data_34421 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Staufen1 dsRBD3+4 - hARF1 SBS dsRNA complex. ; _BMRB_accession_number 34421 _BMRB_flat_file_name bmr34421.str _Entry_type original _Submission_date 2019-07-29 _Accession_date 2019-07-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yadav D. K. . 2 Lukavsky P. J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1205 "13C chemical shifts" 848 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-01-13 original BMRB . stop_ _Original_release_date 2020-01-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Staufen1 reads out structure and sequence features in ARF1 dsRNA for target recognition. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31875226 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yadav D. K. . 2 Zigackova D. . . 3 Zlobina M. . . 4 Klumpler T. . . 5 Beaumont C. . . 6 Kubickova M. . . 7 Vanacova S. . . 8 Lukavsky P. J. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_volume . _Journal_issue . _Journal_ASTM NARHAD _Journal_ISSN 1362-4962 _Journal_CSD 0389 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Double-stranded RNA-binding protein Staufen homolog 1/RNA Complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 19771.119 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 177 _Mol_residue_sequence ; GSHMKSEISQVFEIALKRNL PVNFEVARESGPPHMKNFVT KVSVGEFVGEGEGKSKKISK KNAAIAVLEELKKLPPLPAV ERVKPRIKKKTKPIVKPQTS PEYGQGINPISRLAQIQQAK KEKEPEYTLLTERGLPRRRE FVMQVKVGNHTAEGTGTNKK VAKRNAAENMLEILGFK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 98 GLY 2 99 SER 3 100 HIS 4 101 MET 5 102 LYS 6 103 SER 7 104 GLU 8 105 ILE 9 106 SER 10 107 GLN 11 108 VAL 12 109 PHE 13 110 GLU 14 111 ILE 15 112 ALA 16 113 LEU 17 114 LYS 18 115 ARG 19 116 ASN 20 117 LEU 21 118 PRO 22 119 VAL 23 120 ASN 24 121 PHE 25 122 GLU 26 123 VAL 27 124 ALA 28 125 ARG 29 126 GLU 30 127 SER 31 128 GLY 32 129 PRO 33 130 PRO 34 131 HIS 35 132 MET 36 133 LYS 37 134 ASN 38 135 PHE 39 136 VAL 40 137 THR 41 138 LYS 42 139 VAL 43 140 SER 44 141 VAL 45 142 GLY 46 143 GLU 47 144 PHE 48 145 VAL 49 146 GLY 50 147 GLU 51 148 GLY 52 149 GLU 53 150 GLY 54 151 LYS 55 152 SER 56 153 LYS 57 154 LYS 58 155 ILE 59 156 SER 60 157 LYS 61 158 LYS 62 159 ASN 63 160 ALA 64 161 ALA 65 162 ILE 66 163 ALA 67 164 VAL 68 165 LEU 69 166 GLU 70 167 GLU 71 168 LEU 72 169 LYS 73 170 LYS 74 171 LEU 75 172 PRO 76 173 PRO 77 174 LEU 78 175 PRO 79 176 ALA 80 177 VAL 81 178 GLU 82 179 ARG 83 180 VAL 84 181 LYS 85 182 PRO 86 183 ARG 87 184 ILE 88 185 LYS 89 186 LYS 90 187 LYS 91 188 THR 92 189 LYS 93 190 PRO 94 191 ILE 95 192 VAL 96 193 LYS 97 194 PRO 98 195 GLN 99 196 THR 100 197 SER 101 198 PRO 102 199 GLU 103 200 TYR 104 201 GLY 105 202 GLN 106 203 GLY 107 204 ILE 108 205 ASN 109 206 PRO 110 207 ILE 111 208 SER 112 209 ARG 113 210 LEU 114 211 ALA 115 212 GLN 116 213 ILE 117 214 GLN 118 215 GLN 119 216 ALA 120 217 LYS 121 218 LYS 122 219 GLU 123 220 LYS 124 221 GLU 125 222 PRO 126 223 GLU 127 224 TYR 128 225 THR 129 226 LEU 130 227 LEU 131 228 THR 132 229 GLU 133 230 ARG 134 231 GLY 135 232 LEU 136 233 PRO 137 234 ARG 138 235 ARG 139 236 ARG 140 237 GLU 141 238 PHE 142 239 VAL 143 240 MET 144 241 GLN 145 242 VAL 146 243 LYS 147 244 VAL 148 245 GLY 149 246 ASN 150 247 HIS 151 248 THR 152 249 ALA 153 250 GLU 154 251 GLY 155 252 THR 156 253 GLY 157 254 THR 158 255 ASN 159 256 LYS 160 257 LYS 161 258 VAL 162 259 ALA 163 260 LYS 164 261 ARG 165 262 ASN 166 263 ALA 167 264 ALA 168 265 GLU 169 266 ASN 170 267 MET 171 268 LEU 172 269 GLU 173 270 ILE 174 271 LEU 175 272 GLY 176 273 PHE 177 274 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common entity_2 _Molecular_mass 10899.479 _Mol_thiol_state 'not present' _Details . _Residue_count 34 _Mol_residue_sequence ; GGCAGAAGCUGCCUCUUCGG AGGCAGUUUCUGCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 C 4 A 5 G 6 A 7 A 8 G 9 C 10 U 11 G 12 C 13 C 14 U 15 C 16 U 17 U 18 C 19 G 20 G 21 A 22 G 23 G 24 C 25 A 26 G 27 U 28 U 29 U 30 C 31 U 32 G 33 C 34 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'STAU1, STAU' $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . $entity_2 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '310 uM [U-15N] Staufen1 dsRBD4, 310 uM Unlabelled hARF1, 90-95% H2O/5-10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 310 uM [U-15N] $entity_2 310 uM Unlabelled stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '405 uM [U-13C; U-15N] Staufen1 dsRBD4, 405 uM Unlabelled hARF1, 90-95% H2O/5-10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 405 uM '[U-13C; U-15N]' $entity_2 405 uM Unlabelled stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '310 uM Unlabelled hARF1, 90-95% H2O/5-10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 310 uM Unlabelled stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '478 uM [U-13C] hARF1, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 478 uM [U-13C] stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '354 uM [U-15N] Staufen1 dsRBD4, 354 uM [U-13C] hARF1, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 354 uM [U-15N] $entity_2 354 uM [U-13C] stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details '451 uM [U-13C; U-15N] Staufen1 dsRDB4, 451 uM Unlabelled hARF1, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 451 uM '[U-13C; U-15N]' $entity_2 451 uM Unlabelled stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details '310 uM Unlabelled hARF1, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 310 uM Unlabelled stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details '417 uM [U-15N] Staufen1 dsRBD3, 417 uM Unlabelled hARF1, 90-95% H2O/5-10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 417 uM [U-15N] $entity_2 417 uM Unlabelled stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type solution _Details '458 uM [U-13C; U-15N] Staufen1 dsRBD3, 458 uM Unlabelled hARF1, 90-95% H2O/5-10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 458 uM Unlabelled $entity_1 458 uM '[U-13C; U-15N]' stop_ save_ save_sample_10 _Saveframe_category sample _Sample_type solution _Details '458 uM [U-13C; U-15N] Staufen1 dsRBD3, 458 uM Unlabelled hARF1, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 458 uM Unlabelled $entity_1 458 uM '[U-13C; U-15N]' stop_ save_ save_sample_11 _Saveframe_category sample _Sample_type solution _Details '157 uM [U-13C; U-15N] Staufen1 dsRBD3, 157 uM Unlabelled Staufen1 dsRBD4, 157 uM Unlabelled hARF1, 100% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 157 uM Unlabelled $entity_2 157 uM Unlabelled $entity_1 157 uM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name Amber _Version AMBER14 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version cyana-3.98.5 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CARA _Version cara_1.8.4 loop_ _Vendor _Address _Electronic_address 'Keller, Damberger and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Sparky _Version SPARKY3 loop_ _Vendor _Address _Electronic_address 'Goddard and Kneller' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name ATNOS-CANDID _Version 'UNIO 2.0.3' loop_ _Vendor _Address _Electronic_address 'Herrmann and Guntert' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TopSpin _Version TOPSPIN3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_7 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_8 _Saveframe_category software _Name 'PROCHECK / PROCHECK-NMR' _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Thornton' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 700 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 850 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HcccoNH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HcccoNH-TOCSY' _Sample_label $sample_2 save_ save_3D_CccoNH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CccoNH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H,_13C_2F-filtered_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H, 13C 2F-filtered NOESY' _Sample_label $sample_6 save_ save_3D_13C_1F-filtered_2F-edited_HSQC-NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C 1F-filtered 2F-edited HSQC-NOESY' _Sample_label $sample_6 save_ save_3D_1H-13C_NOESY_ribose_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY ribose' _Sample_label $sample_5 save_ save_2D_1H-1H_TOCSY_19 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_20 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_21 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aliphatic_24 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_4 save_ save_2D_13C_1F-filtered_2F-filtered_NOESY_25 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 13C 1F-filtered 2F-filtered NOESY' _Sample_label $sample_6 save_ save_2D_1H-13C_HSQC_26 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_5 save_ save_2D_1H-1H_TOCSY_27 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_7 save_ save_2D_1H-1H_NOESY_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_7 save_ save_3D_HCCH-COSY_aromatic_29 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY aromatic' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_30 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_8 save_ save_2D_1H-15N_HSQC_31 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_8 save_ save_2D_1H-15N_HSQC_32 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_8 save_ save_2D_1H-13C_HSQC_aliphatic_33 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_9 save_ save_2D_1H-13C_HSQC_aliphatic_34 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_9 save_ save_3D_HNCA_35 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_9 save_ save_3D_HNCO_36 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_9 save_ save_3D_CBCA(CO)NH_37 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_9 save_ save_3D_HNCACB_38 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_9 save_ save_3D_HBHA(CO)NH_39 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_9 save_ save_3D_HA(CO)NH_40 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HA(CO)NH' _Sample_label $sample_9 save_ save_3D_HcccoNH-TOCSY_41 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HcccoNH-TOCSY' _Sample_label $sample_9 save_ save_3D_CccoNH-TOCSY_42 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CccoNH-TOCSY' _Sample_label $sample_9 save_ save_3D_HCCH-TOCSY_43 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_10 save_ save_3D_HCCH-TOCSY_44 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_10 save_ save_3D_1H-13C_NOESY_aliphatic_45 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_9 save_ save_3D_1H-13C_NOESY_aromatic_46 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_9 save_ save_2D_1H-13C_HSQC_aliphatic_47 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_10 save_ save_2D_1H-13C_HSQC_aromatic_48 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_10 save_ save_2D_1H-13C_HSQC_aromatic_49 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_9 save_ save_3D_1H-15N_NOESY_50 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_8 save_ save_2D_1H-1H,_13C_2F-filtered_NOESY_51 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H, 13C 2F-filtered NOESY' _Sample_label $sample_11 save_ save_2D_1H-1H,_13C_1F-filtered_2F-filtered_NOESY_52 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H, 13C 1F-filtered 2F-filtered NOESY' _Sample_label $sample_11 save_ save_3D_13C_1F-filtered_2F-edited_HSQC-NOESY_53 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C 1F-filtered 2F-edited HSQC-NOESY' _Sample_label $sample_11 save_ save_2D_1H-13C_HSQC_aromatic_54 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_55 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_56 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_6 save_ save_2D_1H-13C_HSQC_aromatic_57 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_ribose_58 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC ribose' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_aromatic_59 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_5 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl carbons' ppm 0.000 na indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 na indirect . . . 