data_34422 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Staufen1 dsRBD4 - hARF1 SBS dsRNA complex. ; _BMRB_accession_number 34422 _BMRB_flat_file_name bmr34422.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" 716 "13C chemical shifts" 506 "15N chemical shifts" 80 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 8392.697 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; GSHMNPISRLAQIQQAKKEK EPEYTLLTERGLPRRREFVM QVKVGNHTAEGTGTNKKVAK RNAAENMLEILGFK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 201 GLY 2 202 SER 3 203 HIS 4 204 MET 5 205 ASN 6 206 PRO 7 207 ILE 8 208 SER 9 209 ARG 10 210 LEU 11 211 ALA 12 212 GLN 13 213 ILE 14 214 GLN 15 215 GLN 16 216 ALA 17 217 LYS 18 218 LYS 19 219 GLU 20 220 LYS 21 221 GLU 22 222 PRO 23 223 GLU 24 224 TYR 25 225 THR 26 226 LEU 27 227 LEU 28 228 THR 29 229 GLU 30 230 ARG 31 231 GLY 32 232 LEU 33 233 PRO 34 234 ARG 35 235 ARG 36 236 ARG 37 237 GLU 38 238 PHE 39 239 VAL 40 240 MET 41 241 GLN 42 242 VAL 43 243 LYS 44 244 VAL 45 245 GLY 46 246 ASN 47 247 HIS 48 248 THR 49 249 ALA 50 250 GLU 51 251 GLY 52 252 THR 53 253 GLY 54 254 THR 55 255 ASN 56 256 LYS 57 257 LYS 58 258 VAL 59 259 ALA 60 260 LYS 61 261 ARG 62 262 ASN 63 263 ALA 64 264 ALA 65 265 GLU 66 266 ASN 67 267 MET 68 268 LEU 69 269 GLU 70 270 ILE 71 271 LEU 72 272 GLY 73 273 PHE 74 274 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% H20/5-10% D20' 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% H20/5-10% D20' 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% H20/5-10% D20' 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 dsRBD4, 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_ ############################ # 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' . . 'Keller, Damberger, 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_1H-1H,_13C_1F-filtered_2F-filtered_NOESY_25 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H, 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-13C_HSQC_aromatic_30 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_31 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_32 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_6 save_ save_2D_1H-13C_HSQC_aromatic_33 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_ribose_34 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC ribose' _Sample_label $sample_5 save_ save_2D_1H-13C_HSQC_aromatic_35 _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 1H-1H, 13C 1F-filtered 2F-filtered NOESY' '3D HCCH-COSY aromatic' '2D 1H-13C HSQC aromatic' '2D 1H-13C HSQC ribose' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_6 $sample_5 $sample_3 $sample_4 $sample_7 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 1 201 1 GLY H H 8.369 0.000 . 2 201 1 GLY HA2 H 3.845 0.000 . 3 201 1 GLY HA3 H 3.845 0.000 . 4 201 1 GLY C C 172.780 0.000 . 5 201 1 GLY CA C 45.337 0.000 . 6 201 1 GLY N N 108.229 0.000 . 7 202 2 SER H H 8.588 0.000 . 8 202 2 SER HA H 4.590 0.000 . 9 202 2 SER CA C 63.268 0.000 . 10 202 2 SER CB C 68.731 0.000 . 11 202 2 SER N N 110.576 0.000 . 12 203 3 HIS HA H 4.672 0.000 . 13 203 3 HIS HB2 H 3.197 0.000 . 14 203 3 HIS HB3 H 3.128 0.000 . 15 203 3 HIS HD2 H 7.156 0.000 . 16 203 3 HIS HE1 H 8.151 0.000 . 17 203 3 HIS C C 174.906 0.000 . 18 203 3 HIS CA C 56.124 0.000 . 19 203 3 HIS CB C 30.272 0.000 . 20 203 3 HIS CD2 C 119.881 0.000 . 21 203 3 HIS CE1 C 137.861 0.000 . 22 204 4 MET H H 8.360 0.000 . 23 204 4 MET HA H 4.447 0.000 . 24 204 4 MET HB2 H 1.971 0.000 . 25 204 4 MET HB3 H 1.971 0.000 . 26 204 4 MET HG2 H 2.528 0.000 . 27 204 4 MET HG3 H 2.528 0.000 . 28 204 4 MET HE H 2.075 0.000 . 29 204 4 MET C C 175.346 0.000 . 30 204 4 MET CA C 55.387 0.000 . 31 204 4 MET CB C 33.605 0.000 . 32 204 4 MET CG C 31.811 0.000 . 33 204 4 MET CE C 16.833 0.000 . 34 204 4 MET N N 122.023 0.000 . 35 205 5 ASN H H 8.717 0.000 . 36 205 5 ASN HA H 4.870 0.000 . 37 205 5 ASN HB2 H 2.950 0.000 . 38 205 5 ASN HB3 H 2.950 0.000 . 39 205 5 ASN HD21 H 6.990 0.000 . 40 205 5 ASN HD22 H 7.829 0.000 . 41 205 5 ASN CA C 51.882 0.000 . 42 205 5 ASN CB C 39.325 0.000 . 