data_50190 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50190 _Entry.Title ; NMR backbone assignment and dynamics of Heimdallarchaeota Profilin from the superphylum Asgard ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-02-04 _Entry.Accession_date 2020-02-04 _Entry.Last_release_date 2020-02-04 _Entry.Original_release_date 2020-02-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.1.31 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1_CcpNMR _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Celestine Chi . . I . 50190 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50190 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 352 50190 '15N chemical shifts' 130 50190 '1H chemical shifts' 664 50190 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2021-07-27 . original BMRB . 50190 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50190 _Citation.ID 1 _Citation.Name 'Heimdallarchaeota profilin' _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32985518 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR resonance assignment and dynamics of profilin from Heimdallarchaeota ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full 'Scientific reports' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _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 15867 _Citation.Page_last 15867 _Citation.Year 2020 _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 'Syed Razaul' Haq S. R. . . 50190 1 2 Sabeen Survery S. . . . 50190 1 3 Fredrik Hurtig F. . . . 50190 1 4 Ann-Christin Lindas A. C. . . 50190 1 5 Celestine Chi C. N. . . 50190 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50190 _Assembly.ID 1 _Assembly.Name 'Heimdallarchaeota profilin' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'full length protein' 1 $entity_1 . . yes native no no . . . 50190 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50190 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Heimdallarchaeota _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 ; MKDGFILKKKKIPKNIFRIG NKEMSYSDDLNSLIQSQYVS YVVILDPNGAIYWTNNENWQ VNGSEVLRQWMGSAPSITVA GTKFSSFRNEPGVSFVGRNM AGGGLIILQKAPNGYVFLSW TSHEFLTTSGLPPLNIHAEI AMMAAKFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'modulation of actin polymerization' 50190 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 50190 1 2 . LYS . 50190 1 3 . ASP . 50190 1 4 . GLY . 50190 1 5 . PHE . 50190 1 6 . ILE . 50190 1 7 . LEU . 50190 1 8 . LYS . 50190 1 9 . LYS . 50190 1 10 . LYS . 50190 1 11 . LYS . 50190 1 12 . ILE . 50190 1 13 . PRO . 50190 1 14 . LYS . 50190 1 15 . ASN . 50190 1 16 . ILE . 50190 1 17 . PHE . 50190 1 18 . ARG . 50190 1 19 . ILE . 50190 1 20 . GLY . 50190 1 21 . ASN . 50190 1 22 . LYS . 50190 1 23 . GLU . 50190 1 24 . MET . 50190 1 25 . SER . 50190 1 26 . TYR . 50190 1 27 . SER . 50190 1 28 . ASP . 50190 1 29 . ASP . 50190 1 30 . LEU . 50190 1 31 . ASN . 50190 1 32 . SER . 50190 1 33 . LEU . 50190 1 34 . ILE . 50190 1 35 . GLN . 50190 1 36 . SER . 50190 1 37 . GLN . 50190 1 38 . TYR . 50190 1 39 . VAL . 50190 1 40 . SER . 50190 1 41 . TYR . 50190 1 42 . VAL . 50190 1 43 . VAL . 50190 1 44 . ILE . 50190 1 45 . LEU . 50190 1 46 . ASP . 50190 1 47 . PRO . 50190 1 48 . ASN . 50190 1 49 . GLY . 50190 1 50 . ALA . 50190 1 51 . ILE . 50190 1 52 . TYR . 50190 1 53 . TRP . 50190 1 54 . THR . 50190 1 55 . ASN . 50190 1 56 . ASN . 50190 1 57 . GLU . 50190 1 58 . ASN . 50190 1 59 . TRP . 50190 1 60 . GLN . 50190 1 61 . VAL . 50190 1 62 . ASN . 50190 1 63 . GLY . 50190 1 64 . SER . 50190 1 65 . GLU . 50190 1 66 . VAL . 50190 1 67 . LEU . 50190 1 68 . ARG . 50190 1 69 . GLN . 50190 1 70 . TRP . 50190 1 71 . MET . 50190 1 72 . GLY . 50190 1 73 . SER . 50190 1 74 . ALA . 50190 1 75 . PRO . 50190 1 76 . SER . 50190 1 77 . ILE . 50190 1 78 . THR . 50190 1 79 . VAL . 50190 1 80 . ALA . 50190 1 81 . GLY . 50190 1 82 . THR . 50190 1 83 . LYS . 50190 1 84 . PHE . 50190 1 85 . SER . 50190 1 86 . SER . 50190 1 87 . PHE . 50190 1 88 . ARG . 50190 1 89 . ASN . 50190 1 90 . GLU . 50190 1 91 . PRO . 50190 1 92 . GLY . 50190 1 93 . VAL . 50190 1 94 . SER . 50190 1 95 . PHE . 50190 1 96 . VAL . 50190 1 97 . GLY . 50190 1 98 . ARG . 50190 1 99 . ASN . 50190 1 100 . MET . 50190 1 101 . ALA . 50190 1 102 . GLY . 50190 1 103 . GLY . 50190 1 104 . GLY . 50190 1 105 . LEU . 50190 1 106 . ILE . 50190 1 107 . ILE . 50190 1 108 . LEU . 50190 1 109 . GLN . 50190 1 110 . LYS . 50190 1 111 . ALA . 50190 1 112 . PRO . 50190 1 113 . ASN . 50190 1 114 . GLY . 50190 1 115 . TYR . 50190 1 116 . VAL . 50190 1 117 . PHE . 50190 1 118 . LEU . 50190 1 119 . SER . 50190 1 120 . TRP . 50190 1 121 . THR . 50190 1 122 . SER . 50190 1 123 . HIS . 50190 1 124 . GLU . 50190 1 125 . PHE . 50190 1 126 . LEU . 50190 1 127 . THR . 50190 1 128 . THR . 50190 1 129 . SER . 50190 1 130 . GLY . 50190 1 131 . LEU . 50190 1 132 . PRO . 50190 1 133 . PRO . 50190 1 134 . LEU . 50190 1 135 . ASN . 50190 1 136 . ILE . 50190 1 137 . HIS . 50190 1 138 . ALA . 50190 1 139 . GLU . 50190 1 140 . ILE . 50190 1 141 . ALA . 50190 1 142 . MET . 50190 1 143 . MET . 50190 1 144 . ALA . 50190 1 145 . ALA . 50190 1 146 . LYS . 50190 1 147 . PHE . 50190 1 148 . GLN . 50190 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50190 1 . LYS 2 2 50190 1 . ASP 3 3 50190 1 . GLY 4 4 50190 1 . PHE 5 5 50190 1 . ILE 6 6 50190 1 . LEU 7 7 50190 1 . LYS 8 8 50190 1 . LYS 9 9 50190 1 . LYS 10 10 50190 1 . LYS 11 11 50190 1 . ILE 12 12 50190 1 . PRO 13 13 50190 1 . LYS 14 14 50190 1 . ASN 15 15 50190 1 . ILE 16 16 50190 1 . PHE 17 17 50190 1 . ARG 18 18 50190 1 . ILE 19 19 50190 1 . GLY 20 20 50190 1 . ASN 21 21 50190 1 . LYS 22 22 50190 1 . GLU 23 23 50190 1 . MET 24 24 50190 1 . SER 25 25 50190 1 . TYR 26 26 50190 1 . SER 27 27 50190 1 . ASP 28 28 50190 1 . ASP 29 29 50190 1 . LEU 30 30 50190 1 . ASN 31 31 50190 1 . SER 32 32 50190 1 . LEU 33 33 50190 1 . ILE 34 34 50190 1 . GLN 35 35 50190 1 . SER 36 36 50190 1 . GLN 37 37 50190 1 . TYR 38 38 50190 1 . VAL 39 39 50190 1 . SER 40 40 50190 1 . TYR 41 41 50190 1 . VAL 42 42 50190 1 . VAL 43 43 50190 1 . ILE 44 44 50190 1 . LEU 45 45 50190 1 . ASP 46 46 50190 1 . PRO 47 47 50190 1 . ASN 48 48 50190 1 . GLY 49 49 50190 1 . ALA 50 50 50190 1 . ILE 51 51 50190 1 . TYR 52 52 50190 1 . TRP 53 53 50190 1 . THR 54 54 50190 1 . ASN 55 55 50190 1 . ASN 56 56 50190 1 . GLU 57 57 50190 1 . ASN 58 58 50190 1 . TRP 59 59 50190 1 . GLN 60 60 50190 1 . VAL 61 61 50190 1 . ASN 62 62 50190 1 . GLY 63 63 50190 1 . SER 64 64 50190 1 . GLU 65 65 50190 1 . VAL 66 66 50190 1 . LEU 67 67 50190 1 . ARG 68 68 50190 1 . GLN 69 69 50190 1 . TRP 70 70 50190 1 . MET 71 71 50190 1 . GLY 72 72 50190 1 . SER 73 73 50190 1 . ALA 74 74 50190 1 . PRO 75 75 50190 1 . SER 76 76 50190 1 . ILE 77 77 50190 1 . THR 78 78 50190 1 . VAL 79 79 50190 1 . ALA 80 80 50190 1 . GLY 81 81 50190 1 . THR 82 82 50190 1 . LYS 83 83 50190 1 . PHE 84 84 50190 1 . SER 85 85 50190 1 . SER 86 86 50190 1 . PHE 87 87 50190 1 . ARG 88 88 50190 1 . ASN 89 89 50190 1 . GLU 90 90 50190 1 . PRO 91 91 50190 1 . GLY 92 92 50190 1 . VAL 93 93 50190 1 . SER 94 94 50190 1 . PHE 95 95 50190 1 . VAL 96 96 50190 1 . GLY 97 97 50190 1 . ARG 98 98 50190 1 . ASN 99 99 50190 1 . MET 100 100 50190 1 . ALA 101 101 50190 1 . GLY 102 102 50190 1 . GLY 103 103 50190 1 . GLY 104 104 50190 1 . LEU 105 105 50190 1 . ILE 106 106 50190 1 . ILE 107 107 50190 1 . LEU 108 108 50190 1 . GLN 109 109 50190 1 . LYS 110 110 50190 1 . ALA 111 111 50190 1 . PRO 112 112 50190 1 . ASN 113 113 50190 1 . GLY 114 114 50190 1 . TYR 115 115 50190 1 . VAL 116 116 50190 1 . PHE 117 117 50190 1 . LEU 118 118 50190 1 . SER 119 119 50190 1 . TRP 120 120 50190 1 . THR 121 121 50190 1 . SER 122 122 50190 1 . HIS 123 123 50190 1 . GLU 124 124 50190 1 . PHE 125 125 50190 1 . LEU 126 126 50190 1 . THR 127 127 50190 1 . THR 128 128 50190 1 . SER 129 129 50190 1 . GLY 130 130 50190 1 . LEU 131 131 50190 1 . PRO 132 132 50190 1 . PRO 133 133 50190 1 . LEU 134 134 50190 1 . ASN 135 135 50190 1 . ILE 136 136 50190 1 . HIS 137 137 50190 1 . ALA 138 138 50190 1 . GLU 139 139 50190 1 . ILE 140 140 50190 1 . ALA 141 141 50190 1 . MET 142 142 50190 1 . MET 143 143 50190 1 . ALA 144 144 50190 1 . ALA 145 145 50190 1 . LYS 146 146 50190 1 . PHE 147 147 50190 1 . GLN 148 148 50190 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50190 _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 . 1936272 organism . heimdallarchaeota . . . Archaea . . . . . . . . . . . . . . . . 50190 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50190 _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' . . . . . . . . plasmid . . pSUMO-YHRC . . . 50190 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50190 _Sample.ID 1 _Sample.Name 'Heimdallarchaeota profilin' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 entity_1 '[U-100% 13C; U-100% 15N]' . . . . . . 0.5 . . mM . . . . 50190 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50190 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50190 _Sample_condition_list.ID 1 _Sample_condition_list.Name '_Sample_condition_list.profilin' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 50190 1 pH 6.5 . pH 50190 1 pressure 1 . atm 50190 1 temperature 310 . K 50190 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1_CcpNMR _Software.Sf_category software _Software.Sf_framecode software_1_CcpNMR _Software.Entry_ID 50190 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 50190 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50190 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_600_MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1_600_MHz _NMR_spectrometer.Entry_ID 50190 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model neoAvance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50190 _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 TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_600_MHz . . . . . . . . . . . . . . . . . 50190 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_600_MHz . . . . . . . . . . . . . . . . . 50190 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_600_MHz . . . . . . . . . . . . . . . . . 50190 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_600_MHz . . . . . . . . . . . . . . . . . 50190 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_600_MHz . . . . . . . . . . . . . . . . . 50190 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1_600_MHz . . . . . . . . . . . . . . . . . 50190 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 50190 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '_Chem_shift_reference.H20' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water 'methyl carbon' . . . . ppm 120 internal direct 1 . . . . . 50190 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50190 1 N 15 water nitrogen . . . . ppm 43 internal direct 1 . . . . . 50190 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 50190 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '_Assigned_chem_shift_list.heimdallarchaeota' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 50190 1 2 '3D HNCACB' . . . 50190 1 3 '3D HN(CO)CA' . . . 50190 1 4 '3D CBCA(CO)NH' . . . 50190 1 5 '3D 1H-15N NOESY' . . . 50190 1 6 '3D HCCH-TOCSY' . . . 50190 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 3 3 ASP HA H 1 4.483 0.002 . . . . . . . 3 ASP HA . 50190 1 2 . 1 . 1 3 3 ASP HB2 H 1 2.573 . . . . . . . . 3 ASP HB2 . 50190 1 3 . 1 . 1 3 3 ASP HB3 H 1 2.573 . . . . . . . . 3 ASP HB3 . 50190 1 4 . 1 . 1 3 3 ASP CA C 13 52.077 0.039 . . . . . . . 3 ASP CA . 50190 1 5 . 1 . 1 3 3 ASP CB C 13 38.624 0.065 . . . . . . . 3 ASP CB . 50190 1 6 . 1 . 1 4 4 GLY H H 1 8.192 0.008 . . . . . . . 4 GLY H . 50190 1 7 . 1 . 1 4 4 GLY CA C 13 42.619 . . . . . . . . 4 GLY CA . 50190 1 8 . 1 . 1 4 4 GLY N N 15 109.461 0.255 . . . . . . . 4 GLY N . 50190 1 9 . 1 . 1 5 5 PHE H H 1 7.586 . . . . . . . . 5 PHE H . 50190 1 10 . 1 . 1 5 5 PHE CA C 13 56.531 . . . . . . . . 5 PHE CA . 50190 1 11 . 1 . 1 5 5 PHE CB C 13 37.744 . . . . . . . . 5 PHE CB . 50190 1 12 . 1 . 1 5 5 PHE N N 15 125.440 0.004 . . . . . . . 5 PHE N . 50190 1 13 . 1 . 1 6 6 ILE HA H 1 4.013 0.017 . . . . . . . 6 ILE HA . 50190 1 14 . 1 . 1 6 6 ILE HB H 1 1.708 0.005 . . . . . . . 6 ILE HB . 50190 1 15 . 1 . 1 6 6 ILE HG21 H 1 0.838 . . . . . . . . 6 ILE QG2 . 