data_52487 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52487 _Entry.Title ; Backbone chemical-shift assignments of human AK1 in MES buffer at pH5.5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-06-03 _Entry.Accession_date 2024-06-03 _Entry.Last_release_date 2024-06-17 _Entry.Original_release_date 2024-06-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_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 Magnus Wolf-Watz . . . . 52487 2 'Ameeq Ul' Mushtaq . . . . 52487 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52487 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 571 52487 '15N chemical shifts' 176 52487 '1H chemical shifts' 371 52487 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 . . 2025-11-20 . original BMRB . 52487 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52489 'Backbone chemical-shift assignments of human AK1 with Ap5A in MES buffer at pH5.5' 52487 BMRB 52490 'Backbone chemical-shift assignments of human AK1 with ADP in MES buffer at pH5.5' 52487 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52487 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41042980 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Exploring Helical Fraying Linked to Dynamics and Catalysis in Adenylate Kinase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 64 _Citation.Journal_issue 20 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 4281 _Citation.Page_last 4295 _Citation.Year 2025 _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 Jonna Mattsson J. . . . 52487 1 2 Chanrith Phoeurk C. . . . 52487 1 3 Leon Schierholz L. . . . 52487 1 4 'Ameeq Ul' Mushtaq A. U. . . 52487 1 5 'Jhon Alexander' 'Rodriguez Buitrago' J. A. . . 52487 1 6 Per Rogne P. . . . 52487 1 7 'A Elisabeth' Sauer-Eriksson A. E. . . 52487 1 8 Magnus Wolf-Watz M. . . . 52487 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52487 _Assembly.ID 1 _Assembly.Name 'Human AK1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'Human AK1' 1 $entity_1 . . yes native no no . . . 52487 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52487 _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 ; MEEKLKKTKIIFVVGGPGSG KGTQCEKIVQKYGYTHLSTG DLLRSEVSSGSARGKKLSEI MEKGQLVPLETVLDMLRDAM VAKVNTSKGFLIDGYPREVQ QGEEFERRIGQPTLLLYVDA GPETMTQRLLKRGETSGRVD DNEETIKKRLETYYKATEPV IAFYEKRGIVRKVNAEGSVD SVFSQVCTHLDALK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 194 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q6FGX9 . 'Human Adenylate Kinase 1' . . . . . . . . . . . . . . 52487 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID ; Catalyzes the reversible transfer of the terminal phosphate group between ATP and AMP. Plays an important role in cellular energy homeostasis and in adenine nucleotide metabolism ; 52487 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52487 1 2 . GLU . 52487 1 3 . GLU . 52487 1 4 . LYS . 52487 1 5 . LEU . 52487 1 6 . LYS . 52487 1 7 . LYS . 52487 1 8 . THR . 52487 1 9 . LYS . 52487 1 10 . ILE . 52487 1 11 . ILE . 52487 1 12 . PHE . 52487 1 13 . VAL . 52487 1 14 . VAL . 52487 1 15 . GLY . 52487 1 16 . GLY . 52487 1 17 . PRO . 52487 1 18 . GLY . 52487 1 19 . SER . 52487 1 20 . GLY . 52487 1 21 . LYS . 52487 1 22 . GLY . 52487 1 23 . THR . 52487 1 24 . GLN . 52487 1 25 . CYS . 52487 1 26 . GLU . 52487 1 27 . LYS . 52487 1 28 . ILE . 52487 1 29 . VAL . 52487 1 30 . GLN . 52487 1 31 . LYS . 52487 1 32 . TYR . 52487 1 33 . GLY . 52487 1 34 . TYR . 52487 1 35 . THR . 52487 1 36 . HIS . 52487 1 37 . LEU . 52487 1 38 . SER . 52487 1 39 . THR . 52487 1 40 . GLY . 52487 1 41 . ASP . 52487 1 42 . LEU . 52487 1 43 . LEU . 52487 1 44 . ARG . 52487 1 45 . SER . 52487 1 46 . GLU . 52487 1 47 . VAL . 52487 1 48 . SER . 52487 1 49 . SER . 52487 1 50 . GLY . 52487 1 51 . SER . 52487 1 52 . ALA . 52487 1 53 . ARG . 52487 1 54 . GLY . 52487 1 55 . LYS . 52487 1 56 . LYS . 52487 1 57 . LEU . 52487 1 58 . SER . 52487 1 59 . GLU . 52487 1 60 . ILE . 52487 1 61 . MET . 52487 1 62 . GLU . 52487 1 63 . LYS . 52487 1 64 . GLY . 52487 1 65 . GLN . 52487 1 66 . LEU . 52487 1 67 . VAL . 52487 1 68 . PRO . 52487 1 69 . LEU . 52487 1 70 . GLU . 52487 1 71 . THR . 52487 1 72 . VAL . 52487 1 73 . LEU . 52487 1 74 . ASP . 52487 1 75 . MET . 52487 1 76 . LEU . 52487 1 77 . ARG . 52487 1 78 . ASP . 52487 1 79 . ALA . 52487 1 80 . MET . 52487 1 81 . VAL . 52487 1 82 . ALA . 52487 1 83 . LYS . 52487 1 84 . VAL . 52487 1 85 . ASN . 52487 1 86 . THR . 52487 1 87 . SER . 52487 1 88 . LYS . 52487 1 89 . GLY . 52487 1 90 . PHE . 52487 1 91 . LEU . 52487 1 92 . ILE . 52487 1 93 . ASP . 52487 1 94 . GLY . 52487 1 95 . TYR . 52487 1 96 . PRO . 52487 1 97 . ARG . 52487 1 98 . GLU . 52487 1 99 . VAL . 52487 1 100 . GLN . 52487 1 101 . GLN . 52487 1 102 . GLY . 52487 1 103 . GLU . 52487 1 104 . GLU . 52487 1 105 . PHE . 52487 1 106 . GLU . 52487 1 107 . ARG . 52487 1 108 . ARG . 52487 1 109 . ILE . 52487 1 110 . GLY . 52487 1 111 . GLN . 52487 1 112 . PRO . 52487 1 113 . THR . 52487 1 114 . LEU . 52487 1 115 . LEU . 52487 1 116 . LEU . 52487 1 117 . TYR . 52487 1 118 . VAL . 52487 1 119 . ASP . 52487 1 120 . ALA . 52487 1 121 . GLY . 52487 1 122 . PRO . 52487 1 123 . GLU . 52487 1 124 . THR . 52487 1 125 . MET . 52487 1 126 . THR . 52487 1 127 . GLN . 52487 1 128 . ARG . 52487 1 129 . LEU . 52487 1 130 . LEU . 52487 1 131 . LYS . 52487 1 132 . ARG . 52487 1 133 . GLY . 52487 1 134 . GLU . 52487 1 135 . THR . 52487 1 136 . SER . 52487 1 137 . GLY . 52487 1 138 . ARG . 52487 1 139 . VAL . 52487 1 140 . ASP . 52487 1 141 . ASP . 52487 1 142 . ASN . 52487 1 143 . GLU . 52487 1 144 . GLU . 52487 1 145 . THR . 52487 1 146 . ILE . 52487 1 147 . LYS . 52487 1 148 . LYS . 52487 1 149 . ARG . 52487 1 150 . LEU . 52487 1 151 . GLU . 52487 1 152 . THR . 52487 1 153 . TYR . 52487 1 154 . TYR . 52487 1 155 . LYS . 52487 1 156 . ALA . 52487 1 157 . THR . 52487 1 158 . GLU . 52487 1 159 . PRO . 52487 1 160 . VAL . 52487 1 161 . ILE . 52487 1 162 . ALA . 52487 1 163 . PHE . 52487 1 164 . TYR . 52487 1 165 . GLU . 52487 1 166 . LYS . 52487 1 167 . ARG . 52487 1 168 . GLY . 52487 1 169 . ILE . 52487 1 170 . VAL . 52487 1 171 . ARG . 52487 1 172 . LYS . 52487 1 173 . VAL . 52487 1 174 . ASN . 52487 1 175 . ALA . 52487 1 176 . GLU . 52487 1 177 . GLY . 52487 1 178 . SER . 52487 1 179 . VAL . 52487 1 180 . ASP . 52487 1 181 . SER . 52487 1 182 . VAL . 52487 1 183 . PHE . 52487 1 184 . SER . 52487 1 185 . GLN . 52487 1 186 . VAL . 52487 1 187 . CYS . 52487 1 188 . THR . 52487 1 189 . HIS . 52487 1 190 . LEU . 52487 1 191 . ASP . 52487 1 192 . ALA . 52487 1 193 . LEU . 52487 1 194 . LYS . 52487 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 52487 1 . GLU 2 2 52487 1 . GLU 3 3 52487 1 . LYS 4 4 52487 1 . LEU 5 5 52487 1 . LYS 6 6 52487 1 . LYS 7 7 52487 1 . THR 8 8 52487 1 . LYS 9 9 52487 1 . ILE 10 10 52487 1 . ILE 11 11 52487 1 . PHE 12 12 52487 1 . VAL 13 13 52487 1 . VAL 14 14 52487 1 . GLY 15 15 52487 1 . GLY 16 16 52487 1 . PRO 17 17 52487 1 . GLY 18 18 52487 1 . SER 19 19 52487 1 . GLY 20 20 52487 1 . LYS 21 21 52487 1 . GLY 22 22 52487 1 . THR 23 23 52487 1 . GLN 24 24 52487 1 . CYS 25 25 52487 1 . GLU 26 26 52487 1 . LYS 27 27 52487 1 . ILE 28 28 52487 1 . VAL 29 29 52487 1 . GLN 30 30 52487 1 . LYS 31 31 52487 1 . TYR 32 32 52487 1 . GLY 33 33 52487 1 . TYR 34 34 52487 1 . THR 35 35 52487 1 . HIS 36 36 52487 1 . LEU 37 37 52487 1 . SER 38 38 52487 1 . THR 39 39 52487 1 . GLY 40 40 52487 1 . ASP 41 41 52487 1 . LEU 42 42 52487 1 . LEU 43 43 52487 1 . ARG 44 44 52487 1 . SER 45 45 52487 1 . GLU 46 46 52487 1 . VAL 47 47 52487 1 . SER 48 48 52487 1 . SER 49 49 52487 1 . GLY 50 50 52487 1 . SER 51 51 52487 1 . ALA 52 52 52487 1 . ARG 53 53 52487 1 . GLY 54 54 52487 1 . LYS 55 55 52487 1 . LYS 56 56 52487 1 . LEU 57 57 52487 1 . SER 58 58 52487 1 . GLU 59 59 52487 1 . ILE 60 60 52487 1 . MET 61 61 52487 1 . GLU 62 62 52487 1 . LYS 63 63 52487 1 . GLY 64 64 52487 1 . GLN 65 65 52487 1 . LEU 66 66 52487 1 . VAL 67 67 52487 1 . PRO 68 68 52487 1 . LEU 69 69 52487 1 . GLU 70 70 52487 1 . THR 71 71 52487 1 . VAL 72 72 52487 1 . LEU 73 73 52487 1 . ASP 74 74 52487 1 . MET 75 75 52487 1 . LEU 76 76 52487 1 . ARG 77 77 52487 1 . ASP 78 78 52487 1 . ALA 79 79 52487 1 . MET 80 80 52487 1 . VAL 81 81 52487 1 . ALA 82 82 52487 1 . LYS 83 83 52487 1 . VAL 84 84 52487 1 . ASN 85 85 52487 1 . THR 86 86 52487 1 . SER 87 87 52487 1 . LYS 88 88 52487 1 . GLY 89 89 52487 1 . PHE 90 90 52487 1 . LEU 91 91 52487 1 . ILE 92 92 52487 1 . ASP 93 93 52487 1 . GLY 94 94 52487 1 . TYR 95 95 52487 1 . PRO 96 96 52487 1 . ARG 97 97 52487 1 . GLU 98 98 52487 1 . VAL 99 99 52487 1 . GLN 100 100 52487 1 . GLN 101 101 52487 1 . GLY 102 102 52487 1 . GLU 103 103 52487 1 . GLU 104 104 52487 1 . PHE 105 105 52487 1 . GLU 106 106 52487 1 . ARG 107 107 52487 1 . ARG 108 108 52487 1 . ILE 109 109 52487 1 . GLY 110 110 52487 1 . GLN 111 111 52487 1 . PRO 112 112 52487 1 . THR 113 113 52487 1 . LEU 114 114 52487 1 . LEU 115 115 52487 1 . LEU 116 116 52487 1 . TYR 117 117 52487 1 . VAL 118 118 52487 1 . ASP 119 119 52487 1 . ALA 120 120 52487 1 . GLY 121 121 52487 1 . PRO 122 122 52487 1 . GLU 123 123 52487 1 . THR 124 124 52487 1 . MET 125 125 52487 1 . THR 126 126 52487 1 . GLN 127 127 52487 1 . ARG 128 128 52487 1 . LEU 129 129 52487 1 . LEU 130 130 52487 1 . LYS 131 131 52487 1 . ARG 132 132 52487 1 . GLY 133 133 52487 1 . GLU 134 134 52487 1 . THR 135 135 52487 1 . SER 136 136 52487 1 . GLY 137 137 52487 1 . ARG 138 138 52487 1 . VAL 139 139 52487 1 . ASP 140 140 52487 1 . ASP 141 141 52487 1 . ASN 142 142 52487 1 . GLU 143 143 52487 1 . GLU 144 144 52487 1 . THR 145 145 52487 1 . ILE 146 146 52487 1 . LYS 147 147 52487 1 . LYS 148 148 52487 1 . ARG 149 149 52487 1 . LEU 150 150 52487 1 . GLU 151 151 52487 1 . THR 152 152 52487 1 . TYR 153 153 52487 1 . TYR 154 154 52487 1 . LYS 155 155 52487 1 . ALA 156 156 52487 1 . THR 157 157 52487 1 . GLU 158 158 52487 1 . PRO 159 159 52487 1 . VAL 160 160 52487 1 . ILE 161 161 52487 1 . ALA 162 162 52487 1 . PHE 163 163 52487 1 . TYR 164 164 52487 1 . GLU 165 165 52487 1 . LYS 166 166 52487 1 . ARG 167 167 52487 1 . GLY 168 168 52487 1 . ILE 169 169 52487 1 . VAL 170 170 52487 1 . ARG 171 171 52487 1 . LYS 172 172 52487 1 . VAL 173 173 52487 1 . ASN 174 174 52487 1 . ALA 175 175 52487 1 . GLU 176 176 52487 1 . GLY 177 177 52487 1 . SER 178 178 52487 1 . VAL 179 179 52487 1 . ASP 180 180 52487 1 . SER 181 181 52487 1 . VAL 182 182 52487 1 . PHE 183 183 52487 1 . SER 184 184 52487 1 . GLN 185 185 52487 1 . VAL 186 186 52487 1 . CYS 187 187 52487 1 . THR 188 188 52487 1 . HIS 189 189 52487 1 . LEU 190 190 52487 1 . ASP 191 191 52487 1 . ALA 192 192 52487 1 . LEU 193 193 52487 1 . LYS 194 194 52487 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 52487 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 52487 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 52487 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pET24d . . . 52487 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52487 _Sample.ID 1 _Sample.Name 'Human AK1' _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.8mM Human AK1 13C, 15N labeled in NMR buffer (30mM MES, 50mM NaCl pH 5.5 )' _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 'Human AK1' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM . . . . 52487 1 2 MES 'natural abundance' . . . . . . 30 . . mM . . . . 52487 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52487 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52487 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample 1' _Sample_condition_list.Details '0.8mM Human AK1 13C, 15N labeled sample in NMR buffer (30mM MES, 50mM NaCl pH 5.5 )' 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' 50 . mM 52487 1 pH 5.5 . pH 52487 1 pressure 1 . atm 52487 1 temperature 298 . K 52487 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52487 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details '3.5 pl 7' loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52487 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52487 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52487 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52487 _Software.ID 3 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 52487 3 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 52487 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 600MHz' _NMR_spectrometer.Details 'Bruker BioSpin GmbH 600MHz' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 52487 _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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52487 1 2 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52487 1 3 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52487 1 4 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52487 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52487 1 6 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52487 1 7 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52487 1 8 '3D HBHA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52487 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 52487 _Computing_platform.ID 1 _Computing_platform.Name 'Lab Linux station' _Computing_platform.Reference_ID . _Computing_platform.Site 'Department of Chemistry, Umea University' _Computing_platform.Site_reference_ID . _Computing_platform.Details . 