 1 19 19 TYR HE1 H 1 6.535544848 0.01705826186 . . . . . . . 153 TYR HE# . 51096 1 167 . 1 . 1 19 19 TYR HE2 H 1 6.535544848 0.01705826186 . . . . . . . 153 TYR HE# . 51096 1 168 . 1 . 1 19 19 TYR C C 13 175.2100978 0.0295993242 . . . . . . . 153 TYR C . 51096 1 169 . 1 . 1 19 19 TYR CA C 13 58.27998096 1.307761167 . . . . . . . 153 TYR CA . 51096 1 170 . 1 . 1 19 19 TYR CB C 13 44.20309853 1.265302296 . . . . . . . 153 TYR CB . 51096 1 171 . 1 . 1 19 19 TYR CD1 C 13 133.4196313 0.00001907348633 . . . . . . . 153 TYR CD# . 51096 1 172 . 1 . 1 19 19 TYR CD2 C 13 133.4196313 0.00001907348633 . . . . . . . 153 TYR CD# . 51096 1 173 . 1 . 1 19 19 TYR CE1 C 13 117.1648386 0.00001348699152 . . . . . . . 153 TYR CE# . 51096 1 174 . 1 . 1 19 19 TYR CE2 C 13 117.1648386 0.00001348699152 . . . . . . . 153 TYR CE# . 51096 1 175 . 1 . 1 19 19 TYR N N 15 120.0113708 0.0108742979 . . . . . . . 153 TYR N . 51096 1 176 . 1 . 1 20 20 VAL H H 1 9.10385481 0.01326720672 . . . . . . . 154 VAL H . 51096 1 177 . 1 . 1 20 20 VAL HA H 1 5.604775056 0.007028447294 . . . . . . . 154 VAL HA . 51096 1 178 . 1 . 1 20 20 VAL HB H 1 2.024313818 0.005471087266 . . . . . . . 154 VAL HB . 51096 1 179 . 1 . 1 20 20 VAL HG11 H 1 0.9365623674 0 . . . . . . . 154 VAL HG1# . 51096 1 180 . 1 . 1 20 20 VAL HG12 H 1 0.9365623674 0 . . . . . . . 154 VAL HG1# . 51096 1 181 . 1 . 1 20 20 VAL HG13 H 1 0.9365623674 0 . . . . . . . 154 VAL HG1# . 51096 1 182 . 1 . 1 20 20 VAL HG21 H 1 1.011684687 0.006611356545 . . . . . . . 154 VAL HG2# . 51096 1 183 . 1 . 1 20 20 VAL HG22 H 1 1.011684687 0.006611356545 . . . . . . . 154 VAL HG2# . 51096 1 184 . 1 . 1 20 20 VAL HG23 H 1 1.011684687 0.006611356545 . . . . . . . 154 VAL HG2# . 51096 1 185 . 1 . 1 20 20 VAL CA C 13 61.29761494 1.413862129 . . . . . . . 154 VAL CA . 51096 1 186 . 1 . 1 20 20 VAL CB C 13 37.87228072 1.41305546 . . . . . . . 154 VAL CB . 51096 1 187 . 1 . 1 20 20 VAL CG1 C 13 20.6918352 0.08995171537 . . . . . . . 154 VAL CG1 . 51096 1 188 . 1 . 1 20 20 VAL CG2 C 13 24.42957848 1.074369381 . . . . . . . 154 VAL CG2 . 51096 1 189 . 1 . 1 20 20 VAL N N 15 114.6764767 0.00927257886 . . . . . . . 154 VAL N . 51096 1 190 . 1 . 1 21 21 ALA H H 1 8.810563033 0.01349612833 . . . . . . . 155 ALA H . 51096 1 191 . 1 . 1 21 21 ALA HA H 1 5.284682598 0.01000025419 . . . . . . . 155 ALA HA . 51096 1 192 . 1 . 1 21 21 ALA HB1 H 1 1.083832295 0.007962347918 . . . . . . . 155 ALA HB# . 51096 1 193 . 1 . 1 21 21 ALA HB2 H 1 1.083832295 0.007962347918 . . . . . . . 155 ALA HB# . 51096 1 194 . 1 . 1 21 21 ALA HB3 H 1 1.083832295 0.007962347918 . . . . . . . 155 ALA HB# . 51096 1 195 . 1 . 1 21 21 ALA C C 13 176.9152566 0.001977617945 . . . . . . . 155 ALA C . 51096 1 196 . 1 . 1 21 21 ALA CA C 13 52.39202274 1.345049478 . . . . . . . 155 ALA CA . 51096 1 197 . 1 . 1 21 21 ALA CB C 13 21.32883537 1.199538178 . . . . . . . 155 ALA CB . 51096 1 198 . 1 . 1 21 21 ALA N N 15 127.0358085 0.01451778697 . . . . . . . 155 ALA N . 51096 1 199 . 1 . 1 22 22 ILE H H 1 8.522374525 0.007834036345 . . . . . . . 156 ILE H . 51096 1 200 . 1 . 1 22 22 ILE HA H 1 4.090114607 0.006439011809 . . . . . . . 156 ILE HA . 51096 1 201 . 1 . 1 22 22 ILE HB H 1 1.608545816 0.01085495278 . . . . . . . 156 ILE HB . 51096 1 202 . 1 . 1 22 22 ILE HG12 H 1 1.467679298 0.01044077055 . . . . . . . 156 ILE HG12 . 51096 1 203 . 1 . 1 22 22 ILE HG13 H 1 1.468263175 0.01077828424 . . . . . . . 156 ILE HG13 . 51096 1 204 . 1 . 1 22 22 ILE HG21 H 1 0.84606 0.01786913672 . . . . . . . 156 ILE HG2# . 51096 1 205 . 1 . 1 22 22 ILE HG22 H 1 0.84606 0.01786913672 . . . . . . . 156 ILE HG2# . 51096 1 206 . 1 . 1 22 22 ILE HG23 H 1 0.84606 0.01786913672 . . . . . . . 156 ILE HG2# . 51096 1 207 . 1 . 1 22 22 ILE HD11 H 1 0.7647372298 0.01917637075 . . . . . . . 156 ILE HD1# . 51096 1 208 . 1 . 1 22 22 ILE HD12 H 1 0.7647372298 0.01917637075 . . . . . . . 156 ILE HD1# . 51096 1 209 . 1 . 1 22 22 ILE HD13 H 1 0.7647372298 0.01917637075 . . . . . . . 156 ILE HD1# . 51096 1 210 . 1 . 1 22 22 ILE C C 13 175.9037735 0.06337959137 . . . . . . . 156 ILE C . 51096 1 211 . 1 . 1 22 22 ILE CA C 13 62.96867811 1.421358973 . . . . . . . 156 ILE CA . 51096 1 212 . 1 . 1 22 22 ILE CB C 13 41.85296286 1.425292079 . . . . . . . 156 ILE CB . 51096 1 213 . 1 . 1 22 22 ILE CG1 C 13 28.49368306 1.429960449 . . . . . . . 156 ILE CG1 . 51096 1 214 . 1 . 1 22 22 ILE CG2 C 13 19.13509982 1.386407927 . . . . . . . 156 ILE CG2 . 51096 1 215 . 1 . 1 22 22 ILE CD1 C 13 15.82867745 1.409764647 . . . . . . . 156 ILE CD1 . 51096 1 216 . 1 . 1 22 22 ILE N N 15 124.4954084 0.008854832493 . . . . . . . 156 ILE N . 51096 1 217 . 1 . 1 23 23 ASP H H 1 9.208004097 0.008257678342 . . . . . . . 157 ASP H . 51096 1 218 . 1 . 1 23 23 ASP HA H 1 4.146277475 0.008320131117 . . . . . . . 157 ASP HA . 51096 1 219 . 1 . 1 23 23 ASP HB2 H 1 2.59014133 0.01167838957 . . . . . . . 157 ASP HB2 . 51096 1 220 . 1 . 1 23 23 ASP HB3 H 1 2.818777128 0.007493571451 . . . . . . . 157 ASP HB3 . 51096 1 221 . 1 . 1 23 23 ASP C C 13 174.7406863 0.0493483412 . . . . . . . 157 ASP C . 51096 1 222 . 1 . 1 23 23 ASP CA C 13 57.56775398 1.390920486 . . . . . . . 157 ASP CA . 51096 1 223 . 1 . 1 23 23 ASP CB C 13 41.41171917 1.293294361 . . . . . . . 157 ASP CB . 51096 1 224 . 1 . 1 23 23 ASP N N 15 128.8668511 0.01797657499 . . . . . . . 157 ASP N . 51096 1 225 . 1 . 1 24 24 GLU H H 1 8.612264108 0.007971130888 . . . . . . . 158 GLU H . 51096 1 226 . 1 . 1 24 24 GLU HA H 1 3.709360042 0.01474082021 . . . . . . . 158 GLU HA . 51096 1 227 . 1 . 1 24 24 GLU HB2 H 1 2.069410402 0.01924763244 . . . . . . . 158 GLU HB2 . 51096 1 228 . 1 . 1 24 24 GLU HB3 H 1 2.069784043 0.01896609181 . . . . . . . 158 GLU HB3 . 51096 1 229 . 1 . 1 24 24 GLU HG2 H 1 2.084497657 0.007930148402 . . . . . . . 158 GLU HG2 . 51096 1 230 . 1 . 1 24 24 GLU HG3 H 1 2.084497657 0.007930148401 . . . . . . . 158 GLU HG3 . 51096 1 231 . 1 . 1 24 24 GLU C C 13 175.2282596 0 . . . . . . . 158 GLU C . 51096 1 232 . 1 . 1 24 24 GLU CA C 13 58.96248983 1.416792597 . . . . . . . 158 GLU CA . 51096 1 233 . 1 . 1 24 24 GLU CB C 13 29.35560311 1.411577172 . . . . . . . 158 GLU CB . 51096 1 234 . 1 . 1 24 24 GLU CG C 13 38.16325264 1.425778649 . . . . . . . 158 GLU CG . 51096 1 235 . 1 . 1 24 24 GLU N N 15 111.2091077 0.002303038372 . . . . . . . 158 GLU N . 51096 1 236 . 1 . 1 25 25 LYS H H 1 7.822992523 0.01096411836 . . . . . . . 159 LYS H . 51096 1 237 . 1 . 1 25 25 LYS HA H 1 4.403304781 0.007647491935 . . . . . . . 159 LYS HA . 51096 1 238 . 1 . 1 25 25 LYS HB2 H 1 1.706177552 0.02195797388 . . . . . . . 159 LYS HB2 . 51096 1 239 . 1 . 1 25 25 LYS HB3 H 1 1.707339097 0.02251832301 . . . . . . . 159 LYS HB3 . 51096 1 240 . 1 . 1 25 25 LYS HG2 H 1 1.337141163 0.009797553188 . . . . . . . 159 LYS HG2 . 51096 1 241 . 1 . 1 25 25 LYS HG3 H 1 1.337390867 0.009775890117 . . . . . . . 159 LYS HG3 . 51096 1 242 . 1 . 1 25 25 LYS HD2 H 1 1.593092149 0.01407196607 . . . . . . . 159 LYS HD2 . 51096 1 243 . 1 . 1 25 25 LYS HD3 H 1 1.593931855 0.01358838853 . . . . . . . 159 LYS HD3 . 51096 1 244 . 1 . 1 25 25 LYS HE2 H 1 2.903226554 0.01518632112 . . . . . . . 159 LYS HE2 . 51096 1 245 . 1 . 1 25 25 LYS HE3 H 1 2.903226554 0.01518632112 . . . . . . . 159 LYS HE3 . 51096 1 246 . 1 . 1 25 25 LYS C C 13 175.0280323 0 . . . . . . . 159 LYS C . 51096 1 247 . 1 . 1 25 25 LYS CA C 13 55.68880159 1.3553684 . . . . . . . 159 LYS CA . 51096 1 248 . 1 . 1 25 25 LYS CB C 13 35.84392689 1.438131599 . . . . . . . 159 LYS CB . 51096 1 249 . 1 . 1 25 25 LYS CG C 13 25.42949601 1.298660084 . . . . . . . 159 LYS CG . 51096 1 250 . 1 . 1 25 25 LYS CD C 13 30.17809259 1.419193806 . . . . . . . 159 LYS CD . 51096 1 251 . 1 . 1 25 25 LYS CE C 13 43.01264987 1.415443487 . . . . . . . 159 LYS CE . 51096 1 252 . 1 . 1 25 25 LYS N N 15 120.462381 0.01104031155 . . . . . . . 159 LYS N . 51096 1 253 . 1 . 1 26 26 GLN H H 1 8.311489698 0.01092863001 . . . . . . . 160 GLN H . 51096 1 254 . 1 . 1 26 26 GLN HA H 1 4.471635094 0.0126026698 . . . . . . . 160 GLN HA . 51096 1 255 . 1 . 1 26 26 GLN HB2 H 1 1.718757052 0.0457472951 . . . . . . . 160 GLN HB2 . 51096 1 256 . 1 . 1 26 26 GLN HB3 H 1 1.955678747 0.02855488332 . . . . . . . 160 GLN HB3 . 51096 1 257 . 1 . 1 26 26 GLN HG2 H 1 2.521939827 0.01643751703 . . . . . . . 160 GLN HG2 . 51096 1 258 . 1 . 1 26 26 GLN HG3 H 1 2.521939827 0.01643751703 . . . . . . . 160 GLN HG3 . 51096 1 259 . 1 . 1 26 26 GLN HE21 H 1 6.150674534 0.01005986858 . . . . . . . 160 GLN HE21 . 51096 1 260 . 1 . 1 26 26 GLN HE22 H 1 6.360245944 0.006657594478 . . . . . . . 160 GLN HE22 . 51096 1 261 . 1 . 1 26 26 GLN CA C 13 58.2358616 1.080509675 . . . . . . . 160 GLN CA . 51096 1 262 . 1 . 1 26 26 GLN CB C 13 30.84083747 1.010482885 . . . . . . . 160 GLN CB . 51096 1 263 . 1 . 1 26 26 GLN N N 15 121.2985918 0.01796251755 . . . . . . . 160 GLN N . 