data_34450 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34450 _Entry.Title ; Solution structure of RfaH C-terminal domain from Vibrio cholerae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-11-13 _Entry.Accession_date 2019-11-13 _Entry.Last_release_date 2019-11-20 _Entry.Original_release_date 2019-11-20 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34450 stop_ 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 P. Zuber P. K. . . 34450 2 K. Schweimer K. . . . 34450 3 S. Knauer S. H. . . 34450 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'NusG paralog' . 34450 TRANSCRIPTION . 34450 'fold switching' . 34450 'transcription factor' . 34450 'transformer protein' . 34450 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34450 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 34450 '15N chemical shifts' 68 34450 '1H chemical shifts' 467 34450 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2023-01-09 2019-11-13 update BMRB 'update entry citation' 34450 1 . . 2021-11-19 2019-11-13 original author 'original release' 34450 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6TF4 . 34450 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34450 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36255050 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural and thermodynamic analyses of the beta-to-alpha transformation in RfaH reveal principles of fold-switching proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Elife _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e76630 _Citation.Page_last e76630 _Citation.Year 2022 _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 Philipp Zuber . K. . . 34450 1 2 Tina Daviter . . . . 34450 1 3 Ramona Heissmann . . . . 34450 1 4 Ulrike Persau . . . . 34450 1 5 Kristian Schweimer . . . . 34450 1 6 Stefan Knauer . H. . . 34450 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34450 _Assembly.ID 1 _Assembly.Name 'Transcription/translation regulatory transformer protein RfaH' _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 $entity_1 A A yes . . . . . . 34450 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34450 _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 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGEQLKHATKQLPEKGQT VRVARGQFAGIEAIYLEPDG DTRSIMLVKMISQQVPMSIE NTDWEVT ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7438.494 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 99 GLY . 34450 1 2 100 ALA . 34450 1 3 101 MET . 34450 1 4 102 GLY . 34450 1 5 103 GLU . 34450 1 6 104 GLN . 34450 1 7 105 LEU . 34450 1 8 106 LYS . 34450 1 9 107 HIS . 34450 1 10 108 ALA . 34450 1 11 109 THR . 34450 1 12 110 LYS . 34450 1 13 111 GLN . 34450 1 14 112 LEU . 34450 1 15 113 PRO . 34450 1 16 114 GLU . 34450 1 17 115 LYS . 34450 1 18 116 GLY . 34450 1 19 117 GLN . 34450 1 20 118 THR . 34450 1 21 119 VAL . 34450 1 22 120 ARG . 34450 1 23 121 VAL . 34450 1 24 122 ALA . 34450 1 25 123 ARG . 34450 1 26 124 GLY . 34450 1 27 125 GLN . 34450 1 28 126 PHE . 34450 1 29 127 ALA . 34450 1 30 128 GLY . 34450 1 31 129 ILE . 34450 1 32 130 GLU . 34450 1 33 131 ALA . 34450 1 34 132 ILE . 34450 1 35 133 TYR . 34450 1 36 134 LEU . 34450 1 37 135 GLU . 34450 1 38 136 PRO . 34450 1 39 137 ASP . 34450 1 40 138 GLY . 34450 1 41 139 ASP . 34450 1 42 140 THR . 34450 1 43 141 ARG . 34450 1 44 142 SER . 34450 1 45 143 ILE . 34450 1 46 144 MET . 34450 1 47 145 LEU . 34450 1 48 146 VAL . 34450 1 49 147 LYS . 34450 1 50 148 MET . 34450 1 51 149 ILE . 34450 1 52 150 SER . 34450 1 53 151 GLN . 34450 1 54 152 GLN . 34450 1 55 153 VAL . 34450 1 56 154 PRO . 34450 1 57 155 MET . 34450 1 58 156 SER . 34450 1 59 157 ILE . 34450 1 60 158 GLU . 34450 1 61 159 ASN . 34450 1 62 160 THR . 34450 1 63 161 ASP . 34450 1 64 162 TRP . 34450 1 65 163 GLU . 34450 1 66 164 VAL . 34450 1 67 165 THR . 34450 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34450 1 . ALA 2 2 34450 1 . MET 3 3 34450 1 . GLY 4 4 34450 1 . GLU 5 5 34450 1 . GLN 6 6 34450 1 . LEU 7 7 34450 1 . LYS 8 8 34450 1 . HIS 9 9 34450 1 . ALA 10 10 34450 1 . THR 11 11 34450 1 . LYS 12 12 34450 1 . GLN 13 13 34450 1 . LEU 14 14 34450 1 . PRO 15 15 34450 1 . GLU 16 16 34450 1 . LYS 17 17 34450 1 . GLY 18 18 34450 1 . GLN 19 19 34450 1 . THR 20 20 34450 1 . VAL 21 21 34450 1 . ARG 22 22 34450 1 . VAL 23 23 34450 1 . ALA 24 24 34450 1 . ARG 25 25 34450 1 . GLY 26 26 34450 1 . GLN 27 27 34450 1 . PHE 28 28 34450 1 . ALA 29 29 34450 1 . GLY 30 30 34450 1 . ILE 31 31 34450 1 . GLU 32 32 34450 1 . ALA 33 33 34450 1 . ILE 34 34 34450 1 . TYR 35 35 34450 1 . LEU 36 36 34450 1 . GLU 37 37 34450 1 . PRO 38 38 34450 1 . ASP 39 39 34450 1 . GLY 40 40 34450 1 . ASP 41 41 34450 1 . THR 42 42 34450 1 . ARG 43 43 34450 1 . SER 44 44 34450 1 . ILE 45 45 34450 1 . MET 46 46 34450 1 . LEU 47 47 34450 1 . VAL 48 48 34450 1 . LYS 49 49 34450 1 . MET 50 50 34450 1 . ILE 51 51 34450 1 . SER 52 52 34450 1 . GLN 53 53 34450 1 . GLN 54 54 34450 1 . VAL 55 55 34450 1 . PRO 56 56 34450 1 . MET 57 57 34450 1 . SER 58 58 34450 1 . ILE 59 59 34450 1 . GLU 60 60 34450 1 . ASN 61 61 34450 1 . THR 62 62 34450 1 . ASP 63 63 34450 1 . TRP 64 64 34450 1 . GLU 65 65 34450 1 . VAL 66 66 34450 1 . THR 67 67 34450 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 34450 _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 . 666 organism . 'Vibrio cholerae' 'Vibrio cholerae' . . Bacteria . Vibrio cholerae . . . . . . . . . . . 'rfaH, FLM11_14060, FPW41_04940' . 34450 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 34450 _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)' . 'Expression reults in fusion protein His6-Gb1-TEV-protease cleavage site-VcRfaH-CTD' 469008 . . B . . plasmid . . pETGb1a_vcrfaH-CTD . . . 34450 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34450 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-99% 13C; U-99% 15N] Vibrio cholerae RfaH C-terminal domain, 20 mM sodium phosphate, 100 mM sodium chloride, 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 'Vibrio cholerae RfaH C-terminal domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34450 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34450 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34450 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34450 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-99% 13C; U-99% 15N] Vibrio cholerae RfaH C-terminal domain, 10 mM potassium phosphate, 50 mM potassium chloride, 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 'Vibrio cholerae RfaH C-terminal domain' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 34450 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 34450 2 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34450 2 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 34450 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 136 . mM 34450 1 pH 6.5 . pH 34450 1 pressure 1 . atm 34450 1 temperature 298 . K 34450 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 34450 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 98 . mM 34450 2 pH 7.5 . pH 34450 2 pressure 1 . atm 34450 2 temperature 298 . K 34450 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34450 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 'v3.5 pl5' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34450 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34450 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34450 _Software.ID 2 _Software.Type . _Software.Name NMRViewJ _Software.Version v9.2.0-b2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 34450 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34450 2 'data analysis' . 34450 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34450 _Software.ID 3 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 34450 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34450 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34450 _Software.ID 4 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version v1.2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34450 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34450 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 34450 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34450 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with cyro probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34450 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'equipped with cyro probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Ascend Aeon' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34450 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 AVANCE . 600 . . . 34450 1 2 NMR_spectrometer_2 Bruker AVANCE . 700 . . . 34450 1 3 NMR_spectrometer_3 Bruker 'Ascend Aeon' . 900 . . . 