data_53391 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53391 _Entry.Title ; MTTsa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-10-15 _Entry.Accession_date 2025-10-15 _Entry.Last_release_date 2025-10-15 _Entry.Original_release_date 2025-10-15 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details '23s rRNA methyltransferase in SPOUT family that contains a trefoil knot' _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 Tiange Tao . . . . 53391 2 Patricia Jennings . . . . 53391 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 53391 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 961 53391 '15N chemical shifts' 318 53391 '1H chemical shifts' 629 53391 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 . . 2026-08-03 . original BMRB . 53391 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53391 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41963736 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N backbone assignment of the minimally tied trefoil knot, MTTSA, a 23s rRNA SPOUT methyltransferase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 20 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 16 _Citation.Page_last 16 _Citation.Year 2026 _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 Tiange Tao T. . . . 53391 1 2 Dominique Capraro D. T. . . 53391 1 3 Patricia Jennings P. A. . . 53391 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53391 _Assembly.ID 1 _Assembly.Name Homodimer _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'MTT_SA, Chain A' 1 $entity_1 . . yes native no no . . . 53391 1 2 'MTT_SA, Chain B' 1 $entity_1 . . yes native no no . . . 53391 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53391 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSLKITILAVGKLKEKYWKQ AIAEYEKRLGPYTKIDIIEV PDEKAPENMSDKEIEQVKEK EGQRILAKIKPQSTVITLEI QGKMLSSEGLAQELNQRMTQ GQSDFVFVIGGSNGLHKDVL QRSNYALSFSKMTFPHQMMR VVLIEQVYRAFKIMRGEAYH KEGGSHHHHHH ; _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 171 _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_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 . 53391 1 2 . SER . 53391 1 3 . LEU . 53391 1 4 . LYS . 53391 1 5 . ILE . 53391 1 6 . THR . 53391 1 7 . ILE . 53391 1 8 . LEU . 53391 1 9 . ALA . 53391 1 10 . VAL . 53391 1 11 . GLY . 53391 1 12 . LYS . 53391 1 13 . LEU . 53391 1 14 . LYS . 53391 1 15 . GLU . 53391 1 16 . LYS . 53391 1 17 . TYR . 53391 1 18 . TRP . 53391 1 19 . LYS . 53391 1 20 . GLN . 53391 1 21 . ALA . 53391 1 22 . ILE . 53391 1 23 . ALA . 53391 1 24 . GLU . 53391 1 25 . TYR . 53391 1 26 . GLU . 53391 1 27 . LYS . 53391 1 28 . ARG . 53391 1 29 . LEU . 53391 1 30 . GLY . 53391 1 31 . PRO . 53391 1 32 . TYR . 53391 1 33 . THR . 53391 1 34 . LYS . 53391 1 35 . ILE . 53391 1 36 . ASP . 53391 1 37 . ILE . 53391 1 38 . ILE . 53391 1 39 . GLU . 53391 1 40 . VAL . 53391 1 41 . PRO . 53391 1 42 . ASP . 53391 1 43 . GLU . 53391 1 44 . LYS . 53391 1 45 . ALA . 53391 1 46 . PRO . 53391 1 47 . GLU . 53391 1 48 . ASN . 53391 1 49 . MET . 53391 1 50 . SER . 53391 1 51 . ASP . 53391 1 52 . LYS . 53391 1 53 . GLU . 53391 1 54 . ILE . 53391 1 55 . GLU . 53391 1 56 . GLN . 53391 1 57 . VAL . 53391 1 58 . LYS . 53391 1 59 . GLU . 53391 1 60 . LYS . 53391 1 61 . GLU . 53391 1 62 . GLY . 53391 1 63 . GLN . 53391 1 64 . ARG . 53391 1 65 . ILE . 53391 1 66 . LEU . 53391 1 67 . ALA . 53391 1 68 . LYS . 53391 1 69 . ILE . 53391 1 70 . LYS . 53391 1 71 . PRO . 53391 1 72 . GLN . 53391 1 73 . SER . 53391 1 74 . THR . 53391 1 75 . VAL . 53391 1 76 . ILE . 53391 1 77 . THR . 53391 1 78 . LEU . 53391 1 79 . GLU . 53391 1 80 . ILE . 53391 1 81 . GLN . 53391 1 82 . GLY . 53391 1 83 . LYS . 53391 1 84 . MET . 53391 1 85 . LEU . 53391 1 86 . SER . 53391 1 87 . SER . 53391 1 88 . GLU . 53391 1 89 . GLY . 53391 1 90 . LEU . 53391 1 91 . ALA . 53391 1 92 . GLN . 53391 1 93 . GLU . 53391 1 94 . LEU . 53391 1 95 . ASN . 53391 1 96 . GLN . 53391 1 97 . ARG . 53391 1 98 . MET . 53391 1 99 . THR . 53391 1 100 . GLN . 53391 1 101 . GLY . 53391 1 102 . GLN . 53391 1 103 . SER . 53391 1 104 . ASP . 53391 1 105 . PHE . 53391 1 106 . VAL . 53391 1 107 . PHE . 53391 1 108 . VAL . 53391 1 109 . ILE . 53391 1 110 . GLY . 53391 1 111 . GLY . 53391 1 112 . SER . 53391 1 113 . ASN . 53391 1 114 . GLY . 53391 1 115 . LEU . 53391 1 116 . HIS . 53391 1 117 . LYS . 53391 1 118 . ASP . 53391 1 119 . VAL . 53391 1 120 . LEU . 53391 1 121 . GLN . 53391 1 122 . ARG . 53391 1 123 . SER . 53391 1 124 . ASN . 53391 1 125 . TYR . 53391 1 126 . ALA . 53391 1 127 . LEU . 53391 1 128 . SER . 53391 1 129 . PHE . 53391 1 130 . SER . 53391 1 131 . LYS . 53391 1 132 . MET . 53391 1 133 . THR . 53391 1 134 . PHE . 53391 1 135 . PRO . 53391 1 136 . HIS . 53391 1 137 . GLN . 53391 1 138 . MET . 53391 1 139 . MET . 53391 1 140 . ARG . 53391 1 141 . VAL . 53391 1 142 . VAL . 53391 1 143 . LEU . 53391 1 144 . ILE . 53391 1 145 . GLU . 53391 1 146 . GLN . 53391 1 147 . VAL . 53391 1 148 . TYR . 53391 1 149 . ARG . 53391 1 150 . ALA . 53391 1 151 . PHE . 53391 1 152 . LYS . 53391 1 153 . ILE . 53391 1 154 . MET . 53391 1 155 . ARG . 53391 1 156 . GLY . 53391 1 157 . GLU . 53391 1 158 . ALA . 53391 1 159 . TYR . 53391 1 160 . HIS . 53391 1 161 . LYS . 53391 1 162 . GLU . 53391 1 163 . GLY . 53391 1 164 . GLY . 53391 1 165 . SER . 53391 1 166 . HIS . 53391 1 167 . HIS . 53391 1 168 . HIS . 53391 1 169 . HIS . 53391 1 170 . HIS . 53391 1 171 . HIS . 53391 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 53391 1 . SER 2 2 53391 1 . LEU 3 3 53391 1 . LYS 4 4 53391 1 . ILE 5 5 53391 1 . THR 6 6 53391 1 . ILE 7 7 53391 1 . LEU 8 8 53391 1 . ALA 9 9 53391 1 . VAL 10 10 53391 1 . GLY 11 11 53391 1 . LYS 12 12 53391 1 . LEU 13 13 53391 1 . LYS 14 14 53391 1 . GLU 15 15 53391 1 . LYS 16 16 53391 1 . TYR 17 17 53391 1 . TRP 18 18 53391 1 . LYS 19 19 53391 1 . GLN 20 20 53391 1 . ALA 21 21 53391 1 . ILE 22 22 53391 1 . ALA 23 23 53391 1 . GLU 24 24 53391 1 . TYR 25 25 53391 1 . GLU 26 26 53391 1 . LYS 27 27 53391 1 . ARG 28 28 53391 1 . LEU 29 29 53391 1 . GLY 30 30 53391 1 . PRO 31 31 53391 1 . TYR 32 32 53391 1 . THR 33 33 53391 1 . LYS 34 34 53391 1 . ILE 35 35 53391 1 . ASP 36 36 53391 1 . ILE 37 37 53391 1 . ILE 38 38 53391 1 . GLU 39 39 53391 1 . VAL 40 40 53391 1 . PRO 41 41 53391 1 . ASP 42 42 53391 1 . GLU 43 43 53391 1 . LYS 44 44 53391 1 . ALA 45 45 53391 1 . PRO 46 46 53391 1 . GLU 47 47 53391 1 . ASN 48 48 53391 1 . MET 49 49 53391 1 . SER 50 50 53391 1 . ASP 51 51 53391 1 . LYS 52 52 53391 1 . GLU 53 53 53391 1 . ILE 54 54 53391 1 . GLU 55 55 53391 1 . GLN 56 56 53391 1 . VAL 57 57 53391 1 . LYS 58 58 53391 1 . GLU 59 59 53391 1 . LYS 60 60 53391 1 . GLU 61 61 53391 1 . GLY 62 62 53391 1 . GLN 63 63 53391 1 . ARG 64 64 53391 1 . ILE 65 65 53391 1 . LEU 66 66 53391 1 . ALA 67 67 53391 1 . LYS 68 68 53391 1 . ILE 69 69 53391 1 . LYS 70 70 53391 1 . PRO 71 71 53391 1 . GLN 72 72 53391 1 . SER 73 73 53391 1 . THR 74 74 53391 1 . VAL 75 75 53391 1 . ILE 76 76 53391 1 . THR 77 77 53391 1 . LEU 78 78 53391 1 . GLU 79 79 53391 1 . ILE 80 80 53391 1 . GLN 81 81 53391 1 . GLY 82 82 53391 1 . LYS 83 83 53391 1 . MET 84 84 53391 1 . LEU 85 85 53391 1 . SER 86 86 53391 1 . SER 87 87 53391 1 . GLU 88 88 53391 1 . GLY 89 89 53391 1 . LEU 90 90 53391 1 . ALA 91 91 53391 1 . GLN 92 92 53391 1 . GLU 93 93 53391 1 . LEU 94 94 53391 1 . ASN 95 95 53391 1 . GLN 96 96 53391 1 . ARG 97 97 53391 1 . MET 98 98 53391 1 . THR 99 99 53391 1 . GLN 100 100 53391 1 . GLY 101 101 53391 1 . GLN 102 102 53391 1 . SER 103 103 53391 1 . ASP 104 104 53391 1 . PHE 105 105 53391 1 . VAL 106 106 53391 1 . PHE 107 107 53391 1 . VAL 108 108 53391 1 . ILE 109 109 53391 1 . GLY 110 110 53391 1 . GLY 111 111 53391 1 . SER 112 112 53391 1 . ASN 113 113 53391 1 . GLY 114 114 53391 1 . LEU 115 115 53391 1 . HIS 116 116 53391 1 . LYS 117 117 53391 1 . ASP 118 118 53391 1 . VAL 119 119 53391 1 . LEU 120 120 53391 1 . GLN 121 121 53391 1 . ARG 122 122 53391 1 . SER 123 123 53391 1 . ASN 124 124 53391 1 . TYR 125 125 53391 1 . ALA 126 126 53391 1 . LEU 127 127 53391 1 . SER 128 128 53391 1 . PHE 129 129 53391 1 . SER 130 130 53391 1 . LYS 131 131 53391 1 . MET 132 132 53391 1 . THR 133 133 53391 1 . PHE 134 134 53391 1 . PRO 135 135 53391 1 . HIS 136 136 53391 1 . GLN 137 137 53391 1 . MET 138 138 53391 1 . MET 139 139 53391 1 . ARG 140 140 53391 1 . VAL 141 141 53391 1 . VAL 142 142 53391 1 . LEU 143 143 53391 1 . ILE 144 144 53391 1 . GLU 145 145 53391 1 . GLN 146 146 53391 1 . VAL 147 147 53391 1 . TYR 148 148 53391 1 . ARG 149 149 53391 1 . ALA 150 150 53391 1 . PHE 151 151 53391 1 . LYS 152 152 53391 1 . ILE 153 153 53391 1 . MET 154 154 53391 1 . ARG 155 155 53391 1 . GLY 156 156 53391 1 . GLU 157 157 53391 1 . ALA 158 158 53391 1 . TYR 159 159 53391 1 . HIS 160 160 53391 1 . LYS 161 161 53391 1 . GLU 162 162 53391 1 . GLY 163 163 53391 1 . GLY 164 164 53391 1 . SER 165 165 53391 1 . HIS 166 166 53391 1 . HIS 167 167 53391 1 . HIS 168 168 53391 1 . HIS 169 169 53391 1 . HIS 170 170 53391 1 . HIS 171 171 53391 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 53391 _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 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 53391 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 53391 _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 . 'purified from the natural source' . . . . . . . . . . . . . . . . 53391 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53391 _Sample.ID 1 _Sample.Name 'MTT_SA 2H13C15N' _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 MTT_SA '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 500 . . uM . . . . 53391 1 2 NaOAc-d3 [U-2H] . . . . . . 75 . . mM . . . . 53391 1 3 glycerol 'natural abundance' . . . . . . 1 . . % . . . . 53391 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53391 _Sample.ID 2 _Sample.Name 'MTT_SA 13C15N' _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 MTT_SA '[U-13C; U-15N]' . . 1 $entity_1 . . 1000 . . uM . . . . 53391 2 2 NaOAc-d3 [U-2H] . . . . . . 75 . . mM . . . . 53391 2 3 glycerol 'natural abundance' . . . . . . 1 . . % . . . . 53391 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53391 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'MTT_SA 2H 13C 15N' _Sample_condition_list.Details ; U-2H, U-13C, U-15N Buffer: 75mM NaOAc-d3, pH 5.6, 1% glycerol ; 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' 0.075 . M 53391 1 pH 5.6 . pH 53391 1 pressure 1 . atm 53391 1 temperature 305 . K 53391 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 53391 _Sample_condition_list.ID 2 _Sample_condition_list.Name 'MTT_SA 13C 15N' _Sample_condition_list.Details ; U-13C, U-15N Buffer: 75mM NaOAc-d3, pH 5.6, 1% glycerol ; 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' 0.075 . M 53391 2 pH 5.6 . pH 53391 2 pressure 1 . atm 53391 2 temperature 305 . K 53391 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53391 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53391 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53391 _Software.ID 2 _Software.Type . _Software.Name NMRFx _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53391 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53391 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53391 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53391 _Software.ID 4 _Software.Type . _Software.Name TALOS-N _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 53391 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53391 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53391 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker Avance Neo 600 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _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 53391 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53391 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53391 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53391 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53391 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53391 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 53391 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '1H 13C 15N' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 53391 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53391 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53391 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 53391 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'MTT_SA Backbone Assignment' _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 HSQC' . . . 53391 1 2 '3D HNCACB' . . . 53391 1 3 '3D HNCO' . . . 53391 1 4 '3D HN(CA)CO' . . . 53391 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53391 1 2 $software_2 . . 53391 1 3 $software_3 . . 53391 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 2 2 SER C C 13 170.456 0.01 . . . . . . . 2 SER C . 53391 1 2 . 1 . 1 2 2 SER CA C 13 57.287 0.00 . . . . . . . 2 SER CA . 53391 1 3 . 1 . 1 2 2 SER CB C 13 62.767 0.00 . . . . . . . 2 SER CB . 53391 1 4 . 1 . 1 3 3 LEU H H 1 8.424 0.00 . . . . . . . 3 LEU H . 53391 1 5 . 1 . 1 3 3 LEU C C 13 175.974 0.01 . . . . . . . 3 LEU C . 53391 1 6 . 1 . 1 3 3 LEU CA C 13 55.314 0.07 . . . . . . . 3 LEU CA . 53391 1 7 . 1 . 1 3 3 LEU CB C 13 42.745 0.01 . . . . . . . 3 LEU CB . 53391 1 8 . 1 . 1 3 3 LEU N N 15 123.897 0.01 . . . . . . . 3 LEU N . 53391 1 9 . 1 . 1 4 4 LYS H H 1 8.821 0.00 . . . . . . . 4 LYS H . 53391 1 10 . 1 . 1 4 4 LYS C C 13 173.842 0.02 . . . . . . . 4 LYS C . 53391 1 11 . 1 . 1 4 4 LYS CA C 13 56.034 0.03 . . . . . . . 4 LYS CA . 53391 1 12 . 1 . 1 4 4 LYS CB C 13 34.593 0.01 . . . . . . . 4 LYS CB . 53391 1 13 . 1 . 1 4 4 LYS N N 15 126.697 0.01 . . . . . . . 4 LYS N . 53391 1 14 . 1 . 1 5 5 ILE H H 1 8.417 0.00 . . . . . . . 5 ILE H . 53391 1 15 . 1 . 1 5 5 ILE C C 13 174.599 0.02 . . . . . . . 5 ILE C . 53391 1 16 . 1 . 1 5 5 ILE CA C 13 58.936 0.05 . . . . . . . 5 ILE CA . 53391 1 17 . 1 . 1 5 5 ILE CB C 13 38.616 0.00 . . . . . . . 5 ILE CB . 53391 1 18 . 1 . 1 5 5 ILE N N 15 125.041 0.02 . . . . . . . 5 ILE N . 53391 1 19 . 1 . 1 6 6 THR H H 1 9.117 0.00 . . . . . . . 6 THR H . 53391 1 20 . 1 . 1 6 6 THR C C 13 174.053 0.03 . . . . . . . 6 THR C . 53391 1 21 . 1 . 1 6 6 THR CA C 13 60.998 0.20 . . . . . . . 6 THR CA . 53391 1 22 . 1 . 1 6 6 THR CB C 13 70.614 0.01 . . . . . . . 6 THR CB . 53391 1 23 . 1 . 1 6 6 THR N N 15 124.620 0.01 . . . . . . . 6 THR N . 53391 1 24 . 1 . 1 7 7 ILE H H 1 9.145 0.01 . . . . . . . 7 ILE H . 53391 1 25 . 1 . 1 7 7 ILE C C 13 172.377 0.02 . . . . . . . 7 ILE C . 53391 1 26 . 1 . 1 7 7 ILE CA C 13 60.508 0.07 . . . . . . . 7 ILE CA . 53391 1 27 . 1 . 1 7 7 ILE CB C 13 38.020 0.01 . . . . . . . 7 ILE CB . 53391 1 28 . 1 . 1 7 7 ILE N N 15 127.598 0.00 . . . . . . . 7 ILE N . 53391 1 29 . 1 . 1 8 8 LEU H H 1 9.310 0.00 . . . . . . . 8 LEU H . 53391 1 30 . 1 . 1 8 8 LEU C C 13 173.178 0.02 . . . . . . . 8 LEU C . 53391 1 31 . 1 . 1 8 8 LEU CA C 13 53.090 0.01 . . . . . . . 8 LEU CA . 53391 1 32 . 1 . 1 8 8 LEU CB C 13 43.205 0.02 . . . . . . . 8 LEU CB . 53391 1 33 . 1 . 1 8 8 LEU N N 15 132.159 0.01 . . . . . . . 8 LEU N . 53391 1 34 . 1 . 1 9 9 ALA H H 1 8.619 0.00 . . . . . . . 9 ALA H . 53391 1 35 . 1 . 1 9 9 ALA C C 13 175.157 0.01 . . . . . . . 9 ALA C . 53391 1 36 . 1 . 1 9 9 ALA CA C 13 48.986 0.06 . . . . . . . 9 ALA CA . 53391 1 37 . 1 . 1 9 9 ALA CB C 13 21.377 0.03 . . . . . . . 9 ALA CB . 53391 1 38 . 1 . 1 9 9 ALA N N 15 126.167 0.02 . . . . . . . 9 ALA N . 53391 1 39 . 1 . 1 10 10 VAL H H 1 7.564 0.00 . . . . . . . 10 VAL H . 53391 1 40 . 1 . 1 10 10 VAL C C 13 176.883 0.01 . . . . . . . 10 VAL C . 53391 1 41 . 1 . 1 10 10 VAL CA C 13 61.816 0.00 . . . . . . . 10 VAL CA . 53391 1 42 . 1 . 1 10 10 VAL CB C 13 31.050 0.00 . . . . . . . 10 VAL CB . 53391 1 43 . 1 . 1 10 10 VAL N N 15 121.726 0.00 . . . . . . . 10 VAL N . 53391 1 44 . 1 . 1 11 11 GLY H H 1 8.964 0.00 . . . . . . . 11 GLY H . 53391 1 45 . 1 . 1 11 11 GLY C C 13 171.914 0.00 . . . . . . . 11 GLY C . 53391 1 46 . 1 . 1 11 11 GLY CA C 13 43.160 0.01 . . . . . . . 11 GLY CA . 53391 1 47 . 1 . 1 11 11 GLY N N 15 117.895 0.01 . . . . . . . 11 GLY N . 53391 1 48 . 1 . 1 12 12 LYS H H 1 8.161 0.00 . . . . . . . 12 LYS H . 53391 1 49 . 1 . 1 12 12 LYS C C 13 177.321 0.01 . . . . . . . 12 LYS C . 53391 1 50 . 1 . 1 12 12 LYS CA C 13 54.739 0.03 . . . . . . . 12 LYS CA . 53391 1 51 . 1 . 1 12 12 LYS CB C 13 32.062 0.00 . . . . . . . 12 LYS CB . 53391 1 52 . 1 . 1 12 12 LYS N N 15 121.207 0.01 . . . . . . . 12 LYS N . 53391 1 53 . 1 . 1 13 13 LEU H H 1 8.790 0.00 . . . . . . . 13 LEU H . 53391 1 54 . 1 . 1 13 13 LEU C C 13 177.200 0.01 . . . . . . . 13 LEU C . 53391 1 55 . 1 . 1 13 13 LEU CA C 13 55.011 0.14 . . . . . . . 13 LEU CA . 53391 1 56 . 1 . 1 13 13 LEU CB C 13 41.278 0.00 . . . . . . . 13 LEU CB . 53391 1 57 . 1 . 1 13 13 LEU N N 15 126.453 0.02 . . . . . . . 13 LEU N . 53391 1 58 . 1 . 1 14 14 LYS H H 1 8.870 0.00 . . . . . . . 14 LYS H . 53391 1 59 . 1 . 1 14 14 LYS C C 13 177.194 0.06 . . . . . . . 14 LYS C . 53391 1 60 . 1 . 1 14 14 LYS CA C 13 57.017 0.09 . . . . . . . 14 LYS CA . 53391 1 61 . 1 . 1 14 14 LYS CB C 13 33.006 0.08 . . . . . . . 14 LYS CB . 53391 1 62 . 1 . 1 14 14 LYS N N 15 124.304 0.01 . . . . . . . 14 LYS N . 53391 1 63 . 1 . 1 15 15 GLU H H 1 8.604 0.00 . . . . . . . 15 GLU H . 53391 1 64 . 1 . 1 15 15 GLU C C 13 177.876 0.03 . . . . . . . 15 GLU C . 53391 1 65 . 1 . 1 15 15 GLU CA C 13 57.517 0.06 . . . . . . . 15 GLU CA . 53391 1 66 . 1 . 1 15 15 GLU CB C 13 27.584 0.02 . . . . . . . 15 GLU CB . 53391 1 67 . 1 . 1 15 15 GLU N N 15 119.900 0.00 . . . . . . . 15 GLU N . 53391 1 68 . 1 . 1 16 16 LYS H H 1 8.752 0.00 . . . . . . . 16 LYS H . 53391 1 69 . 1 . 1 16 16 LYS C C 13 177.927 0.01 . . . . . . . 16 LYS C . 53391 1 70 . 1 . 1 16 16 LYS CA C 13 59.287 0.13 . . . . . . . 16 LYS CA . 53391 1 71 . 1 . 1 16 16 LYS CB C 13 31.106 0.07 . . . . . . . 16 LYS CB . 53391 1 72 . 1 . 1 16 16 LYS N N 15 124.806 0.02 . . . . . . . 16 LYS N . 53391 1 73 . 1 . 1 17 17 TYR H H 1 6.427 0.00 . . . . . . . 17 TYR H . 53391 1 74 . 1 . 1 17 17 TYR C C 13 177.739 0.00 . . . . . . . 17 TYR C . 53391 1 75 . 1 . 1 17 17 TYR CA C 13 57.337 0.00 . . . . . . . 17 TYR CA . 53391 1 76 . 1 . 1 17 17 TYR CB C 13 35.582 0.00 . . . . . . . 17 TYR CB . 53391 1 77 . 1 . 1 17 17 TYR N N 15 112.109 0.00 . . . . . . . 17 TYR N . 53391 1 78 . 1 . 1 18 18 TRP H H 1 10.440 0.00 . . . . . . . 18 TRP H . 53391 1 79 . 1 . 1 18 18 TRP C C 13 178.140 0.00 . . . . . . . 18 TRP C . 53391 1 80 . 1 . 1 18 18 TRP CA C 13 57.700 0.00 . . . . . . . 18 TRP CA . 53391 1 81 . 1 . 1 18 18 TRP CB C 13 28.528 0.00 . . . . . . . 18 TRP CB . 53391 1 82 . 1 . 1 18 18 TRP N N 15 130.336 0.00 . . . . . . . 18 TRP N . 53391 1 83 . 1 . 1 19 19 LYS H H 1 7.304 0.00 . . . . . . . 19 LYS H . 53391 1 84 . 1 . 1 19 19 LYS C C 13 179.758 0.01 . . . . . . . 19 LYS C . 53391 1 85 . 1 . 1 19 19 LYS CA C 13 59.526 0.05 . . . . . . . 19 LYS CA . 53391 1 86 . 1 . 1 19 19 LYS CB C 13 30.834 0.12 . . . . . . . 19 LYS CB . 53391 1 87 . 1 . 1 19 19 LYS N N 15 117.800 0.00 . . . . . . . 19 LYS N . 53391 1 88 . 1 . 1 20 20 GLN H H 1 8.045 0.00 . . . . . . . 20 GLN H . 53391 1 89 . 1 . 1 20 20 GLN C C 13 177.712 0.02 . . . . . . . 20 GLN C . 53391 1 90 . 1 . 1 20 20 GLN CA C 13 58.024 0.05 . . . . . . . 20 GLN CA . 53391 1 91 . 1 . 1 20 20 GLN CB C 13 27.578 0.00 . . . . . . . 20 GLN CB . 53391 1 92 . 1 . 1 20 20 GLN N N 15 118.853 0.01 . . . . . . . 20 GLN N . 53391 1 93 . 1 . 1 21 21 ALA H H 1 7.032 0.00 . . . . . . . 21 ALA H . 53391 1 94 . 1 . 1 21 21 ALA C C 13 178.980 0.01 . . . . . . . 21 ALA C . 53391 1 95 . 1 . 1 21 21 ALA CA C 13 54.351 0.03 . . . . . . . 21 ALA CA . 53391 1 96 . 1 . 1 21 21 ALA CB C 13 17.675 0.03 . . . . . . . 21 ALA CB . 