data_34120 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34120 _Entry.Title ; Solution structure of the C-terminal domain of S. aureus Hibernating Promoting Factor (CTD-SaHPF) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-31 _Entry.Accession_date 2017-03-31 _Entry.Last_release_date 2017-04-03 _Entry.Original_release_date 2017-04-03 _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 . _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 K. Usachev K. S. . . 34120 2 I. Khusainov I. S. . . 34120 3 R. Ayupov R. K. . . 34120 4 S. Validov S. Z. . . 34120 5 B. Kieffer B. . . . 34120 6 M. Yusupov M. M. . . 34120 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HPF . 34120 'Hibernating Promoting Factor' . 34120 Hibernation . 34120 Pathogen . 34120 Ribosome . 34120 'Staphylococcus aureus' . 34120 'ribosomal protein' . 34120 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34120 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 516 34120 '15N chemical shifts' 120 34120 '1H chemical shifts' 760 34120 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-10-17 2017-03-31 update BMRB 'update entry citation' 34120 1 . . 2017-06-30 2017-03-31 original author 'original release' 34120 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5NKO 'BMRB Entry Tracking System' 34120 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34120 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28645916 _Citation.Full_citation . _Citation.Title ; Structures and dynamics of hibernating ribosomes from Staphylococcus aureus mediated by intermolecular interactions of HPF ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 36 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1460-2075 _Citation.Journal_CSD 0353 _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 2073 _Citation.Page_last 2087 _Citation.Year 2017 _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 Iskander Khusainov I. . . . 34120 1 2 Quentin Vicens Q. . . . 34120 1 3 Rustam Ayupov R. . . . 34120 1 4 Konstantin Usachev K. . . . 34120 1 5 Alexander Myasnikov A. . . . 34120 1 6 Angelita Simonetti A. . . . 34120 1 7 Shamil Validov S. . . . 34120 1 8 Bruno Kieffer B. . . . 34120 1 9 Gulnara Yusupova G. . . . 34120 1 10 Marat Yusupov M. . . . 34120 1 11 Yaser Hashem Y. . . . 34120 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34120 _Assembly.ID 1 _Assembly.Name 'Ribosome hibernation promotion factor' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'entity_1, 1' 1 $entity_1 A A yes . . . . . . 34120 1 2 'entity_1, 2' 1 $entity_1 B B yes . . . . . . 34120 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34120 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MIEIIRSKEFSLKPMDSEEA VLQMNLLGHDFFVFTDRETD GTSIVYRRKDGKYGLIQTSE Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 61 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'C-terminal domain, UNP residues 131-190' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7124.070 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID HPF na 34120 1 'Hibernation promoting factor SaHPF' na 34120 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 1 130 MET . 34120 1 2 131 ILE . 34120 1 3 132 GLU . 34120 1 4 133 ILE . 34120 1 5 134 ILE . 34120 1 6 135 ARG . 34120 1 7 136 SER . 34120 1 8 137 LYS . 34120 1 9 138 GLU . 34120 1 10 139 PHE . 34120 1 11 140 SER . 34120 1 12 141 LEU . 34120 1 13 142 LYS . 34120 1 14 143 PRO . 34120 1 15 144 MET . 34120 1 16 145 ASP . 34120 1 17 146 SER . 34120 1 18 147 GLU . 34120 1 19 148 GLU . 34120 1 20 149 ALA . 34120 1 21 150 VAL . 34120 1 22 151 LEU . 34120 1 23 152 GLN . 34120 1 24 153 MET . 34120 1 25 154 ASN . 34120 1 26 155 LEU . 34120 1 27 156 LEU . 34120 1 28 157 GLY . 34120 1 29 158 HIS . 34120 1 30 159 ASP . 34120 1 31 160 PHE . 34120 1 32 161 PHE . 34120 1 33 162 VAL . 34120 1 34 163 PHE . 34120 1 35 164 THR . 34120 1 36 165 ASP . 34120 1 37 166 ARG . 34120 1 38 167 GLU . 34120 1 39 168 THR . 34120 1 40 169 ASP . 34120 1 41 170 GLY . 34120 1 42 171 THR . 34120 1 43 172 SER . 34120 1 44 173 ILE . 34120 1 45 174 VAL . 34120 1 46 175 TYR . 34120 1 47 176 ARG . 34120 1 48 177 ARG . 34120 1 49 178 LYS . 34120 1 50 179 ASP . 34120 1 51 180 GLY . 34120 1 52 181 LYS . 34120 1 53 182 TYR . 34120 1 54 183 GLY . 34120 1 55 184 LEU . 34120 1 56 185 ILE . 34120 1 57 186 GLN . 34120 1 58 187 THR . 34120 1 59 188 SER . 34120 1 60 189 GLU . 34120 1 61 190 GLN . 34120 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34120 1 . ILE 2 2 34120 1 . GLU 3 3 34120 1 . ILE 4 4 34120 1 . ILE 5 5 34120 1 . ARG 6 6 34120 1 . SER 7 7 34120 1 . LYS 8 8 34120 1 . GLU 9 9 34120 1 . PHE 10 10 34120 1 . SER 11 11 34120 1 . LEU 12 12 34120 1 . LYS 13 13 34120 1 . PRO 14 14 34120 1 . MET 15 15 34120 1 . ASP 16 16 34120 1 . SER 17 17 34120 1 . GLU 18 18 34120 1 . GLU 19 19 34120 1 . ALA 20 20 34120 1 . VAL 21 21 34120 1 . LEU 22 22 34120 1 . GLN 23 23 34120 1 . MET 24 24 34120 1 . ASN 25 25 34120 1 . LEU 26 26 34120 1 . LEU 27 27 34120 1 . GLY 28 28 34120 1 . HIS 29 29 34120 1 . ASP 30 30 34120 1 . PHE 31 31 34120 1 . PHE 32 32 34120 1 . VAL 33 33 34120 1 . PHE 34 34 34120 1 . THR 35 35 34120 1 . ASP 36 36 34120 1 . ARG 37 37 34120 1 . GLU 38 38 34120 1 . THR 39 39 34120 1 . ASP 40 40 34120 1 . GLY 41 41 34120 1 . THR 42 42 34120 1 . SER 43 43 34120 1 . ILE 44 44 34120 1 . VAL 45 45 34120 1 . TYR 46 46 34120 1 . ARG 47 47 34120 1 . ARG 48 48 34120 1 . LYS 49 49 34120 1 . ASP 50 50 34120 1 . GLY 51 51 34120 1 . LYS 52 52 34120 1 . TYR 53 53 34120 1 . GLY 54 54 34120 1 . LEU 55 55 34120 1 . ILE 56 56 34120 1 . GLN 57 57 34120 1 . THR 58 58 34120 1 . SER 59 59 34120 1 . GLU 60 60 34120 1 . GLN 61 61 34120 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 34120 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 93061 organism . 'Staphylococcus aureus (strain NCTC 8325)' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus 'NCTC 8325' SaHPF . . . . . . . . . 'hpf, SAOUHSC_00767' . 34120 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 34120 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . star . . . . pGS21A . . . 34120 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34120 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2.0 mM [U-99% 13C; U-99% 15N] C-terminal domain of SaHPF, 50 mM potassium phosphate, 250 mM NH4Cl, 90% H2O/10% D2O. ; _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 'C-terminal domain of SaHPF' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 2.0 . . mM . . . . 34120 1 2 NH4Cl 'natural abundance' . . . . . . 250 . . mM . . . . 34120 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 34120 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 34120 _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' 250 . mM 34120 1 pH 7.6 . pH 34120 1 pressure 1 . bar 34120 1 temperature 308 . K 34120 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34120 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34120 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34120 1 'peak picking' 34120 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34120 _Software.ID 2 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 34120 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 34120 2 'structure calculation' 34120 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34120 _Software.ID 3 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . 34120 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34120 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34120 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34120 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34120 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34120 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34120 _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 NMR_spectrometer_1 Bruker AvanceIII . 700 . . . 34120 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 34120 _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 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34120 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34120 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34120 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34120 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34120 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34120 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34120 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34120 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-13C NOESY aliphatic' . . . 34120 1 2 '3D 1H-13C NOESY aromatic' . . . 34120 1 3 '3D 1H-15N NOESY' . . . 34120 1 4 '2D 1H-1H NOESY' . . . 34120 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 2 2 ILE HA H 1 4.277 0.006 . 1 . 919 . A 131 ILE HA . 34120 1 2 . 1 1 2 2 ILE HB H 1 1.784 0.003 . 1 . 823 . A 131 ILE HB . 34120 1 3 . 1 1 2 2 ILE HG12 H 1 1.471 0.005 . 2 . 1153 . A 131 ILE HG12 . 34120 1 4 . 1 1 2 2 ILE HG13 H 1 1.071 0.011 . 2 . 1154 . A 131 ILE HG13 . 34120 1 5 . 1 1 2 2 ILE HG21 H 1 0.775 0.007 . 1 . 1151 . A 131 ILE HG21 . 34120 1 6 . 1 1 2 2 ILE HG22 H 1 0.775 0.007 . 1 . 1151 . A 131 ILE HG22 . 34120 1 7 . 1 1 2 2 ILE HG23 H 1 0.775 0.007 . 1 . 1151 . A 131 ILE HG23 . 34120 1 8 . 1 1 2 2 ILE HD11 H 1 0.692 0.01 . 1 . 1152 . A 131 ILE HD11 . 34120 1 9 . 1 1 2 2 ILE HD12 H 1 0.692 0.01 . 1 . 1152 . A 131 ILE HD12 . 34120 1 10 . 1 1 2 2 ILE HD13 H 1 0.692 0.01 . 1 . 1152 . A 131 ILE HD13 . 34120 1 11 . 1 1 2 2 ILE C C 13 174.775 . . 1 . 1155 . A 131 ILE C . 34120 1 12 . 1 1 2 2 ILE CA C 13 61.115 0.096 . 1 . 132 . A 131 ILE CA . 34120 1 13 . 1 1 2 2 ILE CB C 13 39.171 0.082 . 1 . 131 . A 131 ILE CB . 34120 1 14 . 1 1 2 2 ILE CG1 C 13 27.173 0.017 . 1 . 762 . A 131 ILE CG1 . 34120 1 15 . 1 1 2 2 ILE CG2 C 13 17.843 0.032 . 1 . 761 . A 131 ILE CG2 . 34120 1 16 . 1 1 2 2 ILE CD1 C 13 13.154 0.043 . 1 . 1150 . A 131 ILE CD1 . 34120 1 17 . 1 1 3 3 GLU H H 1 8.594 0.011 . 1 . 5 . A 132 GLU H . 34120 1 18 . 1 1 3 3 GLU HA H 1 4.468 0.005 . 1 . 920 . A 132 GLU HA . 34120 1 19 . 1 1 3 3 GLU HB2 H 1 1.979 0.011 . 1 . 825 . A 132 GLU HB2 . 34120 1 20 . 1 1 3 3 GLU C C 13 174.233 0.0 . 1 . 298 . A 132 GLU C . 34120 1 21 . 1 1 3 3 GLU CA C 13 56.258 0.095 . 1 . 234 . A 132 GLU CA . 34120 1 22 . 1 1 3 3 GLU CB C 13 31.275 0.036 . 1 . 235 . A 132 GLU CB . 34120 1 23 . 1 1 3 3 GLU CG C 13 37.060 . . 1 . 760 . A 132 GLU CG . 34120 1 24 . 1 1 3 3 GLU N N 15 127.799 0.017 . 1 . 6 . A 132 GLU N . 34120 1 25 . 1 1 4 4 ILE H H 1 8.287 0.007 . 1 . 80 . A 133 ILE H . 34120 1 26 . 1 1 4 4 ILE HA H 1 4.672 0.028 . 1 . 826 . A 133 ILE HA . 34120 1 27 . 1 1 4 4 ILE HB H 1 1.673 0.016 . 1 . 827 . A 133 ILE HB . 34120 1 28 . 1 1 4 4 ILE HG12 H 1 2.214 0.012 . 2 . 921 . A 133 ILE HG12 . 34120 1 29 . 1 1 4 4 ILE HG13 H 1 1.939 0.003 . 2 . 922 . A 133 ILE HG13 . 34120 1 30 . 1 1 4 4 ILE HG21 H 1 0.676 0.011 . 1 . 923 . A 133 ILE HG21 . 34120 1 31 . 1 1 4 4 ILE HG22 H 1 0.676 0.011 . 1 . 923 . A 133 ILE HG22 . 34120 1 32 . 1 1 4 4 ILE HG23 H 1 0.676 0.011 . 1 . 923 . A 133 ILE HG23 . 34120 1 33 . 1 1 4 4 ILE C C 13 175.600 0.0 . 1 . 296 . A 133 ILE C . 34120 1 34 . 1 1 4 4 ILE CA C 13 60.133 0.033 . 1 . 167 . A 133 ILE CA . 34120 1 35 . 1 1 4 4 ILE CB C 13 39.715 0.018 . 1 . 225 . A 133 ILE CB . 34120 1 36 . 1 1 4 4 ILE CG1 C 13 27.947 0.085 . 1 . 765 . A 133 ILE CG1 . 34120 1 37 . 1 1 4 4 ILE CG2 C 13 18.912 0.059 . 1 . 764 . A 133 ILE CG2 . 34120 1 38 . 1 1 4 4 ILE CD1 C 13 13.669 0.096 . 1 . 763 . A 133 ILE CD1 . 34120 1 39 . 1 1 4 4 ILE N N 15 125.464 0.029 . 1 . 81 . A 133 ILE N . 34120 1 40 . 1 1 5 5 ILE H H 1 9.240 0.008 . 1 . 68 . A 134 ILE H . 34120 1 41 . 1 1 5 5 ILE HA H 1 4.364 0.006 . 1 . 828 . A 134 ILE HA . 34120 1 42 . 1 1 5 5 ILE HB H 1 1.803 0.004 . 1 . 925 . A 134 ILE HB . 34120 1 43 . 1 1 5 5 ILE HG12 H 1 1.229 0.004 . 2 . 927 . A 134 ILE HG12 . 34120 1 44 . 1 1 5 5 ILE HG13 H 1 1.390 0.006 . 2 . 928 . A 134 ILE HG13 . 34120 1 45 . 1 1 5 5 ILE HG21 H 1 0.914 0.005 . 1 . 929 . A 134 ILE HG21 . 34120 1 46 . 1 1 5 5 ILE HG22 H 1 0.914 0.005 . 1 . 929 . A 134 ILE HG22 . 34120 1 47 . 1 1 5 5 ILE HG23 H 1 0.914 0.005 . 1 . 929 . A 134 ILE HG23 . 34120 1 48 . 1 1 5 5 ILE HD11 H 1 0.780 0.001 . 1 . 930 . A 134 ILE HD11 . 34120 1 49 . 1 1 5 5 ILE HD12 H 1 0.780 0.001 . 1 . 930 . A 134 ILE HD12 . 34120 1 50 . 1 1 5 5 ILE HD13 H 1 0.780 0.001 . 1 . 930 . A 134 ILE HD13 . 34120 1 51 . 1 1 5 5 ILE C C 13 176.297 . . 1 . 295 . A 134 ILE C . 34120 1 52 . 1 1 5 5 ILE CA C 13 59.787 0.063 . 1 . 237 . A 134 ILE CA . 34120 1 53 . 1 1 5 5 ILE CB C 13 39.366 0.07 . 1 . 924 . A 134 ILE CB . 34120 1 54 . 1 1 5 5 ILE CG1 C 13 27.462 0.014 . 1 . 926 . A 134 ILE CG1 . 34120 1 55 . 1 1 5 5 ILE CG2 C 13 17.624 0.037 . 1 . 767 . A 134 ILE CG2 . 34120 1 56 . 1 1 5 5 ILE CD1 C 13 12.698 0.053 . 1 . 766 . A 134 ILE CD1 . 34120 1 57 . 1 1 5 5 ILE N N 15 129.283 0.041 . 1 . 69 . A 134 ILE N . 34120 1 58 . 1 1 6 6 ARG H H 1 8.959 0.012 . 1 . 74 . A 135 ARG H . 34120 1 59 . 1 1 6 6 ARG HA H 1 4.718 0.018 . 1 . 829 . A 135 ARG HA . 34120 1 60 . 1 1 6 6 ARG HB2 H 1 1.890 0.0 . 2 . 940 . A 135 ARG HB2 . 34120 1 61 . 1 1 6 6 ARG HB3 H 1 1.818 0.003 . 2 . 941 . A 135 ARG HB3 . 34120 1 62 . 1 1 6 6 ARG HG2 H 1 1.612 0.001 . 2 . 935 . A 135 ARG HG2 . 34120 1 63 . 1 1 6 6 ARG HG3 H 1 1.759 0.003 . 2 . 938 . A 135 ARG HG3 . 34120 1 64 . 1 1 6 6 ARG HD2 H 1 3.242 0.005 . 1 . 939 . A 135 ARG HD2 . 34120 1 65 . 1 1 6 6 ARG C C 13 176.331 0.024 . 1 . 294 . A 135 ARG C . 34120 1 66 . 1 1 6 6 ARG CA C 13 57.073 0.104 . 1 . 236 . A 135 ARG CA . 34120 1 67 . 1 1 6 6 ARG CB C 13 30.438 0.016 . 1 . 933 . A 135 ARG CB . 34120 1 68 . 1 1 6 6 ARG CG C 13 28.511 0.014 . 1 . 934 . A 135 ARG CG . 34120 1 69 . 1 1 6 6 ARG CD C 13 43.373 0.029 . 1 . 770 . A 135 ARG CD . 34120 1 70 . 1 1 6 6 ARG N N 15 129.692 0.055 . 1 . 75 . A 135 ARG N . 34120 1 71 . 1 1 7 7 SER H H 1 8.808 0.009 . 1 . 240 . A 136 SER H . 34120 1 72 . 1 1 7 7 SER HA H 1 4.453 0.002 . 1 . 2375 . A 136 SER HA . 34120 1 73 . 1 1 7 7 SER HB2 H 1 3.996 0.007 . 1 . 1143 . A 136 SER HB2 . 34120 1 74 . 1 1 7 7 SER C C 13 174.672 . . 1 . 293 . A 136 SER C . 34120 1 75 . 1 1 7 7 SER CA C 13 57.571 0.008 . 1 . 2374 . A 136 SER CA . 34120 1 76 . 1 1 7 7 SER CB C 13 64.722 0.01 . 1 . 222 . A 136 SER CB . 34120 1 77 . 1 1 7 7 SER N N 15 119.700 0.028 . 1 . 241 . A 136 SER N . 34120 1 78 . 1 1 8 8 LYS HA H 1 4.585 0.006 . 1 . 830 . A 137 LYS HA . 34120 1 79 . 