51096 1 264 . 1 . 1 26 26 GLN NE2 N 15 109.7926447 0.1120679183 . . . . . . . 160 GLN NE2 . 51096 1 265 . 1 . 1 27 27 VAL H H 1 9.289105698 0.008801394865 . . . . . . . 161 VAL H . 51096 1 266 . 1 . 1 27 27 VAL HA H 1 4.617312318 0.01506077653 . . . . . . . 161 VAL HA . 51096 1 267 . 1 . 1 27 27 VAL HB H 1 2.246138725 0.00658424863 . . . . . . . 161 VAL HB . 51096 1 268 . 1 . 1 27 27 VAL HG11 H 1 0.9742202676 0.01193249129 . . . . . . . 161 VAL HG1# . 51096 1 269 . 1 . 1 27 27 VAL HG12 H 1 0.9742202676 0.01193249129 . . . . . . . 161 VAL HG1# . 51096 1 270 . 1 . 1 27 27 VAL HG13 H 1 0.9742202676 0.01193249129 . . . . . . . 161 VAL HG1# . 51096 1 271 . 1 . 1 27 27 VAL HG21 H 1 1.0138681 0.008225585324 . . . . . . . 161 VAL HG2# . 51096 1 272 . 1 . 1 27 27 VAL HG22 H 1 1.0138681 0.008225585324 . . . . . . . 161 VAL HG2# . 51096 1 273 . 1 . 1 27 27 VAL HG23 H 1 1.0138681 0.008225585324 . . . . . . . 161 VAL HG2# . 51096 1 274 . 1 . 1 27 27 VAL C C 13 173.0030834 0.0350182527 . . . . . . . 161 VAL C . 51096 1 275 . 1 . 1 27 27 VAL CA C 13 61.83666908 1.257651668 . . . . . . . 161 VAL CA . 51096 1 276 . 1 . 1 27 27 VAL CB C 13 36.14270145 1.418770312 . . . . . . . 161 VAL CB . 51096 1 277 . 1 . 1 27 27 VAL CG1 C 13 24.46488761 1.348381604 . . . . . . . 161 VAL CG1 . 51096 1 278 . 1 . 1 27 27 VAL CG2 C 13 22.76040709 1.254507717 . . . . . . . 161 VAL CG2 . 51096 1 279 . 1 . 1 27 27 VAL N N 15 123.5227 0.01479059877 . . . . . . . 161 VAL N . 51096 1 280 . 1 . 1 28 28 GLY H H 1 7.623204476 0.01145075471 . . . . . . . 162 GLY H . 51096 1 281 . 1 . 1 28 28 GLY HA2 H 1 3.681767525 0.0103295468 . . . . . . . 162 GLY HA2 . 51096 1 282 . 1 . 1 28 28 GLY HA3 H 1 3.681767525 0.0103295468 . . . . . . . 162 GLY HA3 . 51096 1 283 . 1 . 1 28 28 GLY C C 13 170.767906 0 . . . . . . . 162 GLY C . 51096 1 284 . 1 . 1 28 28 GLY CA C 13 44.9879455 1.264938448 . . . . . . . 162 GLY CA . 51096 1 285 . 1 . 1 28 28 GLY N N 15 108.9040814 0.004510347404 . . . . . . . 162 GLY N . 51096 1 286 . 1 . 1 29 29 PRO HA H 1 3.269865787 0.01968735868 . . . . . . . 163 PRO HA . 51096 1 287 . 1 . 1 29 29 PRO HB2 H 1 1.530422391 0.0336199819 . . . . . . . 163 PRO HB2 . 51096 1 288 . 1 . 1 29 29 PRO HB3 H 1 1.534258699 0.03288531055 . . . . . . . 163 PRO HB3 . 51096 1 289 . 1 . 1 29 29 PRO HG2 H 1 1.719204535 0 . . . . . . . 163 PRO HG2 . 51096 1 290 . 1 . 1 29 29 PRO HG3 H 1 1.719204535 0 . . . . . . . 163 PRO HG3 . 51096 1 291 . 1 . 1 29 29 PRO HD2 H 1 3.38361971 0 . . . . . . . 163 PRO HD2 . 51096 1 292 . 1 . 1 29 29 PRO HD3 H 1 3.38361971 0 . . . . . . . 163 PRO HD3 . 51096 1 293 . 1 . 1 29 29 PRO CA C 13 62.898836 1.321010273 . . . . . . . 163 PRO CA . 51096 1 294 . 1 . 1 29 29 PRO CB C 13 35.70167256 1.344093629 . . . . . . . 163 PRO CB . 51096 1 295 . 1 . 1 29 29 PRO CG C 13 24.31202492 0.06635639724 . . . . . . . 163 PRO CG . 51096 1 296 . 1 . 1 29 29 PRO CD C 13 50.02850464 0.02934320543 . . . . . . . 163 PRO CD . 51096 1 297 . 1 . 1 30 30 PHE H H 1 9.813674902 0.00894596048 . . . . . . . 164 PHE H . 51096 1 298 . 1 . 1 30 30 PHE HA H 1 5.229905065 0.0108535776 . . . . . . . 164 PHE HA . 51096 1 299 . 1 . 1 30 30 PHE HB2 H 1 2.599633341 0.009303664828 . . . . . . . 164 PHE HB2 . 51096 1 300 . 1 . 1 30 30 PHE HB3 H 1 3.334317268 0.01249719982 . . . . . . . 164 PHE HB3 . 51096 1 301 . 1 . 1 30 30 PHE HD1 H 1 7.024180538 0.008035310837 . . . . . . . 164 PHE HD# . 51096 1 302 . 1 . 1 30 30 PHE HD2 H 1 7.024180538 0.008035310837 . . . . . . . 164 PHE HD# . 51096 1 303 . 1 . 1 30 30 PHE HE1 H 1 7.085904534 0.01900956916 . . . . . . . 164 PHE HE# . 51096 1 304 . 1 . 1 30 30 PHE HE2 H 1 7.085904534 0.01900956916 . . . . . . . 164 PHE HE# . 51096 1 305 . 1 . 1 30 30 PHE C C 13 175.500566 0.0231412488 . . . . . . . 164 PHE C . 51096 1 306 . 1 . 1 30 30 PHE CA C 13 55.93243026 1.375270881 . . . . . . . 164 PHE CA . 51096 1 307 . 1 . 1 30 30 PHE CB C 13 45.59713143 1.241161177 . . . . . . . 164 PHE CB . 51096 1 308 . 1 . 1 30 30 PHE CD1 C 13 131.6753563 0 . . . . . . . 164 PHE CD# . 51096 1 309 . 1 . 1 30 30 PHE CD2 C 13 131.6753563 0 . . . . . . . 164 PHE CD# . 51096 1 310 . 1 . 1 30 30 PHE CE1 C 13 131.6753563 0 . . . . . . . 164 PHE CE# . 51096 1 311 . 1 . 1 30 30 PHE CE2 C 13 131.6753563 0 . . . . . . . 164 PHE CE# . 51096 1 312 . 1 . 1 30 30 PHE N N 15 121.4098362 0.03458382887 . . . . . . . 164 PHE N . 51096 1 313 . 1 . 1 31 31 ASN H H 1 8.147848581 0.008199621522 . . . . . . . 165 ASN H . 51096 1 314 . 1 . 1 31 31 ASN HA H 1 5.20697134 0.007045158874 . . . . . . . 165 ASN HA . 51096 1 315 . 1 . 1 31 31 ASN HB2 H 1 2.870085945 0.009617497055 . . . . . . . 165 ASN HB2 . 51096 1 316 . 1 . 1 31 31 ASN HB3 H 1 3.319545537 0.008273147202 . . . . . . . 165 ASN HB3 . 51096 1 317 . 1 . 1 31 31 ASN HD21 H 1 6.797779257 0.004908153567 . . . . . . . 165 ASN HD21 . 51096 1 318 . 1 . 1 31 31 ASN HD22 H 1 7.546772138 0.00604032027 . . . . . . . 165 ASN HD22 . 51096 1 319 . 1 . 1 31 31 ASN C C 13 176.4604321 0.06158052515 . . . . . . . 165 ASN C . 51096 1 320 . 1 . 1 31 31 ASN CA C 13 52.95160746 1.377807677 . . . . . . . 165 ASN CA . 51096 1 321 . 1 . 1 31 31 ASN CB C 13 40.87440145 1.383459758 . . . . . . . 165 ASN CB . 51096 1 322 . 1 . 1 31 31 ASN N N 15 117.889806 0.009218876466 . . . . . . . 165 ASN N . 51096 1 323 . 1 . 1 31 31 ASN ND2 N 15 110.7715045 0.2006518868 . . . . . . . 165 ASN ND2 . 51096 1 324 . 1 . 1 32 32 VAL H H 1 8.753125468 0.009621653474 . . . . . . . 166 VAL H . 51096 1 325 . 1 . 1 32 32 VAL HA H 1 3.358565753 0.01025332995 . . . . . . . 166 VAL HA . 51096 1 326 . 1 . 1 32 32 VAL HB H 1 2.02992796 0.01694099939 . . . . . . . 166 VAL HB . 51096 1 327 . 1 . 1 32 32 VAL HG11 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG1# . 51096 1 328 . 1 . 1 32 32 VAL HG12 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG1# . 51096 1 329 . 1 . 1 32 32 VAL HG13 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG1# . 51096 1 330 . 1 . 1 32 32 VAL HG21 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG2# . 51096 1 331 . 1 . 1 32 32 VAL HG22 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG2# . 51096 1 332 . 1 . 1 32 32 VAL HG23 H 1 1.063733431 0.02959899362 . . . . . . . 166 VAL HG2# . 51096 1 333 . 1 . 1 32 32 VAL C C 13 175.9944165 0.0548052125 . . . . . . . 166 VAL C . 51096 1 334 . 1 . 1 32 32 VAL CA C 13 68.38673755 1.375865471 . . . . . . . 166 VAL CA . 51096 1 335 . 1 . 1 32 32 VAL CB C 13 33.32145023 1.383860896 . . . . . . . 166 VAL CB . 51096 1 336 . 1 . 1 32 32 VAL CG2 C 13 22.81106046 1.238733185 . . . . . . . 166 VAL CG2 . 51096 1 337 . 1 . 1 32 32 VAL N N 15 119.2477916 0.08972841388 . . . . . . . 166 VAL N . 51096 1 338 . 1 . 1 33 33 GLU H H 1 8.190650163 0.005720272167 . . . . . . . 167 GLU H . 51096 1 339 . 1 . 1 33 33 GLU HA H 1 4.014539389 0.003832211293 . . . . . . . 167 GLU HA . 51096 1 340 . 1 . 1 33 33 GLU HB2 H 1 1.924728039 0.01955221736 . . . . . . . 167 GLU HB2 . 51096 1 341 . 1 . 1 33 33 GLU HB3 H 1 1.924728039 0.01955221736 . . . . . . . 167 GLU HB3 . 51096 1 342 . 1 . 1 33 33 GLU HG2 H 1 2.231512236 0.008178355771 . . . . . . . 167 GLU HG2 . 51096 1 343 . 1 . 1 33 33 GLU HG3 H 1 2.231512236 0.008178355771 . . . . . . . 167 GLU HG3 . 51096 1 344 . 1 . 1 33 33 GLU C C 13 178.6286151 0.06225555218 . . . . . . . 167 GLU C . 51096 1 345 . 1 . 1 33 33 GLU CA C 13 59.97399401 0.1528798293 . . . . . . . 167 GLU CA . 51096 1 346 . 1 . 1 33 33 GLU CB C 13 29.31317474 1.305416357 . . . . . . . 167 GLU CB . 51096 1 347 . 1 . 1 33 33 GLU CG C 13 36.00577666 1.14404 . . . . . . . 167 GLU CG . 51096 1 348 . 1 . 1 33 33 GLU N N 15 120.5991495 0.01211006665 . . . . . . . 167 GLU N . 51096 1 349 . 1 . 1 34 34 LYS H H 1 7.784128785 0.01172392426 . . . . . . . 168 LYS H . 51096 1 350 . 1 . 1 34 34 LYS HA H 1 4.125353023 0.009146795912 . . . . . . . 168 LYS HA . 51096 1 351 . 1 . 1 34 34 LYS HB2 H 1 1.845384701 0.009238081526 . . . . . . . 168 LYS HB2 . 51096 1 352 . 1 . 1 34 34 LYS HB3 H 1 1.845384701 0.009238081526 . . . . . . . 168 LYS HB3 . 51096 1 353 . 1 . 1 34 34 LYS HG2 H 1 1.255015341 0.01559286789 . . . . . . . 168 LYS HG2 . 51096 1 354 . 1 . 1 34 34 LYS HG3 H 1 1.256037947 0.01522201056 . . . . . . . 168 LYS HG3 . 51096 1 355 . 1 . 1 34 34 LYS HD2 H 1 1.520978088 0.02079513772 . . . . . . . 168 LYS HD2 . 51096 1 356 . 1 . 1 34 34 LYS HD3 H 1 1.520978088 0.02079513772 . . . . . . . 168 LYS HD3 . 51096 1 357 . 1 . 1 34 34 LYS C C 13 178.2652205 0.03360488272 . . . . . . . 168 LYS C . 51096 1 358 . 1 . 1 34 34 LYS CA C 13 58.75145681 1.447936223 . . . . . . . 168 LYS CA . 51096 1 359 . 1 . 1 34 34 LYS CB C 13 33.88702308 1.428054657 . . . . . . . 168 LYS CB . 51096 1 360 . 1 . 1 34 34 LYS CG C 13 25.47525807 1.248367834 . . . . . . . 168 LYS CG . 51096 1 361 . 1 . 1 34 34 LYS CD C 13 30.06561624 1.392623362 . . . . . . . 168 LYS CD . 51096 1 362 . 1 . 1 34 34 LYS CE C 13 42.34243635 0.03825295678 . . . . . . . 