43 205 5 ASN N N 123.864 0.000 . 44 205 5 ASN ND2 N 114.761 0.000 . 45 206 6 PRO HA H 4.248 0.000 . 46 206 6 PRO HB2 H 2.322 0.000 . 47 206 6 PRO HB3 H 1.911 0.000 . 48 206 6 PRO HG2 H 1.884 0.000 . 49 206 6 PRO HG3 H 1.693 0.000 . 50 206 6 PRO HD2 H 3.951 0.000 . 51 206 6 PRO HD3 H 3.800 0.000 . 52 206 6 PRO C C 177.596 0.000 . 53 206 6 PRO CA C 65.381 0.000 . 54 206 6 PRO CB C 32.383 0.000 . 55 206 6 PRO CG C 28.020 0.000 . 56 206 6 PRO CD C 50.727 0.000 . 57 207 7 ILE H H 8.167 0.000 . 58 207 7 ILE HA H 3.577 0.000 . 59 207 7 ILE HB H 1.762 0.000 . 60 207 7 ILE HG12 H 0.920 0.000 . 61 207 7 ILE HG13 H 0.920 0.000 . 62 207 7 ILE HG2 H 1.020 0.000 . 63 207 7 ILE HD1 H 0.844 0.000 . 64 207 7 ILE C C 179.799 0.000 . 65 207 7 ILE CA C 65.240 0.000 . 66 207 7 ILE CB C 38.875 0.000 . 67 207 7 ILE CG1 C 29.948 0.000 . 68 207 7 ILE CG2 C 17.338 0.000 . 69 207 7 ILE CD1 C 14.890 0.000 . 70 207 7 ILE N N 118.567 0.000 . 71 208 8 SER H H 7.485 0.000 . 72 208 8 SER HA H 4.339 0.000 . 73 208 8 SER HB2 H 4.019 0.000 . 74 208 8 SER HB3 H 3.983 0.000 . 75 208 8 SER C C 176.493 0.000 . 76 208 8 SER CA C 60.992 0.000 . 77 208 8 SER CB C 62.390 0.000 . 78 208 8 SER N N 116.671 0.000 . 79 209 9 ARG H H 8.380 0.000 . 80 209 9 ARG HA H 4.005 0.000 . 81 209 9 ARG HB2 H 1.859 0.000 . 82 209 9 ARG HB3 H 1.781 0.000 . 83 209 9 ARG HG2 H 1.595 0.000 . 84 209 9 ARG HG3 H 1.595 0.000 . 85 209 9 ARG HD2 H 3.250 0.000 . 86 209 9 ARG HD3 H 3.123 0.000 . 87 209 9 ARG C C 177.806 0.000 . 88 209 9 ARG CA C 59.195 0.000 . 89 209 9 ARG CB C 30.292 0.000 . 90 209 9 ARG CG C 27.101 0.000 . 91 209 9 ARG CD C 43.283 0.000 . 92 209 9 ARG N N 122.279 0.000 . 93 210 10 LEU H H 8.278 0.000 . 94 210 10 LEU HA H 4.036 0.000 . 95 210 10 LEU HB2 H 2.007 0.000 . 96 210 10 LEU HB3 H 1.489 0.000 . 97 210 10 LEU HG H 1.592 0.000 . 98 210 10 LEU HD1 H 0.893 0.000 . 99 210 10 LEU HD2 H 0.855 0.000 . 100 210 10 LEU C C 177.760 0.000 . 101 210 10 LEU CA C 57.846 0.000 . 102 210 10 LEU CB C 41.467 0.000 . 103 210 10 LEU CG C 27.093 0.000 . 104 210 10 LEU CD1 C 26.019 0.000 . 105 210 10 LEU CD2 C 23.144 0.000 . 106 210 10 LEU N N 118.991 0.000 . 107 211 11 ALA H H 7.750 0.000 . 108 211 11 ALA HA H 3.936 0.000 . 109 211 11 ALA HB H 1.640 0.000 . 110 211 11 ALA C C 180.604 0.000 . 111 211 11 ALA CA C 55.472 0.000 . 112 211 11 ALA CB C 17.898 0.000 . 113 211 11 ALA N N 119.486 0.000 . 114 212 12 GLN H H 8.205 0.000 . 115 212 12 GLN HA H 4.204 0.000 . 116 212 12 GLN HB2 H 2.299 0.000 . 117 212 12 GLN HB3 H 2.217 0.000 . 118 212 12 GLN HG2 H 2.702 0.000 . 119 212 12 GLN HG3 H 2.424 0.000 . 120 212 12 GLN HE21 H 6.754 0.000 . 121 212 12 GLN HE22 H 7.330 0.000 . 122 212 12 GLN C C 179.018 0.000 . 123 212 12 GLN CA C 59.062 0.000 . 124 212 12 GLN CB C 28.130 0.000 . 125 212 12 GLN CG C 34.193 0.000 . 126 212 12 GLN N N 118.531 0.000 . 127 212 12 GLN NE2 N 110.496 0.000 . 128 213 13 ILE H H 8.144 0.000 . 129 213 13 ILE HA H 3.625 0.000 . 130 213 13 ILE HB H 1.857 0.000 . 131 213 13 ILE HG12 H 0.734 0.000 . 132 213 13 ILE HG13 H 0.734 0.000 . 133 213 13 ILE HG2 H 0.701 0.000 . 134 213 13 ILE HD1 H 0.201 0.000 . 135 213 13 ILE C C 178.399 0.000 . 136 213 13 ILE CA C 65.172 0.000 . 137 213 13 ILE CB C 38.336 0.000 . 138 213 13 ILE CG1 C 29.458 0.000 . 139 213 13 ILE CG2 C 16.453 0.000 . 140 213 13 ILE CD1 C 14.017 0.000 . 141 213 13 ILE N N 122.348 0.000 . 142 214 14 GLN H H 7.534 0.000 . 143 214 14 GLN HA H 3.891 0.000 . 144 214 14 GLN HB2 H 2.190 0.000 . 145 214 14 GLN HB3 H 1.989 0.000 . 146 214 14 GLN HG2 H 2.317 0.000 . 147 214 14 GLN HG3 H 2.317 0.000 . 148 214 14 GLN HE21 H 6.883 0.000 . 149 214 14 GLN HE22 H 7.494 0.000 . 150 214 14 GLN C C 178.350 0.000 . 151 214 14 GLN CA C 58.166 0.000 . 152 214 14 GLN CB C 29.723 0.000 . 153 214 14 GLN CG C 35.401 0.000 . 154 214 14 GLN N N 116.394 0.000 . 155 214 14 GLN NE2 N 108.695 0.000 . 156 215 15 GLN H H 8.115 0.000 . 157 215 15 GLN HA H 4.249 0.000 . 158 215 15 GLN HB2 H 2.329 0.000 . 159 215 15 GLN HB3 H 2.096 0.000 . 160 215 15 GLN HG2 H 2.674 0.000 . 161 215 15 GLN HG3 H 2.508 0.000 . 162 215 15 GLN HE21 H 6.972 0.000 . 163 215 15 GLN HE22 H 7.778 0.000 . 