data_27243 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27243 _Entry.Title ; RPT1 region of INI1/SNF5/SMARCB1_HUMAN - SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-09-01 _Entry.Accession_date 2017-09-01 _Entry.Last_release_date 2017-09-01 _Entry.Original_release_date 2017-09-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; RPT1 region of INI1/SNF5/SMARCB1_HUMAN - SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1. ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Mark Girvin . E. . . 27243 2 Sean Cahill . M. . . 27243 3 RIchard Harris . . . . 27243 4 David Cowburn . . . . 27243 5 Menachem Spira . . . . 27243 6 Xuhong Wu . . . . 27243 7 Rajesh Prakash . . . . 27243 8 Michael Brenowitz . . . . 27243 9 Steven Almo . C. . . 27243 10 Ganjam Kalpana . V. . . 27243 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Albert Einstein College of Medicine' . 27243 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27243 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 387 27243 '15N chemical shifts' 86 27243 '1H chemical shifts' 627 27243 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-10-03 . original BMRB . 27243 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 27243 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; RPT1 region of INI1/SNF5/SMARCB1_HUMAN - SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily B member 1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mark Girvin . E. . . 27243 1 2 Sean Cahill . M. . . 27243 1 3 RIchard Harris . . . . 27243 1 4 David Cowburn . . . . 27243 1 5 Menachem Spira . . . . 27243 1 6 Xuhong Wu . . . . 27243 1 7 Rajesh Prakash . . . . 27243 1 8 Michael Brenowitz . . . . 27243 1 9 Steven Almo . C. . . 27243 1 10 Ganjam Kalpana . V. . . 27243 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'BRMB only' 27243 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27243 _Assembly.ID 1 _Assembly.Name Rpt1/ini1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Rpt1/ini1 1 $Rpt1-ini1 A . yes native no no . . . 27243 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rpt1-ini1 _Entity.Sf_category entity _Entity.Sf_framecode Rpt1-ini1 _Entity.Entry_ID 27243 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rpt1-ini1 _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 ; PEVLVPIRLDMEIDGQKLRD AFTWNMNEKLMTPEMFSEIL CDDLDLNPLTFVPAIASAIR QQIESYPTDSILEDQSDQRV IIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment Rpt1 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes Uniprot Q12824 . . . . . . . . . . . . . . . . 27243 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 1 183 PRO . 27243 1 2 184 GLU . 27243 1 3 185 VAL . 27243 1 4 186 LEU . 27243 1 5 187 VAL . 27243 1 6 188 PRO . 27243 1 7 189 ILE . 27243 1 8 190 ARG . 27243 1 9 191 LEU . 27243 1 10 192 ASP . 27243 1 11 193 MET . 27243 1 12 194 GLU . 27243 1 13 195 ILE . 27243 1 14 196 ASP . 27243 1 15 197 GLY . 27243 1 16 198 GLN . 27243 1 17 199 LYS . 27243 1 18 200 LEU . 27243 1 19 201 ARG . 27243 1 20 202 ASP . 27243 1 21 203 ALA . 27243 1 22 204 PHE . 27243 1 23 205 THR . 27243 1 24 206 TRP . 27243 1 25 207 ASN . 27243 1 26 208 MET . 27243 1 27 209 ASN . 27243 1 28 210 GLU . 27243 1 29 211 LYS . 27243 1 30 212 LEU . 27243 1 31 213 MET . 27243 1 32 214 THR . 27243 1 33 215 PRO . 27243 1 34 216 GLU . 27243 1 35 217 MET . 27243 1 36 218 PHE . 27243 1 37 219 SER . 27243 1 38 220 GLU . 27243 1 39 221 ILE . 27243 1 40 222 LEU . 27243 1 41 223 CYS . 27243 1 42 224 ASP . 27243 1 43 225 ASP . 27243 1 44 226 LEU . 27243 1 45 227 ASP . 27243 1 46 228 LEU . 27243 1 47 229 ASN . 27243 1 48 230 PRO . 27243 1 49 231 LEU . 27243 1 50 232 THR . 27243 1 51 233 PHE . 27243 1 52 234 VAL . 27243 1 53 235 PRO . 27243 1 54 236 ALA . 27243 1 55 237 ILE . 27243 1 56 238 ALA . 27243 1 57 239 SER . 27243 1 58 240 ALA . 27243 1 59 241 ILE . 27243 1 60 242 ARG . 27243 1 61 243 GLN . 27243 1 62 244 GLN . 27243 1 63 245 ILE . 27243 1 64 246 GLU . 27243 1 65 247 SER . 27243 1 66 248 TYR . 27243 1 67 249 PRO . 27243 1 68 250 THR . 27243 1 69 251 ASP . 27243 1 70 252 SER . 27243 1 71 253 ILE . 27243 1 72 254 LEU . 27243 1 73 255 GLU . 27243 1 74 256 ASP . 27243 1 75 257 GLN . 27243 1 76 258 SER . 27243 1 77 259 ASP . 27243 1 78 260 GLN . 27243 1 79 261 ARG . 27243 1 80 262 VAL . 27243 1 81 263 ILE . 27243 1 82 264 ILE . 27243 1 83 265 LYS . 27243 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 . PRO 1 1 27243 1 . GLU 2 2 27243 1 . VAL 3 3 27243 1 . LEU 4 4 27243 1 . VAL 5 5 27243 1 . PRO 6 6 27243 1 . ILE 7 7 27243 1 . ARG 8 8 27243 1 . LEU 9 9 27243 1 . ASP 10 10 27243 1 . MET 11 11 27243 1 . GLU 12 12 27243 1 . ILE 13 13 27243 1 . ASP 14 14 27243 1 . GLY 15 15 27243 1 . GLN 16 16 27243 1 . LYS 17 17 27243 1 . LEU 18 18 27243 1 . ARG 19 19 27243 1 . ASP 20 20 27243 1 . ALA 21 21 27243 1 . PHE 22 22 27243 1 . THR 23 23 27243 1 . TRP 24 24 27243 1 . ASN 25 25 27243 1 . MET 26 26 27243 1 . ASN 27 27 27243 1 . GLU 28 28 27243 1 . LYS 29 29 27243 1 . LEU 30 30 27243 1 . MET 31 31 27243 1 . THR 32 32 27243 1 . PRO 33 33 27243 1 . GLU 34 34 27243 1 . MET 35 35 27243 1 . PHE 36 36 27243 1 . SER 37 37 27243 1 . GLU 38 38 27243 1 . ILE 39 39 27243 1 . LEU 40 40 27243 1 . CYS 41 41 27243 1 . ASP 42 42 27243 1 . ASP 43 43 27243 1 . LEU 44 44 27243 1 . ASP 45 45 27243 1 . LEU 46 46 27243 1 . ASN 47 47 27243 1 . PRO 48 48 27243 1 . LEU 49 49 27243 1 . THR 50 50 27243 1 . PHE 51 51 27243 1 . VAL 52 52 27243 1 . PRO 53 53 27243 1 . ALA 54 54 27243 1 . ILE 55 55 27243 1 . ALA 56 56 27243 1 . SER 57 57 27243 1 . ALA 58 58 27243 1 . ILE 59 59 27243 1 . ARG 60 60 27243 1 . GLN 61 61 27243 1 . GLN 62 62 27243 1 . ILE 63 63 27243 1 . GLU 64 64 27243 1 . SER 65 65 27243 1 . TYR 66 66 27243 1 . PRO 67 67 27243 1 . THR 68 68 27243 1 . ASP 69 69 27243 1 . SER 70 70 27243 1 . ILE 71 71 27243 1 . LEU 72 72 27243 1 . GLU 73 73 27243 1 . ASP 74 74 27243 1 . GLN 75 75 27243 1 . SER 76 76 27243 1 . ASP 77 77 27243 1 . GLN 78 78 27243 1 . ARG 79 79 27243 1 . VAL 80 80 27243 1 . ILE 81 81 27243 1 . ILE 82 82 27243 1 . LYS 83 83 27243 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 27243 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Rpt1-ini1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27243 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 27243 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Rpt1-ini1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . sumo . . . 27243 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27243 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Rpt1/ini1 '[U-95% 13C; U-95% 15N]' . . 1 $Rpt1-ini1 . . 250 100 400 uM . . . . 27243 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27243 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27243 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27243 1 5 TCEP 'natural abundance' . . . . . . 5 . . mM . . . . 27243 1 6 TSP 'natural abundance' . . . . . . 0.01 . . mM 0.01 . . . 27243 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27243 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.16 . M 27243 1 pH 6.8 . pH 27243 1 pressure 1 . atm 27243 1 temperature 298 . K 27243 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 27243 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details 'Using CCPN' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 27243 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27243 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27243 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27243 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27243 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent INOVA . 600 . . . 27243 1 2 spectrometer_2 Bruker Avance . 900 . . . 27243 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 27243 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27243 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27243 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27243 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27243 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27243 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27243 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27243 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27243 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27243 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27243 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27243 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27243 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27243 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27243 1 15 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27243 1 16 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27243 1 17 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27243 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27243 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP protons . . . . ppm 0 internal indirect 0.25144953 . . . . . 27243 1 H 1 TSP protons . . . . ppm 0 internal direct 1.0 . . . . . 27243 1 N 15 TSP protons . . . . ppm 0 internal indirect 0.101329118 . . . . . 27243 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27243 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27243 1 2 '2D 1H-13C HSQC aliphatic' . . . 27243 1 3 '2D 1H-13C HSQC aromatic' . . . 27243 1 4 '3D HNCO' . . . 27243 1 5 '3D CBCA(CO)NH' . . . 27243 1 6 '3D HNCA' . . . 27243 1 7 '3D HNCACB' . . . 27243 1 8 '3D HNHA' . . . 27243 1 17 '3D HCCH-COSY' . . . 27243 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $ARIA . . 27243 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 PRO HA H 1 4.509 0.002 . 1 . . . . 183 PRO HA . 27243 1 2 . 1 1 1 1 PRO HB2 H 1 2.330 0.004 . 2 . . . . 183 PRO HB2 . 27243 1 3 . 1 1 1 1 PRO HB3 H 1 1.907 0.008 . 2 . . . . 183 PRO HB3 . 27243 1 4 . 1 1 1 1 PRO HG2 H 1 2.029 0.001 . 1 . . . . 183 PRO HG2 . 27243 1 5 . 1 1 1 1 PRO HG3 H 1 2.029 0.001 . 1 . . . . 183 PRO HG3 . 27243 1 6 . 1 1 1 1 PRO HD2 H 1 3.676 0.000 . 2 . . . . 183 PRO HD2 . 27243 1 7 . 1 1 1 1 PRO HD3 H 1 3.776 0.003 . 2 . . . . 183 PRO HD3 . 27243 1 8 . 1 1 1 1 PRO C C 13 176.313 0.011 . 1 . . . . 183 PRO C . 27243 1 9 . 1 1 1 1 PRO CA C 13 63.327 0.032 . 1 . . . . 183 PRO CA . 27243 1 10 . 1 1 1 1 PRO CB C 13 32.108 0.022 . 1 . . . . 183 PRO CB . 27243 1 11 . 1 1 1 1 PRO CG C 13 27.455 0.022 . 1 . . . . 183 PRO CG . 27243 1 12 . 1 1 1 1 PRO CD C 13 50.671 0.023 . 1 . . . . 183 PRO CD . 27243 1 13 . 1 1 2 2 GLU H H 1 8.538 0.002 . 1 . . . . 184 GLU H . 27243 1 14 . 1 1 2 2 GLU HA H 1 4.276 0.003 . 1 . . . . 184 GLU HA . 27243 1 15 . 1 1 2 2 GLU HB2 H 1 1.935 0.013 . 2 . . . . 184 GLU HB2 . 27243 1 16 . 1 1 2 2 GLU HB3 H 1 1.881 0.003 . 2 . . . . 184 GLU HB3 . 27243 1 17 . 1 1 2 2 GLU HG2 H 1 2.174 0.006 . 2 . . . . 184 GLU HG2 . 27243 1 18 . 1 1 2 2 GLU HG3 H 1 2.263 0.004 . 2 . . . . 184 GLU HG3 . 27243 1 19 . 1 1 2 2 GLU C C 13 175.835 0.026 . 1 . . . . 184 GLU C . 27243 1 20 . 1 1 2 2 GLU CA C 13 56.562 0.074 . 1 . . . . 184 GLU CA . 27243 1 21 . 1 1 2 2 GLU CB C 13 30.410 0.028 . 1 . . . . 184 GLU CB . 27243 1 22 . 1 1 2 2 GLU CG C 13 36.487 0.046 . 1 . . . . 184 GLU CG . 27243 1 23 . 1 1 2 2 GLU N N 15 121.793 0.028 . 1 . . . . 184 GLU N . 27243 1 24 . 1 1 3 3 VAL H H 1 8.089 0.003 . 1 . . . . 185 VAL H . 27243 1 25 . 1 1 3 3 VAL HA H 1 4.116 0.003 . 1 . . . . 185 VAL HA . 27243 1 26 . 