data_4894 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RNA recognition by a staufen double-stranded RNA-binding domain ; _BMRB_accession_number 4894 _BMRB_flat_file_name bmr4894.str _Entry_type original _Submission_date 2000-11-07 _Accession_date 2000-11-07 _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 Ramos A. . . 2 Grunert S. . . 3 Bycroft M. . . 4 'St Johnston' D. . . 5 Varani G. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 681 "13C chemical shifts" 345 "15N chemical shifts" 93 "31P chemical shifts" 4 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-07 update BMRB 'delete of outlier: 42 PHE HA 122.0' 2000-12-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'RNA recognition by a staufen double-stranded RNA-binding domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 20164467 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramos A. . . 2 Grunert S. . . 3 Adams J. . . 4 Micklem D. R. . 5 Proctor M. R. . 6 Freund S. . . 7 Bycroft M. . . 8 'St Johnston' D. . . 9 Varani G. . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 19 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 997 _Page_last 1009 _Year 2000 _Details . loop_ _Keyword Drosophila 'NMR structure' 'protein dsRBD' protein/RNA 'RNA hairpin' stop_ save_ ################################## # Molecular system description # ################################## save_staufen _Saveframe_category molecular_system _Mol_system_name 'MATERNAL EFFECT PROTEIN (STAUFEN)/RNA COMPLEX' _Abbreviation_common staufen _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label dsRBD3 $dsRBD3 RNA2 $RNA2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_dsRBD3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'STAUFEN DOUBLE-STRANDED RNA BINDING DOMAIN' _Abbreviation_common 'staufen dsRBD3' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; GSMDEGDKKSPISQVHEIGI KRNMTVHFKVLREEGPAHMK NFITACIVGSIVTEGEGNGK KVSKKRAAEKMLVELQKLPP LTPTKEFIVD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 MET 4 ASP 5 GLU 6 GLY 7 ASP 8 LYS 9 LYS 10 SER 11 PRO 12 ILE 13 SER 14 GLN 15 VAL 16 HIS 17 GLU 18 ILE 19 GLY 20 ILE 21 LYS 22 ARG 23 ASN 24 MET 25 THR 26 VAL 27 HIS 28 PHE 29 LYS 30 VAL 31 LEU 32 ARG 33 GLU 34 GLU 35 GLY 36 PRO 37 ALA 38 HIS 39 MET 40 LYS 41 ASN 42 PHE 43 ILE 44 THR 45 ALA 46 CYS 47 ILE 48 VAL 49 GLY 50 SER 51 ILE 52 VAL 53 THR 54 GLU 55 GLY 56 GLU 57 GLY 58 ASN 59 GLY 60 LYS 61 LYS 62 VAL 63 SER 64 LYS 65 LYS 66 ARG 67 ALA 68 ALA 69 GLU 70 LYS 71 MET 72 LEU 73 VAL 74 GLU 75 LEU 76 GLN 77 LYS 78 LEU 79 PRO 80 PRO 81 LEU 82 THR 83 PRO 84 THR 85 LYS 86 GLU 87 PHE 88 ILE 89 VAL 90 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1EKZ "Nmr Structure Of The Complex Between The Third Dsrbd From Drosophila Staufen And A Rna Hairpin" 84.44 76 100.00 100.00 3.59e-46 PDB 1STU "Double Stranded Rna Binding Domain" 75.56 68 100.00 100.00 6.72e-40 stop_ save_ save_RNA2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common 'RNA hairpin' _Abbreviation_common RNA2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 30 _Mol_residue_sequence ; GGACAGCUGUCCCUUCGGGG ACAGCUGUCC ; loop_ _Residue_seq_code _Residue_label 1 G 2 G 3 A 4 C 5 A 6 G 7 C 8 U 9 G 10 U 11 C 12 C 13 C 14 U 15 U 16 C 17 G 18 G 19 G 20 G 21 A 22 C 23 A 24 G 25 C 26 U 27 G 28 U 29 C 30 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 $dsRBD3 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 _Details $dsRBD3 'recombinant technology' 'E. coli' Escherichia coli . . . $RNA2 'enzymatic semisynthesis' 'E. coli' Escherichia coli . . 