164 215 15 GLN C C 180.510 0.000 . 165 215 15 GLN CA C 58.928 0.000 . 166 215 15 GLN CB C 28.910 0.000 . 167 215 15 GLN CG C 34.307 0.000 . 168 215 15 GLN N N 118.245 0.000 . 169 215 15 GLN NE2 N 112.103 0.000 . 170 216 16 ALA H H 8.385 0.000 . 171 216 16 ALA HA H 4.174 0.000 . 172 216 16 ALA HB H 1.556 0.000 . 173 216 16 ALA C C 179.452 0.000 . 174 216 16 ALA CA C 54.832 0.000 . 175 216 16 ALA CB C 18.052 0.000 . 176 216 16 ALA N N 123.232 0.000 . 177 217 17 LYS H H 7.417 0.000 . 178 217 17 LYS HA H 4.243 0.000 . 179 217 17 LYS HB2 H 1.985 0.000 . 180 217 17 LYS HB3 H 1.698 0.000 . 181 217 17 LYS HG2 H 1.656 0.000 . 182 217 17 LYS HG3 H 1.511 0.000 . 183 217 17 LYS HD2 H 1.653 0.000 . 184 217 17 LYS HD3 H 1.653 0.000 . 185 217 17 LYS HE2 H 2.922 0.000 . 186 217 17 LYS HE3 H 2.922 0.000 . 187 217 17 LYS C C 175.221 0.000 . 188 217 17 LYS CA C 56.452 0.000 . 189 217 17 LYS CB C 33.072 0.000 . 190 217 17 LYS CG C 25.088 0.000 . 191 217 17 LYS CD C 29.434 0.000 . 192 217 17 LYS CE C 41.974 0.000 . 193 217 17 LYS N N 115.213 0.000 . 194 218 18 LYS H H 7.951 0.000 . 195 218 18 LYS HA H 3.977 0.000 . 196 218 18 LYS HB2 H 2.145 0.000 . 197 218 18 LYS HB3 H 1.957 0.000 . 198 218 18 LYS HG2 H 1.418 0.000 . 199 218 18 LYS HG3 H 1.418 0.000 . 200 218 18 LYS HD2 H 1.778 0.000 . 201 218 18 LYS HD3 H 1.705 0.000 . 202 218 18 LYS HE2 H 3.019 0.000 . 203 218 18 LYS HE3 H 3.019 0.000 . 204 218 18 LYS C C 175.813 0.000 . 205 218 18 LYS CA C 57.078 0.000 . 206 218 18 LYS CB C 28.743 0.000 . 207 218 18 LYS CG C 25.034 0.000 . 208 218 18 LYS CD C 29.014 0.000 . 209 218 18 LYS CE C 42.109 0.000 . 210 218 18 LYS N N 116.033 0.000 . 211 219 19 GLU H H 7.797 0.000 . 212 219 19 GLU HA H 4.607 0.000 . 213 219 19 GLU HB2 H 2.171 0.000 . 214 219 19 GLU HB3 H 1.653 0.000 . 215 219 19 GLU HG2 H 2.327 0.000 . 216 219 19 GLU HG3 H 2.284 0.000 . 217 219 19 GLU C C 177.671 0.000 . 218 219 19 GLU CA C 54.308 0.000 . 219 219 19 GLU CB C 34.304 0.000 . 220 219 19 GLU CG C 36.948 0.000 . 221 219 19 GLU N N 117.682 0.000 . 222 220 20 LYS H H 8.076 0.000 . 223 220 20 LYS HA H 4.090 0.000 . 224 220 20 LYS HB2 H 1.897 0.000 . 225 220 20 LYS HB3 H 1.818 0.000 . 226 220 20 LYS HG2 H 1.705 0.000 . 227 220 20 LYS HG3 H 1.622 0.000 . 228 220 20 LYS HD2 H 1.758 0.000 . 229 220 20 LYS HD3 H 1.758 0.000 . 230 220 20 LYS HE2 H 3.069 0.000 . 231 220 20 LYS HE3 H 3.069 0.000 . 232 220 20 LYS C C 175.994 0.000 . 233 220 20 LYS CA C 57.156 0.000 . 234 220 20 LYS CB C 33.059 0.000 . 235 220 20 LYS CG C 24.789 0.000 . 236 220 20 LYS CD C 29.172 0.000 . 237 220 20 LYS CE C 42.266 0.000 . 238 220 20 LYS N N 119.775 0.000 . 239 221 21 GLU H H 8.796 0.000 . 240 221 21 GLU HA H 4.448 0.000 . 241 221 21 GLU HB2 H 2.205 0.000 . 242 221 21 GLU HB3 H 2.107 0.000 . 243 221 21 GLU HG2 H 2.476 0.000 . 244 221 21 GLU HG3 H 2.476 0.000 . 245 221 21 GLU CA C 55.532 0.000 . 246 221 21 GLU CB C 27.783 0.000 . 247 221 21 GLU CG C 35.905 0.000 . 248 221 21 GLU N N 122.710 0.000 . 249 222 22 PRO HA H 4.373 0.000 . 250 222 22 PRO HB2 H 1.674 0.000 . 251 222 22 PRO HB3 H 1.639 0.000 . 252 222 22 PRO HG2 H 2.394 0.000 . 253 222 22 PRO HG3 H 2.394 0.000 . 254 222 22 PRO HD2 H 3.806 0.000 . 255 222 22 PRO HD3 H 3.740 0.000 . 256 222 22 PRO C C 175.005 0.000 . 257 222 22 PRO CA C 62.769 0.000 . 258 222 22 PRO CB C 32.457 0.000 . 259 222 22 PRO CG C 28.739 0.000 . 260 222 22 PRO CD C 50.332 0.000 . 261 223 23 GLU H H 7.976 0.000 . 262 223 23 GLU HA H 4.761 0.000 . 263 223 23 GLU HB2 H 2.018 0.000 . 264 223 23 GLU HB3 H 1.949 0.000 . 265 223 23 GLU HG2 H 2.337 0.000 . 266 223 23 GLU HG3 H 2.084 0.000 . 267 223 23 GLU C C 175.631 0.000 . 268 223 23 GLU CA C 54.751 0.000 . 269 223 23 GLU CB C 32.647 0.000 . 270 223 23 GLU CG C 36.188 0.000 . 271 223 23 GLU N N 121.940 0.000 . 272 224 24 TYR H H 9.280 0.000 . 273 224 24 TYR HA H 5.561 0.000 . 274 224 24 TYR HB2 H 2.894 0.000 . 275 224 24 TYR HB3 H 2.894 0.000 . 276 224 24 TYR HD1 H 6.937 0.000 . 277 224 24 TYR HD2 H 6.937 0.000 . 278 224 24 TYR HE1 H 6.614 0.000 . 279 224 24 TYR HE2 H 6.614 0.000 . 280 224 24 TYR C C 176.259 0.000 . 