1 1 3 3 VAL HB H 1 1.943 0.006 . 1 . . . . 185 VAL HB . 27243 1 27 . 1 1 3 3 VAL HG11 H 1 0.908 0.005 . 2 . . . . 185 VAL HG11 . 27243 1 28 . 1 1 3 3 VAL HG12 H 1 0.908 0.005 . 2 . . . . 185 VAL HG12 . 27243 1 29 . 1 1 3 3 VAL HG13 H 1 0.908 0.005 . 2 . . . . 185 VAL HG13 . 27243 1 30 . 1 1 3 3 VAL HG21 H 1 0.937 0.006 . 2 . . . . 185 VAL HG21 . 27243 1 31 . 1 1 3 3 VAL HG22 H 1 0.937 0.006 . 2 . . . . 185 VAL HG22 . 27243 1 32 . 1 1 3 3 VAL HG23 H 1 0.937 0.006 . 2 . . . . 185 VAL HG23 . 27243 1 33 . 1 1 3 3 VAL C C 13 173.785 0.003 . 1 . . . . 185 VAL C . 27243 1 34 . 1 1 3 3 VAL CA C 13 62.516 0.015 . 1 . . . . 185 VAL CA . 27243 1 35 . 1 1 3 3 VAL CB C 13 33.282 0.015 . 1 . . . . 185 VAL CB . 27243 1 36 . 1 1 3 3 VAL CG1 C 13 21.468 0.075 . 2 . . . . 185 VAL CG1 . 27243 1 37 . 1 1 3 3 VAL CG2 C 13 20.698 0.029 . 2 . . . . 185 VAL CG2 . 27243 1 38 . 1 1 3 3 VAL N N 15 124.702 0.030 . 1 . . . . 185 VAL N . 27243 1 39 . 1 1 4 4 LEU H H 1 8.260 0.006 . 1 . . . . 186 LEU H . 27243 1 40 . 1 1 4 4 LEU HA H 1 4.956 0.007 . 1 . . . . 186 LEU HA . 27243 1 41 . 1 1 4 4 LEU HB2 H 1 1.053 0.005 . 2 . . . . 186 LEU HB2 . 27243 1 42 . 1 1 4 4 LEU HB3 H 1 1.781 0.003 . 2 . . . . 186 LEU HB3 . 27243 1 43 . 1 1 4 4 LEU HG H 1 1.535 0.003 . 1 . . . . 186 LEU HG . 27243 1 44 . 1 1 4 4 LEU HD11 H 1 0.693 0.003 . 2 . . . . 186 LEU HD11 . 27243 1 45 . 1 1 4 4 LEU HD12 H 1 0.693 0.003 . 2 . . . . 186 LEU HD12 . 27243 1 46 . 1 1 4 4 LEU HD13 H 1 0.693 0.003 . 2 . . . . 186 LEU HD13 . 27243 1 47 . 1 1 4 4 LEU HD21 H 1 0.857 0.006 . 2 . . . . 186 LEU HD21 . 27243 1 48 . 1 1 4 4 LEU HD22 H 1 0.857 0.006 . 2 . . . . 186 LEU HD22 . 27243 1 49 . 1 1 4 4 LEU HD23 H 1 0.857 0.006 . 2 . . . . 186 LEU HD23 . 27243 1 50 . 1 1 4 4 LEU C C 13 176.581 0.012 . 1 . . . . 186 LEU C . 27243 1 51 . 1 1 4 4 LEU CA C 13 53.353 0.035 . 1 . . . . 186 LEU CA . 27243 1 52 . 1 1 4 4 LEU CB C 13 42.397 0.019 . 1 . . . . 186 LEU CB . 27243 1 53 . 1 1 4 4 LEU CG C 13 26.901 0.021 . 1 . . . . 186 LEU CG . 27243 1 54 . 1 1 4 4 LEU CD1 C 13 22.753 0.017 . 2 . . . . 186 LEU CD1 . 27243 1 55 . 1 1 4 4 LEU CD2 C 13 25.181 0.056 . 2 . . . . 186 LEU CD2 . 27243 1 56 . 1 1 4 4 LEU N N 15 126.082 0.020 . 1 . . . . 186 LEU N . 27243 1 57 . 1 1 5 5 VAL H H 1 9.177 0.005 . 1 . . . . 187 VAL H . 27243 1 58 . 1 1 5 5 VAL HA H 1 4.243 0.002 . 1 . . . . 187 VAL HA . 27243 1 59 . 1 1 5 5 VAL HB H 1 1.994 0.004 . 1 . . . . 187 VAL HB . 27243 1 60 . 1 1 5 5 VAL HG11 H 1 0.778 0.002 . 2 . . . . 187 VAL HG11 . 27243 1 61 . 1 1 5 5 VAL HG12 H 1 0.778 0.002 . 2 . . . . 187 VAL HG12 . 27243 1 62 . 1 1 5 5 VAL HG13 H 1 0.778 0.002 . 2 . . . . 187 VAL HG13 . 27243 1 63 . 1 1 5 5 VAL HG21 H 1 0.650 0.002 . 2 . . . . 187 VAL HG21 . 27243 1 64 . 1 1 5 5 VAL HG22 H 1 0.650 0.002 . 2 . . . . 187 VAL HG22 . 27243 1 65 . 1 1 5 5 VAL HG23 H 1 0.650 0.002 . 2 . . . . 187 VAL HG23 . 27243 1 66 . 1 1 5 5 VAL C C 13 173.833 0.000 . 1 . . . . 187 VAL C . 27243 1 67 . 1 1 5 5 VAL CA C 13 58.819 0.018 . 1 . . . . 187 VAL CA . 27243 1 68 . 1 1 5 5 VAL CB C 13 34.446 0.026 . 1 . . . . 187 VAL CB . 27243 1 69 . 1 1 5 5 VAL CG1 C 13 20.742 0.025 . 2 . . . . 187 VAL CG1 . 27243 1 70 . 1 1 5 5 VAL CG2 C 13 20.620 0.017 . 2 . . . . 187 VAL CG2 . 27243 1 71 . 1 1 5 5 VAL N N 15 124.063 0.029 . 1 . . . . 187 VAL N . 27243 1 72 . 1 1 6 6 PRO HA H 1 4.512 0.006 . 1 . . . . 188 PRO HA . 27243 1 73 . 1 1 6 6 PRO HB2 H 1 1.861 0.003 . 2 . . . . 188 PRO HB2 . 27243 1 74 . 1 1 6 6 PRO HB3 H 1 2.174 0.002 . 2 . . . . 188 PRO HB3 . 27243 1 75 . 1 1 6 6 PRO HG2 H 1 1.990 0.008 . 2 . . . . 188 PRO HG2 . 27243 1 76 . 1 1 6 6 PRO HG3 H 1 2.221 0.004 . 2 . . . . 188 PRO HG3 . 27243 1 77 . 1 1 6 6 PRO HD2 H 1 3.541 0.002 . 2 . . . . 188 PRO HD2 . 27243 1 78 . 1 1 6 6 PRO HD3 H 1 3.819 0.003 . 2 . . . . 188 PRO HD3 . 27243 1 79 . 1 1 6 6 PRO C C 13 175.238 0.047 . 1 . . . . 188 PRO C . 27243 1 80 . 1 1 6 6 PRO CA C 13 62.864 0.021 . 1 . . . . 188 PRO CA . 27243 1 81 . 1 1 6 6 PRO CB C 13 31.821 0.032 . 1 . . . . 188 PRO CB . 27243 1 82 . 1 1 6 6 PRO CG C 13 27.420 0.021 . 1 . . . . 188 PRO CG . 27243 1 83 . 1 1 6 6 PRO CD C 13 50.949 0.041 . 1 . . . . 188 PRO CD . 27243 1 84 . 1 1 7 7 ILE H H 1 8.733 0.002 . 1 . . . . 189 ILE H . 27243 1 85 . 1 1 7 7 ILE HA H 1 4.307 0.003 . 1 . . . . 189 ILE HA . 27243 1 86 . 1 1 7 7 ILE HB H 1 1.005 0.006 . 1 . . . . 189 ILE HB . 27243 1 87 . 1 1 7 7 ILE HG12 H 1 1.006 0.006 . 2 . . . . 189 ILE HG12 . 27243 1 88 . 1 1 7 7 ILE HG13 H 1 1.529 0.004 . 2 . . . . 189 ILE HG13 . 27243 1 89 . 1 1 7 7 ILE HG21 H 1 0.395 0.002 . 1 . . . . 189 ILE HG21 . 27243 1 90 . 1 1 7 7 ILE HG22 H 1 0.395 0.002 . 1 . . . . 189 ILE HG22 . 27243 1 91 . 1 1 7 7 ILE HG23 H 1 0.395 0.002 . 1 . . . . 189 ILE HG23 . 27243 1 92 . 1 1 7 7 ILE HD11 H 1 0.538 0.004 . 1 . . . . 189 ILE HD11 . 27243 1 93 . 1 1 7 7 ILE HD12 H 1 0.538 0.004 . 1 . . . . 189 ILE HD12 . 27243 1 94 . 1 1 7 7 ILE HD13 H 1 0.538 0.004 . 1 . . . . 189 ILE HD13 . 27243 1 95 . 1 1 7 7 ILE C C 13 175.609 0.007 . 1 . . . . 189 ILE C . 27243 1 96 . 1 1 7 7 ILE CA C 13 57.571 0.030 . 1 . . . . 189 ILE CA . 27243 1 97 . 1 1 7 7 ILE CB C 13 37.072 0.034 . 1 . . . . 189 ILE CB . 27243 1 98 . 1 1 7 7 ILE CG1 C 13 26.899 0.021 . 1 . . . . 189 ILE CG1 . 27243 1 99 . 1 1 7 7 ILE CG2 C 13 17.910 0.011 . 1 . . . . 189 ILE CG2 . 27243 1 100 . 1 1 7 7 ILE CD1 C 13 10.705 0.013 . 1 . . . . 189 ILE CD1 . 27243 1 101 . 1 1 7 7 ILE N N 15 124.221 0.020 . 1 . . . . 189 ILE N . 27243 1 102 . 1 1 8 8 ARG H H 1 9.026 0.003 . 1 . . . . 190 ARG H . 27243 1 103 . 1 1 8 8 ARG HA H 1 4.794 0.003 . 1 . . . . 190 ARG HA . 27243 1 104 . 1 1 8 8 ARG HB2 H 1 1.791 0.007 . 2 . . . . 190 ARG HB2 . 27243 1 105 . 1 1 8 8 ARG HB3 H 1 1.693 0.003 . 2 . . . . 190 ARG HB3 . 27243 1 106 . 1 1 8 8 ARG HG2 H 1 1.580 0.002 . 2 . . . . 190 ARG HG2 . 27243 1 107 . 1 1 8 8 ARG HG3 H 1 1.502 0.007 . 2 . . . . 190 ARG HG3 . 27243 1 108 . 1 1 8 8 ARG HD2 H 1 3.198 0.003 . 1 . . . . 190 ARG HD2 . 27243 1 109 . 1 1 8 8 ARG HD3 H 1 3.197 0.003 . 1 . . . . 190 ARG HD3 . 27243 1 110 . 1 1 8 8 ARG C C 13 175.617 0.000 . 1 . . . . 190 ARG C . 27243 1 111 . 1 1 8 8 ARG CA C 13 55.002 0.017 . 1 . . . . 190 ARG CA . 27243 1 112 . 1 1 8 8 ARG CB C 13 32.243 0.022 . 1 . . . . 190 ARG CB . 27243 1 113 . 1 1 8 8 ARG CG C 13 27.645 0.038 . 1 . . . . 190 ARG CG . 27243 1 114 . 1 1 8 8 ARG CD C 13 43.369 0.023 . 1 . . . . 190 ARG CD . 27243 1 115 . 1 1 8 8 ARG N N 15 126.400 0.040 . 1 . . . . 190 ARG N . 27243 1 116 . 1 1 9 9 LEU H H 1 8.917 0.003 . 1 . . . . 191 LEU H . 27243 1 117 . 1 1 9 9 LEU HA H 1 4.800 0.006 . 1 . . . . 191 LEU HA . 27243 1 118 . 1 1 9 9 LEU HB2 H 1 1.776 0.004 . 2 . . . . 191 LEU HB2 . 27243 1 119 . 1 1 9 9 LEU HB3 H 1 1.273 0.005 . 2 . . . . 191 LEU HB3 . 27243 1 120 . 1 1 9 9 LEU HG H 1 1.590 0.003 . 1 . . . . 191 LEU HG . 27243 1 121 . 1 1 9 9 LEU HD11 H 1 0.848 0.003 . 2 . . . . 191 LEU HD11 . 27243 1 122 . 1 1 9 9 LEU HD12 H 1 0.848 0.003 . 2 . . . . 191 LEU HD12 . 27243 1 123 . 1 1 9 9 LEU HD13 H 1 0.848 0.003 . 2 . . . . 191 LEU HD13 . 27243 1 124 . 1 1 9 9 LEU HD21 H 1 1.059 0.005 . 2 . . . . 191 LEU HD21 . 27243 1 125 . 1 1 9 9 LEU HD22 H 1 1.059 0.005 . 2 . . . . 191 LEU HD22 . 27243 1 126 . 1 1 9 9 LEU HD23 H 1 1.059 0.005 . 2 . . . . 191 LEU HD23 . 27243 1 127 . 1 1 9 9 LEU C C 13 175.831 0.041 . 1 . . . . 191 LEU C . 27243 1 128 . 1 1 9 9 LEU CA C 13 53.124 0.022 . 1 . . . . 191 LEU CA . 27243 1 129 . 1 1 9 9 LEU CB C 13 44.174 0.022 . 1 . . . . 191 LEU CB . 27243 1 130 . 1 1 9 9 LEU CG C 13 26.843 0.023 . 1 . . . . 191 LEU CG . 27243 1 131 . 1 1 9 9 LEU CD1 C 13 23.590 0.072 . 2 . . . . 191 LEU CD1 . 27243 1 132 . 1 1 9 9 LEU CD2 C 13 27.581 0.036 . 2 . . . . 191 LEU CD2 . 27243 1 133 . 1 1 9 9 LEU N N 15 124.557 0.026 . 1 . . . . 191 LEU N . 27243 1 134 . 1 1 10 10 ASP H H 1 8.855 0.002 . 1 . . . . 192 ASP H . 27243 1 135 . 1 1 10 10 ASP HA H 1 5.213 0.002 . 1 . . . . 192 ASP HA . 27243 1 136 . 1 1 10 10 ASP HB2 H 1 2.814 0.003 . 2 . . . . 192 ASP HB2 . 27243 1 137 . 1 1 10 10 ASP HB3 H 1 2.531 0.003 . 2 . . . . 192 ASP HB3 . 27243 1 138 . 1 1 10 10 ASP C C 13 174.390 0.005 . 1 . . . . 192 ASP C . 27243 1 139 . 1 1 10 10 ASP CA C 13 54.180 0.022 . 1 . . . . 192 ASP CA . 27243 1 140 . 1 1 10 10 ASP CB C 13 40.896 0.031 . 1 . . . . 192 ASP CB . 27243 1 141 . 1 1 10 10 ASP N N 15 123.972 0.023 . 1 . . . . 192 ASP N . 27243 1 142 . 1 1 11 11 MET H H 1 9.036 0.003 . 1 . . . . 193 MET H . 27243 1 143 . 1 1 11 11 MET HA H 1 4.954 0.002 . 1 . . . . 193 MET HA . 27243 1 144 . 1 1 11 11 MET HB2 H 1 2.262 0.003 . 2 . . . . 193 MET HB2 . 27243 1 145 . 1 1 11 11 MET HB3 H 1 2.009 0.002 . 2 . . . . 193 MET HB3 . 27243 1 146 . 1 1 11 11 MET HG2 H 1 2.607 0.004 . 2 . . . . 193 MET HG2 . 27243 1 147 . 1 1 11 11 MET HG3 H 1 2.462 0.004 . 2 . . . . 193 MET HG3 . 27243 1 148 . 1 1 11 11 MET HE1 H 1 2.009 0.003 . 1 . . . . 193 MET HE1 . 27243 1 149 . 1 1 11 11 MET HE2 H 1 2.009 0.003 . 1 . . . . 193 MET HE2 . 27243 1 150 . 1 1 11 11 MET HE3 H 1 2.009 0.003 . 1 . . . . 193 MET HE3 . 27243 1 151 . 1 1 11 11 MET C C 13 174.310 0.012 . 1 . . . . 193 MET C . 27243 1 152 . 1 1 11 11 MET CA C 13 54.872 0.023 . 1 . . . . 193 MET CA . 27243 1 153 . 1 1 11 11 MET CB C 13 37.556 0.021 . 1 . . . . 193 MET CB . 27243 1 154 . 1 1 11 11 MET CG C 13 31.481 0.017 . 1 . . . . 193 MET CG . 27243 1 155 . 1 1 11 11 MET CE C 13 17.445 0.014 . 1 . . . . 193 MET CE . 27243 1 156 . 1 1 11 11 MET N N 15 120.764 0.019 . 1 . . . . 193 MET N . 27243 1 157 . 1 1 12 12 GLU H H 1 8.581 0.002 . 1 . . . . 194 GLU H . 27243 1 158 . 1 1 12 12 GLU HA H 1 5.278 0.003 . 1 . . . . 194 GLU HA . 27243 1 159 . 1 1 12 12 GLU HB2 H 1 1.873 0.003 . 2 . . . . 194 GLU HB2 . 27243 1 160 . 1 1 12 12 GLU HB3 H 1 1.916 0.006 . 2 . . . . 194 GLU HB3 . 27243 1 161 . 1 1 12 12 GLU HG2 H 1 1.922 0.004 . 1 . . . . 194 GLU HG2 . 27243 1 162 . 1 1 12 12 GLU HG3 H 1 1.920 0.005 . 1 . . . . 194 GLU HG3 . 27243 1 163 . 1 1 12 12 GLU C C 13 174.827 0.006 . 1 . . . . 194 GLU C . 27243 1 164 . 1 1 12 12 GLU CA C 13 55.778 0.024 . 1 . . . . 194 GLU CA . 27243 1 165 . 1 1 12 12 GLU CB C 13 32.110 0.039 . 1 . . . . 194 GLU CB . 27243 1 166 . 1 1 12 12 GLU CG C 13 36.104 0.028 . 1 . . . . 194 GLU CG . 27243 1 167 . 1 1 12 12 GLU N N 15 123.155 0.011 . 1 . . . . 194 GLU N . 27243 1 168 . 1 1 13 13 ILE H H 1 8.588 0.003 . 1 . . . . 195 ILE H . 27243 1 169 . 1 1 13 13 ILE HA H 1 4.191 0.003 . 1 . . . . 195 ILE HA . 27243 1 170 . 1 1 13 13 ILE HB H 1 1.322 0.007 . 1 . . . . 195 ILE HB . 27243 1 171 . 1 1 13 13 ILE HG12 H 1 0.742 0.005 . 2 . . . . 195 ILE HG12 . 27243 1 172 . 1 1 13 13 ILE HG13 H 1 0.945 0.007 . 2 . . . . 195 ILE HG13 . 27243 1 173 . 1 1 13 13 ILE HG21 H 1 0.600 0.003 . 1 . . . . 195 ILE HG21 . 27243 1 174 . 1 1 13 13 ILE HG22 H 1 0.600 0.003 . 1 . . . . 195 ILE HG22 . 27243 1 175 . 1 1 13 13 ILE HG23 H 1 0.600 0.003 . 1 . . . . 195 ILE HG23 . 27243 1 176 . 1 1 13 13 ILE HD11 H 1 -0.020 0.003 . 1 . . . . 195 ILE HD11 . 27243 1 177 . 1 1 13 13 ILE HD12 H 1 -0.020 0.003 . 1 . . . . 195 ILE HD12 . 27243 1 178 . 1 1 13 13 ILE HD13 H 1 -0.020 0.003 . 1 . . . . 195 ILE HD13 . 27243 1 179 . 1 1 13 13 ILE C C 13 176.152 0.007 . 1 . . . . 195 ILE C . 27243 1 180 . 1 1 13 13 ILE CA C 13 61.105 0.014 . 1 . . . . 195 ILE CA . 27243 1 181 . 1 1 13 13 ILE CB C 13 40.063 0.036 . 1 . . . . 195 ILE CB . 27243 1 182 . 1 1 13 13 ILE CG1 C 13 26.612 0.059 . 1 . . . . 