'T7 synthesis' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $dsRBD3 . mM . $RNA2 . mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_EX-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.2 n/a temperature 300 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 'UUCG RNA tetraloop' C 13 aromatic ppm 105.1 internal direct spherical internal perpendicular_to_Bo 'UUCG RNA tetraloop' H 1 'methylene protons' ppm 2.78 internal direct spherical internal perpendicular_to_Bo 'UUCG RNA tetraloop' N 15 aromatic ppm 144.8 internal direct spherical internal parallel_to_Bo 'UUCG RNA tetraloop' P 31 phosphorous ppm -3.60 internal direct spherical internal parallel_to_Bo 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_chemical_shifts_set1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $EX-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name dsRBD3 _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 . 3 MET HA H 4.57 . . 2 . 3 MET HB2 H 2.18 . . 3 . 3 MET HB3 H 2.07 . . 4 . 3 MET HG2 H 2.66 . . 5 . 3 MET HG3 H 2.58 . . 6 . 3 MET CB C 31.0 . . 7 . 6 GLY H H 8.50 . . 8 . 6 GLY HA2 H 3.97 . 1 9 . 6 GLY HA3 H 3.97 . 1 10 . 6 GLY CA C 44.0 . . 11 . 6 GLY N N 108.9 . . 12 . 12 ILE H H 7.79 . . 13 . 12 ILE HA H 3.56 . . 14 . 12 ILE HB H 2.43 . . 15 . 12 ILE HG12 H 1.67 . 1 16 . 12 ILE HG13 H 1.67 . 1 17 . 12 ILE HG2 H 1.00 . . 18 . 12 ILE HD1 H 0.78 . . 19 . 12 ILE CA C 64.5 . . 20 . 12 ILE CD1 C 12.9 . . 21 . 12 ILE N N 117.7 . . 22 . 13 SER H H 7.05 . . 23 . 13 SER HA H 4.53 . . 24 . 13 SER HB2 H 4.09 . 1 25 . 13 SER HB3 H 4.09 . 1 26 . 13 SER CA C 60.0 . . 27 . 13 SER N N 114.0 . . 28 . 14 GLN H H 8.10 . . 29 . 14 GLN HA H 3.48 . . 30 . 14 GLN HB2 H 2.25 . 1 31 . 14 GLN HB3 H 2.25 . 1 32 . 14 GLN HE21 H 6.98 . . 33 . 14 GLN HE22 H 7.06 . . 34 . 14 GLN CA C 4.10 . . 35 . 14 GLN N N 118.6 . 5 36 . 14 GLN NE2 N 111.1 . . 37 . 15 VAL H H 8.08 . . 38 . 15 VAL HA H 3.48 . . 39 . 15 VAL HB H 2.25 . . 40 . 15 VAL HG1 H 1.16 . . 41 . 15 VAL HG2 H 0.74 . . 42 . 15 VAL CA C 66.3 . . 43 . 15 VAL CB C 29.9 . . 44 . 15 VAL CG1 C 24.5 . . 45 . 15 VAL CG2 C 22.2 . . 46 . 15 VAL N N 118.6 . 5 47 . 16 HIS H H 7.93 . . 48 . 16 HIS HA H 4.32 . . 49 . 16 HIS HB2 H 3.27 . 2 50 . 16 HIS HB3 H 3.14 . 2 51 . 16 HIS HD2 H 7.05 . . 52 . 16 HIS CD2 C 117.4 . . 53 . 17 GLU HA H 4.30 . . 54 . 17 GLU HB2 H 2.30 . . 55 . 17 GLU CA C 58.2 . . 56 . 18 ILE H H 8.26 . . 57 . 18 ILE HA H 3.66 . . 58 . 18 ILE HB H 1.78 . . 59 . 18 ILE HG2 H 0.93 . . 60 . 18 ILE HD1 H 0.83 . . 61 . 18 ILE CA C 64.1 . . 62 . 18 ILE N N 120.2 . . 63 . 19 GLY H H 8.70 . . 64 . 19 GLY HA2 H 3.79 . 2 65 . 19 GLY HA3 H 3.53 . 2 66 . 19 GLY CA C 46.4 . . 67 . 19 GLY N N 106.5 . . 68 . 20 ILE H H 8.26 . . 69 . 20 ILE HA H 3.92 . . 70 . 20 ILE HD1 H 0.92 . . 71 . 20 ILE CA C 63.1 . . 72 . 21 LYS H H 8.03 . . 73 . 21 LYS HA H 4.12 . . 74 . 21 LYS HB2 H 1.78 . 1 75 . 21 LYS HB3 H 1.78 . 1 76 . 21 LYS HG2 H 2.08 . 2 77 . 21 LYS HG3 H 1.93 . 2 78 . 21 LYS CA C 57.8 . . 79 . 21 LYS N N 120.6 . . 80 . 22 ARG H H 8.26 . . 81 . 22 ARG HA H 4.38 . . 82 . 22 ARG HB2 H 1.78 . 1 83 . 22 ARG HB3 H 1.78 . 1 84 . 22 ARG HG2 H 1.57 . 1 85 . 22 ARG HG3 H 1.57 . 1 86 . 22 ARG HD2 H 3.13 . 1 87 . 22 ARG HD3 H 3.13 . 1 88 . 22 ARG HE H 7.34 . . 89 . 22 ARG CG C 24.8 . . 90 . 22 ARG CD C 41.9 . . 91 . 22 ARG N N 114.0 . . 92 . 22 ARG NE N 82.4 . . 93 . 23 ASN H H 8.00 . . 94 . 23 ASN HA H 4.42 . . 95 . 23 ASN HB2 H 3.20 . 2 96 . 23 ASN HB3 H 2.73 . 2 97 . 23 ASN HD21 H 7.54 . 2 98 . 23 ASN HD22 H 6.82 . 2 99 . 23 ASN CA C 52.8 . . 100 . 23 ASN N N 117.8 . . 101 . 23 ASN ND2 N 111.6 . . 102 . 24 MET H H 8.91 . . 103 . 24 MET HA H 4.72 . . 104 . 24 MET HB2 H 1.93 . 2 105 . 24 MET HB3 H 1.49 . 2 106 . 24 MET HG2 H 2.48 . 1 107 . 24 MET HG3 H 2.48 . 1 108 . 24 MET HE H 2.07 . . 109 . 24 MET CA C 52.9 . . 110 . 24 MET CG C 16.0 . . 111 . 24 MET N N 117.3 . . 112 . 25 THR H H 8.42 . . 113 . 25 THR HA H 4.08 . . 114 . 25 THR HB H 4.16 . . 115 . 25 THR HG2 H 1.21 . . 116 . 25 THR CA C 61.4 . . 117 . 25 THR N N 116.4 . . 118 . 26 VAL H H 8.24 . . 119 . 26 VAL HA H 4.73 . . 120 . 26 VAL HB H 1.91 . . 121 . 26 VAL HG2 H 1.21 . . 122 . 26 VAL CA C 60.0 . . 123 . 26 VAL CB C 32.8 . . 124 . 26 VAL N N 123.5 . . 125 . 27 HIS H H 9.05 . . 126 . 