50190 1 16 . 1 . 1 6 6 ILE HG22 H 1 0.838 . . . . . . . . 6 ILE QG2 . 50190 1 17 . 1 . 1 6 6 ILE HG23 H 1 0.838 . . . . . . . . 6 ILE QG2 . 50190 1 18 . 1 . 1 6 6 ILE CA C 13 58.572 0.071 . . . . . . . 6 ILE CA . 50190 1 19 . 1 . 1 6 6 ILE CB C 13 36.042 0.053 . . . . . . . 6 ILE CB . 50190 1 20 . 1 . 1 6 6 ILE CG1 C 13 24.451 0.068 . . . . . . . 6 ILE CG1 . 50190 1 21 . 1 . 1 6 6 ILE CG2 C 13 14.711 0.002 . . . . . . . 6 ILE CG2 . 50190 1 22 . 1 . 1 6 6 ILE CD1 C 13 10.112 0.071 . . . . . . . 6 ILE CD1 . 50190 1 23 . 1 . 1 7 7 LEU H H 1 8.004 0.005 . . . . . . . 7 LEU H . 50190 1 24 . 1 . 1 7 7 LEU HA H 1 4.209 . . . . . . . . 7 LEU HA . 50190 1 25 . 1 . 1 7 7 LEU HB2 H 1 1.537 . . . . . . . . 7 LEU HB2 . 50190 1 26 . 1 . 1 7 7 LEU HD11 H 1 0.800 0.001 . . . . . . . 7 LEU QD1 . 50190 1 27 . 1 . 1 7 7 LEU HD12 H 1 0.800 0.001 . . . . . . . 7 LEU QD1 . 50190 1 28 . 1 . 1 7 7 LEU HD13 H 1 0.800 0.001 . . . . . . . 7 LEU QD1 . 50190 1 29 . 1 . 1 7 7 LEU CA C 13 52.621 0.038 . . . . . . . 7 LEU CA . 50190 1 30 . 1 . 1 7 7 LEU CB C 13 39.658 0.116 . . . . . . . 7 LEU CB . 50190 1 31 . 1 . 1 7 7 LEU CD1 C 13 21.126 0.023 . . . . . . . 7 LEU CD1 . 50190 1 32 . 1 . 1 7 7 LEU CD2 C 13 24.322 . . . . . . . . 7 LEU CD2 . 50190 1 33 . 1 . 1 7 7 LEU N N 15 126.437 0.188 . . . . . . . 7 LEU N . 50190 1 34 . 1 . 1 8 8 LYS H H 1 7.696 0.003 . . . . . . . 8 LYS H . 50190 1 35 . 1 . 1 8 8 LYS HA H 1 4.265 . . . . . . . . 8 LYS HA . 50190 1 36 . 1 . 1 8 8 LYS HB2 H 1 1.668 . . . . . . . . 8 LYS QB . 50190 1 37 . 1 . 1 8 8 LYS HB3 H 1 1.668 . . . . . . . . 8 LYS QB . 50190 1 38 . 1 . 1 8 8 LYS CA C 13 53.400 . . . . . . . . 8 LYS CA . 50190 1 39 . 1 . 1 8 8 LYS CB C 13 30.480 . . . . . . . . 8 LYS CB . 50190 1 40 . 1 . 1 8 8 LYS N N 15 128.584 0.089 . . . . . . . 8 LYS N . 50190 1 41 . 1 . 1 9 9 LYS H H 1 8.103 0.010 . . . . . . . 9 LYS H . 50190 1 42 . 1 . 1 9 9 LYS HA H 1 4.349 . . . . . . . . 9 LYS HA . 50190 1 43 . 1 . 1 9 9 LYS CA C 13 53.649 . . . . . . . . 9 LYS CA . 50190 1 44 . 1 . 1 9 9 LYS CB C 13 30.525 . . . . . . . . 9 LYS CB . 50190 1 45 . 1 . 1 9 9 LYS N N 15 125.198 0.186 . . . . . . . 9 LYS N . 50190 1 46 . 1 . 1 10 10 LYS H H 1 7.831 0.001 . . . . . . . 10 LYS H . 50190 1 47 . 1 . 1 10 10 LYS CA C 13 55.168 . . . . . . . . 10 LYS CA . 50190 1 48 . 1 . 1 10 10 LYS CB C 13 31.274 . . . . . . . . 10 LYS CB . 50190 1 49 . 1 . 1 10 10 LYS N N 15 128.715 . . . . . . . . 10 LYS N . 50190 1 50 . 1 . 1 11 11 LYS HA H 1 4.220 . . . . . . . . 11 LYS HA . 50190 1 51 . 1 . 1 11 11 LYS HB2 H 1 1.679 . . . . . . . . 11 LYS HB2 . 50190 1 52 . 1 . 1 11 11 LYS HB3 H 1 1.679 . . . . . . . . 11 LYS HB3 . 50190 1 53 . 1 . 1 11 11 LYS CA C 13 53.029 . . . . . . . . 11 LYS CA . 50190 1 54 . 1 . 1 11 11 LYS CB C 13 28.930 . . . . . . . . 11 LYS CB . 50190 1 55 . 1 . 1 12 12 ILE H H 1 8.128 0.008 . . . . . . . 12 ILE H . 50190 1 56 . 1 . 1 12 12 ILE HA H 1 4.611 . . . . . . . . 12 ILE HA . 50190 1 57 . 1 . 1 12 12 ILE HG12 H 1 0.759 0.002 . . . . . . . 12 ILE HG12 . 50190 1 58 . 1 . 1 12 12 ILE HG21 H 1 0.632 0.002 . . . . . . . 12 ILE QG2 . 50190 1 59 . 1 . 1 12 12 ILE HG22 H 1 0.632 0.002 . . . . . . . 12 ILE QG2 . 50190 1 60 . 1 . 1 12 12 ILE HG23 H 1 0.632 0.002 . . . . . . . 12 ILE QG2 . 50190 1 61 . 1 . 1 12 12 ILE HD11 H 1 0.638 0.021 . . . . . . . 12 ILE QD1 . 50190 1 62 . 1 . 1 12 12 ILE HD12 H 1 0.638 0.021 . . . . . . . 12 ILE QD1 . 50190 1 63 . 1 . 1 12 12 ILE HD13 H 1 0.638 0.021 . . . . . . . 12 ILE QD1 . 50190 1 64 . 1 . 1 12 12 ILE CA C 13 58.610 0.089 . . . . . . . 12 ILE CA . 50190 1 65 . 1 . 1 12 12 ILE CB C 13 36.000 0.088 . . . . . . . 12 ILE CB . 50190 1 66 . 1 . 1 12 12 ILE CG1 C 13 24.421 0.038 . . . . . . . 12 ILE CG1 . 50190 1 67 . 1 . 1 12 12 ILE CG2 C 13 14.710 0.040 . . . . . . . 12 ILE CG2 . 50190 1 68 . 1 . 1 12 12 ILE CD1 C 13 10.187 0.055 . . . . . . . 12 ILE CD1 . 50190 1 69 . 1 . 1 12 12 ILE N N 15 123.226 0.068 . . . . . . . 12 ILE N . 50190 1 70 . 1 . 1 13 13 PRO HA H 1 4.337 0.001 . . . . . . . 13 PRO HA . 50190 1 71 . 1 . 1 13 13 PRO HB2 H 1 1.851 . . . . . . . . 13 PRO HB2 . 50190 1 72 . 1 . 1 13 13 PRO HD2 H 1 3.766 0.001 . . . . . . . 13 PRO HD2 . 50190 1 73 . 1 . 1 13 13 PRO CA C 13 60.466 0.018 . . . . . . . 13 PRO CA . 50190 1 74 . 1 . 1 13 13 PRO CB C 13 29.298 0.024 . . . . . . . 13 PRO CB . 50190 1 75 . 1 . 1 13 13 PRO CG C 13 24.497 0.032 . . . . . . . 13 PRO CG . 50190 1 76 . 1 . 1 13 13 PRO CD C 13 48.140 0.069 . . . . . . . 13 PRO CD . 50190 1 77 . 1 . 1 14 14 LYS HB2 H 1 1.723 . . . . . . . . 14 LYS HB2 . 50190 1 78 . 1 . 1 14 14 LYS CA C 13 53.590 . . . . . . . . 14 LYS CA . 50190 1 79 . 1 . 1 14 14 LYS CB C 13 30.513 . . . . . . . . 14 LYS CB . 50190 1 80 . 1 . 1 15 15 ASN H H 1 7.879 0.004 . . . . . . . 15 ASN H . 50190 1 81 . 1 . 1 15 15 ASN CA C 13 52.173 . . . . . . . . 15 ASN CA . 50190 1 82 . 1 . 1 15 15 ASN CB C 13 37.851 . . . . . . . . 15 ASN CB . 50190 1 83 . 1 . 1 15 15 ASN N N 15 126.090 0.037 . . . . . . . 15 ASN N . 50190 1 84 . 1 . 1 16 16 ILE HA H 1 4.514 . . . . . . . . 16 ILE HA . 50190 1 85 . 1 . 1 16 16 ILE CA C 13 55.387 . . . . . . . . 16 ILE CA . 50190 1 86 . 1 . 1 16 16 ILE CB C 13 36.887 . . . . . . . . 16 ILE CB . 50190 1 87 . 1 . 1 17 17 PHE H H 1 7.799 0.016 . . . . . . . 17 PHE H . 50190 1 88 . 1 . 1 17 17 PHE HA H 1 4.014 . . . . . . . . 17 PHE HA . 50190 1 89 . 1 . 1 17 17 PHE HB2 H 1 2.866 . . . . . . . . 17 PHE HB2 . 50190 1 90 . 1 . 1 17 17 PHE HB3 H 1 3.013 . . . . . . . . 17 PHE HB3 . 50190 1 91 . 1 . 1 17 17 PHE CA C 13 58.623 . . . . . . . . 17 PHE CA . 50190 1 92 . 1 . 1 17 17 PHE CB C 13 39.702 . . . . . . . . 17 PHE CB . 50190 1 93 . 1 . 1 17 17 PHE N N 15 122.938 0.128 . . . . . . . 17 PHE N . 50190 1 94 . 1 . 1 18 18 ARG H H 1 8.041 0.018 . . . . . . . 18 ARG H . 50190 1 95 . 1 . 1 18 18 ARG HA H 1 4.031 . . . . . . . . 18 ARG HA . 50190 1 96 . 1 . 1 18 18 ARG HG2 H 1 1.692 . . . . . . . . 18 ARG HG2 . 50190 1 97 . 1 . 1 18 18 ARG N N 15 123.092 0.151 . . . . . . . 18 ARG N . 50190 1 98 . 1 . 1 19 19 ILE HA H 1 4.361 0.002 . . . . . . . 19 ILE HA . 50190 1 99 . 1 . 1 19 19 ILE HG21 H 1 0.852 0.002 . . . . . . . 19 ILE QG2 . 50190 1 100 . 1 . 1 19 19 ILE HG22 H 1 0.852 0.002 . . . . . . . 19 ILE QG2 . 50190 1 101 . 1 . 1 19 19 ILE HG23 H 1 0.852 0.002 . . . . . . . 19 ILE QG2 . 50190 1 102 . 1 . 1 19 19 ILE CA C 13 55.850 0.012 . . . . . . . 19 ILE CA . 50190 1 103 . 1 . 1 19 19 ILE CB C 13 35.652 0.073 . . . . . . . 19 ILE CB . 50190 1 104 . 1 . 1 19 19 ILE CG1 C 13 24.146 0.023 . . . . . . . 19 ILE CG1 . 50190 1 105 . 1 . 1 19 19 ILE CG2 C 13 14.495 0.038 . . . . . . . 19 ILE CG2 . 50190 1 106 . 1 . 1 19 19 ILE CD1 C 13 9.951 0.027 . . . . . . . 19 ILE CD1 . 50190 1 107 . 1 . 1 20 20 GLY H H 1 7.884 0.005 . . . . . . . 20 GLY H . 50190 1 108 . 1 . 1 20 20 GLY HA2 H 1 3.805 . . . . . . . . 20 GLY QA . 50190 1 109 . 1 . 1 20 20 GLY HA3 H 1 3.805 . . . . . . . . 20 GLY QA . 50190 1 110 . 1 . 1 20 20 GLY CA C 13 43.649 . . . . . . . . 20 GLY CA . 50190 1 111 . 1 . 1 20 20 GLY N N 15 116.333 0.022 . . . . . . . 20 GLY N . 50190 1 112 . 1 . 1 21 21 ASN H H 1 7.942 0.023 . . . . . . . 21 ASN H . 50190 1 113 . 1 . 1 21 21 ASN HA H 1 4.360 0.006 . . . . . . . 21 ASN HA . 50190 1 114 . 1 . 1 21 21 ASN HB2 H 1 3.076 . . . . . . . . 21 ASN HB2 . 50190 1 115 . 1 . 1 21 21 ASN HB3 H 1 2.748 . . . . . . . . 21 ASN HB3 . 50190 1 116 . 1 . 1 21 21 ASN CA C 13 56.750 0.094 . . . . . . . 21 ASN CA . 50190 1 117 . 1 . 1 21 21 ASN CB C 13 34.857 0.011 . . . . . . . 21 ASN CB . 50190 1 118 . 1 . 1 21 21 ASN N N 15 120.731 0.081 . . . . . . . 21 ASN N . 50190 1 119 . 1 . 1 22 22 LYS H H 1 6.972 0.012 . . . . . . . 22 LYS H . 50190 1 120 . 1 . 1 22 22 LYS CA C 13 54.220 . . . . . . . . 22 LYS CA . 50190 1 121 . 1 . 1 22 22 LYS CB C 13 30.443 . . . . . . . . 22 LYS CB . 50190 1 122 . 1 . 1 22 22 LYS N N 15 116.638 0.029 . . . . . . . 22 LYS N . 50190 1 123 . 1 . 1 23 23 GLU H H 1 8.313 0.022 . . . . . . . 23 GLU H . 50190 1 124 . 1 . 1 23 23 GLU HA H 1 4.200 . . . . . . . . 23 GLU HA . 50190 1 125 . 1 . 1 23 23 GLU HB2 H 1 1.965 . . . . . . . . 23 GLU HB2 . 50190 1 126 . 1 . 1 23 23 GLU HB3 H 1 1.865 . . . . . . . . 23 GLU HB3 . 50190 1 127 . 1 . 1 23 23 GLU CA C 13 54.151 0.024 . . . . . . . 23 GLU CA . 50190 1 128 . 1 . 1 23 23 GLU CB C 13 27.329 0.017 . . . . . . . 23 GLU CB . 50190 1 129 . 1 . 1 23 23 GLU N N 15 121.593 0.051 . . . . . . . 23 GLU N . 50190 1 130 . 1 . 1 24 24 MET H H 1 8.118 0.012 . . . . . . . 24 MET H . 50190 1 131 . 1 . 1 24 24 MET CA C 13 52.512 . . . . . . . . 24 MET CA . 50190 1 132 . 1 . 1 24 24 MET CB C 13 30.611 . . . . . . . . 24 MET CB . 50190 1 133 . 1 . 1 24 24 MET N N 15 121.574 0.105 . . . . . . . 24 MET N . 50190 1 134 . 1 . 1 25 25 SER HA H 1 4.433 0.004 . . . . . . . 25 SER HA . 50190 1 135 . 1 . 1 25 25 SER HB2 H 1 3.931 0.005 . . . . . . . 25 SER HB2 . 50190 1 136 . 1 . 1 25 25 SER HB3 H 1 3.828 . . . . . . . . 25 SER HB3 . 50190 1 137 . 1 . 1 25 25 SER CA C 13 56.021 0.058 . . . . . . . 25 SER CA . 50190 1 138 . 1 . 1 25 25 SER CB C 13 61.604 0.059 . . . . . . . 25 SER CB . 50190 1 139 . 1 . 1 26 26 TYR N N 15 120.566 0.028 . . . . . . . 26 TYR N . 50190 1 140 . 1 . 1 28 28 ASP H H 1 8.159 . . . . . . . . 28 ASP H . 50190 1 141 . 1 . 1 28 28 ASP HA H 1 4.343 0.001 . . . . . . . 28 ASP HA . 50190 1 142 . 1 . 1 28 28 ASP HB2 H 1 2.600 . . . . . . . . 28 ASP HB2 . 50190 1 143 . 1 . 1 28 28 ASP CA C 13 54.844 0.047 . . . . . . . 28 ASP CA . 50190 1 144 . 1 . 1 28 28 ASP CB C 13 37.669 . . . . . . . . 28 ASP CB . 50190 1 145 . 1 . 1 28 28 ASP N N 15 121.795 . . . . . . . . 28 ASP N . 50190 1 146 . 1 . 1 29 29 ASP H H 1 7.785 0.001 . . . . . . . 29 ASP H . 50190 1 147 . 1 . 1 29 29 ASP HA H 1 4.212 . . . . . . . . 29 ASP HA . 50190 1 148 . 1 . 1 29 29 ASP HB2 H 1 2.449 . . . . . . . . 29 ASP HB2 . 50190 1 149 . 1 . 1 29 29 ASP CA C 13 54.567 0.007 . . . . . . . 29 ASP CA . 50190 1 150 . 1 . 1 29 29 ASP CB C 13 37.690 0.034 . . . . . . . 29 ASP CB . 50190 1 151 . 1 . 1 29 29 ASP N N 15 122.010 0.161 . . . . . . . 29 ASP N . 50190 1 152 . 1 . 1 30 30 LEU H H 1 8.221 0.002 . . . . . . . 30 LEU H . 50190 1 153 . 1 . 1 30 30 LEU HA H 1 3.873 0.002 . . . . . . . 30 LEU HA . 50190 1 154 . 1 . 1 30 30 LEU HB2 H 1 1.621 . . . . . . . . 30 LEU HB2 . 50190 1 155 . 1 . 1 30 30 LEU CA C 13 55.706 0.046 . . . . . . . 30 LEU CA . 50190 1 156 . 1 . 1 30 30 LEU CB C 13 39.123 0.087 . . . . . . . 30 LEU CB . 50190 1 157 . 1 . 1 30 30 LEU CD1 C 13 22.915 . . . . . . . . 30 LEU CD1 . 50190 1 158 . 1 . 1 30 30 LEU CD2 C 13 20.797 . . . . . . . . 30 LEU CD2 . 50190 1 159 . 1 . 1 30 30 LEU N N 15 122.363 0.139 . . . . . . . 30 LEU N . 50190 1 160 . 1 . 1 31 31 ASN H H 1 8.081 0.024 . . . . . . . 31 ASN H . 50190 1 161 . 1 . 1 31 31 ASN HB2 H 1 2.785 . . . . . . . . 31 ASN QB . 50190 1 162 . 1 . 1 31 31 ASN HB3 H 1 2.785 . . . . . . . . 31 ASN QB . 50190 1 163 . 1 . 1 31 31 ASN CA C 13 55.598 . . . . . . . . 31 ASN CA . 50190 1 164 . 1 . 1 31 31 ASN CB C 13 37.619 . . . . . . . . 31 ASN CB . 50190 1 165 . 1 . 1 31 31 ASN N N 15 116.978 0.069 . . . . . . . 31 ASN N . 50190 1 166 . 1 . 1 32 32 SER H H 1 8.163 0.006 . . . . . . . 32 SER H . 50190 1 167 . 1 . 1 32 32 SER HA H 1 4.526 . . . . . . . . 32 SER HA . 50190 1 168 . 1 . 1 32 32 SER HB2 H 1 4.037 . . . . . . . . 32 SER HB2 . 50190 1 169 . 1 . 1 32 32 SER CA C 13 56.990 . . . . . . . . 32 SER CA . 50190 1 170 . 1 . 1 32 32 SER CB C 13 61.214 . . . . . . . . 32 SER CB . 50190 1 171 . 1 . 1 32 32 SER N N 15 122.108 0.047 . . . . . . . 32 SER N . 50190 1 172 . 1 . 1 33 33 LEU H H 1 8.010 0.001 . . . . . . . 33 LEU H . 50190 1 173 . 1 . 1 33 33 LEU HB2 H 1 1.514 0.003 . . . . . . . 33 LEU HB2 . 50190 1 174 . 1 . 1 33 33 LEU HB3 H 1 1.620 . . . . . . . . 33 LEU HB3 . 50190 1 175 . 1 . 1 33 33 LEU CA C 13 55.568 0.044 . . . . . . . 33 LEU CA . 50190 1 176 . 1 . 1 33 33 LEU CB C 13 39.456 0.071 . . . . . . . 33 LEU CB . 50190 1 177 . 1 . 1 33 33 LEU CG C 13 24.254 0.046 . . . . . . . 33 LEU CG . 50190 1 178 . 1 . 1 33 33 LEU CD1 C 13 21.964 0.037 . . . . . . . 33 LEU CD1 . 50190 1 179 . 1 . 1 33 33 LEU CD2 C 13 21.215 0.080 . . . . . . . 33 LEU CD2 . 50190 1 180 . 1 . 1 33 33 LEU N N 15 124.453 0.044 . . . . . . . 33 LEU N . 50190 1 181 . 1 . 1 34 34 ILE H H 1 7.920 0.003 . . . . . . . 34 ILE H . 50190 1 182 . 1 . 