195 ILE CG1 . 27243 1 183 . 1 1 13 13 ILE CG2 C 13 16.922 0.016 . 1 . . . . 195 ILE CG2 . 27243 1 184 . 1 1 13 13 ILE CD1 C 13 12.397 0.013 . 1 . . . . 195 ILE CD1 . 27243 1 185 . 1 1 13 13 ILE N N 15 125.122 0.015 . 1 . . . . 195 ILE N . 27243 1 186 . 1 1 14 14 ASP H H 1 9.449 0.003 . 1 . . . . 196 ASP H . 27243 1 187 . 1 1 14 14 ASP HA H 1 4.335 0.004 . 1 . . . . 196 ASP HA . 27243 1 188 . 1 1 14 14 ASP HB2 H 1 3.040 0.004 . 2 . . . . 196 ASP HB2 . 27243 1 189 . 1 1 14 14 ASP HB3 H 1 2.657 0.003 . 2 . . . . 196 ASP HB3 . 27243 1 190 . 1 1 14 14 ASP C C 13 175.861 0.051 . 1 . . . . 196 ASP C . 27243 1 191 . 1 1 14 14 ASP CA C 13 55.437 0.034 . 1 . . . . 196 ASP CA . 27243 1 192 . 1 1 14 14 ASP CB C 13 39.898 0.025 . 1 . . . . 196 ASP CB . 27243 1 193 . 1 1 14 14 ASP N N 15 129.429 0.020 . 1 . . . . 196 ASP N . 27243 1 194 . 1 1 15 15 GLY H H 1 8.760 0.002 . 1 . . . . 197 GLY H . 27243 1 195 . 1 1 15 15 GLY HA2 H 1 3.723 0.004 . 2 . . . . 197 GLY HA2 . 27243 1 196 . 1 1 15 15 GLY HA3 H 1 4.199 0.008 . 2 . . . . 197 GLY HA3 . 27243 1 197 . 1 1 15 15 GLY C C 13 173.956 0.004 . 1 . . . . 197 GLY C . 27243 1 198 . 1 1 15 15 GLY CA C 13 45.544 0.014 . 1 . . . . 197 GLY CA . 27243 1 199 . 1 1 15 15 GLY N N 15 103.770 0.014 . 1 . . . . 197 GLY N . 27243 1 200 . 1 1 16 16 GLN H H 1 8.075 0.003 . 1 . . . . 198 GLN H . 27243 1 201 . 1 1 16 16 GLN HA H 1 4.677 0.002 . 1 . . . . 198 GLN HA . 27243 1 202 . 1 1 16 16 GLN HB2 H 1 2.390 0.005 . 2 . . . . 198 GLN HB2 . 27243 1 203 . 1 1 16 16 GLN HB3 H 1 2.198 0.003 . 2 . . . . 198 GLN HB3 . 27243 1 204 . 1 1 16 16 GLN HG2 H 1 2.398 0.007 . 2 . . . . 198 GLN HG2 . 27243 1 205 . 1 1 16 16 GLN HG3 H 1 2.363 0.007 . 2 . . . . 198 GLN HG3 . 27243 1 206 . 1 1 16 16 GLN HE21 H 1 7.681 0.004 . 1 . . . . 198 GLN HE21 . 27243 1 207 . 1 1 16 16 GLN HE22 H 1 7.040 0.005 . 1 . . . . 198 GLN HE22 . 27243 1 208 . 1 1 16 16 GLN C C 13 174.345 0.007 . 1 . . . . 198 GLN C . 27243 1 209 . 1 1 16 16 GLN CA C 13 54.787 0.027 . 1 . . . . 198 GLN CA . 27243 1 210 . 1 1 16 16 GLN CB C 13 30.798 0.039 . 1 . . . . 198 GLN CB . 27243 1 211 . 1 1 16 16 GLN CG C 13 34.412 0.045 . 1 . . . . 198 GLN CG . 27243 1 212 . 1 1 16 16 GLN N N 15 120.816 0.042 . 1 . . . . 198 GLN N . 27243 1 213 . 1 1 16 16 GLN NE2 N 15 113.877 0.010 . 1 . . . . 198 GLN NE2 . 27243 1 214 . 1 1 17 17 LYS H H 1 8.629 0.005 . 1 . . . . 199 LYS H . 27243 1 215 . 1 1 17 17 LYS HA H 1 4.998 0.003 . 1 . . . . 199 LYS HA . 27243 1 216 . 1 1 17 17 LYS HB2 H 1 1.760 0.007 . 2 . . . . 199 LYS HB2 . 27243 1 217 . 1 1 17 17 LYS HB3 H 1 1.792 0.006 . 2 . . . . 199 LYS HB3 . 27243 1 218 . 1 1 17 17 LYS HG2 H 1 1.423 0.004 . 2 . . . . 199 LYS HG2 . 27243 1 219 . 1 1 17 17 LYS HG3 H 1 1.337 0.005 . 2 . . . . 199 LYS HG3 . 27243 1 220 . 1 1 17 17 LYS HD2 H 1 1.667 0.005 . 1 . . . . 199 LYS HD2 . 27243 1 221 . 1 1 17 17 LYS HD3 H 1 1.669 0.002 . 1 . . . . 199 LYS HD3 . 27243 1 222 . 1 1 17 17 LYS HE2 H 1 2.958 0.003 . 1 . . . . 199 LYS HE2 . 27243 1 223 . 1 1 17 17 LYS HE3 H 1 2.958 0.003 . 1 . . . . 199 LYS HE3 . 27243 1 224 . 1 1 17 17 LYS C C 13 175.266 0.009 . 1 . . . . 199 LYS C . 27243 1 225 . 1 1 17 17 LYS CA C 13 55.818 0.020 . 1 . . . . 199 LYS CA . 27243 1 226 . 1 1 17 17 LYS CB C 13 35.019 0.040 . 1 . . . . 199 LYS CB . 27243 1 227 . 1 1 17 17 LYS CG C 13 25.361 0.014 . 1 . . . . 199 LYS CG . 27243 1 228 . 1 1 17 17 LYS CD C 13 29.331 0.001 . 1 . . . . 199 LYS CD . 27243 1 229 . 1 1 17 17 LYS CE C 13 42.058 0.009 . 1 . . . . 199 LYS CE . 27243 1 230 . 1 1 17 17 LYS N N 15 124.327 0.018 . 1 . . . . 199 LYS N . 27243 1 231 . 1 1 18 18 LEU H H 1 8.758 0.004 . 1 . . . . 200 LEU H . 27243 1 232 . 1 1 18 18 LEU HA H 1 4.550 0.004 . 1 . . . . 200 LEU HA . 27243 1 233 . 1 1 18 18 LEU HB2 H 1 1.774 0.002 . 2 . . . . 200 LEU HB2 . 27243 1 234 . 1 1 18 18 LEU HB3 H 1 1.287 0.004 . 2 . . . . 200 LEU HB3 . 27243 1 235 . 1 1 18 18 LEU HG H 1 1.399 0.007 . 1 . . . . 200 LEU HG . 27243 1 236 . 1 1 18 18 LEU HD11 H 1 0.855 0.006 . 2 . . . . 200 LEU HD11 . 27243 1 237 . 1 1 18 18 LEU HD12 H 1 0.855 0.006 . 2 . . . . 200 LEU HD12 . 27243 1 238 . 1 1 18 18 LEU HD13 H 1 0.855 0.006 . 2 . . . . 200 LEU HD13 . 27243 1 239 . 1 1 18 18 LEU HD21 H 1 0.878 0.007 . 2 . . . . 200 LEU HD21 . 27243 1 240 . 1 1 18 18 LEU HD22 H 1 0.878 0.007 . 2 . . . . 200 LEU HD22 . 27243 1 241 . 1 1 18 18 LEU HD23 H 1 0.878 0.007 . 2 . . . . 200 LEU HD23 . 27243 1 242 . 1 1 18 18 LEU C C 13 173.879 0.024 . 1 . . . . 200 LEU C . 27243 1 243 . 1 1 18 18 LEU CA C 13 54.749 0.019 . 1 . . . . 200 LEU CA . 27243 1 244 . 1 1 18 18 LEU CB C 13 45.130 0.026 . 1 . . . . 200 LEU CB . 27243 1 245 . 1 1 18 18 LEU CG C 13 27.978 0.024 . 1 . . . . 200 LEU CG . 27243 1 246 . 1 1 18 18 LEU CD1 C 13 23.949 0.044 . 2 . . . . 200 LEU CD1 . 27243 1 247 . 1 1 18 18 LEU CD2 C 13 27.070 0.064 . 2 . . . . 200 LEU CD2 . 27243 1 248 . 1 1 18 18 LEU N N 15 124.672 0.039 . 1 . . . . 200 LEU N . 27243 1 249 . 1 1 19 19 ARG H H 1 8.686 0.002 . 1 . . . . 201 ARG H . 27243 1 250 . 1 1 19 19 ARG HA H 1 5.298 0.003 . 1 . . . . 201 ARG HA . 27243 1 251 . 1 1 19 19 ARG HB2 H 1 1.830 0.005 . 2 . . . . 201 ARG HB2 . 27243 1 252 . 1 1 19 19 ARG HB3 H 1 1.758 0.006 . 2 . . . . 201 ARG HB3 . 27243 1 253 . 1 1 19 19 ARG HG2 H 1 1.638 0.007 . 2 . . . . 201 ARG HG2 . 27243 1 254 . 1 1 19 19 ARG HG3 H 1 1.666 0.008 . 2 . . . . 201 ARG HG3 . 27243 1 255 . 1 1 19 19 ARG HD2 H 1 3.206 0.001 . 1 . . . . 201 ARG HD2 . 27243 1 256 . 1 1 19 19 ARG HD3 H 1 3.206 0.001 . 1 . . . . 201 ARG HD3 . 27243 1 257 . 1 1 19 19 ARG C C 13 174.583 0.010 . 1 . . . . 201 ARG C . 27243 1 258 . 1 1 19 19 ARG CA C 13 54.802 0.026 . 1 . . . . 201 ARG CA . 27243 1 259 . 1 1 19 19 ARG CB C 13 32.142 0.023 . 1 . . . . 201 ARG CB . 27243 1 260 . 1 1 19 19 ARG CG C 13 27.602 0.044 . 1 . . . . 201 ARG CG . 27243 1 261 . 1 1 19 19 ARG CD C 13 43.747 0.080 . 1 . . . . 201 ARG CD . 27243 1 262 . 1 1 19 19 ARG N N 15 128.067 0.016 . 1 . . . . 201 ARG N . 27243 1 263 . 1 1 20 20 ASP H H 1 8.754 0.004 . 1 . . . . 202 ASP H . 27243 1 264 . 1 1 20 20 ASP HA H 1 4.904 0.003 . 1 . . . . 202 ASP HA . 27243 1 265 . 1 1 20 20 ASP HB2 H 1 2.640 0.005 . 2 . . . . 202 ASP HB2 . 27243 1 266 . 1 1 20 20 ASP HB3 H 1 2.448 0.002 . 2 . . . . 202 ASP HB3 . 27243 1 267 . 1 1 20 20 ASP C C 13 173.752 0.007 . 1 . . . . 202 ASP C . 27243 1 268 . 1 1 20 20 ASP CA C 13 53.522 0.029 . 1 . . . . 202 ASP CA . 27243 1 269 . 1 1 20 20 ASP CB C 13 44.929 0.026 . 1 . . . . 202 ASP CB . 27243 1 270 . 1 1 20 20 ASP N N 15 123.358 0.023 . 1 . . . . 202 ASP N . 27243 1 271 . 1 1 21 21 ALA H H 1 9.159 0.003 . 1 . . . . 203 ALA H . 27243 1 272 . 1 1 21 21 ALA HA H 1 5.204 0.004 . 1 . . . . 203 ALA HA . 27243 1 273 . 1 1 21 21 ALA HB1 H 1 1.405 0.002 . 1 . . . . 203 ALA HB1 . 27243 1 274 . 1 1 21 21 ALA HB2 H 1 1.405 0.002 . 1 . . . . 203 ALA HB2 . 27243 1 275 . 1 1 21 21 ALA HB3 H 1 1.405 0.002 . 1 . . . . 203 ALA HB3 . 27243 1 276 . 1 1 21 21 ALA C C 13 175.447 0.005 . 1 . . . . 203 ALA C . 27243 1 277 . 1 1 21 21 ALA CA C 13 51.705 0.023 . 1 . . . . 203 ALA CA . 27243 1 278 . 1 1 21 21 ALA CB C 13 21.718 0.027 . 1 . . . . 203 ALA CB . 27243 1 279 . 1 1 21 21 ALA N N 15 124.038 0.023 . 1 . . . . 203 ALA N . 27243 1 280 . 1 1 22 22 PHE H H 1 8.435 0.003 . 1 . . . . 204 PHE H . 27243 1 281 . 1 1 22 22 PHE HA H 1 5.035 0.004 . 1 . . . . 204 PHE HA . 27243 1 282 . 1 1 22 22 PHE HB2 H 1 3.201 0.002 . 2 . . . . 204 PHE HB2 . 27243 1 283 . 1 1 22 22 PHE HB3 H 1 3.546 0.002 . 2 . . . . 204 PHE HB3 . 27243 1 284 . 1 1 22 22 PHE HD1 H 1 7.055 0.007 . 3 . . . . 204 PHE HD1 . 27243 1 285 . 1 1 22 22 PHE HD2 H 1 7.055 0.007 . 3 . . . . 204 PHE HD2 . 27243 1 286 . 1 1 22 22 PHE HE1 H 1 7.038 0.012 . 3 . . . . 204 PHE HE1 . 27243 1 287 . 1 1 22 22 PHE HE2 H 1 7.038 0.012 . 3 . . . . 204 PHE HE2 . 27243 1 288 . 1 1 22 22 PHE HZ H 1 6.961 0.001 . 1 . . . . 204 PHE HZ . 27243 1 289 . 1 1 22 22 PHE C C 13 173.723 0.006 . 1 . . . . 204 PHE C . 27243 1 290 . 1 1 22 22 PHE CA C 13 56.157 0.011 . 1 . . . . 204 PHE CA . 27243 1 291 . 1 1 22 22 PHE CB C 13 39.754 0.024 . 1 . . . . 204 PHE CB . 27243 1 292 . 1 1 22 22 PHE CD1 C 13 132.798 0.048 . 3 . . . . 204 PHE CD1 . 27243 1 293 . 1 1 22 22 PHE CD2 C 13 132.798 0.048 . 3 . . . . 204 PHE CD2 . 27243 1 294 . 1 1 22 22 PHE CE1 C 13 130.487 0.099 . 3 . . . . 204 PHE CE1 . 27243 1 295 . 1 1 22 22 PHE CE2 C 13 130.487 0.099 . 3 . . . . 204 PHE CE2 . 27243 1 296 . 1 1 22 22 PHE CZ C 13 128.936 0.046 . 1 . . . . 204 PHE CZ . 27243 1 297 . 1 1 22 22 PHE N N 15 118.522 0.015 . 1 . . . . 204 PHE N . 27243 1 298 . 1 1 23 23 THR H H 1 8.656 0.003 . 1 . . . . 205 THR H . 27243 1 299 . 1 1 23 23 THR HA H 1 5.052 0.006 . 1 . . . . 205 THR HA . 27243 1 300 . 1 1 23 23 THR HB H 1 3.894 0.002 . 1 . . . . 205 THR HB . 27243 1 301 . 1 1 23 23 THR HG21 H 1 1.039 0.005 . 1 . . . . 205 THR HG21 . 27243 1 302 . 1 1 23 23 THR HG22 H 1 1.039 0.005 . 1 . . . . 205 THR HG22 . 27243 1 303 . 1 1 23 23 THR HG23 H 1 1.039 0.005 . 1 . . . . 205 THR HG23 . 27243 1 304 . 1 1 23 23 THR C C 13 173.128 0.002 . 1 . . . . 205 THR C . 27243 1 305 . 1 1 23 23 THR CA C 13 60.719 0.009 . 1 . . . . 205 THR CA . 27243 1 306 . 1 1 23 23 THR CB C 13 71.292 0.016 . 1 . . . . 205 THR CB . 27243 1 307 . 1 1 23 23 THR CG2 C 13 22.642 0.013 . 1 . . . . 205 THR CG2 . 27243 1 308 . 1 1 23 23 THR N N 15 112.593 0.012 . 1 . . . . 205 THR N . 27243 1 309 . 1 1 24 24 TRP H H 1 9.279 0.003 . 1 . . . . 206 TRP H . 27243 1 310 . 1 1 24 24 TRP HA H 1 4.492 0.006 . 1 . . . . 206 TRP HA . 27243 1 311 . 1 1 24 24 TRP HB2 H 1 3.021 0.005 . 2 . . . . 206 TRP HB2 . 27243 1 312 . 1 1 24 24 TRP HB3 H 1 2.833 0.005 . 2 . . . . 206 TRP HB3 . 27243 1 313 . 1 1 24 24 TRP HD1 H 1 6.750 0.002 . 1 . . . . 206 TRP HD1 . 27243 1 314 . 1 1 24 24 TRP HE1 H 1 10.407 0.002 . 1 . . . . 206 TRP HE1 . 27243 1 315 . 1 1 24 24 TRP HE3 H 1 7.043 0.004 . 1 . . . . 206 TRP HE3 . 27243 1 316 . 1 1 24 24 TRP HZ2 H 1 7.410 0.002 . 1 . . . . 206 TRP HZ2 . 27243 1 317 . 1 1 24 24 TRP HZ3 H 1 6.337 0.003 . 1 . . . . 206 TRP HZ3 . 27243 1 318 . 1 1 24 24 TRP HH2 H 1 6.710 0.002 . 1 . . . . 206 TRP HH2 . 27243 1 319 . 1 1 24 24 TRP C C 13 174.156 0.008 . 1 . . . . 206 TRP C . 27243 1 320 . 1 1 24 24 TRP CA C 13 55.818 0.020 . 1 . . . . 206 TRP CA . 27243 1 321 . 1 1 24 24 TRP CB C 13 32.118 0.039 . 1 . . . . 206 TRP CB . 27243 1 322 . 1 1 24 24 TRP CD1 C 13 127.336 0.063 . 1 . . . . 206 TRP CD1 . 27243 1 323 . 1 1 24 24 TRP CE3 C 13 119.362 0.040 . 1 . . . . 206 TRP CE3 . 27243 1 324 . 1 1 24 24 TRP CZ2 C 13 114.106 0.034 . 1 . . . . 206 TRP CZ2 . 27243 1 325 . 1 1 24 24 TRP CZ3 C 13 120.726 0.059 . 1 . . . . 206 TRP CZ3 . 27243 1 326 . 1 1 24 24 TRP CH2 C 13 123.129 0.038 . 1 . . . . 206 TRP CH2 . 27243 1 327 . 1 1 24 24 TRP N N 15 125.473 0.023 . 1 . . . . 206 TRP N . 27243 1 328 . 1 1 24 24 TRP NE1 N 15 130.854 0.010 . 1 . . . . 206 TRP NE1 . 27243 1 329 . 1 1 25 25 ASN H H 1 7.779 0.002 . 1 . . . . 207 ASN H . 27243 1 330 . 1 1 25 25 ASN HA H 1 4.911 0.002 . 1 . . . . 207 ASN HA . 27243 1 331 . 1 1 25 25 ASN HB2 H 1 2.419 0.005 . 2 . . . . 207 ASN HB2 . 27243 1 332 . 1 1 25 25 ASN HB3 H 1 2.718 0.004 . 2 . . . . 207 ASN HB3 . 27243 1 333 . 1 1 25 25 ASN HD21 H 1 7.632 0.002 . 1 . . . . 207 ASN HD21 . 27243 1 334 . 1 1 25 25 ASN HD22 H 1 7.036 0.004 . 1 . . . . 207 ASN HD22 . 27243 1 335 . 1 1 25 25 ASN C C 13 175.886 0.020 . 1 . . . . 207 ASN C . 27243 1 336 . 