281 224 24 TYR CA C 57.617 0.000 . 282 224 24 TYR CB C 40.246 0.000 . 283 224 24 TYR CD1 C 133.499 0.000 . 284 224 24 TYR CE1 C 117.915 0.000 . 285 224 24 TYR N N 127.784 0.000 . 286 225 25 THR H H 9.191 0.000 . 287 225 25 THR HA H 4.550 0.000 . 288 225 25 THR HB H 3.861 0.000 . 289 225 25 THR HG2 H 1.173 0.000 . 290 225 25 THR C C 172.348 0.000 . 291 225 25 THR CA C 61.385 0.000 . 292 225 25 THR CB C 72.269 0.000 . 293 225 25 THR CG2 C 21.479 0.000 . 294 225 25 THR N N 117.769 0.000 . 295 226 26 LEU H H 8.867 0.000 . 296 226 26 LEU HA H 4.887 0.000 . 297 226 26 LEU HB2 H 1.998 0.000 . 298 226 26 LEU HB3 H 1.486 0.000 . 299 226 26 LEU HG H 1.627 0.000 . 300 226 26 LEU HD1 H 1.066 0.000 . 301 226 26 LEU HD2 H 1.138 0.000 . 302 226 26 LEU C C 176.095 0.000 . 303 226 26 LEU CA C 55.546 0.000 . 304 226 26 LEU CB C 41.878 0.000 . 305 226 26 LEU CG C 27.348 0.000 . 306 226 26 LEU CD1 C 26.330 0.000 . 307 226 26 LEU CD2 C 24.552 0.000 . 308 226 26 LEU N N 129.025 0.000 . 309 227 27 LEU H H 9.083 0.000 . 310 227 27 LEU HA H 4.486 0.000 . 311 227 27 LEU HB2 H 1.626 0.000 . 312 227 27 LEU HB3 H 1.562 0.000 . 313 227 27 LEU HG H 1.606 0.000 . 314 227 27 LEU HD1 H 0.876 0.000 . 315 227 27 LEU HD2 H 0.762 0.000 . 316 227 27 LEU C C 177.492 0.000 . 317 227 27 LEU CA C 55.988 0.000 . 318 227 27 LEU CB C 42.621 0.000 . 319 227 27 LEU CG C 26.579 0.000 . 320 227 27 LEU CD1 C 25.378 0.000 . 321 227 27 LEU CD2 C 22.538 0.000 . 322 227 27 LEU N N 129.383 0.000 . 323 228 28 THR H H 7.627 0.000 . 324 228 28 THR HA H 4.503 0.000 . 325 228 28 THR HB H 4.125 0.000 . 326 228 28 THR HG2 H 1.088 0.000 . 327 228 28 THR C C 171.725 0.000 . 328 228 28 THR CA C 61.617 0.000 . 329 228 28 THR CB C 69.907 0.000 . 330 228 28 THR CG2 C 20.452 0.000 . 331 228 28 THR N N 111.165 0.000 . 332 229 29 GLU H H 8.202 0.000 . 333 229 29 GLU HA H 4.753 0.000 . 334 229 29 GLU HB2 H 1.915 0.000 . 335 229 29 GLU HB3 H 1.842 0.000 . 336 229 29 GLU HG2 H 1.936 0.000 . 337 229 29 GLU HG3 H 1.936 0.000 . 338 229 29 GLU C C 175.269 0.000 . 339 229 29 GLU CA C 55.528 0.000 . 340 229 29 GLU CB C 31.817 0.000 . 341 229 29 GLU CG C 36.104 0.000 . 342 229 29 GLU N N 123.592 0.000 . 343 230 30 ARG H H 8.825 0.000 . 344 230 30 ARG HA H 4.717 0.000 . 345 230 30 ARG HB2 H 1.826 0.000 . 346 230 30 ARG HB3 H 1.826 0.000 . 347 230 30 ARG HG2 H 1.508 0.000 . 348 230 30 ARG HG3 H 1.508 0.000 . 349 230 30 ARG HD2 H 3.103 0.000 . 350 230 30 ARG HD3 H 3.103 0.000 . 351 230 30 ARG HE H 7.307 0.000 . 352 230 30 ARG C C 175.278 0.000 . 353 230 30 ARG CA C 54.851 0.000 . 354 230 30 ARG CB C 31.988 0.000 . 355 230 30 ARG CG C 26.711 0.000 . 356 230 30 ARG CD C 43.561 0.000 . 357 230 30 ARG N N 122.560 0.000 . 358 230 30 ARG NE N 85.378 0.000 . 359 231 31 GLY H H 8.461 0.000 . 360 231 31 GLY HA2 H 4.266 0.000 . 361 231 31 GLY HA3 H 3.931 0.000 . 362 231 31 GLY C C 173.687 0.000 . 363 231 31 GLY CA C 44.839 0.000 . 364 231 31 GLY N N 109.046 0.000 . 365 232 32 LEU H H 7.923 0.000 . 366 232 32 LEU HA H 4.629 0.000 . 367 232 32 LEU HB2 H 1.669 0.000 . 368 232 32 LEU HB3 H 1.495 0.000 . 369 232 32 LEU HG H 1.681 0.000 . 370 232 32 LEU HD1 H 0.919 0.000 . 371 232 32 LEU HD2 H 0.930 0.000 . 372 232 32 LEU CA C 53.282 0.000 . 373 232 32 LEU CB C 41.755 0.000 . 374 232 32 LEU CG C 27.264 0.000 . 375 232 32 LEU CD1 C 25.291 0.000 . 376 232 32 LEU CD2 C 22.941 0.000 . 377 232 32 LEU N N 122.816 0.000 . 378 233 33 PRO HA H 4.187 0.000 . 379 233 33 PRO HB2 H 2.355 0.000 . 380 233 33 PRO HB3 H 1.855 0.000 . 381 233 33 PRO HG2 H 2.129 0.000 . 382 233 33 PRO HG3 H 2.010 0.000 . 383 233 33 PRO HD2 H 3.817 0.000 . 384 233 33 PRO HD3 H 3.670 0.000 . 385 233 33 PRO C C 177.501 0.000 . 386 233 33 PRO CA C 65.424 0.000 . 387 233 33 PRO CB C 31.849 0.000 . 388 233 33 PRO CG C 27.834 0.000 . 389 233 33 PRO CD C 50.169 0.000 . 390 234 34 ARG H H 8.110 0.000 . 391 234 34 ARG HA H 4.367 0.000 . 392 234 34 ARG HB2 H 1.979 0.000 . 393 234 34 ARG HB3 H 1.820 0.000 . 394 234 34 ARG HG2 H 1.549 0.000 . 395 234 34 ARG HG3 H 1.549 0.000 . 396 234 34 ARG HD2 H 3.132 0.000 . 397 234 34 ARG HD3 H 3.132 0.000 . 398 234 34 ARG C C 175.723 0.000 . 