1 34 34 ILE HA H 1 4.124 0.002 . . . . . . . 34 ILE HA . 50190 1 183 . 1 . 1 34 34 ILE HG12 H 1 0.708 . . . . . . . . 34 ILE HG12 . 50190 1 184 . 1 . 1 34 34 ILE HG21 H 1 0.933 0.004 . . . . . . . 34 ILE QG2 . 50190 1 185 . 1 . 1 34 34 ILE HG22 H 1 0.933 0.004 . . . . . . . 34 ILE QG2 . 50190 1 186 . 1 . 1 34 34 ILE HG23 H 1 0.933 0.004 . . . . . . . 34 ILE QG2 . 50190 1 187 . 1 . 1 34 34 ILE CA C 13 61.374 0.034 . . . . . . . 34 ILE CA . 50190 1 188 . 1 . 1 34 34 ILE CB C 13 36.027 0.088 . . . . . . . 34 ILE CB . 50190 1 189 . 1 . 1 34 34 ILE CG1 C 13 26.787 0.063 . . . . . . . 34 ILE CG1 . 50190 1 190 . 1 . 1 34 34 ILE CG2 C 13 14.787 0.054 . . . . . . . 34 ILE CG2 . 50190 1 191 . 1 . 1 34 34 ILE CD1 C 13 10.908 0.031 . . . . . . . 34 ILE CD1 . 50190 1 192 . 1 . 1 34 34 ILE N N 15 120.315 0.066 . . . . . . . 34 ILE N . 50190 1 193 . 1 . 1 35 35 GLN H H 1 8.525 0.020 . . . . . . . 35 GLN H . 50190 1 194 . 1 . 1 35 35 GLN HA H 1 3.984 0.019 . . . . . . . 35 GLN HA . 50190 1 195 . 1 . 1 35 35 GLN HB2 H 1 2.080 . . . . . . . . 35 GLN HB2 . 50190 1 196 . 1 . 1 35 35 GLN HB3 H 1 2.080 . . . . . . . . 35 GLN HB3 . 50190 1 197 . 1 . 1 35 35 GLN CA C 13 56.423 0.036 . . . . . . . 35 GLN CA . 50190 1 198 . 1 . 1 35 35 GLN CB C 13 25.657 0.016 . . . . . . . 35 GLN CB . 50190 1 199 . 1 . 1 35 35 GLN N N 15 121.428 0.197 . . . . . . . 35 GLN N . 50190 1 200 . 1 . 1 36 36 SER H H 1 7.779 0.015 . . . . . . . 36 SER H . 50190 1 201 . 1 . 1 36 36 SER HA H 1 4.221 0.007 . . . . . . . 36 SER HA . 50190 1 202 . 1 . 1 36 36 SER HB2 H 1 3.756 . . . . . . . . 36 SER QB . 50190 1 203 . 1 . 1 36 36 SER HB3 H 1 3.756 . . . . . . . . 36 SER QB . 50190 1 204 . 1 . 1 36 36 SER CA C 13 57.060 0.035 . . . . . . . 36 SER CA . 50190 1 205 . 1 . 1 36 36 SER CB C 13 61.495 0.031 . . . . . . . 36 SER CB . 50190 1 206 . 1 . 1 36 36 SER N N 15 112.906 0.048 . . . . . . . 36 SER N . 50190 1 207 . 1 . 1 37 37 GLN H H 1 7.500 0.009 . . . . . . . 37 GLN H . 50190 1 208 . 1 . 1 37 37 GLN HA H 1 3.501 . . . . . . . . 37 GLN HA . 50190 1 209 . 1 . 1 37 37 GLN HB2 H 1 2.179 . . . . . . . . 37 GLN HB2 . 50190 1 210 . 1 . 1 37 37 GLN HB3 H 1 1.757 . . . . . . . . 37 GLN HB3 . 50190 1 211 . 1 . 1 37 37 GLN CA C 13 55.457 0.063 . . . . . . . 37 GLN CA . 50190 1 212 . 1 . 1 37 37 GLN CB C 13 23.748 0.025 . . . . . . . 37 GLN CB . 50190 1 213 . 1 . 1 37 37 GLN N N 15 112.871 0.085 . . . . . . . 37 GLN N . 50190 1 214 . 1 . 1 38 38 TYR H H 1 7.764 0.007 . . . . . . . 38 TYR H . 50190 1 215 . 1 . 1 38 38 TYR HA H 1 3.316 0.004 . . . . . . . 38 TYR HA . 50190 1 216 . 1 . 1 38 38 TYR HB2 H 1 2.456 . . . . . . . . 38 TYR HB2 . 50190 1 217 . 1 . 1 38 38 TYR HB3 H 1 2.925 . . . . . . . . 38 TYR HB3 . 50190 1 218 . 1 . 1 38 38 TYR CA C 13 57.664 0.027 . . . . . . . 38 TYR CA . 50190 1 219 . 1 . 1 38 38 TYR CB C 13 36.245 0.033 . . . . . . . 38 TYR CB . 50190 1 220 . 1 . 1 38 38 TYR N N 15 120.207 0.086 . . . . . . . 38 TYR N . 50190 1 221 . 1 . 1 39 39 VAL H H 1 6.823 0.003 . . . . . . . 39 VAL H . 50190 1 222 . 1 . 1 39 39 VAL HA H 1 4.048 0.005 . . . . . . . 39 VAL HA . 50190 1 223 . 1 . 1 39 39 VAL HB H 1 1.777 . . . . . . . . 39 VAL HB . 50190 1 224 . 1 . 1 39 39 VAL HG11 H 1 0.366 0.002 . . . . . . . 39 VAL QG1 . 50190 1 225 . 1 . 1 39 39 VAL HG12 H 1 0.366 0.002 . . . . . . . 39 VAL QG1 . 50190 1 226 . 1 . 1 39 39 VAL HG13 H 1 0.366 0.002 . . . . . . . 39 VAL QG1 . 50190 1 227 . 1 . 1 39 39 VAL HG21 H 1 0.613 0.003 . . . . . . . 39 VAL QG2 . 50190 1 228 . 1 . 1 39 39 VAL HG22 H 1 0.613 0.003 . . . . . . . 39 VAL QG2 . 50190 1 229 . 1 . 1 39 39 VAL HG23 H 1 0.613 0.003 . . . . . . . 39 VAL QG2 . 50190 1 230 . 1 . 1 39 39 VAL CA C 13 55.931 0.067 . . . . . . . 39 VAL CA . 50190 1 231 . 1 . 1 39 39 VAL CB C 13 32.466 0.098 . . . . . . . 39 VAL CB . 50190 1 232 . 1 . 1 39 39 VAL CG1 C 13 16.743 0.038 . . . . . . . 39 VAL CG1 . 50190 1 233 . 1 . 1 39 39 VAL CG2 C 13 19.880 0.045 . . . . . . . 39 VAL CG2 . 50190 1 234 . 1 . 1 39 39 VAL N N 15 103.256 0.058 . . . . . . . 39 VAL N . 50190 1 235 . 1 . 1 40 40 SER H H 1 8.950 0.013 . . . . . . . 40 SER H . 50190 1 236 . 1 . 1 40 40 SER HA H 1 4.715 0.007 . . . . . . . 40 SER HA . 50190 1 237 . 1 . 1 40 40 SER HB2 H 1 3.475 . . . . . . . . 40 SER HB2 . 50190 1 238 . 1 . 1 40 40 SER HB3 H 1 3.328 . . . . . . . . 40 SER HB3 . 50190 1 239 . 1 . 1 40 40 SER CA C 13 57.902 0.041 . . . . . . . 40 SER CA . 50190 1 240 . 1 . 1 40 40 SER CB C 13 61.890 0.001 . . . . . . . 40 SER CB . 50190 1 241 . 1 . 1 40 40 SER N N 15 114.965 0.048 . . . . . . . 40 SER N . 50190 1 242 . 1 . 1 41 41 TYR H H 1 7.547 0.016 . . . . . . . 41 TYR H . 50190 1 243 . 1 . 1 41 41 TYR HA H 1 5.718 0.003 . . . . . . . 41 TYR HA . 50190 1 244 . 1 . 1 41 41 TYR HB2 H 1 2.812 . . . . . . . . 41 TYR HB2 . 50190 1 245 . 1 . 1 41 41 TYR HB3 H 1 1.983 . . . . . . . . 41 TYR HB3 . 50190 1 246 . 1 . 1 41 41 TYR HD1 H 1 5.972 . . . . . . . . 41 TYR QD . 50190 1 247 . 1 . 1 41 41 TYR HD2 H 1 5.972 . . . . . . . . 41 TYR QD . 50190 1 248 . 1 . 1 41 41 TYR HE1 H 1 6.170 . . . . . . . . 41 TYR QE . 50190 1 249 . 1 . 1 41 41 TYR HE2 H 1 6.170 . . . . . . . . 41 TYR QE . 50190 1 250 . 1 . 1 41 41 TYR CA C 13 50.104 0.033 . . . . . . . 41 TYR CA . 50190 1 251 . 1 . 1 41 41 TYR CB C 13 38.222 0.074 . . . . . . . 41 TYR CB . 50190 1 252 . 1 . 1 41 41 TYR N N 15 119.803 0.082 . . . . . . . 41 TYR N . 50190 1 253 . 1 . 1 42 42 VAL H H 1 8.886 0.014 . . . . . . . 42 VAL H . 50190 1 254 . 1 . 1 42 42 VAL HA H 1 5.224 0.005 . . . . . . . 42 VAL HA . 50190 1 255 . 1 . 1 42 42 VAL HB H 1 2.049 . . . . . . . . 42 VAL HB . 50190 1 256 . 1 . 1 42 42 VAL CA C 13 58.616 0.033 . . . . . . . 42 VAL CA . 50190 1 257 . 1 . 1 42 42 VAL CB C 13 33.308 0.087 . . . . . . . 42 VAL CB . 50190 1 258 . 1 . 1 42 42 VAL CG1 C 13 18.220 . . . . . . . . 42 VAL CG1 . 50190 1 259 . 1 . 1 42 42 VAL CG2 C 13 19.534 . . . . . . . . 42 VAL CG2 . 50190 1 260 . 1 . 1 42 42 VAL N N 15 121.231 0.096 . . . . . . . 42 VAL N . 50190 1 261 . 1 . 1 43 43 VAL H H 1 9.880 0.010 . . . . . . . 43 VAL H . 50190 1 262 . 1 . 1 43 43 VAL HA H 1 4.961 0.004 . . . . . . . 43 VAL HA . 50190 1 263 . 1 . 1 43 43 VAL HB H 1 2.062 . . . . . . . . 43 VAL HB . 50190 1 264 . 1 . 1 43 43 VAL HG11 H 1 1.112 . . . . . . . . 43 VAL QG1 . 50190 1 265 . 1 . 1 43 43 VAL HG12 H 1 1.112 . . . . . . . . 43 VAL QG1 . 50190 1 266 . 1 . 1 43 43 VAL HG13 H 1 1.112 . . . . . . . . 43 VAL QG1 . 50190 1 267 . 1 . 1 43 43 VAL CA C 13 57.610 0.056 . . . . . . . 43 VAL CA . 50190 1 268 . 1 . 1 43 43 VAL CB C 13 33.595 0.110 . . . . . . . 43 VAL CB . 50190 1 269 . 1 . 1 43 43 VAL CG1 C 13 20.205 . . . . . . . . 43 VAL CG1 . 50190 1 270 . 1 . 1 43 43 VAL CG2 C 13 20.205 . . . . . . . . 43 VAL CG2 . 50190 1 271 . 1 . 1 43 43 VAL N N 15 127.658 0.110 . . . . . . . 43 VAL N . 50190 1 272 . 1 . 1 44 44 ILE H H 1 9.231 0.014 . . . . . . . 44 ILE H . 50190 1 273 . 1 . 1 44 44 ILE HA H 1 4.655 0.006 . . . . . . . 44 ILE HA . 50190 1 274 . 1 . 1 44 44 ILE HB H 1 1.891 . . . . . . . . 44 ILE HB . 50190 1 275 . 1 . 1 44 44 ILE HG12 H 1 0.055 0.001 . . . . . . . 44 ILE HG12 . 50190 1 276 . 1 . 1 44 44 ILE HG21 H 1 0.380 0.002 . . . . . . . 44 ILE QG2 . 50190 1 277 . 1 . 1 44 44 ILE HG22 H 1 0.380 0.002 . . . . . . . 44 ILE QG2 . 50190 1 278 . 1 . 1 44 44 ILE HG23 H 1 0.380 0.002 . . . . . . . 44 ILE QG2 . 50190 1 279 . 1 . 1 44 44 ILE HD11 H 1 0.435 0.001 . . . . . . . 44 ILE QD1 . 50190 1 280 . 1 . 1 44 44 ILE HD12 H 1 0.435 0.001 . . . . . . . 44 ILE QD1 . 50190 1 281 . 1 . 1 44 44 ILE HD13 H 1 0.435 0.001 . . . . . . . 44 ILE QD1 . 50190 1 282 . 1 . 1 44 44 ILE CA C 13 57.747 0.076 . . . . . . . 44 ILE CA . 50190 1 283 . 1 . 1 44 44 ILE CB C 13 36.699 0.117 . . . . . . . 44 ILE CB . 50190 1 284 . 1 . 1 44 44 ILE CG1 C 13 23.739 0.061 . . . . . . . 44 ILE CG1 . 50190 1 285 . 1 . 1 44 44 ILE CG2 C 13 15.143 0.064 . . . . . . . 44 ILE CG2 . 50190 1 286 . 1 . 1 44 44 ILE CD1 C 13 11.396 0.025 . . . . . . . 44 ILE CD1 . 50190 1 287 . 1 . 1 44 44 ILE N N 15 124.971 0.081 . . . . . . . 44 ILE N . 50190 1 288 . 1 . 1 45 45 LEU H H 1 9.748 0.006 . . . . . . . 45 LEU H . 50190 1 289 . 1 . 1 45 45 LEU HA H 1 5.192 0.005 . . . . . . . 45 LEU HA . 50190 1 290 . 1 . 1 45 45 LEU HB2 H 1 1.786 . . . . . . . . 45 LEU HB2 . 50190 1 291 . 1 . 1 45 45 LEU HB3 H 1 1.277 . . . . . . . . 45 LEU HB3 . 50190 1 292 . 1 . 1 45 45 LEU HD11 H 1 0.536 . . . . . . . . 45 LEU QD1 . 50190 1 293 . 1 . 1 45 45 LEU HD12 H 1 0.536 . . . . . . . . 45 LEU QD1 . 50190 1 294 . 1 . 1 45 45 LEU HD13 H 1 0.536 . . . . . . . . 45 LEU QD1 . 50190 1 295 . 1 . 1 45 45 LEU CA C 13 49.939 0.041 . . . . . . . 45 LEU CA . 50190 1 296 . 1 . 1 45 45 LEU CB C 13 41.413 0.172 . . . . . . . 45 LEU CB . 50190 1 297 . 1 . 1 45 45 LEU CD1 C 13 22.600 . . . . . . . . 45 LEU CD1 . 50190 1 298 . 1 . 1 45 45 LEU CD2 C 13 22.078 0.021 . . . . . . . 45 LEU CD2 . 50190 1 299 . 1 . 1 45 45 LEU N N 15 129.497 0.060 . . . . . . . 45 LEU N . 50190 1 300 . 1 . 1 46 46 ASP H H 1 8.873 0.017 . . . . . . . 46 ASP H . 50190 1 301 . 1 . 1 46 46 ASP HA H 1 3.671 . . . . . . . . 46 ASP HA . 50190 1 302 . 1 . 1 46 46 ASP HB2 H 1 2.271 . . . . . . . . 46 ASP HB2 . 50190 1 303 . 1 . 1 46 46 ASP HB3 H 1 2.600 . . . . . . . . 46 ASP HB3 . 50190 1 304 . 1 . 1 46 46 ASP CA C 13 49.219 . . . . . . . . 46 ASP CA . 50190 1 305 . 1 . 1 46 46 ASP CB C 13 37.615 . . . . . . . . 46 ASP CB . 50190 1 306 . 1 . 1 46 46 ASP N N 15 123.683 0.101 . . . . . . . 46 ASP N . 50190 1 307 . 1 . 1 47 47 PRO HA H 1 4.359 0.005 . . . . . . . 47 PRO HA . 50190 1 308 . 1 . 1 47 47 PRO HB2 H 1 1.896 . . . . . . . . 47 PRO HB2 . 50190 1 309 . 1 . 1 47 47 PRO HB3 H 1 2.423 . . . . . . . . 47 PRO HB3 . 50190 1 310 . 1 . 1 47 47 PRO CA C 13 62.626 0.054 . . . . . . . 47 PRO CA . 50190 1 311 . 1 . 1 47 47 PRO CB C 13 29.487 0.073 . . . . . . . 47 PRO CB . 50190 1 312 . 1 . 1 47 47 PRO CG C 13 24.951 . . . . . . . . 47 PRO CG . 50190 1 313 . 1 . 1 48 48 ASN H H 1 7.311 0.008 . . . . . . . 48 ASN H . 50190 1 314 . 1 . 1 48 48 ASN HA H 1 4.590 . . . . . . . . 48 ASN HA . 50190 1 315 . 1 . 1 48 48 ASN HB2 H 1 2.629 . . . . . . . . 48 ASN HB2 . 50190 1 316 . 1 . 1 48 48 ASN HB3 H 1 3.093 . . . . . . . . 48 ASN HB3 . 50190 1 317 . 1 . 1 48 48 ASN CA C 13 49.548 0.019 . . . . . . . 48 ASN CA . 50190 1 318 . 1 . 1 48 48 ASN CB C 13 34.933 0.081 . . . . . . . 48 ASN CB . 50190 1 319 . 1 . 1 48 48 ASN N N 15 112.014 0.070 . . . . . . . 48 ASN N . 50190 1 320 . 1 . 1 49 49 GLY H H 1 8.250 0.009 . . . . . . . 49 GLY H . 50190 1 321 . 1 . 1 49 49 GLY HA2 H 1 3.878 . . . . . . . . 49 GLY HA2 . 50190 1 322 . 1 . 1 49 49 GLY HA3 H 1 3.122 . . . . . . . . 49 GLY HA3 . 50190 1 323 . 1 . 1 49 49 GLY CA C 13 42.863 0.056 . . . . . . . 49 GLY CA . 50190 1 324 . 1 . 1 49 49 GLY N N 15 107.572 0.050 . . . . . . . 49 GLY N . 50190 1 325 . 1 . 1 50 50 ALA H H 1 7.991 0.012 . . . . . . . 50 ALA H . 50190 1 326 . 1 . 1 50 50 ALA HA H 1 4.264 0.003 . . . . . . . 50 ALA HA . 50190 1 327 . 1 . 1 50 50 ALA HB1 H 1 1.283 . . . . . . . . 50 ALA HB . 50190 1 328 . 1 . 1 50 50 ALA HB2 H 1 1.283 . . . . . . . . 50 ALA HB . 50190 1 329 . 1 . 1 50 50 ALA HB3 H 1 1.283 . . . . . . . . 50 ALA HB . 50190 1 330 . 1 . 1 50 50 ALA CA C 13 48.849 0.030 . . . . . . . 50 ALA CA . 50190 1 331 . 1 . 1 50 50 ALA CB C 13 16.361 0.062 . . . . . . . 50 ALA CB . 50190 1 332 . 1 . 1 50 50 ALA N N 15 124.497 0.078 . . . . . . . 50 ALA N . 50190 1 333 . 1 . 1 51 51 ILE H H 1 8.467 0.007 . . . . . . . 51 ILE H . 50190 1 334 . 1 . 1 51 51 ILE HA H 1 3.878 0.004 . . . . . . . 51 ILE HA . 50190 1 335 . 1 . 1 51 51 ILE HB H 1 1.820 . . . . . . . . 51 ILE HB . 50190 1 336 . 1 . 1 51 51 ILE HG21 H 1 0.669 0.001 . . . . . . . 51 ILE QG2 . 50190 1 337 . 1 . 1 51 51 ILE HG22 H 1 0.669 0.001 . . . . . . . 51 ILE QG2 . 50190 1 338 . 1 . 1 51 51 ILE HG23 H 1 0.669 0.001 . . . . . . . 51 ILE QG2 . 50190 1 339 . 1 . 1 51 51 ILE CA C 13 60.293 0.046 . . . . . . . 51 ILE CA . 50190 1 340 . 1 . 1 51 51 ILE CB C 13 34.496 0.046 . . . . . . . 51 ILE CB . 50190 1 341 . 1 . 1 51 51 ILE CG1 C 13 25.007 0.041 . . . . . . . 51 ILE CG1 . 50190 1 342 . 1 . 1 51 51 ILE CG2 C 13 14.421 0.027 . . . . . . . 51 ILE CG2 . 50190 1 343 . 1 . 1 51 51 ILE CD1 C 13 9.495 0.013 . . . . . . . 51 ILE CD1 . 50190 1 344 . 1 . 1 51 51 ILE N N 15 120.713 0.089 . . . . . . . 51 ILE N . 50190 1 345 . 1 . 