data_6476 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6476 _Entry.Title ; Full 1H, 13C and 15N Chemical Shift Assignments for the GII loop mutant domain (GII-L) of the yeast linker histone, Hho1p ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-02-01 _Entry.Accession_date 2005-02-01 _Entry.Last_release_date 2005-09-22 _Entry.Original_release_date 2005-09-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andrew Sanderson . . . 6476 2 Katherine Stott . . . 6476 3 Timothy Stevens . J. . 6476 4 Jean Thomas . O. . 6476 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6476 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 403 6476 '15N chemical shifts' 88 6476 '1H chemical shifts' 636 6476 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-09-22 2005-02-01 original author . 6476 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6161 'GI domain of Hho1p' 6476 BMRB 6162 'GII domain of Hho1p' 6476 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6476 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15878177 _Citation.Full_citation . _Citation.Title ; Engineering the structural stability and functional properties of the GI domain into the intrinsically unfolded GII domain of the yeast linker histone Hho1p. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 349 _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 608 _Citation.Page_last 620 _Citation.Year 2005 _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.Entry_ID _Citation_author.Citation_ID 1 Andrew Sanderson . . . 6476 1 2 Katherine Stott . . . 6476 1 3 Timothy Stevens . J. . 6476 1 4 Jean Thomas . O. . 6476 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 6476 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6476 _Assembly.ID 1 _Assembly.Name 'GII loop mutant, GII-L' _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 'all free' _Assembly.Molecular_mass 9537 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6476 1 stop_ 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 GII-L 1 $GII-L . . . native . . . . . 6476 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'GII loop mutant, GII-L' abbreviation 6476 1 'GII loop mutant, GII-L' system 6476 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GII-L _Entity.Sf_category entity _Entity.Sf_framecode GII-L _Entity.Entry_ID 6476 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GII-L _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 ; KASSPSSLTYKEMILKSMPQ LNDGKGSSRIVLKKYVKDTY PIVGSASNFDYLFNSAIKKC VENGELVQPKGPSGIIKLNK KKVKLST ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9537 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1YQA . "Engineering The Structural Stability And Functional Properties Of The Gi Domain Into The Intrinsically Unfolded Gii Domain Of T" . . . . . 100.00 87 100.00 100.00 5.22e-53 . . . . 6476 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GII-L abbreviation 6476 1 GII-L common 6476 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 1 171 LYS . 6476 1 2 172 ALA . 6476 1 3 173 SER . 6476 1 4 174 SER . 6476 1 5 175 PRO . 6476 1 6 176 SER . 6476 1 7 177 SER . 6476 1 8 178 LEU . 6476 1 9 179 THR . 6476 1 10 180 TYR . 6476 1 11 181 LYS . 6476 1 12 182 GLU . 6476 1 13 183 MET . 6476 1 14 184 ILE . 6476 1 15 185 LEU . 6476 1 16 186 LYS . 6476 1 17 187 SER . 6476 1 18 188 MET . 6476 1 19 189 PRO . 6476 1 20 190 GLN . 6476 1 21 191 LEU . 6476 1 22 192 ASN . 6476 1 23 193 ASP . 6476 1 24 194 GLY . 6476 1 25 195 LYS . 6476 1 26 196 GLY . 6476 1 27 197 SER . 6476 1 28 198 SER . 6476 1 29 199 ARG . 6476 1 30 200 ILE . 6476 1 31 201 VAL . 6476 1 32 202 LEU . 6476 1 33 203 LYS . 6476 1 34 204 LYS . 6476 1 35 205 TYR . 6476 1 36 206 VAL . 6476 1 37 207 LYS . 6476 1 38 208 ASP . 6476 1 39 209 THR . 6476 1 40 210 TYR . 6476 1 41 211 PRO . 6476 1 42 212 ILE . 6476 1 43 213 VAL . 6476 1 44 214 GLY . 6476 1 45 215 SER . 6476 1 46 216 ALA . 6476 1 47 217 SER . 6476 1 48 218 ASN . 6476 1 49 219 PHE . 6476 1 50 220 ASP . 6476 1 51 221 TYR . 6476 1 52 222 LEU . 6476 1 53 223 PHE . 6476 1 54 224 ASN . 6476 1 55 225 SER . 6476 1 56 226 ALA . 6476 1 57 227 ILE . 6476 1 58 228 LYS . 6476 1 59 229 LYS . 6476 1 60 230 CYS . 6476 1 61 231 VAL . 6476 1 62 232 GLU . 6476 1 63 233 ASN . 6476 1 64 234 GLY . 6476 1 65 235 GLU . 6476 1 66 236 LEU . 6476 1 67 237 VAL . 6476 1 68 238 GLN . 6476 1 69 239 PRO . 6476 1 70 240 LYS . 6476 1 71 241 GLY . 6476 1 72 242 PRO . 6476 1 73 243 SER . 6476 1 74 244 GLY . 6476 1 75 245 ILE . 6476 1 76 246 ILE . 6476 1 77 247 LYS . 6476 1 78 248 LEU . 6476 1 79 249 ASN . 6476 1 80 250 LYS . 6476 1 81 251 LYS . 6476 1 82 252 LYS . 6476 1 83 253 VAL . 6476 1 84 254 LYS . 6476 1 85 255 LEU . 6476 1 86 256 SER . 6476 1 87 257 THR . 6476 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 . LYS 1 1 6476 1 . ALA 2 2 6476 1 . SER 3 3 6476 1 . SER 4 4 6476 1 . PRO 5 5 6476 1 . SER 6 6 6476 1 . SER 7 7 6476 1 . LEU 8 8 6476 1 . THR 9 9 6476 1 . TYR 10 10 6476 1 . LYS 11 11 6476 1 . GLU 12 12 6476 1 . MET 13 13 6476 1 . ILE 14 14 6476 1 . LEU 15 15 6476 1 . LYS 16 16 6476 1 . SER 17 17 6476 1 . MET 18 18 6476 1 . PRO 19 19 6476 1 . GLN 20 20 6476 1 . LEU 21 21 6476 1 . ASN 22 22 6476 1 . ASP 23 23 6476 1 . GLY 24 24 6476 1 . LYS 25 25 6476 1 . GLY 26 26 6476 1 . SER 27 27 6476 1 . SER 28 28 6476 1 . ARG 29 29 6476 1 . ILE 30 30 6476 1 . VAL 31 31 6476 1 . LEU 32 32 6476 1 . LYS 33 33 6476 1 . LYS 34 34 6476 1 . TYR 35 35 6476 1 . VAL 36 36 6476 1 . LYS 37 37 6476 1 . ASP 38 38 6476 1 . THR 39 39 6476 1 . TYR 40 40 6476 1 . PRO 41 41 6476 1 . ILE 42 42 6476 1 . VAL 43 43 6476 1 . GLY 44 44 6476 1 . SER 45 45 6476 1 . ALA 46 46 6476 1 . SER 47 47 6476 1 . ASN 48 48 6476 1 . PHE 49 49 6476 1 . ASP 50 50 6476 1 . TYR 51 51 6476 1 . LEU 52 52 6476 1 . PHE 53 53 6476 1 . ASN 54 54 6476 1 . SER 55 55 6476 1 . ALA 56 56 6476 1 . ILE 57 57 6476 1 . LYS 58 58 6476 1 . LYS 59 59 6476 1 . CYS 60 60 6476 1 . VAL 61 61 6476 1 . GLU 62 62 6476 1 . ASN 63 63 6476 1 . GLY 64 64 6476 1 . GLU 65 65 6476 1 . LEU 66 66 6476 1 . VAL 67 67 6476 1 . GLN 68 68 6476 1 . PRO 69 69 6476 1 . LYS 70 70 6476 1 . GLY 71 71 6476 1 . PRO 72 72 6476 1 . SER 73 73 6476 1 . GLY 74 74 6476 1 . ILE 75 75 6476 1 . ILE 76 76 6476 1 . LYS 77 77 6476 1 . LEU 78 78 6476 1 . ASN 79 79 6476 1 . LYS 80 80 6476 1 . LYS 81 81 6476 1 . LYS 82 82 6476 1 . VAL 83 83 6476 1 . LYS 84 84 6476 1 . LEU 85 85 6476 1 . SER 86 86 6476 1 . THR 87 87 6476 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 6476 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $GII-L . 4932 organism . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 6476 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 6476 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $GII-L . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 DE3 . . . . . . . . . . . Plasmid . . pET17b . . . . . . 6476 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6476 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 GII-L '[U-13C; U-15N]' . . 1 $GII-L . . 1 . . mM . . . . 6476 1 2 'sodium phosphate buffer' . . . . . . . 100 . . mM . . . . 6476 1 3 EDTA . . . . . . . 1 . . mM . . . . 6476 1 4 DTT [U-2H] . . . . . . . 1 2 mM . . . . 6476 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6476 _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 pH 7.0 0.1 pH 6476 1 temperature 288 0.1 K 6476 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectormeter_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectormeter_1 _NMR_spectrometer.Entry_ID 6476 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Burker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6476 _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 spectormeter_1 Burker DRX . 500 . . . 6476 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 6476 _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 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectormeter_1 . . . . . . . . . . . . . . . . 6476 1 2 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectormeter_1 . . . . . . . . . . . . . . . . 6476 1 3 CBCACONH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectormeter_1 . . . . . . . . . . . . . . . . 6476 1 4 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectormeter_1 . . . . . . . . . . . . . . . . 6476 1 5 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectormeter_1 . . . . . . . . . . . . . . . . 6476 1 6 (H)CC(CO)NH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectormeter_1 . . . . . . . . . . . . . . . . 6476 1 7 TOCSY-15N-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectormeter_1 . . . . . . . . . . . . . . . . 6476 1 8 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectormeter_1 . . . . . . . . . . . . . . . . 6476 1 9 NOESY-15N-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectormeter_1 . . . . . . . . . . . . . . . . 6476 1 10 NOESY-13C-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectormeter_1 . . . . . . . . . . . . . . . . 6476 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6476 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectormeter_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6476 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectormeter_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6476 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectormeter_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6476 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectormeter_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6476 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectormeter_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6476 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name (H)CC(CO)NH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectormeter_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6476 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name TOCSY-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectormeter_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6476 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectormeter_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6476 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name NOESY-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectormeter_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6476 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name NOESY-13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectormeter_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6476 _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 0.0 . indirect . . . 0.251449530 1 $entry_citation . . 1 $entry_citation 6476 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . 1.0 1 $entry_citation . . 1 $entry_citation 6476 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect . . . 0.101329118 1 $entry_citation . . 