399 234 34 ARG CA C 56.442 0.000 . 400 234 34 ARG CB C 29.608 0.000 . 401 234 34 ARG CG C 27.453 0.000 . 402 234 34 ARG CD C 43.302 0.000 . 403 234 34 ARG N N 114.106 0.000 . 404 235 35 ARG H H 7.977 0.000 . 405 235 35 ARG HA H 4.589 0.000 . 406 235 35 ARG HB2 H 1.885 0.000 . 407 235 35 ARG HB3 H 1.659 0.000 . 408 235 35 ARG HG2 H 1.619 0.000 . 409 235 35 ARG HG3 H 1.619 0.000 . 410 235 35 ARG HD2 H 3.221 0.000 . 411 235 35 ARG HD3 H 3.221 0.000 . 412 235 35 ARG C C 174.519 0.000 . 413 235 35 ARG CA C 55.521 0.000 . 414 235 35 ARG CB C 30.804 0.000 . 415 235 35 ARG CG C 27.117 0.000 . 416 235 35 ARG CD C 43.481 0.000 . 417 235 35 ARG N N 121.158 0.000 . 418 236 36 ARG H H 8.391 0.000 . 419 236 36 ARG HA H 4.385 0.000 . 420 236 36 ARG HB2 H 1.795 0.000 . 421 236 36 ARG HB3 H 1.540 0.000 . 422 236 36 ARG HG2 H 1.595 0.000 . 423 236 36 ARG HG3 H 1.595 0.000 . 424 236 36 ARG HD2 H 3.056 0.000 . 425 236 36 ARG HD3 H 2.994 0.000 . 426 236 36 ARG C C 175.545 0.000 . 427 236 36 ARG CA C 56.007 0.000 . 428 236 36 ARG CB C 31.209 0.000 . 429 236 36 ARG CG C 26.997 0.000 . 430 236 36 ARG CD C 43.289 0.000 . 431 236 36 ARG N N 123.620 0.000 . 432 237 37 GLU H H 8.178 0.000 . 433 237 37 GLU HA H 4.589 0.000 . 434 237 37 GLU HB2 H 1.781 0.000 . 435 237 37 GLU HB3 H 1.712 0.000 . 436 237 37 GLU HG2 H 2.085 0.000 . 437 237 37 GLU HG3 H 1.955 0.000 . 438 237 37 GLU C C 174.134 0.000 . 439 237 37 GLU CA C 55.202 0.000 . 440 237 37 GLU CB C 33.109 0.000 . 441 237 37 GLU CG C 36.953 0.000 . 442 237 37 GLU N N 119.830 0.000 . 443 238 38 PHE H H 8.882 0.000 . 444 238 38 PHE HA H 4.779 0.000 . 445 238 38 PHE HB2 H 2.655 0.000 . 446 238 38 PHE HB3 H 2.565 0.000 . 447 238 38 PHE HD1 H 7.002 0.000 . 448 238 38 PHE HD2 H 7.002 0.000 . 449 238 38 PHE HE1 H 7.443 0.000 . 450 238 38 PHE HE2 H 7.443 0.000 . 451 238 38 PHE HZ H 7.506 0.000 . 452 238 38 PHE C C 174.668 0.000 . 453 238 38 PHE CA C 57.710 0.000 . 454 238 38 PHE CB C 41.429 0.000 . 455 238 38 PHE CD1 C 131.132 0.000 . 456 238 38 PHE CE1 C 131.725 0.000 . 457 238 38 PHE CZ C 130.700 0.000 . 458 238 38 PHE N N 121.881 0.000 . 459 239 39 VAL H H 8.511 0.000 . 460 239 39 VAL HA H 4.946 0.000 . 461 239 39 VAL HB H 2.027 0.000 . 462 239 39 VAL HG1 H 1.210 0.000 . 463 239 39 VAL HG2 H 0.849 0.000 . 464 239 39 VAL C C 175.178 0.000 . 465 239 39 VAL CA C 61.325 0.000 . 466 239 39 VAL CB C 33.150 0.000 . 467 239 39 VAL CG1 C 21.698 0.000 . 468 239 39 VAL CG2 C 19.868 0.000 . 469 239 39 VAL N N 120.682 0.000 . 470 240 40 MET H H 9.386 0.000 . 471 240 40 MET HA H 5.317 0.000 . 472 240 40 MET HB2 H 1.940 0.000 . 473 240 40 MET HB3 H 1.732 0.000 . 474 240 40 MET HG2 H 2.540 0.000 . 475 240 40 MET HG3 H 2.362 0.000 . 476 240 40 MET HE H 1.821 0.000 . 477 240 40 MET C C 173.752 0.000 . 478 240 40 MET CA C 52.733 0.000 . 479 240 40 MET CB C 35.375 0.000 . 480 240 40 MET CG C 32.784 0.000 . 481 240 40 MET CE C 18.421 0.000 . 482 240 40 MET N N 126.332 0.000 . 483 241 41 GLN H H 9.470 0.000 . 484 241 41 GLN HA H 5.495 0.000 . 485 241 41 GLN HB2 H 2.136 0.000 . 486 241 41 GLN HB3 H 1.997 0.000 . 487 241 41 GLN HG2 H 2.335 0.000 . 488 241 41 GLN HG3 H 2.088 0.000 . 489 241 41 GLN HE21 H 6.851 0.000 . 490 241 41 GLN HE22 H 7.859 0.000 . 491 241 41 GLN C C 174.392 0.000 . 492 241 41 GLN CA C 53.813 0.000 . 493 241 41 GLN CB C 33.830 0.000 . 494 241 41 GLN CG C 35.996 0.000 . 495 241 41 GLN N N 123.570 0.000 . 496 241 41 GLN NE2 N 111.306 0.000 . 497 242 42 VAL H H 9.174 0.000 . 498 242 42 VAL HA H 5.155 0.000 . 499 242 42 VAL HB H 1.589 0.000 . 500 242 42 VAL HG1 H 0.014 0.000 . 501 242 42 VAL HG2 H 0.692 0.000 . 502 242 42 VAL C C 171.552 0.000 . 503 242 42 VAL CA C 58.064 0.000 . 504 242 42 VAL CB C 35.304 0.000 . 505 242 42 VAL CG1 C 22.539 0.000 . 506 242 42 VAL CG2 C 20.918 0.000 . 507 242 42 VAL N N 124.115 0.000 . 508 243 43 LYS H H 8.430 0.000 . 509 243 43 LYS HA H 5.233 0.000 . 510 243 43 LYS HB2 H 1.787 0.000 . 511 243 43 LYS HB3 H 1.519 0.000 . 512 243 43 LYS HG2 H 1.318 0.000 . 513 243 43 LYS HG3 H 1.318 0.000 . 514 243 43 LYS HD2 H 1.597 0.000 . 515 243 43 LYS HD3 H 1.597 0.000 . 