53391 1 97 . 1 . 1 21 21 ALA N N 15 122.499 0.00 . . . . . . . 21 ALA N . 53391 1 98 . 1 . 1 22 22 ILE H H 1 7.708 0.00 . . . . . . . 22 ILE H . 53391 1 99 . 1 . 1 22 22 ILE C C 13 177.346 0.01 . . . . . . . 22 ILE C . 53391 1 100 . 1 . 1 22 22 ILE CA C 13 64.390 0.00 . . . . . . . 22 ILE CA . 53391 1 101 . 1 . 1 22 22 ILE CB C 13 36.331 0.07 . . . . . . . 22 ILE CB . 53391 1 102 . 1 . 1 22 22 ILE N N 15 116.014 0.00 . . . . . . . 22 ILE N . 53391 1 103 . 1 . 1 23 23 ALA H H 1 7.804 0.00 . . . . . . . 23 ALA H . 53391 1 104 . 1 . 1 23 23 ALA C C 13 180.668 0.00 . . . . . . . 23 ALA C . 53391 1 105 . 1 . 1 23 23 ALA CA C 13 54.301 0.03 . . . . . . . 23 ALA CA . 53391 1 106 . 1 . 1 23 23 ALA CB C 13 17.212 0.00 . . . . . . . 23 ALA CB . 53391 1 107 . 1 . 1 23 23 ALA N N 15 121.198 0.00 . . . . . . . 23 ALA N . 53391 1 108 . 1 . 1 24 24 GLU H H 1 7.405 0.00 . . . . . . . 24 GLU H . 53391 1 109 . 1 . 1 24 24 GLU C C 13 178.875 0.01 . . . . . . . 24 GLU C . 53391 1 110 . 1 . 1 24 24 GLU CA C 13 58.517 0.01 . . . . . . . 24 GLU CA . 53391 1 111 . 1 . 1 24 24 GLU CB C 13 27.535 0.05 . . . . . . . 24 GLU CB . 53391 1 112 . 1 . 1 24 24 GLU N N 15 118.505 0.01 . . . . . . . 24 GLU N . 53391 1 113 . 1 . 1 25 25 TYR H H 1 7.341 0.00 . . . . . . . 25 TYR H . 53391 1 114 . 1 . 1 25 25 TYR C C 13 177.670 0.01 . . . . . . . 25 TYR C . 53391 1 115 . 1 . 1 25 25 TYR CA C 13 62.804 0.04 . . . . . . . 25 TYR CA . 53391 1 116 . 1 . 1 25 25 TYR CB C 13 38.034 0.03 . . . . . . . 25 TYR CB . 53391 1 117 . 1 . 1 25 25 TYR N N 15 117.447 0.00 . . . . . . . 25 TYR N . 53391 1 118 . 1 . 1 26 26 GLU H H 1 8.947 0.00 . . . . . . . 26 GLU H . 53391 1 119 . 1 . 1 26 26 GLU C C 13 179.503 0.02 . . . . . . . 26 GLU C . 53391 1 120 . 1 . 1 26 26 GLU CA C 13 60.380 0.10 . . . . . . . 26 GLU CA . 53391 1 121 . 1 . 1 26 26 GLU CB C 13 28.694 0.10 . . . . . . . 26 GLU CB . 53391 1 122 . 1 . 1 26 26 GLU N N 15 121.336 0.01 . . . . . . . 26 GLU N . 53391 1 123 . 1 . 1 27 27 LYS H H 1 7.574 0.00 . . . . . . . 27 LYS H . 53391 1 124 . 1 . 1 27 27 LYS C C 13 180.154 0.02 . . . . . . . 27 LYS C . 53391 1 125 . 1 . 1 27 27 LYS CA C 13 58.864 0.06 . . . . . . . 27 LYS CA . 53391 1 126 . 1 . 1 27 27 LYS CB C 13 30.950 0.05 . . . . . . . 27 LYS CB . 53391 1 127 . 1 . 1 27 27 LYS N N 15 119.320 0.01 . . . . . . . 27 LYS N . 53391 1 128 . 1 . 1 28 28 ARG H H 1 7.519 0.00 . . . . . . . 28 ARG H . 53391 1 129 . 1 . 1 28 28 ARG C C 13 177.499 0.01 . . . . . . . 28 ARG C . 53391 1 130 . 1 . 1 28 28 ARG CA C 13 57.991 0.06 . . . . . . . 28 ARG CA . 53391 1 131 . 1 . 1 28 28 ARG CB C 13 28.708 0.04 . . . . . . . 28 ARG CB . 53391 1 132 . 1 . 1 28 28 ARG N N 15 118.963 0.02 . . . . . . . 28 ARG N . 53391 1 133 . 1 . 1 29 29 LEU H H 1 7.772 0.01 . . . . . . . 29 LEU H . 53391 1 134 . 1 . 1 29 29 LEU C C 13 177.162 0.00 . . . . . . . 29 LEU C . 53391 1 135 . 1 . 1 29 29 LEU CA C 13 56.113 0.01 . . . . . . . 29 LEU CA . 53391 1 136 . 1 . 1 29 29 LEU CB C 13 42.380 0.01 . . . . . . . 29 LEU CB . 53391 1 137 . 1 . 1 29 29 LEU N N 15 117.265 0.04 . . . . . . . 29 LEU N . 53391 1 138 . 1 . 1 30 30 GLY H H 1 7.435 0.00 . . . . . . . 30 GLY H . 53391 1 139 . 1 . 1 30 30 GLY C C 13 172.793 0.00 . . . . . . . 30 GLY C . 53391 1 140 . 1 . 1 30 30 GLY CA C 13 47.971 0.00 . . . . . . . 30 GLY CA . 53391 1 141 . 1 . 1 30 30 GLY N N 15 107.363 0.01 . . . . . . . 30 GLY N . 53391 1 142 . 1 . 1 31 31 PRO C C 13 176.626 0.01 . . . . . . . 31 PRO C . 53391 1 143 . 1 . 1 31 31 PRO CA C 13 64.019 0.00 . . . . . . . 31 PRO CA . 53391 1 144 . 1 . 1 31 31 PRO CB C 13 30.832 0.00 . . . . . . . 31 PRO CB . 53391 1 145 . 1 . 1 32 32 TYR H H 1 8.113 0.00 . . . . . . . 32 TYR H . 53391 1 146 . 1 . 1 32 32 TYR C C 13 175.562 0.01 . . . . . . . 32 TYR C . 53391 1 147 . 1 . 1 32 32 TYR CA C 13 58.191 0.01 . . . . . . . 32 TYR CA . 53391 1 148 . 1 . 1 32 32 TYR CB C 13 38.376 0.02 . . . . . . . 32 TYR CB . 53391 1 149 . 1 . 1 32 32 TYR N N 15 114.897 0.01 . . . . . . . 32 TYR N . 53391 1 150 . 1 . 1 33 33 THR H H 1 7.742 0.00 . . . . . . . 33 THR H . 53391 1 151 . 1 . 1 33 33 THR C C 13 171.446 0.01 . . . . . . . 33 THR C . 53391 1 152 . 1 . 1 33 33 THR CA C 13 60.404 0.05 . . . . . . . 33 THR CA . 53391 1 153 . 1 . 1 33 33 THR CB C 13 67.775 0.13 . . . . . . . 33 THR CB . 53391 1 154 . 1 . 1 33 33 THR N N 15 113.481 0.04 . . . . . . . 33 THR N . 53391 1 155 . 1 . 1 34 34 LYS H H 1 7.642 0.00 . . . . . . . 34 LYS H . 53391 1 156 . 1 . 1 34 34 LYS C C 13 176.985 0.01 . . . . . . . 34 LYS C . 53391 1 157 . 1 . 1 34 34 LYS CA C 13 56.038 0.07 . . . . . . . 34 LYS CA . 53391 1 158 . 1 . 1 34 34 LYS CB C 13 31.630 0.05 . . . . . . . 34 LYS CB . 53391 1 159 . 1 . 1 34 34 LYS N N 15 125.159 0.00 . . . . . . . 34 LYS N . 53391 1 160 . 1 . 1 35 35 ILE H H 1 8.630 0.00 . . . . . . . 35 ILE H . 53391 1 161 . 1 . 1 35 35 ILE C C 13 173.327 0.01 . . . . . . . 35 ILE C . 53391 1 162 . 1 . 1 35 35 ILE CA C 13 58.001 0.00 . . . . . . . 35 ILE CA . 53391 1 163 . 1 . 1 35 35 ILE CB C 13 40.007 0.03 . . . . . . . 35 ILE CB . 53391 1 164 . 1 . 1 35 35 ILE N N 15 126.337 0.00 . . . . . . . 35 ILE N . 53391 1 165 . 1 . 1 36 36 ASP H H 1 8.486 0.00 . . . . . . . 36 ASP H . 53391 1 166 . 1 . 1 36 36 ASP C C 13 174.337 0.01 . . . . . . . 36 ASP C . 53391 1 167 . 1 . 1 36 36 ASP CA C 13 52.653 0.05 . . . . . . . 36 ASP CA . 53391 1 168 . 1 . 1 36 36 ASP CB C 13 43.345 0.01 . . . . . . . 36 ASP CB . 53391 1 169 . 1 . 1 36 36 ASP N N 15 126.995 0.01 . . . . . . . 36 ASP N . 53391 1 170 . 1 . 1 37 37 ILE H H 1 8.546 0.00 . . . . . . . 37 ILE H . 53391 1 171 . 1 . 1 37 37 ILE C C 13 175.187 0.03 . . . . . . . 37 ILE C . 53391 1 172 . 1 . 1 37 37 ILE CA C 13 60.593 0.06 . . . . . . . 37 ILE CA . 53391 1 173 . 1 . 1 37 37 ILE CB C 13 37.348 0.00 . . . . . . . 37 ILE CB . 53391 1 174 . 1 . 1 37 37 ILE N N 15 124.101 0.00 . . . . . . . 37 ILE N . 53391 1 175 . 1 . 1 38 38 ILE H H 1 9.347 0.00 . . . . . . . 38 ILE H . 53391 1 176 . 1 . 1 38 38 ILE C C 13 174.020 0.00 . . . . . . . 38 ILE C . 53391 1 177 . 1 . 1 38 38 ILE CA C 13 59.841 0.02 . . . . . . . 38 ILE CA . 53391 1 178 . 1 . 1 38 38 ILE CB C 13 39.460 0.03 . . . . . . . 38 ILE CB . 53391 1 179 . 1 . 1 38 38 ILE N N 15 131.211 0.03 . . . . . . . 38 ILE N . 53391 1 180 . 1 . 1 39 39 GLU H H 1 8.357 0.00 . . . . . . . 39 GLU H . 53391 1 181 . 1 . 1 39 39 GLU C C 13 176.934 0.01 . . . . . . . 39 GLU C . 53391 1 182 . 1 . 1 39 39 GLU CA C 13 53.724 0.04 . . . . . . . 39 GLU CA . 53391 1 183 . 1 . 1 39 39 GLU CB C 13 29.870 0.10 . . . . . . . 39 GLU CB . 53391 1 184 . 1 . 1 39 39 GLU N N 15 124.699 0.00 . . . . . . . 39 GLU N . 53391 1 185 . 1 . 1 40 40 VAL H H 1 8.880 0.00 . . . . . . . 40 VAL H . 53391 1 186 . 1 . 1 40 40 VAL C C 13 173.409 0.00 . . . . . . . 40 VAL C . 53391 1 187 . 1 . 1 40 40 VAL CA C 13 57.700 0.00 . . . . . . . 40 VAL CA . 53391 1 188 . 1 . 1 40 40 VAL CB C 13 32.054 0.00 . . . . . . . 40 VAL CB . 53391 1 189 . 1 . 1 40 40 VAL N N 15 122.999 0.00 . . . . . . . 40 VAL N . 53391 1 190 . 1 . 1 41 41 PRO C C 13 176.145 0.00 . . . . . . . 41 PRO C . 53391 1 191 . 1 . 1 41 41 PRO CA C 13 63.736 0.00 . . . . . . . 41 PRO CA . 53391 1 192 . 1 . 1 41 41 PRO CB C 13 31.216 0.00 . . . . . . . 41 PRO CB . 53391 1 193 . 1 . 1 42 42 ASP H H 1 8.683 0.00 . . . . . . . 42 ASP H . 53391 1 194 . 1 . 1 42 42 ASP C C 13 176.120 0.01 . . . . . . . 42 ASP C . 53391 1 195 . 1 . 1 42 42 ASP CA C 13 51.853 0.00 . . . . . . . 42 ASP CA . 53391 1 196 . 1 . 1 42 42 ASP CB C 13 40.502 0.04 . . . . . . . 42 ASP CB . 53391 1 197 . 1 . 1 42 42 ASP N N 15 119.205 0.01 . . . . . . . 42 ASP N . 53391 1 198 . 1 . 1 43 43 GLU H H 1 9.525 0.00 . . . . . . . 43 GLU H . 53391 1 199 . 1 . 1 43 43 GLU C C 13 175.972 0.02 . . . . . . . 43 GLU C . 53391 1 200 . 1 . 1 43 43 GLU CA C 13 54.486 0.03 . . . . . . . 43 GLU CA . 53391 1 201 . 1 . 1 43 43 GLU CB C 13 30.163 0.20 . . . . . . . 43 GLU CB . 53391 1 202 . 1 . 1 43 43 GLU N N 15 122.799 0.00 . . . . . . . 43 GLU N . 53391 1 203 . 1 . 1 44 44 LYS H H 1 8.250 0.00 . . . . . . . 44 LYS H . 53391 1 204 . 1 . 1 44 44 LYS C C 13 175.528 0.01 . . . . . . . 44 LYS C . 53391 1 205 . 1 . 1 44 44 LYS CA C 13 56.300 0.02 . . . . . . . 44 LYS CA . 53391 1 206 . 1 . 1 44 44 LYS CB C 13 31.216 0.07 . . . . . . . 44 LYS CB . 53391 1 207 . 1 . 1 44 44 LYS N N 15 125.395 0.00 . . . . . . . 44 LYS N . 53391 1 208 . 1 . 1 45 45 ALA H H 1 8.200 0.00 . . . . . . . 45 ALA H . 53391 1 209 . 1 . 1 45 45 ALA C C 13 174.935 0.00 . . . . . . . 45 ALA C . 53391 1 210 . 1 . 1 45 45 ALA CA C 13 49.506 0.00 . . . . . . . 45 ALA CA . 53391 1 211 . 1 . 1 45 45 ALA CB C 13 18.691 0.00 . . . . . . . 45 ALA CB . 53391 1 212 . 1 . 1 45 45 ALA N N 15 127.960 0.02 . . . . . . . 45 ALA N . 53391 1 213 . 1 . 1 46 46 PRO C C 13 176.146 0.01 . . . . . . . 46 PRO C . 53391 1 214 . 1 . 1 46 46 PRO CA C 13 61.946 0.00 . . . . . . . 46 PRO CA . 53391 1 215 . 1 . 1 46 46 PRO CB C 13 31.403 0.00 . . . . . . . 46 PRO CB . 53391 1 216 . 1 . 1 47 47 GLU H H 1 8.342 0.00 . . . . . . . 47 GLU H . 53391 1 217 . 1 . 1 47 47 GLU C C 13 176.693 0.01 . . . . . . . 47 GLU C . 53391 1 218 . 1 . 1 47 47 GLU CA C 13 57.577 0.01 . . . . . . . 47 GLU CA . 53391 1 219 . 1 . 1 47 47 GLU CB C 13 29.215 0.01 . . . . . . . 47 GLU CB . 53391 1 220 . 1 . 1 47 47 GLU N N 15 119.084 0.00 . . . . . . . 47 GLU N . 53391 1 221 . 1 . 1 48 48 ASN H H 1 8.218 0.00 . . . . . . . 48 ASN H . 53391 1 222 . 1 . 1 48 48 ASN C C 13 174.577 0.01 . . . . . . . 48 ASN C . 53391 1 223 . 1 . 1 48 48 ASN CA C 13 52.633 0.04 . . . . . . . 48 ASN CA . 53391 1 224 . 1 . 1 48 48 ASN CB C 13 37.678 0.02 . . . . . . . 48 ASN CB . 53391 1 225 . 1 . 1 48 48 ASN N N 15 116.018 0.00 . . . . . . . 48 ASN N . 53391 1 226 . 1 . 1 49 49 MET H H 1 7.873 0.00 . . . . . . . 49 MET H . 53391 1 227 . 1 . 1 49 49 MET C C 13 176.152 0.01 . . . . . . . 49 MET C . 53391 1 228 . 1 . 1 49 49 MET CA C 13 56.030 0.01 . . . . . . . 49 MET CA . 53391 1 229 . 1 . 1 49 49 MET CB C 13 34.405 0.03 . . . . . . . 49 MET CB . 53391 1 230 . 1 . 1 49 49 MET N N 15 119.732 0.01 . . . . . . . 49 MET N . 53391 1 231 . 1 . 1 50 50 SER H H 1 8.667 0.00 . . . . . . . 50 SER H . 53391 1 232 . 1 . 1 50 50 SER C C 13 174.767 0.02 . . . . . . . 50 SER C . 53391 1 233 . 1 . 1 50 50 SER CA C 13 56.826 0.01 . . . . . . . 50 SER CA . 53391 1 234 . 1 . 1 50 50 SER CB C 13 64.743 0.03 . . . . . . . 50 SER CB . 53391 1 235 . 1 . 1 50 50 SER N N 15 118.240 0.00 . . . . . . . 50 SER N . 53391 1 236 . 1 . 1 51 51 ASP H H 1 8.758 0.00 . . . . . . . 51 ASP H . 53391 1 237 . 1 . 1 51 51 ASP C C 13 178.777 0.01 . . . . . . . 51 ASP C . 53391 1 238 . 1 . 1 51 51 ASP CA C 13 57.566 0.12 . . . . . . . 51 ASP CA . 53391 1 239 . 1 . 1 51 51 ASP CB C 13 39.343 0.04 . . . . . . . 51 ASP CB . 53391 1 240 . 1 . 1 51 51 ASP N N 15 121.472 0.00 . . . . . . . 51 ASP N . 53391 1 241 . 1 . 1 52 52 LYS H H 1 8.194 0.00 . . . . . . . 52 LYS H . 53391 1 242 . 1 . 1 52 52 LYS C C 13 179.207 0.01 . . . . . . . 52 LYS C . 53391 1 243 . 1 . 1 52 52 LYS CA C 13 58.850 0.11 . . . . . . . 52 LYS CA . 53391 1 244 . 1 . 1 52 52 LYS CB C 13 31.331 0.02 . . . . . . . 52 LYS CB . 53391 1 245 . 1 . 1 52 52 LYS N N 15 119.966 0.00 . . . . . . . 52 LYS N . 53391 1 246 . 1 . 1 53 53 GLU H H 1 7.572 0.00 . . . . . . . 53 GLU H . 53391 1 247 . 1 . 1 53 53 GLU C C 13 179.268 0.02 . . . . . . . 53 GLU C . 53391 1 248 . 1 . 1 53 53 GLU CA C 13 58.810 0.07 . . . . . . . 53 GLU CA . 53391 1 249 . 1 . 1 53 53 GLU CB C 13 28.898 0.14 . . . . . . . 53 GLU CB . 53391 1 250 . 1 . 1 53 53 GLU N N 15 120.501 0.00 . . . . . . . 53 GLU N . 53391 1 251 . 1 . 1 54 54 ILE H H 1 8.270 0.00 . . . . . . . 54 ILE H . 53391 1 252 . 1 . 1 54 54 ILE C C 13 178.109 0.02 . . . . . . . 54 ILE C . 53391 1 253 . 1 . 1 54 54 ILE CA C 13 64.710 0.01 . . . . . . . 54 ILE CA . 53391 1 254 . 1 . 1 54 54 ILE CB C 13 36.829 0.08 . . . . . . . 54 ILE CB . 53391 1 255 . 1 . 1 54 54 ILE N N 15 121.789 0.01 . . . . . . . 54 ILE N . 53391 1 256 . 1 . 1 55 55 GLU H H 1 7.810 0.00 . . . . . . . 55 GLU H . 53391 1 257 . 1 . 1 55 55 GLU C C 13 178.750 0.01 . . . . . . . 55 GLU C . 53391 1 258 . 1 . 1 55 55 GLU CA C 13 59.160 0.14 . . . . . . . 55 GLU CA . 53391 1 259 . 1 . 1 55 55 GLU CB C 13 28.007 0.02 . . . . . . . 55 GLU CB . 53391 1 260 . 1 . 1 55 55 GLU N N 15 119.490 0.03 . . . . . . . 55 GLU N . 53391 1 261 . 1 . 1 56 56 GLN H H 1 7.574 0.00 . . . . . . . 56 GLN H . 53391 1 262 . 1 . 1 56 56 GLN C C 13 178.896 0.01 . . . . . . . 56 GLN C . 53391 1 263 . 1 . 1 56 56 GLN CA C 13 58.824 0.01 . . . . . . . 56 GLN CA . 53391 1 264 . 1 . 1 56 56 GLN CB C 13 27.679 0.05 . . . . . . . 56 GLN CB . 53391 1 265 . 1 . 1 56 56 GLN N N 15 118.501 0.00 . . . . . . . 56 GLN N . 53391 1 266 . 1 . 1 57 57 VAL H H 1 7.832 0.01 . . . . . . . 57 VAL H . 53391 1 267 . 1 . 1 57 57 VAL C C 13 178.137 0.01 . . . . . . . 57 VAL C . 53391 1 268 . 1 . 1 57 57 VAL CA C 13 66.489 0.11 . . . . . . . 57 VAL CA . 53391 1 269 . 1 . 1 57 57 VAL CB C 13 30.527 0.09 . . . . . . . 57 VAL CB . 53391 1 270 . 1 . 1 57 57 VAL N N 15 120.782 0.02 . . . . . . . 57 VAL N . 53391 1 271 . 1 . 1 58 58 LYS H H 1 8.144 0.01 . . . . . . . 58 LYS H . 53391 1 272 . 1 . 1 58 58 LYS C C 13 180.342 0.01 . . . . . . . 58 LYS C . 53391 1 273 . 1 . 1 58 58 LYS CA C 13 59.633 0.06 . . . . . . . 58 LYS CA . 53391 1 274 . 1 . 1 58 58 LYS CB C 13 31.226 0.06 . . . . . . . 58 LYS CB . 53391 1 275 . 1 . 1 58 58 LYS N N 15 117.968 0.01 . . . . . . . 58 LYS N . 53391 1 276 . 1 . 1 59 59 GLU H H 1 8.685 0.00 . . . . . . . 59 GLU H . 53391 1 277 . 1 . 1 59 59 GLU C C 13 178.413 0.02 . . . . . . . 59 GLU C . 53391 1 278 . 1 . 1 59 59 GLU CA C 13 59.174 0.16 . . . . . . . 59 GLU CA . 53391 1 279 . 1 . 1 59 59 GLU CB C 13 28.337 0.07 . . . . . . . 59 GLU CB . 53391 1 280 . 1 . 1 59 59 GLU N N 15 123.514 0.01 . . . . . . . 59 GLU N . 53391 1 281 . 1 . 1 60 60 LYS H H 1 7.827 0.00 . . . . . . . 60 LYS H . 53391 1 282 . 1 . 1 60 60 LYS C C 13 180.225 0.00 . . . . . . . 60 LYS C . 53391 1 283 . 1 . 1 60 60 LYS CA C 13 59.543 0.19 . . . . . . . 60 LYS CA . 53391 1 284 . 1 . 1 60 60 LYS CB C 13 31.407 0.00 . . . . . . . 60 LYS CB . 53391 1 285 . 1 . 1 60 60 LYS N N 15 120.554 0.00 . . . . . . . 60 LYS N . 53391 1 286 . 1 . 1 61 61 GLU H H 1 7.871 0.00 . . . . . . . 61 GLU H . 53391 1 287 . 1 . 1 61 61 GLU C C 13 178.768 0.02 . . . . . . . 61 GLU C . 53391 1 288 . 1 . 1 61 61 GLU CA C 13 59.405 0.07 . . . . . . . 61 GLU CA . 53391 1 289 . 1 . 1 61 61 GLU CB C 13 29.066 0.03 . . . . . . . 61 GLU CB . 53391 1 290 . 1 . 1 61 61 GLU N N 15 117.963 0.02 . . . . . . . 61 GLU N . 53391 1 291 . 1 . 1 62 62 GLY H H 1 8.459 0.00 . . . . . . . 62 GLY H . 53391 1 292 . 1 . 1 62 62 GLY C C 13 175.750 0.00 . . . . . . . 62 GLY C . 53391 1 293 . 1 . 1 62 62 GLY CA C 13 47.205 0.04 . . . . . . . 62 GLY CA . 53391 1 294 . 1 . 1 62 62 GLY N N 15 107.737 0.02 . . . . . . . 62 GLY N . 53391 1 295 . 1 . 1 63 63 GLN H H 1 7.981 0.00 . . . . . . . 63 GLN H . 53391 1 296 . 1 . 1 63 63 GLN C C 13 179.621 0.02 . . . . . . . 63 GLN C . 53391 1 297 . 1 . 1 63 63 GLN CA C 13 58.251 0.05 . . . . . . . 63 GLN CA . 53391 1 298 . 1 . 1 63 63 GLN CB C 13 27.395 0.05 . . . . . . . 63 GLN CB . 53391 1 299 . 1 . 1 63 63 GLN N N 15 120.077 0.02 . . . . . . . 63 GLN N . 53391 1 300 . 1 . 1 64 64 ARG H H 1 7.127 0.00 . . . . . . . 64 ARG H . 53391 1 301 . 1 . 1 64 64 ARG C C 13 178.934 0.01 . . . . . . . 64 ARG C . 53391 1 302 . 1 . 1 64 64 ARG CA C 13 59.009 0.02 . . . . . . . 64 ARG CA . 53391 1 303 . 1 . 1 64 64 ARG CB C 13 29.620 0.02 . . . . . . . 64 ARG CB . 53391 1 304 . 1 . 1 64 64 ARG N N 15 118.295 0.01 . . . . . . . 64 ARG N . 53391 1 305 . 1 . 1 65 65 ILE H H 1 7.787 0.00 . . . . . . . 65 ILE H . 53391 1 306 . 1 . 1 65 65 ILE C C 13 177.857 0.01 . . . . . . . 65 ILE C . 53391 1 307 . 1 . 1 65 65 ILE CA C 13 64.877 0.01 . . . . . . . 65 ILE CA . 53391 1 308 . 1 . 1 65 65 ILE CB C 13 37.645 0.06 . . . . . . . 65 ILE CB . 53391 1 309 . 1 . 1 65 65 ILE N N 15 119.731 0.01 . . . . . . . 65 ILE N . 53391 1 310 . 1 . 1 66 66 LEU H H 1 8.479 0.00 . . . . . . . 66 LEU H . 53391 1 311 . 1 . 1 66 66 LEU C C 13 179.466 0.02 . . . . . . . 66 LEU C . 53391 1 312 . 1 . 1 66 66 LEU CA C 13 57.591 0.06 . . . . . . . 66 LEU CA . 53391 1 313 . 1 . 1 66 66 LEU CB C 13 39.925 0.04 . . . . . . . 66 LEU CB . 53391 1 314 . 1 . 1 66 66 LEU N N 15 117.154 0.01 . . . . . . . 66 LEU N . 53391 1 315 . 1 . 1 67 67 ALA H H 1 7.339 0.00 . . . . . . . 67 ALA H . 53391 1 316 . 1 . 1 67 67 ALA C C 13 178.851 0.01 . . . . . . . 67 ALA C . 53391 1 317 . 1 . 1 67 67 ALA CA C 13 53.508 0.04 . . . . . . . 67 ALA CA . 53391 1 318 . 1 . 1 67 67 ALA CB C 13 17.615 0.00 . . . . . . . 67 ALA CB . 53391 1 319 . 1 . 1 67 67 ALA N N 15 119.093 0.02 . . . . . . . 67 ALA N . 53391 1 320 . 1 . 1 68 68 LYS H H 1 7.398 0.01 . . . . . . . 68 LYS H . 53391 1 321 . 1 . 1 68 68 LYS C C 13 175.624 0.02 . . . . . . . 68 LYS C . 53391 1 322 . 1 . 1 68 68 LYS CA C 13 53.864 0.07 . . . . . . . 68 LYS CA . 53391 1 323 . 1 . 1 68 68 LYS CB C 13 32.325 0.04 . . . . . . . 68 LYS CB . 53391 1 324 . 1 . 1 68 68 LYS N N 15 115.025 0.02 . . . . . . . 68 LYS N . 53391 1 325 . 1 . 1 69 69 ILE H H 1 7.164 0.00 . . . . . . . 69 ILE H . 53391 1 326 . 1 . 1 69 69 ILE C C 13 175.568 0.03 . . . . . . . 69 ILE C . 53391 1 327 . 1 . 1 69 69 ILE CA C 13 61.041 0.02 . . . . . . . 69 ILE CA . 53391 1 328 . 1 . 1 69 69 ILE CB C 13 38.492 0.03 . . . . . . . 69 ILE CB . 53391 1 329 . 1 . 1 69 69 ILE N N 15 120.617 0.02 . . . . . . . 69 ILE N . 53391 1 330 . 1 . 1 70 70 LYS H H 1 8.660 0.00 . . . . . . . 70 LYS H . 53391 1 331 . 1 . 1 70 70 LYS C C 13 176.728 0.00 . . . . . . . 70 LYS C . 53391 1 332 . 1 . 1 70 70 LYS CA C 13 53.913 0.00 . . . . . . . 70 LYS CA . 53391 1 333 . 1 . 1 70 70 LYS CB C 13 30.248 0.00 . . . . . . . 70 LYS CB . 53391 1 334 . 1 . 1 70 70 LYS N N 15 129.701 0.00 . . . . . . . 70 LYS N . 53391 1 335 . 1 . 1 71 71 PRO C C 13 177.399 0.00 . . . . . . . 71 PRO C . 53391 1 336 . 1 . 1 71 71 PRO CA C 13 64.975 0.00 . . . . . . . 71 PRO CA . 53391 1 337 . 1 . 1 71 71 PRO CB C 13 30.972 0.00 . . . . . . . 71 PRO CB . 53391 1 338 . 1 . 1 72 72 GLN H H 1 8.041 0.00 . . . . . . . 72 GLN H . 53391 1 339 . 1 . 1 72 72 GLN C C 13 176.576 0.00 . . . . . . . 72 GLN C . 53391 1 340 . 1 . 1 72 72 GLN CA C 13 56.145 0.10 . . . . . . . 72 GLN CA . 53391 1 341 . 1 . 1 72 72 GLN CB C 13 27.032 0.06 . . . . . . . 72 GLN CB . 53391 1 342 . 1 . 1 72 72 GLN N N 15 111.801 0.00 . . . . . . . 72 GLN N . 53391 1 343 . 1 . 1 73 73 SER H H 1 7.313 0.00 . . . . . . . 73 SER H . 53391 1 344 . 1 . 1 73 73 SER C C 13 174.685 0.02 . . . . . . . 73 SER C . 53391 1 345 . 1 . 1 73 73 SER CA C 13 60.004 0.03 . . . . . . . 73 SER CA . 53391 1 346 . 1 . 1 73 73 SER CB C 13 62.492 0.06 . . . . . . . 73 SER CB . 53391 1 347 . 1 . 1 73 73 SER N N 15 116.138 0.01 . . . . . . . 73 SER N . 53391 1 348 . 1 . 1 74 74 THR H H 1 8.801 0.00 . . . . . . . 74 THR H . 53391 1 349 . 1 . 1 74 74 THR C C 13 172.629 0.01 . . . . . . . 74 THR C . 53391 1 350 . 1 . 1 74 74 THR CA C 13 62.593 0.05 . . . . . . . 74 THR CA . 53391 1 351 . 1 . 1 74 74 THR CB C 13 68.510 0.00 . . . . . . . 74 THR CB . 53391 1 352 . 1 . 1 74 74 THR N N 15 124.942 0.02 . . . . . . . 74 THR N . 53391 1 353 . 1 . 1 75 75 VAL H H 1 9.802 0.01 . . . . . . . 75 VAL H . 53391 1 354 . 1 . 1 75 75 VAL C C 13 174.341 0.03 . . . . . . . 75 VAL C . 53391 1 355 . 1 . 1 75 75 VAL CA C 13 60.743 0.04 . . . . . . . 75 VAL CA . 53391 1 356 . 1 . 1 75 75 VAL CB C 13 32.157 0.06 . . . . . . . 75 VAL CB . 53391 1 357 . 1 . 1 75 75 VAL N N 15 131.484 0.04 . . . . . . . 75 VAL N . 53391 1 358 . 1 . 1 76 76 ILE H H 1 9.390 0.00 . . . . . . . 76 ILE H . 53391 1 359 . 1 . 1 76 76 ILE C C 13 176.212 0.01 . . . . . . . 76 ILE C . 53391 1 360 . 1 . 1 76 76 ILE CA C 13 59.184 0.10 . . . . . . . 