27 HIS HA H 5.01 . . 127 . 27 HIS HB2 H 3.16 . 2 128 . 27 HIS HB3 H 2.96 . 2 129 . 27 HIS HD2 H 7.05 . . 130 . 27 HIS CD2 C 119.8 . . 131 . 27 HIS N N 124.2 . . 132 . 28 PHE H H 8.80 . . 133 . 28 PHE HA H 5.68 . . 134 . 28 PHE HB2 H 3.01 . 2 135 . 28 PHE HB3 H 2.72 . 2 136 . 28 PHE HD1 H 7.20 . 1 137 . 28 PHE HD2 H 7.20 . 1 138 . 28 PHE HE1 H 7.08 . 1 139 . 28 PHE HE2 H 7.08 . 1 140 . 28 PHE HZ H 6.98 . . 141 . 28 PHE CA C 55.0 . . 142 . 28 PHE CE1 C 131.0 . 1 143 . 28 PHE CE2 C 131.0 . 1 144 . 28 PHE CZ C 128.7 . . 145 . 28 PHE N N 118.9 . . 146 . 29 LYS H H 8.94 . . 147 . 29 LYS HA H 4.77 . . 148 . 29 LYS HB2 H 1.78 . 2 149 . 29 LYS HB3 H 1.65 . 2 150 . 29 LYS CA C 53.3 . . 151 . 29 LYS N N 119.6 . . 152 . 30 VAL H H 9.18 . . 153 . 30 VAL HA H 4.37 . . 154 . 30 VAL HB H 2.15 . . 155 . 30 VAL HG1 H 1.05 . 1 156 . 30 VAL HG2 H 1.05 . 1 157 . 30 VAL CA C 62.7 . . 158 . 30 VAL CB C 29.5 . . 159 . 30 VAL N N 126.4 . . 160 . 31 LEU H H 9.57 . . 161 . 31 LEU HA H 4.35 . . 162 . 31 LEU HB2 H 1.60 . 1 163 . 31 LEU HB3 H 1.60 . 1 164 . 31 LEU HG H 1.72 . . 165 . 31 LEU HD1 H 0.92 . 2 166 . 31 LEU HD2 H 0.84 . 2 167 . 31 LEU N N 130.0 . . 168 . 32 ARG H H 7.78 . . 169 . 32 ARG HA H 4.60 . . 170 . 32 ARG HB2 H 1.75 . 2 171 . 32 ARG HB3 H 1.52 . 2 172 . 32 ARG HG2 H 1.41 . 1 173 . 32 ARG HG3 H 1.41 . 1 174 . 32 ARG HD2 H 3.19 . 1 175 . 32 ARG HD3 H 3.19 . 1 176 . 32 ARG HE H 7.53 . . 177 . 32 ARG HH11 H 6.82 . 1 178 . 32 ARG HH12 H 6.82 . 1 179 . 32 ARG HH21 H 6.90 . 1 180 . 32 ARG HH22 H 6.90 . 1 181 . 32 ARG CA C 54.0 . . 182 . 32 ARG CG C 25.8 . . 183 . 32 ARG CD C 41.8 . . 184 . 32 ARG N N 113.8 . . 185 . 32 ARG NE N 83.3 . . 186 . 33 GLU H H 8.43 . . 187 . 33 GLU HA H 4.75 . . 188 . 33 GLU HB2 H 1.91 . 2 189 . 33 GLU HB3 H 1.73 . 2 190 . 33 GLU CA C 53.0 . . 191 . 33 GLU N N 122.0 . . 192 . 34 GLU H H 8.82 . . 193 . 34 GLU HA H 4.79 . . 194 . 34 GLU HB2 H 2.17 . 2 195 . 34 GLU HB3 H 1.95 . 2 196 . 34 GLU CA C 53.2 . . 197 . 34 GLU N N 122.3 . . 198 . 35 GLY H H 8.33 . . 199 . 35 GLY HA2 H 4.60 . . 200 . 35 GLY HA3 H 3.80 . . 201 . 35 GLY CA C 41.9 . . 202 . 35 GLY N N 106.8 . . 203 . 36 PRO HA H 4.57 . . 204 . 36 PRO HB2 H 2.32 . 1 205 . 36 PRO HB3 H 2.32 . 1 206 . 36 PRO CA C 60.6 . . 207 . 37 ALA H H 8.73 . . 208 . 37 ALA HA H 3.95 . . 209 . 37 ALA HB H 1.67 . . 210 . 37 ALA CA C 54.2 . . 211 . 37 ALA CB C 16.4 . . 212 . 37 ALA N N 120.1 . . 213 . 38 HIS H H 7.99 . . 214 . 38 HIS HD2 H 7.19 . . 215 . 38 HIS CA C 54.8 . . 216 . 38 HIS CD2 C 111.2 . . 217 . 38 HIS N N 111.3 . . 218 . 39 MET H H 7.69 . . 219 . 39 MET HA H 4.62 . . 220 . 39 MET HB2 H 1.90 . 2 221 . 39 MET HB3 H 1.42 . 2 222 . 39 MET HG2 H 2.31 . 1 223 . 39 MET HG3 H 2.31 . 1 224 . 39 MET HE H 1.67 . . 225 . 39 MET CA C 53.0 . . 226 . 40 LYS H H 8.37 . . 227 . 40 LYS HA H 4.37 . . 228 . 40 LYS HB2 H 1.82 . 2 229 . 40 LYS HB3 H 1.50 . 2 230 . 40 LYS HD2 H 3.00 . 5 231 . 40 LYS CA C 54.1 . . 232 . 40 LYS N N 123.1 . . 233 . 41 ASN H H 8.68 . . 234 . 41 ASN HA H 5.02 . . 235 . 41 ASN HB2 H 2.65 . 2 236 . 41 ASN HB3 H 2.49 . 2 237 . 41 ASN HD21 H 7.54 . 2 238 . 41 ASN HD22 H 7.18 . 2 239 . 41 ASN CA C 50.9 . . 240 . 41 ASN N N 118.2 . . 241 . 41 ASN ND2 N 112.3 . . 242 . 42 PHE H H 9.19 . . 243 . 42 PHE HB2 H 2.85 . 1 244 . 42 PHE HB3 H 2.85 . 1 245 . 42 PHE HD1 H 7.06 . 1 246 . 42 PHE HD2 H 7.06 . 1 247 . 42 PHE HE1 H 7.50 . 1 248 . 42 PHE HE2 H 7.50 . 1 249 . 42 PHE HZ H 7.23 . 3 250 . 42 PHE CA C 55.9 . 3 251 . 42 PHE N N 122.0 . . 252 . 43 ILE H H 8.87 . . 253 . 43 ILE HA H 5.15 . . 254 . 43 ILE HB H 1.86 . . 255 . 43 ILE HG12 H 1.36 . 2 256 . 43 ILE HG13 H 1.28 . 2 257 . 43 ILE HG2 H 0.89 . . 258 . 43 ILE HD1 H 0.78 . . 259 . 43 ILE CA C 58.8 . . 260 . 43 ILE CG2 C 17.9 . . 261 . 43 ILE CD1 C 12.5 . . 262 . 43 ILE N N 125.2 . . 263 . 44 THR H H 9.19 . . 264 . 44 THR HA H 5.02 . . 265 . 44 THR HB H 3.70 . . 266 . 44 THR HG2 H 1.21 . 1 267 . 44 THR CA C 60.2 . . 