1 $entry_citation 6476 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6476 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 . 6476 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 1 1 LYS C C 13 177.034 0.000 . 1 . . . . . . . . 6476 1 2 . 1 1 1 1 LYS CB C 13 33.036 0.048 . 1 . . . . . . . . 6476 1 3 . 1 1 1 1 LYS CA C 13 56.093 0.039 . 1 . . . . . . . . 6476 1 4 . 1 1 1 1 LYS CG C 13 24.525 0.010 . 1 . . . . . . . . 6476 1 5 . 1 1 1 1 LYS CE C 13 41.971 0.043 . 1 . . . . . . . . 6476 1 6 . 1 1 1 1 LYS CD C 13 29.068 0.051 . 1 . . . . . . . . 6476 1 7 . 1 1 1 1 LYS HA H 1 4.321 0.015 . 1 . . . . . . . . 6476 1 8 . 1 1 1 1 LYS HD3 H 1 1.664 0.006 . 1 . . . . . . . . 6476 1 9 . 1 1 1 1 LYS HD2 H 1 1.664 0.006 . 1 . . . . . . . . 6476 1 10 . 1 1 1 1 LYS HE2 H 1 2.968 0.009 . 1 . . . . . . . . 6476 1 11 . 1 1 1 1 LYS HE3 H 1 2.968 0.009 . 1 . . . . . . . . 6476 1 12 . 1 1 1 1 LYS HG2 H 1 1.422 0.015 . 1 . . . . . . . . 6476 1 13 . 1 1 1 1 LYS HG3 H 1 1.422 0.015 . 1 . . . . . . . . 6476 1 14 . 1 1 1 1 LYS HB3 H 1 1.775 0.008 . 1 . . . . . . . . 6476 1 15 . 1 1 1 1 LYS HB2 H 1 1.775 0.008 . 1 . . . . . . . . 6476 1 16 . 1 1 2 2 ALA C C 13 178.739 0.000 . 1 . . . . . . . . 6476 1 17 . 1 1 2 2 ALA H H 1 8.622 0.005 . 1 . . . . . . . . 6476 1 18 . 1 1 2 2 ALA CA C 13 52.270 0.034 . 1 . . . . . . . . 6476 1 19 . 1 1 2 2 ALA N N 15 108.894 0.011 . 1 . . . . . . . . 6476 1 20 . 1 1 2 2 ALA CB C 13 19.236 0.037 . 1 . . . . . . . . 6476 1 21 . 1 1 2 2 ALA HA H 1 4.335 0.008 . 1 . . . . . . . . 6476 1 22 . 1 1 2 2 ALA HB1 H 1 1.398 0.010 . 1 . . . . . . . . 6476 1 23 . 1 1 2 2 ALA HB2 H 1 1.398 0.010 . 1 . . . . . . . . 6476 1 24 . 1 1 2 2 ALA HB3 H 1 1.398 0.010 . 1 . . . . . . . . 6476 1 25 . 1 1 3 3 SER C C 13 175.308 0.000 . 1 . . . . . . . . 6476 1 26 . 1 1 3 3 SER H H 1 8.455 0.002 . 1 . . . . . . . . 6476 1 27 . 1 1 3 3 SER CA C 13 58.087 0.020 . 1 . . . . . . . . 6476 1 28 . 1 1 3 3 SER N N 15 115.493 0.021 . 1 . . . . . . . . 6476 1 29 . 1 1 3 3 SER CB C 13 63.760 0.015 . 1 . . . . . . . . 6476 1 30 . 1 1 3 3 SER HA H 1 4.449 0.007 . 1 . . . . . . . . 6476 1 31 . 1 1 3 3 SER HB3 H 1 3.850 0.004 . 1 . . . . . . . . 6476 1 32 . 1 1 3 3 SER HB2 H 1 3.850 0.004 . 1 . . . . . . . . 6476 1 33 . 1 1 4 4 SER H H 1 8.456 0.005 . 1 . . . . . . . . 6476 1 34 . 1 1 4 4 SER CA C 13 56.329 0.039 . 1 . . . . . . . . 6476 1 35 . 1 1 4 4 SER N N 15 118.533 0.026 . 1 . . . . . . . . 6476 1 36 . 1 1 4 4 SER CB C 13 63.203 0.060 . 1 . . . . . . . . 6476 1 37 . 1 1 4 4 SER HA H 1 4.796 0.009 . 1 . . . . . . . . 6476 1 38 . 1 1 4 4 SER HB3 H 1 3.857 0.005 . 1 . . . . . . . . 6476 1 39 . 1 1 4 4 SER HB2 H 1 3.857 0.005 . 1 . . . . . . . . 6476 1 40 . 1 1 5 5 PRO C C 13 178.078 0.000 . 1 . . . . . . . . 6476 1 41 . 1 1 5 5 PRO HA H 1 4.472 0.006 . 1 . . . . . . . . 6476 1 42 . 1 1 5 5 PRO HD3 H 1 3.836 0.006 . 2 . . . . . . . . 6476 1 43 . 1 1 5 5 PRO HD2 H 1 3.738 0.006 . 2 . . . . . . . . 6476 1 44 . 1 1 5 5 PRO CB C 13 32.099 0.034 . 1 . . . . . . . . 6476 1 45 . 1 1 5 5 PRO CA C 13 63.389 0.049 . 1 . . . . . . . . 6476 1 46 . 1 1 5 5 PRO CG C 13 27.252 0.034 . 1 . . . . . . . . 6476 1 47 . 1 1 5 5 PRO HG3 H 1 2.034 0.005 . 1 . . . . . . . . 6476 1 48 . 1 1 5 5 PRO CD C 13 50.625 0.032 . 1 . . . . . . . . 6476 1 49 . 1 1 5 5 PRO HG2 H 1 2.034 0.005 . 1 . . . . . . . . 6476 1 50 . 1 1 5 5 PRO HB3 H 1 1.963 0.004 . 2 . . . . . . . . 6476 1 51 . 1 1 5 5 PRO HB2 H 1 2.325 0.003 . 2 . . . . . . . . 6476 1 52 . 1 1 6 6 SER C C 13 175.717 0.000 . 1 . . . . . . . . 6476 1 53 . 1 1 6 6 SER H H 1 8.484 0.001 . 1 . . . . . . . . 6476 1 54 . 1 1 6 6 SER CA C 13 58.285 0.004 . 1 . . . . . . . . 6476 1 55 . 1 1 6 6 SER N N 15 115.448 0.001 . 1 . . . . . . . . 6476 1 56 . 1 1 6 6 SER CB C 13 63.731 0.002 . 1 . . . . . . . . 6476 1 57 . 1 1 6 6 SER HA H 1 4.471 0.000 . 1 . . . . . . . . 6476 1 58 . 1 1 6 6 SER HB3 H 1 3.880 0.000 . 1 . . . . . . . . 6476 1 59 . 1 1 6 6 SER HB2 H 1 3.880 0.000 . 1 . . . . . . . . 6476 1 60 . 1 1 7 7 SER C C 13 175.299 0.000 . 1 . . . . . . . . 6476 1 61 . 1 1 7 7 SER H H 1 8.394 0.002 . 1 . . . . . . . . 6476 1 62 . 1 1 7 7 SER CA C 13 58.290 0.005 . 1 . . . . . . . . 6476 1 63 . 1 1 7 7 SER N N 15 117.668 0.010 . 1 . . . . . . . . 6476 1 64 . 1 1 7 7 SER CB C 13 63.719 0.004 . 1 . . . . . . . . 6476 1 65 . 1 1 7 7 SER HA H 1 4.451 0.000 . 1 . . . . . . . . 6476 1 66 . 1 1 7 7 SER HB3 H 1 3.852 0.000 . 1 . . . . . . . . 6476 1 67 . 1 1 7 7 SER HB2 H 1 3.852 0.000 . 1 . . . . . . . . 6476 1 68 . 1 1 8 8 LEU C C 13 178.722 0.000 . 1 . . . . . . . . 6476 1 69 . 1 1 8 8 LEU CB C 13 43.446 0.044 . 1 . . . . . . . . 6476 1 70 . 1 1 8 8 LEU CA C 13 54.840 0.058 . 1 . . . . . . . . 6476 1 71 . 1 1 8 8 LEU CG C 13 27.109 0.033 . 1 . . . . . . . . 6476 1 72 . 1 1 8 8 LEU N N 15 123.290 0.002 . 1 . . . . . . . . 6476 1 73 . 1 1 8 8 LEU CD1 C 13 23.623 0.044 . 1 . . . . . . . . 6476 1 74 . 1 1 8 8 LEU CD2 C 13 25.638 0.009 . 1 . . . . . . . . 6476 1 75 . 1 1 8 8 LEU HA H 1 4.502 0.009 . 1 . . . . . . . . 6476 1 76 . 1 1 8 8 LEU HG H 1 1.625 0.004 . 1 . . . . . . . . 6476 1 77 . 1 1 8 8 LEU H H 1 8.043 0.004 . 1 . . . . . . . . 6476 1 78 . 1 1 8 8 LEU HB3 H 1 1.429 0.008 . 1 . . . . . . . . 6476 1 79 . 1 1 8 8 LEU HB2 H 1 1.429 0.008 . 1 . . . . . . . . 6476 1 80 . 1 1 8 8 LEU HD21 H 1 0.779 0.006 . 1 . . . . . . . . 6476 1 81 . 1 1 8 8 LEU HD22 H 1 0.779 0.006 . 1 . . . . . . . . 6476 1 82 . 1 1 8 8 LEU HD23 H 1 0.779 0.006 . 1 . . . . . . . . 6476 1 83 . 1 1 8 8 LEU HD11 H 1 0.776 0.008 . 1 . . . . . . . . 6476 1 84 . 1 1 8 8 LEU HD12 H 1 0.776 0.008 . 1 . . . . . . . . 6476 1 85 . 1 1 8 8 LEU HD13 H 1 0.776 0.008 . 1 . . . . . . . . 6476 1 86 . 1 1 9 9 THR C C 13 176.825 0.000 . 1 . . . . . . . . 6476 1 87 . 1 1 9 9 THR HA H 1 4.392 0.009 . 1 . . . . . . . . 6476 1 88 . 1 1 9 9 THR H H 1 8.628 0.008 . 1 . . . . . . . . 6476 1 89 . 1 1 9 9 THR CA C 13 61.048 0.032 . 1 . . . . . . . . 6476 1 90 . 1 1 9 9 THR N N 15 112.776 0.004 . 1 . . . . . . . . 6476 1 91 . 1 1 9 9 THR CB C 13 70.774 0.057 . 1 . . . . . . . . 6476 1 92 . 1 1 9 9 THR HB H 1 4.666 0.011 . 1 . . . . . . . . 6476 1 93 . 1 1 9 9 THR CG2 C 13 21.765 0.025 . 1 . . . . . . . . 6476 1 94 . 1 1 9 9 THR HG21 H 1 1.334 0.009 . 1 . . . . . . . . 6476 1 95 . 1 1 9 9 THR HG22 H 1 1.334 0.009 . 1 . . . . . . . . 6476 1 96 . 1 1 9 9 THR HG23 H 1 1.334 0.009 . 1 . . . . . . . . 6476 1 97 . 1 1 10 10 TYR C C 13 179.074 0.000 . 1 . . . . . . . . 6476 1 98 . 1 1 10 10 TYR CE1 C 13 118.888 0.095 . 1 . . . . . . . . 6476 1 99 . 1 1 10 10 TYR CB C 13 38.143 0.030 . 1 . . . . . . . . 6476 1 100 . 1 1 10 10 TYR CA C 13 62.928 0.035 . 1 . . . . . . . . 6476 1 101 . 1 1 10 10 TYR N N 15 121.008 0.004 . 1 . . . . . . . . 6476 1 102 . 1 1 10 10 TYR CE2 C 13 118.888 0.095 . 1 . . . . . . . . 6476 1 103 . 1 1 10 10 TYR CD2 C 13 130.856 0.099 . 1 . . . . . . . . 6476 1 104 . 1 1 10 10 TYR HA H 1 3.993 0.003 . 1 . . . . . . . . 6476 1 105 . 1 1 10 10 TYR CD1 C 13 130.856 0.099 . 1 . . . . . . . . 6476 1 106 . 1 1 10 10 TYR H H 1 8.932 0.004 . 1 . . . . . . . . 6476 1 107 . 1 1 10 10 TYR HB3 H 1 2.950 0.007 . 2 . . . . . . . . 6476 1 108 . 1 1 10 10 TYR HB2 H 1 2.390 0.007 . 2 . . . . . . . . 6476 1 109 . 1 1 10 10 TYR HE1 H 1 6.693 0.004 . 1 . . . . . . . . 6476 1 110 . 1 1 10 10 TYR HD1 H 1 6.922 0.003 . 1 . . . . . . . . 6476 1 111 . 1 1 11 11 LYS C C 13 178.300 0.000 . 1 . . . . . . . . 6476 1 112 . 1 1 11 11 LYS CB C 13 32.174 0.065 . 1 . . . . . . . . 6476 1 113 . 1 1 11 11 LYS CA C 13 60.639 0.018 . 1 . . . . . . . . 6476 1 114 . 1 1 11 11 LYS CG C 13 25.003 0.040 . 1 . . . . . . . . 6476 1 115 . 1 1 11 11 LYS CD C 13 29.688 0.009 . 1 . . . . . . . . 6476 1 116 . 1 1 11 11 LYS CE C 13 41.645 0.024 . 1 . . . . . . . . 6476 1 117 . 1 1 11 11 LYS N N 15 117.721 0.006 . 1 . . . . . . . . 6476 1 118 . 1 1 11 11 LYS HA H 1 3.570 0.008 . 1 . . . . . . . . 6476 1 119 . 1 1 11 11 LYS HD3 H 1 1.628 0.005 . 1 . . . . . . . . 6476 1 120 . 1 1 11 11 LYS HD2 H 1 1.628 0.005 . 1 . . . . . . . . 6476 1 121 . 1 1 11 11 LYS HE2 H 1 2.863 0.003 . 1 . . . . . . . . 6476 1 122 . 1 1 11 11 LYS HE3 H 1 2.863 0.003 . 1 . . . . . . . . 6476 1 123 . 1 1 11 11 LYS HG2 H 1 1.139 0.011 . 2 . . . . . . . . 6476 1 124 . 1 1 11 11 LYS HG3 H 1 1.217 0.015 . 2 . . . . . . . . 6476 1 125 . 1 1 11 11 LYS H H 1 8.463 0.006 . 1 . . . . . . . . 6476 1 126 . 1 1 11 11 LYS HB3 H 1 1.885 0.005 . 2 . . . . . . . . 6476 1 127 . 1 1 11 11 LYS HB2 H 1 1.631 0.006 . 2 . . . . . . . . 6476 1 128 . 1 1 12 12 GLU C C 13 174.524 0.000 . 1 . . . . . . . . 6476 1 129 . 1 1 12 12 GLU H H 1 7.618 0.005 . 1 . . . . . . . . 6476 1 130 . 1 1 12 12 GLU CA C 13 59.350 0.060 . 1 . . . . . . . . 6476 1 131 . 1 1 12 12 GLU N N 15 116.425 0.022 . 1 . . . . . . . . 6476 1 132 . 1 1 12 12 GLU HB3 H 1 2.201 0.011 . 1 . . . . . . . . 6476 1 133 . 1 1 12 12 GLU CB C 13 30.248 0.052 . 1 . . . . . . . . 6476 1 134 . 1 1 12 12 GLU HA H 1 3.869 0.006 . 1 . . . . . . . . 6476 1 135 . 1 1 12 12 GLU HB2 H 1 2.193 0.007 . 2 . . . . . . . . 6476 1 136 . 1 1 13 13 MET C C 13 179.974 0.000 . 1 . . . . . . . . 6476 1 137 . 1 1 13 13 MET CB C 13 33.830 0.038 . 1 . . . . . . . . 6476 1 138 . 1 1 13 13 MET CA C 13 60.097 0.031 . 1 . . . . . . . . 6476 1 139 . 1 1 13 13 MET HG2 H 1 2.104 0.003 . 2 . . . . . . . . 6476 1 140 . 1 1 13 13 MET HG3 H 1 0.927 0.003 . 2 . . . . . . . . 6476 1 141 . 1 1 13 13 MET CE C 13 16.642 0.000 . 1 . . . . . . . . 6476 1 142 . 1 1 13 13 MET N N 15 116.926 0.041 . 1 . . . . . . . . 6476 1 143 . 1 1 13 13 MET H H 1 8.216 0.018 . 1 . . . . . . . . 6476 1 144 . 1 1 13 13 MET CG C 13 32.825 0.013 . 1 . . . . . . . . 6476 1 145 . 1 1 13 13 MET HA H 1 3.616 0.008 . 1 . . . . . . . . 6476 1 146 . 1 1 13 13 MET HB3 H 1 1.510 0.010 . 2 . . . . . . . . 6476 1 147 . 1 1 13 13 MET HB2 H 1 1.974 0.007 . 2 . . . . . . . . 6476 1 148 . 1 1 13 13 MET HE1 H 1 2.102 0.000 . 1 . . . . . . . . 6476 1 149 . 1 1 13 13 MET HE2 H 1 2.102 0.000 . 1 . . . . . . . . 6476 1 150 . 1 1 13 13 MET HE3 H 1 2.102 0.000 . 1 . . . . . . . . 6476 1 151 . 1 1 14 14 ILE C C 13 178.758 0.000 . 1 . . . . . . . . 6476 1 152 . 1 1 14 14 ILE CB C 13 38.218 0.039 . 1 . . . . . . . . 6476 1 153 . 1 1 14 14 ILE CA C 13 66.169 0.044 . 1 . . . . . . . . 6476 1 154 . 1 1 14 14 ILE N N 15 120.085 0.010 . 1 . . . . . . . . 6476 1 155 . 1 1 14 14 ILE CG1 C 13 30.662 0.053 . 1 . . . . . . . . 6476 1 156 . 1 1 14 14 ILE CD1 C 13 14.744 0.022 . 1 . . . . . . . . 6476 1 157 . 1 1 14 14 ILE HB H 1 1.904 0.006 . 1 . . . . . . . . 6476 1 158 . 1 1 14 14 ILE CG2 C 13 17.699 0.050 . 1 . . . . . . . . 6476 1 159 . 1 1 14 14 ILE HA H 1 3.532 0.008 . 1 . . . . . . . . 6476 1 160 . 1 1 14 14 ILE HG12 H 1 0.893 0.008 . 1 . . . . . . . . 6476 1 161 . 1 1 14 14 ILE HG13 H 1 1.782 0.016 . 1 . . . . . . . . 6476 1 162 . 1 1 14 14 ILE H H 1 8.240 0.004 . 1 . . . . . . . . 6476 1 163 . 1 1 14 14 ILE HG21 H 1 0.786 0.007 . 1 . . . . . . . . 6476 1 164 . 1 1 14 14 ILE HG22 H 1 0.786 0.007 . 