1.0 DSS N 15 nitrogen ppm 0.000 na indirect . . . 0.10132912 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCA' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HcccoNH-TOCSY' '3D CccoNH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' '2D 1H-1H, 13C 2F-filtered NOESY' '3D 13C 1F-filtered 2F-edited HSQC-NOESY' '3D 1H-13C NOESY ribose' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '2D 13C 1F-filtered 2F-filtered NOESY' '3D HCCH-COSY aromatic' '3D HA(CO)NH' '2D 1H-13C HSQC aromatic' '2D 1H-1H, 13C 1F-filtered 2F-filtered NOESY' '2D 1H-13C HSQC ribose' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_6 $sample_5 $sample_3 $sample_4 $sample_7 $sample_8 $sample_9 $sample_10 $sample_11 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 98 1 GLY H H 8.183 0.000 . 2 98 1 GLY HA2 H 4.568 0.000 . 3 98 1 GLY HA3 H 3.869 0.000 . 4 98 1 GLY CA C 43.933 0.000 . 5 98 1 GLY N N 108.007 0.000 . 6 100 3 HIS H H 8.498 0.000 . 7 100 3 HIS HA H 4.741 0.000 . 8 100 3 HIS HB2 H 3.261 0.000 . 9 100 3 HIS HB3 H 3.158 0.000 . 10 100 3 HIS HD2 H 7.107 0.000 . 11 100 3 HIS HE1 H 8.142 0.000 . 12 100 3 HIS CA C 55.853 0.000 . 13 100 3 HIS CB C 30.273 0.000 . 14 100 3 HIS CD2 C 121.653 0.000 . 15 100 3 HIS CE1 C 138.494 0.000 . 16 100 3 HIS N N 122.447 0.000 . 17 101 4 MET HA H 4.474 0.000 . 18 101 4 MET HB2 H 2.065 0.000 . 19 101 4 MET HB3 H 2.005 0.000 . 20 101 4 MET HG2 H 2.572 0.000 . 21 101 4 MET HG3 H 2.522 0.000 . 22 101 4 MET HE H 2.132 0.000 . 23 101 4 MET CA C 55.383 0.000 . 24 101 4 MET CB C 33.002 0.000 . 25 101 4 MET CG C 31.908 0.000 . 26 101 4 MET CE C 16.922 0.000 . 27 103 6 SER H H 7.718 0.000 . 28 103 6 SER HA H 4.998 0.000 . 29 103 6 SER HB2 H 4.453 0.000 . 30 103 6 SER HB3 H 3.922 0.000 . 31 103 6 SER CA C 57.387 0.000 . 32 103 6 SER CB C 65.765 0.000 . 33 103 6 SER N N 113.981 0.000 . 34 104 7 GLU H H 10.364 0.000 . 35 104 7 GLU HA H 3.957 0.000 . 36 104 7 GLU HB2 H 2.074 0.000 . 37 104 7 GLU HB3 H 1.808 0.000 . 38 104 7 GLU HG2 H 2.692 0.000 . 39 104 7 GLU HG3 H 2.273 0.000 . 40 104 7 GLU C C 178.376 0.000 . 41 104 7 GLU CA C 61.893 0.000 . 42 104 7 GLU CB C 28.122 0.000 . 43 104 7 GLU CG C 37.509 0.000 . 44 104 7 GLU N N 127.406 0.000 . 45 105 8 ILE H H 8.347 0.000 . 46 105 8 ILE HA H 3.562 0.000 . 47 105 8 ILE HB H 1.596 0.000 . 48 105 8 ILE HG12 H 0.729 0.000 . 49 105 8 ILE HG13 H 0.729 0.000 . 50 105 8 ILE HG2 H 1.091 0.000 . 51 105 8 ILE HD1 H 0.851 0.000 . 52 105 8 ILE C C 177.493 0.000 . 53 105 8 ILE CA C 66.248 0.000 . 54 105 8 ILE CB C 39.097 0.000 . 55 105 8 ILE CG1 C 30.654 0.000 . 56 105 8 ILE CG2 C 18.840 0.000 . 57 105 8 ILE CD1 C 14.659 0.000 . 58 105 8 ILE N N 117.851 0.000 . 59 106 9 SER H H 7.345 0.000 . 60 106 9 SER HA H 4.455 0.000 . 61 106 9 SER HB2 H 4.192 0.000 . 62 106 9 SER HB3 H 4.192 0.000 . 63 106 9 SER C C 176.259 0.000 . 64 106 9 SER CA C 62.693 0.000 . 65 106 9 SER CB C 61.783 0.000 . 66 106 9 SER N N 114.566 0.000 . 67 107 10 GLN H H 8.285 0.000 . 68 107 10 GLN HA H 3.999 0.000 . 69 107 10 GLN HB2 H 2.304 0.000 . 70 107 10 GLN HB3 H 2.203 0.000 . 71 107 10 GLN HG2 H 2.514 0.000 . 72 107 10 GLN HG3 H 2.296 0.000 . 73 107 10 GLN HE21 H 7.728 0.000 . 74 107 10 GLN HE22 H 6.979 0.000 . 75 107 10 GLN C C 177.858 0.000 . 76 107 10 GLN CA C 59.924 0.000 . 77 107 10 GLN CB C 29.619 0.000 . 78 107 10 GLN CG C 34.909 0.000 . 79 107 10 GLN N N 119.763 0.000 . 80 107 10 GLN NE2 N 110.907 0.000 . 81 108 11 VAL H H 7.951 0.000 . 82 108 11 VAL HA H 3.355 0.000 . 83 108 11 VAL HB H 2.498 0.000 . 84 108 11 VAL HG1 H 1.091 0.000 . 85 108 11 VAL HG2 H 0.556 0.000 . 86 108 11 VAL C C 177.051 0.000 . 87 108 11 VAL CA C 67.726 0.000 . 88 108 11 VAL CB C 31.132 0.000 . 89 108 11 VAL CG1 C 25.501 0.000 . 90 108 11 VAL CG2 C 22.126 0.000 . 91 108 11 VAL N N 119.085 0.000 . 92 109 12 PHE H H 7.878 0.000 . 93 109 12 PHE HA H 4.154 0.000 . 94 109 12 PHE HB2 H 3.302 0.000 . 95 109 12 PHE HB3 H 3.193 0.000 . 96 109 12 PHE HD1 H 7.062 0.000 . 97 109 12 PHE HD2 H 7.062 0.000 . 98 109 12 PHE HE1 H 7.397 0.000 . 99 109 12 PHE HE2 H 7.397 0.000 . 100 109 12 PHE HZ H 7.333 0.000 . 101 109 12 PHE C C 178.879 0.000 . 102 109 12 PHE CA C 63.865 0.000 . 103 109 12 PHE CB C 39.679 0.000 . 104 109 12 PHE CD1 C 132.031 0.000 . 105 109 12 PHE CE1 C 131.670 0.000 . 106 109 12 PHE CZ C 131.435 0.000 . 107 109 12 PHE N N 116.249 0.000 . 108 110 13 GLU H H 8.567 0.000 . 109 110 13 GLU HA H 4.142 0.000 . 110 110 13 GLU HB2 H 2.164 0.000 . 111 110 13 GLU HB3 H 2.164 0.000 . 112 110 13 GLU HG2 H 2.764 0.000 . 113 110 13 GLU HG3 H 2.357 0.000 . 114 110 13 GLU C C 179.732 0.000 . 115 110 13 GLU CA C 60.181 0.000 . 116 110 13 GLU CB C 29.809 0.000 . 117 110 13 GLU CG C 36.388 0.000 . 118 110 13 GLU N N 119.558 0.000 . 119 111 14 ILE H H 8.295 0.000 . 120 111 14 ILE HA H 3.713 0.000 . 121 111 14 ILE HB H 1.780 0.000 . 122 111 14 ILE HG12 H 1.042 0.000 . 123 111 14 ILE HG13 H 1.042 0.000 . 124 111 14 ILE HG2 H 0.837 0.000 . 125 111 14 ILE HD1 H 0.772 0.000 . 126 111 14 ILE C C 177.752 0.000 . 127 111 14 ILE CA C 65.295 0.000 . 128 111 14 ILE CB C 38.564 0.000 . 129 111 14 ILE CG1 C 29.517 0.000 . 130 111 14 ILE CG2 C 17.773 0.000 . 131 111 14 ILE CD1 C 14.253 0.000 . 132 111 14 ILE N N 120.450 0.000 . 133 112 15 ALA H H 8.511 0.000 . 134 112 15 ALA HA H 3.734 0.000 . 135 112 15 ALA HB H 1.532 0.000 . 136 112 15 ALA C C 179.976 0.000 . 137 112 15 ALA CA C 56.133 0.000 . 138 112 15 ALA CB C 19.095 0.000 . 139 112 15 ALA N N 121.532 0.000 . 140 113 16 LEU H H 8.208 0.000 . 141 113 16 LEU HA H 4.339 0.000 . 142 113 16 LEU HB2 H 2.044 0.000 . 143 113 16 LEU HB3 H 1.883 0.000 . 144 113 16 LEU HG H 1.909 0.000 . 145 113 16 LEU HD1 H 1.155 0.000 . 146 113 16 LEU HD2 H 1.078 0.000 . 147 113 16 LEU C C 180.966 0.000 . 148 113 16 LEU CA C 58.108 0.000 . 149 113 16 LEU CB C 41.836 0.000 . 150 113 16 LEU CG C 27.603 0.000 . 151 113 16 LEU CD1 C 24.703 0.000 . 152 113 16 LEU CD2 C 24.509 0.000 . 153 113 16 LEU N N 117.564 0.000 . 154 114 17 LYS H H 7.546 0.000 . 155 114 17 LYS HA H 4.160 0.000 . 156 114 17 LYS HB2 H 2.070 0.000 . 157 114 17 LYS HB3 H 1.947 0.000 . 158 114 17 LYS HG2 H 1.697 0.000 . 159 114 17 LYS HG3 H 1.610 0.000 . 160 114 17 LYS HD2 H 1.750 0.000 . 161 114 17 LYS HD3 H 1.750 0.000 . 162 114 17 LYS HE2 H 3.046 0.000 . 163 114 17 LYS HE3 H 3.046 0.000 . 164 114 17 LYS C C 178.026 0.000 . 165 114 17 LYS CA C 58.534 0.000 . 166 114 17 LYS CB C 32.592 0.000 . 167 114 17 LYS CG C 25.428 0.000 . 168 114 17 LYS CD C 28.921 0.000 . 169 114 17 LYS CE C 42.220 0.000 . 170 114 17 LYS N N 118.624 0.000 . 171 115 18 ARG H H 7.854 0.000 . 172 115 18 ARG HA H 4.377 0.000 . 173 115 18 ARG HB2 H 1.544 0.000 . 174 115 18 ARG HB3 H 1.544 0.000 . 175 115 18 ARG HG2 H 1.750 0.000 . 176 115 18 ARG HG3 H 1.661 0.000 . 177 115 18 ARG HD2 H 3.166 0.000 . 178 115 18 ARG HD3 H 2.972 0.000 . 179 115 18 ARG C C 174.552 0.000 . 180 115 18 ARG CA C 55.396 0.000 . 181 115 18 ARG CB C 30.705 0.000 . 182 115 18 ARG CG C 28.849 0.000 . 183 115 18 ARG CD C 42.946 0.000 . 184 115 18 ARG N N 114.634 0.000 . 185 116 19 ASN H H 7.942 0.000 . 186 116 19 ASN HA H 4.435 0.000 . 187 116 19 ASN HB2 H 3.231 0.000 . 188 116 19 ASN HB3 H 2.741 0.000 . 189 116 19 ASN HD21 H 7.469 0.000 . 190 116 19 ASN HD22 H 6.784 0.000 . 191 116 19 ASN C C 173.897 0.000 . 192 116 19 ASN CA C 54.169 0.000 . 193 116 19 ASN CB C 37.314 0.000 . 194 116 19 ASN N N 117.837 0.000 . 195 116 19 ASN ND2 N 111.462 0.000 . 196 117 20 LEU H H 8.582 0.000 . 197 117 20 LEU HA H 4.993 0.000 . 198 117 20 LEU HB2 H 1.503 0.000 . 199 117 20 LEU HB3 H 1.188 0.000 . 200 117 20 LEU HG H 1.645 0.000 . 201 117 20 LEU HD1 H 1.016 0.000 . 202 117 20 LEU HD2 H 0.865 0.000 . 203 117 20 LEU CA C 51.107 0.000 . 204 117 20 LEU CB C 44.118 0.000 . 205 117 20 LEU CG C 25.875 0.000 . 206 117 20 LEU CD1 C 23.035 0.000 . 207 117 20 LEU CD2 C 25.574 0.000 . 208 117 20 LEU N N 118.843 0.000 . 209 118 21 PRO HA H 4.553 0.000 . 210 118 21 PRO HB2 H 2.247 0.000 . 211 118 21 PRO HB3 H 1.926 0.000 . 212 118 21 PRO HG2 H 2.113 0.000 . 213 118 21 PRO HG3 H 2.113 0.000 . 214 118 21 PRO HD2 H 3.922 0.000 . 215 118 21 PRO HD3 H 3.553 0.000 . 216 118 21 PRO C C 176.228 0.000 . 217 118 21 PRO CA C 62.321 0.000 . 218 118 21 PRO CB C 32.012 0.000 . 219 118 21 PRO CG C 27.188 0.000 . 220 118 21 PRO CD C 50.458 0.000 . 221 119 22 VAL H H 8.375 0.000 . 222 119 22 VAL HA H 4.831 0.000 . 223 119 22 VAL HB H 1.806 0.000 . 224 119 22 VAL HG1 H 0.546 0.000 . 225 119 22 VAL HG2 H 0.346 0.000 . 226 119 22 VAL C C 175.375 0.000 . 227 119 22 VAL CA C 60.499 0.000 . 228 119 22 VAL CB C 33.988 0.000 . 229 119 22 VAL CG1 C 22.483 0.000 . 230 119 22 VAL CG2 C 21.658 0.000 . 231 119 22 VAL N N 121.638 0.000 . 232 120 23 ASN H H 8.537 0.000 . 233 120 23 ASN HA H 5.078 0.000 . 234 120 23 ASN HB2 H 2.718 0.000 . 235 120 23 ASN HB3 H 2.636 0.000 . 236 120 23 ASN HD21 H 7.594 0.000 . 237 120 23 ASN HD22 H 6.613 0.000 . 238 120 23 ASN C C 173.577 0.000 . 239 120 23 ASN CA C 53.318 0.000 . 240 120 23 ASN CB C 42.211 0.000 . 241 120 23 ASN N N 124.314 0.000 . 242 120 23 ASN ND2 N 111.119 0.000 . 243 121 24 PHE H H 9.074 0.000 . 244 121 24 PHE HA H 5.023 0.000 . 245 121 24 PHE HB2 H 3.160 0.000 . 246 121 24 PHE HB3 H 2.670 0.000 . 247 121 24 PHE HD1 H 7.161 0.000 . 248 121 24 PHE HD2 H 7.161 0.000 . 249 121 24 PHE HE1 H 7.642 0.000 . 250 121 24 PHE HE2 H 7.642 0.000 . 251 121 24 PHE HZ H 7.273 0.000 . 252 121 24 PHE C C 175.086 0.000 . 253 121 24 PHE CA C 57.811 0.000 . 254 121 24 PHE CB C 41.455 0.000 . 255 121 24 PHE CD1 C 132.630 0.000 . 256 121 24 PHE CE1 C 131.777 0.000 . 257 121 24 PHE CZ C 130.001 0.000 . 258 121 24 PHE N N 124.727 0.000 . 259 122 25 GLU H H 9.213 0.000 . 260 122 25 GLU HA H 4.765 0.000 . 261 122 25 GLU HB2 H 2.066 0.000 . 262 122 25 GLU HB3 H 1.948 0.000 . 263 122 25 GLU HG2 H 2.221 0.000 . 264 122 25 GLU HG3 H 2.114 0.000 . 265 122 25 GLU C C 175.040 0.000 . 266 122 25 GLU CA C 55.424 0.000 . 267 122 25 GLU CB C 33.238 0.000 . 268 122 25 GLU CG C 36.324 0.000 . 269 122 25 GLU N N 122.805 0.000 . 270 123 26 VAL H H 8.911 0.000 . 271 123 26 VAL HA H 4.650 0.000 . 