data_25346 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25346 _Entry.Title ; MG200 EAGR box ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-11-14 _Entry.Accession_date 2014-11-14 _Entry.Last_release_date 2016-03-10 _Entry.Original_release_date 2016-03-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.99 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'MG200 EAGR box, one of the main components of Terminal Organelle of the Mycoplasma genitalium' _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 Daniela Lalli . . . . 25346 2 Luca Martinelli . . . . 25346 3 Luis Garcia-Morales . . . . 25346 4 Merce Ratera . . . . 25346 5 Enrique Querol . . . . 25346 6 Jaume Pinol . . . . 25346 7 Ignacio Fita . . . . 25346 8 Barbara Calisto . M. . . 25346 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25346 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 317 25346 '15N chemical shifts' 79 25346 '1H chemical shifts' 224 25346 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 . . 2016-03-10 2014-11-14 update BMRB 'update entry citation' 25346 1 . . 2014-12-16 2014-11-14 original author 'original release' 25346 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25346 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25471372 _Citation.Full_citation . _Citation.Title ; A major determinant for gliding motility in Mycoplasma genitalium: the interaction between the terminal organelle proteins MG200 and MG491 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1699 _Citation.Page_last 1711 _Citation.Year 2015 _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 Luca Martinelli . . . . 25346 1 2 Daniela Lalli . . . . 25346 1 3 Luis Garcia-Morales . . . . 25346 1 4 Merce Ratera . . . . 25346 1 5 Enrique Querol . . . . 25346 1 6 Jaume Pinol . . . . 25346 1 7 Ignacio Fita . . . . 25346 1 8 Barbara Calisto . M. . . 25346 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25346 _Assembly.ID 1 _Assembly.Name 'MG200 EAGRbox' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MG200 EAGRbox' 1 $MG200_EAGR_box A . yes native no no . . . 25346 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4DCZ . . X-ray 2.9 'Structure for the MG200 EAGR box' . 25346 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MG200_EAGR_box _Entity.Sf_category entity _Entity.Sf_framecode MG200_EAGR_box _Entity.Entry_ID 25346 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MG200_EAGR_box _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAKQEQPEINLDHVVEQTIK KVQQNQNQNKDPDELRSKVP GEVTASDWEALVGDTRYGYF DETGDWSWKGYFDEQGKWVW NEPVDSLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq M122 _Entity.Polymer_author_seq_details 'Construct residues 122-123 and 210-215 were added for cloning purposes and are not part of the domain native sequence' _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 94 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Domain from a Mycoplasma genitalium Terminal Organelle protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes UNP P47442 . EAGR . . . . . . . . . . . . . . 25346 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'GLIDING MOTILITY of Mycoplasma genitalium' 25346 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 122 MET . 25346 1 2 123 ALA . 25346 1 3 124 LYS . 25346 1 4 125 GLN . 25346 1 5 126 GLU . 25346 1 6 127 GLN . 25346 1 7 128 PRO . 25346 1 8 129 GLU . 25346 1 9 130 ILE . 25346 1 10 131 ASN . 25346 1 11 132 LEU . 25346 1 12 133 ASP . 25346 1 13 134 HIS . 25346 1 14 135 VAL . 25346 1 15 136 VAL . 25346 1 16 137 GLU . 25346 1 17 138 GLN . 25346 1 18 139 THR . 25346 1 19 140 ILE . 25346 1 20 141 LYS . 25346 1 21 142 LYS . 25346 1 22 143 VAL . 25346 1 23 144 GLN . 25346 1 24 145 GLN . 25346 1 25 146 ASN . 25346 1 26 147 GLN . 25346 1 27 148 ASN . 25346 1 28 149 GLN . 25346 1 29 150 ASN . 25346 1 30 151 LYS . 25346 1 31 152 ASP . 25346 1 32 153 PRO . 25346 1 33 154 ASP . 25346 1 34 155 GLU . 25346 1 35 156 LEU . 25346 1 36 157 ARG . 25346 1 37 158 SER . 25346 1 38 159 LYS . 25346 1 39 160 VAL . 25346 1 40 161 PRO . 25346 1 41 162 GLY . 25346 1 42 163 GLU . 25346 1 43 164 VAL . 25346 1 44 165 THR . 25346 1 45 166 ALA . 25346 1 46 167 SER . 25346 1 47 168 ASP . 25346 1 48 169 TRP . 25346 1 49 170 GLU . 25346 1 50 171 ALA . 25346 1 51 172 LEU . 25346 1 52 173 VAL . 25346 1 53 174 GLY . 25346 1 54 175 ASP . 25346 1 55 176 THR . 25346 1 56 177 ARG . 25346 1 57 178 TYR . 25346 1 58 179 GLY . 25346 1 59 180 TYR . 25346 1 60 181 PHE . 25346 1 61 182 ASP . 25346 1 62 183 GLU . 25346 1 63 184 THR . 25346 1 64 185 GLY . 25346 1 65 186 ASP . 25346 1 66 187 TRP . 25346 1 67 188 SER . 25346 1 68 189 TRP . 25346 1 69 190 LYS . 25346 1 70 191 GLY . 25346 1 71 192 TYR . 25346 1 72 193 PHE . 25346 1 73 194 ASP . 25346 1 74 195 GLU . 25346 1 75 196 GLN . 25346 1 76 197 GLY . 25346 1 77 198 LYS . 25346 1 78 199 TRP . 25346 1 79 200 VAL . 25346 1 80 201 TRP . 25346 1 81 202 ASN . 25346 1 82 203 GLU . 25346 1 83 204 PRO . 25346 1 84 205 VAL . 25346 1 85 206 ASP . 25346 1 86 207 SER . 25346 1 87 208 LEU . 25346 1 88 209 GLU . 25346 1 89 210 HIS . 25346 1 90 211 HIS . 25346 1 91 212 HIS . 25346 1 92 213 HIS . 25346 1 93 214 HIS . 25346 1 94 215 HIS . 25346 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25346 1 . ALA 2 2 25346 1 . LYS 3 3 25346 1 . GLN 4 4 25346 1 . GLU 5 5 25346 1 . GLN 6 6 25346 1 . PRO 7 7 25346 1 . GLU 8 8 25346 1 . ILE 9 9 25346 1 . ASN 10 10 25346 1 . LEU 11 11 25346 1 . ASP 12 12 25346 1 . HIS 13 13 25346 1 . VAL 14 14 25346 1 . VAL 15 15 25346 1 . GLU 16 16 25346 1 . GLN 17 17 25346 1 . THR 18 18 25346 1 . ILE 19 19 25346 1 . LYS 20 20 25346 1 . LYS 21 21 25346 1 . VAL 22 22 25346 1 . GLN 23 23 25346 1 . GLN 24 24 25346 1 . ASN 25 25 25346 1 . GLN 26 26 25346 1 . ASN 27 27 25346 1 . GLN 28 28 25346 1 . ASN 29 29 25346 1 . LYS 30 30 25346 1 . ASP 31 31 25346 1 . PRO 32 32 25346 1 . ASP 33 33 25346 1 . GLU 34 34 25346 1 . LEU 35 35 25346 1 . ARG 36 36 25346 1 . SER 37 37 25346 1 . LYS 38 38 25346 1 . VAL 39 39 25346 1 . PRO 40 40 25346 1 . GLY 41 41 25346 1 . GLU 42 42 25346 1 . VAL 43 43 25346 1 . THR 44 44 25346 1 . ALA 45 45 25346 1 . SER 46 46 25346 1 . ASP 47 47 25346 1 . TRP 48 48 25346 1 . GLU 49 49 25346 1 . ALA 50 50 25346 1 . LEU 51 51 25346 1 . VAL 52 52 25346 1 . GLY 53 53 25346 1 . ASP 54 54 25346 1 . THR 55 55 25346 1 . ARG 56 56 25346 1 . TYR 57 57 25346 1 . GLY 58 58 25346 1 . TYR 59 59 25346 1 . PHE 60 60 25346 1 . ASP 61 61 25346 1 . GLU 62 62 25346 1 . THR 63 63 25346 1 . GLY 64 64 25346 1 . ASP 65 65 25346 1 . TRP 66 66 25346 1 . SER 67 67 25346 1 . TRP 68 68 25346 1 . LYS 69 69 25346 1 . GLY 70 70 25346 1 . TYR 71 71 25346 1 . PHE 72 72 25346 1 . ASP 73 73 25346 1 . GLU 74 74 25346 1 . GLN 75 75 25346 1 . GLY 76 76 25346 1 . LYS 77 77 25346 1 . TRP 78 78 25346 1 . VAL 79 79 25346 1 . TRP 80 80 25346 1 . ASN 81 81 25346 1 . GLU 82 82 25346 1 . PRO 83 83 25346 1 . VAL 84 84 25346 1 . ASP 85 85 25346 1 . SER 86 86 25346 1 . LEU 87 87 25346 1 . GLU 88 88 25346 1 . HIS 89 89 25346 1 . HIS 90 90 25346 1 . HIS 91 91 25346 1 . HIS 92 92 25346 1 . HIS 93 93 25346 1 . HIS 94 94 25346 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25346 _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 $MG200_EAGR_box . 