1 . . . . . . . . 6476 1 165 . 1 1 14 14 ILE HG23 H 1 0.786 0.007 . 1 . . . . . . . . 6476 1 166 . 1 1 14 14 ILE HD11 H 1 0.488 0.006 . 1 . . . . . . . . 6476 1 167 . 1 1 14 14 ILE HD12 H 1 0.488 0.006 . 1 . . . . . . . . 6476 1 168 . 1 1 14 14 ILE HD13 H 1 0.488 0.006 . 1 . . . . . . . . 6476 1 169 . 1 1 15 15 LEU C C 13 181.353 0.000 . 1 . . . . . . . . 6476 1 170 . 1 1 15 15 LEU CB C 13 40.142 0.035 . 1 . . . . . . . . 6476 1 171 . 1 1 15 15 LEU CA C 13 58.407 0.070 . 1 . . . . . . . . 6476 1 172 . 1 1 15 15 LEU CG C 13 26.490 0.033 . 1 . . . . . . . . 6476 1 173 . 1 1 15 15 LEU N N 15 118.413 0.021 . 1 . . . . . . . . 6476 1 174 . 1 1 15 15 LEU CD1 C 13 22.147 0.013 . 1 . . . . . . . . 6476 1 175 . 1 1 15 15 LEU CD2 C 13 25.771 0.080 . 1 . . . . . . . . 6476 1 176 . 1 1 15 15 LEU HA H 1 3.933 0.007 . 1 . . . . . . . . 6476 1 177 . 1 1 15 15 LEU HG H 1 1.885 0.008 . 1 . . . . . . . . 6476 1 178 . 1 1 15 15 LEU H H 1 8.681 0.005 . 1 . . . . . . . . 6476 1 179 . 1 1 15 15 LEU HB3 H 1 1.845 0.025 . 1 . . . . . . . . 6476 1 180 . 1 1 15 15 LEU HB2 H 1 1.364 0.022 . 1 . . . . . . . . 6476 1 181 . 1 1 15 15 LEU HD21 H 1 0.785 0.001 . 1 . . . . . . . . 6476 1 182 . 1 1 15 15 LEU HD22 H 1 0.785 0.001 . 1 . . . . . . . . 6476 1 183 . 1 1 15 15 LEU HD23 H 1 0.785 0.001 . 1 . . . . . . . . 6476 1 184 . 1 1 15 15 LEU HD11 H 1 0.732 0.003 . 1 . . . . . . . . 6476 1 185 . 1 1 15 15 LEU HD12 H 1 0.732 0.003 . 1 . . . . . . . . 6476 1 186 . 1 1 15 15 LEU HD13 H 1 0.732 0.003 . 1 . . . . . . . . 6476 1 187 . 1 1 16 16 LYS C C 13 179.868 0.000 . 1 . . . . . . . . 6476 1 188 . 1 1 16 16 LYS CB C 13 32.601 0.035 . 1 . . . . . . . . 6476 1 189 . 1 1 16 16 LYS CA C 13 58.416 0.103 . 1 . . . . . . . . 6476 1 190 . 1 1 16 16 LYS CG C 13 25.607 0.026 . 1 . . . . . . . . 6476 1 191 . 1 1 16 16 LYS CD C 13 29.048 0.017 . 1 . . . . . . . . 6476 1 192 . 1 1 16 16 LYS CE C 13 41.948 0.012 . 1 . . . . . . . . 6476 1 193 . 1 1 16 16 LYS N N 15 116.756 0.022 . 1 . . . . . . . . 6476 1 194 . 1 1 16 16 LYS HA H 1 4.117 0.008 . 1 . . . . . . . . 6476 1 195 . 1 1 16 16 LYS HD3 H 1 1.637 0.009 . 1 . . . . . . . . 6476 1 196 . 1 1 16 16 LYS HD2 H 1 1.637 0.009 . 1 . . . . . . . . 6476 1 197 . 1 1 16 16 LYS HE2 H 1 2.957 0.007 . 2 . . . . . . . . 6476 1 198 . 1 1 16 16 LYS HE3 H 1 2.976 0.026 . 2 . . . . . . . . 6476 1 199 . 1 1 16 16 LYS HG2 H 1 1.548 0.028 . 1 . . . . . . . . 6476 1 200 . 1 1 16 16 LYS HG3 H 1 1.548 0.028 . 1 . . . . . . . . 6476 1 201 . 1 1 16 16 LYS H H 1 8.537 0.004 . 1 . . . . . . . . 6476 1 202 . 1 1 16 16 LYS HB3 H 1 1.998 0.000 . 1 . . . . . . . . 6476 1 203 . 1 1 16 16 LYS HB2 H 1 1.934 0.021 . 1 . . . . . . . . 6476 1 204 . 1 1 17 17 SER C C 13 175.973 0.000 . 1 . . . . . . . . 6476 1 205 . 1 1 17 17 SER H H 1 7.441 0.004 . 1 . . . . . . . . 6476 1 206 . 1 1 17 17 SER CA C 13 61.625 0.031 . 1 . . . . . . . . 6476 1 207 . 1 1 17 17 SER N N 15 113.691 0.036 . 1 . . . . . . . . 6476 1 208 . 1 1 17 17 SER CB C 13 63.256 0.002 . 1 . . . . . . . . 6476 1 209 . 1 1 17 17 SER HA H 1 4.391 0.005 . 1 . . . . . . . . 6476 1 210 . 1 1 17 17 SER HG H 1 5.772 0.000 . 1 . . . . . . . . 6476 1 211 . 1 1 17 17 SER HB3 H 1 4.148 0.007 . 1 . . . . . . . . 6476 1 212 . 1 1 17 17 SER HB2 H 1 4.148 0.007 . 1 . . . . . . . . 6476 1 213 . 1 1 18 18 MET CB C 13 28.972 0.036 . 1 . . . . . . . . 6476 1 214 . 1 1 18 18 MET CA C 13 58.002 0.041 . 1 . . . . . . . . 6476 1 215 . 1 1 18 18 MET HG2 H 1 2.803 0.007 . 2 . . . . . . . . 6476 1 216 . 1 1 18 18 MET HG3 H 1 2.463 0.010 . 2 . . . . . . . . 6476 1 217 . 1 1 18 18 MET CE C 13 16.129 0.000 . 1 . . . . . . . . 6476 1 218 . 1 1 18 18 MET N N 15 117.650 0.009 . 1 . . . . . . . . 6476 1 219 . 1 1 18 18 MET H H 1 7.465 0.004 . 1 . . . . . . . . 6476 1 220 . 1 1 18 18 MET CG C 13 32.023 0.079 . 1 . . . . . . . . 6476 1 221 . 1 1 18 18 MET HA H 1 4.408 0.006 . 1 . . . . . . . . 6476 1 222 . 1 1 18 18 MET HB3 H 1 2.193 0.002 . 2 . . . . . . . . 6476 1 223 . 1 1 18 18 MET HB2 H 1 1.924 0.008 . 2 . . . . . . . . 6476 1 224 . 1 1 18 18 MET HE1 H 1 1.913 0.000 . 1 . . . . . . . . 6476 1 225 . 1 1 18 18 MET HE2 H 1 1.913 0.000 . 1 . . . . . . . . 6476 1 226 . 1 1 18 18 MET HE3 H 1 1.913 0.000 . 1 . . . . . . . . 6476 1 227 . 1 1 19 19 PRO C C 13 177.699 0.000 . 1 . . . . . . . . 6476 1 228 . 1 1 19 19 PRO HA H 1 4.260 0.006 . 1 . . . . . . . . 6476 1 229 . 1 1 19 19 PRO HD3 H 1 3.729 0.008 . 2 . . . . . . . . 6476 1 230 . 1 1 19 19 PRO HD2 H 1 3.572 0.007 . 2 . . . . . . . . 6476 1 231 . 1 1 19 19 PRO CB C 13 31.607 0.062 . 1 . . . . . . . . 6476 1 232 . 1 1 19 19 PRO CA C 13 65.025 0.027 . 1 . . . . . . . . 6476 1 233 . 1 1 19 19 PRO CG C 13 28.177 0.060 . 1 . . . . . . . . 6476 1 234 . 1 1 19 19 PRO HG3 H 1 1.854 0.009 . 2 . . . . . . . . 6476 1 235 . 1 1 19 19 PRO CD C 13 50.999 0.033 . 1 . . . . . . . . 6476 1 236 . 1 1 19 19 PRO HG2 H 1 2.043 0.007 . 2 . . . . . . . . 6476 1 237 . 1 1 19 19 PRO HB3 H 1 1.750 0.009 . 2 . . . . . . . . 6476 1 238 . 1 1 19 19 PRO HB2 H 1 2.369 0.006 . 2 . . . . . . . . 6476 1 239 . 1 1 20 20 GLN C C 13 176.747 0.000 . 1 . . . . . . . . 6476 1 240 . 1 1 20 20 GLN HA H 1 4.216 0.008 . 1 . . . . . . . . 6476 1 241 . 1 1 20 20 GLN CB C 13 28.835 0.039 . 1 . . . . . . . . 6476 1 242 . 1 1 20 20 GLN CA C 13 55.198 0.039 . 1 . . . . . . . . 6476 1 243 . 1 1 20 20 GLN CG C 13 33.655 0.041 . 1 . . . . . . . . 6476 1 244 . 1 1 20 20 GLN HG3 H 1 2.559 0.006 . 2 . . . . . . . . 6476 1 245 . 1 1 20 20 GLN CD C 13 181.347 0.015 . 1 . . . . . . . . 6476 1 246 . 1 1 20 20 GLN N N 15 110.945 0.034 . 1 . . . . . . . . 6476 1 247 . 1 1 20 20 GLN H H 1 7.367 0.004 . 1 . . . . . . . . 6476 1 248 . 1 1 20 20 GLN HE22 H 1 7.553 0.001 . 2 . . . . . . . . 6476 1 249 . 1 1 20 20 GLN HE21 H 1 7.005 0.001 . 2 . . . . . . . . 6476 1 250 . 1 1 20 20 GLN HG2 H 1 2.357 0.015 . 2 . . . . . . . . 6476 1 251 . 1 1 20 20 GLN NE2 N 15 112.090 0.001 . 1 . . . . . . . . 6476 1 252 . 1 1 20 20 GLN HB3 H 1 1.955 0.007 . 2 . . . . . . . . 6476 1 253 . 1 1 20 20 GLN HB2 H 1 2.251 0.011 . 2 . . . . . . . . 6476 1 254 . 1 1 21 21 LEU C C 13 178.667 0.000 . 1 . . . . . . . . 6476 1 255 . 1 1 21 21 LEU CB C 13 43.304 0.085 . 1 . . . . . . . . 6476 1 256 . 1 1 21 21 LEU CA C 13 53.146 0.029 . 1 . . . . . . . . 6476 1 257 . 1 1 21 21 LEU CG C 13 25.908 0.061 . 1 . . . . . . . . 6476 1 258 . 1 1 21 21 LEU N N 15 119.484 0.004 . 1 . . . . . . . . 6476 1 259 . 1 1 21 21 LEU CD1 C 13 23.014 0.033 . 1 . . . . . . . . 6476 1 260 . 1 1 21 21 LEU CD2 C 13 25.656 0.026 . 1 . . . . . . . . 6476 1 261 . 1 1 21 21 LEU HA H 1 4.366 0.009 . 1 . . . . . . . . 6476 1 262 . 1 1 21 21 LEU HG H 1 1.104 0.010 . 1 . . . . . . . . 6476 1 263 . 1 1 21 21 LEU H H 1 7.126 0.004 . 1 . . . . . . . . 6476 1 264 . 1 1 21 21 LEU HB3 H 1 1.124 0.017 . 2 . . . . . . . . 6476 1 265 . 1 1 21 21 LEU HB2 H 1 1.503 0.009 . 2 . . . . . . . . 6476 1 266 . 1 1 21 21 LEU HD21 H 1 0.671 0.008 . 1 . . . . . . . . 6476 1 267 . 1 1 21 21 LEU HD22 H 1 0.671 0.008 . 1 . . . . . . . . 6476 1 268 . 1 1 21 21 LEU HD23 H 1 0.671 0.008 . 1 . . . . . . . . 6476 1 269 . 1 1 21 21 LEU HD11 H 1 0.436 0.007 . 1 . . . . . . . . 6476 1 270 . 1 1 21 21 LEU HD12 H 1 0.436 0.007 . 1 . . . . . . . . 6476 1 271 . 1 1 21 21 LEU HD13 H 1 0.436 0.007 . 1 . . . . . . . . 6476 1 272 . 1 1 22 22 ASN C C 13 176.362 0.000 . 1 . . . . . . . . 6476 1 273 . 1 1 22 22 ASN ND2 N 15 111.969 0.004 . 1 . . . . . . . . 6476 1 274 . 1 1 22 22 ASN HD22 H 1 7.940 0.002 . 2 . . . . . . . . 6476 1 275 . 1 1 22 22 ASN HD21 H 1 6.884 0.002 . 2 . . . . . . . . 6476 1 276 . 1 1 22 22 ASN H H 1 9.617 0.004 . 1 . . . . . . . . 6476 1 277 . 1 1 22 22 ASN CA C 13 53.883 0.054 . 1 . . . . . . . . 6476 1 278 . 1 1 22 22 ASN CG C 13 179.426 0.038 . 1 . . . . . . . . 6476 1 279 . 1 1 22 22 ASN N N 15 123.729 0.004 . 1 . . . . . . . . 6476 1 280 . 1 1 22 22 ASN CB C 13 37.039 0.044 . 1 . . . . . . . . 6476 1 281 . 1 1 22 22 ASN HA H 1 4.363 0.010 . 1 . . . . . . . . 6476 1 282 . 1 1 22 22 ASN HB3 H 1 3.067 0.008 . 2 . . . . . . . . 6476 1 283 . 1 1 22 22 ASN HB2 H 1 2.757 0.011 . 2 . . . . . . . . 6476 1 284 . 1 1 23 23 ASP C C 13 176.784 0.000 . 1 . . . . . . . . 6476 1 285 . 1 1 23 23 ASP H H 1 8.917 0.004 . 1 . . . . . . . . 6476 1 286 . 1 1 23 23 ASP CA C 13 55.317 0.047 . 1 . . . . . . . . 6476 1 287 . 1 1 23 23 ASP N N 15 113.715 0.014 . 1 . . . . . . . . 6476 1 288 . 1 1 23 23 ASP CB C 13 40.213 0.014 . 1 . . . . . . . . 6476 1 289 . 1 1 23 23 ASP HA H 1 4.296 0.007 . 1 . . . . . . . . 6476 1 290 . 1 1 23 23 ASP HB3 H 1 2.614 0.005 . 2 . . . . . . . . 6476 1 291 . 1 1 23 23 ASP HB2 H 1 2.964 0.004 . 2 . . . . . . . . 6476 1 292 . 1 1 24 24 GLY C C 13 177.689 0.000 . 1 . . . . . . . . 6476 1 293 . 1 1 24 24 GLY H H 1 7.954 0.002 . 1 . . . . . . . . 6476 1 294 . 1 1 24 24 GLY HA2 H 1 4.118 0.000 . 2 . . . . . . . . 6476 1 295 . 1 1 24 24 GLY HA3 H 1 3.949 0.000 . 2 . . . . . . . . 6476 1 296 . 1 1 24 24 GLY CA C 13 46.258 0.037 . 1 . . . . . . . . 6476 1 297 . 1 1 24 24 GLY N N 15 104.658 0.019 . 1 . . . . . . . . 6476 1 298 . 1 1 25 25 LYS C C 13 177.160 0.000 . 1 . . . . . . . . 6476 1 299 . 1 1 25 25 LYS CB C 13 31.981 0.026 . 1 . . . . . . . . 6476 1 300 . 1 1 25 25 LYS CA C 13 56.988 0.029 . 1 . . . . . . . . 6476 1 301 . 1 1 25 25 LYS CG C 13 24.904 0.004 . 1 . . . . . . . . 6476 1 302 . 1 1 25 25 LYS CD C 13 29.050 0.067 . 1 . . . . . . . . 6476 1 303 . 1 1 25 25 LYS CE C 13 41.950 0.026 . 1 . . . . . . . . 6476 1 304 . 1 1 25 25 LYS N N 15 118.474 0.029 . 1 . . . . . . . . 6476 1 305 . 1 1 25 25 LYS HA H 1 4.246 0.019 . 1 . . . . . . . . 6476 1 306 . 1 1 25 25 LYS HD3 H 1 1.677 0.011 . 1 . . . . . . . . 6476 1 307 . 1 1 25 25 LYS HD2 H 1 1.677 0.011 . 1 . . . . . . . . 6476 1 308 . 1 1 25 25 LYS HE2 H 1 2.968 0.011 . 1 . . . . . . . . 6476 1 309 . 1 1 25 25 LYS HE3 H 1 2.968 0.011 . 1 . . . . . . . . 6476 1 310 . 1 1 25 25 LYS HG2 H 1 1.421 0.025 . 1 . . . . . . . . 6476 1 311 . 1 1 25 25 LYS HG3 H 1 1.480 0.040 . 1 . . . . . . . . 6476 1 312 . 1 1 25 25 LYS H H 1 7.909 0.004 . 1 . . . . . . . . 6476 1 313 . 1 1 25 25 LYS HB3 H 1 2.075 0.010 . 1 . . . . . . . . 6476 1 314 . 1 1 25 25 LYS HB2 H 1 1.988 0.016 . 1 . . . . . . . . 6476 1 315 . 1 1 26 26 GLY C C 13 174.441 0.000 . 1 . . . . . . . . 6476 1 316 . 1 1 26 26 GLY H H 1 8.129 0.004 . 1 . . . . . . . . 6476 1 317 . 1 1 26 26 GLY HA2 H 1 4.460 0.003 . 2 . . . . . . . . 6476 1 318 . 1 1 26 26 GLY HA3 H 1 3.973 0.015 . 2 . . . . . . . . 6476 1 319 . 1 1 26 26 GLY CA C 13 44.738 0.047 . 1 . . . . . . . . 6476 1 320 . 1 1 26 26 GLY N N 15 109.052 0.009 . 1 . . . . . . . . 6476 1 321 . 1 1 27 27 SER C C 13 174.408 0.000 . 1 . . . . . . . . 6476 1 322 . 1 1 27 27 SER H H 1 8.731 0.002 . 1 . . . . . . . . 6476 1 323 . 1 1 27 27 SER CA C 13 57.241 0.033 . 1 . . . . . . . . 6476 1 324 . 1 1 27 27 SER N N 15 113.573 0.014 . 1 . . . . . . . . 6476 1 325 . 1 1 27 27 SER CB C 13 67.001 0.017 . 