34450 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 34450 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34450 1 2 '2D 1H-13C ctHSQC aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34450 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34450 1 4 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34450 1 5 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34450 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34450 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34450 1 8 '3D CCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34450 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34450 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34450 1 11 '3D CACO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34450 1 12 '3D CON' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34450 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34450 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34450 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34450 1 16 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34450 1 17 '3D long range HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34450 1 18 '13CO spinecho difference 13C ctHSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34450 1 19 '15N spinecho difference 13C ctHSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34450 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 34450 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 34450 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34450 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34450 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 34450 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.20 _Assigned_chem_shift_list.Chem_shift_15N_err 0.20 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34450 1 2 '2D 1H-13C ctHSQC aliphatic' . . . 34450 1 3 '2D 1H-13C HSQC aromatic' . . . 34450 1 4 '3D HNCO' . . . 34450 1 5 '3D HNCA' . . . 34450 1 6 '3D HNCACB' . . . 34450 1 7 '3D CBCA(CO)NH' . . . 34450 1 8 '3D CCH-TOCSY' . . . 34450 1 9 '3D HCCH-TOCSY' . . . 34450 1 10 '3D HBHA(CO)NH' . . . 34450 1 11 '3D CACO' . . . 34450 1 12 '3D CON' . . . 34450 1 13 '3D 1H-13C NOESY aliphatic' . . . 34450 1 14 '3D 1H-13C NOESY aromatic' . . . 34450 1 15 '3D 1H-15N NOESY' . . . 34450 1 16 '3D C(CO)NH' . . . 34450 1 17 '3D long range HNCO' . . . 34450 1 18 '13CO spinecho difference 13C ctHSQC' . . . 34450 1 19 '15N spinecho difference 13C ctHSQC' . . . 34450 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY C C 13 172.16 0.20 . 1 . . . . A 99 GLY C . 34450 1 2 . 1 . 1 2 2 ALA HA H 1 4.37 0.03 . 1 . . . . A 100 ALA HA . 34450 1 3 . 1 . 1 2 2 ALA HB1 H 1 1.40 0.03 . 1 . . . . A 100 ALA HB1 . 34450 1 4 . 1 . 1 2 2 ALA HB2 H 1 1.40 0.03 . 1 . . . . A 100 ALA HB2 . 34450 1 5 . 1 . 1 2 2 ALA HB3 H 1 1.40 0.03 . 1 . . . . A 100 ALA HB3 . 34450 1 6 . 1 . 1 2 2 ALA C C 13 178.02 0.20 . 1 . . . . A 100 ALA C . 34450 1 7 . 1 . 1 2 2 ALA CA C 13 52.62 0.20 . 1 . . . . A 100 ALA CA . 34450 1 8 . 1 . 1 2 2 ALA CB C 13 19.43 0.20 . 1 . . . . A 100 ALA CB . 34450 1 9 . 1 . 1 2 2 ALA N N 15 123.89 0.20 . 1 . . . . A 100 ALA N . 34450 1 10 . 1 . 1 3 3 MET H H 1 8.59 0.03 . 1 . . . . A 101 MET H . 34450 1 11 . 1 . 1 3 3 MET HA H 1 4.49 0.03 . 1 . . . . A 101 MET HA . 34450 1 12 . 1 . 1 3 3 MET HB2 H 1 2.12 0.03 . 2 . . . . A 101 MET HB2 . 34450 1 13 . 1 . 1 3 3 MET HB3 H 1 2.05 0.03 . 2 . . . . A 101 MET HB3 . 34450 1 14 . 1 . 1 3 3 MET HG2 H 1 2.64 0.03 . 2 . . . . A 101 MET HG2 . 34450 1 15 . 1 . 1 3 3 MET HG3 H 1 2.58 0.03 . 2 . . . . A 101 MET HG3 . 34450 1 16 . 1 . 1 3 3 MET HE1 H 1 2.11 0.03 . 1 . . . . A 101 MET HE1 . 34450 1 17 . 1 . 1 3 3 MET HE2 H 1 2.11 0.03 . 1 . . . . A 101 MET HE2 . 34450 1 18 . 1 . 1 3 3 MET HE3 H 1 2.11 0.03 . 1 . . . . A 101 MET HE3 . 34450 1 19 . 1 . 1 3 3 MET C C 13 176.95 0.20 . 1 . . . . A 101 MET C . 34450 1 20 . 1 . 1 3 3 MET CA C 13 55.83 0.20 . 1 . . . . A 101 MET CA . 34450 1 21 . 1 . 1 3 3 MET CB C 13 32.77 0.20 . 1 . . . . A 101 MET CB . 34450 1 22 . 1 . 1 3 3 MET CG C 13 32.05 0.20 . 1 . . . . A 101 MET CG . 34450 1 23 . 1 . 1 3 3 MET CE C 13 16.93 0.20 . 1 . . . . A 101 MET CE . 34450 1 24 . 1 . 1 3 3 MET N N 15 119.96 0.20 . 1 . . . . A 101 MET N . 34450 1 25 . 1 . 1 4 4 GLY H H 1 8.47 0.03 . 1 . . . . A 102 GLY H . 34450 1 26 . 1 . 1 4 4 GLY HA2 H 1 3.98 0.03 . 2 . . . . A 102 GLY HA2 . 34450 1 27 . 1 . 1 4 4 GLY HA3 H 1 3.95 0.03 . 2 . . . . A 102 GLY HA3 . 34450 1 28 . 1 . 1 4 4 GLY C C 13 174.42 0.20 . 1 . . . . A 102 GLY C . 34450 1 29 . 1 . 1 4 4 GLY CA C 13 45.47 0.20 . 1 . . . . A 102 GLY CA . 34450 1 30 . 1 . 1 4 4 GLY N N 15 110.25 0.20 . 1 . . . . A 102 GLY N . 34450 1 31 . 1 . 1 5 5 GLU H H 1 8.31 0.03 . 1 . . . . A 103 GLU H . 34450 1 32 . 1 . 1 5 5 GLU HA H 1 4.25 0.03 . 1 . . . . A 103 GLU HA . 34450 1 33 . 1 . 1 5 5 GLU HB2 H 1 2.05 0.03 . 2 . . . . A 103 GLU HB2 . 34450 1 34 . 1 . 1 5 5 GLU HB3 H 1 1.96 0.03 . 2 . . . . A 103 GLU HB3 . 34450 1 35 . 1 . 1 5 5 GLU HG2 H 1 2.49 0.03 . 2 . . . . A 103 GLU HG2 . 34450 1 36 . 1 . 1 5 5 GLU HG3 H 1 2.49 0.03 . 2 . . . . A 103 GLU HG3 . 34450 1 37 . 1 . 1 5 5 GLU C C 13 176.74 0.20 . 1 . . . . A 103 GLU C . 34450 1 38 . 1 . 1 5 5 GLU CA C 13 56.90 0.20 . 1 . . . . A 103 GLU CA . 34450 1 39 . 1 . 1 5 5 GLU CB C 13 30.30 0.20 . 1 . . . . A 103 GLU CB . 34450 1 40 . 1 . 1 5 5 GLU CG C 13 36.94 0.20 . 1 . . . . A 103 GLU CG . 34450 1 41 . 1 . 1 5 5 GLU N N 15 120.97 0.20 . 1 . . . . A 103 GLU N . 34450 1 42 . 1 . 1 6 6 GLN H H 1 8.49 0.03 . 1 . . . . A 104 GLN H . 34450 1 43 . 1 . 1 6 6 GLN HA H 1 4.28 0.03 . 1 . . . . A 104 GLN HA . 34450 1 44 . 1 . 1 6 6 GLN HB2 H 1 2.10 0.03 . 2 . . . . A 104 GLN HB2 . 34450 1 45 . 1 . 1 6 6 GLN HB3 H 1 2.00 0.03 . 2 . . . . A 104 GLN HB3 . 34450 1 46 . 1 . 1 6 6 GLN HG2 H 1 2.33 0.03 . 2 . . . . A 104 GLN HG2 . 34450 1 47 . 1 . 1 6 6 GLN HG3 H 1 2.33 0.03 . 2 . . . . A 104 GLN HG3 . 34450 1 48 . 1 . 1 6 6 GLN C C 13 176.08 0.20 . 1 . . . . A 104 GLN C . 34450 1 49 . 1 . 1 6 6 GLN CA C 13 56.17 0.20 . 1 . . . . A 104 GLN CA . 34450 1 50 . 1 . 1 6 6 GLN CB C 13 29.26 0.20 . 1 . . . . A 104 GLN CB . 34450 1 51 . 1 . 1 6 6 GLN CG C 13 33.82 0.20 . 1 . . . . A 104 GLN CG . 34450 1 52 . 1 . 1 6 6 GLN N N 15 121.22 0.20 . 1 . . . . A 104 GLN N . 34450 1 53 . 1 . 1 7 7 LEU H H 1 8.21 0.03 . 1 . . . . A 105 LEU H . 34450 1 54 . 1 . 1 7 7 LEU HA H 1 4.30 0.03 . 1 . . . . A 105 LEU HA . 34450 1 55 . 1 . 1 7 7 LEU HB2 H 1 1.61 0.03 . 2 . . . . A 105 LEU HB2 . 34450 1 56 . 1 . 1 7 7 LEU HB3 H 1 1.51 0.03 . 2 . . . . A 105 LEU HB3 . 34450 1 57 . 1 . 1 7 7 LEU HG H 1 1.59 0.03 . 1 . . . . A 105 LEU HG . 34450 1 58 . 1 . 1 7 7 LEU HD11 H 1 0.86 0.03 . 1 . . . . A 105 LEU HD11 . 34450 1 59 . 1 . 1 7 7 LEU HD12 H 1 0.86 0.03 . 1 . . . . A 105 LEU HD12 . 34450 1 60 . 1 . 1 7 7 LEU HD13 H 1 0.86 0.03 . 1 . . . . A 105 LEU HD13 . 34450 1 61 . 1 . 1 7 7 LEU HD21 H 1 0.92 0.03 . 1 . . . . A 105 LEU HD21 . 34450 1 62 . 1 . 1 7 7 LEU HD22 H 1 0.92 0.03 . 1 . . . . A 105 LEU HD22 . 34450 1 63 . 1 . 1 7 7 LEU HD23 H 1 0.92 0.03 . 1 . . . . A 105 LEU HD23 . 34450 1 64 . 1 . 1 7 7 LEU C C 13 177.37 0.20 . 1 . . . . A 105 LEU C . 34450 1 65 . 1 . 1 7 7 LEU CA C 13 55.40 0.20 . 1 . . . . A 105 LEU CA . 34450 1 66 . 1 . 1 7 7 LEU CB C 13 42.21 0.20 . 1 . . . . A 105 LEU CB . 34450 1 67 . 1 . 1 7 7 LEU CG C 13 27.05 0.20 . 1 . . . . A 105 LEU CG . 34450 1 68 . 1 . 1 7 7 LEU CD1 C 13 23.48 0.20 . 2 . . . . A 105 LEU CD1 . 34450 1 69 . 1 . 1 7 7 LEU CD2 C 13 24.95 0.20 . 2 . . . . A 105 LEU CD2 . 34450 1 70 . 1 . 1 7 7 LEU N N 15 123.11 0.20 . 1 . . . . A 105 LEU N . 34450 1 71 . 1 . 1 8 8 LYS H H 1 8.21 0.03 . 1 . . . . A 106 LYS H . 34450 1 72 . 1 . 1 8 8 LYS HA H 1 4.24 0.03 . 1 . . . . A 106 LYS HA . 34450 1 73 . 1 . 1 8 8 LYS HB2 H 1 1.73 0.03 . 2 . . . . A 106 LYS HB2 . 34450 1 74 . 1 . 1 8 8 LYS HB3 H 1 1.73 0.03 . 2 . . . . A 106 LYS HB3 . 34450 1 75 . 1 . 1 8 8 LYS HG2 H 1 1.31 0.03 . 2 . . . . A 106 LYS HG2 . 34450 1 76 . 1 . 1 8 8 LYS HG3 H 1 1.37 0.03 . 2 . . . . A 106 LYS HG3 . 34450 1 77 . 1 . 1 8 8 LYS HD2 H 1 1.65 0.03 . 2 . . . . A 106 LYS HD2 . 34450 1 78 . 1 . 1 8 8 LYS HD3 H 1 1.65 0.03 . 2 . . . . A 106 LYS HD3 . 34450 1 79 . 1 . 1 8 8 LYS HE2 H 1 2.98 0.03 . 2 . . . . A 106 LYS HE2 . 34450 1 80 . 1 . 1 8 8 LYS HE3 H 1 2.98 0.03 . 2 . . . . A 106 LYS HE3 . 34450 1 81 . 1 . 1 8 8 LYS C C 13 176.32 0.20 . 1 . . . . A 106 LYS C . 34450 1 82 . 1 . 1 8 8 LYS CA C 13 56.39 0.20 . 1 . . . . A 106 LYS CA . 34450 1 83 . 1 . 1 8 8 LYS CB C 13 32.96 0.20 . 1 . . . . A 106 LYS CB . 34450 1 84 . 1 . 1 8 8 LYS CG C 13 24.68 0.20 . 1 . . . . A 106 LYS CG . 34450 1 85 . 1 . 1 8 8 LYS CD C 13 29.07 0.20 . 1 . . . . A 106 LYS CD . 34450 1 86 . 1 . 1 8 8 LYS CE C 13 42.66 0.20 . 1 . . . . A 106 LYS CE . 34450 1 87 . 1 . 1 8 8 LYS N N 15 121.80 0.20 . 1 . . . . A 106 LYS N . 34450 1 88 . 1 . 1 9 9 HIS H H 1 8.25 0.03 . 1 . . . . A 107 HIS H . 34450 1 89 . 1 . 1 9 9 HIS HA H 1 4.59 0.03 . 1 . . . . A 107 HIS HA . 34450 1 90 . 1 . 1 9 9 HIS HB2 H 1 3.11 0.03 . 2 . . . . A 107 HIS HB2 . 34450 1 91 . 1 . 1 9 9 HIS HB3 H 1 3.03 0.03 . 2 . . . . A 107 HIS HB3 . 34450 1 92 . 1 . 1 9 9 HIS HD2 H 1 6.98 0.03 . 1 . . . . A 107 HIS HD2 . 34450 1 93 . 1 . 1 9 9 HIS HE1 H 1 7.76 0.03 . 1 . . . . A 107 HIS HE1 . 34450 1 94 . 1 . 1 9 9 HIS C C 13 175.29 0.20 . 1 . . . . A 107 HIS C . 34450 1 95 . 1 . 1 9 9 HIS CA C 13 56.23 0.20 . 1 . . . . A 107 HIS CA . 34450 1 96 . 1 . 1 9 9 HIS CB C 13 31.23 0.20 . 1 . . . . A 107 HIS CB . 34450 1 97 . 1 . 1 9 9 HIS CD2 C 13 120.04 0.20 . 1 . . . . A 107 HIS CD2 . 34450 1 98 . 1 . 1 9 9 HIS CE1 C 13 138.64 0.20 . 1 . . . . A 107 HIS CE1 . 34450 1 99 . 1 . 1 9 9 HIS N N 15 120.05 0.20 . 1 . . . . A 107 HIS N . 34450 1 100 . 1 . 1 10 10 ALA H H 1 8.31 0.03 . 1 . . . . A 108 ALA H . 