2097 organism . 'Mycoplasma Genitalium' mycoplasmas . . Bacteria . Mycoplasma Genitalium . . . . . . . . . . . . . 25346 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 25346 _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 $MG200_EAGR_box . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . G37 . . . 25346 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25346 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MG200 EAGR box' '[U-100% 13C; U-100% 15N]' . . 1 $MG200_EAGR_box . . 1 . . mM . . . . 25346 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25346 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25346 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25346 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25346 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 25346 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . M 25346 1 pH 6.5 . pH 25346 1 pressure 1 . atm 25346 1 temperature 298 . K 25346 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25346 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25346 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25346 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25346 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25346 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25346 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25346 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25346 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25346 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25346 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25346 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25346 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25346 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25346 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25346 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25346 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25346 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25346 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25346 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25346 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25346 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25346 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25346 1 2 '2D 1H-13C HSQC' . . . 25346 1 3 '3D CBCA(CO)NH' . . . 25346 1 4 '3D HNCO' . . . 25346 1 5 '3D HNCA' . . . 25346 1 6 '3D HN(CO)CA' . . . 25346 1 7 '3D HNCACB' . . . 25346 1 8 '3D HN(CA)CO' . . . 25346 1 9 '3D 1H-15N NOESY' . . . 25346 1 10 '3D 1H-13C NOESY' . . . 25346 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 GLN H H 1 8.49 0.02 . 1 . . . . 125 GLN H . 25346 1 2 . 1 1 4 4 GLN HA H 1 4.21 0.02 . 1 . . . . 125 GLN HA . 25346 1 3 . 1 1 4 4 GLN CA C 13 55.8 0.3 . 1 . . . . 125 GLN CA . 25346 1 4 . 1 1 4 4 GLN CB C 13 29.4 0.3 . 1 . . . . 125 GLN CB . 25346 1 5 . 1 1 4 4 GLN CG C 13 33.9 0.3 . 1 . . . . 125 GLN CG . 25346 1 6 . 1 1 4 4 GLN N N 15 122.6 0.3 . 1 . . . . 125 GLN N . 25346 1 7 . 1 1 5 5 GLU H H 1 8.48 0.02 . 1 . . . . 126 GLU H . 25346 1 8 . 1 1 5 5 GLU HA H 1 4.21 0.02 . 1 . . . . 126 GLU HA . 25346 1 9 . 1 1 5 5 GLU C C 13 176.1 0.3 . 1 . . . . 126 GLU C . 25346 1 10 . 1 1 5 5 GLU CA C 13 56.5 0.3 . 1 . . . . 126 GLU CA . 25346 1 11 . 1 1 5 5 GLU CB C 13 30.2 0.3 . 1 . . . . 126 GLU CB . 25346 1 12 . 1 1 5 5 GLU CG C 13 36.5 0.3 . 1 . . . . 126 GLU CG . 25346 1 13 . 1 1 5 5 GLU N N 15 122.9 0.3 . 1 . . . . 126 GLU N . 25346 1 14 . 1 1 6 6 GLN H H 1 8.36 0.02 . 1 . . . . 127 GLN H . 25346 1 15 . 1 1 6 6 GLN HA H 1 4.57 0.02 . 1 . . . . 127 GLN HA . 25346 1 16 . 1 1 6 6 GLN C C 13 173.8 0.3 . 1 . . . . 127 GLN C . 25346 1 17 . 1 1 6 6 GLN CA C 13 53.6 0.3 . 1 . . . . 127 GLN CA . 25346 1 18 . 1 1 6 6 GLN CB C 13 29.3 0.3 . 1 . . . . 127 GLN CB . 25346 1 19 . 1 1 6 6 GLN CG C 13 33.8 0.3 . 1 . . . . 127 GLN CG . 25346 1 20 . 1 1 6 6 GLN N N 15 121.8 0.3 . 1 . . . . 127 GLN N . 25346 1 21 . 1 1 7 7 PRO HA H 1 4.30 0.02 . 1 . . . . 128 PRO HA . 25346 1 22 . 1 1 7 7 PRO CA C 13 63.0 0.3 . 1 . . . . 128 PRO CA . 25346 1 23 . 1 1 7 7 PRO CB C 13 32.1 0.3 . 1 . . . . 128 PRO CB . 25346 1 24 . 1 1 7 7 PRO CG C 13 27.8 0.3 . 1 . . . . 128 PRO CG . 25346 1 25 . 1 1 7 7 PRO CD C 13 50.9 0.3 . 1 . . . . 128 PRO CD . 25346 1 26 . 1 1 8 8 GLU H H 1 8.47 0.02 . 1 . . . . 129 GLU H . 25346 1 27 . 1 1 8 8 GLU HA H 1 4.20 0.02 . 1 . . . . 129 GLU HA . 25346 1 28 . 1 1 8 8 GLU C C 13 176.4 0.3 . 1 . . . . 129 GLU C . 25346 1 29 . 1 1 8 8 GLU CA C 13 56.7 0.3 . 1 . . . . 129 GLU CA . 25346 1 30 . 1 1 8 8 GLU CB C 13 30.1 0.3 . 1 . . . . 129 GLU CB . 25346 1 31 . 1 1 8 8 GLU CG C 13 36.5 0.3 . 1 . . . . 129 GLU CG . 25346 1 32 . 1 1 8 8 GLU N N 15 121.2 0.3 . 1 . . . . 129 GLU N . 25346 1 33 . 1 1 9 9 ILE H H 1 8.05 0.02 . 1 . . . . 130 ILE H . 25346 1 34 . 1 1 9 9 ILE HA H 1 4.05 0.02 . 1 . . . . 130 ILE HA . 25346 1 35 . 1 1 9 9 ILE HB H 1 1.73 0.02 . 1 . . . . 130 ILE HB . 25346 1 36 . 1 1 9 9 ILE C C 13 175.5 0.3 . 1 . . . . 130 ILE C . 25346 1 37 . 1 1 9 9 ILE CA C 13 61.0 0.3 . 1 . . . . 130 ILE CA . 25346 1 38 . 1 1 9 9 ILE CB C 13 38.9 0.3 . 1 . . . . 130 ILE CB . 25346 1 39 . 1 1 9 9 ILE CG1 C 13 27.2 0.3 . 1 . . . . 130 ILE CG1 . 25346 1 40 . 1 1 9 9 ILE CG2 C 13 17.4 0.3 . 1 . . . . 130 ILE CG2 . 25346 1 41 . 1 1 9 9 ILE CD1 C 13 13.1 0.3 . 1 . . . . 130 ILE CD1 . 25346 1 42 . 1 1 9 9 ILE N N 15 121.7 0.3 . 1 . . . . 130 ILE N . 25346 1 43 . 1 1 10 10 ASN H H 1 8.43 0.02 . 1 . . . . 131 ASN H . 25346 1 44 . 1 1 10 10 ASN HA H 1 4.62 0.02 . 1 . . . . 131 ASN HA . 25346 1 45 . 1 1 10 10 ASN C C 13 175.2 0.3 . 1 . . . . 131 ASN C . 25346 1 46 . 1 1 10 10 ASN CA C 13 53.1 0.3 . 1 . . . . 131 ASN CA . 25346 1 47 . 1 1 10 10 ASN CB C 13 39.0 0.3 . 1 . . . . 131 ASN CB . 25346 1 48 . 1 1 10 10 ASN CG C 13 175.0 0.3 . 1 . . . . 131 ASN CG . 25346 1 49 . 1 1 10 10 ASN N N 15 123.0 0.3 . 1 . . . . 131 ASN N . 25346 1 50 . 1 1 11 11 LEU H H 1 8.29 0.02 . 1 . . . . 132 LEU H . 25346 1 51 . 1 1 11 11 LEU HA H 1 4.19 0.02 . 