1 . . . . . . . . 6476 1 326 . 1 1 27 27 SER HA H 1 4.784 0.009 . 1 . . . . . . . . 6476 1 327 . 1 1 27 27 SER HB3 H 1 3.430 0.007 . 2 . . . . . . . . 6476 1 328 . 1 1 27 27 SER HB2 H 1 3.563 0.011 . 2 . . . . . . . . 6476 1 329 . 1 1 28 28 SER C C 13 176.777 0.000 . 1 . . . . . . . . 6476 1 330 . 1 1 28 28 SER H H 1 8.883 0.003 . 1 . . . . . . . . 6476 1 331 . 1 1 28 28 SER CA C 13 57.248 0.006 . 1 . . . . . . . . 6476 1 332 . 1 1 28 28 SER N N 15 118.906 0.005 . 1 . . . . . . . . 6476 1 333 . 1 1 28 28 SER CB C 13 64.376 0.037 . 1 . . . . . . . . 6476 1 334 . 1 1 28 28 SER HA H 1 4.655 0.010 . 1 . . . . . . . . 6476 1 335 . 1 1 28 28 SER HG H 1 4.432 0.000 . 1 . . . . . . . . 6476 1 336 . 1 1 28 28 SER HB3 H 1 4.317 0.004 . 1 . . . . . . . . 6476 1 337 . 1 1 28 28 SER HB2 H 1 3.986 0.009 . 1 . . . . . . . . 6476 1 338 . 1 1 29 29 ARG C C 13 178.895 0.000 . 1 . . . . . . . . 6476 1 339 . 1 1 29 29 ARG CB C 13 30.373 0.055 . 1 . . . . . . . . 6476 1 340 . 1 1 29 29 ARG CA C 13 60.594 0.012 . 1 . . . . . . . . 6476 1 341 . 1 1 29 29 ARG CG C 13 28.490 0.011 . 1 . . . . . . . . 6476 1 342 . 1 1 29 29 ARG CD C 13 43.268 0.039 . 1 . . . . . . . . 6476 1 343 . 1 1 29 29 ARG N N 15 123.043 0.006 . 1 . . . . . . . . 6476 1 344 . 1 1 29 29 ARG HA H 1 3.912 0.008 . 1 . . . . . . . . 6476 1 345 . 1 1 29 29 ARG HD3 H 1 3.364 0.010 . 1 . . . . . . . . 6476 1 346 . 1 1 29 29 ARG HD2 H 1 3.364 0.010 . 1 . . . . . . . . 6476 1 347 . 1 1 29 29 ARG HG2 H 1 1.729 0.009 . 1 . . . . . . . . 6476 1 348 . 1 1 29 29 ARG HG3 H 1 1.729 0.009 . 1 . . . . . . . . 6476 1 349 . 1 1 29 29 ARG H H 1 9.453 0.004 . 1 . . . . . . . . 6476 1 350 . 1 1 29 29 ARG HB3 H 1 2.012 0.017 . 1 . . . . . . . . 6476 1 351 . 1 1 29 29 ARG HB2 H 1 2.012 0.017 . 1 . . . . . . . . 6476 1 352 . 1 1 30 30 ILE C C 13 179.132 0.000 . 1 . . . . . . . . 6476 1 353 . 1 1 30 30 ILE CB C 13 38.221 0.005 . 1 . . . . . . . . 6476 1 354 . 1 1 30 30 ILE CA C 13 64.233 0.044 . 1 . . . . . . . . 6476 1 355 . 1 1 30 30 ILE N N 15 116.229 0.010 . 1 . . . . . . . . 6476 1 356 . 1 1 30 30 ILE CG1 C 13 28.796 0.040 . 1 . . . . . . . . 6476 1 357 . 1 1 30 30 ILE CD1 C 13 13.303 0.018 . 1 . . . . . . . . 6476 1 358 . 1 1 30 30 ILE HB H 1 1.820 0.005 . 1 . . . . . . . . 6476 1 359 . 1 1 30 30 ILE CG2 C 13 17.430 0.021 . 1 . . . . . . . . 6476 1 360 . 1 1 30 30 ILE HA H 1 3.872 0.007 . 1 . . . . . . . . 6476 1 361 . 1 1 30 30 ILE HG12 H 1 1.283 0.006 . 2 . . . . . . . . 6476 1 362 . 1 1 30 30 ILE HG13 H 1 1.579 0.009 . 2 . . . . . . . . 6476 1 363 . 1 1 30 30 ILE H H 1 8.083 0.005 . 1 . . . . . . . . 6476 1 364 . 1 1 30 30 ILE HG21 H 1 0.967 0.008 . 1 . . . . . . . . 6476 1 365 . 1 1 30 30 ILE HG22 H 1 0.967 0.008 . 1 . . . . . . . . 6476 1 366 . 1 1 30 30 ILE HG23 H 1 0.967 0.008 . 1 . . . . . . . . 6476 1 367 . 1 1 30 30 ILE HD11 H 1 0.932 0.023 . 1 . . . . . . . . 6476 1 368 . 1 1 30 30 ILE HD12 H 1 0.932 0.023 . 1 . . . . . . . . 6476 1 369 . 1 1 30 30 ILE HD13 H 1 0.932 0.023 . 1 . . . . . . . . 6476 1 370 . 1 1 31 31 VAL C C 13 179.603 0.000 . 1 . . . . . . . . 6476 1 371 . 1 1 31 31 VAL HA H 1 3.663 0.010 . 1 . . . . . . . . 6476 1 372 . 1 1 31 31 VAL CB C 13 31.799 0.036 . 1 . . . . . . . . 6476 1 373 . 1 1 31 31 VAL CA C 13 66.220 0.052 . 1 . . . . . . . . 6476 1 374 . 1 1 31 31 VAL HB H 1 2.056 0.010 . 1 . . . . . . . . 6476 1 375 . 1 1 31 31 VAL N N 15 122.993 0.017 . 1 . . . . . . . . 6476 1 376 . 1 1 31 31 VAL H H 1 7.290 0.004 . 1 . . . . . . . . 6476 1 377 . 1 1 31 31 VAL CG1 C 13 21.208 0.008 . 1 . . . . . . . . 6476 1 378 . 1 1 31 31 VAL CG2 C 13 21.208 0.008 . 1 . . . . . . . . 6476 1 379 . 1 1 31 31 VAL HG21 H 1 1.022 0.014 . 1 . . . . . . . . 6476 1 380 . 1 1 31 31 VAL HG22 H 1 1.022 0.014 . 1 . . . . . . . . 6476 1 381 . 1 1 31 31 VAL HG23 H 1 1.022 0.014 . 1 . . . . . . . . 6476 1 382 . 1 1 31 31 VAL HG11 H 1 1.022 0.014 . 1 . . . . . . . . 6476 1 383 . 1 1 31 31 VAL HG12 H 1 1.022 0.014 . 1 . . . . . . . . 6476 1 384 . 1 1 31 31 VAL HG13 H 1 1.022 0.014 . 1 . . . . . . . . 6476 1 385 . 1 1 32 32 LEU C C 13 178.268 0.000 . 1 . . . . . . . . 6476 1 386 . 1 1 32 32 LEU CB C 13 42.078 0.040 . 1 . . . . . . . . 6476 1 387 . 1 1 32 32 LEU CA C 13 58.015 0.028 . 1 . . . . . . . . 6476 1 388 . 1 1 32 32 LEU CG C 13 27.729 0.023 . 1 . . . . . . . . 6476 1 389 . 1 1 32 32 LEU N N 15 121.691 0.007 . 1 . . . . . . . . 6476 1 390 . 1 1 32 32 LEU CD1 C 13 26.828 0.020 . 1 . . . . . . . . 6476 1 391 . 1 1 32 32 LEU CD2 C 13 23.302 0.124 . 1 . . . . . . . . 6476 1 392 . 1 1 32 32 LEU HA H 1 4.190 0.010 . 1 . . . . . . . . 6476 1 393 . 1 1 32 32 LEU HG H 1 1.849 0.003 . 1 . . . . . . . . 6476 1 394 . 1 1 32 32 LEU H H 1 7.871 0.003 . 1 . . . . . . . . 6476 1 395 . 1 1 32 32 LEU HB3 H 1 1.538 0.004 . 2 . . . . . . . . 6476 1 396 . 1 1 32 32 LEU HB2 H 1 2.088 0.007 . 2 . . . . . . . . 6476 1 397 . 1 1 32 32 LEU HD21 H 1 1.064 0.004 . 1 . . . . . . . . 6476 1 398 . 1 1 32 32 LEU HD22 H 1 1.064 0.004 . 1 . . . . . . . . 6476 1 399 . 1 1 32 32 LEU HD23 H 1 1.064 0.004 . 1 . . . . . . . . 6476 1 400 . 1 1 32 32 LEU HD11 H 1 1.023 0.007 . 1 . . . . . . . . 6476 1 401 . 1 1 32 32 LEU HD12 H 1 1.023 0.007 . 1 . . . . . . . . 6476 1 402 . 1 1 32 32 LEU HD13 H 1 1.023 0.007 . 1 . . . . . . . . 6476 1 403 . 1 1 33 33 LYS C C 13 178.612 0.000 . 1 . . . . . . . . 6476 1 404 . 1 1 33 33 LYS CB C 13 32.260 0.033 . 1 . . . . . . . . 6476 1 405 . 1 1 33 33 LYS CA C 13 60.417 0.050 . 1 . . . . . . . . 6476 1 406 . 1 1 33 33 LYS CG C 13 25.199 0.028 . 1 . . . . . . . . 6476 1 407 . 1 1 33 33 LYS CD C 13 29.613 0.040 . 1 . . . . . . . . 6476 1 408 . 1 1 33 33 LYS CE C 13 42.042 0.046 . 1 . . . . . . . . 6476 1 409 . 1 1 33 33 LYS N N 15 118.653 0.003 . 1 . . . . . . . . 6476 1 410 . 1 1 33 33 LYS HA H 1 3.243 0.012 . 1 . . . . . . . . 6476 1 411 . 1 1 33 33 LYS HD3 H 1 1.512 0.012 . 1 . . . . . . . . 6476 1 412 . 1 1 33 33 LYS HD2 H 1 1.512 0.012 . 1 . . . . . . . . 6476 1 413 . 1 1 33 33 LYS HE2 H 1 2.700 0.021 . 1 . . . . . . . . 6476 1 414 . 1 1 33 33 LYS HE3 H 1 2.735 0.027 . 1 . . . . . . . . 6476 1 415 . 1 1 33 33 LYS HG2 H 1 0.302 0.004 . 2 . . . . . . . . 6476 1 416 . 1 1 33 33 LYS HG3 H 1 0.998 0.004 . 2 . . . . . . . . 6476 1 417 . 1 1 33 33 LYS H H 1 8.676 0.004 . 1 . . . . . . . . 6476 1 418 . 1 1 33 33 LYS HB3 H 1 1.694 0.011 . 1 . . . . . . . . 6476 1 419 . 1 1 33 33 LYS HB2 H 1 1.482 0.012 . 1 . . . . . . . . 6476 1 420 . 1 1 34 34 LYS C C 13 178.301 0.000 . 1 . . . . . . . . 6476 1 421 . 1 1 34 34 LYS CB C 13 32.254 0.017 . 1 . . . . . . . . 6476 1 422 . 1 1 34 34 LYS CA C 13 59.013 0.033 . 1 . . . . . . . . 6476 1 423 . 1 1 34 34 LYS CG C 13 24.938 0.086 . 1 . . . . . . . . 6476 1 424 . 1 1 34 34 LYS CD C 13 28.705 0.005 . 1 . . . . . . . . 6476 1 425 . 1 1 34 34 LYS CE C 13 42.373 0.000 . 1 . . . . . . . . 6476 1 426 . 1 1 34 34 LYS N N 15 117.005 0.035 . 1 . . . . . . . . 6476 1 427 . 1 1 34 34 LYS HA H 1 3.837 0.005 . 1 . . . . . . . . 6476 1 428 . 1 1 34 34 LYS HD3 H 1 1.589 0.000 . 2 . . . . . . . . 6476 1 429 . 1 1 34 34 LYS HD2 H 1 1.717 0.003 . 2 . . . . . . . . 6476 1 430 . 1 1 34 34 LYS HE2 H 1 2.981 0.001 . 1 . . . . . . . . 6476 1 431 . 1 1 34 34 LYS HE3 H 1 2.981 0.001 . 1 . . . . . . . . 6476 1 432 . 1 1 34 34 LYS HG2 H 1 1.310 0.010 . 2 . . . . . . . . 6476 1 433 . 1 1 34 34 LYS HG3 H 1 1.442 0.008 . 2 . . . . . . . . 6476 1 434 . 1 1 34 34 LYS H H 1 7.610 0.004 . 1 . . . . . . . . 6476 1 435 . 1 1 34 34 LYS HB3 H 1 1.900 0.001 . 1 . . . . . . . . 6476 1 436 . 1 1 34 34 LYS HB2 H 1 1.900 0.001 . 1 . . . . . . . . 6476 1 437 . 1 1 35 35 TYR C C 13 180.795 0.000 . 1 . . . . . . . . 6476 1 438 . 1 1 35 35 TYR CE1 C 13 118.269 0.020 . 1 . . . . . . . . 6476 1 439 . 1 1 35 35 TYR CB C 13 39.136 0.016 . 1 . . . . . . . . 6476 1 440 . 1 1 35 35 TYR CA C 13 62.150 0.042 . 1 . . . . . . . . 6476 1 441 . 1 1 35 35 TYR N N 15 118.513 0.007 . 1 . . . . . . . . 6476 1 442 . 1 1 35 35 TYR CE2 C 13 118.269 0.020 . 1 . . . . . . . . 6476 1 443 . 1 1 35 35 TYR CD2 C 13 132.959 0.166 . 1 . . . . . . . . 6476 1 444 . 1 1 35 35 TYR HA H 1 4.230 0.012 . 1 . . . . . . . . 6476 1 445 . 1 1 35 35 TYR CD1 C 13 132.959 0.166 . 1 . . . . . . . . 6476 1 446 . 1 1 35 35 TYR H H 1 8.118 0.001 . 1 . . . . . . . . 6476 1 447 . 1 1 35 35 TYR HB3 H 1 3.202 0.023 . 1 . . . . . . . . 6476 1 448 . 1 1 35 35 TYR HB2 H 1 3.187 0.004 . 1 . . . . . . . . 6476 1 449 . 1 1 35 35 TYR HE1 H 1 6.814 0.002 . 1 . . . . . . . . 6476 1 450 . 1 1 35 35 TYR HD1 H 1 7.050 0.005 . 1 . . . . . . . . 6476 1 451 . 1 1 36 36 VAL C C 13 177.792 0.000 . 1 . . . . . . . . 6476 1 452 . 1 1 36 36 VAL HA H 1 3.658 0.009 . 1 . . . . . . . . 6476 1 453 . 1 1 36 36 VAL CB C 13 31.790 0.013 . 1 . . . . . . . . 6476 1 454 . 1 1 36 36 VAL CA C 13 67.675 0.038 . 1 . . . . . . . . 6476 1 455 . 1 1 36 36 VAL HB H 1 2.416 0.008 . 1 . . . . . . . . 6476 1 456 . 1 1 36 36 VAL N N 15 121.702 0.011 . 1 . . . . . . . . 6476 1 457 . 1 1 36 36 VAL H H 1 8.879 0.004 . 1 . . . . . . . . 6476 1 458 . 1 1 36 36 VAL CG1 C 13 22.279 0.013 . 2 . . . . . . . . 6476 1 459 . 1 1 36 36 VAL CG2 C 13 23.931 0.022 . 2 . . . . . . . . 6476 1 460 . 1 1 36 36 VAL HG21 H 1 1.376 0.007 . 1 . . . . . . . . 6476 1 461 . 1 1 36 36 VAL HG22 H 1 1.376 0.007 . 1 . . . . . . . . 6476 1 462 . 1 1 36 36 VAL HG23 H 1 1.376 0.007 . 1 . . . . . . . . 6476 1 463 . 1 1 36 36 VAL HG11 H 1 1.207 0.008 . 1 . . . . . . . . 6476 1 464 . 1 1 36 36 VAL HG12 H 1 1.207 0.008 . 1 . . . . . . . . 6476 1 465 . 1 1 36 36 VAL HG13 H 1 1.207 0.008 . 1 . . . . . . . . 6476 1 466 . 1 1 37 37 LYS C C 13 179.247 0.000 . 1 . . . . . . . . 6476 1 467 . 1 1 37 37 LYS CB C 13 32.279 0.043 . 1 . . . . . . . . 6476 1 468 . 1 1 37 37 LYS CA C 13 59.929 0.042 . 1 . . . . . . . . 6476 1 469 . 1 1 37 37 LYS CG C 13 25.486 0.079 . 1 . . . . . . . . 6476 1 470 . 1 1 37 37 LYS CD C 13 29.472 0.081 . 1 . . . . . . . . 6476 1 471 . 1 1 37 37 LYS CE C 13 41.660 0.020 . 1 . . . . . . . . 6476 1 472 . 1 1 37 37 LYS N N 15 118.589 0.004 . 1 . . . . . . . . 6476 1 473 . 1 1 37 37 LYS HA H 1 3.342 0.005 . 1 . . . . . . . . 6476 1 474 . 1 1 37 37 LYS HD3 H 1 1.335 0.008 . 1 . . . . . . . . 6476 1 475 . 1 1 37 37 LYS HD2 H 1 1.335 0.008 . 1 . . . . . . . . 6476 1 476 . 1 1 37 37 LYS HE2 H 1 2.577 0.007 . 1 . . . . . . . . 6476 1 477 . 1 1 37 37 LYS HE3 H 1 2.577 0.007 . 1 . . . . . . . . 6476 1 478 . 1 1 37 37 LYS HG2 H 1 0.728 0.009 . 2 . . . . . . . . 6476 1 479 . 1 1 37 37 LYS HG3 H 1 0.979 0.005 . 2 . . . . . . . . 6476 1 480 . 1 1 37 37 LYS H H 1 8.299 0.002 . 1 . . . . . . . . 6476 1 481 . 1 1 37 37 LYS HB3 H 1 1.625 0.008 . 1 . . . . . . . . 6476 1 482 . 1 1 37 37 LYS HB2 H 1 1.625 0.008 . 1 . . . . . . . . 6476 1 483 . 1 1 38 38 ASP C C 13 179.279 0.000 . 1 . . . . . . . . 6476 1 484 . 1 1 38 38 ASP H H 1 8.259 0.005 . 1 . . . . . . . . 6476 1 485 . 1 1 38 38 ASP CA C 13 55.895 0.070 . 1 . . . . . . . . 6476 1 486 . 1 1 38 38 ASP N N 15 115.428 0.007 . 