272 123 26 VAL HB H 2.043 0.000 . 273 123 26 VAL HG1 H 1.009 0.000 . 274 123 26 VAL HG2 H 1.009 0.000 . 275 123 26 VAL C C 176.320 0.000 . 276 123 26 VAL CA C 61.545 0.000 . 277 123 26 VAL CB C 32.245 0.000 . 278 123 26 VAL CG1 C 21.694 0.000 . 279 123 26 VAL CG2 C 21.548 0.000 . 280 123 26 VAL N N 129.811 0.000 . 281 124 27 ALA H H 9.208 0.000 . 282 124 27 ALA HA H 4.419 0.000 . 283 124 27 ALA HB H 1.476 0.000 . 284 124 27 ALA C C 172.084 0.000 . 285 124 27 ALA CA C 52.822 0.000 . 286 124 27 ALA CB C 17.992 0.000 . 287 124 27 ALA N N 132.574 0.000 . 288 125 28 ARG H H 8.958 0.000 . 289 125 28 ARG HA H 4.415 0.000 . 290 125 28 ARG HB2 H 1.431 0.000 . 291 125 28 ARG HB3 H 1.372 0.000 . 292 125 28 ARG HG2 H 1.909 0.000 . 293 125 28 ARG HG3 H 1.909 0.000 . 294 125 28 ARG HD2 H 3.116 0.000 . 295 125 28 ARG HD3 H 2.805 0.000 . 296 125 28 ARG C C 172.534 0.000 . 297 125 28 ARG CA C 56.210 0.000 . 298 125 28 ARG CB C 28.821 0.000 . 299 125 28 ARG CG C 27.190 0.000 . 300 125 28 ARG CD C 41.243 0.000 . 301 125 28 ARG N N 128.115 0.000 . 302 126 29 GLU H H 8.634 0.000 . 303 126 29 GLU HA H 4.737 0.000 . 304 126 29 GLU HB2 H 2.227 0.000 . 305 126 29 GLU HB3 H 2.042 0.000 . 306 126 29 GLU HG2 H 1.805 0.000 . 307 126 29 GLU HG3 H 1.805 0.000 . 308 126 29 GLU C C 174.045 0.000 . 309 126 29 GLU CA C 57.745 0.000 . 310 126 29 GLU CB C 32.533 0.000 . 311 126 29 GLU CG C 35.841 0.000 . 312 126 29 GLU N N 117.710 0.000 . 313 127 30 SER H H 7.522 0.000 . 314 127 30 SER HA H 4.998 0.000 . 315 127 30 SER HB2 H 4.425 0.000 . 316 127 30 SER HB3 H 3.884 0.000 . 317 127 30 SER CA C 54.829 0.000 . 318 127 30 SER CB C 67.792 0.000 . 319 127 30 SER N N 110.734 0.000 . 320 129 32 PRO HA H 4.734 0.000 . 321 129 32 PRO HB2 H 2.419 0.000 . 322 129 32 PRO HB3 H 1.946 0.000 . 323 129 32 PRO HG2 H 2.046 0.000 . 324 129 32 PRO HG3 H 2.046 0.000 . 325 129 32 PRO HD2 H 3.827 0.000 . 326 129 32 PRO HD3 H 3.653 0.000 . 327 129 32 PRO CA C 61.418 0.000 . 328 129 32 PRO CB C 30.693 0.000 . 329 129 32 PRO CG C 27.483 0.000 . 330 129 32 PRO CD C 50.441 0.000 . 331 130 33 PRO HA H 4.471 0.000 . 332 130 33 PRO HB2 H 2.046 0.000 . 333 130 33 PRO HB3 H 2.000 0.000 . 334 130 33 PRO HG2 H 1.665 0.000 . 335 130 33 PRO HG3 H 0.964 0.000 . 336 130 33 PRO HD2 H 3.364 0.000 . 337 130 33 PRO HD3 H 3.035 0.000 . 338 130 33 PRO C C 175.512 0.000 . 339 130 33 PRO CA C 63.868 0.000 . 340 130 33 PRO CB C 33.413 0.000 . 341 130 33 PRO CG C 23.931 0.000 . 342 130 33 PRO CD C 49.523 0.000 . 343 131 34 HIS H H 8.216 0.000 . 344 131 34 HIS HA H 4.338 0.000 . 345 131 34 HIS HB2 H 3.204 0.000 . 346 131 34 HIS HB3 H 3.115 0.000 . 347 131 34 HIS HD2 H 7.102 0.000 . 348 131 34 HIS HE1 H 8.233 0.000 . 349 131 34 HIS CA C 58.096 0.000 . 350 131 34 HIS CB C 30.756 0.000 . 351 131 34 HIS CD2 C 120.741 0.000 . 352 131 34 HIS CE1 C 137.845 0.000 . 353 131 34 HIS N N 124.620 0.000 . 354 132 35 MET H H 7.655 0.000 . 355 132 35 MET HA H 4.530 0.000 . 356 132 35 MET HG2 H 2.540 0.000 . 357 132 35 MET HG3 H 2.443 0.000 . 358 132 35 MET HE H 2.126 0.000 . 359 132 35 MET CA C 58.378 0.000 . 360 132 35 MET CG C 30.638 0.000 . 361 132 35 MET CE C 16.780 0.000 . 362 132 35 MET N N 114.756 0.000 . 363 133 36 LYS H H 8.183 0.000 . 364 133 36 LYS HA H 3.976 0.000 . 365 133 36 LYS HG2 H 1.465 0.000 . 366 133 36 LYS HG3 H 1.430 0.000 . 367 133 36 LYS HD2 H 1.762 0.000 . 368 133 36 LYS HD3 H 1.723 0.000 . 369 133 36 LYS HE2 H 3.031 0.000 . 370 133 36 LYS HE3 H 3.031 0.000 . 371 133 36 LYS C C 176.853 0.000 . 372 133 36 LYS CA C 59.087 0.000 . 373 133 36 LYS CB C 32.516 0.000 . 374 133 36 LYS CG C 24.790 0.000 . 375 133 36 LYS CD C 29.010 0.000 . 376 133 36 LYS CE C 42.200 0.000 . 377 133 36 LYS N N 118.501 0.000 . 378 134 37 ASN H H 8.376 0.000 . 379 134 37 ASN HA H 4.832 0.000 . 380 134 37 ASN HB2 H 2.539 0.000 . 381 134 37 ASN HB3 H 2.438 0.000 . 382 134 37 ASN HD21 H 7.537 0.000 . 383 134 37 ASN HD22 H 6.858 0.000 . 384 134 37 ASN C C 173.318 0.000 . 385 134 37 ASN CA C 52.921 0.000 . 386 134 37 ASN CB C 42.081 0.000 . 387 134 37 ASN N N 118.396 0.000 . 388 134 37 ASN ND2 N 112.617 0.000 . 389 135 38 PHE H H 8.883 0.000 . 390 135 38 PHE HA H 5.128 0.000 . 391 135 38 PHE HB2 H 2.764 0.000 . 392 135 38 PHE HB3 H 2.764 0.000 . 393 135 38 PHE HD1 H 6.952 0.000 . 394 135 38 PHE HD2 H 6.952 0.000 . 395 135 38 PHE HE1 H 7.601 0.000 . 396 135 38 PHE HE2 H 7.601 0.000 . 397 135 38 PHE HZ H 7.453 0.000 . 398 135 38 PHE C C 175.558 0.000 . 399 135 38 PHE CA C 57.528 0.000 . 400 135 38 PHE CB C 41.677 0.000 . 401 135 38 PHE CD1 C 131.508 0.000 . 402 135 38 PHE CE1 C 131.746 0.000 . 403 135 38 PHE CZ C 129.947 0.000 . 404 135 38 PHE N N 121.651 0.000 . 405 136 39 VAL H H 9.076 0.000 . 406 136 39 VAL HA H 4.860 0.000 . 407 136 39 VAL HB H 1.909 0.000 . 408 136 39 VAL HG1 H 0.967 0.000 . 409 136 39 VAL HG2 H 0.929 0.000 . 410 136 39 VAL C C 174.766 0.000 . 411 136 39 VAL CA C 61.753 0.000 . 412 136 39 VAL CB C 34.489 0.000 . 413 136 39 VAL CG1 C 20.968 0.000 . 414 136 39 VAL CG2 C 20.794 0.000 . 415 136 39 VAL N N 124.101 0.000 . 416 137 40 THR H H 8.990 0.000 . 417 137 40 THR HA H 5.121 0.000 . 418 137 40 THR HB H 3.695 0.000 . 419 137 40 THR HG2 H 1.174 0.000 . 420 137 40 THR C C 172.389 0.000 . 421 137 40 THR CA C 61.968 0.000 . 422 137 40 THR CB C 70.612 0.000 . 423 137 40 THR CG2 C 22.258 0.000 . 424 137 40 THR N N 123.062 0.000 . 425 138 41 LYS H H 8.941 0.000 . 426 138 41 LYS HA H 5.202 0.000 . 427 138 41 LYS HB2 H 1.888 0.000 . 428 138 41 LYS HB3 H 1.812 0.000 . 429 138 41 LYS HG2 H 1.449 0.000 . 430 138 41 LYS HG3 H 1.339 0.000 . 431 138 41 LYS HD2 H 1.659 0.000 . 432 138 41 LYS HD3 H 1.659 0.000 . 433 138 41 LYS HE2 H 2.880 0.000 . 434 138 41 LYS HE3 H 2.880 0.000 . 435 138 41 LYS C C 174.827 0.000 . 436 138 41 LYS CA C 54.488 0.000 . 437 138 41 LYS CB C 35.331 0.000 . 438 138 41 LYS CG C 25.228 0.000 . 439 138 41 LYS CD C 29.436 0.000 . 440 138 41 LYS CE C 41.940 0.000 . 441 138 41 LYS N N 126.669 0.000 . 442 139 42 VAL H H 9.251 0.000 . 443 139 42 VAL HA H 5.266 0.000 . 444 139 42 VAL HB H 1.239 0.000 . 445 139 42 VAL HG1 H 0.511 0.000 . 446 139 42 VAL HG2 H -0.325 0.000 . 447 139 42 VAL C C 172.161 0.000 . 448 139 42 VAL CA C 57.268 0.000 . 449 139 42 VAL CB C 35.205 0.000 . 450 139 42 VAL CG1 C 20.097 0.000 . 451 139 42 VAL CG2 C 20.858 0.000 . 452 139 42 VAL N N 125.058 0.000 . 453 140 43 SER H H 8.281 0.000 . 454 140 43 SER HA H 5.373 0.000 . 455 140 43 SER HB2 H 3.797 0.000 . 456 140 43 SER HB3 H 3.716 0.000 . 457 140 43 SER C C 173.577 0.000 . 458 140 43 SER CA C 55.769 0.000 . 459 140 43 SER CB C 65.387 0.000 . 460 140 43 SER N N 121.291 0.000 . 461 141 44 VAL H H 8.946 0.000 . 462 141 44 VAL HA H 4.830 0.000 . 463 141 44 VAL HB H 1.966 0.000 . 464 141 44 VAL HG1 H 0.781 0.000 . 465 141 44 VAL HG2 H 0.658 0.000 . 466 141 44 VAL C C 176.226 0.000 . 467 141 44 VAL CA C 60.215 0.000 . 468 141 44 VAL CB C 32.655 0.000 . 469 141 44 VAL CG1 C 22.275 0.000 . 470 141 44 VAL CG2 C 22.318 0.000 . 471 141 44 VAL N N 125.535 0.000 . 472 142 45 GLY H H 8.481 0.000 . 473 142 45 GLY HA2 H 4.090 0.000 . 474 142 45 GLY HA3 H 3.687 0.000 . 475 142 45 GLY C C 174.659 0.000 . 476 142 45 GLY CA C 47.614 0.000 . 477 142 45 GLY N N 112.184 0.000 . 478 143 46 GLU H H 8.920 0.000 . 479 143 46 GLU HA H 4.154 0.000 . 480 143 46 GLU HB2 H 1.627 0.000 . 481 143 46 GLU HB3 H 1.627 0.000 . 482 143 46 GLU HG2 H 1.705 0.000 . 483 143 46 GLU HG3 H 1.705 0.000 . 484 143 46 GLU C C 175.558 0.000 . 485 143 46 GLU CA C 56.582 0.000 . 486 143 46 GLU CB C 29.561 0.000 . 487 143 46 GLU CG C 35.654 0.000 . 488 143 46 GLU N N 126.489 0.000 . 489 144 47 PHE H H 8.242 0.000 . 490 144 47 PHE HA H 4.650 0.000 . 491 144 47 PHE HB2 H 3.118 0.000 . 492 144 47 PHE HB3 H 2.865 0.000 . 493 144 47 PHE HD1 H 7.047 0.000 . 494 144 47 PHE HD2 H 7.047 0.000 . 495 144 47 PHE HE1 H 7.760 0.000 . 496 144 47 PHE HE2 H 7.760 0.000 . 497 144 47 PHE HZ H 7.563 0.000 . 498 144 47 PHE C C 174.918 0.000 . 499 144 47 PHE CA C 57.901 0.000 . 500 144 47 PHE CB C 39.408 0.000 . 501 144 47 PHE CD1 C 131.686 0.000 . 502 144 47 PHE CE1 C 133.071 0.000 . 503 144 47 PHE CZ C 130.278 0.000 . 504 144 47 PHE N N 122.084 0.000 . 505 145 48 VAL H H 8.573 0.000 . 506 145 48 VAL HA H 5.385 0.000 . 507 145 48 VAL HB H 1.979 0.000 . 508 145 48 VAL HG1 H 0.862 0.000 . 509 145 48 VAL HG2 H 0.866 0.000 . 510 145 48 VAL C C 175.631 0.000 . 511 145 48 VAL CA C 59.863 0.000 . 512 145 48 VAL CB C 36.028 0.000 . 513 145 48 VAL CG1 C 21.425 0.000 . 514 145 48 VAL CG2 C 20.308 0.000 . 515 145 48 VAL N N 119.134 0.000 . 516 146 49 GLY H H 8.684 0.000 . 517 146 49 GLY HA2 H 4.593 0.000 . 518 146 49 GLY HA3 H 3.533 0.000 . 519 146 49 GLY C C 171.018 0.000 . 520 146 49 GLY CA C 44.298 0.000 . 521 146 49 GLY N N 109.538 0.000 . 522 147 50 GLU H H 8.164 0.000 . 523 147 50 GLU HA H 5.546 0.000 . 524 147 50 GLU HB2 H 1.998 0.000 . 525 147 50 GLU HB3 H 1.927 0.000 . 526 147 50 GLU HG2 H 2.113 0.000 . 527 147 50 GLU HG3 H 2.113 0.000 . 528 147 50 GLU C C 174.571 0.000 . 529 147 50 GLU CA C 54.867 0.000 . 530 147 50 GLU CB C 33.796 0.000 . 531 147 50 GLU CG C 37.095 0.000 . 532 147 50 GLU N N 121.104 0.000 . 533 148 51 GLY H H 9.023 0.000 . 534 148 51 GLY HA2 H 4.659 0.000 . 535 148 51 GLY HA3 H 3.708 0.000 . 536 148 51 GLY C C 171.018 0.000 . 537 148 51 GLY CA C 44.333 0.000 . 538 148 51 GLY N N 108.508 0.000 . 539 149 52 GLU H H 8.856 0.000 . 540 149 52 GLU HA H 5.902 0.000 . 541 149 52 GLU HB2 H 2.036 0.000 . 542 149 52 GLU HB3 H 1.991 0.000 . 543 149 52 GLU HG2 H 2.267 0.000 . 544 149 52 GLU HG3 H 2.228 0.000 . 545 149 52 GLU C C 176.652 0.000 . 546 149 52 GLU CA C 53.871 0.000 . 547 149 52 GLU CB C 34.225 0.000 . 548 149 52 GLU CG C 36.212 0.000 . 549 149 52 GLU N N 119.673 0.000 . 550 150 53 GLY H H 8.387 0.000 . 551 150 53 GLY HA2 H 4.338 0.000 . 552 150 53 GLY HA3 H 3.988 0.000 . 553 150 53 GLY C C 172.785 0.000 . 554 150 53 GLY CA C 45.884 0.000 . 555 150 53 GLY N N 105.776 0.000 . 556 151 54 LYS H H 8.946 0.000 . 557 151 54 LYS HA H 4.668 0.000 . 558 151 54 LYS HB2 H 2.228 0.000 . 559 151 54 LYS HB3 H 2.107 0.000 . 560 151 54 LYS HG2 H 1.625 0.000 . 561 151 54 LYS HG3 H 1.533 0.000 . 562 151 54 LYS HD2 H 1.870 0.000 . 563 151 54 LYS HD3 H 1.784 0.000 . 564 151 54 LYS HE2 H 3.044 0.000 . 565 151 54 LYS HE3 H 3.044 0.000 . 566 151 54 LYS C C 174.126 0.000 . 567 151 54 LYS CA C 58.281 0.000 . 568 151 54 LYS CB C 32.802 0.000 . 569 151 54 LYS CG C 24.632 0.000 . 570 151 54 LYS CD C 29.705 0.000 . 571 151 54 LYS CE C 42.185 0.000 . 572 151 54 LYS N N 119.125 0.000 . 573 152 55 SER H H 7.454 0.000 . 574 152 55 SER HA H 5.350 0.000 . 575 152 55 SER HB2 H 4.526 0.000 . 576 152 55 SER HB3 H 3.916 0.000 . 577 152 55 SER CA C 54.322 0.000 . 578 152 55 SER CB C 68.075 0.000 . 579 152 55 SER N N 109.930 0.000 . 580 153 56 LYS H H 9.626 0.000 . 581 153 56 LYS HA H 3.268 0.000 . 582 153 56 LYS HB2 H 1.500 0.000 . 583 153 56 LYS HB3 H 1.448 0.000 . 584 153 56 LYS HG2 H 1.951 0.000 . 585 153 56 LYS HG3 H 1.852 0.000 . 586 153 56 LYS HD2 H 1.472 0.000 . 587 153 56 LYS HD3 H 1.375 0.000 . 588 153 56 LYS HE2 H 3.126 0.000 . 589 153 56 LYS HE3 H 3.126 0.000 . 590 153 56 LYS C C 180.250 0.000 . 