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 52487 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Human AK1 bb chemical shifts' _Chem_shift_reference.Details 'Chemical shift calibration from water signal with NMRPipe Conversion Utility' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.25144 . . . . . 52487 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52487 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.1013 . . . . . 52487 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 52487 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Human AK1 backbone chemical shifts' _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' . . . 52487 1 2 '3D CBCA(CO)NH' . . . 52487 1 3 '3D HNCACB' . . . 52487 1 4 '3D HNCA' . . . 52487 1 5 '3D HN(CO)CA' . . . 52487 1 6 '3D HNCO' . . . 52487 1 7 '3D HN(CA)CO' . . . 52487 1 8 '3D HBHA(CO)NH' . . . 52487 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 . . 52487 1 2 $software_2 . . 52487 1 3 $software_3 . . 52487 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET C C 13 175.882 0.000 . 1 . . . . . 1 MET C . 52487 1 2 . 1 . 1 1 1 MET CA C 13 56.745 0.000 . 1 . . . . . 1 MET CA . 52487 1 3 . 1 . 1 1 1 MET CB C 13 30.772 0.000 . 1 . . . . . 1 MET CB . 52487 1 4 . 1 . 1 1 1 MET CG C 13 35.724 0.000 . 1 . . . . . 1 MET CG . 52487 1 5 . 1 . 1 2 2 GLU H H 1 8.641 0.001 . 1 . . . . . 2 GLU H . 52487 1 6 . 1 . 1 2 2 GLU C C 13 176.397 0.046 . 1 . . . . . 2 GLU C . 52487 1 7 . 1 . 1 2 2 GLU CA C 13 54.730 0.000 . 1 . . . . . 2 GLU CA . 52487 1 8 . 1 . 1 2 2 GLU CB C 13 29.759 0.000 . 1 . . . . . 2 GLU CB . 52487 1 9 . 1 . 1 2 2 GLU CG C 13 36.807 0.000 . 1 . . . . . 2 GLU CG . 52487 1 10 . 1 . 1 2 2 GLU N N 15 123.797 0.007 . 1 . . . . . 2 GLU N . 52487 1 11 . 1 . 1 3 3 GLU H H 1 9.224 0.001 . 1 . . . . . 3 GLU H . 52487 1 12 . 1 . 1 3 3 GLU HA H 1 3.986 0.000 . 1 . . . . . 3 GLU HA . 52487 1 13 . 1 . 1 3 3 GLU HB2 H 1 2.372 0.000 . 2 . . . . . 3 GLU HB2 . 52487 1 14 . 1 . 1 3 3 GLU HB3 H 1 2.081 0.000 . 2 . . . . . 3 GLU HB3 . 52487 1 15 . 1 . 1 3 3 GLU C C 13 178.727 0.001 . 1 . . . . . 3 GLU C . 52487 1 16 . 1 . 1 3 3 GLU CA C 13 59.721 0.000 . 1 . . . . . 3 GLU CA . 52487 1 17 . 1 . 1 3 3 GLU CB C 13 29.754 0.004 . 1 . . . . . 3 GLU CB . 52487 1 18 . 1 . 1 3 3 GLU N N 15 131.624 0.009 . 1 . . . . . 3 GLU N . 52487 1 19 . 1 . 1 4 4 LYS H H 1 9.310 0.002 . 1 . . . . . 4 LYS H . 52487 1 20 . 1 . 1 4 4 LYS HA H 1 4.156 0.000 . 1 . . . . . 4 LYS HA . 52487 1 21 . 1 . 1 4 4 LYS HB2 H 1 1.884 0.000 . 1 . . . . . 4 LYS HB2 . 52487 1 22 . 1 . 1 4 4 LYS C C 13 177.628 0.004 . 1 . . . . . 4 LYS C . 52487 1 23 . 1 . 1 4 4 LYS CA C 13 58.747 0.004 . 1 . . . . . 4 LYS CA . 52487 1 24 . 1 . 1 4 4 LYS CB C 13 32.915 0.106 . 1 . . . . . 4 LYS CB . 52487 1 25 . 1 . 1 4 4 LYS N N 15 117.181 0.040 . 1 . . . . . 4 LYS N . 52487 1 26 . 1 . 1 5 5 LEU CG C 13 26.947 0.000 . 1 . . . . . 5 LEU CG . 52487 1 27 . 1 . 1 6 6 LYS H H 1 7.331 0.001 . 1 . . . . . 6 LYS H . 52487 1 28 . 1 . 1 6 6 LYS C C 13 176.867 0.002 . 1 . . . . . 6 LYS C . 52487 1 29 . 1 . 1 6 6 LYS CA C 13 58.753 0.003 . 1 . . . . . 6 LYS CA . 52487 1 30 . 1 . 1 6 6 LYS CB C 13 32.800 0.000 . 1 . . . . . 6 LYS CB . 52487 1 31 . 1 . 1 6 6 LYS N N 15 119.489 0.008 . 1 . . . . . 6 LYS N . 52487 1 32 . 1 . 1 7 7 LYS H H 1 8.319 0.001 . 1 . . . . . 7 LYS H . 52487 1 33 . 1 . 1 7 7 LYS HA H 1 4.474 0.000 . 1 . . . . . 7 LYS HA . 52487 1 34 . 1 . 1 7 7 LYS HB2 H 1 1.734 0.000 . 2 . . . . . 7 LYS HB2 . 52487 1 35 . 1 . 1 7 7 LYS HB3 H 1 2.072 0.000 . 2 . . . . . 7 LYS HB3 . 52487 1 36 . 1 . 1 7 7 LYS C C 13 176.105 0.000 . 1 . . . . . 7 LYS C . 52487 1 37 . 1 . 1 7 7 LYS CA C 13 55.747 0.004 . 1 . . . . . 7 LYS CA . 52487 1 38 . 1 . 1 7 7 LYS CB C 13 31.771 0.014 . 1 . . . . . 7 LYS CB . 52487 1 39 . 1 . 1 7 7 LYS N N 15 116.969 0.006 . 1 . . . . . 7 LYS N . 52487 1 40 . 1 . 1 8 8 THR H H 1 7.365 0.001 . 1 . . . . . 8 THR H . 52487 1 41 . 1 . 1 8 8 THR C C 13 173.689 0.007 . 1 . . . . . 8 THR C . 52487 1 42 . 1 . 1 8 8 THR CA C 13 61.748 0.007 . 1 . . . . . 8 THR CA . 52487 1 43 . 1 . 1 8 8 THR CB C 13 69.727 0.026 . 1 . . . . . 8 THR CB . 52487 1 44 . 1 . 1 8 8 THR N N 15 116.114 0.014 . 1 . . . . . 8 THR N . 52487 1 45 . 1 . 1 9 9 LYS H H 1 8.328 0.001 . 1 . . . . . 9 LYS H . 52487 1 46 . 1 . 1 9 9 LYS HA H 1 4.440 0.000 . 1 . . . . . 9 LYS HA . 52487 1 47 . 1 . 1 9 9 LYS C C 13 175.088 0.043 . 1 . . . . . 9 LYS C . 52487 1 48 . 1 . 1 9 9 LYS CA C 13 55.763 0.000 . 1 . . . . . 9 LYS CA . 52487 1 49 . 1 . 1 9 9 LYS CB C 13 33.743 0.006 . 1 . . . . . 9 LYS CB . 52487 1 50 . 1 . 1 9 9 LYS N N 15 123.914 0.009 . 1 . . . . . 9 LYS N . 52487 1 51 . 1 . 1 10 10 ILE H H 1 8.553 0.001 . 1 . . . . . 10 ILE H . 52487 1 52 . 1 . 1 10 10 ILE HA H 1 4.511 0.000 . 1 . . . . . 10 ILE HA . 52487 1 53 . 1 . 1 10 10 ILE HB H 1 1.697 0.000 . 1 . . . . . 10 ILE HB . 52487 1 54 . 1 . 1 10 10 ILE C C 13 174.132 0.000 . 1 . . . . . 10 ILE C . 52487 1 55 . 1 . 1 10 10 ILE CA C 13 61.708 0.009 . 1 . . . . . 10 ILE CA . 52487 1 56 . 1 . 1 10 10 ILE CB C 13 40.766 0.018 . 1 . . . . . 10 ILE CB . 52487 1 57 . 1 . 1 10 10 ILE N N 15 123.594 0.009 . 1 . . . . . 10 ILE N . 52487 1 58 . 1 . 1 11 11 ILE H H 1 9.287 0.002 . 1 . . . . . 11 ILE H . 52487 1 59 . 1 . 1 11 11 ILE HA H 1 4.847 0.000 . 1 . . . . . 11 ILE HA . 52487 1 60 . 1 . 1 11 11 ILE C C 13 176.101 0.002 . 1 . . . . . 11 ILE C . 52487 1 61 . 1 . 1 11 11 ILE CA C 13 58.741 0.000 . 1 . . . . . 11 ILE CA . 52487 1 62 . 1 . 1 11 11 ILE CB C 13 39.788 0.021 . 1 . . . . . 11 ILE CB . 52487 1 63 . 1 . 1 11 11 ILE N N 15 128.698 0.064 . 1 . . . . . 11 ILE N . 52487 1 64 . 1 . 1 12 12 PHE H H 1 8.347 0.001 . 1 . . . . . 12 PHE H . 52487 1 65 . 1 . 1 12 12 PHE C C 13 175.337 0.001 . 1 . . . . . 12 PHE C . 52487 1 66 . 1 . 1 12 12 PHE CA C 13 53.735 0.000 . 1 . . . . . 12 PHE CA . 52487 1 67 . 1 . 1 12 12 PHE CB C 13 39.617 0.102 . 1 . . . . . 12 PHE CB . 52487 1 68 . 1 . 1 12 12 PHE N N 15 127.113 0.005 . 1 . . . . . 12 PHE N . 52487 1 69 . 1 . 1 13 13 VAL H H 1 8.798 0.001 . 1 . . . . . 13 VAL H . 52487 1 70 . 1 . 1 13 13 VAL HA H 1 4.998 0.000 . 1 . . . . . 13 VAL HA . 52487 1 71 . 1 . 1 13 13 VAL HB H 1 1.992 0.000 . 1 . . . . . 13 VAL HB . 52487 1 72 . 1 . 1 13 13 VAL C C 13 173.770 0.050 . 1 . . . . . 13 VAL C . 52487 1 73 . 1 . 1 13 13 VAL CA C 13 61.797 0.085 . 1 . . . . . 13 VAL CA . 52487 1 74 . 1 . 1 13 13 VAL CB C 13 33.096 0.081 . 1 . . . . . 13 VAL CB . 52487 1 75 . 1 . 1 13 13 VAL CG1 C 13 21.472 0.000 . 1 . . . . . 13 VAL CG1 . 52487 1 76 . 1 . 1 13 13 VAL N N 15 123.929 0.011 . 1 . . . . . 13 VAL N . 52487 1 77 . 1 . 1 14 14 VAL H H 1 9.048 0.001 . 1 . . . . . 14 VAL H . 52487 1 78 . 1 . 1 14 14 VAL C C 13 174.132 0.001 . 1 . . . . . 14 VAL C . 52487 1 79 . 1 . 1 14 14 VAL CA C 13 60.253 0.100 . 1 . . . . . 14 VAL CA . 52487 1 80 . 1 . 1 14 14 VAL CB C 13 35.748 0.000 . 1 . . . . . 14 VAL CB . 52487 1 81 . 1 . 1 14 14 VAL N N 15 127.390 0.014 . 1 . . . . . 14 VAL N . 52487 1 82 . 1 . 1 15 15 GLY H H 1 8.275 0.001 . 1 . . . . . 15 GLY H . 52487 1 83 . 1 . 1 15 15 GLY HA2 H 1 4.136 0.000 . 1 . . . . . 15 GLY HA2 . 52487 1 84 . 1 . 1 15 15 GLY HA3 H 1 4.136 0.000 . 1 . . . . . 15 GLY HA3 . 52487 1 85 . 1 . 1 15 15 GLY C C 13 173.323 0.030 . 1 . . . . . 15 GLY C . 52487 1 86 . 1 . 1 15 15 GLY CA C 13 46.745 0.002 . 1 . . . . . 15 GLY CA . 52487 1 87 . 1 . 1 15 15 GLY N N 15 112.747 0.022 . 1 . . . . . 15 GLY N . 52487 1 88 . 1 . 1 16 16 GLY H H 1 9.298 0.002 . 1 . . . . . 16 GLY H . 52487 1 89 . 1 . 1 16 16 GLY CA C 13 43.775 0.000 . 1 . . . . . 16 GLY CA . 52487 1 90 . 1 . 1 16 16 GLY N N 15 109.330 0.038 . 1 . . . . . 16 GLY N . 52487 1 91 . 1 . 1 18 18 GLY HA2 H 1 3.985 0.000 . 2 . . . . . 18 GLY HA2 . 52487 1 92 . 1 . 1 18 18 GLY HA3 H 1 3.652 0.000 . 2 . . . . . 18 GLY HA3 . 52487 1 93 . 1 . 1 18 18 GLY C C 13 175.288 0.000 . 1 . . . . . 18 GLY C . 52487 1 94 . 1 . 1 18 18 GLY CA C 13 45.358 0.014 . 1 . . . . . 18 GLY CA . 52487 1 95 . 1 . 1 19 19 SER H H 1 8.198 0.001 . 1 . . . . . 19 SER H . 52487 1 96 . 1 . 1 19 19 SER HB2 H 1 3.646 0.000 . 1 . . . . . 19 SER HB2 . 52487 1 97 . 1 . 1 19 19 SER HB3 H 1 3.646 0.000 . 1 . . . . . 19 SER HB3 . 52487 1 98 . 1 . 1 19 19 SER CA C 13 60.742 0.002 . 1 . . . . . 19 SER CA . 52487 1 99 . 1 . 1 19 19 SER CB C 13 64.728 0.007 . 1 . . . . . 19 SER CB . 52487 1 100 . 1 . 1 19 19 SER N N 15 114.638 0.010 . 1 . . . . . 19 SER N . 52487 1 101 . 1 . 1 20 20 GLY H H 1 8.683 0.002 . 1 . . . . . 20 GLY H . 52487 1 102 . 1 . 1 20 20 GLY C C 13 176.868 0.000 . 1 . . . . . 20 GLY C . 52487 1 103 . 1 . 1 20 20 GLY CA C 13 45.745 0.005 . 1 . . . . . 20 GLY CA . 52487 1 104 . 1 . 1 20 20 GLY N N 15 108.883 0.135 . 1 . . . . . 20 GLY N . 52487 1 105 . 1 . 1 21 21 LYS H H 1 7.792 0.002 . 1 . . . . . 21 LYS H . 52487 1 106 . 1 . 1 21 21 LYS C C 13 176.977 0.001 . 1 . . . . . 21 LYS C . 52487 1 107 . 1 . 1 21 21 LYS CA C 13 59.748 0.011 . 1 . . . . . 21 LYS CA . 52487 1 108 . 1 . 1 21 21 LYS CB C 13 31.743 0.008 . 1 . . . . . 21 LYS CB . 52487 1 109 . 1 . 1 21 21 LYS N N 15 118.294 0.002 . 1 . . . . . 21 LYS N . 52487 1 110 . 1 . 1 22 22 GLY H H 1 8.905 0.002 . 1 . . . . . 22 GLY H . 52487 1 111 . 1 . 1 22 22 GLY C C 13 174.123 0.013 . 1 . . . . . 22 GLY C . 52487 1 112 . 1 . 1 22 22 GLY CA C 13 47.738 0.000 . 1 . . . . . 22 GLY CA . 52487 1 113 . 1 . 1 22 22 GLY N N 15 112.545 0.008 . 1 . . . . . 22 GLY N . 52487 1 114 . 1 . 1 23 23 THR H H 1 8.161 0.002 . 1 . . . . . 23 THR H . 52487 1 115 . 1 . 1 23 23 THR HA H 1 3.932 0.000 . 1 . . . . . 23 THR HA . 52487 1 116 . 1 . 1 23 23 THR HB H 1 4.110 0.000 . 1 . . . . . 23 THR HB . 52487 1 117 . 1 . 1 23 23 THR C C 13 176.862 0.000 . 1 . . . . . 23 THR C . 52487 1 118 . 1 . 1 23 23 THR CA C 13 65.752 0.000 . 1 . . . . . 23 THR CA . 52487 1 119 . 1 . 1 23 23 THR CB C 13 68.726 0.001 . 1 . . . . . 23 THR CB . 52487 1 120 . 1 . 1 23 23 THR N N 15 115.696 0.002 . 1 . . . . . 23 THR N . 52487 1 121 . 1 . 1 24 24 GLN H H 1 7.478 0.000 . 1 . . . . . 24 GLN H . 52487 1 122 . 1 . 1 24 24 GLN C C 13 178.440 0.000 . 1 . . . . . 24 GLN C . 52487 1 123 . 1 . 1 24 24 GLN CA C 13 58.736 0.000 . 1 . . . . . 24 GLN CA . 52487 1 124 . 1 . 1 24 24 GLN CB C 13 26.758 0.000 . 1 . . . . . 24 GLN CB . 52487 1 125 . 1 . 1 24 24 GLN N N 15 117.343 0.017 . 1 . . . . . 24 GLN N . 52487 1 126 . 1 . 1 25 25 CYS C C 13 176.098 0.000 . 1 . . . . . 25 CYS C . 52487 1 127 . 1 . 1 25 25 CYS CA C 13 64.724 0.000 . 1 . . . . . 25 CYS CA . 52487 1 128 . 1 . 1 25 25 CYS CB C 13 25.744 0.000 . 1 . . . . . 25 CYS CB . 52487 1 129 . 1 . 1 26 26 GLU H H 1 7.562 0.001 . 1 . . . . . 26 GLU H . 52487 1 130 . 1 . 1 26 26 GLU C C 13 179.062 0.008 . 1 . . . . . 26 GLU C . 52487 1 131 . 1 . 1 26 26 GLU CA C 13 59.742 0.008 . 1 . . . . . 26 GLU CA . 52487 1 132 . 1 . 1 26 26 GLU CB C 13 29.738 0.003 . 1 . . . . . 26 GLU CB . 52487 1 133 . 1 . 1 26 26 GLU N N 15 118.502 0.005 . 1 . . . . . 26 GLU N . 52487 1 134 . 1 . 1 27 27 LYS H H 1 7.689 0.002 . 1 . . . . . 27 LYS H . 52487 1 135 . 1 . 1 27 27 LYS CA C 13 59.671 0.000 . 1 . . . . . 27 LYS CA . 52487 1 136 . 1 . 1 27 27 LYS CB C 13 30.769 0.000 . 1 . . . . . 27 LYS CB . 52487 1 137 . 1 . 1 27 27 LYS N N 15 119.747 0.012 . 1 . . . . . 27 LYS N . 52487 1 138 . 1 . 1 29 29 VAL C C 13 179.017 0.000 . 1 . . . . . 29 VAL C . 52487 1 139 . 1 . 1 29 29 VAL CA C 13 67.719 0.000 . 1 . . . . . 29 VAL CA . 52487 1 140 . 1 . 1 29 29 VAL CB C 13 31.735 0.000 . 1 . . . . . 29 VAL CB . 52487 1 141 . 1 . 1 30 30 GLN H H 1 7.557 0.002 . 1 . . . . . 30 GLN H . 52487 1 142 . 1 . 1 30 30 GLN HA H 1 3.985 0.000 . 1 . . . . . 30 GLN HA . 52487 1 143 . 1 . 1 30 30 GLN HB2 H 1 2.072 0.000 . 1 . . . . . 30 GLN HB2 . 52487 1 144 . 1 . 1 30 30 GLN C C 13 177.040 0.043 . 1 . . . . . 30 GLN C . 52487 1 145 . 1 . 1 30 30 GLN CA C 13 58.854 0.086 . 1 . . . . . 30 GLN CA . 52487 1 146 . 1 . 1 30 30 GLN CB C 13 28.751 0.022 . 