34450 1 101 . 1 . 1 10 10 ALA HA H 1 4.37 0.03 . 1 . . . . A 108 ALA HA . 34450 1 102 . 1 . 1 10 10 ALA HB1 H 1 1.38 0.03 . 1 . . . . A 108 ALA HB1 . 34450 1 103 . 1 . 1 10 10 ALA HB2 H 1 1.38 0.03 . 1 . . . . A 108 ALA HB2 . 34450 1 104 . 1 . 1 10 10 ALA HB3 H 1 1.38 0.03 . 1 . . . . A 108 ALA HB3 . 34450 1 105 . 1 . 1 10 10 ALA C C 13 177.74 0.20 . 1 . . . . A 108 ALA C . 34450 1 106 . 1 . 1 10 10 ALA CA C 13 52.67 0.20 . 1 . . . . A 108 ALA CA . 34450 1 107 . 1 . 1 10 10 ALA CB C 13 19.42 0.20 . 1 . . . . A 108 ALA CB . 34450 1 108 . 1 . 1 10 10 ALA N N 15 125.36 0.20 . 1 . . . . A 108 ALA N . 34450 1 109 . 1 . 1 11 11 THR H H 1 8.19 0.03 . 1 . . . . A 109 THR H . 34450 1 110 . 1 . 1 11 11 THR HA H 1 4.30 0.03 . 1 . . . . A 109 THR HA . 34450 1 111 . 1 . 1 11 11 THR HB H 1 4.18 0.03 . 1 . . . . A 109 THR HB . 34450 1 112 . 1 . 1 11 11 THR HG21 H 1 1.20 0.03 . 1 . . . . A 109 THR HG21 . 34450 1 113 . 1 . 1 11 11 THR HG22 H 1 1.20 0.03 . 1 . . . . A 109 THR HG22 . 34450 1 114 . 1 . 1 11 11 THR HG23 H 1 1.20 0.03 . 1 . . . . A 109 THR HG23 . 34450 1 115 . 1 . 1 11 11 THR C C 13 174.27 0.20 . 1 . . . . A 109 THR C . 34450 1 116 . 1 . 1 11 11 THR CA C 13 61.92 0.20 . 1 . . . . A 109 THR CA . 34450 1 117 . 1 . 1 11 11 THR CB C 13 69.98 0.20 . 1 . . . . A 109 THR CB . 34450 1 118 . 1 . 1 11 11 THR CG2 C 13 21.73 0.20 . 1 . . . . A 109 THR CG2 . 34450 1 119 . 1 . 1 11 11 THR N N 15 114.11 0.20 . 1 . . . . A 109 THR N . 34450 1 120 . 1 . 1 12 12 LYS H H 1 8.28 0.03 . 1 . . . . A 110 LYS H . 34450 1 121 . 1 . 1 12 12 LYS HA H 1 4.27 0.03 . 1 . . . . A 110 LYS HA . 34450 1 122 . 1 . 1 12 12 LYS HB2 H 1 1.76 0.03 . 2 . . . . A 110 LYS HB2 . 34450 1 123 . 1 . 1 12 12 LYS HB3 H 1 1.69 0.03 . 2 . . . . A 110 LYS HB3 . 34450 1 124 . 1 . 1 12 12 LYS HG2 H 1 1.37 0.03 . 2 . . . . A 110 LYS HG2 . 34450 1 125 . 1 . 1 12 12 LYS HG3 H 1 1.32 0.03 . 2 . . . . A 110 LYS HG3 . 34450 1 126 . 1 . 1 12 12 LYS HD2 H 1 1.64 0.03 . 2 . . . . A 110 LYS HD2 . 34450 1 127 . 1 . 1 12 12 LYS HD3 H 1 1.64 0.03 . 2 . . . . A 110 LYS HD3 . 34450 1 128 . 1 . 1 12 12 LYS HE2 H 1 2.97 0.03 . 2 . . . . A 110 LYS HE2 . 34450 1 129 . 1 . 1 12 12 LYS HE3 H 1 2.97 0.03 . 2 . . . . A 110 LYS HE3 . 34450 1 130 . 1 . 1 12 12 LYS C C 13 175.89 0.20 . 1 . . . . A 110 LYS C . 34450 1 131 . 1 . 1 12 12 LYS CA C 13 56.14 0.20 . 1 . . . . A 110 LYS CA . 34450 1 132 . 1 . 1 12 12 LYS CB C 13 33.38 0.20 . 1 . . . . A 110 LYS CB . 34450 1 133 . 1 . 1 12 12 LYS CG C 13 24.68 0.20 . 1 . . . . A 110 LYS CG . 34450 1 134 . 1 . 1 12 12 LYS CD C 13 29.07 0.20 . 1 . . . . A 110 LYS CD . 34450 1 135 . 1 . 1 12 12 LYS CE C 13 42.65 0.20 . 1 . . . . A 110 LYS CE . 34450 1 136 . 1 . 1 12 12 LYS N N 15 124.33 0.20 . 1 . . . . A 110 LYS N . 34450 1 137 . 1 . 1 13 13 GLN H H 1 8.43 0.03 . 1 . . . . A 111 GLN H . 34450 1 138 . 1 . 1 13 13 GLN HA H 1 4.29 0.03 . 1 . . . . A 111 GLN HA . 34450 1 139 . 1 . 1 13 13 GLN HB2 H 1 2.02 0.03 . 2 . . . . A 111 GLN HB2 . 34450 1 140 . 1 . 1 13 13 GLN HB3 H 1 1.95 0.03 . 2 . . . . A 111 GLN HB3 . 34450 1 141 . 1 . 1 13 13 GLN HG2 H 1 2.38 0.03 . 2 . . . . A 111 GLN HG2 . 34450 1 142 . 1 . 1 13 13 GLN HG3 H 1 2.38 0.03 . 2 . . . . A 111 GLN HG3 . 34450 1 143 . 1 . 1 13 13 GLN C C 13 175.34 0.20 . 1 . . . . A 111 GLN C . 34450 1 144 . 1 . 1 13 13 GLN CA C 13 55.77 0.20 . 1 . . . . A 111 GLN CA . 34450 1 145 . 1 . 1 13 13 GLN CB C 13 29.51 0.20 . 1 . . . . A 111 GLN CB . 34450 1 146 . 1 . 1 13 13 GLN CG C 13 33.89 0.20 . 1 . . . . A 111 GLN CG . 34450 1 147 . 1 . 1 13 13 GLN N N 15 123.58 0.20 . 1 . . . . A 111 GLN N . 34450 1 148 . 1 . 1 14 14 LEU H H 1 8.33 0.03 . 1 . . . . A 112 LEU H . 34450 1 149 . 1 . 1 14 14 LEU HA H 1 4.65 0.03 . 1 . . . . A 112 LEU HA . 34450 1 150 . 1 . 1 14 14 LEU HB2 H 1 1.60 0.03 . 2 . . . . A 112 LEU HB2 . 34450 1 151 . 1 . 1 14 14 LEU HB3 H 1 1.43 0.03 . 2 . . . . A 112 LEU HB3 . 34450 1 152 . 1 . 1 14 14 LEU HG H 1 1.73 0.03 . 1 . . . . A 112 LEU HG . 34450 1 153 . 1 . 1 14 14 LEU HD11 H 1 0.97 0.03 . 1 . . . . A 112 LEU HD11 . 34450 1 154 . 1 . 1 14 14 LEU HD12 H 1 0.97 0.03 . 1 . . . . A 112 LEU HD12 . 34450 1 155 . 1 . 1 14 14 LEU HD13 H 1 0.97 0.03 . 1 . . . . A 112 LEU HD13 . 34450 1 156 . 1 . 1 14 14 LEU HD21 H 1 1.02 0.03 . 1 . . . . A 112 LEU HD21 . 34450 1 157 . 1 . 1 14 14 LEU HD22 H 1 1.02 0.03 . 1 . . . . A 112 LEU HD22 . 34450 1 158 . 1 . 1 14 14 LEU HD23 H 1 1.02 0.03 . 1 . . . . A 112 LEU HD23 . 34450 1 159 . 1 . 1 14 14 LEU C C 13 174.80 0.20 . 1 . . . . A 112 LEU C . 34450 1 160 . 1 . 1 14 14 LEU CA C 13 52.70 0.20 . 1 . . . . A 112 LEU CA . 34450 1 161 . 1 . 1 14 14 LEU CB C 13 41.52 0.20 . 1 . . . . A 112 LEU CB . 34450 1 162 . 1 . 1 14 14 LEU CG C 13 27.06 0.20 . 1 . . . . A 112 LEU CG . 34450 1 163 . 1 . 1 14 14 LEU CD1 C 13 22.91 0.20 . 2 . . . . A 112 LEU CD1 . 34450 1 164 . 1 . 1 14 14 LEU CD2 C 13 25.23 0.20 . 2 . . . . A 112 LEU CD2 . 34450 1 165 . 1 . 1 14 14 LEU N N 15 125.53 0.20 . 1 . . . . A 112 LEU N . 34450 1 166 . 1 . 1 15 15 PRO HA H 1 4.36 0.03 . 1 . . . . A 113 PRO HA . 34450 1 167 . 1 . 1 15 15 PRO HB2 H 1 1.73 0.03 . 2 . . . . A 113 PRO HB2 . 34450 1 168 . 1 . 1 15 15 PRO HB3 H 1 1.02 0.03 . 2 . . . . A 113 PRO HB3 . 34450 1 169 . 1 . 1 15 15 PRO HG2 H 1 1.38 0.03 . 2 . . . . A 113 PRO HG2 . 34450 1 170 . 1 . 1 15 15 PRO HG3 H 1 0.87 0.03 . 2 . . . . A 113 PRO HG3 . 34450 1 171 . 1 . 1 15 15 PRO HD2 H 1 3.65 0.03 . 2 . . . . A 113 PRO HD2 . 34450 1 172 . 1 . 1 15 15 PRO HD3 H 1 2.67 0.03 . 2 . . . . A 113 PRO HD3 . 34450 1 173 . 1 . 1 15 15 PRO C C 13 174.23 0.20 . 1 . . . . A 113 PRO C . 34450 1 174 . 1 . 1 15 15 PRO CA C 13 61.63 0.20 . 1 . . . . A 113 PRO CA . 34450 1 175 . 1 . 1 15 15 PRO CB C 13 31.15 0.20 . 1 . . . . A 113 PRO CB . 34450 1 176 . 1 . 1 15 15 PRO CG C 13 26.93 0.20 . 1 . . . . A 113 PRO CG . 34450 1 177 . 1 . 1 15 15 PRO CD C 13 49.99 0.20 . 1 . . . . A 113 PRO CD . 34450 1 178 . 1 . 1 15 15 PRO N N 15 134.44 0.20 . 1 . . . . A 113 PRO N . 34450 1 179 . 1 . 1 16 16 GLU H H 1 7.77 0.03 . 1 . . . . A 114 GLU H . 34450 1 180 . 1 . 1 16 16 GLU HA H 1 4.33 0.03 . 1 . . . . A 114 GLU HA . 34450 1 181 . 1 . 1 16 16 GLU HB2 H 1 2.04 0.03 . 2 . . . . A 114 GLU HB2 . 34450 1 182 . 1 . 1 16 16 GLU HB3 H 1 1.81 0.03 . 2 . . . . A 114 GLU HB3 . 34450 1 183 . 1 . 1 16 16 GLU HG2 H 1 2.33 0.03 . 2 . . . . A 114 GLU HG2 . 34450 1 184 . 1 . 1 16 16 GLU HG3 H 1 2.33 0.03 . 2 . . . . A 114 GLU HG3 . 34450 1 185 . 1 . 1 16 16 GLU C C 13 176.35 0.20 . 1 . . . . A 114 GLU C . 34450 1 186 . 1 . 1 16 16 GLU CA C 13 54.71 0.20 . 1 . . . . A 114 GLU CA . 34450 1 187 . 1 . 1 16 16 GLU CB C 13 31.39 0.20 . 1 . . . . A 114 GLU CB . 34450 1 188 . 1 . 1 16 16 GLU CG C 13 36.42 0.20 . 1 . . . . A 114 GLU CG . 34450 1 189 . 1 . 1 16 16 GLU N N 15 117.21 0.20 . 1 . . . . A 114 GLU N . 34450 1 190 . 1 . 1 17 17 LYS H H 1 8.61 0.03 . 1 . . . . A 115 LYS H . 34450 1 191 . 1 . 1 17 17 LYS HA H 1 4.15 0.03 . 1 . . . . A 115 LYS HA . 34450 1 192 . 1 . 1 17 17 LYS HB2 H 1 2.02 0.03 . 2 . . . . A 115 LYS HB2 . 34450 1 193 . 1 . 1 17 17 LYS HB3 H 1 1.80 0.03 . 2 . . . . A 115 LYS HB3 . 34450 1 194 . 1 . 1 17 17 LYS HG2 H 1 1.45 0.03 . 2 . . . . A 115 LYS HG2 . 34450 1 195 . 1 . 1 17 17 LYS HG3 H 1 1.45 0.03 . 2 . . . . A 115 LYS HG3 . 34450 1 196 . 1 . 1 17 17 LYS HD2 H 1 1.76 0.03 . 2 . . . . A 115 LYS HD2 . 34450 1 197 . 1 . 1 17 17 LYS HD3 H 1 1.76 0.03 . 2 . . . . A 115 LYS HD3 . 34450 1 198 . 1 . 1 17 17 LYS HE2 H 1 2.99 0.03 . 2 . . . . A 115 LYS HE2 . 34450 1 199 . 1 . 1 17 17 LYS HE3 H 1 2.99 0.03 . 2 . . . . A 115 LYS HE3 . 34450 1 200 . 1 . 1 17 17 LYS C C 13 178.31 0.20 . 1 . . . . A 115 LYS C . 34450 1 201 . 1 . 1 17 17 LYS CA C 13 58.82 0.20 . 1 . . . . A 115 LYS CA . 34450 1 202 . 1 . 1 17 17 LYS CB C 13 31.96 0.20 . 1 . . . . A 115 LYS CB . 34450 1 203 . 1 . 1 17 17 LYS CG C 13 24.83 0.20 . 1 . . . . A 115 LYS CG . 34450 1 204 . 1 . 1 17 17 LYS CD C 13 29.61 0.20 . 1 . . . . A 115 LYS CD . 34450 1 205 . 1 . 1 17 17 LYS CE C 13 42.17 0.20 . 1 . . . . A 115 LYS CE . 34450 1 206 . 1 . 1 17 17 LYS N N 15 122.56 0.20 . 1 . . . . A 115 LYS N . 34450 1 207 . 1 . 1 18 18 GLY H H 1 9.49 0.03 . 1 . . . . A 116 GLY H . 34450 1 208 . 1 . 1 18 18 GLY HA2 H 1 4.44 0.03 . 2 . . . . A 116 GLY HA2 . 34450 1 209 . 1 . 1 18 18 GLY HA3 H 1 3.47 0.03 . 2 . . . . A 116 GLY HA3 . 34450 1 210 . 1 . 1 18 18 GLY C C 13 174.05 0.20 . 1 . . . . A 116 GLY C . 34450 1 211 . 1 . 1 18 18 GLY CA C 13 44.89 0.20 . 1 . . . . A 116 GLY CA . 34450 1 212 . 1 . 1 18 18 GLY N N 15 115.37 0.20 . 1 . . . . A 116 GLY N . 34450 1 213 . 1 . 1 19 19 GLN H H 1 8.24 0.03 . 1 . . . . A 117 GLN H . 34450 1 214 . 1 . 1 19 19 GLN HA H 1 4.32 0.03 . 1 . . . . A 117 GLN HA . 34450 1 215 . 1 . 1 19 19 GLN HB2 H 1 2.33 0.03 . 2 . . . . A 117 GLN HB2 . 34450 1 216 . 1 . 1 19 19 GLN HB3 H 1 2.02 0.03 . 2 . . . . A 117 GLN HB3 . 34450 1 217 . 1 . 1 19 19 GLN HG2 H 1 2.33 0.03 . 2 . . . . A 117 GLN HG2 . 34450 1 218 . 1 . 1 19 19 GLN HG3 H 1 2.33 0.03 . 2 . . . . A 117 GLN HG3 . 34450 1 219 . 1 . 1 19 19 GLN C C 13 176.12 0.20 . 1 . . . . A 117 GLN C . 34450 1 220 . 1 . 1 19 19 GLN CA C 13 56.34 0.20 . 1 . . . . A 117 GLN CA . 34450 1 221 . 1 . 1 19 19 GLN CB C 13 30.36 0.20 . 1 . . . . A 117 GLN CB . 34450 1 222 . 1 . 1 19 19 GLN CG C 13 33.83 0.20 . 1 . . . . A 117 GLN CG . 34450 1 223 . 