591 153 56 LYS CA C 60.937 0.000 . 592 153 56 LYS CB C 31.742 0.000 . 593 153 56 LYS CG C 24.729 0.000 . 594 153 56 LYS CD C 29.639 0.000 . 595 153 56 LYS CE C 42.163 0.000 . 596 153 56 LYS N N 124.636 0.000 . 597 154 57 LYS H H 8.629 0.000 . 598 154 57 LYS HA H 3.836 0.000 . 599 154 57 LYS HB2 H 1.735 0.000 . 600 154 57 LYS HB3 H 1.735 0.000 . 601 154 57 LYS HG2 H 1.475 0.000 . 602 154 57 LYS HG3 H 1.373 0.000 . 603 154 57 LYS HD2 H 1.652 0.000 . 604 154 57 LYS HD3 H 1.652 0.000 . 605 154 57 LYS HE2 H 2.950 0.000 . 606 154 57 LYS HE3 H 2.950 0.000 . 607 154 57 LYS C C 179.047 0.000 . 608 154 57 LYS CA C 60.335 0.000 . 609 154 57 LYS CB C 32.170 0.000 . 610 154 57 LYS CG C 25.501 0.000 . 611 154 57 LYS CD C 28.837 0.000 . 612 154 57 LYS CE C 41.748 0.000 . 613 154 57 LYS N N 119.857 0.000 . 614 155 58 ILE H H 7.778 0.000 . 615 155 58 ILE HA H 3.753 0.000 . 616 155 58 ILE HB H 1.673 0.000 . 617 155 58 ILE HG12 H 1.172 0.000 . 618 155 58 ILE HG13 H 1.172 0.000 . 619 155 58 ILE HG2 H 1.156 0.000 . 620 155 58 ILE HD1 H 0.998 0.000 . 621 155 58 ILE C C 177.417 0.000 . 622 155 58 ILE CA C 64.908 0.000 . 623 155 58 ILE CB C 38.701 0.000 . 624 155 58 ILE CG1 C 30.059 0.000 . 625 155 58 ILE CG2 C 18.161 0.000 . 626 155 58 ILE CD1 C 13.469 0.000 . 627 155 58 ILE N N 121.078 0.000 . 628 156 59 SER H H 7.932 0.000 . 629 156 59 SER HA H 5.031 0.000 . 630 156 59 SER HB2 H 3.752 0.000 . 631 156 59 SER HB3 H 3.752 0.000 . 632 156 59 SER CA C 62.394 0.000 . 633 156 59 SER CB C 70.637 0.000 . 634 156 59 SER N N 114.023 0.000 . 635 157 60 LYS HA H 3.833 0.000 . 636 157 60 LYS HB2 H 1.958 0.000 . 637 157 60 LYS HB3 H 1.735 0.000 . 638 157 60 LYS HG2 H 1.038 0.000 . 639 157 60 LYS HG3 H 0.842 0.000 . 640 157 60 LYS HD2 H 1.488 0.000 . 641 157 60 LYS HD3 H 1.349 0.000 . 642 157 60 LYS HE2 H 2.952 0.000 . 643 157 60 LYS HE3 H 2.952 0.000 . 644 157 60 LYS C C 177.934 0.000 . 645 157 60 LYS CA C 60.349 0.000 . 646 157 60 LYS CB C 33.312 0.000 . 647 157 60 LYS CG C 26.821 0.000 . 648 157 60 LYS CD C 29.991 0.000 . 649 157 60 LYS CE C 41.777 0.000 . 650 158 61 LYS H H 7.870 0.000 . 651 158 61 LYS HA H 3.889 0.000 . 652 158 61 LYS HB2 H 2.044 0.000 . 653 158 61 LYS HB3 H 1.998 0.000 . 654 158 61 LYS HG2 H 1.624 0.000 . 655 158 61 LYS HG3 H 1.392 0.000 . 656 158 61 LYS HD2 H 1.816 0.000 . 657 158 61 LYS HD3 H 1.764 0.000 . 658 158 61 LYS HE2 H 3.064 0.000 . 659 158 61 LYS HE3 H 3.064 0.000 . 660 158 61 LYS C C 178.011 0.000 . 661 158 61 LYS CA C 59.935 0.000 . 662 158 61 LYS CB C 31.959 0.000 . 663 158 61 LYS CG C 24.919 0.000 . 664 158 61 LYS CD C 29.862 0.000 . 665 158 61 LYS CE C 42.084 0.000 . 666 158 61 LYS N N 120.351 0.000 . 667 159 62 ASN H H 8.454 0.000 . 668 159 62 ASN HA H 4.723 0.000 . 669 159 62 ASN HB2 H 3.056 0.000 . 670 159 62 ASN HB3 H 2.802 0.000 . 671 159 62 ASN HD21 H 7.835 0.000 . 672 159 62 ASN HD22 H 6.981 0.000 . 673 159 62 ASN C C 178.666 0.000 . 674 159 62 ASN CA C 55.711 0.000 . 675 159 62 ASN CB C 37.092 0.000 . 676 159 62 ASN N N 117.186 0.000 . 677 159 62 ASN ND2 N 111.377 0.000 . 678 160 63 ALA H H 8.390 0.000 . 679 160 63 ALA HA H 3.855 0.000 . 680 160 63 ALA HB H 1.475 0.000 . 681 160 63 ALA C C 178.026 0.000 . 682 160 63 ALA CA C 55.360 0.000 . 683 160 63 ALA CB C 17.766 0.000 . 684 160 63 ALA N N 126.991 0.000 . 685 161 64 ALA H H 8.331 0.000 . 686 161 64 ALA HA H 4.021 0.000 . 687 161 64 ALA HB H 1.601 0.000 . 688 161 64 ALA C C 178.559 0.000 . 689 161 64 ALA CA C 54.875 0.000 . 690 161 64 ALA CB C 18.540 0.000 . 691 161 64 ALA N N 120.103 0.000 . 692 162 65 ILE H H 8.572 0.000 . 693 162 65 ILE HA H 3.475 0.000 . 694 162 65 ILE HB H 1.985 0.000 . 695 162 65 ILE HG12 H 1.098 0.000 . 696 162 65 ILE HG13 H 1.098 0.000 . 697 162 65 ILE HG2 H 1.022 0.000 . 698 162 65 ILE HD1 H 1.014 0.000 . 699 162 65 ILE C C 178.026 0.000 . 700 162 65 ILE CA C 66.358 0.000 . 701 162 65 ILE CB C 38.771 0.000 . 702 162 65 ILE CG1 C 31.126 0.000 . 703 162 65 ILE CG2 C 16.904 0.000 . 704 162 65 ILE CD1 C 14.160 0.000 . 705 162 65 ILE N N 118.034 0.000 . 706 163 66 ALA H H 7.489 0.000 . 707 163 66 ALA HA H 4.306 0.000 . 708 163 66 ALA HB H 1.697 0.000 . 709 163 66 ALA C C 180.951 0.000 . 710 163 66 ALA CA C 55.216 0.000 . 711 163 66 ALA CB C 18.541 0.000 . 712 163 66 ALA N N 120.109 0.000 . 713 164 67 VAL H H 8.163 0.000 . 714 164 67 VAL HA H 4.144 0.000 . 715 164 67 VAL HB H 1.732 0.000 . 716 164 67 VAL HG1 H 0.854 0.000 . 717 164 67 VAL HG2 H 0.963 0.000 . 718 164 67 VAL C C 177.447 0.000 . 719 164 67 VAL CA C 64.233 0.000 . 720 164 67 VAL CB C 32.032 0.000 . 721 164 67 VAL CG1 C 23.427 0.000 . 722 164 67 VAL CG2 C 21.680 0.000 . 723 164 67 VAL N N 117.902 0.000 . 724 165 68 LEU H H 8.614 0.000 . 725 165 68 LEU HA H 3.912 0.000 . 726 165 68 LEU HB2 H 1.901 0.000 . 727 165 68 LEU HB3 H 1.623 0.000 . 728 165 68 LEU HG H 1.700 0.000 . 729 165 68 LEU HD1 H 0.886 0.000 . 730 165 68 LEU HD2 H 0.837 0.000 . 731 165 68 LEU C C 178.483 0.000 . 732 165 68 LEU CA C 58.229 0.000 . 733 165 68 LEU CB C 41.545 0.000 . 734 165 68 LEU CG C 26.875 0.000 . 735 165 68 LEU CD1 C 24.736 0.000 . 736 165 68 LEU CD2 C 24.364 0.000 . 737 165 68 LEU N N 125.466 0.000 . 738 166 69 GLU H H 7.352 0.000 . 739 166 69 GLU HA H 3.985 0.000 . 740 166 69 GLU HB2 H 2.204 0.000 . 741 166 69 GLU HB3 H 2.153 0.000 . 742 166 69 GLU HG2 H 2.432 0.000 . 743 166 69 GLU HG3 H 2.432 0.000 . 744 166 69 GLU C C 179.001 0.000 . 745 166 69 GLU CA C 59.028 0.000 . 746 166 69 GLU CB C 29.577 0.000 . 747 166 69 GLU CG C 35.814 0.000 . 748 166 69 GLU N N 116.145 0.000 . 749 167 70 GLU H H 7.054 0.000 . 750 167 70 GLU HA H 4.207 0.000 . 751 167 70 GLU HB2 H 2.012 0.000 . 752 167 70 GLU HB3 H 2.012 0.000 . 753 167 70 GLU HG2 H 2.588 0.000 . 754 167 70 GLU HG3 H 2.381 0.000 . 755 167 70 GLU C C 179.199 0.000 . 756 167 70 GLU CA C 57.822 0.000 . 757 167 70 GLU CB C 29.515 0.000 . 758 167 70 GLU CG C 35.210 0.000 . 759 167 70 GLU N N 115.894 0.000 . 760 168 71 LEU H H 8.061 0.000 . 761 168 71 LEU HA H 3.555 0.000 . 762 168 71 LEU HB2 H 1.813 0.000 . 763 168 71 LEU HB3 H 1.380 0.000 . 764 168 71 LEU HG H 1.709 0.000 . 765 168 71 LEU HD1 H 0.803 0.000 . 766 168 71 LEU HD2 H 0.467 0.000 . 767 168 71 LEU C C 179.443 0.000 . 768 168 71 LEU CA C 56.839 0.000 . 769 168 71 LEU CB C 41.521 0.000 . 770 168 71 LEU CG C 26.632 0.000 . 771 168 71 LEU CD1 C 26.310 0.000 . 772 168 71 LEU CD2 C 22.395 0.000 . 773 168 71 LEU N N 118.032 0.000 . 774 169 72 LYS H H 7.937 0.000 . 775 169 72 LYS HA H 4.044 0.000 . 776 169 72 LYS HB2 H 1.913 0.000 . 777 169 72 LYS HB3 H 1.812 0.000 . 778 169 72 LYS HG2 H 1.617 0.000 . 779 169 72 LYS HG3 H 1.452 0.000 . 780 169 72 LYS HD2 H 1.670 0.000 . 781 169 72 LYS HD3 H 1.670 0.000 . 782 169 72 LYS HE2 H 2.949 0.000 . 783 169 72 LYS HE3 H 2.877 0.000 . 784 169 72 LYS C C 176.831 0.000 . 785 169 72 LYS CA C 58.611 0.000 . 786 169 72 LYS CB C 32.453 0.000 . 787 169 72 LYS CG C 25.768 0.000 . 788 169 72 LYS CD C 29.577 0.000 . 789 169 72 LYS CE C 41.980 0.000 . 790 169 72 LYS N N 117.823 0.000 . 791 170 73 LYS H H 7.236 0.000 . 792 170 73 LYS HA H 4.235 0.000 . 793 170 73 LYS HB2 H 2.036 0.000 . 794 170 73 LYS HB3 H 1.880 0.000 . 795 170 73 LYS HG2 H 1.616 0.000 . 796 170 73 LYS HG3 H 1.440 0.000 . 797 170 73 LYS HD2 H 1.784 0.000 . 798 170 73 LYS HD3 H 1.675 0.000 . 799 170 73 LYS HE2 H 3.035 0.000 . 800 170 73 LYS HE3 H 3.035 0.000 . 801 170 73 LYS C C 176.959 0.000 . 802 170 73 LYS CA C 56.744 0.000 . 803 170 73 LYS CB C 32.812 0.000 . 804 170 73 LYS CG C 25.498 0.000 . 805 170 73 LYS CD C 29.601 0.000 . 806 170 73 LYS CE C 42.284 0.000 . 807 170 73 LYS N N 116.551 0.000 . 808 171 74 LEU H H 7.109 0.000 . 809 171 74 LEU HA H 4.436 0.000 . 810 171 74 LEU HB2 H 1.660 0.000 . 811 171 74 LEU HB3 H 1.378 0.000 . 812 171 74 LEU HG H 1.698 0.000 . 813 171 74 LEU HD1 H 0.780 0.000 . 814 171 74 LEU HD2 H 0.981 0.000 . 815 171 74 LEU CA C 53.586 0.000 . 816 171 74 LEU CB C 40.827 0.000 . 817 171 74 LEU CG C 26.689 0.000 . 818 171 74 LEU CD1 C 25.447 0.000 . 819 171 74 LEU CD2 C 22.814 0.000 . 820 171 74 LEU N N 120.614 0.000 . 821 172 75 PRO HA H 4.410 0.000 . 822 172 75 PRO HB2 H 2.309 0.000 . 823 172 75 PRO HB3 H 1.901 0.000 . 824 172 75 PRO HG2 H 2.046 0.000 . 825 172 75 PRO HG3 H 2.046 0.000 . 826 172 75 PRO HD2 H 3.961 0.000 . 827 172 75 PRO HD3 H 3.628 0.000 . 828 172 75 PRO C C 176.335 0.000 . 829 172 75 PRO CA C 62.985 0.000 . 830 172 75 PRO CB C 32.031 0.000 . 831 172 75 PRO CG C 27.397 0.000 . 832 172 75 PRO CD C 50.380 0.000 . 833 173 76 PRO HA H 4.380 0.000 . 834 173 76 PRO HB2 H 2.306 0.000 . 835 173 76 PRO HB3 H 1.880 0.000 . 836 173 76 PRO HG2 H 2.044 0.000 . 837 173 76 PRO HG3 H 2.044 0.000 . 838 173 76 PRO HD2 H 3.867 0.000 . 839 173 76 PRO HD3 H 3.638 0.000 . 840 173 76 PRO C C 176.777 0.000 . 841 173 76 PRO CA C 62.754 0.000 . 842 173 76 PRO CB C 32.046 0.000 . 843 173 76 PRO CG C 27.407 0.000 . 844 173 76 PRO CD C 50.457 0.000 . 845 174 77 LEU H H 8.353 0.000 . 846 174 77 LEU HA H 4.563 0.000 . 847 174 77 LEU HB2 H 1.581 0.000 . 848 174 77 LEU HB3 H 1.581 0.000 . 849 174 77 LEU HG H 1.703 0.000 . 850 174 77 LEU HD1 H 0.951 0.000 . 851 174 77 LEU HD2 H 0.951 0.000 . 852 174 77 LEU CA C 53.002 0.000 . 853 174 77 LEU CB C 41.712 0.000 . 854 174 77 LEU CG C 27.154 0.000 . 855 174 77 LEU CD1 C 23.595 0.000 . 856 174 77 LEU CD2 C 25.628 0.000 . 857 174 77 LEU N N 123.743 0.000 . 858 175 78 PRO HA H 4.519 0.000 . 859 175 78 PRO HB2 H 2.243 0.000 . 860 175 78 PRO HB3 H 2.163 0.000 . 861 175 78 PRO HG2 H 2.234 0.000 . 862 175 78 PRO HG3 H 2.147 0.000 . 863 175 78 PRO HD2 H 2.948 0.000 . 864 175 78 PRO HD3 H 2.900 0.000 . 865 175 78 PRO CA C 54.925 0.000 . 866 175 78 PRO CB C 26.728 0.000 . 867 175 78 PRO CG C 27.043 0.000 . 868 175 78 PRO CD C 51.222 0.000 . 869 176 79 ALA H H 8.288 0.000 . 870 176 79 ALA HA H 4.341 0.000 . 871 176 79 ALA HB H 1.392 0.000 . 872 176 79 ALA C C 177.508 0.000 . 873 176 79 ALA CA C 52.349 0.000 . 874 176 79 ALA CB C 19.177 0.000 . 875 176 79 ALA N N 124.567 0.000 . 876 177 80 VAL H H 8.047 0.000 . 877 177 80 VAL HA H 4.138 0.000 . 878 177 80 VAL HB H 2.071 0.000 . 879 177 80 VAL HG1 H 0.940 0.000 . 880 177 80 VAL HG2 H 0.948 0.000 . 881 177 80 VAL C C 175.924 0.000 . 882 177 80 VAL CA C 62.017 0.000 . 883 177 80 VAL CB C 32.828 0.000 . 884 177 80 VAL CG1 C 21.186 0.000 . 885 177 80 VAL CG2 C 20.452 0.000 . 886 177 80 VAL N N 119.552 0.000 . 887 178 81 GLU H H 8.423 0.000 . 888 178 81 GLU HA H 4.302 0.000 . 889 178 81 GLU HB2 H 2.017 0.000 . 890 178 81 GLU HB3 H 1.922 0.000 . 891 178 81 GLU HG2 H 2.272 0.000 . 892 178 81 GLU HG3 H 2.221 0.000 . 893 178 81 GLU C C 176.000 0.000 . 894 178 81 GLU CA C 56.388 0.000 . 895 178 81 GLU CB C 30.422 0.000 . 896 178 81 GLU CG C 36.178 0.000 . 897 178 81 GLU N N 125.023 0.000 . 898 179 82 ARG H H 8.305 0.000 . 899 179 82 ARG HA H 4.302 0.000 . 900 179 82 ARG HB2 H 1.781 0.000 . 901 179 82 ARG HB3 H 1.707 0.000 . 902 179 82 ARG HG2 H 1.577 0.000 . 903 179 82 ARG HG3 H 1.502 0.000 . 904 179 82 ARG HD2 H 3.108 0.000 . 905 179 82 ARG HD3 H 3.108 0.000 . 906 179 82 ARG HE H 7.487 0.000 . 907 179 82 ARG C C 175.832 0.000 . 908 179 82 ARG CA C 56.096 0.000 . 909 179 82 ARG CB C 30.841 0.000 . 