168 LYS CE . 51096 1 363 . 1 . 1 34 34 LYS N N 15 120.2380014 0.06261419929 . . . . . . . 168 LYS N . 51096 1 364 . 1 . 1 35 35 VAL H H 1 7.70026999 0.01320673705 . . . . . . . 169 VAL H . 51096 1 365 . 1 . 1 35 35 VAL HA H 1 3.149652431 0.01610467872 . . . . . . . 169 VAL HA . 51096 1 366 . 1 . 1 35 35 VAL HB H 1 1.830325053 0.009408394471 . . . . . . . 169 VAL HB . 51096 1 367 . 1 . 1 35 35 VAL HG11 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG1# . 51096 1 368 . 1 . 1 35 35 VAL HG12 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG1# . 51096 1 369 . 1 . 1 35 35 VAL HG13 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG1# . 51096 1 370 . 1 . 1 35 35 VAL HG21 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG2# . 51096 1 371 . 1 . 1 35 35 VAL HG22 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG2# . 51096 1 372 . 1 . 1 35 35 VAL HG23 H 1 0.5044737889 0.01940893365 . . . . . . . 169 VAL HG2# . 51096 1 373 . 1 . 1 35 35 VAL C C 13 176.8700269 0.007201047435 . . . . . . . 169 VAL C . 51096 1 374 . 1 . 1 35 35 VAL CA C 13 69.49687508 1.333714358 . . . . . . . 169 VAL CA . 51096 1 375 . 1 . 1 35 35 VAL CB C 13 32.09480601 1.384461011 . . . . . . . 169 VAL CB . 51096 1 376 . 1 . 1 35 35 VAL CG1 C 13 23.08588977 1.298730208 . . . . . . . 169 VAL CG1 . 51096 1 377 . 1 . 1 35 35 VAL CG2 C 13 23.08588977 1.298730208 . . . . . . . 169 VAL CG2 . 51096 1 378 . 1 . 1 35 35 VAL N N 15 120.6220939 0.03573366709 . . . . . . . 169 VAL N . 51096 1 379 . 1 . 1 36 36 LYS H H 1 8.114084176 0.01112382301 . . . . . . . 170 LYS H . 51096 1 380 . 1 . 1 36 36 LYS HA H 1 3.597940096 0.009703553334 . . . . . . . 170 LYS HA . 51096 1 381 . 1 . 1 36 36 LYS HB2 H 1 1.503708665 0.01432918147 . . . . . . . 170 LYS HB2 . 51096 1 382 . 1 . 1 36 36 LYS HB3 H 1 1.873514252 0.01086354132 . . . . . . . 170 LYS HB3 . 51096 1 383 . 1 . 1 36 36 LYS HG2 H 1 0.9676521055 0.006495449647 . . . . . . . 170 LYS HG2 . 51096 1 384 . 1 . 1 36 36 LYS HG3 H 1 0.9676521055 0.006495449647 . . . . . . . 170 LYS HG3 . 51096 1 385 . 1 . 1 36 36 LYS C C 13 177.1258356 0.02929831255 . . . . . . . 170 LYS C . 51096 1 386 . 1 . 1 36 36 LYS CA C 13 61.33613624 1.407990693 . . . . . . . 170 LYS CA . 51096 1 387 . 1 . 1 36 36 LYS CB C 13 33.50771807 1.433061514 . . . . . . . 170 LYS CB . 51096 1 388 . 1 . 1 36 36 LYS CG C 13 25.87450613 1.195475028 . . . . . . . 170 LYS CG . 51096 1 389 . 1 . 1 36 36 LYS CD C 13 29.56199705 0.09564025745 . . . . . . . 170 LYS CD . 51096 1 390 . 1 . 1 36 36 LYS CE C 13 42.33777225 0.03700012237 . . . . . . . 170 LYS CE . 51096 1 391 . 1 . 1 36 36 LYS N N 15 118.5171002 0.04060091373 . . . . . . . 170 LYS N . 51096 1 392 . 1 . 1 37 37 ASP H H 1 7.493215381 0.01078217891 . . . . . . . 171 ASP H . 51096 1 393 . 1 . 1 37 37 ASP HA H 1 4.315994464 0.01640869399 . . . . . . . 171 ASP HA . 51096 1 394 . 1 . 1 37 37 ASP HB2 H 1 2.696064706 0.007739790712 . . . . . . . 171 ASP HB2 . 51096 1 395 . 1 . 1 37 37 ASP HB3 H 1 2.696064706 0.007739790712 . . . . . . . 171 ASP HB3 . 51096 1 396 . 1 . 1 37 37 ASP C C 13 177.4814948 0.0235331746 . . . . . . . 171 ASP C . 51096 1 397 . 1 . 1 37 37 ASP CA C 13 59.60622066 1.412219563 . . . . . . . 171 ASP CA . 51096 1 398 . 1 . 1 37 37 ASP CB C 13 43.43064366 1.395992657 . . . . . . . 171 ASP CB . 51096 1 399 . 1 . 1 37 37 ASP N N 15 118.8550284 0.02379338945 . . . . . . . 171 ASP N . 51096 1 400 . 1 . 1 38 38 LEU H H 1 7.916419095 0.01243550205 . . . . . . . 172 LEU H . 51096 1 401 . 1 . 1 38 38 LEU HA H 1 3.720125221 0.01136388491 . . . . . . . 172 LEU HA . 51096 1 402 . 1 . 1 38 38 LEU HB2 H 1 1.921241941 0.009839925791 . . . . . . . 172 LEU HB2 . 51096 1 403 . 1 . 1 38 38 LEU HB3 H 1 1.921597044 0.009770919889 . . . . . . . 172 LEU HB3 . 51096 1 404 . 1 . 1 38 38 LEU HD11 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD1# . 51096 1 405 . 1 . 1 38 38 LEU HD12 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD1# . 51096 1 406 . 1 . 1 38 38 LEU HD13 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD1# . 51096 1 407 . 1 . 1 38 38 LEU HD21 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD2# . 51096 1 408 . 1 . 1 38 38 LEU HD22 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD2# . 51096 1 409 . 1 . 1 38 38 LEU HD23 H 1 0.6894890998 0.06474096604 . . . . . . . 172 LEU HD2# . 51096 1 410 . 1 . 1 38 38 LEU C C 13 178.8597859 0.1685609481 . . . . . . . 172 LEU C . 51096 1 411 . 1 . 1 38 38 LEU CA C 13 60.33094653 1.287603599 . . . . . . . 172 LEU CA . 51096 1 412 . 1 . 1 38 38 LEU CB C 13 44.43692862 1.360511159 . . . . . . . 172 LEU CB . 51096 1 413 . 1 . 1 38 38 LEU CG C 13 25.92209598 0.01226815403 . . . . . . . 172 LEU CG . 51096 1 414 . 1 . 1 38 38 LEU CD1 C 13 23.04312628 0.005364691494 . . . . . . . 172 LEU CD1 . 51096 1 415 . 1 . 1 38 38 LEU CD2 C 13 23.04312628 0.005364691494 . . . . . . . 172 LEU CD2 . 51096 1 416 . 1 . 1 38 38 LEU N N 15 118.2294373 0.009055267251 . . . . . . . 172 LEU N . 51096 1 417 . 1 . 1 39 39 TRP H H 1 8.419794714 0.008648691262 . . . . . . . 173 TRP H . 51096 1 418 . 1 . 1 39 39 TRP HA H 1 4.044882118 0.006245295048 . . . . . . . 173 TRP HA . 51096 1 419 . 1 . 1 39 39 TRP HB2 H 1 2.731138882 0.01770750932 . . . . . . . 173 TRP HB2 . 51096 1 420 . 1 . 1 39 39 TRP HB3 H 1 3.432926799 0.01594731555 . . . . . . . 173 TRP HB3 . 51096 1 421 . 1 . 1 39 39 TRP HD1 H 1 7.437735054 0.00684998059 . . . . . . . 173 TRP HD1 . 51096 1 422 . 1 . 1 39 39 TRP HE1 H 1 10.59004579 0.006417419957 . . . . . . . 173 TRP HE1 . 51096 1 423 . 1 . 1 39 39 TRP HE3 H 1 6.980667364 0.008892857453 . . . . . . . 173 TRP HE3 . 51096 1 424 . 1 . 1 39 39 TRP HZ2 H 1 7.255508282 0.006620166008 . . . . . . . 173 TRP HZ2 . 51096 1 425 . 1 . 1 39 39 TRP HZ3 H 1 6.417678872 0.003657922504 . . . . . . . 173 TRP HZ3 . 51096 1 426 . 1 . 1 39 39 TRP HH2 H 1 6.86050933 0.01265408177 . . . . . . . 173 TRP HH2 . 51096 1 427 . 1 . 1 39 39 TRP C C 13 180.135286 0.02118029191 . . . . . . . 173 TRP C . 51096 1 428 . 1 . 1 39 39 TRP CA C 13 62.15159074 1.356777599 . . . . . . . 173 TRP CA . 51096 1 429 . 1 . 1 39 39 TRP CB C 13 31.13082667 1.241546009 . . . . . . . 173 TRP CB . 51096 1 430 . 1 . 1 39 39 TRP CD1 C 13 128.4179856 0.00001907348633 . . . . . . . 173 TRP CD1 . 51096 1 431 . 1 . 1 39 39 TRP CE3 C 13 120.9157736 0.00001907348633 . . . . . . . 173 TRP CE3 . 51096 1 432 . 1 . 1 39 39 TRP CZ2 C 13 115.9142989 0.00001348699152 . . . . . . . 173 TRP CZ2 . 51096 1 433 . 1 . 1 39 39 TRP CZ3 C 13 120.9203687 0 . . . . . . . 173 TRP CZ3 . 51096 1 434 . 1 . 1 39 39 TRP CH2 C 13 123.4165109 0.00001907348633 . . . . . . . 173 TRP CH2 . 51096 1 435 . 1 . 1 39 39 TRP N N 15 122.0065255 0.01032326066 . . . . . . . 173 TRP N . 51096 1 436 . 1 . 1 39 39 TRP NE1 N 15 131.9777672 0.1006637618 . . . . . . . 173 TRP NE1 . 51096 1 437 . 1 . 1 40 40 ASP H H 1 9.42297106 0.007444227495 . . . . . . . 174 ASP H . 51096 1 438 . 1 . 1 40 40 ASP HA H 1 4.30853438 0.004970091964 . . . . . . . 174 ASP HA . 51096 1 439 . 1 . 1 40 40 ASP HB2 H 1 2.610420516 0.00789954859 . . . . . . . 174 ASP HB2 . 51096 1 440 . 1 . 1 40 40 ASP HB3 H 1 2.861166265 0.01203031742 . . . . . . . 174 ASP HB3 . 51096 1 441 . 1 . 1 40 40 ASP C C 13 178.6633845 0.03834269055 . . . . . . . 174 ASP C . 51096 1 442 . 1 . 1 40 40 ASP CA C 13 59.10731716 1.418704661 . . . . . . . 174 ASP CA . 51096 1 443 . 1 . 1 40 40 ASP CB C 13 41.83791864 1.231224838 . . . . . . . 174 ASP CB . 51096 1 444 . 1 . 1 40 40 ASP N N 15 123.7165054 0.01120936207 . . . . . . . 174 ASP N . 51096 1 445 . 1 . 1 41 41 ARG H H 1 7.845367157 0.01173466698 . . . . . . . 175 ARG H . 51096 1 446 . 1 . 1 41 41 ARG HA H 1 4.192205747 0.00713969846 . . . . . . . 175 ARG HA . 51096 1 447 . 1 . 1 41 41 ARG HB2 H 1 1.666693692 0.01387563618 . . . . . . . 175 ARG HB2 . 51096 1 448 . 1 . 1 41 41 ARG HB3 H 1 1.957707735 0.01252270626 . . . . . . . 175 ARG HB3 . 51096 1 449 . 1 . 1 41 41 ARG HG2 H 1 1.772611628 0.005390373045 . . . . . . . 175 ARG HG2 . 51096 1 450 . 1 . 1 41 41 ARG HG3 H 1 1.772746469 0.005488816144 . . . . . . . 175 ARG HG3 . 51096 1 451 . 1 . 1 41 41 ARG HD2 H 1 3.044827974 0.01242374583 . . . . . . . 175 ARG HD2 . 51096 1 452 . 1 . 1 41 41 ARG HD3 H 1 3.044860789 0.01238903949 . . . . . . . 175 ARG HD3 . 51096 1 453 . 1 . 1 41 41 ARG HE H 1 7.589428163 0.02980642657 . . . . . . . 175 ARG HE . 51096 1 454 . 1 . 1 41 41 ARG C C 13 176.650661 0.03791188371 . . . . . . . 175 ARG C . 51096 1 455 . 1 . 1 41 41 ARG CA C 13 58.31354047 1.40714116 . . . . . . . 175 ARG CA . 51096 1 456 . 1 . 1 41 41 ARG CB C 13 32.90496696 1.393283586 . . . . . . . 175 ARG CB . 51096 1 457 . 1 . 1 41 41 ARG CG C 13 29.93916228 1.410746097 . . . . . . . 175 ARG CG . 51096 1 458 . 1 . 1 41 41 ARG CD C 13 45.42677747 1.386375833 . . . . . . . 175 ARG CD . 51096 1 459 . 1 . 1 41 41 ARG N N 15 115.9926537 0.1291497551 . . . . . . . 