1 52 52 TYR H H 1 9.509 0.012 . . . . . . . 52 TYR H . 50190 1 346 . 1 . 1 52 52 TYR HA H 1 4.614 . . . . . . . . 52 TYR HA . 50190 1 347 . 1 . 1 52 52 TYR HB2 H 1 3.135 . . . . . . . . 52 TYR HB2 . 50190 1 348 . 1 . 1 52 52 TYR HB3 H 1 2.840 . . . . . . . . 52 TYR HB3 . 50190 1 349 . 1 . 1 52 52 TYR CA C 13 56.637 0.004 . . . . . . . 52 TYR CA . 50190 1 350 . 1 . 1 52 52 TYR CB C 13 37.409 0.027 . . . . . . . 52 TYR CB . 50190 1 351 . 1 . 1 52 52 TYR N N 15 133.730 0.134 . . . . . . . 52 TYR N . 50190 1 352 . 1 . 1 53 53 TRP H H 1 7.852 0.004 . . . . . . . 53 TRP H . 50190 1 353 . 1 . 1 53 53 TRP HA H 1 4.437 0.004 . . . . . . . 53 TRP HA . 50190 1 354 . 1 . 1 53 53 TRP HB2 H 1 3.145 . . . . . . . . 53 TRP HB2 . 50190 1 355 . 1 . 1 53 53 TRP HB3 H 1 2.731 . . . . . . . . 53 TRP HB3 . 50190 1 356 . 1 . 1 53 53 TRP HD1 H 1 7.370 . . . . . . . . 53 TRP HD1 . 50190 1 357 . 1 . 1 53 53 TRP HE1 H 1 10.020 0.009 . . . . . . . 53 TRP HE1 . 50190 1 358 . 1 . 1 53 53 TRP HE3 H 1 7.289 . . . . . . . . 53 TRP HE3 . 50190 1 359 . 1 . 1 53 53 TRP CA C 13 55.794 0.033 . . . . . . . 53 TRP CA . 50190 1 360 . 1 . 1 53 53 TRP CB C 13 30.053 0.049 . . . . . . . 53 TRP CB . 50190 1 361 . 1 . 1 53 53 TRP N N 15 118.592 0.142 . . . . . . . 53 TRP N . 50190 1 362 . 1 . 1 53 53 TRP NE1 N 15 131.109 . . . . . . . . 53 TRP NE1 . 50190 1 363 . 1 . 1 54 54 THR H H 1 6.984 0.016 . . . . . . . 54 THR H . 50190 1 364 . 1 . 1 54 54 THR HA H 1 4.852 0.003 . . . . . . . 54 THR HA . 50190 1 365 . 1 . 1 54 54 THR HB H 1 4.083 . . . . . . . . 54 THR HB . 50190 1 366 . 1 . 1 54 54 THR HG21 H 1 0.761 . . . . . . . . 54 THR QG2 . 50190 1 367 . 1 . 1 54 54 THR HG22 H 1 0.761 . . . . . . . . 54 THR QG2 . 50190 1 368 . 1 . 1 54 54 THR HG23 H 1 0.761 . . . . . . . . 54 THR QG2 . 50190 1 369 . 1 . 1 54 54 THR CA C 13 56.240 0.068 . . . . . . . 54 THR CA . 50190 1 370 . 1 . 1 54 54 THR CB C 13 66.652 0.031 . . . . . . . 54 THR CB . 50190 1 371 . 1 . 1 54 54 THR CG2 C 13 15.119 0.034 . . . . . . . 54 THR CG2 . 50190 1 372 . 1 . 1 54 54 THR N N 15 120.955 0.076 . . . . . . . 54 THR N . 50190 1 373 . 1 . 1 55 55 ASN H H 1 7.753 0.003 . . . . . . . 55 ASN H . 50190 1 374 . 1 . 1 55 55 ASN HA H 1 4.521 . . . . . . . . 55 ASN HA . 50190 1 375 . 1 . 1 55 55 ASN HB2 H 1 4.084 0.017 . . . . . . . 55 ASN HB2 . 50190 1 376 . 1 . 1 55 55 ASN CA C 13 49.505 0.042 . . . . . . . 55 ASN CA . 50190 1 377 . 1 . 1 55 55 ASN CB C 13 35.798 0.056 . . . . . . . 55 ASN CB . 50190 1 378 . 1 . 1 55 55 ASN N N 15 122.398 0.023 . . . . . . . 55 ASN N . 50190 1 379 . 1 . 1 56 56 ASN H H 1 8.498 0.025 . . . . . . . 56 ASN H . 50190 1 380 . 1 . 1 56 56 ASN CA C 13 49.822 . . . . . . . . 56 ASN CA . 50190 1 381 . 1 . 1 56 56 ASN CB C 13 35.383 . . . . . . . . 56 ASN CB . 50190 1 382 . 1 . 1 56 56 ASN N N 15 119.793 0.115 . . . . . . . 56 ASN N . 50190 1 383 . 1 . 1 57 57 GLU HA H 1 3.927 0.002 . . . . . . . 57 GLU HA . 50190 1 384 . 1 . 1 57 57 GLU HB2 H 1 1.873 . . . . . . . . 57 GLU HB2 . 50190 1 385 . 1 . 1 57 57 GLU CA C 13 55.449 0.057 . . . . . . . 57 GLU CA . 50190 1 386 . 1 . 1 57 57 GLU CB C 13 26.505 0.061 . . . . . . . 57 GLU CB . 50190 1 387 . 1 . 1 57 57 GLU CG C 13 33.360 . . . . . . . . 57 GLU CG . 50190 1 388 . 1 . 1 58 58 ASN H H 1 7.762 0.007 . . . . . . . 58 ASN H . 50190 1 389 . 1 . 1 58 58 ASN HA H 1 4.528 0.001 . . . . . . . 58 ASN HA . 50190 1 390 . 1 . 1 58 58 ASN HB2 H 1 2.743 . . . . . . . . 58 ASN HB2 . 50190 1 391 . 1 . 1 58 58 ASN HB3 H 1 2.592 . . . . . . . . 58 ASN HB3 . 50190 1 392 . 1 . 1 58 58 ASN CA C 13 51.095 0.040 . . . . . . . 58 ASN CA . 50190 1 393 . 1 . 1 58 58 ASN CB C 13 36.184 . . . . . . . . 58 ASN CB . 50190 1 394 . 1 . 1 58 58 ASN N N 15 115.446 0.091 . . . . . . . 58 ASN N . 50190 1 395 . 1 . 1 59 59 TRP H H 1 7.111 0.004 . . . . . . . 59 TRP H . 50190 1 396 . 1 . 1 59 59 TRP HA H 1 4.567 0.001 . . . . . . . 59 TRP HA . 50190 1 397 . 1 . 1 59 59 TRP HB2 H 1 3.233 . . . . . . . . 59 TRP HB2 . 50190 1 398 . 1 . 1 59 59 TRP HB3 H 1 2.064 . . . . . . . . 59 TRP HB3 . 50190 1 399 . 1 . 1 59 59 TRP HD1 H 1 6.888 . . . . . . . . 59 TRP HD1 . 50190 1 400 . 1 . 1 59 59 TRP HE1 H 1 9.951 . . . . . . . . 59 TRP HE1 . 50190 1 401 . 1 . 1 59 59 TRP CA C 13 52.324 0.015 . . . . . . . 59 TRP CA . 50190 1 402 . 1 . 1 59 59 TRP CB C 13 24.882 . . . . . . . . 59 TRP CB . 50190 1 403 . 1 . 1 59 59 TRP N N 15 123.983 0.055 . . . . . . . 59 TRP N . 50190 1 404 . 1 . 1 59 59 TRP NE1 N 15 129.263 . . . . . . . . 59 TRP NE1 . 50190 1 405 . 1 . 1 60 60 GLN H H 1 8.296 0.007 . . . . . . . 60 GLN H . 50190 1 406 . 1 . 1 60 60 GLN HA H 1 4.035 0.001 . . . . . . . 60 GLN HA . 50190 1 407 . 1 . 1 60 60 GLN HB2 H 1 1.885 . . . . . . . . 60 GLN HB2 . 50190 1 408 . 1 . 1 60 60 GLN HB3 H 1 1.720 . . . . . . . . 60 GLN HB3 . 50190 1 409 . 1 . 1 60 60 GLN HG2 H 1 2.140 . . . . . . . . 60 GLN HG2 . 50190 1 410 . 1 . 1 60 60 GLN HG3 H 1 2.252 . . . . . . . . 60 GLN HG3 . 50190 1 411 . 1 . 1 60 60 GLN CA C 13 53.320 . . . . . . . . 60 GLN CA . 50190 1 412 . 1 . 1 60 60 GLN CB C 13 24.225 0.070 . . . . . . . 60 GLN CB . 50190 1 413 . 1 . 1 60 60 GLN N N 15 129.284 0.086 . . . . . . . 60 GLN N . 50190 1 414 . 1 . 1 61 61 VAL H H 1 7.407 0.005 . . . . . . . 61 VAL H . 50190 1 415 . 1 . 1 61 61 VAL HA H 1 3.360 . . . . . . . . 61 VAL HA . 50190 1 416 . 1 . 1 61 61 VAL HB H 1 1.191 . . . . . . . . 61 VAL HB . 50190 1 417 . 1 . 1 61 61 VAL HG11 H 1 -0.382 0.002 . . . . . . . 61 VAL QG1 . 50190 1 418 . 1 . 1 61 61 VAL HG12 H 1 -0.382 0.002 . . . . . . . 61 VAL QG1 . 50190 1 419 . 1 . 1 61 61 VAL HG13 H 1 -0.382 0.002 . . . . . . . 61 VAL QG1 . 50190 1 420 . 1 . 1 61 61 VAL HG21 H 1 0.047 0.003 . . . . . . . 61 VAL QG2 . 50190 1 421 . 1 . 1 61 61 VAL HG22 H 1 0.047 0.003 . . . . . . . 61 VAL QG2 . 50190 1 422 . 1 . 1 61 61 VAL HG23 H 1 0.047 0.003 . . . . . . . 61 VAL QG2 . 50190 1 423 . 1 . 1 61 61 VAL CA C 13 58.909 0.065 . . . . . . . 61 VAL CA . 50190 1 424 . 1 . 1 61 61 VAL CB C 13 30.671 0.056 . . . . . . . 61 VAL CB . 50190 1 425 . 1 . 1 61 61 VAL N N 15 123.671 0.086 . . . . . . . 61 VAL N . 50190 1 426 . 1 . 1 62 62 ASN HA H 1 4.736 . . . . . . . . 62 ASN HA . 50190 1 427 . 1 . 1 62 62 ASN HB2 H 1 3.008 . . . . . . . . 62 ASN HB2 . 50190 1 428 . 1 . 1 62 62 ASN HB3 H 1 2.544 . . . . . . . . 62 ASN HB3 . 50190 1 429 . 1 . 1 62 62 ASN CA C 13 48.548 0.018 . . . . . . . 62 ASN CA . 50190 1 430 . 1 . 1 62 62 ASN CB C 13 34.695 . . . . . . . . 62 ASN CB . 50190 1 431 . 1 . 1 63 63 GLY H H 1 8.668 0.013 . . . . . . . 63 GLY H . 50190 1 432 . 1 . 1 63 63 GLY HA2 H 1 4.332 . . . . . . . . 63 GLY HA2 . 50190 1 433 . 1 . 1 63 63 GLY HA3 H 1 3.183 . . . . . . . . 63 GLY HA3 . 50190 1 434 . 1 . 1 63 63 GLY CA C 13 46.106 0.011 . . . . . . . 63 GLY CA . 50190 1 435 . 1 . 1 63 63 GLY N N 15 112.486 0.108 . . . . . . . 63 GLY N . 50190 1 436 . 1 . 1 64 64 SER H H 1 8.250 0.007 . . . . . . . 64 SER H . 50190 1 437 . 1 . 1 64 64 SER HA H 1 3.902 . . . . . . . . 64 SER HA . 50190 1 438 . 1 . 1 64 64 SER CA C 13 59.227 0.010 . . . . . . . 64 SER CA . 50190 1 439 . 1 . 1 64 64 SER CB C 13 59.928 . . . . . . . . 64 SER CB . 50190 1 440 . 1 . 1 64 64 SER N N 15 115.346 0.054 . . . . . . . 64 SER N . 50190 1 441 . 1 . 1 65 65 GLU H H 1 7.324 0.005 . . . . . . . 65 GLU H . 50190 1 442 . 1 . 1 65 65 GLU HA H 1 3.881 . . . . . . . . 65 GLU HA . 50190 1 443 . 1 . 1 65 65 GLU HB2 H 1 2.030 . . . . . . . . 65 GLU HB2 . 50190 1 444 . 1 . 1 65 65 GLU HB3 H 1 1.910 . . . . . . . . 65 GLU HB3 . 50190 1 445 . 1 . 1 65 65 GLU HG2 H 1 2.175 . . . . . . . . 65 GLU QG . 50190 1 446 . 1 . 1 65 65 GLU HG3 H 1 2.175 . . . . . . . . 65 GLU QG . 50190 1 447 . 1 . 1 65 65 GLU CA C 13 55.887 0.013 . . . . . . . 65 GLU CA . 50190 1 448 . 1 . 1 65 65 GLU CB C 13 27.430 0.013 . . . . . . . 65 GLU CB . 50190 1 449 . 1 . 1 65 65 GLU N N 15 123.034 0.098 . . . . . . . 65 GLU N . 50190 1 450 . 1 . 1 66 66 VAL H H 1 8.023 0.014 . . . . . . . 66 VAL H . 50190 1 451 . 1 . 1 66 66 VAL HA H 1 3.353 0.003 . . . . . . . 66 VAL HA . 50190 1 452 . 1 . 1 66 66 VAL HB H 1 1.970 . . . . . . . . 66 VAL HB . 50190 1 453 . 1 . 1 66 66 VAL HG11 H 1 0.577 0.001 . . . . . . . 66 VAL QG1 . 50190 1 454 . 1 . 1 66 66 VAL HG12 H 1 0.577 0.001 . . . . . . . 66 VAL QG1 . 50190 1 455 . 1 . 1 66 66 VAL HG13 H 1 0.577 0.001 . . . . . . . 66 VAL QG1 . 50190 1 456 . 1 . 1 66 66 VAL HG21 H 1 0.864 0.001 . . . . . . . 66 VAL QG2 . 50190 1 457 . 1 . 1 66 66 VAL HG22 H 1 0.864 0.001 . . . . . . . 66 VAL QG2 . 50190 1 458 . 1 . 1 66 66 VAL HG23 H 1 0.864 0.001 . . . . . . . 66 VAL QG2 . 50190 1 459 . 1 . 1 66 66 VAL CA C 13 64.911 0.044 . . . . . . . 66 VAL CA . 50190 1 460 . 1 . 1 66 66 VAL CB C 13 28.873 0.076 . . . . . . . 66 VAL CB . 50190 1 461 . 1 . 1 66 66 VAL CG1 C 13 18.903 0.042 . . . . . . . 66 VAL CG1 . 50190 1 462 . 1 . 1 66 66 VAL CG2 C 13 20.937 0.056 . . . . . . . 66 VAL CG2 . 50190 1 463 . 1 . 1 66 66 VAL N N 15 122.417 0.096 . . . . . . . 66 VAL N . 50190 1 464 . 1 . 1 67 67 LEU H H 1 7.892 0.019 . . . . . . . 67 LEU H . 50190 1 465 . 1 . 1 67 67 LEU HA H 1 4.113 0.003 . . . . . . . 67 LEU HA . 50190 1 466 . 1 . 1 67 67 LEU HB2 H 1 1.472 . . . . . . . . 67 LEU HB2 . 50190 1 467 . 1 . 1 67 67 LEU HB3 H 1 1.829 . . . . . . . . 67 LEU HB3 . 50190 1 468 . 1 . 1 67 67 LEU HD11 H 1 0.667 0.003 . . . . . . . 67 LEU QD1 . 50190 1 469 . 1 . 1 67 67 LEU HD12 H 1 0.667 0.003 . . . . . . . 67 LEU QD1 . 50190 1 470 . 1 . 1 67 67 LEU HD13 H 1 0.667 0.003 . . . . . . . 67 LEU QD1 . 50190 1 471 . 1 . 1 67 67 LEU HD21 H 1 0.707 . . . . . . . . 67 LEU QD2 . 50190 1 472 . 1 . 1 67 67 LEU HD22 H 1 0.707 . . . . . . . . 67 LEU QD2 . 50190 1 473 . 1 . 1 67 67 LEU HD23 H 1 0.707 . . . . . . . . 67 LEU QD2 . 50190 1 474 . 1 . 1 67 67 LEU CA C 13 55.747 0.068 . . . . . . . 67 LEU CA . 50190 1 475 . 1 . 1 67 67 LEU CB C 13 38.158 0.003 . . . . . . . 67 LEU CB . 50190 1 476 . 1 . 1 67 67 LEU CD1 C 13 23.133 0.061 . . . . . . . 67 LEU CD1 . 50190 1 477 . 1 . 1 67 67 LEU CD2 C 13 20.119 . . . . . . . . 67 LEU CD2 . 50190 1 478 . 1 . 1 67 67 LEU N N 15 116.780 0.128 . . . . . . . 67 LEU N . 50190 1 479 . 1 . 1 68 68 ARG H H 1 7.908 0.015 . . . . . . . 68 ARG H . 50190 1 480 . 1 . 1 68 68 ARG HA H 1 3.931 0.005 . . . . . . . 68 ARG HA . 50190 1 481 . 1 . 1 68 68 ARG HB2 H 1 1.869 . . . . . . . . 68 ARG HB2 . 50190 1 482 . 1 . 1 68 68 ARG HB3 H 1 1.641 . . . . . . . . 68 ARG HB3 . 50190 1 483 . 1 . 1 68 68 ARG HD2 H 1 3.163 0.001 . . . . . . . 68 ARG HD2 . 50190 1 484 . 1 . 1 68 68 ARG HD3 H 1 3.087 . . . . . . . . 68 ARG HD3 . 50190 1 485 . 1 . 1 68 68 ARG CA C 13 56.943 0.061 . . . . . . . 68 ARG CA . 50190 1 486 . 1 . 1 68 68 ARG CB C 13 27.433 0.116 . . . . . . . 68 ARG CB . 50190 1 487 . 1 . 1 68 68 ARG CG C 13 24.391 0.021 . . . . . . . 68 ARG CG . 50190 1 488 . 1 . 1 68 68 ARG CD C 13 40.457 0.046 . . . . . . . 68 ARG CD . 50190 1 489 . 1 . 1 68 68 ARG N N 15 119.430 0.057 . . . . . . . 68 ARG N . 50190 1 490 . 1 . 1 69 69 GLN H H 1 7.724 0.010 . . . . . . . 69 GLN H . 50190 1 491 . 1 . 1 69 69 GLN HA H 1 4.604 . . . . . . . . 69 GLN HA . 50190 1 492 . 1 . 1 69 69 GLN HG2 H 1 2.077 . . . . . . . . 69 GLN HG2 . 50190 1 493 . 1 . 1 69 69 GLN HG3 H 1 2.190 . . . . . . . . 69 GLN HG3 . 50190 1 494 . 1 . 1 69 69 GLN CA C 13 56.009 . . . . . . . . 69 GLN CA . 50190 1 495 . 1 . 1 69 69 GLN CB C 13 28.930 0.025 . . . . . . . 69 GLN CB . 50190 1 496 . 1 . 1 69 69 GLN N N 15 118.003 0.100 . . . . . . . 69 GLN N . 50190 1 497 . 1 . 1 70 70 TRP H H 1 7.878 0.006 . . . . . . . 70 TRP H . 50190 1 498 . 1 . 1 70 70 TRP HA H 1 4.458 . . . . . . . . 70 TRP HA . 50190 1 499 . 1 . 1 70 70 TRP HB2 H 1 3.484 . . . . . . . . 70 TRP HB2 . 50190 1 500 . 1 . 1 70 70 TRP HB3 H 1 2.677 . . . . . . . . 70 TRP HB3 . 50190 1 501 . 1 . 1 70 70 TRP HD1 H 1 7.259 . . . . . . . . 70 TRP HD1 . 50190 1 502 . 1 . 1 70 70 TRP HE1 H 1 9.789 . . . . . . . . 70 TRP HE1 . 50190 1 503 . 1 . 1 70 70 TRP HE3 H 1 7.164 . . . . . . . . 70 TRP HE3 . 50190 1 504 . 1 . 1 70 70 TRP HZ3 H 1 6.944 . . . . . . . . 70 TRP HZ3 . 50190 1 505 . 1 . 1 70 70 TRP CA C 13 54.129 0.044 . . . . . . . 70 TRP CA . 50190 1 506 . 1 . 1 70 70 TRP CB C 13 26.002 0.037 . . . . . . . 70 TRP CB . 50190 1 507 . 1 . 1 70 70 TRP N N 15 120.842 0.101 . . . . . . . 70 TRP N . 50190 1 508 . 1 . 1 70 70 TRP NE1 N 15 129.179 . . . . . . . . 70 TRP NE1 . 50190 1 509 . 1 . 