268 . 44 THR CB C 69.5 . . 269 . 44 THR CG2 C 20.0 . . 270 . 44 THR N N 124.0 . . 271 . 45 ALA H H 9.62 . . 272 . 45 ALA HA H 5.57 . . 273 . 45 ALA HB H 1.36 . . 274 . 45 ALA CA C 48.6 . . 275 . 45 ALA CB C 19.2 . . 276 . 45 ALA N N 126.7 . . 277 . 46 CYS H H 9.12 . . 278 . 46 CYS HA H 4.25 . . 279 . 46 CYS HB2 H 2.67 . 1 280 . 46 CYS HB3 H 2.67 . 1 281 . 46 CYS CA C 56.2 . . 282 . 46 CYS N N 122.5 . . 283 . 47 ILE H H 8.69 . . 284 . 47 ILE HA H 4.93 . . 285 . 47 ILE HB H 1.52 . . 286 . 47 ILE HG12 H 1.36 . 2 287 . 47 ILE HG13 H 1.05 . 2 288 . 47 ILE HG2 H 0.87 . . 289 . 47 ILE HD1 H 0.79 . . 290 . 47 ILE CA C 58.9 . . 291 . 47 ILE CG2 C 18.4 . . 292 . 47 ILE CD1 C 14.5 . . 293 . 47 ILE N N 128.7 . . 294 . 48 VAL H H 8.81 . . 295 . 48 VAL HA H 4.91 . . 296 . 48 VAL HB H 2.17 . . 297 . 48 VAL HG1 H 0.86 . . 298 . 48 VAL HG2 H 0.78 . . 299 . 48 VAL CA C 59.0 . . 300 . 48 VAL CB C 32.3 . . 301 . 48 VAL CG1 C 22.4 . . 302 . 48 VAL CG2 C 21.4 . . 303 . 48 VAL N N 128.5 . . 304 . 49 GLY H H 8.70 . . 305 . 49 GLY HA2 H 4.09 . 2 306 . 49 GLY HA3 H 3.74 . 2 307 . 49 GLY CA C 45.9 . . 308 . 49 GLY N N 113.5 . . 309 . 50 SER H H 8.74 . . 310 . 50 SER HA H 4.45 . . 311 . 50 SER HB2 H 4.04 . 1 312 . 50 SER HB3 H 4.04 . 1 313 . 50 SER N N 122.0 . . 314 . 51 ILE H H 8.65 . . 315 . 51 ILE HA H 4.00 . . 316 . 51 ILE HB H 1.97 . . 317 . 51 ILE HG12 H 1.46 . 1 318 . 51 ILE HG13 H 1.46 . 1 319 . 51 ILE HG2 H 0.97 . . 320 . 51 ILE HD1 H 0.86 . . 321 . 51 ILE CA C 60.5 . . 322 . 51 ILE CG2 C 17.5 . . 323 . 51 ILE CD1 C 13.2 . . 324 . 51 ILE N N 126.6 . . 325 . 52 VAL H H 8.13 . . 326 . 52 VAL HA H 5.36 . . 327 . 52 VAL HB H 1.86 . . 328 . 52 VAL HG1 H 0.89 . 1 329 . 52 VAL HG2 H 0.89 . 1 330 . 52 VAL CA C 60.2 . . 331 . 52 VAL CB C 35.5 . . 332 . 52 VAL N N 124.8 . . 333 . 53 THR H H 9.31 . . 334 . 53 THR HA H 4.85 . . 335 . 53 THR HB H 4.29 . . 336 . 53 THR HG2 H 1.08 . 1 337 . 53 THR CA C 58.4 . . 338 . 53 THR CG2 C 20.5 . . 339 . 53 THR N N 117.8 . . 340 . 54 GLU H H 8.47 . . 341 . 54 GLU HA H 5.59 . . 342 . 54 GLU HB2 H 2.22 . 5 343 . 54 GLU HB3 H 2.22 . 5 344 . 54 GLU CA C 53.1 . . 345 . 54 GLU CB C 34.8 . . 346 . 54 GLU N N 116.9 . . 347 . 55 GLY H H 9.28 . . 348 . 55 GLY HA2 H 4.68 . 2 349 . 55 GLY HA3 H 3.79 . 2 350 . 55 GLY CA C 41.8 . . 351 . 55 GLY N N 108.2 . . 352 . 56 GLU H H 8.31 . . 353 . 56 GLU HA H 5.89 . . 354 . 56 GLU HB2 H 2.25 . 2 355 . 56 GLU HB3 H 2.01 . 2 356 . 56 GLU HG2 H 2.30 . 1 357 . 56 GLU HG3 H 2.30 . 1 358 . 56 GLU CA C 52.5 . . 359 . 56 GLU CB C 31.7 . . 360 . 56 GLU CG C 36.1 . . 361 . 56 GLU N N 118.6 . . 362 . 57 GLY H H 8.31 . . 363 . 57 GLY HA2 H 4.37 . 2 364 . 57 GLY HA3 H 4.09 . 2 365 . 57 GLY CA C 44.4 . . 366 . 57 GLY N N 105.4 . . 367 . 58 ASN H H 8.88 . . 368 . 58 ASN HA H 5.26 . . 369 . 58 ASN HB2 H 3.22 . 2 370 . 58 ASN HB3 H 2.97 . 2 371 . 58 ASN N N 118.9 . . 372 . 59 GLY H H 7.29 . . 373 . 59 GLY HA2 H 4.50 . 2 374 . 59 GLY HA3 H 4.08 . 2 375 . 59 GLY CA C 43.2 . . 376 . 59 GLY N N 103.7 . . 377 . 60 LYS H H 8.18 . 5 378 . 60 LYS HA H 4.36 . 5 379 . 60 LYS HB2 H 1.78 . 5 380 . 60 LYS HB3 H 1.29 . 5 381 . 60 LYS N N 121.9 . 5 382 . 61 LYS H H 8.98 . . 383 . 61 LYS HA H 3.90 . . 384 . 61 LYS HB2 H 1.78 . 2 385 . 61 LYS HB3 H 1.46 . 2 386 . 61 LYS CA C 58.8 . . 387 . 61 LYS N N 120.4 . . 388 . 62 VAL H H 8.18 . . 389 . 62 VAL HA H 3.90 . . 390 . 62 VAL HB H 2.04 . . 391 . 62 VAL HG1 H 1.12 . 1 392 . 62 VAL HG2 H 1.12 . 1 393 . 62 VAL CA C 59.1 . . 394 . 62 VAL CB C 29.7 . . 395 . 62 VAL N N 118.6 . . 396 . 63 SER H H 7.48 . . 397 . 63 SER HA H 3.87 . . 398 . 63 SER HB2 H 4.06 . 1 399 . 63 SER HB3 H 4.06 . 1 400 . 63 SER CA C 59.9 . . 401 . 63 SER N N 114.1 . . 402 . 64 LYS H H 7.89 . . 403 . 64 LYS HA H 3.82 . . 404 . 64 LYS HB2 H 1.94 . 2 405 . 64 LYS HB3 H 1.75 . 2 406 . 64 LYS HE2 H 2.98 . 1 407 . 64 LYS HE3 H 2.98 . 1 408 . 64 LYS CA C 58.9 . . 409 . 64 LYS N N 119.8 . . 410 . 