1 . . . . . 30 GLN CB . 52487 1 147 . 1 . 1 30 30 GLN CG C 13 33.520 0.000 . 1 . . . . . 30 GLN CG . 52487 1 148 . 1 . 1 30 30 GLN N N 15 117.092 0.009 . 1 . . . . . 30 GLN N . 52487 1 149 . 1 . 1 31 31 LYS H H 1 7.746 0.001 . 1 . . . . . 31 LYS H . 52487 1 150 . 1 . 1 31 31 LYS C C 13 177.317 0.007 . 1 . . . . . 31 LYS C . 52487 1 151 . 1 . 1 31 31 LYS CA C 13 58.733 0.001 . 1 . . . . . 31 LYS CA . 52487 1 152 . 1 . 1 31 31 LYS CB C 13 34.602 0.017 . 1 . . . . . 31 LYS CB . 52487 1 153 . 1 . 1 31 31 LYS CG C 13 24.937 0.000 . 1 . . . . . 31 LYS CG . 52487 1 154 . 1 . 1 31 31 LYS N N 15 116.784 0.003 . 1 . . . . . 31 LYS N . 52487 1 155 . 1 . 1 32 32 TYR H H 1 8.783 0.001 . 1 . . . . . 32 TYR H . 52487 1 156 . 1 . 1 32 32 TYR HA H 1 4.321 0.000 . 1 . . . . . 32 TYR HA . 52487 1 157 . 1 . 1 32 32 TYR C C 13 177.304 0.002 . 1 . . . . . 32 TYR C . 52487 1 158 . 1 . 1 32 32 TYR CA C 13 59.702 0.009 . 1 . . . . . 32 TYR CA . 52487 1 159 . 1 . 1 32 32 TYR CB C 13 39.733 0.016 . 1 . . . . . 32 TYR CB . 52487 1 160 . 1 . 1 32 32 TYR N N 15 113.588 0.022 . 1 . . . . . 32 TYR N . 52487 1 161 . 1 . 1 33 33 GLY H H 1 7.944 0.002 . 1 . . . . . 33 GLY H . 52487 1 162 . 1 . 1 33 33 GLY HA2 H 1 4.039 0.000 . 1 . . . . . 33 GLY HA2 . 52487 1 163 . 1 . 1 33 33 GLY HA3 H 1 4.039 0.000 . 1 . . . . . 33 GLY HA3 . 52487 1 164 . 1 . 1 33 33 GLY C C 13 175.661 0.003 . 1 . . . . . 33 GLY C . 52487 1 165 . 1 . 1 33 33 GLY CA C 13 46.747 0.003 . 1 . . . . . 33 GLY CA . 52487 1 166 . 1 . 1 33 33 GLY N N 15 106.433 0.023 . 1 . . . . . 33 GLY N . 52487 1 167 . 1 . 1 34 34 TYR H H 1 6.156 0.001 . 1 . . . . . 34 TYR H . 52487 1 168 . 1 . 1 34 34 TYR HA H 1 4.614 0.000 . 1 . . . . . 34 TYR HA . 52487 1 169 . 1 . 1 34 34 TYR C C 13 174.134 0.000 . 1 . . . . . 34 TYR C . 52487 1 170 . 1 . 1 34 34 TYR CA C 13 55.740 0.010 . 1 . . . . . 34 TYR CA . 52487 1 171 . 1 . 1 34 34 TYR CB C 13 39.756 0.004 . 1 . . . . . 34 TYR CB . 52487 1 172 . 1 . 1 34 34 TYR N N 15 118.002 0.196 . 1 . . . . . 34 TYR N . 52487 1 173 . 1 . 1 35 35 THR H H 1 8.649 0.001 . 1 . . . . . 35 THR H . 52487 1 174 . 1 . 1 35 35 THR HA H 1 4.471 0.000 . 1 . . . . . 35 THR HA . 52487 1 175 . 1 . 1 35 35 THR HB H 1 3.909 0.000 . 1 . . . . . 35 THR HB . 52487 1 176 . 1 . 1 35 35 THR C C 13 173.620 0.009 . 1 . . . . . 35 THR C . 52487 1 177 . 1 . 1 35 35 THR CA C 13 62.719 0.013 . 1 . . . . . 35 THR CA . 52487 1 178 . 1 . 1 35 35 THR CB C 13 70.711 0.019 . 1 . . . . . 35 THR CB . 52487 1 179 . 1 . 1 35 35 THR N N 15 116.371 0.004 . 1 . . . . . 35 THR N . 52487 1 180 . 1 . 1 36 36 HIS H H 1 9.600 0.001 . 1 . . . . . 36 HIS H . 52487 1 181 . 1 . 1 36 36 HIS C C 13 172.762 0.028 . 1 . . . . . 36 HIS C . 52487 1 182 . 1 . 1 36 36 HIS CA C 13 53.744 0.005 . 1 . . . . . 36 HIS CA . 52487 1 183 . 1 . 1 36 36 HIS CB C 13 30.753 0.006 . 1 . . . . . 36 HIS CB . 52487 1 184 . 1 . 1 36 36 HIS N N 15 129.180 0.094 . 1 . . . . . 36 HIS N . 52487 1 185 . 1 . 1 37 37 LEU H H 1 9.269 0.002 . 1 . . . . . 37 LEU H . 52487 1 186 . 1 . 1 37 37 LEU HA H 1 5.007 0.000 . 1 . . . . . 37 LEU HA . 52487 1 187 . 1 . 1 37 37 LEU C C 13 174.676 0.005 . 1 . . . . . 37 LEU C . 52487 1 188 . 1 . 1 37 37 LEU CA C 13 53.741 0.009 . 1 . . . . . 37 LEU CA . 52487 1 189 . 1 . 1 37 37 LEU CB C 13 44.752 0.019 . 1 . . . . . 37 LEU CB . 52487 1 190 . 1 . 1 37 37 LEU N N 15 128.469 0.137 . 1 . . . . . 37 LEU N . 52487 1 191 . 1 . 1 38 38 SER H H 1 8.128 0.001 . 1 . . . . . 38 SER H . 52487 1 192 . 1 . 1 38 38 SER HA H 1 3.984 0.000 . 1 . . . . . 38 SER HA . 52487 1 193 . 1 . 1 38 38 SER HB2 H 1 3.836 0.000 . 1 . . . . . 38 SER HB2 . 52487 1 194 . 1 . 1 38 38 SER HB3 H 1 3.836 0.000 . 1 . . . . . 38 SER HB3 . 52487 1 195 . 1 . 1 38 38 SER C C 13 175.445 0.002 . 1 . . . . . 38 SER C . 52487 1 196 . 1 . 1 38 38 SER CA C 13 55.838 0.069 . 1 . . . . . 38 SER CA . 52487 1 197 . 1 . 1 38 38 SER CB C 13 65.744 0.017 . 1 . . . . . 38 SER CB . 52487 1 198 . 1 . 1 38 38 SER N N 15 114.877 0.004 . 1 . . . . . 38 SER N . 52487 1 199 . 1 . 1 39 39 THR H H 1 9.679 0.001 . 1 . . . . . 39 THR H . 52487 1 200 . 1 . 1 39 39 THR HA H 1 4.172 0.000 . 1 . . . . . 39 THR HA . 52487 1 201 . 1 . 1 39 39 THR HB H 1 3.759 0.000 . 1 . . . . . 39 THR HB . 52487 1 202 . 1 . 1 39 39 THR C C 13 176.982 0.000 . 1 . . . . . 39 THR C . 52487 1 203 . 1 . 1 39 39 THR CA C 13 60.718 0.000 . 1 . . . . . 39 THR CA . 52487 1 204 . 1 . 1 39 39 THR CB C 13 66.893 0.000 . 1 . . . . . 39 THR CB . 52487 1 205 . 1 . 1 39 39 THR N N 15 119.013 0.015 . 1 . . . . . 39 THR N . 52487 1 206 . 1 . 1 40 40 GLY H H 1 8.635 0.001 . 1 . . . . . 40 GLY H . 52487 1 207 . 1 . 1 40 40 GLY HA2 H 1 3.948 0.000 . 2 . . . . . 40 GLY HA2 . 52487 1 208 . 1 . 1 40 40 GLY HA3 H 1 3.826 0.000 . 2 . . . . . 40 GLY HA3 . 52487 1 209 . 1 . 1 40 40 GLY C C 13 176.534 0.007 . 1 . . . . . 40 GLY C . 52487 1 210 . 1 . 1 40 40 GLY CA C 13 47.720 0.009 . 1 . . . . . 40 GLY CA . 52487 1 211 . 1 . 1 40 40 GLY N N 15 109.558 0.014 . 1 . . . . . 40 GLY N . 52487 1 212 . 1 . 1 41 41 ASP H H 1 7.414 0.001 . 1 . . . . . 41 ASP H . 52487 1 213 . 1 . 1 41 41 ASP C C 13 178.942 0.000 . 1 . . . . . 41 ASP C . 52487 1 214 . 1 . 1 41 41 ASP CA C 13 56.851 0.000 . 1 . . . . . 41 ASP CA . 52487 1 215 . 1 . 1 41 41 ASP CB C 13 40.748 0.000 . 1 . . . . . 41 ASP CB . 52487 1 216 . 1 . 1 41 41 ASP N N 15 121.807 0.003 . 1 . . . . . 41 ASP N . 52487 1 217 . 1 . 1 42 42 LEU H H 1 8.528 0.000 . 1 . . . . . 42 LEU H . 52487 1 218 . 1 . 1 42 42 LEU C C 13 179.385 0.000 . 1 . . . . . 42 LEU C . 52487 1 219 . 1 . 1 42 42 LEU CA C 13 57.727 0.000 . 1 . . . . . 42 LEU CA . 52487 1 220 . 1 . 1 42 42 LEU CB C 13 41.716 0.023 . 1 . . . . . 42 LEU CB . 52487 1 221 . 1 . 1 42 42 LEU N N 15 121.276 0.002 . 1 . . . . . 42 LEU N . 52487 1 222 . 1 . 1 43 43 LEU H H 1 8.192 0.001 . 1 . . . . . 43 LEU H . 52487 1 223 . 1 . 1 43 43 LEU HA H 1 3.911 0.000 . 1 . . . . . 43 LEU HA . 52487 1 224 . 1 . 1 43 43 LEU HB2 H 1 1.660 0.000 . 2 . . . . . 43 LEU HB2 . 52487 1 225 . 1 . 1 43 43 LEU HB3 H 1 1.847 0.000 . 2 . . . . . 43 LEU HB3 . 52487 1 226 . 1 . 1 43 43 LEU C C 13 178.072 0.002 . 1 . . . . . 43 LEU C . 52487 1 227 . 1 . 1 43 43 LEU CA C 13 58.708 0.040 . 1 . . . . . 43 LEU CA . 52487 1 228 . 1 . 1 43 43 LEU CB C 13 41.751 0.015 . 1 . . . . . 43 LEU CB . 52487 1 229 . 1 . 1 43 43 LEU N N 15 120.086 0.003 . 1 . . . . . 43 LEU N . 52487 1 230 . 1 . 1 44 44 ARG H H 1 7.702 0.001 . 1 . . . . . 44 ARG H . 52487 1 231 . 1 . 1 44 44 ARG HA H 1 3.948 0.000 . 1 . . . . . 44 ARG HA . 52487 1 232 . 1 . 1 44 44 ARG HB2 H 1 1.960 0.000 . 1 . . . . . 44 ARG HB2 . 52487 1 233 . 1 . 1 44 44 ARG HB3 H 1 1.960 0.000 . 1 . . . . . 44 ARG HB3 . 52487 1 234 . 1 . 1 44 44 ARG C C 13 179.650 0.021 . 1 . . . . . 44 ARG C . 52487 1 235 . 1 . 1 44 44 ARG CA C 13 59.733 0.008 . 1 . . . . . 44 ARG CA . 52487 1 236 . 1 . 1 44 44 ARG CB C 13 29.782 0.015 . 1 . . . . . 44 ARG CB . 52487 1 237 . 1 . 1 44 44 ARG N N 15 117.748 0.011 . 1 . . . . . 44 ARG N . 52487 1 238 . 1 . 1 45 45 SER H H 1 8.357 0.001 . 1 . . . . . 45 SER H . 52487 1 239 . 1 . 1 45 45 SER C C 13 176.957 0.000 . 1 . . . . . 45 SER C . 52487 1 240 . 1 . 1 45 45 SER CA C 13 61.724 0.003 . 1 . . . . . 45 SER CA . 52487 1 241 . 1 . 1 45 45 SER CB C 13 62.720 0.013 . 1 . . . . . 45 SER CB . 52487 1 242 . 1 . 1 45 45 SER N N 15 115.216 0.007 . 1 . . . . . 45 SER N . 52487 1 243 . 1 . 1 46 46 GLU H H 1 8.318 0.002 . 1 . . . . . 46 GLU H . 52487 1 244 . 1 . 1 46 46 GLU C C 13 180.915 0.002 . 1 . . . . . 46 GLU C . 52487 1 245 . 1 . 1 46 46 GLU CA C 13 59.727 0.018 . 1 . . . . . 46 GLU CA . 52487 1 246 . 1 . 1 46 46 GLU CB C 13 29.766 0.010 . 1 . . . . . 46 GLU CB . 52487 1 247 . 1 . 1 46 46 GLU N N 15 123.506 0.012 . 1 . . . . . 46 GLU N . 52487 1 248 . 1 . 1 47 47 VAL H H 1 8.353 0.002 . 1 . . . . . 47 VAL H . 52487 1 249 . 1 . 1 47 47 VAL C C 13 178.946 0.003 . 1 . . . . . 47 VAL C . 52487 1 250 . 1 . 1 47 47 VAL CA C 13 66.742 0.005 . 1 . . . . . 47 VAL CA . 52487 1 251 . 1 . 1 47 47 VAL CB C 13 31.763 0.010 . 1 . . . . . 47 VAL CB . 52487 1 252 . 1 . 1 47 47 VAL N N 15 119.154 0.033 . 1 . . . . . 47 VAL N . 52487 1 253 . 1 . 1 48 48 SER H H 1 8.059 0.001 . 1 . . . . . 48 SER H . 52487 1 254 . 1 . 1 48 48 SER HB2 H 1 3.986 0.000 . 1 . . . . . 48 SER HB2 . 52487 1 255 . 1 . 1 48 48 SER HB3 H 1 3.986 0.000 . 1 . . . . . 48 SER HB3 . 52487 1 256 . 1 . 1 48 48 SER C C 13 175.454 0.000 . 1 . . . . . 48 SER C . 52487 1 257 . 1 . 1 48 48 SER CA C 13 60.723 0.003 . 1 . . . . . 48 SER CA . 52487 1 258 . 1 . 1 48 48 SER CB C 13 63.653 0.026 . 1 . . . . . 48 SER CB . 52487 1 259 . 1 . 1 48 48 SER N N 15 114.809 0.005 . 1 . . . . . 48 SER N . 52487 1 260 . 1 . 1 49 49 SER H H 1 7.822 0.001 . 1 . . . . . 49 SER H . 52487 1 261 . 1 . 1 49 49 SER HA H 1 4.287 0.000 . 1 . . . . . 49 SER HA . 52487 1 262 . 1 . 1 49 49 SER C C 13 176.105 0.001 . 1 . . . . . 49 SER C . 52487 1 263 . 1 . 1 49 49 SER CA C 13 60.726 0.007 . 1 . . . . . 49 SER CA . 52487 1 264 . 1 . 1 49 49 SER CB C 13 64.737 0.005 . 1 . . . . . 49 SER CB . 52487 1 265 . 1 . 1 49 49 SER N N 15 116.228 0.003 . 1 . . . . . 49 SER N . 52487 1 266 . 1 . 1 50 50 GLY H H 1 7.815 0.002 . 1 . . . . . 50 GLY H . 52487 1 267 . 1 . 1 50 50 GLY HA2 H 1 3.880 0.000 . 2 . . . . . 50 GLY HA2 . 52487 1 268 . 1 . 1 50 50 GLY HA3 H 1 4.136 0.000 . 2 . . . . . 50 GLY HA3 . 52487 1 269 . 1 . 1 50 50 GLY C C 13 174.235 0.006 . 1 . . . . . 50 GLY C . 52487 1 270 . 1 . 1 50 50 GLY CA C 13 45.791 0.014 . 1 . . . . . 50 GLY CA . 52487 1 271 . 1 . 1 50 50 GLY N N 15 109.509 0.131 . 1 . . . . . 50 GLY N . 52487 1 272 . 1 . 1 51 51 SER H H 1 8.059 0.002 . 1 . . . . . 51 SER H . 52487 1 273 . 1 . 1 51 51 SER HA H 1 4.361 0.000 . 1 . . . . . 51 SER HA . 52487 1 274 . 1 . 1 51 51 SER HB2 H 1 4.099 0.000 . 1 . . . . . 51 SER HB2 . 52487 1 275 . 1 . 1 51 51 SER HB3 H 1 4.099 0.000 . 1 . . . . . 51 SER HB3 . 52487 1 276 . 1 . 1 51 51 SER C C 13 174.121 0.012 . 1 . . . . . 51 SER C . 52487 1 277 . 1 . 1 51 51 SER CA C 13 57.718 0.019 . 1 . . . . . 51 SER CA . 52487 1 278 . 1 . 1 51 51 SER CB C 13 64.730 0.005 . 1 . . . . . 51 SER CB . 52487 1 279 . 1 . 1 51 51 SER N N 15 115.812 0.006 . 1 . . . . . 51 SER N . 52487 1 280 . 1 . 1 52 52 ALA H H 1 8.937 0.002 . 1 . . . . . 52 ALA H . 52487 1 281 . 1 . 1 52 52 ALA HA H 1 4.099 0.000 . 1 . . . . . 52 ALA HA . 52487 1 282 . 1 . 1 52 52 ALA HB1 H 1 1.472 0.000 . 1 . . . . . 52 ALA HB1 . 52487 1 283 . 1 . 1 52 52 ALA HB2 H 1 1.472 0.000 . 1 . . . . . 52 ALA HB2 . 52487 1 284 . 1 . 1 52 52 ALA HB3 H 1 1.472 0.000 . 1 . . . . . 52 ALA HB3 . 52487 1 285 . 1 . 1 52 52 ALA C C 13 181.125 0.006 . 1 . . . . . 52 ALA C . 52487 1 286 . 1 . 1 52 52 ALA CA C 13 55.751 0.014 . 1 . . . . . 52 ALA CA . 52487 1 287 . 1 . 1 52 52 ALA CB C 13 17.759 0.010 . 1 . . . . . 52 ALA CB . 52487 1 288 . 1 . 1 52 52 ALA N N 15 124.464 0.004 . 1 . . . . . 52 ALA N . 52487 1 289 . 1 . 1 53 53 ARG H H 1 8.583 0.001 . 1 . . . . . 53 ARG H . 52487 1 290 . 1 . 1 53 53 ARG HA H 1 4.059 0.000 . 1 . . . . . 53 ARG HA . 52487 1 291 . 1 . 1 53 53 ARG C C 13 178.189 0.001 . 1 . . . . . 53 ARG C . 52487 1 292 . 1 . 1 53 53 ARG CA C 13 59.730 0.008 . 1 . . . . . 53 ARG CA . 52487 1 293 . 1 . 1 53 53 ARG CB C 13 30.757 0.001 . 1 . . . . . 53 ARG CB . 52487 1 294 . 1 . 1 53 53 ARG N N 15 119.524 0.008 . 1 . . . . . 53 ARG N . 52487 1 295 . 1 . 1 54 54 GLY H H 1 8.765 0.001 . 1 . . . . . 54 GLY H . 52487 1 296 . 1 . 1 54 54 GLY C C 13 175.514 0.031 . 1 . . . . . 54 GLY C . 52487 1 297 . 1 . 1 54 54 GLY CA C 13 47.739 0.008 . 1 . . . . . 54 GLY CA . 52487 1 298 . 1 . 1 54 54 GLY N N 15 109.822 0.016 . 1 . . . . . 54 GLY N . 52487 1 299 . 1 . 1 55 55 LYS H H 1 8.469 0.001 . 1 . . . . . 55 LYS H . 52487 1 300 . 1 . 1 55 55 LYS HA H 1 4.098 0.000 . 1 . . . . . 55 LYS HA . 52487 1 301 . 1 . 1 55 55 LYS HB2 H 1 1.922 0.000 . 1 . . . . . 55 LYS HB2 . 52487 1 302 . 1 . 1 55 55 LYS HB3 H 1 1.922 0.000 . 1 . . . . . 55 LYS HB3 . 52487 1 303 . 1 . 1 55 55 LYS C C 13 179.769 0.020 . 1 . . . . . 55 LYS C . 52487 1 304 . 1 . 1 55 55 LYS CA C 13 59.736 0.007 . 1 . . . . . 55 LYS CA . 52487 1 305 . 1 . 1 55 55 LYS CB C 13 32.739 0.001 . 1 . . . . . 55 LYS CB . 52487 1 306 . 1 . 1 55 55 LYS N N 15 122.366 0.010 . 1 . . . . . 55 LYS N . 52487 1 307 . 1 . 1 56 56 LYS H H 1 7.650 0.001 . 1 . . . . . 56 LYS H . 52487 1 308 . 1 . 1 56 56 LYS C C 13 179.272 0.003 . 1 . . . . . 56 LYS C . 52487 1 309 . 1 . 1 56 56 LYS CA C 13 58.753 0.001 . 1 . . . . . 56 LYS CA . 52487 1 310 . 1 . 1 56 56 LYS CB C 13 31.757 0.002 . 1 . . . . . 56 LYS CB . 52487 1 311 . 1 . 1 56 56 LYS N N 15 120.741 0.004 . 1 . . . . . 56 LYS N . 52487 1 312 . 1 . 1 57 57 LEU H H 1 8.415 0.001 . 