175 ARG N . 51096 1 460 . 1 . 1 41 41 ARG NE N 15 114.9889459 0.2150152794 . . . . . . . 175 ARG NE . 51096 1 461 . 1 . 1 42 42 GLY H H 1 7.866496749 0.0131066526 . . . . . . . 176 GLY H . 51096 1 462 . 1 . 1 42 42 GLY HA2 H 1 3.603703133 0.01810541925 . . . . . . . 176 GLY HA2 . 51096 1 463 . 1 . 1 42 42 GLY HA3 H 1 3.897000011 0.01342519617 . . . . . . . 176 GLY HA3 . 51096 1 464 . 1 . 1 42 42 GLY C C 13 174.5921122 0.03013232521 . . . . . . . 176 GLY C . 51096 1 465 . 1 . 1 42 42 GLY CA C 13 47.40530869 1.301625587 . . . . . . . 176 GLY CA . 51096 1 466 . 1 . 1 42 42 GLY N N 15 108.3608825 0.00869493028 . . . . . . . 176 GLY N . 51096 1 467 . 1 . 1 43 43 GLU H H 1 8.273023972 0.01102585822 . . . . . . . 177 GLU H . 51096 1 468 . 1 . 1 43 43 GLU HA H 1 4.003509854 0.01060496088 . . . . . . . 177 GLU HA . 51096 1 469 . 1 . 1 43 43 GLU HB2 H 1 1.742423921 0.008687879799 . . . . . . . 177 GLU HB2 . 51096 1 470 . 1 . 1 43 43 GLU HB3 H 1 2.093915862 0.01020316883 . . . . . . . 177 GLU HB3 . 51096 1 471 . 1 . 1 43 43 GLU HG2 H 1 2.062863291 0.00697063917 . . . . . . . 177 GLU HG2 . 51096 1 472 . 1 . 1 43 43 GLU HG3 H 1 2.063192942 0.006880892401 . . . . . . . 177 GLU HG3 . 51096 1 473 . 1 . 1 43 43 GLU C C 13 176.3516709 0.02381444003 . . . . . . . 177 GLU C . 51096 1 474 . 1 . 1 43 43 GLU CA C 13 59.62905137 1.418181651 . . . . . . . 177 GLU CA . 51096 1 475 . 1 . 1 43 43 GLU CB C 13 32.55513396 1.424267728 . . . . . . . 177 GLU CB . 51096 1 476 . 1 . 1 43 43 GLU CG C 13 38.71539183 1.427052478 . . . . . . . 177 GLU CG . 51096 1 477 . 1 . 1 43 43 GLU N N 15 119.2807428 0.01193827831 . . . . . . . 177 GLU N . 51096 1 478 . 1 . 1 44 44 VAL H H 1 6.91201039 0.009818460505 . . . . . . . 178 VAL H . 51096 1 479 . 1 . 1 44 44 VAL HA H 1 4.369536475 0.007758161327 . . . . . . . 178 VAL HA . 51096 1 480 . 1 . 1 44 44 VAL HB H 1 2.171660303 0.01295852967 . . . . . . . 178 VAL HB . 51096 1 481 . 1 . 1 44 44 VAL HG11 H 1 0.6477841372 0.01005895492 . . . . . . . 178 VAL HG1# . 51096 1 482 . 1 . 1 44 44 VAL HG12 H 1 0.6477841372 0.01005895492 . . . . . . . 178 VAL HG1# . 51096 1 483 . 1 . 1 44 44 VAL HG13 H 1 0.6477841372 0.01005895492 . . . . . . . 178 VAL HG1# . 51096 1 484 . 1 . 1 44 44 VAL HG21 H 1 0.8543641168 0.01493593281 . . . . . . . 178 VAL HG2# . 51096 1 485 . 1 . 1 44 44 VAL HG22 H 1 0.8543641168 0.01493593281 . . . . . . . 178 VAL HG2# . 51096 1 486 . 1 . 1 44 44 VAL HG23 H 1 0.8543641168 0.01493593281 . . . . . . . 178 VAL HG2# . 51096 1 487 . 1 . 1 44 44 VAL C C 13 173.3153446 0.04576748142 . . . . . . . 178 VAL C . 51096 1 488 . 1 . 1 44 44 VAL CA C 13 59.96634623 1.420128846 . . . . . . . 178 VAL CA . 51096 1 489 . 1 . 1 44 44 VAL CB C 13 36.25630236 1.421138139 . . . . . . . 178 VAL CB . 51096 1 490 . 1 . 1 44 44 VAL CG1 C 13 20.49537058 1.279340591 . . . . . . . 178 VAL CG1 . 51096 1 491 . 1 . 1 44 44 VAL CG2 C 13 24.89448385 1.271867187 . . . . . . . 178 VAL CG2 . 51096 1 492 . 1 . 1 44 44 VAL N N 15 106.7148113 0.008009081029 . . . . . . . 178 VAL N . 51096 1 493 . 1 . 1 45 45 GLY H H 1 8.520687448 0.007118279005 . . . . . . . 179 GLY H . 51096 1 494 . 1 . 1 45 45 GLY HA2 H 1 3.762109058 0.01558746571 . . . . . . . 179 GLY HA2 . 51096 1 495 . 1 . 1 45 45 GLY HA3 H 1 3.960076485 0.01876492588 . . . . . . . 179 GLY HA3 . 51096 1 496 . 1 . 1 45 45 GLY C C 13 172.157608 0 . . . . . . . 179 GLY C . 51096 1 497 . 1 . 1 45 45 GLY CA C 13 47.44885608 1.213508325 . . . . . . . 179 GLY CA . 51096 1 498 . 1 . 1 45 45 GLY N N 15 107.6502101 0.008075136345 . . . . . . . 179 GLY N . 51096 1 499 . 1 . 1 46 46 PRO HA H 1 4.237793725 0.01048927117 . . . . . . . 180 PRO HA . 51096 1 500 . 1 . 1 46 46 PRO HB2 H 1 2.026036104 0.008331382986 . . . . . . . 180 PRO HB2 . 51096 1 501 . 1 . 1 46 46 PRO HB3 H 1 2.504134097 0.006381775667 . . . . . . . 180 PRO HB3 . 51096 1 502 . 1 . 1 46 46 PRO HG2 H 1 2.016344965 0.005667821114 . . . . . . . 180 PRO HG2 . 51096 1 503 . 1 . 1 46 46 PRO HG3 H 1 2.079112742 0.002332113149 . . . . . . . 180 PRO HG3 . 51096 1 504 . 1 . 1 46 46 PRO C C 13 175.8849516 0.03782860142 . . . . . . . 180 PRO C . 51096 1 505 . 1 . 1 46 46 PRO CA C 13 67.80601285 1.265443528 . . . . . . . 180 PRO CA . 51096 1 506 . 1 . 1 46 46 PRO CB C 13 34.64049628 1.220546359 . . . . . . . 180 PRO CB . 51096 1 507 . 1 . 1 46 46 PRO CG C 13 29.73367069 0.9458893489 . . . . . . . 180 PRO CG . 51096 1 508 . 1 . 1 46 46 PRO CD C 13 49.44532329 0.02974016806 . . . . . . . 180 PRO CD . 51096 1 509 . 1 . 1 47 47 ASP H H 1 8.295279687 0.01110499503 . . . . . . . 181 ASP H . 51096 1 510 . 1 . 1 47 47 ASP HA H 1 4.675307834 0.01196425127 . . . . . . . 181 ASP HA . 51096 1 511 . 1 . 1 47 47 ASP HB2 H 1 2.546826091 0.009039221931 . . . . . . . 181 ASP HB2 . 51096 1 512 . 1 . 1 47 47 ASP HB3 H 1 2.720905054 0.009043242732 . . . . . . . 181 ASP HB3 . 51096 1 513 . 1 . 1 47 47 ASP C C 13 177.0555631 0.06073571449 . . . . . . . 181 ASP C . 51096 1 514 . 1 . 1 47 47 ASP CA C 13 53.81875169 0.05735210436 . . . . . . . 181 ASP CA . 51096 1 515 . 1 . 1 47 47 ASP CB C 13 42.57771394 1.414671541 . . . . . . . 181 ASP CB . 51096 1 516 . 1 . 1 47 47 ASP N N 15 111.5660195 0.008250810228 . . . . . . . 181 ASP N . 51096 1 517 . 1 . 1 48 48 SER H H 1 8.182864695 0.007059624207 . . . . . . . 182 SER H . 51096 1 518 . 1 . 1 48 48 SER HA H 1 4.419166815 0.01107809723 . . . . . . . 182 SER HA . 51096 1 519 . 1 . 1 48 48 SER HB2 H 1 3.775183204 0.00359481188 . . . . . . . 182 SER HB2 . 51096 1 520 . 1 . 1 48 48 SER HB3 H 1 3.775183204 0.00359481188 . . . . . . . 182 SER HB3 . 51096 1 521 . 1 . 1 48 48 SER C C 13 172.6258884 0.0225327996 . . . . . . . 182 SER C . 51096 1 522 . 1 . 1 48 48 SER CA C 13 61.67155919 1.412267153 . . . . . . . 182 SER CA . 51096 1 523 . 1 . 1 48 48 SER CB C 13 63.11671264 0.9391131574 . . . . . . . 182 SER CB . 51096 1 524 . 1 . 1 48 48 SER N N 15 119.4919755 0.03700987849 . . . . . . . 182 SER N . 51096 1 525 . 1 . 1 49 49 LEU H H 1 8.776246878 0.009003058069 . . . . . . . 183 LEU H . 51096 1 526 . 1 . 1 49 49 LEU HA H 1 4.604261943 0.01164955835 . . . . . . . 183 LEU HA . 51096 1 527 . 1 . 1 49 49 LEU HB2 H 1 1.661580756 0.01654361807 . . . . . . . 183 LEU HB2 . 51096 1 528 . 1 . 1 49 49 LEU HB3 H 1 1.930394746 0.009708436155 . . . . . . . 183 LEU HB3 . 51096 1 529 . 1 . 1 49 49 LEU HG H 1 0.7739429031 0.001977030564 . . . . . . . 183 LEU HG . 51096 1 530 . 1 . 1 49 49 LEU HD11 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD1# . 51096 1 531 . 1 . 1 49 49 LEU HD12 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD1# . 51096 1 532 . 1 . 1 49 49 LEU HD13 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD1# . 51096 1 533 . 1 . 1 49 49 LEU HD21 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD2# . 51096 1 534 . 1 . 1 49 49 LEU HD22 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD2# . 51096 1 535 . 1 . 1 49 49 LEU HD23 H 1 0.6711766686 0.003414110344 . . . . . . . 183 LEU HD2# . 51096 1 536 . 1 . 1 49 49 LEU C C 13 175.5563776 0.02297322338 . . . . . . . 183 LEU C . 51096 1 537 . 1 . 1 49 49 LEU CA C 13 55.89469913 1.389534805 . . . . . . . 183 LEU CA . 51096 1 538 . 1 . 1 49 49 LEU CB C 13 45.97884684 1.350550525 . . . . . . . 183 LEU CB . 51096 1 539 . 1 . 1 49 49 LEU CG C 13 27.85037908 1.066124716 . . . . . . . 183 LEU CG . 51096 1 540 . 1 . 1 49 49 LEU CD1 C 13 24.61058989 1.035073476 . . . . . . . 183 LEU CD1 . 51096 1 541 . 1 . 1 49 49 LEU N N 15 124.2229681 0.01265948074 . . . . . . . 183 LEU N . 51096 1 542 . 1 . 1 50 50 CYS H H 1 9.631299472 0.02696742657 . . . . . . . 184 CYS H . 51096 1 543 . 1 . 1 50 50 CYS HA H 1 6.056270204 0.008324467488 . . . . . . . 184 CYS HA . 51096 1 544 . 1 . 1 50 50 CYS HB2 H 1 2.812130599 0.01468951445 . . . . . . . 184 CYS HB2 . 51096 1 545 . 1 . 1 50 50 CYS HB3 H 1 2.933777152 0.01417821302 . . . . . . . 184 CYS HB3 . 51096 1 546 . 1 . 1 50 50 CYS C C 13 171.8539776 0.02599946625 . . . . . . . 184 CYS C . 51096 1 547 . 1 . 1 50 50 CYS CA C 13 58.29575219 1.289959987 . . . . . . . 184 CYS CA . 51096 1 548 . 1 . 1 50 50 CYS CB C 13 35.67293566 1.252305596 . . . . . . . 184 CYS CB . 51096 1 549 . 1 . 1 50 50 CYS N N 15 117.73596 0.009554291887 . . . . . . . 184 CYS N . 51096 1 550 . 1 . 1 51 51 TRP H H 1 8.434102587 0.009491830047 . . . . . . . 185 TRP H . 51096 1 551 . 1 . 1 51 51 TRP HA H 1 4.041155531 0.005100877297 . . . . . . . 185 TRP HA . 51096 1 552 . 1 . 1 51 51 TRP HB2 H 1 3.315845206 0.01254430339 . . . . . . . 185 TRP HB2 . 51096 1 553 . 1 . 1 51 51 TRP HB3 H 1 3.315845206 0.01254430339 . . . . . . . 185 TRP HB3 . 51096 1 554 . 1 . 1 51 51 TRP HE1 H 1 9.172866981 0.01994069762 . . . . . . . 185 TRP HE1 . 51096 1 555 . 1 . 1 51 51 TRP HZ2 H 1 7.191159775 0.04684059483 . . . . . . . 185 TRP HZ2 . 51096 1 556 . 1 . 1 51 51 TRP C C 13 172.5085497 0 . . . . . . . 185 TRP C . 51096 1 557 . 1 . 