data_51239 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51239 _Entry.Title ; Backbone resonance assignments of the designed Armadillo repeat protein N(YIII)MC(AII) at pH 7.0 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-12-20 _Entry.Accession_date 2021-12-20 _Entry.Last_release_date 2021-12-20 _Entry.Original_release_date 2021-12-20 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone resonance assignments of the designed Armadillo repeat protein N(YIII)MC(AII) at pH 7.0' _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 Erich Michel . . . . 51239 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51239 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 340 51239 '15N chemical shifts' 108 51239 '1H chemical shifts' 183 51239 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 . . 2023-01-30 2021-12-20 update BMRB 'update entry citation' 51239 1 . . 2022-05-31 2021-12-20 original author 'original release' 51239 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51240 'Backbone resonance assignments of the designed Armadillo repeat protein N(A4)MC(AII) at pH 5.5' 51239 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51239 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35657362 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Improved Repeat Protein Stability by Combined Consensus and Computational Protein Design ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 62 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 318 _Citation.Page_last 329 _Citation.Year 2023 _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 Erich Michel . . . . 51239 1 2 Stefano Cucuzza . . . . 51239 1 3 Peer Mittl . . . . 51239 1 4 Oliver Zerbe . . . . 51239 1 5 Andreas Pluckthun . . . . 51239 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'armadillo repeat protein' 51239 1 'computational protein design' 51239 1 'consensus design' 51239 1 'hydrogen exchange' 51239 1 'protein stability' 51239 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51239 _Assembly.ID 1 _Assembly.Name 'N(YIII)MC(AII) monomer' _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 N(YIII)MC(AII) 1 $entity_1 . . yes native no no . . . 51239 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51239 _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 ; GELPQMVQQLNSPDQQELQS ALRKLSQIASGGNEQIQAVI DAGALPALVQLLSSPNEQIL QEALWALSNIASGGNEQKQA VKEAGALEKLEQLQSHENEK IQKEAQEALEKLQSH ; _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 127 GLY . 51239 1 2 128 GLU . 51239 1 3 129 LEU . 51239 1 4 130 PRO . 51239 1 5 131 GLN . 51239 1 6 132 MET . 51239 1 7 133 VAL . 51239 1 8 134 GLN . 51239 1 9 135 GLN . 51239 1 10 136 LEU . 51239 1 11 137 ASN . 51239 1 12 138 SER . 51239 1 13 139 PRO . 51239 1 14 140 ASP . 51239 1 15 141 GLN . 51239 1 16 142 GLN . 51239 1 17 143 GLU . 51239 1 18 144 LEU . 51239 1 19 145 GLN . 51239 1 20 146 SER . 51239 1 21 147 ALA . 51239 1 22 148 LEU . 51239 1 23 149 ARG . 51239 1 24 150 LYS . 51239 1 25 151 LEU . 51239 1 26 152 SER . 51239 1 27 153 GLN . 51239 1 28 154 ILE . 51239 1 29 155 ALA . 51239 1 30 156 SER . 51239 1 31 157 GLY . 51239 1 32 158 GLY . 51239 1 33 159 ASN . 51239 1 34 160 GLU . 51239 1 35 161 GLN . 51239 1 36 162 ILE . 51239 1 37 163 GLN . 51239 1 38 164 ALA . 51239 1 39 165 VAL . 51239 1 40 166 ILE . 51239 1 41 167 ASP . 51239 1 42 168 ALA . 51239 1 43 169 GLY . 51239 1 44 170 ALA . 51239 1 45 171 LEU . 51239 1 46 172 PRO . 51239 1 47 173 ALA . 51239 1 48 174 LEU . 51239 1 49 175 VAL . 51239 1 50 176 GLN . 51239 1 51 177 LEU . 51239 1 52 178 LEU . 51239 1 53 179 SER . 51239 1 54 180 SER . 51239 1 55 181 PRO . 51239 1 56 182 ASN . 51239 1 57 183 GLU . 51239 1 58 184 GLN . 51239 1 59 185 ILE . 51239 1 60 186 LEU . 51239 1 61 187 GLN . 51239 1 62 188 GLU . 51239 1 63 189 ALA . 51239 1 64 190 LEU . 51239 1 65 191 TRP . 51239 1 66 192 ALA . 51239 1 67 193 LEU . 51239 1 68 194 SER . 51239 1 69 195 ASN . 51239 1 70 196 ILE . 51239 1 71 197 ALA . 51239 1 72 198 SER . 51239 1 73 199 GLY . 51239 1 74 200 GLY . 51239 1 75 201 ASN . 51239 1 76 202 GLU . 51239 1 77 203 GLN . 51239 1 78 204 LYS . 51239 1 79 205 GLN . 51239 1 80 206 ALA . 51239 1 81 207 VAL . 51239 1 82 208 LYS . 51239 1 83 209 GLU . 51239 1 84 210 ALA . 51239 1 85 211 GLY . 51239 1 86 212 ALA . 51239 1 87 213 LEU . 51239 1 88 214 GLU . 51239 1 89 215 LYS . 51239 1 90 216 LEU . 51239 1 91 217 GLU . 51239 1 92 218 GLN . 51239 1 93 219 LEU . 51239 1 94 220 GLN . 51239 1 95 221 SER . 51239 1 96 222 HIS . 51239 1 97 223 GLU . 51239 1 98 224 ASN . 51239 1 99 225 GLU . 51239 1 100 226 LYS . 51239 1 101 227 ILE . 51239 1 102 228 GLN . 51239 1 103 229 LYS . 51239 1 104 230 GLU . 51239 1 105 231 ALA . 51239 1 106 232 GLN . 51239 1 107 233 GLU . 51239 1 108 234 ALA . 51239 1 109 235 LEU . 51239 1 110 236 GLU . 51239 1 111 237 LYS . 51239 1 112 238 LEU . 51239 1 113 239 GLN . 51239 1 114 240 SER . 51239 1 115 241 HIS . 51239 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 51239 1 . GLU 2 2 51239 1 . LEU 3 3 51239 1 . PRO 4 4 51239 1 . GLN 5 5 51239 1 . MET 6 6 51239 1 . VAL 7 7 51239 1 . GLN 8 8 51239 1 . GLN 9 9 51239 1 . LEU 10 10 51239 1 . ASN 11 11 51239 1 . SER 12 12 51239 1 . PRO 13 13 51239 1 . ASP 14 14 51239 1 . GLN 15 15 51239 1 . GLN 16 16 51239 1 . GLU 17 17 51239 1 . LEU 18 18 51239 1 . GLN 19 19 51239 1 . SER 20 20 51239 1 . ALA 21 21 51239 1 . LEU 22 22 51239 1 . ARG 23 23 51239 1 . LYS 24 24 51239 1 . LEU 25 25 51239 1 . SER 26 26 51239 1 . GLN 27 27 51239 1 . ILE 28 28 51239 1 . ALA 29 29 51239 1 . SER 30 30 51239 1 . GLY 31 31 51239 1 . GLY 32 32 51239 1 . ASN 33 33 51239 1 . GLU 34 34 51239 1 . GLN 35 35 51239 1 . ILE 36 36 51239 1 . GLN 37 37 51239 1 . ALA 38 38 51239 1 . VAL 39 39 51239 1 . ILE 40 40 51239 1 . ASP 41 41 51239 1 . ALA 42 42 51239 1 . GLY 43 43 51239 1 . ALA 44 44 51239 1 . LEU 45 45 51239 1 . PRO 46 46 51239 1 . ALA 47 47 51239 1 . LEU 48 48 51239 1 . VAL 49 49 51239 1 . GLN 50 50 51239 1 . LEU 51 51 51239 1 . LEU 52 52 51239 1 . SER 53 53 51239 1 . SER 54 54 51239 1 . PRO 55 55 51239 1 . ASN 56 56 51239 1 . GLU 57 57 51239 1 . GLN 58 58 51239 1 . ILE 59 59 51239 1 . LEU 60 60 51239 1 . GLN 61 61 51239 1 . GLU 62 62 51239 1 . ALA 63 63 51239 1 . LEU 64 64 51239 1 . TRP 65 65 51239 1 . ALA 66 66 51239 1 . LEU 67 67 51239 1 . SER 68 68 51239 1 . ASN 69 69 51239 1 . ILE 70 70 51239 1 . ALA 71 71 51239 1 . SER 72 72 51239 1 . GLY 73 73 51239 1 . GLY 74 74 51239 1 . ASN 75 75 51239 1 . GLU 76 76 51239 1 . GLN 77 77 51239 1 . LYS 78 78 51239 1 . GLN 79 79 51239 1 . ALA 80 80 51239 1 . VAL 81 81 51239 1 . LYS 82 82 51239 1 . GLU 83 83 51239 1 . ALA 84 84 51239 1 . GLY 85 85 51239 1 . ALA 86 86 51239 1 . LEU 87 87 51239 1 . GLU 88 88 51239 1 . LYS 89 89 51239 1 . LEU 90 90 51239 1 . GLU 91 91 51239 1 . GLN 92 92 51239 1 . LEU 93 93 51239 1 . GLN 94 94 51239 1 . SER 95 95 51239 1 . HIS 96 96 51239 1 . GLU 97 97 51239 1 . ASN 98 98 51239 1 . GLU 99 99 51239 1 . LYS 100 100 51239 1 . ILE 101 101 51239 1 . GLN 102 102 51239 1 . LYS 103 103 51239 1 . GLU 104 104 51239 1 . ALA 105 105 51239 1 . GLN 106 106 51239 1 . GLU 107 107 51239 1 . ALA 108 108 51239 1 . LEU 109 109 51239 1 . GLU 110 110 51239 1 . LYS 111 111 51239 1 . LEU 112 112 51239 1 . GLN 113 113 51239 1 . SER 114 114 51239 1 . HIS 115 115 51239 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 51239 _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 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 51239 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 51239 _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 'BL21 (DE3)' . . plasmid . . pEM3BT2 . . . 