1 . . . . . 57 LEU H . 52487 1 313 . 1 . 1 57 57 LEU HA H 1 4.023 0.000 . 1 . . . . . 57 LEU HA . 52487 1 314 . 1 . 1 57 57 LEU C C 13 178.616 0.001 . 1 . . . . . 57 LEU C . 52487 1 315 . 1 . 1 57 57 LEU CA C 13 57.779 0.023 . 1 . . . . . 57 LEU CA . 52487 1 316 . 1 . 1 57 57 LEU CB C 13 41.758 0.001 . 1 . . . . . 57 LEU CB . 52487 1 317 . 1 . 1 57 57 LEU N N 15 118.974 0.001 . 1 . . . . . 57 LEU N . 52487 1 318 . 1 . 1 58 58 SER H H 1 8.444 0.001 . 1 . . . . . 58 SER H . 52487 1 319 . 1 . 1 58 58 SER HA H 1 4.065 0.000 . 1 . . . . . 58 SER HA . 52487 1 320 . 1 . 1 58 58 SER C C 13 176.540 0.000 . 1 . . . . . 58 SER C . 52487 1 321 . 1 . 1 58 58 SER CA C 13 61.769 0.023 . 1 . . . . . 58 SER CA . 52487 1 322 . 1 . 1 58 58 SER CB C 13 62.733 0.004 . 1 . . . . . 58 SER CB . 52487 1 323 . 1 . 1 58 58 SER N N 15 114.327 0.021 . 1 . . . . . 58 SER N . 52487 1 324 . 1 . 1 59 59 GLU H H 1 7.607 0.001 . 1 . . . . . 59 GLU H . 52487 1 325 . 1 . 1 59 59 GLU C C 13 178.512 0.001 . 1 . . . . . 59 GLU C . 52487 1 326 . 1 . 1 59 59 GLU CA C 13 59.729 0.004 . 1 . . . . . 59 GLU CA . 52487 1 327 . 1 . 1 59 59 GLU CB C 13 29.762 0.015 . 1 . . . . . 59 GLU CB . 52487 1 328 . 1 . 1 59 59 GLU N N 15 121.343 0.009 . 1 . . . . . 59 GLU N . 52487 1 329 . 1 . 1 60 60 ILE H H 1 7.777 0.002 . 1 . . . . . 60 ILE H . 52487 1 330 . 1 . 1 60 60 ILE HA H 1 4.247 0.000 . 1 . . . . . 60 ILE HA . 52487 1 331 . 1 . 1 60 60 ILE C C 13 178.837 0.000 . 1 . . . . . 60 ILE C . 52487 1 332 . 1 . 1 60 60 ILE CA C 13 65.611 0.000 . 1 . . . . . 60 ILE CA . 52487 1 333 . 1 . 1 60 60 ILE CB C 13 37.744 0.000 . 1 . . . . . 60 ILE CB . 52487 1 334 . 1 . 1 60 60 ILE N N 15 118.879 0.007 . 1 . . . . . 60 ILE N . 52487 1 335 . 1 . 1 61 61 MET H H 1 8.308 0.001 . 1 . . . . . 61 MET H . 52487 1 336 . 1 . 1 61 61 MET C C 13 180.803 0.002 . 1 . . . . . 61 MET C . 52487 1 337 . 1 . 1 61 61 MET CA C 13 58.846 0.085 . 1 . . . . . 61 MET CA . 52487 1 338 . 1 . 1 61 61 MET CB C 13 32.722 0.022 . 1 . . . . . 61 MET CB . 52487 1 339 . 1 . 1 61 61 MET N N 15 117.616 0.005 . 1 . . . . . 61 MET N . 52487 1 340 . 1 . 1 62 62 GLU H H 1 8.531 0.001 . 1 . . . . . 62 GLU H . 52487 1 341 . 1 . 1 62 62 GLU HA H 1 4.098 0.000 . 1 . . . . . 62 GLU HA . 52487 1 342 . 1 . 1 62 62 GLU HB2 H 1 2.151 0.000 . 2 . . . . . 62 GLU HB2 . 52487 1 343 . 1 . 1 62 62 GLU HB3 H 1 2.220 0.000 . 2 . . . . . 62 GLU HB3 . 52487 1 344 . 1 . 1 62 62 GLU C C 13 178.293 0.002 . 1 . . . . . 62 GLU C . 52487 1 345 . 1 . 1 62 62 GLU CA C 13 58.758 0.013 . 1 . . . . . 62 GLU CA . 52487 1 346 . 1 . 1 62 62 GLU CB C 13 29.734 0.066 . 1 . . . . . 62 GLU CB . 52487 1 347 . 1 . 1 62 62 GLU N N 15 118.928 0.002 . 1 . . . . . 62 GLU N . 52487 1 348 . 1 . 1 63 63 LYS H H 1 7.496 0.001 . 1 . . . . . 63 LYS H . 52487 1 349 . 1 . 1 63 63 LYS HA H 1 4.325 0.000 . 1 . . . . . 63 LYS HA . 52487 1 350 . 1 . 1 63 63 LYS HB2 H 1 2.043 0.000 . 2 . . . . . 63 LYS HB2 . 52487 1 351 . 1 . 1 63 63 LYS HB3 H 1 1.817 0.000 . 2 . . . . . 63 LYS HB3 . 52487 1 352 . 1 . 1 63 63 LYS C C 13 176.977 0.001 . 1 . . . . . 63 LYS C . 52487 1 353 . 1 . 1 63 63 LYS CA C 13 56.726 0.015 . 1 . . . . . 63 LYS CA . 52487 1 354 . 1 . 1 63 63 LYS CB C 13 32.763 0.000 . 1 . . . . . 63 LYS CB . 52487 1 355 . 1 . 1 63 63 LYS N N 15 116.230 0.008 . 1 . . . . . 63 LYS N . 52487 1 356 . 1 . 1 64 64 GLY H H 1 7.975 0.003 . 1 . . . . . 64 GLY H . 52487 1 357 . 1 . 1 64 64 GLY C C 13 174.901 0.001 . 1 . . . . . 64 GLY C . 52487 1 358 . 1 . 1 64 64 GLY CA C 13 45.843 0.024 . 1 . . . . . 64 GLY CA . 52487 1 359 . 1 . 1 64 64 GLY N N 15 108.798 0.167 . 1 . . . . . 64 GLY N . 52487 1 360 . 1 . 1 65 65 GLN H H 1 7.624 0.001 . 1 . . . . . 65 GLN H . 52487 1 361 . 1 . 1 65 65 GLN C C 13 174.352 0.000 . 1 . . . . . 65 GLN C . 52487 1 362 . 1 . 1 65 65 GLN CA C 13 54.750 0.014 . 1 . . . . . 65 GLN CA . 52487 1 363 . 1 . 1 65 65 GLN CB C 13 30.437 0.047 . 1 . . . . . 65 GLN CB . 52487 1 364 . 1 . 1 65 65 GLN N N 15 118.226 0.008 . 1 . . . . . 65 GLN N . 52487 1 365 . 1 . 1 66 66 LEU H H 1 8.078 0.001 . 1 . . . . . 66 LEU H . 52487 1 366 . 1 . 1 66 66 LEU HA H 1 4.135 0.000 . 1 . . . . . 66 LEU HA . 52487 1 367 . 1 . 1 66 66 LEU C C 13 177.197 0.001 . 1 . . . . . 66 LEU C . 52487 1 368 . 1 . 1 66 66 LEU CA C 13 53.803 0.030 . 1 . . . . . 66 LEU CA . 52487 1 369 . 1 . 1 66 66 LEU CB C 13 42.752 0.006 . 1 . . . . . 66 LEU CB . 52487 1 370 . 1 . 1 66 66 LEU N N 15 119.819 0.005 . 1 . . . . . 66 LEU N . 52487 1 371 . 1 . 1 67 67 VAL H H 1 8.400 0.001 . 1 . . . . . 67 VAL H . 52487 1 372 . 1 . 1 67 67 VAL C C 13 174.243 0.000 . 1 . . . . . 67 VAL C . 52487 1 373 . 1 . 1 67 67 VAL CA C 13 60.743 0.000 . 1 . . . . . 67 VAL CA . 52487 1 374 . 1 . 1 67 67 VAL CB C 13 32.137 0.000 . 1 . . . . . 67 VAL CB . 52487 1 375 . 1 . 1 67 67 VAL N N 15 124.894 0.007 . 1 . . . . . 67 VAL N . 52487 1 376 . 1 . 1 68 68 PRO HA H 1 4.360 0.000 . 1 . . . . . 68 PRO HA . 52487 1 377 . 1 . 1 68 68 PRO HB2 H 1 2.013 0.000 . 1 . . . . . 68 PRO HB2 . 52487 1 378 . 1 . 1 68 68 PRO HB3 H 1 2.013 0.000 . 1 . . . . . 68 PRO HB3 . 52487 1 379 . 1 . 1 68 68 PRO C C 13 177.524 0.001 . 1 . . . . . 68 PRO C . 52487 1 380 . 1 . 1 68 68 PRO CA C 13 62.757 0.007 . 1 . . . . . 68 PRO CA . 52487 1 381 . 1 . 1 68 68 PRO CB C 13 32.748 0.001 . 1 . . . . . 68 PRO CB . 52487 1 382 . 1 . 1 69 69 LEU H H 1 8.684 0.001 . 1 . . . . . 69 LEU H . 52487 1 383 . 1 . 1 69 69 LEU HA H 1 4.097 0.000 . 1 . . . . . 69 LEU HA . 52487 1 384 . 1 . 1 69 69 LEU HB2 H 1 1.771 0.000 . 1 . . . . . 69 LEU HB2 . 52487 1 385 . 1 . 1 69 69 LEU HB3 H 1 1.771 0.000 . 1 . . . . . 69 LEU HB3 . 52487 1 386 . 1 . 1 69 69 LEU C C 13 178.508 0.002 . 1 . . . . . 69 LEU C . 52487 1 387 . 1 . 1 69 69 LEU CA C 13 57.742 0.015 . 1 . . . . . 69 LEU CA . 52487 1 388 . 1 . 1 69 69 LEU CB C 13 41.704 0.062 . 1 . . . . . 69 LEU CB . 52487 1 389 . 1 . 1 69 69 LEU N N 15 127.017 0.009 . 1 . . . . . 69 LEU N . 52487 1 390 . 1 . 1 70 70 GLU H H 1 9.263 0.002 . 1 . . . . . 70 GLU H . 52487 1 391 . 1 . 1 70 70 GLU HA H 1 3.830 0.000 . 1 . . . . . 70 GLU HA . 52487 1 392 . 1 . 1 70 70 GLU HB2 H 1 2.033 0.000 . 2 . . . . . 70 GLU HB2 . 52487 1 393 . 1 . 1 70 70 GLU HB3 H 1 1.959 0.000 . 2 . . . . . 70 GLU HB3 . 52487 1 394 . 1 . 1 70 70 GLU C C 13 177.743 0.002 . 1 . . . . . 70 GLU C . 52487 1 395 . 1 . 1 70 70 GLU CA C 13 59.755 0.014 . 1 . . . . . 70 GLU CA . 52487 1 396 . 1 . 1 70 70 GLU CB C 13 28.761 0.006 . 1 . . . . . 70 GLU CB . 52487 1 397 . 1 . 1 70 70 GLU CG C 13 35.712 0.000 . 1 . . . . . 70 GLU CG . 52487 1 398 . 1 . 1 70 70 GLU N N 15 116.302 0.014 . 1 . . . . . 70 GLU N . 52487 1 399 . 1 . 1 71 71 THR H H 1 7.088 0.002 . 1 . . . . . 71 THR H . 52487 1 400 . 1 . 1 71 71 THR HA H 1 4.060 0.000 . 1 . . . . . 71 THR HA . 52487 1 401 . 1 . 1 71 71 THR C C 13 175.945 0.041 . 1 . . . . . 71 THR C . 52487 1 402 . 1 . 1 71 71 THR CA C 13 65.745 0.012 . 1 . . . . . 71 THR CA . 52487 1 403 . 1 . 1 71 71 THR CB C 13 68.724 0.013 . 1 . . . . . 71 THR CB . 52487 1 404 . 1 . 1 71 71 THR CG2 C 13 22.545 0.000 . 1 . . . . . 71 THR CG2 . 52487 1 405 . 1 . 1 71 71 THR N N 15 114.674 0.010 . 1 . . . . . 71 THR N . 52487 1 406 . 1 . 1 72 72 VAL H H 1 7.505 0.001 . 1 . . . . . 72 VAL H . 52487 1 407 . 1 . 1 72 72 VAL HA H 1 3.497 0.000 . 1 . . . . . 72 VAL HA . 52487 1 408 . 1 . 1 72 72 VAL HB H 1 2.296 0.000 . 1 . . . . . 72 VAL HB . 52487 1 409 . 1 . 1 72 72 VAL C C 13 178.072 0.003 . 1 . . . . . 72 VAL C . 52487 1 410 . 1 . 1 72 72 VAL CA C 13 67.696 0.036 . 1 . . . . . 72 VAL CA . 52487 1 411 . 1 . 1 72 72 VAL CB C 13 31.753 0.003 . 1 . . . . . 72 VAL CB . 52487 1 412 . 1 . 1 72 72 VAL N N 15 122.469 0.005 . 1 . . . . . 72 VAL N . 52487 1 413 . 1 . 1 73 73 LEU H H 1 8.509 0.001 . 1 . . . . . 73 LEU H . 52487 1 414 . 1 . 1 73 73 LEU C C 13 178.673 0.051 . 1 . . . . . 73 LEU C . 52487 1 415 . 1 . 1 73 73 LEU CA C 13 57.742 0.000 . 1 . . . . . 73 LEU CA . 52487 1 416 . 1 . 1 73 73 LEU CB C 13 41.115 0.089 . 1 . . . . . 73 LEU CB . 52487 1 417 . 1 . 1 73 73 LEU N N 15 118.107 0.003 . 1 . . . . . 73 LEU N . 52487 1 418 . 1 . 1 74 74 ASP H H 1 8.133 0.001 . 1 . . . . . 74 ASP H . 52487 1 419 . 1 . 1 74 74 ASP HA H 1 4.185 0.000 . 1 . . . . . 74 ASP HA . 52487 1 420 . 1 . 1 74 74 ASP HB2 H 1 2.643 0.000 . 2 . . . . . 74 ASP HB2 . 52487 1 421 . 1 . 1 74 74 ASP HB3 H 1 2.928 0.000 . 2 . . . . . 74 ASP HB3 . 52487 1 422 . 1 . 1 74 74 ASP C C 13 178.070 0.001 . 1 . . . . . 74 ASP C . 52487 1 423 . 1 . 1 74 74 ASP CA C 13 57.740 0.013 . 1 . . . . . 74 ASP CA . 52487 1 424 . 1 . 1 74 74 ASP CB C 13 39.762 0.021 . 1 . . . . . 74 ASP CB . 52487 1 425 . 1 . 1 74 74 ASP N N 15 121.386 0.010 . 1 . . . . . 74 ASP N . 52487 1 426 . 1 . 1 75 75 MET H H 1 7.866 0.001 . 1 . . . . . 75 MET H . 52487 1 427 . 1 . 1 75 75 MET C C 13 179.604 0.001 . 1 . . . . . 75 MET C . 52487 1 428 . 1 . 1 75 75 MET CA C 13 59.739 0.004 . 1 . . . . . 75 MET CA . 52487 1 429 . 1 . 1 75 75 MET CB C 13 33.707 0.045 . 1 . . . . . 75 MET CB . 52487 1 430 . 1 . 1 75 75 MET N N 15 117.679 0.003 . 1 . . . . . 75 MET N . 52487 1 431 . 1 . 1 76 76 LEU H H 1 8.368 0.000 . 1 . . . . . 76 LEU H . 52487 1 432 . 1 . 1 76 76 LEU HA H 1 3.760 0.000 . 1 . . . . . 76 LEU HA . 52487 1 433 . 1 . 1 76 76 LEU HB2 H 1 1.247 0.000 . 2 . . . . . 76 LEU HB2 . 52487 1 434 . 1 . 1 76 76 LEU HB3 H 1 1.723 0.000 . 2 . . . . . 76 LEU HB3 . 52487 1 435 . 1 . 1 76 76 LEU C C 13 177.195 0.001 . 1 . . . . . 76 LEU C . 52487 1 436 . 1 . 1 76 76 LEU CA C 13 57.844 0.000 . 1 . . . . . 76 LEU CA . 52487 1 437 . 1 . 1 76 76 LEU CB C 13 42.758 0.007 . 1 . . . . . 76 LEU CB . 52487 1 438 . 1 . 1 76 76 LEU N N 15 121.776 0.002 . 1 . . . . . 76 LEU N . 52487 1 439 . 1 . 1 77 77 ARG H H 1 8.644 0.001 . 1 . . . . . 77 ARG H . 52487 1 440 . 1 . 1 77 77 ARG C C 13 178.181 0.002 . 1 . . . . . 77 ARG C . 52487 1 441 . 1 . 1 77 77 ARG CA C 13 60.708 0.023 . 1 . . . . . 77 ARG CA . 52487 1 442 . 1 . 1 77 77 ARG CB C 13 28.758 0.007 . 1 . . . . . 77 ARG CB . 52487 1 443 . 1 . 1 77 77 ARG N N 15 119.690 0.010 . 1 . . . . . 77 ARG N . 52487 1 444 . 1 . 1 78 78 ASP H H 1 8.430 0.004 . 1 . . . . . 78 ASP H . 52487 1 445 . 1 . 1 78 78 ASP HA H 1 4.211 0.000 . 1 . . . . . 78 ASP HA . 52487 1 446 . 1 . 1 78 78 ASP C C 13 178.951 0.005 . 1 . . . . . 78 ASP C . 52487 1 447 . 1 . 1 78 78 ASP CA C 13 57.744 0.005 . 1 . . . . . 78 ASP CA . 52487 1 448 . 1 . 1 78 78 ASP CB C 13 39.759 0.020 . 1 . . . . . 78 ASP CB . 52487 1 449 . 1 . 1 78 78 ASP N N 15 118.661 0.002 . 1 . . . . . 78 ASP N . 52487 1 450 . 1 . 1 79 79 ALA H H 1 7.813 0.001 . 1 . . . . . 79 ALA H . 52487 1 451 . 1 . 1 79 79 ALA HA H 1 4.135 0.000 . 1 . . . . . 79 ALA HA . 52487 1 452 . 1 . 1 79 79 ALA HB1 H 1 1.472 0.000 . 1 . . . . . 79 ALA HB1 . 52487 1 453 . 1 . 1 79 79 ALA HB2 H 1 1.472 0.000 . 1 . . . . . 79 ALA HB2 . 52487 1 454 . 1 . 1 79 79 ALA HB3 H 1 1.472 0.000 . 1 . . . . . 79 ALA HB3 . 52487 1 455 . 1 . 1 79 79 ALA C C 13 179.714 0.001 . 1 . . . . . 79 ALA C . 52487 1 456 . 1 . 1 79 79 ALA CA C 13 54.754 0.011 . 1 . . . . . 79 ALA CA . 52487 1 457 . 1 . 1 79 79 ALA CB C 13 18.795 0.021 . 1 . . . . . 79 ALA CB . 52487 1 458 . 1 . 1 79 79 ALA N N 15 122.378 0.002 . 1 . . . . . 79 ALA N . 52487 1 459 . 1 . 1 80 80 MET H H 1 7.875 0.001 . 1 . . . . . 80 MET H . 52487 1 460 . 1 . 1 80 80 MET HA H 1 3.579 0.000 . 1 . . . . . 80 MET HA . 52487 1 461 . 1 . 1 80 80 MET C C 13 178.401 0.001 . 1 . . . . . 80 MET C . 52487 1 462 . 1 . 1 80 80 MET CA C 13 58.746 0.004 . 1 . . . . . 80 MET CA . 52487 1 463 . 1 . 1 80 80 MET CB C 13 34.744 0.006 . 1 . . . . . 80 MET CB . 52487 1 464 . 1 . 1 80 80 MET CG C 13 32.427 0.000 . 1 . . . . . 80 MET CG . 52487 1 465 . 1 . 1 80 80 MET N N 15 115.872 0.007 . 1 . . . . . 80 MET N . 52487 1 466 . 1 . 1 81 81 VAL H H 1 8.702 0.003 . 1 . . . . . 81 VAL H . 52487 1 467 . 1 . 1 81 81 VAL C C 13 178.183 0.001 . 1 . . . . . 81 VAL C . 52487 1 468 . 1 . 1 81 81 VAL CA C 13 66.739 0.004 . 1 . . . . . 81 VAL CA . 52487 1 469 . 1 . 1 81 81 VAL CB C 13 31.758 0.007 . 1 . . . . . 81 VAL CB . 52487 1 470 . 1 . 1 81 81 VAL N N 15 117.939 0.031 . 1 . . . . . 81 VAL N . 52487 1 471 . 1 . 1 82 82 ALA H H 1 7.604 0.000 . 1 . . . . . 82 ALA H . 52487 1 472 . 1 . 1 82 82 ALA C C 13 179.425 0.011 . 1 . . . . . 82 ALA C . 52487 1 473 . 1 . 1 82 82 ALA CA C 13 54.763 0.026 . 1 . . . . . 82 ALA CA . 52487 1 474 . 1 . 1 82 82 ALA CB C 13 18.765 0.003 . 1 . . . . . 82 ALA CB . 52487 1 475 . 1 . 1 82 82 ALA N N 15 119.326 0.004 . 1 . . . . . 82 ALA N . 52487 1 476 . 1 . 1 83 83 LYS H H 1 7.292 0.003 . 1 . . . . . 83 LYS H . 52487 1 477 . 1 . 1 83 83 LYS HA H 1 4.733 0.000 . 1 . . . . . 83 LYS HA . 52487 1 478 . 1 . 1 83 83 LYS C C 13 178.179 0.001 . 