76 ILE CA . 53391 1 361 . 1 . 1 76 76 ILE CB C 13 38.248 0.02 . . . . . . . 76 ILE CB . 53391 1 362 . 1 . 1 76 76 ILE N N 15 131.102 0.01 . . . . . . . 76 ILE N . 53391 1 363 . 1 . 1 77 77 THR H H 1 8.918 0.00 . . . . . . . 77 THR H . 53391 1 364 . 1 . 1 77 77 THR C C 13 173.511 0.01 . . . . . . . 77 THR C . 53391 1 365 . 1 . 1 77 77 THR CA C 13 58.765 0.08 . . . . . . . 77 THR CA . 53391 1 366 . 1 . 1 77 77 THR CB C 13 67.449 0.00 . . . . . . . 77 THR CB . 53391 1 367 . 1 . 1 77 77 THR N N 15 116.320 0.00 . . . . . . . 77 THR N . 53391 1 368 . 1 . 1 78 78 LEU H H 1 7.902 0.00 . . . . . . . 78 LEU H . 53391 1 369 . 1 . 1 78 78 LEU C C 13 176.120 0.02 . . . . . . . 78 LEU C . 53391 1 370 . 1 . 1 78 78 LEU CA C 13 53.180 0.00 . . . . . . . 78 LEU CA . 53391 1 371 . 1 . 1 78 78 LEU CB C 13 37.950 0.03 . . . . . . . 78 LEU CB . 53391 1 372 . 1 . 1 78 78 LEU N N 15 125.746 0.00 . . . . . . . 78 LEU N . 53391 1 373 . 1 . 1 79 79 GLU H H 1 8.110 0.00 . . . . . . . 79 GLU H . 53391 1 374 . 1 . 1 79 79 GLU C C 13 177.020 0.00 . . . . . . . 79 GLU C . 53391 1 375 . 1 . 1 79 79 GLU CA C 13 54.243 0.08 . . . . . . . 79 GLU CA . 53391 1 376 . 1 . 1 79 79 GLU CB C 13 33.410 0.01 . . . . . . . 79 GLU CB . 53391 1 377 . 1 . 1 79 79 GLU N N 15 123.701 0.00 . . . . . . . 79 GLU N . 53391 1 378 . 1 . 1 80 80 ILE H H 1 8.651 0.00 . . . . . . . 80 ILE H . 53391 1 379 . 1 . 1 80 80 ILE C C 13 177.687 0.00 . . . . . . . 80 ILE C . 53391 1 380 . 1 . 1 80 80 ILE CA C 13 64.489 0.03 . . . . . . . 80 ILE CA . 53391 1 381 . 1 . 1 80 80 ILE CB C 13 37.245 0.00 . . . . . . . 80 ILE CB . 53391 1 382 . 1 . 1 80 80 ILE N N 15 125.798 0.01 . . . . . . . 80 ILE N . 53391 1 383 . 1 . 1 81 81 GLN H H 1 8.180 0.01 . . . . . . . 81 GLN H . 53391 1 384 . 1 . 1 81 81 GLN C C 13 175.829 0.01 . . . . . . . 81 GLN C . 53391 1 385 . 1 . 1 81 81 GLN CA C 13 55.026 0.00 . . . . . . . 81 GLN CA . 53391 1 386 . 1 . 1 81 81 GLN CB C 13 26.425 0.02 . . . . . . . 81 GLN CB . 53391 1 387 . 1 . 1 81 81 GLN N N 15 117.622 0.01 . . . . . . . 81 GLN N . 53391 1 388 . 1 . 1 82 82 GLY H H 1 7.450 0.00 . . . . . . . 82 GLY H . 53391 1 389 . 1 . 1 82 82 GLY C C 13 171.186 0.01 . . . . . . . 82 GLY C . 53391 1 390 . 1 . 1 82 82 GLY CA C 13 43.640 0.05 . . . . . . . 82 GLY CA . 53391 1 391 . 1 . 1 82 82 GLY N N 15 106.437 0.02 . . . . . . . 82 GLY N . 53391 1 392 . 1 . 1 83 83 LYS H H 1 7.933 0.00 . . . . . . . 83 LYS H . 53391 1 393 . 1 . 1 83 83 LYS C C 13 176.650 0.02 . . . . . . . 83 LYS C . 53391 1 394 . 1 . 1 83 83 LYS CA C 13 56.300 0.03 . . . . . . . 83 LYS CA . 53391 1 395 . 1 . 1 83 83 LYS CB C 13 31.531 0.00 . . . . . . . 83 LYS CB . 53391 1 396 . 1 . 1 83 83 LYS N N 15 120.088 0.01 . . . . . . . 83 LYS N . 53391 1 397 . 1 . 1 84 84 MET H H 1 8.466 0.00 . . . . . . . 84 MET H . 53391 1 398 . 1 . 1 84 84 MET C C 13 175.460 0.02 . . . . . . . 84 MET C . 53391 1 399 . 1 . 1 84 84 MET CA C 13 54.671 0.02 . . . . . . . 84 MET CA . 53391 1 400 . 1 . 1 84 84 MET CB C 13 31.840 0.04 . . . . . . . 84 MET CB . 53391 1 401 . 1 . 1 84 84 MET N N 15 125.000 0.02 . . . . . . . 84 MET N . 53391 1 402 . 1 . 1 85 85 LEU H H 1 7.826 0.00 . . . . . . . 85 LEU H . 53391 1 403 . 1 . 1 85 85 LEU C C 13 176.468 0.01 . . . . . . . 85 LEU C . 53391 1 404 . 1 . 1 85 85 LEU CA C 13 53.182 0.00 . . . . . . . 85 LEU CA . 53391 1 405 . 1 . 1 85 85 LEU CB C 13 44.961 0.01 . . . . . . . 85 LEU CB . 53391 1 406 . 1 . 1 85 85 LEU N N 15 124.650 0.00 . . . . . . . 85 LEU N . 53391 1 407 . 1 . 1 86 86 SER H H 1 8.067 0.00 . . . . . . . 86 SER H . 53391 1 408 . 1 . 1 86 86 SER C C 13 175.126 0.01 . . . . . . . 86 SER C . 53391 1 409 . 1 . 1 86 86 SER CA C 13 56.198 0.04 . . . . . . . 86 SER CA . 53391 1 410 . 1 . 1 86 86 SER CB C 13 64.751 0.06 . . . . . . . 86 SER CB . 53391 1 411 . 1 . 1 86 86 SER N N 15 112.236 0.05 . . . . . . . 86 SER N . 53391 1 412 . 1 . 1 87 87 SER H H 1 8.899 0.00 . . . . . . . 87 SER H . 53391 1 413 . 1 . 1 87 87 SER C C 13 176.169 0.01 . . . . . . . 87 SER C . 53391 1 414 . 1 . 1 87 87 SER CA C 13 56.509 0.04 . . . . . . . 87 SER CA . 53391 1 415 . 1 . 1 87 87 SER CB C 13 61.771 0.02 . . . . . . . 87 SER CB . 53391 1 416 . 1 . 1 87 87 SER N N 15 119.308 0.02 . . . . . . . 87 SER N . 53391 1 417 . 1 . 1 88 88 GLU H H 1 8.973 0.00 . . . . . . . 88 GLU H . 53391 1 418 . 1 . 1 88 88 GLU C C 13 178.757 0.01 . . . . . . . 88 GLU C . 53391 1 419 . 1 . 1 88 88 GLU CA C 13 59.913 0.02 . . . . . . . 88 GLU CA . 53391 1 420 . 1 . 1 88 88 GLU CB C 13 27.590 0.04 . . . . . . . 88 GLU CB . 53391 1 421 . 1 . 1 88 88 GLU N N 15 121.580 0.03 . . . . . . . 88 GLU N . 53391 1 422 . 1 . 1 89 89 GLY H H 1 8.390 0.00 . . . . . . . 89 GLY H . 53391 1 423 . 1 . 1 89 89 GLY C C 13 176.627 0.01 . . . . . . . 89 GLY C . 53391 1 424 . 1 . 1 89 89 GLY CA C 13 46.464 0.00 . . . . . . . 89 GLY CA . 53391 1 425 . 1 . 1 89 89 GLY N N 15 110.896 0.01 . . . . . . . 89 GLY N . 53391 1 426 . 1 . 1 90 90 LEU H H 1 8.313 0.00 . . . . . . . 90 LEU H . 53391 1 427 . 1 . 1 90 90 LEU C C 13 177.527 0.02 . . . . . . . 90 LEU C . 53391 1 428 . 1 . 1 90 90 LEU CA C 13 57.636 0.02 . . . . . . . 90 LEU CA . 53391 1 429 . 1 . 1 90 90 LEU CB C 13 39.578 0.04 . . . . . . . 90 LEU CB . 53391 1 430 . 1 . 1 90 90 LEU N N 15 125.628 0.00 . . . . . . . 90 LEU N . 53391 1 431 . 1 . 1 91 91 ALA H H 1 7.653 0.00 . . . . . . . 91 ALA H . 53391 1 432 . 1 . 1 91 91 ALA C C 13 178.659 0.02 . . . . . . . 91 ALA C . 53391 1 433 . 1 . 1 91 91 ALA CA C 13 55.498 0.12 . . . . . . . 91 ALA CA . 53391 1 434 . 1 . 1 91 91 ALA CB C 13 17.910 0.03 . . . . . . . 91 ALA CB . 53391 1 435 . 1 . 1 91 91 ALA N N 15 121.070 0.00 . . . . . . . 91 ALA N . 53391 1 436 . 1 . 1 92 92 GLN H H 1 8.168 0.01 . . . . . . . 92 GLN H . 53391 1 437 . 1 . 1 92 92 GLN C C 13 178.265 0.01 . . . . . . . 92 GLN C . 53391 1 438 . 1 . 1 92 92 GLN CA C 13 59.639 0.14 . . . . . . . 92 GLN CA . 53391 1 439 . 1 . 1 92 92 GLN CB C 13 27.600 0.02 . . . . . . . 92 GLN CB . 53391 1 440 . 1 . 1 92 92 GLN N N 15 116.601 0.00 . . . . . . . 92 GLN N . 53391 1 441 . 1 . 1 93 93 GLU H H 1 7.944 0.00 . . . . . . . 93 GLU H . 53391 1 442 . 1 . 1 93 93 GLU C C 13 178.942 0.02 . . . . . . . 93 GLU C . 53391 1 443 . 1 . 1 93 93 GLU CA C 13 58.635 0.12 . . . . . . . 93 GLU CA . 53391 1 444 . 1 . 1 93 93 GLU CB C 13 28.529 0.00 . . . . . . . 93 GLU CB . 53391 1 445 . 1 . 1 93 93 GLU N N 15 121.662 0.01 . . . . . . . 93 GLU N . 53391 1 446 . 1 . 1 94 94 LEU H H 1 8.032 0.00 . . . . . . . 94 LEU H . 53391 1 447 . 1 . 1 94 94 LEU C C 13 178.341 0.00 . . . . . . . 94 LEU C . 53391 1 448 . 1 . 1 94 94 LEU CA C 13 57.700 0.11 . . . . . . . 94 LEU CA . 53391 1 449 . 1 . 1 94 94 LEU CB C 13 40.077 0.05 . . . . . . . 94 LEU CB . 53391 1 450 . 1 . 1 94 94 LEU N N 15 116.726 0.02 . . . . . . . 94 LEU N . 53391 1 451 . 1 . 1 95 95 ASN H H 1 8.528 0.00 . . . . . . . 95 ASN H . 53391 1 452 . 1 . 1 95 95 ASN C C 13 178.503 0.04 . . . . . . . 95 ASN C . 53391 1 453 . 1 . 1 95 95 ASN CA C 13 56.797 0.03 . . . . . . . 95 ASN CA . 53391 1 454 . 1 . 1 95 95 ASN CB C 13 39.227 0.04 . . . . . . . 95 ASN CB . 53391 1 455 . 1 . 1 95 95 ASN N N 15 117.967 0.01 . . . . . . . 95 ASN N . 53391 1 456 . 1 . 1 96 96 GLN H H 1 8.573 0.00 . . . . . . . 96 GLN H . 53391 1 457 . 1 . 1 96 96 GLN C C 13 178.786 0.01 . . . . . . . 96 GLN C . 53391 1 458 . 1 . 1 96 96 GLN CA C 13 59.169 0.23 . . . . . . . 96 GLN CA . 53391 1 459 . 1 . 1 96 96 GLN CB C 13 27.079 0.01 . . . . . . . 96 GLN CB . 53391 1 460 . 1 . 1 96 96 GLN N N 15 120.257 0.01 . . . . . . . 96 GLN N . 53391 1 461 . 1 . 1 97 97 ARG H H 1 7.551 0.00 . . . . . . . 97 ARG H . 53391 1 462 . 1 . 1 97 97 ARG C C 13 179.259 0.01 . . . . . . . 97 ARG C . 53391 1 463 . 1 . 1 97 97 ARG CA C 13 59.814 0.06 . . . . . . . 97 ARG CA . 53391 1 464 . 1 . 1 97 97 ARG CB C 13 28.470 0.02 . . . . . . . 97 ARG CB . 53391 1 465 . 1 . 1 97 97 ARG N N 15 119.428 0.02 . . . . . . . 97 ARG N . 53391 1 466 . 1 . 1 98 98 MET H H 1 8.733 0.00 . . . . . . . 98 MET H . 53391 1 467 . 1 . 1 98 98 MET C C 13 181.293 0.02 . . . . . . . 98 MET C . 53391 1 468 . 1 . 1 98 98 MET CA C 13 58.898 0.02 . . . . . . . 98 MET CA . 53391 1 469 . 1 . 1 98 98 MET CB C 13 32.168 0.03 . . . . . . . 98 MET CB . 53391 1 470 . 1 . 1 98 98 MET N N 15 121.081 0.02 . . . . . . . 98 MET N . 53391 1 471 . 1 . 1 99 99 THR H H 1 8.505 0.00 . . . . . . . 99 THR H . 53391 1 472 . 1 . 1 99 99 THR C C 13 175.814 0.01 . . . . . . . 99 THR C . 53391 1 473 . 1 . 1 99 99 THR CA C 13 65.700 0.08 . . . . . . . 99 THR CA . 53391 1 474 . 1 . 1 99 99 THR CB C 13 68.474 0.02 . . . . . . . 99 THR CB . 53391 1 475 . 1 . 1 99 99 THR N N 15 117.275 0.02 . . . . . . . 99 THR N . 53391 1 476 . 1 . 1 100 100 GLN H H 1 7.410 0.00 . . . . . . . 100 GLN H . 53391 1 477 . 1 . 1 100 100 GLN C C 13 176.252 0.01 . . . . . . . 100 GLN C . 53391 1 478 . 1 . 1 100 100 GLN CA C 13 55.828 0.02 . . . . . . . 100 GLN CA . 53391 1 479 . 1 . 1 100 100 GLN CB C 13 27.877 0.03 . . . . . . . 100 GLN CB . 53391 1 480 . 1 . 1 100 100 GLN N N 15 119.431 0.02 . . . . . . . 100 GLN N . 53391 1 481 . 1 . 1 101 101 GLY H H 1 7.626 0.00 . . . . . . . 101 GLY H . 53391 1 482 . 1 . 1 101 101 GLY C C 13 174.731 0.01 . . . . . . . 101 GLY C . 53391 1 483 . 1 . 1 101 101 GLY CA C 13 44.884 0.01 . . . . . . . 101 GLY CA . 53391 1 484 . 1 . 1 101 101 GLY N N 15 106.413 0.01 . . . . . . . 101 GLY N . 53391 1 485 . 1 . 1 102 102 GLN H H 1 7.926 0.00 . . . . . . . 102 GLN H . 53391 1 486 . 1 . 1 102 102 GLN C C 13 175.062 0.02 . . . . . . . 102 GLN C . 53391 1 487 . 1 . 1 102 102 GLN CA C 13 56.093 0.08 . . . . . . . 102 GLN CA . 53391 1 488 . 1 . 1 102 102 GLN CB C 13 27.712 0.04 . . . . . . . 102 GLN CB . 53391 1 489 . 1 . 1 102 102 GLN N N 15 122.099 0.00 . . . . . . . 102 GLN N . 53391 1 490 . 1 . 1 103 103 SER H H 1 8.195 0.00 . . . . . . . 103 SER H . 53391 1 491 . 1 . 1 103 103 SER C C 13 171.740 0.02 . . . . . . . 103 SER C . 53391 1 492 . 1 . 1 103 103 SER CA C 13 57.471 0.09 . . . . . . . 103 SER CA . 53391 1 493 . 1 . 1 103 103 SER CB C 13 65.147 0.04 . . . . . . . 103 SER CB . 53391 1 494 . 1 . 1 103 103 SER N N 15 116.598 0.01 . . . . . . . 103 SER N . 53391 1 495 . 1 . 1 104 104 ASP H H 1 7.622 0.00 . . . . . . . 104 ASP H . 53391 1 496 . 1 . 1 104 104 ASP HD2 H 1 7.620 0.00 . . . . . . . 104 ASP HD2 . 53391 1 497 . 1 . 1 104 104 ASP C C 13 173.900 0.01 . . . . . . . 104 ASP C . 53391 1 498 . 1 . 1 104 104 ASP CA C 13 52.757 0.04 . . . . . . . 104 ASP CA . 53391 1 499 . 1 . 1 104 104 ASP CB C 13 42.486 0.04 . . . . . . . 104 ASP CB . 53391 1 500 . 1 . 1 104 104 ASP N N 15 125.397 0.01 . . . . . . . 104 ASP N . 53391 1 501 . 1 . 1 105 105 PHE H H 1 8.480 0.01 . . . . . . . 105 PHE H . 53391 1 502 . 1 . 1 105 105 PHE C C 13 175.060 0.02 . . . . . . . 105 PHE C . 53391 1 503 . 1 . 1 105 105 PHE CA C 13 56.660 0.02 . . . . . . . 105 PHE CA . 53391 1 504 . 1 . 1 105 105 PHE CB C 13 40.918 0.08 . . . . . . . 105 PHE CB . 53391 1 505 . 1 . 1 105 105 PHE N N 15 122.295 0.01 . . . . . . . 105 PHE N . 53391 1 506 . 1 . 1 106 106 VAL H H 1 9.316 0.00 . . . . . . . 106 VAL H . 53391 1 507 . 1 . 1 106 106 VAL C C 13 174.363 0.02 . . . . . . . 106 VAL C . 53391 1 508 . 1 . 1 106 106 VAL CA C 13 60.067 0.05 . . . . . . . 106 VAL CA . 53391 1 509 . 1 . 1 106 106 VAL CB C 13 33.577 0.00 . . . . . . . 106 VAL CB . 53391 1 510 . 1 . 1 106 106 VAL N N 15 126.464 0.00 . . . . . . . 106 VAL N . 53391 1 511 . 1 . 1 107 107 PHE H H 1 9.343 0.00 . . . . . . . 107 PHE H . 53391 1 512 . 1 . 1 107 107 PHE C C 13 175.100 0.01 . . . . . . . 107 PHE C . 53391 1 513 . 1 . 1 107 107 PHE CA C 13 55.832 0.05 . . . . . . . 107 PHE CA . 53391 1 514 . 1 . 1 107 107 PHE CB C 13 41.826 0.04 . . . . . . . 107 PHE CB . 53391 1 515 . 1 . 1 107 107 PHE N N 15 126.231 0.00 . . . . . . . 107 PHE N . 53391 1 516 . 1 . 1 108 108 VAL H H 1 8.854 0.00 . . . . . . . 108 VAL H . 53391 1 517 . 1 . 1 108 108 VAL C C 13 174.216 0.01 . . . . . . . 108 VAL C . 53391 1 518 . 1 . 1 108 108 VAL CA C 13 60.787 0.00 . . . . . . . 108 VAL CA . 53391 1 519 . 1 . 1 108 108 VAL CB C 13 33.443 0.05 . . . . . . . 108 VAL CB . 53391 1 520 . 1 . 1 108 108 VAL N N 15 122.552 0.00 . . . . . . . 108 VAL N . 53391 1 521 . 1 . 1 109 109 ILE H H 1 8.713 0.00 . . . . . . . 109 ILE H . 53391 1 522 . 1 . 1 109 109 ILE C C 13 175.988 0.00 . . . . . . . 109 ILE C . 53391 1 523 . 1 . 1 109 109 ILE CA C 13 59.993 0.02 . . . . . . . 109 ILE CA . 53391 1 524 . 1 . 1 109 109 ILE CB C 13 38.485 0.01 . . . . . . . 109 ILE CB . 53391 1 525 . 1 . 1 109 109 ILE N N 15 126.583 0.00 . . . . . . . 109 ILE N . 53391 1 526 . 1 . 1 110 110 GLY H H 1 9.097 0.00 . . . . . . . 110 GLY H . 53391 1 527 . 1 . 1 110 110 GLY C C 13 173.911 0.01 . . . . . . . 110 GLY C . 53391 1 528 . 1 . 1 110 110 GLY CA C 13 44.211 0.08 . . . . . . . 110 GLY CA . 53391 1 529 . 1 . 1 110 110 GLY N N 15 111.370 0.01 . . . . . . . 110 GLY N . 53391 1 530 . 1 . 1 111 111 GLY H H 1 7.637 0.00 . . . . . . . 111 GLY H . 53391 1 531 . 1 . 1 111 111 GLY C C 13 176.159 0.01 . . . . . . . 111 GLY C . 53391 1 532 . 1 . 1 111 111 GLY CA C 13 43.703 0.08 . . . . . . . 111 GLY CA . 53391 1 533 . 1 . 1 111 111 GLY N N 15 104.903 0.01 . . . . . . . 111 GLY N . 53391 1 534 . 1 . 1 112 112 SER H H 1 8.999 0.00 . . . . . . . 112 SER H . 53391 1 535 . 1 . 1 112 112 SER C C 13 175.427 0.00 . . . . . . . 112 SER C . 53391 1 536 . 1 . 1 112 112 SER CA C 13 61.125 0.01 . . . . . . . 112 SER CA . 53391 1 537 . 1 . 1 112 112 SER CB C 13 62.590 0.05 . . . . . . . 112 SER CB . 53391 1 538 . 1 . 1 112 112 SER N N 15 117.106 0.03 . . . . . . . 112 SER N . 53391 1 539 . 1 . 1 113 113 ASN H H 1 8.722 0.00 . . . . . . . 113 ASN H . 53391 1 540 . 1 . 1 113 113 ASN C C 13 174.327 0.01 . . . . . . . 113 ASN C . 53391 1 541 . 1 . 1 113 113 ASN CA C 13 53.373 0.05 . . . . . . . 113 ASN CA . 53391 1 542 . 1 . 1 113 113 ASN CB C 13 39.315 0.05 . . . . . . . 113 ASN CB . 53391 1 543 . 1 . 1 113 113 ASN N N 15 117.708 0.01 . . . . . . . 113 ASN N . 53391 1 544 . 1 . 1 114 114 GLY H H 1 7.454 0.00 . . . . . . . 114 GLY H . 53391 1 545 . 1 . 1 114 114 GLY C C 13 173.932 0.01 . . . . . . . 114 GLY C . 53391 1 546 . 1 . 1 114 114 GLY CA C 13 43.881 0.02 . . . . . . . 114 GLY CA . 53391 1 547 . 1 . 1 114 114 GLY N N 15 106.184 0.02 . . . . . . . 114 GLY N . 53391 1 548 . 1 . 1 115 115 LEU H H 1 8.428 0.00 . . . . . . . 115 LEU H . 53391 1 549 . 1 . 1 115 115 LEU C C 13 175.760 0.01 . . . . . . . 115 LEU C . 53391 1 550 . 1 . 1 115 115 LEU CA C 13 53.010 0.04 . . . . . . . 115 LEU CA . 53391 1 551 . 1 . 1 115 115 LEU CB C 13 44.386 0.02 . . . . . . . 115 LEU CB . 53391 1 552 . 1 . 1 115 115 LEU N N 15 120.396 0.01 . . . . . . . 115 LEU N . 53391 1 553 . 1 . 1 116 116 HIS H H 1 9.012 0.00 . . . . . . . 116 HIS H . 53391 1 554 . 1 . 1 116 116 HIS C C 13 175.881 0.02 . . . . . . . 116 HIS C . 53391 1 555 . 1 . 1 116 116 HIS CA C 13 57.681 0.02 . . . . . . . 116 HIS CA . 53391 1 556 . 1 . 1 116 116 HIS CB C 13 32.184 0.03 . . . . . . . 116 HIS CB . 53391 1 557 . 1 . 1 116 116 HIS N N 15 121.101 0.00 . . . . . . . 116 HIS N . 53391 1 558 . 1 . 1 117 117 LYS H H 1 8.038 0.00 . . . . . . . 117 LYS H . 53391 1 559 . 1 . 1 117 117 LYS C C 13 176.971 0.01 . . . . . . . 117 LYS C . 53391 1 560 . 1 . 1 117 117 LYS CA C 13 59.072 0.12 . . . . . . . 117 LYS CA . 53391 1 561 . 1 . 1 117 117 LYS CB C 13 30.922 0.04 . . . . . . . 117 LYS CB . 53391 1 562 . 1 . 1 117 117 LYS N N 15 127.598 0.00 . . . . . . . 117 LYS N . 53391 1 563 . 1 . 1 118 118 ASP H H 1 9.976 0.01 . . . . . . . 118 ASP H . 53391 1 564 . 1 . 1 118 118 ASP C C 13 179.620 0.01 . . . . . . . 118 ASP C . 53391 1 565 . 1 . 1 118 118 ASP CA C 13 57.673 0.08 . . . . . . . 118 ASP CA . 53391 1 566 . 1 . 1 118 118 ASP CB C 13 38.641 0.03 . . . . . . . 118 ASP CB . 53391 1 567 . 1 . 1 118 118 ASP N N 15 124.030 0.01 . . . . . . . 118 ASP N . 53391 1 568 . 1 . 1 119 119 VAL H H 1 7.643 0.00 . . . . . . . 119 VAL H . 53391 1 569 . 1 . 1 119 119 VAL C C 13 177.661 0.02 . . . . . . . 119 VAL C . 53391 1 570 . 1 . 1 119 119 VAL CA C 13 64.956 0.00 . . . . . . . 119 VAL CA . 53391 1 571 . 1 . 1 119 119 VAL CB C 13 30.368 0.10 . . . . . . . 119 VAL CB . 53391 1 572 . 1 . 1 119 119 VAL N N 15 119.451 0.00 . . . . . . . 119 VAL N . 53391 1 573 . 1 . 1 120 120 LEU H H 1 7.465 0.00 . . . . . . . 120 LEU H . 53391 1 574 . 1 . 1 120 120 LEU C C 13 180.104 0.01 . . . . . . . 120 LEU C . 53391 1 575 . 1 . 1 120 120 LEU CA C 13 57.680 0.03 . . . . . . . 120 LEU CA . 53391 1 576 . 1 . 1 120 120 LEU CB C 13 39.020 0.00 . . . . . . . 120 LEU CB . 53391 1 577 . 1 . 1 120 120 LEU N N 15 118.502 0.00 . . . . . . . 120 LEU N . 53391 1 578 . 1 . 1 121 121 GLN H H 1 8.164 0.01 . . . . . . . 121 GLN H . 53391 1 579 . 1 . 1 121 121 GLN C C 13 176.468 0.00 . . . . . . . 121 GLN C . 53391 1 580 . 1 . 1 121 121 GLN CA C 13 57.953 0.49 . . . . . . . 121 GLN CA . 53391 1 581 . 1 . 1 121 121 GLN CB C 13 27.733 0.44 . . . . . . . 121 GLN CB . 53391 1 582 . 1 . 1 121 121 GLN N N 15 116.590 0.02 . . . . . . . 121 GLN N . 53391 1 583 . 1 . 1 122 122 ARG H H 1 6.900 0.00 . . . . . . . 122 ARG H . 53391 1 584 . 1 . 1 122 122 ARG C C 13 175.349 0.03 . . . . . . . 122 ARG C . 53391 1 585 . 1 . 1 122 122 ARG CA C 13 53.547 0.02 . . . . . . . 122 ARG CA . 53391 1 586 . 1 . 1 122 122 ARG CB C 13 28.605 0.12 . . . . . . . 122 ARG CB . 53391 1 587 . 1 . 1 122 122 ARG N N 15 119.109 0.02 . . . . . . . 122 ARG N . 53391 1 588 . 1 . 1 123 123 SER H H 1 6.982 0.01 . . . . . . . 123 SER H . 53391 1 589 . 1 . 1 123 123 SER C C 13 174.955 0.00 . . . . . . . 123 SER C . 53391 1 590 . 1 . 1 123 123 SER CA C 13 58.923 0.03 . . . . . . . 123 SER CA . 53391 1 591 . 1 . 1 123 123 SER CB C 13 62.620 0.03 . . . . . . . 123 SER CB . 53391 1 592 . 1 . 1 123 123 SER N N 15 112.112 0.01 . . . . . . . 123 SER N . 53391 1 593 . 1 . 1 124 124 ASN H H 1 9.540 0.01 . . . . . . . 124 ASN H . 53391 1 594 . 1 . 1 124 124 ASN C C 13 174.288 0.02 . . . . . . . 124 ASN C . 53391 1 595 . 1 . 1 124 124 ASN CA C 13 54.867 0.01 . . . . . . . 124 ASN CA . 53391 1 596 . 1 . 1 124 124 ASN CB C 13 40.405 0.03 . . . . . . . 124 ASN CB . 53391 1 597 . 1 . 1 124 124 ASN N N 15 123.914 0.01 . . . . . . . 124 ASN N . 53391 1 598 . 1 . 1 125 125 TYR H H 1 8.237 0.00 . . . . . . . 125 TYR H . 53391 1 599 . 1 . 1 125 125 TYR C C 13 171.536 0.02 . . . . . . . 125 TYR C . 53391 1 600 . 1 . 1 125 125 TYR CA C 13 59.695 0.05 . . . . . . . 125 TYR CA . 53391 1 601 . 1 . 1 125 125 TYR CB C 13 39.925 0.05 . . . . . . . 125 TYR CB . 53391 1 602 . 1 . 1 125 125 TYR N N 15 123.296 0.01 . . . . . . . 125 TYR N . 53391 1 603 . 1 . 1 126 126 ALA H H 1 7.416 0.00 . . . . . . . 126 ALA H . 53391 1 604 . 1 . 1 126 126 ALA C C 13 175.163 0.01 . . . . . . . 126 ALA C . 53391 1 605 . 1 . 1 126 126 ALA CA C 13 50.102 0.10 . . . . . . . 126 ALA CA . 53391 1 606 . 1 . 1 126 126 ALA CB C 13 20.265 0.01 . . . . . . . 126 ALA CB . 53391 1 607 . 1 . 1 126 126 ALA N N 15 131.207 0.03 . . . . . . . 126 ALA N . 53391 1 608 . 1 . 1 127 127 LEU H H 1 9.123 0.00 . . . . . . . 127 LEU H . 53391 1 609 . 1 . 1 127 127 LEU C C 13 173.708 0.01 . . . . . . . 127 LEU C . 53391 1 610 . 1 . 1 127 127 LEU CA C 13 53.405 0.08 . . . . . . . 127 LEU CA . 53391 1 611 . 1 . 1 127 127 LEU CB C 13 46.335 0.00 . . . . . . . 127 LEU CB . 53391 1 612 . 1 . 1 127 127 LEU N N 15 127.953 0.00 . . . . . . . 127 LEU N . 53391 1 613 . 1 . 1 128 128 SER H H 1 8.265 0.00 . . . . . . . 128 SER H . 53391 1 614 . 1 . 1 128 128 SER C C 13 175.012 0.01 . . . . . . . 128 SER C . 53391 1 615 . 1 . 1 128 128 SER CA C 13 55.184 0.02 . . . . . . . 128 SER CA . 53391 1 616 . 1 . 1 128 128 SER CB C 13 64.558 0.08 . . . . . . . 128 SER CB . 53391 1 617 . 1 . 1 128 128 SER N N 15 119.207 0.02 . . . . . . . 128 SER N . 53391 1 618 . 1 . 1 129 129 PHE H H 1 8.682 0.00 . . . . . . . 