51239 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51239 _Sample.ID 1 _Sample.Name N(YIII)MC(AII) _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 'N(YIII)MC(AII) monomer' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 51239 1 2 D2O [U-2H] . . . . . . 5 . . % . . . . 51239 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51239 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51239 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 51239 _Sample_condition_list.ID 1 _Sample_condition_list.Name N(YIII)MC(AII) _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' 0.092 . M 51239 1 pH 7 . pH 51239 1 pressure 1 . atm 51239 1 temperature 310.15 . K 51239 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51239 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51239 1 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 51239 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 51239 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51239 1 2 '3D CBCA(CO)NH' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51239 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51239 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51239 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51239 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51239 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 51239 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name N(YIII)MC(AII) _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 water protons . . . . ppm 4.62 internal indirect . . . . . . 51239 1 H 1 water protons . . . . ppm 4.62 internal direct 1 . . . . . 51239 1 N 15 water protons . . . . ppm 4.62 internal indirect . . . . . . 51239 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 51239 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name N(YIII)MC(AII) _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 51239 1 2 '3D CBCA(CO)NH' . . . 51239 1 3 '3D HNCO' . . . 51239 1 4 '3D HNCA' . . . 51239 1 5 '3D HNCACB' . . . 51239 1 6 '3D HN(CA)CO' . . . 51239 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51239 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 4 4 PRO HA H 1 4.258 0.020 . 1 . . . . . 130 PRO HA . 51239 1 2 . 1 . 1 4 4 PRO HB2 H 1 2.364 0.020 . 2 . . . . . 130 PRO HB2 . 51239 1 3 . 1 . 1 4 4 PRO HB3 H 1 2.321 0.020 . 2 . . . . . 130 PRO HB3 . 51239 1 4 . 1 . 1 4 4 PRO HG3 H 1 1.921 0.020 . 1 . . . . . 130 PRO HG3 . 51239 1 5 . 1 . 1 4 4 PRO HD2 H 1 3.702 0.020 . 2 . . . . . 130 PRO HD2 . 51239 1 6 . 1 . 1 4 4 PRO HD3 H 1 3.531 0.020 . 2 . . . . . 130 PRO HD3 . 51239 1 7 . 1 . 1 4 4 PRO C C 13 177.113 0.3 . 1 . . . . . 130 PRO C . 51239 1 8 . 1 . 1 4 4 PRO CA C 13 66.195 0.3 . 1 . . . . . 130 PRO CA . 51239 1 9 . 1 . 1 4 4 PRO CB C 13 30.743 0.3 . 1 . . . . . 130 PRO CB . 51239 1 10 . 1 . 1 4 4 PRO CG C 13 28.335 0.3 . 1 . . . . . 130 PRO CG . 51239 1 11 . 1 . 1 4 4 PRO CD C 13 49.668 0.3 . 1 . . . . . 130 PRO CD . 51239 1 12 . 1 . 1 5 5 GLN H H 1 7.501 0.020 . 1 . . . . . 131 GLN H . 51239 1 13 . 1 . 1 5 5 GLN HA H 1 4.057 0.020 . 1 . . . . . 131 GLN HA . 51239 1 14 . 1 . 1 5 5 GLN C C 13 175.791 0.3 . 1 . . . . . 131 GLN C . 51239 1 15 . 1 . 1 5 5 GLN CA C 13 58.883 0.3 . 1 . . . . . 131 GLN CA . 51239 1 16 . 1 . 1 5 5 GLN CB C 13 28.240 0.3 . 1 . . . . . 131 GLN CB . 51239 1 17 . 1 . 1 5 5 GLN N N 15 116.744 0.3 . 1 . . . . . 131 GLN N . 51239 1 18 . 1 . 1 6 6 MET H H 1 7.841 0.020 . 1 . . . . . 132 MET H . 51239 1 19 . 1 . 1 6 6 MET HA H 1 4.164 0.020 . 1 . . . . . 132 MET HA . 51239 1 20 . 1 . 1 6 6 MET C C 13 175.595 0.3 . 1 . . . . . 132 MET C . 51239 1 21 . 1 . 1 6 6 MET CA C 13 58.521 0.3 . 1 . . . . . 132 MET CA . 51239 1 22 . 1 . 1 6 6 MET CB C 13 33.133 0.3 . 1 . . . . . 132 MET CB . 51239 1 23 . 1 . 1 6 6 MET N N 15 119.922 0.3 . 1 . . . . . 132 MET N . 51239 1 24 . 1 . 1 7 7 VAL H H 1 7.948 0.020 . 1 . . . . . 133 VAL H . 51239 1 25 . 1 . 1 7 7 VAL HA H 1 3.367 0.020 . 1 . . . . . 133 VAL HA . 51239 1 26 . 1 . 1 7 7 VAL C C 13 176.916 0.3 . 1 . . . . . 133 VAL C . 51239 1 27 . 1 . 1 7 7 VAL CA C 13 66.785 0.3 . 1 . . . . . 133 VAL CA . 51239 1 28 . 1 . 1 7 7 VAL CB C 13 30.992 0.3 . 1 . . . . . 133 VAL CB . 51239 1 29 . 1 . 1 7 7 VAL CG1 C 13 23.611 0.3 . 1 . . . . . 133 VAL CG1 . 51239 1 30 . 1 . 1 7 7 VAL CG2 C 13 21.422 0.3 . 1 . . . . . 133 VAL CG2 . 51239 1 31 . 1 . 1 7 7 VAL N N 15 116.731 0.3 . 1 . . . . . 133 VAL N . 51239 1 32 . 1 . 1 8 8 GLN H H 1 7.748 0.020 . 1 . . . . . 134 GLN H . 51239 1 33 . 1 . 1 8 8 GLN C C 13 177.144 0.3 . 1 . . . . . 134 GLN C . 51239 1 34 . 1 . 1 8 8 GLN CA C 13 58.739 0.3 . 1 . . . . . 134 GLN CA . 51239 1 35 . 1 . 1 8 8 GLN CB C 13 28.059 0.3 . 1 . . . . . 134 GLN CB . 51239 1 36 . 1 . 1 8 8 GLN N N 15 119.698 0.3 . 1 . . . . . 134 GLN N . 51239 1 37 . 1 . 1 9 9 GLN H H 1 7.812 0.020 . 1 . . . . . 135 GLN H . 51239 1 38 . 1 . 1 9 9 GLN C C 13 174.965 0.3 . 1 . . . . . 135 GLN C . 51239 1 39 . 1 . 1 9 9 GLN CA C 13 58.273 0.3 . 1 . . . . . 135 GLN CA . 51239 1 40 . 1 . 1 9 9 GLN CB C 13 28.979 0.3 . 1 . . . . . 135 GLN CB . 51239 1 41 . 1 . 1 9 9 GLN N N 15 119.329 0.3 . 1 . . . . . 135 GLN N . 51239 1 42 . 1 . 1 10 10 LEU H H 1 7.475 0.020 . 1 . . . . . 136 LEU H . 51239 1 43 . 1 . 1 10 10 LEU C C 13 173.809 0.3 . 1 . . . . . 136 LEU C . 51239 1 44 . 1 . 1 10 10 LEU CA C 13 56.241 0.3 . 1 . . . . . 136 LEU CA . 51239 1 45 . 1 . 1 10 10 LEU CB C 13 40.974 0.3 . 1 . . . . . 136 LEU CB . 51239 1 46 . 1 . 1 10 10 LEU N N 15 116.909 0.3 . 1 . . . . . 136 LEU N . 51239 1 47 . 1 . 1 11 11 ASN H H 1 7.350 0.020 . 1 . . . . . 137 ASN H . 51239 1 48 . 1 . 1 11 11 ASN C C 13 172.859 0.3 . 1 . . . . . 137 ASN C . 51239 1 49 . 1 . 1 11 11 ASN CA C 13 52.273 0.3 . 1 . . . . . 137 ASN CA . 51239 1 50 . 1 . 1 11 11 ASN CB C 13 39.778 0.3 . 1 . . . . . 137 ASN CB . 51239 1 51 . 1 . 1 11 11 ASN N N 15 113.849 0.3 . 1 . . . . . 137 ASN N . 51239 1 52 . 1 . 1 12 12 SER H H 1 7.377 0.020 . 1 . . . . . 138 SER H . 51239 1 53 . 1 . 1 12 12 SER C C 13 172.343 0.3 . 1 . . . . . 138 SER C . 51239 1 54 . 1 . 1 12 12 SER CA C 13 56.162 0.3 . 1 . . . . . 138 SER CA . 51239 1 55 . 1 . 1 12 12 SER CB C 13 64.668 0.3 . 1 . . . . . 138 SER CB . 51239 1 56 . 1 . 1 12 12 SER N N 15 116.219 0.3 . 1 . . . . . 138 SER N . 51239 1 57 . 1 . 1 13 13 PRO C C 13 174.583 0.3 . 1 . . . . . 139 PRO C . 51239 1 58 . 1 . 1 13 13 PRO CA C 13 63.221 0.3 . 1 . . . . . 139 PRO CA . 51239 1 59 . 1 . 1 13 13 PRO CB C 13 31.728 0.3 . 1 . . . . . 139 PRO CB . 51239 1 60 . 1 . 1 14 14 ASP H H 1 8.318 0.020 . 1 . . . . . 140 ASP H . 51239 1 61 . 1 . 1 14 14 ASP C C 13 173.675 0.3 . 1 . . . . . 140 ASP C . 51239 1 62 . 1 . 1 14 14 ASP CA C 13 53.452 0.3 . 1 . . . . . 140 ASP CA . 51239 1 63 . 1 . 1 14 14 ASP CB C 13 42.016 0.3 . 1 . . . . . 140 ASP CB . 51239 1 64 . 1 . 