1 . . . . . 83 LYS C . 52487 1 479 . 1 . 1 83 83 LYS CA C 13 55.673 0.039 . 1 . . . . . 83 LYS CA . 52487 1 480 . 1 . 1 83 83 LYS CB C 13 34.753 0.023 . 1 . . . . . 83 LYS CB . 52487 1 481 . 1 . 1 83 83 LYS CG C 13 25.869 0.000 . 1 . . . . . 83 LYS CG . 52487 1 482 . 1 . 1 83 83 LYS CD C 13 29.167 0.000 . 1 . . . . . 83 LYS CD . 52487 1 483 . 1 . 1 83 83 LYS N N 15 114.173 0.013 . 1 . . . . . 83 LYS N . 52487 1 484 . 1 . 1 84 84 VAL H H 1 7.855 0.003 . 1 . . . . . 84 VAL H . 52487 1 485 . 1 . 1 84 84 VAL HA H 1 4.060 0.000 . 1 . . . . . 84 VAL HA . 52487 1 486 . 1 . 1 84 84 VAL HB H 1 2.410 0.000 . 1 . . . . . 84 VAL HB . 52487 1 487 . 1 . 1 84 84 VAL C C 13 175.223 0.002 . 1 . . . . . 84 VAL C . 52487 1 488 . 1 . 1 84 84 VAL CA C 13 65.728 0.004 . 1 . . . . . 84 VAL CA . 52487 1 489 . 1 . 1 84 84 VAL CB C 13 31.751 0.015 . 1 . . . . . 84 VAL CB . 52487 1 490 . 1 . 1 84 84 VAL CG1 C 13 22.565 0.000 . 2 . . . . . 84 VAL CG1 . 52487 1 491 . 1 . 1 84 84 VAL CG2 C 13 19.276 0.000 . 2 . . . . . 84 VAL CG2 . 52487 1 492 . 1 . 1 84 84 VAL N N 15 122.669 0.013 . 1 . . . . . 84 VAL N . 52487 1 493 . 1 . 1 85 85 ASN H H 1 8.582 0.001 . 1 . . . . . 85 ASN H . 52487 1 494 . 1 . 1 85 85 ASN HA H 1 4.773 0.000 . 1 . . . . . 85 ASN HA . 52487 1 495 . 1 . 1 85 85 ASN HB2 H 1 2.933 0.000 . 2 . . . . . 85 ASN HB2 . 52487 1 496 . 1 . 1 85 85 ASN HB3 H 1 2.862 0.000 . 2 . . . . . 85 ASN HB3 . 52487 1 497 . 1 . 1 85 85 ASN C C 13 176.212 0.001 . 1 . . . . . 85 ASN C . 52487 1 498 . 1 . 1 85 85 ASN CA C 13 54.737 0.023 . 1 . . . . . 85 ASN CA . 52487 1 499 . 1 . 1 85 85 ASN CB C 13 38.736 0.010 . 1 . . . . . 85 ASN CB . 52487 1 500 . 1 . 1 85 85 ASN N N 15 116.531 0.002 . 1 . . . . . 85 ASN N . 52487 1 501 . 1 . 1 86 86 THR H H 1 7.663 0.001 . 1 . . . . . 86 THR H . 52487 1 502 . 1 . 1 86 86 THR HA H 1 4.584 0.000 . 1 . . . . . 86 THR HA . 52487 1 503 . 1 . 1 86 86 THR HB H 1 4.434 0.000 . 1 . . . . . 86 THR HB . 52487 1 504 . 1 . 1 86 86 THR C C 13 174.022 0.004 . 1 . . . . . 86 THR C . 52487 1 505 . 1 . 1 86 86 THR CA C 13 61.186 0.086 . 1 . . . . . 86 THR CA . 52487 1 506 . 1 . 1 86 86 THR CB C 13 69.738 0.008 . 1 . . . . . 86 THR CB . 52487 1 507 . 1 . 1 86 86 THR CG2 C 13 21.482 0.000 . 1 . . . . . 86 THR CG2 . 52487 1 508 . 1 . 1 86 86 THR N N 15 107.791 0.030 . 1 . . . . . 86 THR N . 52487 1 509 . 1 . 1 87 87 SER H H 1 7.654 0.001 . 1 . . . . . 87 SER H . 52487 1 510 . 1 . 1 87 87 SER HA H 1 4.627 0.000 . 1 . . . . . 87 SER HA . 52487 1 511 . 1 . 1 87 87 SER HB2 H 1 3.573 0.000 . 2 . . . . . 87 SER HB2 . 52487 1 512 . 1 . 1 87 87 SER HB3 H 1 3.313 0.000 . 2 . . . . . 87 SER HB3 . 52487 1 513 . 1 . 1 87 87 SER C C 13 174.815 0.026 . 1 . . . . . 87 SER C . 52487 1 514 . 1 . 1 87 87 SER CA C 13 57.692 0.070 . 1 . . . . . 87 SER CA . 52487 1 515 . 1 . 1 87 87 SER CB C 13 64.737 0.005 . 1 . . . . . 87 SER CB . 52487 1 516 . 1 . 1 87 87 SER N N 15 116.150 0.005 . 1 . . . . . 87 SER N . 52487 1 517 . 1 . 1 88 88 LYS H H 1 8.152 0.001 . 1 . . . . . 88 LYS H . 52487 1 518 . 1 . 1 88 88 LYS HA H 1 4.358 0.000 . 1 . . . . . 88 LYS HA . 52487 1 519 . 1 . 1 88 88 LYS HB2 H 1 1.975 0.000 . 2 . . . . . 88 LYS HB2 . 52487 1 520 . 1 . 1 88 88 LYS HB3 H 1 1.669 0.000 . 2 . . . . . 88 LYS HB3 . 52487 1 521 . 1 . 1 88 88 LYS C C 13 175.667 0.004 . 1 . . . . . 88 LYS C . 52487 1 522 . 1 . 1 88 88 LYS CA C 13 55.749 0.000 . 1 . . . . . 88 LYS CA . 52487 1 523 . 1 . 1 88 88 LYS CB C 13 32.487 0.217 . 1 . . . . . 88 LYS CB . 52487 1 524 . 1 . 1 88 88 LYS N N 15 122.948 0.007 . 1 . . . . . 88 LYS N . 52487 1 525 . 1 . 1 89 89 GLY H H 1 7.551 0.001 . 1 . . . . . 89 GLY H . 52487 1 526 . 1 . 1 89 89 GLY HA2 H 1 3.235 0.000 . 2 . . . . . 89 GLY HA2 . 52487 1 527 . 1 . 1 89 89 GLY HA3 H 1 3.720 0.000 . 2 . . . . . 89 GLY HA3 . 52487 1 528 . 1 . 1 89 89 GLY C C 13 170.743 0.000 . 1 . . . . . 89 GLY C . 52487 1 529 . 1 . 1 89 89 GLY CA C 13 44.748 0.006 . 1 . . . . . 89 GLY CA . 52487 1 530 . 1 . 1 89 89 GLY N N 15 106.497 0.023 . 1 . . . . . 89 GLY N . 52487 1 531 . 1 . 1 90 90 PHE H H 1 8.724 0.001 . 1 . . . . . 90 PHE H . 52487 1 532 . 1 . 1 90 90 PHE HA H 1 5.192 0.000 . 1 . . . . . 90 PHE HA . 52487 1 533 . 1 . 1 90 90 PHE HB2 H 1 2.862 0.000 . 1 . . . . . 90 PHE HB2 . 52487 1 534 . 1 . 1 90 90 PHE HB3 H 1 2.862 0.000 . 1 . . . . . 90 PHE HB3 . 52487 1 535 . 1 . 1 90 90 PHE C C 13 173.259 0.002 . 1 . . . . . 90 PHE C . 52487 1 536 . 1 . 1 90 90 PHE CA C 13 57.743 0.010 . 1 . . . . . 90 PHE CA . 52487 1 537 . 1 . 1 90 90 PHE CB C 13 43.774 0.052 . 1 . . . . . 90 PHE CB . 52487 1 538 . 1 . 1 90 90 PHE N N 15 116.695 0.012 . 1 . . . . . 90 PHE N . 52487 1 539 . 1 . 1 91 91 LEU H H 1 9.122 0.001 . 1 . . . . . 91 LEU H . 52487 1 540 . 1 . 1 91 91 LEU C C 13 174.673 0.003 . 1 . . . . . 91 LEU C . 52487 1 541 . 1 . 1 91 91 LEU CA C 13 52.740 0.001 . 1 . . . . . 91 LEU CA . 52487 1 542 . 1 . 1 91 91 LEU CB C 13 44.673 0.073 . 1 . . . . . 91 LEU CB . 52487 1 543 . 1 . 1 91 91 LEU N N 15 123.416 0.007 . 1 . . . . . 91 LEU N . 52487 1 544 . 1 . 1 92 92 ILE H H 1 9.462 0.002 . 1 . . . . . 92 ILE H . 52487 1 545 . 1 . 1 92 92 ILE C C 13 174.408 0.004 . 1 . . . . . 92 ILE C . 52487 1 546 . 1 . 1 92 92 ILE CA C 13 59.842 0.075 . 1 . . . . . 92 ILE CA . 52487 1 547 . 1 . 1 92 92 ILE CB C 13 35.738 0.000 . 1 . . . . . 92 ILE CB . 52487 1 548 . 1 . 1 92 92 ILE CG1 C 13 26.940 0.000 . 1 . . . . . 92 ILE CG1 . 52487 1 549 . 1 . 1 92 92 ILE CG2 C 13 18.183 0.000 . 1 . . . . . 92 ILE CG2 . 52487 1 550 . 1 . 1 92 92 ILE N N 15 125.518 0.016 . 1 . . . . . 92 ILE N . 52487 1 551 . 1 . 1 93 93 ASP H H 1 8.670 0.001 . 1 . . . . . 93 ASP H . 52487 1 552 . 1 . 1 93 93 ASP C C 13 177.200 0.000 . 1 . . . . . 93 ASP C . 52487 1 553 . 1 . 1 93 93 ASP CA C 13 53.738 0.002 . 1 . . . . . 93 ASP CA . 52487 1 554 . 1 . 1 93 93 ASP CB C 13 42.748 0.008 . 1 . . . . . 93 ASP CB . 52487 1 555 . 1 . 1 93 93 ASP N N 15 126.153 0.007 . 1 . . . . . 93 ASP N . 52487 1 556 . 1 . 1 94 94 GLY H H 1 9.736 0.002 . 1 . . . . . 94 GLY H . 52487 1 557 . 1 . 1 94 94 GLY HA2 H 1 4.285 0.000 . 2 . . . . . 94 GLY HA2 . 52487 1 558 . 1 . 1 94 94 GLY HA3 H 1 3.985 0.000 . 2 . . . . . 94 GLY HA3 . 52487 1 559 . 1 . 1 94 94 GLY C C 13 172.493 0.001 . 1 . . . . . 94 GLY C . 52487 1 560 . 1 . 1 94 94 GLY CA C 13 46.080 0.152 . 1 . . . . . 94 GLY CA . 52487 1 561 . 1 . 1 94 94 GLY N N 15 116.550 0.012 . 1 . . . . . 94 GLY N . 52487 1 562 . 1 . 1 95 95 TYR H H 1 7.371 0.002 . 1 . . . . . 95 TYR H . 52487 1 563 . 1 . 1 95 95 TYR C C 13 170.088 0.000 . 1 . . . . . 95 TYR C . 52487 1 564 . 1 . 1 95 95 TYR CA C 13 54.750 0.000 . 1 . . . . . 95 TYR CA . 52487 1 565 . 1 . 1 95 95 TYR CB C 13 43.760 0.000 . 1 . . . . . 95 TYR CB . 52487 1 566 . 1 . 1 95 95 TYR N N 15 123.241 0.005 . 1 . . . . . 95 TYR N . 52487 1 567 . 1 . 1 97 97 ARG C C 13 175.448 0.000 . 1 . . . . . 97 ARG C . 52487 1 568 . 1 . 1 97 97 ARG CA C 13 55.741 0.000 . 1 . . . . . 97 ARG CA . 52487 1 569 . 1 . 1 97 97 ARG CB C 13 30.799 0.000 . 1 . . . . . 97 ARG CB . 52487 1 570 . 1 . 1 97 97 ARG CG C 13 28.050 0.000 . 1 . . . . . 97 ARG CG . 52487 1 571 . 1 . 1 97 97 ARG CD C 13 43.364 0.000 . 1 . . . . . 97 ARG CD . 52487 1 572 . 1 . 1 98 98 GLU H H 1 6.825 0.001 . 1 . . . . . 98 GLU H . 52487 1 573 . 1 . 1 98 98 GLU HA H 1 4.515 0.000 . 1 . . . . . 98 GLU HA . 52487 1 574 . 1 . 1 98 98 GLU C C 13 177.172 0.042 . 1 . . . . . 98 GLU C . 52487 1 575 . 1 . 1 98 98 GLU CA C 13 53.754 0.004 . 1 . . . . . 98 GLU CA . 52487 1 576 . 1 . 1 98 98 GLU CB C 13 33.756 0.011 . 1 . . . . . 98 GLU CB . 52487 1 577 . 1 . 1 98 98 GLU CG C 13 35.723 0.000 . 1 . . . . . 98 GLU CG . 52487 1 578 . 1 . 1 98 98 GLU N N 15 116.165 0.008 . 1 . . . . . 98 GLU N . 52487 1 579 . 1 . 1 99 99 VAL H H 1 9.389 0.001 . 1 . . . . . 99 VAL H . 52487 1 580 . 1 . 1 99 99 VAL C C 13 178.179 0.000 . 1 . . . . . 99 VAL C . 52487 1 581 . 1 . 1 99 99 VAL CA C 13 67.781 0.042 . 1 . . . . . 99 VAL CA . 52487 1 582 . 1 . 1 99 99 VAL CB C 13 31.441 0.000 . 1 . . . . . 99 VAL CB . 52487 1 583 . 1 . 1 99 99 VAL N N 15 125.976 0.028 . 1 . . . . . 99 VAL N . 52487 1 584 . 1 . 1 100 100 GLN H H 1 9.112 0.000 . 1 . . . . . 100 GLN H . 52487 1 585 . 1 . 1 100 100 GLN C C 13 178.615 0.002 . 1 . . . . . 100 GLN C . 52487 1 586 . 1 . 1 100 100 GLN CA C 13 58.742 0.017 . 1 . . . . . 100 GLN CA . 52487 1 587 . 1 . 1 100 100 GLN CB C 13 27.758 0.005 . 1 . . . . . 100 GLN CB . 52487 1 588 . 1 . 1 100 100 GLN N N 15 118.889 0.012 . 1 . . . . . 100 GLN N . 52487 1 589 . 1 . 1 101 101 GLN H H 1 6.926 0.002 . 1 . . . . . 101 GLN H . 52487 1 590 . 1 . 1 101 101 GLN C C 13 180.527 0.044 . 1 . . . . . 101 GLN C . 52487 1 591 . 1 . 1 101 101 GLN CA C 13 58.750 0.013 . 1 . . . . . 101 GLN CA . 52487 1 592 . 1 . 1 101 101 GLN CB C 13 27.748 0.007 . 1 . . . . . 101 GLN CB . 52487 1 593 . 1 . 1 101 101 GLN N N 15 114.805 0.009 . 1 . . . . . 101 GLN N . 52487 1 594 . 1 . 1 102 102 GLY H H 1 7.731 0.003 . 1 . . . . . 102 GLY H . 52487 1 595 . 1 . 1 102 102 GLY C C 13 175.354 0.014 . 1 . . . . . 102 GLY C . 52487 1 596 . 1 . 1 102 102 GLY CA C 13 47.754 0.006 . 1 . . . . . 102 GLY CA . 52487 1 597 . 1 . 1 102 102 GLY N N 15 111.171 0.023 . 1 . . . . . 102 GLY N . 52487 1 598 . 1 . 1 103 103 GLU H H 1 8.220 0.001 . 1 . . . . . 103 GLU H . 52487 1 599 . 1 . 1 103 103 GLU C C 13 179.822 0.002 . 1 . . . . . 103 GLU C . 52487 1 600 . 1 . 1 103 103 GLU CA C 13 59.758 0.007 . 1 . . . . . 103 GLU CA . 52487 1 601 . 1 . 1 103 103 GLU CB C 13 29.785 0.014 . 1 . . . . . 103 GLU CB . 52487 1 602 . 1 . 1 103 103 GLU N N 15 121.805 0.004 . 1 . . . . . 103 GLU N . 52487 1 603 . 1 . 1 104 104 GLU H H 1 8.317 0.002 . 1 . . . . . 104 GLU H . 52487 1 604 . 1 . 1 104 104 GLU C C 13 178.653 0.028 . 1 . . . . . 104 GLU C . 52487 1 605 . 1 . 1 104 104 GLU CA C 13 58.741 0.056 . 1 . . . . . 104 GLU CA . 52487 1 606 . 1 . 1 104 104 GLU CB C 13 29.795 0.000 . 1 . . . . . 104 GLU CB . 52487 1 607 . 1 . 1 104 104 GLU N N 15 118.392 0.008 . 1 . . . . . 104 GLU N . 52487 1 608 . 1 . 1 105 105 PHE H H 1 8.065 0.001 . 1 . . . . . 105 PHE H . 52487 1 609 . 1 . 1 105 105 PHE C C 13 177.652 0.006 . 1 . . . . . 105 PHE C . 52487 1 610 . 1 . 1 105 105 PHE CA C 13 62.420 0.183 . 1 . . . . . 105 PHE CA . 52487 1 611 . 1 . 1 105 105 PHE CB C 13 39.752 0.015 . 1 . . . . . 105 PHE CB . 52487 1 612 . 1 . 1 105 105 PHE N N 15 120.611 0.006 . 1 . . . . . 105 PHE N . 52487 1 613 . 1 . 1 106 106 GLU H H 1 8.329 0.002 . 1 . . . . . 106 GLU H . 52487 1 614 . 1 . 1 106 106 GLU HA H 1 4.548 0.000 . 1 . . . . . 106 GLU HA . 52487 1 615 . 1 . 1 106 106 GLU HB2 H 1 2.258 0.000 . 2 . . . . . 106 GLU HB2 . 52487 1 616 . 1 . 1 106 106 GLU HB3 H 1 2.346 0.000 . 2 . . . . . 106 GLU HB3 . 52487 1 617 . 1 . 1 106 106 GLU C C 13 177.448 0.021 . 1 . . . . . 106 GLU C . 52487 1 618 . 1 . 1 106 106 GLU CA C 13 58.744 0.004 . 1 . . . . . 106 GLU CA . 52487 1 619 . 1 . 1 106 106 GLU CB C 13 29.751 0.009 . 1 . . . . . 106 GLU CB . 52487 1 620 . 1 . 1 106 106 GLU N N 15 120.097 0.003 . 1 . . . . . 106 GLU N . 52487 1 621 . 1 . 1 107 107 ARG H H 1 7.545 0.001 . 1 . . . . . 107 ARG H . 52487 1 622 . 1 . 1 107 107 ARG C C 13 178.248 0.029 . 1 . . . . . 107 ARG C . 52487 1 623 . 1 . 1 107 107 ARG CA C 13 58.731 0.020 . 1 . . . . . 107 ARG CA . 52487 1 624 . 1 . 1 107 107 ARG CB C 13 31.751 0.021 . 1 . . . . . 107 ARG CB . 52487 1 625 . 1 . 1 107 107 ARG N N 15 116.529 0.016 . 1 . . . . . 107 ARG N . 52487 1 626 . 1 . 1 108 108 ARG H H 1 7.936 0.003 . 1 . . . . . 108 ARG H . 52487 1 627 . 1 . 1 108 108 ARG C C 13 176.869 0.002 . 1 . . . . . 108 ARG C . 52487 1 628 . 1 . 1 108 108 ARG CA C 13 57.734 0.006 . 1 . . . . . 108 ARG CA . 52487 1 629 . 1 . 1 108 108 ARG CB C 13 31.743 0.009 . 1 . . . . . 108 ARG CB . 52487 1 630 . 1 . 1 108 108 ARG N N 15 114.334 0.008 . 1 . . . . . 108 ARG N . 52487 1 631 . 1 . 1 109 109 ILE H H 1 8.489 0.001 . 1 . . . . . 109 ILE H . 52487 1 632 . 1 . 1 109 109 ILE HA H 1 3.874 0.000 . 1 . . . . . 109 ILE HA . 52487 1 633 . 1 . 1 109 109 ILE HB H 1 0.685 0.000 . 1 . . . . . 109 ILE HB . 52487 1 634 . 1 . 1 109 109 ILE C C 13 174.787 0.002 . 1 . . . . . 109 ILE C . 52487 1 635 . 1 . 1 109 109 ILE CA C 13 63.727 0.026 . 1 . . . . . 109 ILE CA . 52487 1 636 . 1 . 1 109 109 ILE CB C 13 37.730 0.020 . 1 . . . . . 109 ILE CB . 52487 1 637 . 1 . 1 109 109 ILE N N 15 118.630 0.007 . 1 . . . . . 109 ILE N . 52487 1 638 . 1 . 1 110 110 GLY H H 1 7.384 0.002 . 1 . . . . . 110 GLY H . 52487 1 639 . 1 . 1 110 110 GLY C C 13 170.513 0.003 . 1 . . . . . 110 GLY C . 52487 1 640 . 1 . 1 110 110 GLY CA C 13 45.250 0.094 . 1 . . . . . 110 GLY CA . 52487 1 641 . 1 . 1 110 110 GLY N N 15 106.494 0.035 . 1 . . . . . 110 GLY N . 