1 . 1 19 19 GLN N N 15 122.50 0.20 . 1 . . . . A 117 GLN N . 34450 1 224 . 1 . 1 20 20 THR H H 1 8.58 0.03 . 1 . . . . A 118 THR H . 34450 1 225 . 1 . 1 20 20 THR HA H 1 4.85 0.03 . 1 . . . . A 118 THR HA . 34450 1 226 . 1 . 1 20 20 THR HB H 1 4.11 0.03 . 1 . . . . A 118 THR HB . 34450 1 227 . 1 . 1 20 20 THR HG21 H 1 1.24 0.03 . 1 . . . . A 118 THR HG21 . 34450 1 228 . 1 . 1 20 20 THR HG22 H 1 1.24 0.03 . 1 . . . . A 118 THR HG22 . 34450 1 229 . 1 . 1 20 20 THR HG23 H 1 1.24 0.03 . 1 . . . . A 118 THR HG23 . 34450 1 230 . 1 . 1 20 20 THR C C 13 174.71 0.20 . 1 . . . . A 118 THR C . 34450 1 231 . 1 . 1 20 20 THR CA C 13 63.40 0.20 . 1 . . . . A 118 THR CA . 34450 1 232 . 1 . 1 20 20 THR CB C 13 69.48 0.20 . 1 . . . . A 118 THR CB . 34450 1 233 . 1 . 1 20 20 THR CG2 C 13 22.21 0.20 . 1 . . . . A 118 THR CG2 . 34450 1 234 . 1 . 1 20 20 THR N N 15 120.61 0.20 . 1 . . . . A 118 THR N . 34450 1 235 . 1 . 1 21 21 VAL H H 1 9.18 0.03 . 1 . . . . A 119 VAL H . 34450 1 236 . 1 . 1 21 21 VAL HA H 1 4.81 0.03 . 1 . . . . A 119 VAL HA . 34450 1 237 . 1 . 1 21 21 VAL HB H 1 2.30 0.03 . 1 . . . . A 119 VAL HB . 34450 1 238 . 1 . 1 21 21 VAL HG11 H 1 0.46 0.03 . 1 . . . . A 119 VAL HG11 . 34450 1 239 . 1 . 1 21 21 VAL HG12 H 1 0.46 0.03 . 1 . . . . A 119 VAL HG12 . 34450 1 240 . 1 . 1 21 21 VAL HG13 H 1 0.46 0.03 . 1 . . . . A 119 VAL HG13 . 34450 1 241 . 1 . 1 21 21 VAL HG21 H 1 0.70 0.03 . 1 . . . . A 119 VAL HG21 . 34450 1 242 . 1 . 1 21 21 VAL HG22 H 1 0.70 0.03 . 1 . . . . A 119 VAL HG22 . 34450 1 243 . 1 . 1 21 21 VAL HG23 H 1 0.70 0.03 . 1 . . . . A 119 VAL HG23 . 34450 1 244 . 1 . 1 21 21 VAL C C 13 173.66 0.20 . 1 . . . . A 119 VAL C . 34450 1 245 . 1 . 1 21 21 VAL CA C 13 59.53 0.20 . 1 . . . . A 119 VAL CA . 34450 1 246 . 1 . 1 21 21 VAL CB C 13 34.81 0.20 . 1 . . . . A 119 VAL CB . 34450 1 247 . 1 . 1 21 21 VAL CG1 C 13 19.33 0.20 . 2 . . . . A 119 VAL CG1 . 34450 1 248 . 1 . 1 21 21 VAL CG2 C 13 21.69 0.20 . 2 . . . . A 119 VAL CG2 . 34450 1 249 . 1 . 1 21 21 VAL N N 15 121.70 0.20 . 1 . . . . A 119 VAL N . 34450 1 250 . 1 . 1 22 22 ARG H H 1 8.93 0.03 . 1 . . . . A 120 ARG H . 34450 1 251 . 1 . 1 22 22 ARG HA H 1 4.89 0.03 . 1 . . . . A 120 ARG HA . 34450 1 252 . 1 . 1 22 22 ARG HB2 H 1 1.85 0.03 . 2 . . . . A 120 ARG HB2 . 34450 1 253 . 1 . 1 22 22 ARG HB3 H 1 1.75 0.03 . 2 . . . . A 120 ARG HB3 . 34450 1 254 . 1 . 1 22 22 ARG HG2 H 1 1.49 0.03 . 2 . . . . A 120 ARG HG2 . 34450 1 255 . 1 . 1 22 22 ARG HG3 H 1 1.45 0.03 . 2 . . . . A 120 ARG HG3 . 34450 1 256 . 1 . 1 22 22 ARG HD2 H 1 3.22 0.03 . 2 . . . . A 120 ARG HD2 . 34450 1 257 . 1 . 1 22 22 ARG HD3 H 1 3.20 0.03 . 2 . . . . A 120 ARG HD3 . 34450 1 258 . 1 . 1 22 22 ARG C C 13 175.79 0.20 . 1 . . . . A 120 ARG C . 34450 1 259 . 1 . 1 22 22 ARG CA C 13 54.91 0.20 . 1 . . . . A 120 ARG CA . 34450 1 260 . 1 . 1 22 22 ARG CB C 13 32.35 0.20 . 1 . . . . A 120 ARG CB . 34450 1 261 . 1 . 1 22 22 ARG CG C 13 27.70 0.20 . 1 . . . . A 120 ARG CG . 34450 1 262 . 1 . 1 22 22 ARG CD C 13 43.17 0.20 . 1 . . . . A 120 ARG CD . 34450 1 263 . 1 . 1 22 22 ARG N N 15 121.25 0.20 . 1 . . . . A 120 ARG N . 34450 1 264 . 1 . 1 23 23 VAL H H 1 9.04 0.03 . 1 . . . . A 121 VAL H . 34450 1 265 . 1 . 1 23 23 VAL HA H 1 4.16 0.03 . 1 . . . . A 121 VAL HA . 34450 1 266 . 1 . 1 23 23 VAL HB H 1 2.49 0.03 . 1 . . . . A 121 VAL HB . 34450 1 267 . 1 . 1 23 23 VAL HG11 H 1 0.83 0.03 . 1 . . . . A 121 VAL HG11 . 34450 1 268 . 1 . 1 23 23 VAL HG12 H 1 0.83 0.03 . 1 . . . . A 121 VAL HG12 . 34450 1 269 . 1 . 1 23 23 VAL HG13 H 1 0.83 0.03 . 1 . . . . A 121 VAL HG13 . 34450 1 270 . 1 . 1 23 23 VAL HG21 H 1 1.13 0.03 . 1 . . . . A 121 VAL HG21 . 34450 1 271 . 1 . 1 23 23 VAL HG22 H 1 1.13 0.03 . 1 . . . . A 121 VAL HG22 . 34450 1 272 . 1 . 1 23 23 VAL HG23 H 1 1.13 0.03 . 1 . . . . A 121 VAL HG23 . 34450 1 273 . 1 . 1 23 23 VAL C C 13 175.96 0.20 . 1 . . . . A 121 VAL C . 34450 1 274 . 1 . 1 23 23 VAL CA C 13 64.33 0.20 . 1 . . . . A 121 VAL CA . 34450 1 275 . 1 . 1 23 23 VAL CB C 13 30.08 0.20 . 1 . . . . A 121 VAL CB . 34450 1 276 . 1 . 1 23 23 VAL CG1 C 13 21.78 0.20 . 2 . . . . A 121 VAL CG1 . 34450 1 277 . 1 . 1 23 23 VAL CG2 C 13 23.54 0.20 . 2 . . . . A 121 VAL CG2 . 34450 1 278 . 1 . 1 23 23 VAL N N 15 128.01 0.20 . 1 . . . . A 121 VAL N . 34450 1 279 . 1 . 1 24 24 ALA H H 1 8.91 0.03 . 1 . . . . A 122 ALA H . 34450 1 280 . 1 . 1 24 24 ALA HA H 1 4.58 0.03 . 1 . . . . A 122 ALA HA . 34450 1 281 . 1 . 1 24 24 ALA HB1 H 1 1.41 0.03 . 1 . . . . A 122 ALA HB1 . 34450 1 282 . 1 . 1 24 24 ALA HB2 H 1 1.41 0.03 . 1 . . . . A 122 ALA HB2 . 34450 1 283 . 1 . 1 24 24 ALA HB3 H 1 1.41 0.03 . 1 . . . . A 122 ALA HB3 . 34450 1 284 . 1 . 1 24 24 ALA C C 13 177.10 0.20 . 1 . . . . A 122 ALA C . 34450 1 285 . 1 . 1 24 24 ALA CA C 13 53.11 0.20 . 1 . . . . A 122 ALA CA . 34450 1 286 . 1 . 1 24 24 ALA CB C 13 21.94 0.20 . 1 . . . . A 122 ALA CB . 34450 1 287 . 1 . 1 24 24 ALA N N 15 131.73 0.20 . 1 . . . . A 122 ALA N . 34450 1 288 . 1 . 1 25 25 ARG H H 1 8.01 0.03 . 1 . . . . A 123 ARG H . 34450 1 289 . 1 . 1 25 25 ARG HA H 1 4.75 0.03 . 1 . . . . A 123 ARG HA . 34450 1 290 . 1 . 1 25 25 ARG HB2 H 1 1.99 0.03 . 2 . . . . A 123 ARG HB2 . 34450 1 291 . 1 . 1 25 25 ARG HB3 H 1 1.70 0.03 . 2 . . . . A 123 ARG HB3 . 34450 1 292 . 1 . 1 25 25 ARG HG2 H 1 1.68 0.03 . 2 . . . . A 123 ARG HG2 . 34450 1 293 . 1 . 1 25 25 ARG HG3 H 1 1.50 0.03 . 2 . . . . A 123 ARG HG3 . 34450 1 294 . 1 . 1 25 25 ARG HD2 H 1 3.29 0.03 . 2 . . . . A 123 ARG HD2 . 34450 1 295 . 1 . 1 25 25 ARG HD3 H 1 3.24 0.03 . 2 . . . . A 123 ARG HD3 . 34450 1 296 . 1 . 1 25 25 ARG C C 13 174.55 0.20 . 1 . . . . A 123 ARG C . 34450 1 297 . 1 . 1 25 25 ARG CA C 13 54.73 0.20 . 1 . . . . A 123 ARG CA . 34450 1 298 . 1 . 1 25 25 ARG CB C 13 35.02 0.20 . 1 . . . . A 123 ARG CB . 34450 1 299 . 1 . 1 25 25 ARG CG C 13 27.21 0.20 . 1 . . . . A 123 ARG CG . 34450 1 300 . 1 . 1 25 25 ARG CD C 13 42.83 0.20 . 1 . . . . A 123 ARG CD . 34450 1 301 . 1 . 1 25 25 ARG N N 15 116.89 0.20 . 1 . . . . A 123 ARG N . 34450 1 302 . 1 . 1 26 26 GLY H H 1 8.49 0.03 . 1 . . . . A 124 GLY H . 34450 1 303 . 1 . 1 26 26 GLY HA2 H 1 4.36 0.03 . 2 . . . . A 124 GLY HA2 . 34450 1 304 . 1 . 1 26 26 GLY HA3 H 1 3.79 0.03 . 2 . . . . A 124 GLY HA3 . 34450 1 305 . 1 . 1 26 26 GLY C C 13 175.90 0.20 . 1 . . . . A 124 GLY C . 34450 1 306 . 1 . 1 26 26 GLY CA C 13 44.70 0.20 . 1 . . . . A 124 GLY CA . 34450 1 307 . 1 . 1 26 26 GLY N N 15 105.92 0.20 . 1 . . . . A 124 GLY N . 34450 1 308 . 1 . 1 27 27 GLN H H 1 8.90 0.03 . 1 . . . . A 125 GLN H . 34450 1 309 . 1 . 1 27 27 GLN HA H 1 3.82 0.03 . 1 . . . . A 125 GLN HA . 34450 1 310 . 1 . 1 27 27 GLN HB2 H 1 1.84 0.03 . 2 . . . . A 125 GLN HB2 . 34450 1 311 . 1 . 1 27 27 GLN HB3 H 1 1.42 0.03 . 2 . . . . A 125 GLN HB3 . 34450 1 312 . 1 . 1 27 27 GLN HG2 H 1 1.65 0.03 . 2 . . . . A 125 GLN HG2 . 34450 1 313 . 1 . 1 27 27 GLN HG3 H 1 1.54 0.03 . 2 . . . . A 125 GLN HG3 . 34450 1 314 . 1 . 1 27 27 GLN C C 13 177.17 0.20 . 1 . . . . A 125 GLN C . 34450 1 315 . 1 . 1 27 27 GLN CA C 13 58.59 0.20 . 1 . . . . A 125 GLN CA . 34450 1 316 . 1 . 1 27 27 GLN CB C 13 28.66 0.20 . 1 . . . . A 125 GLN CB . 34450 1 317 . 1 . 1 27 27 GLN CG C 13 32.80 0.20 . 1 . . . . A 125 GLN CG . 34450 1 318 . 1 . 1 27 27 GLN N N 15 121.56 0.20 . 1 . . . . A 125 GLN N . 34450 1 319 . 1 . 1 28 28 PHE H H 1 9.31 0.03 . 1 . . . . A 126 PHE H . 34450 1 320 . 1 . 1 28 28 PHE HA H 1 4.68 0.03 . 1 . . . . A 126 PHE HA . 34450 1 321 . 1 . 1 28 28 PHE HB2 H 1 3.45 0.03 . 2 . . . . A 126 PHE HB2 . 34450 1 322 . 1 . 1 28 28 PHE HB3 H 1 2.95 0.03 . 2 . . . . A 126 PHE HB3 . 34450 1 323 . 1 . 1 28 28 PHE HD1 H 1 7.21 0.03 . 1 . . . . A 126 PHE HD1 . 34450 1 324 . 1 . 1 28 28 PHE HD2 H 1 7.21 0.03 . 1 . . . . A 126 PHE HD2 . 34450 1 325 . 1 . 1 28 28 PHE HE1 H 1 7.32 0.03 . 1 . . . . A 126 PHE HE1 . 34450 1 326 . 1 . 1 28 28 PHE HE2 H 1 7.32 0.03 . 1 . . . . A 126 PHE HE2 . 34450 1 327 . 1 . 1 28 28 PHE HZ H 1 7.22 0.03 . 1 . . . . A 126 PHE HZ . 34450 1 328 . 1 . 1 28 28 PHE C C 13 173.15 0.20 . 1 . . . . A 126 PHE C . 34450 1 329 . 1 . 1 28 28 PHE CA C 13 56.56 0.20 . 1 . . . . A 126 PHE CA . 34450 1 330 . 1 . 1 28 28 PHE CB C 13 37.38 0.20 . 1 . . . . A 126 PHE CB . 34450 1 331 . 1 . 1 28 28 PHE CD1 C 13 131.54 0.20 . 1 . . . . A 126 PHE CD1 . 34450 1 332 . 1 . 1 28 28 PHE CD2 C 13 131.54 0.20 . 1 . . . . A 126 PHE CD2 . 34450 1 333 . 1 . 1 28 28 PHE CE1 C 13 131.39 0.20 . 1 . . . . A 126 PHE CE1 . 34450 1 334 . 1 . 1 28 28 PHE CE2 C 13 131.39 0.20 . 1 . . . . A 126 PHE CE2 . 34450 1 335 . 1 . 1 28 28 PHE CZ C 13 129.76 0.20 . 1 . . . . A 126 PHE CZ . 34450 1 336 . 1 . 1 28 28 PHE N N 15 117.79 0.20 . 1 . . . . A 126 PHE N . 34450 1 337 . 1 . 1 29 29 ALA H H 1 6.99 0.03 . 1 . . . . A 127 ALA H . 34450 1 338 . 1 . 1 29 29 ALA HA H 1 3.48 0.03 . 1 . . . . A 127 ALA HA . 34450 1 339 . 1 . 1 29 29 ALA HB1 H 1 1.22 0.03 . 1 . . . . A 127 ALA HB1 . 34450 1 340 . 1 . 1 29 29 ALA HB2 H 1 1.22 0.03 . 1 . . . . A 127 ALA HB2 . 34450 1 341 . 1 . 1 29 29 ALA HB3 H 1 1.22 0.03 . 1 . . . . A 127 ALA HB3 . 34450 1 342 . 1 . 1 29 29 ALA C C 13 179.00 0.20 . 1 . . . . A 127 ALA C . 34450 1 343 . 1 . 1 29 29 ALA CA C 13 53.99 0.20 . 1 . . . . A 127 ALA CA . 34450 1 344 . 1 . 1 29 29 ALA CB C 13 18.38 0.20 . 1 . . . . A 127 ALA CB . 34450 1 345 . 