1 14 14 ASP N N 15 121.981 0.3 . 1 . . . . . 140 ASP N . 51239 1 65 . 1 . 1 15 15 GLN H H 1 8.798 0.020 . 1 . . . . . 141 GLN H . 51239 1 66 . 1 . 1 15 15 GLN C C 13 175.626 0.3 . 1 . . . . . 141 GLN C . 51239 1 67 . 1 . 1 15 15 GLN CA C 13 59.125 0.3 . 1 . . . . . 141 GLN CA . 51239 1 68 . 1 . 1 15 15 GLN CB C 13 28.653 0.3 . 1 . . . . . 141 GLN CB . 51239 1 69 . 1 . 1 15 15 GLN N N 15 125.715 0.3 . 1 . . . . . 141 GLN N . 51239 1 70 . 1 . 1 16 16 GLN H H 1 8.251 0.020 . 1 . . . . . 142 GLN H . 51239 1 71 . 1 . 1 16 16 GLN C C 13 176.924 0.3 . 1 . . . . . 142 GLN C . 51239 1 72 . 1 . 1 16 16 GLN CA C 13 58.924 0.3 . 1 . . . . . 142 GLN CA . 51239 1 73 . 1 . 1 16 16 GLN CB C 13 28.059 0.3 . 1 . . . . . 142 GLN CB . 51239 1 74 . 1 . 1 16 16 GLN N N 15 118.435 0.3 . 1 . . . . . 142 GLN N . 51239 1 75 . 1 . 1 17 17 GLU H H 1 7.876 0.020 . 1 . . . . . 143 GLU H . 51239 1 76 . 1 . 1 17 17 GLU C C 13 176.720 0.3 . 1 . . . . . 143 GLU C . 51239 1 77 . 1 . 1 17 17 GLU CA C 13 59.112 0.3 . 1 . . . . . 143 GLU CA . 51239 1 78 . 1 . 1 17 17 GLU CB C 13 29.609 0.3 . 1 . . . . . 143 GLU CB . 51239 1 79 . 1 . 1 17 17 GLU N N 15 122.770 0.3 . 1 . . . . . 143 GLU N . 51239 1 80 . 1 . 1 18 18 LEU H H 1 8.188 0.020 . 1 . . . . . 144 LEU H . 51239 1 81 . 1 . 1 18 18 LEU C C 13 176.669 0.3 . 1 . . . . . 144 LEU C . 51239 1 82 . 1 . 1 18 18 LEU CA C 13 58.726 0.3 . 1 . . . . . 144 LEU CA . 51239 1 83 . 1 . 1 18 18 LEU CB C 13 42.910 0.3 . 1 . . . . . 144 LEU CB . 51239 1 84 . 1 . 1 18 18 LEU N N 15 121.549 0.3 . 1 . . . . . 144 LEU N . 51239 1 85 . 1 . 1 19 19 GLN H H 1 8.255 0.020 . 1 . . . . . 145 GLN H . 51239 1 86 . 1 . 1 19 19 GLN C C 13 175.905 0.3 . 1 . . . . . 145 GLN C . 51239 1 87 . 1 . 1 19 19 GLN CA C 13 60.270 0.3 . 1 . . . . . 145 GLN CA . 51239 1 88 . 1 . 1 19 19 GLN CB C 13 28.881 0.3 . 1 . . . . . 145 GLN CB . 51239 1 89 . 1 . 1 19 19 GLN N N 15 116.869 0.3 . 1 . . . . . 145 GLN N . 51239 1 90 . 1 . 1 20 20 SER H H 1 7.898 0.020 . 1 . . . . . 146 SER H . 51239 1 91 . 1 . 1 20 20 SER C C 13 174.614 0.3 . 1 . . . . . 146 SER C . 51239 1 92 . 1 . 1 20 20 SER CA C 13 61.467 0.3 . 1 . . . . . 146 SER CA . 51239 1 93 . 1 . 1 20 20 SER CB C 13 62.604 0.3 . 1 . . . . . 146 SER CB . 51239 1 94 . 1 . 1 20 20 SER N N 15 113.809 0.3 . 1 . . . . . 146 SER N . 51239 1 95 . 1 . 1 21 21 ALA H H 1 7.901 0.020 . 1 . . . . . 147 ALA H . 51239 1 96 . 1 . 1 21 21 ALA C C 13 177.040 0.3 . 1 . . . . . 147 ALA C . 51239 1 97 . 1 . 1 21 21 ALA CA C 13 55.327 0.3 . 1 . . . . . 147 ALA CA . 51239 1 98 . 1 . 1 21 21 ALA CB C 13 18.693 0.3 . 1 . . . . . 147 ALA CB . 51239 1 99 . 1 . 1 21 21 ALA N N 15 125.068 0.3 . 1 . . . . . 147 ALA N . 51239 1 100 . 1 . 1 22 22 LEU H H 1 8.359 0.020 . 1 . . . . . 148 LEU H . 51239 1 101 . 1 . 1 22 22 LEU C C 13 176.442 0.3 . 1 . . . . . 148 LEU C . 51239 1 102 . 1 . 1 22 22 LEU CA C 13 58.117 0.3 . 1 . . . . . 148 LEU CA . 51239 1 103 . 1 . 1 22 22 LEU CB C 13 42.526 0.3 . 1 . . . . . 148 LEU CB . 51239 1 104 . 1 . 1 22 22 LEU N N 15 118.478 0.3 . 1 . . . . . 148 LEU N . 51239 1 105 . 1 . 1 23 23 ARG H H 1 8.103 0.020 . 1 . . . . . 149 ARG H . 51239 1 106 . 1 . 1 23 23 ARG C C 13 177.360 0.3 . 1 . . . . . 149 ARG C . 51239 1 107 . 1 . 1 23 23 ARG CA C 13 59.042 0.3 . 1 . . . . . 149 ARG CA . 51239 1 108 . 1 . 1 23 23 ARG CB C 13 29.638 0.3 . 1 . . . . . 149 ARG CB . 51239 1 109 . 1 . 1 23 23 ARG N N 15 118.741 0.3 . 1 . . . . . 149 ARG N . 51239 1 110 . 1 . 1 24 24 LYS H H 1 7.786 0.020 . 1 . . . . . 150 LYS H . 51239 1 111 . 1 . 1 24 24 LYS C C 13 176.772 0.3 . 1 . . . . . 150 LYS C . 51239 1 112 . 1 . 1 24 24 LYS CA C 13 59.219 0.3 . 1 . . . . . 150 LYS CA . 51239 1 113 . 1 . 1 24 24 LYS CB C 13 32.169 0.3 . 1 . . . . . 150 LYS CB . 51239 1 114 . 1 . 1 24 24 LYS N N 15 120.248 0.3 . 1 . . . . . 150 LYS N . 51239 1 115 . 1 . 1 25 25 LEU H H 1 8.532 0.020 . 1 . . . . . 151 LEU H . 51239 1 116 . 1 . 1 25 25 LEU C C 13 176.640 0.3 . 1 . . . . . 151 LEU C . 51239 1 117 . 1 . 1 25 25 LEU CA C 13 58.527 0.3 . 1 . . . . . 151 LEU CA . 51239 1 118 . 1 . 1 25 25 LEU CB C 13 41.838 0.3 . 1 . . . . . 151 LEU CB . 51239 1 119 . 1 . 1 25 25 LEU N N 15 120.651 0.3 . 1 . . . . . 151 LEU N . 51239 1 120 . 1 . 1 26 26 SER H H 1 8.454 0.020 . 1 . . . . . 152 SER H . 51239 1 121 . 1 . 1 26 26 SER C C 13 174.416 0.3 . 1 . . . . . 152 SER C . 51239 1 122 . 1 . 1 26 26 SER CA C 13 62.130 0.3 . 1 . . . . . 152 SER CA . 51239 1 123 . 1 . 1 26 26 SER CB C 13 62.680 0.3 . 1 . . . . . 152 SER CB . 51239 1 124 . 1 . 1 26 26 SER N N 15 114.417 0.3 . 1 . . . . . 152 SER N . 51239 1 125 . 1 . 1 27 27 GLN H H 1 7.717 0.020 . 1 . . . . . 153 GLN H . 51239 1 126 . 1 . 1 27 27 GLN C C 13 177.892 0.3 . 1 . . . . . 153 GLN C . 51239 1 127 . 1 . 1 27 27 GLN CA C 13 58.736 0.3 . 1 . . . . . 153 GLN CA . 51239 1 128 . 1 . 1 27 27 GLN CB C 13 28.155 0.3 . 1 . . . . . 153 GLN CB . 51239 1 129 . 1 . 1 27 27 GLN N N 15 120.028 0.3 . 1 . . . . . 153 GLN N . 51239 1 130 . 1 . 1 28 28 ILE H H 1 8.318 0.020 . 1 . . . . . 154 ILE H . 51239 1 131 . 1 . 1 28 28 ILE C C 13 176.249 0.3 . 1 . . . . . 154 ILE C . 51239 1 132 . 1 . 1 28 28 ILE CA C 13 65.152 0.3 . 1 . . . . . 154 ILE CA . 51239 1 133 . 1 . 1 28 28 ILE CB C 13 38.216 0.3 . 1 . . . . . 154 ILE CB . 51239 1 134 . 1 . 1 28 28 ILE N N 15 122.788 0.3 . 1 . . . . . 154 ILE N . 51239 1 135 . 1 . 1 29 29 ALA H H 1 8.305 0.020 . 1 . . . . . 155 ALA H . 51239 1 136 . 1 . 1 29 29 ALA C C 13 174.250 0.3 . 1 . . . . . 155 ALA C . 51239 1 137 . 1 . 1 29 29 ALA CA C 13 53.646 0.3 . 1 . . . . . 155 ALA CA . 51239 1 138 . 1 . 1 29 29 ALA CB C 13 18.111 0.3 . 1 . . . . . 155 ALA CB . 51239 1 139 . 1 . 1 29 29 ALA N N 15 119.421 0.3 . 1 . . . . . 155 ALA N . 51239 1 140 . 1 . 1 30 30 SER H H 1 7.449 0.020 . 1 . . . . . 156 SER H . 51239 1 141 . 1 . 1 30 30 SER C C 13 172.832 0.3 . 1 . . . . . 156 SER C . 51239 1 142 . 1 . 1 30 30 SER CA C 13 59.554 0.3 . 1 . . . . . 156 SER CA . 51239 1 143 . 1 . 1 30 30 SER CB C 13 63.414 0.3 . 1 . . . . . 156 SER CB . 51239 1 144 . 1 . 1 30 30 SER N N 15 111.026 0.3 . 1 . . . . . 156 SER N . 51239 1 145 . 1 . 1 31 31 GLY H H 1 7.869 0.020 . 1 . . . . . 157 GLY H . 51239 1 146 . 1 . 1 31 31 GLY C C 13 171.835 0.3 . 1 . . . . . 157 GLY C . 51239 1 147 . 1 . 1 31 31 GLY CA C 13 45.641 0.3 . 1 . . . . . 157 GLY CA . 51239 1 148 . 1 . 1 31 31 GLY N N 15 108.554 0.3 . 1 . . . . . 157 GLY N . 51239 1 149 . 1 . 1 32 32 GLY H H 1 7.686 0.020 . 1 . . . . . 158 GLY H . 51239 1 150 . 1 . 1 32 32 GLY C C 13 172.299 0.3 . 1 . . . . . 158 GLY C . 51239 1 151 . 1 . 1 32 32 GLY CA C 13 44.265 0.3 . 1 . . . . . 158 GLY CA . 51239 1 152 . 1 . 1 32 32 GLY N N 15 107.301 0.3 . 1 . . . . . 158 GLY N . 51239 1 153 . 1 . 1 33 33 ASN C C 13 175.471 0.3 . 1 . . . . . 159 ASN C . 51239 1 154 . 1 . 1 33 33 ASN CA C 13 56.977 0.3 . 1 . . . . . 159 ASN CA . 51239 1 155 . 1 . 1 33 33 ASN CB C 13 38.196 0.3 . 1 . . . . . 159 ASN CB . 51239 1 156 . 1 . 1 34 34 GLU H H 1 9.013 0.020 . 1 . . . . . 160 GLU H . 51239 1 157 . 1 . 1 34 34 GLU C C 13 177.032 0.3 . 1 . . . . . 160 GLU C . 51239 1 158 . 1 . 1 34 34 GLU CA C 13 59.896 0.3 . 1 . . . . . 160 GLU CA . 51239 1 159 . 1 . 1 34 34 GLU CB C 13 28.681 0.3 . 1 . . . . . 160 GLU CB . 51239 1 160 . 1 . 