52487 1 642 . 1 . 1 111 111 GLN H H 1 8.394 0.001 . 1 . . . . . 111 GLN H . 52487 1 643 . 1 . 1 111 111 GLN C C 13 174.248 0.000 . 1 . . . . . 111 GLN C . 52487 1 644 . 1 . 1 111 111 GLN CA C 13 53.723 0.000 . 1 . . . . . 111 GLN CA . 52487 1 645 . 1 . 1 111 111 GLN CB C 13 29.743 0.000 . 1 . . . . . 111 GLN CB . 52487 1 646 . 1 . 1 111 111 GLN N N 15 117.136 0.005 . 1 . . . . . 111 GLN N . 52487 1 647 . 1 . 1 112 112 PRO C C 13 175.334 0.000 . 1 . . . . . 112 PRO C . 52487 1 648 . 1 . 1 112 112 PRO CA C 13 61.727 0.003 . 1 . . . . . 112 PRO CA . 52487 1 649 . 1 . 1 112 112 PRO CB C 13 30.715 0.018 . 1 . . . . . 112 PRO CB . 52487 1 650 . 1 . 1 113 113 THR H H 1 9.590 0.003 . 1 . . . . . 113 THR H . 52487 1 651 . 1 . 1 113 113 THR HA H 1 4.059 0.000 . 1 . . . . . 113 THR HA . 52487 1 652 . 1 . 1 113 113 THR HB H 1 3.719 0.000 . 1 . . . . . 113 THR HB . 52487 1 653 . 1 . 1 113 113 THR C C 13 173.477 0.000 . 1 . . . . . 113 THR C . 52487 1 654 . 1 . 1 113 113 THR CA C 13 64.743 0.007 . 1 . . . . . 113 THR CA . 52487 1 655 . 1 . 1 113 113 THR CB C 13 69.718 0.011 . 1 . . . . . 113 THR CB . 52487 1 656 . 1 . 1 113 113 THR N N 15 119.218 0.011 . 1 . . . . . 113 THR N . 52487 1 657 . 1 . 1 114 114 LEU H H 1 7.247 0.001 . 1 . . . . . 114 LEU H . 52487 1 658 . 1 . 1 114 114 LEU C C 13 173.370 0.004 . 1 . . . . . 114 LEU C . 52487 1 659 . 1 . 1 114 114 LEU CA C 13 53.758 0.022 . 1 . . . . . 114 LEU CA . 52487 1 660 . 1 . 1 114 114 LEU CB C 13 49.744 0.000 . 1 . . . . . 114 LEU CB . 52487 1 661 . 1 . 1 114 114 LEU N N 15 115.388 0.024 . 1 . . . . . 114 LEU N . 52487 1 662 . 1 . 1 115 115 LEU H H 1 8.456 0.002 . 1 . . . . . 115 LEU H . 52487 1 663 . 1 . 1 115 115 LEU HA H 1 5.224 0.000 . 1 . . . . . 115 LEU HA . 52487 1 664 . 1 . 1 115 115 LEU C C 13 174.243 0.002 . 1 . . . . . 115 LEU C . 52487 1 665 . 1 . 1 115 115 LEU CA C 13 54.723 0.007 . 1 . . . . . 115 LEU CA . 52487 1 666 . 1 . 1 115 115 LEU CB C 13 43.750 0.000 . 1 . . . . . 115 LEU CB . 52487 1 667 . 1 . 1 115 115 LEU N N 15 125.588 0.012 . 1 . . . . . 115 LEU N . 52487 1 668 . 1 . 1 116 116 LEU H H 1 9.227 0.002 . 1 . . . . . 116 LEU H . 52487 1 669 . 1 . 1 116 116 LEU HA H 1 4.848 0.000 . 1 . . . . . 116 LEU HA . 52487 1 670 . 1 . 1 116 116 LEU HB2 H 1 1.402 0.000 . 1 . . . . . 116 LEU HB2 . 52487 1 671 . 1 . 1 116 116 LEU HB3 H 1 1.402 0.000 . 1 . . . . . 116 LEU HB3 . 52487 1 672 . 1 . 1 116 116 LEU C C 13 173.148 0.001 . 1 . . . . . 116 LEU C . 52487 1 673 . 1 . 1 116 116 LEU CA C 13 53.648 0.125 . 1 . . . . . 116 LEU CA . 52487 1 674 . 1 . 1 116 116 LEU CB C 13 43.748 0.016 . 1 . . . . . 116 LEU CB . 52487 1 675 . 1 . 1 116 116 LEU N N 15 127.508 0.023 . 1 . . . . . 116 LEU N . 52487 1 676 . 1 . 1 117 117 TYR H H 1 8.741 0.001 . 1 . . . . . 117 TYR H . 52487 1 677 . 1 . 1 117 117 TYR C C 13 173.698 0.002 . 1 . . . . . 117 TYR C . 52487 1 678 . 1 . 1 117 117 TYR CA C 13 53.333 0.000 . 1 . . . . . 117 TYR CA . 52487 1 679 . 1 . 1 117 117 TYR CB C 13 38.754 0.000 . 1 . . . . . 117 TYR CB . 52487 1 680 . 1 . 1 117 117 TYR N N 15 127.842 0.007 . 1 . . . . . 117 TYR N . 52487 1 681 . 1 . 1 118 118 VAL H H 1 9.131 0.001 . 1 . . . . . 118 VAL H . 52487 1 682 . 1 . 1 118 118 VAL C C 13 173.261 0.001 . 1 . . . . . 118 VAL C . 52487 1 683 . 1 . 1 118 118 VAL CA C 13 61.627 0.138 . 1 . . . . . 118 VAL CA . 52487 1 684 . 1 . 1 118 118 VAL CB C 13 31.767 0.000 . 1 . . . . . 118 VAL CB . 52487 1 685 . 1 . 1 118 118 VAL N N 15 129.821 0.006 . 1 . . . . . 118 VAL N . 52487 1 686 . 1 . 1 119 119 ASP H H 1 8.090 0.001 . 1 . . . . . 119 ASP H . 52487 1 687 . 1 . 1 119 119 ASP HA H 1 4.547 0.000 . 1 . . . . . 119 ASP HA . 52487 1 688 . 1 . 1 119 119 ASP C C 13 174.236 0.007 . 1 . . . . . 119 ASP C . 52487 1 689 . 1 . 1 119 119 ASP CA C 13 54.737 0.019 . 1 . . . . . 119 ASP CA . 52487 1 690 . 1 . 1 119 119 ASP CB C 13 44.750 0.016 . 1 . . . . . 119 ASP CB . 52487 1 691 . 1 . 1 119 119 ASP N N 15 124.043 0.005 . 1 . . . . . 119 ASP N . 52487 1 692 . 1 . 1 120 120 ALA H H 1 7.826 0.001 . 1 . . . . . 120 ALA H . 52487 1 693 . 1 . 1 120 120 ALA HA H 1 4.622 0.000 . 1 . . . . . 120 ALA HA . 52487 1 694 . 1 . 1 120 120 ALA HB1 H 1 1.246 0.000 . 1 . . . . . 120 ALA HB1 . 52487 1 695 . 1 . 1 120 120 ALA HB2 H 1 1.246 0.000 . 1 . . . . . 120 ALA HB2 . 52487 1 696 . 1 . 1 120 120 ALA HB3 H 1 1.246 0.000 . 1 . . . . . 120 ALA HB3 . 52487 1 697 . 1 . 1 120 120 ALA C C 13 175.443 0.001 . 1 . . . . . 120 ALA C . 52487 1 698 . 1 . 1 120 120 ALA CA C 13 50.772 0.019 . 1 . . . . . 120 ALA CA . 52487 1 699 . 1 . 1 120 120 ALA CB C 13 21.755 0.015 . 1 . . . . . 120 ALA CB . 52487 1 700 . 1 . 1 120 120 ALA N N 15 127.275 0.003 . 1 . . . . . 120 ALA N . 52487 1 701 . 1 . 1 121 121 GLY H H 1 8.352 0.001 . 1 . . . . . 121 GLY H . 52487 1 702 . 1 . 1 121 121 GLY CA C 13 44.737 0.000 . 1 . . . . . 121 GLY CA . 52487 1 703 . 1 . 1 121 121 GLY N N 15 107.404 0.010 . 1 . . . . . 121 GLY N . 52487 1 704 . 1 . 1 122 122 PRO C C 13 179.505 0.000 . 1 . . . . . 122 PRO C . 52487 1 705 . 1 . 1 122 122 PRO CA C 13 65.746 0.000 . 1 . . . . . 122 PRO CA . 52487 1 706 . 1 . 1 122 122 PRO CB C 13 31.752 0.000 . 1 . . . . . 122 PRO CB . 52487 1 707 . 1 . 1 123 123 GLU H H 1 8.797 0.001 . 1 . . . . . 123 GLU H . 52487 1 708 . 1 . 1 123 123 GLU C C 13 178.870 0.034 . 1 . . . . . 123 GLU C . 52487 1 709 . 1 . 1 123 123 GLU CA C 13 59.769 0.036 . 1 . . . . . 123 GLU CA . 52487 1 710 . 1 . 1 123 123 GLU CB C 13 28.773 0.010 . 1 . . . . . 123 GLU CB . 52487 1 711 . 1 . 1 123 123 GLU N N 15 120.738 0.005 . 1 . . . . . 123 GLU N . 52487 1 712 . 1 . 1 124 124 THR H H 1 8.202 0.001 . 1 . . . . . 124 THR H . 52487 1 713 . 1 . 1 124 124 THR HA H 1 3.949 0.000 . 1 . . . . . 124 THR HA . 52487 1 714 . 1 . 1 124 124 THR HB H 1 4.134 0.000 . 1 . . . . . 124 THR HB . 52487 1 715 . 1 . 1 124 124 THR C C 13 176.647 0.000 . 1 . . . . . 124 THR C . 52487 1 716 . 1 . 1 124 124 THR CA C 13 65.813 0.044 . 1 . . . . . 124 THR CA . 52487 1 717 . 1 . 1 124 124 THR CB C 13 67.769 0.028 . 1 . . . . . 124 THR CB . 52487 1 718 . 1 . 1 124 124 THR N N 15 117.783 0.002 . 1 . . . . . 124 THR N . 52487 1 719 . 1 . 1 125 125 MET H H 1 8.184 0.000 . 1 . . . . . 125 MET H . 52487 1 720 . 1 . 1 125 125 MET HA H 1 3.953 0.000 . 1 . . . . . 125 MET HA . 52487 1 721 . 1 . 1 125 125 MET C C 13 177.631 0.001 . 1 . . . . . 125 MET C . 52487 1 722 . 1 . 1 125 125 MET CA C 13 59.742 0.001 . 1 . . . . . 125 MET CA . 52487 1 723 . 1 . 1 125 125 MET CB C 13 32.748 0.004 . 1 . . . . . 125 MET CB . 52487 1 724 . 1 . 1 125 125 MET N N 15 119.323 0.008 . 1 . . . . . 125 MET N . 52487 1 725 . 1 . 1 126 126 THR H H 1 8.100 0.001 . 1 . . . . . 126 THR H . 52487 1 726 . 1 . 1 126 126 THR C C 13 175.771 0.000 . 1 . . . . . 126 THR C . 52487 1 727 . 1 . 1 126 126 THR CA C 13 62.226 3.768 . 1 . . . . . 126 THR CA . 52487 1 728 . 1 . 1 126 126 THR CB C 13 68.801 0.020 . 1 . . . . . 126 THR CB . 52487 1 729 . 1 . 1 126 126 THR N N 15 114.543 0.012 . 1 . . . . . 126 THR N . 52487 1 730 . 1 . 1 127 127 GLN H H 1 7.776 0.002 . 1 . . . . . 127 GLN H . 52487 1 731 . 1 . 1 127 127 GLN HA H 1 3.949 0.000 . 1 . . . . . 127 GLN HA . 52487 1 732 . 1 . 1 127 127 GLN HB2 H 1 2.185 0.000 . 1 . . . . . 127 GLN HB2 . 52487 1 733 . 1 . 1 127 127 GLN HB3 H 1 2.185 0.000 . 1 . . . . . 127 GLN HB3 . 52487 1 734 . 1 . 1 127 127 GLN C C 13 178.839 0.000 . 1 . . . . . 127 GLN C . 52487 1 735 . 1 . 1 127 127 GLN CA C 13 58.744 0.014 . 1 . . . . . 127 GLN CA . 52487 1 736 . 1 . 1 127 127 GLN CB C 13 28.446 0.188 . 1 . . . . . 127 GLN CB . 52487 1 737 . 1 . 1 127 127 GLN CG C 13 33.529 0.000 . 1 . . . . . 127 GLN CG . 52487 1 738 . 1 . 1 127 127 GLN N N 15 119.542 0.004 . 1 . . . . . 127 GLN N . 52487 1 739 . 1 . 1 128 128 ARG H H 1 8.042 0.001 . 1 . . . . . 128 ARG H . 52487 1 740 . 1 . 1 128 128 ARG C C 13 178.946 0.000 . 1 . . . . . 128 ARG C . 52487 1 741 . 1 . 1 128 128 ARG CA C 13 59.450 0.000 . 1 . . . . . 128 ARG CA . 52487 1 742 . 1 . 1 128 128 ARG CB C 13 30.646 0.080 . 1 . . . . . 128 ARG CB . 52487 1 743 . 1 . 1 128 128 ARG N N 15 118.181 0.011 . 1 . . . . . 128 ARG N . 52487 1 744 . 1 . 1 129 129 LEU C C 13 178.954 0.000 . 1 . . . . . 129 LEU C . 52487 1 745 . 1 . 1 129 129 LEU CA C 13 59.704 0.000 . 1 . . . . . 129 LEU CA . 52487 1 746 . 1 . 1 130 130 LEU H H 1 7.901 0.003 . 1 . . . . . 130 LEU H . 52487 1 747 . 1 . 1 130 130 LEU C C 13 178.401 0.001 . 1 . . . . . 130 LEU C . 52487 1 748 . 1 . 1 130 130 LEU CA C 13 56.744 0.019 . 1 . . . . . 130 LEU CA . 52487 1 749 . 1 . 1 130 130 LEU CB C 13 42.701 0.061 . 1 . . . . . 130 LEU CB . 52487 1 750 . 1 . 1 130 130 LEU CG C 13 25.890 0.000 . 1 . . . . . 130 LEU CG . 52487 1 751 . 1 . 1 130 130 LEU N N 15 119.834 0.008 . 1 . . . . . 130 LEU N . 52487 1 752 . 1 . 1 131 131 LYS H H 1 7.817 0.004 . 1 . . . . . 131 LYS H . 52487 1 753 . 1 . 1 131 131 LYS C C 13 177.144 0.166 . 1 . . . . . 131 LYS C . 52487 1 754 . 1 . 1 131 131 LYS CA C 13 56.718 0.033 . 1 . . . . . 131 LYS CA . 52487 1 755 . 1 . 1 131 131 LYS CB C 13 32.711 0.057 . 1 . . . . . 131 LYS CB . 52487 1 756 . 1 . 1 131 131 LYS N N 15 123.317 0.005 . 1 . . . . . 131 LYS N . 52487 1 757 . 1 . 1 132 132 ARG H H 1 8.001 0.001 . 1 . . . . . 132 ARG H . 52487 1 758 . 1 . 1 132 132 ARG HA H 1 4.263 0.000 . 1 . . . . . 132 ARG HA . 52487 1 759 . 1 . 1 132 132 ARG HB2 H 1 1.896 0.000 . 1 . . . . . 132 ARG HB2 . 52487 1 760 . 1 . 1 132 132 ARG HB3 H 1 1.896 0.000 . 1 . . . . . 132 ARG HB3 . 52487 1 761 . 1 . 1 132 132 ARG C C 13 177.317 0.007 . 1 . . . . . 132 ARG C . 52487 1 762 . 1 . 1 132 132 ARG CA C 13 56.774 0.019 . 1 . . . . . 132 ARG CA . 52487 1 763 . 1 . 1 132 132 ARG CB C 13 30.763 0.016 . 1 . . . . . 132 ARG CB . 52487 1 764 . 1 . 1 132 132 ARG N N 15 120.373 0.005 . 1 . . . . . 132 ARG N . 52487 1 765 . 1 . 1 133 133 GLY H H 1 8.302 0.001 . 1 . . . . . 133 GLY H . 52487 1 766 . 1 . 1 133 133 GLY C C 13 174.675 0.004 . 1 . . . . . 133 GLY C . 52487 1 767 . 1 . 1 133 133 GLY CA C 13 45.741 0.022 . 1 . . . . . 133 GLY CA . 52487 1 768 . 1 . 1 133 133 GLY N N 15 109.176 0.060 . 1 . . . . . 133 GLY N . 52487 1 769 . 1 . 1 134 134 GLU H H 1 8.232 0.000 . 1 . . . . . 134 GLU H . 52487 1 770 . 1 . 1 134 134 GLU HA H 1 4.324 0.000 . 1 . . . . . 134 GLU HA . 52487 1 771 . 1 . 1 134 134 GLU HB2 H 1 2.034 0.000 . 2 . . . . . 134 GLU HB2 . 52487 1 772 . 1 . 1 134 134 GLU HB3 H 1 2.143 0.000 . 2 . . . . . 134 GLU HB3 . 52487 1 773 . 1 . 1 134 134 GLU C C 13 177.417 0.004 . 1 . . . . . 134 GLU C . 52487 1 774 . 1 . 1 134 134 GLU CA C 13 57.696 0.004 . 1 . . . . . 134 GLU CA . 52487 1 775 . 1 . 1 134 134 GLU CB C 13 30.540 0.164 . 1 . . . . . 134 GLU CB . 52487 1 776 . 1 . 1 134 134 GLU N N 15 120.610 0.004 . 1 . . . . . 134 GLU N . 52487 1 777 . 1 . 1 135 135 THR H H 1 8.189 0.001 . 1 . . . . . 135 THR H . 52487 1 778 . 1 . 1 135 135 THR HA H 1 4.396 0.000 . 1 . . . . . 135 THR HA . 52487 1 779 . 1 . 1 135 135 THR HB H 1 4.321 0.000 . 1 . . . . . 135 THR HB . 52487 1 780 . 1 . 1 135 135 THR C C 13 175.007 0.004 . 1 . . . . . 135 THR C . 52487 1 781 . 1 . 1 135 135 THR CA C 13 61.764 0.000 . 1 . . . . . 135 THR CA . 52487 1 782 . 1 . 1 135 135 THR CB C 13 69.728 0.002 . 1 . . . . . 135 THR CB . 52487 1 783 . 1 . 1 135 135 THR N N 15 113.182 0.182 . 1 . . . . . 135 THR N . 52487 1 784 . 1 . 1 136 136 SER H H 1 8.272 0.001 . 1 . . . . . 136 SER H . 52487 1 785 . 1 . 1 136 136 SER HA H 1 4.467 0.000 . 1 . . . . . 136 SER HA . 52487 1 786 . 1 . 1 136 136 SER HB2 H 1 3.939 0.000 . 1 . . . . . 136 SER HB2 . 52487 1 787 . 1 . 1 136 136 SER HB3 H 1 3.939 0.000 . 1 . . . . . 136 SER HB3 . 52487 1 788 . 1 . 1 136 136 SER C C 13 175.061 0.036 . 1 . . . . . 136 SER C . 52487 1 789 . 1 . 1 136 136 SER CA C 13 58.738 0.015 . 1 . . . . . 136 SER CA . 52487 1 790 . 1 . 1 136 136 SER CB C 13 63.765 0.039 . 1 . . . . . 136 SER CB . 52487 1 791 . 1 . 1 136 136 SER N N 15 117.317 0.008 . 1 . . . . . 136 SER N . 52487 1 792 . 1 . 1 137 137 GLY H H 1 8.346 0.001 . 1 . . . . . 137 GLY H . 52487 1 793 . 1 . 1 137 137 GLY C C 13 173.816 0.007 . 1 . . . . . 137 GLY C . 52487 1 794 . 1 . 1 137 137 GLY CA C 13 45.754 0.013 . 1 . . . . . 137 GLY CA . 52487 1 795 . 1 . 1 137 137 GLY N N 15 110.675 0.012 . 1 . . . . . 137 GLY N . 52487 1 796 . 1 . 1 138 138 ARG H H 1 8.165 0.001 . 1 . . . . . 138 ARG H . 52487 1 797 . 1 . 1 138 138 ARG C C 13 176.604 0.009 . 1 . . . . . 138 ARG C . 52487 1 798 . 1 . 1 138 138 ARG CA C 13 55.757 0.005 . 1 . . . . . 138 ARG CA . 52487 1 799 . 1 . 1 138 138 ARG CB C 13 30.846 0.068 . 1 . . . . . 138 ARG CB . 52487 1 800 . 1 . 1 138 138 ARG CG C 13 26.978 0.000 . 1 . . . . . 138 ARG CG . 52487 1 801 . 1 . 1 138 138 ARG N N 15 120.610 0.002 . 