516 243 43 LYS HE2 H 2.907 0.000 . 517 243 43 LYS HE3 H 2.907 0.000 . 518 243 43 LYS C C 176.444 0.000 . 519 243 43 LYS CA C 54.752 0.000 . 520 243 43 LYS CB C 36.440 0.000 . 521 243 43 LYS CG C 24.696 0.000 . 522 243 43 LYS CD C 29.519 0.000 . 523 243 43 LYS CE C 41.976 0.000 . 524 243 43 LYS N N 127.594 0.000 . 525 244 44 VAL H H 8.297 0.000 . 526 244 44 VAL HA H 4.212 0.000 . 527 244 44 VAL HB H 2.150 0.000 . 528 244 44 VAL HG1 H 0.849 0.000 . 529 244 44 VAL HG2 H 0.914 0.000 . 530 244 44 VAL C C 175.336 0.000 . 531 244 44 VAL CA C 61.476 0.000 . 532 244 44 VAL CB C 35.082 0.000 . 533 244 44 VAL CG1 C 22.719 0.000 . 534 244 44 VAL CG2 C 21.284 0.000 . 535 244 44 VAL N N 126.218 0.000 . 536 245 45 GLY H H 8.805 0.000 . 537 245 45 GLY HA2 H 3.982 0.000 . 538 245 45 GLY HA3 H 3.689 0.000 . 539 245 45 GLY CA C 47.162 0.000 . 540 245 45 GLY N N 116.716 0.000 . 541 246 46 ASN HA H 4.707 0.000 . 542 246 46 ASN HB2 H 2.762 0.000 . 543 246 46 ASN HB3 H 2.493 0.000 . 544 246 46 ASN HD21 H 6.770 0.000 . 545 246 46 ASN HD22 H 7.412 0.000 . 546 246 46 ASN C C 174.772 0.000 . 547 246 46 ASN CA C 52.891 0.000 . 548 246 46 ASN CB C 38.218 0.000 . 549 246 46 ASN ND2 N 112.249 0.000 . 550 247 47 HIS H H 8.457 0.000 . 551 247 47 HIS HA H 4.901 0.000 . 552 247 47 HIS HB2 H 3.293 0.000 . 553 247 47 HIS HB3 H 2.886 0.000 . 554 247 47 HIS HD2 H 7.137 0.000 . 555 247 47 HIS HE1 H 8.073 0.000 . 556 247 47 HIS C C 174.564 0.000 . 557 247 47 HIS CA C 55.883 0.000 . 558 247 47 HIS CB C 32.315 0.000 . 559 247 47 HIS CD2 C 121.646 0.000 . 560 247 47 HIS CE1 C 138.120 0.000 . 561 247 47 HIS N N 119.227 0.000 . 562 248 48 THR H H 8.419 0.000 . 563 248 48 THR HA H 5.322 0.000 . 564 248 48 THR HB H 3.934 0.000 . 565 248 48 THR HG2 H 1.071 0.000 . 566 248 48 THR C C 172.636 0.000 . 567 248 48 THR CA C 60.560 0.000 . 568 248 48 THR CB C 72.012 0.000 . 569 248 48 THR CG2 C 21.844 0.000 . 570 248 48 THR N N 114.247 0.000 . 571 249 49 ALA H H 8.753 0.000 . 572 249 49 ALA HA H 4.760 0.000 . 573 249 49 ALA HB H 1.403 0.000 . 574 249 49 ALA C C 175.025 0.000 . 575 249 49 ALA CA C 50.881 0.000 . 576 249 49 ALA CB C 22.933 0.000 . 577 249 49 ALA N N 122.911 0.000 . 578 250 50 GLU H H 8.499 0.000 . 579 250 50 GLU HA H 5.689 0.000 . 580 250 50 GLU HB2 H 1.938 0.000 . 581 250 50 GLU HB3 H 1.883 0.000 . 582 250 50 GLU HG2 H 2.187 0.000 . 583 250 50 GLU HG3 H 2.131 0.000 . 584 250 50 GLU C C 175.861 0.000 . 585 250 50 GLU CA C 54.579 0.000 . 586 250 50 GLU CB C 33.796 0.000 . 587 250 50 GLU CG C 36.764 0.000 . 588 250 50 GLU N N 118.076 0.000 . 589 251 51 GLY H H 9.149 0.000 . 590 251 51 GLY HA2 H 4.640 0.000 . 591 251 51 GLY HA3 H 3.880 0.000 . 592 251 51 GLY C C 171.636 0.000 . 593 251 51 GLY CA C 44.383 0.000 . 594 251 51 GLY N N 108.669 0.000 . 595 252 52 THR H H 8.713 0.000 . 596 252 52 THR HA H 6.004 0.000 . 597 252 52 THR HB H 4.129 0.000 . 598 252 52 THR HG2 H 1.211 0.000 . 599 252 52 THR C C 174.477 0.000 . 600 252 52 THR CA C 59.707 0.000 . 601 252 52 THR CB C 71.848 0.000 . 602 252 52 THR CG2 C 21.694 0.000 . 603 252 52 THR N N 113.770 0.000 . 604 253 53 GLY H H 8.413 0.000 . 605 253 53 GLY HA2 H 4.633 0.000 . 606 253 53 GLY HA3 H 4.091 0.000 . 607 253 53 GLY C C 172.661 0.000 . 608 253 53 GLY CA C 45.548 0.000 . 609 253 53 GLY N N 106.901 0.000 . 610 254 54 THR H H 8.452 0.000 . 611 254 54 THR HA H 4.786 0.000 . 612 254 54 THR HB H 4.173 0.000 . 613 254 54 THR HG2 H 1.393 0.000 . 614 254 54 THR C C 173.241 0.000 . 615 254 54 THR CA C 62.878 0.000 . 616 254 54 THR CB C 69.698 0.000 . 617 254 54 THR CG2 C 22.080 0.000 . 618 254 54 THR N N 110.048 0.000 . 619 255 55 ASN H H 7.524 0.000 . 620 255 55 ASN HA H 4.759 0.000 . 621 255 55 ASN HB2 H 3.161 0.000 . 622 255 55 ASN HB3 H 2.933 0.000 . 623 255 55 ASN HD21 H 6.682 0.000 . 624 255 55 ASN HD22 H 7.677 0.000 . 625 255 55 ASN C C 174.679 0.000 . 626 255 55 ASN CA C 51.969 0.000 . 627 255 55 ASN CB C 41.426 0.000 . 628 255 55 ASN N N 112.555 0.000 . 629 255 55 ASN ND2 N 115.161 0.000 . 630 256 56 LYS H H 8.942 0.000 . 631 256 56 LYS HA H 3.296 0.000 . 632 256 56 LYS HB2 H 1.493 0.000 . 633 256 56 LYS HB3 H 1.451 0.000 . 