1 . . . . . . . . 6476 1 487 . 1 1 38 38 ASP CB C 13 40.566 0.045 . 1 . . . . . . . . 6476 1 488 . 1 1 38 38 ASP HA H 1 4.185 0.007 . 1 . . . . . . . . 6476 1 489 . 1 1 38 38 ASP HB3 H 1 2.376 0.009 . 2 . . . . . . . . 6476 1 490 . 1 1 38 38 ASP HB2 H 1 2.537 0.010 . 2 . . . . . . . . 6476 1 491 . 1 1 39 39 THR C C 13 174.506 0.000 . 1 . . . . . . . . 6476 1 492 . 1 1 39 39 THR HA H 1 3.491 0.008 . 1 . . . . . . . . 6476 1 493 . 1 1 39 39 THR H H 1 7.862 0.004 . 1 . . . . . . . . 6476 1 494 . 1 1 39 39 THR CA C 13 65.213 0.077 . 1 . . . . . . . . 6476 1 495 . 1 1 39 39 THR HG1 H 1 3.770 0.003 . 1 . . . . . . . . 6476 1 496 . 1 1 39 39 THR N N 15 116.328 0.015 . 1 . . . . . . . . 6476 1 497 . 1 1 39 39 THR CB C 13 68.726 0.055 . 1 . . . . . . . . 6476 1 498 . 1 1 39 39 THR HB H 1 3.378 0.010 . 1 . . . . . . . . 6476 1 499 . 1 1 39 39 THR CG2 C 13 20.635 0.042 . 1 . . . . . . . . 6476 1 500 . 1 1 39 39 THR HG21 H 1 0.360 0.010 . 1 . . . . . . . . 6476 1 501 . 1 1 39 39 THR HG22 H 1 0.360 0.010 . 1 . . . . . . . . 6476 1 502 . 1 1 39 39 THR HG23 H 1 0.360 0.010 . 1 . . . . . . . . 6476 1 503 . 1 1 40 40 TYR CE1 C 13 117.114 0.106 . 1 . . . . . . . . 6476 1 504 . 1 1 40 40 TYR CB C 13 37.653 0.034 . 1 . . . . . . . . 6476 1 505 . 1 1 40 40 TYR CA C 13 55.000 0.035 . 1 . . . . . . . . 6476 1 506 . 1 1 40 40 TYR N N 15 119.612 0.004 . 1 . . . . . . . . 6476 1 507 . 1 1 40 40 TYR CE2 C 13 117.114 0.106 . 1 . . . . . . . . 6476 1 508 . 1 1 40 40 TYR CD2 C 13 134.195 0.117 . 1 . . . . . . . . 6476 1 509 . 1 1 40 40 TYR HA H 1 4.904 0.001 . 1 . . . . . . . . 6476 1 510 . 1 1 40 40 TYR CD1 C 13 134.195 0.117 . 1 . . . . . . . . 6476 1 511 . 1 1 40 40 TYR H H 1 7.942 0.005 . 1 . . . . . . . . 6476 1 512 . 1 1 40 40 TYR HB3 H 1 2.974 0.005 . 2 . . . . . . . . 6476 1 513 . 1 1 40 40 TYR HB2 H 1 2.800 0.008 . 2 . . . . . . . . 6476 1 514 . 1 1 40 40 TYR HE1 H 1 6.700 0.003 . 1 . . . . . . . . 6476 1 515 . 1 1 40 40 TYR HD1 H 1 7.289 0.003 . 1 . . . . . . . . 6476 1 516 . 1 1 41 41 PRO C C 13 179.968 0.000 . 1 . . . . . . . . 6476 1 517 . 1 1 41 41 PRO HA H 1 4.367 0.008 . 1 . . . . . . . . 6476 1 518 . 1 1 41 41 PRO HD3 H 1 3.236 0.005 . 2 . . . . . . . . 6476 1 519 . 1 1 41 41 PRO HD2 H 1 3.597 0.007 . 2 . . . . . . . . 6476 1 520 . 1 1 41 41 PRO CB C 13 31.757 0.062 . 1 . . . . . . . . 6476 1 521 . 1 1 41 41 PRO CA C 13 64.611 0.024 . 1 . . . . . . . . 6476 1 522 . 1 1 41 41 PRO CG C 13 27.243 0.047 . 1 . . . . . . . . 6476 1 523 . 1 1 41 41 PRO HG3 H 1 1.901 0.008 . 1 . . . . . . . . 6476 1 524 . 1 1 41 41 PRO CD C 13 50.337 0.042 . 1 . . . . . . . . 6476 1 525 . 1 1 41 41 PRO HG2 H 1 1.901 0.008 . 1 . . . . . . . . 6476 1 526 . 1 1 41 41 PRO HB3 H 1 1.907 0.005 . 2 . . . . . . . . 6476 1 527 . 1 1 41 41 PRO HB2 H 1 2.260 0.006 . 2 . . . . . . . . 6476 1 528 . 1 1 42 42 ILE C C 13 179.719 0.000 . 1 . . . . . . . . 6476 1 529 . 1 1 42 42 ILE CB C 13 37.169 0.031 . 1 . . . . . . . . 6476 1 530 . 1 1 42 42 ILE CA C 13 63.573 0.052 . 1 . . . . . . . . 6476 1 531 . 1 1 42 42 ILE N N 15 119.294 0.021 . 1 . . . . . . . . 6476 1 532 . 1 1 42 42 ILE CG1 C 13 28.567 0.045 . 1 . . . . . . . . 6476 1 533 . 1 1 42 42 ILE CD1 C 13 12.684 0.049 . 1 . . . . . . . . 6476 1 534 . 1 1 42 42 ILE HB H 1 1.951 0.007 . 1 . . . . . . . . 6476 1 535 . 1 1 42 42 ILE CG2 C 13 17.509 0.071 . 1 . . . . . . . . 6476 1 536 . 1 1 42 42 ILE HA H 1 3.943 0.005 . 1 . . . . . . . . 6476 1 537 . 1 1 42 42 ILE HG12 H 1 1.248 0.008 . 2 . . . . . . . . 6476 1 538 . 1 1 42 42 ILE HG13 H 1 1.520 0.008 . 2 . . . . . . . . 6476 1 539 . 1 1 42 42 ILE H H 1 8.332 0.006 . 1 . . . . . . . . 6476 1 540 . 1 1 42 42 ILE HG21 H 1 0.907 0.009 . 1 . . . . . . . . 6476 1 541 . 1 1 42 42 ILE HG22 H 1 0.907 0.009 . 1 . . . . . . . . 6476 1 542 . 1 1 42 42 ILE HG23 H 1 0.907 0.009 . 1 . . . . . . . . 6476 1 543 . 1 1 42 42 ILE HD11 H 1 0.868 0.006 . 1 . . . . . . . . 6476 1 544 . 1 1 42 42 ILE HD12 H 1 0.868 0.006 . 1 . . . . . . . . 6476 1 545 . 1 1 42 42 ILE HD13 H 1 0.868 0.006 . 1 . . . . . . . . 6476 1 546 . 1 1 43 43 VAL C C 13 178.895 0.000 . 1 . . . . . . . . 6476 1 547 . 1 1 43 43 VAL HA H 1 4.182 0.010 . 1 . . . . . . . . 6476 1 548 . 1 1 43 43 VAL CB C 13 31.615 0.039 . 1 . . . . . . . . 6476 1 549 . 1 1 43 43 VAL CA C 13 64.021 0.035 . 1 . . . . . . . . 6476 1 550 . 1 1 43 43 VAL HB H 1 2.390 0.005 . 1 . . . . . . . . 6476 1 551 . 1 1 43 43 VAL N N 15 118.581 0.006 . 1 . . . . . . . . 6476 1 552 . 1 1 43 43 VAL H H 1 7.479 0.006 . 1 . . . . . . . . 6476 1 553 . 1 1 43 43 VAL CG1 C 13 21.169 0.026 . 1 . . . . . . . . 6476 1 554 . 1 1 43 43 VAL CG2 C 13 21.178 0.025 . 1 . . . . . . . . 6476 1 555 . 1 1 43 43 VAL HG21 H 1 0.888 0.006 . 1 . . . . . . . . 6476 1 556 . 1 1 43 43 VAL HG22 H 1 0.888 0.006 . 1 . . . . . . . . 6476 1 557 . 1 1 43 43 VAL HG23 H 1 0.888 0.006 . 1 . . . . . . . . 6476 1 558 . 1 1 43 43 VAL HG11 H 1 0.888 0.006 . 1 . . . . . . . . 6476 1 559 . 1 1 43 43 VAL HG12 H 1 0.888 0.006 . 1 . . . . . . . . 6476 1 560 . 1 1 43 43 VAL HG13 H 1 0.888 0.006 . 1 . . . . . . . . 6476 1 561 . 1 1 44 44 GLY C C 13 174.665 0.000 . 1 . . . . . . . . 6476 1 562 . 1 1 44 44 GLY H H 1 8.465 0.002 . 1 . . . . . . . . 6476 1 563 . 1 1 44 44 GLY HA2 H 1 3.446 0.007 . 2 . . . . . . . . 6476 1 564 . 1 1 44 44 GLY HA3 H 1 3.036 0.006 . 2 . . . . . . . . 6476 1 565 . 1 1 44 44 GLY CA C 13 46.194 0.028 . 1 . . . . . . . . 6476 1 566 . 1 1 44 44 GLY N N 15 105.524 0.026 . 1 . . . . . . . . 6476 1 567 . 1 1 45 45 SER C C 13 175.583 0.000 . 1 . . . . . . . . 6476 1 568 . 1 1 45 45 SER H H 1 7.564 0.005 . 1 . . . . . . . . 6476 1 569 . 1 1 45 45 SER CA C 13 57.818 0.003 . 1 . . . . . . . . 6476 1 570 . 1 1 45 45 SER N N 15 111.506 0.016 . 1 . . . . . . . . 6476 1 571 . 1 1 45 45 SER CB C 13 63.940 0.076 . 1 . . . . . . . . 6476 1 572 . 1 1 45 45 SER HA H 1 4.453 0.000 . 1 . . . . . . . . 6476 1 573 . 1 1 45 45 SER HB3 H 1 3.956 0.000 . 2 . . . . . . . . 6476 1 574 . 1 1 45 45 SER HB2 H 1 4.010 0.000 . 2 . . . . . . . . 6476 1 575 . 1 1 46 46 ALA H H 1 7.912 0.002 . 1 . . . . . . . . 6476 1 576 . 1 1 46 46 ALA CA C 13 52.620 0.028 . 1 . . . . . . . . 6476 1 577 . 1 1 46 46 ALA N N 15 108.875 0.004 . 1 . . . . . . . . 6476 1 578 . 1 1 46 46 ALA CB C 13 19.373 0.016 . 1 . . . . . . . . 6476 1 579 . 1 1 46 46 ALA HA H 1 4.435 0.010 . 1 . . . . . . . . 6476 1 580 . 1 1 46 46 ALA HB1 H 1 1.760 0.009 . 1 . . . . . . . . 6476 1 581 . 1 1 46 46 ALA HB2 H 1 1.760 0.009 . 1 . . . . . . . . 6476 1 582 . 1 1 46 46 ALA HB3 H 1 1.760 0.009 . 1 . . . . . . . . 6476 1 583 . 1 1 47 47 SER C C 13 176.465 0.000 . 1 . . . . . . . . 6476 1 584 . 1 1 47 47 SER H H 1 9.264 0.008 . 1 . . . . . . . . 6476 1 585 . 1 1 47 47 SER CA C 13 60.892 0.046 . 1 . . . . . . . . 6476 1 586 . 1 1 47 47 SER N N 15 119.216 0.009 . 1 . . . . . . . . 6476 1 587 . 1 1 47 47 SER CB C 13 62.601 0.003 . 1 . . . . . . . . 6476 1 588 . 1 1 47 47 SER HA H 1 4.292 0.009 . 1 . . . . . . . . 6476 1 589 . 1 1 47 47 SER HB3 H 1 3.991 0.001 . 1 . . . . . . . . 6476 1 590 . 1 1 47 47 SER HB2 H 1 3.991 0.001 . 1 . . . . . . . . 6476 1 591 . 1 1 48 48 ASN C C 13 175.791 0.000 . 1 . . . . . . . . 6476 1 592 . 1 1 48 48 ASN ND2 N 15 109.697 0.001 . 1 . . . . . . . . 6476 1 593 . 1 1 48 48 ASN HD22 H 1 7.698 0.001 . 2 . . . . . . . . 6476 1 594 . 1 1 48 48 ASN HD21 H 1 6.873 0.002 . 2 . . . . . . . . 6476 1 595 . 1 1 48 48 ASN H H 1 8.206 0.004 . 1 . . . . . . . . 6476 1 596 . 1 1 48 48 ASN CA C 13 51.744 0.041 . 1 . . . . . . . . 6476 1 597 . 1 1 48 48 ASN CG C 13 178.519 0.003 . 1 . . . . . . . . 6476 1 598 . 1 1 48 48 ASN N N 15 117.173 0.003 . 1 . . . . . . . . 6476 1 599 . 1 1 48 48 ASN CB C 13 37.373 0.047 . 1 . . . . . . . . 6476 1 600 . 1 1 48 48 ASN HA H 1 5.088 0.010 . 1 . . . . . . . . 6476 1 601 . 1 1 48 48 ASN HB3 H 1 2.839 0.013 . 2 . . . . . . . . 6476 1 602 . 1 1 48 48 ASN HB2 H 1 3.167 0.010 . 2 . . . . . . . . 6476 1 603 . 1 1 49 49 PHE HZ H 1 6.865 0.003 . 1 . . . . . . . . 6476 1 604 . 1 1 49 49 PHE C C 13 177.535 0.000 . 1 . . . . . . . . 6476 1 605 . 1 1 49 49 PHE CE1 C 13 129.658 0.085 . 1 . . . . . . . . 6476 1 606 . 1 1 49 49 PHE CB C 13 39.586 0.048 . 1 . . . . . . . . 6476 1 607 . 1 1 49 49 PHE CA C 13 61.417 0.052 . 1 . . . . . . . . 6476 1 608 . 1 1 49 49 PHE N N 15 119.063 0.005 . 1 . . . . . . . . 6476 1 609 . 1 1 49 49 PHE CE2 C 13 129.658 0.085 . 1 . . . . . . . . 6476 1 610 . 1 1 49 49 PHE CD2 C 13 133.653 0.002 . 1 . . . . . . . . 6476 1 611 . 1 1 49 49 PHE HA H 1 4.513 0.011 . 1 . . . . . . . . 6476 1 612 . 1 1 49 49 PHE CD1 C 13 133.653 0.002 . 1 . . . . . . . . 6476 1 613 . 1 1 49 49 PHE CZ C 13 128.368 0.007 . 1 . . . . . . . . 6476 1 614 . 1 1 49 49 PHE H H 1 7.631 0.004 . 1 . . . . . . . . 6476 1 615 . 1 1 49 49 PHE HB3 H 1 2.952 0.013 . 2 . . . . . . . . 6476 1 616 . 1 1 49 49 PHE HB2 H 1 3.772 0.012 . 2 . . . . . . . . 6476 1 617 . 1 1 49 49 PHE HE1 H 1 6.891 0.004 . 1 . . . . . . . . 6476 1 618 . 1 1 49 49 PHE HD1 H 1 7.544 0.002 . 1 . . . . . . . . 6476 1 619 . 1 1 50 50 ASP C C 13 178.877 0.000 . 1 . . . . . . . . 6476 1 620 . 1 1 50 50 ASP H H 1 8.748 0.001 . 1 . . . . . . . . 6476 1 621 . 1 1 50 50 ASP CA C 13 58.723 0.025 . 1 . . . . . . . . 6476 1 622 . 1 1 50 50 ASP N N 15 116.674 0.014 . 1 . . . . . . . . 6476 1 623 . 1 1 50 50 ASP CB C 13 40.587 0.031 . 1 . . . . . . . . 6476 1 624 . 1 1 50 50 ASP HA H 1 3.934 0.007 . 1 . . . . . . . . 6476 1 625 . 1 1 50 50 ASP HB3 H 1 2.591 0.000 . 2 . . . . . . . . 6476 1 626 . 1 1 50 50 ASP HB2 H 1 2.672 0.000 . 2 . . . . . . . . 6476 1 627 . 1 1 51 51 TYR C C 13 179.965 0.000 . 1 . . . . . . . . 6476 1 628 . 1 1 51 51 TYR CE1 C 13 118.216 0.000 . 1 . . . . . . . . 6476 1 629 . 1 1 51 51 TYR CB C 13 38.518 0.066 . 1 . . . . . . . . 6476 1 630 . 1 1 51 51 TYR CA C 13 61.065 0.028 . 1 . . . . . . . . 6476 1 631 . 1 1 51 51 TYR N N 15 118.727 0.004 . 1 . . . . . . . . 6476 1 632 . 1 1 51 51 TYR CE2 C 13 118.216 0.000 . 1 . . . . . . . . 6476 1 633 . 1 1 51 51 TYR CD2 C 13 132.879 0.014 . 1 . . . . . . . . 6476 1 634 . 1 1 51 51 TYR HA H 1 4.168 0.007 . 1 . . . . . . . . 6476 1 635 . 1 1 51 51 TYR CD1 C 13 132.879 0.014 . 1 . . . . . . . . 6476 1 636 . 1 1 51 51 TYR H H 1 7.984 0.002 . 1 . . . . . . . . 6476 1 637 . 1 1 51 51 TYR HB3 H 1 3.190 0.010 . 2 . . . . . . . . 6476 1 638 . 1 1 51 51 TYR HB2 H 1 2.848 0.012 . 2 . . . . . . . . 6476 1 639 . 1 1 51 51 TYR HE1 H 1 6.815 0.005 . 1 . . . . . . . . 6476 1 640 . 1 1 51 51 TYR HD1 H 1 7.023 0.001 . 1 . . . . . . . . 6476 1 641 . 1 1 52 52 LEU C C 13 180.806 0.000 . 1 . . . . . . . . 6476 1 642 . 1 1 52 52 LEU CB C 13 39.641 0.048 . 1 . . . . . . . . 6476 1 643 . 1 1 52 52 LEU CA C 13 57.437 0.047 . 1 . . . . . . . . 6476 1 644 . 1 1 52 52 LEU CG C 13 26.840 0.048 . 1 . . . . . . . . 6476 1 645 . 1 1 52 52 LEU N N 15 121.654 0.008 . 1 . . . . . . . . 6476 1 646 . 1 1 52 52 LEU CD1 C 13 21.777 0.014 . 1 . . . . . . . . 6476 1 647 . 