129 PHE H . 53391 1 619 . 1 . 1 129 129 PHE C C 13 176.308 0.02 . . . . . . . 129 PHE C . 53391 1 620 . 1 . 1 129 129 PHE CA C 13 57.374 0.18 . . . . . . . 129 PHE CA . 53391 1 621 . 1 . 1 129 129 PHE CB C 13 40.567 0.00 . . . . . . . 129 PHE CB . 53391 1 622 . 1 . 1 129 129 PHE N N 15 123.397 0.01 . . . . . . . 129 PHE N . 53391 1 623 . 1 . 1 130 130 SER H H 1 7.750 0.00 . . . . . . . 130 SER H . 53391 1 624 . 1 . 1 130 130 SER C C 13 173.356 0.01 . . . . . . . 130 SER C . 53391 1 625 . 1 . 1 130 130 SER CA C 13 57.389 0.14 . . . . . . . 130 SER CA . 53391 1 626 . 1 . 1 130 130 SER CB C 13 63.054 0.04 . . . . . . . 130 SER CB . 53391 1 627 . 1 . 1 130 130 SER N N 15 111.408 0.03 . . . . . . . 130 SER N . 53391 1 628 . 1 . 1 131 131 LYS H H 1 8.084 0.00 . . . . . . . 131 LYS H . 53391 1 629 . 1 . 1 131 131 LYS C C 13 178.763 0.05 . . . . . . . 131 LYS C . 53391 1 630 . 1 . 1 131 131 LYS CA C 13 56.540 0.11 . . . . . . . 131 LYS CA . 53391 1 631 . 1 . 1 131 131 LYS CB C 13 31.178 0.06 . . . . . . . 131 LYS CB . 53391 1 632 . 1 . 1 131 131 LYS N N 15 120.899 0.00 . . . . . . . 131 LYS N . 53391 1 633 . 1 . 1 132 132 MET H H 1 8.756 0.00 . . . . . . . 132 MET H . 53391 1 634 . 1 . 1 132 132 MET C C 13 173.635 0.02 . . . . . . . 132 MET C . 53391 1 635 . 1 . 1 132 132 MET CA C 13 56.243 0.02 . . . . . . . 132 MET CA . 53391 1 636 . 1 . 1 132 132 MET CB C 13 32.545 0.01 . . . . . . . 132 MET CB . 53391 1 637 . 1 . 1 132 132 MET N N 15 120.621 0.02 . . . . . . . 132 MET N . 53391 1 638 . 1 . 1 133 133 THR H H 1 8.374 0.00 . . . . . . . 133 THR H . 53391 1 639 . 1 . 1 133 133 THR C C 13 172.790 0.02 . . . . . . . 133 THR C . 53391 1 640 . 1 . 1 133 133 THR CA C 13 62.008 0.00 . . . . . . . 133 THR CA . 53391 1 641 . 1 . 1 133 133 THR CB C 13 69.405 0.03 . . . . . . . 133 THR CB . 53391 1 642 . 1 . 1 133 133 THR N N 15 117.965 0.02 . . . . . . . 133 THR N . 53391 1 643 . 1 . 1 134 134 PHE H H 1 8.086 0.00 . . . . . . . 134 PHE H . 53391 1 644 . 1 . 1 134 134 PHE C C 13 174.023 0.00 . . . . . . . 134 PHE C . 53391 1 645 . 1 . 1 134 134 PHE CA C 13 50.681 0.00 . . . . . . . 134 PHE CA . 53391 1 646 . 1 . 1 134 134 PHE CB C 13 37.253 0.00 . . . . . . . 134 PHE CB . 53391 1 647 . 1 . 1 134 134 PHE N N 15 124.702 0.01 . . . . . . . 134 PHE N . 53391 1 648 . 1 . 1 135 135 PRO H H 1 7.678 0.00 . . . . . . . 135 PRO H . 53391 1 649 . 1 . 1 135 135 PRO HA H 1 7.676 0.00 . . . . . . . 135 PRO HA . 53391 1 650 . 1 . 1 135 135 PRO C C 13 177.740 0.01 . . . . . . . 135 PRO C . 53391 1 651 . 1 . 1 135 135 PRO CA C 13 58.775 0.00 . . . . . . . 135 PRO CA . 53391 1 652 . 1 . 1 135 135 PRO CB C 13 30.623 0.00 . . . . . . . 135 PRO CB . 53391 1 653 . 1 . 1 135 135 PRO N N 15 119.000 0.00 . . . . . . . 135 PRO N . 53391 1 654 . 1 . 1 136 136 HIS H H 1 5.780 0.00 . . . . . . . 136 HIS H . 53391 1 655 . 1 . 1 136 136 HIS C C 13 178.207 0.07 . . . . . . . 136 HIS C . 53391 1 656 . 1 . 1 136 136 HIS CA C 13 58.802 1.06 . . . . . . . 136 HIS CA . 53391 1 657 . 1 . 1 136 136 HIS CB C 13 28.573 0.08 . . . . . . . 136 HIS CB . 53391 1 658 . 1 . 1 136 136 HIS N N 15 119.175 0.03 . . . . . . . 136 HIS N . 53391 1 659 . 1 . 1 137 137 GLN H H 1 9.040 0.01 . . . . . . . 137 GLN H . 53391 1 660 . 1 . 1 137 137 GLN C C 13 176.602 0.02 . . . . . . . 137 GLN C . 53391 1 661 . 1 . 1 137 137 GLN CA C 13 59.633 0.03 . . . . . . . 137 GLN CA . 53391 1 662 . 1 . 1 137 137 GLN CB C 13 26.293 0.05 . . . . . . . 137 GLN CB . 53391 1 663 . 1 . 1 137 137 GLN N N 15 122.276 0.05 . . . . . . . 137 GLN N . 53391 1 664 . 1 . 1 138 138 MET H H 1 6.076 0.00 . . . . . . . 138 MET H . 53391 1 665 . 1 . 1 138 138 MET C C 13 177.966 0.01 . . . . . . . 138 MET C . 53391 1 666 . 1 . 1 138 138 MET CA C 13 56.654 0.02 . . . . . . . 138 MET CA . 53391 1 667 . 1 . 1 138 138 MET CB C 13 32.754 0.01 . . . . . . . 138 MET CB . 53391 1 668 . 1 . 1 138 138 MET N N 15 114.318 0.01 . . . . . . . 138 MET N . 53391 1 669 . 1 . 1 139 139 MET H H 1 7.976 0.00 . . . . . . . 139 MET H . 53391 1 670 . 1 . 1 139 139 MET C C 13 177.018 0.01 . . . . . . . 139 MET C . 53391 1 671 . 1 . 1 139 139 MET CA C 13 57.085 0.05 . . . . . . . 139 MET CA . 53391 1 672 . 1 . 1 139 139 MET CB C 13 31.407 0.12 . . . . . . . 139 MET CB . 53391 1 673 . 1 . 1 139 139 MET N N 15 117.615 0.01 . . . . . . . 139 MET N . 53391 1 674 . 1 . 1 140 140 ARG H H 1 7.025 0.00 . . . . . . . 140 ARG H . 53391 1 675 . 1 . 1 140 140 ARG C C 13 176.501 0.01 . . . . . . . 140 ARG C . 53391 1 676 . 1 . 1 140 140 ARG CA C 13 59.192 0.08 . . . . . . . 140 ARG CA . 53391 1 677 . 1 . 1 140 140 ARG CB C 13 30.118 0.11 . . . . . . . 140 ARG CB . 53391 1 678 . 1 . 1 140 140 ARG N N 15 116.509 0.01 . . . . . . . 140 ARG N . 53391 1 679 . 1 . 1 141 141 VAL H H 1 6.775 0.00 . . . . . . . 141 VAL H . 53391 1 680 . 1 . 1 141 141 VAL C C 13 176.440 0.00 . . . . . . . 141 VAL C . 53391 1 681 . 1 . 1 141 141 VAL CA C 13 65.171 0.02 . . . . . . . 141 VAL CA . 53391 1 682 . 1 . 1 141 141 VAL CB C 13 30.891 0.01 . . . . . . . 141 VAL CB . 53391 1 683 . 1 . 1 141 141 VAL N N 15 116.862 0.01 . . . . . . . 141 VAL N . 53391 1 684 . 1 . 1 142 142 VAL H H 1 8.044 0.00 . . . . . . . 142 VAL H . 53391 1 685 . 1 . 1 142 142 VAL C C 13 177.827 0.02 . . . . . . . 142 VAL C . 53391 1 686 . 1 . 1 142 142 VAL CA C 13 65.410 0.22 . . . . . . . 142 VAL CA . 53391 1 687 . 1 . 1 142 142 VAL CB C 13 30.332 0.02 . . . . . . . 142 VAL CB . 53391 1 688 . 1 . 1 142 142 VAL N N 15 118.605 0.02 . . . . . . . 142 VAL N . 53391 1 689 . 1 . 1 143 143 LEU H H 1 7.737 0.00 . . . . . . . 143 LEU H . 53391 1 690 . 1 . 1 143 143 LEU C C 13 177.284 0.00 . . . . . . . 143 LEU C . 53391 1 691 . 1 . 1 143 143 LEU CA C 13 57.692 0.01 . . . . . . . 143 LEU CA . 53391 1 692 . 1 . 1 143 143 LEU CB C 13 39.999 0.02 . . . . . . . 143 LEU CB . 53391 1 693 . 1 . 1 143 143 LEU N N 15 116.799 0.00 . . . . . . . 143 LEU N . 53391 1 694 . 1 . 1 144 144 ILE H H 1 7.497 0.00 . . . . . . . 144 ILE H . 53391 1 695 . 1 . 1 144 144 ILE C C 13 175.967 0.02 . . . . . . . 144 ILE C . 53391 1 696 . 1 . 1 144 144 ILE CA C 13 65.376 0.00 . . . . . . . 144 ILE CA . 53391 1 697 . 1 . 1 144 144 ILE CB C 13 36.947 0.04 . . . . . . . 144 ILE CB . 53391 1 698 . 1 . 1 144 144 ILE N N 15 117.213 0.00 . . . . . . . 144 ILE N . 53391 1 699 . 1 . 1 145 145 GLU H H 1 7.638 0.00 . . . . . . . 145 GLU H . 53391 1 700 . 1 . 1 145 145 GLU C C 13 178.221 0.02 . . . . . . . 145 GLU C . 53391 1 701 . 1 . 1 145 145 GLU CA C 13 60.573 0.06 . . . . . . . 145 GLU CA . 53391 1 702 . 1 . 1 145 145 GLU CB C 13 27.269 0.08 . . . . . . . 145 GLU CB . 53391 1 703 . 1 . 1 145 145 GLU N N 15 123.496 0.01 . . . . . . . 145 GLU N . 53391 1 704 . 1 . 1 146 146 GLN H H 1 8.069 0.00 . . . . . . . 146 GLN H . 53391 1 705 . 1 . 1 146 146 GLN C C 13 178.803 0.01 . . . . . . . 146 GLN C . 53391 1 706 . 1 . 1 146 146 GLN CA C 13 57.656 0.02 . . . . . . . 146 GLN CA . 53391 1 707 . 1 . 1 146 146 GLN CB C 13 27.018 0.01 . . . . . . . 146 GLN CB . 53391 1 708 . 1 . 1 146 146 GLN N N 15 117.518 0.03 . . . . . . . 146 GLN N . 53391 1 709 . 1 . 1 147 147 VAL H H 1 8.305 0.01 . . . . . . . 147 VAL H . 53391 1 710 . 1 . 1 147 147 VAL C C 13 177.025 0.01 . . . . . . . 147 VAL C . 53391 1 711 . 1 . 1 147 147 VAL CA C 13 66.993 0.04 . . . . . . . 147 VAL CA . 53391 1 712 . 1 . 1 147 147 VAL CB C 13 29.988 0.09 . . . . . . . 147 VAL CB . 53391 1 713 . 1 . 1 147 147 VAL N N 15 121.197 0.01 . . . . . . . 147 VAL N . 53391 1 714 . 1 . 1 148 148 TYR H H 1 7.847 0.01 . . . . . . . 148 TYR H . 53391 1 715 . 1 . 1 148 148 TYR C C 13 175.753 0.01 . . . . . . . 148 TYR C . 53391 1 716 . 1 . 1 148 148 TYR CA C 13 60.966 0.00 . . . . . . . 148 TYR CA . 53391 1 717 . 1 . 1 148 148 TYR CB C 13 36.532 0.02 . . . . . . . 148 TYR CB . 53391 1 718 . 1 . 1 148 148 TYR N N 15 120.431 0.02 . . . . . . . 148 TYR N . 53391 1 719 . 1 . 1 149 149 ARG H H 1 8.850 0.00 . . . . . . . 149 ARG H . 53391 1 720 . 1 . 1 149 149 ARG C C 13 177.892 0.01 . . . . . . . 149 ARG C . 53391 1 721 . 1 . 1 149 149 ARG CA C 13 59.188 0.06 . . . . . . . 149 ARG CA . 53391 1 722 . 1 . 1 149 149 ARG CB C 13 29.921 0.13 . . . . . . . 149 ARG CB . 53391 1 723 . 1 . 1 149 149 ARG N N 15 120.705 0.01 . . . . . . . 149 ARG N . 53391 1 724 . 1 . 1 150 150 ALA H H 1 8.485 0.00 . . . . . . . 150 ALA H . 53391 1 725 . 1 . 1 150 150 ALA C C 13 179.800 0.01 . . . . . . . 150 ALA C . 53391 1 726 . 1 . 1 150 150 ALA CA C 13 54.736 0.04 . . . . . . . 150 ALA CA . 53391 1 727 . 1 . 1 150 150 ALA CB C 13 15.827 0.05 . . . . . . . 150 ALA CB . 53391 1 728 . 1 . 1 150 150 ALA N N 15 120.899 0.00 . . . . . . . 150 ALA N . 53391 1 729 . 1 . 1 151 151 PHE H H 1 7.972 0.00 . . . . . . . 151 PHE H . 53391 1 730 . 1 . 1 151 151 PHE C C 13 178.082 0.01 . . . . . . . 151 PHE C . 53391 1 731 . 1 . 1 151 151 PHE CA C 13 62.890 0.04 . . . . . . . 151 PHE CA . 53391 1 732 . 1 . 1 151 151 PHE CB C 13 37.248 0.07 . . . . . . . 151 PHE CB . 53391 1 733 . 1 . 1 151 151 PHE N N 15 118.084 0.01 . . . . . . . 151 PHE N . 53391 1 734 . 1 . 1 152 152 LYS H H 1 7.672 0.00 . . . . . . . 152 LYS H . 53391 1 735 . 1 . 1 152 152 LYS C C 13 179.872 0.02 . . . . . . . 152 LYS C . 53391 1 736 . 1 . 1 152 152 LYS CA C 13 58.930 0.05 . . . . . . . 152 LYS CA . 53391 1 737 . 1 . 1 152 152 LYS CB C 13 29.787 0.09 . . . . . . . 152 LYS CB . 53391 1 738 . 1 . 1 152 152 LYS N N 15 119.212 0.02 . . . . . . . 152 LYS N . 53391 1 739 . 1 . 1 153 153 ILE H H 1 8.163 0.00 . . . . . . . 153 ILE H . 53391 1 740 . 1 . 1 153 153 ILE C C 13 179.770 0.04 . . . . . . . 153 ILE C . 53391 1 741 . 1 . 1 153 153 ILE CA C 13 64.743 0.04 . . . . . . . 153 ILE CA . 53391 1 742 . 1 . 1 153 153 ILE CB C 13 37.299 0.01 . . . . . . . 153 ILE CB . 53391 1 743 . 1 . 1 153 153 ILE N N 15 120.317 0.00 . . . . . . . 153 ILE N . 53391 1 744 . 1 . 1 154 154 MET H H 1 8.410 0.00 . . . . . . . 154 MET H . 53391 1 745 . 1 . 1 154 154 MET C C 13 177.821 0.02 . . . . . . . 154 MET C . 53391 1 746 . 1 . 1 154 154 MET CA C 13 58.711 0.07 . . . . . . . 154 MET CA . 53391 1 747 . 1 . 1 154 154 MET CB C 13 33.276 0.03 . . . . . . . 154 MET CB . 53391 1 748 . 1 . 1 154 154 MET N N 15 119.316 0.00 . . . . . . . 154 MET N . 53391 1 749 . 1 . 1 155 155 ARG H H 1 7.836 0.00 . . . . . . . 155 ARG H . 53391 1 750 . 1 . 1 155 155 ARG C C 13 177.115 0.01 . . . . . . . 155 ARG C . 53391 1 751 . 1 . 1 155 155 ARG CA C 13 55.515 0.02 . . . . . . . 155 ARG CA . 53391 1 752 . 1 . 1 155 155 ARG CB C 13 29.424 0.01 . . . . . . . 155 ARG CB . 53391 1 753 . 1 . 1 155 155 ARG N N 15 116.590 0.01 . . . . . . . 155 ARG N . 53391 1 754 . 1 . 1 156 156 GLY H H 1 7.790 0.00 . . . . . . . 156 GLY H . 53391 1 755 . 1 . 1 156 156 GLY C C 13 174.798 0.02 . . . . . . . 156 GLY C . 53391 1 756 . 1 . 1 156 156 GLY CA C 13 45.646 0.01 . . . . . . . 156 GLY CA . 53391 1 757 . 1 . 1 156 156 GLY N N 15 108.938 0.01 . . . . . . . 156 GLY N . 53391 1 758 . 1 . 1 157 157 GLU H H 1 8.201 0.00 . . . . . . . 157 GLU H . 53391 1 759 . 1 . 1 157 157 GLU C C 13 176.479 0.01 . . . . . . . 157 GLU C . 53391 1 760 . 1 . 1 157 157 GLU CA C 13 56.151 0.02 . . . . . . . 157 GLU CA . 53391 1 761 . 1 . 1 157 157 GLU CB C 13 29.934 0.03 . . . . . . . 157 GLU CB . 53391 1 762 . 1 . 1 157 157 GLU N N 15 120.318 0.00 . . . . . . . 157 GLU N . 53391 1 763 . 1 . 1 158 158 ALA H H 1 8.150 0.00 . . . . . . . 158 ALA H . 53391 1 764 . 1 . 1 158 158 ALA C C 13 177.595 0.01 . . . . . . . 158 ALA C . 53391 1 765 . 1 . 1 158 158 ALA CA C 13 52.425 0.02 . . . . . . . 158 ALA CA . 53391 1 766 . 1 . 1 158 158 ALA CB C 13 18.075 0.02 . . . . . . . 158 ALA CB . 53391 1 767 . 1 . 1 158 158 ALA N N 15 123.693 0.02 . . . . . . . 158 ALA N . 53391 1 768 . 1 . 1 159 159 TYR H H 1 7.960 0.00 . . . . . . . 159 TYR H . 53391 1 769 . 1 . 1 159 159 TYR C C 13 175.473 0.03 . . . . . . . 159 TYR C . 53391 1 770 . 1 . 1 159 159 TYR CA C 13 58.873 0.00 . . . . . . . 159 TYR CA . 53391 1 771 . 1 . 1 159 159 TYR CB C 13 38.103 0.00 . . . . . . . 159 TYR CB . 53391 1 772 . 1 . 1 159 159 TYR N N 15 119.493 0.02 . . . . . . . 159 TYR N . 53391 1 773 . 1 . 1 160 160 HIS H H 1 8.259 0.00 . . . . . . . 160 HIS H . 53391 1 774 . 1 . 1 160 160 HIS C C 13 174.446 0.01 . . . . . . . 160 HIS C . 53391 1 775 . 1 . 1 160 160 HIS CA C 13 55.456 0.05 . . . . . . . 160 HIS CA . 53391 1 776 . 1 . 1 160 160 HIS CB C 13 29.414 0.06 . . . . . . . 160 HIS CB . 53391 1 777 . 1 . 1 160 160 HIS N N 15 120.176 0.01 . . . . . . . 160 HIS N . 53391 1 778 . 1 . 1 161 161 LYS H H 1 8.042 0.00 . . . . . . . 161 LYS H . 53391 1 779 . 1 . 1 161 161 LYS C C 13 176.227 0.01 . . . . . . . 161 LYS C . 53391 1 780 . 1 . 1 161 161 LYS CA C 13 56.011 0.00 . . . . . . . 161 LYS CA . 53391 1 781 . 1 . 1 161 161 LYS CB C 13 32.132 0.03 . . . . . . . 161 LYS CB . 53391 1 782 . 1 . 1 161 161 LYS N N 15 124.004 0.02 . . . . . . . 161 LYS N . 53391 1 783 . 1 . 1 162 162 GLU H H 1 8.440 0.01 . . . . . . . 162 GLU H . 53391 1 784 . 1 . 1 162 162 GLU C C 13 176.974 0.00 . . . . . . . 162 GLU C . 53391 1 785 . 1 . 1 162 162 GLU CA C 13 56.322 0.00 . . . . . . . 162 GLU CA . 53391 1 786 . 1 . 1 162 162 GLU CB C 13 29.301 0.04 . . . . . . . 162 GLU CB . 53391 1 787 . 1 . 1 162 162 GLU N N 15 122.805 0.01 . . . . . . . 162 GLU N . 53391 1 788 . 1 . 1 163 163 GLY H H 1 8.368 0.00 . . . . . . . 163 GLY H . 53391 1 789 . 1 . 1 163 163 GLY C C 13 174.736 0.01 . . . . . . . 163 GLY C . 53391 1 790 . 1 . 1 163 163 GLY CA C 13 45.103 0.10 . . . . . . . 163 GLY CA . 53391 1 791 . 1 . 1 163 163 GLY N N 15 110.659 0.02 . . . . . . . 163 GLY N . 53391 1 792 . 1 . 1 164 164 GLY H H 1 8.221 0.00 . . . . . . . 164 GLY H . 53391 1 793 . 1 . 1 164 164 GLY C C 13 174.327 0.01 . . . . . . . 164 GLY C . 53391 1 794 . 1 . 1 164 164 GLY CA C 13 44.930 0.01 . . . . . . . 164 GLY CA . 53391 1 795 . 1 . 1 164 164 GLY N N 15 109.101 0.00 . . . . . . . 164 GLY N . 53391 1 796 . 1 . 1 165 165 SER H H 1 8.152 0.00 . . . . . . . 165 SER H . 53391 1 797 . 1 . 1 165 165 SER C C 13 174.557 0.00 . . . . . . . 165 SER C . 53391 1 798 . 1 . 1 165 165 SER CA C 13 58.037 0.00 . . . . . . . 165 SER CA . 53391 1 799 . 1 . 1 165 165 SER CB C 13 63.045 0.00 . . . . . . . 165 SER CB . 53391 1 800 . 1 . 1 165 165 SER N N 15 115.687 0.01 . . . . . . . 165 SER N . 53391 1 801 . 1 . 1 166 166 HIS H H 1 8.365 0.00 . . . . . . . 166 HIS H . 53391 1 802 . 1 . 1 166 166 HIS CA C 13 55.582 0.00 . . . . . . . 166 HIS CA . 53391 1 803 . 1 . 1 166 166 HIS N N 15 120.200 0.00 . . . . . . . 166 HIS N . 53391 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 53391 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name 'NMR side chain assignment' _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 5 '3D HBHA(CO)NH' . . . 53391 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53391 2 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 2 2 SER HA H 1 4.207 0.00 . . . . . . . 2 SER HA . 53391 2 2 . 1 . 1 2 2 SER HB2 H 1 3.840 0.00 . . . . . . . 2 SER HB2 . 53391 2 3 . 1 . 1 2 2 SER C C 13 170.456 0.01 . . . . . . . 2 SER C . 53391 2 4 . 1 . 1 2 2 SER CA C 13 57.287 0.00 . . . . . . . 2 SER CA . 53391 2 5 . 1 . 1 2 2 SER CB C 13 62.767 0.00 . . . . . . . 2 SER CB . 53391 2 6 . 1 . 1 3 3 LEU H H 1 8.429 0.01 . . . . . . . 3 LEU H . 53391 2 7 . 1 . 1 3 3 LEU HA H 1 4.902 0.00 . . . . . . . 3 LEU HA . 53391 2 8 . 1 . 1 3 3 LEU HB2 H 1 1.802 0.00 . . . . . . . 3 LEU HB2 . 53391 2 9 . 1 . 1 3 3 LEU C C 13 175.974 0.01 . . . . . . . 3 LEU C . 53391 2 10 . 1 . 1 3 3 LEU CA C 13 55.314 0.07 . . . . . . . 3 LEU CA . 53391 2 11 . 1 . 1 3 3 LEU CB C 13 42.745 0.01 . . . . . . . 3 LEU CB . 53391 2 12 . 1 . 1 3 3 LEU N N 15 123.863 0.07 . . . . . . . 3 LEU N . 53391 2 13 . 1 . 1 4 4 LYS H H 1 8.820 0.00 . . . . . . . 4 LYS H . 53391 2 14 . 1 . 1 4 4 LYS HA H 1 4.446 0.00 . . . . . . . 4 LYS HA . 53391 2 15 . 1 . 1 4 4 LYS HB2 H 1 1.870 0.00 . . . . . . . 4 LYS HB2 . 53391 2 16 . 1 . 1 4 4 LYS C C 13 173.842 0.02 . . . . . . . 4 LYS C . 53391 2 17 . 1 . 1 4 4 LYS CA C 13 56.034 0.03 . . . . . . . 4 LYS CA . 53391 2 18 . 1 . 1 4 4 LYS CB C 13 34.593 0.01 . . . . . . . 4 LYS CB . 53391 2 19 . 1 . 1 4 4 LYS N N 15 126.700 0.01 . . . . . . . 4 LYS N . 53391 2 20 . 1 . 1 5 5 ILE H H 1 8.415 0.00 . . . . . . . 5 ILE H . 53391 2 21 . 1 . 1 5 5 ILE HA H 1 5.246 0.00 . . . . . . . 5 ILE HA . 53391 2 22 . 1 . 1 5 5 ILE HB H 1 2.039 0.00 . . . . . . . 5 ILE HB . 53391 2 23 . 1 . 1 5 5 ILE C C 13 174.599 0.02 . . . . . . . 5 ILE C . 53391 2 24 . 1 . 1 5 5 ILE CA C 13 58.936 0.05 . . . . . . . 5 ILE CA . 53391 2 25 . 1 . 1 5 5 ILE CB C 13 38.616 0.00 . . . . . . . 5 ILE CB . 53391 2 26 . 1 . 1 5 5 ILE N N 15 124.999 0.09 . . . . . . . 5 ILE N . 53391 2 27 . 1 . 1 6 6 THR H H 1 9.115 0.00 . . . . . . . 6 THR H . 53391 2 28 . 1 . 1 6 6 THR HA H 1 5.436 0.00 . . . . . . . 6 THR HA . 53391 2 29 . 1 . 1 6 6 THR HB H 1 5.209 0.00 . . . . . . . 6 THR HB . 53391 2 30 . 1 . 1 6 6 THR C C 13 174.053 0.03 . . . . . . . 6 THR C . 53391 2 31 . 1 . 1 6 6 THR CA C 13 60.998 0.20 . . . . . . . 6 THR CA . 53391 2 32 . 1 . 1 6 6 THR CB C 13 70.614 0.01 . . . . . . . 6 THR CB . 53391 2 33 . 1 . 1 6 6 THR N N 15 124.602 0.04 . . . . . . . 6 THR N . 53391 2 34 . 1 . 1 7 7 ILE H H 1 9.143 0.01 . . . . . . . 7 ILE H . 53391 2 35 . 1 . 1 7 7 ILE HA H 1 4.815 0.00 . . . . . . . 7 ILE HA . 53391 2 36 . 1 . 1 7 7 ILE HB H 1 1.966 0.00 . . . . . . . 7 ILE HB . 53391 2 37 . 1 . 1 7 7 ILE C C 13 172.377 0.02 . . . . . . . 7 ILE C . 53391 2 38 . 1 . 1 7 7 ILE CA C 13 60.508 0.07 . . . . . . . 7 ILE CA . 53391 2 39 . 1 . 1 7 7 ILE CB C 13 38.020 0.01 . . . . . . . 7 ILE CB . 53391 2 40 . 1 . 1 7 7 ILE N N 15 127.565 0.07 . . . . . . . 7 ILE N . 53391 2 41 . 1 . 1 8 8 LEU H H 1 9.309 0.00 . . . . . . . 8 LEU H . 53391 2 42 . 1 . 1 8 8 LEU HA H 1 4.672 0.00 . . . . . . . 8 LEU HA . 53391 2 43 . 1 . 1 8 8 LEU HB2 H 1 1.564 0.00 . . . . . . . 8 LEU HB2 . 53391 2 44 . 1 . 1 8 8 LEU C C 13 173.178 0.02 . . . . . . . 8 LEU C . 53391 2 45 . 1 . 1 8 8 LEU CA C 13 53.090 0.01 . . . . . . . 8 LEU CA . 53391 2 46 . 1 . 1 8 8 LEU CB C 13 43.205 0.02 . . . . . . . 8 LEU CB . 53391 2 47 . 1 . 1 8 8 LEU N N 15 132.133 0.05 . . . . . . . 8 LEU N . 53391 2 48 . 1 . 1 9 9 ALA H H 1 8.623 0.01 . . . . . . . 9 ALA H . 53391 2 49 . 1 . 1 9 9 ALA HA H 1 5.516 0.00 . . . . . . . 9 ALA HA . 53391 2 50 . 1 . 1 9 9 ALA HB1 H 1 1.246 0.00 . . . . . . . 9 ALA HB . 53391 2 51 . 1 . 1 9 9 ALA HB2 H 1 1.246 0.00 . . . . . . . 9 ALA HB . 53391 2 52 . 1 . 1 9 9 ALA HB3 H 1 1.246 0.00 . . . . . . . 9 ALA HB . 53391 2 53 . 1 . 1 9 9 ALA C C 13 175.157 0.01 . . . . . . . 9 ALA C . 53391 2 54 . 1 . 1 9 9 ALA CA C 13 48.986 0.06 . . . . . . . 9 ALA CA . 53391 2 55 . 1 . 1 9 9 ALA CB C 13 21.377 0.03 . . . . . . . 9 ALA CB . 53391 2 56 . 1 . 1 9 9 ALA N N 15 126.160 0.02 . . . . . . . 9 ALA N . 53391 2 57 . 1 . 1 10 10 VAL H H 1 7.563 0.00 . . . . . . . 10 VAL H . 53391 2 58 . 1 . 1 10 10 VAL HA H 1 4.165 0.00 . . . . . . . 10 VAL HA . 53391 2 59 . 1 . 1 10 10 VAL C C 13 176.883 0.01 . . . . . . . 10 VAL C . 53391 2 60 . 1 . 1 10 10 VAL CA C 13 61.816 0.00 . . . . . . . 10 VAL CA . 53391 2 61 . 1 . 1 10 10 VAL CB C 13 31.050 0.00 . . . . . . . 10 VAL CB . 53391 2 62 . 1 . 1 10 10 VAL N N 15 121.707 0.04 . . . . . . . 10 VAL N . 53391 2 63 . 1 . 1 11 11 GLY H H 1 8.967 0.01 . . . . . . . 11 GLY H . 53391 2 64 . 1 . 1 11 11 GLY HA2 H 1 4.324 0.00 . . . . . . . 11 GLY HA2 . 53391 2 65 . 1 . 1 11 11 GLY C C 13 171.914 0.00 . . . . . . . 11 GLY C . 53391 2 66 . 1 . 1 11 11 GLY CA C 13 43.160 0.01 . . . . . . . 11 GLY CA . 53391 2 67 . 1 . 1 11 11 GLY N N 15 117.892 0.01 . . . . . . . 11 GLY N . 53391 2 68 . 1 . 1 12 12 LYS H H 1 8.161 0.00 . . . . . . . 12 LYS H . 53391 2 69 . 1 . 1 12 12 LYS HA H 1 4.375 0.00 . . . . . . . 12 LYS HA . 53391 2 70 . 1 . 1 12 12 LYS HB2 H 1 1.793 0.00 . . . . . . . 