1 34 34 GLU N N 15 119.967 0.3 . 1 . . . . . 160 GLU N . 51239 1 161 . 1 . 1 35 35 GLN H H 1 7.688 0.020 . 1 . . . . . 161 GLN H . 51239 1 162 . 1 . 1 35 35 GLN C C 13 175.987 0.3 . 1 . . . . . 161 GLN C . 51239 1 163 . 1 . 1 35 35 GLN CA C 13 58.702 0.3 . 1 . . . . . 161 GLN CA . 51239 1 164 . 1 . 1 35 35 GLN CB C 13 28.384 0.3 . 1 . . . . . 161 GLN CB . 51239 1 165 . 1 . 1 35 35 GLN N N 15 120.652 0.3 . 1 . . . . . 161 GLN N . 51239 1 166 . 1 . 1 36 36 ILE H H 1 8.114 0.020 . 1 . . . . . 162 ILE H . 51239 1 167 . 1 . 1 36 36 ILE C C 13 175.878 0.3 . 1 . . . . . 162 ILE C . 51239 1 168 . 1 . 1 36 36 ILE CA C 13 66.269 0.3 . 1 . . . . . 162 ILE CA . 51239 1 169 . 1 . 1 36 36 ILE CB C 13 38.191 0.3 . 1 . . . . . 162 ILE CB . 51239 1 170 . 1 . 1 36 36 ILE N N 15 119.182 0.3 . 1 . . . . . 162 ILE N . 51239 1 171 . 1 . 1 37 37 GLN H H 1 8.184 0.020 . 1 . . . . . 163 GLN H . 51239 1 172 . 1 . 1 37 37 GLN C C 13 174.979 0.3 . 1 . . . . . 163 GLN C . 51239 1 173 . 1 . 1 37 37 GLN CA C 13 58.049 0.3 . 1 . . . . . 163 GLN CA . 51239 1 174 . 1 . 1 37 37 GLN CB C 13 27.673 0.3 . 1 . . . . . 163 GLN CB . 51239 1 175 . 1 . 1 37 37 GLN N N 15 118.240 0.3 . 1 . . . . . 163 GLN N . 51239 1 176 . 1 . 1 38 38 ALA H H 1 7.522 0.020 . 1 . . . . . 164 ALA H . 51239 1 177 . 1 . 1 38 38 ALA HB1 H 1 1.453 0.020 . 1 . . . . . 164 ALA HB . 51239 1 178 . 1 . 1 38 38 ALA HB2 H 1 1.453 0.020 . 1 . . . . . 164 ALA HB . 51239 1 179 . 1 . 1 38 38 ALA HB3 H 1 1.453 0.020 . 1 . . . . . 164 ALA HB . 51239 1 180 . 1 . 1 38 38 ALA C C 13 178.556 0.3 . 1 . . . . . 164 ALA C . 51239 1 181 . 1 . 1 38 38 ALA CA C 13 55.228 0.3 . 1 . . . . . 164 ALA CA . 51239 1 182 . 1 . 1 38 38 ALA CB C 13 17.401 0.3 . 1 . . . . . 164 ALA CB . 51239 1 183 . 1 . 1 38 38 ALA N N 15 120.428 0.3 . 1 . . . . . 164 ALA N . 51239 1 184 . 1 . 1 39 39 VAL H H 1 7.637 0.020 . 1 . . . . . 165 VAL H . 51239 1 185 . 1 . 1 39 39 VAL C C 13 175.288 0.3 . 1 . . . . . 165 VAL C . 51239 1 186 . 1 . 1 39 39 VAL CA C 13 66.523 0.3 . 1 . . . . . 165 VAL CA . 51239 1 187 . 1 . 1 39 39 VAL CB C 13 31.531 0.3 . 1 . . . . . 165 VAL CB . 51239 1 188 . 1 . 1 39 39 VAL N N 15 117.722 0.3 . 1 . . . . . 165 VAL N . 51239 1 189 . 1 . 1 40 40 ILE H H 1 7.963 0.020 . 1 . . . . . 166 ILE H . 51239 1 190 . 1 . 1 40 40 ILE C C 13 179.060 0.3 . 1 . . . . . 166 ILE C . 51239 1 191 . 1 . 1 40 40 ILE CA C 13 65.875 0.3 . 1 . . . . . 166 ILE CA . 51239 1 192 . 1 . 1 40 40 ILE CB C 13 37.813 0.3 . 1 . . . . . 166 ILE CB . 51239 1 193 . 1 . 1 40 40 ILE N N 15 120.900 0.3 . 1 . . . . . 166 ILE N . 51239 1 194 . 1 . 1 41 41 ASP H H 1 9.363 0.020 . 1 . . . . . 167 ASP H . 51239 1 195 . 1 . 1 41 41 ASP C C 13 175.099 0.3 . 1 . . . . . 167 ASP C . 51239 1 196 . 1 . 1 41 41 ASP CA C 13 57.152 0.3 . 1 . . . . . 167 ASP CA . 51239 1 197 . 1 . 1 41 41 ASP CB C 13 39.805 0.3 . 1 . . . . . 167 ASP CB . 51239 1 198 . 1 . 1 41 41 ASP N N 15 123.621 0.3 . 1 . . . . . 167 ASP N . 51239 1 199 . 1 . 1 42 42 ALA H H 1 7.495 0.020 . 1 . . . . . 168 ALA H . 51239 1 200 . 1 . 1 42 42 ALA HA H 1 4.298 0.020 . 1 . . . . . 168 ALA HA . 51239 1 201 . 1 . 1 42 42 ALA HB1 H 1 1.407 0.020 . 1 . . . . . 168 ALA HB . 51239 1 202 . 1 . 1 42 42 ALA HB2 H 1 1.407 0.020 . 1 . . . . . 168 ALA HB . 51239 1 203 . 1 . 1 42 42 ALA HB3 H 1 1.407 0.020 . 1 . . . . . 168 ALA HB . 51239 1 204 . 1 . 1 42 42 ALA C C 13 174.976 0.3 . 1 . . . . . 168 ALA C . 51239 1 205 . 1 . 1 42 42 ALA CA C 13 52.144 0.3 . 1 . . . . . 168 ALA CA . 51239 1 206 . 1 . 1 42 42 ALA CB C 13 18.948 0.3 . 1 . . . . . 168 ALA CB . 51239 1 207 . 1 . 1 42 42 ALA N N 15 119.287 0.3 . 1 . . . . . 168 ALA N . 51239 1 208 . 1 . 1 43 43 GLY H H 1 7.952 0.020 . 1 . . . . . 169 GLY H . 51239 1 209 . 1 . 1 43 43 GLY C C 13 173.945 0.3 . 1 . . . . . 169 GLY C . 51239 1 210 . 1 . 1 43 43 GLY CA C 13 45.626 0.3 . 1 . . . . . 169 GLY CA . 51239 1 211 . 1 . 1 43 43 GLY N N 15 103.956 0.3 . 1 . . . . . 169 GLY N . 51239 1 212 . 1 . 1 44 44 ALA H H 1 7.217 0.020 . 1 . . . . . 170 ALA H . 51239 1 213 . 1 . 1 44 44 ALA C C 13 176.012 0.3 . 1 . . . . . 170 ALA C . 51239 1 214 . 1 . 1 44 44 ALA CA C 13 54.446 0.3 . 1 . . . . . 170 ALA CA . 51239 1 215 . 1 . 1 44 44 ALA CB C 13 20.615 0.3 . 1 . . . . . 170 ALA CB . 51239 1 216 . 1 . 1 44 44 ALA N N 15 117.302 0.3 . 1 . . . . . 170 ALA N . 51239 1 217 . 1 . 1 45 45 LEU H H 1 9.090 0.020 . 1 . . . . . 171 LEU H . 51239 1 218 . 1 . 1 45 45 LEU C C 13 173.276 0.3 . 1 . . . . . 171 LEU C . 51239 1 219 . 1 . 1 45 45 LEU CA C 13 60.114 0.3 . 1 . . . . . 171 LEU CA . 51239 1 220 . 1 . 1 45 45 LEU CB C 13 38.810 0.3 . 1 . . . . . 171 LEU CB . 51239 1 221 . 1 . 1 45 45 LEU N N 15 113.267 0.3 . 1 . . . . . 171 LEU N . 51239 1 222 . 1 . 1 46 46 PRO C C 13 177.112 0.3 . 1 . . . . . 172 PRO C . 51239 1 223 . 1 . 1 46 46 PRO CA C 13 66.144 0.3 . 1 . . . . . 172 PRO CA . 51239 1 224 . 1 . 1 46 46 PRO CB C 13 30.655 0.3 . 1 . . . . . 172 PRO CB . 51239 1 225 . 1 . 1 47 47 ALA H H 1 6.986 0.020 . 1 . . . . . 173 ALA H . 51239 1 226 . 1 . 1 47 47 ALA C C 13 177.465 0.3 . 1 . . . . . 173 ALA C . 51239 1 227 . 1 . 1 47 47 ALA CA C 13 54.435 0.3 . 1 . . . . . 173 ALA CA . 51239 1 228 . 1 . 1 47 47 ALA CB C 13 19.273 0.3 . 1 . . . . . 173 ALA CB . 51239 1 229 . 1 . 1 47 47 ALA N N 15 118.500 0.3 . 1 . . . . . 173 ALA N . 51239 1 230 . 1 . 1 48 48 LEU H H 1 8.026 0.020 . 1 . . . . . 174 LEU H . 51239 1 231 . 1 . 1 48 48 LEU C C 13 175.934 0.3 . 1 . . . . . 174 LEU C . 51239 1 232 . 1 . 1 48 48 LEU CA C 13 58.116 0.3 . 1 . . . . . 174 LEU CA . 51239 1 233 . 1 . 1 48 48 LEU CB C 13 42.372 0.3 . 1 . . . . . 174 LEU CB . 51239 1 234 . 1 . 1 48 48 LEU N N 15 117.891 0.3 . 1 . . . . . 174 LEU N . 51239 1 235 . 1 . 1 49 49 VAL H H 1 8.305 0.020 . 1 . . . . . 175 VAL H . 51239 1 236 . 1 . 1 49 49 VAL C C 13 177.106 0.3 . 1 . . . . . 175 VAL C . 51239 1 237 . 1 . 1 49 49 VAL CA C 13 66.922 0.3 . 1 . . . . . 175 VAL CA . 51239 1 238 . 1 . 1 49 49 VAL CB C 13 31.174 0.3 . 1 . . . . . 175 VAL CB . 51239 1 239 . 1 . 1 49 49 VAL N N 15 115.627 0.3 . 1 . . . . . 175 VAL N . 51239 1 240 . 1 . 1 50 50 GLN H H 1 7.678 0.020 . 1 . . . . . 176 GLN H . 51239 1 241 . 1 . 1 50 50 GLN C C 13 177.113 0.3 . 1 . . . . . 176 GLN C . 51239 1 242 . 1 . 1 50 50 GLN CA C 13 58.733 0.3 . 1 . . . . . 176 GLN CA . 51239 1 243 . 1 . 1 50 50 GLN CB C 13 28.075 0.3 . 1 . . . . . 176 GLN CB . 51239 1 244 . 1 . 1 50 50 GLN N N 15 119.431 0.3 . 1 . . . . . 176 GLN N . 51239 1 245 . 1 . 1 51 51 LEU H H 1 7.709 0.020 . 1 . . . . . 177 LEU H . 51239 1 246 . 1 . 1 51 51 LEU C C 13 175.532 0.3 . 1 . . . . . 177 LEU C . 51239 1 247 . 1 . 1 51 51 LEU CA C 13 56.823 0.3 . 1 . . . . . 177 LEU CA . 51239 1 248 . 1 . 1 51 51 LEU CB C 13 41.494 0.3 . 1 . . . . . 177 LEU CB . 51239 1 249 . 1 . 1 51 51 LEU N N 15 119.959 0.3 . 1 . . . . . 177 LEU N . 51239 1 250 . 1 . 1 52 52 LEU H H 1 7.391 0.020 . 1 . . . . . 178 LEU H . 51239 1 251 . 1 . 1 52 52 LEU C C 13 174.355 0.3 . 1 . . . . . 178 LEU C . 51239 1 252 . 1 . 1 52 52 LEU CA C 13 56.049 0.3 . 1 . . . . . 178 LEU CA . 51239 1 253 . 1 . 1 52 52 LEU CB C 13 40.514 0.3 . 1 . . . . . 178 LEU CB . 51239 1 254 . 1 . 1 52 52 LEU N N 15 116.201 0.3 . 1 . . . . . 178 LEU N . 51239 1 255 . 1 . 1 53 53 SER H H 1 7.393 0.020 . 1 . . . . . 