1 1 52 52 LEU CD2 C 13 25.578 0.019 . 1 . . . . . . . . 6476 1 648 . 1 1 52 52 LEU HA H 1 3.505 0.007 . 1 . . . . . . . . 6476 1 649 . 1 1 52 52 LEU HG H 1 1.655 0.005 . 1 . . . . . . . . 6476 1 650 . 1 1 52 52 LEU H H 1 8.191 0.001 . 1 . . . . . . . . 6476 1 651 . 1 1 52 52 LEU HB3 H 1 -0.002 0.006 . 2 . . . . . . . . 6476 1 652 . 1 1 52 52 LEU HB2 H 1 1.270 0.009 . 2 . . . . . . . . 6476 1 653 . 1 1 52 52 LEU HD21 H 1 0.773 0.002 . 1 . . . . . . . . 6476 1 654 . 1 1 52 52 LEU HD22 H 1 0.773 0.002 . 1 . . . . . . . . 6476 1 655 . 1 1 52 52 LEU HD23 H 1 0.773 0.002 . 1 . . . . . . . . 6476 1 656 . 1 1 52 52 LEU HD11 H 1 0.720 0.002 . 1 . . . . . . . . 6476 1 657 . 1 1 52 52 LEU HD12 H 1 0.720 0.002 . 1 . . . . . . . . 6476 1 658 . 1 1 52 52 LEU HD13 H 1 0.720 0.002 . 1 . . . . . . . . 6476 1 659 . 1 1 53 53 PHE HZ H 1 7.083 0.007 . 1 . . . . . . . . 6476 1 660 . 1 1 53 53 PHE C C 13 177.160 0.000 . 1 . . . . . . . . 6476 1 661 . 1 1 53 53 PHE CE1 C 13 130.709 0.136 . 1 . . . . . . . . 6476 1 662 . 1 1 53 53 PHE CB C 13 39.256 0.041 . 1 . . . . . . . . 6476 1 663 . 1 1 53 53 PHE CA C 13 62.067 0.026 . 1 . . . . . . . . 6476 1 664 . 1 1 53 53 PHE N N 15 122.195 0.002 . 1 . . . . . . . . 6476 1 665 . 1 1 53 53 PHE CE2 C 13 130.709 0.136 . 1 . . . . . . . . 6476 1 666 . 1 1 53 53 PHE CD2 C 13 131.900 0.043 . 1 . . . . . . . . 6476 1 667 . 1 1 53 53 PHE HA H 1 3.780 0.010 . 1 . . . . . . . . 6476 1 668 . 1 1 53 53 PHE CD1 C 13 131.900 0.043 . 1 . . . . . . . . 6476 1 669 . 1 1 53 53 PHE CZ C 13 128.646 0.123 . 1 . . . . . . . . 6476 1 670 . 1 1 53 53 PHE H H 1 9.071 0.002 . 1 . . . . . . . . 6476 1 671 . 1 1 53 53 PHE HB3 H 1 2.232 0.003 . 2 . . . . . . . . 6476 1 672 . 1 1 53 53 PHE HB2 H 1 2.726 0.002 . 2 . . . . . . . . 6476 1 673 . 1 1 53 53 PHE HE1 H 1 7.197 0.002 . 1 . . . . . . . . 6476 1 674 . 1 1 53 53 PHE HD1 H 1 7.086 0.001 . 1 . . . . . . . . 6476 1 675 . 1 1 54 54 ASN C C 13 179.908 0.000 . 1 . . . . . . . . 6476 1 676 . 1 1 54 54 ASN ND2 N 15 112.867 0.000 . 1 . . . . . . . . 6476 1 677 . 1 1 54 54 ASN HD22 H 1 7.615 0.001 . 2 . . . . . . . . 6476 1 678 . 1 1 54 54 ASN HD21 H 1 7.114 0.002 . 2 . . . . . . . . 6476 1 679 . 1 1 54 54 ASN H H 1 8.429 0.003 . 1 . . . . . . . . 6476 1 680 . 1 1 54 54 ASN CA C 13 56.036 0.028 . 1 . . . . . . . . 6476 1 681 . 1 1 54 54 ASN CG C 13 177.204 0.010 . 1 . . . . . . . . 6476 1 682 . 1 1 54 54 ASN N N 15 117.155 0.019 . 1 . . . . . . . . 6476 1 683 . 1 1 54 54 ASN CB C 13 37.585 0.047 . 1 . . . . . . . . 6476 1 684 . 1 1 54 54 ASN HA H 1 4.126 0.009 . 1 . . . . . . . . 6476 1 685 . 1 1 54 54 ASN HB3 H 1 2.650 0.008 . 2 . . . . . . . . 6476 1 686 . 1 1 54 54 ASN HB2 H 1 2.856 0.007 . 2 . . . . . . . . 6476 1 687 . 1 1 55 55 SER C C 13 176.948 0.000 . 1 . . . . . . . . 6476 1 688 . 1 1 55 55 SER H H 1 8.066 0.003 . 1 . . . . . . . . 6476 1 689 . 1 1 55 55 SER CA C 13 61.261 0.058 . 1 . . . . . . . . 6476 1 690 . 1 1 55 55 SER N N 15 115.309 0.027 . 1 . . . . . . . . 6476 1 691 . 1 1 55 55 SER CB C 13 62.571 0.080 . 1 . . . . . . . . 6476 1 692 . 1 1 55 55 SER HA H 1 3.974 0.009 . 1 . . . . . . . . 6476 1 693 . 1 1 55 55 SER HB3 H 1 3.567 0.009 . 2 . . . . . . . . 6476 1 694 . 1 1 55 55 SER HB2 H 1 3.862 0.000 . 2 . . . . . . . . 6476 1 695 . 1 1 56 56 ALA C C 13 181.188 0.000 . 1 . . . . . . . . 6476 1 696 . 1 1 56 56 ALA H H 1 7.634 0.004 . 1 . . . . . . . . 6476 1 697 . 1 1 56 56 ALA CA C 13 54.739 0.031 . 1 . . . . . . . . 6476 1 698 . 1 1 56 56 ALA N N 15 123.538 0.009 . 1 . . . . . . . . 6476 1 699 . 1 1 56 56 ALA CB C 13 18.564 0.049 . 1 . . . . . . . . 6476 1 700 . 1 1 56 56 ALA HA H 1 4.101 0.010 . 1 . . . . . . . . 6476 1 701 . 1 1 56 56 ALA HB1 H 1 1.256 0.010 . 1 . . . . . . . . 6476 1 702 . 1 1 56 56 ALA HB2 H 1 1.256 0.010 . 1 . . . . . . . . 6476 1 703 . 1 1 56 56 ALA HB3 H 1 1.256 0.010 . 1 . . . . . . . . 6476 1 704 . 1 1 57 57 ILE C C 13 178.084 0.000 . 1 . . . . . . . . 6476 1 705 . 1 1 57 57 ILE CB C 13 36.141 0.029 . 1 . . . . . . . . 6476 1 706 . 1 1 57 57 ILE CA C 13 64.097 0.037 . 1 . . . . . . . . 6476 1 707 . 1 1 57 57 ILE N N 15 118.440 0.017 . 1 . . . . . . . . 6476 1 708 . 1 1 57 57 ILE CG1 C 13 27.927 0.036 . 1 . . . . . . . . 6476 1 709 . 1 1 57 57 ILE CD1 C 13 11.919 0.031 . 1 . . . . . . . . 6476 1 710 . 1 1 57 57 ILE HB H 1 1.755 0.009 . 1 . . . . . . . . 6476 1 711 . 1 1 57 57 ILE CG2 C 13 16.629 0.037 . 1 . . . . . . . . 6476 1 712 . 1 1 57 57 ILE HA H 1 3.288 0.007 . 1 . . . . . . . . 6476 1 713 . 1 1 57 57 ILE HG12 H 1 1.047 0.006 . 2 . . . . . . . . 6476 1 714 . 1 1 57 57 ILE HG13 H 1 0.700 0.009 . 2 . . . . . . . . 6476 1 715 . 1 1 57 57 ILE H H 1 7.897 0.004 . 1 . . . . . . . . 6476 1 716 . 1 1 57 57 ILE HG21 H 1 0.647 0.006 . 1 . . . . . . . . 6476 1 717 . 1 1 57 57 ILE HG22 H 1 0.647 0.006 . 1 . . . . . . . . 6476 1 718 . 1 1 57 57 ILE HG23 H 1 0.647 0.006 . 1 . . . . . . . . 6476 1 719 . 1 1 57 57 ILE HD11 H 1 0.378 0.006 . 1 . . . . . . . . 6476 1 720 . 1 1 57 57 ILE HD12 H 1 0.378 0.006 . 1 . . . . . . . . 6476 1 721 . 1 1 57 57 ILE HD13 H 1 0.378 0.006 . 1 . . . . . . . . 6476 1 722 . 1 1 58 58 LYS C C 13 180.256 0.000 . 1 . . . . . . . . 6476 1 723 . 1 1 58 58 LYS CB C 13 32.337 0.058 . 1 . . . . . . . . 6476 1 724 . 1 1 58 58 LYS CA C 13 59.764 0.059 . 1 . . . . . . . . 6476 1 725 . 1 1 58 58 LYS CG C 13 24.942 0.015 . 1 . . . . . . . . 6476 1 726 . 1 1 58 58 LYS CD C 13 29.535 0.013 . 1 . . . . . . . . 6476 1 727 . 1 1 58 58 LYS CE C 13 41.883 0.026 . 1 . . . . . . . . 6476 1 728 . 1 1 58 58 LYS N N 15 118.325 0.010 . 1 . . . . . . . . 6476 1 729 . 1 1 58 58 LYS HA H 1 3.846 0.006 . 1 . . . . . . . . 6476 1 730 . 1 1 58 58 LYS HD3 H 1 1.625 0.002 . 1 . . . . . . . . 6476 1 731 . 1 1 58 58 LYS HD2 H 1 1.625 0.002 . 1 . . . . . . . . 6476 1 732 . 1 1 58 58 LYS HE2 H 1 2.919 0.006 . 1 . . . . . . . . 6476 1 733 . 1 1 58 58 LYS HE3 H 1 2.919 0.006 . 1 . . . . . . . . 6476 1 734 . 1 1 58 58 LYS HG2 H 1 1.308 0.001 . 2 . . . . . . . . 6476 1 735 . 1 1 58 58 LYS HG3 H 1 1.445 0.012 . 2 . . . . . . . . 6476 1 736 . 1 1 58 58 LYS H H 1 7.527 0.003 . 1 . . . . . . . . 6476 1 737 . 1 1 58 58 LYS HB3 H 1 1.832 0.002 . 2 . . . . . . . . 6476 1 738 . 1 1 58 58 LYS HB2 H 1 1.880 0.007 . 2 . . . . . . . . 6476 1 739 . 1 1 59 59 LYS C C 13 180.136 0.000 . 1 . . . . . . . . 6476 1 740 . 1 1 59 59 LYS CB C 13 31.738 0.007 . 1 . . . . . . . . 6476 1 741 . 1 1 59 59 LYS CA C 13 58.829 0.045 . 1 . . . . . . . . 6476 1 742 . 1 1 59 59 LYS CG C 13 24.846 0.042 . 1 . . . . . . . . 6476 1 743 . 1 1 59 59 LYS CD C 13 28.818 0.001 . 1 . . . . . . . . 6476 1 744 . 1 1 59 59 LYS CE C 13 41.872 0.001 . 1 . . . . . . . . 6476 1 745 . 1 1 59 59 LYS N N 15 118.586 0.011 . 1 . . . . . . . . 6476 1 746 . 1 1 59 59 LYS HA H 1 4.104 0.007 . 1 . . . . . . . . 6476 1 747 . 1 1 59 59 LYS HD3 H 1 1.639 0.008 . 1 . . . . . . . . 6476 1 748 . 1 1 59 59 LYS HD2 H 1 1.639 0.008 . 1 . . . . . . . . 6476 1 749 . 1 1 59 59 LYS HE2 H 1 2.913 0.000 . 1 . . . . . . . . 6476 1 750 . 1 1 59 59 LYS HE3 H 1 2.913 0.000 . 1 . . . . . . . . 6476 1 751 . 1 1 59 59 LYS HG2 H 1 1.502 0.005 . 1 . . . . . . . . 6476 1 752 . 1 1 59 59 LYS HG3 H 1 1.502 0.005 . 1 . . . . . . . . 6476 1 753 . 1 1 59 59 LYS H H 1 7.904 0.002 . 1 . . . . . . . . 6476 1 754 . 1 1 59 59 LYS HB3 H 1 1.889 0.001 . 2 . . . . . . . . 6476 1 755 . 1 1 59 59 LYS HB2 H 1 1.939 0.000 . 2 . . . . . . . . 6476 1 756 . 1 1 60 60 CYS C C 13 179.328 0.000 . 1 . . . . . . . . 6476 1 757 . 1 1 60 60 CYS H H 1 8.245 0.006 . 1 . . . . . . . . 6476 1 758 . 1 1 60 60 CYS CA C 13 63.236 0.055 . 1 . . . . . . . . 6476 1 759 . 1 1 60 60 CYS N N 15 117.035 0.016 . 1 . . . . . . . . 6476 1 760 . 1 1 60 60 CYS CB C 13 27.706 0.038 . 1 . . . . . . . . 6476 1 761 . 1 1 60 60 CYS HA H 1 4.547 0.009 . 1 . . . . . . . . 6476 1 762 . 1 1 60 60 CYS HB3 H 1 2.708 0.007 . 2 . . . . . . . . 6476 1 763 . 1 1 60 60 CYS HB2 H 1 3.100 0.010 . 2 . . . . . . . . 6476 1 764 . 1 1 61 61 VAL C C 13 181.611 0.000 . 1 . . . . . . . . 6476 1 765 . 1 1 61 61 VAL HA H 1 4.163 0.008 . 1 . . . . . . . . 6476 1 766 . 1 1 61 61 VAL CB C 13 31.549 0.045 . 1 . . . . . . . . 6476 1 767 . 1 1 61 61 VAL CA C 13 65.186 0.038 . 1 . . . . . . . . 6476 1 768 . 1 1 61 61 VAL HB H 1 2.155 0.008 . 1 . . . . . . . . 6476 1 769 . 1 1 61 61 VAL N N 15 121.818 0.033 . 1 . . . . . . . . 6476 1 770 . 1 1 61 61 VAL H H 1 8.465 0.004 . 1 . . . . . . . . 6476 1 771 . 1 1 61 61 VAL CG1 C 13 22.649 0.003 . 1 . . . . . . . . 6476 1 772 . 1 1 61 61 VAL CG2 C 13 21.160 0.013 . 1 . . . . . . . . 6476 1 773 . 1 1 61 61 VAL HG21 H 1 0.924 0.011 . 1 . . . . . . . . 6476 1 774 . 1 1 61 61 VAL HG22 H 1 0.924 0.011 . 1 . . . . . . . . 6476 1 775 . 1 1 61 61 VAL HG23 H 1 0.924 0.011 . 1 . . . . . . . . 6476 1 776 . 1 1 61 61 VAL HG11 H 1 0.787 0.007 . 1 . . . . . . . . 6476 1 777 . 1 1 61 61 VAL HG12 H 1 0.787 0.007 . 1 . . . . . . . . 6476 1 778 . 1 1 61 61 VAL HG13 H 1 0.787 0.007 . 1 . . . . . . . . 6476 1 779 . 1 1 62 62 GLU C C 13 179.528 0.000 . 1 . . . . . . . . 6476 1 780 . 1 1 62 62 GLU H H 1 8.550 0.004 . 1 . . . . . . . . 6476 1 781 . 1 1 62 62 GLU CA C 13 59.416 0.050 . 1 . . . . . . . . 6476 1 782 . 1 1 62 62 GLU CG C 13 36.335 0.041 . 1 . . . . . . . . 6476 1 783 . 1 1 62 62 GLU HG3 H 1 2.248 0.013 . 2 . . . . . . . . 6476 1 784 . 1 1 62 62 GLU N N 15 122.637 0.022 . 1 . . . . . . . . 6476 1 785 . 1 1 62 62 GLU HB3 H 1 2.207 0.018 . 2 . . . . . . . . 6476 1 786 . 1 1 62 62 GLU CB C 13 29.251 0.048 . 1 . . . . . . . . 6476 1 787 . 1 1 62 62 GLU HA H 1 3.995 0.009 . 1 . . . . . . . . 6476 1 788 . 1 1 62 62 GLU HG2 H 1 2.436 0.008 . 2 . . . . . . . . 6476 1 789 . 1 1 62 62 GLU HB2 H 1 2.055 0.009 . 2 . . . . . . . . 6476 1 790 . 1 1 63 63 ASN C C 13 176.987 0.000 . 1 . . . . . . . . 6476 1 791 . 1 1 63 63 ASN ND2 N 15 111.678 0.007 . 1 . . . . . . . . 6476 1 792 . 1 1 63 63 ASN HD22 H 1 6.961 0.003 . 2 . . . . . . . . 6476 1 793 . 1 1 63 63 ASN HD21 H 1 7.773 0.001 . 2 . . . . . . . . 6476 1 794 . 1 1 63 63 ASN H H 1 8.201 0.001 . 1 . . . . . . . . 6476 1 795 . 1 1 63 63 ASN CA C 13 53.238 0.036 . 1 . . . . . . . . 6476 1 796 . 1 1 63 63 ASN CG C 13 177.834 0.000 . 1 . . . . . . . . 6476 1 797 . 1 1 63 63 ASN N N 15 113.723 0.014 . 1 . . . . . . . . 6476 1 798 . 1 1 63 63 ASN CB C 13 38.892 0.043 . 1 . . . . . . . . 6476 1 799 . 1 1 63 63 ASN HA H 1 4.725 0.008 . 1 . . . . . . . . 6476 1 800 . 1 1 63 63 ASN HB3 H 1 2.877 0.019 . 2 . . . . . . . . 6476 1 801 . 1 1 63 63 ASN HB2 H 1 2.952 0.015 . 2 . . . . . . . . 6476 1 802 . 1 1 64 64 GLY C C 13 175.257 0.000 . 1 . . . . . . . . 6476 1 803 . 1 1 64 64 GLY H H 1 7.832 0.003 . 1 . . . . . . . . 6476 1 804 . 1 1 64 64 GLY HA2 H 1 4.175 0.011 . 2 . . . . . . . . 6476 1 805 . 1 1 64 64 GLY HA3 H 1 3.901 0.004 . 2 . . . . . . . . 6476 1 806 . 1 1 64 64 GLY CA C 13 45.750 0.028 . 1 . . . . . . . . 6476 1 807 . 1 1 64 64 GLY N N 15 107.208 0.008 . 1 . . . . . . . . 6476 1 808 . 