12 LYS HB2 . 53391 2 71 . 1 . 1 12 12 LYS C C 13 177.321 0.01 . . . . . . . 12 LYS C . 53391 2 72 . 1 . 1 12 12 LYS CA C 13 54.739 0.03 . . . . . . . 12 LYS CA . 53391 2 73 . 1 . 1 12 12 LYS CB C 13 32.062 0.00 . . . . . . . 12 LYS CB . 53391 2 74 . 1 . 1 12 12 LYS N N 15 121.206 0.01 . . . . . . . 12 LYS N . 53391 2 75 . 1 . 1 13 13 LEU H H 1 8.789 0.00 . . . . . . . 13 LEU H . 53391 2 76 . 1 . 1 13 13 LEU HA H 1 4.231 0.00 . . . . . . . 13 LEU HA . 53391 2 77 . 1 . 1 13 13 LEU HB2 H 1 1.613 0.00 . . . . . . . 13 LEU HB2 . 53391 2 78 . 1 . 1 13 13 LEU C C 13 177.200 0.01 . . . . . . . 13 LEU C . 53391 2 79 . 1 . 1 13 13 LEU CA C 13 55.011 0.14 . . . . . . . 13 LEU CA . 53391 2 80 . 1 . 1 13 13 LEU CB C 13 41.278 0.00 . . . . . . . 13 LEU CB . 53391 2 81 . 1 . 1 13 13 LEU N N 15 126.441 0.03 . . . . . . . 13 LEU N . 53391 2 82 . 1 . 1 14 14 LYS H H 1 8.866 0.01 . . . . . . . 14 LYS H . 53391 2 83 . 1 . 1 14 14 LYS HA H 1 4.319 0.00 . . . . . . . 14 LYS HA . 53391 2 84 . 1 . 1 14 14 LYS HB2 H 1 1.809 0.00 . . . . . . . 14 LYS HB2 . 53391 2 85 . 1 . 1 14 14 LYS C C 13 177.194 0.06 . . . . . . . 14 LYS C . 53391 2 86 . 1 . 1 14 14 LYS CA C 13 57.017 0.09 . . . . . . . 14 LYS CA . 53391 2 87 . 1 . 1 14 14 LYS CB C 13 33.006 0.08 . . . . . . . 14 LYS CB . 53391 2 88 . 1 . 1 14 14 LYS N N 15 124.287 0.03 . . . . . . . 14 LYS N . 53391 2 89 . 1 . 1 15 15 GLU H H 1 8.612 0.02 . . . . . . . 15 GLU H . 53391 2 90 . 1 . 1 15 15 GLU HA H 1 4.189 0.00 . . . . . . . 15 GLU HA . 53391 2 91 . 1 . 1 15 15 GLU HB2 H 1 1.676 0.00 . . . . . . . 15 GLU HB2 . 53391 2 92 . 1 . 1 15 15 GLU C C 13 177.876 0.03 . . . . . . . 15 GLU C . 53391 2 93 . 1 . 1 15 15 GLU CA C 13 57.517 0.06 . . . . . . . 15 GLU CA . 53391 2 94 . 1 . 1 15 15 GLU CB C 13 27.584 0.02 . . . . . . . 15 GLU CB . 53391 2 95 . 1 . 1 15 15 GLU N N 15 119.891 0.02 . . . . . . . 15 GLU N . 53391 2 96 . 1 . 1 16 16 LYS H H 1 8.757 0.01 . . . . . . . 16 LYS H . 53391 2 97 . 1 . 1 16 16 LYS HA H 1 3.767 0.00 . . . . . . . 16 LYS HA . 53391 2 98 . 1 . 1 16 16 LYS HB2 H 1 1.816 0.00 . . . . . . . 16 LYS HB2 . 53391 2 99 . 1 . 1 16 16 LYS C C 13 177.927 0.01 . . . . . . . 16 LYS C . 53391 2 100 . 1 . 1 16 16 LYS CA C 13 59.287 0.13 . . . . . . . 16 LYS CA . 53391 2 101 . 1 . 1 16 16 LYS CB C 13 31.106 0.07 . . . . . . . 16 LYS CB . 53391 2 102 . 1 . 1 16 16 LYS N N 15 124.791 0.03 . . . . . . . 16 LYS N . 53391 2 103 . 1 . 1 17 17 TYR H H 1 6.426 0.01 . . . . . . . 17 TYR H . 53391 2 104 . 1 . 1 17 17 TYR C C 13 177.739 0.00 . . . . . . . 17 TYR C . 53391 2 105 . 1 . 1 17 17 TYR CA C 13 57.337 0.00 . . . . . . . 17 TYR CA . 53391 2 106 . 1 . 1 17 17 TYR CB C 13 35.582 0.00 . . . . . . . 17 TYR CB . 53391 2 107 . 1 . 1 17 17 TYR N N 15 112.093 0.03 . . . . . . . 17 TYR N . 53391 2 108 . 1 . 1 18 18 TRP H H 1 10.440 0.00 . . . . . . . 18 TRP H . 53391 2 109 . 1 . 1 18 18 TRP HA H 1 5.075 0.00 . . . . . . . 18 TRP HA . 53391 2 110 . 1 . 1 18 18 TRP HB2 H 1 2.494 0.00 . . . . . . . 18 TRP HB2 . 53391 2 111 . 1 . 1 18 18 TRP C C 13 178.140 0.00 . . . . . . . 18 TRP C . 53391 2 112 . 1 . 1 18 18 TRP CA C 13 57.700 0.00 . . . . . . . 18 TRP CA . 53391 2 113 . 1 . 1 18 18 TRP CB C 13 28.528 0.00 . . . . . . . 18 TRP CB . 53391 2 114 . 1 . 1 18 18 TRP N N 15 130.336 0.00 . . . . . . . 18 TRP N . 53391 2 115 . 1 . 1 19 19 LYS H H 1 7.304 0.00 . . . . . . . 19 LYS H . 53391 2 116 . 1 . 1 19 19 LYS HA H 1 3.881 0.00 . . . . . . . 19 LYS HA . 53391 2 117 . 1 . 1 19 19 LYS HD2 H 1 1.845 0.00 . . . . . . . 19 LYS HD2 . 53391 2 118 . 1 . 1 19 19 LYS C C 13 179.758 0.01 . . . . . . . 19 LYS C . 53391 2 119 . 1 . 1 19 19 LYS CA C 13 59.526 0.05 . . . . . . . 19 LYS CA . 53391 2 120 . 1 . 1 19 19 LYS CB C 13 30.834 0.12 . . . . . . . 19 LYS CB . 53391 2 121 . 1 . 1 19 19 LYS N N 15 117.799 0.00 . . . . . . . 19 LYS N . 53391 2 122 . 1 . 1 20 20 GLN H H 1 8.044 0.01 . . . . . . . 20 GLN H . 53391 2 123 . 1 . 1 20 20 GLN HA H 1 3.813 0.00 . . . . . . . 20 GLN HA . 53391 2 124 . 1 . 1 20 20 GLN HB2 H 1 1.570 0.00 . . . . . . . 20 GLN HB2 . 53391 2 125 . 1 . 1 20 20 GLN C C 13 177.712 0.02 . . . . . . . 20 GLN C . 53391 2 126 . 1 . 1 20 20 GLN CA C 13 58.024 0.05 . . . . . . . 20 GLN CA . 53391 2 127 . 1 . 1 20 20 GLN CB C 13 27.578 0.00 . . . . . . . 20 GLN CB . 53391 2 128 . 1 . 1 20 20 GLN N N 15 118.868 0.03 . . . . . . . 20 GLN N . 53391 2 129 . 1 . 1 21 21 ALA H H 1 7.031 0.00 . . . . . . . 21 ALA H . 53391 2 130 . 1 . 1 21 21 ALA HA H 1 2.980 0.00 . . . . . . . 21 ALA HA . 53391 2 131 . 1 . 1 21 21 ALA HB1 H 1 1.118 0.00 . . . . . . . 21 ALA HB . 53391 2 132 . 1 . 1 21 21 ALA HB2 H 1 1.118 0.00 . . . . . . . 21 ALA HB . 53391 2 133 . 1 . 1 21 21 ALA HB3 H 1 1.118 0.00 . . . . . . . 21 ALA HB . 53391 2 134 . 1 . 1 21 21 ALA C C 13 178.980 0.01 . . . . . . . 21 ALA C . 53391 2 135 . 1 . 1 21 21 ALA CA C 13 54.351 0.03 . . . . . . . 21 ALA CA . 53391 2 136 . 1 . 1 21 21 ALA CB C 13 17.675 0.03 . . . . . . . 21 ALA CB . 53391 2 137 . 1 . 1 21 21 ALA N N 15 122.485 0.03 . . . . . . . 21 ALA N . 53391 2 138 . 1 . 1 22 22 ILE H H 1 7.708 0.00 . . . . . . . 22 ILE H . 53391 2 139 . 1 . 1 22 22 ILE HA H 1 3.779 0.00 . . . . . . . 22 ILE HA . 53391 2 140 . 1 . 1 22 22 ILE HB H 1 1.984 0.00 . . . . . . . 22 ILE HB . 53391 2 141 . 1 . 1 22 22 ILE C C 13 177.346 0.01 . . . . . . . 22 ILE C . 53391 2 142 . 1 . 1 22 22 ILE CA C 13 64.390 0.00 . . . . . . . 22 ILE CA . 53391 2 143 . 1 . 1 22 22 ILE CB C 13 36.331 0.07 . . . . . . . 22 ILE CB . 53391 2 144 . 1 . 1 22 22 ILE N N 15 115.997 0.03 . . . . . . . 22 ILE N . 53391 2 145 . 1 . 1 23 23 ALA H H 1 7.804 0.00 . . . . . . . 23 ALA H . 53391 2 146 . 1 . 1 23 23 ALA HA H 1 4.283 0.00 . . . . . . . 23 ALA HA . 53391 2 147 . 1 . 1 23 23 ALA HB1 H 1 1.439 0.00 . . . . . . . 23 ALA HB . 53391 2 148 . 1 . 1 23 23 ALA HB2 H 1 1.439 0.00 . . . . . . . 23 ALA HB . 53391 2 149 . 1 . 1 23 23 ALA HB3 H 1 1.439 0.00 . . . . . . . 23 ALA HB . 53391 2 150 . 1 . 1 23 23 ALA C C 13 180.668 0.00 . . . . . . . 23 ALA C . 53391 2 151 . 1 . 1 23 23 ALA CA C 13 54.301 0.03 . . . . . . . 23 ALA CA . 53391 2 152 . 1 . 1 23 23 ALA CB C 13 17.212 0.00 . . . . . . . 23 ALA CB . 53391 2 153 . 1 . 1 23 23 ALA N N 15 121.185 0.03 . . . . . . . 23 ALA N . 53391 2 154 . 1 . 1 24 24 GLU H H 1 7.402 0.01 . . . . . . . 24 GLU H . 53391 2 155 . 1 . 1 24 24 GLU HA H 1 3.978 0.00 . . . . . . . 24 GLU HA . 53391 2 156 . 1 . 1 24 24 GLU HB2 H 1 2.140 0.00 . . . . . . . 24 GLU HB2 . 53391 2 157 . 1 . 1 24 24 GLU C C 13 178.875 0.01 . . . . . . . 24 GLU C . 53391 2 158 . 1 . 1 24 24 GLU CA C 13 58.517 0.01 . . . . . . . 24 GLU CA . 53391 2 159 . 1 . 1 24 24 GLU CB C 13 27.535 0.05 . . . . . . . 24 GLU CB . 53391 2 160 . 1 . 1 24 24 GLU N N 15 118.507 0.01 . . . . . . . 24 GLU N . 53391 2 161 . 1 . 1 25 25 TYR H H 1 7.337 0.01 . . . . . . . 25 TYR H . 53391 2 162 . 1 . 1 25 25 TYR HA H 1 4.050 0.00 . . . . . . . 25 TYR HA . 53391 2 163 . 1 . 1 25 25 TYR HB2 H 1 2.948 0.00 . . . . . . . 25 TYR HB2 . 53391 2 164 . 1 . 1 25 25 TYR C C 13 177.670 0.01 . . . . . . . 25 TYR C . 53391 2 165 . 1 . 1 25 25 TYR CA C 13 62.804 0.04 . . . . . . . 25 TYR CA . 53391 2 166 . 1 . 1 25 25 TYR CB C 13 38.034 0.03 . . . . . . . 25 TYR CB . 53391 2 167 . 1 . 1 25 25 TYR N N 15 117.447 0.00 . . . . . . . 25 TYR N . 53391 2 168 . 1 . 1 26 26 GLU H H 1 8.948 0.00 . . . . . . . 26 GLU H . 53391 2 169 . 1 . 1 26 26 GLU HA H 1 3.898 0.00 . . . . . . . 26 GLU HA . 53391 2 170 . 1 . 1 26 26 GLU HB2 H 1 2.113 0.00 . . . . . . . 26 GLU HB2 . 53391 2 171 . 1 . 1 26 26 GLU C C 13 179.503 0.02 . . . . . . . 26 GLU C . 53391 2 172 . 1 . 1 26 26 GLU CA C 13 60.380 0.10 . . . . . . . 26 GLU CA . 53391 2 173 . 1 . 1 26 26 GLU CB C 13 28.694 0.10 . . . . . . . 26 GLU CB . 53391 2 174 . 1 . 1 26 26 GLU N N 15 121.313 0.05 . . . . . . . 26 GLU N . 53391 2 175 . 1 . 1 27 27 LYS H H 1 7.580 0.01 . . . . . . . 27 LYS H . 53391 2 176 . 1 . 1 27 27 LYS HA H 1 4.020 0.00 . . . . . . . 27 LYS HA . 53391 2 177 . 1 . 1 27 27 LYS HB2 H 1 1.980 0.00 . . . . . . . 27 LYS HB2 . 53391 2 178 . 1 . 1 27 27 LYS C C 13 180.154 0.02 . . . . . . . 27 LYS C . 53391 2 179 . 1 . 1 27 27 LYS CA C 13 58.864 0.06 . . . . . . . 27 LYS CA . 53391 2 180 . 1 . 1 27 27 LYS CB C 13 30.950 0.05 . . . . . . . 27 LYS CB . 53391 2 181 . 1 . 1 27 27 LYS N N 15 119.316 0.01 . . . . . . . 27 LYS N . 53391 2 182 . 1 . 1 28 28 ARG H H 1 7.517 0.00 . . . . . . . 28 ARG H . 53391 2 183 . 1 . 1 28 28 ARG HA H 1 4.185 0.00 . . . . . . . 28 ARG HA . 53391 2 184 . 1 . 1 28 28 ARG HB2 H 1 1.290 0.00 . . . . . . . 28 ARG HB2 . 53391 2 185 . 1 . 1 28 28 ARG C C 13 177.499 0.01 . . . . . . . 28 ARG C . 53391 2 186 . 1 . 1 28 28 ARG CA C 13 57.991 0.06 . . . . . . . 28 ARG CA . 53391 2 187 . 1 . 1 28 28 ARG CB C 13 28.708 0.04 . . . . . . . 28 ARG CB . 53391 2 188 . 1 . 1 28 28 ARG N N 15 118.950 0.03 . . . . . . . 28 ARG N . 53391 2 189 . 1 . 1 29 29 LEU H H 1 7.770 0.01 . . . . . . . 29 LEU H . 53391 2 190 . 1 . 1 29 29 LEU HA H 1 18.494 0.00 . . . . . . . 29 LEU HA . 53391 2 191 . 1 . 1 29 29 LEU HB2 H 1 15.747 0.00 . . . . . . . 29 LEU HB2 . 53391 2 192 . 1 . 1 29 29 LEU C C 13 177.162 0.00 . . . . . . . 29 LEU C . 53391 2 193 . 1 . 1 29 29 LEU CA C 13 56.113 0.01 . . . . . . . 29 LEU CA . 53391 2 194 . 1 . 1 29 29 LEU CB C 13 42.380 0.01 . . . . . . . 29 LEU CB . 53391 2 195 . 1 . 1 29 29 LEU N N 15 117.238 0.07 . . . . . . . 29 LEU N . 53391 2 196 . 1 . 1 30 30 GLY H H 1 7.436 0.00 . . . . . . . 30 GLY H . 53391 2 197 . 1 . 1 30 30 GLY C C 13 172.793 0.00 . . . . . . . 30 GLY C . 53391 2 198 . 1 . 1 30 30 GLY CA C 13 47.971 0.00 . . . . . . . 30 GLY CA . 53391 2 199 . 1 . 1 30 30 GLY N N 15 107.356 0.02 . . . . . . . 30 GLY N . 53391 2 200 . 1 . 1 31 31 PRO HA H 1 4.289 0.00 . . . . . . . 31 PRO HA . 53391 2 201 . 1 . 1 31 31 PRO HB2 H 1 2.166 0.00 . . . . . . . 31 PRO HB2 . 53391 2 202 . 1 . 1 31 31 PRO C C 13 176.626 0.01 . . . . . . . 31 PRO C . 53391 2 203 . 1 . 1 31 31 PRO CA C 13 64.019 0.00 . . . . . . . 31 PRO CA . 53391 2 204 . 1 . 1 31 31 PRO CB C 13 30.832 0.00 . . . . . . . 31 PRO CB . 53391 2 205 . 1 . 1 32 32 TYR H H 1 8.107 0.01 . . . . . . . 32 TYR H . 53391 2 206 . 1 . 1 32 32 TYR HA H 1 4.291 0.00 . . . . . . . 32 TYR HA . 53391 2 207 . 1 . 1 32 32 TYR HB2 H 1 2.457 0.00 . . . . . . . 32 TYR HB2 . 53391 2 208 . 1 . 1 32 32 TYR C C 13 175.562 0.01 . . . . . . . 32 TYR C . 53391 2 209 . 1 . 1 32 32 TYR CA C 13 58.191 0.01 . . . . . . . 32 TYR CA . 53391 2 210 . 1 . 1 32 32 TYR CB C 13 38.376 0.02 . . . . . . . 32 TYR CB . 53391 2 211 . 1 . 1 32 32 TYR N N 15 114.836 0.12 . . . . . . . 32 TYR N . 53391 2 212 . 1 . 1 33 33 THR H H 1 7.741 0.00 . . . . . . . 33 THR H . 53391 2 213 . 1 . 1 33 33 THR HA H 1 4.651 0.00 . . . . . . . 33 THR HA . 53391 2 214 . 1 . 1 33 33 THR HB H 1 3.839 0.00 . . . . . . . 33 THR HB . 53391 2 215 . 1 . 1 33 33 THR C C 13 171.446 0.01 . . . . . . . 33 THR C . 53391 2 216 . 1 . 1 33 33 THR CA C 13 60.404 0.05 . . . . . . . 33 THR CA . 53391 2 217 . 1 . 1 33 33 THR CB C 13 67.775 0.13 . . . . . . . 33 THR CB . 53391 2 218 . 1 . 1 33 33 THR N N 15 113.444 0.09 . . . . . . . 33 THR N . 53391 2 219 . 1 . 1 34 34 LYS H H 1 7.643 0.01 . . . . . . . 34 LYS H . 53391 2 220 . 1 . 1 34 34 LYS HA H 1 4.599 0.00 . . . . . . . 34 LYS HA . 53391 2 221 . 1 . 1 34 34 LYS HB2 H 1 1.789 0.00 . . . . . . . 34 LYS HB2 . 53391 2 222 . 1 . 1 34 34 LYS C C 13 176.985 0.01 . . . . . . . 34 LYS C . 53391 2 223 . 1 . 1 34 34 LYS CA C 13 56.038 0.07 . . . . . . . 34 LYS CA . 53391 2 224 . 1 . 1 34 34 LYS CB C 13 31.630 0.05 . . . . . . . 34 LYS CB . 53391 2 225 . 1 . 1 34 34 LYS N N 15 125.167 0.02 . . . . . . . 34 LYS N . 53391 2 226 . 1 . 1 35 35 ILE H H 1 8.633 0.01 . . . . . . . 35 ILE H . 53391 2 227 . 1 . 1 35 35 ILE HA H 1 5.564 0.00 . . . . . . . 35 ILE HA . 53391 2 228 . 1 . 1 35 35 ILE HB H 1 1.870 0.00 . . . . . . . 35 ILE HB . 53391 2 229 . 1 . 1 35 35 ILE C C 13 173.327 0.01 . . . . . . . 35 ILE C . 53391 2 230 . 1 . 1 35 35 ILE CA C 13 58.001 0.00 . . . . . . . 35 ILE CA . 53391 2 231 . 1 . 1 35 35 ILE CB C 13 40.007 0.03 . . . . . . . 35 ILE CB . 53391 2 232 . 1 . 1 35 35 ILE N N 15 126.358 0.04 . . . . . . . 35 ILE N . 53391 2 233 . 1 . 1 36 36 ASP H H 1 8.485 0.00 . . . . . . . 36 ASP H . 53391 2 234 . 1 . 1 36 36 ASP HA H 1 4.991 0.00 . . . . . . . 36 ASP HA . 53391 2 235 . 1 . 1 36 36 ASP HB2 H 1 2.667 0.00 . . . . . . . 36 ASP HB2 . 53391 2 236 . 1 . 1 36 36 ASP C C 13 174.337 0.01 . . . . . . . 36 ASP C . 53391 2 237 . 1 . 1 36 36 ASP CA C 13 52.653 0.05 . . . . . . . 36 ASP CA . 53391 2 238 . 1 . 1 36 36 ASP CB C 13 43.345 0.01 . . . . . . . 36 ASP CB . 53391 2 239 . 1 . 1 36 36 ASP N N 15 126.988 0.02 . . . . . . . 36 ASP N . 53391 2 240 . 1 . 1 37 37 ILE H H 1 8.545 0.00 . . . . . . . 37 ILE H . 53391 2 241 . 1 . 1 37 37 ILE HA H 1 4.831 0.00 . . . . . . . 37 ILE HA . 53391 2 242 . 1 . 1 37 37 ILE HB H 1 1.924 0.00 . . . . . . . 37 ILE HB . 53391 2 243 . 1 . 1 37 37 ILE C C 13 175.187 0.03 . . . . . . . 37 ILE C . 53391 2 244 . 1 . 1 37 37 ILE CA C 13 60.593 0.06 . . . . . . . 37 ILE CA . 53391 2 245 . 1 . 1 37 37 ILE CB C 13 37.348 0.00 . . . . . . . 37 ILE CB . 53391 2 246 . 1 . 1 37 37 ILE N N 15 124.087 0.03 . . . . . . . 37 ILE N . 53391 2 247 . 1 . 1 38 38 ILE H H 1 9.344 0.01 . . . . . . . 38 ILE H . 53391 2 248 . 1 . 1 38 38 ILE HA H 1 4.292 0.00 . . . . . . . 38 ILE HA . 53391 2 249 . 1 . 1 38 38 ILE HB H 1 1.851 0.00 . . . . . . . 38 ILE HB . 53391 2 250 . 1 . 1 38 38 ILE C C 13 174.020 0.00 . . . . . . . 38 ILE C . 53391 2 251 . 1 . 1 38 38 ILE CA C 13 59.841 0.02 . . . . . . . 38 ILE CA . 53391 2 252 . 1 . 1 38 38 ILE CB C 13 39.460 0.03 . . . . . . . 38 ILE CB . 53391 2 253 . 1 . 1 38 38 ILE N N 15 131.175 0.08 . . . . . . . 38 ILE N . 53391 2 254 . 1 . 1 39 39 GLU H H 1 8.357 0.00 . . . . . . . 39 GLU H . 53391 2 255 . 1 . 1 39 39 GLU HA H 1 5.288 0.00 . . . . . . . 39 GLU HA . 53391 2 256 . 1 . 1 39 39 GLU HB2 H 1 1.729 0.00 . . . . . . . 39 GLU HB2 . 53391 2 257 . 1 . 1 39 39 GLU C C 13 176.934 0.01 . . . . . . . 39 GLU C . 53391 2 258 . 1 . 1 39 39 GLU CA C 13 53.724 0.04 . . . . . . . 39 GLU CA . 53391 2 259 . 1 . 1 39 39 GLU CB C 13 29.870 0.10 . . . . . . . 39 GLU CB . 53391 2 260 . 1 . 1 39 39 GLU N N 15 124.705 0.01 . . . . . . . 39 GLU N . 53391 2 261 . 1 . 1 40 40 VAL H H 1 8.881 0.00 . . . . . . . 40 VAL H . 53391 2 262 . 1 . 1 40 40 VAL C C 13 173.409 0.00 . . . . . . . 40 VAL C . 53391 2 263 . 1 . 1 40 40 VAL CA C 13 57.700 0.00 . . . . . . . 40 VAL CA . 53391 2 264 . 1 . 1 40 40 VAL CB C 13 32.054 0.00 . . . . . . . 40 VAL CB . 53391 2 265 . 1 . 1 40 40 VAL N N 15 122.979 0.04 . . . . . . . 40 VAL N . 53391 2 266 . 1 . 1 41 41 PRO HA H 1 4.188 0.00 . . . . . . . 41 PRO HA . 53391 2 267 . 1 . 1 41 41 PRO HB2 H 1 1.942 0.00 . . . . . . . 41 PRO HB2 . 53391 2 268 . 1 . 1 41 41 PRO C C 13 176.145 0.00 . . . . . . . 41 PRO C . 53391 2 269 . 1 . 1 41 41 PRO CA C 13 63.736 0.00 . . . . . . . 41 PRO CA . 53391 2 270 . 1 . 1 41 41 PRO CB C 13 31.216 0.00 . . . . . . . 41 PRO CB . 53391 2 271 . 1 . 1 42 42 ASP H H 1 8.685 0.01 . . . . . . . 42 ASP H . 53391 2 272 . 1 . 1 42 42 ASP HA H 1 4.500 0.00 . . . . . . . 42 ASP HA . 53391 2 273 . 1 . 1 42 42 ASP HB2 H 1 2.547 0.00 . . . . . . . 42 ASP HB2 . 53391 2 274 . 1 . 1 42 42 ASP C C 13 176.120 0.01 . . . . . . . 42 ASP C . 53391 2 275 . 1 . 1 42 42 ASP CA C 13 51.853 0.00 . . . . . . . 42 ASP CA . 53391 2 276 . 1 . 1 42 42 ASP CB C 13 40.502 0.04 . . . . . . . 42 ASP CB . 53391 2 277 . 1 . 1 42 42 ASP N N 15 119.210 0.02 . . . . . . . 42 ASP N . 53391 2 278 . 1 . 1 43 43 GLU H H 1 9.523 0.01 . . . . . . . 43 GLU H . 53391 2 279 . 1 . 1 43 43 GLU HA H 1 4.348 0.00 . . . . . . . 43 GLU HA . 53391 2 280 . 1 . 1 43 43 GLU HB2 H 1 2.030 0.00 . . . . . . . 43 GLU HB2 . 53391 2 281 . 1 . 1 43 43 GLU C C 13 175.972 0.02 . . . . . . . 43 GLU C . 53391 2 282 . 1 . 1 43 43 GLU CA C 13 54.486 0.03 . . . . . . . 43 GLU CA . 53391 2 283 . 1 . 1 43 43 GLU CB C 13 30.163 0.20 . . . . . . . 43 GLU CB . 53391 2 284 . 1 . 1 43 43 GLU N N 15 122.775 0.05 . . . . . . . 43 GLU N . 53391 2 285 . 1 . 1 44 44 LYS H H 1 8.251 0.00 . . . . . . . 44 LYS H . 53391 2 286 . 1 . 1 44 44 LYS HA H 1 4.125 0.00 . . . . . . . 44 LYS HA . 53391 2 287 . 1 . 1 44 44 LYS HB2 H 1 1.771 0.00 . . . . . . . 44 LYS HB2 . 53391 2 288 . 1 . 1 44 44 LYS C C 13 175.528 0.01 . . . . . . . 44 LYS C . 53391 2 289 . 1 . 1 44 44 LYS CA C 13 56.300 0.02 . . . . . . . 44 LYS CA . 53391 2 290 . 1 . 1 44 44 LYS CB C 13 31.216 0.07 . . . . . . . 44 LYS CB . 53391 2 291 . 1 . 1 44 44 LYS N N 15 125.382 0.03 . . . . . . . 44 LYS N . 53391 2 292 . 1 . 1 45 45 ALA H H 1 8.201 0.00 . . . . . . . 45 ALA H . 53391 2 293 . 1 . 1 45 45 ALA C C 13 174.935 0.00 . . . . . . . 45 ALA C . 53391 2 294 . 1 . 1 45 45 ALA CA C 13 49.506 0.00 . . . . . . . 45 ALA CA . 53391 2 295 . 1 . 1 45 45 ALA CB C 13 18.691 0.00 . . . . . . . 45 ALA CB . 53391 2 296 . 1 . 1 45 45 ALA N N 15 127.971 0.03 . . . . . . . 45 ALA N . 53391 2 297 . 1 . 1 46 46 PRO HA H 1 4.437 0.00 . . . . . . . 46 PRO HA . 53391 2 298 . 1 . 1 46 46 PRO HB2 H 1 2.070 0.00 . . . . . . . 46 PRO HB2 . 53391 2 299 . 1 . 1 46 46 PRO C C 13 176.146 0.01 . . . . . . . 46 PRO C . 53391 2 300 . 1 . 1 46 46 PRO CA C 13 61.946 0.00 . . . . . . . 46 PRO CA . 53391 2 301 . 1 . 1 46 46 PRO CB C 13 31.403 0.00 . . . . . . . 46 PRO CB . 53391 2 302 . 1 . 1 47 47 GLU H H 1 8.341 0.00 . . . . . . . 47 GLU H . 53391 2 303 . 1 . 1 47 47 GLU HA H 1 4.001 0.00 . . . . . . . 47 GLU HA . 53391 2 304 . 1 . 1 47 47 GLU HB2 H 1 2.018 0.00 . . . . . . . 47 GLU HB2 . 53391 2 305 . 1 . 1 47 47 GLU C C 13 176.693 0.01 . . . . . . . 47 GLU C . 53391 2 306 . 1 . 1 47 47 GLU CA C 13 57.577 0.01 . . . . . . . 47 GLU CA . 53391 2 307 . 1 . 1 47 47 GLU CB C 13 29.215 0.01 . . . . . . . 47 GLU CB . 53391 2 308 . 1 . 1 47 47 GLU N N 15 119.070 0.03 . . . . . . . 47 GLU N . 53391 2 309 . 1 . 1 48 48 ASN H H 1 8.216 0.01 . . . . . . . 48 ASN H . 53391 2 310 . 1 . 1 48 48 ASN HA H 1 4.756 0.00 . . . . . . . 48 ASN HA . 53391 2 311 . 1 . 1 48 48 ASN HB2 H 1 2.796 0.00 . . . . . . . 48 ASN HB2 . 53391 2 312 . 1 . 1 48 48 ASN C C 13 174.577 0.01 . . . . . . . 48 ASN C . 53391 2 313 . 1 . 1 48 48 ASN CA C 13 52.633 0.04 . . . . . . . 48 ASN CA . 53391 2 314 . 1 . 1 48 48 ASN CB C 13 37.678 0.02 . . . . . . . 48 ASN CB . 53391 2 315 . 1 . 1 48 48 ASN N N 15 115.987 0.07 . . . . . . . 48 ASN N . 53391 2 316 . 1 . 1 49 49 MET H H 1 7.870 0.01 . . . . . . . 49 MET H . 53391 2 317 . 1 . 1 49 49 MET HA H 1 4.351 0.00 . . . . . . . 49 MET HA . 53391 2 318 . 1 . 1 49 49 MET HB2 H 1 1.992 0.00 . . . . . . . 49 MET HB2 . 53391 2 319 . 1 . 1 49 49 MET C C 13 176.152 0.01 . . . . . . . 49 MET C . 53391 2 320 . 1 . 1 49 49 MET CA C 13 56.030 0.01 . . . . . . . 49 MET CA . 53391 2 321 . 1 . 1 49 49 MET CB C 13 34.405 0.03 . . . . . . . 49 MET CB . 53391 2 322 . 1 . 1 49 49 MET N N 15 119.691 0.08 . . . . . . . 49 MET N . 53391 2 323 . 1 . 1 50 50 SER H H 1 8.668 0.00 . . . . . . . 50 SER H . 53391 2 324 . 1 . 1 50 50 SER HA H 1 4.680 0.00 . . . . . . . 50 SER HA . 53391 2 325 . 1 . 1 50 50 SER HB2 H 1 4.019 0.00 . . . . . . . 50 SER HB2 . 53391 2 326 . 1 . 1 50 50 SER C C 13 174.767 0.02 . . . . . . . 50 SER C . 53391 2 327 . 1 . 1 50 50 SER CA C 13 56.826 0.01 . . . . . . . 50 SER CA . 53391 2 328 . 1 . 1 50 50 SER CB C 13 64.743 0.03 . . . . . . . 50 SER CB . 53391 2 329 . 1 . 1 50 50 SER N N 15 118.238 0.00 . . . . . . . 50 SER N . 53391 2 330 . 1 . 1 51 51 ASP H H 1 8.759 0.00 . . . . . . . 51 ASP H . 53391 2 331 . 1 . 1 51 51 ASP HA H 1 4.361 0.00 . . . . . . . 51 ASP HA . 53391 2 332 . 1 . 1 51 51 ASP HB2 H 1 2.850 0.00 . . . . . . . 51 ASP HB2 . 53391 2 333 . 1 . 1 51 51 ASP C C 13 178.777 0.01 . . . . . . . 51 ASP C . 53391 2 334 . 1 . 1 51 51 ASP CA C 13 57.566 0.12 . . . . . . . 