179 SER H . 51239 1 256 . 1 . 1 53 53 SER C C 13 171.946 0.3 . 1 . . . . . 179 SER C . 51239 1 257 . 1 . 1 53 53 SER CA C 13 57.627 0.3 . 1 . . . . . 179 SER CA . 51239 1 258 . 1 . 1 53 53 SER CB C 13 63.607 0.3 . 1 . . . . . 179 SER CB . 51239 1 259 . 1 . 1 53 53 SER N N 15 110.900 0.3 . 1 . . . . . 179 SER N . 51239 1 260 . 1 . 1 54 54 SER H H 1 7.492 0.020 . 1 . . . . . 180 SER H . 51239 1 261 . 1 . 1 54 54 SER C C 13 172.560 0.3 . 1 . . . . . 180 SER C . 51239 1 262 . 1 . 1 54 54 SER CA C 13 56.823 0.3 . 1 . . . . . 180 SER CA . 51239 1 263 . 1 . 1 54 54 SER CB C 13 64.875 0.3 . 1 . . . . . 180 SER CB . 51239 1 264 . 1 . 1 54 54 SER N N 15 117.920 0.3 . 1 . . . . . 180 SER N . 51239 1 265 . 1 . 1 55 55 PRO C C 13 174.346 0.3 . 1 . . . . . 181 PRO C . 51239 1 266 . 1 . 1 55 55 PRO CA C 13 63.172 0.3 . 1 . . . . . 181 PRO CA . 51239 1 267 . 1 . 1 55 55 PRO CB C 13 31.791 0.3 . 1 . . . . . 181 PRO CB . 51239 1 268 . 1 . 1 56 56 ASN H H 1 8.167 0.020 . 1 . . . . . 182 ASN H . 51239 1 269 . 1 . 1 56 56 ASN C C 13 172.839 0.3 . 1 . . . . . 182 ASN C . 51239 1 270 . 1 . 1 56 56 ASN CA C 13 52.643 0.3 . 1 . . . . . 182 ASN CA . 51239 1 271 . 1 . 1 56 56 ASN CB C 13 39.017 0.3 . 1 . . . . . 182 ASN CB . 51239 1 272 . 1 . 1 56 56 ASN N N 15 120.052 0.3 . 1 . . . . . 182 ASN N . 51239 1 273 . 1 . 1 57 57 GLU H H 1 8.991 0.020 . 1 . . . . . 183 GLU H . 51239 1 274 . 1 . 1 57 57 GLU C C 13 175.587 0.3 . 1 . . . . . 183 GLU C . 51239 1 275 . 1 . 1 57 57 GLU CA C 13 59.920 0.3 . 1 . . . . . 183 GLU CA . 51239 1 276 . 1 . 1 57 57 GLU CB C 13 29.933 0.3 . 1 . . . . . 183 GLU CB . 51239 1 277 . 1 . 1 57 57 GLU N N 15 126.643 0.3 . 1 . . . . . 183 GLU N . 51239 1 278 . 1 . 1 58 58 GLN H H 1 8.049 0.020 . 1 . . . . . 184 GLN H . 51239 1 279 . 1 . 1 58 58 GLN C C 13 176.288 0.3 . 1 . . . . . 184 GLN C . 51239 1 280 . 1 . 1 58 58 GLN CA C 13 59.132 0.3 . 1 . . . . . 184 GLN CA . 51239 1 281 . 1 . 1 58 58 GLN CB C 13 28.058 0.3 . 1 . . . . . 184 GLN CB . 51239 1 282 . 1 . 1 58 58 GLN N N 15 118.639 0.3 . 1 . . . . . 184 GLN N . 51239 1 283 . 1 . 1 59 59 ILE H H 1 7.322 0.020 . 1 . . . . . 185 ILE H . 51239 1 284 . 1 . 1 59 59 ILE C C 13 174.806 0.3 . 1 . . . . . 185 ILE C . 51239 1 285 . 1 . 1 59 59 ILE CA C 13 63.609 0.3 . 1 . . . . . 185 ILE CA . 51239 1 286 . 1 . 1 59 59 ILE CB C 13 36.609 0.3 . 1 . . . . . 185 ILE CB . 51239 1 287 . 1 . 1 59 59 ILE N N 15 120.544 0.3 . 1 . . . . . 185 ILE N . 51239 1 288 . 1 . 1 60 60 LEU H H 1 8.115 0.020 . 1 . . . . . 186 LEU H . 51239 1 289 . 1 . 1 60 60 LEU C C 13 176.594 0.3 . 1 . . . . . 186 LEU C . 51239 1 290 . 1 . 1 60 60 LEU CA C 13 58.722 0.3 . 1 . . . . . 186 LEU CA . 51239 1 291 . 1 . 1 60 60 LEU CB C 13 42.895 0.3 . 1 . . . . . 186 LEU CB . 51239 1 292 . 1 . 1 60 60 LEU N N 15 120.097 0.3 . 1 . . . . . 186 LEU N . 51239 1 293 . 1 . 1 61 61 GLN H H 1 7.853 0.020 . 1 . . . . . 187 GLN H . 51239 1 294 . 1 . 1 61 61 GLN C C 13 175.349 0.3 . 1 . . . . . 187 GLN C . 51239 1 295 . 1 . 1 61 61 GLN CA C 13 59.497 0.3 . 1 . . . . . 187 GLN CA . 51239 1 296 . 1 . 1 61 61 GLN CB C 13 28.864 0.3 . 1 . . . . . 187 GLN CB . 51239 1 297 . 1 . 1 61 61 GLN N N 15 115.377 0.3 . 1 . . . . . 187 GLN N . 51239 1 298 . 1 . 1 62 62 GLU H H 1 7.524 0.020 . 1 . . . . . 188 GLU H . 51239 1 299 . 1 . 1 62 62 GLU C C 13 177.219 0.3 . 1 . . . . . 188 GLU C . 51239 1 300 . 1 . 1 62 62 GLU CA C 13 58.924 0.3 . 1 . . . . . 188 GLU CA . 51239 1 301 . 1 . 1 62 62 GLU CB C 13 29.427 0.3 . 1 . . . . . 188 GLU CB . 51239 1 302 . 1 . 1 62 62 GLU N N 15 118.112 0.3 . 1 . . . . . 188 GLU N . 51239 1 303 . 1 . 1 63 63 ALA H H 1 8.763 0.020 . 1 . . . . . 189 ALA H . 51239 1 304 . 1 . 1 63 63 ALA C C 13 176.799 0.3 . 1 . . . . . 189 ALA C . 51239 1 305 . 1 . 1 63 63 ALA CA C 13 55.221 0.3 . 1 . . . . . 189 ALA CA . 51239 1 306 . 1 . 1 63 63 ALA CB C 13 17.787 0.3 . 1 . . . . . 189 ALA CB . 51239 1 307 . 1 . 1 63 63 ALA N N 15 123.261 0.3 . 1 . . . . . 189 ALA N . 51239 1 308 . 1 . 1 64 64 LEU H H 1 8.416 0.020 . 1 . . . . . 190 LEU H . 51239 1 309 . 1 . 1 64 64 LEU C C 13 176.612 0.3 . 1 . . . . . 190 LEU C . 51239 1 310 . 1 . 1 64 64 LEU CA C 13 58.191 0.3 . 1 . . . . . 190 LEU CA . 51239 1 311 . 1 . 1 64 64 LEU CB C 13 41.783 0.3 . 1 . . . . . 190 LEU CB . 51239 1 312 . 1 . 1 64 64 LEU N N 15 119.433 0.3 . 1 . . . . . 190 LEU N . 51239 1 313 . 1 . 1 65 65 TRP H H 1 8.221 0.020 . 1 . . . . . 191 TRP H . 51239 1 314 . 1 . 1 65 65 TRP HE1 H 1 10.047 0.020 . 1 . . . . . 191 TRP HE1 . 51239 1 315 . 1 . 1 65 65 TRP C C 13 176.786 0.3 . 1 . . . . . 191 TRP C . 51239 1 316 . 1 . 1 65 65 TRP CA C 13 59.313 0.3 . 1 . . . . . 191 TRP CA . 51239 1 317 . 1 . 1 65 65 TRP CB C 13 28.642 0.3 . 1 . . . . . 191 TRP CB . 51239 1 318 . 1 . 1 65 65 TRP N N 15 120.849 0.3 . 1 . . . . . 191 TRP N . 51239 1 319 . 1 . 1 65 65 TRP NE1 N 15 128.696 0.3 . 1 . . . . . 191 TRP NE1 . 51239 1 320 . 1 . 1 66 66 ALA H H 1 8.002 0.020 . 1 . . . . . 192 ALA H . 51239 1 321 . 1 . 1 66 66 ALA C C 13 177.497 0.3 . 1 . . . . . 192 ALA C . 51239 1 322 . 1 . 1 66 66 ALA CA C 13 55.843 0.3 . 1 . . . . . 192 ALA CA . 51239 1 323 . 1 . 1 66 66 ALA CB C 13 17.546 0.3 . 1 . . . . . 192 ALA CB . 51239 1 324 . 1 . 1 66 66 ALA N N 15 121.261 0.3 . 1 . . . . . 192 ALA N . 51239 1 325 . 1 . 1 67 67 LEU H H 1 8.489 0.020 . 1 . . . . . 193 LEU H . 51239 1 326 . 1 . 1 67 67 LEU C C 13 176.288 0.3 . 1 . . . . . 193 LEU C . 51239 1 327 . 1 . 1 67 67 LEU CA C 13 57.943 0.3 . 1 . . . . . 193 LEU CA . 51239 1 328 . 1 . 1 67 67 LEU CB C 13 42.114 0.3 . 1 . . . . . 193 LEU CB . 51239 1 329 . 1 . 1 67 67 LEU N N 15 117.561 0.3 . 1 . . . . . 193 LEU N . 51239 1 330 . 1 . 1 68 68 SER H H 1 8.794 0.020 . 1 . . . . . 194 SER H . 51239 1 331 . 1 . 1 68 68 SER C C 13 175.022 0.3 . 1 . . . . . 194 SER C . 51239 1 332 . 1 . 1 68 68 SER CA C 13 61.653 0.3 . 1 . . . . . 194 SER CA . 51239 1 333 . 1 . 1 68 68 SER CB C 13 63.225 0.3 . 1 . . . . . 194 SER CB . 51239 1 334 . 1 . 1 68 68 SER N N 15 114.589 0.3 . 1 . . . . . 194 SER N . 51239 1 335 . 1 . 1 69 69 ASN H H 1 7.711 0.020 . 1 . . . . . 195 ASN H . 51239 1 336 . 1 . 1 69 69 ASN C C 13 176.132 0.3 . 1 . . . . . 195 ASN C . 51239 1 337 . 1 . 1 69 69 ASN CA C 13 56.204 0.3 . 1 . . . . . 195 ASN CA . 51239 1 338 . 1 . 1 69 69 ASN CB C 13 38.037 0.3 . 1 . . . . . 195 ASN CB . 51239 1 339 . 1 . 1 69 69 ASN N N 15 118.032 0.3 . 1 . . . . . 195 ASN N . 51239 1 340 . 1 . 1 70 70 ILE H H 1 7.945 0.020 . 1 . . . . . 196 ILE H . 51239 1 341 . 1 . 1 70 70 ILE C C 13 174.451 0.3 . 1 . . . . . 196 ILE C . 51239 1 342 . 1 . 1 70 70 ILE CA C 13 64.978 0.3 . 1 . . . . . 196 ILE CA . 51239 1 343 . 1 . 1 70 70 ILE CB C 13 37.830 0.3 . 1 . . . . . 196 ILE CB . 51239 1 344 . 1 . 1 70 70 ILE N N 15 122.308 0.3 . 1 . . . . . 196 ILE N . 51239 1 345 . 1 . 1 71 71 ALA H H 1 8.336 0.020 . 1 . . . . . 197 ALA H . 51239 1 346 . 1 . 1 71 71 ALA C C 13 173.669 0.3 . 1 . . . . . 197 ALA C . 51239 1 347 . 1 . 1 71 71 ALA CA C 13 53.360 0.3 . 1 . . . . . 197 ALA CA . 51239 1 348 . 1 . 1 71 71 ALA CB C 13 18.320 0.3 . 1 . . . . . 197 ALA CB . 51239 1 349 . 1 . 1 71 71 ALA N N 15 118.333 0.3 . 1 . . . . . 197 ALA N . 51239 1 350 . 1 . 1 72 72 SER H H 1 7.242 0.020 . 1 . . . . . 198 SER H . 51239 1 351 . 