1 71 71 MET H H 1 8.201 0.009 . . . . . . . 71 MET H . 50190 1 510 . 1 . 1 71 71 MET HA H 1 4.086 0.003 . . . . . . . 71 MET HA . 50190 1 511 . 1 . 1 71 71 MET HB2 H 1 2.478 . . . . . . . . 71 MET HB2 . 50190 1 512 . 1 . 1 71 71 MET HB3 H 1 1.954 . . . . . . . . 71 MET HB3 . 50190 1 513 . 1 . 1 71 71 MET HG2 H 1 2.418 . . . . . . . . 71 MET HG2 . 50190 1 514 . 1 . 1 71 71 MET CA C 13 53.333 0.035 . . . . . . . 71 MET CA . 50190 1 515 . 1 . 1 71 71 MET CB C 13 29.573 0.047 . . . . . . . 71 MET CB . 50190 1 516 . 1 . 1 71 71 MET N N 15 118.474 0.139 . . . . . . . 71 MET N . 50190 1 517 . 1 . 1 72 72 GLY H H 1 7.847 0.009 . . . . . . . 72 GLY H . 50190 1 518 . 1 . 1 72 72 GLY CA C 13 42.618 . . . . . . . . 72 GLY CA . 50190 1 519 . 1 . 1 72 72 GLY N N 15 108.209 0.141 . . . . . . . 72 GLY N . 50190 1 520 . 1 . 1 73 73 SER H H 1 8.105 . . . . . . . . 73 SER H . 50190 1 521 . 1 . 1 73 73 SER HA H 1 4.119 . . . . . . . . 73 SER HA . 50190 1 522 . 1 . 1 73 73 SER HB2 H 1 3.936 0.015 . . . . . . . 73 SER HB2 . 50190 1 523 . 1 . 1 73 73 SER CA C 13 56.397 0.086 . . . . . . . 73 SER CA . 50190 1 524 . 1 . 1 73 73 SER CB C 13 59.479 0.041 . . . . . . . 73 SER CB . 50190 1 525 . 1 . 1 73 73 SER N N 15 113.969 . . . . . . . . 73 SER N . 50190 1 526 . 1 . 1 74 74 ALA H H 1 7.842 0.003 . . . . . . . 74 ALA H . 50190 1 527 . 1 . 1 74 74 ALA N N 15 124.381 0.119 . . . . . . . 74 ALA N . 50190 1 528 . 1 . 1 75 75 PRO HA H 1 4.582 . . . . . . . . 75 PRO HA . 50190 1 529 . 1 . 1 75 75 PRO HB2 H 1 2.380 . . . . . . . . 75 PRO HB2 . 50190 1 530 . 1 . 1 75 75 PRO HB3 H 1 2.069 . . . . . . . . 75 PRO HB3 . 50190 1 531 . 1 . 1 75 75 PRO HD2 H 1 3.849 . . . . . . . . 75 PRO HD2 . 50190 1 532 . 1 . 1 75 75 PRO CA C 13 61.517 . . . . . . . . 75 PRO CA . 50190 1 533 . 1 . 1 75 75 PRO CB C 13 29.140 . . . . . . . . 75 PRO CB . 50190 1 534 . 1 . 1 76 76 SER H H 1 7.434 0.011 . . . . . . . 76 SER H . 50190 1 535 . 1 . 1 76 76 SER HA H 1 5.125 0.003 . . . . . . . 76 SER HA . 50190 1 536 . 1 . 1 76 76 SER HB2 H 1 3.724 . . . . . . . . 76 SER HB2 . 50190 1 537 . 1 . 1 76 76 SER HB3 H 1 3.523 . . . . . . . . 76 SER HB3 . 50190 1 538 . 1 . 1 76 76 SER CA C 13 54.208 0.047 . . . . . . . 76 SER CA . 50190 1 539 . 1 . 1 76 76 SER CB C 13 62.666 0.024 . . . . . . . 76 SER CB . 50190 1 540 . 1 . 1 76 76 SER N N 15 112.352 0.068 . . . . . . . 76 SER N . 50190 1 541 . 1 . 1 77 77 ILE H H 1 8.467 0.007 . . . . . . . 77 ILE H . 50190 1 542 . 1 . 1 77 77 ILE HA H 1 4.334 0.001 . . . . . . . 77 ILE HA . 50190 1 543 . 1 . 1 77 77 ILE HB H 1 1.212 0.004 . . . . . . . 77 ILE HB . 50190 1 544 . 1 . 1 77 77 ILE HG21 H 1 0.455 0.022 . . . . . . . 77 ILE QG2 . 50190 1 545 . 1 . 1 77 77 ILE HG22 H 1 0.455 0.022 . . . . . . . 77 ILE QG2 . 50190 1 546 . 1 . 1 77 77 ILE HG23 H 1 0.455 0.022 . . . . . . . 77 ILE QG2 . 50190 1 547 . 1 . 1 77 77 ILE HD11 H 1 -0.402 0.003 . . . . . . . 77 ILE QD1 . 50190 1 548 . 1 . 1 77 77 ILE HD12 H 1 -0.402 0.003 . . . . . . . 77 ILE QD1 . 50190 1 549 . 1 . 1 77 77 ILE HD13 H 1 -0.402 0.003 . . . . . . . 77 ILE QD1 . 50190 1 550 . 1 . 1 77 77 ILE CA C 13 57.930 0.061 . . . . . . . 77 ILE CA . 50190 1 551 . 1 . 1 77 77 ILE CB C 13 38.426 0.069 . . . . . . . 77 ILE CB . 50190 1 552 . 1 . 1 77 77 ILE CG1 C 13 24.561 0.033 . . . . . . . 77 ILE CG1 . 50190 1 553 . 1 . 1 77 77 ILE CG2 C 13 14.006 0.050 . . . . . . . 77 ILE CG2 . 50190 1 554 . 1 . 1 77 77 ILE CD1 C 13 8.444 0.031 . . . . . . . 77 ILE CD1 . 50190 1 555 . 1 . 1 77 77 ILE N N 15 120.473 0.095 . . . . . . . 77 ILE N . 50190 1 556 . 1 . 1 78 78 THR H H 1 9.305 0.007 . . . . . . . 78 THR H . 50190 1 557 . 1 . 1 78 78 THR HA H 1 5.218 0.004 . . . . . . . 78 THR HA . 50190 1 558 . 1 . 1 78 78 THR HB H 1 3.924 0.005 . . . . . . . 78 THR HB . 50190 1 559 . 1 . 1 78 78 THR CA C 13 59.095 0.065 . . . . . . . 78 THR CA . 50190 1 560 . 1 . 1 78 78 THR CB C 13 66.472 0.071 . . . . . . . 78 THR CB . 50190 1 561 . 1 . 1 78 78 THR CG2 C 13 18.212 0.048 . . . . . . . 78 THR CG2 . 50190 1 562 . 1 . 1 78 78 THR N N 15 126.331 0.114 . . . . . . . 78 THR N . 50190 1 563 . 1 . 1 79 79 VAL H H 1 9.008 0.011 . . . . . . . 79 VAL H . 50190 1 564 . 1 . 1 79 79 VAL HA H 1 3.979 0.005 . . . . . . . 79 VAL HA . 50190 1 565 . 1 . 1 79 79 VAL HB H 1 2.146 . . . . . . . . 79 VAL HB . 50190 1 566 . 1 . 1 79 79 VAL HG11 H 1 0.563 . . . . . . . . 79 VAL QG1 . 50190 1 567 . 1 . 1 79 79 VAL HG12 H 1 0.563 . . . . . . . . 79 VAL QG1 . 50190 1 568 . 1 . 1 79 79 VAL HG13 H 1 0.563 . . . . . . . . 79 VAL QG1 . 50190 1 569 . 1 . 1 79 79 VAL CA C 13 59.166 0.048 . . . . . . . 79 VAL CA . 50190 1 570 . 1 . 1 79 79 VAL CB C 13 32.008 0.007 . . . . . . . 79 VAL CB . 50190 1 571 . 1 . 1 79 79 VAL CG1 C 13 19.381 0.044 . . . . . . . 79 VAL CG1 . 50190 1 572 . 1 . 1 79 79 VAL N N 15 127.090 0.098 . . . . . . . 79 VAL N . 50190 1 573 . 1 . 1 80 80 ALA H H 1 9.105 0.010 . . . . . . . 80 ALA H . 50190 1 574 . 1 . 1 80 80 ALA HA H 1 3.890 0.004 . . . . . . . 80 ALA HA . 50190 1 575 . 1 . 1 80 80 ALA HB1 H 1 1.112 . . . . . . . . 80 ALA HB . 50190 1 576 . 1 . 1 80 80 ALA HB2 H 1 1.112 . . . . . . . . 80 ALA HB . 50190 1 577 . 1 . 1 80 80 ALA HB3 H 1 1.112 . . . . . . . . 80 ALA HB . 50190 1 578 . 1 . 1 80 80 ALA CA C 13 50.160 0.082 . . . . . . . 80 ALA CA . 50190 1 579 . 1 . 1 80 80 ALA CB C 13 14.573 0.035 . . . . . . . 80 ALA CB . 50190 1 580 . 1 . 1 80 80 ALA N N 15 133.130 0.070 . . . . . . . 80 ALA N . 50190 1 581 . 1 . 1 81 81 GLY H H 1 8.188 0.007 . . . . . . . 81 GLY H . 50190 1 582 . 1 . 1 81 81 GLY HA2 H 1 4.129 . . . . . . . . 81 GLY HA2 . 50190 1 583 . 1 . 1 81 81 GLY HA3 H 1 3.438 . . . . . . . . 81 GLY HA3 . 50190 1 584 . 1 . 1 81 81 GLY CA C 13 42.880 0.017 . . . . . . . 81 GLY CA . 50190 1 585 . 1 . 1 81 81 GLY N N 15 103.865 0.064 . . . . . . . 81 GLY N . 50190 1 586 . 1 . 1 82 82 THR H H 1 7.830 0.007 . . . . . . . 82 THR H . 50190 1 587 . 1 . 1 82 82 THR HA H 1 4.287 0.003 . . . . . . . 82 THR HA . 50190 1 588 . 1 . 1 82 82 THR HB H 1 3.942 0.004 . . . . . . . 82 THR HB . 50190 1 589 . 1 . 1 82 82 THR HG21 H 1 0.494 . . . . . . . . 82 THR QG2 . 50190 1 590 . 1 . 1 82 82 THR HG22 H 1 0.494 . . . . . . . . 82 THR QG2 . 50190 1 591 . 1 . 1 82 82 THR HG23 H 1 0.494 . . . . . . . . 82 THR QG2 . 50190 1 592 . 1 . 1 82 82 THR CA C 13 59.328 0.063 . . . . . . . 82 THR CA . 50190 1 593 . 1 . 1 82 82 THR CB C 13 67.487 0.060 . . . . . . . 82 THR CB . 50190 1 594 . 1 . 1 82 82 THR CG2 C 13 19.821 0.040 . . . . . . . 82 THR CG2 . 50190 1 595 . 1 . 1 82 82 THR N N 15 119.943 0.075 . . . . . . . 82 THR N . 50190 1 596 . 1 . 1 83 83 LYS H H 1 8.501 0.006 . . . . . . . 83 LYS H . 50190 1 597 . 1 . 1 83 83 LYS HA H 1 4.365 0.007 . . . . . . . 83 LYS HA . 50190 1 598 . 1 . 1 83 83 LYS HB2 H 1 1.530 . . . . . . . . 83 LYS HB2 . 50190 1 599 . 1 . 1 83 83 LYS HB3 H 1 1.530 . . . . . . . . 83 LYS HB3 . 50190 1 600 . 1 . 1 83 83 LYS CA C 13 54.081 0.084 . . . . . . . 83 LYS CA . 50190 1 601 . 1 . 1 83 83 LYS CB C 13 31.058 0.095 . . . . . . . 83 LYS CB . 50190 1 602 . 1 . 1 83 83 LYS CD C 13 22.337 . . . . . . . . 83 LYS CD . 50190 1 603 . 1 . 1 83 83 LYS CE C 13 35.555 . . . . . . . . 83 LYS CE . 50190 1 604 . 1 . 1 83 83 LYS N N 15 127.376 0.058 . . . . . . . 83 LYS N . 50190 1 605 . 1 . 1 84 84 PHE H H 1 9.133 0.006 . . . . . . . 84 PHE H . 50190 1 606 . 1 . 1 84 84 PHE HA H 1 4.336 . . . . . . . . 84 PHE HA . 50190 1 607 . 1 . 1 84 84 PHE HB2 H 1 3.194 . . . . . . . . 84 PHE HB2 . 50190 1 608 . 1 . 1 84 84 PHE HB3 H 1 2.482 . . . . . . . . 84 PHE HB3 . 50190 1 609 . 1 . 1 84 84 PHE HD1 H 1 7.128 . . . . . . . . 84 PHE QD . 50190 1 610 . 1 . 1 84 84 PHE HD2 H 1 7.128 . . . . . . . . 84 PHE QD . 50190 1 611 . 1 . 1 84 84 PHE HE1 H 1 6.882 . . . . . . . . 84 PHE QE . 50190 1 612 . 1 . 1 84 84 PHE HE2 H 1 6.882 . . . . . . . . 84 PHE QE . 50190 1 613 . 1 . 1 84 84 PHE CA C 13 55.233 . . . . . . . . 84 PHE CA . 50190 1 614 . 1 . 1 84 84 PHE CB C 13 37.603 . . . . . . . . 84 PHE CB . 50190 1 615 . 1 . 1 84 84 PHE N N 15 126.376 0.190 . . . . . . . 84 PHE N . 50190 1 616 . 1 . 1 85 85 SER HA H 1 4.338 . . . . . . . . 85 SER HA . 50190 1 617 . 1 . 1 85 85 SER HB2 H 1 3.251 . . . . . . . . 85 SER HB2 . 50190 1 618 . 1 . 1 85 85 SER HB3 H 1 2.574 . . . . . . . . 85 SER HB3 . 50190 1 619 . 1 . 1 85 85 SER CA C 13 56.995 . . . . . . . . 85 SER CA . 50190 1 620 . 1 . 1 85 85 SER CB C 13 61.227 . . . . . . . . 85 SER CB . 50190 1 621 . 1 . 1 86 86 SER H H 1 8.499 0.010 . . . . . . . 86 SER H . 50190 1 622 . 1 . 1 86 86 SER HA H 1 3.878 . . . . . . . . 86 SER HA . 50190 1 623 . 1 . 1 86 86 SER CA C 13 57.608 0.037 . . . . . . . 86 SER CA . 50190 1 624 . 1 . 1 86 86 SER CB C 13 60.983 0.076 . . . . . . . 86 SER CB . 50190 1 625 . 1 . 1 86 86 SER N N 15 119.800 0.124 . . . . . . . 86 SER N . 50190 1 626 . 1 . 1 87 87 PHE H H 1 9.011 0.005 . . . . . . . 87 PHE H . 50190 1 627 . 1 . 1 87 87 PHE HA H 1 4.738 0.003 . . . . . . . 87 PHE HA . 50190 1 628 . 1 . 1 87 87 PHE HB2 H 1 2.881 . . . . . . . . 87 PHE HB2 . 50190 1 629 . 1 . 1 87 87 PHE HB3 H 1 2.705 . . . . . . . . 87 PHE HB3 . 50190 1 630 . 1 . 1 87 87 PHE HD1 H 1 7.035 . . . . . . . . 87 PHE QD . 50190 1 631 . 1 . 1 87 87 PHE HD2 H 1 7.035 . . . . . . . . 87 PHE QD . 50190 1 632 . 1 . 1 87 87 PHE HE1 H 1 6.974 . . . . . . . . 87 PHE QE . 50190 1 633 . 1 . 1 87 87 PHE HE2 H 1 6.974 . . . . . . . . 87 PHE QE . 50190 1 634 . 1 . 1 87 87 PHE CA C 13 55.693 . . . . . . . . 87 PHE CA . 50190 1 635 . 1 . 1 87 87 PHE CB C 13 37.783 . . . . . . . . 87 PHE CB . 50190 1 636 . 1 . 1 87 87 PHE N N 15 129.480 0.093 . . . . . . . 87 PHE N . 50190 1 637 . 1 . 1 88 88 ARG H H 1 7.607 0.014 . . . . . . . 88 ARG H . 50190 1 638 . 1 . 1 88 88 ARG HB2 H 1 1.407 . . . . . . . . 88 ARG HB2 . 50190 1 639 . 1 . 1 88 88 ARG HB3 H 1 1.471 . . . . . . . . 88 ARG HB3 . 50190 1 640 . 1 . 1 88 88 ARG CA C 13 53.494 . . . . . . . . 88 ARG CA . 50190 1 641 . 1 . 1 88 88 ARG CB C 13 30.813 . . . . . . . . 88 ARG CB . 50190 1 642 . 1 . 1 88 88 ARG N N 15 119.097 0.071 . . . . . . . 88 ARG N . 50190 1 643 . 1 . 1 89 89 ASN HA H 1 5.310 0.008 . . . . . . . 89 ASN HA . 50190 1 644 . 1 . 1 89 89 ASN HB2 H 1 2.862 . . . . . . . . 89 ASN HB2 . 50190 1 645 . 1 . 1 89 89 ASN HB3 H 1 2.949 . . . . . . . . 89 ASN HB3 . 50190 1 646 . 1 . 1 89 89 ASN CA C 13 50.636 0.024 . . . . . . . 89 ASN CA . 50190 1 647 . 1 . 1 89 89 ASN CB C 13 38.518 0.050 . . . . . . . 89 ASN CB . 50190 1 648 . 1 . 1 90 90 GLU H H 1 9.115 0.004 . . . . . . . 90 GLU H . 50190 1 649 . 1 . 1 90 90 GLU HA H 1 4.933 . . . . . . . . 90 GLU HA . 50190 1 650 . 1 . 1 90 90 GLU HB2 H 1 2.103 . . . . . . . . 90 GLU HB2 . 50190 1 651 . 1 . 1 90 90 GLU HB3 H 1 1.989 . . . . . . . . 90 GLU HB3 . 50190 1 652 . 1 . 1 90 90 GLU CA C 13 50.643 . . . . . . . . 90 GLU CA . 50190 1 653 . 1 . 1 90 90 GLU CB C 13 28.219 . . . . . . . . 90 GLU CB . 50190 1 654 . 1 . 1 90 90 GLU N N 15 129.577 0.107 . . . . . . . 90 GLU N . 50190 1 655 . 1 . 1 91 91 PRO HA H 1 3.785 . . . . . . . . 91 PRO HA . 50190 1 656 . 1 . 1 91 91 PRO HB2 H 1 2.089 . . . . . . . . 91 PRO HB2 . 50190 1 657 . 1 . 1 91 91 PRO HB3 H 1 1.741 . . . . . . . . 91 PRO HB3 . 50190 1 658 . 1 . 1 91 91 PRO CA C 13 62.315 . . . . . . . . 91 PRO CA . 50190 1 659 . 1 . 1 91 91 PRO CB C 13 29.308 . . . . . . . . 91 PRO CB . 50190 1 660 . 1 . 1 92 92 GLY H H 1 6.076 0.026 . . . . . . . 92 GLY H . 50190 1 661 . 1 . 1 92 92 GLY HA2 H 1 3.786 0.019 . . . . . . . 92 GLY HA2 . 50190 1 662 . 1 . 1 92 92 GLY HA3 H 1 2.481 . . . . . . . . 92 GLY HA3 . 50190 1 663 . 1 . 1 92 92 GLY CA C 13 42.810 0.054 . . . . . . . 92 GLY CA . 50190 1 664 . 1 . 1 92 92 GLY N N 15 111.556 0.110 . . . . . . . 92 GLY N . 50190 1 665 . 1 . 1 93 93 VAL H H 1 8.603 0.014 . . . . . . . 93 VAL H . 50190 1 666 . 1 . 1 93 93 VAL HA H 1 4.252 0.004 . . . . . . . 93 VAL HA . 50190 1 667 . 1 . 1 93 93 VAL HB H 1 1.908 . . . . . . . . 93 VAL HB . 50190 1 668 . 1 . 1 93 93 VAL HG11 H 1 0.787 0.002 . . . . . . . 93 VAL QG1 . 50190 1 669 . 1 . 1 93 93 VAL HG12 H 1 0.787 0.002 . . . . . . . 93 VAL QG1 . 50190 1 670 . 1 . 1 93 93 VAL HG13 H 1 0.787 0.002 . . . . . . . 93 VAL QG1 . 50190 1 671 . 1 . 1 93 93 VAL HG21 H 1 0.787 0.002 . . . . . . . 93 VAL QG2 . 50190 1 672 . 1 . 1 93 93 VAL HG22 H 1 0.787 0.002 . . . . . . . 93 VAL QG2 . 50190 1 673 . 1 . 1 93 93 VAL HG23 H 1 0.787 0.002 . . . . . . . 93 VAL QG2 . 50190 1 674 . 