1 51 51 TRP CA C 13 60.70986386 1.287785511 . . . . . . . 185 TRP CA . 51096 1 558 . 1 . 1 51 51 TRP CB C 13 29.99382039 0.07391169428 . . . . . . . 185 TRP CB . 51096 1 559 . 1 . 1 51 51 TRP CZ2 C 13 114.6639303 0 . . . . . . . 185 TRP CZ2 . 51096 1 560 . 1 . 1 51 51 TRP N N 15 117.8264294 0.02410727221 . . . . . . . 185 TRP N . 51096 1 561 . 1 . 1 51 51 TRP NE1 N 15 127.0160532 0.04681342366 . . . . . . . 185 TRP NE1 . 51096 1 562 . 1 . 1 52 52 ARG HA H 1 3.479339163 0.01560984384 . . . . . . . 186 ARG HA . 51096 1 563 . 1 . 1 52 52 ARG HB2 H 1 0.005582278287 0.005069440737 . . . . . . . 186 ARG HB2 . 51096 1 564 . 1 . 1 52 52 ARG HB3 H 1 0.005582278287 0.005069440737 . . . . . . . 186 ARG HB3 . 51096 1 565 . 1 . 1 52 52 ARG HG2 H 1 -0.9856319088 0.009460529217 . . . . . . . 186 ARG HG2 . 51096 1 566 . 1 . 1 52 52 ARG HG3 H 1 -0.5443721255 0.007861636686 . . . . . . . 186 ARG HG3 . 51096 1 567 . 1 . 1 52 52 ARG HD2 H 1 0.5505914724 0.009454019253 . . . . . . . 186 ARG HD2 . 51096 1 568 . 1 . 1 52 52 ARG HD3 H 1 0.5505914724 0.009454019253 . . . . . . . 186 ARG HD3 . 51096 1 569 . 1 . 1 52 52 ARG HE H 1 6.33146203 0.0153883819 . . . . . . . 186 ARG HE . 51096 1 570 . 1 . 1 52 52 ARG CA C 13 53.49619318 0.1238809476 . . . . . . . 186 ARG CA . 51096 1 571 . 1 . 1 52 52 ARG CB C 13 32.28203942 0.1469059269 . . . . . . . 186 ARG CB . 51096 1 572 . 1 . 1 52 52 ARG CG C 13 22.79892036 0.1253478795 . . . . . . . 186 ARG CG . 51096 1 573 . 1 . 1 52 52 ARG CD C 13 42.97181817 0.1271367699 . . . . . . . 186 ARG CD . 51096 1 574 . 1 . 1 52 52 ARG NE N 15 115.2489157 0.03865249896 . . . . . . . 186 ARG NE . 51096 1 575 . 1 . 1 53 53 SER H H 1 7.959647539 0.007929118271 . . . . . . . 187 SER H . 51096 1 576 . 1 . 1 53 53 SER HA H 1 3.34107949 0.02456627608 . . . . . . . 187 SER HA . 51096 1 577 . 1 . 1 53 53 SER HB2 H 1 3.274126497 0.02556403481 . . . . . . . 187 SER HB2 . 51096 1 578 . 1 . 1 53 53 SER HB3 H 1 3.274130733 0.02603312915 . . . . . . . 187 SER HB3 . 51096 1 579 . 1 . 1 53 53 SER CA C 13 60.62988678 1.216907108 . . . . . . . 187 SER CA . 51096 1 580 . 1 . 1 53 53 SER CB C 13 64.29299153 1.208739581 . . . . . . . 187 SER CB . 51096 1 581 . 1 . 1 53 53 SER N N 15 113.2535766 0.04966086464 . . . . . . . 187 SER N . 51096 1 582 . 1 . 1 54 54 GLY H H 1 8.55276114 0.008618440327 . . . . . . . 188 GLY H . 51096 1 583 . 1 . 1 54 54 GLY HA2 H 1 4.239540056 0.008553583293 . . . . . . . 188 GLY HA2 . 51096 1 584 . 1 . 1 54 54 GLY HA3 H 1 4.239730664 0.008764335225 . . . . . . . 188 GLY HA3 . 51096 1 585 . 1 . 1 54 54 GLY C C 13 175.2092572 0.03459183061 . . . . . . . 188 GLY C . 51096 1 586 . 1 . 1 54 54 GLY CA C 13 45.93222884 1.406130884 . . . . . . . 188 GLY CA . 51096 1 587 . 1 . 1 54 54 GLY N N 15 116.5035619 0.01286138944 . . . . . . . 188 GLY N . 51096 1 588 . 1 . 1 55 55 PHE H H 1 7.82596248 0.01007959365 . . . . . . . 189 PHE H . 51096 1 589 . 1 . 1 55 55 PHE HA H 1 4.704803253 0.02184400041 . . . . . . . 189 PHE HA . 51096 1 590 . 1 . 1 55 55 PHE HB2 H 1 2.830584054 0.006017427924 . . . . . . . 189 PHE HB2 . 51096 1 591 . 1 . 1 55 55 PHE HB3 H 1 3.264114369 0.009552871508 . . . . . . . 189 PHE HB3 . 51096 1 592 . 1 . 1 55 55 PHE HD1 H 1 7.054841958 0.0125836199 . . . . . . . 189 PHE HD# . 51096 1 593 . 1 . 1 55 55 PHE HD2 H 1 7.054841958 0.0125836199 . . . . . . . 189 PHE HD# . 51096 1 594 . 1 . 1 55 55 PHE HE1 H 1 6.331463795 0.007868658382 . . . . . . . 189 PHE HE# . 51096 1 595 . 1 . 1 55 55 PHE HE2 H 1 6.331463795 0.007868658382 . . . . . . . 189 PHE HE# . 51096 1 596 . 1 . 1 55 55 PHE C C 13 177.3516909 0.03286895797 . . . . . . . 189 PHE C . 51096 1 597 . 1 . 1 55 55 PHE CA C 13 55.14250197 0.04046465666 . . . . . . . 189 PHE CA . 51096 1 598 . 1 . 1 55 55 PHE CB C 13 39.35987324 1.292956285 . . . . . . . 189 PHE CB . 51096 1 599 . 1 . 1 55 55 PHE CD1 C 13 129.6063832 0.09466237735 . . . . . . . 189 PHE CD# . 51096 1 600 . 1 . 1 55 55 PHE CD2 C 13 129.6063832 0.09466237735 . . . . . . . 189 PHE CD# . 51096 1 601 . 1 . 1 55 55 PHE CE1 C 13 125.8011646 0.09745892949 . . . . . . . 189 PHE CE# . 51096 1 602 . 1 . 1 55 55 PHE CE2 C 13 125.8011646 0.09745892949 . . . . . . . 189 PHE CE# . 51096 1 603 . 1 . 1 55 55 PHE N N 15 122.2446807 0.05100064579 . . . . . . . 189 PHE N . 51096 1 604 . 1 . 1 56 56 SER H H 1 8.907667868 0.002257173571 . . . . . . . 190 SER H . 51096 1 605 . 1 . 1 56 56 SER HA H 1 4.372150325 0.005950132223 . . . . . . . 190 SER HA . 51096 1 606 . 1 . 1 56 56 SER HB2 H 1 3.871074393 0.0126055934 . . . . . . . 190 SER HB2 . 51096 1 607 . 1 . 1 56 56 SER HB3 H 1 3.871144944 0.01316384437 . . . . . . . 190 SER HB3 . 51096 1 608 . 1 . 1 56 56 SER C C 13 173.6894727 0.04465810149 . . . . . . . 190 SER C . 51096 1 609 . 1 . 1 56 56 SER CA C 13 61.44757772 1.41588294 . . . . . . . 190 SER CA . 51096 1 610 . 1 . 1 56 56 SER CB C 13 63.81987294 0.9383354368 . . . . . . . 190 SER CB . 51096 1 611 . 1 . 1 56 56 SER N N 15 118.6340124 0.008836701239 . . . . . . . 190 SER N . 51096 1 612 . 1 . 1 57 57 ASP H H 1 7.877848857 0.007787066686 . . . . . . . 191 ASP H . 51096 1 613 . 1 . 1 57 57 ASP HA H 1 5.045886533 0.00780763978 . . . . . . . 191 ASP HA . 51096 1 614 . 1 . 1 57 57 ASP HB2 H 1 2.380900567 0.009146975339 . . . . . . . 191 ASP HB2 . 51096 1 615 . 1 . 1 57 57 ASP HB3 H 1 2.685539894 0.01641028479 . . . . . . . 191 ASP HB3 . 51096 1 616 . 1 . 1 57 57 ASP C C 13 174.9535521 0.01225486369 . . . . . . . 191 ASP C . 51096 1 617 . 1 . 1 57 57 ASP CA C 13 54.59891509 1.386593824 . . . . . . . 191 ASP CA . 51096 1 618 . 1 . 1 57 57 ASP CB C 13 46.14009253 1.340455797 . . . . . . . 191 ASP CB . 51096 1 619 . 1 . 1 57 57 ASP N N 15 118.8435147 0.02367586653 . . . . . . . 191 ASP N . 51096 1 620 . 1 . 1 58 58 TRP H H 1 9.122843425 0.008153489667 . . . . . . . 192 TRP H . 51096 1 621 . 1 . 1 58 58 TRP HA H 1 5.106280123 0.01002505738 . . . . . . . 192 TRP HA . 51096 1 622 . 1 . 1 58 58 TRP HB2 H 1 2.99056188 0.0125383124 . . . . . . . 192 TRP HB2 . 51096 1 623 . 1 . 1 58 58 TRP HB3 H 1 3.173724933 0.009625958624 . . . . . . . 192 TRP HB3 . 51096 1 624 . 1 . 1 58 58 TRP HD1 H 1 7.192681541 0.003555558958 . . . . . . . 192 TRP HD1 . 51096 1 625 . 1 . 1 58 58 TRP HE1 H 1 9.265917563 0.0134786434 . . . . . . . 192 TRP HE1 . 51096 1 626 . 1 . 1 58 58 TRP HE3 H 1 7.153726939 0.01179205985 . . . . . . . 192 TRP HE3 . 51096 1 627 . 1 . 1 58 58 TRP HZ2 H 1 6.665286517 0.009416342762 . . . . . . . 192 TRP HZ2 . 51096 1 628 . 1 . 1 58 58 TRP C C 13 176.5712521 0.0195973651 . . . . . . . 192 TRP C . 51096 1 629 . 1 . 1 58 58 TRP CA C 13 60.32945724 1.343902235 . . . . . . . 192 TRP CA . 51096 1 630 . 1 . 1 58 58 TRP CB C 13 31.23084528 1.238981573 . . . . . . . 192 TRP CB . 51096 1 631 . 1 . 1 58 58 TRP CD1 C 13 128.3023502 0.0740704854 . . . . . . . 192 TRP CD1 . 51096 1 632 . 1 . 1 58 58 TRP CE3 C 13 120.9157736 0.00003015782986 . . . . . . . 192 TRP CE3 . 51096 1 633 . 1 . 1 58 58 TRP CZ2 C 13 114.6639303 0 . . . . . . . 192 TRP CZ2 . 51096 1 634 . 1 . 1 58 58 TRP N N 15 122.582226 0.01338853071 . . . . . . . 192 TRP N . 51096 1 635 . 1 . 1 58 58 TRP NE1 N 15 131.0513256 0.07563099358 . . . . . . . 192 TRP NE1 . 51096 1 636 . 1 . 1 59 59 ILE H H 1 9.129535711 0.008816339803 . . . . . . . 193 ILE H . 51096 1 637 . 1 . 1 59 59 ILE HA H 1 4.959164483 0.005822444858 . . . . . . . 193 ILE HA . 51096 1 638 . 1 . 1 59 59 ILE HB H 1 1.779174162 0.0165145217 . . . . . . . 193 ILE HB . 51096 1 639 . 1 . 1 59 59 ILE HG12 H 1 1.441788354 0.01690309122 . . . . . . . 193 ILE HG12 . 51096 1 640 . 1 . 1 59 59 ILE HG13 H 1 1.441861598 0.01688977007 . . . . . . . 193 ILE HG13 . 51096 1 641 . 1 . 1 59 59 ILE HG21 H 1 0.8271289008 0.01461052893 . . . . . . . 193 ILE HG2# . 51096 1 642 . 1 . 1 59 59 ILE HG22 H 1 0.8271289008 0.01461052893 . . . . . . . 193 ILE HG2# . 51096 1 643 . 1 . 1 59 59 ILE HG23 H 1 0.8271289008 0.01461052893 . . . . . . . 193 ILE HG2# . 51096 1 644 . 1 . 1 59 59 ILE HD11 H 1 0.4659635192 0.0184132499 . . . . . . . 193 ILE HD1# . 51096 1 645 . 1 . 1 59 59 ILE HD12 H 1 0.4659635192 0.0184132499 . . . . . . . 193 ILE HD1# . 51096 1 646 . 1 . 1 59 59 ILE HD13 H 1 0.4659635192 0.0184132499 . . . . . . . 193 ILE HD1# . 51096 1 647 . 1 . 1 59 59 ILE C C 13 173.1660462 0 . . . . . . . 193 ILE C . 51096 1 648 . 1 . 1 59 59 ILE CA C 13 60.5116638 1.398732299 . . . . . . . 193 ILE CA . 51096 1 649 . 1 . 1 59 59 ILE CB C 13 43.02112194 1.42348348 . . . . . . . 193 ILE CB . 51096 1 650 . 1 . 1 59 59 ILE CG1 C 13 26.97938041 1.418712209 . . . . . . . 193 ILE CG1 . 51096 1 651 . 1 . 1 59 59 ILE CG2 C 13 20.03580605 1.392559562 . . . . . . . 193 ILE CG2 . 51096 1 652 . 1 . 1 59 59 ILE CD1 C 13 16.00336583 1.351593108 . . . . . . . 193 ILE CD1 . 51096 1 653 . 1 . 1 59 59 ILE N N 15 119.5810145 0.03213186537 . . . . . . . 193 ILE N . 51096 1 654 . 1 . 1 60 60 PRO HA H 1 4.646421553 0.005148138175 . . . . . . . 194 PRO HA . 