65 LYS H H 8.41 . . 411 . 65 LYS HA H 3.75 . . 412 . 65 LYS HB2 H 2.07 . 2 413 . 65 LYS HB3 H 1.76 . 2 414 . 65 LYS HG2 H 1.44 . 1 415 . 65 LYS HG3 H 1.44 . 1 416 . 65 LYS HE2 H 3.03 . 1 417 . 65 LYS HE3 H 3.03 . 1 418 . 65 LYS CA C 59.2 . . 419 . 65 LYS CB C 30.8 . . 420 . 65 LYS N N 119.2 . . 421 . 66 ARG H H 8.34 . . 422 . 66 ARG HA H 4.30 . . 423 . 66 ARG HB2 H 2.07 . 2 424 . 66 ARG HB3 H 1.98 . 2 425 . 66 ARG HD2 H 3.40 . 1 426 . 66 ARG HD3 H 3.40 . 1 427 . 66 ARG HE H 7.54 . . 428 . 66 ARG HH11 H 6.66 . 1 429 . 66 ARG HH12 H 6.66 . 1 430 . 66 ARG HH21 H 6.66 . 1 431 . 66 ARG HH22 H 6.66 . 1 432 . 66 ARG CA C 57.6 . . 433 . 66 ARG CD C 41.8 . . 434 . 66 ARG N N 117.6 . . 435 . 66 ARG NE N 85.5 . . 436 . 66 ARG NH1 N 71.2 . 1 437 . 66 ARG NH2 N 71.2 . 1 438 . 67 ALA H H 8.28 . . 439 . 67 ALA HA H 3.82 . . 440 . 67 ALA HB H 1.58 . . 441 . 67 ALA CA C 54.1 . . 442 . 67 ALA CB C 16.5 . . 443 . 67 ALA N N 121.0 . . 444 . 68 ALA H H 8.65 . . 445 . 68 ALA HA H 4.22 . . 446 . 68 ALA HB H 1.62 . . 447 . 68 ALA CA C 53.8 . . 448 . 68 ALA CB C 16.6 . . 449 . 68 ALA N N 118.0 . . 450 . 69 GLU H H 8.91 . . 451 . 69 GLU HA H 3.90 . . 452 . 69 GLU HB2 H 2.38 . 2 453 . 69 GLU HB3 H 2.10 . 2 454 . 69 GLU HG2 H 2.67 . 2 455 . 69 GLU HG3 H 2.38 . 2 456 . 69 GLU CA C 58.7 . . 457 . 69 GLU CB C 28.1 . . 458 . 69 GLU CG C 35.6 . . 459 . 69 GLU N N 118.4 . . 460 . 70 LYS H H 7.69 . . 461 . 70 LYS HA H 4.16 . . 462 . 70 LYS HB2 H 2.02 . 1 463 . 70 LYS HB3 H 2.02 . 1 464 . 70 LYS HG2 H 1.15 . 1 465 . 70 LYS HG3 H 1.15 . 1 466 . 70 LYS CA C 58.0 . . 467 . 70 LYS CB C 31.2 . . 468 . 70 LYS N N 116.9 . . 469 . 71 MET H H 8.08 . . 470 . 71 MET HA H 4.63 . . 471 . 71 MET HB2 H 2.25 . 1 472 . 71 MET HB3 H 2.25 . 1 473 . 71 MET HG2 H 2.75 . 1 474 . 71 MET HG3 H 2.75 . 1 475 . 71 MET HE H 1.90 . . 476 . 71 MET CA C 58.0 . . 477 . 71 MET CB C 31.2 . . 478 . 71 MET CE C 15.3 . . 479 . 71 MET N N 121.4 . . 480 . 72 LEU H H 8.50 . . 481 . 72 LEU HA H 3.90 . . 482 . 72 LEU HB2 H 1.90 . 2 483 . 72 LEU HB3 H 1.60 . 2 484 . 72 LEU HG H 1.82 . . 485 . 72 LEU HD1 H 0.96 . . 486 . 72 LEU HD2 H 0.82 . . 487 . 72 LEU CA C 57.1 . . 488 . 72 LEU CB C 39.6 . . 489 . 72 LEU CD2 C 22.0 . . 490 . 72 LEU N N 120.5 . . 491 . 73 VAL H H 6.98 . . 492 . 73 VAL HA H 3.67 . . 493 . 73 VAL HB H 2.33 . . 494 . 73 VAL HG1 H 1.16 . . 495 . 73 VAL HG2 H 0.97 . . 496 . 73 VAL CA C 64.8 . . 497 . 73 VAL CB C 30.2 . . 498 . 73 VAL CG1 C 21.5 . . 499 . 73 VAL CG2 C 20.5 . . 500 . 73 VAL N N 116.7 . . 501 . 74 GLU H H 7.29 . . 502 . 74 GLU HA H 4.12 . . 503 . 74 GLU HB2 H 2.20 . 2 504 . 74 GLU HB3 H 2.33 . 2 505 . 74 GLU CA C 56.0 . . 506 . 74 GLU CB C 27.7 . . 507 . 74 GLU N N 117.2 . . 508 . 75 LEU H H 8.99 . . 509 . 75 LEU HA H 4.10 . . 510 . 75 LEU HB2 H 2.00 . 5 511 . 75 LEU HB3 H 1.52 . 2 512 . 75 LEU HG H 1.86 . . 513 . 75 LEU HD1 H 0.92 . 2 514 . 75 LEU HD2 H 0.84 . 2 515 . 75 LEU CA C 55.5 . . 516 . 75 LEU CB C 39.2 . . 517 . 75 LEU N N 118.4 . . 518 . 76 GLN H H 7.85 . . 519 . 76 GLN HA H 4.21 . . 520 . 76 GLN HB2 H 2.26 . 1 521 . 76 GLN HB3 H 2.26 . 1 522 . 76 GLN HG2 H 2.66 . 2 523 . 76 GLN HG3 H 2.52 . 2 524 . 76 GLN CA C 55.9 . . 525 . 76 GLN CB C 26.7 . . 526 . 76 GLN CG C 32.5 . . 527 . 76 GLN N N 117.9 . . 528 . 77 LYS H H 7.30 . . 529 . 77 LYS HA H 4.24 . . 530 . 77 LYS HB2 H 2.70 . 2 531 . 77 LYS HB3 H 1.89 . 2 532 . 77 LYS HG2 H 1.70 . 1 533 . 77 LYS HG3 H 1.70 . 1 534 . 77 LYS HD2 H 1.44 . 1 535 . 77 LYS HD3 H 1.44 . 1 536 . 77 LYS HE2 H 2.98 . 1 537 . 77 LYS HE3 H 2.98 . 1 538 . 77 LYS CA C 55.4 . . 539 . 77 LYS CB C 31.4 . . 540 . 77 LYS N N 115.7 . . 541 . 78 LEU H H 7.15 . . 542 . 78 LEU HA H 4.47 . . 543 . 78 LEU HB2 H 1.76 . 2 544 . 78 LEU HB3 H 1.44 . 2 545 . 78 LEU HG H 1.89 . . 546 . 78 LEU HD1 H 0.90 . 2 547 . 78 LEU HD2 H 0.86 . 2 548 . 78 LEU CA C 52.1 . . 549 . 78 LEU CB C 38.2 . 5 550 . 78 LEU N N 119.4 . . 551 . 81 LEU H H 8.52 . . 552 . 81 LEU HA H 4.35 . . 