51 ASP CA . 53391 2 335 . 1 . 1 51 51 ASP CB C 13 39.343 0.04 . . . . . . . 51 ASP CB . 53391 2 336 . 1 . 1 51 51 ASP N N 15 121.464 0.02 . . . . . . . 51 ASP N . 53391 2 337 . 1 . 1 52 52 LYS H H 1 8.195 0.00 . . . . . . . 52 LYS H . 53391 2 338 . 1 . 1 52 52 LYS HA H 1 4.101 0.00 . . . . . . . 52 LYS HA . 53391 2 339 . 1 . 1 52 52 LYS HB2 H 1 1.786 0.00 . . . . . . . 52 LYS HB2 . 53391 2 340 . 1 . 1 52 52 LYS C C 13 179.207 0.01 . . . . . . . 52 LYS C . 53391 2 341 . 1 . 1 52 52 LYS CA C 13 58.850 0.11 . . . . . . . 52 LYS CA . 53391 2 342 . 1 . 1 52 52 LYS CB C 13 31.331 0.02 . . . . . . . 52 LYS CB . 53391 2 343 . 1 . 1 52 52 LYS N N 15 119.953 0.03 . . . . . . . 52 LYS N . 53391 2 344 . 1 . 1 53 53 GLU H H 1 7.573 0.00 . . . . . . . 53 GLU H . 53391 2 345 . 1 . 1 53 53 GLU HA H 1 4.169 0.00 . . . . . . . 53 GLU HA . 53391 2 346 . 1 . 1 53 53 GLU HB2 H 1 2.055 0.00 . . . . . . . 53 GLU HB2 . 53391 2 347 . 1 . 1 53 53 GLU C C 13 179.268 0.02 . . . . . . . 53 GLU C . 53391 2 348 . 1 . 1 53 53 GLU CA C 13 58.810 0.07 . . . . . . . 53 GLU CA . 53391 2 349 . 1 . 1 53 53 GLU CB C 13 28.898 0.14 . . . . . . . 53 GLU CB . 53391 2 350 . 1 . 1 53 53 GLU N N 15 120.483 0.04 . . . . . . . 53 GLU N . 53391 2 351 . 1 . 1 54 54 ILE H H 1 8.271 0.00 . . . . . . . 54 ILE H . 53391 2 352 . 1 . 1 54 54 ILE HA H 1 3.827 0.00 . . . . . . . 54 ILE HA . 53391 2 353 . 1 . 1 54 54 ILE HB H 1 1.970 0.00 . . . . . . . 54 ILE HB . 53391 2 354 . 1 . 1 54 54 ILE C C 13 178.109 0.02 . . . . . . . 54 ILE C . 53391 2 355 . 1 . 1 54 54 ILE CA C 13 64.710 0.01 . . . . . . . 54 ILE CA . 53391 2 356 . 1 . 1 54 54 ILE CB C 13 36.829 0.08 . . . . . . . 54 ILE CB . 53391 2 357 . 1 . 1 54 54 ILE N N 15 121.778 0.03 . . . . . . . 54 ILE N . 53391 2 358 . 1 . 1 55 55 GLU H H 1 7.810 0.00 . . . . . . . 55 GLU H . 53391 2 359 . 1 . 1 55 55 GLU HA H 1 4.125 0.00 . . . . . . . 55 GLU HA . 53391 2 360 . 1 . 1 55 55 GLU HB2 H 1 2.192 0.00 . . . . . . . 55 GLU HB2 . 53391 2 361 . 1 . 1 55 55 GLU C C 13 178.750 0.01 . . . . . . . 55 GLU C . 53391 2 362 . 1 . 1 55 55 GLU CA C 13 59.160 0.14 . . . . . . . 55 GLU CA . 53391 2 363 . 1 . 1 55 55 GLU CB C 13 28.007 0.02 . . . . . . . 55 GLU CB . 53391 2 364 . 1 . 1 55 55 GLU N N 15 119.478 0.03 . . . . . . . 55 GLU N . 53391 2 365 . 1 . 1 56 56 GLN H H 1 7.574 0.00 . . . . . . . 56 GLN H . 53391 2 366 . 1 . 1 56 56 GLN HA H 1 4.077 0.00 . . . . . . . 56 GLN HA . 53391 2 367 . 1 . 1 56 56 GLN HB2 H 1 2.079 0.00 . . . . . . . 56 GLN HB2 . 53391 2 368 . 1 . 1 56 56 GLN C C 13 178.896 0.01 . . . . . . . 56 GLN C . 53391 2 369 . 1 . 1 56 56 GLN CA C 13 58.824 0.01 . . . . . . . 56 GLN CA . 53391 2 370 . 1 . 1 56 56 GLN CB C 13 27.679 0.05 . . . . . . . 56 GLN CB . 53391 2 371 . 1 . 1 56 56 GLN N N 15 118.501 0.00 . . . . . . . 56 GLN N . 53391 2 372 . 1 . 1 57 57 VAL H H 1 7.831 0.01 . . . . . . . 57 VAL H . 53391 2 373 . 1 . 1 57 57 VAL HA H 1 3.830 0.00 . . . . . . . 57 VAL HA . 53391 2 374 . 1 . 1 57 57 VAL HB H 1 1.861 0.00 . . . . . . . 57 VAL HB . 53391 2 375 . 1 . 1 57 57 VAL C C 13 178.137 0.01 . . . . . . . 57 VAL C . 53391 2 376 . 1 . 1 57 57 VAL CA C 13 66.489 0.11 . . . . . . . 57 VAL CA . 53391 2 377 . 1 . 1 57 57 VAL CB C 13 30.527 0.09 . . . . . . . 57 VAL CB . 53391 2 378 . 1 . 1 57 57 VAL N N 15 120.789 0.02 . . . . . . . 57 VAL N . 53391 2 379 . 1 . 1 58 58 LYS H H 1 8.144 0.00 . . . . . . . 58 LYS H . 53391 2 380 . 1 . 1 58 58 LYS HA H 1 4.162 0.00 . . . . . . . 58 LYS HA . 53391 2 381 . 1 . 1 58 58 LYS HB2 H 1 1.860 0.00 . . . . . . . 58 LYS HB2 . 53391 2 382 . 1 . 1 58 58 LYS C C 13 180.342 0.01 . . . . . . . 58 LYS C . 53391 2 383 . 1 . 1 58 58 LYS CA C 13 59.633 0.06 . . . . . . . 58 LYS CA . 53391 2 384 . 1 . 1 58 58 LYS CB C 13 31.226 0.06 . . . . . . . 58 LYS CB . 53391 2 385 . 1 . 1 58 58 LYS N N 15 117.960 0.02 . . . . . . . 58 LYS N . 53391 2 386 . 1 . 1 59 59 GLU H H 1 8.687 0.01 . . . . . . . 59 GLU H . 53391 2 387 . 1 . 1 59 59 GLU HA H 1 4.134 0.00 . . . . . . . 59 GLU HA . 53391 2 388 . 1 . 1 59 59 GLU HB2 H 1 2.141 0.00 . . . . . . . 59 GLU HB2 . 53391 2 389 . 1 . 1 59 59 GLU C C 13 178.413 0.02 . . . . . . . 59 GLU C . 53391 2 390 . 1 . 1 59 59 GLU CA C 13 59.174 0.16 . . . . . . . 59 GLU CA . 53391 2 391 . 1 . 1 59 59 GLU CB C 13 28.337 0.07 . . . . . . . 59 GLU CB . 53391 2 392 . 1 . 1 59 59 GLU N N 15 123.520 0.01 . . . . . . . 59 GLU N . 53391 2 393 . 1 . 1 60 60 LYS H H 1 7.825 0.01 . . . . . . . 60 LYS H . 53391 2 394 . 1 . 1 60 60 LYS HA H 1 3.941 0.00 . . . . . . . 60 LYS HA . 53391 2 395 . 1 . 1 60 60 LYS HB2 H 1 1.845 0.00 . . . . . . . 60 LYS HB2 . 53391 2 396 . 1 . 1 60 60 LYS C C 13 180.225 0.00 . . . . . . . 60 LYS C . 53391 2 397 . 1 . 1 60 60 LYS CA C 13 59.543 0.19 . . . . . . . 60 LYS CA . 53391 2 398 . 1 . 1 60 60 LYS CB C 13 31.407 0.00 . . . . . . . 60 LYS CB . 53391 2 399 . 1 . 1 60 60 LYS N N 15 120.544 0.02 . . . . . . . 60 LYS N . 53391 2 400 . 1 . 1 61 61 GLU H H 1 7.873 0.00 . . . . . . . 61 GLU H . 53391 2 401 . 1 . 1 61 61 GLU HA H 1 17.906 0.00 . . . . . . . 61 GLU HA . 53391 2 402 . 1 . 1 61 61 GLU HB2 H 1 16.020 0.00 . . . . . . . 61 GLU HB2 . 53391 2 403 . 1 . 1 61 61 GLU C C 13 178.768 0.02 . . . . . . . 61 GLU C . 53391 2 404 . 1 . 1 61 61 GLU CA C 13 59.405 0.07 . . . . . . . 61 GLU CA . 53391 2 405 . 1 . 1 61 61 GLU CB C 13 29.066 0.03 . . . . . . . 61 GLU CB . 53391 2 406 . 1 . 1 61 61 GLU N N 15 117.956 0.03 . . . . . . . 61 GLU N . 53391 2 407 . 1 . 1 62 62 GLY H H 1 8.460 0.00 . . . . . . . 62 GLY H . 53391 2 408 . 1 . 1 62 62 GLY HA2 H 1 3.864 0.00 . . . . . . . 62 GLY HA2 . 53391 2 409 . 1 . 1 62 62 GLY C C 13 175.750 0.00 . . . . . . . 62 GLY C . 53391 2 410 . 1 . 1 62 62 GLY CA C 13 47.205 0.04 . . . . . . . 62 GLY CA . 53391 2 411 . 1 . 1 62 62 GLY N N 15 107.724 0.03 . . . . . . . 62 GLY N . 53391 2 412 . 1 . 1 63 63 GLN H H 1 7.981 0.00 . . . . . . . 63 GLN H . 53391 2 413 . 1 . 1 63 63 GLN HA H 1 3.920 0.00 . . . . . . . 63 GLN HA . 53391 2 414 . 1 . 1 63 63 GLN HB2 H 1 2.099 0.00 . . . . . . . 63 GLN HB2 . 53391 2 415 . 1 . 1 63 63 GLN C C 13 179.621 0.02 . . . . . . . 63 GLN C . 53391 2 416 . 1 . 1 63 63 GLN CA C 13 58.251 0.05 . . . . . . . 63 GLN CA . 53391 2 417 . 1 . 1 63 63 GLN CB C 13 27.395 0.05 . . . . . . . 63 GLN CB . 53391 2 418 . 1 . 1 63 63 GLN N N 15 120.059 0.05 . . . . . . . 63 GLN N . 53391 2 419 . 1 . 1 64 64 ARG H H 1 7.125 0.00 . . . . . . . 64 ARG H . 53391 2 420 . 1 . 1 64 64 ARG HA H 1 3.970 0.00 . . . . . . . 64 ARG HA . 53391 2 421 . 1 . 1 64 64 ARG HB2 H 1 1.936 0.00 . . . . . . . 64 ARG HB2 . 53391 2 422 . 1 . 1 64 64 ARG C C 13 178.934 0.01 . . . . . . . 64 ARG C . 53391 2 423 . 1 . 1 64 64 ARG CA C 13 59.009 0.02 . . . . . . . 64 ARG CA . 53391 2 424 . 1 . 1 64 64 ARG CB C 13 29.620 0.02 . . . . . . . 64 ARG CB . 53391 2 425 . 1 . 1 64 64 ARG N N 15 118.296 0.01 . . . . . . . 64 ARG N . 53391 2 426 . 1 . 1 65 65 ILE H H 1 7.787 0.00 . . . . . . . 65 ILE H . 53391 2 427 . 1 . 1 65 65 ILE HA H 1 3.669 0.00 . . . . . . . 65 ILE HA . 53391 2 428 . 1 . 1 65 65 ILE HB H 1 2.108 0.00 . . . . . . . 65 ILE HB . 53391 2 429 . 1 . 1 65 65 ILE C C 13 177.857 0.01 . . . . . . . 65 ILE C . 53391 2 430 . 1 . 1 65 65 ILE CA C 13 64.877 0.01 . . . . . . . 65 ILE CA . 53391 2 431 . 1 . 1 65 65 ILE CB C 13 37.645 0.06 . . . . . . . 65 ILE CB . 53391 2 432 . 1 . 1 65 65 ILE N N 15 119.724 0.01 . . . . . . . 65 ILE N . 53391 2 433 . 1 . 1 66 66 LEU H H 1 8.476 0.01 . . . . . . . 66 LEU H . 53391 2 434 . 1 . 1 66 66 LEU HA H 1 3.889 0.00 . . . . . . . 66 LEU HA . 53391 2 435 . 1 . 1 66 66 LEU HB2 H 1 1.665 0.00 . . . . . . . 66 LEU HB2 . 53391 2 436 . 1 . 1 66 66 LEU C C 13 179.466 0.02 . . . . . . . 66 LEU C . 53391 2 437 . 1 . 1 66 66 LEU CA C 13 57.591 0.06 . . . . . . . 66 LEU CA . 53391 2 438 . 1 . 1 66 66 LEU CB C 13 39.925 0.04 . . . . . . . 66 LEU CB . 53391 2 439 . 1 . 1 66 66 LEU N N 15 117.185 0.06 . . . . . . . 66 LEU N . 53391 2 440 . 1 . 1 67 67 ALA H H 1 7.338 0.00 . . . . . . . 67 ALA H . 53391 2 441 . 1 . 1 67 67 ALA HA H 1 4.252 0.00 . . . . . . . 67 ALA HA . 53391 2 442 . 1 . 1 67 67 ALA HB1 H 1 1.503 0.00 . . . . . . . 67 ALA HB . 53391 2 443 . 1 . 1 67 67 ALA HB2 H 1 1.503 0.00 . . . . . . . 67 ALA HB . 53391 2 444 . 1 . 1 67 67 ALA HB3 H 1 1.503 0.00 . . . . . . . 67 ALA HB . 53391 2 445 . 1 . 1 67 67 ALA C C 13 178.851 0.01 . . . . . . . 67 ALA C . 53391 2 446 . 1 . 1 67 67 ALA CA C 13 53.508 0.04 . . . . . . . 67 ALA CA . 53391 2 447 . 1 . 1 67 67 ALA CB C 13 17.615 0.00 . . . . . . . 67 ALA CB . 53391 2 448 . 1 . 1 67 67 ALA N N 15 119.094 0.02 . . . . . . . 67 ALA N . 53391 2 449 . 1 . 1 68 68 LYS H H 1 7.398 0.01 . . . . . . . 68 LYS H . 53391 2 450 . 1 . 1 68 68 LYS HA H 1 4.453 0.00 . . . . . . . 68 LYS HA . 53391 2 451 . 1 . 1 68 68 LYS HB2 H 1 2.057 0.00 . . . . . . . 68 LYS HB2 . 53391 2 452 . 1 . 1 68 68 LYS C C 13 175.624 0.02 . . . . . . . 68 LYS C . 53391 2 453 . 1 . 1 68 68 LYS CA C 13 53.864 0.07 . . . . . . . 68 LYS CA . 53391 2 454 . 1 . 1 68 68 LYS CB C 13 32.325 0.04 . . . . . . . 68 LYS CB . 53391 2 455 . 1 . 1 68 68 LYS N N 15 115.020 0.02 . . . . . . . 68 LYS N . 53391 2 456 . 1 . 1 69 69 ILE H H 1 7.162 0.00 . . . . . . . 69 ILE H . 53391 2 457 . 1 . 1 69 69 ILE HA H 1 4.130 0.00 . . . . . . . 69 ILE HA . 53391 2 458 . 1 . 1 69 69 ILE HB H 1 1.860 0.00 . . . . . . . 69 ILE HB . 53391 2 459 . 1 . 1 69 69 ILE C C 13 175.568 0.03 . . . . . . . 69 ILE C . 53391 2 460 . 1 . 1 69 69 ILE CA C 13 61.041 0.02 . . . . . . . 69 ILE CA . 53391 2 461 . 1 . 1 69 69 ILE CB C 13 38.492 0.03 . . . . . . . 69 ILE CB . 53391 2 462 . 1 . 1 69 69 ILE N N 15 120.634 0.04 . . . . . . . 69 ILE N . 53391 2 463 . 1 . 1 70 70 LYS H H 1 8.653 0.01 . . . . . . . 70 LYS H . 53391 2 464 . 1 . 1 70 70 LYS C C 13 176.728 0.00 . . . . . . . 70 LYS C . 53391 2 465 . 1 . 1 70 70 LYS CA C 13 53.913 0.00 . . . . . . . 70 LYS CA . 53391 2 466 . 1 . 1 70 70 LYS CB C 13 30.248 0.00 . . . . . . . 70 LYS CB . 53391 2 467 . 1 . 1 70 70 LYS N N 15 129.687 0.03 . . . . . . . 70 LYS N . 53391 2 468 . 1 . 1 71 71 PRO HA H 1 18.431 0.00 . . . . . . . 71 PRO HA . 53391 2 469 . 1 . 1 71 71 PRO HB2 H 1 16.256 0.00 . . . . . . . 71 PRO HB2 . 53391 2 470 . 1 . 1 71 71 PRO C C 13 177.399 0.00 . . . . . . . 71 PRO C . 53391 2 471 . 1 . 1 71 71 PRO CA C 13 64.975 0.00 . . . . . . . 71 PRO CA . 53391 2 472 . 1 . 1 71 71 PRO CB C 13 30.972 0.00 . . . . . . . 71 PRO CB . 53391 2 473 . 1 . 1 72 72 GLN H H 1 8.039 0.00 . . . . . . . 72 GLN H . 53391 2 474 . 1 . 1 72 72 GLN HA H 1 4.448 0.00 . . . . . . . 72 GLN HA . 53391 2 475 . 1 . 1 72 72 GLN HB2 H 1 2.048 0.00 . . . . . . . 72 GLN HB2 . 53391 2 476 . 1 . 1 72 72 GLN C C 13 176.576 0.00 . . . . . . . 72 GLN C . 53391 2 477 . 1 . 1 72 72 GLN CA C 13 56.145 0.10 . . . . . . . 72 GLN CA . 53391 2 478 . 1 . 1 72 72 GLN CB C 13 27.032 0.06 . . . . . . . 72 GLN CB . 53391 2 479 . 1 . 1 72 72 GLN N N 15 111.790 0.02 . . . . . . . 72 GLN N . 53391 2 480 . 1 . 1 73 73 SER H H 1 7.314 0.00 . . . . . . . 73 SER H . 53391 2 481 . 1 . 1 73 73 SER HA H 1 4.276 0.00 . . . . . . . 73 SER HA . 53391 2 482 . 1 . 1 73 73 SER HB2 H 1 3.533 0.00 . . . . . . . 73 SER HB2 . 53391 2 483 . 1 . 1 73 73 SER C C 13 174.685 0.02 . . . . . . . 73 SER C . 53391 2 484 . 1 . 1 73 73 SER CA C 13 60.004 0.03 . . . . . . . 73 SER CA . 53391 2 485 . 1 . 1 73 73 SER CB C 13 62.492 0.06 . . . . . . . 73 SER CB . 53391 2 486 . 1 . 1 73 73 SER N N 15 116.117 0.05 . . . . . . . 73 SER N . 53391 2 487 . 1 . 1 74 74 THR H H 1 8.804 0.01 . . . . . . . 74 THR H . 53391 2 488 . 1 . 1 74 74 THR HA H 1 3.899 0.00 . . . . . . . 74 THR HA . 53391 2 489 . 1 . 1 74 74 THR HB H 1 3.691 0.00 . . . . . . . 74 THR HB . 53391 2 490 . 1 . 1 74 74 THR C C 13 172.629 0.01 . . . . . . . 74 THR C . 53391 2 491 . 1 . 1 74 74 THR CA C 13 62.593 0.05 . . . . . . . 74 THR CA . 53391 2 492 . 1 . 1 74 74 THR CB C 13 68.510 0.00 . . . . . . . 74 THR CB . 53391 2 493 . 1 . 1 74 74 THR N N 15 124.939 0.02 . . . . . . . 74 THR N . 53391 2 494 . 1 . 1 75 75 VAL H H 1 9.801 0.01 . . . . . . . 75 VAL H . 53391 2 495 . 1 . 1 75 75 VAL HA H 1 4.714 0.00 . . . . . . . 75 VAL HA . 53391 2 496 . 1 . 1 75 75 VAL HB H 1 2.036 0.00 . . . . . . . 75 VAL HB . 53391 2 497 . 1 . 1 75 75 VAL C C 13 174.341 0.03 . . . . . . . 75 VAL C . 53391 2 498 . 1 . 1 75 75 VAL CA C 13 60.743 0.04 . . . . . . . 75 VAL CA . 53391 2 499 . 1 . 1 75 75 VAL CB C 13 32.157 0.06 . . . . . . . 75 VAL CB . 53391 2 500 . 1 . 1 75 75 VAL N N 15 131.493 0.04 . . . . . . . 75 VAL N . 53391 2 501 . 1 . 1 76 76 ILE H H 1 9.389 0.01 . . . . . . . 76 ILE H . 53391 2 502 . 1 . 1 76 76 ILE HA H 1 5.401 0.00 . . . . . . . 76 ILE HA . 53391 2 503 . 1 . 1 76 76 ILE HB H 1 1.237 0.00 . . . . . . . 76 ILE HB . 53391 2 504 . 1 . 1 76 76 ILE C C 13 176.212 0.01 . . . . . . . 76 ILE C . 53391 2 505 . 1 . 1 76 76 ILE CA C 13 59.184 0.10 . . . . . . . 76 ILE CA . 53391 2 506 . 1 . 1 76 76 ILE CB C 13 38.248 0.02 . . . . . . . 76 ILE CB . 53391 2 507 . 1 . 1 76 76 ILE N N 15 131.101 0.01 . . . . . . . 76 ILE N . 53391 2 508 . 1 . 1 77 77 THR H H 1 8.921 0.01 . . . . . . . 77 THR H . 53391 2 509 . 1 . 1 77 77 THR HA H 1 4.521 0.00 . . . . . . . 77 THR HA . 53391 2 510 . 1 . 1 77 77 THR HB H 1 3.969 0.00 . . . . . . . 77 THR HB . 53391 2 511 . 1 . 1 77 77 THR C C 13 173.511 0.01 . . . . . . . 77 THR C . 53391 2 512 . 1 . 1 77 77 THR CA C 13 58.765 0.08 . . . . . . . 77 THR CA . 53391 2 513 . 1 . 1 77 77 THR CB C 13 67.449 0.00 . . . . . . . 77 THR CB . 53391 2 514 . 1 . 1 77 77 THR N N 15 116.336 0.03 . . . . . . . 77 THR N . 53391 2 515 . 1 . 1 78 78 LEU H H 1 7.900 0.01 . . . . . . . 78 LEU H . 53391 2 516 . 1 . 1 78 78 LEU HA H 1 4.355 0.00 . . . . . . . 78 LEU HA . 53391 2 517 . 1 . 1 78 78 LEU HB2 H 1 1.360 0.00 . . . . . . . 78 LEU HB2 . 53391 2 518 . 1 . 1 78 78 LEU C C 13 176.120 0.02 . . . . . . . 78 LEU C . 53391 2 519 . 1 . 1 78 78 LEU CA C 13 53.180 0.00 . . . . . . . 78 LEU CA . 53391 2 520 . 1 . 1 78 78 LEU CB C 13 37.950 0.03 . . . . . . . 78 LEU CB . 53391 2 521 . 1 . 1 78 78 LEU N N 15 125.762 0.03 . . . . . . . 78 LEU N . 53391 2 522 . 1 . 1 79 79 GLU H H 1 8.109 0.01 . . . . . . . 79 GLU H . 53391 2 523 . 1 . 1 79 79 GLU HA H 1 4.636 0.00 . . . . . . . 79 GLU HA . 53391 2 524 . 1 . 1 79 79 GLU HB2 H 1 2.104 0.00 . . . . . . . 79 GLU HB2 . 53391 2 525 . 1 . 1 79 79 GLU C C 13 177.020 0.00 . . . . . . . 79 GLU C . 53391 2 526 . 1 . 1 79 79 GLU CA C 13 54.243 0.08 . . . . . . . 79 GLU CA . 53391 2 527 . 1 . 1 79 79 GLU CB C 13 33.410 0.01 . . . . . . . 79 GLU CB . 53391 2 528 . 1 . 1 79 79 GLU N N 15 123.687 0.03 . . . . . . . 79 GLU N . 53391 2 529 . 1 . 1 80 80 ILE H H 1 8.652 0.01 . . . . . . . 80 ILE H . 53391 2 530 . 1 . 1 80 80 ILE HA H 1 3.952 0.00 . . . . . . . 80 ILE HA . 53391 2 531 . 1 . 1 80 80 ILE HB H 1 1.876 0.00 . . . . . . . 80 ILE HB . 53391 2 532 . 1 . 1 80 80 ILE C C 13 177.687 0.00 . . . . . . . 80 ILE C . 53391 2 533 . 1 . 1 80 80 ILE CA C 13 64.489 0.03 . . . . . . . 80 ILE CA . 53391 2 534 . 1 . 1 80 80 ILE CB C 13 37.245 0.00 . . . . . . . 80 ILE CB . 53391 2 535 . 1 . 1 80 80 ILE N N 15 125.802 0.01 . . . . . . . 80 ILE N . 53391 2 536 . 1 . 1 81 81 GLN H H 1 8.180 0.01 . . . . . . . 81 GLN H . 53391 2 537 . 1 . 1 81 81 GLN HA H 1 4.546 0.00 . . . . . . . 81 GLN HA . 53391 2 538 . 1 . 1 81 81 GLN HB2 H 1 2.196 0.00 . . . . . . . 81 GLN HB2 . 53391 2 539 . 1 . 1 81 81 GLN C C 13 175.829 0.01 . . . . . . . 81 GLN C . 53391 2 540 . 1 . 1 81 81 GLN CA C 13 55.026 0.00 . . . . . . . 81 GLN CA . 53391 2 541 . 1 . 1 81 81 GLN CB C 13 26.425 0.02 . . . . . . . 81 GLN CB . 53391 2 542 . 1 . 1 81 81 GLN N N 15 117.601 0.04 . . . . . . . 81 GLN N . 53391 2 543 . 1 . 1 82 82 GLY H H 1 7.450 0.00 . . . . . . . 82 GLY H . 53391 2 544 . 1 . 1 82 82 GLY HA2 H 1 3.835 0.00 . . . . . . . 82 GLY HA2 . 53391 2 545 . 1 . 1 82 82 GLY C C 13 171.186 0.01 . . . . . . . 82 GLY C . 53391 2 546 . 1 . 1 82 82 GLY CA C 13 43.640 0.05 . . . . . . . 82 GLY CA . 53391 2 547 . 1 . 1 82 82 GLY N N 15 106.429 0.03 . . . . . . . 82 GLY N . 53391 2 548 . 1 . 1 83 83 LYS H H 1 7.934 0.01 . . . . . . . 83 LYS H . 53391 2 549 . 1 . 1 83 83 LYS HA H 1 4.184 0.00 . . . . . . . 83 LYS HA . 53391 2 550 . 1 . 1 83 83 LYS HB2 H 1 1.814 0.00 . . . . . . . 83 LYS HB2 . 53391 2 551 . 1 . 1 83 83 LYS C C 13 176.650 0.02 . . . . . . . 83 LYS C . 53391 2 552 . 1 . 1 83 83 LYS CA C 13 56.300 0.03 . . . . . . . 83 LYS CA . 53391 2 553 . 1 . 1 83 83 LYS CB C 13 31.531 0.00 . . . . . . . 83 LYS CB . 53391 2 554 . 1 . 1 83 83 LYS N N 15 120.081 0.02 . . . . . . . 83 LYS N . 53391 2 555 . 1 . 1 84 84 MET H H 1 8.464 0.00 . . . . . . . 84 MET H . 53391 2 556 . 1 . 1 84 84 MET HA H 1 4.952 0.00 . . . . . . . 84 MET HA . 53391 2 557 . 1 . 1 84 84 MET HB2 H 1 2.086 0.00 . . . . . . . 84 MET HB2 . 53391 2 558 . 1 . 1 84 84 MET C C 13 175.460 0.02 . . . . . . . 84 MET C . 53391 2 559 . 1 . 1 84 84 MET CA C 13 54.671 0.02 . . . . . . . 84 MET CA . 53391 2 560 . 1 . 1 84 84 MET CB C 13 31.840 0.04 . . . . . . . 84 MET CB . 53391 2 561 . 1 . 1 84 84 MET N N 15 125.000 0.02 . . . . . . . 84 MET N . 53391 2 562 . 1 . 1 85 85 LEU H H 1 7.829 0.01 . . . . . . . 85 LEU H . 53391 2 563 . 1 . 1 85 85 LEU HA H 1 18.513 0.00 . . . . . . . 85 LEU HA . 53391 2 564 . 1 . 1 85 85 LEU HB2 H 1 15.557 0.00 . . . . . . . 85 LEU HB2 . 53391 2 565 . 1 . 1 85 85 LEU C C 13 176.468 0.01 . . . . . . . 85 LEU C . 53391 2 566 . 1 . 1 85 85 LEU CA C 13 53.182 0.00 . . . . . . . 85 LEU CA . 53391 2 567 . 1 . 1 85 85 LEU CB C 13 44.961 0.01 . . . . . . . 85 LEU CB . 53391 2 568 . 1 . 1 85 85 LEU N N 15 124.648 0.00 . . . . . . . 85 LEU N . 53391 2 569 . 1 . 1 86 86 SER H H 1 8.070 0.01 . . . . . . . 86 SER H . 53391 2 570 . 1 . 1 86 86 SER HA H 1 4.515 0.00 . . . . . . . 86 SER HA . 53391 2 571 . 1 . 1 86 86 SER HB2 H 1 4.033 0.00 . . . . . . . 86 SER HB2 . 53391 2 572 . 1 . 1 86 86 SER C C 13 175.126 0.01 . . . . . . . 86 SER C . 53391 2 573 . 1 . 1 86 86 SER CA C 13 56.198 0.04 . . . . . . . 86 SER CA . 53391 2 574 . 1 . 1 86 86 SER CB C 13 64.751 0.06 . . . . . . . 86 SER CB . 53391 2 575 . 1 . 1 86 86 SER N N 15 112.235 0.05 . . . . . . . 86 SER N . 53391 2 576 . 1 . 1 87 87 SER H H 1 8.903 0.01 . . . . . . . 87 SER H . 53391 2 577 . 1 . 1 87 87 SER HA H 1 4.319 0.00 . . . . . . . 87 SER HA . 53391 2 578 . 1 . 1 87 87 SER HB2 H 1 3.839 0.00 . . . . . . . 87 SER HB2 . 53391 2 579 . 1 . 1 87 87 SER C C 13 176.169 0.01 . . . . . . . 87 SER C . 53391 2 580 . 1 . 1 87 87 SER CA C 13 56.509 0.04 . . . . . . . 87 SER CA . 53391 2 581 . 1 . 1 87 87 SER CB C 13 61.771 0.02 . . . . . . . 87 SER CB . 53391 2 582 . 1 . 1 87 87 SER N N 15 119.293 0.04 . . . . . . . 87 SER N . 53391 2 583 . 1 . 1 88 88 GLU H H 1 8.977 0.01 . . . . . . . 88 GLU H . 53391 2 584 . 1 . 1 88 88 GLU HA H 1 4.313 0.00 . . . . . . . 88 GLU HA . 53391 2 585 . 1 . 1 88 88 GLU HB2 H 1 2.053 0.00 . . . . . . . 88 GLU HB2 . 53391 2 586 . 1 . 1 88 88 GLU HB3 H 1 15.986 0.00 . . . . . . . 88 GLU HB3 . 53391 2 587 . 1 . 1 88 88 GLU C C 13 178.757 0.01 . . . . . . . 88 GLU C . 53391 2 588 . 1 . 1 88 88 GLU CA C 13 59.913 0.02 . . . . . . . 88 GLU CA . 53391 2 589 . 1 . 1 88 88 GLU CB C 13 27.590 0.04 . . . . . . . 88 GLU CB . 53391 2 590 . 1 . 1 88 88 GLU N N 15 121.590 0.03 . . . . . . . 88 GLU N . 53391 2 591 . 1 . 1 89 89 GLY H H 1 8.392 0.01 . . . . . . . 89 GLY H . 53391 2 592 . 1 . 1 89 89 GLY HA2 H 1 4.279 0.00 . . . . . . . 89 GLY HA2 . 53391 2 593 . 1 . 1 89 89 GLY C C 13 176.627 0.01 . . . . . . . 89 GLY C . 53391 2 594 . 1 . 1 89 89 GLY CA C 13 46.464 0.00 . . . . . . . 89 GLY CA . 53391 2 595 . 1 . 1 89 89 GLY N N 15 110.897 0.01 . . . . . . . 89 GLY N . 53391 2 596 . 1 . 1 90 90 LEU H H 1 8.314 0.00 . . . . . . . 90 LEU H . 53391 2 597 . 1 . 1 90 90 LEU HA H 1 4.065 0.00 . . . . . . . 90 LEU HA . 53391 2 598 . 