1 . 1 72 72 SER C C 13 172.365 0.3 . 1 . . . . . 198 SER C . 51239 1 352 . 1 . 1 72 72 SER CA C 13 59.507 0.3 . 1 . . . . . 198 SER CA . 51239 1 353 . 1 . 1 72 72 SER CB C 13 63.636 0.3 . 1 . . . . . 198 SER CB . 51239 1 354 . 1 . 1 72 72 SER N N 15 111.746 0.3 . 1 . . . . . 198 SER N . 51239 1 355 . 1 . 1 73 73 GLY H H 1 7.853 0.020 . 1 . . . . . 199 GLY H . 51239 1 356 . 1 . 1 73 73 GLY HA2 H 1 4.291 0.020 . 2 . . . . . 199 GLY HA2 . 51239 1 357 . 1 . 1 73 73 GLY HA3 H 1 3.798 0.020 . 2 . . . . . 199 GLY HA3 . 51239 1 358 . 1 . 1 73 73 GLY C C 13 170.505 0.3 . 1 . . . . . 199 GLY C . 51239 1 359 . 1 . 1 73 73 GLY CA C 13 44.995 0.3 . 1 . . . . . 199 GLY CA . 51239 1 360 . 1 . 1 73 73 GLY N N 15 108.686 0.3 . 1 . . . . . 199 GLY N . 51239 1 361 . 1 . 1 74 74 GLY H H 1 7.875 0.020 . 1 . . . . . 200 GLY H . 51239 1 362 . 1 . 1 74 74 GLY C C 13 172.828 0.3 . 1 . . . . . 200 GLY C . 51239 1 363 . 1 . 1 74 74 GLY CA C 13 44.539 0.3 . 1 . . . . . 200 GLY CA . 51239 1 364 . 1 . 1 74 74 GLY N N 15 104.130 0.3 . 1 . . . . . 200 GLY N . 51239 1 365 . 1 . 1 75 75 ASN C C 13 175.781 0.3 . 1 . . . . . 201 ASN C . 51239 1 366 . 1 . 1 75 75 ASN CA C 13 57.335 0.3 . 1 . . . . . 201 ASN CA . 51239 1 367 . 1 . 1 75 75 ASN CB C 13 38.084 0.3 . 1 . . . . . 201 ASN CB . 51239 1 368 . 1 . 1 76 76 GLU H H 1 9.395 0.020 . 1 . . . . . 202 GLU H . 51239 1 369 . 1 . 1 76 76 GLU C C 13 176.986 0.3 . 1 . . . . . 202 GLU C . 51239 1 370 . 1 . 1 76 76 GLU CA C 13 59.857 0.3 . 1 . . . . . 202 GLU CA . 51239 1 371 . 1 . 1 76 76 GLU CB C 13 28.488 0.3 . 1 . . . . . 202 GLU CB . 51239 1 372 . 1 . 1 76 76 GLU N N 15 118.958 0.3 . 1 . . . . . 202 GLU N . 51239 1 373 . 1 . 1 77 77 GLN H H 1 7.409 0.020 . 1 . . . . . 203 GLN H . 51239 1 374 . 1 . 1 77 77 GLN C C 13 175.274 0.3 . 1 . . . . . 203 GLN C . 51239 1 375 . 1 . 1 77 77 GLN CA C 13 59.966 0.3 . 1 . . . . . 203 GLN CA . 51239 1 376 . 1 . 1 77 77 GLN CB C 13 26.815 0.3 . 1 . . . . . 203 GLN CB . 51239 1 377 . 1 . 1 77 77 GLN N N 15 121.198 0.3 . 1 . . . . . 203 GLN N . 51239 1 378 . 1 . 1 78 78 LYS H H 1 8.238 0.020 . 1 . . . . . 204 LYS H . 51239 1 379 . 1 . 1 78 78 LYS C C 13 176.896 0.3 . 1 . . . . . 204 LYS C . 51239 1 380 . 1 . 1 78 78 LYS CA C 13 60.583 0.3 . 1 . . . . . 204 LYS CA . 51239 1 381 . 1 . 1 78 78 LYS CB C 13 33.124 0.3 . 1 . . . . . 204 LYS CB . 51239 1 382 . 1 . 1 78 78 LYS N N 15 118.423 0.3 . 1 . . . . . 204 LYS N . 51239 1 383 . 1 . 1 79 79 GLN H H 1 8.143 0.020 . 1 . . . . . 205 GLN H . 51239 1 384 . 1 . 1 79 79 GLN C C 13 175.543 0.3 . 1 . . . . . 205 GLN C . 51239 1 385 . 1 . 1 79 79 GLN CA C 13 58.681 0.3 . 1 . . . . . 205 GLN CA . 51239 1 386 . 1 . 1 79 79 GLN CB C 13 27.507 0.3 . 1 . . . . . 205 GLN CB . 51239 1 387 . 1 . 1 79 79 GLN N N 15 117.718 0.3 . 1 . . . . . 205 GLN N . 51239 1 388 . 1 . 1 80 80 ALA H H 1 7.426 0.020 . 1 . . . . . 206 ALA H . 51239 1 389 . 1 . 1 80 80 ALA C C 13 178.372 0.3 . 1 . . . . . 206 ALA C . 51239 1 390 . 1 . 1 80 80 ALA CA C 13 55.040 0.3 . 1 . . . . . 206 ALA CA . 51239 1 391 . 1 . 1 80 80 ALA CB C 13 17.546 0.3 . 1 . . . . . 206 ALA CB . 51239 1 392 . 1 . 1 80 80 ALA N N 15 121.507 0.3 . 1 . . . . . 206 ALA N . 51239 1 393 . 1 . 1 81 81 VAL H H 1 7.593 0.020 . 1 . . . . . 207 VAL H . 51239 1 394 . 1 . 1 81 81 VAL HA H 1 3.399 0.020 . 1 . . . . . 207 VAL HA . 51239 1 395 . 1 . 1 81 81 VAL C C 13 175.626 0.3 . 1 . . . . . 207 VAL C . 51239 1 396 . 1 . 1 81 81 VAL CA C 13 66.916 0.3 . 1 . . . . . 207 VAL CA . 51239 1 397 . 1 . 1 81 81 VAL CB C 13 31.068 0.3 . 1 . . . . . 207 VAL CB . 51239 1 398 . 1 . 1 81 81 VAL N N 15 118.478 0.3 . 1 . . . . . 207 VAL N . 51239 1 399 . 1 . 1 82 82 LYS H H 1 7.884 0.020 . 1 . . . . . 208 LYS H . 51239 1 400 . 1 . 1 82 82 LYS C C 13 178.981 0.3 . 1 . . . . . 208 LYS C . 51239 1 401 . 1 . 1 82 82 LYS CA C 13 60.281 0.3 . 1 . . . . . 208 LYS CA . 51239 1 402 . 1 . 1 82 82 LYS CB C 13 31.894 0.3 . 1 . . . . . 208 LYS CB . 51239 1 403 . 1 . 1 82 82 LYS N N 15 119.051 0.3 . 1 . . . . . 208 LYS N . 51239 1 404 . 1 . 1 83 83 GLU H H 1 8.770 0.020 . 1 . . . . . 209 GLU H . 51239 1 405 . 1 . 1 83 83 GLU C C 13 174.996 0.3 . 1 . . . . . 209 GLU C . 51239 1 406 . 1 . 1 83 83 GLU CA C 13 58.733 0.3 . 1 . . . . . 209 GLU CA . 51239 1 407 . 1 . 1 83 83 GLU CB C 13 29.210 0.3 . 1 . . . . . 209 GLU CB . 51239 1 408 . 1 . 1 83 83 GLU N N 15 121.265 0.3 . 1 . . . . . 209 GLU N . 51239 1 409 . 1 . 1 84 84 ALA H H 1 7.363 0.020 . 1 . . . . . 210 ALA H . 51239 1 410 . 1 . 1 84 84 ALA HA H 1 4.355 0.020 . 1 . . . . . 210 ALA HA . 51239 1 411 . 1 . 1 84 84 ALA HB1 H 1 1.400 0.020 . 1 . . . . . 210 ALA HB . 51239 1 412 . 1 . 1 84 84 ALA HB2 H 1 1.400 0.020 . 1 . . . . . 210 ALA HB . 51239 1 413 . 1 . 1 84 84 ALA HB3 H 1 1.400 0.020 . 1 . . . . . 210 ALA HB . 51239 1 414 . 1 . 1 84 84 ALA C C 13 174.862 0.3 . 1 . . . . . 210 ALA C . 51239 1 415 . 1 . 1 84 84 ALA CA C 13 51.989 0.3 . 1 . . . . . 210 ALA CA . 51239 1 416 . 1 . 1 84 84 ALA CB C 13 18.840 0.3 . 1 . . . . . 210 ALA CB . 51239 1 417 . 1 . 1 84 84 ALA N N 15 118.678 0.3 . 1 . . . . . 210 ALA N . 51239 1 418 . 1 . 1 85 85 GLY H H 1 7.724 0.020 . 1 . . . . . 211 GLY H . 51239 1 419 . 1 . 1 85 85 GLY C C 13 174.119 0.3 . 1 . . . . . 211 GLY C . 51239 1 420 . 1 . 1 85 85 GLY CA C 13 45.417 0.3 . 1 . . . . . 211 GLY CA . 51239 1 421 . 1 . 1 85 85 GLY N N 15 103.582 0.3 . 1 . . . . . 211 GLY N . 51239 1 422 . 1 . 1 86 86 ALA H H 1 7.043 0.020 . 1 . . . . . 212 ALA H . 51239 1 423 . 1 . 1 86 86 ALA C C 13 176.483 0.3 . 1 . . . . . 212 ALA C . 51239 1 424 . 1 . 1 86 86 ALA CA C 13 55.017 0.3 . 1 . . . . . 212 ALA CA . 51239 1 425 . 1 . 1 86 86 ALA CB C 13 20.436 0.3 . 1 . . . . . 212 ALA CB . 51239 1 426 . 1 . 1 86 86 ALA N N 15 117.033 0.3 . 1 . . . . . 212 ALA N . 51239 1 427 . 1 . 1 87 87 LEU H H 1 8.874 0.020 . 1 . . . . . 213 LEU H . 51239 1 428 . 1 . 1 87 87 LEU C C 13 176.447 0.3 . 1 . . . . . 213 LEU C . 51239 1 429 . 1 . 1 87 87 LEU CA C 13 59.714 0.3 . 1 . . . . . 213 LEU CA . 51239 1 430 . 1 . 1 87 87 LEU CB C 13 40.359 0.3 . 1 . . . . . 213 LEU CB . 51239 1 431 . 1 . 1 87 87 LEU N N 15 115.955 0.3 . 1 . . . . . 213 LEU N . 51239 1 432 . 1 . 1 88 88 GLU H H 1 8.185 0.020 . 1 . . . . . 214 GLU H . 51239 1 433 . 1 . 1 88 88 GLU C C 13 177.105 0.3 . 1 . . . . . 214 GLU C . 51239 1 434 . 1 . 1 88 88 GLU CA C 13 59.662 0.3 . 1 . . . . . 214 GLU CA . 51239 1 435 . 1 . 1 88 88 GLU CB C 13 29.107 0.3 . 1 . . . . . 214 GLU CB . 51239 1 436 . 1 . 1 88 88 GLU N N 15 116.788 0.3 . 1 . . . . . 214 GLU N . 51239 1 437 . 1 . 1 89 89 LYS H H 1 6.732 0.020 . 1 . . . . . 215 LYS H . 51239 1 438 . 1 . 1 89 89 LYS C C 13 177.042 0.3 . 1 . . . . . 215 LYS C . 51239 1 439 . 1 . 1 89 89 LYS CA C 13 57.144 0.3 . 1 . . . . . 215 LYS CA . 51239 1 440 . 1 . 1 89 89 LYS CB C 13 32.551 0.3 . 1 . . . . . 215 LYS CB . 51239 1 441 . 1 . 1 89 89 LYS N N 15 115.478 0.3 . 1 . . . . . 215 LYS N . 51239 1 442 . 1 . 1 90 90 LEU H H 1 8.305 0.020 . 1 . . . . . 216 LEU H . 51239 1 443 . 1 . 1 90 90 LEU C C 13 176.896 0.3 . 1 . . . . . 216 LEU C . 51239 1 444 . 1 . 1 90 90 LEU CA C 13 58.118 0.3 . 1 . . . . . 216 LEU CA . 51239 1 445 . 1 . 1 90 90 LEU CB C 13 41.740 0.3 . 1 . . . . . 216 LEU CB . 51239 1 446 . 1 . 1 90 90 LEU N N 15 119.490 0.3 . 