1 . . . . 132 LEU HA . 25346 1 52 . 1 1 11 11 LEU C C 13 177.2 0.3 . 1 . . . . 132 LEU C . 25346 1 53 . 1 1 11 11 LEU CA C 13 55.4 0.3 . 1 . . . . 132 LEU CA . 25346 1 54 . 1 1 11 11 LEU CB C 13 42.2 0.3 . 1 . . . . 132 LEU CB . 25346 1 55 . 1 1 11 11 LEU CG C 13 27.1 0.3 . 1 . . . . 132 LEU CG . 25346 1 56 . 1 1 11 11 LEU CD1 C 13 25.0 0.3 . 1 . . . . 132 LEU CD1 . 25346 1 57 . 1 1 11 11 LEU CD2 C 13 23.3 0.3 . 1 . . . . 132 LEU CD2 . 25346 1 58 . 1 1 11 11 LEU N N 15 123.7 0.3 . 1 . . . . 132 LEU N . 25346 1 59 . 1 1 12 12 ASP H H 1 8.19 0.02 . 1 . . . . 133 ASP H . 25346 1 60 . 1 1 12 12 ASP HA H 1 4.40 0.02 . 1 . . . . 133 ASP HA . 25346 1 61 . 1 1 12 12 ASP C C 13 176.2 0.3 . 1 . . . . 133 ASP C . 25346 1 62 . 1 1 12 12 ASP CA C 13 54.9 0.3 . 1 . . . . 133 ASP CA . 25346 1 63 . 1 1 12 12 ASP CB C 13 40.8 0.3 . 1 . . . . 133 ASP CB . 25346 1 64 . 1 1 12 12 ASP N N 15 119.8 0.3 . 1 . . . . 133 ASP N . 25346 1 65 . 1 1 14 14 VAL H H 1 7.99 0.02 . 1 . . . . 135 VAL H . 25346 1 66 . 1 1 14 14 VAL HA H 1 3.92 0.02 . 1 . . . . 135 VAL HA . 25346 1 67 . 1 1 14 14 VAL HB H 1 1.95 0.02 . 1 . . . . 135 VAL HB . 25346 1 68 . 1 1 14 14 VAL C C 13 176.4 0.3 . 1 . . . . 135 VAL C . 25346 1 69 . 1 1 14 14 VAL CA C 13 63.1 0.3 . 1 . . . . 135 VAL CA . 25346 1 70 . 1 1 14 14 VAL CB C 13 32.4 0.3 . 1 . . . . 135 VAL CB . 25346 1 71 . 1 1 14 14 VAL CG1 C 13 21.0 0.3 . 1 . . . . 135 VAL CG1 . 25346 1 72 . 1 1 14 14 VAL N N 15 121.9 0.3 . 1 . . . . 135 VAL N . 25346 1 73 . 1 1 15 15 VAL H H 1 8.15 0.02 . 1 . . . . 136 VAL H . 25346 1 74 . 1 1 15 15 VAL HA H 1 3.94 0.02 . 1 . . . . 136 VAL HA . 25346 1 75 . 1 1 15 15 VAL HB H 1 1.94 0.02 . 1 . . . . 136 VAL HB . 25346 1 76 . 1 1 15 15 VAL C C 13 176.3 0.3 . 1 . . . . 136 VAL C . 25346 1 77 . 1 1 15 15 VAL CA C 13 62.8 0.3 . 1 . . . . 136 VAL CA . 25346 1 78 . 1 1 15 15 VAL CB C 13 32.6 0.3 . 1 . . . . 136 VAL CB . 25346 1 79 . 1 1 15 15 VAL CG1 C 13 21.0 0.3 . 1 . . . . 136 VAL CG1 . 25346 1 80 . 1 1 15 15 VAL N N 15 124.3 0.3 . 1 . . . . 136 VAL N . 25346 1 81 . 1 1 16 16 GLU H H 1 8.38 0.02 . 1 . . . . 137 GLU H . 25346 1 82 . 1 1 16 16 GLU HA H 1 4.14 0.02 . 1 . . . . 137 GLU HA . 25346 1 83 . 1 1 16 16 GLU HB2 H 1 1.84 0.02 . 2 . . . . 137 GLU HB2 . 25346 1 84 . 1 1 16 16 GLU HB3 H 1 1.90 0.02 . 2 . . . . 137 GLU HB3 . 25346 1 85 . 1 1 16 16 GLU C C 13 176.6 0.3 . 1 . . . . 137 GLU C . 25346 1 86 . 1 1 16 16 GLU CA C 13 57.0 0.3 . 1 . . . . 137 GLU CA . 25346 1 87 . 1 1 16 16 GLU CB C 13 30.2 0.3 . 1 . . . . 137 GLU CB . 25346 1 88 . 1 1 16 16 GLU CG C 13 36.3 0.3 . 1 . . . . 137 GLU CG . 25346 1 89 . 1 1 16 16 GLU N N 15 124.7 0.3 . 1 . . . . 137 GLU N . 25346 1 90 . 1 1 17 17 GLN H H 1 8.35 0.02 . 1 . . . . 138 GLN H . 25346 1 91 . 1 1 17 17 GLN HA H 1 4.21 0.02 . 1 . . . . 138 GLN HA . 25346 1 92 . 1 1 17 17 GLN C C 13 176.3 0.3 . 1 . . . . 138 GLN C . 25346 1 93 . 1 1 17 17 GLN CA C 13 56.1 0.3 . 1 . . . . 138 GLN CA . 25346 1 94 . 1 1 17 17 GLN CB C 13 29.5 0.3 . 1 . . . . 138 GLN CB . 25346 1 95 . 1 1 17 17 GLN CG C 13 33.4 0.3 . 1 . . . . 138 GLN CG . 25346 1 96 . 1 1 17 17 GLN CD C 13 180.4 0.3 . 1 . . . . 138 GLN CD . 25346 1 97 . 1 1 17 17 GLN N N 15 121.3 0.3 . 1 . . . . 138 GLN N . 25346 1 98 . 1 1 18 18 THR H H 1 8.13 0.02 . 1 . . . . 139 THR H . 25346 1 99 . 1 1 18 18 THR HA H 1 4.16 0.02 . 1 . . . . 139 THR HA . 25346 1 100 . 1 1 18 18 THR HB H 1 4.08 0.02 . 1 . . . . 139 THR HB . 25346 1 101 . 1 1 18 18 THR C C 13 174.6 0.3 . 1 . . . . 139 THR C . 25346 1 102 . 1 1 18 18 THR CA C 13 62.6 0.3 . 1 . . . . 139 THR CA . 25346 1 103 . 1 1 18 18 THR CB C 13 69.8 0.3 . 1 . . . . 139 THR CB . 25346 1 104 . 1 1 18 18 THR CG2 C 13 21.4 0.3 . 1 . . . . 139 THR CG2 . 25346 1 105 . 1 1 18 18 THR N N 15 115.9 0.3 . 1 . . . . 139 THR N . 25346 1 106 . 1 1 19 19 ILE H H 1 8.07 0.02 . 1 . . . . 140 ILE H . 25346 1 107 . 1 1 19 19 ILE HA H 1 4.01 0.02 . 1 . . . . 140 ILE HA . 25346 1 108 . 1 1 19 19 ILE HB H 1 1.75 0.02 . 1 . . . . 140 ILE HB . 25346 1 109 . 1 1 19 19 ILE C C 13 176.2 0.3 . 1 . . . . 140 ILE C . 25346 1 110 . 1 1 19 19 ILE CA C 13 61.5 0.3 . 1 . . . . 140 ILE CA . 25346 1 111 . 1 1 19 19 ILE CB C 13 38.5 0.3 . 1 . . . . 140 ILE CB . 25346 1 112 . 1 1 19 19 ILE CG1 C 13 27.4 0.3 . 1 . . . . 140 ILE CG1 . 25346 1 113 . 1 1 19 19 ILE CG2 C 13 17.4 0.3 . 1 . . . . 140 ILE CG2 . 25346 1 114 . 1 1 19 19 ILE CD1 C 13 13.0 0.3 . 1 . . . . 140 ILE CD1 . 25346 1 115 . 1 1 19 19 ILE N N 15 123.4 0.3 . 1 . . . . 140 ILE N . 25346 1 116 . 1 1 20 20 LYS H H 1 8.23 0.02 . 1 . . . . 141 LYS H . 25346 1 117 . 1 1 20 20 LYS HA H 1 4.19 0.02 . 1 . . . . 141 LYS HA . 25346 1 118 . 1 1 20 20 LYS C C 13 176.4 0.3 . 1 . . . . 141 LYS C . 25346 1 119 . 1 1 20 20 LYS CA C 13 56.4 0.3 . 1 . . . . 141 LYS CA . 25346 1 120 . 1 1 20 20 LYS CB C 13 33.0 0.3 . 1 . . . . 141 LYS CB . 25346 1 121 . 1 1 20 20 LYS CG C 13 24.9 0.3 . 1 . . . . 141 LYS CG . 25346 1 122 . 1 1 20 20 LYS CD C 13 29.2 0.3 . 1 . . . . 141 LYS CD . 25346 1 123 . 1 1 20 20 LYS CE C 13 42.2 0.3 . 1 . . . . 141 LYS CE . 25346 1 124 . 1 1 20 20 LYS N N 15 125.4 0.3 . 1 . . . . 141 LYS N . 25346 1 125 . 1 1 21 21 LYS H H 1 8.20 0.02 . 1 . . . . 142 LYS H . 25346 1 126 . 1 1 21 21 LYS HA H 1 4.19 0.02 . 1 . . . . 142 LYS HA . 25346 1 127 . 1 1 21 21 LYS C C 13 176.6 0.3 . 1 . . . . 142 LYS C . 25346 1 128 . 1 1 21 21 LYS CA C 13 56.5 0.3 . 1 . . . . 142 LYS CA . 25346 1 129 . 1 1 21 21 LYS CB C 13 33.0 0.3 . 1 . . . . 142 LYS CB . 25346 1 130 . 1 1 21 21 LYS CG C 13 24.9 0.3 . 1 . . . . 142 LYS CG . 25346 1 131 . 1 1 21 21 LYS CD C 13 29.3 0.3 . 1 . . . . 142 LYS CD . 25346 1 132 . 1 1 21 21 LYS CE C 13 42.4 0.3 . 1 . . . . 142 LYS CE . 25346 1 133 . 1 1 21 21 LYS N N 15 123.2 0.3 . 1 . . . . 142 LYS N . 25346 1 134 . 1 1 22 22 VAL H H 1 8.10 0.02 . 1 . . . . 143 VAL H . 25346 1 135 . 1 1 22 22 VAL HA H 1 3.93 0.02 . 1 . . . . 143 VAL HA . 25346 1 136 . 1 1 22 22 VAL HB H 1 1.90 0.02 . 1 . . . . 143 VAL HB . 25346 1 137 . 1 1 22 22 VAL C C 13 176.3 0.3 . 1 . . . . 143 VAL C . 25346 1 138 . 1 1 22 22 VAL CA C 13 62.8 0.3 . 1 . . . . 143 VAL CA . 25346 1 139 . 1 1 22 22 VAL CB C 13 32.8 0.3 . 1 . . . . 143 VAL CB . 25346 1 140 . 1 1 22 22 VAL CG1 C 13 21.0 0.3 . 1 . . . . 143 VAL CG1 . 25346 1 141 . 1 1 22 22 VAL N N 15 121.8 0.3 . 1 . . . . 143 VAL N . 25346 1 142 . 1 1 23 23 GLN H H 1 8.38 0.02 . 1 . . . . 144 GLN H . 25346 1 143 . 1 1 23 23 GLN HA H 1 4.68 0.02 . 1 . . . . 144 GLN HA . 25346 1 144 . 1 1 23 23 GLN C C 13 176.0 0.3 . 1 . . . . 144 GLN C . 25346 1 145 . 1 1 23 23 GLN CA C 13 55.9 0.3 . 1 . . . . 144 GLN CA . 25346 1 146 . 1 1 23 23 GLN CB C 13 29.9 0.3 . 1 . . . . 144 GLN CB . 25346 1 147 . 