1 . 1 29 29 ALA N N 15 119.29 0.20 . 1 . . . . A 127 ALA N . 34450 1 346 . 1 . 1 30 30 GLY H H 1 8.88 0.03 . 1 . . . . A 128 GLY H . 34450 1 347 . 1 . 1 30 30 GLY HA2 H 1 4.38 0.03 . 2 . . . . A 128 GLY HA2 . 34450 1 348 . 1 . 1 30 30 GLY HA3 H 1 3.73 0.03 . 2 . . . . A 128 GLY HA3 . 34450 1 349 . 1 . 1 30 30 GLY C C 13 174.42 0.20 . 1 . . . . A 128 GLY C . 34450 1 350 . 1 . 1 30 30 GLY CA C 13 45.21 0.20 . 1 . . . . A 128 GLY CA . 34450 1 351 . 1 . 1 30 30 GLY N N 15 109.88 0.20 . 1 . . . . A 128 GLY N . 34450 1 352 . 1 . 1 31 31 ILE H H 1 7.88 0.03 . 1 . . . . A 129 ILE H . 34450 1 353 . 1 . 1 31 31 ILE HA H 1 4.49 0.03 . 1 . . . . A 129 ILE HA . 34450 1 354 . 1 . 1 31 31 ILE HB H 1 2.21 0.03 . 1 . . . . A 129 ILE HB . 34450 1 355 . 1 . 1 31 31 ILE HG12 H 1 1.52 0.03 . 2 . . . . A 129 ILE HG12 . 34450 1 356 . 1 . 1 31 31 ILE HG13 H 1 1.45 0.03 . 2 . . . . A 129 ILE HG13 . 34450 1 357 . 1 . 1 31 31 ILE HG21 H 1 1.07 0.03 . 1 . . . . A 129 ILE HG21 . 34450 1 358 . 1 . 1 31 31 ILE HG22 H 1 1.07 0.03 . 1 . . . . A 129 ILE HG22 . 34450 1 359 . 1 . 1 31 31 ILE HG23 H 1 1.07 0.03 . 1 . . . . A 129 ILE HG23 . 34450 1 360 . 1 . 1 31 31 ILE HD11 H 1 0.97 0.03 . 1 . . . . A 129 ILE HD11 . 34450 1 361 . 1 . 1 31 31 ILE HD12 H 1 0.97 0.03 . 1 . . . . A 129 ILE HD12 . 34450 1 362 . 1 . 1 31 31 ILE HD13 H 1 0.97 0.03 . 1 . . . . A 129 ILE HD13 . 34450 1 363 . 1 . 1 31 31 ILE C C 13 175.08 0.20 . 1 . . . . A 129 ILE C . 34450 1 364 . 1 . 1 31 31 ILE CA C 13 60.67 0.20 . 1 . . . . A 129 ILE CA . 34450 1 365 . 1 . 1 31 31 ILE CB C 13 39.40 0.20 . 1 . . . . A 129 ILE CB . 34450 1 366 . 1 . 1 31 31 ILE CG1 C 13 27.29 0.20 . 1 . . . . A 129 ILE CG1 . 34450 1 367 . 1 . 1 31 31 ILE CG2 C 13 17.95 0.20 . 1 . . . . A 129 ILE CG2 . 34450 1 368 . 1 . 1 31 31 ILE CD1 C 13 14.02 0.20 . 1 . . . . A 129 ILE CD1 . 34450 1 369 . 1 . 1 31 31 ILE N N 15 120.19 0.20 . 1 . . . . A 129 ILE N . 34450 1 370 . 1 . 1 32 32 GLU H H 1 8.40 0.03 . 1 . . . . A 130 GLU H . 34450 1 371 . 1 . 1 32 32 GLU HA H 1 4.85 0.03 . 1 . . . . A 130 GLU HA . 34450 1 372 . 1 . 1 32 32 GLU HB2 H 1 2.04 0.03 . 2 . . . . A 130 GLU HB2 . 34450 1 373 . 1 . 1 32 32 GLU HB3 H 1 1.98 0.03 . 2 . . . . A 130 GLU HB3 . 34450 1 374 . 1 . 1 32 32 GLU HG2 H 1 2.39 0.03 . 2 . . . . A 130 GLU HG2 . 34450 1 375 . 1 . 1 32 32 GLU HG3 H 1 2.14 0.03 . 2 . . . . A 130 GLU HG3 . 34450 1 376 . 1 . 1 32 32 GLU C C 13 174.68 0.20 . 1 . . . . A 130 GLU C . 34450 1 377 . 1 . 1 32 32 GLU CA C 13 56.18 0.20 . 1 . . . . A 130 GLU CA . 34450 1 378 . 1 . 1 32 32 GLU CB C 13 31.50 0.20 . 1 . . . . A 130 GLU CB . 34450 1 379 . 1 . 1 32 32 GLU CG C 13 37.37 0.20 . 1 . . . . A 130 GLU CG . 34450 1 380 . 1 . 1 32 32 GLU N N 15 123.60 0.20 . 1 . . . . A 130 GLU N . 34450 1 381 . 1 . 1 33 33 ALA H H 1 8.81 0.03 . 1 . . . . A 131 ALA H . 34450 1 382 . 1 . 1 33 33 ALA HA H 1 5.03 0.03 . 1 . . . . A 131 ALA HA . 34450 1 383 . 1 . 1 33 33 ALA HB1 H 1 0.99 0.03 . 1 . . . . A 131 ALA HB1 . 34450 1 384 . 1 . 1 33 33 ALA HB2 H 1 0.99 0.03 . 1 . . . . A 131 ALA HB2 . 34450 1 385 . 1 . 1 33 33 ALA HB3 H 1 0.99 0.03 . 1 . . . . A 131 ALA HB3 . 34450 1 386 . 1 . 1 33 33 ALA C C 13 175.00 0.20 . 1 . . . . A 131 ALA C . 34450 1 387 . 1 . 1 33 33 ALA CA C 13 50.10 0.20 . 1 . . . . A 131 ALA CA . 34450 1 388 . 1 . 1 33 33 ALA CB C 13 24.10 0.20 . 1 . . . . A 131 ALA CB . 34450 1 389 . 1 . 1 33 33 ALA N N 15 124.49 0.20 . 1 . . . . A 131 ALA N . 34450 1 390 . 1 . 1 34 34 ILE H H 1 8.21 0.03 . 1 . . . . A 132 ILE H . 34450 1 391 . 1 . 1 34 34 ILE HA H 1 4.50 0.03 . 1 . . . . A 132 ILE HA . 34450 1 392 . 1 . 1 34 34 ILE HB H 1 1.71 0.03 . 1 . . . . A 132 ILE HB . 34450 1 393 . 1 . 1 34 34 ILE HG12 H 1 1.46 0.03 . 2 . . . . A 132 ILE HG12 . 34450 1 394 . 1 . 1 34 34 ILE HG13 H 1 1.10 0.03 . 2 . . . . A 132 ILE HG13 . 34450 1 395 . 1 . 1 34 34 ILE HG21 H 1 0.73 0.03 . 1 . . . . A 132 ILE HG21 . 34450 1 396 . 1 . 1 34 34 ILE HG22 H 1 0.73 0.03 . 1 . . . . A 132 ILE HG22 . 34450 1 397 . 1 . 1 34 34 ILE HG23 H 1 0.73 0.03 . 1 . . . . A 132 ILE HG23 . 34450 1 398 . 1 . 1 34 34 ILE HD11 H 1 0.77 0.03 . 1 . . . . A 132 ILE HD11 . 34450 1 399 . 1 . 1 34 34 ILE HD12 H 1 0.77 0.03 . 1 . . . . A 132 ILE HD12 . 34450 1 400 . 1 . 1 34 34 ILE HD13 H 1 0.77 0.03 . 1 . . . . A 132 ILE HD13 . 34450 1 401 . 1 . 1 34 34 ILE C C 13 175.90 0.20 . 1 . . . . A 132 ILE C . 34450 1 402 . 1 . 1 34 34 ILE CA C 13 59.19 0.20 . 1 . . . . A 132 ILE CA . 34450 1 403 . 1 . 1 34 34 ILE CB C 13 39.77 0.20 . 1 . . . . A 132 ILE CB . 34450 1 404 . 1 . 1 34 34 ILE CG1 C 13 27.19 0.20 . 1 . . . . A 132 ILE CG1 . 34450 1 405 . 1 . 1 34 34 ILE CG2 C 13 17.22 0.20 . 1 . . . . A 132 ILE CG2 . 34450 1 406 . 1 . 1 34 34 ILE CD1 C 13 12.66 0.20 . 1 . . . . A 132 ILE CD1 . 34450 1 407 . 1 . 1 34 34 ILE N N 15 118.73 0.20 . 1 . . . . A 132 ILE N . 34450 1 408 . 1 . 1 35 35 TYR H H 1 8.99 0.03 . 1 . . . . A 133 TYR H . 34450 1 409 . 1 . 1 35 35 TYR HA H 1 3.79 0.03 . 1 . . . . A 133 TYR HA . 34450 1 410 . 1 . 1 35 35 TYR HB2 H 1 2.92 0.03 . 2 . . . . A 133 TYR HB2 . 34450 1 411 . 1 . 1 35 35 TYR HB3 H 1 2.37 0.03 . 2 . . . . A 133 TYR HB3 . 34450 1 412 . 1 . 1 35 35 TYR HD1 H 1 6.28 0.03 . 1 . . . . A 133 TYR HD1 . 34450 1 413 . 1 . 1 35 35 TYR HD2 H 1 6.28 0.03 . 1 . . . . A 133 TYR HD2 . 34450 1 414 . 1 . 1 35 35 TYR HE1 H 1 6.54 0.03 . 1 . . . . A 133 TYR HE1 . 34450 1 415 . 1 . 1 35 35 TYR HE2 H 1 6.54 0.03 . 1 . . . . A 133 TYR HE2 . 34450 1 416 . 1 . 1 35 35 TYR C C 13 173.86 0.20 . 1 . . . . A 133 TYR C . 34450 1 417 . 1 . 1 35 35 TYR CA C 13 60.79 0.20 . 1 . . . . A 133 TYR CA . 34450 1 418 . 1 . 1 35 35 TYR CB C 13 39.00 0.20 . 1 . . . . A 133 TYR CB . 34450 1 419 . 1 . 1 35 35 TYR CD1 C 13 132.45 0.20 . 1 . . . . A 133 TYR CD1 . 34450 1 420 . 1 . 1 35 35 TYR CD2 C 13 132.45 0.20 . 1 . . . . A 133 TYR CD2 . 34450 1 421 . 1 . 1 35 35 TYR CE1 C 13 117.39 0.20 . 1 . . . . A 133 TYR CE1 . 34450 1 422 . 1 . 1 35 35 TYR CE2 C 13 117.39 0.20 . 1 . . . . A 133 TYR CE2 . 34450 1 423 . 1 . 1 35 35 TYR N N 15 128.39 0.20 . 1 . . . . A 133 TYR N . 34450 1 424 . 1 . 1 36 36 LEU H H 1 7.79 0.03 . 1 . . . . A 134 LEU H . 34450 1 425 . 1 . 1 36 36 LEU HA H 1 4.68 0.03 . 1 . . . . A 134 LEU HA . 34450 1 426 . 1 . 1 36 36 LEU HB2 H 1 1.37 0.03 . 2 . . . . A 134 LEU HB2 . 34450 1 427 . 1 . 1 36 36 LEU HB3 H 1 1.27 0.03 . 2 . . . . A 134 LEU HB3 . 34450 1 428 . 1 . 1 36 36 LEU HG H 1 1.46 0.03 . 1 . . . . A 134 LEU HG . 34450 1 429 . 1 . 1 36 36 LEU HD11 H 1 0.72 0.03 . 1 . . . . A 134 LEU HD11 . 34450 1 430 . 1 . 1 36 36 LEU HD12 H 1 0.72 0.03 . 1 . . . . A 134 LEU HD12 . 34450 1 431 . 1 . 1 36 36 LEU HD13 H 1 0.72 0.03 . 1 . . . . A 134 LEU HD13 . 34450 1 432 . 1 . 1 36 36 LEU HD21 H 1 0.73 0.03 . 1 . . . . A 134 LEU HD21 . 34450 1 433 . 1 . 1 36 36 LEU HD22 H 1 0.73 0.03 . 1 . . . . A 134 LEU HD22 . 34450 1 434 . 1 . 1 36 36 LEU HD23 H 1 0.73 0.03 . 1 . . . . A 134 LEU HD23 . 34450 1 435 . 1 . 1 36 36 LEU C C 13 174.96 0.20 . 1 . . . . A 134 LEU C . 34450 1 436 . 1 . 1 36 36 LEU CA C 13 56.29 0.20 . 1 . . . . A 134 LEU CA . 34450 1 437 . 1 . 1 36 36 LEU CB C 13 43.61 0.20 . 1 . . . . A 134 LEU CB . 34450 1 438 . 1 . 1 36 36 LEU CG C 13 26.51 0.20 . 1 . . . . A 134 LEU CG . 34450 1 439 . 1 . 1 36 36 LEU CD1 C 13 25.23 0.20 . 2 . . . . A 134 LEU CD1 . 34450 1 440 . 1 . 1 36 36 LEU CD2 C 13 23.08 0.20 . 2 . . . . A 134 LEU CD2 . 34450 1 441 . 1 . 1 36 36 LEU N N 15 126.10 0.20 . 1 . . . . A 134 LEU N . 34450 1 442 . 1 . 1 37 37 GLU H H 1 7.07 0.03 . 1 . . . . A 135 GLU H . 34450 1 443 . 1 . 1 37 37 GLU HA H 1 4.70 0.03 . 1 . . . . A 135 GLU HA . 34450 1 444 . 1 . 1 37 37 GLU HB2 H 1 2.00 0.03 . 2 . . . . A 135 GLU HB2 . 34450 1 445 . 1 . 1 37 37 GLU HB3 H 1 2.00 0.03 . 2 . . . . A 135 GLU HB3 . 34450 1 446 . 1 . 1 37 37 GLU C C 13 171.51 0.20 . 1 . . . . A 135 GLU C . 34450 1 447 . 1 . 1 37 37 GLU CA C 13 54.34 0.20 . 1 . . . . A 135 GLU CA . 34450 1 448 . 1 . 1 37 37 GLU CB C 13 29.18 0.20 . 1 . . . . A 135 GLU CB . 34450 1 449 . 1 . 1 37 37 GLU N N 15 111.94 0.20 . 1 . . . . A 135 GLU N . 34450 1 450 . 1 . 1 38 38 PRO HA H 1 4.86 0.03 . 1 . . . . A 136 PRO HA . 34450 1 451 . 1 . 1 38 38 PRO HB2 H 1 2.70 0.03 . 2 . . . . A 136 PRO HB2 . 34450 1 452 . 1 . 1 38 38 PRO HB3 H 1 2.08 0.03 . 2 . . . . A 136 PRO HB3 . 34450 1 453 . 1 . 1 38 38 PRO HG2 H 1 2.18 0.03 . 2 . . . . A 136 PRO HG2 . 34450 1 454 . 1 . 1 38 38 PRO HG3 H 1 2.08 0.03 . 2 . . . . A 136 PRO HG3 . 34450 1 455 . 1 . 1 38 38 PRO HD2 H 1 3.94 0.03 . 2 . . . . A 136 PRO HD2 . 34450 1 456 . 1 . 1 38 38 PRO HD3 H 1 3.77 0.03 . 2 . . . . A 136 PRO HD3 . 34450 1 457 . 1 . 1 38 38 PRO C C 13 175.20 0.20 . 1 . . . . A 136 PRO C . 34450 1 458 . 1 . 1 38 38 PRO CA C 13 63.71 0.20 . 1 . . . . A 136 PRO CA . 34450 1 459 . 1 . 1 38 38 PRO CB C 13 32.78 0.20 . 1 . . . . A 136 PRO CB . 34450 1 460 . 1 . 1 38 38 PRO CG C 13 27.73 0.20 . 1 . . . . A 136 PRO CG . 34450 1 461 . 1 . 1 38 38 PRO CD C 13 51.24 0.20 . 1 . . . . A 136 PRO CD . 34450 1 462 . 1 . 1 38 38 PRO N N 15 133.89 0.20 . 1 . . . . A 136 PRO N . 34450 1 463 . 1 . 1 39 39 ASP H H 1 8.49 0.03 . 1 . . . . A 137 ASP H . 34450 1 464 . 1 . 1 39 39 ASP HA H 1 4.89 0.03 . 1 . . . . A 137 ASP HA . 34450 1 465 . 1 . 1 39 39 ASP HB2 H 1 2.33 0.03 . 2 . . . . A 137 ASP HB2 . 34450 1 466 . 1 . 1 39 39 ASP HB3 H 1 2.28 0.03 . 