1 1 25 25 ASN CA C 13 51.508 0.050 . 1 . . . . 207 ASN CA . 27243 1 337 . 1 1 25 25 ASN CB C 13 38.235 0.059 . 1 . . . . 207 ASN CB . 27243 1 338 . 1 1 25 25 ASN N N 15 126.005 0.025 . 1 . . . . 207 ASN N . 27243 1 339 . 1 1 25 25 ASN ND2 N 15 112.032 0.015 . 1 . . . . 207 ASN ND2 . 27243 1 340 . 1 1 26 26 MET H H 1 9.009 0.003 . 1 . . . . 208 MET H . 27243 1 341 . 1 1 26 26 MET HA H 1 4.483 0.004 . 1 . . . . 208 MET HA . 27243 1 342 . 1 1 26 26 MET HB2 H 1 2.225 0.003 . 2 . . . . 208 MET HB2 . 27243 1 343 . 1 1 26 26 MET HB3 H 1 2.081 0.008 . 2 . . . . 208 MET HB3 . 27243 1 344 . 1 1 26 26 MET HG2 H 1 2.566 0.005 . 2 . . . . 208 MET HG2 . 27243 1 345 . 1 1 26 26 MET HG3 H 1 2.647 0.005 . 2 . . . . 208 MET HG3 . 27243 1 346 . 1 1 26 26 MET HE1 H 1 2.138 0.005 . 1 . . . . 208 MET HE1 . 27243 1 347 . 1 1 26 26 MET HE2 H 1 2.138 0.005 . 1 . . . . 208 MET HE2 . 27243 1 348 . 1 1 26 26 MET HE3 H 1 2.138 0.005 . 1 . . . . 208 MET HE3 . 27243 1 349 . 1 1 26 26 MET C C 13 177.346 0.008 . 1 . . . . 208 MET C . 27243 1 350 . 1 1 26 26 MET CA C 13 56.710 0.032 . 1 . . . . 208 MET CA . 27243 1 351 . 1 1 26 26 MET CB C 13 31.786 0.046 . 1 . . . . 208 MET CB . 27243 1 352 . 1 1 26 26 MET CG C 13 32.485 0.034 . 1 . . . . 208 MET CG . 27243 1 353 . 1 1 26 26 MET CE C 13 16.515 0.025 . 1 . . . . 208 MET CE . 27243 1 354 . 1 1 26 26 MET N N 15 124.261 0.023 . 1 . . . . 208 MET N . 27243 1 355 . 1 1 27 27 ASN H H 1 8.349 0.003 . 1 . . . . 209 ASN H . 27243 1 356 . 1 1 27 27 ASN HA H 1 4.837 0.005 . 1 . . . . 209 ASN HA . 27243 1 357 . 1 1 27 27 ASN HB2 H 1 2.707 0.002 . 2 . . . . 209 ASN HB2 . 27243 1 358 . 1 1 27 27 ASN HB3 H 1 2.930 0.005 . 2 . . . . 209 ASN HB3 . 27243 1 359 . 1 1 27 27 ASN HD21 H 1 7.795 0.006 . 1 . . . . 209 ASN HD21 . 27243 1 360 . 1 1 27 27 ASN HD22 H 1 6.974 0.005 . 1 . . . . 209 ASN HD22 . 27243 1 361 . 1 1 27 27 ASN C C 13 174.979 0.012 . 1 . . . . 209 ASN C . 27243 1 362 . 1 1 27 27 ASN CA C 13 52.780 0.072 . 1 . . . . 209 ASN CA . 27243 1 363 . 1 1 27 27 ASN CB C 13 38.682 0.028 . 1 . . . . 209 ASN CB . 27243 1 364 . 1 1 27 27 ASN N N 15 115.829 0.018 . 1 . . . . 209 ASN N . 27243 1 365 . 1 1 27 27 ASN ND2 N 15 112.656 0.017 . 1 . . . . 209 ASN ND2 . 27243 1 366 . 1 1 28 28 GLU H H 1 7.507 0.005 . 1 . . . . 210 GLU H . 27243 1 367 . 1 1 28 28 GLU HA H 1 4.029 0.002 . 1 . . . . 210 GLU HA . 27243 1 368 . 1 1 28 28 GLU HB2 H 1 1.932 0.008 . 2 . . . . 210 GLU HB2 . 27243 1 369 . 1 1 28 28 GLU HB3 H 1 1.957 0.008 . 2 . . . . 210 GLU HB3 . 27243 1 370 . 1 1 28 28 GLU HG2 H 1 2.144 0.006 . 1 . . . . 210 GLU HG2 . 27243 1 371 . 1 1 28 28 GLU HG3 H 1 2.144 0.006 . 1 . . . . 210 GLU HG3 . 27243 1 372 . 1 1 28 28 GLU C C 13 176.849 0.006 . 1 . . . . 210 GLU C . 27243 1 373 . 1 1 28 28 GLU CA C 13 56.885 0.017 . 1 . . . . 210 GLU CA . 27243 1 374 . 1 1 28 28 GLU CB C 13 29.937 0.030 . 1 . . . . 210 GLU CB . 27243 1 375 . 1 1 28 28 GLU CG C 13 37.082 0.010 . 1 . . . . 210 GLU CG . 27243 1 376 . 1 1 28 28 GLU N N 15 122.024 0.010 . 1 . . . . 210 GLU N . 27243 1 377 . 1 1 29 29 LYS H H 1 8.685 0.002 . 1 . . . . 211 LYS H . 27243 1 378 . 1 1 29 29 LYS HA H 1 4.523 0.003 . 1 . . . . 211 LYS HA . 27243 1 379 . 1 1 29 29 LYS HB2 H 1 1.738 0.003 . 2 . . . . 211 LYS HB2 . 27243 1 380 . 1 1 29 29 LYS HB3 H 1 1.951 0.003 . 2 . . . . 211 LYS HB3 . 27243 1 381 . 1 1 29 29 LYS HG2 H 1 1.480 0.006 . 2 . . . . 211 LYS HG2 . 27243 1 382 . 1 1 29 29 LYS HG3 H 1 1.475 0.008 . 2 . . . . 211 LYS HG3 . 27243 1 383 . 1 1 29 29 LYS HD2 H 1 1.704 0.006 . 2 . . . . 211 LYS HD2 . 27243 1 384 . 1 1 29 29 LYS HD3 H 1 1.654 0.001 . 2 . . . . 211 LYS HD3 . 27243 1 385 . 1 1 29 29 LYS HE2 H 1 3.025 0.002 . 1 . . . . 211 LYS HE2 . 27243 1 386 . 1 1 29 29 LYS HE3 H 1 3.025 0.002 . 1 . . . . 211 LYS HE3 . 27243 1 387 . 1 1 29 29 LYS C C 13 176.790 0.000 . 1 . . . . 211 LYS C . 27243 1 388 . 1 1 29 29 LYS CA C 13 56.317 0.040 . 1 . . . . 211 LYS CA . 27243 1 389 . 1 1 29 29 LYS CB C 13 33.895 0.028 . 1 . . . . 211 LYS CB . 27243 1 390 . 1 1 29 29 LYS CG C 13 24.548 0.009 . 1 . . . . 211 LYS CG . 27243 1 391 . 1 1 29 29 LYS CD C 13 28.760 0.032 . 1 . . . . 211 LYS CD . 27243 1 392 . 1 1 29 29 LYS CE C 13 42.332 0.009 . 1 . . . . 211 LYS CE . 27243 1 393 . 1 1 29 29 LYS N N 15 125.291 0.017 . 1 . . . . 211 LYS N . 27243 1 394 . 1 1 30 30 LEU H H 1 8.471 0.003 . 1 . . . . 212 LEU H . 27243 1 395 . 1 1 30 30 LEU HA H 1 4.469 0.003 . 1 . . . . 212 LEU HA . 27243 1 396 . 1 1 30 30 LEU HB2 H 1 1.633 0.004 . 2 . . . . 212 LEU HB2 . 27243 1 397 . 1 1 30 30 LEU HB3 H 1 1.773 0.003 . 2 . . . . 212 LEU HB3 . 27243 1 398 . 1 1 30 30 LEU HG H 1 1.621 0.000 . 1 . . . . 212 LEU HG . 27243 1 399 . 1 1 30 30 LEU HD11 H 1 0.949 0.003 . 2 . . . . 212 LEU HD11 . 27243 1 400 . 1 1 30 30 LEU HD12 H 1 0.949 0.003 . 2 . . . . 212 LEU HD12 . 27243 1 401 . 1 1 30 30 LEU HD13 H 1 0.949 0.003 . 2 . . . . 212 LEU HD13 . 27243 1 402 . 1 1 30 30 LEU HD21 H 1 0.897 0.007 . 2 . . . . 212 LEU HD21 . 27243 1 403 . 1 1 30 30 LEU HD22 H 1 0.897 0.007 . 2 . . . . 212 LEU HD22 . 27243 1 404 . 1 1 30 30 LEU HD23 H 1 0.897 0.007 . 2 . . . . 212 LEU HD23 . 27243 1 405 . 1 1 30 30 LEU C C 13 177.093 0.009 . 1 . . . . 212 LEU C . 27243 1 406 . 1 1 30 30 LEU CA C 13 56.312 0.043 . 1 . . . . 212 LEU CA . 27243 1 407 . 1 1 30 30 LEU CB C 13 43.093 0.019 . 1 . . . . 212 LEU CB . 27243 1 408 . 1 1 30 30 LEU CG C 13 27.226 0.000 . 1 . . . . 212 LEU CG . 27243 1 409 . 1 1 30 30 LEU CD1 C 13 24.865 0.040 . 2 . . . . 212 LEU CD1 . 27243 1 410 . 1 1 30 30 LEU CD2 C 13 23.377 0.010 . 2 . . . . 212 LEU CD2 . 27243 1 411 . 1 1 30 30 LEU N N 15 121.170 0.015 . 1 . . . . 212 LEU N . 27243 1 412 . 1 1 31 31 MET H H 1 8.542 0.005 . 1 . . . . 213 MET H . 27243 1 413 . 1 1 31 31 MET HA H 1 4.869 0.005 . 1 . . . . 213 MET HA . 27243 1 414 . 1 1 31 31 MET HB2 H 1 1.978 0.002 . 2 . . . . 213 MET HB2 . 27243 1 415 . 1 1 31 31 MET HB3 H 1 2.044 0.007 . 2 . . . . 213 MET HB3 . 27243 1 416 . 1 1 31 31 MET HG2 H 1 2.650 0.006 . 2 . . . . 213 MET HG2 . 27243 1 417 . 1 1 31 31 MET HG3 H 1 2.541 0.004 . 2 . . . . 213 MET HG3 . 27243 1 418 . 1 1 31 31 MET HE1 H 1 2.027 0.004 . 1 . . . . 213 MET HE1 . 27243 1 419 . 1 1 31 31 MET HE2 H 1 2.027 0.004 . 1 . . . . 213 MET HE2 . 27243 1 420 . 1 1 31 31 MET HE3 H 1 2.027 0.004 . 1 . . . . 213 MET HE3 . 27243 1 421 . 1 1 31 31 MET C C 13 175.507 0.006 . 1 . . . . 213 MET C . 27243 1 422 . 1 1 31 31 MET CA C 13 55.034 0.032 . 1 . . . . 213 MET CA . 27243 1 423 . 1 1 31 31 MET CB C 13 33.412 0.054 . 1 . . . . 213 MET CB . 27243 1 424 . 1 1 31 31 MET CG C 13 31.638 0.036 . 1 . . . . 213 MET CG . 27243 1 425 . 1 1 31 31 MET CE C 13 16.392 0.028 . 1 . . . . 213 MET CE . 27243 1 426 . 1 1 31 31 MET N N 15 119.873 0.046 . 1 . . . . 213 MET N . 27243 1 427 . 1 1 32 32 THR H H 1 7.791 0.002 . 1 . . . . 214 THR H . 27243 1 428 . 1 1 32 32 THR HA H 1 5.082 0.004 . 1 . . . . 214 THR HA . 27243 1 429 . 1 1 32 32 THR HB H 1 4.826 0.003 . 1 . . . . 214 THR HB . 27243 1 430 . 1 1 32 32 THR HG1 H 1 6.106 0.002 . 1 . . . . 214 THR HG1 . 27243 1 431 . 1 1 32 32 THR HG21 H 1 1.487 0.002 . 1 . . . . 214 THR HG21 . 27243 1 432 . 1 1 32 32 THR HG22 H 1 1.487 0.002 . 1 . . . . 214 THR HG22 . 27243 1 433 . 1 1 32 32 THR HG23 H 1 1.487 0.002 . 1 . . . . 214 THR HG23 . 27243 1 434 . 1 1 32 32 THR C C 13 174.390 0.000 . 1 . . . . 214 THR C . 27243 1 435 . 1 1 32 32 THR CA C 13 59.471 0.028 . 1 . . . . 214 THR CA . 27243 1 436 . 1 1 32 32 THR CB C 13 69.533 0.051 . 1 . . . . 214 THR CB . 27243 1 437 . 1 1 32 32 THR CG2 C 13 22.264 0.036 . 1 . . . . 214 THR CG2 . 27243 1 438 . 1 1 32 32 THR N N 15 115.599 0.014 . 1 . . . . 214 THR N . 27243 1 439 . 1 1 33 33 PRO HA H 1 4.150 0.004 . 1 . . . . 215 PRO HA . 27243 1 440 . 1 1 33 33 PRO HB2 H 1 2.018 0.003 . 2 . . . . 215 PRO HB2 . 27243 1 441 . 1 1 33 33 PRO HB3 H 1 1.771 0.007 . 2 . . . . 215 PRO HB3 . 27243 1 442 . 1 1 33 33 PRO HG2 H 1 1.254 0.004 . 2 . . . . 215 PRO HG2 . 27243 1 443 . 1 1 33 33 PRO HG3 H 1 1.874 0.006 . 2 . . . . 215 PRO HG3 . 27243 1 444 . 1 1 33 33 PRO HD2 H 1 4.158 0.005 . 2 . . . . 215 PRO HD2 . 27243 1 445 . 1 1 33 33 PRO HD3 H 1 3.920 0.003 . 2 . . . . 215 PRO HD3 . 27243 1 446 . 1 1 33 33 PRO C C 13 178.571 0.009 . 1 . . . . 215 PRO C . 27243 1 447 . 1 1 33 33 PRO CA C 13 66.245 0.015 . 1 . . . . 215 PRO CA . 27243 1 448 . 1 1 33 33 PRO CB C 13 32.120 0.048 . 1 . . . . 215 PRO CB . 27243 1 449 . 1 1 33 33 PRO CG C 13 28.026 0.012 . 1 . . . . 215 PRO CG . 27243 1 450 . 1 1 33 33 PRO CD C 13 50.702 0.039 . 1 . . . . 215 PRO CD . 27243 1 451 . 1 1 34 34 GLU H H 1 9.213 0.003 . 1 . . . . 216 GLU H . 27243 1 452 . 1 1 34 34 GLU HA H 1 3.812 0.005 . 1 . . . . 216 GLU HA . 27243 1 453 . 1 1 34 34 GLU HB2 H 1 2.183 0.004 . 2 . . . . 216 GLU HB2 . 27243 1 454 . 1 1 34 34 GLU HB3 H 1 1.926 0.002 . 2 . . . . 216 GLU HB3 . 27243 1 455 . 1 1 34 34 GLU HG2 H 1 2.662 0.004 . 2 . . . . 216 GLU HG2 . 27243 1 456 . 1 1 34 34 GLU HG3 H 1 1.977 0.009 . 2 . . . . 216 GLU HG3 . 27243 1 457 . 1 1 34 34 GLU C C 13 177.875 0.014 . 1 . . . . 216 GLU C . 27243 1 458 . 1 1 34 34 GLU CA C 13 62.818 0.020 . 1 . . . . 216 GLU CA . 27243 1 459 . 1 1 34 34 GLU CB C 13 28.301 0.045 . 1 . . . . 216 GLU CB . 27243 1 460 . 1 1 34 34 GLU CG C 13 38.386 0.019 . 1 . . . . 216 GLU CG . 27243 1 461 . 1 1 34 34 GLU N N 15 119.981 0.010 . 1 . . . . 216 GLU N . 27243 1 462 . 1 1 35 35 MET H H 1 8.082 0.003 . 1 . . . . 217 MET H . 27243 1 463 . 1 1 35 35 MET HA H 1 4.179 0.004 . 1 . . . . 217 MET HA . 27243 1 464 . 1 1 35 35 MET HB2 H 1 2.328 0.006 . 2 . . . . 217 MET HB2 . 27243 1 465 . 1 1 35 35 MET HB3 H 1 2.401 0.006 . 2 . . . . 217 MET HB3 . 27243 1 466 . 1 1 35 35 MET HG2 H 1 2.704 0.005 . 1 . . . . 217 MET HG2 . 27243 1 467 . 1 1 35 35 MET HG3 H 1 2.704 0.005 . 1 . . . . 217 MET HG3 . 27243 1 468 . 1 1 35 35 MET HE1 H 1 2.288 0.007 . 1 . . . . 217 MET HE1 . 27243 1 469 . 1 1 35 35 MET HE2 H 1 2.288 0.007 . 1 . . . . 217 MET HE2 . 27243 1 470 . 1 1 35 35 MET HE3 H 1 2.288 0.007 . 1 . . . . 217 MET HE3 . 27243 1 471 . 1 1 35 35 MET C C 13 179.054 0.007 . 1 . . . . 217 MET C . 27243 1 472 . 1 1 35 35 MET CA C 13 59.213 0.038 . 1 . . . . 217 MET CA . 27243 1 473 . 1 1 35 35 MET CB C 13 34.624 0.053 . 1 . . . . 217 MET CB . 27243 1 474 . 1 1 35 35 MET CG C 13 31.968 0.013 . 1 . . . . 217 MET CG . 27243 1 475 . 1 1 35 35 MET CE C 13 17.110 0.006 . 1 . . . . 217 MET CE . 27243 1 476 . 1 1 35 35 MET N N 15 120.995 0.020 . 1 . . . . 217 MET N . 27243 1 477 . 1 1 36 36 PHE H H 1 8.543 0.003 . 1 . . . . 218 PHE H . 27243 1 478 . 1 1 36 36 PHE HA H 1 4.182 0.005 . 1 . . . . 218 PHE HA . 27243 1 479 . 1 1 36 36 PHE HB2 H 1 3.249 0.002 . 2 . . . . 218 PHE HB2 . 27243 1 480 . 1 1 36 36 PHE HB3 H 1 3.486 0.003 . 2 . . . . 218 PHE HB3 . 27243 1 481 . 1 1 36 36 PHE HD1 H 1 7.084 0.005 . 3 . . . . 218 PHE HD1 . 27243 1 482 . 1 1 36 36 PHE HD2 H 1 7.084 0.005 . 3 . . . . 218 PHE HD2 . 27243 1 483 . 1 1 36 36 PHE HE1 H 1 6.860 0.014 . 3 . . . . 218 PHE HE1 . 27243 1 484 . 1 1 36 36 PHE HE2 H 1 6.860 0.014 . 3 . . . . 218 PHE HE2 . 27243 1 485 . 1 1 36 36 PHE HZ H 1 6.600 0.002 . 1 . . . . 218 PHE HZ . 27243 1 486 . 1 1 36 36 PHE C C 13 177.351 0.003 . 1 . . . . 218 PHE C . 27243 1 487 . 1 1 36 36 PHE CA C 13 61.626 0.037 . 1 . . . . 218 PHE CA . 27243 1 488 . 1 1 36 36 PHE CB C 13 40.151 0.026 . 1 . . . . 218 PHE CB . 27243 1 489 . 1 1 36 36 PHE CD1 C 13 131.477 0.039 . 3 . . . . 218 PHE CD1 . 