553 . 81 LEU HB2 H 1.60 . 1 554 . 81 LEU HB3 H 1.60 . 1 555 . 81 LEU HD1 H 0.90 . 1 556 . 81 LEU HD2 H 0.90 . 1 557 . 81 LEU CA C 54.0 . . 558 . 81 LEU CB C 41.4 . . 559 . 81 LEU N N 122.3 . . 560 . 82 THR H H 8.20 . . 561 . 82 THR HA H 4.63 . . 562 . 82 THR HB H 4.18 . . 563 . 82 THR HG2 H 0.90 . 1 564 . 82 THR CA C 58.0 . . 565 . 82 THR CB C 68.0 . . 566 . 82 THR CG2 C 19.5 . . 567 . 82 THR N N 116.8 . . 568 . 83 PRO HA H 4.56 . . 569 . 83 PRO HB2 H 2.34 . 1 570 . 83 PRO HB3 H 2.34 . 1 571 . 83 PRO HG2 H 2.05 . 2 572 . 83 PRO HG3 H 1.92 . 2 573 . 83 PRO HD2 H 3.88 . 2 574 . 83 PRO HD3 H 3.76 . 2 575 . 83 PRO CA C 61.8 . . 576 . 83 PRO CB C 30.8 . . 577 . 83 PRO CG C 25.9 . . 578 . 83 PRO CD C 50.0 . . 579 . 84 THR H H 8.31 . . 580 . 84 THR HA H 4.50 . . 581 . 84 THR HB H 4.20 . . 582 . 84 THR HG2 H 1.25 . 1 583 . 84 THR CA C 60.3 . . 584 . 84 THR CB C 68.5 . . 585 . 84 THR CG2 C 19.5 . . 586 . 84 THR N N 115.0 . . 587 . 85 LYS H H 8.38 . . 588 . 85 LYS HA H 4.33 . . 589 . 85 LYS HB2 H 1.77 . 1 590 . 85 LYS HB3 H 1.77 . 1 591 . 85 LYS HG2 H 1.44 . 1 592 . 85 LYS HG3 H 1.44 . 1 593 . 85 LYS HE2 H 3.00 . 1 594 . 85 LYS HE3 H 3.00 . 1 595 . 85 LYS CA C 54.8 . . 596 . 85 LYS CB C 31.5 . . 597 . 85 LYS CG C 23.7 . . 598 . 85 LYS N N 124.0 . . 599 . 87 PHE H H 8.29 . . 600 . 87 PHE HA H 4.57 . . 601 . 87 PHE HB2 H 3.12 . . 602 . 87 PHE HB3 H 3.03 . . 603 . 87 PHE HD1 H 7.26 . 1 604 . 87 PHE HD2 H 7.26 . 1 605 . 87 PHE HE1 H 7.18 . 1 606 . 87 PHE HE2 H 7.18 . 1 607 . 87 PHE CA C 56.0 . . 608 . 87 PHE CB C 38.1 . . 609 . 87 PHE N N 121.2 . . 610 . 88 ILE HA H 4.16 . . 611 . 88 ILE HB H 1.78 . . 612 . 88 ILE HG12 H 1.48 . . 613 . 88 ILE HG13 H 1.19 . . 614 . 88 ILE HG2 H 0.86 . . 615 . 88 ILE HD1 H 0.84 . . 616 . 88 ILE CA C 59.2 . . 617 . 88 ILE CB C 37.5 . . 618 . 88 ILE CG1 C 25.7 . . 619 . 88 ILE CG2 C 15.8 . . 620 . 88 ILE CD1 C 11.1 . . 621 . 88 ILE N N 123.4 . . 622 . 89 VAL H H 8.48 . . 623 . 89 VAL HA H 4.16 . . 624 . 89 VAL HB H 2.10 . . 625 . 89 VAL HG1 H 0.98 . . 626 . 89 VAL HG2 H 0.84 . . 627 . 89 VAL CA C 60.8 . . 628 . 89 VAL CB C 31.0 . . 629 . 89 VAL CG1 C 20.0 . . 630 . 89 VAL N N 125.4 . . 631 . 90 ASP H H 8.15 . . 632 . 90 ASP HA H 4.37 . . 633 . 90 ASP HB2 H 1.90 . 1 634 . 90 ASP HB3 H 1.90 . 1 635 . 90 ASP CA C 60.8 . . 636 . 90 ASP CB C 31.0 . . stop_ save_ save_chemical_shifts_set2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $EX-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name RNA2 _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 G H1 H 12.65 . 5 2 . 1 G H8 H 8.26 . 5 3 . 1 G C8 C 138.7 . 5 4 . 1 G H1' H 5.86 . . 5 . 1 G H2' H 4.98 . 5 6 . 1 G H3' H 4.75 . 5 7 . 1 G H4' H 4.58 . . 8 . 1 G H5' H 4.50 . 2 9 . 1 G H5'' H 4.34 . 2 10 . 1 G C1' C 92.1 . . 11 . 1 G C2' C 75.1 . . 12 . 1 G C3' C 74.4 . . 13 . 1 G C4' C 83.4 . . 14 . 1 G C5' C 66.4 . . 15 . 2 G H1 H 12.65 . 5 16 . 2 G H8 H 7.60 . . 17 . 2 G C8 C 136.4 . . 18 . 2 G N1 N 149.9 . 5 19 . 2 G H1' H 5.92 . . 20 . 2 G H2' H 4.71 . 5 21 . 2 G H3' H 4.70 . 5 22 . 2 G H4' H 4.62 . . 23 . 2 G H5' H 4.59 . 5 24 . 2 G H5'' H 4.33 . 5 25 . 2 G C1' C 93.2 . . 26 . 2 G C2' C 75.6 . . 27 . 2 G C3' C 72.9 . . 28 . 2 G C4' C 82.7 . . 29 . 2 G C5' C 66.0 . . 30 . 3 A H2 H 7.75 . . 31 . 3 A H8 H 7.91 . . 32 . 3 A C2 C 153.9 . . 33 . 3 A C8 C 138.7 . . 34 . 3 A H1' H 6.04 . . 35 . 3 A H2' H 4.62 . . 36 . 3 A H3' H 4.67 . . 37 . 3 A H4' H 4.57 . . 38 . 3 A H5' H 4.67 . . 39 . 3 A H5'' H 4.20 . . 40 . 3 A C1' C 92.8 . . 41 . 3 A C2' C 75.4 . . 42 . 3 A C3' C 72.5 . . 43 . 3 A C4' C 82.0 . . 44 . 3 A C5' C 64.7 . . 45 . 3 A P P -3.80 . 5 46 . 4 C H41 H 8.36 . . 47 . 4 C H42 H 6.97 . . 48 . 4 C H5 H 5.28 . . 49 . 4 C H6 H 7.49 . . 50 . 4 C C5 C 97.8 . . 51 . 4 C C6 C 139.7 . . 52 . 4 C N4 N 99.2 . . 53 . 4 C H1' H 5.43 . . 54 . 4 C H2' H 4.47 . . 55 . 4 C H3' H 4.49 . . 56 . 4 C H4' H 4.47 . . 57 . 4 C H5' H 4.57 . . 58 . 4 C H5'' H 4.13 . . 