910 179 82 ARG CG C 27.054 0.000 . 911 179 82 ARG CD C 43.344 0.000 . 912 179 82 ARG N N 123.081 0.000 . 913 179 82 ARG NE N 83.622 0.000 . 914 180 83 VAL H H 8.067 0.000 . 915 180 83 VAL HA H 3.995 0.000 . 916 180 83 VAL HB H 1.908 0.000 . 917 180 83 VAL HG1 H 0.735 0.000 . 918 180 83 VAL HG2 H 0.842 0.000 . 919 180 83 VAL C C 175.451 0.000 . 920 180 83 VAL CA C 62.346 0.000 . 921 180 83 VAL CB C 32.577 0.000 . 922 180 83 VAL CG1 C 20.997 0.000 . 923 180 83 VAL CG2 C 20.429 0.000 . 924 180 83 VAL N N 121.461 0.000 . 925 181 84 LYS H H 8.003 0.000 . 926 181 84 LYS HA H 4.301 0.000 . 927 181 84 LYS HB2 H 1.737 0.000 . 928 181 84 LYS HB3 H 1.595 0.000 . 929 181 84 LYS HG2 H 1.335 0.000 . 930 181 84 LYS HG3 H 1.296 0.000 . 931 181 84 LYS HD2 H 1.627 0.000 . 932 181 84 LYS HD3 H 1.627 0.000 . 933 181 84 LYS HE2 H 2.945 0.000 . 934 181 84 LYS HE3 H 2.945 0.000 . 935 181 84 LYS C C 174.811 0.000 . 936 181 84 LYS CA C 56.073 0.000 . 937 181 84 LYS CB C 33.281 0.000 . 938 181 84 LYS CG C 24.518 0.000 . 939 181 84 LYS CD C 29.002 0.000 . 940 181 84 LYS CE C 41.947 0.000 . 941 181 84 LYS N N 124.769 0.000 . 942 205 108 ASN H H 8.717 0.000 . 943 205 108 ASN HA H 4.870 0.000 . 944 205 108 ASN HB2 H 2.950 0.000 . 945 205 108 ASN HB3 H 2.950 0.000 . 946 205 108 ASN HD21 H 6.990 0.000 . 947 205 108 ASN HD22 H 7.829 0.000 . 948 205 108 ASN CA C 51.882 0.000 . 949 205 108 ASN CB C 39.325 0.000 . 950 205 108 ASN N N 123.864 0.000 . 951 205 108 ASN ND2 N 114.761 0.000 . 952 206 109 PRO HA H 4.248 0.000 . 953 206 109 PRO HB2 H 2.322 0.000 . 954 206 109 PRO HB3 H 1.911 0.000 . 955 206 109 PRO HG2 H 1.884 0.000 . 956 206 109 PRO HG3 H 1.693 0.000 . 957 206 109 PRO HD2 H 3.951 0.000 . 958 206 109 PRO HD3 H 3.800 0.000 . 959 206 109 PRO C C 177.596 0.000 . 960 206 109 PRO CA C 65.381 0.000 . 961 206 109 PRO CB C 32.383 0.000 . 962 206 109 PRO CG C 28.020 0.000 . 963 206 109 PRO CD C 50.727 0.000 . 964 207 110 ILE H H 8.167 0.000 . 965 207 110 ILE HA H 3.577 0.000 . 966 207 110 ILE HB H 1.762 0.000 . 967 207 110 ILE HG12 H 0.920 0.000 . 968 207 110 ILE HG13 H 0.920 0.000 . 969 207 110 ILE HG2 H 1.020 0.000 . 970 207 110 ILE HD1 H 0.844 0.000 . 971 207 110 ILE C C 179.799 0.000 . 972 207 110 ILE CA C 65.240 0.000 . 973 207 110 ILE CB C 38.875 0.000 . 974 207 110 ILE CG1 C 29.948 0.000 . 975 207 110 ILE CG2 C 17.338 0.000 . 976 207 110 ILE CD1 C 14.890 0.000 . 977 207 110 ILE N N 118.567 0.000 . 978 208 111 SER H H 7.485 0.000 . 979 208 111 SER HA H 4.339 0.000 . 980 208 111 SER HB2 H 4.019 0.000 . 981 208 111 SER HB3 H 3.983 0.000 . 982 208 111 SER C C 176.493 0.000 . 983 208 111 SER CA C 60.992 0.000 . 984 208 111 SER CB C 62.390 0.000 . 985 208 111 SER N N 116.671 0.000 . 986 209 112 ARG H H 8.380 0.000 . 987 209 112 ARG HA H 4.005 0.000 . 988 209 112 ARG HB2 H 1.859 0.000 . 989 209 112 ARG HB3 H 1.781 0.000 . 990 209 112 ARG HG2 H 1.595 0.000 . 991 209 112 ARG HG3 H 1.595 0.000 . 992 209 112 ARG HD2 H 3.250 0.000 . 993 209 112 ARG HD3 H 3.123 0.000 . 994 209 112 ARG C C 177.806 0.000 . 995 209 112 ARG CA C 59.195 0.000 . 996 209 112 ARG CB C 30.292 0.000 . 997 209 112 ARG CG C 27.101 0.000 . 998 209 112 ARG CD C 43.283 0.000 . 999 209 112 ARG N N 122.279 0.000 . 1000 210 113 LEU H H 8.278 0.000 . 1001 210 113 LEU HA H 4.036 0.000 . 1002 210 113 LEU HB2 H 2.007 0.000 . 1003 210 113 LEU HB3 H 1.489 0.000 . 1004 210 113 LEU HG H 1.592 0.000 . 1005 210 113 LEU HD1 H 0.893 0.000 . 1006 210 113 LEU HD2 H 0.855 0.000 . 1007 210 113 LEU C C 177.760 0.000 . 1008 210 113 LEU CA C 57.846 0.000 . 1009 210 113 LEU CB C 41.467 0.000 . 1010 210 113 LEU CG C 27.093 0.000 . 1011 210 113 LEU CD1 C 26.019 0.000 . 1012 210 113 LEU CD2 C 23.144 0.000 . 1013 210 113 LEU N N 118.991 0.000 . 1014 211 114 ALA H H 7.750 0.000 . 1015 211 114 ALA HA H 3.936 0.000 . 1016 211 114 ALA HB H 1.640 0.000 . 1017 211 114 ALA C C 180.604 0.000 . 1018 211 114 ALA CA C 55.472 0.000 . 1019 211 114 ALA CB C 17.898 0.000 . 1020 211 114 ALA N N 119.486 0.000 . 1021 212 115 GLN H H 8.205 0.000 . 1022 212 115 GLN HA H 4.204 0.000 . 1023 212 115 GLN HB2 H 2.299 0.000 . 1024 212 115 GLN HB3 H 2.217 0.000 . 1025 212 115 GLN HG2 H 2.702 0.000 . 1026 212 115 GLN HG3 H 2.424 0.000 . 1027 212 115 GLN HE21 H 6.754 0.000 . 1028 212 115 GLN HE22 H 7.330 0.000 . 1029 212 115 GLN C C 179.018 0.000 . 1030 212 115 GLN CA C 59.062 0.000 . 1031 212 115 GLN CB C 28.130 0.000 . 1032 212 115 GLN CG C 34.193 0.000 . 1033 212 115 GLN N N 118.531 0.000 . 1034 212 115 GLN NE2 N 110.496 0.000 . 1035 213 116 ILE H H 8.144 0.000 . 1036 213 116 ILE HA H 3.625 0.000 . 1037 213 116 ILE HB H 1.857 0.000 . 1038 213 116 ILE HG12 H 0.734 0.000 . 1039 213 116 ILE HG13 H 0.734 0.000 . 1040 213 116 ILE HG2 H 0.701 0.000 . 1041 213 116 ILE HD1 H 0.201 0.000 . 1042 213 116 ILE C C 178.399 0.000 . 1043 213 116 ILE CA C 65.172 0.000 . 1044 213 116 ILE CB C 38.336 0.000 . 1045 213 116 ILE CG1 C 29.458 0.000 . 1046 213 116 ILE CG2 C 16.453 0.000 . 1047 213 116 ILE CD1 C 14.017 0.000 . 1048 213 116 ILE N N 122.348 0.000 . 1049 214 117 GLN H H 7.534 0.000 . 1050 214 117 GLN HA H 3.891 0.000 . 1051 214 117 GLN HB2 H 2.190 0.000 . 1052 214 117 GLN HB3 H 1.989 0.000 . 1053 214 117 GLN HG2 H 2.317 0.000 . 1054 214 117 GLN HG3 H 2.317 0.000 . 1055 214 117 GLN HE21 H 6.883 0.000 . 1056 214 117 GLN HE22 H 7.494 0.000 . 1057 214 117 GLN C C 178.350 0.000 . 1058 214 117 GLN CA C 58.166 0.000 . 1059 214 117 GLN CB C 29.723 0.000 . 1060 214 117 GLN CG C 35.401 0.000 . 1061 214 117 GLN N N 116.394 0.000 . 1062 214 117 GLN NE2 N 108.695 0.000 . 1063 215 118 GLN H H 8.115 0.000 . 1064 215 118 GLN HA H 4.249 0.000 . 1065 215 118 GLN HB2 H 2.329 0.000 . 1066 215 118 GLN HB3 H 2.096 0.000 . 1067 215 118 GLN HG2 H 2.674 0.000 . 1068 215 118 GLN HG3 H 2.508 0.000 . 1069 215 118 GLN HE21 H 6.972 0.000 . 1070 215 118 GLN HE22 H 7.778 0.000 . 1071 215 118 GLN C C 180.510 0.000 . 1072 215 118 GLN CA C 58.928 0.000 . 1073 215 118 GLN CB C 28.910 0.000 . 1074 215 118 GLN CG C 34.307 0.000 . 1075 215 118 GLN N N 118.245 0.000 . 1076 215 118 GLN NE2 N 112.103 0.000 . 1077 216 119 ALA H H 8.385 0.000 . 1078 216 119 ALA HA H 4.174 0.000 . 1079 216 119 ALA HB H 1.556 0.000 . 1080 216 119 ALA C C 179.452 0.000 . 1081 216 119 ALA CA C 54.832 0.000 . 1082 216 119 ALA CB C 18.052 0.000 . 1083 216 119 ALA N N 123.232 0.000 . 1084 217 120 LYS H H 7.417 0.000 . 1085 217 120 LYS HA H 4.243 0.000 . 1086 217 120 LYS HB2 H 1.985 0.000 . 1087 217 120 LYS HB3 H 1.698 0.000 . 1088 217 120 LYS HG2 H 1.656 0.000 . 1089 217 120 LYS HG3 H 1.511 0.000 . 1090 217 120 LYS HD2 H 1.653 0.000 . 1091 217 120 LYS HD3 H 1.653 0.000 . 1092 217 120 LYS HE2 H 2.922 0.000 . 1093 217 120 LYS HE3 H 2.922 0.000 . 1094 217 120 LYS C C 175.221 0.000 . 1095 217 120 LYS CA C 56.452 0.000 . 1096 217 120 LYS CB C 33.072 0.000 . 1097 217 120 LYS CG C 25.088 0.000 . 1098 217 120 LYS CD C 29.434 0.000 . 1099 217 120 LYS CE C 41.974 0.000 . 1100 217 120 LYS N N 115.213 0.000 . 1101 218 121 LYS H H 7.951 0.000 . 1102 218 121 LYS HA H 3.977 0.000 . 1103 218 121 LYS HB2 H 2.145 0.000 . 1104 218 121 LYS HB3 H 1.957 0.000 . 1105 218 121 LYS HG2 H 1.418 0.000 . 1106 218 121 LYS HG3 H 1.418 0.000 . 1107 218 121 LYS HD2 H 1.778 0.000 . 1108 218 121 LYS HD3 H 1.705 0.000 . 1109 218 121 LYS HE2 H 3.019 0.000 . 1110 218 121 LYS HE3 H 3.019 0.000 . 1111 218 121 LYS C C 175.813 0.000 . 1112 218 121 LYS CA C 57.078 0.000 . 1113 218 121 LYS CB C 28.743 0.000 . 1114 218 121 LYS CG C 25.034 0.000 . 1115 218 121 LYS CD C 29.014 0.000 . 1116 218 121 LYS CE C 42.109 0.000 . 1117 218 121 LYS N N 116.033 0.000 . 1118 219 122 GLU H H 7.797 0.000 . 1119 219 122 GLU HA H 4.607 0.000 . 1120 219 122 GLU HB2 H 2.171 0.000 . 1121 219 122 GLU HB3 H 1.653 0.000 . 1122 219 122 GLU HG2 H 2.327 0.000 . 1123 219 122 GLU HG3 H 2.284 0.000 . 1124 219 122 GLU C C 177.671 0.000 . 1125 219 122 GLU CA C 54.308 0.000 . 1126 219 122 GLU CB C 34.304 0.000 . 1127 219 122 GLU CG C 36.948 0.000 . 1128 219 122 GLU N N 117.682 0.000 . 1129 220 123 LYS H H 8.076 0.000 . 1130 220 123 LYS HA H 4.090 0.000 . 1131 220 123 LYS HB2 H 1.897 0.000 . 1132 220 123 LYS HB3 H 1.818 0.000 . 1133 220 123 LYS HG2 H 1.705 0.000 . 1134 220 123 LYS HG3 H 1.622 0.000 . 1135 220 123 LYS HD2 H 1.758 0.000 . 1136 220 123 LYS HD3 H 1.758 0.000 . 1137 220 123 LYS HE2 H 3.069 0.000 . 1138 220 123 LYS HE3 H 3.069 0.000 . 1139 220 123 LYS C C 175.994 0.000 . 1140 220 123 LYS CA C 57.156 0.000 . 1141 220 123 LYS CB C 33.059 0.000 . 1142 220 123 LYS CG C 24.789 0.000 . 1143 220 123 LYS CD C 29.172 0.000 . 1144 220 123 LYS CE C 42.266 0.000 . 1145 220 123 LYS N N 119.775 0.000 . 1146 221 124 GLU H H 8.796 0.000 . 1147 221 124 GLU HA H 4.448 0.000 . 1148 221 124 GLU HB2 H 2.205 0.000 . 1149 221 124 GLU HB3 H 2.107 0.000 . 1150 221 124 GLU HG2 H 2.476 0.000 . 1151 221 124 GLU HG3 H 2.476 0.000 . 1152 221 124 GLU CA C 55.532 0.000 . 1153 221 124 GLU CB C 27.783 0.000 . 1154 221 124 GLU CG C 35.905 0.000 . 1155 221 124 GLU N N 122.710 0.000 . 1156 222 125 PRO HA H 4.373 0.000 . 1157 222 125 PRO HB2 H 1.674 0.000 . 1158 222 125 PRO HB3 H 1.639 0.000 . 1159 222 125 PRO HG2 H 2.394 0.000 . 1160 222 125 PRO HG3 H 2.394 0.000 . 1161 222 125 PRO HD2 H 3.806 0.000 . 1162 222 125 PRO HD3 H 3.740 0.000 . 1163 222 125 PRO C C 175.005 0.000 . 1164 222 125 PRO CA C 62.769 0.000 . 1165 222 125 PRO CB C 32.457 0.000 . 1166 222 125 PRO CG C 28.739 0.000 . 1167 222 125 PRO CD C 50.332 0.000 . 1168 223 126 GLU H H 7.976 0.000 . 1169 223 126 GLU HA H 4.761 0.000 . 1170 223 126 GLU HB2 H 2.018 0.000 . 1171 223 126 GLU HB3 H 1.949 0.000 . 1172 223 126 GLU HG2 H 2.337 0.000 . 1173 223 126 GLU HG3 H 2.084 0.000 . 1174 223 126 GLU C C 175.631 0.000 . 1175 223 126 GLU CA C 54.751 0.000 . 1176 223 126 GLU CB C 32.647 0.000 . 1177 223 126 GLU CG C 36.188 0.000 . 1178 223 126 GLU N N 121.940 0.000 . 1179 224 127 TYR H H 9.280 0.000 . 1180 224 127 TYR HA H 5.561 0.000 . 1181 224 127 TYR HB2 H 2.894 0.000 . 1182 224 127 TYR HB3 H 2.894 0.000 . 1183 224 127 TYR HD1 H 6.937 0.000 . 1184 224 127 TYR HD2 H 6.937 0.000 . 1185 224 127 TYR HE1 H 6.614 0.000 . 1186 224 127 TYR HE2 H 6.614 0.000 . 1187 224 127 TYR C C 176.259 0.000 . 1188 224 127 TYR CA C 57.617 0.000 . 1189 224 127 TYR CB C 40.246 0.000 . 1190 224 127 TYR CD1 C 133.499 0.000 . 1191 224 127 TYR CE1 C 117.915 0.000 . 1192 224 127 TYR N N 127.784 0.000 . 1193 225 128 THR H H 9.191 0.000 . 1194 225 128 THR HA H 4.550 0.000 . 1195 225 128 THR HB H 3.861 0.000 . 1196 225 128 THR HG2 H 1.173 0.000 . 1197 225 128 THR C C 172.348 0.000 . 1198 225 128 THR CA C 61.385 0.000 . 1199 225 128 THR CB C 72.269 0.000 . 1200 225 128 THR CG2 C 21.479 0.000 . 1201 225 128 THR N N 117.769 0.000 . 1202 226 129 LEU H H 8.867 0.000 . 1203 226 129 LEU HA H 4.887 0.000 . 1204 226 129 LEU HB2 H 1.998 0.000 . 1205 226 129 LEU HB3 H 1.486 0.000 . 1206 226 129 LEU HG H 1.627 0.000 . 1207 226 129 LEU HD1 H 1.066 0.000 . 1208 226 129 LEU HD2 H 1.138 0.000 . 1209 226 129 LEU C C 176.095 0.000 . 1210 226 129 LEU CA C 55.546 0.000 . 1211 226 129 LEU CB C 41.878 0.000 . 1212 226 129 LEU CG C 27.348 0.000 . 1213 226 129 LEU CD1 C 26.330 0.000 . 