2 . . . . A 137 ASP HB3 . 34450 1 467 . 1 . 1 39 39 ASP C C 13 175.50 0.20 . 1 . . . . A 137 ASP C . 34450 1 468 . 1 . 1 39 39 ASP CA C 13 52.24 0.20 . 1 . . . . A 137 ASP CA . 34450 1 469 . 1 . 1 39 39 ASP CB C 13 41.14 0.20 . 1 . . . . A 137 ASP CB . 34450 1 470 . 1 . 1 39 39 ASP N N 15 123.75 0.20 . 1 . . . . A 137 ASP N . 34450 1 471 . 1 . 1 40 40 GLY H H 1 8.17 0.03 . 1 . . . . A 138 GLY H . 34450 1 472 . 1 . 1 40 40 GLY HA2 H 1 4.25 0.03 . 2 . . . . A 138 GLY HA2 . 34450 1 473 . 1 . 1 40 40 GLY HA3 H 1 3.78 0.03 . 2 . . . . A 138 GLY HA3 . 34450 1 474 . 1 . 1 40 40 GLY C C 13 173.77 0.20 . 1 . . . . A 138 GLY C . 34450 1 475 . 1 . 1 40 40 GLY CA C 13 44.97 0.20 . 1 . . . . A 138 GLY CA . 34450 1 476 . 1 . 1 40 40 GLY N N 15 109.15 0.20 . 1 . . . . A 138 GLY N . 34450 1 477 . 1 . 1 41 41 ASP H H 1 8.55 0.03 . 1 . . . . A 139 ASP H . 34450 1 478 . 1 . 1 41 41 ASP HA H 1 4.65 0.03 . 1 . . . . A 139 ASP HA . 34450 1 479 . 1 . 1 41 41 ASP HB2 H 1 2.77 0.03 . 2 . . . . A 139 ASP HB2 . 34450 1 480 . 1 . 1 41 41 ASP HB3 H 1 2.71 0.03 . 2 . . . . A 139 ASP HB3 . 34450 1 481 . 1 . 1 41 41 ASP C C 13 178.33 0.20 . 1 . . . . A 139 ASP C . 34450 1 482 . 1 . 1 41 41 ASP CA C 13 56.12 0.20 . 1 . . . . A 139 ASP CA . 34450 1 483 . 1 . 1 41 41 ASP CB C 13 41.81 0.20 . 1 . . . . A 139 ASP CB . 34450 1 484 . 1 . 1 41 41 ASP N N 15 116.89 0.20 . 1 . . . . A 139 ASP N . 34450 1 485 . 1 . 1 42 42 THR H H 1 8.40 0.03 . 1 . . . . A 140 THR H . 34450 1 486 . 1 . 1 42 42 THR HA H 1 4.73 0.03 . 1 . . . . A 140 THR HA . 34450 1 487 . 1 . 1 42 42 THR HB H 1 4.65 0.03 . 1 . . . . A 140 THR HB . 34450 1 488 . 1 . 1 42 42 THR HG21 H 1 1.22 0.03 . 1 . . . . A 140 THR HG21 . 34450 1 489 . 1 . 1 42 42 THR HG22 H 1 1.22 0.03 . 1 . . . . A 140 THR HG22 . 34450 1 490 . 1 . 1 42 42 THR HG23 H 1 1.22 0.03 . 1 . . . . A 140 THR HG23 . 34450 1 491 . 1 . 1 42 42 THR C C 13 174.78 0.20 . 1 . . . . A 140 THR C . 34450 1 492 . 1 . 1 42 42 THR CA C 13 61.89 0.20 . 1 . . . . A 140 THR CA . 34450 1 493 . 1 . 1 42 42 THR CB C 13 70.40 0.20 . 1 . . . . A 140 THR CB . 34450 1 494 . 1 . 1 42 42 THR CG2 C 13 21.87 0.20 . 1 . . . . A 140 THR CG2 . 34450 1 495 . 1 . 1 42 42 THR N N 15 105.43 0.20 . 1 . . . . A 140 THR N . 34450 1 496 . 1 . 1 43 43 ARG H H 1 7.18 0.03 . 1 . . . . A 141 ARG H . 34450 1 497 . 1 . 1 43 43 ARG HA H 1 5.21 0.03 . 1 . . . . A 141 ARG HA . 34450 1 498 . 1 . 1 43 43 ARG HB2 H 1 2.09 0.03 . 2 . . . . A 141 ARG HB2 . 34450 1 499 . 1 . 1 43 43 ARG HB3 H 1 1.87 0.03 . 2 . . . . A 141 ARG HB3 . 34450 1 500 . 1 . 1 43 43 ARG HG2 H 1 1.74 0.03 . 2 . . . . A 141 ARG HG2 . 34450 1 501 . 1 . 1 43 43 ARG HG3 H 1 1.34 0.03 . 2 . . . . A 141 ARG HG3 . 34450 1 502 . 1 . 1 43 43 ARG HD2 H 1 3.22 0.03 . 2 . . . . A 141 ARG HD2 . 34450 1 503 . 1 . 1 43 43 ARG HD3 H 1 3.19 0.03 . 2 . . . . A 141 ARG HD3 . 34450 1 504 . 1 . 1 43 43 ARG C C 13 175.79 0.20 . 1 . . . . A 141 ARG C . 34450 1 505 . 1 . 1 43 43 ARG CA C 13 55.16 0.20 . 1 . . . . A 141 ARG CA . 34450 1 506 . 1 . 1 43 43 ARG CB C 13 35.32 0.20 . 1 . . . . A 141 ARG CB . 34450 1 507 . 1 . 1 43 43 ARG CG C 13 28.68 0.20 . 1 . . . . A 141 ARG CG . 34450 1 508 . 1 . 1 43 43 ARG CD C 13 43.40 0.20 . 1 . . . . A 141 ARG CD . 34450 1 509 . 1 . 1 43 43 ARG N N 15 120.62 0.20 . 1 . . . . A 141 ARG N . 34450 1 510 . 1 . 1 44 44 SER H H 1 9.15 0.03 . 1 . . . . A 142 SER H . 34450 1 511 . 1 . 1 44 44 SER HA H 1 4.98 0.03 . 1 . . . . A 142 SER HA . 34450 1 512 . 1 . 1 44 44 SER HB2 H 1 3.65 0.03 . 2 . . . . A 142 SER HB2 . 34450 1 513 . 1 . 1 44 44 SER HB3 H 1 3.58 0.03 . 2 . . . . A 142 SER HB3 . 34450 1 514 . 1 . 1 44 44 SER C C 13 171.03 0.20 . 1 . . . . A 142 SER C . 34450 1 515 . 1 . 1 44 44 SER CA C 13 58.86 0.20 . 1 . . . . A 142 SER CA . 34450 1 516 . 1 . 1 44 44 SER CB C 13 67.67 0.20 . 1 . . . . A 142 SER CB . 34450 1 517 . 1 . 1 44 44 SER N N 15 115.54 0.20 . 1 . . . . A 142 SER N . 34450 1 518 . 1 . 1 45 45 ILE H H 1 9.45 0.03 . 1 . . . . A 143 ILE H . 34450 1 519 . 1 . 1 45 45 ILE HA H 1 4.60 0.03 . 1 . . . . A 143 ILE HA . 34450 1 520 . 1 . 1 45 45 ILE HB H 1 1.79 0.03 . 1 . . . . A 143 ILE HB . 34450 1 521 . 1 . 1 45 45 ILE HG12 H 1 1.41 0.03 . 2 . . . . A 143 ILE HG12 . 34450 1 522 . 1 . 1 45 45 ILE HG13 H 1 1.18 0.03 . 2 . . . . A 143 ILE HG13 . 34450 1 523 . 1 . 1 45 45 ILE HG21 H 1 0.72 0.03 . 1 . . . . A 143 ILE HG21 . 34450 1 524 . 1 . 1 45 45 ILE HG22 H 1 0.72 0.03 . 1 . . . . A 143 ILE HG22 . 34450 1 525 . 1 . 1 45 45 ILE HG23 H 1 0.72 0.03 . 1 . . . . A 143 ILE HG23 . 34450 1 526 . 1 . 1 45 45 ILE HD11 H 1 0.65 0.03 . 1 . . . . A 143 ILE HD11 . 34450 1 527 . 1 . 1 45 45 ILE HD12 H 1 0.65 0.03 . 1 . . . . A 143 ILE HD12 . 34450 1 528 . 1 . 1 45 45 ILE HD13 H 1 0.65 0.03 . 1 . . . . A 143 ILE HD13 . 34450 1 529 . 1 . 1 45 45 ILE C C 13 175.01 0.20 . 1 . . . . A 143 ILE C . 34450 1 530 . 1 . 1 45 45 ILE CA C 13 59.28 0.20 . 1 . . . . A 143 ILE CA . 34450 1 531 . 1 . 1 45 45 ILE CB C 13 35.91 0.20 . 1 . . . . A 143 ILE CB . 34450 1 532 . 1 . 1 45 45 ILE CG1 C 13 27.22 0.20 . 1 . . . . A 143 ILE CG1 . 34450 1 533 . 1 . 1 45 45 ILE CG2 C 13 18.10 0.20 . 1 . . . . A 143 ILE CG2 . 34450 1 534 . 1 . 1 45 45 ILE CD1 C 13 10.36 0.20 . 1 . . . . A 143 ILE CD1 . 34450 1 535 . 1 . 1 45 45 ILE N N 15 124.08 0.20 . 1 . . . . A 143 ILE N . 34450 1 536 . 1 . 1 46 46 MET H H 1 8.90 0.03 . 1 . . . . A 144 MET H . 34450 1 537 . 1 . 1 46 46 MET HA H 1 4.97 0.03 . 1 . . . . A 144 MET HA . 34450 1 538 . 1 . 1 46 46 MET HB2 H 1 1.51 0.03 . 2 . . . . A 144 MET HB2 . 34450 1 539 . 1 . 1 46 46 MET HB3 H 1 1.42 0.03 . 2 . . . . A 144 MET HB3 . 34450 1 540 . 1 . 1 46 46 MET HG2 H 1 2.15 0.03 . 2 . . . . A 144 MET HG2 . 34450 1 541 . 1 . 1 46 46 MET HG3 H 1 1.88 0.03 . 2 . . . . A 144 MET HG3 . 34450 1 542 . 1 . 1 46 46 MET HE1 H 1 0.73 0.03 . 1 . . . . A 144 MET HE1 . 34450 1 543 . 1 . 1 46 46 MET HE2 H 1 0.73 0.03 . 1 . . . . A 144 MET HE2 . 34450 1 544 . 1 . 1 46 46 MET HE3 H 1 0.73 0.03 . 1 . . . . A 144 MET HE3 . 34450 1 545 . 1 . 1 46 46 MET C C 13 174.28 0.20 . 1 . . . . A 144 MET C . 34450 1 546 . 1 . 1 46 46 MET CA C 13 52.70 0.20 . 1 . . . . A 144 MET CA . 34450 1 547 . 1 . 1 46 46 MET CB C 13 35.96 0.20 . 1 . . . . A 144 MET CB . 34450 1 548 . 1 . 1 46 46 MET CG C 13 31.72 0.20 . 1 . . . . A 144 MET CG . 34450 1 549 . 1 . 1 46 46 MET CE C 13 17.19 0.20 . 1 . . . . A 144 MET CE . 34450 1 550 . 1 . 1 46 46 MET N N 15 124.07 0.20 . 1 . . . . A 144 MET N . 34450 1 551 . 1 . 1 47 47 LEU H H 1 9.29 0.03 . 1 . . . . A 145 LEU H . 34450 1 552 . 1 . 1 47 47 LEU HA H 1 4.51 0.03 . 1 . . . . A 145 LEU HA . 34450 1 553 . 1 . 1 47 47 LEU HB2 H 1 1.50 0.03 . 2 . . . . A 145 LEU HB2 . 34450 1 554 . 1 . 1 47 47 LEU HB3 H 1 1.37 0.03 . 2 . . . . A 145 LEU HB3 . 34450 1 555 . 1 . 1 47 47 LEU HG H 1 1.34 0.03 . 1 . . . . A 145 LEU HG . 34450 1 556 . 1 . 1 47 47 LEU HD11 H 1 0.65 0.03 . 1 . . . . A 145 LEU HD11 . 34450 1 557 . 1 . 1 47 47 LEU HD12 H 1 0.65 0.03 . 1 . . . . A 145 LEU HD12 . 34450 1 558 . 1 . 1 47 47 LEU HD13 H 1 0.65 0.03 . 1 . . . . A 145 LEU HD13 . 34450 1 559 . 1 . 1 47 47 LEU HD21 H 1 0.71 0.03 . 1 . . . . A 145 LEU HD21 . 34450 1 560 . 1 . 1 47 47 LEU HD22 H 1 0.71 0.03 . 1 . . . . A 145 LEU HD22 . 34450 1 561 . 1 . 1 47 47 LEU HD23 H 1 0.71 0.03 . 1 . . . . A 145 LEU HD23 . 34450 1 562 . 1 . 1 47 47 LEU C C 13 176.41 0.20 . 1 . . . . A 145 LEU C . 34450 1 563 . 1 . 1 47 47 LEU CA C 13 53.72 0.20 . 1 . . . . A 145 LEU CA . 34450 1 564 . 1 . 1 47 47 LEU CB C 13 42.99 0.20 . 1 . . . . A 145 LEU CB . 34450 1 565 . 1 . 1 47 47 LEU CG C 13 26.49 0.20 . 1 . . . . A 145 LEU CG . 34450 1 566 . 1 . 1 47 47 LEU CD1 C 13 23.86 0.20 . 2 . . . . A 145 LEU CD1 . 34450 1 567 . 1 . 1 47 47 LEU CD2 C 13 24.33 0.20 . 2 . . . . A 145 LEU CD2 . 34450 1 568 . 1 . 1 47 47 LEU N N 15 121.71 0.20 . 1 . . . . A 145 LEU N . 34450 1 569 . 1 . 1 48 48 VAL H H 1 8.77 0.03 . 1 . . . . A 146 VAL H . 34450 1 570 . 1 . 1 48 48 VAL HA H 1 4.18 0.03 . 1 . . . . A 146 VAL HA . 34450 1 571 . 1 . 1 48 48 VAL HB H 1 1.81 0.03 . 1 . . . . A 146 VAL HB . 34450 1 572 . 1 . 1 48 48 VAL HG11 H 1 0.58 0.03 . 1 . . . . A 146 VAL HG11 . 34450 1 573 . 1 . 1 48 48 VAL HG12 H 1 0.58 0.03 . 1 . . . . A 146 VAL HG12 . 34450 1 574 . 1 . 1 48 48 VAL HG13 H 1 0.58 0.03 . 1 . . . . A 146 VAL HG13 . 34450 1 575 . 1 . 1 48 48 VAL HG21 H 1 0.61 0.03 . 1 . . . . A 146 VAL HG21 . 34450 1 576 . 1 . 1 48 48 VAL HG22 H 1 0.61 0.03 . 1 . . . . A 146 VAL HG22 . 34450 1 577 . 1 . 1 48 48 VAL HG23 H 1 0.61 0.03 . 1 . . . . A 146 VAL HG23 . 34450 1 578 . 1 . 1 48 48 VAL C C 13 175.11 0.20 . 1 . . . . A 146 VAL C . 34450 1 579 . 1 . 1 48 48 VAL CA C 13 61.49 0.20 . 1 . . . . A 146 VAL CA . 34450 1 580 . 1 . 1 48 48 VAL CB C 13 33.77 0.20 . 1 . . . . A 146 VAL CB . 34450 1 581 . 1 . 1 48 48 VAL CG1 C 13 20.83 0.20 . 2 . . . . A 146 VAL CG1 . 34450 1 582 . 1 . 1 48 48 VAL CG2 C 13 21.56 0.20 . 2 . . . . A 146 VAL CG2 . 34450 1 583 . 1 . 1 48 48 VAL N N 15 125.79 0.20 . 1 . . . . A 146 VAL N . 34450 1 584 . 1 . 1 49 49 LYS H H 1 8.34 0.03 . 1 . . . . A 147 LYS H . 34450 1 585 . 1 . 1 49 49 LYS HA H 1 4.41 0.03 . 1 . . . . A 147 LYS HA . 34450 1 586 . 1 . 1 49 49 LYS HB2 H 1 1.84 0.03 . 2 . . . . A 147 LYS HB2 . 34450 1 587 . 1 . 1 49 49 LYS HB3 H 1 1.72 0.03 . 2 . . . . A 147 LYS HB3 . 34450 1 588 . 1 . 1 49 49 LYS HG2 H 1 1.28 0.03 . 