1 1 65 65 GLU C C 13 178.701 0.000 . 1 . . . . . . . . 6476 1 809 . 1 1 65 65 GLU H H 1 8.427 0.005 . 1 . . . . . . . . 6476 1 810 . 1 1 65 65 GLU CA C 13 58.794 0.050 . 1 . . . . . . . . 6476 1 811 . 1 1 65 65 GLU CG C 13 36.857 0.040 . 1 . . . . . . . . 6476 1 812 . 1 1 65 65 GLU HG3 H 1 2.106 0.004 . 2 . . . . . . . . 6476 1 813 . 1 1 65 65 GLU N N 15 118.429 0.004 . 1 . . . . . . . . 6476 1 814 . 1 1 65 65 GLU HB3 H 1 2.065 0.029 . 1 . . . . . . . . 6476 1 815 . 1 1 65 65 GLU CB C 13 30.483 0.026 . 1 . . . . . . . . 6476 1 816 . 1 1 65 65 GLU HA H 1 4.159 0.009 . 1 . . . . . . . . 6476 1 817 . 1 1 65 65 GLU HG2 H 1 2.315 0.001 . 2 . . . . . . . . 6476 1 818 . 1 1 65 65 GLU HB2 H 1 2.065 0.029 . 1 . . . . . . . . 6476 1 819 . 1 1 66 66 LEU C C 13 176.141 0.000 . 1 . . . . . . . . 6476 1 820 . 1 1 66 66 LEU CB C 13 46.050 0.025 . 1 . . . . . . . . 6476 1 821 . 1 1 66 66 LEU CA C 13 51.842 0.072 . 1 . . . . . . . . 6476 1 822 . 1 1 66 66 LEU CG C 13 26.985 0.082 . 1 . . . . . . . . 6476 1 823 . 1 1 66 66 LEU N N 15 114.005 0.004 . 1 . . . . . . . . 6476 1 824 . 1 1 66 66 LEU CD1 C 13 25.469 0.048 . 1 . . . . . . . . 6476 1 825 . 1 1 66 66 LEU CD2 C 13 23.696 0.008 . 1 . . . . . . . . 6476 1 826 . 1 1 66 66 LEU HA H 1 5.086 0.011 . 1 . . . . . . . . 6476 1 827 . 1 1 66 66 LEU HG H 1 1.349 0.010 . 1 . . . . . . . . 6476 1 828 . 1 1 66 66 LEU H H 1 7.122 0.005 . 1 . . . . . . . . 6476 1 829 . 1 1 66 66 LEU HB3 H 1 1.229 0.004 . 1 . . . . . . . . 6476 1 830 . 1 1 66 66 LEU HB2 H 1 1.228 0.004 . 1 . . . . . . . . 6476 1 831 . 1 1 66 66 LEU HD21 H 1 0.824 0.004 . 1 . . . . . . . . 6476 1 832 . 1 1 66 66 LEU HD22 H 1 0.824 0.004 . 1 . . . . . . . . 6476 1 833 . 1 1 66 66 LEU HD23 H 1 0.824 0.004 . 1 . . . . . . . . 6476 1 834 . 1 1 66 66 LEU HD11 H 1 0.734 0.001 . 1 . . . . . . . . 6476 1 835 . 1 1 66 66 LEU HD12 H 1 0.734 0.001 . 1 . . . . . . . . 6476 1 836 . 1 1 66 66 LEU HD13 H 1 0.734 0.001 . 1 . . . . . . . . 6476 1 837 . 1 1 67 67 VAL C C 13 175.102 0.000 . 1 . . . . . . . . 6476 1 838 . 1 1 67 67 VAL HA H 1 4.366 0.009 . 1 . . . . . . . . 6476 1 839 . 1 1 67 67 VAL CB C 13 35.222 0.017 . 1 . . . . . . . . 6476 1 840 . 1 1 67 67 VAL CA C 13 60.117 0.022 . 1 . . . . . . . . 6476 1 841 . 1 1 67 67 VAL HB H 1 1.870 0.008 . 1 . . . . . . . . 6476 1 842 . 1 1 67 67 VAL N N 15 115.617 0.016 . 1 . . . . . . . . 6476 1 843 . 1 1 67 67 VAL H H 1 9.142 0.004 . 1 . . . . . . . . 6476 1 844 . 1 1 67 67 VAL CG1 C 13 19.875 0.011 . 1 . . . . . . . . 6476 1 845 . 1 1 67 67 VAL CG2 C 13 21.266 0.040 . 1 . . . . . . . . 6476 1 846 . 1 1 67 67 VAL HG21 H 1 0.799 0.007 . 1 . . . . . . . . 6476 1 847 . 1 1 67 67 VAL HG22 H 1 0.799 0.007 . 1 . . . . . . . . 6476 1 848 . 1 1 67 67 VAL HG23 H 1 0.799 0.007 . 1 . . . . . . . . 6476 1 849 . 1 1 67 67 VAL HG11 H 1 0.724 0.007 . 1 . . . . . . . . 6476 1 850 . 1 1 67 67 VAL HG12 H 1 0.724 0.007 . 1 . . . . . . . . 6476 1 851 . 1 1 67 67 VAL HG13 H 1 0.724 0.007 . 1 . . . . . . . . 6476 1 852 . 1 1 68 68 GLN HA H 1 5.249 0.010 . 1 . . . . . . . . 6476 1 853 . 1 1 68 68 GLN CB C 13 30.163 0.049 . 1 . . . . . . . . 6476 1 854 . 1 1 68 68 GLN CA C 13 52.581 0.032 . 1 . . . . . . . . 6476 1 855 . 1 1 68 68 GLN CG C 13 34.726 0.022 . 1 . . . . . . . . 6476 1 856 . 1 1 68 68 GLN HG3 H 1 2.205 0.010 . 2 . . . . . . . . 6476 1 857 . 1 1 68 68 GLN CD C 13 180.939 0.018 . 1 . . . . . . . . 6476 1 858 . 1 1 68 68 GLN N N 15 122.325 0.023 . 1 . . . . . . . . 6476 1 859 . 1 1 68 68 GLN H H 1 8.860 0.005 . 1 . . . . . . . . 6476 1 860 . 1 1 68 68 GLN HE22 H 1 7.017 0.003 . 2 . . . . . . . . 6476 1 861 . 1 1 68 68 GLN HE21 H 1 6.708 0.002 . 2 . . . . . . . . 6476 1 862 . 1 1 68 68 GLN HG2 H 1 2.005 0.006 . 2 . . . . . . . . 6476 1 863 . 1 1 68 68 GLN NE2 N 15 110.200 0.000 . 1 . . . . . . . . 6476 1 864 . 1 1 68 68 GLN HB3 H 1 1.812 0.000 . 1 . . . . . . . . 6476 1 865 . 1 1 68 68 GLN HB2 H 1 1.812 0.000 . 1 . . . . . . . . 6476 1 866 . 1 1 69 69 PRO C C 13 178.391 0.000 . 1 . . . . . . . . 6476 1 867 . 1 1 69 69 PRO HA H 1 4.371 0.008 . 1 . . . . . . . . 6476 1 868 . 1 1 69 69 PRO HD3 H 1 3.380 0.006 . 2 . . . . . . . . 6476 1 869 . 1 1 69 69 PRO HD2 H 1 3.866 0.007 . 2 . . . . . . . . 6476 1 870 . 1 1 69 69 PRO CB C 13 32.470 0.025 . 1 . . . . . . . . 6476 1 871 . 1 1 69 69 PRO CA C 13 64.087 0.024 . 1 . . . . . . . . 6476 1 872 . 1 1 69 69 PRO CG C 13 27.113 0.018 . 1 . . . . . . . . 6476 1 873 . 1 1 69 69 PRO HG3 H 1 1.870 0.004 . 1 . . . . . . . . 6476 1 874 . 1 1 69 69 PRO CD C 13 50.084 0.030 . 1 . . . . . . . . 6476 1 875 . 1 1 69 69 PRO HG2 H 1 1.870 0.004 . 1 . . . . . . . . 6476 1 876 . 1 1 69 69 PRO HB3 H 1 1.971 0.007 . 2 . . . . . . . . 6476 1 877 . 1 1 69 69 PRO HB2 H 1 2.330 0.006 . 2 . . . . . . . . 6476 1 878 . 1 1 70 70 LYS C C 13 177.748 0.000 . 1 . . . . . . . . 6476 1 879 . 1 1 70 70 LYS CB C 13 32.292 0.043 . 1 . . . . . . . . 6476 1 880 . 1 1 70 70 LYS CA C 13 54.397 0.062 . 1 . . . . . . . . 6476 1 881 . 1 1 70 70 LYS CG C 13 24.972 0.031 . 1 . . . . . . . . 6476 1 882 . 1 1 70 70 LYS CD C 13 28.714 0.017 . 1 . . . . . . . . 6476 1 883 . 1 1 70 70 LYS CE C 13 42.060 0.009 . 1 . . . . . . . . 6476 1 884 . 1 1 70 70 LYS N N 15 119.043 0.006 . 1 . . . . . . . . 6476 1 885 . 1 1 70 70 LYS HA H 1 4.582 0.007 . 1 . . . . . . . . 6476 1 886 . 1 1 70 70 LYS HD3 H 1 1.674 0.001 . 1 . . . . . . . . 6476 1 887 . 1 1 70 70 LYS HD2 H 1 1.674 0.001 . 1 . . . . . . . . 6476 1 888 . 1 1 70 70 LYS HE2 H 1 2.949 0.003 . 1 . . . . . . . . 6476 1 889 . 1 1 70 70 LYS HE3 H 1 2.949 0.003 . 1 . . . . . . . . 6476 1 890 . 1 1 70 70 LYS HG2 H 1 1.446 0.005 . 2 . . . . . . . . 6476 1 891 . 1 1 70 70 LYS HG3 H 1 1.295 0.003 . 2 . . . . . . . . 6476 1 892 . 1 1 70 70 LYS H H 1 9.174 0.003 . 1 . . . . . . . . 6476 1 893 . 1 1 70 70 LYS HB3 H 1 2.096 0.004 . 2 . . . . . . . . 6476 1 894 . 1 1 70 70 LYS HB2 H 1 1.707 0.011 . 2 . . . . . . . . 6476 1 895 . 1 1 71 71 GLY H H 1 7.580 0.003 . 1 . . . . . . . . 6476 1 896 . 1 1 71 71 GLY HA2 H 1 4.503 0.004 . 2 . . . . . . . . 6476 1 897 . 1 1 71 71 GLY HA3 H 1 3.956 0.001 . 2 . . . . . . . . 6476 1 898 . 1 1 71 71 GLY CA C 13 44.855 0.033 . 1 . . . . . . . . 6476 1 899 . 1 1 71 71 GLY N N 15 107.086 0.007 . 1 . . . . . . . . 6476 1 900 . 1 1 72 72 PRO C C 13 178.984 0.000 . 1 . . . . . . . . 6476 1 901 . 1 1 72 72 PRO HA H 1 4.302 0.007 . 1 . . . . . . . . 6476 1 902 . 1 1 72 72 PRO HD3 H 1 3.741 0.006 . 2 . . . . . . . . 6476 1 903 . 1 1 72 72 PRO HD2 H 1 3.589 0.008 . 2 . . . . . . . . 6476 1 904 . 1 1 72 72 PRO CB C 13 32.019 0.058 . 1 . . . . . . . . 6476 1 905 . 1 1 72 72 PRO CA C 13 64.668 0.072 . 1 . . . . . . . . 6476 1 906 . 1 1 72 72 PRO CG C 13 27.152 0.023 . 1 . . . . . . . . 6476 1 907 . 1 1 72 72 PRO HG3 H 1 2.017 0.008 . 1 . . . . . . . . 6476 1 908 . 1 1 72 72 PRO CD C 13 49.834 0.058 . 1 . . . . . . . . 6476 1 909 . 1 1 72 72 PRO HG2 H 1 2.017 0.008 . 1 . . . . . . . . 6476 1 910 . 1 1 72 72 PRO HB3 H 1 1.985 0.001 . 2 . . . . . . . . 6476 1 911 . 1 1 72 72 PRO HB2 H 1 2.308 0.004 . 2 . . . . . . . . 6476 1 912 . 1 1 73 73 SER C C 13 175.950 0.000 . 1 . . . . . . . . 6476 1 913 . 1 1 73 73 SER H H 1 8.554 0.011 . 1 . . . . . . . . 6476 1 914 . 1 1 73 73 SER CA C 13 58.522 0.026 . 1 . . . . . . . . 6476 1 915 . 1 1 73 73 SER N N 15 112.963 0.018 . 1 . . . . . . . . 6476 1 916 . 1 1 73 73 SER CB C 13 63.394 0.038 . 1 . . . . . . . . 6476 1 917 . 1 1 73 73 SER HA H 1 4.611 0.010 . 1 . . . . . . . . 6476 1 918 . 1 1 73 73 SER HB3 H 1 3.971 0.010 . 1 . . . . . . . . 6476 1 919 . 1 1 73 73 SER HB2 H 1 3.956 0.017 . 1 . . . . . . . . 6476 1 920 . 1 1 74 74 GLY C C 13 174.751 0.000 . 1 . . . . . . . . 6476 1 921 . 1 1 74 74 GLY H H 1 7.659 0.003 . 1 . . . . . . . . 6476 1 922 . 1 1 74 74 GLY HA2 H 1 4.369 0.011 . 2 . . . . . . . . 6476 1 923 . 1 1 74 74 GLY HA3 H 1 3.662 0.013 . 2 . . . . . . . . 6476 1 924 . 1 1 74 74 GLY CA C 13 44.338 0.043 . 1 . . . . . . . . 6476 1 925 . 1 1 74 74 GLY N N 15 109.467 0.005 . 1 . . . . . . . . 6476 1 926 . 1 1 75 75 ILE C C 13 175.130 0.000 . 1 . . . . . . . . 6476 1 927 . 1 1 75 75 ILE CB C 13 39.533 0.064 . 1 . . . . . . . . 6476 1 928 . 1 1 75 75 ILE CA C 13 61.457 0.072 . 1 . . . . . . . . 6476 1 929 . 1 1 75 75 ILE N N 15 118.523 0.016 . 1 . . . . . . . . 6476 1 930 . 1 1 75 75 ILE CG1 C 13 27.619 0.047 . 1 . . . . . . . . 6476 1 931 . 1 1 75 75 ILE CD1 C 13 13.761 0.010 . 1 . . . . . . . . 6476 1 932 . 1 1 75 75 ILE HB H 1 1.716 0.007 . 1 . . . . . . . . 6476 1 933 . 1 1 75 75 ILE CG2 C 13 17.535 0.039 . 1 . . . . . . . . 6476 1 934 . 1 1 75 75 ILE HA H 1 3.898 0.006 . 1 . . . . . . . . 6476 1 935 . 1 1 75 75 ILE HG12 H 1 1.162 0.005 . 2 . . . . . . . . 6476 1 936 . 1 1 75 75 ILE HG13 H 1 1.278 0.006 . 2 . . . . . . . . 6476 1 937 . 1 1 75 75 ILE H H 1 8.083 0.001 . 1 . . . . . . . . 6476 1 938 . 1 1 75 75 ILE HG21 H 1 0.816 0.008 . 1 . . . . . . . . 6476 1 939 . 1 1 75 75 ILE HG22 H 1 0.816 0.008 . 1 . . . . . . . . 6476 1 940 . 1 1 75 75 ILE HG23 H 1 0.816 0.008 . 1 . . . . . . . . 6476 1 941 . 1 1 75 75 ILE HD11 H 1 0.774 0.006 . 1 . . . . . . . . 6476 1 942 . 1 1 75 75 ILE HD12 H 1 0.774 0.006 . 1 . . . . . . . . 6476 1 943 . 1 1 75 75 ILE HD13 H 1 0.774 0.006 . 1 . . . . . . . . 6476 1 944 . 1 1 76 76 ILE C C 13 175.446 0.000 . 1 . . . . . . . . 6476 1 945 . 1 1 76 76 ILE CB C 13 40.168 0.033 . 1 . . . . . . . . 6476 1 946 . 1 1 76 76 ILE CA C 13 59.952 0.043 . 1 . . . . . . . . 6476 1 947 . 1 1 76 76 ILE N N 15 123.124 0.033 . 1 . . . . . . . . 6476 1 948 . 1 1 76 76 ILE CG1 C 13 28.387 0.023 . 1 . . . . . . . . 6476 1 949 . 1 1 76 76 ILE CD1 C 13 14.217 0.025 . 1 . . . . . . . . 6476 1 950 . 1 1 76 76 ILE HB H 1 1.765 0.012 . 1 . . . . . . . . 6476 1 951 . 1 1 76 76 ILE CG2 C 13 19.108 0.038 . 1 . . . . . . . . 6476 1 952 . 1 1 76 76 ILE HA H 1 4.704 0.007 . 1 . . . . . . . . 6476 1 953 . 1 1 76 76 ILE HG12 H 1 0.903 0.007 . 2 . . . . . . . . 6476 1 954 . 1 1 76 76 ILE HG13 H 1 1.760 0.008 . 2 . . . . . . . . 6476 1 955 . 1 1 76 76 ILE H H 1 8.544 0.002 . 1 . . . . . . . . 6476 1 956 . 1 1 76 76 ILE HG21 H 1 0.807 0.007 . 1 . . . . . . . . 6476 1 957 . 1 1 76 76 ILE HG22 H 1 0.807 0.007 . 1 . . . . . . . . 6476 1 958 . 1 1 76 76 ILE HG23 H 1 0.807 0.007 . 1 . . . . . . . . 6476 1 959 . 1 1 76 76 ILE HD11 H 1 0.770 0.006 . 1 . . . . . . . . 6476 1 960 . 1 1 76 76 ILE HD12 H 1 0.770 0.006 . 1 . . . . . . . . 6476 1 961 . 1 1 76 76 ILE HD13 H 1 0.770 0.006 . 1 . . . . . . . . 6476 1 962 . 1 1 77 77 LYS C C 13 176.722 0.000 . 1 . . . . . . . . 6476 1 963 . 1 1 77 77 LYS CB C 13 36.647 0.033 . 1 . . . . . . . . 6476 1 964 . 1 1 77 77 LYS CA C 13 54.157 0.032 . 1 . . . . . . . . 6476 1 965 . 1 1 77 77 LYS CG C 13 25.209 0.008 . 1 . . . . . . . . 6476 1 966 . 1 1 77 77 LYS CD C 13 29.712 0.013 . 1 . . . . . . . . 6476 1 967 . 1 1 77 77 LYS CE C 13 41.770 0.000 . 1 . . . . . . . . 6476 1 968 . 1 1 77 77 LYS N N 15 121.389 0.004 . 1 . . . . . . . . 