1 1 8 8 LYS HB2 H 1 1.949 0.002 . 2 . 943 . A 137 LYS HB2 . 34120 1 80 . 1 1 8 8 LYS HB3 H 1 1.752 0.002 . 2 . 944 . A 137 LYS HB3 . 34120 1 81 . 1 1 8 8 LYS HG2 H 1 1.476 0.01 . 2 . 947 . A 137 LYS HG2 . 34120 1 82 . 1 1 8 8 LYS HG3 H 1 1.451 0.009 . 2 . 949 . A 137 LYS HG3 . 34120 1 83 . 1 1 8 8 LYS HD2 H 1 1.700 0.002 . 1 . 945 . A 137 LYS HD2 . 34120 1 84 . 1 1 8 8 LYS CA C 13 56.156 0.044 . 1 . 198 . A 137 LYS CA . 34120 1 85 . 1 1 8 8 LYS CB C 13 32.999 0.023 . 1 . 942 . A 137 LYS CB . 34120 1 86 . 1 1 8 8 LYS CG C 13 24.802 0.018 . 1 . 946 . A 137 LYS CG . 34120 1 87 . 1 1 8 8 LYS CD C 13 29.226 0.02 . 1 . 773 . A 137 LYS CD . 34120 1 88 . 1 1 9 9 GLU H H 1 8.481 0.009 . 1 . 124 . A 138 GLU H . 34120 1 89 . 1 1 9 9 GLU HA H 1 4.201 0.014 . 1 . 831 . A 138 GLU HA . 34120 1 90 . 1 1 9 9 GLU HB2 H 1 1.851 0.001 . 2 . 951 . A 138 GLU HB2 . 34120 1 91 . 1 1 9 9 GLU HB3 H 1 1.923 0.012 . 2 . 953 . A 138 GLU HB3 . 34120 1 92 . 1 1 9 9 GLU HG2 H 1 2.227 0.018 . 2 . 955 . A 138 GLU HG2 . 34120 1 93 . 1 1 9 9 GLU HG3 H 1 2.191 . . 2 . 956 . A 138 GLU HG3 . 34120 1 94 . 1 1 9 9 GLU C C 13 175.384 0.0 . 1 . 292 . A 138 GLU C . 34120 1 95 . 1 1 9 9 GLU CA C 13 57.035 0.028 . 1 . 233 . A 138 GLU CA . 34120 1 96 . 1 1 9 9 GLU CB C 13 29.809 0.027 . 1 . 952 . A 138 GLU CB . 34120 1 97 . 1 1 9 9 GLU CG C 13 36.282 0.037 . 1 . 954 . A 138 GLU CG . 34120 1 98 . 1 1 9 9 GLU N N 15 120.386 0.036 . 1 . 125 . A 138 GLU N . 34120 1 99 . 1 1 10 10 PHE H H 1 7.867 0.007 . 1 . 21 . A 139 PHE H . 34120 1 100 . 1 1 10 10 PHE HA H 1 4.595 0.002 . 1 . 957 . A 139 PHE HA . 34120 1 101 . 1 1 10 10 PHE HB2 H 1 2.952 0.003 . 2 . 958 . A 139 PHE HB2 . 34120 1 102 . 1 1 10 10 PHE HB3 H 1 2.846 0.002 . 2 . 959 . A 139 PHE HB3 . 34120 1 103 . 1 1 10 10 PHE HD1 H 1 7.009 0.003 . 1 . 1239 . A 139 PHE HD1 . 34120 1 104 . 1 1 10 10 PHE HD2 H 1 7.009 0.003 . 1 . 1239 . A 139 PHE HD2 . 34120 1 105 . 1 1 10 10 PHE C C 13 174.915 0.018 . 1 . 291 . A 139 PHE C . 34120 1 106 . 1 1 10 10 PHE CA C 13 57.166 0.092 . 1 . 139 . A 139 PHE CA . 34120 1 107 . 1 1 10 10 PHE CB C 13 39.632 0.055 . 1 . 177 . A 139 PHE CB . 34120 1 108 . 1 1 10 10 PHE CD1 C 13 131.740 0.017 . 1 . 1238 . A 139 PHE CD1 . 34120 1 109 . 1 1 10 10 PHE CD2 C 13 131.740 0.017 . 1 . 1238 . A 139 PHE CD2 . 34120 1 110 . 1 1 10 10 PHE N N 15 119.985 0.025 . 1 . 22 . A 139 PHE N . 34120 1 111 . 1 1 11 11 SER H H 1 8.108 0.011 . 1 . 91 . A 140 SER H . 34120 1 112 . 1 1 11 11 SER HA H 1 4.412 . . 1 . 960 . A 140 SER HA . 34120 1 113 . 1 1 11 11 SER HB2 H 1 3.831 0.0 . 2 . 961 . A 140 SER HB2 . 34120 1 114 . 1 1 11 11 SER HB3 H 1 3.790 0.002 . 2 . 962 . A 140 SER HB3 . 34120 1 115 . 1 1 11 11 SER C C 13 174.038 . . 1 . 306 . A 140 SER C . 34120 1 116 . 1 1 11 11 SER CA C 13 57.498 0.045 . 1 . 187 . A 140 SER CA . 34120 1 117 . 1 1 11 11 SER CB C 13 64.261 0.067 . 1 . 186 . A 140 SER CB . 34120 1 118 . 1 1 11 11 SER N N 15 117.339 0.064 . 1 . 92 . A 140 SER N . 34120 1 119 . 1 1 12 12 LEU H H 1 8.479 0.015 . 1 . 103 . A 141 LEU H . 34120 1 120 . 1 1 12 12 LEU HA H 1 4.371 0.01 . 1 . 835 . A 141 LEU HA . 34120 1 121 . 1 1 12 12 LEU HB2 H 1 1.541 0.006 . 2 . 963 . A 141 LEU HB2 . 34120 1 122 . 1 1 12 12 LEU HB3 H 1 1.728 0.005 . 2 . 964 . A 141 LEU HB3 . 34120 1 123 . 1 1 12 12 LEU HG H 1 1.527 0.02 . 1 . 965 . A 141 LEU HG . 34120 1 124 . 1 1 12 12 LEU HD11 H 1 0.812 0.012 . 2 . 966 . A 141 LEU HD11 . 34120 1 125 . 1 1 12 12 LEU HD12 H 1 0.812 0.012 . 2 . 966 . A 141 LEU HD12 . 34120 1 126 . 1 1 12 12 LEU HD13 H 1 0.812 0.012 . 2 . 966 . A 141 LEU HD13 . 34120 1 127 . 1 1 12 12 LEU HD21 H 1 0.708 0.007 . 2 . 967 . A 141 LEU HD21 . 34120 1 128 . 1 1 12 12 LEU HD22 H 1 0.708 0.007 . 2 . 967 . A 141 LEU HD22 . 34120 1 129 . 1 1 12 12 LEU HD23 H 1 0.708 0.007 . 2 . 967 . A 141 LEU HD23 . 34120 1 130 . 1 1 12 12 LEU C C 13 176.773 . . 1 . 307 . A 141 LEU C . 34120 1 131 . 1 1 12 12 LEU CA C 13 55.080 0.075 . 1 . 238 . A 141 LEU CA . 34120 1 132 . 1 1 12 12 LEU CB C 13 42.118 0.056 . 1 . 239 . A 141 LEU CB . 34120 1 133 . 1 1 12 12 LEU CG C 13 27.255 0.043 . 1 . 776 . A 141 LEU CG . 34120 1 134 . 1 1 12 12 LEU CD1 C 13 25.406 0.008 . 2 . 777 . A 141 LEU CD1 . 34120 1 135 . 1 1 12 12 LEU CD2 C 13 23.959 0.033 . 2 . 968 . A 141 LEU CD2 . 34120 1 136 . 1 1 12 12 LEU N N 15 125.160 0.059 . 1 . 104 . A 141 LEU N . 34120 1 137 . 1 1 13 13 LYS H H 1 8.363 0.006 . 1 . 114 . A 142 LYS H . 34120 1 138 . 1 1 13 13 LYS C C 13 174.337 . . 1 . 289 . A 142 LYS C . 34120 1 139 . 1 1 13 13 LYS CA C 13 53.762 0.027 . 1 . 206 . A 142 LYS CA . 34120 1 140 . 1 1 13 13 LYS CB C 13 33.628 . . 1 . 205 . A 142 LYS CB . 34120 1 141 . 1 1 13 13 LYS N N 15 123.558 0.055 . 1 . 115 . A 142 LYS N . 34120 1 142 . 1 1 14 14 PRO HA H 1 5.322 0.007 . 1 . 969 . A 143 PRO HA . 34120 1 143 . 1 1 14 14 PRO HB2 H 1 1.807 0.008 . 2 . 970 . A 143 PRO HB2 . 34120 1 144 . 1 1 14 14 PRO HB3 H 1 2.055 0.013 . 2 . 971 . A 143 PRO HB3 . 34120 1 145 . 1 1 14 14 PRO HG2 H 1 1.504 . . 2 . 974 . A 143 PRO HG2 . 34120 1 146 . 1 1 14 14 PRO HG3 H 1 0.739 . . 2 . 1144 . A 143 PRO HG3 . 34120 1 147 . 1 1 14 14 PRO HD2 H 1 3.945 0.001 . 2 . 972 . A 143 PRO HD2 . 34120 1 148 . 1 1 14 14 PRO HD3 H 1 3.645 0.003 . 2 . 973 . A 143 PRO HD3 . 34120 1 149 . 1 1 14 14 PRO C C 13 177.193 . . 1 . 290 . A 143 PRO C . 34120 1 150 . 1 1 14 14 PRO CA C 13 62.061 0.063 . 1 . 162 . A 143 PRO CA . 34120 1 151 . 1 1 14 14 PRO CB C 13 31.886 0.067 . 1 . 163 . A 143 PRO CB . 34120 1 152 . 1 1 14 14 PRO CG C 13 27.946 0.072 . 1 . 779 . A 143 PRO CG . 34120 1 153 . 1 1 14 14 PRO CD C 13 50.793 0.04 . 1 . 778 . A 143 PRO CD . 34120 1 154 . 1 1 15 15 MET H H 1 9.294 0.011 . 1 . 62 . A 144 MET H . 34120 1 155 . 1 1 15 15 MET HA H 1 4.780 0.007 . 1 . 975 . A 144 MET HA . 34120 1 156 . 1 1 15 15 MET HB2 H 1 1.931 0.01 . 2 . 976 . A 144 MET HB2 . 34120 1 157 . 1 1 15 15 MET HB3 H 1 2.336 0.001 . 2 . 977 . A 144 MET HB3 . 34120 1 158 . 1 1 15 15 MET HG2 H 1 2.487 0.001 . 2 . 979 . A 144 MET HG2 . 34120 1 159 . 1 1 15 15 MET HG3 H 1 2.417 0.012 . 2 . 980 . A 144 MET HG3 . 34120 1 160 . 1 1 15 15 MET C C 13 174.617 0.02 . 1 . 288 . A 144 MET C . 34120 1 161 . 1 1 15 15 MET CA C 13 55.459 0.073 . 1 . 174 . A 144 MET CA . 34120 1 162 . 1 1 15 15 MET CB C 13 36.627 0.022 . 1 . 175 . A 144 MET CB . 34120 1 163 . 1 1 15 15 MET CG C 13 31.545 0.023 . 1 . 978 . A 144 MET CG . 34120 1 164 . 1 1 15 15 MET N N 15 120.434 0.03 . 1 . 63 . A 144 MET N . 34120 1 165 . 1 1 16 16 ASP H H 1 8.577 0.008 . 1 . 86 . A 145 ASP H . 34120 1 166 . 1 1 16 16 ASP HA H 1 5.305 0.003 . 1 . 981 . A 145 ASP HA . 34120 1 167 . 1 1 16 16 ASP HB2 H 1 3.052 0.015 . 2 . 840 . A 145 ASP HB2 . 34120 1 168 . 1 1 16 16 ASP HB3 H 1 2.741 0.006 . 2 . 841 . A 145 ASP HB3 . 34120 1 169 . 1 1 16 16 ASP C C 13 177.235 . . 1 . 287 . A 145 ASP C . 34120 1 170 . 1 1 16 16 ASP CA C 13 52.642 0.056 . 1 . 156 . A 145 ASP CA . 34120 1 171 . 1 1 16 16 ASP CB C 13 42.749 0.024 . 1 . 157 . A 145 ASP CB . 34120 1 172 . 1 1 16 16 ASP N N 15 119.785 0.027 . 1 . 87 . A 145 ASP N . 34120 1 173 . 1 1 17 17 SER H H 1 9.020 0.005 . 1 . 52 . A 146 SER H . 34120 1 174 . 1 1 17 17 SER HA H 1 3.721 0.016 . 1 . 1048 . A 146 SER HA . 34120 1 175 . 1 1 17 17 SER HB2 H 1 3.753 0.006 . 2 . 842 . A 146 SER HB2 . 34120 1 176 . 1 1 17 17 SER HB3 H 1 4.011 0.006 . 2 . 985 . A 146 SER HB3 . 34120 1 177 . 1 1 17 17 SER C C 13 175.471 0.042 . 1 . 286 . A 146 SER C . 34120 1 178 . 1 1 17 17 SER CA C 13 62.277 0.047 . 1 . 983 . A 146 SER CA . 34120 1 179 . 1 1 17 17 SER CB C 13 63.009 0.053 . 1 . 178 . A 146 SER CB . 34120 1 180 . 1 1 17 17 SER N N 15 115.543 0.057 . 1 . 53 . A 146 SER N . 34120 1 181 . 1 1 18 18 GLU H H 1 8.027 0.012 . 1 . 93 . A 147 GLU H . 34120 1 182 . 1 1 18 18 GLU HA H 1 3.671 0.005 . 1 . 986 . A 147 GLU HA . 34120 1 183 . 1 1 18 18 GLU HB2 H 1 1.960 0.0 . 2 . 987 . A 147 GLU HB2 . 34120 1 184 . 1 1 18 18 GLU HB3 H 1 1.718 0.009 . 2 . 989 . A 147 GLU HB3 . 34120 1 185 . 1 1 18 18 GLU HG2 H 1 2.095 0.017 . 2 . 991 . A 147 GLU HG2 . 34120 1 186 . 1 1 18 18 GLU HG3 H 1 2.164 0.005 . 2 . 992 . A 147 GLU HG3 . 34120 1 187 . 1 1 18 18 GLU C C 13 178.452 . . 1 . 285 . A 147 GLU C . 34120 1 188 . 1 1 18 18 GLU CA C 13 60.458 0.034 . 1 . 136 . A 147 GLU CA . 34120 1 189 . 1 1 18 18 GLU CB C 13 29.145 0.026 . 1 . 988 . A 147 GLU CB . 34120 1 190 . 1 1 18 18 GLU CG C 13 37.251 0.007 . 1 . 990 . A 147 GLU CG . 34120 1 191 . 1 1 18 18 GLU N N 15 121.059 0.035 . 1 . 94 . A 147 GLU N . 34120 1 192 . 1 1 19 19 GLU H H 1 7.656 0.009 . 1 . 19 . A 148 GLU H . 34120 1 193 . 1 1 19 19 GLU HA H 1 3.788 0.01 . 1 . 844 . A 148 GLU HA . 34120 1 194 . 1 1 19 19 GLU HB2 H 1 2.192 0.006 . 2 . 993 . A 148 GLU HB2 . 34120 1 195 . 1 1 19 19 GLU HB3 H 1 1.930 0.003 . 2 . 995 . A 148 GLU HB3 . 34120 1 196 . 1 1 19 19 GLU HG2 H 1 2.236 0.002 . 2 . 1141 . A 148 GLU HG2 . 34120 1 197 . 1 1 19 19 GLU HG3 H 1 2.398 0.011 . 2 . 2328 . A 148 GLU HG3 . 34120 1 198 . 1 1 19 19 GLU C C 13 178.536 . . 1 . 284 . A 148 GLU C . 34120 1 199 . 1 1 19 19 GLU CA C 13 58.846 0.053 . 1 . 200 . A 148 GLU CA . 34120 1 200 . 1 1 19 19 GLU CB C 13 29.821 0.032 . 1 . 994 . A 148 GLU CB . 34120 1 201 . 1 1 19 19 GLU CG C 13 36.666 0.018 . 1 . 996 . A 148 GLU CG . 34120 1 202 . 1 1 19 19 GLU N N 15 120.158 0.07 . 1 . 20 . A 148 GLU N . 34120 1 203 . 1 1 20 20 ALA H H 1 7.769 0.009 . 1 . 126 . A 149 ALA H . 34120 1 204 . 1 1 20 20 ALA HA H 1 3.438 0.004 . 1 . 998 . A 149 ALA HA . 34120 1 205 . 1 1 20 20 ALA HB1 H 1 0.329 0.004 . 1 . 1156 . A 149 ALA HB1 . 34120 1 206 . 1 1 20 20 ALA HB2 H 1 0.329 0.004 . 1 . 1156 . A 149 ALA HB2 . 34120 1 207 . 1 1 20 20 ALA HB3 H 1 0.329 0.004 . 1 . 1156 . A 149 ALA HB3 . 34120 1 208 . 1 1 20 20 ALA C C 13 178.620 . . 1 . 283 . A 149 ALA C . 34120 1 209 . 1 1 20 20 ALA CA C 13 54.926 0.039 . 1 . 997 . A 149 ALA CA . 34120 1 210 . 1 1 20 20 ALA CB C 13 17.940 0.043 . 1 . 146 . A 149 ALA CB . 34120 1 211 . 1 1 20 20 ALA N N 15 122.104 0.029 . 1 . 127 . A 149 ALA N . 34120 1 212 . 1 1 21 21 VAL H H 1 7.525 0.006 . 1 . 33 . A 150 VAL H . 34120 1 213 . 1 1 21 21 VAL HA H 1 2.986 0.007 . 1 . 850 . A 150 VAL HA . 34120 1 214 . 1 1 21 21 VAL HB H 1 2.557 0.001 . 1 . 1004 . A 150 VAL HB . 34120 1 215 . 1 1 21 21 VAL HG11 H 1 0.481 0.006 . 2 . 1001 . A 150 VAL HG11 . 34120 1 216 . 1 1 21 21 VAL HG12 H 1 0.481 0.006 . 2 . 1001 . A 150 VAL HG12 . 34120 1 217 . 1 1 21 21 VAL HG13 H 1 0.481 0.006 . 2 . 1001 . A 150 VAL HG13 . 34120 1 218 . 1 1 21 21 VAL HG21 H 1 -0.070 0.005 . 2 . 1002 . A 150 VAL HG21 . 34120 1 219 . 1 1 21 21 VAL HG22 H 1 -0.070 0.005 . 2 . 1002 . A 150 VAL HG22 . 34120 1 220 . 1 1 21 21 VAL HG23 H 1 -0.070 0.005 . 2 . 1002 . A 150 VAL HG23 . 34120 1 221 . 1 1 21 21 VAL C C 13 177.295 0.023 . 1 . 282 . A 150 VAL C . 34120 1 222 . 1 1 21 21 VAL CA C 13 66.880 0.057 . 1 . 194 . A 150 VAL CA . 34120 1 223 . 1 1 21 21 VAL CB C 13 31.259 0.045 . 1 . 1003 . A 150 VAL CB . 34120 1 224 . 1 1 21 21 VAL CG1 C 13 23.371 0.073 . 2 . 784 . A 150 VAL CG1 . 34120 1 225 . 1 1 21 21 VAL CG2 C 13 20.441 0.035 . 2 . 783 . A 150 VAL CG2 . 34120 1 226 . 1 1 21 21 VAL N N 15 117.985 0.014 . 1 . 34 . A 150 VAL N . 34120 1 227 . 1 1 22 22 LEU H H 1 7.393 0.009 . 1 . 116 . A 151 LEU H . 34120 1 228 . 1 1 22 22 LEU HA H 1 3.825 0.01 . 1 . 852 . A 151 LEU HA . 34120 1 229 . 1 1 22 22 LEU HB2 H 1 1.693 0.007 . 2 . 1005 . A 151 LEU HB2 . 34120 1 230 . 1 1 22 22 LEU HB3 H 1 1.513 0.011 . 2 . 1006 . A 151 LEU HB3 . 34120 1 231 . 1 1 22 22 LEU HG H 1 1.627 0.013 . 1 . 1007 . A 151 LEU HG . 34120 1 232 . 1 1 22 22 LEU HD11 H 1 0.808 0.003 . 2 . 1008 . A 151 LEU HD11 . 34120 1 233 . 1 1 22 22 LEU HD12 H 1 0.808 0.003 . 2 . 1008 . A 151 LEU HD12 . 34120 1 234 . 1 1 22 22 LEU HD13 H 1 0.808 0.003 . 2 . 1008 . A 151 LEU HD13 . 34120 1 235 . 1 1 22 22 LEU HD21 H 1 0.793 0.005 . 2 . 1010 . A 151 LEU HD21 . 34120 1 236 . 1 1 22 22 LEU HD22 H 1 0.793 0.005 . 2 . 1010 . A 151 LEU HD22 . 34120 1 237 . 1 1 22 22 LEU HD23 H 1 0.793 0.005 . 2 . 1010 . A 151 LEU HD23 . 34120 1 238 . 1 1 22 22 LEU C C 13 180.244 0.079 . 1 . 281 . A 151 LEU C . 34120 1 239 . 1 1 22 22 LEU CA C 13 58.532 0.049 . 1 . 142 . A 151 LEU CA . 34120 1 240 . 1 1 22 22 LEU CB C 13 40.954 0.081 . 1 . 201 . A 151 LEU CB . 34120 1 241 . 1 1 22 22 LEU CG C 13 26.733 0.006 . 1 . 785 . A 151 LEU CG . 34120 1 242 . 1 1 22 22 LEU CD1 C 13 24.824 0.062 . 2 . 786 . A 151 LEU CD1 . 34120 1 243 . 1 1 22 22 LEU CD2 C 13 23.717 0.017 . 2 . 1009 . A 151 LEU CD2 . 34120 1 244 . 1 1 22 22 LEU N N 15 119.268 0.05 . 1 . 117 . A 151 LEU N . 34120 1 245 . 1 1 23 23 GLN H H 1 7.876 0.01 . 1 . 25 . A 152 GLN H . 34120 1 246 . 1 1 23 23 GLN HA H 1 3.672 0.002 . 1 . 855 . A 152 GLN HA . 34120 1 247 . 1 1 23 23 GLN HB2 H 1 1.838 . . 1 . 1142 . A 152 GLN HB2 . 34120 1 248 . 1 1 23 23 GLN HG2 H 1 1.910 0.003 . 2 . 1012 . A 152 GLN HG2 . 34120 1 249 . 1 1 23 23 GLN HG3 H 1 2.181 0.005 . 2 . 1013 . A 152 GLN HG3 . 34120 1 250 . 1 1 23 23 GLN HE21 H 1 7.152 0.015 . 1 . 101 . A 152 GLN HE21 . 34120 1 251 . 1 1 23 23 GLN HE22 H 1 6.700 0.005 . 1 . 300 . A 152 GLN HE22 . 34120 1 252 . 1 1 23 23 GLN C C 13 177.487 . . 1 . 280 . A 152 GLN C . 34120 1 253 . 1 1 23 23 GLN CA C 13 58.282 0.037 . 1 . 305 . A 152 GLN CA . 34120 1 254 . 1 1 23 23 GLN CB C 13 27.422 0.053 . 1 . 192 . A 152 GLN CB . 34120 1 255 . 1 1 23 23 GLN CG C 13 33.456 0.021 . 1 . 1011 . A 152 GLN CG . 34120 1 256 . 1 1 23 23 GLN N N 15 118.619 0.036 . 1 . 26 . A 152 GLN N . 34120 1 257 . 1 1 23 23 GLN NE2 N 15 111.365 0.051 . 1 . 102 . A 152 GLN NE2 . 34120 1 258 . 1 1 24 24 MET H H 1 8.057 0.012 . 1 . 110 . A 153 MET H . 34120 1 259 . 1 1 24 24 MET HA H 1 3.381 0.003 . 1 . 1014 . A 153 MET HA . 34120 1 260 . 1 1 24 24 MET HB2 H 1 1.834 . . 2 . 1017 . A 153 MET HB2 . 34120 1 261 . 1 1 24 24 MET HB3 H 1 1.715 0.021 . 2 . 1018 . A 153 MET HB3 . 34120 1 262 . 1 1 24 24 MET HG2 H 1 2.349 0.004 . 1 . 1015 . A 153 MET HG2 . 34120 1 263 . 1 1 24 24 MET C C 13 178.220 0.022 . 1 . 279 . A 153 MET C . 34120 1 264 . 1 1 24 24 MET CA C 13 59.900 0.032 . 1 . 151 . A 153 MET CA . 34120 1 265 . 1 1 24 24 MET CB C 13 33.622 0.004 . 1 . 1016 . A 153 MET CB . 34120 1 266 . 1 1 24 24 MET CG C 13 31.789 0.043 . 1 . 789 . A 153 MET CG . 34120 1 267 . 1 1 24 24 MET N N 15 120.093 0.077 . 1 . 111 . A 153 MET N . 34120 1 268 . 1 1 25 25 ASN H H 1 8.136 0.011 . 1 . 40 . A 154 ASN H . 34120 1 269 . 1 1 25 25 ASN HA H 1 4.518 0.011 . 1 . 1019 . A 154 ASN HA . 34120 1 270 . 