51096 1 655 . 1 . 1 60 60 PRO HB2 H 1 1.809142561 0.03440353757 . . . . . . . 194 PRO HB2 . 51096 1 656 . 1 . 1 60 60 PRO HB3 H 1 2.463065682 0.004902634584 . . . . . . . 194 PRO HB3 . 51096 1 657 . 1 . 1 60 60 PRO C C 13 179.4509281 0.0199056262 . . . . . . . 194 PRO C . 51096 1 658 . 1 . 1 60 60 PRO CA C 13 63.24042258 0.06974281092 . . . . . . . 194 PRO CA . 51096 1 659 . 1 . 1 60 60 PRO CB C 13 34.09108709 1.410888727 . . . . . . . 194 PRO CB . 51096 1 660 . 1 . 1 61 61 LEU H H 1 9.224136749 0.01034424652 . . . . . . . 195 LEU H . 51096 1 661 . 1 . 1 61 61 LEU HA H 1 3.997259584 0.02142684538 . . . . . . . 195 LEU HA . 51096 1 662 . 1 . 1 61 61 LEU HB2 H 1 1.209850207 0.01686264451 . . . . . . . 195 LEU HB2 . 51096 1 663 . 1 . 1 61 61 LEU HB3 H 1 1.974340561 0.01853693745 . . . . . . . 195 LEU HB3 . 51096 1 664 . 1 . 1 61 61 LEU C C 13 179.6859689 0.02083946649 . . . . . . . 195 LEU C . 51096 1 665 . 1 . 1 61 61 LEU CA C 13 60.82926222 1.396738988 . . . . . . . 195 LEU CA . 51096 1 666 . 1 . 1 61 61 LEU CB C 13 44.31195128 1.406632083 . . . . . . . 195 LEU CB . 51096 1 667 . 1 . 1 61 61 LEU CG C 13 26.56677101 0.03925979882 . . . . . . . 195 LEU CG . 51096 1 668 . 1 . 1 61 61 LEU CD1 C 13 24.94375522 0.07429446293 . . . . . . . 195 LEU CD1 . 51096 1 669 . 1 . 1 61 61 LEU CD2 C 13 24.94375522 0.07429446293 . . . . . . . 195 LEU CD2 . 51096 1 670 . 1 . 1 61 61 LEU N N 15 128.1032822 0.01133721866 . . . . . . . 195 LEU N . 51096 1 671 . 1 . 1 62 62 SER H H 1 8.690422408 0.00959698109 . . . . . . . 196 SER H . 51096 1 672 . 1 . 1 62 62 SER HA H 1 3.94362298 0.02430297146 . . . . . . . 196 SER HA . 51096 1 673 . 1 . 1 62 62 SER HB2 H 1 3.860659213 0.018378702 . . . . . . . 196 SER HB2 . 51096 1 674 . 1 . 1 62 62 SER HB3 H 1 3.861145093 0.01724230236 . . . . . . . 196 SER HB3 . 51096 1 675 . 1 . 1 62 62 SER C C 13 175.0394998 0.04013524192 . . . . . . . 196 SER C . 51096 1 676 . 1 . 1 62 62 SER CA C 13 61.93177993 1.402833711 . . . . . . . 196 SER CA . 51096 1 677 . 1 . 1 62 62 SER CB C 13 63.88788189 1.400692279 . . . . . . . 196 SER CB . 51096 1 678 . 1 . 1 62 62 SER N N 15 110.0443172 0.04380232123 . . . . . . . 196 SER N . 51096 1 679 . 1 . 1 63 63 GLU H H 1 7.56336657 0.008687539825 . . . . . . . 197 GLU H . 51096 1 680 . 1 . 1 63 63 GLU HA H 1 4.382311564 0.01049752325 . . . . . . . 197 GLU HA . 51096 1 681 . 1 . 1 63 63 GLU HB2 H 1 1.660365621 0.01069857582 . . . . . . . 197 GLU HB2 . 51096 1 682 . 1 . 1 63 63 GLU HB3 H 1 2.30205504 0.01069762535 . . . . . . . 197 GLU HB3 . 51096 1 683 . 1 . 1 63 63 GLU HG2 H 1 2.188298402 0.0146277685 . . . . . . . 197 GLU HG2 . 51096 1 684 . 1 . 1 63 63 GLU HG3 H 1 2.188298402 0.0146277685 . . . . . . . 197 GLU HG3 . 51096 1 685 . 1 . 1 63 63 GLU C C 13 175.5961309 0.06135248949 . . . . . . . 197 GLU C . 51096 1 686 . 1 . 1 63 63 GLU CA C 13 56.40109171 1.422189308 . . . . . . . 197 GLU CA . 51096 1 687 . 1 . 1 63 63 GLU CB C 13 31.74985109 1.413665291 . . . . . . . 197 GLU CB . 51096 1 688 . 1 . 1 63 63 GLU CG C 13 37.54445073 1.420009134 . . . . . . . 197 GLU CG . 51096 1 689 . 1 . 1 63 63 GLU N N 15 119.413786 0.009679977058 . . . . . . . 197 GLU N . 51096 1 690 . 1 . 1 64 64 THR H H 1 7.416093769 0.008988791667 . . . . . . . 198 THR H . 51096 1 691 . 1 . 1 64 64 THR HA H 1 4.102353891 0.0162399623 . . . . . . . 198 THR HA . 51096 1 692 . 1 . 1 64 64 THR HB H 1 4.159610427 0.02880916786 . . . . . . . 198 THR HB . 51096 1 693 . 1 . 1 64 64 THR HG21 H 1 1.262860846 0.006328425138 . . . . . . . 198 THR HG2# . 51096 1 694 . 1 . 1 64 64 THR HG22 H 1 1.262860846 0.006328425138 . . . . . . . 198 THR HG2# . 51096 1 695 . 1 . 1 64 64 THR HG23 H 1 1.262860846 0.006328425138 . . . . . . . 198 THR HG2# . 51096 1 696 . 1 . 1 64 64 THR C C 13 175.3026773 0.02601103801 . . . . . . . 198 THR C . 51096 1 697 . 1 . 1 64 64 THR CA C 13 62.84270978 1.308461724 . . . . . . . 198 THR CA . 51096 1 698 . 1 . 1 64 64 THR CB C 13 68.87296269 1.406299944 . . . . . . . 198 THR CB . 51096 1 699 . 1 . 1 64 64 THR N N 15 118.5376399 0.0391053513 . . . . . . . 198 THR N . 51096 1 700 . 1 . 1 65 65 ALA H H 1 8.539911259 0.01057070303 . . . . . . . 199 ALA H . 51096 1 701 . 1 . 1 65 65 ALA HA H 1 3.911323169 0.008879093591 . . . . . . . 199 ALA HA . 51096 1 702 . 1 . 1 65 65 ALA HB1 H 1 1.347264246 0.01079779659 . . . . . . . 199 ALA HB# . 51096 1 703 . 1 . 1 65 65 ALA HB2 H 1 1.347264246 0.01079779659 . . . . . . . 199 ALA HB# . 51096 1 704 . 1 . 1 65 65 ALA HB3 H 1 1.347264246 0.01079779659 . . . . . . . 199 ALA HB# . 51096 1 705 . 1 . 1 65 65 ALA C C 13 180.2588425 0.02091949487 . . . . . . . 199 ALA C . 51096 1 706 . 1 . 1 65 65 ALA CA C 13 57.35970456 1.419890532 . . . . . . . 199 ALA CA . 51096 1 707 . 1 . 1 65 65 ALA CB C 13 20.06052447 1.382199271 . . . . . . . 199 ALA CB . 51096 1 708 . 1 . 1 65 65 ALA N N 15 133.6071427 0.009613513367 . . . . . . . 199 ALA N . 51096 1 709 . 1 . 1 66 66 GLU H H 1 9.478752938 0.009554632892 . . . . . . . 200 GLU H . 51096 1 710 . 1 . 1 66 66 GLU HA H 1 4.080361852 0.0204548162 . . . . . . . 200 GLU HA . 51096 1 711 . 1 . 1 66 66 GLU HB2 H 1 2.184248854 0.03197504086 . . . . . . . 200 GLU HB2 . 51096 1 712 . 1 . 1 66 66 GLU HB3 H 1 2.18523311 0.03177615742 . . . . . . . 200 GLU HB3 . 51096 1 713 . 1 . 1 66 66 GLU HG2 H 1 2.321934284 0.01125533732 . . . . . . . 200 GLU HG2 . 51096 1 714 . 1 . 1 66 66 GLU HG3 H 1 2.32215889 0.01138145611 . . . . . . . 200 GLU HG3 . 51096 1 715 . 1 . 1 66 66 GLU C C 13 176.5937728 0.03225310324 . . . . . . . 200 GLU C . 51096 1 716 . 1 . 1 66 66 GLU CA C 13 59.95573135 1.417290824 . . . . . . . 200 GLU CA . 51096 1 717 . 1 . 1 66 66 GLU CB C 13 31.11104353 1.41372932 . . . . . . . 200 GLU CB . 51096 1 718 . 1 . 1 66 66 GLU CG C 13 39.36907206 1.351232736 . . . . . . . 200 GLU CG . 51096 1 719 . 1 . 1 66 66 GLU N N 15 115.6761793 0.03264087076 . . . . . . . 200 GLU N . 51096 1 720 . 1 . 1 67 67 LEU H H 1 7.10656791 0.01108998595 . . . . . . . 201 LEU H . 51096 1 721 . 1 . 1 67 67 LEU HA H 1 4.187502947 0.01578749165 . . . . . . . 201 LEU HA . 51096 1 722 . 1 . 1 67 67 LEU HB2 H 1 0.9029352397 0.0186969522 . . . . . . . 201 LEU HB2 . 51096 1 723 . 1 . 1 67 67 LEU HB3 H 1 1.169720537 0.01168239624 . . . . . . . 201 LEU HB3 . 51096 1 724 . 1 . 1 67 67 LEU HG H 1 0.6459357733 0.02727199489 . . . . . . . 201 LEU HG . 51096 1 725 . 1 . 1 67 67 LEU HD21 H 1 -0.1825287705 0.03015246753 . . . . . . . 201 LEU HD2# . 51096 1 726 . 1 . 1 67 67 LEU HD22 H 1 -0.1825287705 0.03015246753 . . . . . . . 201 LEU HD2# . 51096 1 727 . 1 . 1 67 67 LEU HD23 H 1 -0.1825287705 0.03015246753 . . . . . . . 201 LEU HD2# . 51096 1 728 . 1 . 1 67 67 LEU C C 13 176.7453351 0.06560181978 . . . . . . . 201 LEU C . 51096 1 729 . 1 . 1 67 67 LEU CA C 13 55.49171184 1.414110768 . . . . . . . 201 LEU CA . 51096 1 730 . 1 . 1 67 67 LEU CB C 13 44.37723608 1.414457258 . . . . . . . 201 LEU CB . 51096 1 731 . 1 . 1 67 67 LEU CG C 13 27.93018102 0.9137881567 . . . . . . . 201 LEU CG . 51096 1 732 . 1 . 1 67 67 LEU CD1 C 13 24.10444209 1.415259306 . . . . . . . 201 LEU CD1 . 51096 1 733 . 1 . 1 67 67 LEU CD2 C 13 24.87847866 1.042797323 . . . . . . . 201 LEU CD2 . 51096 1 734 . 1 . 1 67 67 LEU N N 15 116.3849803 0.02987523433 . . . . . . . 201 LEU N . 51096 1 735 . 1 . 1 68 68 ALA H H 1 7.616002799 0.009183945226 . . . . . . . 202 ALA H . 51096 1 736 . 1 . 1 68 68 ALA HA H 1 3.602246899 0.009708278306 . . . . . . . 202 ALA HA . 51096 1 737 . 1 . 1 68 68 ALA HB1 H 1 1.244429068 0.007732614058 . . . . . . . 202 ALA HB# . 51096 1 738 . 1 . 1 68 68 ALA HB2 H 1 1.244429068 0.007732614058 . . . . . . . 202 ALA HB# . 51096 1 739 . 1 . 1 68 68 ALA HB3 H 1 1.244429068 0.007732614058 . . . . . . . 202 ALA HB# . 51096 1 740 . 1 . 1 68 68 ALA C C 13 179.3076589 0.02926023006 . . . . . . . 202 ALA C . 51096 1 741 . 1 . 1 68 68 ALA CA C 13 57.29551074 1.39130487 . . . . . . . 202 ALA CA . 51096 1 742 . 1 . 1 68 68 ALA CB C 13 19.75696612 1.423855372 . . . . . . . 202 ALA CB . 51096 1 743 . 1 . 1 68 68 ALA N N 15 122.5820742 0.02861751769 . . . . . . . 202 ALA N . 51096 1 744 . 1 . 1 69 69 SER H H 1 7.958592869 0.0103634762 . . . . . . . 203 SER H . 51096 1 745 . 1 . 1 69 69 SER HA H 1 4.024000452 0.006716851615 . . . . . . . 203 SER HA . 51096 1 746 . 1 . 1 69 69 SER HB2 H 1 3.738347982 0.01283881688 . . . . . . . 203 SER HB2 . 51096 1 747 . 1 . 1 69 69 SER HB3 H 1 3.738347982 0.01283881688 . . . . . . . 203 SER HB3 . 51096 1 748 . 1 . 1 69 69 SER C C 13 174.9752197 0.02800122006 . . . . . . . 203 SER C . 51096 1 749 . 1 . 1 69 69 SER CA C 13 61.72669875 1.394261852 . . . . . . . 203 SER CA . 51096 1 750 . 1 . 1 69 69 SER CB C 13 64.36974124 1.418479386 . . . . . . . 203 SER CB . 51096 1 751 . 1 . 1 69 69 SER N N 15 108.4955653 0.002440669276 . . . . . . . 203 SER N . 51096 1 752 . 1 . 1 70 70 VAL H H 1 7.151552496 0.007270283904 . . . . . . . 