634 256 56 LYS HG2 H 0.761 0.000 . 635 256 56 LYS HG3 H 0.594 0.000 . 636 256 56 LYS HD2 H 1.549 0.000 . 637 256 56 LYS HD3 H 1.506 0.000 . 638 256 56 LYS HE2 H 2.739 0.000 . 639 256 56 LYS HE3 H 2.619 0.000 . 640 256 56 LYS C C 175.707 0.000 . 641 256 56 LYS CA C 61.078 0.000 . 642 256 56 LYS CB C 32.455 0.000 . 643 256 56 LYS CG C 26.370 0.000 . 644 256 56 LYS CD C 29.813 0.000 . 645 256 56 LYS CE C 42.031 0.000 . 646 256 56 LYS N N 120.789 0.000 . 647 257 57 LYS H H 8.065 0.000 . 648 257 57 LYS HA H 3.841 0.000 . 649 257 57 LYS HB2 H 1.822 0.000 . 650 257 57 LYS HB3 H 1.772 0.000 . 651 257 57 LYS HG2 H 1.475 0.000 . 652 257 57 LYS HG3 H 1.312 0.000 . 653 257 57 LYS HD2 H 1.654 0.000 . 654 257 57 LYS HD3 H 1.654 0.000 . 655 257 57 LYS HE2 H 2.916 0.000 . 656 257 57 LYS HE3 H 2.916 0.000 . 657 257 57 LYS C C 179.530 0.000 . 658 257 57 LYS CA C 60.178 0.000 . 659 257 57 LYS CB C 31.769 0.000 . 660 257 57 LYS CG C 25.530 0.000 . 661 257 57 LYS CD C 29.199 0.000 . 662 257 57 LYS CE C 41.888 0.000 . 663 257 57 LYS N N 119.889 0.000 . 664 258 58 VAL H H 8.452 0.000 . 665 258 58 VAL HA H 3.672 0.000 . 666 258 58 VAL HB H 1.938 0.000 . 667 258 58 VAL HG1 H 1.170 0.000 . 668 258 58 VAL HG2 H 1.188 0.000 . 669 258 58 VAL C C 177.582 0.000 . 670 258 58 VAL CA C 65.998 0.000 . 671 258 58 VAL CB C 32.070 0.000 . 672 258 58 VAL CG1 C 23.170 0.000 . 673 258 58 VAL CG2 C 21.694 0.000 . 674 258 58 VAL N N 120.483 0.000 . 675 259 59 ALA H H 7.602 0.000 . 676 259 59 ALA HA H 3.775 0.000 . 677 259 59 ALA HB H 1.373 0.000 . 678 259 59 ALA C C 178.656 0.000 . 679 259 59 ALA CA C 55.844 0.000 . 680 259 59 ALA CB C 18.365 0.000 . 681 259 59 ALA N N 122.105 0.000 . 682 260 60 LYS H H 8.137 0.000 . 683 260 60 LYS HA H 3.650 0.000 . 684 260 60 LYS HB2 H 1.799 0.000 . 685 260 60 LYS HB3 H 1.799 0.000 . 686 260 60 LYS HG2 H 0.945 0.000 . 687 260 60 LYS HG3 H 0.801 0.000 . 688 260 60 LYS HD2 H 1.539 0.000 . 689 260 60 LYS HD3 H 1.539 0.000 . 690 260 60 LYS HE2 H 1.873 0.000 . 691 260 60 LYS HE3 H 1.511 0.000 . 692 260 60 LYS C C 177.582 0.000 . 693 260 60 LYS CA C 60.641 0.000 . 694 260 60 LYS CB C 33.233 0.000 . 695 260 60 LYS CG C 26.767 0.000 . 696 260 60 LYS CD C 29.504 0.000 . 697 260 60 LYS CE C 40.810 0.000 . 698 260 60 LYS N N 117.926 0.000 . 699 261 61 ARG H H 8.115 0.000 . 700 261 61 ARG HA H 3.867 0.000 . 701 261 61 ARG HB2 H 2.039 0.000 . 702 261 61 ARG HB3 H 2.039 0.000 . 703 261 61 ARG HG2 H 1.882 0.000 . 704 261 61 ARG HG3 H 1.692 0.000 . 705 261 61 ARG HD2 H 3.315 0.000 . 706 261 61 ARG HD3 H 3.254 0.000 . 707 261 61 ARG HE H 7.442 0.000 . 708 261 61 ARG C C 177.953 0.000 . 709 261 61 ARG CA C 60.101 0.000 . 710 261 61 ARG CB C 30.326 0.000 . 711 261 61 ARG CG C 27.969 0.000 . 712 261 61 ARG CD C 44.031 0.000 . 713 261 61 ARG N N 119.103 0.000 . 714 261 61 ARG NE N 84.480 0.000 . 715 262 62 ASN H H 8.655 0.000 . 716 262 62 ASN HA H 4.634 0.000 . 717 262 62 ASN HB2 H 2.981 0.000 . 718 262 62 ASN HB3 H 2.981 0.000 . 719 262 62 ASN HD21 H 7.066 0.000 . 720 262 62 ASN HD22 H 7.750 0.000 . 721 262 62 ASN C C 177.478 0.000 . 722 262 62 ASN CA C 55.687 0.000 . 723 262 62 ASN CB C 37.970 0.000 . 724 262 62 ASN N N 117.394 0.000 . 725 262 62 ASN ND2 N 111.215 0.000 . 726 263 63 ALA H H 8.398 0.000 . 727 263 63 ALA HA H 3.881 0.000 . 728 263 63 ALA HB H 1.488 0.000 . 729 263 63 ALA C C 178.581 0.000 . 730 263 63 ALA CA C 55.728 0.000 . 731 263 63 ALA CB C 16.926 0.000 . 732 263 63 ALA N N 124.454 0.000 . 733 264 64 ALA H H 8.255 0.000 . 734 264 64 ALA HA H 3.944 0.000 . 735 264 64 ALA HB H 1.641 0.000 . 736 264 64 ALA C C 179.357 0.000 . 737 264 64 ALA CA C 55.767 0.000 . 738 264 64 ALA CB C 17.934 0.000 . 739 264 64 ALA N N 119.502 0.000 . 740 265 65 GLU H H 8.721 0.000 . 741 265 65 GLU HA H 3.979 0.000 . 742 265 65 GLU HB2 H 2.279 0.000 . 743 265 65 GLU HB3 H 2.219 0.000 . 744 265 65 GLU HG2 H 2.419 0.000 . 745 265 65 GLU HG3 H 2.419 0.000 . 746 265 65 GLU C C 178.915 0.000 . 747 265 65 GLU CA C 60.109 0.000 . 748 265 65 GLU CB C 29.821 0.000 . 749 265 65 GLU CG C 36.496 0.000 . 750 265 65 GLU N N 118.228 0.000 . 