1 1 25 25 ASN HB2 H 1 2.731 0.013 . 2 . 1020 . A 154 ASN HB2 . 34120 1 271 . 1 1 25 25 ASN HB3 H 1 2.793 0.013 . 2 . 1021 . A 154 ASN HB3 . 34120 1 272 . 1 1 25 25 ASN HD21 H 1 7.321 0.01 . 1 . 29 . A 154 ASN HD21 . 34120 1 273 . 1 1 25 25 ASN HD22 H 1 6.604 0.009 . 1 . 88 . A 154 ASN HD22 . 34120 1 274 . 1 1 25 25 ASN C C 13 178.550 0.04 . 1 . 278 . A 154 ASN C . 34120 1 275 . 1 1 25 25 ASN CA C 13 55.347 0.034 . 1 . 158 . A 154 ASN CA . 34120 1 276 . 1 1 25 25 ASN CB C 13 37.656 0.044 . 1 . 204 . A 154 ASN CB . 34120 1 277 . 1 1 25 25 ASN N N 15 116.567 0.065 . 1 . 41 . A 154 ASN N . 34120 1 278 . 1 1 25 25 ASN ND2 N 15 108.862 0.141 . 1 . 30 . A 154 ASN ND2 . 34120 1 279 . 1 1 26 26 LEU H H 1 8.136 0.007 . 1 . 54 . A 155 LEU H . 34120 1 280 . 1 1 26 26 LEU HA H 1 4.034 0.002 . 1 . 859 . A 155 LEU HA . 34120 1 281 . 1 1 26 26 LEU HB2 H 1 1.543 0.007 . 2 . 1022 . A 155 LEU HB2 . 34120 1 282 . 1 1 26 26 LEU HB3 H 1 1.725 0.005 . 2 . 1025 . A 155 LEU HB3 . 34120 1 283 . 1 1 26 26 LEU HG H 1 1.607 0.002 . 1 . 1027 . A 155 LEU HG . 34120 1 284 . 1 1 26 26 LEU HD11 H 1 0.778 0.011 . 2 . 1030 . A 155 LEU HD11 . 34120 1 285 . 1 1 26 26 LEU HD12 H 1 0.778 0.011 . 2 . 1030 . A 155 LEU HD12 . 34120 1 286 . 1 1 26 26 LEU HD13 H 1 0.778 0.011 . 2 . 1030 . A 155 LEU HD13 . 34120 1 287 . 1 1 26 26 LEU HD21 H 1 0.788 0.002 . 2 . 1031 . A 155 LEU HD21 . 34120 1 288 . 1 1 26 26 LEU HD22 H 1 0.788 0.002 . 2 . 1031 . A 155 LEU HD22 . 34120 1 289 . 1 1 26 26 LEU HD23 H 1 0.788 0.002 . 2 . 1031 . A 155 LEU HD23 . 34120 1 290 . 1 1 26 26 LEU C C 13 179.474 0.029 . 1 . 277 . A 155 LEU C . 34120 1 291 . 1 1 26 26 LEU CA C 13 58.025 0.05 . 1 . 193 . A 155 LEU CA . 34120 1 292 . 1 1 26 26 LEU CB C 13 42.082 0.027 . 1 . 1024 . A 155 LEU CB . 34120 1 293 . 1 1 26 26 LEU CG C 13 26.796 0.091 . 1 . 1026 . A 155 LEU CG . 34120 1 294 . 1 1 26 26 LEU CD1 C 13 23.681 0.022 . 2 . 1029 . A 155 LEU CD1 . 34120 1 295 . 1 1 26 26 LEU CD2 C 13 24.645 0.017 . 2 . 1028 . A 155 LEU CD2 . 34120 1 296 . 1 1 26 26 LEU N N 15 123.729 0.031 . 1 . 55 . A 155 LEU N . 34120 1 297 . 1 1 27 27 LEU H H 1 7.694 0.012 . 1 . 112 . A 156 LEU H . 34120 1 298 . 1 1 27 27 LEU HA H 1 4.042 0.004 . 1 . 1032 . A 156 LEU HA . 34120 1 299 . 1 1 27 27 LEU HB2 H 1 1.355 0.005 . 1 . 861 . A 156 LEU HB2 . 34120 1 300 . 1 1 27 27 LEU HG H 1 1.616 0.008 . 1 . 1035 . A 156 LEU HG . 34120 1 301 . 1 1 27 27 LEU HD11 H 1 0.799 0.019 . 2 . 1223 . A 156 LEU HD11 . 34120 1 302 . 1 1 27 27 LEU HD12 H 1 0.799 0.019 . 2 . 1223 . A 156 LEU HD12 . 34120 1 303 . 1 1 27 27 LEU HD13 H 1 0.799 0.019 . 2 . 1223 . A 156 LEU HD13 . 34120 1 304 . 1 1 27 27 LEU HD21 H 1 0.831 0.015 . 2 . 1224 . A 156 LEU HD21 . 34120 1 305 . 1 1 27 27 LEU HD22 H 1 0.831 0.015 . 2 . 1224 . A 156 LEU HD22 . 34120 1 306 . 1 1 27 27 LEU HD23 H 1 0.831 0.015 . 2 . 1224 . A 156 LEU HD23 . 34120 1 307 . 1 1 27 27 LEU C C 13 177.745 0.005 . 1 . 276 . A 156 LEU C . 34120 1 308 . 1 1 27 27 LEU CA C 13 55.415 0.043 . 1 . 153 . A 156 LEU CA . 34120 1 309 . 1 1 27 27 LEU CB C 13 42.378 0.058 . 1 . 154 . A 156 LEU CB . 34120 1 310 . 1 1 27 27 LEU CG C 13 26.713 0.079 . 1 . 1034 . A 156 LEU CG . 34120 1 311 . 1 1 27 27 LEU CD1 C 13 22.157 0.003 . 2 . 794 . A 156 LEU CD1 . 34120 1 312 . 1 1 27 27 LEU CD2 C 13 25.902 0.019 . 2 . 1033 . A 156 LEU CD2 . 34120 1 313 . 1 1 27 27 LEU N N 15 116.614 0.037 . 1 . 113 . A 156 LEU N . 34120 1 314 . 1 1 28 28 GLY H H 1 7.696 0.011 . 1 . 47 . A 157 GLY H . 34120 1 315 . 1 1 28 28 GLY HA2 H 1 4.032 0.009 . 2 . 862 . A 157 GLY HA2 . 34120 1 316 . 1 1 28 28 GLY HA3 H 1 3.853 0.004 . 2 . 863 . A 157 GLY HA3 . 34120 1 317 . 1 1 28 28 GLY C C 13 175.248 0.017 . 1 . 275 . A 157 GLY C . 34120 1 318 . 1 1 28 28 GLY CA C 13 46.039 0.024 . 1 . 145 . A 157 GLY CA . 34120 1 319 . 1 1 28 28 GLY N N 15 107.110 0.032 . 1 . 48 . A 157 GLY N . 34120 1 320 . 1 1 29 29 HIS H H 1 7.579 0.009 . 1 . 31 . A 158 HIS H . 34120 1 321 . 1 1 29 29 HIS HA H 1 4.999 0.003 . 1 . 1036 . A 158 HIS HA . 34120 1 322 . 1 1 29 29 HIS HB2 H 1 2.815 0.01 . 2 . 1037 . A 158 HIS HB2 . 34120 1 323 . 1 1 29 29 HIS HB3 H 1 3.365 0.007 . 2 . 1038 . A 158 HIS HB3 . 34120 1 324 . 1 1 29 29 HIS HD2 H 1 6.710 0.003 . 1 . 1237 . A 158 HIS HD2 . 34120 1 325 . 1 1 29 29 HIS C C 13 174.653 0.019 . 1 . 274 . A 158 HIS C . 34120 1 326 . 1 1 29 29 HIS CA C 13 54.085 0.045 . 1 . 208 . A 158 HIS CA . 34120 1 327 . 1 1 29 29 HIS CB C 13 34.286 0.034 . 1 . 207 . A 158 HIS CB . 34120 1 328 . 1 1 29 29 HIS CD2 C 13 118.293 0.092 . 1 . 1236 . A 158 HIS CD2 . 34120 1 329 . 1 1 29 29 HIS N N 15 119.034 0.114 . 1 . 32 . A 158 HIS N . 34120 1 330 . 1 1 30 30 ASP H H 1 9.066 0.014 . 1 . 105 . A 159 ASP H . 34120 1 331 . 1 1 30 30 ASP HA H 1 4.986 0.014 . 1 . 864 . A 159 ASP HA . 34120 1 332 . 1 1 30 30 ASP HB2 H 1 3.251 0.004 . 2 . 1040 . A 159 ASP HB2 . 34120 1 333 . 1 1 30 30 ASP HB3 H 1 2.898 0.01 . 2 . 1041 . A 159 ASP HB3 . 34120 1 334 . 1 1 30 30 ASP C C 13 175.033 . . 1 . 304 . A 159 ASP C . 34120 1 335 . 1 1 30 30 ASP CA C 13 55.343 0.024 . 1 . 129 . A 159 ASP CA . 34120 1 336 . 1 1 30 30 ASP CB C 13 42.549 0.031 . 1 . 130 . A 159 ASP CB . 34120 1 337 . 1 1 30 30 ASP N N 15 117.504 0.032 . 1 . 106 . A 159 ASP N . 34120 1 338 . 1 1 31 31 PHE H H 1 7.325 0.008 . 1 . 3 . A 160 PHE H . 34120 1 339 . 1 1 31 31 PHE HA H 1 5.547 0.011 . 1 . 867 . A 160 PHE HA . 34120 1 340 . 1 1 31 31 PHE HB2 H 1 2.690 0.012 . 2 . 868 . A 160 PHE HB2 . 34120 1 341 . 1 1 31 31 PHE HB3 H 1 2.459 0.012 . 2 . 869 . A 160 PHE HB3 . 34120 1 342 . 1 1 31 31 PHE HD1 H 1 6.644 0.008 . 1 . 1229 . A 160 PHE HD1 . 34120 1 343 . 1 1 31 31 PHE HD2 H 1 6.644 0.008 . 1 . 1229 . A 160 PHE HD2 . 34120 1 344 . 1 1 31 31 PHE HE1 H 1 6.849 0.007 . 1 . 1232 . A 160 PHE HE1 . 34120 1 345 . 1 1 31 31 PHE HE2 H 1 6.849 0.007 . 1 . 1232 . A 160 PHE HE2 . 34120 1 346 . 1 1 31 31 PHE HZ H 1 6.413 0.014 . 1 . 1266 . A 160 PHE HZ . 34120 1 347 . 1 1 31 31 PHE C C 13 173.743 0.027 . 1 . 273 . A 160 PHE C . 34120 1 348 . 1 1 31 31 PHE CA C 13 56.650 0.064 . 1 . 196 . A 160 PHE CA . 34120 1 349 . 1 1 31 31 PHE CB C 13 41.200 0.05 . 1 . 197 . A 160 PHE CB . 34120 1 350 . 1 1 31 31 PHE CD1 C 13 131.525 0.045 . 1 . 1230 . A 160 PHE CD1 . 34120 1 351 . 1 1 31 31 PHE CD2 C 13 131.525 0.045 . 1 . 1230 . A 160 PHE CD2 . 34120 1 352 . 1 1 31 31 PHE CE1 C 13 130.624 0.049 . 1 . 1231 . A 160 PHE CE1 . 34120 1 353 . 1 1 31 31 PHE CE2 C 13 130.624 0.049 . 1 . 1231 . A 160 PHE CE2 . 34120 1 354 . 1 1 31 31 PHE N N 15 114.513 0.036 . 1 . 4 . A 160 PHE N . 34120 1 355 . 1 1 32 32 PHE H H 1 9.153 0.008 . 1 . 122 . A 161 PHE H . 34120 1 356 . 1 1 32 32 PHE HA H 1 4.351 0.012 . 1 . 870 . A 161 PHE HA . 34120 1 357 . 1 1 32 32 PHE HB2 H 1 2.766 0.003 . 2 . 1042 . A 161 PHE HB2 . 34120 1 358 . 1 1 32 32 PHE HB3 H 1 2.656 0.01 . 2 . 1043 . A 161 PHE HB3 . 34120 1 359 . 1 1 32 32 PHE C C 13 172.743 0.03 . 1 . 272 . A 161 PHE C . 34120 1 360 . 1 1 32 32 PHE CA C 13 59.226 0.03 . 1 . 217 . A 161 PHE CA . 34120 1 361 . 1 1 32 32 PHE CB C 13 43.854 0.032 . 1 . 160 . A 161 PHE CB . 34120 1 362 . 1 1 32 32 PHE N N 15 121.294 0.037 . 1 . 123 . A 161 PHE N . 34120 1 363 . 1 1 33 33 VAL H H 1 7.189 0.012 . 1 . 58 . A 162 VAL H . 34120 1 364 . 1 1 33 33 VAL HA H 1 4.905 0.006 . 1 . 1044 . A 162 VAL HA . 34120 1 365 . 1 1 33 33 VAL HB H 1 1.546 0.003 . 1 . 1045 . A 162 VAL HB . 34120 1 366 . 1 1 33 33 VAL HG11 H 1 1.198 . . 2 . 1146 . A 162 VAL HG11 . 34120 1 367 . 1 1 33 33 VAL HG12 H 1 1.198 . . 2 . 1146 . A 162 VAL HG12 . 34120 1 368 . 1 1 33 33 VAL HG13 H 1 1.198 . . 2 . 1146 . A 162 VAL HG13 . 34120 1 369 . 1 1 33 33 VAL HG21 H 1 0.936 0.015 . 2 . 1148 . A 162 VAL HG21 . 34120 1 370 . 1 1 33 33 VAL HG22 H 1 0.936 0.015 . 2 . 1148 . A 162 VAL HG22 . 34120 1 371 . 1 1 33 33 VAL HG23 H 1 0.936 0.015 . 2 . 1148 . A 162 VAL HG23 . 34120 1 372 . 1 1 33 33 VAL C C 13 173.588 . . 1 . 271 . A 162 VAL C . 34120 1 373 . 1 1 33 33 VAL CA C 13 60.832 0.015 . 1 . 179 . A 162 VAL CA . 34120 1 374 . 1 1 33 33 VAL CB C 13 32.732 0.033 . 1 . 180 . A 162 VAL CB . 34120 1 375 . 1 1 33 33 VAL CG1 C 13 21.563 0.046 . 2 . 1145 . A 162 VAL CG1 . 34120 1 376 . 1 1 33 33 VAL CG2 C 13 21.603 . . 2 . 1147 . A 162 VAL CG2 . 34120 1 377 . 1 1 33 33 VAL N N 15 128.250 0.039 . 1 . 59 . A 162 VAL N . 34120 1 378 . 1 1 34 34 PHE H H 1 8.992 0.014 . 1 . 95 . A 163 PHE H . 34120 1 379 . 1 1 34 34 PHE HA H 1 5.006 0.013 . 1 . 872 . A 163 PHE HA . 34120 1 380 . 1 1 34 34 PHE HB2 H 1 3.242 0.007 . 1 . 1046 . A 163 PHE HB2 . 34120 1 381 . 1 1 34 34 PHE HD1 H 1 7.168 0.013 . 1 . 1228 . A 163 PHE HD1 . 34120 1 382 . 1 1 34 34 PHE HD2 H 1 7.168 0.013 . 1 . 1228 . A 163 PHE HD2 . 34120 1 383 . 1 1 34 34 PHE HE1 H 1 6.953 0.022 . 1 . 1235 . A 163 PHE HE1 . 34120 1 384 . 1 1 34 34 PHE HE2 H 1 6.953 0.022 . 1 . 1235 . A 163 PHE HE2 . 34120 1 385 . 1 1 34 34 PHE C C 13 172.538 0.0 . 1 . 270 . A 163 PHE C . 34120 1 386 . 1 1 34 34 PHE CA C 13 55.723 0.051 . 1 . 215 . A 163 PHE CA . 34120 1 387 . 1 1 34 34 PHE CB C 13 41.114 0.013 . 1 . 216 . A 163 PHE CB . 34120 1 388 . 1 1 34 34 PHE CD1 C 13 133.964 0.054 . 1 . 1227 . A 163 PHE CD1 . 34120 1 389 . 1 1 34 34 PHE CD2 C 13 133.964 0.054 . 1 . 1227 . A 163 PHE CD2 . 34120 1 390 . 1 1 34 34 PHE N N 15 122.717 0.025 . 1 . 96 . A 163 PHE N . 34120 1 391 . 1 1 35 35 THR H H 1 8.362 0.012 . 1 . 70 . A 164 THR H . 34120 1 392 . 1 1 35 35 THR HA H 1 4.317 0.013 . 1 . 873 . A 164 THR HA . 34120 1 393 . 1 1 35 35 THR HB H 1 3.536 0.002 . 1 . 874 . A 164 THR HB . 34120 1 394 . 1 1 35 35 THR HG21 H 1 0.977 0.025 . 1 . 875 . A 164 THR HG1 . 34120 1 395 . 1 1 35 35 THR HG22 H 1 0.977 0.025 . 1 . 875 . A 164 THR HG1 . 34120 1 396 . 1 1 35 35 THR HG23 H 1 0.977 0.025 . 1 . 875 . A 164 THR HG1 . 34120 1 397 . 1 1 35 35 THR C C 13 172.724 0.008 . 1 . 269 . A 164 THR C . 34120 1 398 . 1 1 35 35 THR CA C 13 62.256 0.018 . 1 . 229 . A 164 THR CA . 34120 1 399 . 1 1 35 35 THR CB C 13 69.079 0.051 . 1 . 128 . A 164 THR CB . 34120 1 400 . 1 1 35 35 THR CG2 C 13 21.656 0.006 . 1 . 1047 . A 164 THR CG2 . 34120 1 401 . 1 1 35 35 THR N N 15 118.938 0.029 . 1 . 71 . A 164 THR N . 34120 1 402 . 1 1 36 36 ASP H H 1 8.637 0.007 . 1 . 17 . A 165 ASP H . 34120 1 403 . 1 1 36 36 ASP HA H 1 5.091 0.008 . 1 . 1049 . A 165 ASP HA . 34120 1 404 . 1 1 36 36 ASP HB2 H 1 2.192 0.007 . 2 . 1050 . A 165 ASP HB2 . 34120 1 405 . 1 1 36 36 ASP HB3 H 1 3.191 0.016 . 2 . 1051 . A 165 ASP HB3 . 34120 1 406 . 1 1 36 36 ASP C C 13 178.289 0.0 . 1 . 268 . A 165 ASP C . 34120 1 407 . 1 1 36 36 ASP CA C 13 53.786 0.088 . 1 . 211 . A 165 ASP CA . 34120 1 408 . 1 1 36 36 ASP CB C 13 42.509 0.017 . 1 . 150 . A 165 ASP CB . 34120 1 409 . 1 1 36 36 ASP N N 15 129.593 0.037 . 1 . 18 . A 165 ASP N . 34120 1 410 . 1 1 37 37 ARG H H 1 8.493 0.009 . 1 . 38 . A 166 ARG H . 34120 1 411 . 1 1 37 37 ARG HA H 1 4.118 0.002 . 1 . 1056 . A 166 ARG HA . 34120 1 412 . 1 1 37 37 ARG HB2 H 1 1.752 . . 2 . 1060 . A 166 ARG HB2 . 34120 1 413 . 1 1 37 37 ARG HB3 H 1 1.685 0.001 . 2 . 1062 . A 166 ARG HB3 . 34120 1 414 . 1 1 37 37 ARG HG2 H 1 1.600 0.006 . 1 . 1059 . A 166 ARG HG2 . 34120 1 415 . 1 1 37 37 ARG HD2 H 1 3.202 0.004 . 1 . 1058 . A 166 ARG HD2 . 34120 1 416 . 1 1 37 37 ARG C C 13 177.533 0.019 . 1 . 267 . A 166 ARG C . 34120 1 417 . 1 1 37 37 ARG CA C 13 58.513 0.101 . 1 . 1055 . A 166 ARG CA . 34120 1 418 . 1 1 37 37 ARG CB C 13 30.760 0.051 . 1 . 212 . A 166 ARG CB . 34120 1 419 . 1 1 37 37 ARG CG C 13 27.563 0.052 . 1 . 796 . A 166 ARG CG . 34120 1 420 . 1 1 37 37 ARG CD C 13 43.593 0.024 . 1 . 1057 . A 166 ARG CD . 34120 1 421 . 1 1 37 37 ARG N N 15 127.582 0.02 . 1 . 39 . A 166 ARG N . 34120 1 422 . 1 1 38 38 GLU H H 1 9.056 0.005 . 1 . 209 . A 167 GLU H . 34120 1 423 . 1 1 38 38 GLU HA H 1 4.207 0.003 . 1 . 1063 . A 167 GLU HA . 34120 1 424 . 1 1 38 38 GLU HB2 H 1 2.171 0.009 . 2 . 1064 . A 167 GLU HB2 . 34120 1 425 . 1 1 38 38 GLU HB3 H 1 2.129 0.022 . 2 . 1065 . A 167 GLU HB3 . 34120 1 426 . 1 1 38 38 GLU HG2 H 1 2.398 0.002 . 2 . 1067 . A 167 GLU HG2 . 34120 1 427 . 1 1 38 38 GLU HG3 H 1 2.226 0.0 . 2 . 1068 . A 167 GLU HG3 . 34120 1 428 . 1 1 38 38 GLU C C 13 177.933 0.025 . 1 . 303 . A 167 GLU C . 34120 1 429 . 1 1 38 38 GLU CA C 13 58.778 0.021 . 1 . 164 . A 167 GLU CA . 34120 1 430 . 1 1 38 38 GLU CB C 13 30.672 0.028 . 1 . 165 . A 167 GLU CB . 34120 1 431 . 1 1 38 38 GLU CG C 13 37.113 0.007 . 1 . 1066 . A 167 GLU CG . 34120 1 432 . 1 1 38 38 GLU N N 15 117.478 0.01 . 1 . 210 . A 167 GLU N . 34120 1 433 . 1 1 39 39 THR H H 1 7.285 0.013 . 1 . 64 . A 168 THR H . 34120 1 434 . 1 1 39 39 THR HA H 1 4.376 0.002 . 1 . 1069 . A 168 THR HA . 34120 1 435 . 1 1 39 39 THR HB H 1 4.255 0.008 . 1 . 1070 . A 168 THR HB . 34120 1 436 . 1 1 39 39 THR HG21 H 1 0.693 . . 1 . 1071 . A 168 THR HG21 . 34120 1 437 . 1 1 39 39 THR HG22 H 1 0.693 . . 1 . 1071 . A 168 THR HG22 . 34120 1 438 . 1 1 39 39 THR HG23 H 1 0.693 . . 1 . 1071 . A 168 THR HG23 . 34120 1 439 . 1 1 39 39 THR C C 13 175.725 0.015 . 1 . 266 . A 168 THR C . 34120 1 440 . 1 1 39 39 THR CA C 13 61.318 0.034 . 1 . 144 . A 168 THR CA . 34120 1 441 . 1 1 39 39 THR CB C 13 71.169 0.053 . 1 . 143 . A 168 THR CB . 34120 1 442 . 1 1 39 39 THR CG2 C 13 21.777 0.007 . 1 . 799 . A 168 THR CG2 . 34120 1 443 . 1 1 39 39 THR N N 15 105.437 0.036 . 1 . 65 . A 168 THR N . 34120 1 444 . 1 1 40 40 ASP H H 1 8.669 0.011 . 1 . 27 . A 169 ASP H . 34120 1 445 . 1 1 40 40 ASP HA H 1 4.275 0.015 . 1 . 1073 . A 169 ASP HA . 34120 1 446 . 1 1 40 40 ASP HB2 H 1 2.985 0.008 . 2 . 880 . A 169 ASP HB2 . 34120 1 447 . 1 1 40 40 ASP HB3 H 1 2.777 0.01 . 2 . 881 . A 169 ASP HB3 . 34120 1 448 . 1 1 40 40 ASP C C 13 174.913 0.032 . 1 . 265 . A 169 ASP C . 34120 1 449 . 1 1 40 40 ASP CA C 13 56.524 0.052 . 1 . 1072 . A 169 ASP CA . 34120 1 450 . 1 1 40 40 ASP CB C 13 40.500 0.015 . 1 . 137 . A 169 ASP CB . 34120 1 451 . 1 1 40 40 ASP N N 15 119.389 0.057 . 1 . 28 . A 169 ASP N . 34120 1 452 . 1 1 41 41 GLY H H 1 8.045 0.009 . 1 . 13 . A 170 GLY H . 34120 1 453 . 1 1 41 41 GLY HA2 H 1 4.481 0.011 . 2 . 882 . A 170 GLY HA2 . 34120 1 454 . 1 1 41 41 GLY HA3 H 1 3.633 0.008 . 2 . 883 . A 170 GLY HA3 . 34120 1 455 . 1 1 41 41 GLY C C 13 173.204 . . 1 . 264 . A 170 GLY C . 34120 1 456 . 1 1 41 41 GLY CA C 13 44.149 0.032 . 1 . 155 . A 170 GLY CA . 34120 1 457 . 1 1 41 41 GLY N N 15 106.203 0.052 . 1 . 14 . A 170 GLY N . 34120 1 458 . 1 1 42 42 THR H H 1 8.305 0.005 . 1 . 49 . A 171 THR H . 34120 1 459 . 1 1 42 42 THR HA H 1 4.364 0.005 . 1 . 884 . A 171 THR HA . 