27243 1 490 . 1 1 36 36 PHE CD2 C 13 131.477 0.039 . 3 . . . . 218 PHE CD2 . 27243 1 491 . 1 1 36 36 PHE CE1 C 13 131.466 0.033 . 3 . . . . 218 PHE CE1 . 27243 1 492 . 1 1 36 36 PHE CE2 C 13 131.466 0.033 . 3 . . . . 218 PHE CE2 . 27243 1 493 . 1 1 36 36 PHE CZ C 13 130.124 0.037 . 1 . . . . 218 PHE CZ . 27243 1 494 . 1 1 36 36 PHE N N 15 119.468 0.024 . 1 . . . . 218 PHE N . 27243 1 495 . 1 1 37 37 SER H H 1 8.263 0.003 . 1 . . . . 219 SER H . 27243 1 496 . 1 1 37 37 SER HA H 1 3.961 0.002 . 1 . . . . 219 SER HA . 27243 1 497 . 1 1 37 37 SER HB2 H 1 4.354 0.004 . 2 . . . . 219 SER HB2 . 27243 1 498 . 1 1 37 37 SER HB3 H 1 3.906 0.004 . 2 . . . . 219 SER HB3 . 27243 1 499 . 1 1 37 37 SER C C 13 175.630 0.016 . 1 . . . . 219 SER C . 27243 1 500 . 1 1 37 37 SER CA C 13 62.892 0.035 . 1 . . . . 219 SER CA . 27243 1 501 . 1 1 37 37 SER CB C 13 64.000 0.058 . 1 . . . . 219 SER CB . 27243 1 502 . 1 1 37 37 SER N N 15 115.007 0.013 . 1 . . . . 219 SER N . 27243 1 503 . 1 1 38 38 GLU H H 1 8.119 0.003 . 1 . . . . 220 GLU H . 27243 1 504 . 1 1 38 38 GLU HA H 1 3.743 0.002 . 1 . . . . 220 GLU HA . 27243 1 505 . 1 1 38 38 GLU HB2 H 1 2.259 0.004 . 2 . . . . 220 GLU HB2 . 27243 1 506 . 1 1 38 38 GLU HB3 H 1 2.088 0.004 . 2 . . . . 220 GLU HB3 . 27243 1 507 . 1 1 38 38 GLU HG2 H 1 2.531 0.006 . 2 . . . . 220 GLU HG2 . 27243 1 508 . 1 1 38 38 GLU HG3 H 1 2.258 0.002 . 2 . . . . 220 GLU HG3 . 27243 1 509 . 1 1 38 38 GLU C C 13 178.989 0.008 . 1 . . . . 220 GLU C . 27243 1 510 . 1 1 38 38 GLU CA C 13 60.214 0.022 . 1 . . . . 220 GLU CA . 27243 1 511 . 1 1 38 38 GLU CB C 13 29.657 0.026 . 1 . . . . 220 GLU CB . 27243 1 512 . 1 1 38 38 GLU CG C 13 36.802 0.028 . 1 . . . . 220 GLU CG . 27243 1 513 . 1 1 38 38 GLU N N 15 122.649 0.018 . 1 . . . . 220 GLU N . 27243 1 514 . 1 1 39 39 ILE H H 1 7.421 0.002 . 1 . . . . 221 ILE H . 27243 1 515 . 1 1 39 39 ILE HA H 1 3.684 0.002 . 1 . . . . 221 ILE HA . 27243 1 516 . 1 1 39 39 ILE HB H 1 1.738 0.002 . 1 . . . . 221 ILE HB . 27243 1 517 . 1 1 39 39 ILE HG12 H 1 1.070 0.003 . 2 . . . . 221 ILE HG12 . 27243 1 518 . 1 1 39 39 ILE HG13 H 1 1.737 0.002 . 2 . . . . 221 ILE HG13 . 27243 1 519 . 1 1 39 39 ILE HG21 H 1 0.785 0.003 . 1 . . . . 221 ILE HG21 . 27243 1 520 . 1 1 39 39 ILE HG22 H 1 0.785 0.003 . 1 . . . . 221 ILE HG22 . 27243 1 521 . 1 1 39 39 ILE HG23 H 1 0.785 0.003 . 1 . . . . 221 ILE HG23 . 27243 1 522 . 1 1 39 39 ILE HD11 H 1 0.876 0.006 . 1 . . . . 221 ILE HD11 . 27243 1 523 . 1 1 39 39 ILE HD12 H 1 0.876 0.006 . 1 . . . . 221 ILE HD12 . 27243 1 524 . 1 1 39 39 ILE HD13 H 1 0.876 0.006 . 1 . . . . 221 ILE HD13 . 27243 1 525 . 1 1 39 39 ILE C C 13 178.053 0.007 . 1 . . . . 221 ILE C . 27243 1 526 . 1 1 39 39 ILE CA C 13 64.990 0.010 . 1 . . . . 221 ILE CA . 27243 1 527 . 1 1 39 39 ILE CB C 13 38.063 0.035 . 1 . . . . 221 ILE CB . 27243 1 528 . 1 1 39 39 ILE CG1 C 13 28.953 0.028 . 1 . . . . 221 ILE CG1 . 27243 1 529 . 1 1 39 39 ILE CG2 C 13 17.001 0.011 . 1 . . . . 221 ILE CG2 . 27243 1 530 . 1 1 39 39 ILE CD1 C 13 13.680 0.019 . 1 . . . . 221 ILE CD1 . 27243 1 531 . 1 1 39 39 ILE N N 15 121.296 0.009 . 1 . . . . 221 ILE N . 27243 1 532 . 1 1 40 40 LEU H H 1 7.780 0.004 . 1 . . . . 222 LEU H . 27243 1 533 . 1 1 40 40 LEU HA H 1 3.882 0.002 . 1 . . . . 222 LEU HA . 27243 1 534 . 1 1 40 40 LEU HB2 H 1 1.220 0.004 . 2 . . . . 222 LEU HB2 . 27243 1 535 . 1 1 40 40 LEU HB3 H 1 1.412 0.006 . 2 . . . . 222 LEU HB3 . 27243 1 536 . 1 1 40 40 LEU HG H 1 1.308 0.005 . 1 . . . . 222 LEU HG . 27243 1 537 . 1 1 40 40 LEU HD11 H 1 0.671 0.003 . 1 . . . . 222 LEU HD11 . 27243 1 538 . 1 1 40 40 LEU HD12 H 1 0.671 0.003 . 1 . . . . 222 LEU HD12 . 27243 1 539 . 1 1 40 40 LEU HD13 H 1 0.671 0.003 . 1 . . . . 222 LEU HD13 . 27243 1 540 . 1 1 40 40 LEU HD21 H 1 0.671 0.002 . 1 . . . . 222 LEU HD21 . 27243 1 541 . 1 1 40 40 LEU HD22 H 1 0.671 0.002 . 1 . . . . 222 LEU HD22 . 27243 1 542 . 1 1 40 40 LEU HD23 H 1 0.671 0.002 . 1 . . . . 222 LEU HD23 . 27243 1 543 . 1 1 40 40 LEU C C 13 179.092 0.012 . 1 . . . . 222 LEU C . 27243 1 544 . 1 1 40 40 LEU CA C 13 58.085 0.026 . 1 . . . . 222 LEU CA . 27243 1 545 . 1 1 40 40 LEU CB C 13 42.143 0.025 . 1 . . . . 222 LEU CB . 27243 1 546 . 1 1 40 40 LEU CG C 13 26.676 0.024 . 1 . . . . 222 LEU CG . 27243 1 547 . 1 1 40 40 LEU CD1 C 13 24.838 0.025 . 2 . . . . 222 LEU CD1 . 27243 1 548 . 1 1 40 40 LEU CD2 C 13 24.840 0.023 . 2 . . . . 222 LEU CD2 . 27243 1 549 . 1 1 40 40 LEU N N 15 120.863 0.014 . 1 . . . . 222 LEU N . 27243 1 550 . 1 1 41 41 CYS H H 1 8.105 0.003 . 1 . . . . 223 CYS H . 27243 1 551 . 1 1 41 41 CYS HA H 1 3.771 0.005 . 1 . . . . 223 CYS HA . 27243 1 552 . 1 1 41 41 CYS HB2 H 1 3.033 0.002 . 2 . . . . 223 CYS HB2 . 27243 1 553 . 1 1 41 41 CYS HB3 H 1 2.818 0.005 . 2 . . . . 223 CYS HB3 . 27243 1 554 . 1 1 41 41 CYS C C 13 176.981 0.011 . 1 . . . . 223 CYS C . 27243 1 555 . 1 1 41 41 CYS CA C 13 64.683 0.010 . 1 . . . . 223 CYS CA . 27243 1 556 . 1 1 41 41 CYS CB C 13 26.134 0.026 . 1 . . . . 223 CYS CB . 27243 1 557 . 1 1 41 41 CYS N N 15 113.863 0.019 . 1 . . . . 223 CYS N . 27243 1 558 . 1 1 42 42 ASP H H 1 7.591 0.004 . 1 . . . . 224 ASP H . 27243 1 559 . 1 1 42 42 ASP HA H 1 4.524 0.004 . 1 . . . . 224 ASP HA . 27243 1 560 . 1 1 42 42 ASP HB2 H 1 2.775 0.007 . 1 . . . . 224 ASP HB2 . 27243 1 561 . 1 1 42 42 ASP HB3 H 1 2.775 0.007 . 1 . . . . 224 ASP HB3 . 27243 1 562 . 1 1 42 42 ASP C C 13 178.589 0.002 . 1 . . . . 224 ASP C . 27243 1 563 . 1 1 42 42 ASP CA C 13 57.052 0.015 . 1 . . . . 224 ASP CA . 27243 1 564 . 1 1 42 42 ASP CB C 13 41.124 0.024 . 1 . . . . 224 ASP CB . 27243 1 565 . 1 1 42 42 ASP N N 15 119.442 0.011 . 1 . . . . 224 ASP N . 27243 1 566 . 1 1 43 43 ASP H H 1 8.265 0.002 . 1 . . . . 225 ASP H . 27243 1 567 . 1 1 43 43 ASP HA H 1 4.353 0.003 . 1 . . . . 225 ASP HA . 27243 1 568 . 1 1 43 43 ASP HB2 H 1 2.590 0.004 . 2 . . . . 225 ASP HB2 . 27243 1 569 . 1 1 43 43 ASP HB3 H 1 2.753 0.004 . 2 . . . . 225 ASP HB3 . 27243 1 570 . 1 1 43 43 ASP C C 13 178.313 0.009 . 1 . . . . 225 ASP C . 27243 1 571 . 1 1 43 43 ASP CA C 13 57.385 0.035 . 1 . . . . 225 ASP CA . 27243 1 572 . 1 1 43 43 ASP CB C 13 41.015 0.020 . 1 . . . . 225 ASP CB . 27243 1 573 . 1 1 43 43 ASP N N 15 120.028 0.025 . 1 . . . . 225 ASP N . 27243 1 574 . 1 1 44 44 LEU H H 1 7.945 0.004 . 1 . . . . 226 LEU H . 27243 1 575 . 1 1 44 44 LEU HA H 1 4.336 0.003 . 1 . . . . 226 LEU HA . 27243 1 576 . 1 1 44 44 LEU HB2 H 1 1.512 0.006 . 2 . . . . 226 LEU HB2 . 27243 1 577 . 1 1 44 44 LEU HB3 H 1 1.486 0.008 . 2 . . . . 226 LEU HB3 . 27243 1 578 . 1 1 44 44 LEU HG H 1 1.689 0.003 . 1 . . . . 226 LEU HG . 27243 1 579 . 1 1 44 44 LEU HD11 H 1 0.804 0.005 . 2 . . . . 226 LEU HD11 . 27243 1 580 . 1 1 44 44 LEU HD12 H 1 0.804 0.005 . 2 . . . . 226 LEU HD12 . 27243 1 581 . 1 1 44 44 LEU HD13 H 1 0.804 0.005 . 2 . . . . 226 LEU HD13 . 27243 1 582 . 1 1 44 44 LEU HD21 H 1 0.811 0.004 . 2 . . . . 226 LEU HD21 . 27243 1 583 . 1 1 44 44 LEU HD22 H 1 0.811 0.004 . 2 . . . . 226 LEU HD22 . 27243 1 584 . 1 1 44 44 LEU HD23 H 1 0.811 0.004 . 2 . . . . 226 LEU HD23 . 27243 1 585 . 1 1 44 44 LEU C C 13 175.677 0.016 . 1 . . . . 226 LEU C . 27243 1 586 . 1 1 44 44 LEU CA C 13 54.454 0.038 . 1 . . . . 226 LEU CA . 27243 1 587 . 1 1 44 44 LEU CB C 13 42.384 0.024 . 1 . . . . 226 LEU CB . 27243 1 588 . 1 1 44 44 LEU CG C 13 26.958 0.018 . 1 . . . . 226 LEU CG . 27243 1 589 . 1 1 44 44 LEU CD1 C 13 25.914 0.024 . 2 . . . . 226 LEU CD1 . 27243 1 590 . 1 1 44 44 LEU CD2 C 13 22.203 0.014 . 2 . . . . 226 LEU CD2 . 27243 1 591 . 1 1 44 44 LEU N N 15 116.261 0.010 . 1 . . . . 226 LEU N . 27243 1 592 . 1 1 45 45 ASP H H 1 7.666 0.004 . 1 . . . . 227 ASP H . 27243 1 593 . 1 1 45 45 ASP HA H 1 4.366 0.002 . 1 . . . . 227 ASP HA . 27243 1 594 . 1 1 45 45 ASP HB2 H 1 3.087 0.004 . 2 . . . . 227 ASP HB2 . 27243 1 595 . 1 1 45 45 ASP HB3 H 1 2.534 0.005 . 2 . . . . 227 ASP HB3 . 27243 1 596 . 1 1 45 45 ASP C C 13 174.905 0.012 . 1 . . . . 227 ASP C . 27243 1 597 . 1 1 45 45 ASP CA C 13 55.346 0.025 . 1 . . . . 227 ASP CA . 27243 1 598 . 1 1 45 45 ASP CB C 13 39.153 0.044 . 1 . . . . 227 ASP CB . 27243 1 599 . 1 1 45 45 ASP N N 15 119.151 0.015 . 1 . . . . 227 ASP N . 27243 1 600 . 1 1 46 46 LEU H H 1 8.180 0.002 . 1 . . . . 228 LEU H . 27243 1 601 . 1 1 46 46 LEU HA H 1 4.382 0.005 . 1 . . . . 228 LEU HA . 27243 1 602 . 1 1 46 46 LEU HB2 H 1 1.229 0.006 . 2 . . . . 228 LEU HB2 . 27243 1 603 . 1 1 46 46 LEU HB3 H 1 0.749 0.004 . 2 . . . . 228 LEU HB3 . 27243 1 604 . 1 1 46 46 LEU HG H 1 1.235 0.004 . 1 . . . . 228 LEU HG . 27243 1 605 . 1 1 46 46 LEU HD11 H 1 0.216 0.003 . 2 . . . . 228 LEU HD11 . 27243 1 606 . 1 1 46 46 LEU HD12 H 1 0.216 0.003 . 2 . . . . 228 LEU HD12 . 27243 1 607 . 1 1 46 46 LEU HD13 H 1 0.216 0.003 . 2 . . . . 228 LEU HD13 . 27243 1 608 . 1 1 46 46 LEU HD21 H 1 0.211 0.003 . 2 . . . . 228 LEU HD21 . 27243 1 609 . 1 1 46 46 LEU HD22 H 1 0.211 0.003 . 2 . . . . 228 LEU HD22 . 27243 1 610 . 1 1 46 46 LEU HD23 H 1 0.211 0.003 . 2 . . . . 228 LEU HD23 . 27243 1 611 . 1 1 46 46 LEU C C 13 177.189 0.008 . 1 . . . . 228 LEU C . 27243 1 612 . 1 1 46 46 LEU CA C 13 52.686 0.044 . 1 . . . . 228 LEU CA . 27243 1 613 . 1 1 46 46 LEU CB C 13 43.731 0.037 . 1 . . . . 228 LEU CB . 27243 1 614 . 1 1 46 46 LEU CG C 13 25.895 0.042 . 1 . . . . 228 LEU CG . 27243 1 615 . 1 1 46 46 LEU CD1 C 13 21.586 0.016 . 2 . . . . 228 LEU CD1 . 27243 1 616 . 1 1 46 46 LEU CD2 C 13 25.771 0.039 . 2 . . . . 228 LEU CD2 . 27243 1 617 . 1 1 46 46 LEU N N 15 117.759 0.015 . 1 . . . . 228 LEU N . 27243 1 618 . 1 1 47 47 ASN H H 1 8.511 0.002 . 1 . . . . 229 ASN H . 27243 1 619 . 1 1 47 47 ASN HA H 1 4.824 0.000 . 1 . . . . 229 ASN HA . 27243 1 620 . 1 1 47 47 ASN HB2 H 1 3.403 0.002 . 2 . . . . 229 ASN HB2 . 27243 1 621 . 1 1 47 47 ASN HB3 H 1 3.079 0.004 . 2 . . . . 229 ASN HB3 . 27243 1 622 . 1 1 47 47 ASN HD21 H 1 7.962 0.002 . 1 . . . . 229 ASN HD21 . 27243 1 623 . 1 1 47 47 ASN HD22 H 1 7.109 0.002 . 1 . . . . 229 ASN HD22 . 27243 1 624 . 1 1 47 47 ASN C C 13 174.665 0.000 . 1 . . . . 229 ASN C . 27243 1 625 . 1 1 47 47 ASN CA C 13 51.175 0.012 . 1 . . . . 229 ASN CA . 27243 1 626 . 1 1 47 47 ASN CB C 13 38.781 0.027 . 1 . . . . 229 ASN CB . 27243 1 627 . 1 1 47 47 ASN N N 15 120.418 0.027 . 1 . . . . 229 ASN N . 27243 1 628 . 1 1 47 47 ASN ND2 N 15 112.326 0.023 . 1 . . . . 229 ASN ND2 . 27243 1 629 . 1 1 48 48 PRO HA H 1 4.754 0.007 . 1 . . . . 230 PRO HA . 27243 1 630 . 1 1 48 48 PRO HB2 H 1 2.088 0.008 . 2 . . . . 230 PRO HB2 . 27243 1 631 . 1 1 48 48 PRO HB3 H 1 2.359 0.005 . 2 . . . . 230 PRO HB3 . 27243 1 632 . 1 1 48 48 PRO HG2 H 1 2.119 0.008 . 1 . . . . 230 PRO HG2 . 27243 1 633 . 1 1 48 48 PRO HG3 H 1 2.118 0.008 . 1 . . . . 230 PRO HG3 . 27243 1 634 . 1 1 48 48 PRO HD2 H 1 4.379 0.004 . 2 . . . . 230 PRO HD2 . 27243 1 635 . 1 1 48 48 PRO HD3 H 1 4.064 0.005 . 2 . . . . 230 PRO HD3 . 27243 1 636 . 1 1 48 48 PRO C C 13 179.432 0.002 . 1 . . . . 230 PRO C . 27243 1 637 . 1 1 48 48 PRO CA C 13 64.703 0.043 . 1 . . . . 230 PRO CA . 27243 1 638 . 1 1 48 48 PRO CB C 13 32.512 0.050 . 1 . . . . 230 PRO CB . 27243 1 639 . 1 1 48 48 PRO CG C 13 27.513 0.013 . 1 . . . . 230 PRO CG . 27243 1 640 . 1 1 48 48 PRO CD C 13 51.108 0.034 . 1 . . . . 230 PRO CD . 27243 1 641 . 1 1 49 49 LEU H H 1 7.735 0.003 . 1 . . . . 231 LEU H . 27243 1 642 . 1 1 49 49 LEU HA H 1 4.097 0.005 . 1 . . . . 231 LEU HA . 27243 1 643 . 