204 VAL H . 51096 1 753 . 1 . 1 70 70 VAL HA H 1 3.964556451 0.01000777049 . . . . . . . 204 VAL HA . 51096 1 754 . 1 . 1 70 70 VAL HB H 1 1.897817151 0.01195604392 . . . . . . . 204 VAL HB . 51096 1 755 . 1 . 1 70 70 VAL HG11 H 1 0.5996437647 0.01325199358 . . . . . . . 204 VAL HG1# . 51096 1 756 . 1 . 1 70 70 VAL HG12 H 1 0.5996437647 0.01325199358 . . . . . . . 204 VAL HG1# . 51096 1 757 . 1 . 1 70 70 VAL HG13 H 1 0.5996437647 0.01325199358 . . . . . . . 204 VAL HG1# . 51096 1 758 . 1 . 1 70 70 VAL HG21 H 1 0.6000707797 0.01302779329 . . . . . . . 204 VAL HG2# . 51096 1 759 . 1 . 1 70 70 VAL HG22 H 1 0.6000707797 0.01302779329 . . . . . . . 204 VAL HG2# . 51096 1 760 . 1 . 1 70 70 VAL HG23 H 1 0.6000707797 0.01302779329 . . . . . . . 204 VAL HG2# . 51096 1 761 . 1 . 1 70 70 VAL C C 13 174.8847671 0.1240633349 . . . . . . . 204 VAL C . 51096 1 762 . 1 . 1 70 70 VAL CA C 13 63.63505501 1.396641998 . . . . . . . 204 VAL CA . 51096 1 763 . 1 . 1 70 70 VAL CB C 13 33.6713506 1.421284348 . . . . . . . 204 VAL CB . 51096 1 764 . 1 . 1 70 70 VAL CG1 C 13 22.31774825 1.389735958 . . . . . . . 204 VAL CG1 . 51096 1 765 . 1 . 1 70 70 VAL N N 15 116.7942233 0.02322462764 . . . . . . . 204 VAL N . 51096 1 766 . 1 . 1 71 71 LEU H H 1 6.702307508 0.008666803128 . . . . . . . 205 LEU H . 51096 1 767 . 1 . 1 71 71 LEU HA H 1 3.444440407 0.01047855283 . . . . . . . 205 LEU HA . 51096 1 768 . 1 . 1 71 71 LEU HB2 H 1 0.6888507972 0.01421031584 . . . . . . . 205 LEU HB2 . 51096 1 769 . 1 . 1 71 71 LEU HB3 H 1 0.6888507972 0.01421031584 . . . . . . . 205 LEU HB3 . 51096 1 770 . 1 . 1 71 71 LEU HG H 1 1.111601846 0.02767336298 . . . . . . . 205 LEU HG . 51096 1 771 . 1 . 1 71 71 LEU HD11 H 1 -0.1482658595 0.02284330117 . . . . . . . 205 LEU HD1# . 51096 1 772 . 1 . 1 71 71 LEU HD12 H 1 -0.1482658595 0.02284330117 . . . . . . . 205 LEU HD1# . 51096 1 773 . 1 . 1 71 71 LEU HD13 H 1 -0.1482658595 0.02284330117 . . . . . . . 205 LEU HD1# . 51096 1 774 . 1 . 1 71 71 LEU HD21 H 1 -0.1481564382 0.02307807427 . . . . . . . 205 LEU HD2# . 51096 1 775 . 1 . 1 71 71 LEU HD22 H 1 -0.1481564382 0.02307807427 . . . . . . . 205 LEU HD2# . 51096 1 776 . 1 . 1 71 71 LEU HD23 H 1 -0.1481564382 0.02307807427 . . . . . . . 205 LEU HD2# . 51096 1 777 . 1 . 1 71 71 LEU C C 13 175.3675302 0.0170753557 . . . . . . . 205 LEU C . 51096 1 778 . 1 . 1 71 71 LEU CA C 13 54.78100475 1.406142127 . . . . . . . 205 LEU CA . 51096 1 779 . 1 . 1 71 71 LEU CB C 13 40.06234255 1.424631118 . . . . . . . 205 LEU CB . 51096 1 780 . 1 . 1 71 71 LEU CG C 13 26.9074857 1.420092911 . . . . . . . 205 LEU CG . 51096 1 781 . 1 . 1 71 71 LEU CD1 C 13 23.7427288 1.019938447 . . . . . . . 205 LEU CD1 . 51096 1 782 . 1 . 1 71 71 LEU N N 15 120.2374246 0.04793192214 . . . . . . . 205 LEU N . 51096 1 783 . 1 . 1 72 72 ALA H H 1 7.986900613 0.006483327336 . . . . . . . 206 ALA H . 51096 1 784 . 1 . 1 72 72 ALA HA H 1 4.364609066 0.0118532494 . . . . . . . 206 ALA HA . 51096 1 785 . 1 . 1 72 72 ALA HB1 H 1 1.303999889 0.008085814245 . . . . . . . 206 ALA HB# . 51096 1 786 . 1 . 1 72 72 ALA HB2 H 1 1.303999889 0.008085814245 . . . . . . . 206 ALA HB# . 51096 1 787 . 1 . 1 72 72 ALA HB3 H 1 1.303999889 0.008085814245 . . . . . . . 206 ALA HB# . 51096 1 788 . 1 . 1 72 72 ALA C C 13 178.3252197 0 . . . . . . . 206 ALA C . 51096 1 789 . 1 . 1 72 72 ALA CA C 13 52.52959174 1.386374195 . . . . . . . 206 ALA CA . 51096 1 790 . 1 . 1 72 72 ALA CB C 13 19.75761593 1.34278975 . . . . . . . 206 ALA CB . 51096 1 791 . 1 . 1 72 72 ALA N N 15 126.1523831 0.04799999581 . . . . . . . 206 ALA N . 51096 1 792 . 1 . 1 73 73 PRO HA H 1 4.470800067 0.02152573558 . . . . . . . 207 PRO HA . 51096 1 793 . 1 . 1 73 73 PRO HB2 H 1 1.982312052 0.008741268415 . . . . . . . 207 PRO HB2 . 51096 1 794 . 1 . 1 73 73 PRO HB3 H 1 2.220118921 0.003325567366 . . . . . . . 207 PRO HB3 . 51096 1 795 . 1 . 1 73 73 PRO C C 13 176.7181775 0.01990562629 . . . . . . . 207 PRO C . 51096 1 796 . 1 . 1 73 73 PRO CA C 13 64.55211695 1.385633708 . . . . . . . 207 PRO CA . 51096 1 797 . 1 . 1 73 73 PRO CB C 13 34.17621861 1.079987774 . . . . . . . 207 PRO CB . 51096 1 798 . 1 . 1 74 74 ARG H H 1 8.580528143 0.02485407035 . . . . . . . 208 ARG H . 51096 1 799 . 1 . 1 74 74 ARG HA H 1 4.36974672 0.007125369572 . . . . . . . 208 ARG HA . 51096 1 800 . 1 . 1 74 74 ARG HB2 H 1 1.859767025 0.004440362194 . . . . . . . 208 ARG HB2 . 51096 1 801 . 1 . 1 74 74 ARG HB3 H 1 1.859767025 0.004440362194 . . . . . . . 208 ARG HB3 . 51096 1 802 . 1 . 1 74 74 ARG HG2 H 1 2.203653408 0.002922656239 . . . . . . . 208 ARG HG2 . 51096 1 803 . 1 . 1 74 74 ARG HG3 H 1 2.203653408 0.002922656239 . . . . . . . 208 ARG HG3 . 51096 1 804 . 1 . 1 74 74 ARG HE H 1 6.748243942 0.004618796233 . . . . . . . 208 ARG HE . 51096 1 805 . 1 . 1 74 74 ARG C C 13 174.2025391 0 . . . . . . . 208 ARG C . 51096 1 806 . 1 . 1 74 74 ARG CA C 13 55.11766171 1.399985977 . . . . . . . 208 ARG CA . 51096 1 807 . 1 . 1 74 74 ARG CB C 13 29.81397563 0 . . . . . . . 208 ARG CB . 51096 1 808 . 1 . 1 74 74 ARG CG C 13 26.72782318 0 . . . . . . . 208 ARG CG . 51096 1 809 . 1 . 1 74 74 ARG CD C 13 43.15482088 0 . . . . . . . 208 ARG CD . 51096 1 810 . 1 . 1 74 74 ARG N N 15 123.1826993 0.02577470329 . . . . . . . 208 ARG N . 51096 1 811 . 1 . 1 74 74 ARG NE N 15 115.0393597 0.02819081043 . . . . . . . 208 ARG NE . 51096 1 812 . 1 . 1 75 75 PRO HA H 1 4.017422822 0.01395443718 . . . . . . . 209 PRO HA . 51096 1 813 . 1 . 1 75 75 PRO HB2 H 1 1.970201071 0.004531620234 . . . . . . . 209 PRO HB2 . 51096 1 814 . 1 . 1 75 75 PRO HB3 H 1 1.970201071 0.004531620234 . . . . . . . 209 PRO HB3 . 51096 1 815 . 1 . 1 75 75 PRO C C 13 176.0981815 0.0199056262 . . . . . . . 209 PRO C . 51096 1 816 . 1 . 1 75 75 PRO CA C 13 63.11531492 1.308044594 . . . . . . . 209 PRO CA . 51096 1 817 . 1 . 1 75 75 PRO CB C 13 33.39066321 1.14162448 . . . . . . . 209 PRO CB . 51096 1 818 . 1 . 1 75 75 PRO CG C 13 20.73676932 0.004630466099 . . . . . . . 209 PRO CG . 51096 1 819 . 1 . 1 76 76 SER H H 1 8.326675945 0.01318651403 . . . . . . . 210 SER H . 51096 1 820 . 1 . 1 76 76 SER HA H 1 4.335055468 0.02894899593 . . . . . . . 210 SER HA . 51096 1 821 . 1 . 1 76 76 SER HB2 H 1 3.723363492 0.01404026723 . . . . . . . 210 SER HB2 . 51096 1 822 . 1 . 1 76 76 SER HB3 H 1 3.723363492 0.01404026723 . . . . . . . 210 SER HB3 . 51096 1 823 . 1 . 1 76 76 SER C C 13 173.766126 0.1054980688 . . . . . . . 210 SER C . 51096 1 824 . 1 . 1 76 76 SER CA C 13 58.18768124 0.03124108115 . . . . . . . 210 SER CA . 51096 1 825 . 1 . 1 76 76 SER CB C 13 64.63904975 1.182709419 . . . . . . . 210 SER CB . 51096 1 826 . 1 . 1 76 76 SER N N 15 119.9314486 0.01663217938 . . . . . . . 210 SER N . 51096 1 827 . 1 . 1 77 77 LYS H H 1 8.204252611 0.01320054841 . . . . . . . 211 LYS H . 51096 1 828 . 1 . 1 77 77 LYS HA H 1 4.483998252 0.009452334199 . . . . . . . 211 LYS HA . 51096 1 829 . 1 . 1 77 77 LYS HB2 H 1 1.681381724 0.007520331262 . . . . . . . 211 LYS HB2 . 51096 1 830 . 1 . 1 77 77 LYS HB3 H 1 1.681381724 0.007520331262 . . . . . . . 211 LYS HB3 . 51096 1 831 . 1 . 1 77 77 LYS HG2 H 1 1.356989082 0.001960037976 . . . . . . . 211 LYS HG2 . 51096 1 832 . 1 . 1 77 77 LYS HG3 H 1 1.357002783 0.001911341882 . . . . . . . 211 LYS HG3 . 51096 1 833 . 1 . 1 77 77 LYS HD2 H 1 1.559303216 0.004225849498 . . . . . . . 211 LYS HD2 . 51096 1 834 . 1 . 1 77 77 LYS HD3 H 1 1.559303216 0.004225849498 . . . . . . . 211 LYS HD3 . 51096 1 835 . 1 . 1 77 77 LYS HE2 H 1 2.885312677 0.01401260684 . . . . . . . 211 LYS HE2 . 51096 1 836 . 1 . 1 77 77 LYS HE3 H 1 2.885312677 0.01401260684 . . . . . . . 211 LYS HE3 . 51096 1 837 . 1 . 1 77 77 LYS CA C 13 55.8694617 1.382092127 . . . . . . . 211 LYS CA . 51096 1 838 . 1 . 1 77 77 LYS CB C 13 33.72101295 1.393968318 . . . . . . . 211 LYS CB . 51096 1 839 . 1 . 1 77 77 LYS CG C 13 25.97582235 1.431593049 . . . . . . . 211 LYS CG . 51096 1 840 . 1 . 1 77 77 LYS CD C 13 30.76455775 1.423262032 . . . . . . . 211 LYS CD . 51096 1 841 . 1 . 1 77 77 LYS CE C 13 43.66692244 1.428962557 . . . . . . . 211 LYS CE . 51096 1 842 . 1 . 1 77 77 LYS N N 15 124.0102996 0.02085084074 . . . . . . . 211 LYS N . 51096 1 843 . 1 . 1 78 78 PRO HA H 1 4.294892979 0.01216838224 . . . . . . . 212 PRO HA . 51096 1 844 . 1 . 1 78 78 PRO HB2 H 1 2.128246668 0.01434260389 . . . . . . . 212 PRO HB2 . 51096 1 845 . 1 . 1 78 78 PRO HB3 H 1 2.128246668 0.01434260389 . . . . . . . 212 PRO HB3 . 51096 1 846 . 1 . 1 78 78 PRO HG2 H 1 1.765891587 0.001948074233 . . . . . . . 212 PRO HG2 . 51096 1 847 . 1 . 1 78 78 PRO HG3 H 1 1.765891587 0.001948074233 . . . . . . . 212 PRO HG3 . 51096 1 848 . 1 . 1 78 78 PRO HD2 H 1 3.671826737 0.02417454852 . . . . . . . 212 PRO HD2 . 51096 1 849 . 1 . 1 78 78 PRO HD3 H 1 3.671826737 0.02417454852 . . . . . . . 212 PRO HD3 . 51096 1 850 . 1 . 1 78 78 PRO C C 13 176.3745215 0.01990562638 . . . . . . . 