34120 1 460 . 1 1 42 42 THR HB H 1 3.735 0.006 . 1 . 885 . A 171 THR HB . 34120 1 461 . 1 1 42 42 THR HG21 H 1 0.873 0.003 . 1 . 886 . A 171 THR HG1 . 34120 1 462 . 1 1 42 42 THR HG22 H 1 0.873 0.003 . 1 . 886 . A 171 THR HG1 . 34120 1 463 . 1 1 42 42 THR HG23 H 1 0.873 0.003 . 1 . 886 . A 171 THR HG1 . 34120 1 464 . 1 1 42 42 THR C C 13 174.798 0.064 . 1 . 263 . A 171 THR C . 34120 1 465 . 1 1 42 42 THR CA C 13 64.166 0.051 . 1 . 148 . A 171 THR CA . 34120 1 466 . 1 1 42 42 THR CB C 13 68.418 0.059 . 1 . 147 . A 171 THR CB . 34120 1 467 . 1 1 42 42 THR CG2 C 13 22.508 0.062 . 1 . 800 . A 171 THR CG2 . 34120 1 468 . 1 1 42 42 THR N N 15 118.803 0.052 . 1 . 50 . A 171 THR N . 34120 1 469 . 1 1 43 43 SER H H 1 9.087 0.011 . 1 . 36 . A 172 SER H . 34120 1 470 . 1 1 43 43 SER HA H 1 5.266 0.004 . 1 . 1074 . A 172 SER HA . 34120 1 471 . 1 1 43 43 SER HB2 H 1 3.387 0.004 . 1 . 888 . A 172 SER HB2 . 34120 1 472 . 1 1 43 43 SER C C 13 170.435 0.02 . 1 . 262 . A 172 SER C . 34120 1 473 . 1 1 43 43 SER CA C 13 56.822 0.079 . 1 . 221 . A 172 SER CA . 34120 1 474 . 1 1 43 43 SER CB C 13 67.572 0.027 . 1 . 220 . A 172 SER CB . 34120 1 475 . 1 1 43 43 SER N N 15 127.065 0.049 . 1 . 37 . A 172 SER N . 34120 1 476 . 1 1 44 44 ILE H H 1 8.814 0.019 . 1 . 120 . A 173 ILE H . 34120 1 477 . 1 1 44 44 ILE HA H 1 5.260 0.005 . 1 . 1076 . A 173 ILE HA . 34120 1 478 . 1 1 44 44 ILE HB H 1 1.617 0.002 . 1 . 1077 . A 173 ILE HB . 34120 1 479 . 1 1 44 44 ILE HG12 H 1 0.863 0.006 . 2 . 1078 . A 173 ILE HG12 . 34120 1 480 . 1 1 44 44 ILE HG13 H 1 1.412 0.009 . 2 . 1079 . A 173 ILE HG13 . 34120 1 481 . 1 1 44 44 ILE HG21 H 1 0.595 0.006 . 1 . 1080 . A 173 ILE HG21 . 34120 1 482 . 1 1 44 44 ILE HG22 H 1 0.595 0.006 . 1 . 1080 . A 173 ILE HG22 . 34120 1 483 . 1 1 44 44 ILE HG23 H 1 0.595 0.006 . 1 . 1080 . A 173 ILE HG23 . 34120 1 484 . 1 1 44 44 ILE HD11 H 1 0.551 0.011 . 1 . 1081 . A 173 ILE HD11 . 34120 1 485 . 1 1 44 44 ILE HD12 H 1 0.551 0.011 . 1 . 1081 . A 173 ILE HD12 . 34120 1 486 . 1 1 44 44 ILE HD13 H 1 0.551 0.011 . 1 . 1081 . A 173 ILE HD13 . 34120 1 487 . 1 1 44 44 ILE C C 13 176.881 0.021 . 1 . 261 . A 173 ILE C . 34120 1 488 . 1 1 44 44 ILE CA C 13 60.388 0.062 . 1 . 140 . A 173 ILE CA . 34120 1 489 . 1 1 44 44 ILE CB C 13 43.032 0.066 . 1 . 141 . A 173 ILE CB . 34120 1 490 . 1 1 44 44 ILE CG1 C 13 29.328 0.061 . 1 . 801 . A 173 ILE CG1 . 34120 1 491 . 1 1 44 44 ILE CG2 C 13 18.965 0.012 . 1 . 802 . A 173 ILE CG2 . 34120 1 492 . 1 1 44 44 ILE CD1 C 13 16.062 0.045 . 1 . 803 . A 173 ILE CD1 . 34120 1 493 . 1 1 44 44 ILE N N 15 119.726 0.048 . 1 . 121 . A 173 ILE N . 34120 1 494 . 1 1 45 45 VAL H H 1 8.932 0.01 . 1 . 23 . A 174 VAL H . 34120 1 495 . 1 1 45 45 VAL HA H 1 6.037 0.01 . 1 . 890 . A 174 VAL HA . 34120 1 496 . 1 1 45 45 VAL HB H 1 2.053 0.012 . 1 . 1082 . A 174 VAL HB . 34120 1 497 . 1 1 45 45 VAL HG11 H 1 1.016 0.005 . 2 . 1083 . A 174 VAL HG11 . 34120 1 498 . 1 1 45 45 VAL HG12 H 1 1.016 0.005 . 2 . 1083 . A 174 VAL HG12 . 34120 1 499 . 1 1 45 45 VAL HG13 H 1 1.016 0.005 . 2 . 1083 . A 174 VAL HG13 . 34120 1 500 . 1 1 45 45 VAL HG21 H 1 1.157 . . 2 . 2399 . A 174 VAL HG21 . 34120 1 501 . 1 1 45 45 VAL HG22 H 1 1.157 . . 2 . 2399 . A 174 VAL HG22 . 34120 1 502 . 1 1 45 45 VAL HG23 H 1 1.157 . . 2 . 2399 . A 174 VAL HG23 . 34120 1 503 . 1 1 45 45 VAL C C 13 175.163 0.031 . 1 . 260 . A 174 VAL C . 34120 1 504 . 1 1 45 45 VAL CA C 13 58.695 0.05 . 1 . 188 . A 174 VAL CA . 34120 1 505 . 1 1 45 45 VAL CB C 13 35.578 0.028 . 1 . 223 . A 174 VAL CB . 34120 1 506 . 1 1 45 45 VAL CG1 C 13 20.544 0.057 . 2 . 804 . A 174 VAL CG1 . 34120 1 507 . 1 1 45 45 VAL CG2 C 13 22.405 . . 2 . 2400 . A 174 VAL CG2 . 34120 1 508 . 1 1 45 45 VAL N N 15 120.771 0.06 . 1 . 24 . A 174 VAL N . 34120 1 509 . 1 1 46 46 TYR H H 1 8.593 0.011 . 1 . 15 . A 175 TYR H . 34120 1 510 . 1 1 46 46 TYR HA H 1 5.442 0.012 . 1 . 891 . A 175 TYR HA . 34120 1 511 . 1 1 46 46 TYR HB2 H 1 2.883 0.006 . 2 . 1085 . A 175 TYR HB2 . 34120 1 512 . 1 1 46 46 TYR HB3 H 1 3.321 0.014 . 2 . 1087 . A 175 TYR HB3 . 34120 1 513 . 1 1 46 46 TYR HD1 H 1 6.907 0.014 . 1 . 1226 . A 175 TYR HD1 . 34120 1 514 . 1 1 46 46 TYR HD2 H 1 6.907 0.014 . 1 . 1226 . A 175 TYR HD2 . 34120 1 515 . 1 1 46 46 TYR HE1 H 1 6.778 0.007 . 1 . 1233 . A 175 TYR HE1 . 34120 1 516 . 1 1 46 46 TYR HE2 H 1 6.778 0.007 . 1 . 1233 . A 175 TYR HE2 . 34120 1 517 . 1 1 46 46 TYR C C 13 173.614 0.031 . 1 . 258 . A 175 TYR C . 34120 1 518 . 1 1 46 46 TYR CA C 13 56.412 0.053 . 1 . 219 . A 175 TYR CA . 34120 1 519 . 1 1 46 46 TYR CB C 13 41.313 0.049 . 1 . 218 . A 175 TYR CB . 34120 1 520 . 1 1 46 46 TYR CD1 C 13 134.262 0.045 . 1 . 1225 . A 175 TYR CD1 . 34120 1 521 . 1 1 46 46 TYR CD2 C 13 134.262 0.045 . 1 . 1225 . A 175 TYR CD2 . 34120 1 522 . 1 1 46 46 TYR CE1 C 13 117.963 0.007 . 1 . 1234 . A 175 TYR CE1 . 34120 1 523 . 1 1 46 46 TYR CE2 C 13 117.963 0.007 . 1 . 1234 . A 175 TYR CE2 . 34120 1 524 . 1 1 46 46 TYR N N 15 116.142 0.033 . 1 . 16 . A 175 TYR N . 34120 1 525 . 1 1 47 47 ARG H H 1 8.616 0.009 . 1 . 82 . A 176 ARG H . 34120 1 526 . 1 1 47 47 ARG HA H 1 4.338 0.007 . 1 . 892 . A 176 ARG HA . 34120 1 527 . 1 1 47 47 ARG HB2 H 1 1.837 0.009 . 1 . 1088 . A 176 ARG HB2 . 34120 1 528 . 1 1 47 47 ARG HG2 H 1 1.711 0.003 . 1 . 1091 . A 176 ARG HG2 . 34120 1 529 . 1 1 47 47 ARG HD2 H 1 3.440 0.005 . 2 . 1089 . A 176 ARG HD2 . 34120 1 530 . 1 1 47 47 ARG HD3 H 1 3.262 0.002 . 2 . 1090 . A 176 ARG HD3 . 34120 1 531 . 1 1 47 47 ARG C C 13 176.192 0.015 . 1 . 259 . A 176 ARG C . 34120 1 532 . 1 1 47 47 ARG CA C 13 56.638 0.062 . 1 . 302 . A 176 ARG CA . 34120 1 533 . 1 1 47 47 ARG CB C 13 31.394 0.025 . 1 . 152 . A 176 ARG CB . 34120 1 534 . 1 1 47 47 ARG CG C 13 27.406 0.016 . 1 . 805 . A 176 ARG CG . 34120 1 535 . 1 1 47 47 ARG CD C 13 42.898 0.074 . 1 . 806 . A 176 ARG CD . 34120 1 536 . 1 1 47 47 ARG N N 15 122.013 0.036 . 1 . 83 . A 176 ARG N . 34120 1 537 . 1 1 48 48 ARG H H 1 8.224 0.009 . 1 . 45 . A 177 ARG H . 34120 1 538 . 1 1 48 48 ARG HA H 1 3.985 . . 1 . 1092 . A 177 ARG HA . 34120 1 539 . 1 1 48 48 ARG HB2 H 1 1.812 0.019 . 2 . 2391 . A 177 ARG HB2 . 34120 1 540 . 1 1 48 48 ARG HB3 H 1 1.743 0.004 . 2 . 2392 . A 177 ARG HB3 . 34120 1 541 . 1 1 48 48 ARG C C 13 178.734 . . 1 . 299 . A 177 ARG C . 34120 1 542 . 1 1 48 48 ARG CA C 13 55.687 0.057 . 1 . 214 . A 177 ARG CA . 34120 1 543 . 1 1 48 48 ARG CB C 13 33.403 0.015 . 1 . 185 . A 177 ARG CB . 34120 1 544 . 1 1 48 48 ARG N N 15 125.336 0.029 . 1 . 46 . A 177 ARG N . 34120 1 545 . 1 1 49 49 LYS HA H 1 4.188 0.004 . 1 . 1094 . A 178 LYS HA . 34120 1 546 . 1 1 49 49 LYS HB2 H 1 1.975 0.008 . 2 . 1095 . A 178 LYS HB2 . 34120 1 547 . 1 1 49 49 LYS HB3 H 1 1.936 0.007 . 2 . 1096 . A 178 LYS HB3 . 34120 1 548 . 1 1 49 49 LYS HG2 H 1 1.647 0.004 . 2 . 1101 . A 178 LYS HG2 . 34120 1 549 . 1 1 49 49 LYS HG3 H 1 1.593 0.008 . 2 . 1102 . A 178 LYS HG3 . 34120 1 550 . 1 1 49 49 LYS HD2 H 1 1.768 0.003 . 1 . 1100 . A 178 LYS HD2 . 34120 1 551 . 1 1 49 49 LYS HE2 H 1 3.002 . . 2 . 1098 . A 178 LYS HE2 . 34120 1 552 . 1 1 49 49 LYS HE3 H 1 3.076 0.003 . 2 . 1099 . A 178 LYS HE3 . 34120 1 553 . 1 1 49 49 LYS CA C 13 58.471 0.048 . 1 . 169 . A 178 LYS CA . 34120 1 554 . 1 1 49 49 LYS CB C 13 32.002 0.022 . 1 . 170 . A 178 LYS CB . 34120 1 555 . 1 1 49 49 LYS CG C 13 25.260 0.073 . 1 . 809 . A 178 LYS CG . 34120 1 556 . 1 1 49 49 LYS CD C 13 28.933 0.017 . 1 . 808 . A 178 LYS CD . 34120 1 557 . 1 1 49 49 LYS CE C 13 42.313 0.035 . 1 . 1097 . A 178 LYS CE . 34120 1 558 . 1 1 50 50 ASP H H 1 7.749 0.012 . 1 . 72 . A 179 ASP H . 34120 1 559 . 1 1 50 50 ASP HA H 1 4.524 0.014 . 1 . 895 . A 179 ASP HA . 34120 1 560 . 1 1 50 50 ASP HB2 H 1 2.590 0.017 . 2 . 896 . A 179 ASP HB2 . 34120 1 561 . 1 1 50 50 ASP HB3 H 1 3.096 0.006 . 2 . 897 . A 179 ASP HB3 . 34120 1 562 . 1 1 50 50 ASP C C 13 176.949 0.035 . 1 . 257 . A 179 ASP C . 34120 1 563 . 1 1 50 50 ASP CA C 13 53.025 0.026 . 1 . 190 . A 179 ASP CA . 34120 1 564 . 1 1 50 50 ASP CB C 13 39.891 0.024 . 1 . 191 . A 179 ASP CB . 34120 1 565 . 1 1 50 50 ASP N N 15 115.174 0.008 . 1 . 73 . A 179 ASP N . 34120 1 566 . 1 1 51 51 GLY H H 1 7.769 0.01 . 1 . 107 . A 180 GLY H . 34120 1 567 . 1 1 51 51 GLY HA2 H 1 4.186 0.006 . 2 . 898 . A 180 GLY HA2 . 34120 1 568 . 1 1 51 51 GLY HA3 H 1 3.565 0.006 . 2 . 899 . A 180 GLY HA3 . 34120 1 569 . 1 1 51 51 GLY C C 13 174.384 0.014 . 1 . 256 . A 180 GLY C . 34120 1 570 . 1 1 51 51 GLY CA C 13 45.456 0.028 . 1 . 166 . A 180 GLY CA . 34120 1 571 . 1 1 51 51 GLY N N 15 107.464 0.068 . 1 . 108 . A 180 GLY N . 34120 1 572 . 1 1 52 52 LYS H H 1 7.244 0.015 . 1 . 66 . A 181 LYS H . 34120 1 573 . 1 1 52 52 LYS HA H 1 4.394 0.004 . 1 . 2346 . A 181 LYS HA . 34120 1 574 . 1 1 52 52 LYS HB2 H 1 1.654 0.006 . 2 . 1105 . A 181 LYS HB2 . 34120 1 575 . 1 1 52 52 LYS HB3 H 1 1.810 0.004 . 2 . 1106 . A 181 LYS HB3 . 34120 1 576 . 1 1 52 52 LYS HG2 H 1 1.222 0.011 . 2 . 1109 . A 181 LYS HG2 . 34120 1 577 . 1 1 52 52 LYS HG3 H 1 1.262 0.001 . 2 . 1110 . A 181 LYS HG3 . 34120 1 578 . 1 1 52 52 LYS HD2 H 1 1.502 0.013 . 2 . 1107 . A 181 LYS HD2 . 34120 1 579 . 1 1 52 52 LYS HD3 H 1 1.834 . . 2 . 1108 . A 181 LYS HD3 . 34120 1 580 . 1 1 52 52 LYS C C 13 173.841 0.022 . 1 . 255 . A 181 LYS C . 34120 1 581 . 1 1 52 52 LYS CA C 13 55.186 0.028 . 1 . 159 . A 181 LYS CA . 34120 1 582 . 1 1 52 52 LYS CB C 13 33.290 0.027 . 1 . 1104 . A 181 LYS CB . 34120 1 583 . 1 1 52 52 LYS CG C 13 26.213 0.057 . 1 . 812 . A 181 LYS CG . 34120 1 584 . 1 1 52 52 LYS CD C 13 29.470 0.064 . 1 . 811 . A 181 LYS CD . 34120 1 585 . 1 1 52 52 LYS CE C 13 42.397 . . 1 . 810 . A 181 LYS CE . 34120 1 586 . 1 1 52 52 LYS N N 15 118.711 0.034 . 1 . 67 . A 181 LYS N . 34120 1 587 . 1 1 53 53 TYR H H 1 8.315 0.007 . 1 . 56 . A 182 TYR H . 34120 1 588 . 1 1 53 53 TYR HA H 1 5.118 0.008 . 1 . 901 . A 182 TYR HA . 34120 1 589 . 1 1 53 53 TYR HB2 H 1 2.683 0.014 . 2 . 1111 . A 182 TYR HB2 . 34120 1 590 . 1 1 53 53 TYR HB3 H 1 2.758 0.003 . 2 . 1112 . A 182 TYR HB3 . 34120 1 591 . 1 1 53 53 TYR HD1 H 1 6.901 0.003 . 1 . 1241 . A 182 TYR HD1 . 34120 1 592 . 1 1 53 53 TYR HD2 H 1 6.901 0.003 . 1 . 1241 . A 182 TYR HD2 . 34120 1 593 . 1 1 53 53 TYR HE1 H 1 6.759 0.006 . 1 . 1243 . A 182 TYR HE1 . 34120 1 594 . 1 1 53 53 TYR HE2 H 1 6.759 0.006 . 1 . 1243 . A 182 TYR HE2 . 34120 1 595 . 1 1 53 53 TYR C C 13 175.017 0.034 . 1 . 254 . A 182 TYR C . 34120 1 596 . 1 1 53 53 TYR CA C 13 57.223 0.077 . 1 . 172 . A 182 TYR CA . 34120 1 597 . 1 1 53 53 TYR CB C 13 40.199 0.022 . 1 . 173 . A 182 TYR CB . 34120 1 598 . 1 1 53 53 TYR CD1 C 13 132.915 0.011 . 1 . 1240 . A 182 TYR CD1 . 34120 1 599 . 1 1 53 53 TYR CD2 C 13 132.915 0.011 . 1 . 1240 . A 182 TYR CD2 . 34120 1 600 . 1 1 53 53 TYR CE1 C 13 118.361 0.011 . 1 . 1242 . A 182 TYR CE1 . 34120 1 601 . 1 1 53 53 TYR CE2 C 13 118.361 0.011 . 1 . 1242 . A 182 TYR CE2 . 34120 1 602 . 1 1 53 53 TYR N N 15 117.589 0.027 . 1 . 57 . A 182 TYR N . 34120 1 603 . 1 1 54 54 GLY H H 1 8.713 0.014 . 1 . 84 . A 183 GLY H . 34120 1 604 . 1 1 54 54 GLY HA2 H 1 4.972 0.015 . 2 . 904 . A 183 GLY HA2 . 34120 1 605 . 1 1 54 54 GLY HA3 H 1 2.633 0.016 . 2 . 905 . A 183 GLY HA3 . 34120 1 606 . 1 1 54 54 GLY C C 13 171.727 0.0 . 1 . 253 . A 183 GLY C . 34120 1 607 . 1 1 54 54 GLY CA C 13 43.336 0.021 . 1 . 135 . A 183 GLY CA . 34120 1 608 . 1 1 54 54 GLY N N 15 109.659 0.043 . 1 . 85 . A 183 GLY N . 34120 1 609 . 1 1 55 55 LEU H H 1 7.723 0.008 . 1 . 10 . A 184 LEU H . 34120 1 610 . 1 1 55 55 LEU HA H 1 5.505 0.004 . 1 . 906 . A 184 LEU HA . 34120 1 611 . 1 1 55 55 LEU HB2 H 1 1.512 0.01 . 2 . 907 . A 184 LEU HB2 . 34120 1 612 . 1 1 55 55 LEU HB3 H 1 1.319 0.011 . 2 . 1113 . A 184 LEU HB3 . 34120 1 613 . 1 1 55 55 LEU HG H 1 1.378 0.01 . 1 . 1115 . A 184 LEU HG . 34120 1 614 . 1 1 55 55 LEU HD11 H 1 0.920 0.004 . 2 . 1116 . A 184 LEU HD11 . 34120 1 615 . 1 1 55 55 LEU HD12 H 1 0.920 0.004 . 2 . 1116 . A 184 LEU HD12 . 34120 1 616 . 1 1 55 55 LEU HD13 H 1 0.920 0.004 . 2 . 1116 . A 184 LEU HD13 . 34120 1 617 . 1 1 55 55 LEU HD21 H 1 1.054 0.004 . 2 . 1117 . A 184 LEU HD21 . 34120 1 618 . 1 1 55 55 LEU HD22 H 1 1.054 0.004 . 2 . 1117 . A 184 LEU HD22 . 34120 1 619 . 1 1 55 55 LEU HD23 H 1 1.054 0.004 . 2 . 1117 . A 184 LEU HD23 . 34120 1 620 . 1 1 55 55 LEU C C 13 175.137 0.0 . 1 . 252 . A 184 LEU C . 34120 1 621 . 1 1 55 55 LEU CA C 13 53.666 0.046 . 1 . 183 . A 184 LEU CA . 34120 1 622 . 1 1 55 55 LEU CB C 13 46.895 0.043 . 1 . 184 . A 184 LEU CB . 34120 1 623 . 1 1 55 55 LEU CG C 13 28.463 0.011 . 1 . 1114 . A 184 LEU CG . 34120 1 624 . 1 1 55 55 LEU CD1 C 13 26.320 0.033 . 2 . 814 . A 184 LEU CD1 . 34120 1 625 . 1 1 55 55 LEU CD2 C 13 24.194 0.053 . 2 . 815 . A 184 LEU CD2 . 34120 1 626 . 1 1 55 55 LEU N N 15 120.282 0.056 . 1 . 11 . A 184 LEU N . 34120 1 627 . 1 1 56 56 ILE H H 1 9.604 0.009 . 1 . 99 . A 185 ILE H . 34120 1 628 . 1 1 56 56 ILE HA H 1 4.477 0.008 . 1 . 1118 . A 185 ILE HA . 34120 1 629 . 1 1 56 56 ILE HB H 1 1.760 0.004 . 1 . 1119 . A 185 ILE HB . 34120 1 630 . 1 1 56 56 ILE HG12 H 1 1.748 0.017 . 2 . 1120 . A 185 ILE HG12 . 34120 1 631 . 1 1 56 56 ILE HG13 H 1 1.086 0.012 . 2 . 1121 . A 185 ILE HG13 . 34120 1 632 . 1 1 56 56 ILE HG21 H 1 0.611 0.013 . 1 . 1123 . A 185 ILE HG21 . 34120 1 633 . 1 1 56 56 ILE HG22 H 1 0.611 0.013 . 1 . 1123 . A 185 ILE HG22 . 34120 1 634 . 1 1 56 56 ILE HG23 H 1 0.611 0.013 . 1 . 1123 . A 185 ILE HG23 . 34120 1 635 . 1 1 56 56 ILE HD11 H 1 0.704 0.02 . 1 . 1124 . A 185 ILE HD11 . 34120 1 636 . 1 1 56 56 ILE HD12 H 1 0.704 0.02 . 1 . 1124 . A 185 ILE HD12 . 34120 1 637 . 1 1 56 56 ILE HD13 H 1 0.704 0.02 . 1 . 1124 . A 185 ILE HD13 . 34120 1 638 . 1 1 56 56 ILE C C 13 175.012 0.041 . 1 . 251 . A 185 ILE C . 34120 1 639 . 1 1 56 56 ILE CA C 13 60.434 0.05 . 1 . 181 . A 185 ILE CA . 34120 1 640 . 1 1 56 56 ILE CB C 13 40.879 0.039 . 1 . 182 . A 185 ILE CB . 34120 1 641 . 1 1 56 56 ILE CG1 C 13 27.786 0.034 . 1 . 816 . A 185 ILE CG1 . 34120 1 642 . 1 1 56 56 ILE CG2 C 13 17.009 0.031 . 1 . 1122 . A 185 ILE CG2 . 34120 1 643 . 1 1 56 56 ILE CD1 C 13 14.622 0.023 . 1 . 818 . A 185 ILE CD1 . 34120 1 644 . 1 1 56 56 ILE N N 15 128.516 0.045 . 1 . 100 . A 185 ILE N . 34120 1 645 . 1 1 57 57 GLN H H 1 8.736 0.013 . 1 . 97 . A 186 GLN H . 34120 1 646 . 1 1 57 57 GLN HA H 1 4.982 0.003 . 1 . 1125 . A 186 GLN HA . 34120 1 647 . 1 1 57 57 GLN HG2 H 1 2.150 0.008 . 2 . 1128 . A 186 GLN HG2 . 34120 1 648 . 1 1 57 57 GLN HG3 H 1 2.379 0.005 . 2 . 