1 1 49 49 LEU HB2 H 1 1.849 0.003 . 2 . . . . 231 LEU HB2 . 27243 1 644 . 1 1 49 49 LEU HB3 H 1 1.598 0.004 . 2 . . . . 231 LEU HB3 . 27243 1 645 . 1 1 49 49 LEU HG H 1 1.744 0.004 . 1 . . . . 231 LEU HG . 27243 1 646 . 1 1 49 49 LEU HD11 H 1 1.020 0.004 . 2 . . . . 231 LEU HD11 . 27243 1 647 . 1 1 49 49 LEU HD12 H 1 1.020 0.004 . 2 . . . . 231 LEU HD12 . 27243 1 648 . 1 1 49 49 LEU HD13 H 1 1.020 0.004 . 2 . . . . 231 LEU HD13 . 27243 1 649 . 1 1 49 49 LEU HD21 H 1 0.943 0.003 . 2 . . . . 231 LEU HD21 . 27243 1 650 . 1 1 49 49 LEU HD22 H 1 0.943 0.003 . 2 . . . . 231 LEU HD22 . 27243 1 651 . 1 1 49 49 LEU HD23 H 1 0.943 0.003 . 2 . . . . 231 LEU HD23 . 27243 1 652 . 1 1 49 49 LEU C C 13 178.635 0.015 . 1 . . . . 231 LEU C . 27243 1 653 . 1 1 49 49 LEU CA C 13 57.605 0.021 . 1 . . . . 231 LEU CA . 27243 1 654 . 1 1 49 49 LEU CB C 13 41.577 0.033 . 1 . . . . 231 LEU CB . 27243 1 655 . 1 1 49 49 LEU CG C 13 27.483 0.018 . 1 . . . . 231 LEU CG . 27243 1 656 . 1 1 49 49 LEU CD1 C 13 24.835 0.022 . 2 . . . . 231 LEU CD1 . 27243 1 657 . 1 1 49 49 LEU CD2 C 13 23.243 0.027 . 2 . . . . 231 LEU CD2 . 27243 1 658 . 1 1 49 49 LEU N N 15 116.968 0.015 . 1 . . . . 231 LEU N . 27243 1 659 . 1 1 50 50 THR H H 1 7.051 0.004 . 1 . . . . 232 THR H . 27243 1 660 . 1 1 50 50 THR HA H 1 4.250 0.005 . 1 . . . . 232 THR HA . 27243 1 661 . 1 1 50 50 THR HB H 1 3.962 0.001 . 1 . . . . 232 THR HB . 27243 1 662 . 1 1 50 50 THR HG21 H 1 1.023 0.003 . 1 . . . . 232 THR HG21 . 27243 1 663 . 1 1 50 50 THR HG22 H 1 1.023 0.003 . 1 . . . . 232 THR HG22 . 27243 1 664 . 1 1 50 50 THR HG23 H 1 1.023 0.003 . 1 . . . . 232 THR HG23 . 27243 1 665 . 1 1 50 50 THR C C 13 177.152 0.002 . 1 . . . . 232 THR C . 27243 1 666 . 1 1 50 50 THR CA C 13 61.754 0.040 . 1 . . . . 232 THR CA . 27243 1 667 . 1 1 50 50 THR CB C 13 68.664 0.020 . 1 . . . . 232 THR CB . 27243 1 668 . 1 1 50 50 THR CG2 C 13 22.709 0.024 . 1 . . . . 232 THR CG2 . 27243 1 669 . 1 1 50 50 THR N N 15 105.491 0.029 . 1 . . . . 232 THR N . 27243 1 670 . 1 1 51 51 PHE H H 1 8.516 0.004 . 1 . . . . 233 PHE H . 27243 1 671 . 1 1 51 51 PHE HA H 1 4.234 0.003 . 1 . . . . 233 PHE HA . 27243 1 672 . 1 1 51 51 PHE HB2 H 1 2.822 0.007 . 2 . . . . 233 PHE HB2 . 27243 1 673 . 1 1 51 51 PHE HB3 H 1 3.173 0.002 . 2 . . . . 233 PHE HB3 . 27243 1 674 . 1 1 51 51 PHE HD1 H 1 7.419 0.004 . 3 . . . . 233 PHE HD1 . 27243 1 675 . 1 1 51 51 PHE HD2 H 1 7.419 0.004 . 3 . . . . 233 PHE HD2 . 27243 1 676 . 1 1 51 51 PHE HE1 H 1 7.307 0.006 . 3 . . . . 233 PHE HE1 . 27243 1 677 . 1 1 51 51 PHE HE2 H 1 7.307 0.006 . 3 . . . . 233 PHE HE2 . 27243 1 678 . 1 1 51 51 PHE HZ H 1 7.298 0.005 . 1 . . . . 233 PHE HZ . 27243 1 679 . 1 1 51 51 PHE C C 13 177.621 0.022 . 1 . . . . 233 PHE C . 27243 1 680 . 1 1 51 51 PHE CA C 13 63.167 0.028 . 1 . . . . 233 PHE CA . 27243 1 681 . 1 1 51 51 PHE CB C 13 40.992 0.024 . 1 . . . . 233 PHE CB . 27243 1 682 . 1 1 51 51 PHE CD1 C 13 131.901 0.068 . 3 . . . . 233 PHE CD1 . 27243 1 683 . 1 1 51 51 PHE CD2 C 13 131.901 0.068 . 3 . . . . 233 PHE CD2 . 27243 1 684 . 1 1 51 51 PHE CE1 C 13 131.883 0.039 . 3 . . . . 233 PHE CE1 . 27243 1 685 . 1 1 51 51 PHE CE2 C 13 131.883 0.039 . 3 . . . . 233 PHE CE2 . 27243 1 686 . 1 1 51 51 PHE CZ C 13 129.848 0.048 . 1 . . . . 233 PHE CZ . 27243 1 687 . 1 1 51 51 PHE N N 15 119.432 0.018 . 1 . . . . 233 PHE N . 27243 1 688 . 1 1 52 52 VAL H H 1 8.339 0.004 . 1 . . . . 234 VAL H . 27243 1 689 . 1 1 52 52 VAL HA H 1 3.864 0.005 . 1 . . . . 234 VAL HA . 27243 1 690 . 1 1 52 52 VAL HB H 1 2.617 0.003 . 1 . . . . 234 VAL HB . 27243 1 691 . 1 1 52 52 VAL HG11 H 1 1.114 0.003 . 2 . . . . 234 VAL HG11 . 27243 1 692 . 1 1 52 52 VAL HG12 H 1 1.114 0.003 . 2 . . . . 234 VAL HG12 . 27243 1 693 . 1 1 52 52 VAL HG13 H 1 1.114 0.003 . 2 . . . . 234 VAL HG13 . 27243 1 694 . 1 1 52 52 VAL HG21 H 1 1.014 0.005 . 2 . . . . 234 VAL HG21 . 27243 1 695 . 1 1 52 52 VAL HG22 H 1 1.014 0.005 . 2 . . . . 234 VAL HG22 . 27243 1 696 . 1 1 52 52 VAL HG23 H 1 1.014 0.005 . 2 . . . . 234 VAL HG23 . 27243 1 697 . 1 1 52 52 VAL C C 13 175.064 0.000 . 1 . . . . 234 VAL C . 27243 1 698 . 1 1 52 52 VAL CA C 13 69.544 0.033 . 1 . . . . 234 VAL CA . 27243 1 699 . 1 1 52 52 VAL CB C 13 28.155 0.027 . 1 . . . . 234 VAL CB . 27243 1 700 . 1 1 52 52 VAL CG1 C 13 25.418 0.013 . 2 . . . . 234 VAL CG1 . 27243 1 701 . 1 1 52 52 VAL CG2 C 13 20.580 0.017 . 2 . . . . 234 VAL CG2 . 27243 1 702 . 1 1 52 52 VAL N N 15 118.840 0.025 . 1 . . . . 234 VAL N . 27243 1 703 . 1 1 53 53 PRO HA H 1 4.406 0.003 . 1 . . . . 235 PRO HA . 27243 1 704 . 1 1 53 53 PRO HB2 H 1 2.303 0.005 . 2 . . . . 235 PRO HB2 . 27243 1 705 . 1 1 53 53 PRO HB3 H 1 1.858 0.003 . 2 . . . . 235 PRO HB3 . 27243 1 706 . 1 1 53 53 PRO HG2 H 1 2.022 0.004 . 2 . . . . 235 PRO HG2 . 27243 1 707 . 1 1 53 53 PRO HG3 H 1 2.058 0.007 . 2 . . . . 235 PRO HG3 . 27243 1 708 . 1 1 53 53 PRO HD2 H 1 3.599 0.003 . 2 . . . . 235 PRO HD2 . 27243 1 709 . 1 1 53 53 PRO HD3 H 1 3.512 0.003 . 2 . . . . 235 PRO HD3 . 27243 1 710 . 1 1 53 53 PRO C C 13 179.782 0.027 . 1 . . . . 235 PRO C . 27243 1 711 . 1 1 53 53 PRO CA C 13 65.139 0.008 . 1 . . . . 235 PRO CA . 27243 1 712 . 1 1 53 53 PRO CB C 13 30.615 0.017 . 1 . . . . 235 PRO CB . 27243 1 713 . 1 1 53 53 PRO CG C 13 28.223 0.037 . 1 . . . . 235 PRO CG . 27243 1 714 . 1 1 53 53 PRO CD C 13 49.412 0.027 . 1 . . . . 235 PRO CD . 27243 1 715 . 1 1 54 54 ALA H H 1 6.639 0.003 . 1 . . . . 236 ALA H . 27243 1 716 . 1 1 54 54 ALA HA H 1 4.162 0.003 . 1 . . . . 236 ALA HA . 27243 1 717 . 1 1 54 54 ALA HB1 H 1 1.409 0.005 . 1 . . . . 236 ALA HB1 . 27243 1 718 . 1 1 54 54 ALA HB2 H 1 1.409 0.005 . 1 . . . . 236 ALA HB2 . 27243 1 719 . 1 1 54 54 ALA HB3 H 1 1.409 0.005 . 1 . . . . 236 ALA HB3 . 27243 1 720 . 1 1 54 54 ALA C C 13 180.518 0.004 . 1 . . . . 236 ALA C . 27243 1 721 . 1 1 54 54 ALA CA C 13 55.070 0.015 . 1 . . . . 236 ALA CA . 27243 1 722 . 1 1 54 54 ALA CB C 13 19.617 0.047 . 1 . . . . 236 ALA CB . 27243 1 723 . 1 1 54 54 ALA N N 15 119.075 0.019 . 1 . . . . 236 ALA N . 27243 1 724 . 1 1 55 55 ILE H H 1 9.009 0.002 . 1 . . . . 237 ILE H . 27243 1 725 . 1 1 55 55 ILE HA H 1 3.584 0.002 . 1 . . . . 237 ILE HA . 27243 1 726 . 1 1 55 55 ILE HB H 1 1.985 0.007 . 1 . . . . 237 ILE HB . 27243 1 727 . 1 1 55 55 ILE HG12 H 1 0.902 0.004 . 2 . . . . 237 ILE HG12 . 27243 1 728 . 1 1 55 55 ILE HG13 H 1 2.178 0.006 . 2 . . . . 237 ILE HG13 . 27243 1 729 . 1 1 55 55 ILE HG21 H 1 1.038 0.006 . 1 . . . . 237 ILE HG21 . 27243 1 730 . 1 1 55 55 ILE HG22 H 1 1.038 0.006 . 1 . . . . 237 ILE HG22 . 27243 1 731 . 1 1 55 55 ILE HG23 H 1 1.038 0.006 . 1 . . . . 237 ILE HG23 . 27243 1 732 . 1 1 55 55 ILE HD11 H 1 0.842 0.005 . 1 . . . . 237 ILE HD11 . 27243 1 733 . 1 1 55 55 ILE HD12 H 1 0.842 0.005 . 1 . . . . 237 ILE HD12 . 27243 1 734 . 1 1 55 55 ILE HD13 H 1 0.842 0.005 . 1 . . . . 237 ILE HD13 . 27243 1 735 . 1 1 55 55 ILE C C 13 177.484 0.011 . 1 . . . . 237 ILE C . 27243 1 736 . 1 1 55 55 ILE CA C 13 66.050 0.021 . 1 . . . . 237 ILE CA . 27243 1 737 . 1 1 55 55 ILE CB C 13 38.403 0.023 . 1 . . . . 237 ILE CB . 27243 1 738 . 1 1 55 55 ILE CG1 C 13 29.194 0.019 . 1 . . . . 237 ILE CG1 . 27243 1 739 . 1 1 55 55 ILE CG2 C 13 18.832 0.041 . 1 . . . . 237 ILE CG2 . 27243 1 740 . 1 1 55 55 ILE CD1 C 13 15.435 0.048 . 1 . . . . 237 ILE CD1 . 27243 1 741 . 1 1 55 55 ILE N N 15 121.095 0.011 . 1 . . . . 237 ILE N . 27243 1 742 . 1 1 56 56 ALA H H 1 8.503 0.003 . 1 . . . . 238 ALA H . 27243 1 743 . 1 1 56 56 ALA HA H 1 3.673 0.003 . 1 . . . . 238 ALA HA . 27243 1 744 . 1 1 56 56 ALA HB1 H 1 1.385 0.005 . 1 . . . . 238 ALA HB1 . 27243 1 745 . 1 1 56 56 ALA HB2 H 1 1.385 0.005 . 1 . . . . 238 ALA HB2 . 27243 1 746 . 1 1 56 56 ALA HB3 H 1 1.385 0.005 . 1 . . . . 238 ALA HB3 . 27243 1 747 . 1 1 56 56 ALA C C 13 179.485 0.004 . 1 . . . . 238 ALA C . 27243 1 748 . 1 1 56 56 ALA CA C 13 56.160 0.013 . 1 . . . . 238 ALA CA . 27243 1 749 . 1 1 56 56 ALA CB C 13 18.175 0.019 . 1 . . . . 238 ALA CB . 27243 1 750 . 1 1 56 56 ALA N N 15 121.792 0.037 . 1 . . . . 238 ALA N . 27243 1 751 . 1 1 57 57 SER H H 1 7.822 0.004 . 1 . . . . 239 SER H . 27243 1 752 . 1 1 57 57 SER HA H 1 4.176 0.006 . 1 . . . . 239 SER HA . 27243 1 753 . 1 1 57 57 SER HB2 H 1 3.940 0.006 . 2 . . . . 239 SER HB2 . 27243 1 754 . 1 1 57 57 SER HB3 H 1 4.003 0.004 . 2 . . . . 239 SER HB3 . 27243 1 755 . 1 1 57 57 SER C C 13 176.542 0.006 . 1 . . . . 239 SER C . 27243 1 756 . 1 1 57 57 SER CA C 13 61.440 0.041 . 1 . . . . 239 SER CA . 27243 1 757 . 1 1 57 57 SER CB C 13 62.953 0.043 . 1 . . . . 239 SER CB . 27243 1 758 . 1 1 57 57 SER N N 15 110.264 0.017 . 1 . . . . 239 SER N . 27243 1 759 . 1 1 58 58 ALA H H 1 7.637 0.004 . 1 . . . . 240 ALA H . 27243 1 760 . 1 1 58 58 ALA HA H 1 4.222 0.004 . 1 . . . . 240 ALA HA . 27243 1 761 . 1 1 58 58 ALA HB1 H 1 1.485 0.004 . 1 . . . . 240 ALA HB1 . 27243 1 762 . 1 1 58 58 ALA HB2 H 1 1.485 0.004 . 1 . . . . 240 ALA HB2 . 27243 1 763 . 1 1 58 58 ALA HB3 H 1 1.485 0.004 . 1 . . . . 240 ALA HB3 . 27243 1 764 . 1 1 58 58 ALA C C 13 180.317 0.005 . 1 . . . . 240 ALA C . 27243 1 765 . 1 1 58 58 ALA CA C 13 55.354 0.034 . 1 . . . . 240 ALA CA . 27243 1 766 . 1 1 58 58 ALA CB C 13 18.345 0.028 . 1 . . . . 240 ALA CB . 27243 1 767 . 1 1 58 58 ALA N N 15 125.145 0.037 . 1 . . . . 240 ALA N . 27243 1 768 . 1 1 59 59 ILE H H 1 8.418 0.003 . 1 . . . . 241 ILE H . 27243 1 769 . 1 1 59 59 ILE HA H 1 3.321 0.002 . 1 . . . . 241 ILE HA . 27243 1 770 . 1 1 59 59 ILE HB H 1 1.616 0.005 . 1 . . . . 241 ILE HB . 27243 1 771 . 1 1 59 59 ILE HG12 H 1 0.721 0.007 . 2 . . . . 241 ILE HG12 . 27243 1 772 . 1 1 59 59 ILE HG13 H 1 2.010 0.006 . 2 . . . . 241 ILE HG13 . 27243 1 773 . 1 1 59 59 ILE HG21 H 1 -0.137 0.003 . 1 . . . . 241 ILE HG21 . 27243 1 774 . 1 1 59 59 ILE HG22 H 1 -0.137 0.003 . 1 . . . . 241 ILE HG22 . 27243 1 775 . 1 1 59 59 ILE HG23 H 1 -0.137 0.003 . 1 . . . . 241 ILE HG23 . 27243 1 776 . 1 1 59 59 ILE HD11 H 1 0.794 0.005 . 1 . . . . 241 ILE HD11 . 27243 1 777 . 1 1 59 59 ILE HD12 H 1 0.794 0.005 . 1 . . . . 241 ILE HD12 . 27243 1 778 . 1 1 59 59 ILE HD13 H 1 0.794 0.005 . 1 . . . . 241 ILE HD13 . 27243 1 779 . 1 1 59 59 ILE C C 13 177.416 0.011 . 1 . . . . 241 ILE C . 27243 1 780 . 1 1 59 59 ILE CA C 13 66.148 0.029 . 1 . . . . 241 ILE CA . 27243 1 781 . 1 1 59 59 ILE CB C 13 38.571 0.014 . 1 . . . . 241 ILE CB . 27243 1 782 . 1 1 59 59 ILE CG1 C 13 29.432 0.046 . 1 . . . . 241 ILE CG1 . 27243 1 783 . 1 1 59 59 ILE CG2 C 13 15.953 0.025 . 1 . . . . 241 ILE CG2 . 27243 1 784 . 1 1 59 59 ILE CD1 C 13 15.012 0.011 . 1 . . . . 241 ILE CD1 . 27243 1 785 . 1 1 59 59 ILE N N 15 117.810 0.022 . 1 . . . . 241 ILE N . 27243 1 786 . 1 1 60 60 ARG H H 1 8.066 0.004 . 1 . . . . 242 ARG H . 27243 1 787 . 1 1 60 60 ARG HA H 1 3.673 0.003 . 1 . . . . 242 ARG HA . 27243 1 788 . 1 1 60 60 ARG HB2 H 1 1.792 0.002 . 1 . . . . 242 ARG HB2 . 27243 1 789 . 1 1 60 60 ARG HB3 H 1 1.793 0.002 . 1 . . . . 242 ARG HB3 . 27243 1 790 . 1 1 60 60 ARG HG2 H 1 1.435 0.005 . 1 . . . . 242 ARG HG2 . 27243 1 791 . 1 1 60 60 ARG HG3 H 1 1.435 0.005 . 1 . . . . 242 ARG HG3 . 27243 1 792 . 1 1 60 60 ARG HD2 H 1 3.109 0.003 . 2 . . . . 242 ARG HD2 . 27243 1 793 . 1 1 60 60 ARG HD3 H 1 3.218 0.001 . 2 . . . . 242 ARG HD3 . 27243 1 794 . 1 1 60 60 ARG C C 13 178.595 0.004 . 1 . . . . 242 ARG C . 27243 1 795 . 1 1 60 60 ARG CA C 13 60.962 0.019 . 1 . . . . 242 ARG CA . 27243 1 796 . 