212 PRO C . 51096 1 851 . 1 . 1 78 78 PRO CA C 13 64.54057483 1.414821051 . . . . . . . 212 PRO CA . 51096 1 852 . 1 . 1 78 78 PRO CB C 13 33.2696161 1.420179566 . . . . . . . 212 PRO CB . 51096 1 853 . 1 . 1 78 78 PRO CG C 13 29.13438571 1.348299006 . . . . . . . 212 PRO CG . 51096 1 854 . 1 . 1 78 78 PRO CD C 13 52.28907311 1.397392215 . . . . . . . 212 PRO CD . 51096 1 855 . 1 . 1 79 79 VAL H H 1 8.200691666 0.0066016529 . . . . . . . 213 VAL H . 51096 1 856 . 1 . 1 79 79 VAL HA H 1 3.906890953 0.006915378518 . . . . . . . 213 VAL HA . 51096 1 857 . 1 . 1 79 79 VAL HB H 1 1.871264703 0.009906995947 . . . . . . . 213 VAL HB . 51096 1 858 . 1 . 1 79 79 VAL HG11 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG1# . 51096 1 859 . 1 . 1 79 79 VAL HG12 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG1# . 51096 1 860 . 1 . 1 79 79 VAL HG13 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG1# . 51096 1 861 . 1 . 1 79 79 VAL HG21 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG2# . 51096 1 862 . 1 . 1 79 79 VAL HG22 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG2# . 51096 1 863 . 1 . 1 79 79 VAL HG23 H 1 0.8220162712 0.009789410943 . . . . . . . 213 VAL HG2# . 51096 1 864 . 1 . 1 79 79 VAL C C 13 175.6838373 0.06952344706 . . . . . . . 213 VAL C . 51096 1 865 . 1 . 1 79 79 VAL CA C 13 63.67654157 1.417040366 . . . . . . . 213 VAL CA . 51096 1 866 . 1 . 1 79 79 VAL CB C 13 33.86741306 1.421375656 . . . . . . . 213 VAL CB . 51096 1 867 . 1 . 1 79 79 VAL CG1 C 13 22.08655165 1.424593953 . . . . . . . 213 VAL CG1 . 51096 1 868 . 1 . 1 79 79 VAL CG2 C 13 22.08655165 1.424593953 . . . . . . . 213 VAL CG2 . 51096 1 869 . 1 . 1 79 79 VAL N N 15 121.492186 0.0001513971118 . . . . . . . 213 VAL N . 51096 1 870 . 1 . 1 80 80 ILE H H 1 8.178102174 0.01253841884 . . . . . . . 214 ILE H . 51096 1 871 . 1 . 1 80 80 ILE HA H 1 4.068574456 0.01161391883 . . . . . . . 214 ILE HA . 51096 1 872 . 1 . 1 80 80 ILE HB H 1 1.683191865 0.007599140797 . . . . . . . 214 ILE HB . 51096 1 873 . 1 . 1 80 80 ILE HG12 H 1 1.047849775 0.01005761081 . . . . . . . 214 ILE HG12 . 51096 1 874 . 1 . 1 80 80 ILE HG13 H 1 1.329307435 0.01213395701 . . . . . . . 214 ILE HG13 . 51096 1 875 . 1 . 1 80 80 ILE HG21 H 1 0.7234890448 0.01433526417 . . . . . . . 214 ILE HG2# . 51096 1 876 . 1 . 1 80 80 ILE HG22 H 1 0.7234890448 0.01433526417 . . . . . . . 214 ILE HG2# . 51096 1 877 . 1 . 1 80 80 ILE HG23 H 1 0.7234890448 0.01433526417 . . . . . . . 214 ILE HG2# . 51096 1 878 . 1 . 1 80 80 ILE HD11 H 1 0.6865070694 0.01061698945 . . . . . . . 214 ILE HD1# . 51096 1 879 . 1 . 1 80 80 ILE HD12 H 1 0.6865070694 0.01061698945 . . . . . . . 214 ILE HD1# . 51096 1 880 . 1 . 1 80 80 ILE HD13 H 1 0.6865070694 0.01061698945 . . . . . . . 214 ILE HD1# . 51096 1 881 . 1 . 1 80 80 ILE C C 13 178.0126162 0.05105144813 . . . . . . . 214 ILE C . 51096 1 882 . 1 . 1 80 80 ILE CA C 13 61.40749126 1.325890778 . . . . . . . 214 ILE CA . 51096 1 883 . 1 . 1 80 80 ILE CB C 13 39.4746422 1.326792688 . . . . . . . 214 ILE CB . 51096 1 884 . 1 . 1 80 80 ILE CG1 C 13 27.99993866 1.228848105 . . . . . . . 214 ILE CG1 . 51096 1 885 . 1 . 1 80 80 ILE CG2 C 13 18.00797799 1.265338504 . . . . . . . 214 ILE CG2 . 51096 1 886 . 1 . 1 80 80 ILE CD1 C 13 13.61604872 1.394482072 . . . . . . . 214 ILE CD1 . 51096 1 887 . 1 . 1 80 80 ILE N N 15 126.2281464 0.02989464834 . . . . . . . 214 ILE N . 51096 1 888 . 1 . 1 81 81 VAL H H 1 8.222661177 0.007569948615 . . . . . . . 215 VAL H . 51096 1 889 . 1 . 1 81 81 VAL HA H 1 3.962814946 0.006366330034 . . . . . . . 215 VAL HA . 51096 1 890 . 1 . 1 81 81 VAL HB H 1 1.88512384 0.006237796706 . . . . . . . 215 VAL HB . 51096 1 891 . 1 . 1 81 81 VAL HG11 H 1 0.773624306 0.03637508605 . . . . . . . 215 VAL HG1# . 51096 1 892 . 1 . 1 81 81 VAL HG12 H 1 0.773624306 0.03637508605 . . . . . . . 215 VAL HG1# . 51096 1 893 . 1 . 1 81 81 VAL HG13 H 1 0.773624306 0.03637508605 . . . . . . . 215 VAL HG1# . 51096 1 894 . 1 . 1 81 81 VAL HG21 H 1 0.7990711267 0.009306148223 . . . . . . . 215 VAL HG2# . 51096 1 895 . 1 . 1 81 81 VAL HG22 H 1 0.7990711267 0.009306148223 . . . . . . . 215 VAL HG2# . 51096 1 896 . 1 . 1 81 81 VAL HG23 H 1 0.7990711267 0.009306148223 . . . . . . . 215 VAL HG2# . 51096 1 897 . 1 . 1 81 81 VAL C C 13 174.9319661 0.02234362561 . . . . . . . 215 VAL C . 51096 1 898 . 1 . 1 81 81 VAL CA C 13 63.37438658 1.406913718 . . . . . . . 215 VAL CA . 51096 1 899 . 1 . 1 81 81 VAL CB C 13 34.11387473 1.419481878 . . . . . . . 215 VAL CB . 51096 1 900 . 1 . 1 81 81 VAL CG1 C 13 22.44927093 1.415814708 . . . . . . . 215 VAL CG1 . 51096 1 901 . 1 . 1 81 81 VAL N N 15 126.3495483 0.01398558179 . . . . . . . 215 VAL N . 51096 1 902 . 1 . 1 82 82 ALA H H 1 8.325310231 0.007177123531 . . . . . . . 216 ALA H . 51096 1 903 . 1 . 1 82 82 ALA HA H 1 4.462499657 0.005776483303 . . . . . . . 216 ALA HA . 51096 1 904 . 1 . 1 82 82 ALA HB1 H 1 1.226410857 0.00867690623 . . . . . . . 216 ALA HB# . 51096 1 905 . 1 . 1 82 82 ALA HB2 H 1 1.226410857 0.00867690623 . . . . . . . 216 ALA HB# . 51096 1 906 . 1 . 1 82 82 ALA HB3 H 1 1.226410857 0.00867690623 . . . . . . . 216 ALA HB# . 51096 1 907 . 1 . 1 82 82 ALA C C 13 178.6112621 0 . . . . . . . 216 ALA C . 51096 1 908 . 1 . 1 82 82 ALA CA C 13 51.32155921 1.380871789 . . . . . . . 216 ALA CA . 51096 1 909 . 1 . 1 82 82 ALA CB C 13 19.37808027 1.384009288 . . . . . . . 216 ALA CB . 51096 1 910 . 1 . 1 82 82 ALA N N 15 130.0308605 0.01408392469 . . . . . . . 216 ALA N . 51096 1 911 . 1 . 1 83 83 PRO HA H 1 4.25933202 0.005240385409 . . . . . . . 217 PRO HA . 51096 1 912 . 1 . 1 83 83 PRO HB2 H 1 1.776499701 0.00495389859 . . . . . . . 217 PRO HB2 . 51096 1 913 . 1 . 1 83 83 PRO HB3 H 1 1.776499701 0.00495389859 . . . . . . . 217 PRO HB3 . 51096 1 914 . 1 . 1 83 83 PRO C C 13 177.6076998 0.1017904471 . . . . . . . 217 PRO C . 51096 1 915 . 1 . 1 83 83 PRO CA C 13 63.85168958 1.31992606 . . . . . . . 217 PRO CA . 51096 1 916 . 1 . 1 83 83 PRO CB C 13 33.15152152 1.400070283 . . . . . . . 217 PRO CB . 51096 1 917 . 1 . 1 84 84 GLU H H 1 7.842631384 0.008349496362 . . . . . . . 218 GLU H . 51096 1 918 . 1 . 1 84 84 GLU HA H 1 4.294115571 0.005873877209 . . . . . . . 218 GLU HA . 51096 1 919 . 1 . 1 84 84 GLU HB2 H 1 1.732898684 0.006723002815 . . . . . . . 218 GLU HB2 . 51096 1 920 . 1 . 1 84 84 GLU HB3 H 1 1.732898684 0.006723002815 . . . . . . . 218 GLU HB3 . 51096 1 921 . 1 . 1 84 84 GLU HG2 H 1 2.114488881 0.01164249242 . . . . . . . 218 GLU HG2 . 51096 1 922 . 1 . 1 84 84 GLU HG3 H 1 2.114488881 0.01164249242 . . . . . . . 218 GLU HG3 . 51096 1 923 . 1 . 1 84 84 GLU C C 13 175.8086024 0 . . . . . . . 218 GLU C . 51096 1 924 . 1 . 1 84 84 GLU CA C 13 53.56539753 0.0002503726574 . . . . . . . 218 GLU CA . 51096 1 925 . 1 . 1 84 84 GLU CB C 13 33.48032634 0.9260864794 . . . . . . . 218 GLU CB . 51096 1 926 . 1 . 1 84 84 GLU N N 15 119.3533354 0.01491059793 . . . . . . . 218 GLU N . 51096 1 927 . 1 . 1 85 85 PRO CA C 13 62.23800154 0.1245275942 . . . . . . . 219 PRO CA . 51096 1 928 . 1 . 1 85 85 PRO CB C 13 34.15053711 0.01098298707 . . . . . . . 219 PRO CB . 51096 1 929 . 1 . 1 86 86 VAL H H 1 8.370949042 0.008409162479 . . . . . . . 220 VAL H . 51096 1 930 . 1 . 1 86 86 VAL C C 13 176.6445406 0.04360111574 . . . . . . . 220 VAL C . 51096 1 931 . 1 . 1 86 86 VAL CA C 13 62.93928939 0.04497156467 . . . . . . . 220 VAL CA . 51096 1 932 . 1 . 1 86 86 VAL CB C 13 32.01747634 0.1904799194 . . . . . . . 220 VAL CB . 51096 1 933 . 1 . 1 86 86 VAL N N 15 121.0424173 0.0237802786 . . . . . . . 220 VAL N . 51096 1 934 . 1 . 1 87 87 SER H H 1 8.361720257 0.009267617295 . . . . . . . 221 SER H . 51096 1 935 . 1 . 1 87 87 SER HA H 1 4.314969734 0.03129833681 . . . . . . . 221 SER HA . 51096 1 936 . 1 . 1 87 87 SER HB2 H 1 3.738830148 0.009071537209 . . . . . . . 221 SER HB2 . 51096 1 937 . 1 . 1 87 87 SER HB3 H 1 3.738830148 0.009071537209 . . . . . . . 221 SER HB3 . 51096 1 938 . 1 . 1 87 87 SER C C 13 173.7128072 0.08653933985 . . . . . . . 221 SER C . 51096 1 939 . 1 . 1 87 87 SER CA C 13 58.83451987 1.168317305 . . . . . . . 221 SER CA . 51096 1 940 . 1 . 1 87 87 SER CB C 13 64.07051697 0.05535674035 . . . . . . . 221 SER CB . 51096 1 941 . 1 . 1 87 87 SER N N 15 116.8464287 0.01860086589 . . . . . . . 221 SER N . 51096 1 942 . 1 . 1 88 88 GLY H H 1 7.921292711 0.007264623874 . . . . . . . 222 GLY H . 51096 1 943 . 1 . 1 88 88 GLY HA2 H 1 3.642040619 0.01820870494 . . . . . . . 222 GLY HA2 . 51096 1 944 . 1 . 1 88 88 GLY HA3 H 1 3.642040619 0.01820870494 . . . . . . . 222 GLY HA3 . 51096 1 945 . 1 . 1 88 88 GLY C C 13 178.65376 0 . . . . . . . 222 GLY C . 51096 1 946 . 1 . 1 88 88 GLY CA C 13 46.02735412 0.0002503726574 . . . . . . . 222 GLY CA . 51096 1 947 . 1 . 1 88 88 GLY N N 15 117.249233 0.01403139625 . . . . . . . 222 GLY N . 51096 1 stop_ save_