1129 . A 186 GLN HG3 . 34120 1 649 . 1 1 57 57 GLN HE21 H 1 8.245 0.02 . 1 . 76 . A 186 GLN HE21 . 34120 1 650 . 1 1 57 57 GLN HE22 H 1 7.016 0.008 . 1 . 118 . A 186 GLN HE22 . 34120 1 651 . 1 1 57 57 GLN C C 13 176.078 0.01 . 1 . 250 . A 186 GLN C . 34120 1 652 . 1 1 57 57 GLN CA C 13 54.610 0.029 . 1 . 171 . A 186 GLN CA . 34120 1 653 . 1 1 57 57 GLN CB C 13 30.732 0.034 . 1 . 230 . A 186 GLN CB . 34120 1 654 . 1 1 57 57 GLN CG C 13 34.158 0.015 . 1 . 1127 . A 186 GLN CG . 34120 1 655 . 1 1 57 57 GLN N N 15 126.194 0.041 . 1 . 98 . A 186 GLN N . 34120 1 656 . 1 1 57 57 GLN NE2 N 15 114.931 0.138 . 1 . 77 . A 186 GLN NE2 . 34120 1 657 . 1 1 58 58 THR H H 1 7.869 0.006 . 1 . 78 . A 187 THR H . 34120 1 658 . 1 1 58 58 THR HA H 1 4.420 0.006 . 1 . 910 . A 187 THR HA . 34120 1 659 . 1 1 58 58 THR HB H 1 4.198 0.004 . 1 . 911 . A 187 THR HB . 34120 1 660 . 1 1 58 58 THR HG21 H 1 0.935 0.002 . 1 . 1130 . A 187 THR HG21 . 34120 1 661 . 1 1 58 58 THR HG22 H 1 0.935 0.002 . 1 . 1130 . A 187 THR HG22 . 34120 1 662 . 1 1 58 58 THR HG23 H 1 0.935 0.002 . 1 . 1130 . A 187 THR HG23 . 34120 1 663 . 1 1 58 58 THR C C 13 174.270 0.024 . 1 . 249 . A 187 THR C . 34120 1 664 . 1 1 58 58 THR CA C 13 62.416 0.067 . 1 . 308 . A 187 THR CA . 34120 1 665 . 1 1 58 58 THR CB C 13 69.588 0.05 . 1 . 161 . A 187 THR CB . 34120 1 666 . 1 1 58 58 THR CG2 C 13 21.286 0.022 . 1 . 820 . A 187 THR CG2 . 34120 1 667 . 1 1 58 58 THR N N 15 113.729 0.033 . 1 . 79 . A 187 THR N . 34120 1 668 . 1 1 59 59 SER H H 1 8.131 0.008 . 1 . 60 . A 188 SER H . 34120 1 669 . 1 1 59 59 SER HA H 1 4.526 0.001 . 1 . 1131 . A 188 SER HA . 34120 1 670 . 1 1 59 59 SER HB2 H 1 3.825 0.009 . 2 . 1133 . A 188 SER HB2 . 34120 1 671 . 1 1 59 59 SER HB3 H 1 3.787 0.002 . 2 . 1134 . A 188 SER HB3 . 34120 1 672 . 1 1 59 59 SER C C 13 174.144 0.019 . 1 . 248 . A 188 SER C . 34120 1 673 . 1 1 59 59 SER CA C 13 58.014 0.032 . 1 . 176 . A 188 SER CA . 34120 1 674 . 1 1 59 59 SER CB C 13 64.313 0.025 . 1 . 1132 . A 188 SER CB . 34120 1 675 . 1 1 59 59 SER N N 15 115.602 0.039 . 1 . 61 . A 188 SER N . 34120 1 676 . 1 1 60 60 GLU H H 1 8.361 0.012 . 1 . 89 . A 189 GLU H . 34120 1 677 . 1 1 60 60 GLU HA H 1 4.319 0.022 . 1 . 1136 . A 189 GLU HA . 34120 1 678 . 1 1 60 60 GLU HB2 H 1 2.005 0.006 . 2 . 914 . A 189 GLU HB2 . 34120 1 679 . 1 1 60 60 GLU HB3 H 1 1.897 0.016 . 2 . 1137 . A 189 GLU HB3 . 34120 1 680 . 1 1 60 60 GLU HG2 H 1 2.235 0.003 . 2 . 915 . A 189 GLU HG2 . 34120 1 681 . 1 1 60 60 GLU HG3 H 1 2.124 . . 2 . 1138 . A 189 GLU HG3 . 34120 1 682 . 1 1 60 60 GLU C C 13 176.298 0.017 . 1 . 246 . A 189 GLU C . 34120 1 683 . 1 1 60 60 GLU CA C 13 56.539 0.041 . 1 . 1135 . A 189 GLU CA . 34120 1 684 . 1 1 60 60 GLU CB C 13 30.495 0.051 . 1 . 133 . A 189 GLU CB . 34120 1 685 . 1 1 60 60 GLU CG C 13 36.360 0.017 . 1 . 821 . A 189 GLU CG . 34120 1 686 . 1 1 60 60 GLU N N 15 122.199 0.027 . 1 . 90 . A 189 GLU N . 34120 1 687 . 1 1 61 61 GLN H H 1 8.302 0.01 . 1 . 7 . A 190 GLN H . 34120 1 688 . 1 1 61 61 GLN HA H 1 4.234 0.004 . 1 . 1139 . A 190 GLN HA . 34120 1 689 . 1 1 61 61 GLN HB2 H 1 1.937 . . 1 . 1140 . A 190 GLN HB2 . 34120 1 690 . 1 1 61 61 GLN HG2 H 1 2.224 0.006 . 1 . 1158 . A 190 GLN HG2 . 34120 1 691 . 1 1 61 61 GLN HE21 H 1 7.417 0.007 . 1 . 12 . A 190 GLN HE21 . 34120 1 692 . 1 1 61 61 GLN HE22 H 1 6.785 0.007 . 1 . 44 . A 190 GLN HE22 . 34120 1 693 . 1 1 61 61 GLN C C 13 175.716 . . 1 . 247 . A 190 GLN C . 34120 1 694 . 1 1 61 61 GLN CA C 13 55.972 0.067 . 1 . 232 . A 190 GLN CA . 34120 1 695 . 1 1 61 61 GLN CB C 13 29.521 0.027 . 1 . 231 . A 190 GLN CB . 34120 1 696 . 1 1 61 61 GLN CG C 13 33.753 0.017 . 1 . 1159 . A 190 GLN CG . 34120 1 697 . 1 1 61 61 GLN N N 15 120.668 0.025 . 1 . 8 . A 190 GLN N . 34120 1 698 . 1 1 61 61 GLN NE2 N 15 111.670 0.043 . 1 . 109 . A 190 GLN NE2 . 34120 1 699 . 2 1 2 2 ILE HA H 1 4.277 0.006 . 1 . 1444 . B 131 ILE HA . 34120 1 700 . 2 1 2 2 ILE HB H 1 1.784 0.003 . 1 . 1445 . B 131 ILE HB . 34120 1 701 . 2 1 2 2 ILE HG12 H 1 1.071 0.011 . 2 . 1440 . B 131 ILE HG12 . 34120 1 702 . 2 1 2 2 ILE HG13 H 1 1.471 0.005 . 2 . 1441 . B 131 ILE HG13 . 34120 1 703 . 2 1 2 2 ILE HG21 H 1 0.775 0.007 . 1 . 1437 . B 131 ILE HG21 . 34120 1 704 . 2 1 2 2 ILE HG22 H 1 0.775 0.007 . 1 . 1437 . B 131 ILE HG22 . 34120 1 705 . 2 1 2 2 ILE HG23 H 1 0.775 0.007 . 1 . 1437 . B 131 ILE HG23 . 34120 1 706 . 2 1 2 2 ILE HD11 H 1 0.692 0.01 . 1 . 1435 . B 131 ILE HD11 . 34120 1 707 . 2 1 2 2 ILE HD12 H 1 0.692 0.01 . 1 . 1435 . B 131 ILE HD12 . 34120 1 708 . 2 1 2 2 ILE HD13 H 1 0.692 0.01 . 1 . 1435 . B 131 ILE HD13 . 34120 1 709 . 2 1 2 2 ILE C C 13 174.775 . . 1 . 1436 . B 131 ILE C . 34120 1 710 . 2 1 2 2 ILE CA C 13 61.134 0.069 . 1 . 1439 . B 131 ILE CA . 34120 1 711 . 2 1 2 2 ILE CB C 13 39.171 0.082 . 1 . 1438 . B 131 ILE CB . 34120 1 712 . 2 1 2 2 ILE CG1 C 13 27.173 0.017 . 1 . 1433 . B 131 ILE CG1 . 34120 1 713 . 2 1 2 2 ILE CG2 C 13 17.843 0.032 . 1 . 1434 . B 131 ILE CG2 . 34120 1 714 . 2 1 2 2 ILE CD1 C 13 13.154 0.043 . 1 . 1432 . B 131 ILE CD1 . 34120 1 715 . 2 1 3 3 GLU H H 1 8.594 0.011 . 1 . 1643 . B 132 GLU H . 34120 1 716 . 2 1 3 3 GLU HA H 1 4.468 0.005 . 1 . 1639 . B 132 GLU HA . 34120 1 717 . 2 1 3 3 GLU HB2 H 1 1.979 0.011 . 1 . 1648 . B 132 GLU HB2 . 34120 1 718 . 2 1 3 3 GLU C C 13 174.233 0.0 . 1 . 1640 . B 132 GLU C . 34120 1 719 . 2 1 3 3 GLU CA C 13 56.258 0.095 . 1 . 1645 . B 132 GLU CA . 34120 1 720 . 2 1 3 3 GLU CB C 13 31.275 0.036 . 1 . 1646 . B 132 GLU CB . 34120 1 721 . 2 1 3 3 GLU CG C 13 37.060 . . 1 . 1647 . B 132 GLU CG . 34120 1 722 . 2 1 3 3 GLU N N 15 127.799 0.017 . 1 . 1637 . B 132 GLU N . 34120 1 723 . 2 1 4 4 ILE H H 1 8.287 0.007 . 1 . 2046 . B 133 ILE H . 34120 1 724 . 2 1 4 4 ILE HA H 1 4.672 0.028 . 1 . 2038 . B 133 ILE HA . 34120 1 725 . 2 1 4 4 ILE HB H 1 1.673 0.016 . 1 . 2049 . B 133 ILE HB . 34120 1 726 . 2 1 4 4 ILE HG12 H 1 1.939 0.003 . 2 . 2044 . B 133 ILE HG12 . 34120 1 727 . 2 1 4 4 ILE HG13 H 1 2.214 0.012 . 2 . 2045 . B 133 ILE HG13 . 34120 1 728 . 2 1 4 4 ILE HG21 H 1 0.676 0.011 . 1 . 2041 . B 133 ILE HG21 . 34120 1 729 . 2 1 4 4 ILE HG22 H 1 0.676 0.011 . 1 . 2041 . B 133 ILE HG22 . 34120 1 730 . 2 1 4 4 ILE HG23 H 1 0.676 0.011 . 1 . 2041 . B 133 ILE HG23 . 34120 1 731 . 2 1 4 4 ILE C C 13 175.600 0.0 . 1 . 2040 . B 133 ILE C . 34120 1 732 . 2 1 4 4 ILE CA C 13 60.133 0.033 . 1 . 2043 . B 133 ILE CA . 34120 1 733 . 2 1 4 4 ILE CB C 13 39.715 0.018 . 1 . 2042 . B 133 ILE CB . 34120 1 734 . 2 1 4 4 ILE CG1 C 13 27.947 0.085 . 1 . 2037 . B 133 ILE CG1 . 34120 1 735 . 2 1 4 4 ILE CG2 C 13 18.912 0.059 . 1 . 2047 . B 133 ILE CG2 . 34120 1 736 . 2 1 4 4 ILE CD1 C 13 13.669 0.096 . 1 . 2036 . B 133 ILE CD1 . 34120 1 737 . 2 1 4 4 ILE N N 15 125.464 0.029 . 1 . 2035 . B 133 ILE N . 34120 1 738 . 2 1 5 5 ILE H H 1 9.240 0.008 . 1 . 1520 . B 134 ILE H . 34120 1 739 . 2 1 5 5 ILE HA H 1 4.364 0.006 . 1 . 1512 . B 134 ILE HA . 34120 1 740 . 2 1 5 5 ILE HB H 1 1.803 0.004 . 1 . 1523 . B 134 ILE HB . 34120 1 741 . 2 1 5 5 ILE HG12 H 1 1.229 0.004 . 2 . 1518 . B 134 ILE HG12 . 34120 1 742 . 2 1 5 5 ILE HG13 H 1 1.390 0.006 . 2 . 1519 . B 134 ILE HG13 . 34120 1 743 . 2 1 5 5 ILE HG21 H 1 0.914 0.005 . 1 . 1515 . B 134 ILE HG21 . 34120 1 744 . 2 1 5 5 ILE HG22 H 1 0.914 0.005 . 1 . 1515 . B 134 ILE HG22 . 34120 1 745 . 2 1 5 5 ILE HG23 H 1 0.914 0.005 . 1 . 1515 . B 134 ILE HG23 . 34120 1 746 . 2 1 5 5 ILE HD11 H 1 0.780 0.001 . 1 . 1513 . B 134 ILE HD11 . 34120 1 747 . 2 1 5 5 ILE HD12 H 1 0.780 0.001 . 1 . 1513 . B 134 ILE HD12 . 34120 1 748 . 2 1 5 5 ILE HD13 H 1 0.780 0.001 . 1 . 1513 . B 134 ILE HD13 . 34120 1 749 . 2 1 5 5 ILE C C 13 176.297 . . 1 . 1514 . B 134 ILE C . 34120 1 750 . 2 1 5 5 ILE CA C 13 59.787 0.063 . 1 . 1517 . B 134 ILE CA . 34120 1 751 . 2 1 5 5 ILE CB C 13 39.366 0.07 . 1 . 1516 . B 134 ILE CB . 34120 1 752 . 2 1 5 5 ILE CG1 C 13 27.462 0.014 . 1 . 1511 . B 134 ILE CG1 . 34120 1 753 . 2 1 5 5 ILE CG2 C 13 17.624 0.037 . 1 . 1521 . B 134 ILE CG2 . 34120 1 754 . 2 1 5 5 ILE CD1 C 13 12.698 0.053 . 1 . 1510 . B 134 ILE CD1 . 34120 1 755 . 2 1 5 5 ILE N N 15 129.283 0.041 . 1 . 1509 . B 134 ILE N . 34120 1 756 . 2 1 6 6 ARG H H 1 8.959 0.012 . 1 . 1281 . B 135 ARG H . 34120 1 757 . 2 1 6 6 ARG HA H 1 4.718 0.018 . 1 . 1291 . B 135 ARG HA . 34120 1 758 . 2 1 6 6 ARG HB2 H 1 1.890 0.0 . 2 . 1286 . B 135 ARG HB2 . 34120 1 759 . 2 1 6 6 ARG HB3 H 1 1.809 0.019 . 2 . 1287 . B 135 ARG HB3 . 34120 1 760 . 2 1 6 6 ARG HG2 H 1 1.612 0.001 . 2 . 1274 . B 135 ARG HG2 . 34120 1 761 . 2 1 6 6 ARG HG3 H 1 1.761 0.006 . 2 . 1275 . B 135 ARG HG3 . 34120 1 762 . 2 1 6 6 ARG HD2 H 1 3.242 0.005 . 1 . 1267 . B 135 ARG HD2 . 34120 1 763 . 2 1 6 6 ARG C C 13 176.331 0.024 . 1 . 1276 . B 135 ARG C . 34120 1 764 . 2 1 6 6 ARG CA C 13 57.073 0.104 . 1 . 1269 . B 135 ARG CA . 34120 1 765 . 2 1 6 6 ARG CB C 13 30.438 0.016 . 1 . 1285 . B 135 ARG CB . 34120 1 766 . 2 1 6 6 ARG CG C 13 28.511 0.014 . 1 . 1271 . B 135 ARG CG . 34120 1 767 . 2 1 6 6 ARG CD C 13 43.379 0.023 . 1 . 1289 . B 135 ARG CD . 34120 1 768 . 2 1 6 6 ARG N N 15 129.692 0.055 . 1 . 1279 . B 135 ARG N . 34120 1 769 . 2 1 7 7 SER H H 1 8.808 0.009 . 1 . 1544 . B 136 SER H . 34120 1 770 . 2 1 7 7 SER HA H 1 4.453 0.002 . 1 . 2376 . B 136 SER HA . 34120 1 771 . 2 1 7 7 SER HB2 H 1 3.996 0.007 . 1 . 1548 . B 136 SER HB2 . 34120 1 772 . 2 1 7 7 SER C C 13 174.672 . . 1 . 1541 . B 136 SER C . 34120 1 773 . 2 1 7 7 SER CA C 13 57.571 0.008 . 1 . 2373 . B 136 SER CA . 34120 1 774 . 2 1 7 7 SER CB C 13 64.722 0.01 . 1 . 1547 . B 136 SER CB . 34120 1 775 . 2 1 7 7 SER N N 15 119.700 0.028 . 1 . 1540 . B 136 SER N . 34120 1 776 . 2 1 8 8 LYS HA H 1 4.585 0.006 . 1 . 1383 . B 137 LYS HA . 34120 1 777 . 2 1 8 8 LYS HB2 H 1 1.949 0.002 . 2 . 1380 . B 137 LYS HB2 . 34120 1 778 . 2 1 8 8 LYS HB3 H 1 1.752 0.002 . 2 . 1381 . B 137 LYS HB3 . 34120 1 779 . 2 1 8 8 LYS HG2 H 1 1.480 0.006 . 2 . 1368 . B 137 LYS HG2 . 34120 1 780 . 2 1 8 8 LYS HG3 H 1 1.452 0.009 . 2 . 1369 . B 137 LYS HG3 . 34120 1 781 . 2 1 8 8 LYS HD2 H 1 1.700 0.002 . 1 . 1361 . B 137 LYS HD2 . 34120 1 782 . 2 1 8 8 LYS CA C 13 56.156 0.044 . 1 . 1363 . B 137 LYS CA . 34120 1 783 . 2 1 8 8 LYS CB C 13 32.999 0.023 . 1 . 1377 . B 137 LYS CB . 34120 1 784 . 2 1 8 8 LYS CG C 13 24.802 0.018 . 1 . 1366 . B 137 LYS CG . 34120 1 785 . 2 1 8 8 LYS CD C 13 29.226 0.02 . 1 . 1373 . B 137 LYS CD . 34120 1 786 . 2 1 9 9 GLU H H 1 8.481 0.009 . 1 . 2103 . B 138 GLU H . 34120 1 787 . 2 1 9 9 GLU HA H 1 4.201 0.014 . 1 . 2097 . B 138 GLU HA . 34120 1 788 . 2 1 9 9 GLU HB2 H 1 1.851 0.001 . 2 . 2109 . B 138 GLU HB2 . 34120 1 789 . 2 1 9 9 GLU HB3 H 1 1.922 0.013 . 2 . 2110 . B 138 GLU HB3 . 34120 1 790 . 2 1 9 9 GLU HG2 H 1 2.191 . . 2 . 2098 . B 138 GLU HG2 . 34120 1 791 . 2 1 9 9 GLU HG3 H 1 2.227 0.018 . 2 . 2099 . B 138 GLU HG3 . 34120 1 792 . 2 1 9 9 GLU C C 13 175.384 0.0 . 1 . 2100 . B 138 GLU C . 34120 1 793 . 2 1 9 9 GLU CA C 13 57.035 0.028 . 1 . 2105 . B 138 GLU CA . 34120 1 794 . 2 1 9 9 GLU CB C 13 29.809 0.027 . 1 . 2106 . B 138 GLU CB . 34120 1 795 . 2 1 9 9 GLU CG C 13 36.282 0.037 . 1 . 2107 . B 138 GLU CG . 34120 1 796 . 2 1 9 9 GLU N N 15 120.386 0.036 . 1 . 2096 . B 138 GLU N . 34120 1 797 . 2 1 10 10 PHE H H 1 7.867 0.007 . 1 . 2143 . B 139 PHE H . 34120 1 798 . 2 1 10 10 PHE HA H 1 4.595 0.002 . 1 . 2133 . B 139 PHE HA . 34120 1 799 . 2 1 10 10 PHE HB2 H 1 2.952 0.003 . 2 . 2134 . B 139 PHE HB2 . 34120 1 800 . 2 1 10 10 PHE HB3 H 1 2.846 0.002 . 2 . 2135 . B 139 PHE HB3 . 34120 1 801 . 2 1 10 10 PHE HD1 H 1 7.009 0.003 . 1 . 2137 . B 139 PHE HD1 . 34120 1 802 . 2 1 10 10 PHE HD2 H 1 7.009 0.003 . 1 . 2137 . B 139 PHE HD2 . 34120 1 803 . 2 1 10 10 PHE C C 13 174.915 0.018 . 1 . 2136 . B 139 PHE C . 34120 1 804 . 2 1 10 10 PHE CA C 13 57.215 0.014 . 1 . 2142 . B 139 PHE CA . 34120 1 805 . 2 1 10 10 PHE CB C 13 39.632 0.055 . 1 . 2139 . B 139 PHE CB . 34120 1 806 . 2 1 10 10 PHE CD1 C 13 131.740 0.017 . 1 . 2147 . B 139 PHE CD1 . 34120 1 807 . 2 1 10 10 PHE CD2 C 13 131.740 0.017 . 1 . 2147 . B 139 PHE CD2 . 34120 1 808 . 2 1 10 10 PHE N N 15 119.985 0.025 . 1 . 2131 . B 139 PHE N . 34120 1 809 . 2 1 11 11 SER H H 1 8.108 0.011 . 1 . 1582 . B 140 SER H . 34120 1 810 . 2 1 11 11 SER HA H 1 4.412 . . 1 . 1578 . B 140 SER HA . 34120 1 811 . 2 1 11 11 SER HB2 H 1 3.790 0.002 . 2 . 1586 . B 140 SER HB2 . 34120 1 812 . 2 1 11 11 SER HB3 H 1 3.831 0.0 . 2 . 1587 . B 140 SER HB3 . 34120 1 813 . 2 1 11 11 SER C C 13 174.038 . . 1 . 1579 . B 140 SER C . 34120 1 814 . 2 1 11 11 SER CA C 13 57.498 0.045 . 1 . 1584 . B 140 SER CA . 34120 1 815 . 2 1 11 11 SER CB C 13 64.261 0.067 . 1 . 1585 . B 140 SER CB . 34120 1 816 . 2 1 11 11 SER N N 15 117.339 0.064 . 1 . 1577 . B 140 SER N . 34120 1 817 . 2 1 12 12 LEU H H 1 8.479 0.015 . 1 . 1472 . B 141 LEU H . 34120 1 818 . 2 1 12 12 LEU HA H 1 4.371 0.01 . 1 . 1463 . B 141 LEU HA . 34120 1 819 . 2 1 12 12 LEU HB2 H 1 1.541 0.006 . 2 . 1479 . B 141 LEU HB2 . 34120 1 820 . 2 1 12 12 LEU HB3 H 1 1.728 0.005 . 2 . 1480 . B 141 LEU HB3 . 34120 1 821 . 2 1 12 12 LEU HG H 1 1.527 0.02 . 1 . 1470 . B 141 LEU HG . 34120 1 822 . 2 1 12 12 LEU HD11 H 1 0.812 0.012 . 2 . 1477 . B 141 LEU HD11 . 34120 1 823 . 2 1 12 12 LEU HD12 H 1 0.812 0.012 . 2 . 1477 . B 141 LEU HD12 . 34120 1 824 . 2 1 12 12 LEU HD13 H 1 0.812 0.012 . 2 . 1477 . B 141 LEU HD13 . 34120 1 825 . 2 1 12 12 LEU HD21 H 1 0.708 0.007 . 2 . 1476 . B 141 LEU HD21 . 34120 1 826 . 2 1 12 12 LEU HD22 H 1 0.708 0.007 . 2 . 1476 . B 141 LEU HD22 . 34120 1 827 . 2 1 12 12 LEU HD23 H 1 0.708 0.007 . 2 . 1476 . B 141 LEU HD23 . 34120 1 828 . 2 1 12 12 LEU C C 13 176.773 . . 1 . 1469 . B 141 LEU C . 34120 1 829 . 2 1 12 12 LEU CA C 13 55.080 0.075 . 1 . 1474 . B 141 LEU CA . 34120 1 830 . 2 1 12 12 LEU CB C 13 42.118 0.056 . 1 . 1475 . B 141 LEU CB . 34120 1 831 . 2 1 12 12 LEU CG C 13 27.255 0.043 . 1 . 1478 . B 141 LEU CG . 34120 1 832 . 2 1 12 12 LEU CD1 C 13 25.406 0.008 . 2 . 1468 . B 141 LEU CD1 . 34120 1 833 . 2 1 12 12 LEU CD2 C 13 23.959 0.033 . 2 . 1467 . B 141 LEU CD2 . 34120 1 834 . 2 1 12 12 LEU N N 15 125.160 0.059 . 1 . 1461 . B 141 LEU N . 34120 1 835 . 2 1 13 13 LYS H H 1 8.363 0.006 . 1 . 1350 . B 142 LYS H . 34120 1 836 . 2 1 13 13 LYS C C 13 174.337 . . 1 . 1346 . B 142 LYS C . 34120 1 837 . 2 1 13 13 LYS CA C 13 53.762 0.027 . 1 . 1352 . B 142 LYS CA . 34120 1 838 . 2 1 13 13 LYS CB C 13 33.628 . . 1 . 1349 . B 142 LYS CB . 34120 1 839 . 2 1 13 13 LYS N N 15 123.558 0.055 . 