1 . . . . . 216 LEU N . 51239 1 447 . 1 . 1 91 91 GLU H H 1 8.259 0.020 . 1 . . . . . 217 GLU H . 51239 1 448 . 1 . 1 91 91 GLU C C 13 177.945 0.3 . 1 . . . . . 217 GLU C . 51239 1 449 . 1 . 1 91 91 GLU CA C 13 59.493 0.3 . 1 . . . . . 217 GLU CA . 51239 1 450 . 1 . 1 91 91 GLU CB C 13 29.433 0.3 . 1 . . . . . 217 GLU CB . 51239 1 451 . 1 . 1 91 91 GLU N N 15 117.696 0.3 . 1 . . . . . 217 GLU N . 51239 1 452 . 1 . 1 92 92 GLN H H 1 7.317 0.020 . 1 . . . . . 218 GLN H . 51239 1 453 . 1 . 1 92 92 GLN C C 13 176.638 0.3 . 1 . . . . . 218 GLN C . 51239 1 454 . 1 . 1 92 92 GLN CA C 13 58.318 0.3 . 1 . . . . . 218 GLN CA . 51239 1 455 . 1 . 1 92 92 GLN CB C 13 28.265 0.3 . 1 . . . . . 218 GLN CB . 51239 1 456 . 1 . 1 92 92 GLN N N 15 118.015 0.3 . 1 . . . . . 218 GLN N . 51239 1 457 . 1 . 1 93 93 LEU H H 1 7.778 0.020 . 1 . . . . . 219 LEU H . 51239 1 458 . 1 . 1 93 93 LEU C C 13 175.368 0.3 . 1 . . . . . 219 LEU C . 51239 1 459 . 1 . 1 93 93 LEU CA C 13 56.410 0.3 . 1 . . . . . 219 LEU CA . 51239 1 460 . 1 . 1 93 93 LEU CB C 13 42.372 0.3 . 1 . . . . . 219 LEU CB . 51239 1 461 . 1 . 1 93 93 LEU N N 15 119.433 0.3 . 1 . . . . . 219 LEU N . 51239 1 462 . 1 . 1 94 94 GLN H H 1 7.456 0.020 . 1 . . . . . 220 GLN H . 51239 1 463 . 1 . 1 94 94 GLN C C 13 173.499 0.3 . 1 . . . . . 220 GLN C . 51239 1 464 . 1 . 1 94 94 GLN CA C 13 58.527 0.3 . 1 . . . . . 220 GLN CA . 51239 1 465 . 1 . 1 94 94 GLN CB C 13 28.952 0.3 . 1 . . . . . 220 GLN CB . 51239 1 466 . 1 . 1 94 94 GLN N N 15 116.081 0.3 . 1 . . . . . 220 GLN N . 51239 1 467 . 1 . 1 95 95 SER H H 1 7.502 0.020 . 1 . . . . . 221 SER H . 51239 1 468 . 1 . 1 95 95 SER HA H 1 4.605 0.020 . 1 . . . . . 221 SER HA . 51239 1 469 . 1 . 1 95 95 SER C C 13 171.806 0.3 . 1 . . . . . 221 SER C . 51239 1 470 . 1 . 1 95 95 SER CA C 13 56.978 0.3 . 1 . . . . . 221 SER CA . 51239 1 471 . 1 . 1 95 95 SER CB C 13 63.533 0.3 . 1 . . . . . 221 SER CB . 51239 1 472 . 1 . 1 95 95 SER N N 15 110.865 0.3 . 1 . . . . . 221 SER N . 51239 1 473 . 1 . 1 96 96 HIS H H 1 7.531 0.020 . 1 . . . . . 222 HIS H . 51239 1 474 . 1 . 1 96 96 HIS HA H 1 3.896 0.020 . 1 . . . . . 222 HIS HA . 51239 1 475 . 1 . 1 96 96 HIS HB2 H 1 3.215 0.020 . 2 . . . . . 222 HIS HB2 . 51239 1 476 . 1 . 1 96 96 HIS HB3 H 1 2.786 0.020 . 2 . . . . . 222 HIS HB3 . 51239 1 477 . 1 . 1 96 96 HIS C C 13 172.498 0.3 . 1 . . . . . 222 HIS C . 51239 1 478 . 1 . 1 96 96 HIS CA C 13 59.681 0.3 . 1 . . . . . 222 HIS CA . 51239 1 479 . 1 . 1 96 96 HIS CB C 13 31.845 0.3 . 1 . . . . . 222 HIS CB . 51239 1 480 . 1 . 1 96 96 HIS N N 15 124.970 0.3 . 1 . . . . . 222 HIS N . 51239 1 481 . 1 . 1 97 97 GLU H H 1 7.892 0.020 . 1 . . . . . 223 GLU H . 51239 1 482 . 1 . 1 97 97 GLU HA H 1 3.949 0.020 . 1 . . . . . 223 GLU HA . 51239 1 483 . 1 . 1 97 97 GLU C C 13 174.924 0.3 . 1 . . . . . 223 GLU C . 51239 1 484 . 1 . 1 97 97 GLU CA C 13 58.713 0.3 . 1 . . . . . 223 GLU CA . 51239 1 485 . 1 . 1 97 97 GLU CB C 13 29.815 0.3 . 1 . . . . . 223 GLU CB . 51239 1 486 . 1 . 1 97 97 GLU N N 15 123.946 0.3 . 1 . . . . . 223 GLU N . 51239 1 487 . 1 . 1 98 98 ASN H H 1 11.447 0.020 . 1 . . . . . 224 ASN H . 51239 1 488 . 1 . 1 98 98 ASN HA H 1 4.723 0.020 . 1 . . . . . 224 ASN HA . 51239 1 489 . 1 . 1 98 98 ASN HB2 H 1 3.298 0.020 . 2 . . . . . 224 ASN HB2 . 51239 1 490 . 1 . 1 98 98 ASN HB3 H 1 2.936 0.020 . 2 . . . . . 224 ASN HB3 . 51239 1 491 . 1 . 1 98 98 ASN HD21 H 1 7.970 0.020 . 1 . . . . . 224 ASN HD21 . 51239 1 492 . 1 . 1 98 98 ASN HD22 H 1 6.873 0.020 . 1 . . . . . 224 ASN HD22 . 51239 1 493 . 1 . 1 98 98 ASN C C 13 174.026 0.3 . 1 . . . . . 224 ASN C . 51239 1 494 . 1 . 1 98 98 ASN CA C 13 53.126 0.3 . 1 . . . . . 224 ASN CA . 51239 1 495 . 1 . 1 98 98 ASN CB C 13 38.757 0.3 . 1 . . . . . 224 ASN CB . 51239 1 496 . 1 . 1 98 98 ASN N N 15 124.463 0.3 . 1 . . . . . 224 ASN N . 51239 1 497 . 1 . 1 98 98 ASN ND2 N 15 113.056 0.3 . 1 . . . . . 224 ASN ND2 . 51239 1 498 . 1 . 1 99 99 GLU H H 1 8.960 0.020 . 1 . . . . . 225 GLU H . 51239 1 499 . 1 . 1 99 99 GLU C C 13 175.771 0.3 . 1 . . . . . 225 GLU C . 51239 1 500 . 1 . 1 99 99 GLU CA C 13 59.507 0.3 . 1 . . . . . 225 GLU CA . 51239 1 501 . 1 . 1 99 99 GLU CB C 13 29.675 0.3 . 1 . . . . . 225 GLU CB . 51239 1 502 . 1 . 1 99 99 GLU N N 15 127.719 0.3 . 1 . . . . . 225 GLU N . 51239 1 503 . 1 . 1 100 100 LYS H H 1 8.146 0.020 . 1 . . . . . 226 LYS H . 51239 1 504 . 1 . 1 100 100 LYS C C 13 177.066 0.3 . 1 . . . . . 226 LYS C . 51239 1 505 . 1 . 1 100 100 LYS CA C 13 59.198 0.3 . 1 . . . . . 226 LYS CA . 51239 1 506 . 1 . 1 100 100 LYS CB C 13 31.946 0.3 . 1 . . . . . 226 LYS CB . 51239 1 507 . 1 . 1 100 100 LYS N N 15 119.393 0.3 . 1 . . . . . 226 LYS N . 51239 1 508 . 1 . 1 101 101 ILE H H 1 7.146 0.020 . 1 . . . . . 227 ILE H . 51239 1 509 . 1 . 1 101 101 ILE C C 13 174.842 0.3 . 1 . . . . . 227 ILE C . 51239 1 510 . 1 . 1 101 101 ILE CA C 13 63.997 0.3 . 1 . . . . . 227 ILE CA . 51239 1 511 . 1 . 1 101 101 ILE CB C 13 36.436 0.3 . 1 . . . . . 227 ILE CB . 51239 1 512 . 1 . 1 101 101 ILE N N 15 120.190 0.3 . 1 . . . . . 227 ILE N . 51239 1 513 . 1 . 1 102 102 GLN H H 1 8.028 0.020 . 1 . . . . . 228 GLN H . 51239 1 514 . 1 . 1 102 102 GLN C C 13 176.719 0.3 . 1 . . . . . 228 GLN C . 51239 1 515 . 1 . 1 102 102 GLN CA C 13 59.673 0.3 . 1 . . . . . 228 GLN CA . 51239 1 516 . 1 . 1 102 102 GLN CB C 13 28.716 0.3 . 1 . . . . . 228 GLN CB . 51239 1 517 . 1 . 1 102 102 GLN N N 15 117.955 0.3 . 1 . . . . . 228 GLN N . 51239 1 518 . 1 . 1 103 103 LYS H H 1 7.746 0.020 . 1 . . . . . 229 LYS H . 51239 1 519 . 1 . 1 103 103 LYS C C 13 177.067 0.3 . 1 . . . . . 229 LYS C . 51239 1 520 . 1 . 1 103 103 LYS CA C 13 59.110 0.3 . 1 . . . . . 229 LYS CA . 51239 1 521 . 1 . 1 103 103 LYS CB C 13 32.375 0.3 . 1 . . . . . 229 LYS CB . 51239 1 522 . 1 . 1 103 103 LYS N N 15 117.365 0.3 . 1 . . . . . 229 LYS N . 51239 1 523 . 1 . 1 104 104 GLU H H 1 7.928 0.020 . 1 . . . . . 230 GLU H . 51239 1 524 . 1 . 1 104 104 GLU HA H 1 4.070 0.020 . 1 . . . . . 230 GLU HA . 51239 1 525 . 1 . 1 104 104 GLU C C 13 177.498 0.3 . 1 . . . . . 230 GLU C . 51239 1 526 . 1 . 1 104 104 GLU CA C 13 58.606 0.3 . 1 . . . . . 230 GLU CA . 51239 1 527 . 1 . 1 104 104 GLU CB C 13 29.417 0.3 . 1 . . . . . 230 GLU CB . 51239 1 528 . 1 . 1 104 104 GLU N N 15 119.493 0.3 . 1 . . . . . 230 GLU N . 51239 1 529 . 1 . 1 105 105 ALA H H 1 8.801 0.020 . 1 . . . . . 231 ALA H . 51239 1 530 . 1 . 1 105 105 ALA HA H 1 3.967 0.020 . 1 . . . . . 231 ALA HA . 51239 1 531 . 1 . 1 105 105 ALA HB1 H 1 1.365 0.020 . 1 . . . . . 231 ALA HB . 51239 1 532 . 1 . 1 105 105 ALA HB2 H 1 1.365 0.020 . 1 . . . . . 231 ALA HB . 51239 1 533 . 1 . 1 105 105 ALA HB3 H 1 1.365 0.020 . 1 . . . . . 231 ALA HB . 51239 1 534 . 1 . 1 105 105 ALA C C 13 176.758 0.3 . 1 . . . . . 231 ALA C . 51239 1 535 . 1 . 1 105 105 ALA CA C 13 55.352 0.3 . 1 . . . . . 231 ALA CA . 51239 1 536 . 1 . 1 105 105 ALA CB C 13 18.264 0.3 . 1 . . . . . 231 ALA CB . 51239 1 537 . 1 . 1 105 105 ALA N N 15 122.271 0.3 . 1 . . . . . 231 ALA N . 51239 1 538 . 1 . 1 106 106 GLN H H 1 8.094 0.020 . 1 . . . . . 232 GLN H . 51239 1 539 . 1 . 1 106 106 GLN HA H 1 3.964 0.020 . 1 . . . . . 232 GLN HA . 51239 1 540 . 1 . 1 106 106 GLN C C 13 176.427 0.3 . 