2 . . . . A 147 LYS HG2 . 34450 1 589 . 1 . 1 49 49 LYS HG3 H 1 1.22 0.03 . 2 . . . . A 147 LYS HG3 . 34450 1 590 . 1 . 1 49 49 LYS HD2 H 1 1.63 0.03 . 2 . . . . A 147 LYS HD2 . 34450 1 591 . 1 . 1 49 49 LYS HD3 H 1 1.63 0.03 . 2 . . . . A 147 LYS HD3 . 34450 1 592 . 1 . 1 49 49 LYS HE2 H 1 2.78 0.03 . 2 . . . . A 147 LYS HE2 . 34450 1 593 . 1 . 1 49 49 LYS HE3 H 1 2.71 0.03 . 2 . . . . A 147 LYS HE3 . 34450 1 594 . 1 . 1 49 49 LYS C C 13 175.53 0.20 . 1 . . . . A 147 LYS C . 34450 1 595 . 1 . 1 49 49 LYS CA C 13 56.61 0.20 . 1 . . . . A 147 LYS CA . 34450 1 596 . 1 . 1 49 49 LYS CB C 13 31.84 0.20 . 1 . . . . A 147 LYS CB . 34450 1 597 . 1 . 1 49 49 LYS CG C 13 25.06 0.20 . 1 . . . . A 147 LYS CG . 34450 1 598 . 1 . 1 49 49 LYS CD C 13 29.45 0.20 . 1 . . . . A 147 LYS CD . 34450 1 599 . 1 . 1 49 49 LYS CE C 13 41.79 0.20 . 1 . . . . A 147 LYS CE . 34450 1 600 . 1 . 1 49 49 LYS N N 15 126.95 0.20 . 1 . . . . A 147 LYS N . 34450 1 601 . 1 . 1 50 50 MET H H 1 8.35 0.03 . 1 . . . . A 148 MET H . 34450 1 602 . 1 . 1 50 50 MET HA H 1 4.71 0.03 . 1 . . . . A 148 MET HA . 34450 1 603 . 1 . 1 50 50 MET HB2 H 1 2.19 0.03 . 2 . . . . A 148 MET HB2 . 34450 1 604 . 1 . 1 50 50 MET HB3 H 1 2.10 0.03 . 2 . . . . A 148 MET HB3 . 34450 1 605 . 1 . 1 50 50 MET HG2 H 1 2.54 0.03 . 2 . . . . A 148 MET HG2 . 34450 1 606 . 1 . 1 50 50 MET HG3 H 1 2.50 0.03 . 2 . . . . A 148 MET HG3 . 34450 1 607 . 1 . 1 50 50 MET HE1 H 1 2.09 0.03 . 1 . . . . A 148 MET HE1 . 34450 1 608 . 1 . 1 50 50 MET HE2 H 1 2.09 0.03 . 1 . . . . A 148 MET HE2 . 34450 1 609 . 1 . 1 50 50 MET HE3 H 1 2.09 0.03 . 1 . . . . A 148 MET HE3 . 34450 1 610 . 1 . 1 50 50 MET C C 13 176.00 0.20 . 1 . . . . A 148 MET C . 34450 1 611 . 1 . 1 50 50 MET CA C 13 54.81 0.20 . 1 . . . . A 148 MET CA . 34450 1 612 . 1 . 1 50 50 MET CB C 13 33.16 0.20 . 1 . . . . A 148 MET CB . 34450 1 613 . 1 . 1 50 50 MET CG C 13 32.60 0.20 . 1 . . . . A 148 MET CG . 34450 1 614 . 1 . 1 50 50 MET CE C 13 17.38 0.20 . 1 . . . . A 148 MET CE . 34450 1 615 . 1 . 1 50 50 MET N N 15 125.22 0.20 . 1 . . . . A 148 MET N . 34450 1 616 . 1 . 1 51 51 ILE H H 1 8.67 0.03 . 1 . . . . A 149 ILE H . 34450 1 617 . 1 . 1 51 51 ILE HA H 1 3.74 0.03 . 1 . . . . A 149 ILE HA . 34450 1 618 . 1 . 1 51 51 ILE HB H 1 2.18 0.03 . 1 . . . . A 149 ILE HB . 34450 1 619 . 1 . 1 51 51 ILE HG12 H 1 1.57 0.03 . 2 . . . . A 149 ILE HG12 . 34450 1 620 . 1 . 1 51 51 ILE HG13 H 1 1.22 0.03 . 2 . . . . A 149 ILE HG13 . 34450 1 621 . 1 . 1 51 51 ILE HG21 H 1 0.99 0.03 . 1 . . . . A 149 ILE HG21 . 34450 1 622 . 1 . 1 51 51 ILE HG22 H 1 0.99 0.03 . 1 . . . . A 149 ILE HG22 . 34450 1 623 . 1 . 1 51 51 ILE HG23 H 1 0.99 0.03 . 1 . . . . A 149 ILE HG23 . 34450 1 624 . 1 . 1 51 51 ILE HD11 H 1 0.92 0.03 . 1 . . . . A 149 ILE HD11 . 34450 1 625 . 1 . 1 51 51 ILE HD12 H 1 0.92 0.03 . 1 . . . . A 149 ILE HD12 . 34450 1 626 . 1 . 1 51 51 ILE HD13 H 1 0.92 0.03 . 1 . . . . A 149 ILE HD13 . 34450 1 627 . 1 . 1 51 51 ILE C C 13 176.32 0.20 . 1 . . . . A 149 ILE C . 34450 1 628 . 1 . 1 51 51 ILE CA C 13 64.49 0.20 . 1 . . . . A 149 ILE CA . 34450 1 629 . 1 . 1 51 51 ILE CB C 13 36.32 0.20 . 1 . . . . A 149 ILE CB . 34450 1 630 . 1 . 1 51 51 ILE CG1 C 13 27.95 0.20 . 1 . . . . A 149 ILE CG1 . 34450 1 631 . 1 . 1 51 51 ILE CG2 C 13 17.88 0.20 . 1 . . . . A 149 ILE CG2 . 34450 1 632 . 1 . 1 51 51 ILE CD1 C 13 12.56 0.20 . 1 . . . . A 149 ILE CD1 . 34450 1 633 . 1 . 1 51 51 ILE N N 15 121.40 0.20 . 1 . . . . A 149 ILE N . 34450 1 634 . 1 . 1 52 52 SER H H 1 8.33 0.03 . 1 . . . . A 150 SER H . 34450 1 635 . 1 . 1 52 52 SER HA H 1 4.51 0.03 . 1 . . . . A 150 SER HA . 34450 1 636 . 1 . 1 52 52 SER HB2 H 1 4.01 0.03 . 2 . . . . A 150 SER HB2 . 34450 1 637 . 1 . 1 52 52 SER HB3 H 1 3.91 0.03 . 2 . . . . A 150 SER HB3 . 34450 1 638 . 1 . 1 52 52 SER C C 13 173.88 0.20 . 1 . . . . A 150 SER C . 34450 1 639 . 1 . 1 52 52 SER CA C 13 58.74 0.20 . 1 . . . . A 150 SER CA . 34450 1 640 . 1 . 1 52 52 SER CB C 13 64.12 0.20 . 1 . . . . A 150 SER CB . 34450 1 641 . 1 . 1 52 52 SER N N 15 114.07 0.20 . 1 . . . . A 150 SER N . 34450 1 642 . 1 . 1 53 53 GLN H H 1 7.66 0.03 . 1 . . . . A 151 GLN H . 34450 1 643 . 1 . 1 53 53 GLN HA H 1 4.59 0.03 . 1 . . . . A 151 GLN HA . 34450 1 644 . 1 . 1 53 53 GLN HB2 H 1 2.12 0.03 . 2 . . . . A 151 GLN HB2 . 34450 1 645 . 1 . 1 53 53 GLN HB3 H 1 1.93 0.03 . 2 . . . . A 151 GLN HB3 . 34450 1 646 . 1 . 1 53 53 GLN HG2 H 1 2.29 0.03 . 2 . . . . A 151 GLN HG2 . 34450 1 647 . 1 . 1 53 53 GLN HG3 H 1 2.29 0.03 . 2 . . . . A 151 GLN HG3 . 34450 1 648 . 1 . 1 53 53 GLN C C 13 174.09 0.20 . 1 . . . . A 151 GLN C . 34450 1 649 . 1 . 1 53 53 GLN CA C 13 54.84 0.20 . 1 . . . . A 151 GLN CA . 34450 1 650 . 1 . 1 53 53 GLN CB C 13 31.18 0.20 . 1 . . . . A 151 GLN CB . 34450 1 651 . 1 . 1 53 53 GLN CG C 13 36.38 0.20 . 1 . . . . A 151 GLN CG . 34450 1 652 . 1 . 1 53 53 GLN N N 15 119.27 0.20 . 1 . . . . A 151 GLN N . 34450 1 653 . 1 . 1 54 54 GLN H H 1 8.58 0.03 . 1 . . . . A 152 GLN H . 34450 1 654 . 1 . 1 54 54 GLN HA H 1 4.93 0.03 . 1 . . . . A 152 GLN HA . 34450 1 655 . 1 . 1 54 54 GLN HB2 H 1 1.93 0.03 . 2 . . . . A 152 GLN HB2 . 34450 1 656 . 1 . 1 54 54 GLN HB3 H 1 1.80 0.03 . 2 . . . . A 152 GLN HB3 . 34450 1 657 . 1 . 1 54 54 GLN HG2 H 1 2.32 0.03 . 2 . . . . A 152 GLN HG2 . 34450 1 658 . 1 . 1 54 54 GLN HG3 H 1 2.32 0.03 . 2 . . . . A 152 GLN HG3 . 34450 1 659 . 1 . 1 54 54 GLN C C 13 175.58 0.20 . 1 . . . . A 152 GLN C . 34450 1 660 . 1 . 1 54 54 GLN CA C 13 55.10 0.20 . 1 . . . . A 152 GLN CA . 34450 1 661 . 1 . 1 54 54 GLN CB C 13 29.81 0.20 . 1 . . . . A 152 GLN CB . 34450 1 662 . 1 . 1 54 54 GLN CG C 13 33.83 0.20 . 1 . . . . A 152 GLN CG . 34450 1 663 . 1 . 1 54 54 GLN N N 15 121.21 0.20 . 1 . . . . A 152 GLN N . 34450 1 664 . 1 . 1 55 55 VAL H H 1 8.69 0.03 . 1 . . . . A 153 VAL H . 34450 1 665 . 1 . 1 55 55 VAL HA H 1 4.70 0.03 . 1 . . . . A 153 VAL HA . 34450 1 666 . 1 . 1 55 55 VAL HB H 1 2.01 0.03 . 1 . . . . A 153 VAL HB . 34450 1 667 . 1 . 1 55 55 VAL HG11 H 1 0.85 0.03 . 1 . . . . A 153 VAL HG11 . 34450 1 668 . 1 . 1 55 55 VAL HG12 H 1 0.85 0.03 . 1 . . . . A 153 VAL HG12 . 34450 1 669 . 1 . 1 55 55 VAL HG13 H 1 0.85 0.03 . 1 . . . . A 153 VAL HG13 . 34450 1 670 . 1 . 1 55 55 VAL HG21 H 1 0.89 0.03 . 1 . . . . A 153 VAL HG21 . 34450 1 671 . 1 . 1 55 55 VAL HG22 H 1 0.89 0.03 . 1 . . . . A 153 VAL HG22 . 34450 1 672 . 1 . 1 55 55 VAL HG23 H 1 0.89 0.03 . 1 . . . . A 153 VAL HG23 . 34450 1 673 . 1 . 1 55 55 VAL C C 13 173.46 0.20 . 1 . . . . A 153 VAL C . 34450 1 674 . 1 . 1 55 55 VAL CA C 13 58.50 0.20 . 1 . . . . A 153 VAL CA . 34450 1 675 . 1 . 1 55 55 VAL CB C 13 35.20 0.20 . 1 . . . . A 153 VAL CB . 34450 1 676 . 1 . 1 55 55 VAL CG1 C 13 20.24 0.20 . 2 . . . . A 153 VAL CG1 . 34450 1 677 . 1 . 1 55 55 VAL CG2 C 13 21.18 0.20 . 2 . . . . A 153 VAL CG2 . 34450 1 678 . 1 . 1 55 55 VAL N N 15 122.62 0.20 . 1 . . . . A 153 VAL N . 34450 1 679 . 1 . 1 56 56 PRO HA H 1 4.90 0.03 . 1 . . . . A 154 PRO HA . 34450 1 680 . 1 . 1 56 56 PRO HB2 H 1 1.77 0.03 . 2 . . . . A 154 PRO HB2 . 34450 1 681 . 1 . 1 56 56 PRO HB3 H 1 1.77 0.03 . 2 . . . . A 154 PRO HB3 . 34450 1 682 . 1 . 1 56 56 PRO HG2 H 1 2.13 0.03 . 2 . . . . A 154 PRO HG2 . 34450 1 683 . 1 . 1 56 56 PRO HG3 H 1 1.84 0.03 . 2 . . . . A 154 PRO HG3 . 34450 1 684 . 1 . 1 56 56 PRO HD2 H 1 3.74 0.03 . 2 . . . . A 154 PRO HD2 . 34450 1 685 . 1 . 1 56 56 PRO HD3 H 1 3.67 0.03 . 2 . . . . A 154 PRO HD3 . 34450 1 686 . 1 . 1 56 56 PRO C C 13 176.43 0.20 . 1 . . . . A 154 PRO C . 34450 1 687 . 1 . 1 56 56 PRO CA C 13 61.94 0.20 . 1 . . . . A 154 PRO CA . 34450 1 688 . 1 . 1 56 56 PRO CB C 13 31.29 0.20 . 1 . . . . A 154 PRO CB . 34450 1 689 . 1 . 1 56 56 PRO CG C 13 27.34 0.20 . 1 . . . . A 154 PRO CG . 34450 1 690 . 1 . 1 56 56 PRO CD C 13 50.78 0.20 . 1 . . . . A 154 PRO CD . 34450 1 691 . 1 . 1 56 56 PRO N N 15 138.51 0.20 . 1 . . . . A 154 PRO N . 34450 1 692 . 1 . 1 57 57 MET H H 1 9.21 0.03 . 1 . . . . A 155 MET H . 34450 1 693 . 1 . 1 57 57 MET HA H 1 4.71 0.03 . 1 . . . . A 155 MET HA . 34450 1 694 . 1 . 1 57 57 MET HB2 H 1 1.78 0.03 . 2 . . . . A 155 MET HB2 . 34450 1 695 . 1 . 1 57 57 MET HB3 H 1 1.57 0.03 . 2 . . . . A 155 MET HB3 . 34450 1 696 . 1 . 1 57 57 MET HG2 H 1 2.27 0.03 . 2 . . . . A 155 MET HG2 . 34450 1 697 . 1 . 1 57 57 MET HG3 H 1 2.19 0.03 . 2 . . . . A 155 MET HG3 . 34450 1 698 . 1 . 1 57 57 MET HE1 H 1 1.88 0.03 . 1 . . . . A 155 MET HE1 . 34450 1 699 . 1 . 1 57 57 MET HE2 H 1 1.88 0.03 . 1 . . . . A 155 MET HE2 . 34450 1 700 . 1 . 1 57 57 MET HE3 H 1 1.88 0.03 . 1 . . . . A 155 MET HE3 . 34450 1 701 . 1 . 1 57 57 MET C C 13 173.93 0.20 . 1 . . . . A 155 MET C . 34450 1 702 . 1 . 1 57 57 MET CA C 13 53.85 0.20 . 1 . . . . A 155 MET CA . 34450 1 703 . 1 . 1 57 57 MET CB C 13 36.47 0.20 . 1 . . . . A 155 MET CB . 34450 1 704 . 1 . 1 57 57 MET CG C 13 32.15 0.20 . 1 . . . . A 155 MET CG . 34450 1 705 . 1 . 1 57 57 MET CE C 13 17.09 0.20 . 1 . . . . A 155 MET CE . 34450 1 706 . 1 . 1 57 57 MET N N 15 123.30 0.20 . 1 . . . . A 155 MET N . 34450 1 707 . 1 . 1 58 58 SER H H 1 8.41 0.03 . 1 . . . . A 156 SER H . 34450 1 708 . 1 . 1 58 58 SER HA H 1 4.99 0.03 . 1 . . . . A 156 SER HA . 34450 1 709 . 1 . 1 58 58 SER HB2 H 1 3.77 0.03 . 2 . . . . A 156 SER HB2 . 34450 1 710 . 1 . 1 58 58 SER HB3 H 1 3.59 0.03 . 