1 . 1345 . B 142 LYS N . 34120 1 840 . 2 1 14 14 PRO HA H 1 5.322 0.007 . 1 . 1915 . B 143 PRO HA . 34120 1 841 . 2 1 14 14 PRO HB2 H 1 2.055 0.013 . 2 . 1927 . B 143 PRO HB2 . 34120 1 842 . 2 1 14 14 PRO HB3 H 1 1.807 0.008 . 2 . 1928 . B 143 PRO HB3 . 34120 1 843 . 2 1 14 14 PRO HG2 H 1 0.739 . . 2 . 1916 . B 143 PRO HG2 . 34120 1 844 . 2 1 14 14 PRO HG3 H 1 1.504 . . 2 . 1917 . B 143 PRO HG3 . 34120 1 845 . 2 1 14 14 PRO HD2 H 1 3.945 0.001 . 2 . 1913 . B 143 PRO HD2 . 34120 1 846 . 2 1 14 14 PRO HD3 H 1 3.645 0.003 . 2 . 1914 . B 143 PRO HD3 . 34120 1 847 . 2 1 14 14 PRO C C 13 177.193 . . 1 . 1918 . B 143 PRO C . 34120 1 848 . 2 1 14 14 PRO CA C 13 62.061 0.063 . 1 . 1924 . B 143 PRO CA . 34120 1 849 . 2 1 14 14 PRO CB C 13 31.886 0.067 . 1 . 1921 . B 143 PRO CB . 34120 1 850 . 2 1 14 14 PRO CG C 13 27.946 0.072 . 1 . 1926 . B 143 PRO CG . 34120 1 851 . 2 1 14 14 PRO CD C 13 50.793 0.04 . 1 . 1912 . B 143 PRO CD . 34120 1 852 . 2 1 15 15 MET H H 1 9.294 0.011 . 1 . 2024 . B 144 MET H . 34120 1 853 . 2 1 15 15 MET HA H 1 4.780 0.007 . 1 . 2018 . B 144 MET HA . 34120 1 854 . 2 1 15 15 MET HB2 H 1 2.336 0.001 . 2 . 2031 . B 144 MET HB2 . 34120 1 855 . 2 1 15 15 MET HB3 H 1 1.931 0.01 . 2 . 2032 . B 144 MET HB3 . 34120 1 856 . 2 1 15 15 MET HG2 H 1 2.417 0.012 . 2 . 2019 . B 144 MET HG2 . 34120 1 857 . 2 1 15 15 MET HG3 H 1 2.487 0.001 . 2 . 2020 . B 144 MET HG3 . 34120 1 858 . 2 1 15 15 MET C C 13 174.617 0.02 . 1 . 2021 . B 144 MET C . 34120 1 859 . 2 1 15 15 MET CA C 13 55.485 0.024 . 1 . 2027 . B 144 MET CA . 34120 1 860 . 2 1 15 15 MET CB C 13 36.627 0.022 . 1 . 2028 . B 144 MET CB . 34120 1 861 . 2 1 15 15 MET CG C 13 31.545 0.023 . 1 . 2022 . B 144 MET CG . 34120 1 862 . 2 1 15 15 MET N N 15 120.434 0.03 . 1 . 2017 . B 144 MET N . 34120 1 863 . 2 1 16 16 ASP H H 1 8.577 0.008 . 1 . 1702 . B 145 ASP H . 34120 1 864 . 2 1 16 16 ASP HA H 1 5.305 0.003 . 1 . 1696 . B 145 ASP HA . 34120 1 865 . 2 1 16 16 ASP HB2 H 1 3.052 0.015 . 2 . 1704 . B 145 ASP HB2 . 34120 1 866 . 2 1 16 16 ASP HB3 H 1 2.741 0.006 . 2 . 1705 . B 145 ASP HB3 . 34120 1 867 . 2 1 16 16 ASP C C 13 177.235 . . 1 . 1697 . B 145 ASP C . 34120 1 868 . 2 1 16 16 ASP CA C 13 52.642 0.056 . 1 . 1701 . B 145 ASP CA . 34120 1 869 . 2 1 16 16 ASP CB C 13 42.749 0.024 . 1 . 1699 . B 145 ASP CB . 34120 1 870 . 2 1 16 16 ASP N N 15 119.785 0.027 . 1 . 1695 . B 145 ASP N . 34120 1 871 . 2 1 17 17 SER H H 1 9.020 0.005 . 1 . 2309 . B 146 SER H . 34120 1 872 . 2 1 17 17 SER HA H 1 3.721 0.016 . 1 . 2305 . B 146 SER HA . 34120 1 873 . 2 1 17 17 SER HB2 H 1 4.011 0.006 . 2 . 2313 . B 146 SER HB2 . 34120 1 874 . 2 1 17 17 SER HB3 H 1 3.753 0.006 . 2 . 2314 . B 146 SER HB3 . 34120 1 875 . 2 1 17 17 SER C C 13 175.471 0.042 . 1 . 2306 . B 146 SER C . 34120 1 876 . 2 1 17 17 SER CA C 13 62.277 0.047 . 1 . 2311 . B 146 SER CA . 34120 1 877 . 2 1 17 17 SER CB C 13 63.009 0.053 . 1 . 2312 . B 146 SER CB . 34120 1 878 . 2 1 17 17 SER N N 15 115.543 0.057 . 1 . 2304 . B 146 SER N . 34120 1 879 . 2 1 18 18 GLU H H 1 8.027 0.012 . 1 . 2299 . B 147 GLU H . 34120 1 880 . 2 1 18 18 GLU HA H 1 3.671 0.005 . 1 . 2289 . B 147 GLU HA . 34120 1 881 . 2 1 18 18 GLU HB2 H 1 1.960 0.0 . 2 . 2301 . B 147 GLU HB2 . 34120 1 882 . 2 1 18 18 GLU HB3 H 1 1.718 0.009 . 2 . 2302 . B 147 GLU HB3 . 34120 1 883 . 2 1 18 18 GLU HG2 H 1 2.095 0.017 . 2 . 2290 . B 147 GLU HG2 . 34120 1 884 . 2 1 18 18 GLU HG3 H 1 2.164 0.005 . 2 . 2291 . B 147 GLU HG3 . 34120 1 885 . 2 1 18 18 GLU C C 13 178.452 . . 1 . 2292 . B 147 GLU C . 34120 1 886 . 2 1 18 18 GLU CA C 13 60.458 0.034 . 1 . 2298 . B 147 GLU CA . 34120 1 887 . 2 1 18 18 GLU CB C 13 29.145 0.026 . 1 . 2295 . B 147 GLU CB . 34120 1 888 . 2 1 18 18 GLU CG C 13 37.251 0.007 . 1 . 2300 . B 147 GLU CG . 34120 1 889 . 2 1 18 18 GLU N N 15 121.059 0.035 . 1 . 2287 . B 147 GLU N . 34120 1 890 . 2 1 19 19 GLU H H 1 7.656 0.009 . 1 . 2336 . B 148 GLU H . 34120 1 891 . 2 1 19 19 GLU HA H 1 3.788 0.01 . 1 . 2326 . B 148 GLU HA . 34120 1 892 . 2 1 19 19 GLU HB2 H 1 2.192 0.006 . 2 . 2339 . B 148 GLU HB2 . 34120 1 893 . 2 1 19 19 GLU HB3 H 1 1.930 0.003 . 2 . 2340 . B 148 GLU HB3 . 34120 1 894 . 2 1 19 19 GLU HG2 H 1 2.236 0.002 . 2 . 2327 . B 148 GLU HG2 . 34120 1 895 . 2 1 19 19 GLU HG3 H 1 2.397 0.011 . 2 . 2344 . B 148 GLU HG3 . 34120 1 896 . 2 1 19 19 GLU C C 13 178.536 . . 1 . 2329 . B 148 GLU C . 34120 1 897 . 2 1 19 19 GLU CA C 13 58.846 0.053 . 1 . 2335 . B 148 GLU CA . 34120 1 898 . 2 1 19 19 GLU CB C 13 29.821 0.032 . 1 . 2332 . B 148 GLU CB . 34120 1 899 . 2 1 19 19 GLU CG C 13 36.666 0.018 . 1 . 2337 . B 148 GLU CG . 34120 1 900 . 2 1 19 19 GLU N N 15 120.158 0.07 . 1 . 2324 . B 148 GLU N . 34120 1 901 . 2 1 20 20 ALA H H 1 7.769 0.009 . 1 . 2321 . B 149 ALA H . 34120 1 902 . 2 1 20 20 ALA HA H 1 3.438 0.004 . 1 . 2317 . B 149 ALA HA . 34120 1 903 . 2 1 20 20 ALA HB1 H 1 0.329 0.004 . 1 . 2322 . B 149 ALA HB1 . 34120 1 904 . 2 1 20 20 ALA HB2 H 1 0.329 0.004 . 1 . 2322 . B 149 ALA HB2 . 34120 1 905 . 2 1 20 20 ALA HB3 H 1 0.329 0.004 . 1 . 2322 . B 149 ALA HB3 . 34120 1 906 . 2 1 20 20 ALA C C 13 178.620 . . 1 . 2318 . B 149 ALA C . 34120 1 907 . 2 1 20 20 ALA CA C 13 54.926 0.039 . 1 . 2320 . B 149 ALA CA . 34120 1 908 . 2 1 20 20 ALA CB C 13 17.940 0.043 . 1 . 2319 . B 149 ALA CB . 34120 1 909 . 2 1 20 20 ALA N N 15 122.104 0.029 . 1 . 2316 . B 149 ALA N . 34120 1 910 . 2 1 21 21 VAL H H 1 7.525 0.006 . 1 . 2247 . B 150 VAL H . 34120 1 911 . 2 1 21 21 VAL HA H 1 2.986 0.007 . 1 . 2248 . B 150 VAL HA . 34120 1 912 . 2 1 21 21 VAL HB H 1 2.557 0.001 . 1 . 2249 . B 150 VAL HB . 34120 1 913 . 2 1 21 21 VAL HG11 H 1 0.481 0.006 . 2 . 2250 . B 150 VAL HG11 . 34120 1 914 . 2 1 21 21 VAL HG12 H 1 0.481 0.006 . 2 . 2250 . B 150 VAL HG12 . 34120 1 915 . 2 1 21 21 VAL HG13 H 1 0.481 0.006 . 2 . 2250 . B 150 VAL HG13 . 34120 1 916 . 2 1 21 21 VAL HG21 H 1 -0.070 0.005 . 2 . 2251 . B 150 VAL HG21 . 34120 1 917 . 2 1 21 21 VAL HG22 H 1 -0.070 0.005 . 2 . 2251 . B 150 VAL HG22 . 34120 1 918 . 2 1 21 21 VAL HG23 H 1 -0.070 0.005 . 2 . 2251 . B 150 VAL HG23 . 34120 1 919 . 2 1 21 21 VAL C C 13 177.295 0.023 . 1 . 2241 . B 150 VAL C . 34120 1 920 . 2 1 21 21 VAL CA C 13 66.880 0.057 . 1 . 2246 . B 150 VAL CA . 34120 1 921 . 2 1 21 21 VAL CB C 13 31.259 0.045 . 1 . 2245 . B 150 VAL CB . 34120 1 922 . 2 1 21 21 VAL CG1 C 13 23.371 0.073 . 2 . 2242 . B 150 VAL CG1 . 34120 1 923 . 2 1 21 21 VAL CG2 C 13 20.441 0.035 . 2 . 2243 . B 150 VAL CG2 . 34120 1 924 . 2 1 21 21 VAL N N 15 117.985 0.014 . 1 . 2237 . B 150 VAL N . 34120 1 925 . 2 1 22 22 LEU H H 1 7.393 0.009 . 1 . 2125 . B 151 LEU H . 34120 1 926 . 2 1 22 22 LEU HA H 1 3.825 0.01 . 1 . 2113 . B 151 LEU HA . 34120 1 927 . 2 1 22 22 LEU HB2 H 1 1.513 0.011 . 2 . 2129 . B 151 LEU HB2 . 34120 1 928 . 2 1 22 22 LEU HB3 H 1 1.693 0.007 . 2 . 2130 . B 151 LEU HB3 . 34120 1 929 . 2 1 22 22 LEU HG H 1 1.627 0.013 . 1 . 2120 . B 151 LEU HG . 34120 1 930 . 2 1 22 22 LEU HD11 H 1 0.808 0.003 . 2 . 2126 . B 151 LEU HD11 . 34120 1 931 . 2 1 22 22 LEU HD12 H 1 0.808 0.003 . 2 . 2126 . B 151 LEU HD12 . 34120 1 932 . 2 1 22 22 LEU HD13 H 1 0.808 0.003 . 2 . 2126 . B 151 LEU HD13 . 34120 1 933 . 2 1 22 22 LEU HD21 H 1 0.793 0.005 . 2 . 2127 . B 151 LEU HD21 . 34120 1 934 . 2 1 22 22 LEU HD22 H 1 0.793 0.005 . 2 . 2127 . B 151 LEU HD22 . 34120 1 935 . 2 1 22 22 LEU HD23 H 1 0.793 0.005 . 2 . 2127 . B 151 LEU HD23 . 34120 1 936 . 2 1 22 22 LEU C C 13 180.244 0.079 . 1 . 2119 . B 151 LEU C . 34120 1 937 . 2 1 22 22 LEU CA C 13 58.532 0.049 . 1 . 2124 . B 151 LEU CA . 34120 1 938 . 2 1 22 22 LEU CB C 13 40.954 0.081 . 1 . 2122 . B 151 LEU CB . 34120 1 939 . 2 1 22 22 LEU CG C 13 26.733 0.006 . 1 . 2128 . B 151 LEU CG . 34120 1 940 . 2 1 22 22 LEU CD1 C 13 24.824 0.062 . 2 . 2118 . B 151 LEU CD1 . 34120 1 941 . 2 1 22 22 LEU CD2 C 13 23.717 0.017 . 2 . 2117 . B 151 LEU CD2 . 34120 1 942 . 2 1 22 22 LEU N N 15 119.268 0.05 . 1 . 2111 . B 151 LEU N . 34120 1 943 . 2 1 23 23 GLN H H 1 7.876 0.01 . 1 . 2229 . B 152 GLN H . 34120 1 944 . 2 1 23 23 GLN HA H 1 3.672 0.002 . 1 . 2218 . B 152 GLN HA . 34120 1 945 . 2 1 23 23 GLN HB2 H 1 1.838 . . 1 . 2228 . B 152 GLN HB2 . 34120 1 946 . 2 1 23 23 GLN HG2 H 1 2.181 0.005 . 2 . 2220 . B 152 GLN HG2 . 34120 1 947 . 2 1 23 23 GLN HG3 H 1 1.910 0.003 . 2 . 2221 . B 152 GLN HG3 . 34120 1 948 . 2 1 23 23 GLN HE21 H 1 6.700 0.005 . 1 . 2235 . B 152 GLN HE21 . 34120 1 949 . 2 1 23 23 GLN HE22 H 1 7.152 0.015 . 1 . 2236 . B 152 GLN HE22 . 34120 1 950 . 2 1 23 23 GLN C C 13 177.487 . . 1 . 2222 . B 152 GLN C . 34120 1 951 . 2 1 23 23 GLN CA C 13 58.282 0.037 . 1 . 2227 . B 152 GLN CA . 34120 1 952 . 2 1 23 23 GLN CB C 13 27.422 0.053 . 1 . 2225 . B 152 GLN CB . 34120 1 953 . 2 1 23 23 GLN CG C 13 33.456 0.021 . 1 . 2230 . B 152 GLN CG . 34120 1 954 . 2 1 23 23 GLN N N 15 118.619 0.036 . 1 . 2216 . B 152 GLN N . 34120 1 955 . 2 1 23 23 GLN NE2 N 15 111.365 0.051 . 1 . 2219 . B 152 GLN NE2 . 34120 1 956 . 2 1 24 24 MET H H 1 8.057 0.012 . 1 . 1829 . B 153 MET H . 34120 1 957 . 2 1 24 24 MET HA H 1 3.381 0.003 . 1 . 1820 . B 153 MET HA . 34120 1 958 . 2 1 24 24 MET HB2 H 1 1.715 0.021 . 2 . 1832 . B 153 MET HB2 . 34120 1 959 . 2 1 24 24 MET HB3 H 1 1.834 . . 2 . 1833 . B 153 MET HB3 . 34120 1 960 . 2 1 24 24 MET HG2 H 1 2.349 0.004 . 1 . 1821 . B 153 MET HG2 . 34120 1 961 . 2 1 24 24 MET C C 13 178.220 0.022 . 1 . 1822 . B 153 MET C . 34120 1 962 . 2 1 24 24 MET CA C 13 59.900 0.032 . 1 . 1828 . B 153 MET CA . 34120 1 963 . 2 1 24 24 MET CB C 13 33.622 0.004 . 1 . 1825 . B 153 MET CB . 34120 1 964 . 2 1 24 24 MET CG C 13 31.789 0.043 . 1 . 1830 . B 153 MET CG . 34120 1 965 . 2 1 24 24 MET N N 15 120.093 0.077 . 1 . 1819 . B 153 MET N . 34120 1 966 . 2 1 25 25 ASN H H 1 8.136 0.011 . 1 . 1498 . B 154 ASN H . 34120 1 967 . 2 1 25 25 ASN HA H 1 4.518 0.011 . 1 . 1495 . B 154 ASN HA . 34120 1 968 . 2 1 25 25 ASN HB2 H 1 2.731 0.013 . 2 . 1507 . B 154 ASN HB2 . 34120 1 969 . 2 1 25 25 ASN HB3 H 1 2.793 0.013 . 2 . 1508 . B 154 ASN HB3 . 34120 1 970 . 2 1 25 25 ASN HD21 H 1 7.321 0.01 . 1 . 1500 . B 154 ASN HD21 . 34120 1 971 . 2 1 25 25 ASN HD22 H 1 6.604 0.009 . 1 . 1501 . B 154 ASN HD22 . 34120 1 972 . 2 1 25 25 ASN C C 13 178.550 0.04 . 1 . 1496 . B 154 ASN C . 34120 1 973 . 2 1 25 25 ASN CA C 13 55.347 0.034 . 1 . 1502 . B 154 ASN CA . 34120 1 974 . 2 1 25 25 ASN CB C 13 37.656 0.044 . 1 . 1503 . B 154 ASN CB . 34120 1 975 . 2 1 25 25 ASN N N 15 116.559 0.03 . 1 . 1493 . B 154 ASN N . 34120 1 976 . 2 1 25 25 ASN ND2 N 15 108.776 0.088 . 1 . 1506 . B 154 ASN ND2 . 34120 1 977 . 2 1 26 26 LEU H H 1 8.136 0.007 . 1 . 1333 . B 155 LEU H . 34120 1 978 . 2 1 26 26 LEU HA H 1 4.034 0.002 . 1 . 1324 . B 155 LEU HA . 34120 1 979 . 2 1 26 26 LEU HB2 H 1 1.725 0.005 . 2 . 1340 . B 155 LEU HB2 . 34120 1 980 . 2 1 26 26 LEU HB3 H 1 1.543 0.007 . 2 . 1341 . B 155 LEU HB3 . 34120 1 981 . 2 1 26 26 LEU HG H 1 1.607 0.002 . 1 . 1331 . B 155 LEU HG . 34120 1 982 . 2 1 26 26 LEU HD11 H 1 0.781 0.011 . 2 . 1338 . B 155 LEU HD11 . 34120 1 983 . 2 1 26 26 LEU HD12 H 1 0.781 0.011 . 2 . 1338 . B 155 LEU HD12 . 34120 1 984 . 2 1 26 26 LEU HD13 H 1 0.781 0.011 . 2 . 1338 . B 155 LEU HD13 . 34120 1 985 . 2 1 26 26 LEU HD21 H 1 0.788 0.002 . 2 . 1337 . B 155 LEU HD21 . 34120 1 986 . 2 1 26 26 LEU HD22 H 1 0.788 0.002 . 2 . 1337 . B 155 LEU HD22 . 34120 1 987 . 2 1 26 26 LEU HD23 H 1 0.788 0.002 . 2 . 1337 . B 155 LEU HD23 . 34120 1 988 . 2 1 26 26 LEU C C 13 179.474 0.029 . 1 . 1330 . B 155 LEU C . 34120 1 989 . 2 1 26 26 LEU CA C 13 58.025 0.05 . 1 . 1335 . B 155 LEU CA . 34120 1 990 . 2 1 26 26 LEU CB C 13 42.082 0.027 . 1 . 1336 . B 155 LEU CB . 34120 1 991 . 2 1 26 26 LEU CG C 13 26.796 0.091 . 1 . 1339 . B 155 LEU CG . 34120 1 992 . 2 1 26 26 LEU CD1 C 13 23.681 0.022 . 2 . 1328 . B 155 LEU CD1 . 34120 1 993 . 2 1 26 26 LEU CD2 C 13 24.645 0.017 . 2 . 1329 . B 155 LEU CD2 . 34120 1 994 . 2 1 26 26 LEU N N 15 123.729 0.031 . 1 . 1322 . B 155 LEU N . 34120 1 995 . 2 1 27 27 LEU H H 1 7.694 0.012 . 1 . 2013 . B 156 LEU H . 34120 1 996 . 2 1 27 27 LEU HA H 1 4.042 0.004 . 1 . 2001 . B 156 LEU HA . 34120 1 997 . 2 1 27 27 LEU HB2 H 1 1.355 0.003 . 1 . 2345 . B 156 LEU HB2 . 34120 1 998 . 2 1 27 27 LEU HG H 1 1.616 0.008 . 1 . 2008 . B 156 LEU HG . 34120 1 999 . 2 1 27 27 LEU HD11 H 1 0.791 0.013 . 2 . 2014 . B 156 LEU HD11 . 34120 1 1000 . 2 1 27 27 LEU HD12 H 1 0.791 0.013 . 2 . 2014 . B 156 LEU HD12 . 34120 1 1001 . 2 1 27 27 LEU HD13 H 1 0.791 0.013 . 2 . 2014 . B 156 LEU HD13 . 34120 1 1002 . 2 1 27 27 LEU HD21 H 1 0.833 0.015 . 2 . 2015 . B 156 LEU HD21 . 34120 1 1003 . 2 1 27 27 LEU HD22 H 1 0.833 0.015 . 2 . 2015 . B 156 LEU HD22 . 34120 1 1004 . 2 1 27 27 LEU HD23 H 1 0.833 0.015 . 2 . 2015 . B 156 LEU HD23 . 34120 1 1005 . 2 1 27 27 LEU C C 13 177.745 0.005 . 1 . 2007 . B 156 LEU C . 34120 1 1006 . 2 1 27 27 LEU CA C 13 55.415 0.043 . 1 . 2012 . B 156 LEU CA . 34120 1 1007 . 2 1 27 27 LEU CB C 13 42.378 0.058 . 1 . 2010 . B 156 LEU CB . 34120 1 1008 . 2 1 27 27 LEU CG C 13 26.713 0.079 . 1 . 2016 . B 156 LEU CG . 34120 1 1009 . 2 1 27 27 LEU CD1 C 13 22.157 0.003 . 2 . 2005 . B 156 LEU CD1 . 34120 1 1010 . 2 1 27 27 LEU CD2 C 13 25.902 0.019 . 2 . 2006 . B 156 LEU CD2 . 34120 1 1011 . 2 1 27 27 LEU N N 15 116.614 0.037 . 1 . 1999 . B 156 LEU N . 34120 1 1012 . 2 1 28 28 GLY H H 1 7.696 0.011 . 1 . 1974 . B 157 GLY H . 34120 1 1013 . 2 1 28 28 GLY HA2 H 1 3.853 0.004 . 2 . 1976 . B 157 GLY HA2 . 34120 1 1014 . 2 1 28 28 GLY HA3 H 1 4.032 0.009 . 2 . 1977 . B 157 GLY HA3 . 34120 1 1015 . 2 1 28 28 GLY C C 13 175.248 0.017 . 1 . 1973 . B 157 GLY C . 34120 1 1016 . 2 1 28 28 GLY CA C 13 46.039 0.024 . 1 . 1975 . B 157 GLY CA . 34120 1 1017 . 2 1 28 28 GLY N N 15 107.110 0.032 . 1 . 1970 . B 157 GLY N . 34120 1 1018 . 2 1 29 29 HIS H H 1 7.579 0.009 . 1 . 2282 . B 158 HIS H . 34120 1 1019 . 2 1 29 29 HIS HA H 1 4.999 0.003 . 1 . 2270 . B 158 HIS HA . 34120 1 1020 . 2 1 29 29 HIS HB2 H 1 3.365 0.007 . 2 . 2283 . B 158 HIS HB2 . 34120 1 1021 . 2 1 29 29 HIS HB3 H 1 2.815 0.01 . 2 . 2284 . B 158 HIS HB3 . 34120 1 1022 . 2 1 29 29 HIS HD2 H 1 6.710 0.003 . 1 . 2274 . B 158 HIS HD2 . 34120 1 1023 . 2 1 29 29 HIS C C 13 174.653 0.019 . 1 . 2273 . B 158 HIS C . 34120 1 1024 . 2 1 29 29 HIS CA C 13 54.085 0.045 . 1 . 2278 . B 158 HIS CA . 34120 1 1025 . 2 1 29 29 HIS CB C 13 34.286 0.034 . 1 . 2275 . B 158 HIS CB . 34120 1 1026 . 2 1 29 29 HIS CD2 C 13 118.293 0.092 . 1 . 