1 . 1 90 90 LEU HB2 H 1 1.247 0.00 . . . . . . . 90 LEU HB2 . 53391 2 599 . 1 . 1 90 90 LEU C C 13 177.527 0.02 . . . . . . . 90 LEU C . 53391 2 600 . 1 . 1 90 90 LEU CA C 13 57.636 0.02 . . . . . . . 90 LEU CA . 53391 2 601 . 1 . 1 90 90 LEU CB C 13 39.578 0.04 . . . . . . . 90 LEU CB . 53391 2 602 . 1 . 1 90 90 LEU N N 15 125.625 0.01 . . . . . . . 90 LEU N . 53391 2 603 . 1 . 1 91 91 ALA H H 1 7.654 0.00 . . . . . . . 91 ALA H . 53391 2 604 . 1 . 1 91 91 ALA HA H 1 4.614 0.00 . . . . . . . 91 ALA HA . 53391 2 605 . 1 . 1 91 91 ALA HB1 H 1 1.247 0.00 . . . . . . . 91 ALA HB . 53391 2 606 . 1 . 1 91 91 ALA HB2 H 1 1.247 0.00 . . . . . . . 91 ALA HB . 53391 2 607 . 1 . 1 91 91 ALA HB3 H 1 1.247 0.00 . . . . . . . 91 ALA HB . 53391 2 608 . 1 . 1 91 91 ALA C C 13 178.659 0.02 . . . . . . . 91 ALA C . 53391 2 609 . 1 . 1 91 91 ALA CA C 13 55.498 0.12 . . . . . . . 91 ALA CA . 53391 2 610 . 1 . 1 91 91 ALA CB C 13 17.910 0.03 . . . . . . . 91 ALA CB . 53391 2 611 . 1 . 1 91 91 ALA N N 15 121.082 0.02 . . . . . . . 91 ALA N . 53391 2 612 . 1 . 1 92 92 GLN H H 1 8.165 0.01 . . . . . . . 92 GLN H . 53391 2 613 . 1 . 1 92 92 GLN HA H 1 4.085 0.00 . . . . . . . 92 GLN HA . 53391 2 614 . 1 . 1 92 92 GLN HB2 H 1 2.165 0.00 . . . . . . . 92 GLN HB2 . 53391 2 615 . 1 . 1 92 92 GLN C C 13 178.265 0.01 . . . . . . . 92 GLN C . 53391 2 616 . 1 . 1 92 92 GLN CA C 13 59.639 0.14 . . . . . . . 92 GLN CA . 53391 2 617 . 1 . 1 92 92 GLN CB C 13 27.600 0.02 . . . . . . . 92 GLN CB . 53391 2 618 . 1 . 1 92 92 GLN N N 15 116.600 0.00 . . . . . . . 92 GLN N . 53391 2 619 . 1 . 1 93 93 GLU H H 1 7.942 0.00 . . . . . . . 93 GLU H . 53391 2 620 . 1 . 1 93 93 GLU HA H 1 4.000 0.00 . . . . . . . 93 GLU HA . 53391 2 621 . 1 . 1 93 93 GLU HB2 H 1 2.001 0.00 . . . . . . . 93 GLU HB2 . 53391 2 622 . 1 . 1 93 93 GLU C C 13 178.942 0.02 . . . . . . . 93 GLU C . 53391 2 623 . 1 . 1 93 93 GLU CA C 13 58.635 0.12 . . . . . . . 93 GLU CA . 53391 2 624 . 1 . 1 93 93 GLU CB C 13 28.529 0.00 . . . . . . . 93 GLU CB . 53391 2 625 . 1 . 1 93 93 GLU N N 15 121.649 0.03 . . . . . . . 93 GLU N . 53391 2 626 . 1 . 1 94 94 LEU H H 1 8.033 0.00 . . . . . . . 94 LEU H . 53391 2 627 . 1 . 1 94 94 LEU HA H 1 3.487 0.00 . . . . . . . 94 LEU HA . 53391 2 628 . 1 . 1 94 94 LEU HB2 H 1 1.843 0.00 . . . . . . . 94 LEU HB2 . 53391 2 629 . 1 . 1 94 94 LEU C C 13 178.341 0.00 . . . . . . . 94 LEU C . 53391 2 630 . 1 . 1 94 94 LEU CA C 13 57.700 0.11 . . . . . . . 94 LEU CA . 53391 2 631 . 1 . 1 94 94 LEU CB C 13 40.077 0.05 . . . . . . . 94 LEU CB . 53391 2 632 . 1 . 1 94 94 LEU N N 15 116.727 0.02 . . . . . . . 94 LEU N . 53391 2 633 . 1 . 1 95 95 ASN H H 1 8.530 0.00 . . . . . . . 95 ASN H . 53391 2 634 . 1 . 1 95 95 ASN HA H 1 4.414 0.00 . . . . . . . 95 ASN HA . 53391 2 635 . 1 . 1 95 95 ASN HB2 H 1 2.974 0.00 . . . . . . . 95 ASN HB2 . 53391 2 636 . 1 . 1 95 95 ASN C C 13 178.503 0.04 . . . . . . . 95 ASN C . 53391 2 637 . 1 . 1 95 95 ASN CA C 13 56.797 0.03 . . . . . . . 95 ASN CA . 53391 2 638 . 1 . 1 95 95 ASN CB C 13 39.227 0.04 . . . . . . . 95 ASN CB . 53391 2 639 . 1 . 1 95 95 ASN N N 15 117.950 0.04 . . . . . . . 95 ASN N . 53391 2 640 . 1 . 1 96 96 GLN H H 1 8.573 0.00 . . . . . . . 96 GLN H . 53391 2 641 . 1 . 1 96 96 GLN HA H 1 4.048 0.00 . . . . . . . 96 GLN HA . 53391 2 642 . 1 . 1 96 96 GLN HB2 H 1 2.134 0.00 . . . . . . . 96 GLN HB2 . 53391 2 643 . 1 . 1 96 96 GLN C C 13 178.786 0.01 . . . . . . . 96 GLN C . 53391 2 644 . 1 . 1 96 96 GLN CA C 13 59.169 0.23 . . . . . . . 96 GLN CA . 53391 2 645 . 1 . 1 96 96 GLN CB C 13 27.079 0.01 . . . . . . . 96 GLN CB . 53391 2 646 . 1 . 1 96 96 GLN N N 15 120.243 0.03 . . . . . . . 96 GLN N . 53391 2 647 . 1 . 1 97 97 ARG H H 1 7.555 0.01 . . . . . . . 97 ARG H . 53391 2 648 . 1 . 1 97 97 ARG HA H 1 4.214 0.00 . . . . . . . 97 ARG HA . 53391 2 649 . 1 . 1 97 97 ARG HB2 H 1 1.934 0.00 . . . . . . . 97 ARG HB2 . 53391 2 650 . 1 . 1 97 97 ARG C C 13 179.259 0.01 . . . . . . . 97 ARG C . 53391 2 651 . 1 . 1 97 97 ARG CA C 13 59.814 0.06 . . . . . . . 97 ARG CA . 53391 2 652 . 1 . 1 97 97 ARG CB C 13 28.470 0.02 . . . . . . . 97 ARG CB . 53391 2 653 . 1 . 1 97 97 ARG N N 15 119.422 0.02 . . . . . . . 97 ARG N . 53391 2 654 . 1 . 1 98 98 MET H H 1 8.735 0.01 . . . . . . . 98 MET H . 53391 2 655 . 1 . 1 98 98 MET HA H 1 4.978 0.00 . . . . . . . 98 MET HA . 53391 2 656 . 1 . 1 98 98 MET HB2 H 1 2.233 0.00 . . . . . . . 98 MET HB2 . 53391 2 657 . 1 . 1 98 98 MET C C 13 181.293 0.02 . . . . . . . 98 MET C . 53391 2 658 . 1 . 1 98 98 MET CA C 13 58.898 0.02 . . . . . . . 98 MET CA . 53391 2 659 . 1 . 1 98 98 MET CB C 13 32.168 0.03 . . . . . . . 98 MET CB . 53391 2 660 . 1 . 1 98 98 MET N N 15 121.065 0.04 . . . . . . . 98 MET N . 53391 2 661 . 1 . 1 99 99 THR H H 1 8.504 0.00 . . . . . . . 99 THR H . 53391 2 662 . 1 . 1 99 99 THR HB H 1 4.206 0.08 . . . . . . . 99 THR HB . 53391 2 663 . 1 . 1 99 99 THR C C 13 175.814 0.01 . . . . . . . 99 THR C . 53391 2 664 . 1 . 1 99 99 THR CA C 13 65.700 0.08 . . . . . . . 99 THR CA . 53391 2 665 . 1 . 1 99 99 THR CB C 13 68.474 0.02 . . . . . . . 99 THR CB . 53391 2 666 . 1 . 1 99 99 THR N N 15 117.280 0.02 . . . . . . . 99 THR N . 53391 2 667 . 1 . 1 100 100 GLN H H 1 7.409 0.00 . . . . . . . 100 GLN H . 53391 2 668 . 1 . 1 100 100 GLN HA H 1 18.410 0.00 . . . . . . . 100 GLN HA . 53391 2 669 . 1 . 1 100 100 GLN HB2 H 1 16.302 0.00 . . . . . . . 100 GLN HB2 . 53391 2 670 . 1 . 1 100 100 GLN C C 13 176.252 0.01 . . . . . . . 100 GLN C . 53391 2 671 . 1 . 1 100 100 GLN CA C 13 55.828 0.02 . . . . . . . 100 GLN CA . 53391 2 672 . 1 . 1 100 100 GLN CB C 13 27.877 0.03 . . . . . . . 100 GLN CB . 53391 2 673 . 1 . 1 100 100 GLN N N 15 119.425 0.02 . . . . . . . 100 GLN N . 53391 2 674 . 1 . 1 101 101 GLY H H 1 7.627 0.00 . . . . . . . 101 GLY H . 53391 2 675 . 1 . 1 101 101 GLY HA2 H 1 4.042 0.00 . . . . . . . 101 GLY HA2 . 53391 2 676 . 1 . 1 101 101 GLY C C 13 174.731 0.01 . . . . . . . 101 GLY C . 53391 2 677 . 1 . 1 101 101 GLY CA C 13 44.884 0.01 . . . . . . . 101 GLY CA . 53391 2 678 . 1 . 1 101 101 GLY N N 15 106.394 0.04 . . . . . . . 101 GLY N . 53391 2 679 . 1 . 1 102 102 GLN H H 1 7.925 0.00 . . . . . . . 102 GLN H . 53391 2 680 . 1 . 1 102 102 GLN HA H 1 4.304 0.00 . . . . . . . 102 GLN HA . 53391 2 681 . 1 . 1 102 102 GLN HB2 H 1 1.912 0.00 . . . . . . . 102 GLN HB2 . 53391 2 682 . 1 . 1 102 102 GLN C C 13 175.062 0.02 . . . . . . . 102 GLN C . 53391 2 683 . 1 . 1 102 102 GLN CA C 13 56.093 0.08 . . . . . . . 102 GLN CA . 53391 2 684 . 1 . 1 102 102 GLN CB C 13 27.712 0.04 . . . . . . . 102 GLN CB . 53391 2 685 . 1 . 1 102 102 GLN N N 15 122.078 0.06 . . . . . . . 102 GLN N . 53391 2 686 . 1 . 1 103 103 SER H H 1 8.201 0.01 . . . . . . . 103 SER H . 53391 2 687 . 1 . 1 103 103 SER HA H 1 4.626 0.00 . . . . . . . 103 SER HA . 53391 2 688 . 1 . 1 103 103 SER HB2 H 1 3.870 0.16 . . . . . . . 103 SER HB2 . 53391 2 689 . 1 . 1 103 103 SER C C 13 171.740 0.02 . . . . . . . 103 SER C . 53391 2 690 . 1 . 1 103 103 SER CA C 13 57.471 0.09 . . . . . . . 103 SER CA . 53391 2 691 . 1 . 1 103 103 SER CB C 13 65.147 0.04 . . . . . . . 103 SER CB . 53391 2 692 . 1 . 1 103 103 SER N N 15 116.589 0.02 . . . . . . . 103 SER N . 53391 2 693 . 1 . 1 104 104 ASP H H 1 7.622 0.00 . . . . . . . 104 ASP H . 53391 2 694 . 1 . 1 104 104 ASP HA H 1 4.195 0.00 . . . . . . . 104 ASP HA . 53391 2 695 . 1 . 1 104 104 ASP HB2 H 1 2.757 0.00 . . . . . . . 104 ASP HB2 . 53391 2 696 . 1 . 1 104 104 ASP C C 13 173.900 0.01 . . . . . . . 104 ASP C . 53391 2 697 . 1 . 1 104 104 ASP CA C 13 52.757 0.04 . . . . . . . 104 ASP CA . 53391 2 698 . 1 . 1 104 104 ASP CB C 13 42.486 0.04 . . . . . . . 104 ASP CB . 53391 2 699 . 1 . 1 104 104 ASP N N 15 125.398 0.01 . . . . . . . 104 ASP N . 53391 2 700 . 1 . 1 105 105 PHE H H 1 8.474 0.01 . . . . . . . 105 PHE H . 53391 2 701 . 1 . 1 105 105 PHE HA H 1 5.103 0.00 . . . . . . . 105 PHE HA . 53391 2 702 . 1 . 1 105 105 PHE HB2 H 1 2.826 0.00 . . . . . . . 105 PHE HB2 . 53391 2 703 . 1 . 1 105 105 PHE C C 13 175.060 0.02 . . . . . . . 105 PHE C . 53391 2 704 . 1 . 1 105 105 PHE CA C 13 56.660 0.02 . . . . . . . 105 PHE CA . 53391 2 705 . 1 . 1 105 105 PHE CB C 13 40.918 0.08 . . . . . . . 105 PHE CB . 53391 2 706 . 1 . 1 105 105 PHE N N 15 122.272 0.05 . . . . . . . 105 PHE N . 53391 2 707 . 1 . 1 106 106 VAL H H 1 9.317 0.00 . . . . . . . 106 VAL H . 53391 2 708 . 1 . 1 106 106 VAL HA H 1 4.965 0.00 . . . . . . . 106 VAL HA . 53391 2 709 . 1 . 1 106 106 VAL HB H 1 2.084 0.00 . . . . . . . 106 VAL HB . 53391 2 710 . 1 . 1 106 106 VAL C C 13 174.363 0.02 . . . . . . . 106 VAL C . 53391 2 711 . 1 . 1 106 106 VAL CA C 13 60.067 0.05 . . . . . . . 106 VAL CA . 53391 2 712 . 1 . 1 106 106 VAL CB C 13 33.577 0.00 . . . . . . . 106 VAL CB . 53391 2 713 . 1 . 1 106 106 VAL N N 15 126.471 0.01 . . . . . . . 106 VAL N . 53391 2 714 . 1 . 1 107 107 PHE H H 1 9.342 0.01 . . . . . . . 107 PHE H . 53391 2 715 . 1 . 1 107 107 PHE HA H 1 5.549 0.00 . . . . . . . 107 PHE HA . 53391 2 716 . 1 . 1 107 107 PHE HB2 H 1 3.024 0.00 . . . . . . . 107 PHE HB2 . 53391 2 717 . 1 . 1 107 107 PHE C C 13 175.100 0.01 . . . . . . . 107 PHE C . 53391 2 718 . 1 . 1 107 107 PHE CA C 13 55.832 0.05 . . . . . . . 107 PHE CA . 53391 2 719 . 1 . 1 107 107 PHE CB C 13 41.826 0.04 . . . . . . . 107 PHE CB . 53391 2 720 . 1 . 1 107 107 PHE N N 15 126.194 0.07 . . . . . . . 107 PHE N . 53391 2 721 . 1 . 1 108 108 VAL H H 1 8.853 0.00 . . . . . . . 108 VAL H . 53391 2 722 . 1 . 1 108 108 VAL HA H 1 5.093 0.00 . . . . . . . 108 VAL HA . 53391 2 723 . 1 . 1 108 108 VAL HB H 1 1.834 0.00 . . . . . . . 108 VAL HB . 53391 2 724 . 1 . 1 108 108 VAL C C 13 174.216 0.01 . . . . . . . 108 VAL C . 53391 2 725 . 1 . 1 108 108 VAL CA C 13 60.787 0.00 . . . . . . . 108 VAL CA . 53391 2 726 . 1 . 1 108 108 VAL CB C 13 33.443 0.05 . . . . . . . 108 VAL CB . 53391 2 727 . 1 . 1 108 108 VAL N N 15 122.527 0.05 . . . . . . . 108 VAL N . 53391 2 728 . 1 . 1 109 109 ILE H H 1 8.714 0.00 . . . . . . . 109 ILE H . 53391 2 729 . 1 . 1 109 109 ILE C C 13 175.988 0.00 . . . . . . . 109 ILE C . 53391 2 730 . 1 . 1 109 109 ILE CA C 13 59.993 0.02 . . . . . . . 109 ILE CA . 53391 2 731 . 1 . 1 109 109 ILE CB C 13 38.485 0.01 . . . . . . . 109 ILE CB . 53391 2 732 . 1 . 1 109 109 ILE N N 15 126.572 0.02 . . . . . . . 109 ILE N . 53391 2 733 . 1 . 1 110 110 GLY H H 1 9.098 0.00 . . . . . . . 110 GLY H . 53391 2 734 . 1 . 1 110 110 GLY HA2 H 1 4.015 0.00 . . . . . . . 110 GLY HA2 . 53391 2 735 . 1 . 1 110 110 GLY C C 13 173.911 0.01 . . . . . . . 110 GLY C . 53391 2 736 . 1 . 1 110 110 GLY CA C 13 44.211 0.08 . . . . . . . 110 GLY CA . 53391 2 737 . 1 . 1 110 110 GLY N N 15 111.377 0.02 . . . . . . . 110 GLY N . 53391 2 738 . 1 . 1 111 111 GLY H H 1 7.637 0.00 . . . . . . . 111 GLY H . 53391 2 739 . 1 . 1 111 111 GLY HA2 H 1 3.996 0.00 . . . . . . . 111 GLY HA2 . 53391 2 740 . 1 . 1 111 111 GLY C C 13 176.159 0.01 . . . . . . . 111 GLY C . 53391 2 741 . 1 . 1 111 111 GLY CA C 13 43.703 0.08 . . . . . . . 111 GLY CA . 53391 2 742 . 1 . 1 111 111 GLY N N 15 104.903 0.01 . . . . . . . 111 GLY N . 53391 2 743 . 1 . 1 112 112 SER H H 1 9.000 0.00 . . . . . . . 112 SER H . 53391 2 744 . 1 . 1 112 112 SER HA H 1 4.197 0.00 . . . . . . . 112 SER HA . 53391 2 745 . 1 . 1 112 112 SER HB2 H 1 3.714 0.00 . . . . . . . 112 SER HB2 . 53391 2 746 . 1 . 1 112 112 SER C C 13 175.427 0.00 . . . . . . . 112 SER C . 53391 2 747 . 1 . 1 112 112 SER CA C 13 61.125 0.01 . . . . . . . 112 SER CA . 53391 2 748 . 1 . 1 112 112 SER CB C 13 62.590 0.05 . . . . . . . 112 SER CB . 53391 2 749 . 1 . 1 112 112 SER N N 15 117.064 0.09 . . . . . . . 112 SER N . 53391 2 750 . 1 . 1 113 113 ASN H H 1 8.722 0.00 . . . . . . . 113 ASN H . 53391 2 751 . 1 . 1 113 113 ASN HA H 1 18.628 0.00 . . . . . . . 113 ASN HA . 53391 2 752 . 1 . 1 113 113 ASN HB2 H 1 16.333 0.00 . . . . . . . 113 ASN HB2 . 53391 2 753 . 1 . 1 113 113 ASN C C 13 174.327 0.01 . . . . . . . 113 ASN C . 53391 2 754 . 1 . 1 113 113 ASN CA C 13 53.373 0.05 . . . . . . . 113 ASN CA . 53391 2 755 . 1 . 1 113 113 ASN CB C 13 39.315 0.05 . . . . . . . 113 ASN CB . 53391 2 756 . 1 . 1 113 113 ASN N N 15 117.713 0.01 . . . . . . . 113 ASN N . 53391 2 757 . 1 . 1 114 114 GLY H H 1 7.453 0.00 . . . . . . . 114 GLY H . 53391 2 758 . 1 . 1 114 114 GLY HA2 H 1 3.831 0.00 . . . . . . . 114 GLY HA2 . 53391 2 759 . 1 . 1 114 114 GLY C C 13 173.932 0.01 . . . . . . . 114 GLY C . 53391 2 760 . 1 . 1 114 114 GLY CA C 13 43.881 0.02 . . . . . . . 114 GLY CA . 53391 2 761 . 1 . 1 114 114 GLY N N 15 106.172 0.03 . . . . . . . 114 GLY N . 53391 2 762 . 1 . 1 115 115 LEU H H 1 8.424 0.01 . . . . . . . 115 LEU H . 53391 2 763 . 1 . 1 115 115 LEU HA H 1 4.725 0.00 . . . . . . . 115 LEU HA . 53391 2 764 . 1 . 1 115 115 LEU C C 13 175.760 0.01 . . . . . . . 115 LEU C . 53391 2 765 . 1 . 1 115 115 LEU CA C 13 53.010 0.04 . . . . . . . 115 LEU CA . 53391 2 766 . 1 . 1 115 115 LEU CB C 13 44.386 0.02 . . . . . . . 115 LEU CB . 53391 2 767 . 1 . 1 115 115 LEU N N 15 120.372 0.06 . . . . . . . 115 LEU N . 53391 2 768 . 1 . 1 116 116 HIS H H 1 9.012 0.00 . . . . . . . 116 HIS H . 53391 2 769 . 1 . 1 116 116 HIS HA H 1 4.101 0.00 . . . . . . . 116 HIS HA . 53391 2 770 . 1 . 1 116 116 HIS HB2 H 1 2.901 0.00 . . . . . . . 116 HIS HB2 . 53391 2 771 . 1 . 1 116 116 HIS C C 13 175.881 0.02 . . . . . . . 116 HIS C . 53391 2 772 . 1 . 1 116 116 HIS CA C 13 57.681 0.02 . . . . . . . 116 HIS CA . 53391 2 773 . 1 . 1 116 116 HIS CB C 13 32.184 0.03 . . . . . . . 116 HIS CB . 53391 2 774 . 1 . 1 116 116 HIS N N 15 121.101 0.00 . . . . . . . 116 HIS N . 53391 2 775 . 1 . 1 117 117 LYS H H 1 8.040 0.00 . . . . . . . 117 LYS H . 53391 2 776 . 1 . 1 117 117 LYS HB2 H 1 1.603 0.00 . . . . . . . 117 LYS HB2 . 53391 2 777 . 1 . 1 117 117 LYS C C 13 176.971 0.01 . . . . . . . 117 LYS C . 53391 2 778 . 1 . 1 117 117 LYS CA C 13 59.072 0.12 . . . . . . . 117 LYS CA . 53391 2 779 . 1 . 1 117 117 LYS CB C 13 30.922 0.04 . . . . . . . 117 LYS CB . 53391 2 780 . 1 . 1 117 117 LYS N N 15 127.585 0.03 . . . . . . . 117 LYS N . 53391 2 781 . 1 . 1 118 118 ASP H H 1 9.977 0.01 . . . . . . . 118 ASP H . 53391 2 782 . 1 . 1 118 118 ASP HA H 1 4.036 0.00 . . . . . . . 118 ASP HA . 53391 2 783 . 1 . 1 118 118 ASP HB2 H 1 2.638 0.00 . . . . . . . 118 ASP HB2 . 53391 2 784 . 1 . 1 118 118 ASP C C 13 179.620 0.01 . . . . . . . 118 ASP C . 53391 2 785 . 1 . 1 118 118 ASP CA C 13 57.673 0.08 . . . . . . . 118 ASP CA . 53391 2 786 . 1 . 1 118 118 ASP CB C 13 38.641 0.03 . . . . . . . 118 ASP CB . 53391 2 787 . 1 . 1 118 118 ASP N N 15 124.010 0.04 . . . . . . . 118 ASP N . 53391 2 788 . 1 . 1 119 119 VAL H H 1 7.644 0.00 . . . . . . . 119 VAL H . 53391 2 789 . 1 . 1 119 119 VAL HA H 1 3.898 0.00 . . . . . . . 119 VAL HA . 53391 2 790 . 1 . 1 119 119 VAL HB H 1 1.873 0.00 . . . . . . . 119 VAL HB . 53391 2 791 . 1 . 1 119 119 VAL C C 13 177.661 0.02 . . . . . . . 119 VAL C . 53391 2 792 . 1 . 1 119 119 VAL CA C 13 64.956 0.00 . . . . . . . 119 VAL CA . 53391 2 793 . 1 . 1 119 119 VAL CB C 13 30.368 0.10 . . . . . . . 119 VAL CB . 53391 2 794 . 1 . 1 119 119 VAL N N 15 119.440 0.02 . . . . . . . 119 VAL N . 53391 2 795 . 1 . 1 120 120 LEU H H 1 7.467 0.01 . . . . . . . 120 LEU H . 53391 2 796 . 1 . 1 120 120 LEU HA H 1 4.564 0.00 . . . . . . . 120 LEU HA . 53391 2 797 . 1 . 1 120 120 LEU HB2 H 1 1.503 0.00 . . . . . . . 120 LEU HB2 . 53391 2 798 . 1 . 1 120 120 LEU C C 13 180.104 0.01 . . . . . . . 120 LEU C . 53391 2 799 . 1 . 1 120 120 LEU CA C 13 57.680 0.03 . . . . . . . 120 LEU CA . 53391 2 800 . 1 . 1 120 120 LEU CB C 13 39.020 0.00 . . . . . . . 120 LEU CB . 53391 2 801 . 1 . 1 120 120 LEU N N 15 118.502 0.00 . . . . . . . 120 LEU N . 53391 2 802 . 1 . 1 121 121 GLN H H 1 8.163 0.01 . . . . . . . 121 GLN H . 53391 2 803 . 1 . 1 121 121 GLN HA H 1 4.020 0.00 . . . . . . . 121 GLN HA . 53391 2 804 . 1 . 1 121 121 GLN HB2 H 1 2.092 0.00 . . . . . . . 121 GLN HB2 . 53391 2 805 . 1 . 1 121 121 GLN C C 13 176.468 0.00 . . . . . . . 121 GLN C . 53391 2 806 . 1 . 1 121 121 GLN CA C 13 57.953 0.49 . . . . . . . 121 GLN CA . 53391 2 807 . 1 . 1 121 121 GLN CB C 13 27.733 0.44 . . . . . . . 121 GLN CB . 53391 2 808 . 1 . 1 121 121 GLN N N 15 116.583 0.02 . . . . . . . 121 GLN N . 53391 2 809 . 1 . 1 122 122 ARG H H 1 6.899 0.00 . . . . . . . 122 ARG H . 53391 2 810 . 1 . 1 122 122 ARG HA H 1 4.527 0.00 . . . . . . . 122 ARG HA . 53391 2 811 . 1 . 1 122 122 ARG HB2 H 1 2.128 0.00 . . . . . . . 122 ARG HB2 . 53391 2 812 . 1 . 1 122 122 ARG C C 13 175.349 0.03 . . . . . . . 122 ARG C . 53391 2 813 . 1 . 1 122 122 ARG CA C 13 53.547 0.02 . . . . . . . 122 ARG CA . 53391 2 814 . 1 . 1 122 122 ARG CB C 13 28.605 0.12 . . . . . . . 122 ARG CB . 53391 2 815 . 1 . 1 122 122 ARG N N 15 119.107 0.02 . . . . . . . 122 ARG N . 53391 2 816 . 1 . 1 123 123 SER H H 1 6.982 0.01 . . . . . . . 123 SER H . 53391 2 817 . 1 . 1 123 123 SER HB2 H 1 3.771 0.22 . . . . . . . 123 SER HB2 . 53391 2 818 . 1 . 1 123 123 SER C C 13 174.955 0.00 . . . . . . . 123 SER C . 53391 2 819 . 1 . 1 123 123 SER CA C 13 58.923 0.03 . . . . . . . 123 SER CA . 53391 2 820 . 1 . 1 123 123 SER CB C 13 62.620 0.03 . . . . . . . 123 SER CB . 53391 2 821 . 1 . 1 123 123 SER N N 15 112.103 0.03 . . . . . . . 123 SER N . 53391 2 822 . 1 . 1 124 124 ASN H H 1 9.540 0.01 . . . . . . . 124 ASN H . 53391 2 823 . 1 . 1 124 124 ASN HA H 1 4.189 0.00 . . . . . . . 124 ASN HA . 53391 2 824 . 1 . 1 124 124 ASN HB2 H 1 2.443 0.00 . . . . . . . 124 ASN HB2 . 53391 2 825 . 1 . 1 124 124 ASN C C 13 174.288 0.02 . . . . . . . 124 ASN C . 53391 2 826 . 1 . 1 124 124 ASN CA C 13 54.867 0.01 . . . . . . . 124 ASN CA . 53391 2 827 . 1 . 1 124 124 ASN CB C 13 40.405 0.03 . . . . . . . 124 ASN CB . 53391 2 828 . 1 . 1 124 124 ASN N N 15 123.897 0.03 . . . . . . . 124 ASN N . 53391 2 829 . 1 . 1 125 125 TYR H H 1 8.237 0.00 . . . . . . . 125 TYR H . 53391 2 830 . 1 . 1 125 125 TYR HA H 1 4.149 0.00 . . . . . . . 125 TYR HA . 53391 2 831 . 1 . 1 125 125 TYR HB2 H 1 2.925 0.00 . . . . . . . 125 TYR HB2 . 53391 2 832 . 1 . 1 125 125 TYR C C 13 171.536 0.02 . . . . . . . 125 TYR C . 53391 2 833 . 1 . 1 125 125 TYR CA C 13 59.695 0.05 . . . . . . . 125 TYR CA . 53391 2 834 . 1 . 1 125 125 TYR CB C 13 39.925 0.05 . . . . . . . 125 TYR CB . 53391 2 835 . 1 . 1 125 125 TYR N N 15 123.297 0.01 . . . . . . . 125 TYR N . 53391 2 836 . 1 . 1 126 126 ALA H H 1 7.414 0.01 . . . . . . . 126 ALA H . 53391 2 837 . 1 . 1 126 126 ALA HA H 1 4.077 0.00 . . . . . . . 126 ALA HA . 53391 2 838 . 1 . 1 126 126 ALA HB1 H 1 1.088 0.00 . . . . . . . 126 ALA HB . 53391 2 839 . 1 . 1 126 126 ALA HB2 H 1 1.088 0.00 . . . . . . . 126 ALA HB . 53391 2 840 . 1 . 1 126 126 ALA HB3 H 1 1.088 0.00 . . . . . . . 126 ALA HB . 53391 2 841 . 1 . 1 126 126 ALA C C 13 175.163 0.01 . . . . . . . 126 ALA C . 53391 2 842 . 1 . 1 126 126 ALA CA C 13 50.102 0.10 . . . . . . . 126 ALA CA . 53391 2 843 . 1 . 1 126 126 ALA CB C 13 20.265 0.01 . . . . . . . 126 ALA CB . 53391 2 844 . 1 . 1 126 126 ALA N N 15 131.191 0.04 . . . . . . . 126 ALA N . 53391 2 845 . 1 . 1 127 127 LEU H H 1 9.125 0.01 . . . . . . . 127 LEU H . 53391 2 846 . 1 . 1 127 127 LEU HA H 1 4.661 0.00 . . . . . . . 127 LEU HA . 53391 2 847 . 1 . 1 127 127 LEU HB2 H 1 1.294 0.00 . . . . . . . 127 LEU HB2 . 53391 2 848 . 1 . 1 127 127 LEU C C 13 173.708 0.01 . . . . . . . 127 LEU C . 53391 2 849 . 1 . 1 127 127 LEU CA C 13 53.405 0.08 . . . . . . . 127 LEU CA . 53391 2 850 . 1 . 1 127 127 LEU CB C 13 46.335 0.00 . . . . . . . 127 LEU CB . 53391 2 851 . 1 . 1 127 127 LEU N N 15 127.911 0.08 . . . . . . . 127 LEU N . 53391 2 852 . 1 . 1 128 128 SER H H 1 8.261 0.01 . . . . . . . 128 SER H . 53391 2 853 . 1 . 1 128 128 SER HA H 1 4.272 0.00 . . . . . . . 128 SER HA . 53391 2 854 . 1 . 