1 1 23 23 GLN CG C 13 33.7 0.3 . 1 . . . . 144 GLN CG . 25346 1 148 . 1 1 23 23 GLN N N 15 124.1 0.3 . 1 . . . . 144 GLN N . 25346 1 149 . 1 1 24 24 GLN H H 1 8.38 0.02 . 1 . . . . 145 GLN H . 25346 1 150 . 1 1 24 24 GLN HA H 1 4.68 0.02 . 1 . . . . 145 GLN HA . 25346 1 151 . 1 1 24 24 GLN C C 13 175.8 0.3 . 1 . . . . 145 GLN C . 25346 1 152 . 1 1 24 24 GLN CA C 13 56.1 0.3 . 1 . . . . 145 GLN CA . 25346 1 153 . 1 1 24 24 GLN CB C 13 29.2 0.3 . 1 . . . . 145 GLN CB . 25346 1 154 . 1 1 24 24 GLN CG C 13 34.5 0.3 . 1 . . . . 145 GLN CG . 25346 1 155 . 1 1 24 24 GLN N N 15 121.9 0.3 . 1 . . . . 145 GLN N . 25346 1 156 . 1 1 25 25 ASN H H 1 8.44 0.02 . 1 . . . . 146 ASN H . 25346 1 157 . 1 1 25 25 ASN HA H 1 4.57 0.02 . 1 . . . . 146 ASN HA . 25346 1 158 . 1 1 25 25 ASN C C 13 175.4 0.3 . 1 . . . . 146 ASN C . 25346 1 159 . 1 1 25 25 ASN CA C 13 53.5 0.3 . 1 . . . . 146 ASN CA . 25346 1 160 . 1 1 25 25 ASN CB C 13 38.7 0.3 . 1 . . . . 146 ASN CB . 25346 1 161 . 1 1 25 25 ASN CG C 13 178.5 0.3 . 1 . . . . 146 ASN CG . 25346 1 162 . 1 1 25 25 ASN N N 15 119.6 0.3 . 1 . . . . 146 ASN N . 25346 1 163 . 1 1 26 26 GLN H H 1 8.38 0.02 . 1 . . . . 147 GLN H . 25346 1 164 . 1 1 26 26 GLN HA H 1 4.20 0.02 . 1 . . . . 147 GLN HA . 25346 1 165 . 1 1 26 26 GLN C C 13 175.9 0.3 . 1 . . . . 147 GLN C . 25346 1 166 . 1 1 26 26 GLN CA C 13 56.4 0.3 . 1 . . . . 147 GLN CA . 25346 1 167 . 1 1 26 26 GLN CB C 13 29.2 0.3 . 1 . . . . 147 GLN CB . 25346 1 168 . 1 1 26 26 GLN CG C 13 34.0 0.3 . 1 . . . . 147 GLN CG . 25346 1 169 . 1 1 26 26 GLN N N 15 120.6 0.3 . 1 . . . . 147 GLN N . 25346 1 170 . 1 1 27 27 ASN H H 1 8.39 0.02 . 1 . . . . 148 ASN H . 25346 1 171 . 1 1 27 27 ASN HA H 1 4.57 0.02 . 1 . . . . 148 ASN HA . 25346 1 172 . 1 1 27 27 ASN C C 13 175.2 0.3 . 1 . . . . 148 ASN C . 25346 1 173 . 1 1 27 27 ASN CA C 13 53.4 0.3 . 1 . . . . 148 ASN CA . 25346 1 174 . 1 1 27 27 ASN CB C 13 38.8 0.3 . 1 . . . . 148 ASN CB . 25346 1 175 . 1 1 27 27 ASN CG C 13 178.5 0.3 . 1 . . . . 148 ASN CG . 25346 1 176 . 1 1 27 27 ASN N N 15 119.2 0.3 . 1 . . . . 148 ASN N . 25346 1 177 . 1 1 28 28 GLN H H 1 8.26 0.02 . 1 . . . . 149 GLN H . 25346 1 178 . 1 1 28 28 GLN HA H 1 4.21 0.02 . 1 . . . . 149 GLN HA . 25346 1 179 . 1 1 28 28 GLN C C 13 175.7 0.3 . 1 . . . . 149 GLN C . 25346 1 180 . 1 1 28 28 GLN CA C 13 56.1 0.3 . 1 . . . . 149 GLN CA . 25346 1 181 . 1 1 28 28 GLN CB C 13 29.3 0.3 . 1 . . . . 149 GLN CB . 25346 1 182 . 1 1 28 28 GLN CG C 13 34.1 0.3 . 1 . . . . 149 GLN CG . 25346 1 183 . 1 1 28 28 GLN N N 15 120.3 0.3 . 1 . . . . 149 GLN N . 25346 1 184 . 1 1 29 29 ASN H H 1 8.36 0.02 . 1 . . . . 150 ASN H . 25346 1 185 . 1 1 29 29 ASN HA H 1 4.62 0.02 . 1 . . . . 150 ASN HA . 25346 1 186 . 1 1 29 29 ASN C C 13 175.1 0.3 . 1 . . . . 150 ASN C . 25346 1 187 . 1 1 29 29 ASN CA C 13 53.3 0.3 . 1 . . . . 150 ASN CA . 25346 1 188 . 1 1 29 29 ASN CB C 13 38.9 0.3 . 1 . . . . 150 ASN CB . 25346 1 189 . 1 1 29 29 ASN N N 15 119.5 0.3 . 1 . . . . 150 ASN N . 25346 1 190 . 1 1 30 30 LYS H H 1 8.17 0.02 . 1 . . . . 151 LYS H . 25346 1 191 . 1 1 30 30 LYS HA H 1 4.19 0.02 . 1 . . . . 151 LYS HA . 25346 1 192 . 1 1 30 30 LYS C C 13 175.8 0.3 . 1 . . . . 151 LYS C . 25346 1 193 . 1 1 30 30 LYS CA C 13 56.0 0.3 . 1 . . . . 151 LYS CA . 25346 1 194 . 1 1 30 30 LYS CB C 13 33.3 0.3 . 1 . . . . 151 LYS CB . 25346 1 195 . 1 1 30 30 LYS CG C 13 25.0 0.3 . 1 . . . . 151 LYS CG . 25346 1 196 . 1 1 30 30 LYS CD C 13 29.2 0.3 . 1 . . . . 151 LYS CD . 25346 1 197 . 1 1 30 30 LYS CE C 13 42.5 0.3 . 1 . . . . 151 LYS CE . 25346 1 198 . 1 1 30 30 LYS N N 15 121.5 0.3 . 1 . . . . 151 LYS N . 25346 1 199 . 1 1 31 31 ASP H H 1 8.39 0.02 . 1 . . . . 152 ASP H . 25346 1 200 . 1 1 31 31 ASP HA H 1 4.53 0.02 . 1 . . . . 152 ASP HA . 25346 1 201 . 1 1 31 31 ASP HB2 H 1 2.64 0.02 . 2 . . . . 152 ASP HB2 . 25346 1 202 . 1 1 31 31 ASP HB3 H 1 2.46 0.02 . 2 . . . . 152 ASP HB3 . 25346 1 203 . 1 1 31 31 ASP C C 13 175.0 0.3 . 1 . . . . 152 ASP C . 25346 1 204 . 1 1 31 31 ASP CA C 13 52.7 0.3 . 1 . . . . 152 ASP CA . 25346 1 205 . 1 1 31 31 ASP CB C 13 41.1 0.3 . 1 . . . . 152 ASP CB . 25346 1 206 . 1 1 31 31 ASP N N 15 123.1 0.3 . 1 . . . . 152 ASP N . 25346 1 207 . 1 1 32 32 PRO HA H 1 4.27 0.02 . 1 . . . . 153 PRO HA . 25346 1 208 . 1 1 32 32 PRO CA C 13 64.1 0.3 . 1 . . . . 153 PRO CA . 25346 1 209 . 1 1 32 32 PRO CB C 13 32.3 0.3 . 1 . . . . 153 PRO CB . 25346 1 210 . 1 1 32 32 PRO CG C 13 27.1 0.3 . 1 . . . . 153 PRO CG . 25346 1 211 . 1 1 32 32 PRO CD C 13 51.0 0.3 . 1 . . . . 153 PRO CD . 25346 1 212 . 1 1 33 33 ASP H H 1 8.37 0.02 . 1 . . . . 154 ASP H . 25346 1 213 . 1 1 33 33 ASP HA H 1 4.51 0.02 . 1 . . . . 154 ASP HA . 25346 1 214 . 1 1 33 33 ASP C C 13 176.5 0.3 . 1 . . . . 154 ASP C . 25346 1 215 . 1 1 33 33 ASP CA C 13 55.1 0.3 . 1 . . . . 154 ASP CA . 25346 1 216 . 1 1 33 33 ASP CB C 13 41.1 0.3 . 1 . . . . 154 ASP CB . 25346 1 217 . 1 1 33 33 ASP N N 15 118.8 0.3 . 1 . . . . 154 ASP N . 25346 1 218 . 1 1 34 34 GLU H H 1 7.98 0.02 . 1 . . . . 155 GLU H . 25346 1 219 . 1 1 34 34 GLU HA H 1 4.22 0.02 . 1 . . . . 155 GLU HA . 25346 1 220 . 1 1 34 34 GLU C C 13 176.0 0.3 . 1 . . . . 155 GLU C . 25346 1 221 . 1 1 34 34 GLU CA C 13 56.5 0.3 . 1 . . . . 155 GLU CA . 25346 1 222 . 1 1 34 34 GLU CB C 13 30.8 0.3 . 1 . . . . 155 GLU CB . 25346 1 223 . 1 1 34 34 GLU CG C 13 36.4 0.3 . 1 . . . . 155 GLU CG . 25346 1 224 . 1 1 34 34 GLU N N 15 120.2 0.3 . 1 . . . . 155 GLU N . 25346 1 225 . 1 1 35 35 LEU H H 1 7.99 0.02 . 1 . . . . 156 LEU H . 25346 1 226 . 1 1 35 35 LEU HA H 1 4.19 0.02 . 1 . . . . 156 LEU HA . 25346 1 227 . 1 1 35 35 LEU C C 13 176.1 0.3 . 1 . . . . 156 LEU C . 25346 1 228 . 1 1 35 35 LEU CA C 13 55.8 0.3 . 1 . . . . 156 LEU CA . 25346 1 229 . 1 1 35 35 LEU CB C 13 42.1 0.3 . 1 . . . . 156 LEU CB . 25346 1 230 . 1 1 35 35 LEU CG C 13 27.2 0.3 . 1 . . . . 156 LEU CG . 25346 1 231 . 1 1 35 35 LEU CD1 C 13 23.4 0.3 . 1 . . . . 156 LEU CD1 . 25346 1 232 . 1 1 35 35 LEU CD2 C 13 24.3 0.3 . 1 . . . . 156 LEU CD2 . 25346 1 233 . 1 1 35 35 LEU N N 15 123.9 0.3 . 1 . . . . 156 LEU N . 25346 1 234 . 1 1 36 36 ARG H H 1 8.03 0.02 . 1 . . . . 157 ARG H . 25346 1 235 . 1 1 36 36 ARG HA H 1 4.84 0.02 . 1 . . . . 157 ARG HA . 25346 1 236 . 1 1 36 36 ARG CA C 13 54.8 0.3 . 1 . . . . 157 ARG CA . 25346 1 237 . 1 1 36 36 ARG CB C 13 33.0 0.3 . 1 . . . . 157 ARG CB . 25346 1 238 . 1 1 36 36 ARG CG C 13 27.3 0.3 . 1 . . . . 157 ARG CG . 25346 1 239 . 1 1 36 36 ARG CD C 13 43.6 0.3 . 1 . . . . 157 ARG CD . 25346 1 240 . 1 1 36 36 ARG N N 15 122.6 0.3 . 1 . . . . 157 ARG N . 25346 1 241 . 1 1 37 37 SER H H 1 8.67 0.02 . 1 . . . . 158 SER H . 25346 1 242 . 