2271 . B 158 HIS CD2 . 34120 1 1027 . 2 1 29 29 HIS N N 15 119.034 0.115 . 1 . 2269 . B 158 HIS N . 34120 1 1028 . 2 1 30 30 ASP H H 1 9.066 0.014 . 1 . 2168 . B 159 ASP H . 34120 1 1029 . 2 1 30 30 ASP HA H 1 4.986 0.014 . 1 . 2165 . B 159 ASP HA . 34120 1 1030 . 2 1 30 30 ASP HB2 H 1 3.251 0.004 . 2 . 2173 . B 159 ASP HB2 . 34120 1 1031 . 2 1 30 30 ASP HB3 H 1 2.898 0.01 . 2 . 2174 . B 159 ASP HB3 . 34120 1 1032 . 2 1 30 30 ASP C C 13 175.033 . . 1 . 2166 . B 159 ASP C . 34120 1 1033 . 2 1 30 30 ASP CA C 13 55.343 0.024 . 1 . 2170 . B 159 ASP CA . 34120 1 1034 . 2 1 30 30 ASP CB C 13 42.549 0.031 . 1 . 2171 . B 159 ASP CB . 34120 1 1035 . 2 1 30 30 ASP N N 15 117.504 0.032 . 1 . 2164 . B 159 ASP N . 34120 1 1036 . 2 1 31 31 PHE H H 1 7.325 0.008 . 1 . 1960 . B 160 PHE H . 34120 1 1037 . 2 1 31 31 PHE HA H 1 5.547 0.011 . 1 . 1955 . B 160 PHE HA . 34120 1 1038 . 2 1 31 31 PHE HB2 H 1 2.690 0.012 . 2 . 1967 . B 160 PHE HB2 . 34120 1 1039 . 2 1 31 31 PHE HB3 H 1 2.459 0.012 . 2 . 1968 . B 160 PHE HB3 . 34120 1 1040 . 2 1 31 31 PHE HD1 H 1 6.644 0.008 . 1 . 1958 . B 160 PHE HD1 . 34120 1 1041 . 2 1 31 31 PHE HD2 H 1 6.644 0.008 . 1 . 1958 . B 160 PHE HD2 . 34120 1 1042 . 2 1 31 31 PHE HE1 H 1 6.849 0.007 . 1 . 1959 . B 160 PHE HE1 . 34120 1 1043 . 2 1 31 31 PHE HE2 H 1 6.849 0.007 . 1 . 1959 . B 160 PHE HE2 . 34120 1 1044 . 2 1 31 31 PHE HZ H 1 6.413 0.014 . 1 . 1954 . B 160 PHE HZ . 34120 1 1045 . 2 1 31 31 PHE C C 13 173.743 0.027 . 1 . 1957 . B 160 PHE C . 34120 1 1046 . 2 1 31 31 PHE CA C 13 56.650 0.064 . 1 . 1963 . B 160 PHE CA . 34120 1 1047 . 2 1 31 31 PHE CB C 13 41.200 0.05 . 1 . 1964 . B 160 PHE CB . 34120 1 1048 . 2 1 31 31 PHE CD1 C 13 131.525 0.045 . 1 . 1961 . B 160 PHE CD1 . 34120 1 1049 . 2 1 31 31 PHE CD2 C 13 131.525 0.045 . 1 . 1961 . B 160 PHE CD2 . 34120 1 1050 . 2 1 31 31 PHE CE1 C 13 130.624 0.049 . 1 . 1969 . B 160 PHE CE1 . 34120 1 1051 . 2 1 31 31 PHE CE2 C 13 130.624 0.049 . 1 . 1969 . B 160 PHE CE2 . 34120 1 1052 . 2 1 31 31 PHE N N 15 114.513 0.036 . 1 . 1953 . B 160 PHE N . 34120 1 1053 . 2 1 32 32 PHE H H 1 9.153 0.008 . 1 . 1887 . B 161 PHE H . 34120 1 1054 . 2 1 32 32 PHE HA H 1 4.351 0.012 . 1 . 1878 . B 161 PHE HA . 34120 1 1055 . 2 1 32 32 PHE HB2 H 1 2.656 0.01 . 2 . 1890 . B 161 PHE HB2 . 34120 1 1056 . 2 1 32 32 PHE HB3 H 1 2.766 0.003 . 2 . 1891 . B 161 PHE HB3 . 34120 1 1057 . 2 1 32 32 PHE C C 13 172.743 0.03 . 1 . 1879 . B 161 PHE C . 34120 1 1058 . 2 1 32 32 PHE CA C 13 59.226 0.03 . 1 . 1886 . B 161 PHE CA . 34120 1 1059 . 2 1 32 32 PHE CB C 13 43.854 0.032 . 1 . 1883 . B 161 PHE CB . 34120 1 1060 . 2 1 32 32 PHE N N 15 121.294 0.037 . 1 . 1876 . B 161 PHE N . 34120 1 1061 . 2 1 33 33 VAL H H 1 7.189 0.012 . 1 . 1535 . B 162 VAL H . 34120 1 1062 . 2 1 33 33 VAL HA H 1 4.905 0.006 . 1 . 1536 . B 162 VAL HA . 34120 1 1063 . 2 1 33 33 VAL HB H 1 1.546 0.003 . 1 . 1526 . B 162 VAL HB . 34120 1 1064 . 2 1 33 33 VAL HG11 H 1 1.198 . . 2 . 1538 . B 162 VAL HG11 . 34120 1 1065 . 2 1 33 33 VAL HG12 H 1 1.198 . . 2 . 1538 . B 162 VAL HG12 . 34120 1 1066 . 2 1 33 33 VAL HG13 H 1 1.198 . . 2 . 1538 . B 162 VAL HG13 . 34120 1 1067 . 2 1 33 33 VAL HG21 H 1 0.936 0.015 . 2 . 1539 . B 162 VAL HG21 . 34120 1 1068 . 2 1 33 33 VAL HG22 H 1 0.936 0.015 . 2 . 1539 . B 162 VAL HG22 . 34120 1 1069 . 2 1 33 33 VAL HG23 H 1 0.936 0.015 . 2 . 1539 . B 162 VAL HG23 . 34120 1 1070 . 2 1 33 33 VAL C C 13 173.588 . . 1 . 1529 . B 162 VAL C . 34120 1 1071 . 2 1 33 33 VAL CA C 13 60.832 0.015 . 1 . 1528 . B 162 VAL CA . 34120 1 1072 . 2 1 33 33 VAL CB C 13 32.732 0.033 . 1 . 1533 . B 162 VAL CB . 34120 1 1073 . 2 1 33 33 VAL CG1 C 13 21.563 0.046 . 2 . 1530 . B 162 VAL CG1 . 34120 1 1074 . 2 1 33 33 VAL CG2 C 13 21.603 . . 2 . 1531 . B 162 VAL CG2 . 34120 1 1075 . 2 1 33 33 VAL N N 15 128.250 0.039 . 1 . 1525 . B 162 VAL N . 34120 1 1076 . 2 1 34 34 PHE H H 1 8.992 0.014 . 1 . 1317 . B 163 PHE H . 34120 1 1077 . 2 1 34 34 PHE HA H 1 5.006 0.013 . 1 . 1307 . B 163 PHE HA . 34120 1 1078 . 2 1 34 34 PHE HB2 H 1 3.242 0.007 . 1 . 1308 . B 163 PHE HB2 . 34120 1 1079 . 2 1 34 34 PHE HD1 H 1 7.168 0.013 . 1 . 1310 . B 163 PHE HD1 . 34120 1 1080 . 2 1 34 34 PHE HD2 H 1 7.168 0.013 . 1 . 1310 . B 163 PHE HD2 . 34120 1 1081 . 2 1 34 34 PHE HE1 H 1 6.953 0.022 . 1 . 1311 . B 163 PHE HE1 . 34120 1 1082 . 2 1 34 34 PHE HE2 H 1 6.953 0.022 . 1 . 1311 . B 163 PHE HE2 . 34120 1 1083 . 2 1 34 34 PHE C C 13 172.538 0.0 . 1 . 1309 . B 163 PHE C . 34120 1 1084 . 2 1 34 34 PHE CA C 13 55.723 0.051 . 1 . 1315 . B 163 PHE CA . 34120 1 1085 . 2 1 34 34 PHE CB C 13 41.114 0.013 . 1 . 1312 . B 163 PHE CB . 34120 1 1086 . 2 1 34 34 PHE CD1 C 13 133.964 0.054 . 1 . 1316 . B 163 PHE CD1 . 34120 1 1087 . 2 1 34 34 PHE CD2 C 13 133.964 0.054 . 1 . 1316 . B 163 PHE CD2 . 34120 1 1088 . 2 1 34 34 PHE N N 15 122.717 0.025 . 1 . 1305 . B 163 PHE N . 34120 1 1089 . 2 1 35 35 THR H H 1 8.362 0.012 . 1 . 1857 . B 164 THR H . 34120 1 1090 . 2 1 35 35 THR HA H 1 4.317 0.013 . 1 . 1852 . B 164 THR HA . 34120 1 1091 . 2 1 35 35 THR HB H 1 3.536 0.002 . 1 . 1859 . B 164 THR HB . 34120 1 1092 . 2 1 35 35 THR HG21 H 1 0.977 0.025 . 1 . 1850 . B 164 THR HG1 . 34120 1 1093 . 2 1 35 35 THR HG22 H 1 0.977 0.025 . 1 . 1850 . B 164 THR HG1 . 34120 1 1094 . 2 1 35 35 THR HG23 H 1 0.977 0.025 . 1 . 1850 . B 164 THR HG1 . 34120 1 1095 . 2 1 35 35 THR C C 13 172.724 0.008 . 1 . 1853 . B 164 THR C . 34120 1 1096 . 2 1 35 35 THR CA C 13 62.256 0.018 . 1 . 1856 . B 164 THR CA . 34120 1 1097 . 2 1 35 35 THR CB C 13 69.079 0.051 . 1 . 1855 . B 164 THR CB . 34120 1 1098 . 2 1 35 35 THR CG2 C 13 21.656 0.006 . 1 . 1858 . B 164 THR CG2 . 34120 1 1099 . 2 1 35 35 THR N N 15 118.938 0.029 . 1 . 1851 . B 164 THR N . 34120 1 1100 . 2 1 36 36 ASP H H 1 8.637 0.007 . 1 . 1595 . B 165 ASP H . 34120 1 1101 . 2 1 36 36 ASP HA H 1 5.091 0.008 . 1 . 1589 . B 165 ASP HA . 34120 1 1102 . 2 1 36 36 ASP HB2 H 1 2.192 0.007 . 2 . 1597 . B 165 ASP HB2 . 34120 1 1103 . 2 1 36 36 ASP HB3 H 1 3.191 0.016 . 2 . 1598 . B 165 ASP HB3 . 34120 1 1104 . 2 1 36 36 ASP C C 13 178.289 0.0 . 1 . 1590 . B 165 ASP C . 34120 1 1105 . 2 1 36 36 ASP CA C 13 53.762 0.065 . 1 . 1594 . B 165 ASP CA . 34120 1 1106 . 2 1 36 36 ASP CB C 13 42.509 0.017 . 1 . 1592 . B 165 ASP CB . 34120 1 1107 . 2 1 36 36 ASP N N 15 129.593 0.037 . 1 . 1588 . B 165 ASP N . 34120 1 1108 . 2 1 37 37 ARG H H 1 8.493 0.009 . 1 . 2064 . B 166 ARG H . 34120 1 1109 . 2 1 37 37 ARG HA H 1 4.118 0.002 . 1 . 2074 . B 166 ARG HA . 34120 1 1110 . 2 1 37 37 ARG HB2 H 1 1.685 0.001 . 2 . 2069 . B 166 ARG HB2 . 34120 1 1111 . 2 1 37 37 ARG HB3 H 1 1.752 . . 2 . 2070 . B 166 ARG HB3 . 34120 1 1112 . 2 1 37 37 ARG HG2 H 1 1.600 0.006 . 1 . 2058 . B 166 ARG HG2 . 34120 1 1113 . 2 1 37 37 ARG HD2 H 1 3.202 0.004 . 1 . 2051 . B 166 ARG HD2 . 34120 1 1114 . 2 1 37 37 ARG C C 13 177.533 0.019 . 1 . 2059 . B 166 ARG C . 34120 1 1115 . 2 1 37 37 ARG CA C 13 58.513 0.101 . 1 . 2053 . B 166 ARG CA . 34120 1 1116 . 2 1 37 37 ARG CB C 13 30.760 0.051 . 1 . 2068 . B 166 ARG CB . 34120 1 1117 . 2 1 37 37 ARG CG C 13 27.563 0.052 . 1 . 2055 . B 166 ARG CG . 34120 1 1118 . 2 1 37 37 ARG CD C 13 43.593 0.024 . 1 . 2072 . B 166 ARG CD . 34120 1 1119 . 2 1 37 37 ARG N N 15 127.582 0.02 . 1 . 2062 . B 166 ARG N . 34120 1 1120 . 2 1 38 38 GLU H H 1 9.056 0.005 . 1 . 2159 . B 167 GLU H . 34120 1 1121 . 2 1 38 38 GLU HA H 1 4.207 0.003 . 1 . 2150 . B 167 GLU HA . 34120 1 1122 . 2 1 38 38 GLU HB2 H 1 2.129 0.022 . 2 . 2161 . B 167 GLU HB2 . 34120 1 1123 . 2 1 38 38 GLU HB3 H 1 2.171 0.009 . 2 . 2162 . B 167 GLU HB3 . 34120 1 1124 . 2 1 38 38 GLU HG2 H 1 2.226 0.0 . 2 . 2151 . B 167 GLU HG2 . 34120 1 1125 . 2 1 38 38 GLU HG3 H 1 2.398 0.002 . 2 . 2152 . B 167 GLU HG3 . 34120 1 1126 . 2 1 38 38 GLU C C 13 177.933 0.025 . 1 . 2153 . B 167 GLU C . 34120 1 1127 . 2 1 38 38 GLU CA C 13 58.778 0.021 . 1 . 2158 . B 167 GLU CA . 34120 1 1128 . 2 1 38 38 GLU CB C 13 30.672 0.028 . 1 . 2156 . B 167 GLU CB . 34120 1 1129 . 2 1 38 38 GLU CG C 13 37.113 0.007 . 1 . 2160 . B 167 GLU CG . 34120 1 1130 . 2 1 38 38 GLU N N 15 117.478 0.01 . 1 . 2149 . B 167 GLU N . 34120 1 1131 . 2 1 39 39 THR H H 1 7.285 0.013 . 1 . 1938 . B 168 THR H . 34120 1 1132 . 2 1 39 39 THR HA H 1 4.376 0.002 . 1 . 1939 . B 168 THR HA . 34120 1 1133 . 2 1 39 39 THR HB H 1 4.255 0.008 . 1 . 1940 . B 168 THR HB . 34120 1 1134 . 2 1 39 39 THR HG21 H 1 0.693 . . 1 . 1935 . B 168 THR HG21 . 34120 1 1135 . 2 1 39 39 THR HG22 H 1 0.693 . . 1 . 1935 . B 168 THR HG22 . 34120 1 1136 . 2 1 39 39 THR HG23 H 1 0.693 . . 1 . 1935 . B 168 THR HG23 . 34120 1 1137 . 2 1 39 39 THR C C 13 175.725 0.015 . 1 . 1934 . B 168 THR C . 34120 1 1138 . 2 1 39 39 THR CA C 13 61.318 0.034 . 1 . 1937 . B 168 THR CA . 34120 1 1139 . 2 1 39 39 THR CB C 13 71.169 0.053 . 1 . 1936 . B 168 THR CB . 34120 1 1140 . 2 1 39 39 THR CG2 C 13 21.777 0.007 . 1 . 1933 . B 168 THR CG2 . 34120 1 1141 . 2 1 39 39 THR N N 15 105.437 0.036 . 1 . 1932 . B 168 THR N . 34120 1 1142 . 2 1 40 40 ASP H H 1 8.669 0.011 . 1 . 1946 . B 169 ASP H . 34120 1 1143 . 2 1 40 40 ASP HA H 1 4.275 0.015 . 1 . 1943 . B 169 ASP HA . 34120 1 1144 . 2 1 40 40 ASP HB2 H 1 2.985 0.008 . 2 . 1951 . B 169 ASP HB2 . 34120 1 1145 . 2 1 40 40 ASP HB3 H 1 2.777 0.01 . 2 . 1952 . B 169 ASP HB3 . 34120 1 1146 . 2 1 40 40 ASP C C 13 174.913 0.032 . 1 . 1944 . B 169 ASP C . 34120 1 1147 . 2 1 40 40 ASP CA C 13 56.524 0.052 . 1 . 1948 . B 169 ASP CA . 34120 1 1148 . 2 1 40 40 ASP CB C 13 40.500 0.015 . 1 . 1949 . B 169 ASP CB . 34120 1 1149 . 2 1 40 40 ASP N N 15 119.389 0.057 . 1 . 1942 . B 169 ASP N . 34120 1 1150 . 2 1 41 41 GLY H H 1 8.045 0.009 . 1 . 1390 . B 170 GLY H . 34120 1 1151 . 2 1 41 41 GLY HA2 H 1 3.633 0.008 . 2 . 1387 . B 170 GLY HA2 . 34120 1 1152 . 2 1 41 41 GLY HA3 H 1 4.481 0.011 . 2 . 1388 . B 170 GLY HA3 . 34120 1 1153 . 2 1 41 41 GLY C C 13 173.204 . . 1 . 1389 . B 170 GLY C . 34120 1 1154 . 2 1 41 41 GLY CA C 13 44.149 0.032 . 1 . 1391 . B 170 GLY CA . 34120 1 1155 . 2 1 41 41 GLY N N 15 106.203 0.052 . 1 . 1385 . B 170 GLY N . 34120 1 1156 . 2 1 42 42 THR H H 1 8.305 0.005 . 1 . 1678 . B 171 THR H . 34120 1 1157 . 2 1 42 42 THR HA H 1 4.364 0.005 . 1 . 1673 . B 171 THR HA . 34120 1 1158 . 2 1 42 42 THR HB H 1 3.735 0.006 . 1 . 1680 . B 171 THR HB . 34120 1 1159 . 2 1 42 42 THR HG21 H 1 0.873 0.003 . 1 . 1672 . B 171 THR HG1 . 34120 1 1160 . 2 1 42 42 THR HG22 H 1 0.873 0.003 . 1 . 1672 . B 171 THR HG1 . 34120 1 1161 . 2 1 42 42 THR HG23 H 1 0.873 0.003 . 1 . 1672 . B 171 THR HG1 . 34120 1 1162 . 2 1 42 42 THR C C 13 174.798 0.064 . 1 . 1674 . B 171 THR C . 34120 1 1163 . 2 1 42 42 THR CA C 13 64.166 0.051 . 1 . 1677 . B 171 THR CA . 34120 1 1164 . 2 1 42 42 THR CB C 13 68.418 0.059 . 1 . 1676 . B 171 THR CB . 34120 1 1165 . 2 1 42 42 THR CG2 C 13 22.508 0.062 . 1 . 1679 . B 171 THR CG2 . 34120 1 1166 . 2 1 42 42 THR N N 15 118.803 0.052 . 1 . 1671 . B 171 THR N . 34120 1 1167 . 2 1 43 43 SER H H 1 9.087 0.011 . 1 . 1486 . B 172 SER H . 34120 1 1168 . 2 1 43 43 SER HA H 1 5.266 0.004 . 1 . 1482 . B 172 SER HA . 34120 1 1169 . 2 1 43 43 SER HB2 H 1 3.387 0.004 . 1 . 1490 . B 172 SER HB2 . 34120 1 1170 . 2 1 43 43 SER C C 13 170.435 0.02 . 1 . 1483 . B 172 SER C . 34120 1 1171 . 2 1 43 43 SER CA C 13 56.822 0.079 . 1 . 1488 . B 172 SER CA . 34120 1 1172 . 2 1 43 43 SER CB C 13 67.572 0.027 . 1 . 1489 . B 172 SER CB . 34120 1 1173 . 2 1 43 43 SER N N 15 127.065 0.049 . 1 . 1481 . B 172 SER N . 34120 1 1174 . 2 1 44 44 ILE H H 1 8.814 0.019 . 1 . 2085 . B 173 ILE H . 34120 1 1175 . 2 1 44 44 ILE HA H 1 5.260 0.005 . 1 . 2091 . B 173 ILE HA . 34120 1 1176 . 2 1 44 44 ILE HB H 1 1.617 0.002 . 1 . 2080 . B 173 ILE HB . 34120 1 1177 . 2 1 44 44 ILE HG12 H 1 0.863 0.006 . 2 . 2087 . B 173 ILE HG12 . 34120 1 1178 . 2 1 44 44 ILE HG13 H 1 1.412 0.009 . 2 . 2088 . B 173 ILE HG13 . 34120 1 1179 . 2 1 44 44 ILE HG21 H 1 0.595 0.006 . 1 . 2084 . B 173 ILE HG21 . 34120 1 1180 . 2 1 44 44 ILE HG22 H 1 0.595 0.006 . 1 . 2084 . B 173 ILE HG22 . 34120 1 1181 . 2 1 44 44 ILE HG23 H 1 0.595 0.006 . 1 . 2084 . B 173 ILE HG23 . 34120 1 1182 . 2 1 44 44 ILE HD11 H 1 0.551 0.011 . 1 . 2082 . B 173 ILE HD11 . 34120 1 1183 . 2 1 44 44 ILE HD12 H 1 0.551 0.011 . 1 . 2082 . B 173 ILE HD12 . 34120 1 1184 . 2 1 44 44 ILE HD13 H 1 0.551 0.011 . 1 . 2082 . B 173 ILE HD13 . 34120 1 1185 . 2 1 44 44 ILE C C 13 176.881 0.021 . 1 . 2083 . B 173 ILE C . 34120 1 1186 . 2 1 44 44 ILE CA C 13 60.388 0.062 . 1 . 2086 . B 173 ILE CA . 34120 1 1187 . 2 1 44 44 ILE CB C 13 43.032 0.066 . 1 . 2089 . B 173 ILE CB . 34120 1 1188 . 2 1 44 44 ILE CG1 C 13 29.328 0.061 . 1 . 2092 . B 173 ILE CG1 . 34120 1 1189 . 2 1 44 44 ILE CG2 C 13 18.965 0.012 . 1 . 2081 . B 173 ILE CG2 . 34120 1 1190 . 2 1 44 44 ILE CD1 C 13 16.062 0.045 . 1 . 2079 . B 173 ILE CD1 . 34120 1 1191 . 2 1 44 44 ILE N N 15 119.726 0.048 . 1 . 2078 . B 173 ILE N . 34120 1 1192 . 2 1 45 45 VAL H H 1 8.932 0.01 . 1 . 1845 . B 174 VAL H . 34120 1 1193 . 2 1 45 45 VAL HA H 1 6.037 0.01 . 1 . 1837 . B 174 VAL HA . 34120 1 1194 . 2 1 45 45 VAL HB H 1 2.053 0.012 . 1 . 1847 . B 174 VAL HB . 34120 1 1195 . 2 1 45 45 VAL HG11 H 1 1.016 0.005 . 2 . 1848 . B 174 VAL HG11 . 34120 1 1196 . 2 1 45 45 VAL HG12 H 1 1.016 0.005 . 2 . 1848 . B 174 VAL HG12 . 34120 1 1197 . 2 1 45 45 VAL HG13 H 1 1.016 0.005 . 2 . 1848 . B 174 VAL HG13 . 34120 1 1198 . 2 1 45 45 VAL HG21 H 1 1.157 . . 2 . 2398 . B 174 VAL HG21 . 34120 1 1199 . 2 1 45 45 VAL HG22 H 1 1.157 . . 2 . 2398 . B 174 VAL HG22 . 34120 1 1200 . 2 1 45 45 VAL HG23 H 1 1.157 . . 2 . 2398 . B 174 VAL HG23 . 34120 1 1201 . 2 1 45 45 VAL C C 13 175.163 0.031 . 1 . 1839 . B 174 VAL C . 34120 1 1202 . 2 1 45 45 VAL CA C 13 58.695 0.05 . 1 . 1844 . B 174 VAL CA . 34120 1 1203 . 2 1 45 45 VAL CB C 13 35.578 0.028 . 1 . 1843 . B 174 VAL CB . 34120 1 1204 . 2 1 45 45 VAL CG1 C 13 20.544 0.057 . 2 . 1840 . B 174 VAL CG1 . 34120 1 1205 . 2 1 45 45 VAL CG2 C 13 22.405 . . 2 . 1841 . B 174 VAL CG2 . 34120 1 1206 . 2 1 45 45 VAL N N 15 120.771 0.06 . 1 . 1835 . B 174 VAL N . 34120 1 1207 . 2 1 46 46 TYR H H 1 8.593 0.011 . 1 . 2186 . B 175 TYR H . 34120 1 1208 . 2 1 46 46 TYR HA H 1 5.442 0.012 . 1 . 2178 . B 175 TYR HA . 34120 1 1209 . 2 1 46 46 TYR HB2 H 1 3.321 0.014 . 2 . 2190 . B 175 TYR HB2 . 34120 1 1210 . 2 1 46 46 TYR HB3 H 1 2.883 0.006 . 2 . 2191 . B 175 TYR HB3 . 34120 1 1211 . 2 1 46 46 TYR HD1 H 1 6.907 0.014 . 1 . 2180 . B 175 TYR HD1 . 34120 1 1212 . 