1 . . . . . 232 GLN C . 51239 1 541 . 1 . 1 106 106 GLN CA C 13 59.303 0.3 . 1 . . . . . 232 GLN CA . 51239 1 542 . 1 . 1 106 106 GLN CB C 13 28.126 0.3 . 1 . . . . . 232 GLN CB . 51239 1 543 . 1 . 1 106 106 GLN N N 15 117.972 0.3 . 1 . . . . . 232 GLN N . 51239 1 544 . 1 . 1 107 107 GLU H H 1 8.151 0.020 . 1 . . . . . 233 GLU H . 51239 1 545 . 1 . 1 107 107 GLU HA H 1 3.996 0.020 . 1 . . . . . 233 GLU HA . 51239 1 546 . 1 . 1 107 107 GLU C C 13 176.960 0.3 . 1 . . . . . 233 GLU C . 51239 1 547 . 1 . 1 107 107 GLU CA C 13 59.416 0.3 . 1 . . . . . 233 GLU CA . 51239 1 548 . 1 . 1 107 107 GLU CB C 13 29.427 0.3 . 1 . . . . . 233 GLU CB . 51239 1 549 . 1 . 1 107 107 GLU N N 15 119.298 0.3 . 1 . . . . . 233 GLU N . 51239 1 550 . 1 . 1 108 108 ALA H H 1 8.068 0.020 . 1 . . . . . 234 ALA H . 51239 1 551 . 1 . 1 108 108 ALA HA H 1 3.919 0.020 . 1 . . . . . 234 ALA HA . 51239 1 552 . 1 . 1 108 108 ALA HB1 H 1 1.327 0.020 . 1 . . . . . 234 ALA HB . 51239 1 553 . 1 . 1 108 108 ALA HB2 H 1 1.327 0.020 . 1 . . . . . 234 ALA HB . 51239 1 554 . 1 . 1 108 108 ALA HB3 H 1 1.327 0.020 . 1 . . . . . 234 ALA HB . 51239 1 555 . 1 . 1 108 108 ALA C C 13 176.720 0.3 . 1 . . . . . 234 ALA C . 51239 1 556 . 1 . 1 108 108 ALA CA C 13 55.126 0.3 . 1 . . . . . 234 ALA CA . 51239 1 557 . 1 . 1 108 108 ALA CB C 13 17.496 0.3 . 1 . . . . . 234 ALA CB . 51239 1 558 . 1 . 1 108 108 ALA N N 15 121.655 0.3 . 1 . . . . . 234 ALA N . 51239 1 559 . 1 . 1 109 109 LEU H H 1 8.173 0.020 . 1 . . . . . 235 LEU H . 51239 1 560 . 1 . 1 109 109 LEU HA H 1 3.758 0.020 . 1 . . . . . 235 LEU HA . 51239 1 561 . 1 . 1 109 109 LEU HB2 H 1 1.685 0.020 . 1 . . . . . 235 LEU HB2 . 51239 1 562 . 1 . 1 109 109 LEU HB3 H 1 1.685 0.020 . 1 . . . . . 235 LEU HB3 . 51239 1 563 . 1 . 1 109 109 LEU HD11 H 1 0.783 0.020 . 2 . . . . . 235 LEU HD1 . 51239 1 564 . 1 . 1 109 109 LEU HD12 H 1 0.783 0.020 . 2 . . . . . 235 LEU HD1 . 51239 1 565 . 1 . 1 109 109 LEU HD13 H 1 0.783 0.020 . 2 . . . . . 235 LEU HD1 . 51239 1 566 . 1 . 1 109 109 LEU HD21 H 1 0.619 0.020 . 2 . . . . . 235 LEU HD2 . 51239 1 567 . 1 . 1 109 109 LEU HD22 H 1 0.619 0.020 . 2 . . . . . 235 LEU HD2 . 51239 1 568 . 1 . 1 109 109 LEU HD23 H 1 0.619 0.020 . 2 . . . . . 235 LEU HD2 . 51239 1 569 . 1 . 1 109 109 LEU C C 13 176.875 0.3 . 1 . . . . . 235 LEU C . 51239 1 570 . 1 . 1 109 109 LEU CA C 13 58.317 0.3 . 1 . . . . . 235 LEU CA . 51239 1 571 . 1 . 1 109 109 LEU CB C 13 41.888 0.3 . 1 . . . . . 235 LEU CB . 51239 1 572 . 1 . 1 109 109 LEU CG C 13 27.000 0.3 . 1 . . . . . 235 LEU CG . 51239 1 573 . 1 . 1 109 109 LEU CD1 C 13 25.164 0.3 . 1 . . . . . 235 LEU CD1 . 51239 1 574 . 1 . 1 109 109 LEU N N 15 118.270 0.3 . 1 . . . . . 235 LEU N . 51239 1 575 . 1 . 1 110 110 GLU H H 1 8.022 0.020 . 1 . . . . . 236 GLU H . 51239 1 576 . 1 . 1 110 110 GLU HA H 1 3.945 0.020 . 1 . . . . . 236 GLU HA . 51239 1 577 . 1 . 1 110 110 GLU C C 13 177.722 0.3 . 1 . . . . . 236 GLU C . 51239 1 578 . 1 . 1 110 110 GLU CA C 13 59.349 0.3 . 1 . . . . . 236 GLU CA . 51239 1 579 . 1 . 1 110 110 GLU CB C 13 29.202 0.3 . 1 . . . . . 236 GLU CB . 51239 1 580 . 1 . 1 110 110 GLU N N 15 118.572 0.3 . 1 . . . . . 236 GLU N . 51239 1 581 . 1 . 1 111 111 LYS H H 1 7.746 0.020 . 1 . . . . . 237 LYS H . 51239 1 582 . 1 . 1 111 111 LYS HA H 1 4.020 0.020 . 1 . . . . . 237 LYS HA . 51239 1 583 . 1 . 1 111 111 LYS C C 13 176.679 0.3 . 1 . . . . . 237 LYS C . 51239 1 584 . 1 . 1 111 111 LYS CA C 13 59.290 0.3 . 1 . . . . . 237 LYS CA . 51239 1 585 . 1 . 1 111 111 LYS CB C 13 32.939 0.3 . 1 . . . . . 237 LYS CB . 51239 1 586 . 1 . 1 111 111 LYS N N 15 118.523 0.3 . 1 . . . . . 237 LYS N . 51239 1 587 . 1 . 1 112 112 LEU H H 1 7.769 0.020 . 1 . . . . . 238 LEU H . 51239 1 588 . 1 . 1 112 112 LEU HA H 1 4.068 0.020 . 1 . . . . . 238 LEU HA . 51239 1 589 . 1 . 1 112 112 LEU HB2 H 1 1.831 0.020 . 1 . . . . . 238 LEU HB2 . 51239 1 590 . 1 . 1 112 112 LEU HB3 H 1 1.831 0.020 . 1 . . . . . 238 LEU HB3 . 51239 1 591 . 1 . 1 112 112 LEU HG H 1 1.412 0.020 . 1 . . . . . 238 LEU HG . 51239 1 592 . 1 . 1 112 112 LEU HD11 H 1 0.789 0.020 . 2 . . . . . 238 LEU HD1 . 51239 1 593 . 1 . 1 112 112 LEU HD12 H 1 0.789 0.020 . 2 . . . . . 238 LEU HD1 . 51239 1 594 . 1 . 1 112 112 LEU HD13 H 1 0.789 0.020 . 2 . . . . . 238 LEU HD1 . 51239 1 595 . 1 . 1 112 112 LEU HD21 H 1 0.637 0.020 . 2 . . . . . 238 LEU HD2 . 51239 1 596 . 1 . 1 112 112 LEU HD22 H 1 0.637 0.020 . 2 . . . . . 238 LEU HD2 . 51239 1 597 . 1 . 1 112 112 LEU HD23 H 1 0.637 0.020 . 2 . . . . . 238 LEU HD2 . 51239 1 598 . 1 . 1 112 112 LEU C C 13 174.800 0.3 . 1 . . . . . 238 LEU C . 51239 1 599 . 1 . 1 112 112 LEU CA C 13 56.405 0.3 . 1 . . . . . 238 LEU CA . 51239 1 600 . 1 . 1 112 112 LEU CB C 13 42.719 0.3 . 1 . . . . . 238 LEU CB . 51239 1 601 . 1 . 1 112 112 LEU CG C 13 25.214 0.3 . 1 . . . . . 238 LEU CG . 51239 1 602 . 1 . 1 112 112 LEU CD1 C 13 23.639 0.3 . 1 . . . . . 238 LEU CD1 . 51239 1 603 . 1 . 1 112 112 LEU CD2 C 13 25.772 0.3 . 1 . . . . . 238 LEU CD2 . 51239 1 604 . 1 . 1 112 112 LEU N N 15 117.047 0.3 . 1 . . . . . 238 LEU N . 51239 1 605 . 1 . 1 113 113 GLN H H 1 7.646 0.020 . 1 . . . . . 239 GLN H . 51239 1 606 . 1 . 1 113 113 GLN HA H 1 4.351 0.020 . 1 . . . . . 239 GLN HA . 51239 1 607 . 1 . 1 113 113 GLN HB2 H 1 2.078 0.020 . 2 . . . . . 239 GLN HB2 . 51239 1 608 . 1 . 1 113 113 GLN HB3 H 1 1.963 0.020 . 2 . . . . . 239 GLN HB3 . 51239 1 609 . 1 . 1 113 113 GLN HG2 H 1 2.414 0.020 . 2 . . . . . 239 GLN HG2 . 51239 1 610 . 1 . 1 113 113 GLN HG3 H 1 2.267 0.020 . 2 . . . . . 239 GLN HG3 . 51239 1 611 . 1 . 1 113 113 GLN C C 13 173.747 0.3 . 1 . . . . . 239 GLN C . 51239 1 612 . 1 . 1 113 113 GLN CA C 13 55.887 0.3 . 1 . . . . . 239 GLN CA . 51239 1 613 . 1 . 1 113 113 GLN CB C 13 29.359 0.3 . 1 . . . . . 239 GLN CB . 51239 1 614 . 1 . 1 113 113 GLN CG C 13 33.767 0.3 . 1 . . . . . 239 GLN CG . 51239 1 615 . 1 . 1 113 113 GLN N N 15 116.054 0.3 . 1 . . . . . 239 GLN N . 51239 1 616 . 1 . 1 114 114 SER H H 1 7.703 0.020 . 1 . . . . . 240 SER H . 51239 1 617 . 1 . 1 114 114 SER HA H 1 4.365 0.020 . 1 . . . . . 240 SER HA . 51239 1 618 . 1 . 1 114 114 SER HB2 H 1 3.877 0.020 . 1 . . . . . 240 SER HB2 . 51239 1 619 . 1 . 1 114 114 SER HB3 H 1 3.877 0.020 . 1 . . . . . 240 SER HB3 . 51239 1 620 . 1 . 1 114 114 SER C C 13 171.213 0.3 . 1 . . . . . 240 SER C . 51239 1 621 . 1 . 1 114 114 SER CA C 13 58.334 0.3 . 1 . . . . . 240 SER CA . 51239 1 622 . 1 . 1 114 114 SER CB C 13 63.716 0.3 . 1 . . . . . 240 SER CB . 51239 1 623 . 1 . 1 114 114 SER N N 15 116.322 0.3 . 1 . . . . . 240 SER N . 51239 1 624 . 1 . 1 115 115 HIS H H 1 8.029 0.020 . 1 . . . . . 241 HIS H . 51239 1 625 . 1 . 1 115 115 HIS HA H 1 4.467 0.020 . 1 . . . . . 241 HIS HA . 51239 1 626 . 1 . 1 115 115 HIS HB2 H 1 3.175 0.020 . 2 . . . . . 241 HIS HB2 . 51239 1 627 . 1 . 1 115 115 HIS HB3 H 1 3.032 0.020 . 2 . . . . . 241 HIS HB3 . 51239 1 628 . 1 . 1 115 115 HIS C C 13 177.340 0.3 . 1 . . . . . 241 HIS C . 51239 1 629 . 1 . 1 115 115 HIS CA C 13 57.037 0.3 . 1 . . . . . 241 HIS CA . 51239 1 630 . 1 . 1 115 115 HIS CB C 13 30.532 0.3 . 1 . . . . . 241 HIS CB . 51239 1 631 . 1 . 1 115 115 HIS N N 15 125.824 0.3 . 1 . . . . . 241 HIS N . 51239 1 stop_ save_