1214 226 129 LEU CD2 C 24.552 0.000 . 1215 226 129 LEU N N 129.025 0.000 . 1216 227 130 LEU H H 9.083 0.000 . 1217 227 130 LEU HA H 4.486 0.000 . 1218 227 130 LEU HB2 H 1.626 0.000 . 1219 227 130 LEU HB3 H 1.562 0.000 . 1220 227 130 LEU HG H 1.606 0.000 . 1221 227 130 LEU HD1 H 0.876 0.000 . 1222 227 130 LEU HD2 H 0.762 0.000 . 1223 227 130 LEU C C 177.492 0.000 . 1224 227 130 LEU CA C 55.988 0.000 . 1225 227 130 LEU CB C 42.621 0.000 . 1226 227 130 LEU CG C 26.579 0.000 . 1227 227 130 LEU CD1 C 25.378 0.000 . 1228 227 130 LEU CD2 C 22.538 0.000 . 1229 227 130 LEU N N 129.383 0.000 . 1230 228 131 THR H H 7.627 0.000 . 1231 228 131 THR HA H 4.503 0.000 . 1232 228 131 THR HB H 4.125 0.000 . 1233 228 131 THR HG2 H 1.088 0.000 . 1234 228 131 THR C C 171.725 0.000 . 1235 228 131 THR CA C 61.617 0.000 . 1236 228 131 THR CB C 69.907 0.000 . 1237 228 131 THR CG2 C 20.452 0.000 . 1238 228 131 THR N N 111.165 0.000 . 1239 229 132 GLU H H 8.202 0.000 . 1240 229 132 GLU HA H 4.753 0.000 . 1241 229 132 GLU HB2 H 1.915 0.000 . 1242 229 132 GLU HB3 H 1.842 0.000 . 1243 229 132 GLU HG2 H 1.936 0.000 . 1244 229 132 GLU HG3 H 1.936 0.000 . 1245 229 132 GLU C C 175.269 0.000 . 1246 229 132 GLU CA C 55.528 0.000 . 1247 229 132 GLU CB C 31.817 0.000 . 1248 229 132 GLU CG C 36.104 0.000 . 1249 229 132 GLU N N 123.592 0.000 . 1250 230 133 ARG H H 8.825 0.000 . 1251 230 133 ARG HA H 4.717 0.000 . 1252 230 133 ARG HB2 H 1.826 0.000 . 1253 230 133 ARG HB3 H 1.826 0.000 . 1254 230 133 ARG HG2 H 1.508 0.000 . 1255 230 133 ARG HG3 H 1.508 0.000 . 1256 230 133 ARG HD2 H 3.103 0.000 . 1257 230 133 ARG HD3 H 3.103 0.000 . 1258 230 133 ARG HE H 7.307 0.000 . 1259 230 133 ARG C C 175.278 0.000 . 1260 230 133 ARG CA C 54.851 0.000 . 1261 230 133 ARG CB C 31.988 0.000 . 1262 230 133 ARG CG C 26.711 0.000 . 1263 230 133 ARG CD C 43.561 0.000 . 1264 230 133 ARG N N 122.560 0.000 . 1265 230 133 ARG NE N 85.378 0.000 . 1266 231 134 GLY H H 8.461 0.000 . 1267 231 134 GLY HA2 H 4.266 0.000 . 1268 231 134 GLY HA3 H 3.931 0.000 . 1269 231 134 GLY C C 173.687 0.000 . 1270 231 134 GLY CA C 44.839 0.000 . 1271 231 134 GLY N N 109.046 0.000 . 1272 232 135 LEU H H 7.923 0.000 . 1273 232 135 LEU HA H 4.629 0.000 . 1274 232 135 LEU HB2 H 1.669 0.000 . 1275 232 135 LEU HB3 H 1.495 0.000 . 1276 232 135 LEU HG H 1.681 0.000 . 1277 232 135 LEU HD1 H 0.919 0.000 . 1278 232 135 LEU HD2 H 0.930 0.000 . 1279 232 135 LEU CA C 53.282 0.000 . 1280 232 135 LEU CB C 41.755 0.000 . 1281 232 135 LEU CG C 27.264 0.000 . 1282 232 135 LEU CD1 C 25.291 0.000 . 1283 232 135 LEU CD2 C 22.941 0.000 . 1284 232 135 LEU N N 122.816 0.000 . 1285 233 136 PRO HA H 4.187 0.000 . 1286 233 136 PRO HB2 H 2.355 0.000 . 1287 233 136 PRO HB3 H 1.855 0.000 . 1288 233 136 PRO HG2 H 2.129 0.000 . 1289 233 136 PRO HG3 H 2.010 0.000 . 1290 233 136 PRO HD2 H 3.817 0.000 . 1291 233 136 PRO HD3 H 3.670 0.000 . 1292 233 136 PRO C C 177.501 0.000 . 1293 233 136 PRO CA C 65.424 0.000 . 1294 233 136 PRO CB C 31.849 0.000 . 1295 233 136 PRO CG C 27.834 0.000 . 1296 233 136 PRO CD C 50.169 0.000 . 1297 234 137 ARG H H 8.110 0.000 . 1298 234 137 ARG HA H 4.367 0.000 . 1299 234 137 ARG HB2 H 1.979 0.000 . 1300 234 137 ARG HB3 H 1.820 0.000 . 1301 234 137 ARG HG2 H 1.549 0.000 . 1302 234 137 ARG HG3 H 1.549 0.000 . 1303 234 137 ARG HD2 H 3.132 0.000 . 1304 234 137 ARG HD3 H 3.132 0.000 . 1305 234 137 ARG C C 175.723 0.000 . 1306 234 137 ARG CA C 56.442 0.000 . 1307 234 137 ARG CB C 29.608 0.000 . 1308 234 137 ARG CG C 27.453 0.000 . 1309 234 137 ARG CD C 43.302 0.000 . 1310 234 137 ARG N N 114.106 0.000 . 1311 235 138 ARG H H 7.977 0.000 . 1312 235 138 ARG HA H 4.589 0.000 . 1313 235 138 ARG HB2 H 1.885 0.000 . 1314 235 138 ARG HB3 H 1.659 0.000 . 1315 235 138 ARG HG2 H 1.619 0.000 . 1316 235 138 ARG HG3 H 1.619 0.000 . 1317 235 138 ARG HD2 H 3.221 0.000 . 1318 235 138 ARG HD3 H 3.221 0.000 . 1319 235 138 ARG C C 174.519 0.000 . 1320 235 138 ARG CA C 55.521 0.000 . 1321 235 138 ARG CB C 30.804 0.000 . 1322 235 138 ARG CG C 27.117 0.000 . 1323 235 138 ARG CD C 43.481 0.000 . 1324 235 138 ARG N N 121.158 0.000 . 1325 236 139 ARG H H 8.391 0.000 . 1326 236 139 ARG HA H 4.385 0.000 . 1327 236 139 ARG HB2 H 1.795 0.000 . 1328 236 139 ARG HB3 H 1.540 0.000 . 1329 236 139 ARG HG2 H 1.595 0.000 . 1330 236 139 ARG HG3 H 1.595 0.000 . 1331 236 139 ARG HD2 H 3.056 0.000 . 1332 236 139 ARG HD3 H 2.994 0.000 . 1333 236 139 ARG C C 175.545 0.000 . 1334 236 139 ARG CA C 56.007 0.000 . 1335 236 139 ARG CB C 31.209 0.000 . 1336 236 139 ARG CG C 26.997 0.000 . 1337 236 139 ARG CD C 43.289 0.000 . 1338 236 139 ARG N N 123.620 0.000 . 1339 237 140 GLU H H 8.178 0.000 . 1340 237 140 GLU HA H 4.589 0.000 . 1341 237 140 GLU HB2 H 1.781 0.000 . 1342 237 140 GLU HB3 H 1.712 0.000 . 1343 237 140 GLU HG2 H 2.085 0.000 . 1344 237 140 GLU HG3 H 1.955 0.000 . 1345 237 140 GLU C C 174.134 0.000 . 1346 237 140 GLU CA C 55.202 0.000 . 1347 237 140 GLU CB C 33.109 0.000 . 1348 237 140 GLU CG C 36.953 0.000 . 1349 237 140 GLU N N 119.830 0.000 . 1350 238 141 PHE H H 8.882 0.000 . 1351 238 141 PHE HA H 4.779 0.000 . 1352 238 141 PHE HB2 H 2.655 0.000 . 1353 238 141 PHE HB3 H 2.565 0.000 . 1354 238 141 PHE HD1 H 7.002 0.000 . 1355 238 141 PHE HD2 H 7.002 0.000 . 1356 238 141 PHE HE1 H 7.443 0.000 . 1357 238 141 PHE HE2 H 7.443 0.000 . 1358 238 141 PHE HZ H 7.506 0.000 . 1359 238 141 PHE C C 174.668 0.000 . 1360 238 141 PHE CA C 57.710 0.000 . 1361 238 141 PHE CB C 41.429 0.000 . 1362 238 141 PHE CD1 C 131.132 0.000 . 1363 238 141 PHE CE1 C 131.725 0.000 . 1364 238 141 PHE CZ C 130.700 0.000 . 1365 238 141 PHE N N 121.881 0.000 . 1366 239 142 VAL H H 8.511 0.000 . 1367 239 142 VAL HA H 4.946 0.000 . 1368 239 142 VAL HB H 2.027 0.000 . 1369 239 142 VAL HG1 H 1.210 0.000 . 1370 239 142 VAL HG2 H 0.849 0.000 . 1371 239 142 VAL C C 175.178 0.000 . 1372 239 142 VAL CA C 61.325 0.000 . 1373 239 142 VAL CB C 33.150 0.000 . 1374 239 142 VAL CG1 C 21.698 0.000 . 1375 239 142 VAL CG2 C 19.868 0.000 . 1376 239 142 VAL N N 120.682 0.000 . 1377 240 143 MET H H 9.386 0.000 . 1378 240 143 MET HA H 5.317 0.000 . 1379 240 143 MET HB2 H 1.940 0.000 . 1380 240 143 MET HB3 H 1.732 0.000 . 1381 240 143 MET HG2 H 2.540 0.000 . 1382 240 143 MET HG3 H 2.362 0.000 . 1383 240 143 MET HE H 1.821 0.000 . 1384 240 143 MET C C 173.752 0.000 . 1385 240 143 MET CA C 52.733 0.000 . 1386 240 143 MET CB C 35.375 0.000 . 1387 240 143 MET CG C 32.784 0.000 . 1388 240 143 MET CE C 18.421 0.000 . 1389 240 143 MET N N 126.332 0.000 . 1390 241 144 GLN H H 9.470 0.000 . 1391 241 144 GLN HA H 5.495 0.000 . 1392 241 144 GLN HB2 H 2.136 0.000 . 1393 241 144 GLN HB3 H 1.997 0.000 . 1394 241 144 GLN HG2 H 2.335 0.000 . 1395 241 144 GLN HG3 H 2.088 0.000 . 1396 241 144 GLN HE21 H 6.851 0.000 . 1397 241 144 GLN HE22 H 7.859 0.000 . 1398 241 144 GLN C C 174.392 0.000 . 1399 241 144 GLN CA C 53.813 0.000 . 1400 241 144 GLN CB C 33.830 0.000 . 1401 241 144 GLN CG C 35.996 0.000 . 1402 241 144 GLN N N 123.570 0.000 . 1403 241 144 GLN NE2 N 111.306 0.000 . 1404 242 145 VAL H H 9.174 0.000 . 1405 242 145 VAL HA H 5.155 0.000 . 1406 242 145 VAL HB H 1.589 0.000 . 1407 242 145 VAL HG1 H 0.014 0.000 . 1408 242 145 VAL HG2 H 0.692 0.000 . 1409 242 145 VAL C C 171.552 0.000 . 1410 242 145 VAL CA C 58.064 0.000 . 1411 242 145 VAL CB C 35.304 0.000 . 1412 242 145 VAL CG1 C 22.539 0.000 . 1413 242 145 VAL CG2 C 20.918 0.000 . 1414 242 145 VAL N N 124.115 0.000 . 1415 243 146 LYS H H 8.430 0.000 . 1416 243 146 LYS HA H 5.233 0.000 . 1417 243 146 LYS HB2 H 1.787 0.000 . 1418 243 146 LYS HB3 H 1.519 0.000 . 1419 243 146 LYS HG2 H 1.318 0.000 . 1420 243 146 LYS HG3 H 1.318 0.000 . 1421 243 146 LYS HD2 H 1.597 0.000 . 1422 243 146 LYS HD3 H 1.597 0.000 . 1423 243 146 LYS HE2 H 2.907 0.000 . 1424 243 146 LYS HE3 H 2.907 0.000 . 1425 243 146 LYS C C 176.444 0.000 . 1426 243 146 LYS CA C 54.752 0.000 . 1427 243 146 LYS CB C 36.440 0.000 . 1428 243 146 LYS CG C 24.696 0.000 . 1429 243 146 LYS CD C 29.519 0.000 . 1430 243 146 LYS CE C 41.976 0.000 . 1431 243 146 LYS N N 127.594 0.000 . 1432 244 147 VAL H H 8.297 0.000 . 1433 244 147 VAL HA H 4.212 0.000 . 1434 244 147 VAL HB H 2.150 0.000 . 1435 244 147 VAL HG1 H 0.849 0.000 . 1436 244 147 VAL HG2 H 0.914 0.000 . 1437 244 147 VAL C C 175.336 0.000 . 1438 244 147 VAL CA C 61.476 0.000 . 1439 244 147 VAL CB C 35.082 0.000 . 1440 244 147 VAL CG1 C 22.719 0.000 . 1441 244 147 VAL CG2 C 21.284 0.000 . 1442 244 147 VAL N N 126.218 0.000 . 1443 245 148 GLY H H 8.805 0.000 . 1444 245 148 GLY HA2 H 3.982 0.000 . 1445 245 148 GLY HA3 H 3.689 0.000 . 1446 245 148 GLY CA C 47.162 0.000 . 1447 245 148 GLY N N 116.716 0.000 . 1448 246 149 ASN HA H 4.707 0.000 . 1449 246 149 ASN HB2 H 2.762 0.000 . 1450 246 149 ASN HB3 H 2.493 0.000 . 1451 246 149 ASN HD21 H 6.770 0.000 . 1452 246 149 ASN HD22 H 7.412 0.000 . 1453 246 149 ASN C C 174.772 0.000 . 1454 246 149 ASN CA C 52.891 0.000 . 1455 246 149 ASN CB C 38.218 0.000 . 1456 246 149 ASN ND2 N 112.249 0.000 . 1457 247 150 HIS H H 8.457 0.000 . 1458 247 150 HIS HA H 4.901 0.000 . 1459 247 150 HIS HB2 H 3.293 0.000 . 1460 247 150 HIS HB3 H 2.886 0.000 . 1461 247 150 HIS HD2 H 7.137 0.000 . 1462 247 150 HIS HE1 H 8.073 0.000 . 1463 247 150 HIS C C 174.564 0.000 . 1464 247 150 HIS CA C 55.883 0.000 . 1465 247 150 HIS CB C 32.315 0.000 . 1466 247 150 HIS CD2 C 121.646 0.000 . 1467 247 150 HIS CE1 C 138.120 0.000 . 1468 247 150 HIS N N 119.227 0.000 . 1469 248 151 THR H H 8.419 0.000 . 1470 248 151 THR HA H 5.322 0.000 . 1471 248 151 THR HB H 3.934 0.000 . 1472 248 151 THR HG2 H 1.071 0.000 . 1473 248 151 THR C C 172.636 0.000 . 1474 248 151 THR CA C 60.560 0.000 . 1475 248 151 THR CB C 72.012 0.000 . 1476 248 151 THR CG2 C 21.844 0.000 . 1477 248 151 THR N N 114.247 0.000 . 1478 249 152 ALA H H 8.753 0.000 . 1479 249 152 ALA HA H 4.760 0.000 . 1480 249 152 ALA HB H 1.403 0.000 . 1481 249 152 ALA C C 175.025 0.000 . 1482 249 152 ALA CA C 50.881 0.000 . 1483 249 152 ALA CB C 22.933 0.000 . 1484 249 152 ALA N N 122.911 0.000 . 1485 250 153 GLU H H 8.499 0.000 . 1486 250 153 GLU HA H 5.689 0.000 . 1487 250 153 GLU HB2 H 1.938 0.000 . 1488 250 153 GLU HB3 H 1.883 0.000 . 1489 250 153 GLU HG2 H 2.187 0.000 . 1490 250 153 GLU HG3 H 2.131 0.000 . 1491 250 153 GLU C C 175.861 0.000 . 1492 250 153 GLU CA C 54.579 0.000 . 1493 250 153 GLU CB C 33.796 0.000 . 1494 250 153 GLU CG C 36.764 0.000 . 1495 250 153 GLU N N 118.076 0.000 . 1496 251 154 GLY H H 9.149 0.000 . 1497 251 154 GLY HA2 H 4.640 0.000 . 1498 251 154 GLY HA3 H 3.880 0.000 . 1499 251 154 GLY C C 171.636 0.000 . 1500 251 154 GLY CA C 44.383 0.000 . 1501 251 154 GLY N N 108.669 0.000 . 1502 252 155 THR H H 8.713 0.000 . 1503 252 155 THR HA H 6.004 0.000 . 1504 252 155 THR HB H 4.129 0.000 . 1505 252 155 THR HG2 H 1.211 0.000 . 1506 252 155 THR C C 174.477 0.000 . 1507 252 155 THR CA C 59.707 0.000 . 1508 252 155 THR CB C 71.848 0.000 . 1509 252 155 THR CG2 C 21.694 0.000 . 1510 252 155 THR N N 113.770 0.000 . 1511 253 156 GLY H H 8.413 0.000 . 1512 253 156 GLY HA2 H 4.633 0.000 . 1513 253 156 GLY HA3 H 4.091 0.000 . 1514 253 156 GLY C C 172.661 0.000 . 1515 253 156 GLY CA C 45.548 0.000 . 