1 1 60 60 ARG CB C 13 29.852 0.040 . 1 . . . . 242 ARG CB . 27243 1 797 . 1 1 60 60 ARG CG C 13 30.037 0.037 . 1 . . . . 242 ARG CG . 27243 1 798 . 1 1 60 60 ARG CD C 13 43.039 0.028 . 1 . . . . 242 ARG CD . 27243 1 799 . 1 1 60 60 ARG N N 15 116.870 0.013 . 1 . . . . 242 ARG N . 27243 1 800 . 1 1 61 61 GLN H H 1 8.344 0.002 . 1 . . . . 243 GLN H . 27243 1 801 . 1 1 61 61 GLN HA H 1 4.061 0.002 . 1 . . . . 243 GLN HA . 27243 1 802 . 1 1 61 61 GLN HB2 H 1 2.196 0.002 . 1 . . . . 243 GLN HB2 . 27243 1 803 . 1 1 61 61 GLN HB3 H 1 2.196 0.002 . 1 . . . . 243 GLN HB3 . 27243 1 804 . 1 1 61 61 GLN HG2 H 1 2.550 0.005 . 2 . . . . 243 GLN HG2 . 27243 1 805 . 1 1 61 61 GLN HG3 H 1 2.395 0.005 . 2 . . . . 243 GLN HG3 . 27243 1 806 . 1 1 61 61 GLN HE21 H 1 7.401 0.001 . 1 . . . . 243 GLN HE21 . 27243 1 807 . 1 1 61 61 GLN HE22 H 1 6.815 0.000 . 1 . . . . 243 GLN HE22 . 27243 1 808 . 1 1 61 61 GLN C C 13 178.886 0.023 . 1 . . . . 243 GLN C . 27243 1 809 . 1 1 61 61 GLN CA C 13 58.962 0.021 . 1 . . . . 243 GLN CA . 27243 1 810 . 1 1 61 61 GLN CB C 13 28.684 0.033 . 1 . . . . 243 GLN CB . 27243 1 811 . 1 1 61 61 GLN CG C 13 34.132 0.031 . 1 . . . . 243 GLN CG . 27243 1 812 . 1 1 61 61 GLN N N 15 117.425 0.034 . 1 . . . . 243 GLN N . 27243 1 813 . 1 1 61 61 GLN NE2 N 15 111.710 0.023 . 1 . . . . 243 GLN NE2 . 27243 1 814 . 1 1 62 62 GLN H H 1 7.763 0.003 . 1 . . . . 244 GLN H . 27243 1 815 . 1 1 62 62 GLN HA H 1 4.143 0.006 . 1 . . . . 244 GLN HA . 27243 1 816 . 1 1 62 62 GLN HB2 H 1 2.205 0.003 . 2 . . . . 244 GLN HB2 . 27243 1 817 . 1 1 62 62 GLN HB3 H 1 1.980 0.008 . 2 . . . . 244 GLN HB3 . 27243 1 818 . 1 1 62 62 GLN HG2 H 1 2.711 0.003 . 2 . . . . 244 GLN HG2 . 27243 1 819 . 1 1 62 62 GLN HG3 H 1 2.384 0.003 . 2 . . . . 244 GLN HG3 . 27243 1 820 . 1 1 62 62 GLN HE21 H 1 7.289 0.006 . 1 . . . . 244 GLN HE21 . 27243 1 821 . 1 1 62 62 GLN HE22 H 1 7.237 0.005 . 1 . . . . 244 GLN HE22 . 27243 1 822 . 1 1 62 62 GLN C C 13 178.764 0.015 . 1 . . . . 244 GLN C . 27243 1 823 . 1 1 62 62 GLN CA C 13 59.130 0.028 . 1 . . . . 244 GLN CA . 27243 1 824 . 1 1 62 62 GLN CB C 13 29.470 0.072 . 1 . . . . 244 GLN CB . 27243 1 825 . 1 1 62 62 GLN CG C 13 35.976 0.023 . 1 . . . . 244 GLN CG . 27243 1 826 . 1 1 62 62 GLN N N 15 118.400 0.010 . 1 . . . . 244 GLN N . 27243 1 827 . 1 1 62 62 GLN NE2 N 15 111.582 0.052 . 1 . . . . 244 GLN NE2 . 27243 1 828 . 1 1 63 63 ILE H H 1 8.201 0.004 . 1 . . . . 245 ILE H . 27243 1 829 . 1 1 63 63 ILE HA H 1 3.998 0.002 . 1 . . . . 245 ILE HA . 27243 1 830 . 1 1 63 63 ILE HB H 1 1.946 0.005 . 1 . . . . 245 ILE HB . 27243 1 831 . 1 1 63 63 ILE HG12 H 1 0.974 0.004 . 2 . . . . 245 ILE HG12 . 27243 1 832 . 1 1 63 63 ILE HG13 H 1 1.425 0.003 . 2 . . . . 245 ILE HG13 . 27243 1 833 . 1 1 63 63 ILE HG21 H 1 0.823 0.005 . 1 . . . . 245 ILE HG21 . 27243 1 834 . 1 1 63 63 ILE HG22 H 1 0.823 0.005 . 1 . . . . 245 ILE HG22 . 27243 1 835 . 1 1 63 63 ILE HG23 H 1 0.823 0.005 . 1 . . . . 245 ILE HG23 . 27243 1 836 . 1 1 63 63 ILE HD11 H 1 0.261 0.002 . 1 . . . . 245 ILE HD11 . 27243 1 837 . 1 1 63 63 ILE HD12 H 1 0.261 0.002 . 1 . . . . 245 ILE HD12 . 27243 1 838 . 1 1 63 63 ILE HD13 H 1 0.261 0.002 . 1 . . . . 245 ILE HD13 . 27243 1 839 . 1 1 63 63 ILE C C 13 178.181 0.015 . 1 . . . . 245 ILE C . 27243 1 840 . 1 1 63 63 ILE CA C 13 65.082 0.030 . 1 . . . . 245 ILE CA . 27243 1 841 . 1 1 63 63 ILE CB C 13 38.358 0.018 . 1 . . . . 245 ILE CB . 27243 1 842 . 1 1 63 63 ILE CG1 C 13 27.509 0.033 . 1 . . . . 245 ILE CG1 . 27243 1 843 . 1 1 63 63 ILE CG2 C 13 17.399 0.014 . 1 . . . . 245 ILE CG2 . 27243 1 844 . 1 1 63 63 ILE CD1 C 13 13.825 0.032 . 1 . . . . 245 ILE CD1 . 27243 1 845 . 1 1 63 63 ILE N N 15 117.661 0.013 . 1 . . . . 245 ILE N . 27243 1 846 . 1 1 64 64 GLU H H 1 7.907 0.002 . 1 . . . . 246 GLU H . 27243 1 847 . 1 1 64 64 GLU HA H 1 4.133 0.001 . 1 . . . . 246 GLU HA . 27243 1 848 . 1 1 64 64 GLU HB2 H 1 2.116 0.004 . 1 . . . . 246 GLU HB2 . 27243 1 849 . 1 1 64 64 GLU HB3 H 1 2.117 0.004 . 1 . . . . 246 GLU HB3 . 27243 1 850 . 1 1 64 64 GLU HG2 H 1 2.342 0.002 . 2 . . . . 246 GLU HG2 . 27243 1 851 . 1 1 64 64 GLU HG3 H 1 2.440 0.006 . 2 . . . . 246 GLU HG3 . 27243 1 852 . 1 1 64 64 GLU C C 13 177.536 0.013 . 1 . . . . 246 GLU C . 27243 1 853 . 1 1 64 64 GLU CA C 13 58.564 0.019 . 1 . . . . 246 GLU CA . 27243 1 854 . 1 1 64 64 GLU CB C 13 29.605 0.050 . 1 . . . . 246 GLU CB . 27243 1 855 . 1 1 64 64 GLU CG C 13 36.606 0.026 . 1 . . . . 246 GLU CG . 27243 1 856 . 1 1 64 64 GLU N N 15 119.270 0.016 . 1 . . . . 246 GLU N . 27243 1 857 . 1 1 65 65 SER H H 1 7.679 0.005 . 1 . . . . 247 SER H . 27243 1 858 . 1 1 65 65 SER HA H 1 4.464 0.002 . 1 . . . . 247 SER HA . 27243 1 859 . 1 1 65 65 SER HB2 H 1 3.943 0.004 . 1 . . . . 247 SER HB2 . 27243 1 860 . 1 1 65 65 SER HB3 H 1 3.943 0.004 . 1 . . . . 247 SER HB3 . 27243 1 861 . 1 1 65 65 SER C C 13 173.830 0.003 . 1 . . . . 247 SER C . 27243 1 862 . 1 1 65 65 SER CA C 13 58.738 0.032 . 1 . . . . 247 SER CA . 27243 1 863 . 1 1 65 65 SER CB C 13 63.995 0.067 . 1 . . . . 247 SER CB . 27243 1 864 . 1 1 65 65 SER N N 15 111.863 0.018 . 1 . . . . 247 SER N . 27243 1 865 . 1 1 66 66 TYR H H 1 7.626 0.004 . 1 . . . . 248 TYR H . 27243 1 866 . 1 1 66 66 TYR HA H 1 4.714 0.004 . 1 . . . . 248 TYR HA . 27243 1 867 . 1 1 66 66 TYR HB2 H 1 3.202 0.003 . 2 . . . . 248 TYR HB2 . 27243 1 868 . 1 1 66 66 TYR HB3 H 1 3.064 0.008 . 2 . . . . 248 TYR HB3 . 27243 1 869 . 1 1 66 66 TYR HD1 H 1 7.207 0.002 . 3 . . . . 248 TYR HD1 . 27243 1 870 . 1 1 66 66 TYR HD2 H 1 7.207 0.002 . 3 . . . . 248 TYR HD2 . 27243 1 871 . 1 1 66 66 TYR HE1 H 1 6.853 0.008 . 3 . . . . 248 TYR HE1 . 27243 1 872 . 1 1 66 66 TYR HE2 H 1 6.853 0.008 . 3 . . . . 248 TYR HE2 . 27243 1 873 . 1 1 66 66 TYR C C 13 174.083 0.000 . 1 . . . . 248 TYR C . 27243 1 874 . 1 1 66 66 TYR CA C 13 57.712 0.037 . 1 . . . . 248 TYR CA . 27243 1 875 . 1 1 66 66 TYR CB C 13 38.603 0.015 . 1 . . . . 248 TYR CB . 27243 1 876 . 1 1 66 66 TYR CD1 C 13 133.817 0.058 . 3 . . . . 248 TYR CD1 . 27243 1 877 . 1 1 66 66 TYR CD2 C 13 133.817 0.058 . 3 . . . . 248 TYR CD2 . 27243 1 878 . 1 1 66 66 TYR CE1 C 13 118.304 0.096 . 3 . . . . 248 TYR CE1 . 27243 1 879 . 1 1 66 66 TYR CE2 C 13 118.304 0.096 . 3 . . . . 248 TYR CE2 . 27243 1 880 . 1 1 66 66 TYR N N 15 125.612 0.016 . 1 . . . . 248 TYR N . 27243 1 881 . 1 1 67 67 PRO HA H 1 4.508 0.003 . 1 . . . . 249 PRO HA . 27243 1 882 . 1 1 67 67 PRO HB2 H 1 2.213 0.004 . 2 . . . . 249 PRO HB2 . 27243 1 883 . 1 1 67 67 PRO HB3 H 1 1.933 0.006 . 2 . . . . 249 PRO HB3 . 27243 1 884 . 1 1 67 67 PRO HG2 H 1 1.927 0.002 . 1 . . . . 249 PRO HG2 . 27243 1 885 . 1 1 67 67 PRO HG3 H 1 1.927 0.002 . 1 . . . . 249 PRO HG3 . 27243 1 886 . 1 1 67 67 PRO HD2 H 1 3.014 0.005 . 2 . . . . 249 PRO HD2 . 27243 1 887 . 1 1 67 67 PRO HD3 H 1 3.786 0.003 . 2 . . . . 249 PRO HD3 . 27243 1 888 . 1 1 67 67 PRO C C 13 176.864 0.002 . 1 . . . . 249 PRO C . 27243 1 889 . 1 1 67 67 PRO CA C 13 63.307 0.039 . 1 . . . . 249 PRO CA . 27243 1 890 . 1 1 67 67 PRO CB C 13 31.503 0.023 . 1 . . . . 249 PRO CB . 27243 1 891 . 1 1 67 67 PRO CG C 13 27.570 0.042 . 1 . . . . 249 PRO CG . 27243 1 892 . 1 1 67 67 PRO CD C 13 50.614 0.038 . 1 . . . . 249 PRO CD . 27243 1 893 . 1 1 68 68 THR H H 1 8.204 0.002 . 1 . . . . 250 THR H . 27243 1 894 . 1 1 68 68 THR HA H 1 4.355 0.009 . 1 . . . . 250 THR HA . 27243 1 895 . 1 1 68 68 THR HB H 1 4.353 0.001 . 1 . . . . 250 THR HB . 27243 1 896 . 1 1 68 68 THR HG21 H 1 1.320 0.003 . 1 . . . . 250 THR HG21 . 27243 1 897 . 1 1 68 68 THR HG22 H 1 1.320 0.003 . 1 . . . . 250 THR HG22 . 27243 1 898 . 1 1 68 68 THR HG23 H 1 1.320 0.003 . 1 . . . . 250 THR HG23 . 27243 1 899 . 1 1 68 68 THR C C 13 174.823 0.016 . 1 . . . . 250 THR C . 27243 1 900 . 1 1 68 68 THR CA C 13 62.068 0.026 . 1 . . . . 250 THR CA . 27243 1 901 . 1 1 68 68 THR CB C 13 69.846 0.020 . 1 . . . . 250 THR CB . 27243 1 902 . 1 1 68 68 THR CG2 C 13 21.880 0.019 . 1 . . . . 250 THR CG2 . 27243 1 903 . 1 1 68 68 THR N N 15 114.175 0.008 . 1 . . . . 250 THR N . 27243 1 904 . 1 1 69 69 ASP H H 1 8.375 0.005 . 1 . . . . 251 ASP H . 27243 1 905 . 1 1 69 69 ASP HA H 1 4.648 0.003 . 1 . . . . 251 ASP HA . 27243 1 906 . 1 1 69 69 ASP HB2 H 1 2.715 0.012 . 2 . . . . 251 ASP HB2 . 27243 1 907 . 1 1 69 69 ASP HB3 H 1 2.687 0.008 . 2 . . . . 251 ASP HB3 . 27243 1 908 . 1 1 69 69 ASP C C 13 176.386 0.041 . 1 . . . . 251 ASP C . 27243 1 909 . 1 1 69 69 ASP CA C 13 54.695 0.054 . 1 . . . . 251 ASP CA . 27243 1 910 . 1 1 69 69 ASP CB C 13 41.189 0.030 . 1 . . . . 251 ASP CB . 27243 1 911 . 1 1 69 69 ASP N N 15 121.884 0.033 . 1 . . . . 251 ASP N . 27243 1 912 . 1 1 70 70 SER H H 1 8.207 0.003 . 1 . . . . 252 SER H . 27243 1 913 . 1 1 70 70 SER HA H 1 4.446 0.003 . 1 . . . . 252 SER HA . 27243 1 914 . 1 1 70 70 SER HB2 H 1 3.847 0.002 . 1 . . . . 252 SER HB2 . 27243 1 915 . 1 1 70 70 SER HB3 H 1 3.847 0.002 . 1 . . . . 252 SER HB3 . 27243 1 916 . 1 1 70 70 SER C C 13 174.431 0.014 . 1 . . . . 252 SER C . 27243 1 917 . 1 1 70 70 SER CA C 13 58.692 0.029 . 1 . . . . 252 SER CA . 27243 1 918 . 1 1 70 70 SER CB C 13 63.875 0.026 . 1 . . . . 252 SER CB . 27243 1 919 . 1 1 70 70 SER N N 15 115.615 0.027 . 1 . . . . 252 SER N . 27243 1 920 . 1 1 71 71 ILE H H 1 8.073 0.005 . 1 . . . . 253 ILE H . 27243 1 921 . 1 1 71 71 ILE HA H 1 4.196 0.008 . 1 . . . . 253 ILE HA . 27243 1 922 . 1 1 71 71 ILE HB H 1 1.932 0.003 . 1 . . . . 253 ILE HB . 27243 1 923 . 1 1 71 71 ILE HG12 H 1 1.209 0.009 . 2 . . . . 253 ILE HG12 . 27243 1 924 . 1 1 71 71 ILE HG13 H 1 1.492 0.006 . 2 . . . . 253 ILE HG13 . 27243 1 925 . 1 1 71 71 ILE HG21 H 1 0.923 0.005 . 1 . . . . 253 ILE HG21 . 27243 1 926 . 1 1 71 71 ILE HG22 H 1 0.923 0.005 . 1 . . . . 253 ILE HG22 . 27243 1 927 . 1 1 71 71 ILE HG23 H 1 0.923 0.005 . 1 . . . . 253 ILE HG23 . 27243 1 928 . 1 1 71 71 ILE HD11 H 1 0.892 0.004 . 1 . . . . 253 ILE HD11 . 27243 1 929 . 1 1 71 71 ILE HD12 H 1 0.892 0.004 . 1 . . . . 253 ILE HD12 . 27243 1 930 . 1 1 71 71 ILE HD13 H 1 0.892 0.004 . 1 . . . . 253 ILE HD13 . 27243 1 931 . 1 1 71 71 ILE C C 13 176.203 0.013 . 1 . . . . 253 ILE C . 27243 1 932 . 1 1 71 71 ILE CA C 13 61.324 0.131 . 1 . . . . 253 ILE CA . 27243 1 933 . 1 1 71 71 ILE CB C 13 38.584 0.033 . 1 . . . . 253 ILE CB . 27243 1 934 . 1 1 71 71 ILE CG1 C 13 27.385 0.045 . 1 . . . . 253 ILE CG1 . 27243 1 935 . 1 1 71 71 ILE CG2 C 13 17.626 0.020 . 1 . . . . 253 ILE CG2 . 27243 1 936 . 1 1 71 71 ILE CD1 C 13 13.145 0.016 . 1 . . . . 253 ILE CD1 . 27243 1 937 . 1 1 71 71 ILE N N 15 122.234 0.017 . 1 . . . . 253 ILE N . 27243 1 938 . 1 1 72 72 LEU H H 1 8.255 0.004 . 1 . . . . 254 LEU H . 27243 1 939 . 1 1 72 72 LEU HA H 1 4.381 0.003 . 1 . . . . 254 LEU HA . 27243 1 940 . 1 1 72 72 LEU HB2 H 1 1.602 0.002 . 2 . . . . 254 LEU HB2 . 27243 1 941 . 1 1 72 72 LEU HB3 H 1 1.669 0.005 . 2 . . . . 254 LEU HB3 . 27243 1 942 . 1 1 72 72 LEU HG H 1 1.646 0.000 . 1 . . . . 254 LEU HG . 27243 1 943 . 1 1 72 72 LEU HD11 H 1 0.891 0.005 . 2 . . . . 254 LEU HD11 . 27243 1 944 . 1 1 72 72 LEU HD12 H 1 0.891 0.005 . 2 . . . . 254 LEU HD12 . 27243 1 945 . 1 1 72 72 LEU HD13 H 1 0.891 0.005 . 2 . . . . 254 LEU HD13 . 27243 1 946 . 1 1 72 72 LEU HD21 H 1 0.949 0.000 . 2 . . . . 254 LEU HD21 . 27243 1 947 . 1 1 72 72 LEU HD22 H 1 0.949 0.000 . 2 . . . . 254 LEU HD22 . 27243 1 948 . 1 1 72 72 LEU HD23 H 1 0.949 0.000 . 2 . . . . 254 LEU HD23 . 27243 1 949 . 