1 1 37 37 SER HA H 1 3.80 0.02 . 1 . . . . 158 SER HA . 25346 1 243 . 1 1 37 37 SER HB2 H 1 3.97 0.02 . 2 . . . . 158 SER HB2 . 25346 1 244 . 1 1 37 37 SER HB3 H 1 3.33 0.02 . 2 . . . . 158 SER HB3 . 25346 1 245 . 1 1 37 37 SER CA C 13 58.6 0.3 . 1 . . . . 158 SER CA . 25346 1 246 . 1 1 37 37 SER CB C 13 63.6 0.3 . 1 . . . . 158 SER CB . 25346 1 247 . 1 1 37 37 SER N N 15 117.0 0.3 . 1 . . . . 158 SER N . 25346 1 248 . 1 1 38 38 LYS H H 1 8.61 0.02 . 1 . . . . 159 LYS H . 25346 1 249 . 1 1 38 38 LYS HA H 1 3.98 0.02 . 1 . . . . 159 LYS HA . 25346 1 250 . 1 1 38 38 LYS C C 13 177.2 0.3 . 1 . . . . 159 LYS C . 25346 1 251 . 1 1 38 38 LYS CA C 13 58.2 0.3 . 1 . . . . 159 LYS CA . 25346 1 252 . 1 1 38 38 LYS CB C 13 32.7 0.3 . 1 . . . . 159 LYS CB . 25346 1 253 . 1 1 38 38 LYS CG C 13 25.2 0.3 . 1 . . . . 159 LYS CG . 25346 1 254 . 1 1 38 38 LYS CD C 13 29.1 0.3 . 1 . . . . 159 LYS CD . 25346 1 255 . 1 1 38 38 LYS CE C 13 42.4 0.3 . 1 . . . . 159 LYS CE . 25346 1 256 . 1 1 38 38 LYS N N 15 123.8 0.3 . 1 . . . . 159 LYS N . 25346 1 257 . 1 1 39 39 VAL H H 1 8.43 0.02 . 1 . . . . 160 VAL H . 25346 1 258 . 1 1 39 39 VAL HA H 1 4.27 0.02 . 1 . . . . 160 VAL HA . 25346 1 259 . 1 1 39 39 VAL HB H 1 1.91 0.02 . 1 . . . . 160 VAL HB . 25346 1 260 . 1 1 39 39 VAL C C 13 174.7 0.3 . 1 . . . . 160 VAL C . 25346 1 261 . 1 1 39 39 VAL CA C 13 59.3 0.3 . 1 . . . . 160 VAL CA . 25346 1 262 . 1 1 39 39 VAL CG1 C 13 21.2 0.3 . 1 . . . . 160 VAL CG1 . 25346 1 263 . 1 1 39 39 VAL N N 15 121.0 0.3 . 1 . . . . 160 VAL N . 25346 1 264 . 1 1 40 40 PRO HA H 1 4.20 0.02 . 1 . . . . 161 PRO HA . 25346 1 265 . 1 1 40 40 PRO CA C 13 63.9 0.3 . 1 . . . . 161 PRO CA . 25346 1 266 . 1 1 40 40 PRO CB C 13 31.7 0.3 . 1 . . . . 161 PRO CB . 25346 1 267 . 1 1 40 40 PRO CG C 13 27.4 0.3 . 1 . . . . 161 PRO CG . 25346 1 268 . 1 1 40 40 PRO CD C 13 51.2 0.3 . 1 . . . . 161 PRO CD . 25346 1 269 . 1 1 41 41 GLY H H 1 7.98 0.02 . 1 . . . . 162 GLY H . 25346 1 270 . 1 1 41 41 GLY HA2 H 1 3.94 0.02 . 2 . . . . 162 GLY HA2 . 25346 1 271 . 1 1 41 41 GLY HA3 H 1 3.61 0.02 . 2 . . . . 162 GLY HA3 . 25346 1 272 . 1 1 41 41 GLY C C 13 173.3 0.3 . 1 . . . . 162 GLY C . 25346 1 273 . 1 1 41 41 GLY CA C 13 45.5 0.3 . 1 . . . . 162 GLY CA . 25346 1 274 . 1 1 41 41 GLY N N 15 109.9 0.3 . 1 . . . . 162 GLY N . 25346 1 275 . 1 1 42 42 GLU H H 1 7.72 0.02 . 1 . . . . 163 GLU H . 25346 1 276 . 1 1 42 42 GLU HA H 1 4.39 0.02 . 1 . . . . 163 GLU HA . 25346 1 277 . 1 1 42 42 GLU C C 13 174.7 0.3 . 1 . . . . 163 GLU C . 25346 1 278 . 1 1 42 42 GLU CA C 13 55.5 0.3 . 1 . . . . 163 GLU CA . 25346 1 279 . 1 1 42 42 GLU CB C 13 31.1 0.3 . 1 . . . . 163 GLU CB . 25346 1 280 . 1 1 42 42 GLU CG C 13 36.2 0.3 . 1 . . . . 163 GLU CG . 25346 1 281 . 1 1 42 42 GLU N N 15 120.5 0.3 . 1 . . . . 163 GLU N . 25346 1 282 . 1 1 43 43 VAL H H 1 8.23 0.02 . 1 . . . . 164 VAL H . 25346 1 283 . 1 1 43 43 VAL HA H 1 4.36 0.02 . 1 . . . . 164 VAL HA . 25346 1 284 . 1 1 43 43 VAL HB H 1 1.79 0.02 . 1 . . . . 164 VAL HB . 25346 1 285 . 1 1 43 43 VAL CA C 13 62.3 0.3 . 1 . . . . 164 VAL CA . 25346 1 286 . 1 1 43 43 VAL CB C 13 32.7 0.3 . 1 . . . . 164 VAL CB . 25346 1 287 . 1 1 43 43 VAL CG1 C 13 21.6 0.3 . 1 . . . . 164 VAL CG1 . 25346 1 288 . 1 1 43 43 VAL CG2 C 13 21.5 0.3 . 1 . . . . 164 VAL CG2 . 25346 1 289 . 1 1 43 43 VAL N N 15 123.7 0.3 . 1 . . . . 164 VAL N . 25346 1 290 . 1 1 44 44 THR H H 1 8.93 0.02 . 1 . . . . 165 THR H . 25346 1 291 . 1 1 44 44 THR HA H 1 4.67 0.02 . 1 . . . . 165 THR HA . 25346 1 292 . 1 1 44 44 THR HB H 1 4.36 0.02 . 1 . . . . 165 THR HB . 25346 1 293 . 1 1 44 44 THR C C 13 175.3 0.3 . 1 . . . . 165 THR C . 25346 1 294 . 1 1 44 44 THR CA C 13 60.3 0.3 . 1 . . . . 165 THR CA . 25346 1 295 . 1 1 44 44 THR CB C 13 72.1 0.3 . 1 . . . . 165 THR CB . 25346 1 296 . 1 1 44 44 THR CG2 C 13 21.4 0.3 . 1 . . . . 165 THR CG2 . 25346 1 297 . 1 1 44 44 THR N N 15 119.2 0.3 . 1 . . . . 165 THR N . 25346 1 298 . 1 1 45 45 ALA H H 1 8.58 0.02 . 1 . . . . 166 ALA H . 25346 1 299 . 1 1 45 45 ALA HA H 1 3.89 0.02 . 1 . . . . 166 ALA HA . 25346 1 300 . 1 1 45 45 ALA HB1 H 1 1.31 0.02 . 1 . . . . 166 ALA HB . 25346 1 301 . 1 1 45 45 ALA HB2 H 1 1.31 0.02 . 1 . . . . 166 ALA HB . 25346 1 302 . 1 1 45 45 ALA HB3 H 1 1.31 0.02 . 1 . . . . 166 ALA HB . 25346 1 303 . 1 1 45 45 ALA C C 13 179.8 0.3 . 1 . . . . 166 ALA C . 25346 1 304 . 1 1 45 45 ALA CA C 13 55.1 0.3 . 1 . . . . 166 ALA CA . 25346 1 305 . 1 1 45 45 ALA CB C 13 18.3 0.3 . 1 . . . . 166 ALA CB . 25346 1 306 . 1 1 45 45 ALA N N 15 123.7 0.3 . 1 . . . . 166 ALA N . 25346 1 307 . 1 1 46 46 SER H H 1 8.06 0.02 . 1 . . . . 167 SER H . 25346 1 308 . 1 1 46 46 SER HA H 1 4.11 0.02 . 1 . . . . 167 SER HA . 25346 1 309 . 1 1 46 46 SER CA C 13 60.8 0.3 . 1 . . . . 167 SER CA . 25346 1 310 . 1 1 46 46 SER CB C 13 62.8 0.3 . 1 . . . . 167 SER CB . 25346 1 311 . 1 1 46 46 SER N N 15 111.8 0.3 . 1 . . . . 167 SER N . 25346 1 312 . 1 1 47 47 ASP H H 1 7.70 0.02 . 1 . . . . 168 ASP H . 25346 1 313 . 1 1 47 47 ASP HA H 1 4.26 0.02 . 1 . . . . 168 ASP HA . 25346 1 314 . 1 1 47 47 ASP HB2 H 1 1.95 0.02 . 2 . . . . 168 ASP HB2 . 25346 1 315 . 1 1 47 47 ASP HB3 H 1 2.37 0.02 . 2 . . . . 168 ASP HB3 . 25346 1 316 . 1 1 47 47 ASP C C 13 176.8 0.3 . 1 . . . . 168 ASP C . 25346 1 317 . 1 1 47 47 ASP CA C 13 56.8 0.3 . 1 . . . . 168 ASP CA . 25346 1 318 . 1 1 47 47 ASP CB C 13 41.1 0.3 . 1 . . . . 168 ASP CB . 25346 1 319 . 1 1 47 47 ASP N N 15 121.8 0.3 . 1 . . . . 168 ASP N . 25346 1 320 . 1 1 48 48 TRP H H 1 7.03 0.02 . 1 . . . . 169 TRP H . 25346 1 321 . 1 1 48 48 TRP HA H 1 4.19 0.02 . 1 . . . . 169 TRP HA . 25346 1 322 . 1 1 48 48 TRP HB2 H 1 3.19 0.02 . 2 . . . . 169 TRP HB2 . 25346 1 323 . 1 1 48 48 TRP HB3 H 1 3.23 0.02 . 2 . . . . 169 TRP HB3 . 25346 1 324 . 1 1 48 48 TRP C C 13 178.8 0.3 . 1 . . . . 169 TRP C . 25346 1 325 . 1 1 48 48 TRP CA C 13 59.4 0.3 . 1 . . . . 169 TRP CA . 25346 1 326 . 1 1 48 48 TRP CB C 13 29.5 0.3 . 1 . . . . 169 TRP CB . 25346 1 327 . 1 1 48 48 TRP N N 15 117.2 0.3 . 1 . . . . 169 TRP N . 25346 1 328 . 1 1 49 49 GLU H H 1 8.30 0.02 . 1 . . . . 170 GLU H . 25346 1 329 . 1 1 49 49 GLU HA H 1 3.86 0.02 . 1 . . . . 170 GLU HA . 25346 1 330 . 1 1 49 49 GLU C C 13 178.8 0.3 . 1 . . . . 170 GLU C . 25346 1 331 . 1 1 49 49 GLU CA C 13 59.6 0.3 . 1 . . . . 170 GLU CA . 25346 1 332 . 1 1 49 49 GLU CB C 13 29.6 0.3 . 1 . . . . 170 GLU CB . 25346 1 333 . 1 1 49 49 GLU CG C 13 36.2 0.3 . 1 . . . . 170 GLU CG . 25346 1 334 . 1 1 49 49 GLU N N 15 118.1 0.3 . 1 . . . . 170 GLU N . 25346 1 335 . 1 1 50 50 ALA H H 1 7.36 0.02 . 1 . . . . 171 ALA H . 25346 1 336 . 1 1 50 50 ALA HA H 1 4.05 0.02 . 1 . . . . 171 ALA HA . 