2 . . . . A 156 SER HB3 . 34450 1 711 . 1 . 1 58 58 SER C C 13 175.10 0.20 . 1 . . . . A 156 SER C . 34450 1 712 . 1 . 1 58 58 SER CA C 13 57.08 0.20 . 1 . . . . A 156 SER CA . 34450 1 713 . 1 . 1 58 58 SER CB C 13 62.38 0.20 . 1 . . . . A 156 SER CB . 34450 1 714 . 1 . 1 58 58 SER N N 15 116.13 0.20 . 1 . . . . A 156 SER N . 34450 1 715 . 1 . 1 59 59 ILE H H 1 9.38 0.03 . 1 . . . . A 157 ILE H . 34450 1 716 . 1 . 1 59 59 ILE HA H 1 4.60 0.03 . 1 . . . . A 157 ILE HA . 34450 1 717 . 1 . 1 59 59 ILE HB H 1 1.86 0.03 . 1 . . . . A 157 ILE HB . 34450 1 718 . 1 . 1 59 59 ILE HG12 H 1 1.37 0.03 . 2 . . . . A 157 ILE HG12 . 34450 1 719 . 1 . 1 59 59 ILE HG13 H 1 1.27 0.03 . 2 . . . . A 157 ILE HG13 . 34450 1 720 . 1 . 1 59 59 ILE HG21 H 1 1.38 0.03 . 1 . . . . A 157 ILE HG21 . 34450 1 721 . 1 . 1 59 59 ILE HG22 H 1 1.38 0.03 . 1 . . . . A 157 ILE HG22 . 34450 1 722 . 1 . 1 59 59 ILE HG23 H 1 1.38 0.03 . 1 . . . . A 157 ILE HG23 . 34450 1 723 . 1 . 1 59 59 ILE HD11 H 1 0.70 0.03 . 1 . . . . A 157 ILE HD11 . 34450 1 724 . 1 . 1 59 59 ILE HD12 H 1 0.70 0.03 . 1 . . . . A 157 ILE HD12 . 34450 1 725 . 1 . 1 59 59 ILE HD13 H 1 0.70 0.03 . 1 . . . . A 157 ILE HD13 . 34450 1 726 . 1 . 1 59 59 ILE C C 13 176.09 0.20 . 1 . . . . A 157 ILE C . 34450 1 727 . 1 . 1 59 59 ILE CA C 13 59.28 0.20 . 1 . . . . A 157 ILE CA . 34450 1 728 . 1 . 1 59 59 ILE CB C 13 40.47 0.20 . 1 . . . . A 157 ILE CB . 34450 1 729 . 1 . 1 59 59 ILE CG1 C 13 27.06 0.20 . 1 . . . . A 157 ILE CG1 . 34450 1 730 . 1 . 1 59 59 ILE CG2 C 13 17.37 0.20 . 1 . . . . A 157 ILE CG2 . 34450 1 731 . 1 . 1 59 59 ILE CD1 C 13 11.66 0.20 . 1 . . . . A 157 ILE CD1 . 34450 1 732 . 1 . 1 59 59 ILE N N 15 130.90 0.20 . 1 . . . . A 157 ILE N . 34450 1 733 . 1 . 1 60 60 GLU H H 1 9.31 0.03 . 1 . . . . A 158 GLU H . 34450 1 734 . 1 . 1 60 60 GLU HA H 1 4.40 0.03 . 1 . . . . A 158 GLU HA . 34450 1 735 . 1 . 1 60 60 GLU HB2 H 1 2.28 0.03 . 2 . . . . A 158 GLU HB2 . 34450 1 736 . 1 . 1 60 60 GLU HB3 H 1 2.04 0.03 . 2 . . . . A 158 GLU HB3 . 34450 1 737 . 1 . 1 60 60 GLU HG2 H 1 2.49 0.03 . 2 . . . . A 158 GLU HG2 . 34450 1 738 . 1 . 1 60 60 GLU HG3 H 1 2.49 0.03 . 2 . . . . A 158 GLU HG3 . 34450 1 739 . 1 . 1 60 60 GLU C C 13 178.81 0.20 . 1 . . . . A 158 GLU C . 34450 1 740 . 1 . 1 60 60 GLU CA C 13 58.22 0.20 . 1 . . . . A 158 GLU CA . 34450 1 741 . 1 . 1 60 60 GLU CB C 13 30.16 0.20 . 1 . . . . A 158 GLU CB . 34450 1 742 . 1 . 1 60 60 GLU CG C 13 36.94 0.20 . 1 . . . . A 158 GLU CG . 34450 1 743 . 1 . 1 60 60 GLU N N 15 127.35 0.20 . 1 . . . . A 158 GLU N . 34450 1 744 . 1 . 1 61 61 ASN H H 1 9.09 0.03 . 1 . . . . A 159 ASN H . 34450 1 745 . 1 . 1 61 61 ASN HA H 1 4.57 0.03 . 1 . . . . A 159 ASN HA . 34450 1 746 . 1 . 1 61 61 ASN HB2 H 1 2.77 0.03 . 2 . . . . A 159 ASN HB2 . 34450 1 747 . 1 . 1 61 61 ASN HB3 H 1 2.69 0.03 . 2 . . . . A 159 ASN HB3 . 34450 1 748 . 1 . 1 61 61 ASN HD21 H 1 7.18 0.03 . 1 . . . . A 159 ASN HD21 . 34450 1 749 . 1 . 1 61 61 ASN HD22 H 1 7.57 0.03 . 1 . . . . A 159 ASN HD22 . 34450 1 750 . 1 . 1 61 61 ASN C C 13 176.08 0.20 . 1 . . . . A 159 ASN C . 34450 1 751 . 1 . 1 61 61 ASN CA C 13 54.81 0.20 . 1 . . . . A 159 ASN CA . 34450 1 752 . 1 . 1 61 61 ASN CB C 13 36.50 0.20 . 1 . . . . A 159 ASN CB . 34450 1 753 . 1 . 1 61 61 ASN CG C 13 175.95 0.20 . 1 . . . . A 159 ASN CG . 34450 1 754 . 1 . 1 61 61 ASN N N 15 123.16 0.20 . 1 . . . . A 159 ASN N . 34450 1 755 . 1 . 1 61 61 ASN ND2 N 15 110.91 0.20 . 1 . . . . A 159 ASN ND2 . 34450 1 756 . 1 . 1 62 62 THR H H 1 7.56 0.03 . 1 . . . . A 160 THR H . 34450 1 757 . 1 . 1 62 62 THR HA H 1 4.05 0.03 . 1 . . . . A 160 THR HA . 34450 1 758 . 1 . 1 62 62 THR HB H 1 4.37 0.03 . 1 . . . . A 160 THR HB . 34450 1 759 . 1 . 1 62 62 THR HG21 H 1 1.26 0.03 . 1 . . . . A 160 THR HG21 . 34450 1 760 . 1 . 1 62 62 THR HG22 H 1 1.26 0.03 . 1 . . . . A 160 THR HG22 . 34450 1 761 . 1 . 1 62 62 THR HG23 H 1 1.26 0.03 . 1 . . . . A 160 THR HG23 . 34450 1 762 . 1 . 1 62 62 THR C C 13 176.62 0.20 . 1 . . . . A 160 THR C . 34450 1 763 . 1 . 1 62 62 THR CA C 13 62.94 0.20 . 1 . . . . A 160 THR CA . 34450 1 764 . 1 . 1 62 62 THR CB C 13 69.34 0.20 . 1 . . . . A 160 THR CB . 34450 1 765 . 1 . 1 62 62 THR CG2 C 13 21.85 0.20 . 1 . . . . A 160 THR CG2 . 34450 1 766 . 1 . 1 62 62 THR N N 15 107.39 0.20 . 1 . . . . A 160 THR N . 34450 1 767 . 1 . 1 63 63 ASP H H 1 8.12 0.03 . 1 . . . . A 161 ASP H . 34450 1 768 . 1 . 1 63 63 ASP HA H 1 4.74 0.03 . 1 . . . . A 161 ASP HA . 34450 1 769 . 1 . 1 63 63 ASP HB2 H 1 3.21 0.03 . 2 . . . . A 161 ASP HB2 . 34450 1 770 . 1 . 1 63 63 ASP HB3 H 1 3.05 0.03 . 2 . . . . A 161 ASP HB3 . 34450 1 771 . 1 . 1 63 63 ASP C C 13 174.76 0.20 . 1 . . . . A 161 ASP C . 34450 1 772 . 1 . 1 63 63 ASP CA C 13 55.66 0.20 . 1 . . . . A 161 ASP CA . 34450 1 773 . 1 . 1 63 63 ASP CB C 13 41.01 0.20 . 1 . . . . A 161 ASP CB . 34450 1 774 . 1 . 1 63 63 ASP N N 15 120.27 0.20 . 1 . . . . A 161 ASP N . 34450 1 775 . 1 . 1 64 64 TRP H H 1 7.16 0.03 . 1 . . . . A 162 TRP H . 34450 1 776 . 1 . 1 64 64 TRP HA H 1 5.58 0.03 . 1 . . . . A 162 TRP HA . 34450 1 777 . 1 . 1 64 64 TRP HB2 H 1 3.42 0.03 . 2 . . . . A 162 TRP HB2 . 34450 1 778 . 1 . 1 64 64 TRP HB3 H 1 2.86 0.03 . 2 . . . . A 162 TRP HB3 . 34450 1 779 . 1 . 1 64 64 TRP HD1 H 1 7.15 0.03 . 1 . . . . A 162 TRP HD1 . 34450 1 780 . 1 . 1 64 64 TRP HE1 H 1 9.55 0.03 . 1 . . . . A 162 TRP HE1 . 34450 1 781 . 1 . 1 64 64 TRP HE3 H 1 7.22 0.03 . 1 . . . . A 162 TRP HE3 . 34450 1 782 . 1 . 1 64 64 TRP HZ2 H 1 7.38 0.03 . 1 . . . . A 162 TRP HZ2 . 34450 1 783 . 1 . 1 64 64 TRP HZ3 H 1 6.83 0.03 . 1 . . . . A 162 TRP HZ3 . 34450 1 784 . 1 . 1 64 64 TRP HH2 H 1 6.87 0.03 . 1 . . . . A 162 TRP HH2 . 34450 1 785 . 1 . 1 64 64 TRP C C 13 173.32 0.20 . 1 . . . . A 162 TRP C . 34450 1 786 . 1 . 1 64 64 TRP CA C 13 54.12 0.20 . 1 . . . . A 162 TRP CA . 34450 1 787 . 1 . 1 64 64 TRP CB C 13 33.23 0.20 . 1 . . . . A 162 TRP CB . 34450 1 788 . 1 . 1 64 64 TRP CD1 C 13 128.10 0.20 . 1 . . . . A 162 TRP CD1 . 34450 1 789 . 1 . 1 64 64 TRP CE3 C 13 120.44 0.20 . 1 . . . . A 162 TRP CE3 . 34450 1 790 . 1 . 1 64 64 TRP CZ2 C 13 114.40 0.20 . 1 . . . . A 162 TRP CZ2 . 34450 1 791 . 1 . 1 64 64 TRP CZ3 C 13 121.55 0.20 . 1 . . . . A 162 TRP CZ3 . 34450 1 792 . 1 . 1 64 64 TRP CH2 C 13 124.35 0.20 . 1 . . . . A 162 TRP CH2 . 34450 1 793 . 1 . 1 64 64 TRP N N 15 115.16 0.20 . 1 . . . . A 162 TRP N . 34450 1 794 . 1 . 1 64 64 TRP NE1 N 15 128.23 0.20 . 1 . . . . A 162 TRP NE1 . 34450 1 795 . 1 . 1 65 65 GLU H H 1 9.09 0.03 . 1 . . . . A 163 GLU H . 34450 1 796 . 1 . 1 65 65 GLU HA H 1 4.59 0.03 . 1 . . . . A 163 GLU HA . 34450 1 797 . 1 . 1 65 65 GLU HB2 H 1 2.08 0.03 . 2 . . . . A 163 GLU HB2 . 34450 1 798 . 1 . 1 65 65 GLU HB3 H 1 1.79 0.03 . 2 . . . . A 163 GLU HB3 . 34450 1 799 . 1 . 1 65 65 GLU HG2 H 1 2.08 0.03 . 2 . . . . A 163 GLU HG2 . 34450 1 800 . 1 . 1 65 65 GLU HG3 H 1 2.08 0.03 . 2 . . . . A 163 GLU HG3 . 34450 1 801 . 1 . 1 65 65 GLU C C 13 175.52 0.20 . 1 . . . . A 163 GLU C . 34450 1 802 . 1 . 1 65 65 GLU CA C 13 54.77 0.20 . 1 . . . . A 163 GLU CA . 34450 1 803 . 1 . 1 65 65 GLU CB C 13 33.20 0.20 . 1 . . . . A 163 GLU CB . 34450 1 804 . 1 . 1 65 65 GLU CG C 13 35.29 0.20 . 1 . . . . A 163 GLU CG . 34450 1 805 . 1 . 1 65 65 GLU N N 15 118.15 0.20 . 1 . . . . A 163 GLU N . 34450 1 806 . 1 . 1 66 66 VAL H H 1 8.66 0.03 . 1 . . . . A 164 VAL H . 34450 1 807 . 1 . 1 66 66 VAL HA H 1 4.39 0.03 . 1 . . . . A 164 VAL HA . 34450 1 808 . 1 . 1 66 66 VAL HB H 1 2.26 0.03 . 1 . . . . A 164 VAL HB . 34450 1 809 . 1 . 1 66 66 VAL HG11 H 1 1.05 0.03 . 1 . . . . A 164 VAL HG11 . 34450 1 810 . 1 . 1 66 66 VAL HG12 H 1 1.05 0.03 . 1 . . . . A 164 VAL HG12 . 34450 1 811 . 1 . 1 66 66 VAL HG13 H 1 1.05 0.03 . 1 . . . . A 164 VAL HG13 . 34450 1 812 . 1 . 1 66 66 VAL HG21 H 1 1.08 0.03 . 1 . . . . A 164 VAL HG21 . 34450 1 813 . 1 . 1 66 66 VAL HG22 H 1 1.08 0.03 . 1 . . . . A 164 VAL HG22 . 34450 1 814 . 1 . 1 66 66 VAL HG23 H 1 1.08 0.03 . 1 . . . . A 164 VAL HG23 . 34450 1 815 . 1 . 1 66 66 VAL C C 13 175.70 0.20 . 1 . . . . A 164 VAL C . 34450 1 816 . 1 . 1 66 66 VAL CA C 13 63.15 0.20 . 1 . . . . A 164 VAL CA . 34450 1 817 . 1 . 1 66 66 VAL CB C 13 32.81 0.20 . 1 . . . . A 164 VAL CB . 34450 1 818 . 1 . 1 66 66 VAL CG1 C 13 20.86 0.20 . 2 . . . . A 164 VAL CG1 . 34450 1 819 . 1 . 1 66 66 VAL CG2 C 13 21.84 0.20 . 2 . . . . A 164 VAL CG2 . 34450 1 820 . 1 . 1 66 66 VAL N N 15 119.70 0.20 . 1 . . . . A 164 VAL N . 34450 1 821 . 1 . 1 67 67 THR H H 1 7.89 0.03 . 1 . . . . A 165 THR H . 34450 1 822 . 1 . 1 67 67 THR HA H 1 4.22 0.03 . 1 . . . . A 165 THR HA . 34450 1 823 . 1 . 1 67 67 THR HB H 1 4.24 0.03 . 1 . . . . A 165 THR HB . 34450 1 824 . 1 . 1 67 67 THR HG21 H 1 1.17 0.03 . 1 . . . . A 165 THR HG21 . 34450 1 825 . 1 . 1 67 67 THR HG22 H 1 1.17 0.03 . 1 . . . . A 165 THR HG22 . 34450 1 826 . 1 . 1 67 67 THR HG23 H 1 1.17 0.03 . 1 . . . . A 165 THR HG23 . 34450 1 827 . 1 . 1 67 67 THR C C 13 179.23 0.20 . 1 . . . . A 165 THR C . 34450 1 828 . 1 . 1 67 67 THR CA C 13 63.16 0.20 . 1 . . . . A 165 THR CA . 34450 1 829 . 1 . 1 67 67 THR CB C 13 70.63 0.20 . 1 . . . . A 165 THR CB . 34450 1 830 . 1 . 1 67 67 THR CG2 C 13 22.32 0.20 . 1 . . . . A 165 THR CG2 . 34450 1 831 . 1 . 1 67 67 THR N N 15 121.23 0.20 . 1 . . . . A 165 THR N . 34450 1 stop_ save_