1 1 72 72 LEU C C 13 177.348 0.003 . 1 . . . . 254 LEU C . 27243 1 950 . 1 1 72 72 LEU CA C 13 55.157 0.023 . 1 . . . . 254 LEU CA . 27243 1 951 . 1 1 72 72 LEU CB C 13 42.371 0.014 . 1 . . . . 254 LEU CB . 27243 1 952 . 1 1 72 72 LEU CG C 13 27.007 0.000 . 1 . . . . 254 LEU CG . 27243 1 953 . 1 1 72 72 LEU CD1 C 13 23.488 0.042 . 2 . . . . 254 LEU CD1 . 27243 1 954 . 1 1 72 72 LEU CD2 C 13 24.966 0.000 . 2 . . . . 254 LEU CD2 . 27243 1 955 . 1 1 72 72 LEU N N 15 125.822 0.043 . 1 . . . . 254 LEU N . 27243 1 956 . 1 1 73 73 GLU H H 1 8.366 0.002 . 1 . . . . 255 GLU H . 27243 1 957 . 1 1 73 73 GLU HA H 1 4.276 0.002 . 1 . . . . 255 GLU HA . 27243 1 958 . 1 1 73 73 GLU HB2 H 1 1.961 0.002 . 2 . . . . 255 GLU HB2 . 27243 1 959 . 1 1 73 73 GLU HB3 H 1 2.057 0.004 . 2 . . . . 255 GLU HB3 . 27243 1 960 . 1 1 73 73 GLU HG2 H 1 2.283 0.000 . 2 . . . . 255 GLU HG2 . 27243 1 961 . 1 1 73 73 GLU HG3 H 1 2.253 0.000 . 2 . . . . 255 GLU HG3 . 27243 1 962 . 1 1 73 73 GLU C C 13 176.190 0.019 . 1 . . . . 255 GLU C . 27243 1 963 . 1 1 73 73 GLU CA C 13 56.663 0.092 . 1 . . . . 255 GLU CA . 27243 1 964 . 1 1 73 73 GLU CB C 13 30.461 0.039 . 1 . . . . 255 GLU CB . 27243 1 965 . 1 1 73 73 GLU CG C 13 36.374 0.003 . 1 . . . . 255 GLU CG . 27243 1 966 . 1 1 73 73 GLU N N 15 121.907 0.025 . 1 . . . . 255 GLU N . 27243 1 967 . 1 1 74 74 ASP H H 1 8.387 0.002 . 1 . . . . 256 ASP H . 27243 1 968 . 1 1 74 74 ASP HA H 1 4.594 0.003 . 1 . . . . 256 ASP HA . 27243 1 969 . 1 1 74 74 ASP HB2 H 1 2.682 0.001 . 2 . . . . 256 ASP HB2 . 27243 1 970 . 1 1 74 74 ASP HB3 H 1 2.743 0.003 . 2 . . . . 256 ASP HB3 . 27243 1 971 . 1 1 74 74 ASP C C 13 176.430 0.020 . 1 . . . . 256 ASP C . 27243 1 972 . 1 1 74 74 ASP CA C 13 54.547 0.014 . 1 . . . . 256 ASP CA . 27243 1 973 . 1 1 74 74 ASP CB C 13 41.197 0.072 . 1 . . . . 256 ASP CB . 27243 1 974 . 1 1 74 74 ASP N N 15 121.439 0.029 . 1 . . . . 256 ASP N . 27243 1 975 . 1 1 75 75 GLN H H 1 8.441 0.003 . 1 . . . . 257 GLN H . 27243 1 976 . 1 1 75 75 GLN HA H 1 4.405 0.005 . 1 . . . . 257 GLN HA . 27243 1 977 . 1 1 75 75 GLN HB2 H 1 1.998 0.000 . 2 . . . . 257 GLN HB2 . 27243 1 978 . 1 1 75 75 GLN HB3 H 1 2.236 0.006 . 2 . . . . 257 GLN HB3 . 27243 1 979 . 1 1 75 75 GLN HG2 H 1 2.389 0.005 . 1 . . . . 257 GLN HG2 . 27243 1 980 . 1 1 75 75 GLN HG3 H 1 2.389 0.005 . 1 . . . . 257 GLN HG3 . 27243 1 981 . 1 1 75 75 GLN HE21 H 1 7.576 0.000 . 1 . . . . 257 GLN HE21 . 27243 1 982 . 1 1 75 75 GLN HE22 H 1 6.863 0.000 . 1 . . . . 257 GLN HE22 . 27243 1 983 . 1 1 75 75 GLN C C 13 176.384 0.012 . 1 . . . . 257 GLN C . 27243 1 984 . 1 1 75 75 GLN CA C 13 55.844 0.011 . 1 . . . . 257 GLN CA . 27243 1 985 . 1 1 75 75 GLN CB C 13 29.151 0.032 . 1 . . . . 257 GLN CB . 27243 1 986 . 1 1 75 75 GLN CG C 13 33.923 0.045 . 1 . . . . 257 GLN CG . 27243 1 987 . 1 1 75 75 GLN N N 15 121.279 0.018 . 1 . . . . 257 GLN N . 27243 1 988 . 1 1 75 75 GLN NE2 N 15 112.747 0.000 . 1 . . . . 257 GLN NE2 . 27243 1 989 . 1 1 76 76 SER H H 1 8.412 0.004 . 1 . . . . 258 SER H . 27243 1 990 . 1 1 76 76 SER HA H 1 4.382 0.003 . 1 . . . . 258 SER HA . 27243 1 991 . 1 1 76 76 SER HB2 H 1 3.942 0.005 . 2 . . . . 258 SER HB2 . 27243 1 992 . 1 1 76 76 SER HB3 H 1 3.898 0.002 . 2 . . . . 258 SER HB3 . 27243 1 993 . 1 1 76 76 SER C C 13 174.557 0.004 . 1 . . . . 258 SER C . 27243 1 994 . 1 1 76 76 SER CA C 13 59.250 0.017 . 1 . . . . 258 SER CA . 27243 1 995 . 1 1 76 76 SER CB C 13 63.890 0.025 . 1 . . . . 258 SER CB . 27243 1 996 . 1 1 76 76 SER N N 15 116.867 0.013 . 1 . . . . 258 SER N . 27243 1 997 . 1 1 77 77 ASP H H 1 8.410 0.002 . 1 . . . . 259 ASP H . 27243 1 998 . 1 1 77 77 ASP HA H 1 4.612 0.005 . 1 . . . . 259 ASP HA . 27243 1 999 . 1 1 77 77 ASP HB2 H 1 2.746 0.006 . 2 . . . . 259 ASP HB2 . 27243 1 1000 . 1 1 77 77 ASP HB3 H 1 2.688 0.002 . 2 . . . . 259 ASP HB3 . 27243 1 1001 . 1 1 77 77 ASP C C 13 176.322 0.012 . 1 . . . . 259 ASP C . 27243 1 1002 . 1 1 77 77 ASP CA C 13 54.545 0.019 . 1 . . . . 259 ASP CA . 27243 1 1003 . 1 1 77 77 ASP CB C 13 41.012 0.019 . 1 . . . . 259 ASP CB . 27243 1 1004 . 1 1 77 77 ASP N N 15 122.060 0.025 . 1 . . . . 259 ASP N . 27243 1 1005 . 1 1 78 78 GLN H H 1 8.257 0.002 . 1 . . . . 260 GLN H . 27243 1 1006 . 1 1 78 78 GLN HA H 1 4.310 0.002 . 1 . . . . 260 GLN HA . 27243 1 1007 . 1 1 78 78 GLN HB2 H 1 1.982 0.006 . 2 . . . . 260 GLN HB2 . 27243 1 1008 . 1 1 78 78 GLN HB3 H 1 2.182 0.003 . 2 . . . . 260 GLN HB3 . 27243 1 1009 . 1 1 78 78 GLN HG2 H 1 2.378 0.006 . 1 . . . . 260 GLN HG2 . 27243 1 1010 . 1 1 78 78 GLN HG3 H 1 2.378 0.006 . 1 . . . . 260 GLN HG3 . 27243 1 1011 . 1 1 78 78 GLN HE21 H 1 6.857 0.000 . 1 . . . . 260 GLN HE21 . 27243 1 1012 . 1 1 78 78 GLN HE22 H 1 7.560 0.000 . 1 . . . . 260 GLN HE22 . 27243 1 1013 . 1 1 78 78 GLN C C 13 175.946 0.006 . 1 . . . . 260 GLN C . 27243 1 1014 . 1 1 78 78 GLN CA C 13 55.899 0.010 . 1 . . . . 260 GLN CA . 27243 1 1015 . 1 1 78 78 GLN CB C 13 29.217 0.068 . 1 . . . . 260 GLN CB . 27243 1 1016 . 1 1 78 78 GLN CG C 13 33.889 0.019 . 1 . . . . 260 GLN CG . 27243 1 1017 . 1 1 78 78 GLN N N 15 120.289 0.017 . 1 . . . . 260 GLN N . 27243 1 1018 . 1 1 78 78 GLN NE2 N 15 112.866 0.000 . 1 . . . . 260 GLN NE2 . 27243 1 1019 . 1 1 79 79 ARG H H 1 8.224 0.002 . 1 . . . . 261 ARG H . 27243 1 1020 . 1 1 79 79 ARG HA H 1 4.324 0.005 . 1 . . . . 261 ARG HA . 27243 1 1021 . 1 1 79 79 ARG HB2 H 1 1.829 0.006 . 2 . . . . 261 ARG HB2 . 27243 1 1022 . 1 1 79 79 ARG HB3 H 1 1.827 0.006 . 2 . . . . 261 ARG HB3 . 27243 1 1023 . 1 1 79 79 ARG HG2 H 1 1.644 0.000 . 2 . . . . 261 ARG HG2 . 27243 1 1024 . 1 1 79 79 ARG HG3 H 1 1.619 0.000 . 2 . . . . 261 ARG HG3 . 27243 1 1025 . 1 1 79 79 ARG HD2 H 1 3.222 0.000 . 1 . . . . 261 ARG HD2 . 27243 1 1026 . 1 1 79 79 ARG HD3 H 1 3.222 0.000 . 1 . . . . 261 ARG HD3 . 27243 1 1027 . 1 1 79 79 ARG C C 13 176.067 0.016 . 1 . . . . 261 ARG C . 27243 1 1028 . 1 1 79 79 ARG CA C 13 56.352 0.015 . 1 . . . . 261 ARG CA . 27243 1 1029 . 1 1 79 79 ARG CB C 13 30.781 0.053 . 1 . . . . 261 ARG CB . 27243 1 1030 . 1 1 79 79 ARG CG C 13 27.078 0.002 . 1 . . . . 261 ARG CG . 27243 1 1031 . 1 1 79 79 ARG CD C 13 43.441 0.000 . 1 . . . . 261 ARG CD . 27243 1 1032 . 1 1 79 79 ARG N N 15 121.560 0.011 . 1 . . . . 261 ARG N . 27243 1 1033 . 1 1 80 80 VAL H H 1 8.148 0.001 . 1 . . . . 262 VAL H . 27243 1 1034 . 1 1 80 80 VAL HA H 1 4.102 0.006 . 1 . . . . 262 VAL HA . 27243 1 1035 . 1 1 80 80 VAL HB H 1 2.045 0.005 . 1 . . . . 262 VAL HB . 27243 1 1036 . 1 1 80 80 VAL HG11 H 1 0.907 0.001 . 2 . . . . 262 VAL HG11 . 27243 1 1037 . 1 1 80 80 VAL HG12 H 1 0.907 0.001 . 2 . . . . 262 VAL HG12 . 27243 1 1038 . 1 1 80 80 VAL HG13 H 1 0.907 0.001 . 2 . . . . 262 VAL HG13 . 27243 1 1039 . 1 1 80 80 VAL HG21 H 1 0.936 0.020 . 2 . . . . 262 VAL HG21 . 27243 1 1040 . 1 1 80 80 VAL HG22 H 1 0.936 0.020 . 2 . . . . 262 VAL HG22 . 27243 1 1041 . 1 1 80 80 VAL HG23 H 1 0.936 0.020 . 2 . . . . 262 VAL HG23 . 27243 1 1042 . 1 1 80 80 VAL C C 13 175.693 0.002 . 1 . . . . 262 VAL C . 27243 1 1043 . 1 1 80 80 VAL CA C 13 62.458 0.026 . 1 . . . . 262 VAL CA . 27243 1 1044 . 1 1 80 80 VAL CB C 13 32.762 0.017 . 1 . . . . 262 VAL CB . 27243 1 1045 . 1 1 80 80 VAL CG1 C 13 21.232 0.059 . 2 . . . . 262 VAL CG1 . 27243 1 1046 . 1 1 80 80 VAL CG2 C 13 20.790 0.006 . 2 . . . . 262 VAL CG2 . 27243 1 1047 . 1 1 80 80 VAL N N 15 121.694 0.020 . 1 . . . . 262 VAL N . 27243 1 1048 . 1 1 81 81 ILE H H 1 8.293 0.002 . 1 . . . . 263 ILE H . 27243 1 1049 . 1 1 81 81 ILE HA H 1 4.192 0.010 . 1 . . . . 263 ILE HA . 27243 1 1050 . 1 1 81 81 ILE HB H 1 1.836 0.006 . 1 . . . . 263 ILE HB . 27243 1 1051 . 1 1 81 81 ILE HG12 H 1 1.190 0.006 . 2 . . . . 263 ILE HG12 . 27243 1 1052 . 1 1 81 81 ILE HG13 H 1 1.489 0.000 . 2 . . . . 263 ILE HG13 . 27243 1 1053 . 1 1 81 81 ILE HG21 H 1 0.868 0.000 . 1 . . . . 263 ILE HG21 . 27243 1 1054 . 1 1 81 81 ILE HG22 H 1 0.868 0.000 . 1 . . . . 263 ILE HG22 . 27243 1 1055 . 1 1 81 81 ILE HG23 H 1 0.868 0.000 . 1 . . . . 263 ILE HG23 . 27243 1 1056 . 1 1 81 81 ILE HD11 H 1 0.854 0.004 . 1 . . . . 263 ILE HD11 . 27243 1 1057 . 1 1 81 81 ILE HD12 H 1 0.854 0.004 . 1 . . . . 263 ILE HD12 . 27243 1 1058 . 1 1 81 81 ILE HD13 H 1 0.854 0.004 . 1 . . . . 263 ILE HD13 . 27243 1 1059 . 1 1 81 81 ILE C C 13 175.767 0.008 . 1 . . . . 263 ILE C . 27243 1 1060 . 1 1 81 81 ILE CA C 13 60.754 0.003 . 1 . . . . 263 ILE CA . 27243 1 1061 . 1 1 81 81 ILE CB C 13 38.632 0.017 . 1 . . . . 263 ILE CB . 27243 1 1062 . 1 1 81 81 ILE CG1 C 13 27.288 0.012 . 1 . . . . 263 ILE CG1 . 27243 1 1063 . 1 1 81 81 ILE CG2 C 13 17.432 0.019 . 1 . . . . 263 ILE CG2 . 27243 1 1064 . 1 1 81 81 ILE CD1 C 13 12.545 0.016 . 1 . . . . 263 ILE CD1 . 27243 1 1065 . 1 1 81 81 ILE N N 15 126.194 0.015 . 1 . . . . 263 ILE N . 27243 1 1066 . 1 1 82 82 ILE H H 1 8.343 0.001 . 1 . . . . 264 ILE H . 27243 1 1067 . 1 1 82 82 ILE HA H 1 4.182 0.000 . 1 . . . . 264 ILE HA . 27243 1 1068 . 1 1 82 82 ILE HB H 1 1.876 0.002 . 1 . . . . 264 ILE HB . 27243 1 1069 . 1 1 82 82 ILE HG12 H 1 1.197 0.000 . 2 . . . . 264 ILE HG12 . 27243 1 1070 . 1 1 82 82 ILE HG13 H 1 1.493 0.000 . 2 . . . . 264 ILE HG13 . 27243 1 1071 . 1 1 82 82 ILE HG21 H 1 0.919 0.000 . 1 . . . . 264 ILE HG21 . 27243 1 1072 . 1 1 82 82 ILE HG22 H 1 0.919 0.000 . 1 . . . . 264 ILE HG22 . 27243 1 1073 . 1 1 82 82 ILE HG23 H 1 0.919 0.000 . 1 . . . . 264 ILE HG23 . 27243 1 1074 . 1 1 82 82 ILE HD11 H 1 0.859 0.000 . 1 . . . . 264 ILE HD11 . 27243 1 1075 . 1 1 82 82 ILE HD12 H 1 0.859 0.000 . 1 . . . . 264 ILE HD12 . 27243 1 1076 . 1 1 82 82 ILE HD13 H 1 0.859 0.000 . 1 . . . . 264 ILE HD13 . 27243 1 1077 . 1 1 82 82 ILE C C 13 175.099 0.007 . 1 . . . . 264 ILE C . 27243 1 1078 . 1 1 82 82 ILE CA C 13 60.956 0.027 . 1 . . . . 264 ILE CA . 27243 1 1079 . 1 1 82 82 ILE CB C 13 38.453 0.050 . 1 . . . . 264 ILE CB . 27243 1 1080 . 1 1 82 82 ILE CG1 C 13 27.295 0.006 . 1 . . . . 264 ILE CG1 . 27243 1 1081 . 1 1 82 82 ILE CG2 C 13 17.462 0.000 . 1 . . . . 264 ILE CG2 . 27243 1 1082 . 1 1 82 82 ILE CD1 C 13 12.521 0.000 . 1 . . . . 264 ILE CD1 . 27243 1 1083 . 1 1 82 82 ILE N N 15 127.383 0.017 . 1 . . . . 264 ILE N . 27243 1 1084 . 1 1 83 83 LYS H H 1 7.986 0.001 . 1 . . . . 265 LYS H . 27243 1 1085 . 1 1 83 83 LYS HA H 1 4.186 0.000 . 1 . . . . 265 LYS HA . 27243 1 1086 . 1 1 83 83 LYS HB2 H 1 1.720 0.000 . 2 . . . . 265 LYS HB2 . 27243 1 1087 . 1 1 83 83 LYS HB3 H 1 1.808 0.000 . 2 . . . . 265 LYS HB3 . 27243 1 1088 . 1 1 83 83 LYS HG2 H 1 1.391 0.000 . 1 . . . . 265 LYS HG2 . 27243 1 1089 . 1 1 83 83 LYS HG3 H 1 1.391 0.000 . 1 . . . . 265 LYS HG3 . 27243 1 1090 . 1 1 83 83 LYS HD2 H 1 1.684 0.000 . 1 . . . . 265 LYS HD2 . 27243 1 1091 . 1 1 83 83 LYS HD3 H 1 1.684 0.000 . 1 . . . . 265 LYS HD3 . 27243 1 1092 . 1 1 83 83 LYS HE2 H 1 3.000 0.000 . 1 . . . . 265 LYS HE2 . 27243 1 1093 . 1 1 83 83 LYS HE3 H 1 3.000 0.000 . 1 . . . . 265 LYS HE3 . 27243 1 1094 . 1 1 83 83 LYS C C 13 180.988 0.000 . 1 . . . . 265 LYS C . 27243 1 1095 . 1 1 83 83 LYS CA C 13 57.739 0.010 . 1 . . . . 265 LYS CA . 27243 1 1096 . 1 1 83 83 LYS CB C 13 33.943 0.023 . 1 . . . . 265 LYS CB . 27243 1 1097 . 1 1 83 83 LYS CG C 13 24.755 0.000 . 1 . . . . 265 LYS CG . 27243 1 1098 . 1 1 83 83 LYS CD C 13 29.205 0.000 . 1 . . . . 265 LYS CD . 27243 1 1099 . 1 1 83 83 LYS CE C 13 42.227 0.000 . 1 . . . . 265 LYS CE . 27243 1 1100 . 1 1 83 83 LYS N N 15 131.476 0.013 . 1 . . . . 265 LYS N . 27243 1 stop_ save_