25346 1 337 . 1 1 50 50 ALA HB1 H 1 1.33 0.02 . 1 . . . . 171 ALA HB . 25346 1 338 . 1 1 50 50 ALA HB2 H 1 1.33 0.02 . 1 . . . . 171 ALA HB . 25346 1 339 . 1 1 50 50 ALA HB3 H 1 1.33 0.02 . 1 . . . . 171 ALA HB . 25346 1 340 . 1 1 50 50 ALA C C 13 178.0 0.3 . 1 . . . . 171 ALA C . 25346 1 341 . 1 1 50 50 ALA CA C 13 53.8 0.3 . 1 . . . . 171 ALA CA . 25346 1 342 . 1 1 50 50 ALA CB C 13 18.8 0.3 . 1 . . . . 171 ALA CB . 25346 1 343 . 1 1 50 50 ALA N N 15 118.2 0.3 . 1 . . . . 171 ALA N . 25346 1 344 . 1 1 51 51 LEU H H 1 7.73 0.02 . 1 . . . . 172 LEU H . 25346 1 345 . 1 1 51 51 LEU HA H 1 4.16 0.02 . 1 . . . . 172 LEU HA . 25346 1 346 . 1 1 51 51 LEU C C 13 177.0 0.3 . 1 . . . . 172 LEU C . 25346 1 347 . 1 1 51 51 LEU CA C 13 54.4 0.3 . 1 . . . . 172 LEU CA . 25346 1 348 . 1 1 51 51 LEU CB C 13 42.4 0.3 . 1 . . . . 172 LEU CB . 25346 1 349 . 1 1 51 51 LEU CG C 13 25.5 0.3 . 1 . . . . 172 LEU CG . 25346 1 350 . 1 1 51 51 LEU CD1 C 13 20.7 0.3 . 1 . . . . 172 LEU CD1 . 25346 1 351 . 1 1 51 51 LEU N N 15 115.4 0.3 . 1 . . . . 172 LEU N . 25346 1 352 . 1 1 52 52 VAL H H 1 6.93 0.02 . 1 . . . . 173 VAL H . 25346 1 353 . 1 1 52 52 VAL HB H 1 1.61 0.02 . 1 . . . . 173 VAL HB . 25346 1 354 . 1 1 52 52 VAL C C 13 177.4 0.3 . 1 . . . . 173 VAL C . 25346 1 355 . 1 1 52 52 VAL CA C 13 65.5 0.3 . 1 . . . . 173 VAL CA . 25346 1 356 . 1 1 52 52 VAL CB C 13 30.5 0.3 . 1 . . . . 173 VAL CB . 25346 1 357 . 1 1 52 52 VAL CG1 C 13 22.5 0.3 . 1 . . . . 173 VAL CG1 . 25346 1 358 . 1 1 52 52 VAL CG2 C 13 19.9 0.3 . 1 . . . . 173 VAL CG2 . 25346 1 359 . 1 1 52 52 VAL N N 15 118.8 0.3 . 1 . . . . 173 VAL N . 25346 1 360 . 1 1 53 53 GLY H H 1 7.83 0.02 . 1 . . . . 174 GLY H . 25346 1 361 . 1 1 53 53 GLY HA2 H 1 4.01 0.02 . 2 . . . . 174 GLY HA2 . 25346 1 362 . 1 1 53 53 GLY HA3 H 1 2.67 0.02 . 2 . . . . 174 GLY HA3 . 25346 1 363 . 1 1 53 53 GLY CA C 13 45.2 0.3 . 1 . . . . 174 GLY CA . 25346 1 364 . 1 1 54 54 ASP H H 1 7.84 0.02 . 1 . . . . 175 ASP H . 25346 1 365 . 1 1 54 54 ASP HA H 1 4.82 0.02 . 1 . . . . 175 ASP HA . 25346 1 366 . 1 1 54 54 ASP HB2 H 1 2.41 0.02 . 2 . . . . 175 ASP HB2 . 25346 1 367 . 1 1 54 54 ASP HB3 H 1 3.69 0.02 . 2 . . . . 175 ASP HB3 . 25346 1 368 . 1 1 54 54 ASP C C 13 177.5 0.3 . 1 . . . . 175 ASP C . 25346 1 369 . 1 1 54 54 ASP CA C 13 53.4 0.3 . 1 . . . . 175 ASP CA . 25346 1 370 . 1 1 54 54 ASP CB C 13 41.4 0.3 . 1 . . . . 175 ASP CB . 25346 1 371 . 1 1 54 54 ASP N N 15 122.0 0.3 . 1 . . . . 175 ASP N . 25346 1 372 . 1 1 55 55 THR H H 1 8.47 0.02 . 1 . . . . 176 THR H . 25346 1 373 . 1 1 55 55 THR HA H 1 4.88 0.02 . 1 . . . . 176 THR HA . 25346 1 374 . 1 1 55 55 THR HB H 1 4.74 0.02 . 1 . . . . 176 THR HB . 25346 1 375 . 1 1 55 55 THR C C 13 175.8 0.3 . 1 . . . . 176 THR C . 25346 1 376 . 1 1 55 55 THR CA C 13 63.6 0.3 . 1 . . . . 176 THR CA . 25346 1 377 . 1 1 55 55 THR CB C 13 68.6 0.3 . 1 . . . . 176 THR CB . 25346 1 378 . 1 1 55 55 THR CG2 C 13 22.4 0.3 . 1 . . . . 176 THR CG2 . 25346 1 379 . 1 1 55 55 THR N N 15 117.6 0.3 . 1 . . . . 176 THR N . 25346 1 380 . 1 1 56 56 ARG H H 1 8.49 0.02 . 1 . . . . 177 ARG H . 25346 1 381 . 1 1 56 56 ARG HA H 1 4.03 0.02 . 1 . . . . 177 ARG HA . 25346 1 382 . 1 1 56 56 ARG HB2 H 1 1.26 0.02 . 2 . . . . 177 ARG HB2 . 25346 1 383 . 1 1 56 56 ARG HB3 H 1 1.06 0.02 . 2 . . . . 177 ARG HB3 . 25346 1 384 . 1 1 56 56 ARG C C 13 178.2 0.3 . 1 . . . . 177 ARG C . 25346 1 385 . 1 1 56 56 ARG CA C 13 59.1 0.3 . 1 . . . . 177 ARG CA . 25346 1 386 . 1 1 56 56 ARG CB C 13 30.2 0.3 . 1 . . . . 177 ARG CB . 25346 1 387 . 1 1 56 56 ARG CG C 13 26.7 0.3 . 1 . . . . 177 ARG CG . 25346 1 388 . 1 1 56 56 ARG CD C 13 43.8 0.3 . 1 . . . . 177 ARG CD . 25346 1 389 . 1 1 56 56 ARG N N 15 120.9 0.3 . 1 . . . . 177 ARG N . 25346 1 390 . 1 1 57 57 TYR H H 1 8.14 0.02 . 1 . . . . 178 TYR H . 25346 1 391 . 1 1 57 57 TYR HA H 1 4.78 0.02 . 1 . . . . 178 TYR HA . 25346 1 392 . 1 1 57 57 TYR HB2 H 1 2.87 0.02 . 2 . . . . 178 TYR HB2 . 25346 1 393 . 1 1 57 57 TYR HB3 H 1 3.51 0.02 . 2 . . . . 178 TYR HB3 . 25346 1 394 . 1 1 57 57 TYR C C 13 175.7 0.3 . 1 . . . . 178 TYR C . 25346 1 395 . 1 1 57 57 TYR CA C 13 59.4 0.3 . 1 . . . . 178 TYR CA . 25346 1 396 . 1 1 57 57 TYR CB C 13 41.0 0.3 . 1 . . . . 178 TYR CB . 25346 1 397 . 1 1 57 57 TYR N N 15 112.7 0.3 . 1 . . . . 178 TYR N . 25346 1 398 . 1 1 58 58 GLY H H 1 7.61 0.02 . 1 . . . . 179 GLY H . 25346 1 399 . 1 1 58 58 GLY HA2 H 1 3.81 0.02 . 2 . . . . 179 GLY HA2 . 25346 1 400 . 1 1 58 58 GLY HA3 H 1 3.26 0.02 . 2 . . . . 179 GLY HA3 . 25346 1 401 . 1 1 58 58 GLY C C 13 169.0 0.3 . 1 . . . . 179 GLY C . 25346 1 402 . 1 1 58 58 GLY CA C 13 47.2 0.3 . 1 . . . . 179 GLY CA . 25346 1 403 . 1 1 58 58 GLY N N 15 108.2 0.3 . 1 . . . . 179 GLY N . 25346 1 404 . 1 1 59 59 TYR H H 1 6.83 0.02 . 1 . . . . 180 TYR H . 25346 1 405 . 1 1 59 59 TYR HA H 1 4.08 0.02 . 1 . . . . 180 TYR HA . 25346 1 406 . 1 1 59 59 TYR C C 13 172.6 0.3 . 1 . . . . 180 TYR C . 25346 1 407 . 1 1 59 59 TYR CA C 13 55.9 0.3 . 1 . . . . 180 TYR CA . 25346 1 408 . 1 1 59 59 TYR CB C 13 39.4 0.3 . 1 . . . . 180 TYR CB . 25346 1 409 . 1 1 59 59 TYR N N 15 113.4 0.3 . 1 . . . . 180 TYR N . 25346 1 410 . 1 1 60 60 PHE H H 1 8.58 0.02 . 1 . . . . 181 PHE H . 25346 1 411 . 1 1 60 60 PHE HA H 1 4.86 0.02 . 1 . . . . 181 PHE HA . 25346 1 412 . 1 1 60 60 PHE C C 13 176.7 0.3 . 1 . . . . 181 PHE C . 25346 1 413 . 1 1 60 60 PHE CA C 13 58.5 0.3 . 1 . . . . 181 PHE CA . 25346 1 414 . 1 1 60 60 PHE CB C 13 40.4 0.3 . 1 . . . . 181 PHE CB . 25346 1 415 . 1 1 60 60 PHE N N 15 118.0 0.3 . 1 . . . . 181 PHE N . 25346 1 416 . 1 1 61 61 ASP H H 1 8.66 0.02 . 1 . . . . 182 ASP H . 25346 1 417 . 1 1 61 61 ASP HA H 1 4.65 0.02 . 1 . . . . 182 ASP HA . 25346 1 418 . 1 1 61 61 ASP HB2 H 1 2.54 0.02 . 2 . . . . 182 ASP HB2 . 25346 1 419 . 1 1 61 61 ASP HB3 H 1 3.29 0.02 . 2 . . . . 182 ASP HB3 . 25346 1 420 . 1 1 61 61 ASP C C 13 178.1 0.3 . 1 . . . . 182 ASP C . 25346 1 421 . 1 1 61 61 ASP CA C 13 52.5 0.3 . 1 . . . . 182 ASP CA . 25346 1 422 . 1 1 61 61 ASP CB C 13 41.4 0.3 . 1 . . . . 182 ASP CB . 25346 1 423 . 1 1 61 61 ASP N N 15 124.4 0.3 . 1 . . . . 182 ASP N . 25346 1 424 . 1 1 62 62 GLU H H 1 9.06 0.02 . 1 . . . . 183 GLU H . 25346 1 425 . 1 1 62 62 GLU HA H 1 4.08 0.02 . 1 . . . . 183 GLU HA . 25346 1 426 . 1 1 62 62 GLU C C 13 177.7 0.3 . 1 . . . . 183 GLU C . 25346 1 427 . 1 1 62 62 GLU CA C 13 59.4 0.3 . 1 . . . . 183 GLU CA . 25346 1 428 . 1 1 62 62 GLU CB C 13 29.1 0.3 . 1 . . . . 183 GLU CB . 25346 1 429 . 1 1 62 62 GLU CG C 13 36.4 0.3 . 1 . . . . 183 GLU CG . 25346 1 430 . 1 1 62 62 GLU N N 15 117.9 0.3 . 1 . . . . 183 GLU N . 25346 1 431 . 1 1 63 63 THR H H 1 8.27 0.02 . 