1516 253 156 GLY N N 106.901 0.000 . 1517 254 157 THR H H 8.452 0.000 . 1518 254 157 THR HA H 4.786 0.000 . 1519 254 157 THR HB H 4.173 0.000 . 1520 254 157 THR HG2 H 1.393 0.000 . 1521 254 157 THR C C 173.241 0.000 . 1522 254 157 THR CA C 62.878 0.000 . 1523 254 157 THR CB C 69.698 0.000 . 1524 254 157 THR CG2 C 22.080 0.000 . 1525 254 157 THR N N 110.048 0.000 . 1526 255 158 ASN H H 7.524 0.000 . 1527 255 158 ASN HA H 4.759 0.000 . 1528 255 158 ASN HB2 H 3.161 0.000 . 1529 255 158 ASN HB3 H 2.933 0.000 . 1530 255 158 ASN HD21 H 6.682 0.000 . 1531 255 158 ASN HD22 H 7.677 0.000 . 1532 255 158 ASN C C 174.679 0.000 . 1533 255 158 ASN CA C 51.969 0.000 . 1534 255 158 ASN CB C 41.426 0.000 . 1535 255 158 ASN N N 112.555 0.000 . 1536 255 158 ASN ND2 N 115.161 0.000 . 1537 256 159 LYS H H 8.942 0.000 . 1538 256 159 LYS HA H 3.296 0.000 . 1539 256 159 LYS HB2 H 1.493 0.000 . 1540 256 159 LYS HB3 H 1.451 0.000 . 1541 256 159 LYS HG2 H 0.761 0.000 . 1542 256 159 LYS HG3 H 0.594 0.000 . 1543 256 159 LYS HD2 H 1.549 0.000 . 1544 256 159 LYS HD3 H 1.506 0.000 . 1545 256 159 LYS HE2 H 2.739 0.000 . 1546 256 159 LYS HE3 H 2.619 0.000 . 1547 256 159 LYS C C 175.707 0.000 . 1548 256 159 LYS CA C 61.078 0.000 . 1549 256 159 LYS CB C 32.455 0.000 . 1550 256 159 LYS CG C 26.370 0.000 . 1551 256 159 LYS CD C 29.813 0.000 . 1552 256 159 LYS CE C 42.031 0.000 . 1553 256 159 LYS N N 120.789 0.000 . 1554 257 160 LYS H H 8.065 0.000 . 1555 257 160 LYS HA H 3.841 0.000 . 1556 257 160 LYS HB2 H 1.822 0.000 . 1557 257 160 LYS HB3 H 1.772 0.000 . 1558 257 160 LYS HG2 H 1.475 0.000 . 1559 257 160 LYS HG3 H 1.312 0.000 . 1560 257 160 LYS HD2 H 1.654 0.000 . 1561 257 160 LYS HD3 H 1.654 0.000 . 1562 257 160 LYS HE2 H 2.916 0.000 . 1563 257 160 LYS HE3 H 2.916 0.000 . 1564 257 160 LYS C C 179.530 0.000 . 1565 257 160 LYS CA C 60.178 0.000 . 1566 257 160 LYS CB C 31.769 0.000 . 1567 257 160 LYS CG C 25.530 0.000 . 1568 257 160 LYS CD C 29.199 0.000 . 1569 257 160 LYS CE C 41.888 0.000 . 1570 257 160 LYS N N 119.889 0.000 . 1571 258 161 VAL H H 8.452 0.000 . 1572 258 161 VAL HA H 3.672 0.000 . 1573 258 161 VAL HB H 1.938 0.000 . 1574 258 161 VAL HG1 H 1.170 0.000 . 1575 258 161 VAL HG2 H 1.188 0.000 . 1576 258 161 VAL C C 177.582 0.000 . 1577 258 161 VAL CA C 65.998 0.000 . 1578 258 161 VAL CB C 32.070 0.000 . 1579 258 161 VAL CG1 C 23.170 0.000 . 1580 258 161 VAL CG2 C 21.694 0.000 . 1581 258 161 VAL N N 120.483 0.000 . 1582 259 162 ALA H H 7.602 0.000 . 1583 259 162 ALA HA H 3.775 0.000 . 1584 259 162 ALA HB H 1.373 0.000 . 1585 259 162 ALA C C 178.656 0.000 . 1586 259 162 ALA CA C 55.844 0.000 . 1587 259 162 ALA CB C 18.365 0.000 . 1588 259 162 ALA N N 122.105 0.000 . 1589 260 163 LYS H H 8.137 0.000 . 1590 260 163 LYS HA H 3.650 0.000 . 1591 260 163 LYS HB2 H 1.799 0.000 . 1592 260 163 LYS HB3 H 1.799 0.000 . 1593 260 163 LYS HG2 H 0.945 0.000 . 1594 260 163 LYS HG3 H 0.801 0.000 . 1595 260 163 LYS HD2 H 1.539 0.000 . 1596 260 163 LYS HD3 H 1.539 0.000 . 1597 260 163 LYS HE2 H 1.873 0.000 . 1598 260 163 LYS HE3 H 1.511 0.000 . 1599 260 163 LYS C C 177.582 0.000 . 1600 260 163 LYS CA C 60.641 0.000 . 1601 260 163 LYS CB C 33.233 0.000 . 1602 260 163 LYS CG C 26.767 0.000 . 1603 260 163 LYS CD C 29.504 0.000 . 1604 260 163 LYS CE C 40.810 0.000 . 1605 260 163 LYS N N 117.926 0.000 . 1606 261 164 ARG H H 8.115 0.000 . 1607 261 164 ARG HA H 3.867 0.000 . 1608 261 164 ARG HB2 H 2.039 0.000 . 1609 261 164 ARG HB3 H 2.039 0.000 . 1610 261 164 ARG HG2 H 1.882 0.000 . 1611 261 164 ARG HG3 H 1.692 0.000 . 1612 261 164 ARG HD2 H 3.315 0.000 . 1613 261 164 ARG HD3 H 3.254 0.000 . 1614 261 164 ARG HE H 7.442 0.000 . 1615 261 164 ARG C C 177.953 0.000 . 1616 261 164 ARG CA C 60.101 0.000 . 1617 261 164 ARG CB C 30.326 0.000 . 1618 261 164 ARG CG C 27.969 0.000 . 1619 261 164 ARG CD C 44.031 0.000 . 1620 261 164 ARG N N 119.103 0.000 . 1621 261 164 ARG NE N 84.480 0.000 . 1622 262 165 ASN H H 8.655 0.000 . 1623 262 165 ASN HA H 4.634 0.000 . 1624 262 165 ASN HB2 H 2.981 0.000 . 1625 262 165 ASN HB3 H 2.981 0.000 . 1626 262 165 ASN HD21 H 7.066 0.000 . 1627 262 165 ASN HD22 H 7.750 0.000 . 1628 262 165 ASN C C 177.478 0.000 . 1629 262 165 ASN CA C 55.687 0.000 . 1630 262 165 ASN CB C 37.970 0.000 . 1631 262 165 ASN N N 117.394 0.000 . 1632 262 165 ASN ND2 N 111.215 0.000 . 1633 263 166 ALA H H 8.398 0.000 . 1634 263 166 ALA HA H 3.881 0.000 . 1635 263 166 ALA HB H 1.488 0.000 . 1636 263 166 ALA C C 178.581 0.000 . 1637 263 166 ALA CA C 55.728 0.000 . 1638 263 166 ALA CB C 16.926 0.000 . 1639 263 166 ALA N N 124.454 0.000 . 1640 264 167 ALA H H 8.255 0.000 . 1641 264 167 ALA HA H 3.944 0.000 . 1642 264 167 ALA HB H 1.641 0.000 . 1643 264 167 ALA C C 179.357 0.000 . 1644 264 167 ALA CA C 55.767 0.000 . 1645 264 167 ALA CB C 17.934 0.000 . 1646 264 167 ALA N N 119.502 0.000 . 1647 265 168 GLU H H 8.721 0.000 . 1648 265 168 GLU HA H 3.979 0.000 . 1649 265 168 GLU HB2 H 2.279 0.000 . 1650 265 168 GLU HB3 H 2.219 0.000 . 1651 265 168 GLU HG2 H 2.419 0.000 . 1652 265 168 GLU HG3 H 2.419 0.000 . 1653 265 168 GLU C C 178.915 0.000 . 1654 265 168 GLU CA C 60.109 0.000 . 1655 265 168 GLU CB C 29.821 0.000 . 1656 265 168 GLU CG C 36.496 0.000 . 1657 265 168 GLU N N 118.228 0.000 . 1658 266 169 ASN H H 8.228 0.000 . 1659 266 169 ASN HA H 4.653 0.000 . 1660 266 169 ASN HB2 H 3.005 0.000 . 1661 266 169 ASN HB3 H 2.915 0.000 . 1662 266 169 ASN HD21 H 6.854 0.000 . 1663 266 169 ASN HD22 H 7.991 0.000 . 1664 266 169 ASN C C 178.474 0.000 . 1665 266 169 ASN CA C 55.521 0.000 . 1666 266 169 ASN CB C 37.470 0.000 . 1667 266 169 ASN N N 118.454 0.000 . 1668 266 169 ASN ND2 N 111.193 0.000 . 1669 267 170 MET H H 8.462 0.000 . 1670 267 170 MET HA H 4.573 0.000 . 1671 267 170 MET HB2 H 2.329 0.000 . 1672 267 170 MET HB3 H 1.871 0.000 . 1673 267 170 MET HG2 H 2.396 0.000 . 1674 267 170 MET HG3 H 2.290 0.000 . 1675 267 170 MET HE H 1.986 0.000 . 1676 267 170 MET C C 177.314 0.000 . 1677 267 170 MET CA C 56.398 0.000 . 1678 267 170 MET CB C 30.105 0.000 . 1679 267 170 MET CG C 33.136 0.000 . 1680 267 170 MET CE C 17.074 0.000 . 1681 267 170 MET N N 121.365 0.000 . 1682 268 171 LEU H H 8.679 0.000 . 1683 268 171 LEU HA H 3.894 0.000 . 1684 268 171 LEU HB2 H 2.225 0.000 . 1685 268 171 LEU HB3 H 1.398 0.000 . 1686 268 171 LEU HG H 1.902 0.000 . 1687 268 171 LEU HD1 H 1.000 0.000 . 1688 268 171 LEU HD2 H 0.676 0.000 . 1689 268 171 LEU C C 178.737 0.000 . 1690 268 171 LEU CA C 58.914 0.000 . 1691 268 171 LEU CB C 41.121 0.000 . 1692 268 171 LEU CG C 27.024 0.000 . 1693 268 171 LEU CD1 C 26.416 0.000 . 1694 268 171 LEU CD2 C 24.541 0.000 . 1695 268 171 LEU N N 120.514 0.000 . 1696 269 172 GLU H H 7.605 0.000 . 1697 269 172 GLU HA H 4.135 0.000 . 1698 269 172 GLU HB2 H 2.305 0.000 . 1699 269 172 GLU HB3 H 2.229 0.000 . 1700 269 172 GLU HG2 H 2.425 0.000 . 1701 269 172 GLU HG3 H 2.285 0.000 . 1702 269 172 GLU C C 180.138 0.000 . 1703 269 172 GLU CA C 59.615 0.000 . 1704 269 172 GLU CB C 29.353 0.000 . 1705 269 172 GLU CG C 36.093 0.000 . 1706 269 172 GLU N N 117.587 0.000 . 1707 270 173 ILE H H 7.798 0.000 . 1708 270 173 ILE HA H 3.707 0.000 . 1709 270 173 ILE HB H 2.155 0.000 . 1710 270 173 ILE HG12 H 1.241 0.000 . 1711 270 173 ILE HG13 H 1.241 0.000 . 1712 270 173 ILE HG2 H 0.684 0.000 . 1713 270 173 ILE HD1 H 0.996 0.000 . 1714 270 173 ILE C C 178.283 0.000 . 1715 270 173 ILE CA C 65.123 0.000 . 1716 270 173 ILE CB C 37.954 0.000 . 1717 270 173 ILE CG1 C 29.379 0.000 . 1718 270 173 ILE CG2 C 16.815 0.000 . 1719 270 173 ILE CD1 C 14.187 0.000 . 1720 270 173 ILE N N 122.597 0.000 . 1721 271 174 LEU H H 8.085 0.000 . 1722 271 174 LEU HA H 4.002 0.000 . 1723 271 174 LEU HB2 H 1.821 0.000 . 1724 271 174 LEU HB3 H 1.627 0.000 . 1725 271 174 LEU HG H 1.729 0.000 . 1726 271 174 LEU HD1 H 0.766 0.000 . 1727 271 174 LEU HD2 H 0.563 0.000 . 1728 271 174 LEU C C 176.877 0.000 . 1729 271 174 LEU CA C 55.216 0.000 . 1730 271 174 LEU CB C 42.367 0.000 . 1731 271 174 LEU CG C 25.976 0.000 . 1732 271 174 LEU CD1 C 26.029 0.000 . 1733 271 174 LEU CD2 C 20.996 0.000 . 1734 271 174 LEU N N 116.628 0.000 . 1735 272 175 GLY H H 7.691 0.000 . 1736 272 175 GLY HA2 H 3.987 0.000 . 1737 272 175 GLY HA3 H 3.785 0.000 . 1738 272 175 GLY C C 174.655 0.000 . 1739 272 175 GLY CA C 45.617 0.000 . 1740 272 175 GLY N N 105.972 0.000 . 1741 273 176 PHE H H 8.231 0.000 . 1742 273 176 PHE HA H 4.652 0.000 . 1743 273 176 PHE HB2 H 3.255 0.000 . 1744 273 176 PHE HB3 H 2.692 0.000 . 1745 273 176 PHE HD1 H 7.156 0.000 . 1746 273 176 PHE HD2 H 7.156 0.000 . 1747 273 176 PHE HE1 H 7.311 0.000 . 1748 273 176 PHE HE2 H 7.311 0.000 . 1749 273 176 PHE HZ H 7.290 0.000 . 1750 273 176 PHE C C 174.207 0.000 . 1751 273 176 PHE CA C 57.689 0.000 . 1752 273 176 PHE CB C 40.197 0.000 . 1753 273 176 PHE CD1 C 131.577 0.000 . 1754 273 176 PHE CE1 C 131.424 0.000 . 1755 273 176 PHE CZ C 129.755 0.000 . 1756 273 176 PHE N N 119.611 0.000 . 1757 274 177 LYS H H 7.720 0.000 . 1758 274 177 LYS HA H 4.169 0.000 . 1759 274 177 LYS HB2 H 1.816 0.000 . 1760 274 177 LYS HB3 H 1.654 0.000 . 1761 274 177 LYS HG2 H 1.403 0.000 . 1762 274 177 LYS HG3 H 1.403 0.000 . 1763 274 177 LYS CA C 57.888 0.000 . 1764 274 177 LYS CB C 34.081 0.000 . 1765 274 177 LYS CG C 24.919 0.000 . 1766 274 177 LYS N N 126.303 0.000 . stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCA' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D HBHA(CO)NH' '3D HcccoNH-TOCSY' '3D CccoNH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' '2D 1H-1H, 13C 2F-filtered NOESY' '3D 13C 1F-filtered 2F-edited HSQC-NOESY' '3D 1H-13C NOESY ribose' '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '2D 13C 1F-filtered 2F-filtered NOESY' '3D HCCH-COSY aromatic' '3D HA(CO)NH' '2D 1H-13C HSQC aromatic' '2D 1H-1H, 13C 1F-filtered 2F-filtered NOESY' '2D 1H-13C HSQC ribose' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_6 $sample_5 $sample_3 $sample_4 $sample_7 $sample_8 $sample_9 $sample_10 $sample_11 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 G H1' H 5.849 . . 2 1 1 G H2' H 4.960 . . 3 1 1 G H3' H 4.746 . . 4 1 1 G H4' H 4.592 . . 5 1 1 G H5' H 4.422 . . 6 1 1 G H5'' H 4.301 . . 7 1 1 G H8 H 8.145 . . 8 1 1 G C1' C 88.296 . . 9 1 1 G C2' C 72.388 . . 10 1 1 G C3' C 72.517 . . 11 1 1 G C4' C 81.055 . . 12 1 1 G C5' C 64.991 . . 13 2 2 G H1' H 5.925 . . 14 2 2 G H2' H 4.601 . . 15 2 2 G H3' H 4.571 . . 16 2 2 G H4' H 4.580 . . 17 2 2 G H5' H 4.518 . . 18 2 2 G H5'' H 4.332 . . 19 2 2 G H8 H 7.635 . . 20 2 2 G C1' C 90.357 . . 21 2 2 G C2' C 72.755 . . 22 2 2 G C3' C 70.664 . . 23 2 2 G C4' C 80.051 . . 24 2 2 G C5' C 63.911 . . 25 3 3 C H1' H 5.548 . . 26 3 3 C H2' H 4.598 . . 27 3 3 C H3' H 4.553 . . 28 3 3 C H4' H 4.472 . . 29 3 3 C H5 H 5.279 . . 30 3 3 C H5' H 4.579 . . 31 3 3 C H5'' H 4.151 . . 32 3 3 C H6 H 7.656 . . 33 3 3 C C1' C 91.238 . . 34 3 3 C C2' C 72.805 . . 35 3 3 C C3' C 69.694 . . 36 3 3 C C4' C 79.700 . . 37 3 3 C C5 C 94.900 . . 38 3 3 C C5' C 62.065 . . 39 4 4 A H1' H 5.983 . . 40 4 4 A H2 H 6.984 . . 41 4 4 A H2' H 4.742 . . 42 4 4 A H3' H 4.681 . . 43 4 4 A H4' H 4.531 . . 44 4 4 A H5' H 4.557 . . 45 4 4 A H5'' H 4.192 . . 