6476 1 969 . 1 1 77 77 LYS HA H 1 4.699 0.007 . 1 . . . . . . . . 6476 1 970 . 1 1 77 77 LYS HD3 H 1 1.558 0.003 . 1 . . . . . . . . 6476 1 971 . 1 1 77 77 LYS HD2 H 1 1.558 0.003 . 1 . . . . . . . . 6476 1 972 . 1 1 77 77 LYS HE2 H 1 2.866 0.002 . 1 . . . . . . . . 6476 1 973 . 1 1 77 77 LYS HE3 H 1 2.866 0.002 . 1 . . . . . . . . 6476 1 974 . 1 1 77 77 LYS HG2 H 1 1.207 0.004 . 2 . . . . . . . . 6476 1 975 . 1 1 77 77 LYS HG3 H 1 1.327 0.002 . 2 . . . . . . . . 6476 1 976 . 1 1 77 77 LYS H H 1 8.683 0.004 . 1 . . . . . . . . 6476 1 977 . 1 1 77 77 LYS HB3 H 1 1.738 0.007 . 2 . . . . . . . . 6476 1 978 . 1 1 77 77 LYS HB2 H 1 1.444 0.007 . 2 . . . . . . . . 6476 1 979 . 1 1 78 78 LEU C C 13 177.763 0.000 . 1 . . . . . . . . 6476 1 980 . 1 1 78 78 LEU CB C 13 43.217 0.081 . 1 . . . . . . . . 6476 1 981 . 1 1 78 78 LEU CA C 13 55.333 0.027 . 1 . . . . . . . . 6476 1 982 . 1 1 78 78 LEU CG C 13 27.142 0.002 . 1 . . . . . . . . 6476 1 983 . 1 1 78 78 LEU N N 15 121.290 0.006 . 1 . . . . . . . . 6476 1 984 . 1 1 78 78 LEU CD1 C 13 24.939 0.060 . 1 . . . . . . . . 6476 1 985 . 1 1 78 78 LEU CD2 C 13 24.939 0.060 . 1 . . . . . . . . 6476 1 986 . 1 1 78 78 LEU HA H 1 4.341 0.005 . 1 . . . . . . . . 6476 1 987 . 1 1 78 78 LEU HG H 1 1.489 0.004 . 1 . . . . . . . . 6476 1 988 . 1 1 78 78 LEU H H 1 8.750 0.005 . 1 . . . . . . . . 6476 1 989 . 1 1 78 78 LEU HB3 H 1 1.495 0.006 . 2 . . . . . . . . 6476 1 990 . 1 1 78 78 LEU HB2 H 1 1.604 0.009 . 2 . . . . . . . . 6476 1 991 . 1 1 78 78 LEU HD21 H 1 0.927 0.008 . 1 . . . . . . . . 6476 1 992 . 1 1 78 78 LEU HD22 H 1 0.927 0.008 . 1 . . . . . . . . 6476 1 993 . 1 1 78 78 LEU HD23 H 1 0.927 0.008 . 1 . . . . . . . . 6476 1 994 . 1 1 78 78 LEU HD11 H 1 0.927 0.008 . 1 . . . . . . . . 6476 1 995 . 1 1 78 78 LEU HD12 H 1 0.927 0.008 . 1 . . . . . . . . 6476 1 996 . 1 1 78 78 LEU HD13 H 1 0.927 0.008 . 1 . . . . . . . . 6476 1 997 . 1 1 79 79 ASN C C 13 176.043 0.000 . 1 . . . . . . . . 6476 1 998 . 1 1 79 79 ASN ND2 N 15 111.774 0.004 . 1 . . . . . . . . 6476 1 999 . 1 1 79 79 ASN HD22 H 1 7.921 0.001 . 2 . . . . . . . . 6476 1 1000 . 1 1 79 79 ASN HD21 H 1 6.996 0.000 . 2 . . . . . . . . 6476 1 1001 . 1 1 79 79 ASN H H 1 7.842 0.006 . 1 . . . . . . . . 6476 1 1002 . 1 1 79 79 ASN CA C 13 51.956 0.048 . 1 . . . . . . . . 6476 1 1003 . 1 1 79 79 ASN CG C 13 177.552 0.000 . 1 . . . . . . . . 6476 1 1004 . 1 1 79 79 ASN N N 15 120.917 0.011 . 1 . . . . . . . . 6476 1 1005 . 1 1 79 79 ASN CB C 13 38.502 0.054 . 1 . . . . . . . . 6476 1 1006 . 1 1 79 79 ASN HA H 1 4.667 0.007 . 1 . . . . . . . . 6476 1 1007 . 1 1 79 79 ASN HB3 H 1 3.057 0.008 . 2 . . . . . . . . 6476 1 1008 . 1 1 79 79 ASN HB2 H 1 2.189 0.008 . 2 . . . . . . . . 6476 1 1009 . 1 1 80 80 LYS C C 13 177.562 0.000 . 1 . . . . . . . . 6476 1 1010 . 1 1 80 80 LYS CB C 13 32.686 0.005 . 1 . . . . . . . . 6476 1 1011 . 1 1 80 80 LYS CA C 13 56.755 0.003 . 1 . . . . . . . . 6476 1 1012 . 1 1 80 80 LYS CG C 13 24.904 0.005 . 1 . . . . . . . . 6476 1 1013 . 1 1 80 80 LYS CD C 13 29.166 0.019 . 1 . . . . . . . . 6476 1 1014 . 1 1 80 80 LYS CE C 13 41.918 0.000 . 1 . . . . . . . . 6476 1 1015 . 1 1 80 80 LYS N N 15 124.522 0.008 . 1 . . . . . . . . 6476 1 1016 . 1 1 80 80 LYS HA H 1 4.238 0.001 . 1 . . . . . . . . 6476 1 1017 . 1 1 80 80 LYS HD3 H 1 1.686 0.001 . 1 . . . . . . . . 6476 1 1018 . 1 1 80 80 LYS HD2 H 1 1.686 0.001 . 1 . . . . . . . . 6476 1 1019 . 1 1 80 80 LYS HE2 H 1 2.982 0.001 . 1 . . . . . . . . 6476 1 1020 . 1 1 80 80 LYS HE3 H 1 2.982 0.001 . 1 . . . . . . . . 6476 1 1021 . 1 1 80 80 LYS HG2 H 1 1.413 0.001 . 1 . . . . . . . . 6476 1 1022 . 1 1 80 80 LYS HG3 H 1 1.413 0.001 . 1 . . . . . . . . 6476 1 1023 . 1 1 80 80 LYS H H 1 8.379 0.004 . 1 . . . . . . . . 6476 1 1024 . 1 1 80 80 LYS HB3 H 1 1.798 0.001 . 1 . . . . . . . . 6476 1 1025 . 1 1 80 80 LYS HB2 H 1 1.743 0.002 . 1 . . . . . . . . 6476 1 1026 . 1 1 81 81 LYS C C 13 177.575 0.000 . 1 . . . . . . . . 6476 1 1027 . 1 1 81 81 LYS CB C 13 32.758 0.048 . 1 . . . . . . . . 6476 1 1028 . 1 1 81 81 LYS CA C 13 56.348 0.001 . 1 . . . . . . . . 6476 1 1029 . 1 1 81 81 LYS CG C 13 24.907 0.001 . 1 . . . . . . . . 6476 1 1030 . 1 1 81 81 LYS CD C 13 29.076 0.045 . 1 . . . . . . . . 6476 1 1031 . 1 1 81 81 LYS CE C 13 41.915 0.003 . 1 . . . . . . . . 6476 1 1032 . 1 1 81 81 LYS N N 15 120.737 0.031 . 1 . . . . . . . . 6476 1 1033 . 1 1 81 81 LYS HA H 1 4.292 0.023 . 1 . . . . . . . . 6476 1 1034 . 1 1 81 81 LYS HD3 H 1 1.682 0.001 . 1 . . . . . . . . 6476 1 1035 . 1 1 81 81 LYS HD2 H 1 1.682 0.001 . 1 . . . . . . . . 6476 1 1036 . 1 1 81 81 LYS HE2 H 1 2.978 0.001 . 1 . . . . . . . . 6476 1 1037 . 1 1 81 81 LYS HE3 H 1 2.978 0.001 . 1 . . . . . . . . 6476 1 1038 . 1 1 81 81 LYS HG2 H 1 1.388 0.001 . 1 . . . . . . . . 6476 1 1039 . 1 1 81 81 LYS HG3 H 1 1.388 0.001 . 1 . . . . . . . . 6476 1 1040 . 1 1 81 81 LYS H H 1 8.167 0.003 . 1 . . . . . . . . 6476 1 1041 . 1 1 81 81 LYS HB3 H 1 1.804 0.027 . 1 . . . . . . . . 6476 1 1042 . 1 1 81 81 LYS HB2 H 1 1.722 0.001 . 1 . . . . . . . . 6476 1 1043 . 1 1 82 82 LYS C C 13 177.406 0.000 . 1 . . . . . . . . 6476 1 1044 . 1 1 82 82 LYS CB C 13 33.062 0.030 . 1 . . . . . . . . 6476 1 1045 . 1 1 82 82 LYS CA C 13 56.016 0.010 . 1 . . . . . . . . 6476 1 1046 . 1 1 82 82 LYS CG C 13 24.822 0.000 . 1 . . . . . . . . 6476 1 1047 . 1 1 82 82 LYS CD C 13 29.035 0.002 . 1 . . . . . . . . 6476 1 1048 . 1 1 82 82 LYS CE C 13 41.945 0.001 . 1 . . . . . . . . 6476 1 1049 . 1 1 82 82 LYS N N 15 121.507 0.018 . 1 . . . . . . . . 6476 1 1050 . 1 1 82 82 LYS HA H 1 4.298 0.001 . 1 . . . . . . . . 6476 1 1051 . 1 1 82 82 LYS HD3 H 1 1.681 0.000 . 1 . . . . . . . . 6476 1 1052 . 1 1 82 82 LYS HD2 H 1 1.681 0.000 . 1 . . . . . . . . 6476 1 1053 . 1 1 82 82 LYS HE2 H 1 2.976 0.001 . 1 . . . . . . . . 6476 1 1054 . 1 1 82 82 LYS HE3 H 1 2.976 0.001 . 1 . . . . . . . . 6476 1 1055 . 1 1 82 82 LYS HG2 H 1 1.388 0.001 . 1 . . . . . . . . 6476 1 1056 . 1 1 82 82 LYS HG3 H 1 1.388 0.001 . 1 . . . . . . . . 6476 1 1057 . 1 1 82 82 LYS H H 1 8.084 0.003 . 1 . . . . . . . . 6476 1 1058 . 1 1 82 82 LYS HB3 H 1 1.814 0.001 . 2 . . . . . . . . 6476 1 1059 . 1 1 82 82 LYS HB2 H 1 1.722 0.001 . 2 . . . . . . . . 6476 1 1060 . 1 1 83 83 VAL C C 13 176.650 0.000 . 1 . . . . . . . . 6476 1 1061 . 1 1 83 83 VAL HA H 1 4.054 0.007 . 1 . . . . . . . . 6476 1 1062 . 1 1 83 83 VAL CB C 13 32.765 0.042 . 1 . . . . . . . . 6476 1 1063 . 1 1 83 83 VAL CA C 13 62.079 0.022 . 1 . . . . . . . . 6476 1 1064 . 1 1 83 83 VAL HB H 1 2.005 0.006 . 1 . . . . . . . . 6476 1 1065 . 1 1 83 83 VAL N N 15 121.678 0.031 . 1 . . . . . . . . 6476 1 1066 . 1 1 83 83 VAL H H 1 8.097 0.004 . 1 . . . . . . . . 6476 1 1067 . 1 1 83 83 VAL CG1 C 13 20.904 0.002 . 1 . . . . . . . . 6476 1 1068 . 1 1 83 83 VAL CG2 C 13 20.904 0.002 . 1 . . . . . . . . 6476 1 1069 . 1 1 83 83 VAL HG21 H 1 0.917 0.006 . 1 . . . . . . . . 6476 1 1070 . 1 1 83 83 VAL HG22 H 1 0.917 0.006 . 1 . . . . . . . . 6476 1 1071 . 1 1 83 83 VAL HG23 H 1 0.917 0.006 . 1 . . . . . . . . 6476 1 1072 . 1 1 83 83 VAL HG11 H 1 0.903 0.015 . 1 . . . . . . . . 6476 1 1073 . 1 1 83 83 VAL HG12 H 1 0.903 0.015 . 1 . . . . . . . . 6476 1 1074 . 1 1 83 83 VAL HG13 H 1 0.903 0.015 . 1 . . . . . . . . 6476 1 1075 . 1 1 84 84 LYS C C 13 177.226 0.000 . 1 . . . . . . . . 6476 1 1076 . 1 1 84 84 LYS CB C 13 32.906 0.011 . 1 . . . . . . . . 6476 1 1077 . 1 1 84 84 LYS CA C 13 55.882 0.012 . 1 . . . . . . . . 6476 1 1078 . 1 1 84 84 LYS CG C 13 24.577 0.005 . 1 . . . . . . . . 6476 1 1079 . 1 1 84 84 LYS CD C 13 29.125 0.048 . 1 . . . . . . . . 6476 1 1080 . 1 1 84 84 LYS CE C 13 41.944 0.000 . 1 . . . . . . . . 6476 1 1081 . 1 1 84 84 LYS N N 15 108.377 0.005 . 1 . . . . . . . . 6476 1 1082 . 1 1 84 84 LYS HA H 1 4.327 0.002 . 1 . . . . . . . . 6476 1 1083 . 1 1 84 84 LYS HD3 H 1 1.680 0.002 . 1 . . . . . . . . 6476 1 1084 . 1 1 84 84 LYS HD2 H 1 1.680 0.002 . 1 . . . . . . . . 6476 1 1085 . 1 1 84 84 LYS HE2 H 1 2.961 0.001 . 1 . . . . . . . . 6476 1 1086 . 1 1 84 84 LYS HE3 H 1 2.961 0.001 . 1 . . . . . . . . 6476 1 1087 . 1 1 84 84 LYS HG2 H 1 1.389 0.001 . 1 . . . . . . . . 6476 1 1088 . 1 1 84 84 LYS HG3 H 1 1.389 0.001 . 1 . . . . . . . . 6476 1 1089 . 1 1 84 84 LYS H H 1 8.470 0.002 . 1 . . . . . . . . 6476 1 1090 . 1 1 84 84 LYS HB3 H 1 1.814 0.000 . 2 . . . . . . . . 6476 1 1091 . 1 1 84 84 LYS HB2 H 1 1.722 0.002 . 2 . . . . . . . . 6476 1 1092 . 1 1 85 85 LEU C C 13 178.303 0.000 . 1 . . . . . . . . 6476 1 1093 . 1 1 85 85 LEU CB C 13 42.449 0.051 . 1 . . . . . . . . 6476 1 1094 . 1 1 85 85 LEU CA C 13 54.854 0.068 . 1 . . . . . . . . 6476 1 1095 . 1 1 85 85 LEU CG C 13 26.879 0.009 . 1 . . . . . . . . 6476 1 1096 . 1 1 85 85 LEU N N 15 124.561 0.004 . 1 . . . . . . . . 6476 1 1097 . 1 1 85 85 LEU CD1 C 13 23.268 0.017 . 1 . . . . . . . . 6476 1 1098 . 1 1 85 85 LEU CD2 C 13 24.903 0.025 . 1 . . . . . . . . 6476 1 1099 . 1 1 85 85 LEU HA H 1 4.397 0.008 . 1 . . . . . . . . 6476 1 1100 . 1 1 85 85 LEU HG H 1 1.619 0.009 . 1 . . . . . . . . 6476 1 1101 . 1 1 85 85 LEU H H 1 8.471 0.005 . 1 . . . . . . . . 6476 1 1102 . 1 1 85 85 LEU HB3 H 1 1.615 0.011 . 1 . . . . . . . . 6476 1 1103 . 1 1 85 85 LEU HB2 H 1 1.615 0.011 . 1 . . . . . . . . 6476 1 1104 . 1 1 85 85 LEU HD21 H 1 0.905 0.010 . 1 . . . . . . . . 6476 1 1105 . 1 1 85 85 LEU HD22 H 1 0.905 0.010 . 1 . . . . . . . . 6476 1 1106 . 1 1 85 85 LEU HD23 H 1 0.905 0.010 . 1 . . . . . . . . 6476 1 1107 . 1 1 85 85 LEU HD11 H 1 0.840 0.002 . 1 . . . . . . . . 6476 1 1108 . 1 1 85 85 LEU HD12 H 1 0.840 0.002 . 1 . . . . . . . . 6476 1 1109 . 1 1 85 85 LEU HD13 H 1 0.840 0.002 . 1 . . . . . . . . 6476 1 1110 . 1 1 86 86 SER C C 13 174.893 0.000 . 1 . . . . . . . . 6476 1 1111 . 1 1 86 86 SER H H 1 8.414 0.005 . 1 . . . . . . . . 6476 1 1112 . 1 1 86 86 SER CA C 13 58.049 0.020 . 1 . . . . . . . . 6476 1 1113 . 1 1 86 86 SER N N 15 116.989 0.010 . 1 . . . . . . . . 6476 1 1114 . 1 1 86 86 SER CB C 13 63.776 0.005 . 1 . . . . . . . . 6476 1 1115 . 1 1 86 86 SER HA H 1 4.532 0.002 . 1 . . . . . . . . 6476 1 1116 . 1 1 86 86 SER HB3 H 1 3.878 0.000 . 1 . . . . . . . . 6476 1 1117 . 1 1 86 86 SER HB2 H 1 3.878 0.000 . 1 . . . . . . . . 6476 1 1118 . 1 1 87 87 THR HA H 1 4.133 0.010 . 1 . . . . . . . . 6476 1 1119 . 1 1 87 87 THR H H 1 7.880 0.004 . 1 . . . . . . . . 6476 1 1120 . 1 1 87 87 THR CA C 13 63.022 0.075 . 1 . . . . . . . . 6476 1 1121 . 1 1 87 87 THR N N 15 120.367 0.007 . 1 . . . . . . . . 6476 1 1122 . 1 1 87 87 THR CB C 13 70.521 0.042 . 1 . . . . . . . . 6476 1 1123 . 1 1 87 87 THR HB H 1 4.239 0.010 . 1 . . . . . . . . 6476 1 1124 . 1 1 87 87 THR CG2 C 13 21.933 0.029 . 1 . . . . . . . . 6476 1 1125 . 1 1 87 87 THR HG21 H 1 1.145 0.008 . 1 . . . . . . . . 6476 1 1126 . 1 1 87 87 THR HG22 H 1 1.145 0.008 . 1 . . . . . . . . 6476 1 1127 . 1 1 87 87 THR HG23 H 1 1.145 0.008 . 1 . . . . . . . . 6476 1 stop_ save_