1 . . . . . 138 ARG N . 52487 1 802 . 1 . 1 139 139 VAL H H 1 8.339 0.001 . 1 . . . . . 139 VAL H . 52487 1 803 . 1 . 1 139 139 VAL C C 13 175.882 0.006 . 1 . . . . . 139 VAL C . 52487 1 804 . 1 . 1 139 139 VAL CA C 13 62.737 0.022 . 1 . . . . . 139 VAL CA . 52487 1 805 . 1 . 1 139 139 VAL CB C 13 32.746 0.004 . 1 . . . . . 139 VAL CB . 52487 1 806 . 1 . 1 139 139 VAL CG1 C 13 20.784 0.000 . 1 . . . . . 139 VAL CG1 . 52487 1 807 . 1 . 1 139 139 VAL N N 15 121.288 0.005 . 1 . . . . . 139 VAL N . 52487 1 808 . 1 . 1 140 140 ASP H H 1 8.411 0.001 . 1 . . . . . 140 ASP H . 52487 1 809 . 1 . 1 140 140 ASP C C 13 175.793 0.015 . 1 . . . . . 140 ASP C . 52487 1 810 . 1 . 1 140 140 ASP CA C 13 54.708 0.027 . 1 . . . . . 140 ASP CA . 52487 1 811 . 1 . 1 140 140 ASP CB C 13 40.763 0.025 . 1 . . . . . 140 ASP CB . 52487 1 812 . 1 . 1 140 140 ASP N N 15 122.328 0.146 . 1 . . . . . 140 ASP N . 52487 1 813 . 1 . 1 141 141 ASP H H 1 7.939 0.001 . 1 . . . . . 141 ASP H . 52487 1 814 . 1 . 1 141 141 ASP C C 13 175.367 0.022 . 1 . . . . . 141 ASP C . 52487 1 815 . 1 . 1 141 141 ASP CA C 13 54.223 0.104 . 1 . . . . . 141 ASP CA . 52487 1 816 . 1 . 1 141 141 ASP CB C 13 41.733 0.020 . 1 . . . . . 141 ASP CB . 52487 1 817 . 1 . 1 141 141 ASP N N 15 120.281 0.008 . 1 . . . . . 141 ASP N . 52487 1 818 . 1 . 1 142 142 ASN H H 1 8.196 0.001 . 1 . . . . . 142 ASN H . 52487 1 819 . 1 . 1 142 142 ASN HA H 1 4.698 0.000 . 1 . . . . . 142 ASN HA . 52487 1 820 . 1 . 1 142 142 ASN HB2 H 1 3.121 0.000 . 2 . . . . . 142 ASN HB2 . 52487 1 821 . 1 . 1 142 142 ASN HB3 H 1 2.936 0.000 . 2 . . . . . 142 ASN HB3 . 52487 1 822 . 1 . 1 142 142 ASN C C 13 175.226 0.001 . 1 . . . . . 142 ASN C . 52487 1 823 . 1 . 1 142 142 ASN CA C 13 52.756 0.013 . 1 . . . . . 142 ASN CA . 52487 1 824 . 1 . 1 142 142 ASN CB C 13 39.746 0.010 . 1 . . . . . 142 ASN CB . 52487 1 825 . 1 . 1 142 142 ASN N N 15 117.779 0.044 . 1 . . . . . 142 ASN N . 52487 1 826 . 1 . 1 143 143 GLU H H 1 8.918 0.002 . 1 . . . . . 143 GLU H . 52487 1 827 . 1 . 1 143 143 GLU C C 13 177.527 0.002 . 1 . . . . . 143 GLU C . 52487 1 828 . 1 . 1 143 143 GLU CA C 13 60.735 0.000 . 1 . . . . . 143 GLU CA . 52487 1 829 . 1 . 1 143 143 GLU CB C 13 29.757 0.005 . 1 . . . . . 143 GLU CB . 52487 1 830 . 1 . 1 143 143 GLU CG C 13 36.799 0.000 . 1 . . . . . 143 GLU CG . 52487 1 831 . 1 . 1 143 143 GLU N N 15 120.068 0.010 . 1 . . . . . 143 GLU N . 52487 1 832 . 1 . 1 144 144 GLU H H 1 8.386 0.015 . 1 . . . . . 144 GLU H . 52487 1 833 . 1 . 1 144 144 GLU C C 13 179.057 0.002 . 1 . . . . . 144 GLU C . 52487 1 834 . 1 . 1 144 144 GLU CA C 13 59.725 0.035 . 1 . . . . . 144 GLU CA . 52487 1 835 . 1 . 1 144 144 GLU CB C 13 29.733 0.018 . 1 . . . . . 144 GLU CB . 52487 1 836 . 1 . 1 144 144 GLU CG C 13 36.792 0.000 . 1 . . . . . 144 GLU CG . 52487 1 837 . 1 . 1 144 144 GLU N N 15 118.625 0.015 . 1 . . . . . 144 GLU N . 52487 1 838 . 1 . 1 145 145 THR H H 1 8.213 0.002 . 1 . . . . . 145 THR H . 52487 1 839 . 1 . 1 145 145 THR C C 13 177.423 0.001 . 1 . . . . . 145 THR C . 52487 1 840 . 1 . 1 145 145 THR CA C 13 65.743 0.003 . 1 . . . . . 145 THR CA . 52487 1 841 . 1 . 1 145 145 THR CB C 13 68.742 0.004 . 1 . . . . . 145 THR CB . 52487 1 842 . 1 . 1 145 145 THR CG2 C 13 21.414 0.000 . 1 . . . . . 145 THR CG2 . 52487 1 843 . 1 . 1 145 145 THR N N 15 115.895 0.005 . 1 . . . . . 145 THR N . 52487 1 844 . 1 . 1 146 146 ILE H H 1 8.274 0.002 . 1 . . . . . 146 ILE H . 52487 1 845 . 1 . 1 146 146 ILE HA H 1 4.347 0.000 . 1 . . . . . 146 ILE HA . 52487 1 846 . 1 . 1 146 146 ILE HB H 1 2.824 0.000 . 1 . . . . . 146 ILE HB . 52487 1 847 . 1 . 1 146 146 ILE C C 13 177.629 0.004 . 1 . . . . . 146 ILE C . 52487 1 848 . 1 . 1 146 146 ILE CA C 13 65.696 0.071 . 1 . . . . . 146 ILE CA . 52487 1 849 . 1 . 1 146 146 ILE CB C 13 37.746 0.008 . 1 . . . . . 146 ILE CB . 52487 1 850 . 1 . 1 146 146 ILE N N 15 123.936 0.017 . 1 . . . . . 146 ILE N . 52487 1 851 . 1 . 1 147 147 LYS H H 1 8.392 0.002 . 1 . . . . . 147 LYS H . 52487 1 852 . 1 . 1 147 147 LYS C C 13 179.601 0.002 . 1 . . . . . 147 LYS C . 52487 1 853 . 1 . 1 147 147 LYS CA C 13 60.716 0.025 . 1 . . . . . 147 LYS CA . 52487 1 854 . 1 . 1 147 147 LYS CB C 13 32.700 0.014 . 1 . . . . . 147 LYS CB . 52487 1 855 . 1 . 1 147 147 LYS N N 15 119.959 0.008 . 1 . . . . . 147 LYS N . 52487 1 856 . 1 . 1 148 148 LYS H H 1 7.839 0.001 . 1 . . . . . 148 LYS H . 52487 1 857 . 1 . 1 148 148 LYS C C 13 179.279 0.001 . 1 . . . . . 148 LYS C . 52487 1 858 . 1 . 1 148 148 LYS CA C 13 58.750 0.007 . 1 . . . . . 148 LYS CA . 52487 1 859 . 1 . 1 148 148 LYS CB C 13 31.813 0.041 . 1 . . . . . 148 LYS CB . 52487 1 860 . 1 . 1 148 148 LYS N N 15 118.886 0.004 . 1 . . . . . 148 LYS N . 52487 1 861 . 1 . 1 149 149 ARG H H 1 8.157 0.001 . 1 . . . . . 149 ARG H . 52487 1 862 . 1 . 1 149 149 ARG C C 13 177.860 0.000 . 1 . . . . . 149 ARG C . 52487 1 863 . 1 . 1 149 149 ARG CA C 13 59.782 0.051 . 1 . . . . . 149 ARG CA . 52487 1 864 . 1 . 1 149 149 ARG CB C 13 29.815 0.000 . 1 . . . . . 149 ARG CB . 52487 1 865 . 1 . 1 149 149 ARG N N 15 121.512 0.006 . 1 . . . . . 149 ARG N . 52487 1 866 . 1 . 1 150 150 LEU H H 1 8.493 0.003 . 1 . . . . . 150 LEU H . 52487 1 867 . 1 . 1 150 150 LEU C C 13 179.078 0.000 . 1 . . . . . 150 LEU C . 52487 1 868 . 1 . 1 150 150 LEU CA C 13 56.737 0.000 . 1 . . . . . 150 LEU CA . 52487 1 869 . 1 . 1 150 150 LEU CB C 13 42.744 0.000 . 1 . . . . . 150 LEU CB . 52487 1 870 . 1 . 1 150 150 LEU N N 15 120.196 0.009 . 1 . . . . . 150 LEU N . 52487 1 871 . 1 . 1 151 151 GLU H H 1 8.120 0.001 . 1 . . . . . 151 GLU H . 52487 1 872 . 1 . 1 151 151 GLU C C 13 176.104 0.000 . 1 . . . . . 151 GLU C . 52487 1 873 . 1 . 1 151 151 GLU CA C 13 56.373 0.000 . 1 . . . . . 151 GLU CA . 52487 1 874 . 1 . 1 151 151 GLU CB C 13 32.731 0.000 . 1 . . . . . 151 GLU CB . 52487 1 875 . 1 . 1 151 151 GLU N N 15 120.951 0.009 . 1 . . . . . 151 GLU N . 52487 1 876 . 1 . 1 152 152 THR H H 1 7.608 0.003 . 1 . . . . . 152 THR H . 52487 1 877 . 1 . 1 152 152 THR C C 13 176.336 0.000 . 1 . . . . . 152 THR C . 52487 1 878 . 1 . 1 152 152 THR CA C 13 66.724 0.017 . 1 . . . . . 152 THR CA . 52487 1 879 . 1 . 1 152 152 THR CB C 13 68.729 0.010 . 1 . . . . . 152 THR CB . 52487 1 880 . 1 . 1 152 152 THR CG2 C 13 21.574 0.000 . 1 . . . . . 152 THR CG2 . 52487 1 881 . 1 . 1 152 152 THR N N 15 119.703 0.217 . 1 . . . . . 152 THR N . 52487 1 882 . 1 . 1 153 153 TYR H H 1 7.903 0.001 . 1 . . . . . 153 TYR H . 52487 1 883 . 1 . 1 153 153 TYR C C 13 178.835 0.000 . 1 . . . . . 153 TYR C . 52487 1 884 . 1 . 1 153 153 TYR CA C 13 62.732 0.000 . 1 . . . . . 153 TYR CA . 52487 1 885 . 1 . 1 153 153 TYR CB C 13 37.737 0.000 . 1 . . . . . 153 TYR CB . 52487 1 886 . 1 . 1 153 153 TYR N N 15 123.359 0.003 . 1 . . . . . 153 TYR N . 52487 1 887 . 1 . 1 154 154 TYR H H 1 9.060 0.000 . 1 . . . . . 154 TYR H . 52487 1 888 . 1 . 1 154 154 TYR HA H 1 4.059 0.000 . 1 . . . . . 154 TYR HA . 52487 1 889 . 1 . 1 154 154 TYR C C 13 178.619 0.001 . 1 . . . . . 154 TYR C . 52487 1 890 . 1 . 1 154 154 TYR CA C 13 62.730 0.004 . 1 . . . . . 154 TYR CA . 52487 1 891 . 1 . 1 154 154 TYR CB C 13 37.755 0.010 . 1 . . . . . 154 TYR CB . 52487 1 892 . 1 . 1 154 154 TYR N N 15 122.431 0.004 . 1 . . . . . 154 TYR N . 52487 1 893 . 1 . 1 155 155 LYS H H 1 8.249 0.001 . 1 . . . . . 155 LYS H . 52487 1 894 . 1 . 1 155 155 LYS HA H 1 4.101 0.000 . 1 . . . . . 155 LYS HA . 52487 1 895 . 1 . 1 155 155 LYS HB2 H 1 1.995 0.000 . 2 . . . . . 155 LYS HB2 . 52487 1 896 . 1 . 1 155 155 LYS HB3 H 1 1.923 0.000 . 2 . . . . . 155 LYS HB3 . 52487 1 897 . 1 . 1 155 155 LYS C C 13 178.924 0.025 . 1 . . . . . 155 LYS C . 52487 1 898 . 1 . 1 155 155 LYS CA C 13 58.772 0.015 . 1 . . . . . 155 LYS CA . 52487 1 899 . 1 . 1 155 155 LYS CB C 13 32.740 0.003 . 1 . . . . . 155 LYS CB . 52487 1 900 . 1 . 1 155 155 LYS N N 15 118.921 0.006 . 1 . . . . . 155 LYS N . 52487 1 901 . 1 . 1 156 156 ALA H H 1 7.474 0.001 . 1 . . . . . 156 ALA H . 52487 1 902 . 1 . 1 156 156 ALA HA H 1 4.248 0.000 . 1 . . . . . 156 ALA HA . 52487 1 903 . 1 . 1 156 156 ALA HB1 H 1 1.472 0.000 . 1 . . . . . 156 ALA HB1 . 52487 1 904 . 1 . 1 156 156 ALA HB2 H 1 1.472 0.000 . 1 . . . . . 156 ALA HB2 . 52487 1 905 . 1 . 1 156 156 ALA HB3 H 1 1.472 0.000 . 1 . . . . . 156 ALA HB3 . 52487 1 906 . 1 . 1 156 156 ALA C C 13 179.165 0.001 . 1 . . . . . 156 ALA C . 52487 1 907 . 1 . 1 156 156 ALA CA C 13 53.731 0.004 . 1 . . . . . 156 ALA CA . 52487 1 908 . 1 . 1 156 156 ALA CB C 13 18.772 0.017 . 1 . . . . . 156 ALA CB . 52487 1 909 . 1 . 1 156 156 ALA N N 15 118.573 0.009 . 1 . . . . . 156 ALA N . 52487 1 910 . 1 . 1 157 157 THR H H 1 7.804 0.001 . 1 . . . . . 157 THR H . 52487 1 911 . 1 . 1 157 157 THR C C 13 175.558 0.004 . 1 . . . . . 157 THR C . 52487 1 912 . 1 . 1 157 157 THR CA C 13 65.731 0.001 . 1 . . . . . 157 THR CA . 52487 1 913 . 1 . 1 157 157 THR CB C 13 69.721 0.003 . 1 . . . . . 157 THR CB . 52487 1 914 . 1 . 1 157 157 THR N N 15 113.253 0.011 . 1 . . . . . 157 THR N . 52487 1 915 . 1 . 1 158 158 GLU H H 1 8.438 0.001 . 1 . . . . . 158 GLU H . 52487 1 916 . 1 . 1 158 158 GLU C C 13 176.215 0.000 . 1 . . . . . 158 GLU C . 52487 1 917 . 1 . 1 158 158 GLU CA C 13 55.762 0.000 . 1 . . . . . 158 GLU CA . 52487 1 918 . 1 . 1 158 158 GLU CB C 13 32.780 0.000 . 1 . . . . . 158 GLU CB . 52487 1 919 . 1 . 1 158 158 GLU N N 15 124.117 0.011 . 1 . . . . . 158 GLU N . 52487 1 920 . 1 . 1 159 159 PRO HA H 1 4.380 0.000 . 1 . . . . . 159 PRO HA . 52487 1 921 . 1 . 1 159 159 PRO HB2 H 1 2.339 0.000 . 1 . . . . . 159 PRO HB2 . 52487 1 922 . 1 . 1 159 159 PRO C C 13 179.820 0.002 . 1 . . . . . 159 PRO C . 52487 1 923 . 1 . 1 159 159 PRO CA C 13 65.720 0.000 . 1 . . . . . 159 PRO CA . 52487 1 924 . 1 . 1 159 159 PRO CB C 13 31.771 0.000 . 1 . . . . . 159 PRO CB . 52487 1 925 . 1 . 1 160 160 VAL H H 1 7.092 0.002 . 1 . . . . . 160 VAL H . 52487 1 926 . 1 . 1 160 160 VAL C C 13 176.889 0.000 . 1 . . . . . 160 VAL C . 52487 1 927 . 1 . 1 160 160 VAL CA C 13 66.697 0.000 . 1 . . . . . 160 VAL CA . 52487 1 928 . 1 . 1 160 160 VAL CB C 13 31.750 0.000 . 1 . . . . . 160 VAL CB . 52487 1 929 . 1 . 1 160 160 VAL N N 15 118.695 0.108 . 1 . . . . . 160 VAL N . 52487 1 930 . 1 . 1 162 162 ALA C C 13 180.158 0.003 . 1 . . . . . 162 ALA C . 52487 1 931 . 1 . 1 162 162 ALA CA C 13 55.570 0.000 . 1 . . . . . 162 ALA CA . 52487 1 932 . 1 . 1 162 162 ALA CB C 13 18.666 0.023 . 1 . . . . . 162 ALA CB . 52487 1 933 . 1 . 1 163 163 PHE H H 1 7.650 0.001 . 1 . . . . . 163 PHE H . 52487 1 934 . 1 . 1 163 163 PHE HA H 1 4.118 0.000 . 1 . . . . . 163 PHE HA . 52487 1 935 . 1 . 1 163 163 PHE C C 13 178.029 0.033 . 1 . . . . . 163 PHE C . 52487 1 936 . 1 . 1 163 163 PHE CA C 13 61.106 0.031 . 1 . . . . . 163 PHE CA . 52487 1 937 . 1 . 1 163 163 PHE CB C 13 39.746 0.001 . 1 . . . . . 163 PHE CB . 52487 1 938 . 1 . 1 163 163 PHE N N 15 118.581 0.007 . 1 . . . . . 163 PHE N . 52487 1 939 . 1 . 1 164 164 TYR H H 1 7.802 0.003 . 1 . . . . . 164 TYR H . 52487 1 940 . 1 . 1 164 164 TYR HA H 1 4.192 0.000 . 1 . . . . . 164 TYR HA . 52487 1 941 . 1 . 1 164 164 TYR C C 13 178.648 0.027 . 1 . . . . . 164 TYR C . 52487 1 942 . 1 . 1 164 164 TYR CA C 13 62.739 0.008 . 1 . . . . . 164 TYR CA . 52487 1 943 . 1 . 1 164 164 TYR CB C 13 38.758 0.008 . 1 . . . . . 164 TYR CB . 52487 1 944 . 1 . 1 164 164 TYR N N 15 115.908 0.017 . 1 . . . . . 164 TYR N . 52487 1 945 . 1 . 1 165 165 GLU H H 1 9.400 0.003 . 1 . . . . . 165 GLU H . 52487 1 946 . 1 . 1 165 165 GLU HA H 1 4.237 0.000 . 1 . . . . . 165 GLU HA . 52487 1 947 . 1 . 1 165 165 GLU HB2 H 1 2.072 0.000 . 2 . . . . . 165 GLU HB2 . 52487 1 948 . 1 . 1 165 165 GLU HB3 H 1 2.259 0.000 . 2 . . . . . 165 GLU HB3 . 52487 1 949 . 1 . 1 165 165 GLU CA C 13 59.695 0.012 . 1 . . . . . 165 GLU CA . 52487 1 950 . 1 . 1 165 165 GLU CB C 13 29.755 0.016 . 1 . . . . . 165 GLU CB . 52487 1 951 . 1 . 1 165 165 GLU N N 15 126.579 0.008 . 1 . . . . . 165 GLU N . 52487 1 952 . 1 . 1 166 166 LYS H H 1 7.299 0.002 . 1 . . . . . 166 LYS H . 52487 1 953 . 1 . 1 166 166 LYS C C 13 177.849 0.001 . 1 . . . . . 166 LYS C . 52487 1 954 . 1 . 1 166 166 LYS CA C 13 58.749 0.006 . 1 . . . . . 166 LYS CA . 52487 1 955 . 1 . 1 166 166 LYS CB C 13 31.771 0.013 . 1 . . . . . 166 LYS CB . 52487 1 956 . 1 . 1 166 166 LYS N N 15 118.871 0.107 . 1 . . . . . 166 LYS N . 52487 1 957 . 1 . 1 167 167 ARG H H 1 6.916 0.003 . 1 . . . . . 167 ARG H . 52487 1 958 . 1 . 1 167 167 ARG HA H 1 4.346 0.000 . 1 . . . . . 167 ARG HA . 52487 1 959 . 1 . 1 167 167 ARG HB2 H 1 2.186 0.000 . 2 . . . . . 167 ARG HB2 . 52487 1 960 . 1 . 1 167 167 ARG HB3 H 1 1.922 0.000 . 2 . . . . . 167 ARG HB3 . 52487 1 961 . 1 . 