1 . . . . 184 THR H . 25346 1 432 . 1 1 63 63 THR HA H 1 4.35 0.02 . 1 . . . . 184 THR HA . 25346 1 433 . 1 1 63 63 THR HB H 1 4.35 0.02 . 1 . . . . 184 THR HB . 25346 1 434 . 1 1 63 63 THR C C 13 175.3 0.3 . 1 . . . . 184 THR C . 25346 1 435 . 1 1 63 63 THR CA C 13 62.1 0.3 . 1 . . . . 184 THR CA . 25346 1 436 . 1 1 63 63 THR CB C 13 69.7 0.3 . 1 . . . . 184 THR CB . 25346 1 437 . 1 1 63 63 THR CG2 C 13 22.3 0.3 . 1 . . . . 184 THR CG2 . 25346 1 438 . 1 1 63 63 THR N N 15 110.8 0.3 . 1 . . . . 184 THR N . 25346 1 439 . 1 1 64 64 GLY H H 1 8.14 0.02 . 1 . . . . 185 GLY H . 25346 1 440 . 1 1 64 64 GLY HA2 H 1 4.27 0.02 . 2 . . . . 185 GLY HA2 . 25346 1 441 . 1 1 64 64 GLY HA3 H 1 3.52 0.02 . 2 . . . . 185 GLY HA3 . 25346 1 442 . 1 1 64 64 GLY C C 13 173.7 0.3 . 1 . . . . 185 GLY C . 25346 1 443 . 1 1 64 64 GLY CA C 13 45.1 0.3 . 1 . . . . 185 GLY CA . 25346 1 444 . 1 1 64 64 GLY N N 15 110.1 0.3 . 1 . . . . 185 GLY N . 25346 1 445 . 1 1 65 65 ASP H H 1 7.98 0.02 . 1 . . . . 186 ASP H . 25346 1 446 . 1 1 65 65 ASP HA H 1 4.83 0.02 . 1 . . . . 186 ASP HA . 25346 1 447 . 1 1 65 65 ASP C C 13 175.5 0.3 . 1 . . . . 186 ASP C . 25346 1 448 . 1 1 65 65 ASP CA C 13 53.9 0.3 . 1 . . . . 186 ASP CA . 25346 1 449 . 1 1 65 65 ASP CB C 13 41.8 0.3 . 1 . . . . 186 ASP CB . 25346 1 450 . 1 1 65 65 ASP N N 15 122.0 0.3 . 1 . . . . 186 ASP N . 25346 1 451 . 1 1 66 66 TRP H H 1 8.68 0.02 . 1 . . . . 187 TRP H . 25346 1 452 . 1 1 66 66 TRP HA H 1 4.14 0.02 . 1 . . . . 187 TRP HA . 25346 1 453 . 1 1 66 66 TRP HB2 H 1 2.64 0.02 . 2 . . . . 187 TRP HB2 . 25346 1 454 . 1 1 66 66 TRP HB3 H 1 2.57 0.02 . 2 . . . . 187 TRP HB3 . 25346 1 455 . 1 1 66 66 TRP HE3 H 1 7.29 0.02 . 1 . . . . 187 TRP HE3 . 25346 1 456 . 1 1 66 66 TRP C C 13 174.7 0.3 . 1 . . . . 187 TRP C . 25346 1 457 . 1 1 66 66 TRP CA C 13 57.1 0.3 . 1 . . . . 187 TRP CA . 25346 1 458 . 1 1 66 66 TRP CB C 13 29.5 0.3 . 1 . . . . 187 TRP CB . 25346 1 459 . 1 1 66 66 TRP N N 15 124.4 0.3 . 1 . . . . 187 TRP N . 25346 1 460 . 1 1 67 67 SER H H 1 7.82 0.02 . 1 . . . . 188 SER H . 25346 1 461 . 1 1 67 67 SER HA H 1 4.11 0.02 . 1 . . . . 188 SER HA . 25346 1 462 . 1 1 67 67 SER HB2 H 1 2.92 0.02 . 2 . . . . 188 SER HB2 . 25346 1 463 . 1 1 67 67 SER HB3 H 1 2.38 0.02 . 2 . . . . 188 SER HB3 . 25346 1 464 . 1 1 67 67 SER C C 13 171.6 0.3 . 1 . . . . 188 SER C . 25346 1 465 . 1 1 67 67 SER CA C 13 56.6 0.3 . 1 . . . . 188 SER CA . 25346 1 466 . 1 1 67 67 SER CB C 13 64.9 0.3 . 1 . . . . 188 SER CB . 25346 1 467 . 1 1 67 67 SER N N 15 125.1 0.3 . 1 . . . . 188 SER N . 25346 1 468 . 1 1 68 68 TRP H H 1 8.13 0.02 . 1 . . . . 189 TRP H . 25346 1 469 . 1 1 68 68 TRP HA H 1 4.88 0.02 . 1 . . . . 189 TRP HA . 25346 1 470 . 1 1 68 68 TRP HB2 H 1 3.30 0.02 . 2 . . . . 189 TRP HB2 . 25346 1 471 . 1 1 68 68 TRP HB3 H 1 4.02 0.02 . 2 . . . . 189 TRP HB3 . 25346 1 472 . 1 1 68 68 TRP C C 13 178.3 0.3 . 1 . . . . 189 TRP C . 25346 1 473 . 1 1 68 68 TRP CA C 13 57.1 0.3 . 1 . . . . 189 TRP CA . 25346 1 474 . 1 1 68 68 TRP CB C 13 33.1 0.3 . 1 . . . . 189 TRP CB . 25346 1 475 . 1 1 68 68 TRP N N 15 120.7 0.3 . 1 . . . . 189 TRP N . 25346 1 476 . 1 1 69 69 LYS H H 1 9.34 0.02 . 1 . . . . 190 LYS H . 25346 1 477 . 1 1 69 69 LYS HA H 1 4.75 0.02 . 1 . . . . 190 LYS HA . 25346 1 478 . 1 1 69 69 LYS C C 13 175.8 0.3 . 1 . . . . 190 LYS C . 25346 1 479 . 1 1 69 69 LYS CA C 13 56.7 0.3 . 1 . . . . 190 LYS CA . 25346 1 480 . 1 1 69 69 LYS CB C 13 33.5 0.3 . 1 . . . . 190 LYS CB . 25346 1 481 . 1 1 69 69 LYS CG C 13 26.9 0.3 . 1 . . . . 190 LYS CG . 25346 1 482 . 1 1 69 69 LYS CD C 13 30.0 0.3 . 1 . . . . 190 LYS CD . 25346 1 483 . 1 1 69 69 LYS CE C 13 42.1 0.3 . 1 . . . . 190 LYS CE . 25346 1 484 . 1 1 69 69 LYS N N 15 120.2 0.3 . 1 . . . . 190 LYS N . 25346 1 485 . 1 1 70 70 GLY H H 1 7.64 0.02 . 1 . . . . 191 GLY H . 25346 1 486 . 1 1 70 70 GLY HA2 H 1 3.71 0.02 . 2 . . . . 191 GLY HA2 . 25346 1 487 . 1 1 70 70 GLY HA3 H 1 3.38 0.02 . 2 . . . . 191 GLY HA3 . 25346 1 488 . 1 1 70 70 GLY C C 13 169.8 0.3 . 1 . . . . 191 GLY C . 25346 1 489 . 1 1 70 70 GLY CA C 13 46.1 0.3 . 1 . . . . 191 GLY CA . 25346 1 490 . 1 1 70 70 GLY N N 15 109.9 0.3 . 1 . . . . 191 GLY N . 25346 1 491 . 1 1 71 71 TYR H H 1 7.15 0.02 . 1 . . . . 192 TYR H . 25346 1 492 . 1 1 71 71 TYR HA H 1 3.95 0.02 . 1 . . . . 192 TYR HA . 25346 1 493 . 1 1 71 71 TYR C C 13 171.5 0.3 . 1 . . . . 192 TYR C . 25346 1 494 . 1 1 71 71 TYR CA C 13 55.3 0.3 . 1 . . . . 192 TYR CA . 25346 1 495 . 1 1 71 71 TYR CB C 13 39.2 0.3 . 1 . . . . 192 TYR CB . 25346 1 496 . 1 1 71 71 TYR N N 15 115.1 0.3 . 1 . . . . 192 TYR N . 25346 1 497 . 1 1 72 72 PHE H H 1 6.58 0.02 . 1 . . . . 193 PHE H . 25346 1 498 . 1 1 72 72 PHE HA H 1 4.57 0.02 . 1 . . . . 193 PHE HA . 25346 1 499 . 1 1 72 72 PHE CA C 13 57.7 0.3 . 1 . . . . 193 PHE CA . 25346 1 500 . 1 1 72 72 PHE CB C 13 41.6 0.3 . 1 . . . . 193 PHE CB . 25346 1 501 . 1 1 72 72 PHE N N 15 114.8 0.3 . 1 . . . . 193 PHE N . 25346 1 502 . 1 1 73 73 ASP H H 1 9.03 0.02 . 1 . . . . 194 ASP H . 25346 1 503 . 1 1 73 73 ASP HA H 1 4.52 0.02 . 1 . . . . 194 ASP HA . 25346 1 504 . 1 1 73 73 ASP HB2 H 1 2.51 0.02 . 2 . . . . 194 ASP HB2 . 25346 1 505 . 1 1 73 73 ASP HB3 H 1 3.26 0.02 . 2 . . . . 194 ASP HB3 . 25346 1 506 . 1 1 73 73 ASP C C 13 177.9 0.3 . 1 . . . . 194 ASP C . 25346 1 507 . 1 1 73 73 ASP CA C 13 52.5 0.3 . 1 . . . . 194 ASP CA . 25346 1 508 . 1 1 73 73 ASP CB C 13 40.7 0.3 . 1 . . . . 194 ASP CB . 25346 1 509 . 1 1 73 73 ASP N N 15 125.1 0.3 . 1 . . . . 194 ASP N . 25346 1 510 . 1 1 74 74 GLU H H 1 8.76 0.02 . 1 . . . . 195 GLU H . 25346 1 511 . 1 1 74 74 GLU HA H 1 4.02 0.02 . 1 . . . . 195 GLU HA . 25346 1 512 . 1 1 74 74 GLU C C 13 177.7 0.3 . 1 . . . . 195 GLU C . 25346 1 513 . 1 1 74 74 GLU CA C 13 59.3 0.3 . 1 . . . . 195 GLU CA . 25346 1 514 . 1 1 74 74 GLU CB C 13 29.0 0.3 . 1 . . . . 195 GLU CB . 25346 1 515 . 1 1 74 74 GLU CG C 13 36.5 0.3 . 1 . . . . 195 GLU CG . 25346 1 516 . 1 1 74 74 GLU N N 15 116.4 0.3 . 1 . . . . 195 GLU N . 25346 1 517 . 1 1 75 75 GLN H H 1 8.05 0.02 . 1 . . . . 196 GLN H . 25346 1 518 . 1 1 75 75 GLN HA H 1 4.21 0.02 . 1 . . . . 196 GLN HA . 25346 1 519 . 1 1 75 75 GLN C C 13 176.7 0.3 . 1 . . . . 196 GLN C . 25346 1 520 . 1 1 75 75 GLN CA C 13 55.8 0.3 . 1 . . . . 196 GLN CA . 25346 1 521 . 1 1 75 75 GLN CB C 13 29.3 0.3 . 1 . . . . 196 GLN CB . 25346 1 522 . 1 1 75 75 GLN CG C 13 33.5 0.3 . 1 . . . . 196 GLN CG . 25346 1 523 . 1 1 75 75 GLN N N 15 116.6 0.3 . 1 . . . . 196 GLN N . 25346 1 524 . 1 1 76 76 GLY H H 1 8.29 0.02 . 1 . . . . 197 GLY H . 25346 1 525 . 1 1 76 76 GLY HA2 H 1 3.31 0.02 . 2 . . . . 197 GLY HA2 . 25346 1 526 . 1 1 76 76 GLY HA3 H 1 4.20 0.02 . 