59 . 4 C C1' C 93.9 . . 60 . 4 C C2' C 75.2 . . 61 . 4 C C3' C 72.2 . . 62 . 4 C C4' C 82.0 . . 63 . 4 C C5' C 64.6 . . 64 . 5 A H2 H 7.09 . . 65 . 5 A H61 H 7.86 . . 66 . 5 A H62 H 6.93 . 5 67 . 5 A H8 H 8.04 . . 68 . 5 A C2 C 152.4 . . 69 . 5 A C8 C 138.9 . . 70 . 5 A H1' H 5.97 . . 71 . 5 A H2' H 4.73 . . 72 . 5 A H3' H 4.77 . . 73 . 5 A H4' H 4.56 . . 74 . 5 A H5' H 4.60 . . 75 . 5 A H5'' H 4.21 . . 76 . 5 A C1' C 93.0 . . 77 . 5 A C2' C 75.8 . . 78 . 5 A C3' C 72.5 . . 79 . 5 A C4' C 82.0 . . 80 . 5 A C5' C 65.0 . . 81 . 6 G H1 H 13.48 . . 82 . 6 G H8 H 7.31 . . 83 . 6 G C8 C 135.0 . . 84 . 6 G N1 N 149.9 . . 85 . 6 G H1' H 5.66 . . 86 . 6 G H2' H 4.50 . . 87 . 6 G H3' H 4.47 . . 88 . 6 G H4' H 4.50 . . 89 . 6 G H5' H 4.53 . . 90 . 6 G H5'' H 4.14 . . 91 . 6 G C1' C 93.0 . . 92 . 6 G C2' C 75.3 . . 93 . 6 G C3' C 72.4 . . 94 . 6 G C4' C 82.0 . . 95 . 6 G C5' C 65.1 . . 96 . 7 C H41 H 8.53 . . 97 . 7 C H42 H 6.84 . . 98 . 7 C H5 H 5.12 . . 99 . 7 C H6 H 7.54 . . 100 . 7 C C5 C 97.3 . . 101 . 7 C C6 C 140.4 . . 102 . 7 C H1' H 5.53 . . 103 . 7 C H2' H 4.47 . . 104 . 7 C H3' H 4.49 . . 105 . 7 C H4' H 4.46 . . 106 . 7 C H5' H 4.60 . . 107 . 7 C H5'' H 4.12 . . 108 . 7 C C1' C 94.3 . . 109 . 7 C C2' C 75.1 . . 110 . 7 C C3' C 72.2 . . 111 . 7 C C4' C 81.9 . . 112 . 7 C C5' C 64.5 . . 113 . 8 U H3 H 13.52 . . 114 . 8 U H5 H 5.47 . . 115 . 8 U H6 H 7.90 . . 116 . 8 U C5 C 103.5 . . 117 . 8 U C6 C 141.4 . . 118 . 8 U N1 N 163.6 . . 119 . 8 U H1' H 5.60 . . 120 . 8 U H2' H 4.73 . . 121 . 8 U H3' H 4.63 . . 122 . 8 U H4' H 4.49 . . 123 . 8 U H5' H 4.60 . . 124 . 8 U H5'' H 4.16 . . 125 . 8 U C1' C 93.7 . . 126 . 8 U C2' C 75.4 . . 127 . 8 U C3' C 72.6 . . 128 . 8 U C4' C 81.0 . . 129 . 8 U C5' C 64.6 . . 130 . 9 G H1 H 12.65 . . 131 . 9 G H8 H 7.81 . . 132 . 9 G C8 C 136.0 . . 133 . 9 G N1 N 149.0 . . 134 . 9 G H1' H 5.85 . . 135 . 9 G H2' H 4.49 . . 136 . 9 G H3' H 4.64 . . 137 . 9 G H4' H 4.57 . . 138 . 9 G H5' H 4.61 . . 139 . 9 G H5'' H 4.22 . . 140 . 9 G C1' C 93.2 . . 141 . 9 G C2' C 75.3 . . 142 . 9 G C3' C 72.9 . . 143 . 9 G C4' C 82.0 . . 144 . 9 G C5' C 65.2 . . 145 . 10 U H3 H 14.36 . . 146 . 10 U H5 H 5.47 . . 147 . 10 U H6 H 7.90 . . 148 . 10 U C5 C 102.2 . . 149 . 10 U C6 C 141.4 . . 150 . 10 U N3 N 163.6 . . 151 . 10 U H1' H 5.58 . . 152 . 10 U H2' H 4.50 . . 153 . 10 U H3' H 4.55 . . 154 . 10 U H4' H 4.50 . . 155 . 10 U H5' H 4.63 . . 156 . 10 U H5'' H 4.16 . . 157 . 10 U C1' C 93.9 . . 158 . 10 U C2' C 75.2 . . 159 . 10 U C3' C 72.5 . . 160 . 10 U C4' C 82.3 . . 161 . 10 U C5' C 64.1 . . 162 . 11 C H41 H 8.54 . . 163 . 11 C H42 H 7.01 . . 164 . 11 C H5 H 5.69 . . 165 . 11 C H6 H 7.97 . . 166 . 11 C C5 C 97.1 . . 167 . 11 C C6 C 141.1 . . 168 . 11 C H1' H 5.64 . . 169 . 11 C H2' H 4.41 . . 170 . 11 C H3' H 4.54 . . 171 . 11 C H4' H 4.50 . . 172 . 11 C H5' H 4.58 . . 173 . 11 C H5'' H 4.16 . . 174 . 11 C C1' C 94.2 . . 175 . 11 C C2' C 75.7 . . 176 . 11 C C3' C 72.3 . . 177 . 11 C C4' C 82.1 . . 178 . 11 C C5' C 65.0 . . 179 . 12 C H41 H 8.52 . . 180 . 12 C H42 H 6.91 . . 181 . 12 C H5 H 5.53 . . 182 . 12 C H6 H 7.87 . . 183 . 12 C C5 C 98.0 . . 184 . 12 C C6 C 144.0 . . 185 . 12 C H1' H 5.53 . . 186 . 12 C H2' H 4.44 . . 187 . 12 C H3' H 4.53 . . 188 . 12 C H4' H 4.47 . . 189 . 12 C H5' H 4.60 . 5 190 . 12 C H5'' H 4.12 . 5 191 . 12 C C1' C 94.2 . . 192 . 12 C C2' C 75.2 . . 193 . 12 C C3' C 72.1 . . 194 . 12 C C4' C 82.0 . . 195 . 12 C C5' C 64.3 . . 196 . 12 C P P -4.25 . 5 197 . 13 C H41 H 8.62 . . 198 . 13 C H42 H 6.92 . . 199 . 13 C H5 H 5.55 . . 200 . 13 C H6 H 7.74 . . 201 . 13 C C5 C 98.0 . . 202 . 13 C C6 C 141.5 . . 203 . 13 C H1' H 5.53 . . 204 . 13 C H2' H 4.55 . . 205 . 13 C H3' H 4.39 . . 206 . 13 C H4' H 4.48 . . 207 . 13 C H5' H 4.58 . . 208 . 13 C H5'' H 4.12 . 5 209 . 13 C C1' C 94.3 . . 210 . 13 C C2' C 75.7 . . 211 . 13 C C3' C 71.8 . . 212 . 13 C C4' C 82.0 . . 213 . 13 C C5' C 64.6 . . 