1 . 1 93 93 VAL CA C 13 62.731 0.064 . . . . . . . 93 VAL CA . 50190 1 675 . 1 . 1 93 93 VAL CB C 13 32.189 0.070 . . . . . . . 93 VAL CB . 50190 1 676 . 1 . 1 93 93 VAL CG1 C 13 18.079 0.060 . . . . . . . 93 VAL CG1 . 50190 1 677 . 1 . 1 93 93 VAL CG2 C 13 18.101 0.045 . . . . . . . 93 VAL CG2 . 50190 1 678 . 1 . 1 93 93 VAL N N 15 120.929 0.072 . . . . . . . 93 VAL N . 50190 1 679 . 1 . 1 94 94 SER H H 1 9.062 0.013 . . . . . . . 94 SER H . 50190 1 680 . 1 . 1 94 94 SER HA H 1 5.470 0.004 . . . . . . . 94 SER HA . 50190 1 681 . 1 . 1 94 94 SER HB2 H 1 4.170 . . . . . . . . 94 SER HB2 . 50190 1 682 . 1 . 1 94 94 SER HB3 H 1 3.831 . . . . . . . . 94 SER HB3 . 50190 1 683 . 1 . 1 94 94 SER CA C 13 55.316 0.072 . . . . . . . 94 SER CA . 50190 1 684 . 1 . 1 94 94 SER CB C 13 64.686 0.030 . . . . . . . 94 SER CB . 50190 1 685 . 1 . 1 94 94 SER N N 15 112.709 0.066 . . . . . . . 94 SER N . 50190 1 686 . 1 . 1 95 95 PHE H H 1 9.085 0.009 . . . . . . . 95 PHE H . 50190 1 687 . 1 . 1 95 95 PHE HA H 1 4.999 0.003 . . . . . . . 95 PHE HA . 50190 1 688 . 1 . 1 95 95 PHE HB2 H 1 2.712 . . . . . . . . 95 PHE HB2 . 50190 1 689 . 1 . 1 95 95 PHE HB3 H 1 2.168 . . . . . . . . 95 PHE HB3 . 50190 1 690 . 1 . 1 95 95 PHE HD1 H 1 7.137 . . . . . . . . 95 PHE QD . 50190 1 691 . 1 . 1 95 95 PHE HD2 H 1 7.137 . . . . . . . . 95 PHE QD . 50190 1 692 . 1 . 1 95 95 PHE HE1 H 1 6.947 . . . . . . . . 95 PHE QE . 50190 1 693 . 1 . 1 95 95 PHE HE2 H 1 6.947 . . . . . . . . 95 PHE QE . 50190 1 694 . 1 . 1 95 95 PHE CA C 13 54.940 0.041 . . . . . . . 95 PHE CA . 50190 1 695 . 1 . 1 95 95 PHE CB C 13 41.101 0.047 . . . . . . . 95 PHE CB . 50190 1 696 . 1 . 1 95 95 PHE N N 15 123.705 0.081 . . . . . . . 95 PHE N . 50190 1 697 . 1 . 1 96 96 VAL H H 1 8.073 0.006 . . . . . . . 96 VAL H . 50190 1 698 . 1 . 1 96 96 VAL HA H 1 4.654 0.003 . . . . . . . 96 VAL HA . 50190 1 699 . 1 . 1 96 96 VAL HB H 1 1.708 . . . . . . . . 96 VAL HB . 50190 1 700 . 1 . 1 96 96 VAL HG11 H 1 0.641 0.002 . . . . . . . 96 VAL QG1 . 50190 1 701 . 1 . 1 96 96 VAL HG12 H 1 0.641 0.002 . . . . . . . 96 VAL QG1 . 50190 1 702 . 1 . 1 96 96 VAL HG13 H 1 0.641 0.002 . . . . . . . 96 VAL QG1 . 50190 1 703 . 1 . 1 96 96 VAL HG21 H 1 0.715 . . . . . . . . 96 VAL QG2 . 50190 1 704 . 1 . 1 96 96 VAL HG22 H 1 0.715 . . . . . . . . 96 VAL QG2 . 50190 1 705 . 1 . 1 96 96 VAL HG23 H 1 0.715 . . . . . . . . 96 VAL QG2 . 50190 1 706 . 1 . 1 96 96 VAL CA C 13 58.257 0.058 . . . . . . . 96 VAL CA . 50190 1 707 . 1 . 1 96 96 VAL CB C 13 31.668 0.114 . . . . . . . 96 VAL CB . 50190 1 708 . 1 . 1 96 96 VAL CG1 C 13 18.006 0.023 . . . . . . . 96 VAL CG1 . 50190 1 709 . 1 . 1 96 96 VAL CG2 C 13 18.934 0.048 . . . . . . . 96 VAL CG2 . 50190 1 710 . 1 . 1 96 96 VAL N N 15 126.981 0.055 . . . . . . . 96 VAL N . 50190 1 711 . 1 . 1 97 97 GLY H H 1 9.197 0.020 . . . . . . . 97 GLY H . 50190 1 712 . 1 . 1 97 97 GLY HA2 H 1 4.935 . . . . . . . . 97 GLY HA2 . 50190 1 713 . 1 . 1 97 97 GLY HA3 H 1 3.404 . . . . . . . . 97 GLY HA3 . 50190 1 714 . 1 . 1 97 97 GLY CA C 13 42.938 0.002 . . . . . . . 97 GLY CA . 50190 1 715 . 1 . 1 97 97 GLY N N 15 114.961 0.080 . . . . . . . 97 GLY N . 50190 1 716 . 1 . 1 98 98 ARG H H 1 8.972 0.013 . . . . . . . 98 ARG H . 50190 1 717 . 1 . 1 98 98 ARG HA H 1 5.555 0.002 . . . . . . . 98 ARG HA . 50190 1 718 . 1 . 1 98 98 ARG HB2 H 1 1.903 . . . . . . . . 98 ARG HB2 . 50190 1 719 . 1 . 1 98 98 ARG HB3 H 1 1.369 . . . . . . . . 98 ARG HB3 . 50190 1 720 . 1 . 1 98 98 ARG CA C 13 51.837 0.038 . . . . . . . 98 ARG CA . 50190 1 721 . 1 . 1 98 98 ARG CB C 13 32.980 0.060 . . . . . . . 98 ARG CB . 50190 1 722 . 1 . 1 98 98 ARG CG C 13 24.371 . . . . . . . . 98 ARG CG . 50190 1 723 . 1 . 1 98 98 ARG CD C 13 41.095 . . . . . . . . 98 ARG CD . 50190 1 724 . 1 . 1 98 98 ARG N N 15 122.595 0.093 . . . . . . . 98 ARG N . 50190 1 725 . 1 . 1 99 99 ASN H H 1 9.189 0.013 . . . . . . . 99 ASN H . 50190 1 726 . 1 . 1 99 99 ASN HA H 1 5.219 . . . . . . . . 99 ASN HA . 50190 1 727 . 1 . 1 99 99 ASN CA C 13 51.013 . . . . . . . . 99 ASN CA . 50190 1 728 . 1 . 1 99 99 ASN CB C 13 37.952 . . . . . . . . 99 ASN CB . 50190 1 729 . 1 . 1 99 99 ASN N N 15 127.281 0.114 . . . . . . . 99 ASN N . 50190 1 730 . 1 . 1 100 100 MET HA H 1 4.564 . . . . . . . . 100 MET HA . 50190 1 731 . 1 . 1 100 100 MET HB2 H 1 2.278 . . . . . . . . 100 MET HB2 . 50190 1 732 . 1 . 1 100 100 MET HB3 H 1 1.977 . . . . . . . . 100 MET HB3 . 50190 1 733 . 1 . 1 100 100 MET CA C 13 53.244 . . . . . . . . 100 MET CA . 50190 1 734 . 1 . 1 100 100 MET CB C 13 27.700 . . . . . . . . 100 MET CB . 50190 1 735 . 1 . 1 101 101 ALA H H 1 7.655 0.016 . . . . . . . 101 ALA H . 50190 1 736 . 1 . 1 101 101 ALA HA H 1 4.549 0.006 . . . . . . . 101 ALA HA . 50190 1 737 . 1 . 1 101 101 ALA HB1 H 1 1.306 . . . . . . . . 101 ALA HB . 50190 1 738 . 1 . 1 101 101 ALA HB2 H 1 1.306 . . . . . . . . 101 ALA HB . 50190 1 739 . 1 . 1 101 101 ALA HB3 H 1 1.306 . . . . . . . . 101 ALA HB . 50190 1 740 . 1 . 1 101 101 ALA CA C 13 48.498 0.029 . . . . . . . 101 ALA CA . 50190 1 741 . 1 . 1 101 101 ALA CB C 13 15.746 0.060 . . . . . . . 101 ALA CB . 50190 1 742 . 1 . 1 101 101 ALA N N 15 124.465 0.102 . . . . . . . 101 ALA N . 50190 1 743 . 1 . 1 102 102 GLY H H 1 7.524 0.008 . . . . . . . 102 GLY H . 50190 1 744 . 1 . 1 102 102 GLY HA2 H 1 2.692 . . . . . . . . 102 GLY HA2 . 50190 1 745 . 1 . 1 102 102 GLY HA3 H 1 3.917 . . . . . . . . 102 GLY HA3 . 50190 1 746 . 1 . 1 102 102 GLY CA C 13 42.682 0.048 . . . . . . . 102 GLY CA . 50190 1 747 . 1 . 1 102 102 GLY N N 15 105.602 0.105 . . . . . . . 102 GLY N . 50190 1 748 . 1 . 1 103 103 GLY H H 1 8.667 0.013 . . . . . . . 103 GLY H . 50190 1 749 . 1 . 1 103 103 GLY HA2 H 1 3.281 . . . . . . . . 103 GLY HA2 . 50190 1 750 . 1 . 1 103 103 GLY HA3 H 1 4.449 . . . . . . . . 103 GLY HA3 . 50190 1 751 . 1 . 1 103 103 GLY CA C 13 43.493 0.024 . . . . . . . 103 GLY CA . 50190 1 752 . 1 . 1 103 103 GLY N N 15 108.270 0.051 . . . . . . . 103 GLY N . 50190 1 753 . 1 . 1 104 104 GLY H H 1 8.947 0.018 . . . . . . . 104 GLY H . 50190 1 754 . 1 . 1 104 104 GLY HA2 H 1 3.580 . . . . . . . . 104 GLY HA2 . 50190 1 755 . 1 . 1 104 104 GLY HA3 H 1 4.797 . . . . . . . . 104 GLY HA3 . 50190 1 756 . 1 . 1 104 104 GLY CA C 13 43.025 0.018 . . . . . . . 104 GLY CA . 50190 1 757 . 1 . 1 104 104 GLY N N 15 110.488 0.079 . . . . . . . 104 GLY N . 50190 1 758 . 1 . 1 105 105 LEU H H 1 8.538 0.014 . . . . . . . 105 LEU H . 50190 1 759 . 1 . 1 105 105 LEU HA H 1 5.344 0.006 . . . . . . . 105 LEU HA . 50190 1 760 . 1 . 1 105 105 LEU HB2 H 1 1.563 . . . . . . . . 105 LEU HB2 . 50190 1 761 . 1 . 1 105 105 LEU HB3 H 1 1.155 . . . . . . . . 105 LEU HB3 . 50190 1 762 . 1 . 1 105 105 LEU CA C 13 51.044 0.065 . . . . . . . 105 LEU CA . 50190 1 763 . 1 . 1 105 105 LEU CB C 13 46.280 0.086 . . . . . . . 105 LEU CB . 50190 1 764 . 1 . 1 105 105 LEU CD1 C 13 24.117 . . . . . . . . 105 LEU CD1 . 50190 1 765 . 1 . 1 105 105 LEU CD2 C 13 22.903 . . . . . . . . 105 LEU CD2 . 50190 1 766 . 1 . 1 105 105 LEU N N 15 124.438 0.075 . . . . . . . 105 LEU N . 50190 1 767 . 1 . 1 106 106 ILE H H 1 8.887 0.019 . . . . . . . 106 ILE H . 50190 1 768 . 1 . 1 106 106 ILE HA H 1 5.715 0.001 . . . . . . . 106 ILE HA . 50190 1 769 . 1 . 1 106 106 ILE HB H 1 0.960 0.002 . . . . . . . 106 ILE HB . 50190 1 770 . 1 . 1 106 106 ILE HG12 H 1 0.357 . . . . . . . . 106 ILE HG12 . 50190 1 771 . 1 . 1 106 106 ILE HG21 H 1 0.335 0.002 . . . . . . . 106 ILE QG2 . 50190 1 772 . 1 . 1 106 106 ILE HG22 H 1 0.335 0.002 . . . . . . . 106 ILE QG2 . 50190 1 773 . 1 . 1 106 106 ILE HG23 H 1 0.335 0.002 . . . . . . . 106 ILE QG2 . 50190 1 774 . 1 . 1 106 106 ILE HD11 H 1 0.646 0.002 . . . . . . . 106 ILE QD1 . 50190 1 775 . 1 . 1 106 106 ILE HD12 H 1 0.646 0.002 . . . . . . . 106 ILE QD1 . 50190 1 776 . 1 . 1 106 106 ILE HD13 H 1 0.646 0.002 . . . . . . . 106 ILE QD1 . 50190 1 777 . 1 . 1 106 106 ILE CA C 13 54.504 0.073 . . . . . . . 106 ILE CA . 50190 1 778 . 1 . 1 106 106 ILE CB C 13 38.824 0.080 . . . . . . . 106 ILE CB . 50190 1 779 . 1 . 1 106 106 ILE CG1 C 13 22.639 0.070 . . . . . . . 106 ILE CG1 . 50190 1 780 . 1 . 1 106 106 ILE CG2 C 13 15.378 0.043 . . . . . . . 106 ILE CG2 . 50190 1 781 . 1 . 1 106 106 ILE CD1 C 13 11.427 0.058 . . . . . . . 106 ILE CD1 . 50190 1 782 . 1 . 1 106 106 ILE N N 15 124.432 0.083 . . . . . . . 106 ILE N . 50190 1 783 . 1 . 1 107 107 ILE H H 1 8.306 0.005 . . . . . . . 107 ILE H . 50190 1 784 . 1 . 1 107 107 ILE HA H 1 5.050 0.004 . . . . . . . 107 ILE HA . 50190 1 785 . 1 . 1 107 107 ILE HB H 1 1.880 . . . . . . . . 107 ILE HB . 50190 1 786 . 1 . 1 107 107 ILE HG21 H 1 0.854 0.003 . . . . . . . 107 ILE QG2 . 50190 1 787 . 1 . 1 107 107 ILE HG22 H 1 0.854 0.003 . . . . . . . 107 ILE QG2 . 50190 1 788 . 1 . 1 107 107 ILE HG23 H 1 0.854 0.003 . . . . . . . 107 ILE QG2 . 50190 1 789 . 1 . 1 107 107 ILE HD11 H 1 -0.395 . . . . . . . . 107 ILE QD1 . 50190 1 790 . 1 . 1 107 107 ILE HD12 H 1 -0.395 . . . . . . . . 107 ILE QD1 . 50190 1 791 . 1 . 1 107 107 ILE HD13 H 1 -0.395 . . . . . . . . 107 ILE QD1 . 50190 1 792 . 1 . 1 107 107 ILE CA C 13 56.832 0.043 . . . . . . . 107 ILE CA . 50190 1 793 . 1 . 1 107 107 ILE CB C 13 38.378 0.114 . . . . . . . 107 ILE CB . 50190 1 794 . 1 . 1 107 107 ILE CG1 C 13 26.207 0.008 . . . . . . . 107 ILE CG1 . 50190 1 795 . 1 . 1 107 107 ILE CG2 C 13 15.394 0.051 . . . . . . . 107 ILE CG2 . 50190 1 796 . 1 . 1 107 107 ILE N N 15 124.280 0.060 . . . . . . . 107 ILE N . 50190 1 797 . 1 . 1 108 108 LEU H H 1 9.056 0.003 . . . . . . . 108 LEU H . 50190 1 798 . 1 . 1 108 108 LEU HA H 1 5.517 0.004 . . . . . . . 108 LEU HA . 50190 1 799 . 1 . 1 108 108 LEU HB2 H 1 0.305 0.005 . . . . . . . 108 LEU HB2 . 50190 1 800 . 1 . 1 108 108 LEU HB3 H 1 0.692 0.006 . . . . . . . 108 LEU HB3 . 50190 1 801 . 1 . 1 108 108 LEU HD11 H 1 0.134 . . . . . . . . 108 LEU QD1 . 50190 1 802 . 1 . 1 108 108 LEU HD12 H 1 0.134 . . . . . . . . 108 LEU QD1 . 50190 1 803 . 1 . 1 108 108 LEU HD13 H 1 0.134 . . . . . . . . 108 LEU QD1 . 50190 1 804 . 1 . 1 108 108 LEU HD21 H 1 -0.236 . . . . . . . . 108 LEU QD2 . 50190 1 805 . 1 . 1 108 108 LEU HD22 H 1 -0.236 . . . . . . . . 108 LEU QD2 . 50190 1 806 . 1 . 1 108 108 LEU HD23 H 1 -0.236 . . . . . . . . 108 LEU QD2 . 50190 1 807 . 1 . 1 108 108 LEU CA C 13 50.916 0.077 . . . . . . . 108 LEU CA . 50190 1 808 . 1 . 1 108 108 LEU CB C 13 41.660 0.148 . . . . . . . 108 LEU CB . 50190 1 809 . 1 . 1 108 108 LEU CG C 13 24.215 . . . . . . . . 108 LEU CG . 50190 1 810 . 1 . 1 108 108 LEU CD1 C 13 21.556 0.031 . . . . . . . 108 LEU CD1 . 50190 1 811 . 1 . 1 108 108 LEU N N 15 126.144 0.077 . . . . . . . 108 LEU N . 50190 1 812 . 1 . 1 109 109 GLN H H 1 8.935 0.007 . . . . . . . 109 GLN H . 50190 1 813 . 1 . 1 109 109 GLN HA H 1 5.045 0.002 . . . . . . . 109 GLN HA . 50190 1 814 . 1 . 1 109 109 GLN HB2 H 1 2.110 . . . . . . . . 109 GLN HB2 . 50190 1 815 . 1 . 1 109 109 GLN HB3 H 1 1.558 . . . . . . . . 109 GLN HB3 . 50190 1 816 . 1 . 1 109 109 GLN CA C 13 51.481 0.054 . . . . . . . 109 GLN CA . 50190 1 817 . 1 . 1 109 109 GLN CB C 13 29.485 0.086 . . . . . . . 109 GLN CB . 50190 1 818 . 1 . 1 109 109 GLN CG C 13 30.977 . . . . . . . . 109 GLN CG . 50190 1 819 . 1 . 1 109 109 GLN N N 15 120.900 0.097 . . . . . . . 109 GLN N . 50190 1 820 . 1 . 1 110 110 LYS H H 1 8.951 0.008 . . . . . . . 110 LYS H . 50190 1 821 . 1 . 1 110 110 LYS HA H 1 4.788 0.002 . . . . . . . 110 LYS HA . 50190 1 822 . 1 . 1 110 110 LYS HB2 H 1 2.047 . . . . . . . . 110 LYS HB2 . 50190 1 823 . 1 . 1 110 110 LYS HB3 H 1 1.934 . . . . . . . . 110 LYS HB3 . 50190 1 824 . 1 . 1 110 110 LYS CA C 13 54.912 0.018 . . . . . . . 110 LYS CA . 50190 1 825 . 1 . 1 110 110 LYS CB C 13 30.925 0.029 . . . . . . . 110 LYS CB . 50190 1 826 . 1 . 1 110 110 LYS N N 15 130.868 0.059 . . . . . . . 110 LYS N . 50190 1 827 . 1 . 1 111 111 ALA H H 1 9.526 0.014 . . . . . . . 111 ALA H . 50190 1 828 . 1 . 1 111 111 ALA HA H 1 4.829 0.002 . . . . . . . 111 ALA HA . 50190 1 829 . 1 . 1 111 111 ALA HB1 H 1 1.863 . . . . . . . . 111 ALA HB . 50190 1 830 . 1 . 1 111 111 ALA HB2 H 1 1.863 . . . . . . . . 111 ALA HB . 50190 1 831 . 1 . 1 111 111 ALA HB3 H 1 1.863 . . . . . . . . 111 ALA HB . 50190 1 832 . 1 . 1 111 111 ALA CA C 13 47.883 0.026 . . . . . . . 111 ALA CA . 50190 1 833 . 1 . 