1 167 167 ARG C C 13 176.979 0.002 . 1 . . . . . 167 ARG C . 52487 1 962 . 1 . 1 167 167 ARG CA C 13 55.751 0.002 . 1 . . . . . 167 ARG CA . 52487 1 963 . 1 . 1 167 167 ARG CB C 13 31.743 0.010 . 1 . . . . . 167 ARG CB . 52487 1 964 . 1 . 1 167 167 ARG N N 15 114.903 0.037 . 1 . . . . . 167 ARG N . 52487 1 965 . 1 . 1 168 168 GLY H H 1 7.850 0.002 . 1 . . . . . 168 GLY H . 52487 1 966 . 1 . 1 168 168 GLY C C 13 176.545 0.004 . 1 . . . . . 168 GLY C . 52487 1 967 . 1 . 1 168 168 GLY CA C 13 46.715 0.011 . 1 . . . . . 168 GLY CA . 52487 1 968 . 1 . 1 168 168 GLY N N 15 106.496 0.021 . 1 . . . . . 168 GLY N . 52487 1 969 . 1 . 1 169 169 ILE H H 1 6.864 0.002 . 1 . . . . . 169 ILE H . 52487 1 970 . 1 . 1 169 169 ILE HA H 1 4.586 0.000 . 1 . . . . . 169 ILE HA . 52487 1 971 . 1 . 1 169 169 ILE C C 13 174.682 0.002 . 1 . . . . . 169 ILE C . 52487 1 972 . 1 . 1 169 169 ILE CA C 13 61.739 0.002 . 1 . . . . . 169 ILE CA . 52487 1 973 . 1 . 1 169 169 ILE CB C 13 39.725 0.001 . 1 . . . . . 169 ILE CB . 52487 1 974 . 1 . 1 169 169 ILE CG2 C 13 17.094 0.000 . 1 . . . . . 169 ILE CG2 . 52487 1 975 . 1 . 1 169 169 ILE N N 15 108.529 0.112 . 1 . . . . . 169 ILE N . 52487 1 976 . 1 . 1 170 170 VAL H H 1 7.932 0.003 . 1 . . . . . 170 VAL H . 52487 1 977 . 1 . 1 170 170 VAL HA H 1 4.660 0.000 . 1 . . . . . 170 VAL HA . 52487 1 978 . 1 . 1 170 170 VAL HB H 1 2.109 0.000 . 1 . . . . . 170 VAL HB . 52487 1 979 . 1 . 1 170 170 VAL C C 13 177.195 0.001 . 1 . . . . . 170 VAL C . 52487 1 980 . 1 . 1 170 170 VAL CA C 13 62.745 0.005 . 1 . . . . . 170 VAL CA . 52487 1 981 . 1 . 1 170 170 VAL CB C 13 32.746 0.012 . 1 . . . . . 170 VAL CB . 52487 1 982 . 1 . 1 170 170 VAL N N 15 122.694 0.005 . 1 . . . . . 170 VAL N . 52487 1 983 . 1 . 1 171 171 ARG H H 1 9.097 0.001 . 1 . . . . . 171 ARG H . 52487 1 984 . 1 . 1 171 171 ARG HA H 1 4.549 0.000 . 1 . . . . . 171 ARG HA . 52487 1 985 . 1 . 1 171 171 ARG C C 13 174.133 0.001 . 1 . . . . . 171 ARG C . 52487 1 986 . 1 . 1 171 171 ARG CA C 13 52.743 0.002 . 1 . . . . . 171 ARG CA . 52487 1 987 . 1 . 1 171 171 ARG CB C 13 28.777 0.007 . 1 . . . . . 171 ARG CB . 52487 1 988 . 1 . 1 171 171 ARG N N 15 129.013 0.017 . 1 . . . . . 171 ARG N . 52487 1 989 . 1 . 1 172 172 LYS H H 1 8.865 0.002 . 1 . . . . . 172 LYS H . 52487 1 990 . 1 . 1 172 172 LYS C C 13 176.213 0.001 . 1 . . . . . 172 LYS C . 52487 1 991 . 1 . 1 172 172 LYS CA C 13 56.719 0.009 . 1 . . . . . 172 LYS CA . 52487 1 992 . 1 . 1 172 172 LYS CB C 13 33.676 0.066 . 1 . . . . . 172 LYS CB . 52487 1 993 . 1 . 1 172 172 LYS CG C 13 25.853 0.000 . 1 . . . . . 172 LYS CG . 52487 1 994 . 1 . 1 172 172 LYS N N 15 124.739 0.014 . 1 . . . . . 172 LYS N . 52487 1 995 . 1 . 1 173 173 VAL H H 1 9.050 0.001 . 1 . . . . . 173 VAL H . 52487 1 996 . 1 . 1 173 173 VAL HA H 1 4.285 0.000 . 1 . . . . . 173 VAL HA . 52487 1 997 . 1 . 1 173 173 VAL HB H 1 1.939 0.000 . 1 . . . . . 173 VAL HB . 52487 1 998 . 1 . 1 173 173 VAL C C 13 173.947 0.032 . 1 . . . . . 173 VAL C . 52487 1 999 . 1 . 1 173 173 VAL CA C 13 60.742 0.012 . 1 . . . . . 173 VAL CA . 52487 1 1000 . 1 . 1 173 173 VAL CB C 13 33.776 0.018 . 1 . . . . . 173 VAL CB . 52487 1 1001 . 1 . 1 173 173 VAL CG1 C 13 22.444 0.000 . 1 . . . . . 173 VAL CG1 . 52487 1 1002 . 1 . 1 173 173 VAL N N 15 125.379 0.008 . 1 . . . . . 173 VAL N . 52487 1 1003 . 1 . 1 174 174 ASN H H 1 8.907 0.002 . 1 . . . . . 174 ASN H . 52487 1 1004 . 1 . 1 174 174 ASN C C 13 175.882 0.001 . 1 . . . . . 174 ASN C . 52487 1 1005 . 1 . 1 174 174 ASN CA C 13 52.845 0.063 . 1 . . . . . 174 ASN CA . 52487 1 1006 . 1 . 1 174 174 ASN CB C 13 38.740 0.017 . 1 . . . . . 174 ASN CB . 52487 1 1007 . 1 . 1 174 174 ASN N N 15 125.848 0.016 . 1 . . . . . 174 ASN N . 52487 1 1008 . 1 . 1 175 175 ALA H H 1 8.211 0.001 . 1 . . . . . 175 ALA H . 52487 1 1009 . 1 . 1 175 175 ALA C C 13 176.441 0.007 . 1 . . . . . 175 ALA C . 52487 1 1010 . 1 . 1 175 175 ALA CA C 13 51.754 0.002 . 1 . . . . . 175 ALA CA . 52487 1 1011 . 1 . 1 175 175 ALA CB C 13 18.750 0.004 . 1 . . . . . 175 ALA CB . 52487 1 1012 . 1 . 1 175 175 ALA N N 15 128.223 0.027 . 1 . . . . . 175 ALA N . 52487 1 1013 . 1 . 1 176 176 GLU H H 1 8.260 0.002 . 1 . . . . . 176 GLU H . 52487 1 1014 . 1 . 1 176 176 GLU HA H 1 4.150 0.000 . 1 . . . . . 176 GLU HA . 52487 1 1015 . 1 . 1 176 176 GLU HB2 H 1 2.078 0.000 . 2 . . . . . 176 GLU HB2 . 52487 1 1016 . 1 . 1 176 176 GLU HB3 H 1 1.991 0.000 . 2 . . . . . 176 GLU HB3 . 52487 1 1017 . 1 . 1 176 176 GLU C C 13 175.778 0.003 . 1 . . . . . 176 GLU C . 52487 1 1018 . 1 . 1 176 176 GLU CA C 13 57.701 0.036 . 1 . . . . . 176 GLU CA . 52487 1 1019 . 1 . 1 176 176 GLU CB C 13 29.779 0.007 . 1 . . . . . 176 GLU CB . 52487 1 1020 . 1 . 1 176 176 GLU N N 15 120.064 0.012 . 1 . . . . . 176 GLU N . 52487 1 1021 . 1 . 1 177 177 GLY H H 1 7.929 0.001 . 1 . . . . . 177 GLY H . 52487 1 1022 . 1 . 1 177 177 GLY HA2 H 1 4.029 0.000 . 2 . . . . . 177 GLY HA2 . 52487 1 1023 . 1 . 1 177 177 GLY HA3 H 1 3.950 0.000 . 2 . . . . . 177 GLY HA3 . 52487 1 1024 . 1 . 1 177 177 GLY C C 13 173.039 0.001 . 1 . . . . . 177 GLY C . 52487 1 1025 . 1 . 1 177 177 GLY CA C 13 43.769 0.020 . 1 . . . . . 177 GLY CA . 52487 1 1026 . 1 . 1 177 177 GLY N N 15 107.992 0.105 . 1 . . . . . 177 GLY N . 52487 1 1027 . 1 . 1 178 178 SER H H 1 8.461 0.001 . 1 . . . . . 178 SER H . 52487 1 1028 . 1 . 1 178 178 SER C C 13 175.126 0.002 . 1 . . . . . 178 SER C . 52487 1 1029 . 1 . 1 178 178 SER CA C 13 57.729 0.004 . 1 . . . . . 178 SER CA . 52487 1 1030 . 1 . 1 178 178 SER CB C 13 64.747 0.013 . 1 . . . . . 178 SER CB . 52487 1 1031 . 1 . 1 178 178 SER N N 15 115.355 0.016 . 1 . . . . . 178 SER N . 52487 1 1032 . 1 . 1 179 179 VAL H H 1 8.714 0.001 . 1 . . . . . 179 VAL H . 52487 1 1033 . 1 . 1 179 179 VAL C C 13 178.573 0.065 . 1 . . . . . 179 VAL C . 52487 1 1034 . 1 . 1 179 179 VAL CA C 13 66.736 0.000 . 1 . . . . . 179 VAL CA . 52487 1 1035 . 1 . 1 179 179 VAL CB C 13 31.752 0.006 . 1 . . . . . 179 VAL CB . 52487 1 1036 . 1 . 1 179 179 VAL N N 15 120.778 0.003 . 1 . . . . . 179 VAL N . 52487 1 1037 . 1 . 1 181 181 SER HA H 1 4.327 0.000 . 1 . . . . . 181 SER HA . 52487 1 1038 . 1 . 1 181 181 SER C C 13 178.073 0.000 . 1 . . . . . 181 SER C . 52487 1 1039 . 1 . 1 181 181 SER CB C 13 62.721 0.000 . 1 . . . . . 181 SER CB . 52487 1 1040 . 1 . 1 182 182 VAL H H 1 8.309 0.001 . 1 . . . . . 182 VAL H . 52487 1 1041 . 1 . 1 182 182 VAL C C 13 178.386 0.018 . 1 . . . . . 182 VAL C . 52487 1 1042 . 1 . 1 182 182 VAL CA C 13 66.736 0.003 . 1 . . . . . 182 VAL CA . 52487 1 1043 . 1 . 1 182 182 VAL CB C 13 31.041 0.000 . 1 . . . . . 182 VAL CB . 52487 1 1044 . 1 . 1 182 182 VAL N N 15 125.046 0.153 . 1 . . . . . 182 VAL N . 52487 1 1045 . 1 . 1 183 183 PHE H H 1 8.494 0.002 . 1 . . . . . 183 PHE H . 52487 1 1046 . 1 . 1 183 183 PHE C C 13 178.516 0.000 . 1 . . . . . 183 PHE C . 52487 1 1047 . 1 . 1 183 183 PHE CA C 13 60.698 0.012 . 1 . . . . . 183 PHE CA . 52487 1 1048 . 1 . 1 183 183 PHE CB C 13 38.761 0.000 . 1 . . . . . 183 PHE CB . 52487 1 1049 . 1 . 1 183 183 PHE N N 15 120.622 0.007 . 1 . . . . . 183 PHE N . 52487 1 1050 . 1 . 1 184 184 SER H H 1 8.287 0.001 . 1 . . . . . 184 SER H . 52487 1 1051 . 1 . 1 184 184 SER HA H 1 3.988 0.000 . 1 . . . . . 184 SER HA . 52487 1 1052 . 1 . 1 184 184 SER C C 13 177.208 0.000 . 1 . . . . . 184 SER C . 52487 1 1053 . 1 . 1 184 184 SER CA C 13 62.746 0.016 . 1 . . . . . 184 SER CA . 52487 1 1054 . 1 . 1 184 184 SER CB C 13 68.786 0.000 . 1 . . . . . 184 SER CB . 52487 1 1055 . 1 . 1 184 184 SER N N 15 115.372 0.021 . 1 . . . . . 184 SER N . 52487 1 1056 . 1 . 1 185 185 GLN H H 1 7.281 0.002 . 1 . . . . . 185 GLN H . 52487 1 1057 . 1 . 1 185 185 GLN C C 13 178.401 0.001 . 1 . . . . . 185 GLN C . 52487 1 1058 . 1 . 1 185 185 GLN CA C 13 58.719 0.026 . 1 . . . . . 185 GLN CA . 52487 1 1059 . 1 . 1 185 185 GLN CB C 13 30.743 0.003 . 1 . . . . . 185 GLN CB . 52487 1 1060 . 1 . 1 185 185 GLN N N 15 120.026 0.005 . 1 . . . . . 185 GLN N . 52487 1 1061 . 1 . 1 186 186 VAL H H 1 7.977 0.003 . 1 . . . . . 186 VAL H . 52487 1 1062 . 1 . 1 186 186 VAL C C 13 177.961 0.000 . 1 . . . . . 186 VAL C . 52487 1 1063 . 1 . 1 186 186 VAL CA C 13 67.712 0.000 . 1 . . . . . 186 VAL CA . 52487 1 1064 . 1 . 1 186 186 VAL CB C 13 31.854 0.000 . 1 . . . . . 186 VAL CB . 52487 1 1065 . 1 . 1 186 186 VAL CG1 C 13 21.494 0.000 . 1 . . . . . 186 VAL CG1 . 52487 1 1066 . 1 . 1 186 186 VAL N N 15 120.971 0.008 . 1 . . . . . 186 VAL N . 52487 1 1067 . 1 . 1 187 187 CYS H H 1 8.273 0.002 . 1 . . . . . 187 CYS H . 52487 1 1068 . 1 . 1 187 187 CYS C C 13 175.993 0.002 . 1 . . . . . 187 CYS C . 52487 1 1069 . 1 . 1 187 187 CYS CA C 13 62.799 0.064 . 1 . . . . . 187 CYS CA . 52487 1 1070 . 1 . 1 187 187 CYS CB C 13 26.762 0.010 . 1 . . . . . 187 CYS CB . 52487 1 1071 . 1 . 1 187 187 CYS N N 15 115.941 0.005 . 1 . . . . . 187 CYS N . 52487 1 1072 . 1 . 1 188 188 THR H H 1 7.378 0.001 . 1 . . . . . 188 THR H . 52487 1 1073 . 1 . 1 188 188 THR HA H 1 3.874 0.000 . 1 . . . . . 188 THR HA . 52487 1 1074 . 1 . 1 188 188 THR C C 13 176.716 0.023 . 1 . . . . . 188 THR C . 52487 1 1075 . 1 . 1 188 188 THR CA C 13 66.713 0.005 . 1 . . . . . 188 THR CA . 52487 1 1076 . 1 . 1 188 188 THR CB C 13 68.676 0.091 . 1 . . . . . 188 THR CB . 52487 1 1077 . 1 . 1 188 188 THR CG2 C 13 21.473 0.000 . 1 . . . . . 188 THR CG2 . 52487 1 1078 . 1 . 1 188 188 THR N N 15 114.974 0.008 . 1 . . . . . 188 THR N . 52487 1 1079 . 1 . 1 189 189 HIS H H 1 6.921 0.001 . 1 . . . . . 189 HIS H . 52487 1 1080 . 1 . 1 189 189 HIS C C 13 178.507 0.003 . 1 . . . . . 189 HIS C . 52487 1 1081 . 1 . 1 189 189 HIS CA C 13 57.738 0.013 . 1 . . . . . 189 HIS CA . 52487 1 1082 . 1 . 1 189 189 HIS CB C 13 30.758 0.011 . 1 . . . . . 189 HIS CB . 52487 1 1083 . 1 . 1 189 189 HIS N N 15 117.974 0.230 . 1 . . . . . 189 HIS N . 52487 1 1084 . 1 . 1 190 190 LEU H H 1 8.029 0.000 . 1 . . . . . 190 LEU H . 52487 1 1085 . 1 . 1 190 190 LEU C C 13 180.367 0.002 . 1 . . . . . 190 LEU C . 52487 1 1086 . 1 . 1 190 190 LEU CA C 13 57.588 0.085 . 1 . . . . . 190 LEU CA . 52487 1 1087 . 1 . 1 190 190 LEU CB C 13 39.751 0.009 . 1 . . . . . 190 LEU CB . 52487 1 1088 . 1 . 1 190 190 LEU CG C 13 26.985 0.000 . 1 . . . . . 190 LEU CG . 52487 1 1089 . 1 . 1 190 190 LEU N N 15 119.511 0.004 . 1 . . . . . 190 LEU N . 52487 1 1090 . 1 . 1 191 191 ASP H H 1 9.102 0.002 . 1 . . . . . 191 ASP H . 52487 1 1091 . 1 . 1 191 191 ASP HA H 1 4.548 0.000 . 1 . . . . . 191 ASP HA . 52487 1 1092 . 1 . 1 191 191 ASP HB2 H 1 2.707 0.000 . 1 . . . . . 191 ASP HB2 . 52487 1 1093 . 1 . 1 191 191 ASP C C 13 177.303 0.003 . 1 . . . . . 191 ASP C . 52487 1 1094 . 1 . 1 191 191 ASP CA C 13 56.749 0.013 . 1 . . . . . 191 ASP CA . 52487 1 1095 . 1 . 1 191 191 ASP CB C 13 39.748 0.008 . 1 . . . . . 191 ASP CB . 52487 1 1096 . 1 . 1 191 191 ASP N N 15 121.121 0.011 . 1 . . . . . 191 ASP N . 52487 1 1097 . 1 . 1 192 192 ALA H H 1 6.896 0.001 . 1 . . . . . 192 ALA H . 52487 1 1098 . 1 . 1 192 192 ALA HA H 1 4.323 0.000 . 1 . . . . . 192 ALA HA . 52487 1 1099 . 1 . 1 192 192 ALA HB1 H 1 1.547 0.000 . 1 . . . . . 192 ALA HB1 . 52487 1 1100 . 1 . 1 192 192 ALA HB2 H 1 1.547 0.000 . 1 . . . . . 192 ALA HB2 . 52487 1 1101 . 1 . 1 192 192 ALA HB3 H 1 1.547 0.000 . 1 . . . . . 192 ALA HB3 . 52487 1 1102 . 1 . 1 192 192 ALA C C 13 177.875 0.008 . 1 . . . . . 192 ALA C . 52487 1 1103 . 1 . 1 192 192 ALA CA C 13 52.742 0.006 . 1 . . . . . 192 ALA CA . 52487 1 1104 . 1 . 1 192 192 ALA CB C 13 18.760 0.004 . 1 . . . . . 192 ALA CB . 52487 1 1105 . 1 . 1 192 192 ALA N N 15 119.013 0.055 . 1 . . . . . 192 ALA N . 52487 1 1106 . 1 . 1 193 193 LEU H H 1 7.255 0.002 . 1 . . . . . 193 LEU H . 52487 1 1107 . 1 . 1 193 193 LEU HA H 1 4.319 0.000 . 1 . . . . . 193 LEU HA . 52487 1 1108 . 1 . 1 193 193 LEU HB2 H 1 1.510 0.000 . 2 . . . . . 193 LEU HB2 . 52487 1 1109 . 1 . 1 193 193 LEU HB3 H 1 1.919 0.000 . 2 . . . . . 193 LEU HB3 . 52487 1 1110 . 1 . 1 193 193 LEU C C 13 176.209 0.001 . 1 . . . . . 193 LEU C . 52487 1 1111 . 1 . 1 193 193 LEU CA C 13 54.761 0.013 . 1 . . . . . 193 LEU CA . 52487 1 1112 . 1 . 1 193 193 LEU CB C 13 41.757 0.014 . 1 . . . . . 193 LEU CB . 52487 1 1113 . 1 . 1 193 193 LEU N N 15 118.341 0.108 . 1 . . . . . 193 LEU N . 52487 1 1114 . 1 . 1 194 194 LYS H H 1 7.859 0.002 . 1 . . . . . 194 LYS H . 52487 1 1115 . 1 . 1 194 194 LYS C C 13 181.685 0.000 . 1 . . . . . 194 LYS C . 52487 1 1116 . 1 . 1 194 194 LYS CA C 13 57.749 0.000 . 1 . . . . . 194 LYS CA . 52487 1 1117 . 1 . 1 194 194 LYS CB C 13 33.753 0.000 . 1 . . . . . 194 LYS CB . 52487 1 1118 . 1 . 1 194 194 LYS N N 15 127.068 0.003 . 1 . . . . . 194 LYS N . 52487 1 stop_ save_