751 266 66 ASN H H 8.228 0.000 . 752 266 66 ASN HA H 4.653 0.000 . 753 266 66 ASN HB2 H 3.005 0.000 . 754 266 66 ASN HB3 H 2.915 0.000 . 755 266 66 ASN HD21 H 6.854 0.000 . 756 266 66 ASN HD22 H 7.991 0.000 . 757 266 66 ASN C C 178.474 0.000 . 758 266 66 ASN CA C 55.521 0.000 . 759 266 66 ASN CB C 37.470 0.000 . 760 266 66 ASN N N 118.454 0.000 . 761 266 66 ASN ND2 N 111.193 0.000 . 762 267 67 MET H H 8.462 0.000 . 763 267 67 MET HA H 4.573 0.000 . 764 267 67 MET HB2 H 2.329 0.000 . 765 267 67 MET HB3 H 1.871 0.000 . 766 267 67 MET HG2 H 2.396 0.000 . 767 267 67 MET HG3 H 2.290 0.000 . 768 267 67 MET HE H 1.986 0.000 . 769 267 67 MET C C 177.314 0.000 . 770 267 67 MET CA C 56.398 0.000 . 771 267 67 MET CB C 30.105 0.000 . 772 267 67 MET CG C 33.136 0.000 . 773 267 67 MET CE C 17.074 0.000 . 774 267 67 MET N N 121.365 0.000 . 775 268 68 LEU H H 8.679 0.000 . 776 268 68 LEU HA H 3.894 0.000 . 777 268 68 LEU HB2 H 2.225 0.000 . 778 268 68 LEU HB3 H 1.398 0.000 . 779 268 68 LEU HG H 1.902 0.000 . 780 268 68 LEU HD1 H 1.000 0.000 . 781 268 68 LEU HD2 H 0.676 0.000 . 782 268 68 LEU C C 178.737 0.000 . 783 268 68 LEU CA C 58.914 0.000 . 784 268 68 LEU CB C 41.121 0.000 . 785 268 68 LEU CG C 27.024 0.000 . 786 268 68 LEU CD1 C 26.416 0.000 . 787 268 68 LEU CD2 C 24.541 0.000 . 788 268 68 LEU N N 120.514 0.000 . 789 269 69 GLU H H 7.605 0.000 . 790 269 69 GLU HA H 4.135 0.000 . 791 269 69 GLU HB2 H 2.305 0.000 . 792 269 69 GLU HB3 H 2.229 0.000 . 793 269 69 GLU HG2 H 2.425 0.000 . 794 269 69 GLU HG3 H 2.285 0.000 . 795 269 69 GLU C C 180.138 0.000 . 796 269 69 GLU CA C 59.615 0.000 . 797 269 69 GLU CB C 29.353 0.000 . 798 269 69 GLU CG C 36.093 0.000 . 799 269 69 GLU N N 117.587 0.000 . 800 270 70 ILE H H 7.798 0.000 . 801 270 70 ILE HA H 3.707 0.000 . 802 270 70 ILE HB H 2.155 0.000 . 803 270 70 ILE HG12 H 1.241 0.000 . 804 270 70 ILE HG13 H 1.241 0.000 . 805 270 70 ILE HG2 H 0.684 0.000 . 806 270 70 ILE HD1 H 0.996 0.000 . 807 270 70 ILE C C 178.283 0.000 . 808 270 70 ILE CA C 65.123 0.000 . 809 270 70 ILE CB C 37.954 0.000 . 810 270 70 ILE CG1 C 29.379 0.000 . 811 270 70 ILE CG2 C 16.815 0.000 . 812 270 70 ILE CD1 C 14.187 0.000 . 813 270 70 ILE N N 122.597 0.000 . 814 271 71 LEU H H 8.085 0.000 . 815 271 71 LEU HA H 4.002 0.000 . 816 271 71 LEU HB2 H 1.821 0.000 . 817 271 71 LEU HB3 H 1.627 0.000 . 818 271 71 LEU HG H 1.729 0.000 . 819 271 71 LEU HD1 H 0.766 0.000 . 820 271 71 LEU HD2 H 0.563 0.000 . 821 271 71 LEU C C 176.877 0.000 . 822 271 71 LEU CA C 55.216 0.000 . 823 271 71 LEU CB C 42.367 0.000 . 824 271 71 LEU CG C 25.976 0.000 . 825 271 71 LEU CD1 C 26.029 0.000 . 826 271 71 LEU CD2 C 20.996 0.000 . 827 271 71 LEU N N 116.628 0.000 . 828 272 72 GLY H H 7.691 0.000 . 829 272 72 GLY HA2 H 3.987 0.000 . 830 272 72 GLY HA3 H 3.785 0.000 . 831 272 72 GLY C C 174.655 0.000 . 832 272 72 GLY CA C 45.617 0.000 . 833 272 72 GLY N N 105.972 0.000 . 834 273 73 PHE H H 8.231 0.000 . 835 273 73 PHE HA H 4.652 0.000 . 836 273 73 PHE HB2 H 3.255 0.000 . 837 273 73 PHE HB3 H 2.692 0.000 . 838 273 73 PHE HD1 H 7.156 0.000 . 839 273 73 PHE HD2 H 7.156 0.000 . 840 273 73 PHE HE1 H 7.311 0.000 . 841 273 73 PHE HE2 H 7.311 0.000 . 842 273 73 PHE HZ H 7.290 0.000 . 843 273 73 PHE C C 174.207 0.000 . 844 273 73 PHE CA C 57.689 0.000 . 845 273 73 PHE CB C 40.197 0.000 . 846 273 73 PHE CD1 C 131.577 0.000 . 847 273 73 PHE CE1 C 131.424 0.000 . 848 273 73 PHE CZ C 129.755 0.000 . 849 273 73 PHE N N 119.611 0.000 . 850 274 74 LYS H H 7.720 0.000 . 851 274 74 LYS HA H 4.169 0.000 . 852 274 74 LYS HB2 H 1.816 0.000 . 853 274 74 LYS HB3 H 1.654 0.000 . 854 274 74 LYS HG2 H 1.403 0.000 . 855 274 74 LYS HG3 H 1.403 0.000 . 856 274 74 LYS CA C 57.888 0.000 . 857 274 74 LYS CB C 34.081 0.000 . 858 274 74 LYS CG C 24.919 0.000 . 859 274 74 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 1H-1H, 13C 1F-filtered 2F-filtered NOESY' '3D HCCH-COSY aromatic' '2D 1H-13C HSQC aromatic' '2D 1H-13C HSQC ribose' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_6 $sample_5 $sample_3 $sample_4 $sample_7 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_