1 111 111 ALA CB C 13 17.288 0.096 . . . . . . . 111 ALA CB . 50190 1 834 . 1 . 1 111 111 ALA N N 15 131.981 0.084 . . . . . . . 111 ALA N . 50190 1 835 . 1 . 1 112 112 PRO HA H 1 4.056 . . . . . . . . 112 PRO HA . 50190 1 836 . 1 . 1 112 112 PRO HB2 H 1 1.509 . . . . . . . . 112 PRO HB2 . 50190 1 837 . 1 . 1 112 112 PRO HB3 H 1 2.216 . . . . . . . . 112 PRO HB3 . 50190 1 838 . 1 . 1 112 112 PRO CA C 13 62.279 . . . . . . . . 112 PRO CA . 50190 1 839 . 1 . 1 112 112 PRO CB C 13 29.269 . . . . . . . . 112 PRO CB . 50190 1 840 . 1 . 1 113 113 ASN H H 1 7.938 0.009 . . . . . . . 113 ASN H . 50190 1 841 . 1 . 1 113 113 ASN HA H 1 4.702 0.005 . . . . . . . 113 ASN HA . 50190 1 842 . 1 . 1 113 113 ASN HB2 H 1 2.771 . . . . . . . . 113 ASN HB2 . 50190 1 843 . 1 . 1 113 113 ASN HB3 H 1 2.771 . . . . . . . . 113 ASN HB3 . 50190 1 844 . 1 . 1 113 113 ASN CA C 13 49.858 0.055 . . . . . . . 113 ASN CA . 50190 1 845 . 1 . 1 113 113 ASN CB C 13 36.867 0.035 . . . . . . . 113 ASN CB . 50190 1 846 . 1 . 1 113 113 ASN N N 15 112.479 0.057 . . . . . . . 113 ASN N . 50190 1 847 . 1 . 1 114 114 GLY H H 1 8.524 0.018 . . . . . . . 114 GLY H . 50190 1 848 . 1 . 1 114 114 GLY HA2 H 1 4.304 . . . . . . . . 114 GLY HA2 . 50190 1 849 . 1 . 1 114 114 GLY HA3 H 1 3.468 . . . . . . . . 114 GLY HA3 . 50190 1 850 . 1 . 1 114 114 GLY CA C 13 42.860 0.024 . . . . . . . 114 GLY CA . 50190 1 851 . 1 . 1 114 114 GLY N N 15 110.790 0.084 . . . . . . . 114 GLY N . 50190 1 852 . 1 . 1 115 115 TYR H H 1 7.657 0.012 . . . . . . . 115 TYR H . 50190 1 853 . 1 . 1 115 115 TYR HA H 1 4.295 0.003 . . . . . . . 115 TYR HA . 50190 1 854 . 1 . 1 115 115 TYR HB2 H 1 3.026 . . . . . . . . 115 TYR HB2 . 50190 1 855 . 1 . 1 115 115 TYR HB3 H 1 2.384 . . . . . . . . 115 TYR HB3 . 50190 1 856 . 1 . 1 115 115 TYR HD1 H 1 6.660 . . . . . . . . 115 TYR QD . 50190 1 857 . 1 . 1 115 115 TYR HD2 H 1 6.660 . . . . . . . . 115 TYR QD . 50190 1 858 . 1 . 1 115 115 TYR HE1 H 1 6.253 . . . . . . . . 115 TYR QE . 50190 1 859 . 1 . 1 115 115 TYR HE2 H 1 6.253 . . . . . . . . 115 TYR QE . 50190 1 860 . 1 . 1 115 115 TYR CA C 13 56.222 0.041 . . . . . . . 115 TYR CA . 50190 1 861 . 1 . 1 115 115 TYR CB C 13 35.036 0.061 . . . . . . . 115 TYR CB . 50190 1 862 . 1 . 1 115 115 TYR N N 15 121.829 0.102 . . . . . . . 115 TYR N . 50190 1 863 . 1 . 1 116 116 VAL H H 1 9.095 0.014 . . . . . . . 116 VAL H . 50190 1 864 . 1 . 1 116 116 VAL HA H 1 4.694 . . . . . . . . 116 VAL HA . 50190 1 865 . 1 . 1 116 116 VAL HB H 1 1.817 . . . . . . . . 116 VAL HB . 50190 1 866 . 1 . 1 116 116 VAL HG11 H 1 0.911 . . . . . . . . 116 VAL QG1 . 50190 1 867 . 1 . 1 116 116 VAL HG12 H 1 0.911 . . . . . . . . 116 VAL QG1 . 50190 1 868 . 1 . 1 116 116 VAL HG13 H 1 0.911 . . . . . . . . 116 VAL QG1 . 50190 1 869 . 1 . 1 116 116 VAL CA C 13 59.057 0.089 . . . . . . . 116 VAL CA . 50190 1 870 . 1 . 1 116 116 VAL CB C 13 33.648 0.054 . . . . . . . 116 VAL CB . 50190 1 871 . 1 . 1 116 116 VAL N N 15 119.724 0.059 . . . . . . . 116 VAL N . 50190 1 872 . 1 . 1 117 117 PHE H H 1 9.159 0.022 . . . . . . . 117 PHE H . 50190 1 873 . 1 . 1 117 117 PHE HA H 1 4.651 0.002 . . . . . . . 117 PHE HA . 50190 1 874 . 1 . 1 117 117 PHE HB2 H 1 3.036 . . . . . . . . 117 PHE HB2 . 50190 1 875 . 1 . 1 117 117 PHE HB3 H 1 2.709 . . . . . . . . 117 PHE HB3 . 50190 1 876 . 1 . 1 117 117 PHE HD1 H 1 7.178 . . . . . . . . 117 PHE QD . 50190 1 877 . 1 . 1 117 117 PHE HD2 H 1 7.178 . . . . . . . . 117 PHE QD . 50190 1 878 . 1 . 1 117 117 PHE CA C 13 55.958 0.002 . . . . . . . 117 PHE CA . 50190 1 879 . 1 . 1 117 117 PHE CB C 13 38.033 0.021 . . . . . . . 117 PHE CB . 50190 1 880 . 1 . 1 117 117 PHE N N 15 127.202 0.098 . . . . . . . 117 PHE N . 50190 1 881 . 1 . 1 118 118 LEU H H 1 9.384 0.011 . . . . . . . 118 LEU H . 50190 1 882 . 1 . 1 118 118 LEU HA H 1 5.686 0.005 . . . . . . . 118 LEU HA . 50190 1 883 . 1 . 1 118 118 LEU HB2 H 1 1.906 . . . . . . . . 118 LEU HB2 . 50190 1 884 . 1 . 1 118 118 LEU HB3 H 1 1.109 . . . . . . . . 118 LEU HB3 . 50190 1 885 . 1 . 1 118 118 LEU HD11 H 1 0.475 0.001 . . . . . . . 118 LEU QD1 . 50190 1 886 . 1 . 1 118 118 LEU HD12 H 1 0.475 0.001 . . . . . . . 118 LEU QD1 . 50190 1 887 . 1 . 1 118 118 LEU HD13 H 1 0.475 0.001 . . . . . . . 118 LEU QD1 . 50190 1 888 . 1 . 1 118 118 LEU CA C 13 50.704 0.065 . . . . . . . 118 LEU CA . 50190 1 889 . 1 . 1 118 118 LEU CB C 13 41.260 0.045 . . . . . . . 118 LEU CB . 50190 1 890 . 1 . 1 118 118 LEU CG C 13 24.404 0.028 . . . . . . . 118 LEU CG . 50190 1 891 . 1 . 1 118 118 LEU CD1 C 13 20.854 0.049 . . . . . . . 118 LEU CD1 . 50190 1 892 . 1 . 1 118 118 LEU N N 15 127.796 0.066 . . . . . . . 118 LEU N . 50190 1 893 . 1 . 1 119 119 SER H H 1 9.647 0.017 . . . . . . . 119 SER H . 50190 1 894 . 1 . 1 119 119 SER HA H 1 5.868 0.004 . . . . . . . 119 SER HA . 50190 1 895 . 1 . 1 119 119 SER HB2 H 1 3.992 . . . . . . . . 119 SER HB2 . 50190 1 896 . 1 . 1 119 119 SER HB3 H 1 3.560 . . . . . . . . 119 SER HB3 . 50190 1 897 . 1 . 1 119 119 SER CA C 13 53.827 0.055 . . . . . . . 119 SER CA . 50190 1 898 . 1 . 1 119 119 SER CB C 13 65.652 0.030 . . . . . . . 119 SER CB . 50190 1 899 . 1 . 1 119 119 SER N N 15 121.691 0.072 . . . . . . . 119 SER N . 50190 1 900 . 1 . 1 120 120 TRP H H 1 8.950 0.011 . . . . . . . 120 TRP H . 50190 1 901 . 1 . 1 120 120 TRP HA H 1 5.553 0.004 . . . . . . . 120 TRP HA . 50190 1 902 . 1 . 1 120 120 TRP HB2 H 1 2.898 . . . . . . . . 120 TRP HB2 . 50190 1 903 . 1 . 1 120 120 TRP HB3 H 1 2.372 . . . . . . . . 120 TRP HB3 . 50190 1 904 . 1 . 1 120 120 TRP HE1 H 1 10.950 . . . . . . . . 120 TRP HE1 . 50190 1 905 . 1 . 1 120 120 TRP HE3 H 1 6.961 . . . . . . . . 120 TRP HE3 . 50190 1 906 . 1 . 1 120 120 TRP CA C 13 54.494 0.038 . . . . . . . 120 TRP CA . 50190 1 907 . 1 . 1 120 120 TRP CB C 13 29.805 0.053 . . . . . . . 120 TRP CB . 50190 1 908 . 1 . 1 120 120 TRP N N 15 121.690 0.090 . . . . . . . 120 TRP N . 50190 1 909 . 1 . 1 120 120 TRP NE1 N 15 130.202 . . . . . . . . 120 TRP NE1 . 50190 1 910 . 1 . 1 121 121 THR H H 1 8.398 0.020 . . . . . . . 121 THR H . 50190 1 911 . 1 . 1 121 121 THR HA H 1 3.842 0.003 . . . . . . . 121 THR HA . 50190 1 912 . 1 . 1 121 121 THR HG21 H 1 1.210 . . . . . . . . 121 THR QG2 . 50190 1 913 . 1 . 1 121 121 THR HG22 H 1 1.210 . . . . . . . . 121 THR QG2 . 50190 1 914 . 1 . 1 121 121 THR HG23 H 1 1.210 . . . . . . . . 121 THR QG2 . 50190 1 915 . 1 . 1 121 121 THR CA C 13 59.515 0.033 . . . . . . . 121 THR CA . 50190 1 916 . 1 . 1 121 121 THR CB C 13 69.089 0.052 . . . . . . . 121 THR CB . 50190 1 917 . 1 . 1 121 121 THR CG2 C 13 18.279 0.054 . . . . . . . 121 THR CG2 . 50190 1 918 . 1 . 1 121 121 THR N N 15 128.581 0.050 . . . . . . . 121 THR N . 50190 1 919 . 1 . 1 122 122 SER H H 1 7.790 0.014 . . . . . . . 122 SER H . 50190 1 920 . 1 . 1 122 122 SER HA H 1 4.194 . . . . . . . . 122 SER HA . 50190 1 921 . 1 . 1 122 122 SER HB2 H 1 3.470 . . . . . . . . 122 SER HB2 . 50190 1 922 . 1 . 1 122 122 SER CA C 13 54.866 0.021 . . . . . . . 122 SER CA . 50190 1 923 . 1 . 1 122 122 SER CB C 13 62.343 0.017 . . . . . . . 122 SER CB . 50190 1 924 . 1 . 1 122 122 SER N N 15 121.562 0.150 . . . . . . . 122 SER N . 50190 1 925 . 1 . 1 123 123 HIS H H 1 8.888 0.004 . . . . . . . 123 HIS H . 50190 1 926 . 1 . 1 123 123 HIS HA H 1 4.033 . . . . . . . . 123 HIS HA . 50190 1 927 . 1 . 1 123 123 HIS HB2 H 1 3.022 . . . . . . . . 123 HIS HB2 . 50190 1 928 . 1 . 1 123 123 HIS HB3 H 1 2.854 . . . . . . . . 123 HIS HB3 . 50190 1 929 . 1 . 1 123 123 HIS CA C 13 57.571 0.068 . . . . . . . 123 HIS CA . 50190 1 930 . 1 . 1 123 123 HIS CB C 13 30.068 0.020 . . . . . . . 123 HIS CB . 50190 1 931 . 1 . 1 123 123 HIS N N 15 123.019 0.055 . . . . . . . 123 HIS N . 50190 1 932 . 1 . 1 124 124 GLU H H 1 8.956 0.019 . . . . . . . 124 GLU H . 50190 1 933 . 1 . 1 124 124 GLU CA C 13 57.738 . . . . . . . . 124 GLU CA . 50190 1 934 . 1 . 1 124 124 GLU CB C 13 26.382 . . . . . . . . 124 GLU CB . 50190 1 935 . 1 . 1 124 124 GLU N N 15 120.458 0.147 . . . . . . . 124 GLU N . 50190 1 936 . 1 . 1 125 125 PHE H H 1 8.034 0.002 . . . . . . . 125 PHE H . 50190 1 937 . 1 . 1 125 125 PHE HA H 1 4.017 . . . . . . . . 125 PHE HA . 50190 1 938 . 1 . 1 125 125 PHE HB2 H 1 3.012 . . . . . . . . 125 PHE HB2 . 50190 1 939 . 1 . 1 125 125 PHE HB3 H 1 2.667 . . . . . . . . 125 PHE HB3 . 50190 1 940 . 1 . 1 125 125 PHE HD1 H 1 6.730 . . . . . . . . 125 PHE QD . 50190 1 941 . 1 . 1 125 125 PHE HD2 H 1 6.730 . . . . . . . . 125 PHE QD . 50190 1 942 . 1 . 1 125 125 PHE CA C 13 59.237 0.008 . . . . . . . 125 PHE CA . 50190 1 943 . 1 . 1 125 125 PHE CB C 13 36.218 0.012 . . . . . . . 125 PHE CB . 50190 1 944 . 1 . 1 125 125 PHE N N 15 121.908 0.022 . . . . . . . 125 PHE N . 50190 1 945 . 1 . 1 126 126 LEU H H 1 7.622 0.013 . . . . . . . 126 LEU H . 50190 1 946 . 1 . 1 126 126 LEU HA H 1 3.406 0.003 . . . . . . . 126 LEU HA . 50190 1 947 . 1 . 1 126 126 LEU HB2 H 1 1.661 . . . . . . . . 126 LEU HB2 . 50190 1 948 . 1 . 1 126 126 LEU HB3 H 1 1.329 . . . . . . . . 126 LEU HB3 . 50190 1 949 . 1 . 1 126 126 LEU CA C 13 55.838 0.065 . . . . . . . 126 LEU CA . 50190 1 950 . 1 . 1 126 126 LEU CB C 13 38.465 0.108 . . . . . . . 126 LEU CB . 50190 1 951 . 1 . 1 126 126 LEU CD1 C 13 23.319 . . . . . . . . 126 LEU CD1 . 50190 1 952 . 1 . 1 126 126 LEU CD2 C 13 20.127 . . . . . . . . 126 LEU CD2 . 50190 1 953 . 1 . 1 126 126 LEU N N 15 121.986 0.106 . . . . . . . 126 LEU N . 50190 1 954 . 1 . 1 127 127 THR H H 1 8.144 0.015 . . . . . . . 127 THR H . 50190 1 955 . 1 . 1 127 127 THR HA H 1 4.381 . . . . . . . . 127 THR HA . 50190 1 956 . 1 . 1 127 127 THR HB H 1 2.769 . . . . . . . . 127 THR HB . 50190 1 957 . 1 . 1 127 127 THR HG21 H 1 0.850 0.002 . . . . . . . 127 THR QG2 . 50190 1 958 . 1 . 1 127 127 THR HG22 H 1 0.850 0.002 . . . . . . . 127 THR QG2 . 50190 1 959 . 1 . 1 127 127 THR HG23 H 1 0.850 0.002 . . . . . . . 127 THR QG2 . 50190 1 960 . 1 . 1 127 127 THR CA C 13 62.734 0.095 . . . . . . . 127 THR CA . 50190 1 961 . 1 . 1 127 127 THR CB C 13 66.182 0.057 . . . . . . . 127 THR CB . 50190 1 962 . 1 . 1 127 127 THR CG2 C 13 18.269 0.028 . . . . . . . 127 THR CG2 . 50190 1 963 . 1 . 1 127 127 THR N N 15 114.355 0.164 . . . . . . . 127 THR N . 50190 1 964 . 1 . 1 128 128 THR H H 1 7.926 0.009 . . . . . . . 128 THR H . 50190 1 965 . 1 . 1 128 128 THR HA H 1 4.140 . . . . . . . . 128 THR HA . 50190 1 966 . 1 . 1 128 128 THR HB H 1 3.945 . . . . . . . . 128 THR HB . 50190 1 967 . 1 . 1 128 128 THR CA C 13 62.444 0.078 . . . . . . . 128 THR CA . 50190 1 968 . 1 . 1 128 128 THR CB C 13 66.464 0.022 . . . . . . . 128 THR CB . 50190 1 969 . 1 . 1 128 128 THR N N 15 116.291 0.111 . . . . . . . 128 THR N . 50190 1 970 . 1 . 1 129 129 SER H H 1 7.864 0.015 . . . . . . . 129 SER H . 50190 1 971 . 1 . 1 129 129 SER HA H 1 3.861 0.006 . . . . . . . 129 SER HA . 50190 1 972 . 1 . 1 129 129 SER HB2 H 1 2.874 . . . . . . . . 129 SER HB2 . 50190 1 973 . 1 . 1 129 129 SER HB3 H 1 3.233 . . . . . . . . 129 SER HB3 . 50190 1 974 . 1 . 1 129 129 SER CA C 13 57.690 0.008 . . . . . . . 129 SER CA . 50190 1 975 . 1 . 1 129 129 SER CB C 13 61.154 0.017 . . . . . . . 129 SER CB . 50190 1 976 . 1 . 1 129 129 SER N N 15 116.650 0.095 . . . . . . . 129 SER N . 50190 1 977 . 1 . 1 130 130 GLY H H 1 7.157 0.010 . . . . . . . 130 GLY H . 50190 1 978 . 1 . 1 130 130 GLY HA2 H 1 3.822 . . . . . . . . 130 GLY HA2 . 50190 1 979 . 1 . 1 130 130 GLY HA3 H 1 3.584 . . . . . . . . 130 GLY HA3 . 50190 1 980 . 1 . 1 130 130 GLY CA C 13 43.439 0.006 . . . . . . . 130 GLY CA . 50190 1 981 . 1 . 1 130 130 GLY N N 15 111.110 0.090 . . . . . . . 130 GLY N . 50190 1 982 . 1 . 1 131 131 LEU H H 1 7.485 0.013 . . . . . . . 131 LEU H . 50190 1 983 . 1 . 1 131 131 LEU HA H 1 4.207 . . . . . . . . 131 LEU HA . 50190 1 984 . 1 . 1 131 131 LEU HG H 1 1.163 . . . . . . . . 131 LEU HG . 50190 1 985 . 1 . 1 131 131 LEU HD11 H 1 0.567 . . . . . . . . 131 LEU QD1 . 50190 1 986 . 1 . 1 131 131 LEU HD12 H 1 0.567 . . . . . . . . 131 LEU QD1 . 50190 1 987 . 1 . 1 131 131 LEU HD13 H 1 0.567 . . . . . . . . 131 LEU QD1 . 50190 1 988 . 1 . 1 131 131 LEU HD21 H 1 1.043 . . . . . . . . 131 LEU QD2 . 50190 1 989 . 1 . 1 131 131 LEU HD22 H 1 1.043 . . . . . . . . 131 LEU QD2 . 50190 1 990 . 1 . 1 131 131 LEU HD23 H 1 1.043 . . . . . . . . 131 LEU QD2 . 50190 1 991 . 1 . 1 131 131 LEU CA C 13 50.437 . . . . . . . . 