2 1 46 46 TYR HD2 H 1 6.907 0.014 . 1 . 2180 . B 175 TYR HD2 . 34120 1 1213 . 2 1 46 46 TYR HE1 H 1 6.778 0.007 . 1 . 2181 . B 175 TYR HE1 . 34120 1 1214 . 2 1 46 46 TYR HE2 H 1 6.778 0.007 . 1 . 2181 . B 175 TYR HE2 . 34120 1 1215 . 2 1 46 46 TYR C C 13 173.614 0.031 . 1 . 2179 . B 175 TYR C . 34120 1 1216 . 2 1 46 46 TYR CA C 13 56.412 0.053 . 1 . 2185 . B 175 TYR CA . 34120 1 1217 . 2 1 46 46 TYR CB C 13 41.313 0.049 . 1 . 2182 . B 175 TYR CB . 34120 1 1218 . 2 1 46 46 TYR CD1 C 13 134.262 0.045 . 1 . 2183 . B 175 TYR CD1 . 34120 1 1219 . 2 1 46 46 TYR CD2 C 13 134.262 0.045 . 1 . 2183 . B 175 TYR CD2 . 34120 1 1220 . 2 1 46 46 TYR CE1 C 13 117.963 0.007 . 1 . 2192 . B 175 TYR CE1 . 34120 1 1221 . 2 1 46 46 TYR CE2 C 13 117.963 0.007 . 1 . 2192 . B 175 TYR CE2 . 34120 1 1222 . 2 1 46 46 TYR N N 15 116.142 0.033 . 1 . 2177 . B 175 TYR N . 34120 1 1223 . 2 1 47 47 ARG H H 1 8.616 0.009 . 1 . 1748 . B 176 ARG H . 34120 1 1224 . 2 1 47 47 ARG HA H 1 4.338 0.007 . 1 . 1757 . B 176 ARG HA . 34120 1 1225 . 2 1 47 47 ARG HB2 H 1 1.837 0.009 . 1 . 1753 . B 176 ARG HB2 . 34120 1 1226 . 2 1 47 47 ARG HG2 H 1 1.711 0.003 . 1 . 1742 . B 176 ARG HG2 . 34120 1 1227 . 2 1 47 47 ARG HD2 H 1 3.440 0.005 . 2 . 1733 . B 176 ARG HD2 . 34120 1 1228 . 2 1 47 47 ARG HD3 H 1 3.262 0.002 . 2 . 1734 . B 176 ARG HD3 . 34120 1 1229 . 2 1 47 47 ARG C C 13 176.192 0.015 . 1 . 1743 . B 176 ARG C . 34120 1 1230 . 2 1 47 47 ARG CA C 13 56.638 0.062 . 1 . 1736 . B 176 ARG CA . 34120 1 1231 . 2 1 47 47 ARG CB C 13 31.394 0.025 . 1 . 1752 . B 176 ARG CB . 34120 1 1232 . 2 1 47 47 ARG CG C 13 27.406 0.016 . 1 . 1738 . B 176 ARG CG . 34120 1 1233 . 2 1 47 47 ARG CD C 13 42.898 0.074 . 1 . 1746 . B 176 ARG CD . 34120 1 1234 . 2 1 47 47 ARG N N 15 122.013 0.036 . 1 . 1755 . B 176 ARG N . 34120 1 1235 . 2 1 48 48 ARG H H 1 8.224 0.009 . 1 . 2204 . B 177 ARG H . 34120 1 1236 . 2 1 48 48 ARG HA H 1 3.985 . . 1 . 2212 . B 177 ARG HA . 34120 1 1237 . 2 1 48 48 ARG HB2 H 1 1.812 0.019 . 2 . 2389 . B 177 ARG HB2 . 34120 1 1238 . 2 1 48 48 ARG HB3 H 1 1.743 0.004 . 2 . 2390 . B 177 ARG HB3 . 34120 1 1239 . 2 1 48 48 ARG C C 13 178.734 . . 1 . 2199 . B 177 ARG C . 34120 1 1240 . 2 1 48 48 ARG CA C 13 55.687 0.057 . 1 . 2194 . B 177 ARG CA . 34120 1 1241 . 2 1 48 48 ARG CB C 13 33.403 0.015 . 1 . 2208 . B 177 ARG CB . 34120 1 1242 . 2 1 48 48 ARG N N 15 125.336 0.029 . 1 . 2210 . B 177 ARG N . 34120 1 1243 . 2 1 49 49 LYS HA H 1 4.188 0.004 . 1 . 1717 . B 178 LYS HA . 34120 1 1244 . 2 1 49 49 LYS HB2 H 1 1.975 0.008 . 2 . 1727 . B 178 LYS HB2 . 34120 1 1245 . 2 1 49 49 LYS HB3 H 1 1.936 0.007 . 2 . 1728 . B 178 LYS HB3 . 34120 1 1246 . 2 1 49 49 LYS HG2 H 1 1.647 0.004 . 2 . 1714 . B 178 LYS HG2 . 34120 1 1247 . 2 1 49 49 LYS HG3 H 1 1.593 0.008 . 2 . 1715 . B 178 LYS HG3 . 34120 1 1248 . 2 1 49 49 LYS HD2 H 1 1.768 0.003 . 1 . 1707 . B 178 LYS HD2 . 34120 1 1249 . 2 1 49 49 LYS HE2 H 1 3.002 . . 2 . 1730 . B 178 LYS HE2 . 34120 1 1250 . 2 1 49 49 LYS HE3 H 1 3.076 0.003 . 2 . 1731 . B 178 LYS HE3 . 34120 1 1251 . 2 1 49 49 LYS CA C 13 58.471 0.048 . 1 . 1709 . B 178 LYS CA . 34120 1 1252 . 2 1 49 49 LYS CB C 13 32.002 0.022 . 1 . 1721 . B 178 LYS CB . 34120 1 1253 . 2 1 49 49 LYS CG C 13 25.260 0.073 . 1 . 1712 . B 178 LYS CG . 34120 1 1254 . 2 1 49 49 LYS CD C 13 28.933 0.017 . 1 . 1729 . B 178 LYS CD . 34120 1 1255 . 2 1 49 49 LYS CE C 13 42.313 0.035 . 1 . 1713 . B 178 LYS CE . 34120 1 1256 . 2 1 50 50 ASP H H 1 7.749 0.012 . 1 . 1663 . B 179 ASP H . 34120 1 1257 . 2 1 50 50 ASP HA H 1 4.524 0.014 . 1 . 1660 . B 179 ASP HA . 34120 1 1258 . 2 1 50 50 ASP HB2 H 1 2.590 0.017 . 2 . 1668 . B 179 ASP HB2 . 34120 1 1259 . 2 1 50 50 ASP HB3 H 1 3.096 0.006 . 2 . 1669 . B 179 ASP HB3 . 34120 1 1260 . 2 1 50 50 ASP C C 13 176.949 0.035 . 1 . 1661 . B 179 ASP C . 34120 1 1261 . 2 1 50 50 ASP CA C 13 53.025 0.026 . 1 . 1665 . B 179 ASP CA . 34120 1 1262 . 2 1 50 50 ASP CB C 13 39.891 0.024 . 1 . 1666 . B 179 ASP CB . 34120 1 1263 . 2 1 50 50 ASP N N 15 115.174 0.008 . 1 . 1659 . B 179 ASP N . 34120 1 1264 . 2 1 51 51 GLY H H 1 7.769 0.01 . 1 . 1816 . B 180 GLY H . 34120 1 1265 . 2 1 51 51 GLY HA2 H 1 4.186 0.006 . 2 . 1813 . B 180 GLY HA2 . 34120 1 1266 . 2 1 51 51 GLY HA3 H 1 3.565 0.006 . 2 . 1814 . B 180 GLY HA3 . 34120 1 1267 . 2 1 51 51 GLY C C 13 174.384 0.014 . 1 . 1815 . B 180 GLY C . 34120 1 1268 . 2 1 51 51 GLY CA C 13 45.456 0.028 . 1 . 1817 . B 180 GLY CA . 34120 1 1269 . 2 1 51 51 GLY N N 15 107.464 0.068 . 1 . 1811 . B 180 GLY N . 34120 1 1270 . 2 1 52 52 LYS H H 1 7.244 0.015 . 1 . 1412 . B 181 LYS H . 34120 1 1271 . 2 1 52 52 LYS HA H 1 4.394 0.004 . 1 . 2347 . B 181 LYS HA . 34120 1 1272 . 2 1 52 52 LYS HB2 H 1 1.654 0.006 . 2 . 1415 . B 181 LYS HB2 . 34120 1 1273 . 2 1 52 52 LYS HB3 H 1 1.810 0.004 . 2 . 1416 . B 181 LYS HB3 . 34120 1 1274 . 2 1 52 52 LYS HG2 H 1 1.262 0.001 . 2 . 1402 . B 181 LYS HG2 . 34120 1 1275 . 2 1 52 52 LYS HG3 H 1 1.222 0.011 . 2 . 1403 . B 181 LYS HG3 . 34120 1 1276 . 2 1 52 52 LYS HD2 H 1 1.502 0.013 . 2 . 1394 . B 181 LYS HD2 . 34120 1 1277 . 2 1 52 52 LYS HD3 H 1 1.834 . . 2 . 1395 . B 181 LYS HD3 . 34120 1 1278 . 2 1 52 52 LYS C C 13 173.841 0.022 . 1 . 1404 . B 181 LYS C . 34120 1 1279 . 2 1 52 52 LYS CA C 13 55.186 0.028 . 1 . 1397 . B 181 LYS CA . 34120 1 1280 . 2 1 52 52 LYS CB C 13 33.290 0.027 . 1 . 1409 . B 181 LYS CB . 34120 1 1281 . 2 1 52 52 LYS CG C 13 26.213 0.057 . 1 . 1400 . B 181 LYS CG . 34120 1 1282 . 2 1 52 52 LYS CD C 13 29.470 0.064 . 1 . 1408 . B 181 LYS CD . 34120 1 1283 . 2 1 52 52 LYS CE C 13 42.397 . . 1 . 1401 . B 181 LYS CE . 34120 1 1284 . 2 1 52 52 LYS N N 15 118.711 0.034 . 1 . 1417 . B 181 LYS N . 34120 1 1285 . 2 1 53 53 TYR H H 1 8.315 0.007 . 1 . 2257 . B 182 TYR H . 34120 1 1286 . 2 1 53 53 TYR HA H 1 5.118 0.008 . 1 . 2253 . B 182 TYR HA . 34120 1 1287 . 2 1 53 53 TYR HB2 H 1 2.683 0.014 . 2 . 2265 . B 182 TYR HB2 . 34120 1 1288 . 2 1 53 53 TYR HB3 H 1 2.758 0.003 . 2 . 2266 . B 182 TYR HB3 . 34120 1 1289 . 2 1 53 53 TYR HD1 H 1 6.901 0.003 . 1 . 2255 . B 182 TYR HD1 . 34120 1 1290 . 2 1 53 53 TYR HD2 H 1 6.901 0.003 . 1 . 2255 . B 182 TYR HD2 . 34120 1 1291 . 2 1 53 53 TYR HE1 H 1 6.759 0.006 . 1 . 2256 . B 182 TYR HE1 . 34120 1 1292 . 2 1 53 53 TYR HE2 H 1 6.759 0.006 . 1 . 2256 . B 182 TYR HE2 . 34120 1 1293 . 2 1 53 53 TYR C C 13 175.017 0.034 . 1 . 2254 . B 182 TYR C . 34120 1 1294 . 2 1 53 53 TYR CA C 13 57.223 0.077 . 1 . 2260 . B 182 TYR CA . 34120 1 1295 . 2 1 53 53 TYR CB C 13 40.199 0.022 . 1 . 2261 . B 182 TYR CB . 34120 1 1296 . 2 1 53 53 TYR CD1 C 13 132.915 0.011 . 1 . 2268 . B 182 TYR CD1 . 34120 1 1297 . 2 1 53 53 TYR CD2 C 13 132.915 0.011 . 1 . 2268 . B 182 TYR CD2 . 34120 1 1298 . 2 1 53 53 TYR CE1 C 13 118.361 0.011 . 1 . 2267 . B 182 TYR CE1 . 34120 1 1299 . 2 1 53 53 TYR CE2 C 13 118.361 0.011 . 1 . 2267 . B 182 TYR CE2 . 34120 1 1300 . 2 1 53 53 TYR N N 15 117.589 0.027 . 1 . 2252 . B 182 TYR N . 34120 1 1301 . 2 1 54 54 GLY H H 1 8.713 0.014 . 1 . 1654 . B 183 GLY H . 34120 1 1302 . 2 1 54 54 GLY HA2 H 1 4.972 0.015 . 2 . 1656 . B 183 GLY HA2 . 34120 1 1303 . 2 1 54 54 GLY HA3 H 1 2.633 0.016 . 2 . 1657 . B 183 GLY HA3 . 34120 1 1304 . 2 1 54 54 GLY C C 13 171.727 0.0 . 1 . 1653 . B 183 GLY C . 34120 1 1305 . 2 1 54 54 GLY CA C 13 43.336 0.021 . 1 . 1655 . B 183 GLY CA . 34120 1 1306 . 2 1 54 54 GLY N N 15 109.659 0.043 . 1 . 1650 . B 183 GLY N . 34120 1 1307 . 2 1 55 55 LEU H H 1 7.723 0.008 . 1 . 1993 . B 184 LEU H . 34120 1 1308 . 2 1 55 55 LEU HA H 1 5.505 0.004 . 1 . 1981 . B 184 LEU HA . 34120 1 1309 . 2 1 55 55 LEU HB2 H 1 1.512 0.01 . 2 . 1997 . B 184 LEU HB2 . 34120 1 1310 . 2 1 55 55 LEU HB3 H 1 1.319 0.011 . 2 . 1998 . B 184 LEU HB3 . 34120 1 1311 . 2 1 55 55 LEU HG H 1 1.378 0.01 . 1 . 1988 . B 184 LEU HG . 34120 1 1312 . 2 1 55 55 LEU HD11 H 1 0.920 0.004 . 2 . 1994 . B 184 LEU HD11 . 34120 1 1313 . 2 1 55 55 LEU HD12 H 1 0.920 0.004 . 2 . 1994 . B 184 LEU HD12 . 34120 1 1314 . 2 1 55 55 LEU HD13 H 1 0.920 0.004 . 2 . 1994 . B 184 LEU HD13 . 34120 1 1315 . 2 1 55 55 LEU HD21 H 1 1.054 0.004 . 2 . 1995 . B 184 LEU HD21 . 34120 1 1316 . 2 1 55 55 LEU HD22 H 1 1.054 0.004 . 2 . 1995 . B 184 LEU HD22 . 34120 1 1317 . 2 1 55 55 LEU HD23 H 1 1.054 0.004 . 2 . 1995 . B 184 LEU HD23 . 34120 1 1318 . 2 1 55 55 LEU C C 13 175.137 0.0 . 1 . 1987 . B 184 LEU C . 34120 1 1319 . 2 1 55 55 LEU CA C 13 53.666 0.046 . 1 . 1992 . B 184 LEU CA . 34120 1 1320 . 2 1 55 55 LEU CB C 13 46.895 0.043 . 1 . 1990 . B 184 LEU CB . 34120 1 1321 . 2 1 55 55 LEU CG C 13 28.463 0.011 . 1 . 1996 . B 184 LEU CG . 34120 1 1322 . 2 1 55 55 LEU CD1 C 13 26.320 0.033 . 2 . 1986 . B 184 LEU CD1 . 34120 1 1323 . 2 1 55 55 LEU CD2 C 13 24.194 0.053 . 2 . 1985 . B 184 LEU CD2 . 34120 1 1324 . 2 1 55 55 LEU N N 15 120.282 0.056 . 1 . 1979 . B 184 LEU N . 34120 1 1325 . 2 1 56 56 ILE H H 1 9.604 0.009 . 1 . 1871 . B 185 ILE H . 34120 1 1326 . 2 1 56 56 ILE HA H 1 4.477 0.008 . 1 . 1863 . B 185 ILE HA . 34120 1 1327 . 2 1 56 56 ILE HB H 1 1.760 0.004 . 1 . 1874 . B 185 ILE HB . 34120 1 1328 . 2 1 56 56 ILE HG12 H 1 1.086 0.012 . 2 . 1869 . B 185 ILE HG12 . 34120 1 1329 . 2 1 56 56 ILE HG13 H 1 1.748 0.017 . 2 . 1870 . B 185 ILE HG13 . 34120 1 1330 . 2 1 56 56 ILE HG21 H 1 0.611 0.013 . 1 . 1866 . B 185 ILE HG21 . 34120 1 1331 . 2 1 56 56 ILE HG22 H 1 0.611 0.013 . 1 . 1866 . B 185 ILE HG22 . 34120 1 1332 . 2 1 56 56 ILE HG23 H 1 0.611 0.013 . 1 . 1866 . B 185 ILE HG23 . 34120 1 1333 . 2 1 56 56 ILE HD11 H 1 0.704 0.02 . 1 . 1864 . B 185 ILE HD11 . 34120 1 1334 . 2 1 56 56 ILE HD12 H 1 0.704 0.02 . 1 . 1864 . B 185 ILE HD12 . 34120 1 1335 . 2 1 56 56 ILE HD13 H 1 0.704 0.02 . 1 . 1864 . B 185 ILE HD13 . 34120 1 1336 . 2 1 56 56 ILE C C 13 175.012 0.041 . 1 . 1865 . B 185 ILE C . 34120 1 1337 . 2 1 56 56 ILE CA C 13 60.434 0.05 . 1 . 1868 . B 185 ILE CA . 34120 1 1338 . 2 1 56 56 ILE CB C 13 40.879 0.039 . 1 . 1867 . B 185 ILE CB . 34120 1 1339 . 2 1 56 56 ILE CG1 C 13 27.786 0.034 . 1 . 1862 . B 185 ILE CG1 . 34120 1 1340 . 2 1 56 56 ILE CG2 C 13 17.009 0.031 . 1 . 1873 . B 185 ILE CG2 . 34120 1 1341 . 2 1 56 56 ILE CD1 C 13 14.622 0.023 . 1 . 1861 . B 185 ILE CD1 . 34120 1 1342 . 2 1 56 56 ILE N N 15 128.516 0.045 . 1 . 1860 . B 185 ILE N . 34120 1 1343 . 2 1 57 57 GLN H H 1 8.736 0.012 . 1 . 1614 . B 186 GLN H . 34120 1 1344 . 2 1 57 57 GLN HA H 1 4.982 0.003 . 1 . 1601 . B 186 GLN HA . 34120 1 1345 . 2 1 57 57 GLN HG2 H 1 2.379 0.005 . 2 . 1604 . B 186 GLN HG2 . 34120 1 1346 . 2 1 57 57 GLN HG3 H 1 2.150 0.008 . 2 . 1605 . B 186 GLN HG3 . 34120 1 1347 . 2 1 57 57 GLN HE21 H 1 7.016 0.008 . 1 . 1616 . B 186 GLN HE21 . 34120 1 1348 . 2 1 57 57 GLN HE22 H 1 8.245 0.02 . 1 . 1617 . B 186 GLN HE22 . 34120 1 1349 . 2 1 57 57 GLN C C 13 176.078 0.01 . 1 . 1606 . B 186 GLN C . 34120 1 1350 . 2 1 57 57 GLN CA C 13 54.610 0.029 . 1 . 1611 . B 186 GLN CA . 34120 1 1351 . 2 1 57 57 GLN CB C 13 30.732 0.034 . 1 . 1609 . B 186 GLN CB . 34120 1 1352 . 2 1 57 57 GLN CG C 13 34.158 0.015 . 1 . 1607 . B 186 GLN CG . 34120 1 1353 . 2 1 57 57 GLN N N 15 126.194 0.041 . 1 . 1600 . B 186 GLN N . 34120 1 1354 . 2 1 57 57 GLN NE2 N 15 114.931 0.138 . 1 . 1603 . B 186 GLN NE2 . 34120 1 1355 . 2 1 58 58 THR H H 1 7.869 0.006 . 1 . 1302 . B 187 THR H . 34120 1 1356 . 2 1 58 58 THR HA H 1 4.420 0.006 . 1 . 1297 . B 187 THR HA . 34120 1 1357 . 2 1 58 58 THR HB H 1 4.198 0.004 . 1 . 1304 . B 187 THR HB . 34120 1 1358 . 2 1 58 58 THR HG21 H 1 0.935 0.002 . 1 . 1299 . B 187 THR HG21 . 34120 1 1359 . 2 1 58 58 THR HG22 H 1 0.935 0.002 . 1 . 1299 . B 187 THR HG22 . 34120 1 1360 . 2 1 58 58 THR HG23 H 1 0.935 0.002 . 1 . 1299 . B 187 THR HG23 . 34120 1 1361 . 2 1 58 58 THR C C 13 174.270 0.024 . 1 . 1298 . B 187 THR C . 34120 1 1362 . 2 1 58 58 THR CA C 13 62.416 0.067 . 1 . 1301 . B 187 THR CA . 34120 1 1363 . 2 1 58 58 THR CB C 13 69.588 0.05 . 1 . 1300 . B 187 THR CB . 34120 1 1364 . 2 1 58 58 THR CG2 C 13 21.286 0.022 . 1 . 1303 . B 187 THR CG2 . 34120 1 1365 . 2 1 58 58 THR N N 15 113.729 0.033 . 1 . 1296 . B 187 THR N . 34120 1 1366 . 2 1 59 59 SER H H 1 8.131 0.008 . 1 . 1554 . B 188 SER H . 34120 1 1367 . 2 1 59 59 SER HA H 1 4.526 0.001 . 1 . 1550 . B 188 SER HA . 34120 1 1368 . 2 1 59 59 SER HB2 H 1 3.787 0.002 . 2 . 1558 . B 188 SER HB2 . 34120 1 1369 . 2 1 59 59 SER HB3 H 1 3.825 0.009 . 2 . 1559 . B 188 SER HB3 . 34120 1 1370 . 2 1 59 59 SER C C 13 174.144 0.019 . 1 . 1551 . B 188 SER C . 34120 1 1371 . 2 1 59 59 SER CA C 13 58.014 0.032 . 1 . 1556 . B 188 SER CA . 34120 1 1372 . 2 1 59 59 SER CB C 13 64.313 0.025 . 1 . 1557 . B 188 SER CB . 34120 1 1373 . 2 1 59 59 SER N N 15 115.602 0.039 . 1 . 1549 . B 188 SER N . 34120 1 1374 . 2 1 60 60 GLU H H 1 8.361 0.012 . 1 . 1803 . B 189 GLU H . 34120 1 1375 . 2 1 60 60 GLU HA H 1 4.319 0.022 . 1 . 1797 . B 189 GLU HA . 34120 1 1376 . 2 1 60 60 GLU HB2 H 1 2.005 0.006 . 2 . 1809 . B 189 GLU HB2 . 34120 1 1377 . 2 1 60 60 GLU HB3 H 1 1.897 0.016 . 2 . 1810 . B 189 GLU HB3 . 34120 1 1378 . 2 1 60 60 GLU HG2 H 1 2.124 . . 2 . 1798 . B 189 GLU HG2 . 34120 1 1379 . 2 1 60 60 GLU HG3 H 1 2.235 0.003 . 2 . 1799 . B 189 GLU HG3 . 34120 1 1380 . 2 1 60 60 GLU C C 13 176.298 0.017 . 1 . 1800 . B 189 GLU C . 34120 1 1381 . 2 1 60 60 GLU CA C 13 56.539 0.041 . 1 . 1805 . B 189 GLU CA . 34120 1 1382 . 2 1 60 60 GLU CB C 13 30.495 0.051 . 1 . 1806 . B 189 GLU CB . 34120 1 1383 . 2 1 60 60 GLU CG C 13 36.360 0.017 . 1 . 1807 . B 189 GLU CG . 34120 1 1384 . 2 1 60 60 GLU N N 15 122.199 0.027 . 1 . 1795 . B 189 GLU N . 34120 1 1385 . 2 1 61 61 GLN H H 1 8.302 0.01 . 1 . 1632 . B 190 GLN H . 34120 1 1386 . 2 1 61 61 GLN HA H 1 4.234 0.004 . 1 . 1620 . B 190 GLN HA . 34120 1 1387 . 2 1 61 61 GLN HB2 H 1 1.937 . . 1 . 1635 . B 190 GLN HB2 . 34120 1 1388 . 2 1 61 61 GLN HG2 H 1 2.224 0.006 . 1 . 1622 . B 190 GLN HG2 . 34120 1 1389 . 2 1 61 61 GLN HE21 H 1 7.417 0.007 . 1 . 1629 . B 190 GLN HE21 . 34120 1 1390 . 2 1 61 61 GLN HE22 H 1 6.785 0.007 . 1 . 1630 . B 190 GLN HE22 . 34120 1 1391 . 2 1 61 61 GLN C C 13 175.716 . . 1 . 1623 . B 190 GLN C . 34120 1 1392 . 2 1 61 61 GLN CA C 13 55.972 0.067 . 1 . 1628 . B 190 GLN CA . 34120 1 1393 . 2 1 61 61 GLN CB C 13 29.521 0.027 . 1 . 1626 . B 190 GLN CB . 34120 1 1394 . 2 1 61 61 GLN CG C 13 33.753 0.017 . 1 . 1631 . B 190 GLN CG . 34120 1 1395 . 2 1 61 61 GLN N N 15 120.668 0.025 . 1 . 1633 . B 190 GLN N . 34120 1 1396 . 2 1 61 61 GLN NE2 N 15 111.670 0.043 . 1 . 1621 . B 190 GLN NE2 . 34120 1 stop_ save_