1 128 128 SER HB2 H 1 3.735 0.00 . . . . . . . 128 SER HB2 . 53391 2 855 . 1 . 1 128 128 SER C C 13 175.012 0.01 . . . . . . . 128 SER C . 53391 2 856 . 1 . 1 128 128 SER CA C 13 55.184 0.02 . . . . . . . 128 SER CA . 53391 2 857 . 1 . 1 128 128 SER CB C 13 64.558 0.08 . . . . . . . 128 SER CB . 53391 2 858 . 1 . 1 128 128 SER N N 15 119.226 0.04 . . . . . . . 128 SER N . 53391 2 859 . 1 . 1 129 129 PHE H H 1 8.677 0.01 . . . . . . . 129 PHE H . 53391 2 860 . 1 . 1 129 129 PHE HA H 1 18.919 0.00 . . . . . . . 129 PHE HA . 53391 2 861 . 1 . 1 129 129 PHE HB2 H 1 17.145 0.00 . . . . . . . 129 PHE HB2 . 53391 2 862 . 1 . 1 129 129 PHE C C 13 176.308 0.02 . . . . . . . 129 PHE C . 53391 2 863 . 1 . 1 129 129 PHE CA C 13 57.374 0.18 . . . . . . . 129 PHE CA . 53391 2 864 . 1 . 1 129 129 PHE CB C 13 40.567 0.00 . . . . . . . 129 PHE CB . 53391 2 865 . 1 . 1 129 129 PHE N N 15 123.364 0.07 . . . . . . . 129 PHE N . 53391 2 866 . 1 . 1 130 130 SER H H 1 7.751 0.00 . . . . . . . 130 SER H . 53391 2 867 . 1 . 1 130 130 SER HA H 1 4.416 0.00 . . . . . . . 130 SER HA . 53391 2 868 . 1 . 1 130 130 SER HB2 H 1 4.066 0.00 . . . . . . . 130 SER HB2 . 53391 2 869 . 1 . 1 130 130 SER C C 13 173.356 0.01 . . . . . . . 130 SER C . 53391 2 870 . 1 . 1 130 130 SER CA C 13 57.389 0.14 . . . . . . . 130 SER CA . 53391 2 871 . 1 . 1 130 130 SER CB C 13 63.054 0.04 . . . . . . . 130 SER CB . 53391 2 872 . 1 . 1 130 130 SER N N 15 111.366 0.09 . . . . . . . 130 SER N . 53391 2 873 . 1 . 1 131 131 LYS H H 1 8.086 0.01 . . . . . . . 131 LYS H . 53391 2 874 . 1 . 1 131 131 LYS HA H 1 4.320 0.00 . . . . . . . 131 LYS HA . 53391 2 875 . 1 . 1 131 131 LYS HB2 H 1 1.952 0.00 . . . . . . . 131 LYS HB2 . 53391 2 876 . 1 . 1 131 131 LYS C C 13 178.763 0.05 . . . . . . . 131 LYS C . 53391 2 877 . 1 . 1 131 131 LYS CA C 13 56.540 0.11 . . . . . . . 131 LYS CA . 53391 2 878 . 1 . 1 131 131 LYS CB C 13 31.178 0.06 . . . . . . . 131 LYS CB . 53391 2 879 . 1 . 1 131 131 LYS N N 15 120.885 0.03 . . . . . . . 131 LYS N . 53391 2 880 . 1 . 1 132 132 MET H H 1 8.752 0.01 . . . . . . . 132 MET H . 53391 2 881 . 1 . 1 132 132 MET HA H 1 4.025 0.00 . . . . . . . 132 MET HA . 53391 2 882 . 1 . 1 132 132 MET HB2 H 1 1.235 0.00 . . . . . . . 132 MET HB2 . 53391 2 883 . 1 . 1 132 132 MET C C 13 173.635 0.02 . . . . . . . 132 MET C . 53391 2 884 . 1 . 1 132 132 MET CA C 13 56.243 0.02 . . . . . . . 132 MET CA . 53391 2 885 . 1 . 1 132 132 MET CB C 13 32.545 0.01 . . . . . . . 132 MET CB . 53391 2 886 . 1 . 1 132 132 MET N N 15 120.595 0.05 . . . . . . . 132 MET N . 53391 2 887 . 1 . 1 133 133 THR H H 1 8.369 0.01 . . . . . . . 133 THR H . 53391 2 888 . 1 . 1 133 133 THR HB H 1 4.054 0.09 . . . . . . . 133 THR HB . 53391 2 889 . 1 . 1 133 133 THR C C 13 172.790 0.02 . . . . . . . 133 THR C . 53391 2 890 . 1 . 1 133 133 THR CA C 13 62.008 0.00 . . . . . . . 133 THR CA . 53391 2 891 . 1 . 1 133 133 THR CB C 13 69.405 0.03 . . . . . . . 133 THR CB . 53391 2 892 . 1 . 1 133 133 THR N N 15 117.952 0.03 . . . . . . . 133 THR N . 53391 2 893 . 1 . 1 134 134 PHE H H 1 8.085 0.00 . . . . . . . 134 PHE H . 53391 2 894 . 1 . 1 134 134 PHE C C 13 174.023 0.00 . . . . . . . 134 PHE C . 53391 2 895 . 1 . 1 134 134 PHE CA C 13 50.681 0.00 . . . . . . . 134 PHE CA . 53391 2 896 . 1 . 1 134 134 PHE CB C 13 37.253 0.00 . . . . . . . 134 PHE CB . 53391 2 897 . 1 . 1 134 134 PHE N N 15 124.708 0.01 . . . . . . . 134 PHE N . 53391 2 898 . 1 . 1 135 135 PRO HA H 1 4.548 0.00 . . . . . . . 135 PRO HA . 53391 2 899 . 1 . 1 135 135 PRO C C 13 177.740 0.01 . . . . . . . 135 PRO C . 53391 2 900 . 1 . 1 135 135 PRO CA C 13 58.775 0.00 . . . . . . . 135 PRO CA . 53391 2 901 . 1 . 1 135 135 PRO CB C 13 30.623 0.00 . . . . . . . 135 PRO CB . 53391 2 902 . 1 . 1 136 136 HIS H H 1 5.781 0.00 . . . . . . . 136 HIS H . 53391 2 903 . 1 . 1 136 136 HIS HA H 1 4.261 0.01 . . . . . . . 136 HIS HA . 53391 2 904 . 1 . 1 136 136 HIS HB2 H 1 3.257 0.01 . . . . . . . 136 HIS HB2 . 53391 2 905 . 1 . 1 136 136 HIS C C 13 178.207 0.07 . . . . . . . 136 HIS C . 53391 2 906 . 1 . 1 136 136 HIS CA C 13 58.802 1.06 . . . . . . . 136 HIS CA . 53391 2 907 . 1 . 1 136 136 HIS CB C 13 28.573 0.08 . . . . . . . 136 HIS CB . 53391 2 908 . 1 . 1 136 136 HIS N N 15 119.167 0.03 . . . . . . . 136 HIS N . 53391 2 909 . 1 . 1 137 137 GLN H H 1 9.049 0.02 . . . . . . . 137 GLN H . 53391 2 910 . 1 . 1 137 137 GLN C C 13 176.602 0.02 . . . . . . . 137 GLN C . 53391 2 911 . 1 . 1 137 137 GLN CA C 13 59.633 0.03 . . . . . . . 137 GLN CA . 53391 2 912 . 1 . 1 137 137 GLN CB C 13 26.293 0.05 . . . . . . . 137 GLN CB . 53391 2 913 . 1 . 1 137 137 GLN N N 15 122.221 0.10 . . . . . . . 137 GLN N . 53391 2 914 . 1 . 1 138 138 MET H H 1 6.076 0.00 . . . . . . . 138 MET H . 53391 2 915 . 1 . 1 138 138 MET HA H 1 3.966 0.00 . . . . . . . 138 MET HA . 53391 2 916 . 1 . 1 138 138 MET HB2 H 1 1.875 0.00 . . . . . . . 138 MET HB2 . 53391 2 917 . 1 . 1 138 138 MET C C 13 177.966 0.01 . . . . . . . 138 MET C . 53391 2 918 . 1 . 1 138 138 MET CA C 13 56.654 0.02 . . . . . . . 138 MET CA . 53391 2 919 . 1 . 1 138 138 MET CB C 13 32.754 0.01 . . . . . . . 138 MET CB . 53391 2 920 . 1 . 1 138 138 MET N N 15 114.318 0.01 . . . . . . . 138 MET N . 53391 2 921 . 1 . 1 139 139 MET H H 1 8.611 1.91 . . . . . . . 139 MET H . 53391 2 922 . 1 . 1 139 139 MET HA H 1 4.240 0.00 . . . . . . . 139 MET HA . 53391 2 923 . 1 . 1 139 139 MET HB2 H 1 2.407 0.00 . . . . . . . 139 MET HB2 . 53391 2 924 . 1 . 1 139 139 MET C C 13 177.018 0.01 . . . . . . . 139 MET C . 53391 2 925 . 1 . 1 139 139 MET CA C 13 57.085 0.05 . . . . . . . 139 MET CA . 53391 2 926 . 1 . 1 139 139 MET CB C 13 31.407 0.12 . . . . . . . 139 MET CB . 53391 2 927 . 1 . 1 139 139 MET N N 15 117.605 0.03 . . . . . . . 139 MET N . 53391 2 928 . 1 . 1 140 140 ARG H H 1 7.023 0.00 . . . . . . . 140 ARG H . 53391 2 929 . 1 . 1 140 140 ARG HA H 1 3.652 0.00 . . . . . . . 140 ARG HA . 53391 2 930 . 1 . 1 140 140 ARG HB2 H 1 1.826 0.00 . . . . . . . 140 ARG HB2 . 53391 2 931 . 1 . 1 140 140 ARG C C 13 176.501 0.01 . . . . . . . 140 ARG C . 53391 2 932 . 1 . 1 140 140 ARG CA C 13 59.192 0.08 . . . . . . . 140 ARG CA . 53391 2 933 . 1 . 1 140 140 ARG CB C 13 30.118 0.11 . . . . . . . 140 ARG CB . 53391 2 934 . 1 . 1 140 140 ARG N N 15 116.494 0.03 . . . . . . . 140 ARG N . 53391 2 935 . 1 . 1 141 141 VAL H H 1 6.772 0.01 . . . . . . . 141 VAL H . 53391 2 936 . 1 . 1 141 141 VAL HA H 1 3.770 0.00 . . . . . . . 141 VAL HA . 53391 2 937 . 1 . 1 141 141 VAL HB H 1 1.932 0.01 . . . . . . . 141 VAL HB . 53391 2 938 . 1 . 1 141 141 VAL C C 13 176.440 0.00 . . . . . . . 141 VAL C . 53391 2 939 . 1 . 1 141 141 VAL CA C 13 65.171 0.02 . . . . . . . 141 VAL CA . 53391 2 940 . 1 . 1 141 141 VAL CB C 13 30.891 0.01 . . . . . . . 141 VAL CB . 53391 2 941 . 1 . 1 141 141 VAL N N 15 116.870 0.02 . . . . . . . 141 VAL N . 53391 2 942 . 1 . 1 142 142 VAL H H 1 8.044 0.00 . . . . . . . 142 VAL H . 53391 2 943 . 1 . 1 142 142 VAL HA H 1 4.216 0.00 . . . . . . . 142 VAL HA . 53391 2 944 . 1 . 1 142 142 VAL HB H 1 1.713 0.00 . . . . . . . 142 VAL HB . 53391 2 945 . 1 . 1 142 142 VAL C C 13 177.827 0.02 . . . . . . . 142 VAL C . 53391 2 946 . 1 . 1 142 142 VAL CA C 13 65.410 0.22 . . . . . . . 142 VAL CA . 53391 2 947 . 1 . 1 142 142 VAL CB C 13 30.332 0.02 . . . . . . . 142 VAL CB . 53391 2 948 . 1 . 1 142 142 VAL N N 15 118.610 0.06 . . . . . . . 142 VAL N . 53391 2 949 . 1 . 1 143 143 LEU H H 1 7.739 0.01 . . . . . . . 143 LEU H . 53391 2 950 . 1 . 1 143 143 LEU HA H 1 3.757 0.00 . . . . . . . 143 LEU HA . 53391 2 951 . 1 . 1 143 143 LEU HB2 H 1 1.882 0.00 . . . . . . . 143 LEU HB2 . 53391 2 952 . 1 . 1 143 143 LEU C C 13 177.284 0.00 . . . . . . . 143 LEU C . 53391 2 953 . 1 . 1 143 143 LEU CA C 13 57.692 0.01 . . . . . . . 143 LEU CA . 53391 2 954 . 1 . 1 143 143 LEU CB C 13 39.999 0.02 . . . . . . . 143 LEU CB . 53391 2 955 . 1 . 1 143 143 LEU N N 15 116.785 0.03 . . . . . . . 143 LEU N . 53391 2 956 . 1 . 1 144 144 ILE H H 1 7.500 0.01 . . . . . . . 144 ILE H . 53391 2 957 . 1 . 1 144 144 ILE HA H 1 3.489 0.00 . . . . . . . 144 ILE HA . 53391 2 958 . 1 . 1 144 144 ILE HB H 1 1.738 0.00 . . . . . . . 144 ILE HB . 53391 2 959 . 1 . 1 144 144 ILE C C 13 175.967 0.02 . . . . . . . 144 ILE C . 53391 2 960 . 1 . 1 144 144 ILE CA C 13 65.376 0.00 . . . . . . . 144 ILE CA . 53391 2 961 . 1 . 1 144 144 ILE CB C 13 36.947 0.04 . . . . . . . 144 ILE CB . 53391 2 962 . 1 . 1 144 144 ILE N N 15 117.196 0.03 . . . . . . . 144 ILE N . 53391 2 963 . 1 . 1 145 145 GLU H H 1 7.638 0.00 . . . . . . . 145 GLU H . 53391 2 964 . 1 . 1 145 145 GLU HA H 1 3.417 0.00 . . . . . . . 145 GLU HA . 53391 2 965 . 1 . 1 145 145 GLU HB2 H 1 1.244 0.00 . . . . . . . 145 GLU HB2 . 53391 2 966 . 1 . 1 145 145 GLU C C 13 178.221 0.02 . . . . . . . 145 GLU C . 53391 2 967 . 1 . 1 145 145 GLU CA C 13 60.573 0.06 . . . . . . . 145 GLU CA . 53391 2 968 . 1 . 1 145 145 GLU CB C 13 27.269 0.08 . . . . . . . 145 GLU CB . 53391 2 969 . 1 . 1 145 145 GLU N N 15 123.483 0.03 . . . . . . . 145 GLU N . 53391 2 970 . 1 . 1 146 146 GLN H H 1 8.070 0.01 . . . . . . . 146 GLN H . 53391 2 971 . 1 . 1 146 146 GLN HA H 1 4.236 0.00 . . . . . . . 146 GLN HA . 53391 2 972 . 1 . 1 146 146 GLN HB2 H 1 2.032 0.00 . . . . . . . 146 GLN HB2 . 53391 2 973 . 1 . 1 146 146 GLN C C 13 178.803 0.01 . . . . . . . 146 GLN C . 53391 2 974 . 1 . 1 146 146 GLN CA C 13 57.656 0.02 . . . . . . . 146 GLN CA . 53391 2 975 . 1 . 1 146 146 GLN CB C 13 27.018 0.01 . . . . . . . 146 GLN CB . 53391 2 976 . 1 . 1 146 146 GLN N N 15 117.517 0.02 . . . . . . . 146 GLN N . 53391 2 977 . 1 . 1 147 147 VAL H H 1 8.302 0.01 . . . . . . . 147 VAL H . 53391 2 978 . 1 . 1 147 147 VAL HA H 1 4.319 0.00 . . . . . . . 147 VAL HA . 53391 2 979 . 1 . 1 147 147 VAL HB H 1 2.107 0.00 . . . . . . . 147 VAL HB . 53391 2 980 . 1 . 1 147 147 VAL C C 13 177.025 0.01 . . . . . . . 147 VAL C . 53391 2 981 . 1 . 1 147 147 VAL CA C 13 66.993 0.04 . . . . . . . 147 VAL CA . 53391 2 982 . 1 . 1 147 147 VAL CB C 13 29.988 0.09 . . . . . . . 147 VAL CB . 53391 2 983 . 1 . 1 147 147 VAL N N 15 121.176 0.04 . . . . . . . 147 VAL N . 53391 2 984 . 1 . 1 148 148 TYR H H 1 7.849 0.01 . . . . . . . 148 TYR H . 53391 2 985 . 1 . 1 148 148 TYR HA H 1 4.388 0.00 . . . . . . . 148 TYR HA . 53391 2 986 . 1 . 1 148 148 TYR HB2 H 1 3.102 0.00 . . . . . . . 148 TYR HB2 . 53391 2 987 . 1 . 1 148 148 TYR C C 13 175.753 0.01 . . . . . . . 148 TYR C . 53391 2 988 . 1 . 1 148 148 TYR CA C 13 60.966 0.00 . . . . . . . 148 TYR CA . 53391 2 989 . 1 . 1 148 148 TYR CB C 13 36.532 0.02 . . . . . . . 148 TYR CB . 53391 2 990 . 1 . 1 148 148 TYR N N 15 120.431 0.01 . . . . . . . 148 TYR N . 53391 2 991 . 1 . 1 149 149 ARG H H 1 8.850 0.00 . . . . . . . 149 ARG H . 53391 2 992 . 1 . 1 149 149 ARG HA H 1 4.446 0.00 . . . . . . . 149 ARG HA . 53391 2 993 . 1 . 1 149 149 ARG HB2 H 1 2.003 0.00 . . . . . . . 149 ARG HB2 . 53391 2 994 . 1 . 1 149 149 ARG C C 13 177.892 0.01 . . . . . . . 149 ARG C . 53391 2 995 . 1 . 1 149 149 ARG CA C 13 59.188 0.06 . . . . . . . 149 ARG CA . 53391 2 996 . 1 . 1 149 149 ARG CB C 13 29.921 0.13 . . . . . . . 149 ARG CB . 53391 2 997 . 1 . 1 149 149 ARG N N 15 120.710 0.02 . . . . . . . 149 ARG N . 53391 2 998 . 1 . 1 150 150 ALA H H 1 8.486 0.01 . . . . . . . 150 ALA H . 53391 2 999 . 1 . 1 150 150 ALA HA H 1 3.942 0.00 . . . . . . . 150 ALA HA . 53391 2 1000 . 1 . 1 150 150 ALA HB1 H 1 1.234 0.00 . . . . . . . 150 ALA HB . 53391 2 1001 . 1 . 1 150 150 ALA HB2 H 1 1.234 0.00 . . . . . . . 150 ALA HB . 53391 2 1002 . 1 . 1 150 150 ALA HB3 H 1 1.234 0.00 . . . . . . . 150 ALA HB . 53391 2 1003 . 1 . 1 150 150 ALA C C 13 179.800 0.01 . . . . . . . 150 ALA C . 53391 2 1004 . 1 . 1 150 150 ALA CA C 13 54.736 0.04 . . . . . . . 150 ALA CA . 53391 2 1005 . 1 . 1 150 150 ALA CB C 13 15.827 0.05 . . . . . . . 150 ALA CB . 53391 2 1006 . 1 . 1 150 150 ALA N N 15 120.875 0.05 . . . . . . . 150 ALA N . 53391 2 1007 . 1 . 1 151 151 PHE H H 1 7.972 0.00 . . . . . . . 151 PHE H . 53391 2 1008 . 1 . 1 151 151 PHE HA H 1 4.145 0.00 . . . . . . . 151 PHE HA . 53391 2 1009 . 1 . 1 151 151 PHE HB2 H 1 2.776 0.00 . . . . . . . 151 PHE HB2 . 53391 2 1010 . 1 . 1 151 151 PHE C C 13 178.082 0.01 . . . . . . . 151 PHE C . 53391 2 1011 . 1 . 1 151 151 PHE CA C 13 62.890 0.04 . . . . . . . 151 PHE CA . 53391 2 1012 . 1 . 1 151 151 PHE CB C 13 37.248 0.07 . . . . . . . 151 PHE CB . 53391 2 1013 . 1 . 1 151 151 PHE N N 15 118.073 0.02 . . . . . . . 151 PHE N . 53391 2 1014 . 1 . 1 152 152 LYS H H 1 7.669 0.01 . . . . . . . 152 LYS H . 53391 2 1015 . 1 . 1 152 152 LYS HA H 1 4.087 0.00 . . . . . . . 152 LYS HA . 53391 2 1016 . 1 . 1 152 152 LYS HB2 H 1 1.830 0.00 . . . . . . . 152 LYS HB2 . 53391 2 1017 . 1 . 1 152 152 LYS C C 13 179.872 0.02 . . . . . . . 152 LYS C . 53391 2 1018 . 1 . 1 152 152 LYS CA C 13 58.930 0.05 . . . . . . . 152 LYS CA . 53391 2 1019 . 1 . 1 152 152 LYS CB C 13 29.787 0.09 . . . . . . . 152 LYS CB . 53391 2 1020 . 1 . 1 152 152 LYS N N 15 119.209 0.01 . . . . . . . 152 LYS N . 53391 2 1021 . 1 . 1 153 153 ILE H H 1 8.158 0.01 . . . . . . . 153 ILE H . 53391 2 1022 . 1 . 1 153 153 ILE HA H 1 4.604 0.00 . . . . . . . 153 ILE HA . 53391 2 1023 . 1 . 1 153 153 ILE HB H 1 1.963 0.00 . . . . . . . 153 ILE HB . 53391 2 1024 . 1 . 1 153 153 ILE C C 13 179.770 0.04 . . . . . . . 153 ILE C . 53391 2 1025 . 1 . 1 153 153 ILE CA C 13 64.743 0.04 . . . . . . . 153 ILE CA . 53391 2 1026 . 1 . 1 153 153 ILE CB C 13 37.299 0.01 . . . . . . . 153 ILE CB . 53391 2 1027 . 1 . 1 153 153 ILE N N 15 120.311 0.03 . . . . . . . 153 ILE N . 53391 2 1028 . 1 . 1 154 154 MET H H 1 8.415 0.01 . . . . . . . 154 MET H . 53391 2 1029 . 1 . 1 154 154 MET HA H 1 3.822 0.00 . . . . . . . 154 MET HA . 53391 2 1030 . 1 . 1 154 154 MET HB2 H 1 1.970 0.00 . . . . . . . 154 MET HB2 . 53391 2 1031 . 1 . 1 154 154 MET C C 13 177.821 0.02 . . . . . . . 154 MET C . 53391 2 1032 . 1 . 1 154 154 MET CA C 13 58.711 0.07 . . . . . . . 154 MET CA . 53391 2 1033 . 1 . 1 154 154 MET CB C 13 33.276 0.03 . . . . . . . 154 MET CB . 53391 2 1034 . 1 . 1 154 154 MET N N 15 119.319 0.01 . . . . . . . 154 MET N . 53391 2 1035 . 1 . 1 155 155 ARG H H 1 7.836 0.00 . . . . . . . 155 ARG H . 53391 2 1036 . 1 . 1 155 155 ARG HA H 1 18.431 0.00 . . . . . . . 155 ARG HA . 53391 2 1037 . 1 . 1 155 155 ARG HB2 H 1 16.041 0.00 . . . . . . . 155 ARG HB2 . 53391 2 1038 . 1 . 1 155 155 ARG C C 13 177.115 0.01 . . . . . . . 155 ARG C . 53391 2 1039 . 1 . 1 155 155 ARG CA C 13 55.515 0.02 . . . . . . . 155 ARG CA . 53391 2 1040 . 1 . 1 155 155 ARG CB C 13 29.424 0.01 . . . . . . . 155 ARG CB . 53391 2 1041 . 1 . 1 155 155 ARG N N 15 116.558 0.06 . . . . . . . 155 ARG N . 53391 2 1042 . 1 . 1 156 156 GLY H H 1 7.791 0.00 . . . . . . . 156 GLY H . 53391 2 1043 . 1 . 1 156 156 GLY HA2 H 1 3.968 0.00 . . . . . . . 156 GLY HA2 . 53391 2 1044 . 1 . 1 156 156 GLY C C 13 174.798 0.02 . . . . . . . 156 GLY C . 53391 2 1045 . 1 . 1 156 156 GLY CA C 13 45.646 0.01 . . . . . . . 156 GLY CA . 53391 2 1046 . 1 . 1 156 156 GLY N N 15 108.936 0.01 . . . . . . . 156 GLY N . 53391 2 1047 . 1 . 1 157 157 GLU H H 1 8.200 0.00 . . . . . . . 157 GLU H . 53391 2 1048 . 1 . 1 157 157 GLU HA H 1 4.281 0.00 . . . . . . . 157 GLU HA . 53391 2 1049 . 1 . 1 157 157 GLU HB2 H 1 1.915 0.00 . . . . . . . 157 GLU HB2 . 53391 2 1050 . 1 . 1 157 157 GLU C C 13 176.479 0.01 . . . . . . . 157 GLU C . 53391 2 1051 . 1 . 1 157 157 GLU CA C 13 56.151 0.02 . . . . . . . 157 GLU CA . 53391 2 1052 . 1 . 1 157 157 GLU CB C 13 29.934 0.03 . . . . . . . 157 GLU CB . 53391 2 1053 . 1 . 1 157 157 GLU N N 15 120.316 0.01 . . . . . . . 157 GLU N . 53391 2 1054 . 1 . 1 158 158 ALA H H 1 8.147 0.01 . . . . . . . 158 ALA H . 53391 2 1055 . 1 . 1 158 158 ALA HA H 1 4.168 0.00 . . . . . . . 158 ALA HA . 53391 2 1056 . 1 . 1 158 158 ALA HB1 H 1 1.282 0.00 . . . . . . . 158 ALA HB . 53391 2 1057 . 1 . 1 158 158 ALA HB2 H 1 1.282 0.00 . . . . . . . 158 ALA HB . 53391 2 1058 . 1 . 1 158 158 ALA HB3 H 1 1.282 0.00 . . . . . . . 158 ALA HB . 53391 2 1059 . 1 . 1 158 158 ALA C C 13 177.595 0.01 . . . . . . . 158 ALA C . 53391 2 1060 . 1 . 1 158 158 ALA CA C 13 52.425 0.02 . . . . . . . 158 ALA CA . 53391 2 1061 . 1 . 1 158 158 ALA CB C 13 18.075 0.02 . . . . . . . 158 ALA CB . 53391 2 1062 . 1 . 1 158 158 ALA N N 15 123.660 0.07 . . . . . . . 158 ALA N . 53391 2 1063 . 1 . 1 159 159 TYR H H 1 7.961 0.00 . . . . . . . 159 TYR H . 53391 2 1064 . 1 . 1 159 159 TYR HA H 1 4.278 0.00 . . . . . . . 159 TYR HA . 53391 2 1065 . 1 . 1 159 159 TYR HB2 H 1 3.046 0.00 . . . . . . . 159 TYR HB2 . 53391 2 1066 . 1 . 1 159 159 TYR C C 13 175.473 0.03 . . . . . . . 159 TYR C . 53391 2 1067 . 1 . 1 159 159 TYR CA C 13 58.873 0.00 . . . . . . . 159 TYR CA . 53391 2 1068 . 1 . 1 159 159 TYR CB C 13 38.103 0.00 . . . . . . . 159 TYR CB . 53391 2 1069 . 1 . 1 159 159 TYR N N 15 119.450 0.09 . . . . . . . 159 TYR N . 53391 2 1070 . 1 . 1 160 160 HIS H H 1 8.257 0.00 . . . . . . . 160 HIS H . 53391 2 1071 . 1 . 1 160 160 HIS HA H 1 4.555 0.00 . . . . . . . 160 HIS HA . 53391 2 1072 . 1 . 1 160 160 HIS HB2 H 1 3.172 0.00 . . . . . . . 160 HIS HB2 . 53391 2 1073 . 1 . 1 160 160 HIS C C 13 174.446 0.01 . . . . . . . 160 HIS C . 53391 2 1074 . 1 . 1 160 160 HIS CA C 13 55.456 0.05 . . . . . . . 160 HIS CA . 53391 2 1075 . 1 . 1 160 160 HIS CB C 13 29.414 0.06 . . . . . . . 160 HIS CB . 53391 2 1076 . 1 . 1 160 160 HIS N N 15 120.185 0.02 . . . . . . . 160 HIS N . 53391 2 1077 . 1 . 1 161 161 LYS H H 1 8.045 0.01 . . . . . . . 161 LYS H . 53391 2 1078 . 1 . 1 161 161 LYS HA H 1 4.335 0.00 . . . . . . . 161 LYS HA . 53391 2 1079 . 1 . 1 161 161 LYS HB2 H 1 1.763 0.00 . . . . . . . 161 LYS HB2 . 53391 2 1080 . 1 . 1 161 161 LYS C C 13 176.227 0.01 . . . . . . . 161 LYS C . 53391 2 1081 . 1 . 1 161 161 LYS CA C 13 56.011 0.00 . . . . . . . 161 LYS CA . 53391 2 1082 . 1 . 1 161 161 LYS CB C 13 32.132 0.03 . . . . . . . 161 LYS CB . 53391 2 1083 . 1 . 1 161 161 LYS N N 15 123.989 0.03 . . . . . . . 161 LYS N . 53391 2 1084 . 1 . 1 162 162 GLU H H 1 8.443 0.01 . . . . . . . 162 GLU H . 53391 2 1085 . 1 . 1 162 162 GLU HA H 1 4.278 0.00 . . . . . . . 162 GLU HA . 53391 2 1086 . 1 . 1 162 162 GLU HB2 H 1 1.993 0.00 . . . . . . . 162 GLU HB2 . 53391 2 1087 . 1 . 1 162 162 GLU C C 13 176.974 0.00 . . . . . . . 162 GLU C . 53391 2 1088 . 1 . 1 162 162 GLU CA C 13 56.322 0.00 . . . . . . . 162 GLU CA . 53391 2 1089 . 1 . 1 162 162 GLU CB C 13 29.301 0.04 . . . . . . . 162 GLU CB . 53391 2 1090 . 1 . 1 162 162 GLU N N 15 122.798 0.04 . . . . . . . 162 GLU N . 53391 2 1091 . 1 . 1 163 163 GLY H H 1 8.367 0.00 . . . . . . . 163 GLY H . 53391 2 1092 . 1 . 1 163 163 GLY HA2 H 1 3.991 0.00 . . . . . . . 163 GLY HA2 . 53391 2 1093 . 1 . 1 163 163 GLY C C 13 174.736 0.01 . . . . . . . 163 GLY C . 53391 2 1094 . 1 . 1 163 163 GLY CA C 13 45.103 0.10 . . . . . . . 163 GLY CA . 53391 2 1095 . 1 . 1 163 163 GLY N N 15 110.668 0.02 . . . . . . . 163 GLY N . 53391 2 1096 . 1 . 1 164 164 GLY H H 1 8.221 0.00 . . . . . . . 164 GLY H . 53391 2 1097 . 1 . 1 164 164 GLY HA2 H 1 3.995 0.00 . . . . . . . 164 GLY HA2 . 53391 2 1098 . 1 . 1 164 164 GLY C C 13 174.327 0.01 . . . . . . . 164 GLY C . 53391 2 1099 . 1 . 1 164 164 GLY CA C 13 44.930 0.01 . . . . . . . 164 GLY CA . 53391 2 1100 . 1 . 1 164 164 GLY N N 15 109.101 0.00 . . . . . . . 164 GLY N . 53391 2 1101 . 1 . 1 165 165 SER H H 1 8.152 0.00 . . . . . . . 165 SER H . 53391 2 1102 . 1 . 1 165 165 SER C C 13 174.557 0.00 . . . . . . . 165 SER C . 53391 2 1103 . 1 . 1 165 165 SER CA C 13 58.037 0.00 . . . . . . . 165 SER CA . 53391 2 1104 . 1 . 1 165 165 SER CB C 13 63.045 0.00 . . . . . . . 165 SER CB . 53391 2 1105 . 1 . 1 165 165 SER N N 15 115.688 0.01 . . . . . . . 165 SER N . 53391 2 stop_ save_