131 LEU CA . 50190 1 992 . 1 . 1 131 131 LEU CB C 13 40.203 . . . . . . . . 131 LEU CB . 50190 1 993 . 1 . 1 131 131 LEU N N 15 123.652 0.082 . . . . . . . 131 LEU N . 50190 1 994 . 1 . 1 132 132 PRO HB2 H 1 1.993 . . . . . . . . 132 PRO HB2 . 50190 1 995 . 1 . 1 132 132 PRO HB3 H 1 2.093 . . . . . . . . 132 PRO HB3 . 50190 1 996 . 1 . 1 132 132 PRO HD2 H 1 3.690 . . . . . . . . 132 PRO QD . 50190 1 997 . 1 . 1 132 132 PRO HD3 H 1 3.690 . . . . . . . . 132 PRO QD . 50190 1 998 . 1 . 1 133 133 PRO HA H 1 3.814 . . . . . . . . 133 PRO HA . 50190 1 999 . 1 . 1 133 133 PRO HB2 H 1 1.962 . . . . . . . . 133 PRO HB2 . 50190 1 1000 . 1 . 1 133 133 PRO HB3 H 1 1.550 . . . . . . . . 133 PRO HB3 . 50190 1 1001 . 1 . 1 133 133 PRO CA C 13 63.020 . . . . . . . . 133 PRO CA . 50190 1 1002 . 1 . 1 133 133 PRO CB C 13 30.194 0.001 . . . . . . . 133 PRO CB . 50190 1 1003 . 1 . 1 134 134 LEU H H 1 8.618 0.007 . . . . . . . 134 LEU H . 50190 1 1004 . 1 . 1 134 134 LEU HA H 1 4.205 . . . . . . . . 134 LEU HA . 50190 1 1005 . 1 . 1 134 134 LEU HB2 H 1 1.865 . . . . . . . . 134 LEU QB . 50190 1 1006 . 1 . 1 134 134 LEU HB3 H 1 1.865 . . . . . . . . 134 LEU QB . 50190 1 1007 . 1 . 1 134 134 LEU HG H 1 0.939 . . . . . . . . 134 LEU HG . 50190 1 1008 . 1 . 1 134 134 LEU HD11 H 1 0.803 0.002 . . . . . . . 134 LEU QD1 . 50190 1 1009 . 1 . 1 134 134 LEU HD12 H 1 0.803 0.002 . . . . . . . 134 LEU QD1 . 50190 1 1010 . 1 . 1 134 134 LEU HD13 H 1 0.803 0.002 . . . . . . . 134 LEU QD1 . 50190 1 1011 . 1 . 1 134 134 LEU HD21 H 1 0.704 . . . . . . . . 134 LEU QD2 . 50190 1 1012 . 1 . 1 134 134 LEU HD22 H 1 0.704 . . . . . . . . 134 LEU QD2 . 50190 1 1013 . 1 . 1 134 134 LEU HD23 H 1 0.704 . . . . . . . . 134 LEU QD2 . 50190 1 1014 . 1 . 1 134 134 LEU CA C 13 54.879 0.036 . . . . . . . 134 LEU CA . 50190 1 1015 . 1 . 1 134 134 LEU CB C 13 37.302 0.049 . . . . . . . 134 LEU CB . 50190 1 1016 . 1 . 1 134 134 LEU CD1 C 13 20.118 0.044 . . . . . . . 134 LEU CD1 . 50190 1 1017 . 1 . 1 134 134 LEU CD2 C 13 22.017 . . . . . . . . 134 LEU CD2 . 50190 1 1018 . 1 . 1 134 134 LEU N N 15 114.374 0.078 . . . . . . . 134 LEU N . 50190 1 1019 . 1 . 1 135 135 ASN H H 1 8.043 0.006 . . . . . . . 135 ASN H . 50190 1 1020 . 1 . 1 135 135 ASN HA H 1 4.435 0.005 . . . . . . . 135 ASN HA . 50190 1 1021 . 1 . 1 135 135 ASN HB2 H 1 2.801 . . . . . . . . 135 ASN QB . 50190 1 1022 . 1 . 1 135 135 ASN HB3 H 1 2.801 . . . . . . . . 135 ASN QB . 50190 1 1023 . 1 . 1 135 135 ASN CA C 13 53.650 0.043 . . . . . . . 135 ASN CA . 50190 1 1024 . 1 . 1 135 135 ASN CB C 13 34.787 . . . . . . . . 135 ASN CB . 50190 1 1025 . 1 . 1 135 135 ASN N N 15 121.352 0.113 . . . . . . . 135 ASN N . 50190 1 1026 . 1 . 1 136 136 ILE H H 1 7.115 0.008 . . . . . . . 136 ILE H . 50190 1 1027 . 1 . 1 136 136 ILE HA H 1 3.557 0.006 . . . . . . . 136 ILE HA . 50190 1 1028 . 1 . 1 136 136 ILE HG12 H 1 0.684 0.002 . . . . . . . 136 ILE HG12 . 50190 1 1029 . 1 . 1 136 136 ILE HG21 H 1 0.690 . . . . . . . . 136 ILE QG2 . 50190 1 1030 . 1 . 1 136 136 ILE HG22 H 1 0.690 . . . . . . . . 136 ILE QG2 . 50190 1 1031 . 1 . 1 136 136 ILE HG23 H 1 0.690 . . . . . . . . 136 ILE QG2 . 50190 1 1032 . 1 . 1 136 136 ILE HD11 H 1 0.689 0.001 . . . . . . . 136 ILE QD1 . 50190 1 1033 . 1 . 1 136 136 ILE HD12 H 1 0.689 0.001 . . . . . . . 136 ILE QD1 . 50190 1 1034 . 1 . 1 136 136 ILE HD13 H 1 0.689 0.001 . . . . . . . 136 ILE QD1 . 50190 1 1035 . 1 . 1 136 136 ILE CA C 13 62.719 0.038 . . . . . . . 136 ILE CA . 50190 1 1036 . 1 . 1 136 136 ILE CB C 13 34.742 0.060 . . . . . . . 136 ILE CB . 50190 1 1037 . 1 . 1 136 136 ILE CG1 C 13 25.527 0.034 . . . . . . . 136 ILE CG1 . 50190 1 1038 . 1 . 1 136 136 ILE CG2 C 13 14.613 0.059 . . . . . . . 136 ILE CG2 . 50190 1 1039 . 1 . 1 136 136 ILE CD1 C 13 10.863 0.063 . . . . . . . 136 ILE CD1 . 50190 1 1040 . 1 . 1 136 136 ILE N N 15 121.069 0.058 . . . . . . . 136 ILE N . 50190 1 1041 . 1 . 1 137 137 HIS H H 1 7.702 0.020 . . . . . . . 137 HIS H . 50190 1 1042 . 1 . 1 137 137 HIS HA H 1 3.955 . . . . . . . . 137 HIS HA . 50190 1 1043 . 1 . 1 137 137 HIS HB2 H 1 3.166 . . . . . . . . 137 HIS HB2 . 50190 1 1044 . 1 . 1 137 137 HIS HB3 H 1 2.924 . . . . . . . . 137 HIS HB3 . 50190 1 1045 . 1 . 1 137 137 HIS CA C 13 58.207 0.028 . . . . . . . 137 HIS CA . 50190 1 1046 . 1 . 1 137 137 HIS CB C 13 28.981 0.016 . . . . . . . 137 HIS CB . 50190 1 1047 . 1 . 1 137 137 HIS N N 15 118.168 0.169 . . . . . . . 137 HIS N . 50190 1 1048 . 1 . 1 138 138 ALA H H 1 7.878 0.023 . . . . . . . 138 ALA H . 50190 1 1049 . 1 . 1 138 138 ALA HA H 1 3.678 0.004 . . . . . . . 138 ALA HA . 50190 1 1050 . 1 . 1 138 138 ALA HB1 H 1 1.434 0.002 . . . . . . . 138 ALA HB . 50190 1 1051 . 1 . 1 138 138 ALA HB2 H 1 1.434 0.002 . . . . . . . 138 ALA HB . 50190 1 1052 . 1 . 1 138 138 ALA HB3 H 1 1.434 0.002 . . . . . . . 138 ALA HB . 50190 1 1053 . 1 . 1 138 138 ALA CA C 13 52.893 0.039 . . . . . . . 138 ALA CA . 50190 1 1054 . 1 . 1 138 138 ALA CB C 13 15.191 0.051 . . . . . . . 138 ALA CB . 50190 1 1055 . 1 . 1 138 138 ALA N N 15 120.450 0.124 . . . . . . . 138 ALA N . 50190 1 1056 . 1 . 1 139 139 GLU H H 1 7.046 0.010 . . . . . . . 139 GLU H . 50190 1 1057 . 1 . 1 139 139 GLU HA H 1 4.859 . . . . . . . . 139 GLU HA . 50190 1 1058 . 1 . 1 139 139 GLU HB2 H 1 2.052 . . . . . . . . 139 GLU HB2 . 50190 1 1059 . 1 . 1 139 139 GLU HB3 H 1 1.938 . . . . . . . . 139 GLU HB3 . 50190 1 1060 . 1 . 1 139 139 GLU HG2 H 1 2.173 . . . . . . . . 139 GLU HG2 . 50190 1 1061 . 1 . 1 139 139 GLU CA C 13 55.860 . . . . . . . . 139 GLU CA . 50190 1 1062 . 1 . 1 139 139 GLU CB C 13 26.850 0.013 . . . . . . . 139 GLU CB . 50190 1 1063 . 1 . 1 139 139 GLU N N 15 115.828 0.054 . . . . . . . 139 GLU N . 50190 1 1064 . 1 . 1 140 140 ILE H H 1 7.752 0.012 . . . . . . . 140 ILE H . 50190 1 1065 . 1 . 1 140 140 ILE HA H 1 3.408 0.005 . . . . . . . 140 ILE HA . 50190 1 1066 . 1 . 1 140 140 ILE HB H 1 1.905 0.004 . . . . . . . 140 ILE HB . 50190 1 1067 . 1 . 1 140 140 ILE HG12 H 1 1.082 . . . . . . . . 140 ILE HG12 . 50190 1 1068 . 1 . 1 140 140 ILE HG21 H 1 0.629 0.006 . . . . . . . 140 ILE QG2 . 50190 1 1069 . 1 . 1 140 140 ILE HG22 H 1 0.629 0.006 . . . . . . . 140 ILE QG2 . 50190 1 1070 . 1 . 1 140 140 ILE HG23 H 1 0.629 0.006 . . . . . . . 140 ILE QG2 . 50190 1 1071 . 1 . 1 140 140 ILE HD11 H 1 0.582 0.002 . . . . . . . 140 ILE QD1 . 50190 1 1072 . 1 . 1 140 140 ILE HD12 H 1 0.582 0.002 . . . . . . . 140 ILE QD1 . 50190 1 1073 . 1 . 1 140 140 ILE HD13 H 1 0.582 0.002 . . . . . . . 140 ILE QD1 . 50190 1 1074 . 1 . 1 140 140 ILE CA C 13 60.780 0.054 . . . . . . . 140 ILE CA . 50190 1 1075 . 1 . 1 140 140 ILE CB C 13 33.817 0.085 . . . . . . . 140 ILE CB . 50190 1 1076 . 1 . 1 140 140 ILE CG1 C 13 25.477 0.052 . . . . . . . 140 ILE CG1 . 50190 1 1077 . 1 . 1 140 140 ILE CG2 C 13 13.807 0.076 . . . . . . . 140 ILE CG2 . 50190 1 1078 . 1 . 1 140 140 ILE CD1 C 13 9.133 0.028 . . . . . . . 140 ILE CD1 . 50190 1 1079 . 1 . 1 140 140 ILE N N 15 122.402 0.102 . . . . . . . 140 ILE N . 50190 1 1080 . 1 . 1 141 141 ALA H H 1 8.805 0.012 . . . . . . . 141 ALA H . 50190 1 1081 . 1 . 1 141 141 ALA HA H 1 3.631 0.008 . . . . . . . 141 ALA HA . 50190 1 1082 . 1 . 1 141 141 ALA HB1 H 1 1.019 . . . . . . . . 141 ALA HB . 50190 1 1083 . 1 . 1 141 141 ALA HB2 H 1 1.019 . . . . . . . . 141 ALA HB . 50190 1 1084 . 1 . 1 141 141 ALA HB3 H 1 1.019 . . . . . . . . 141 ALA HB . 50190 1 1085 . 1 . 1 141 141 ALA CA C 13 52.986 0.064 . . . . . . . 141 ALA CA . 50190 1 1086 . 1 . 1 141 141 ALA CB C 13 14.590 0.064 . . . . . . . 141 ALA CB . 50190 1 1087 . 1 . 1 141 141 ALA N N 15 123.185 0.054 . . . . . . . 141 ALA N . 50190 1 1088 . 1 . 1 142 142 MET H H 1 7.338 0.015 . . . . . . . 142 MET H . 50190 1 1089 . 1 . 1 142 142 MET HA H 1 3.991 0.004 . . . . . . . 142 MET HA . 50190 1 1090 . 1 . 1 142 142 MET HB2 H 1 1.995 . . . . . . . . 142 MET HB2 . 50190 1 1091 . 1 . 1 142 142 MET HB3 H 1 1.995 . . . . . . . . 142 MET HB3 . 50190 1 1092 . 1 . 1 142 142 MET HG2 H 1 2.424 . . . . . . . . 142 MET HG2 . 50190 1 1093 . 1 . 1 142 142 MET HG3 H 1 2.614 . . . . . . . . 142 MET HG3 . 50190 1 1094 . 1 . 1 142 142 MET CB C 13 30.169 0.035 . . . . . . . 142 MET CB . 50190 1 1095 . 1 . 1 142 142 MET N N 15 117.790 0.055 . . . . . . . 142 MET N . 50190 1 1096 . 1 . 1 143 143 MET H H 1 7.168 0.007 . . . . . . . 143 MET H . 50190 1 1097 . 1 . 1 143 143 MET HA H 1 4.138 . . . . . . . . 143 MET HA . 50190 1 1098 . 1 . 1 143 143 MET HB2 H 1 1.857 . . . . . . . . 143 MET HB2 . 50190 1 1099 . 1 . 1 143 143 MET HG2 H 1 2.266 . . . . . . . . 143 MET HG2 . 50190 1 1100 . 1 . 1 143 143 MET CA C 13 55.990 0.010 . . . . . . . 143 MET CA . 50190 1 1101 . 1 . 1 143 143 MET CB C 13 27.904 0.031 . . . . . . . 143 MET CB . 50190 1 1102 . 1 . 1 143 143 MET N N 15 120.539 0.068 . . . . . . . 143 MET N . 50190 1 1103 . 1 . 1 144 144 ALA H H 1 8.555 0.018 . . . . . . . 144 ALA H . 50190 1 1104 . 1 . 1 144 144 ALA HA H 1 3.456 0.003 . . . . . . . 144 ALA HA . 50190 1 1105 . 1 . 1 144 144 ALA HB1 H 1 0.972 0.004 . . . . . . . 144 ALA HB . 50190 1 1106 . 1 . 1 144 144 ALA HB2 H 1 0.972 0.004 . . . . . . . 144 ALA HB . 50190 1 1107 . 1 . 1 144 144 ALA HB3 H 1 0.972 0.004 . . . . . . . 144 ALA HB . 50190 1 1108 . 1 . 1 144 144 ALA CA C 13 51.993 0.045 . . . . . . . 144 ALA CA . 50190 1 1109 . 1 . 1 144 144 ALA CB C 13 15.937 0.147 . . . . . . . 144 ALA CB . 50190 1 1110 . 1 . 1 144 144 ALA N N 15 121.364 0.184 . . . . . . . 144 ALA N . 50190 1 1111 . 1 . 1 145 145 ALA H H 1 7.151 0.013 . . . . . . . 145 ALA H . 50190 1 1112 . 1 . 1 145 145 ALA HA H 1 3.993 0.004 . . . . . . . 145 ALA HA . 50190 1 1113 . 1 . 1 145 145 ALA HB1 H 1 1.389 0.013 . . . . . . . 145 ALA HB . 50190 1 1114 . 1 . 1 145 145 ALA HB2 H 1 1.389 0.013 . . . . . . . 145 ALA HB . 50190 1 1115 . 1 . 1 145 145 ALA HB3 H 1 1.389 0.013 . . . . . . . 145 ALA HB . 50190 1 1116 . 1 . 1 145 145 ALA CA C 13 51.133 0.048 . . . . . . . 145 ALA CA . 50190 1 1117 . 1 . 1 145 145 ALA CB C 13 15.561 0.106 . . . . . . . 145 ALA CB . 50190 1 1118 . 1 . 1 145 145 ALA N N 15 116.135 0.064 . . . . . . . 145 ALA N . 50190 1 1119 . 1 . 1 146 146 LYS H H 1 7.462 0.012 . . . . . . . 146 LYS H . 50190 1 1120 . 1 . 1 146 146 LYS HA H 1 4.232 0.022 . . . . . . . 146 LYS HA . 50190 1 1121 . 1 . 1 146 146 LYS HB2 H 1 1.936 . . . . . . . . 146 LYS HB2 . 50190 1 1122 . 1 . 1 146 146 LYS HB3 H 1 1.599 . . . . . . . . 146 LYS HB3 . 50190 1 1123 . 1 . 1 146 146 LYS HG2 H 1 1.288 . . . . . . . . 146 LYS HG2 . 50190 1 1124 . 1 . 1 146 146 LYS HE2 H 1 2.770 . . . . . . . . 146 LYS HE2 . 50190 1 1125 . 1 . 1 146 146 LYS HE3 H 1 2.620 . . . . . . . . 146 LYS HE3 . 50190 1 1126 . 1 . 1 146 146 LYS CA C 13 53.772 0.040 . . . . . . . 146 LYS CA . 50190 1 1127 . 1 . 1 146 146 LYS CB C 13 30.712 0.270 . . . . . . . 146 LYS CB . 50190 1 1128 . 1 . 1 146 146 LYS CG C 13 26.255 0.005 . . . . . . . 146 LYS CG . 50190 1 1129 . 1 . 1 146 146 LYS CD C 13 21.820 0.044 . . . . . . . 146 LYS CD . 50190 1 1130 . 1 . 1 146 146 LYS N N 15 115.115 0.071 . . . . . . . 146 LYS N . 50190 1 1131 . 1 . 1 147 147 PHE H H 1 7.838 0.017 . . . . . . . 147 PHE H . 50190 1 1132 . 1 . 1 147 147 PHE HA H 1 4.403 0.004 . . . . . . . 147 PHE HA . 50190 1 1133 . 1 . 1 147 147 PHE HB2 H 1 3.408 0.004 . . . . . . . 147 PHE HB2 . 50190 1 1134 . 1 . 1 147 147 PHE HB3 H 1 2.607 0.004 . . . . . . . 147 PHE HB3 . 50190 1 1135 . 1 . 1 147 147 PHE HE1 H 1 7.776 . . . . . . . . 147 PHE QE . 50190 1 1136 . 1 . 1 147 147 PHE HE2 H 1 7.776 . . . . . . . . 147 PHE QE . 50190 1 1137 . 1 . 1 147 147 PHE CA C 13 54.405 0.099 . . . . . . . 147 PHE CA . 50190 1 1138 . 1 . 1 147 147 PHE CB C 13 35.503 0.044 . . . . . . . 147 PHE CB . 50190 1 1139 . 1 . 1 147 147 PHE N N 15 125.474 0.062 . . . . . . . 147 PHE N . 50190 1 1140 . 1 . 1 148 148 GLN H H 1 6.855 0.018 . . . . . . . 148 GLN H . 50190 1 1141 . 1 . 1 148 148 GLN HA H 1 3.863 . . . . . . . . 148 GLN HA . 50190 1 1142 . 1 . 1 148 148 GLN HB2 H 1 1.973 . . . . . . . . 148 GLN HB2 . 50190 1 1143 . 1 . 1 148 148 GLN HB3 H 1 2.063 . . . . . . . . 148 GLN HB3 . 50190 1 1144 . 1 . 1 148 148 GLN CA C 13 54.203 . . . . . . . . 148 GLN CA . 50190 1 1145 . 1 . 1 148 148 GLN CB C 13 28.650 . . . . . . . . 148 GLN CB . 50190 1 1146 . 1 . 1 148 148 GLN N N 15 126.944 0.124 . . . . . . . 148 GLN N . 50190 1 stop_ save_