46 4 4 A H8 H 7.961 . . 47 4 4 A C1' C 90.346 . . 48 4 4 A C2' C 73.185 . . 49 4 4 A C3' C 70.594 . . 50 4 4 A C4' C 79.404 . . 51 4 4 A C5' C 62.872 . . 52 5 5 G H1' H 5.541 . . 53 5 5 G H2' H 4.540 . . 54 5 5 G H3' H 4.435 . . 55 5 5 G H4' H 4.458 . . 56 5 5 G H5' H 4.448 . . 57 5 5 G H5'' H 4.075 . . 58 5 5 G H8 H 7.068 . . 59 5 5 G C1' C 90.082 . . 60 5 5 G C2' C 72.766 . . 61 5 5 G C3' C 70.568 . . 62 5 5 G C4' C 79.604 . . 63 5 5 G C5' C 63.525 . . 64 6 6 A H1' H 5.906 . . 65 6 6 A H2 H 7.159 . . 66 6 6 A H2' H 4.604 . . 67 6 6 A H3' H 4.679 . . 68 6 6 A H4' H 4.518 . . 69 6 6 A H5' H 4.575 . . 70 6 6 A H5'' H 4.143 . . 71 6 6 A H8 H 7.653 . . 72 6 6 A C1' C 90.389 . . 73 6 6 A C2' C 72.994 . . 74 6 6 A C3' C 70.100 . . 75 6 6 A C4' C 79.200 . . 76 6 6 A C5' C 62.332 . . 77 7 7 A H1' H 5.966 . . 78 7 7 A H2 H 7.401 . . 79 7 7 A H2' H 4.603 . . 80 7 7 A H3' H 4.610 . . 81 7 7 A H4' H 4.514 . . 82 7 7 A H5' H 4.562 . . 83 7 7 A H5'' H 4.153 . . 84 7 7 A H8 H 7.708 . . 85 7 7 A C1' C 89.618 . . 86 7 7 A C2' C 73.487 . . 87 7 7 A C3' C 70.561 . . 88 7 7 A C4' C 79.496 . . 89 7 7 A C5' C 62.677 . . 90 8 8 G H1' H 5.623 . . 91 8 8 G H2' H 4.637 . . 92 8 8 G H3' H 4.191 . . 93 8 8 G H4' H 4.508 . . 94 8 8 G H5' H 4.374 . . 95 8 8 G H5'' H 4.032 . . 96 8 8 G H8 H 7.006 . . 97 8 8 G C1' C 90.828 . . 98 8 8 G C2' C 72.507 . . 99 8 8 G C3' C 70.916 . . 100 8 8 G C4' C 79.836 . . 101 8 8 G C5' C 64.466 . . 102 9 9 C H1' H 5.558 . . 103 9 9 C H2' H 4.313 . . 104 9 9 C H3' H 4.514 . . 105 9 9 C H4' H 4.473 . . 106 9 9 C H5 H 5.284 . . 107 9 9 C H6 H 7.680 . . 108 9 9 C C1' C 91.391 . . 109 9 9 C C2' C 73.034 . . 110 9 9 C C3' C 69.393 . . 111 9 9 C C4' C 79.700 . . 112 9 9 C C5 C 94.780 . . 113 10 10 U H1' H 5.583 . . 114 10 10 U H2' H 4.670 . . 115 10 10 U H3' H 4.635 . . 116 10 10 U H4' H 4.478 . . 117 10 10 U H5 H 5.394 . . 118 10 10 U H5' H 4.580 . . 119 10 10 U H5'' H 4.143 . . 120 10 10 U H6 H 7.864 . . 121 10 10 U C1' C 91.415 . . 122 10 10 U C2' C 72.649 . . 123 10 10 U C3' C 70.004 . . 124 10 10 U C4' C 79.700 . . 125 10 10 U C5 C 101.117 . . 126 10 10 U C5' C 62.127 . . 127 11 11 G H1' H 5.839 . . 128 11 11 G H2' H 4.529 . . 129 11 11 G H3' H 4.627 . . 130 11 11 G H4' H 4.543 . . 131 11 11 G H5' H 4.557 . . 132 11 11 G H5'' H 4.207 . . 133 11 11 G H8 H 7.793 . . 134 11 11 G C1' C 90.101 . . 135 11 11 G C2' C 72.694 . . 136 11 11 G C3' C 70.427 . . 137 11 11 G C4' C 79.586 . . 138 11 11 G C5' C 63.035 . . 139 12 12 C H1' H 5.513 . . 140 12 12 C H2' H 4.394 . . 141 12 12 C H3' H 4.472 . . 142 12 12 C H4' H 4.455 . . 143 12 12 C H5 H 5.255 . . 144 12 12 C H6 H 7.723 . . 145 12 12 C C1' C 91.437 . . 146 12 12 C C2' C 72.882 . . 147 12 12 C C3' C 69.415 . . 148 12 12 C C4' C 79.550 . . 149 12 12 C C5 C 94.403 . . 150 13 13 C H1' H 5.522 . . 151 13 13 C H2' H 4.388 . . 152 13 13 C H3' H 4.560 . . 153 13 13 C H4' H 4.469 . . 154 13 13 C H5 H 5.528 . . 155 13 13 C H5' H 4.548 . . 156 13 13 C H5'' H 4.120 . . 157 13 13 C H6 H 7.797 . . 158 13 13 C C1' C 91.498 . . 159 13 13 C C2' C 72.806 . . 160 13 13 C C3' C 69.910 . . 161 13 13 C C4' C 79.550 . . 162 13 13 C C5 C 95.148 . . 163 13 13 C C5' C 61.994 . . 164 14 14 U H1' H 5.560 . . 165 14 14 U H2' H 4.449 . . 166 14 14 U H3' H 4.560 . . 167 14 14 U H4' H 4.479 . . 168 14 14 U H5 H 5.425 . . 169 14 14 U H5' H 4.600 . . 170 14 14 U H5'' H 4.127 . . 171 14 14 U H6 H 7.956 . . 172 14 14 U C1' C 91.280 . . 173 14 14 U C2' C 72.906 . . 174 14 14 U C3' C 69.600 . . 175 14 14 U C4' C 79.700 . . 176 14 14 U C5 C 100.666 . . 177 14 14 U C5' C 61.802 . . 178 15 15 C H1' H 5.575 . . 179 15 15 C H2' H 4.575 . . 180 15 15 C H3' H 4.337 . . 181 15 15 C H4' H 4.473 . . 182 15 15 C H5 H 5.646 . . 183 15 15 C H5' H 4.545 . . 184 15 15 C H5'' H 4.112 . . 185 15 15 C H6 H 7.794 . . 186 15 15 C C1' C 91.272 . . 187 15 15 C C2' C 72.671 . . 188 15 15 C C3' C 69.387 . . 189 15 15 C C4' C 79.510 . . 190 15 15 C C5 C 94.842 . . 191 15 15 C C5' C 61.740 . . 192 16 16 U H1' H 5.541 . . 193 16 16 U H2' H 3.765 . . 194 16 16 U H3' H 4.564 . . 195 16 16 U H4' H 4.376 . . 196 16 16 U H5 H 5.753 . . 197 16 16 U H5' H 4.534 . . 198 16 16 U H5'' H 4.115 . . 199 16 16 U H6 H 7.792 . . 200 16 16 U C1' C 91.799 . . 201 16 16 U C2' C 73.242 . . 202 16 16 U C3' C 70.446 . . 203 16 16 U C4' C 79.814 . . 204 16 16 U C5 C 102.377 . . 205 16 16 U C5' C 61.339 . . 206 17 17 U H1' H 6.119 . . 207 17 17 U H2' H 4.043 . . 208 17 17 U H3' H 4.675 . . 209 17 17 U H4' H 4.507 . . 210 17 17 U H5 H 5.888 . . 211 17 17 U H5' H 4.263 . . 212 17 17 U H5'' H 4.061 . . 213 17 17 U H6 H 8.054 . . 214 17 17 U C1' C 86.642 . . 215 17 17 U C2' C 75.123 . . 216 17 17 U C3' C 71.946 . . 217 17 17 U C4' C 84.352 . . 218 17 17 U C5 C 102.855 . . 219 17 17 U C5' C 65.197 . . 220 18 18 C H1' H 5.967 . . 221 18 18 C H2' H 4.114 . . 222 18 18 C H3' H 4.511 . . 223 18 18 C H4' H 3.819 . . 224 18 18 C H5 H 6.154 . . 225 18 18 C H5' H 3.569 . . 226 18 18 C H5'' H 2.821 . . 227 18 18 C H6 H 7.695 . . 228 18 18 C C1' C 86.466 . . 229 18 18 C C2' C 74.950 . . 230 18 18 C C3' C 77.633 . . 231 18 18 C C4' C 81.819 . . 232 18 18 C C5 C 95.961 . . 233 18 18 C C5' C 64.759 . . 234 19 19 G H1' H 5.982 . . 235 19 19 G H2' H 4.866 . . 236 19 19 G H3' H 5.646 . . 237 19 19 G H4' H 4.434 . . 238 19 19 G H5' H 4.423 . . 239 19 19 G H5'' H 4.219 . . 240 19 19 G H8 H 7.883 . . 241 19 19 G C1' C 91.883 . . 242 19 19 G C2' C 74.677 . . 243 19 19 G C3' C 73.301 . . 244 19 19 G C4' C 80.550 . . 245 19 19 G C5' C 66.405 . . 246 20 20 G H1' H 4.485 . . 247 20 20 G H2' H 4.556 . . 248 20 20 G H3' H 4.356 . . 249 20 20 G H4' H 4.435 . . 250 20 20 G H5' H 4.544 . . 251 20 20 G H5'' H 4.315 . . 252 20 20 G H8 H 8.304 . . 253 20 20 G C1' C 90.455 . . 254 20 20 G C2' C 72.461 . . 255 20 20 G C3' C 71.993 . . 256 20 20 G C4' C 80.256 . . 257 20 20 G C5' C 67.098 . . 258 21 21 A H1' H 6.006 . . 259 21 21 A H2 H 7.513 . . 260 21 21 A H2' H 4.720 . . 261 21 21 A H3' H 4.679 . . 262 21 21 A H4' H 4.473 . . 263 21 21 A H5' H 4.547 . . 264 21 21 A H5'' H 4.106 . . 265 21 21 A H8 H 7.768 . . 266 21 21 A C1' C 90.332 . . 267 21 21 A C2' C 73.290 . . 268 21 21 A C3' C 69.873 . . 269 21 21 A C4' C 79.468 . . 270 21 21 A C5' C 61.714 . . 271 22 22 G H1' H 5.654 . . 272 22 22 G H2' H 4.590 . . 273 22 22 G H3' H 4.406 . . 274 22 22 G H4' H 4.489 . . 275 22 22 G H5' H 4.444 . . 276 22 22 G H5'' H 4.063 . . 277 22 22 G H8 H 7.079 . . 278 22 22 G C1' C 89.997 . . 279 22 22 G C2' C 72.934 . . 280 22 22 G C3' C 70.608 . . 281 22 22 G C4' C 79.439 . . 282 22 22 G C5' C 63.431 . . 283 23 23 G H1' H 5.752 . . 284 23 23 G H2' H 4.518 . . 285 23 23 G H3' H 4.443 . . 286 23 23 G H4' H 4.474 . . 287 23 23 G H5' H 4.483 . . 288 23 23 G H5'' H 4.068 . . 289 23 23 G H8 H 7.172 . . 290 23 23 G C1' C 90.431 . . 291 23 23 G C2' C 72.750 . . 292 23 23 G C3' C 70.336 . . 293 23 23 G C4' C 79.186 . . 294 23 23 G C5' C 62.877 . . 295 24 24 C H1' H 5.520 . . 296 24 24 C H2' H 4.594 . . 297 24 24 C H3' H 4.506 . . 298 24 24 C H4' H 4.456 . . 299 24 24 C H5 H 5.213 . . 300 24 24 C H5' H 4.563 . . 301 24 24 C H5'' H 4.101 . . 302 24 24 C H6 H 7.584 . . 303 24 24 C C1' C 91.226 . . 304 24 24 C C2' C 72.716 . . 305 24 24 C C3' C 69.761 . . 306 24 24 C C4' C 79.550 . . 307 24 24 C C5 C 94.808 . . 308 24 24 C C5' C 61.960 . . 309 25 25 A H1' H 5.967 . . 310 25 25 A H2 H 7.119 . . 311 25 25 A H2' H 4.790 . . 312 25 25 A H3' H 4.678 . . 313 25 25 A H4' H 4.514 . . 314 25 25 A H5' H 4.556 . . 315 25 25 A H5'' H 4.196 . . 316 25 25 A H8 H 7.984 . . 317 25 25 A C1' C 90.356 . . 318 25 25 A C2' C 73.132 . . 319 25 25 A C3' C 70.660 . . 320 25 25 A C4' C 79.496 . . 321 25 25 A C5' C 62.929 . . 322 26 26 G H1' H 5.599 . . 323 26 26 G H2' H 4.605 . . 324 26 26 G H3' H 4.310 . . 325 26 26 G H4' H 4.497 . . 326 26 26 G H5' H 4.498 . . 327 26 26 G H5'' H 4.101 . . 328 26 26 G H8 H 7.154 . . 329 26 26 G C1' C 90.335 . . 330 26 26 G C2' C 72.754 . . 331 26 26 G C3' C 70.298 . . 332 26 26 G C4' C 79.540 . . 333 26 26 G C5' C 63.098 . . 334 27 27 U H1' H 5.520 . . 335 27 27 U H2' H 4.210 . . 336 27 27 U H3' H 4.556 . . 337 27 27 U H4' H 4.456 . . 338 27 27 U H5 H 5.391 . . 339 27 27 U H5' H 4.523 . . 340 27 27 U H5'' H 4.096 . . 341 27 27 U H6 H 7.704 . . 342 27 27 U C1' C 91.208 . . 343 27 27 U C2' C 73.192 . . 344 27 27 U C3' C 69.881 . . 345 27 27 U C4' C 79.500 . . 346 27 27 U C5 C 101.505 . . 347 27 27 U C5' C 61.561 . . 348 28 28 U H1' H 5.702 . . 349 28 28 U H2' H 4.544 . . 350 28 28 U H3' H 4.561 . . 351 28 28 U H4' H 4.461 . . 352 28 28 U H5 H 5.612 . . 353 28 28 U H5' H 4.579 . . 354 28 28 U H5'' H 4.164 . . 355 28 28 U H6 H 8.037 . . 356 28 28 U C1' C 90.838 . . 357 28 28 U C2' C 72.647 . . 358 28 28 U C3' C 70.308 . . 359 28 28 U C4' C 79.591 . . 360 28 28 U C5 C 100.900 . . 361 28 28 U C5' C 62.526 . . 362 29 29 U H1' H 5.649 . . 363 29 29 U H2' H 4.528 . . 364 29 29 U H3' H 4.512 . . 365 29 29 U H4' H 4.515 . . 366 29 29 U H5 H 5.623 . . 367 29 29 U H5' H 4.554 . . 368 29 29 U H5'' H 4.193 . . 369 29 29 U H6 H 7.996 . . 370 29 29 U C1' C 91.232 . . 371 29 29 U C2' C 72.723 . . 372 29 29 U C3' C 70.284 . . 373 29 29 U C4' C 79.569 . . 374 29 29 U C5 C 100.790 . . 375 29 29 U C5' C 62.800 . . 376 30 30 C H1' H 5.531 . . 377 30 30 C H2' H 4.318 . . 378 30 30 C H3' H 4.483 . . 379 30 30 C H4' H 4.497 . . 380 30 30 C H5 H 5.675 . . 381 30 30 C H5' H 4.577 . . 382 30 30 C H5'' H 4.140 . . 383 30 30 C H6 H 7.873 . . 384 30 30 C C1' C 91.526 . . 385 30 30 C C2' C 72.928 . . 386 30 30 C C3' C 69.881 . . 387 30 30 C C4' C 79.800 . . 388 30 30 C C5 C 94.849 . . 389 30 30 C C5' C 62.130 . . 390 31 31 U H1' H 5.489 . . 391 31 31 U H2' H 4.612 . . 392 31 31 U H3' H 4.624 . . 393 31 31 U H4' H 4.469 . . 394 31 31 U H5 H 5.375 . . 395 31 31 U H5' H 4.572 . . 396 31 31 U H5'' H 4.131 . . 397 31 31 U H6 H 7.838 . . 398 31 31 U C1' C 90.909 . . 399 31 31 U C2' C 72.541 . . 400 31 31 U C3' C 69.950 . . 401 31 31 U C4' C 79.700 . . 402 31 31 U C5 C 100.973 . . 403 31 31 U C5' C 61.856 . . 404 32 32 G H1' H 5.803 . . 405 32 32 G H2' H 4.519 . . 406 32 32 G H3' H 4.617 . . 407 32 32 G H4' H 4.513 . . 408 32 32 G H5' H 4.559 . . 409 32 32 G H5'' H 4.175 . . 410 32 32 G H8 H 7.779 . . 411 32 32 G C1' C 90.237 . . 412 32 32 G C2' C 72.704 . . 413 32 32 G C3' C 70.237 . . 414 32 32 G C4' C 79.465 . . 415 32 32 G C5' C 62.749 . . 416 33 33 C H1' H 5.503 . . 417 33 33 C H2' H 4.248 . . 418 33 33 C H3' H 4.471 . . 419 33 33 C H4' H 4.444 . . 420 33 33 C H5 H 5.222 . . 421 33 33 C H5' H 4.585 . . 422 33 33 C H5'' H 4.093 . . 423 33 33 C H6 H 7.690 . . 424 33 33 C C1' C 91.039 . . 425 33 33 C C2' C 72.973 . . 426 33 33 C C3' C 69.600 . . 427 33 33 C C4' C 79.800 . . 428 33 33 C C5 C 94.295 . . 429 33 33 C C5' C 61.683 . . 430 34 34 C H1' H 5.794 . . 431 34 34 C H2' H 4.032 . . 432 34 34 C H3' H 4.204 . . 433 34 34 C H4' H 4.194 . . 434 34 34 C H5 H 5.532 . . 435 34 34 C H5' H 4.489 . . 436 34 34 C H5'' H 4.054 . . 437 34 34 C H6 H 7.686 . . 438 34 34 C C1' C 90.265 . . 439 34 34 C C2' C 74.973 . . 440 34 34 C C3' C 67.167 . . 441 34 34 C C4' C 80.882 . . 442 34 34 C C5 C 95.585 . . 443 34 34 C C5' C 62.558 . . stop_ save_