2 . . . . 197 GLY HA3 . 25346 1 527 . 1 1 76 76 GLY C C 13 173.2 0.3 . 1 . . . . 197 GLY C . 25346 1 528 . 1 1 76 76 GLY CA C 13 45.5 0.3 . 1 . . . . 197 GLY CA . 25346 1 529 . 1 1 76 76 GLY N N 15 109.7 0.3 . 1 . . . . 197 GLY N . 25346 1 530 . 1 1 77 77 LYS H H 1 8.49 0.02 . 1 . . . . 198 LYS H . 25346 1 531 . 1 1 77 77 LYS HA H 1 4.46 0.02 . 1 . . . . 198 LYS HA . 25346 1 532 . 1 1 77 77 LYS CA C 13 55.2 0.3 . 1 . . . . 198 LYS CA . 25346 1 533 . 1 1 77 77 LYS CB C 13 33.2 0.3 . 1 . . . . 198 LYS CB . 25346 1 534 . 1 1 77 77 LYS CG C 13 24.9 0.3 . 1 . . . . 198 LYS CG . 25346 1 535 . 1 1 77 77 LYS CD C 13 28.9 0.3 . 1 . . . . 198 LYS CD . 25346 1 536 . 1 1 77 77 LYS N N 15 122.4 0.3 . 1 . . . . 198 LYS N . 25346 1 537 . 1 1 78 78 TRP H H 1 8.13 0.02 . 1 . . . . 199 TRP H . 25346 1 538 . 1 1 78 78 TRP HA H 1 3.79 0.02 . 1 . . . . 199 TRP HA . 25346 1 539 . 1 1 78 78 TRP HB2 H 1 2.53 0.02 . 2 . . . . 199 TRP HB2 . 25346 1 540 . 1 1 78 78 TRP HB3 H 1 2.15 0.02 . 2 . . . . 199 TRP HB3 . 25346 1 541 . 1 1 78 78 TRP C C 13 174.5 0.3 . 1 . . . . 199 TRP C . 25346 1 542 . 1 1 78 78 TRP CA C 13 57.5 0.3 . 1 . . . . 199 TRP CA . 25346 1 543 . 1 1 78 78 TRP CB C 13 29.3 0.3 . 1 . . . . 199 TRP CB . 25346 1 544 . 1 1 78 78 TRP N N 15 124.3 0.3 . 1 . . . . 199 TRP N . 25346 1 545 . 1 1 79 79 VAL H H 1 7.86 0.02 . 1 . . . . 200 VAL H . 25346 1 546 . 1 1 79 79 VAL HA H 1 3.46 0.02 . 1 . . . . 200 VAL HA . 25346 1 547 . 1 1 79 79 VAL HB H 1 0.47 0.02 . 1 . . . . 200 VAL HB . 25346 1 548 . 1 1 79 79 VAL C C 13 173.5 0.3 . 1 . . . . 200 VAL C . 25346 1 549 . 1 1 79 79 VAL CA C 13 60.3 0.3 . 1 . . . . 200 VAL CA . 25346 1 550 . 1 1 79 79 VAL CB C 13 33.6 0.3 . 1 . . . . 200 VAL CB . 25346 1 551 . 1 1 79 79 VAL CG1 C 13 20.9 0.3 . 1 . . . . 200 VAL CG1 . 25346 1 552 . 1 1 79 79 VAL CG2 C 13 21.0 0.3 . 1 . . . . 200 VAL CG2 . 25346 1 553 . 1 1 79 79 VAL N N 15 130.7 0.3 . 1 . . . . 200 VAL N . 25346 1 554 . 1 1 80 80 TRP H H 1 7.63 0.02 . 1 . . . . 201 TRP H . 25346 1 555 . 1 1 80 80 TRP HA H 1 4.36 0.02 . 1 . . . . 201 TRP HA . 25346 1 556 . 1 1 80 80 TRP HB2 H 1 3.35 0.02 . 2 . . . . 201 TRP HB2 . 25346 1 557 . 1 1 80 80 TRP HB3 H 1 2.88 0.02 . 2 . . . . 201 TRP HB3 . 25346 1 558 . 1 1 80 80 TRP C C 13 177.2 0.3 . 1 . . . . 201 TRP C . 25346 1 559 . 1 1 80 80 TRP CA C 13 56.8 0.3 . 1 . . . . 201 TRP CA . 25346 1 560 . 1 1 80 80 TRP CB C 13 30.2 0.3 . 1 . . . . 201 TRP CB . 25346 1 561 . 1 1 80 80 TRP N N 15 122.0 0.3 . 1 . . . . 201 TRP N . 25346 1 562 . 1 1 81 81 ASN H H 1 8.70 0.02 . 1 . . . . 202 ASN H . 25346 1 563 . 1 1 81 81 ASN HA H 1 4.56 0.02 . 1 . . . . 202 ASN HA . 25346 1 564 . 1 1 81 81 ASN HB3 H 1 2.64 0.02 . 1 . . . . 202 ASN HB3 . 25346 1 565 . 1 1 81 81 ASN C C 13 175.8 0.3 . 1 . . . . 202 ASN C . 25346 1 566 . 1 1 81 81 ASN CA C 13 53.9 0.3 . 1 . . . . 202 ASN CA . 25346 1 567 . 1 1 81 81 ASN CB C 13 38.6 0.3 . 1 . . . . 202 ASN CB . 25346 1 568 . 1 1 81 81 ASN CG C 13 179.6 0.3 . 1 . . . . 202 ASN CG . 25346 1 569 . 1 1 81 81 ASN N N 15 121.5 0.3 . 1 . . . . 202 ASN N . 25346 1 570 . 1 1 82 82 GLU H H 1 8.48 0.02 . 1 . . . . 203 GLU H . 25346 1 571 . 1 1 82 82 GLU HA H 1 4.58 0.02 . 1 . . . . 203 GLU HA . 25346 1 572 . 1 1 82 82 GLU C C 13 174.3 0.3 . 1 . . . . 203 GLU C . 25346 1 573 . 1 1 82 82 GLU CA C 13 54.2 0.3 . 1 . . . . 203 GLU CA . 25346 1 574 . 1 1 82 82 GLU CB C 13 29.7 0.3 . 1 . . . . 203 GLU CB . 25346 1 575 . 1 1 82 82 GLU CG C 13 36.2 0.3 . 1 . . . . 203 GLU CG . 25346 1 576 . 1 1 82 82 GLU N N 15 121.3 0.3 . 1 . . . . 203 GLU N . 25346 1 577 . 1 1 83 83 PRO HA H 1 4.33 0.02 . 1 . . . . 204 PRO HA . 25346 1 578 . 1 1 83 83 PRO HD3 H 1 3.57 0.02 . 1 . . . . 204 PRO HD3 . 25346 1 579 . 1 1 83 83 PRO CA C 13 63.3 0.3 . 1 . . . . 204 PRO CA . 25346 1 580 . 1 1 83 83 PRO CB C 13 32.1 0.3 . 1 . . . . 204 PRO CB . 25346 1 581 . 1 1 83 83 PRO CG C 13 27.4 0.3 . 1 . . . . 204 PRO CG . 25346 1 582 . 1 1 83 83 PRO CD C 13 50.7 0.3 . 1 . . . . 204 PRO CD . 25346 1 583 . 1 1 84 84 VAL H H 1 8.10 0.02 . 1 . . . . 205 VAL H . 25346 1 584 . 1 1 84 84 VAL HA H 1 3.91 0.02 . 1 . . . . 205 VAL HA . 25346 1 585 . 1 1 84 84 VAL HB H 1 1.79 0.02 . 1 . . . . 205 VAL HB . 25346 1 586 . 1 1 84 84 VAL C C 13 176.1 0.3 . 1 . . . . 205 VAL C . 25346 1 587 . 1 1 84 84 VAL CA C 13 62.7 0.3 . 1 . . . . 205 VAL CA . 25346 1 588 . 1 1 84 84 VAL CB C 13 32.7 0.3 . 1 . . . . 205 VAL CB . 25346 1 589 . 1 1 84 84 VAL CG2 C 13 20.8 0.3 . 1 . . . . 205 VAL CG2 . 25346 1 590 . 1 1 84 84 VAL N N 15 119.6 0.3 . 1 . . . . 205 VAL N . 25346 1 591 . 1 1 85 85 ASP H H 1 8.23 0.02 . 1 . . . . 206 ASP H . 25346 1 592 . 1 1 85 85 ASP HA H 1 4.50 0.02 . 1 . . . . 206 ASP HA . 25346 1 593 . 1 1 85 85 ASP C C 13 176.3 0.3 . 1 . . . . 206 ASP C . 25346 1 594 . 1 1 85 85 ASP CA C 13 54.4 0.3 . 1 . . . . 206 ASP CA . 25346 1 595 . 1 1 85 85 ASP CB C 13 41.2 0.3 . 1 . . . . 206 ASP CB . 25346 1 596 . 1 1 85 85 ASP N N 15 122.5 0.3 . 1 . . . . 206 ASP N . 25346 1 597 . 1 1 86 86 SER H H 1 8.02 0.02 . 1 . . . . 207 SER H . 25346 1 598 . 1 1 86 86 SER HA H 1 4.22 0.02 . 1 . . . . 207 SER HA . 25346 1 599 . 1 1 86 86 SER HB2 H 1 3.81 0.02 . 2 . . . . 207 SER HB2 . 25346 1 600 . 1 1 86 86 SER HB3 H 1 3.70 0.02 . 2 . . . . 207 SER HB3 . 25346 1 601 . 1 1 86 86 SER C C 13 175.0 0.3 . 1 . . . . 207 SER C . 25346 1 602 . 1 1 86 86 SER CA C 13 58.6 0.3 . 1 . . . . 207 SER CA . 25346 1 603 . 1 1 86 86 SER CB C 13 63.9 0.3 . 1 . . . . 207 SER CB . 25346 1 604 . 1 1 86 86 SER N N 15 115.7 0.3 . 1 . . . . 207 SER N . 25346 1 605 . 1 1 87 87 LEU H H 1 8.15 0.02 . 1 . . . . 208 LEU H . 25346 1 606 . 1 1 87 87 LEU HA H 1 4.11 0.02 . 1 . . . . 208 LEU HA . 25346 1 607 . 1 1 87 87 LEU C C 13 177.7 0.3 . 1 . . . . 208 LEU C . 25346 1 608 . 1 1 87 87 LEU CA C 13 55.8 0.3 . 1 . . . . 208 LEU CA . 25346 1 609 . 1 1 87 87 LEU CB C 13 42.1 0.3 . 1 . . . . 208 LEU CB . 25346 1 610 . 1 1 87 87 LEU CG C 13 26.7 0.3 . 1 . . . . 208 LEU CG . 25346 1 611 . 1 1 87 87 LEU CD1 C 13 24.0 0.3 . 1 . . . . 208 LEU CD1 . 25346 1 612 . 1 1 87 87 LEU CD2 C 13 23.1 0.3 . 1 . . . . 208 LEU CD2 . 25346 1 613 . 1 1 87 87 LEU N N 15 123.3 0.3 . 1 . . . . 208 LEU N . 25346 1 614 . 1 1 88 88 GLU H H 1 8.05 0.02 . 1 . . . . 209 GLU H . 25346 1 615 . 1 1 88 88 GLU HA H 1 4.00 0.02 . 1 . . . . 209 GLU HA . 25346 1 616 . 1 1 88 88 GLU C C 13 176.4 0.3 . 1 . . . . 209 GLU C . 25346 1 617 . 1 1 88 88 GLU CA C 13 56.9 0.3 . 1 . . . . 209 GLU CA . 25346 1 618 . 1 1 88 88 GLU CB C 13 29.9 0.3 . 1 . . . . 209 GLU CB . 25346 1 619 . 1 1 88 88 GLU CG C 13 36.1 0.3 . 1 . . . . 209 GLU CG . 25346 1 620 . 1 1 88 88 GLU N N 15 119.5 0.3 . 1 . . . . 209 GLU N . 25346 1 stop_ save_