214 . 14 U H5 H 7.83 . . 215 . 14 U H6 H 5.81 . . 216 . 14 U C5 C 104.6 . . 217 . 14 U C6 C 140.2 . . 218 . 14 U H1' H 5.62 . . 219 . 14 U H2' H 3.82 . . 220 . 14 U H3' H 4.58 . . 221 . 14 U H4' H 4.45 . . 222 . 14 U H5' H 4.57 . . 223 . 14 U H5'' H 4.17 . . 224 . 14 U C1' C 94.7 . . 225 . 14 U C2' C 75.8 . . 226 . 14 U C3' C 72.8 . . 227 . 14 U C4' C 82.4 . . 228 . 14 U C5' C 64.5 . . 229 . 15 U H5 H 5.92 . . 230 . 15 U H6 H 8.10 . . 231 . 15 U C5 C 105.1 . . 232 . 15 U C6 C 144.3 . . 233 . 15 U H1' H 6.13 . . 234 . 15 U H2' H 4.73 . . 235 . 15 U H3' H 4.05 . . 236 . 15 U H4' H 4.54 . . 237 . 15 U H5' H 4.29 . . 238 . 15 U H5'' H 4.12 . . 239 . 15 U C1' C 89.4 . . 240 . 15 U C2' C 74.5 . . 241 . 15 U C3' C 77.5 . . 242 . 15 U C4' C 87.4 . . 243 . 15 U C5' C 67.8 . . 244 . 16 C H41 H 7.26 . . 245 . 16 C H42 H 6.43 . . 246 . 16 C H5 H 6.21 . . 247 . 16 C H6 H 7.75 . . 248 . 16 C C5 C 98.3 . . 249 . 16 C C6 C 142.5 . . 250 . 16 C H1' H 6.00 . . 251 . 16 C H2' H 4.14 . . 252 . 16 C H3' H 4.53 . . 253 . 16 C H4' H 3.85 . . 254 . 16 C H5' H 3.68 . . 255 . 16 C H5'' H 2.78 . . 256 . 16 C C1' C 89.2 . . 257 . 16 C C2' C 77.6 . . 258 . 16 C C3' C 80.5 . . 259 . 16 C C4' C 84.5 . . 260 . 16 C C5' C 67.2 . . 261 . 17 G H1 H 9.90 . . 262 . 17 G H8 H 7.91 . . 263 . 17 G C8 C 142.5 . . 264 . 17 G N1 N 144.8 . . 265 . 17 G H1' H 6.01 . . 266 . 17 G H2' H 4.92 . . 267 . 17 G H3' H 5.68 . . 268 . 17 G H4' H 4.46 . . 269 . 17 G H5' H 4.45 . . 270 . 17 G H5'' H 4.25 . . 271 . 17 G C1' C 94.7 . . 272 . 17 G C2' C 77.2 . . 273 . 17 G C3' C 75.8 . . 274 . 17 G C4' C 83.2 . . 275 . 17 G C5' C 68.7 . . 276 . 18 G H1 H 12.86 . . 277 . 18 G H21 H 8.58 . . 278 . 18 G H22 H 6.35 . . 279 . 18 G H8 H 8.31 . . 280 . 18 G C8 C 138.2 . . 281 . 18 G N1 N 148.9 . . 282 . 18 G H1' H 4.55 . . 283 . 18 G H2' H 4.59 . . 284 . 18 G H3' H 4.35 . . 285 . 18 G H4' H 4.44 . . 286 . 18 G H5' H 4.57 . . 287 . 18 G H5'' H 4.35 . . 288 . 18 G C1' C 93.2 . . 289 . 18 G C2' C 75.4 . . 290 . 18 G C3' C 74.7 . . 291 . 18 G C4' C 82.7 . . 292 . 18 G C5' C 69.3 . . 293 . 19 G H1 H 12.60 . . 294 . 19 G H8 H 7.29 . . 295 . 19 G C8 C 135.5 . . 296 . 19 G N1 N 149.2 . . 297 . 19 G H1' H 5.87 . . 298 . 19 G H2' H 4.69 . . 299 . 19 G H3' H 4.61 . . 300 . 19 G H4' H 4.51 . . 301 . 19 G H5' H 4.55 . . 302 . 19 G H5'' H 4.10 . . 303 . 19 G C1' C 93.0 . . 304 . 19 G C2' C 75.3 . . 305 . 19 G C3' C 74.4 . . 306 . 19 G C4' C 81.9 . . 307 . 19 G C5' C 64.6 . . 308 . 20 G H1 H 12.47 . . 309 . 20 G H8 H 7.24 . . 310 . 20 G C8 C 135.5 . . 311 . 20 G N1 N 148.9 . . 312 . 20 G H1' H 5.82 . . 313 . 20 G H2' H 4.66 . . 314 . 20 G H3' H 4.55 . . 315 . 20 G H4' H 4.55 . . 316 . 20 G H5' H 4.52 . . 317 . 20 G H5'' H 4.12 . . 318 . 20 G C1' C 93.2 . . 319 . 20 G C2' C 75.4 . . 320 . 20 G C3' C 73.0 . . 321 . 20 G C4' C 82.0 . . 322 . 20 G C5' C 65.2 . . 323 . 20 G P P -3.87 . 5 324 . 21 A H2 H 7.78 . . 325 . 21 A H8 H 7.88 . . 326 . 21 A C2 C 153.9 . . 327 . 21 A C8 C 138.7 . . 328 . 21 A H1' H 6.04 . . 329 . 21 A H2' H 4.62 . . 330 . 21 A H3' H 4.67 . . 331 . 21 A H4' H 4.57 . . 332 . 21 A H5' H 4.67 . . 333 . 21 A H5'' H 4.20 . . 334 . 21 A C1' C 92.8 . . 335 . 21 A C2' C 75.4 . . 336 . 21 A C3' C 72.5 . . 337 . 21 A C4' C 82.0 . . 338 . 21 A C5' C 54.7 . . 339 . 21 A P P -4.26 . 5 340 . 22 C H41 H 8.36 . . 341 . 22 C H42 H 6.97 . . 342 . 22 C H5 H 7.09 . . 343 . 22 C H6 H 8.04 . . 344 . 22 C C5 C 97.8 . . 345 . 22 C C6 C 139.7 . . 346 . 22 C H1' H 5.43 . . 347 . 22 C H2' H 4.47 . . 348 . 22 C H3' H 4.49 . . 349 . 22 C H4' H 4.47 . . 350 . 22 C H5' H 4.57 . . 351 . 22 C H5'' H 4.13 . . 352 . 22 C C1' C 93.9 . . 353 . 22 C C2' C 75.2 . . 354 . 22 C C3' C 72.2 . . 355 . 22 C C4' C 82.0 . . 356 . 22 C C5' C 64.6 . . 357 . 23 A H2 H 8.04 . . 358 . 23 A H61 H 7.86 . . 359 . 23 A H62 H 6.93 . 5 360 . 23 A H8 H 7.09 . . 361 . 23 A C2 C 152.4 . . 362 . 23 A C8 C 138.9 . . 363 . 23 A H1' H 5.97 . . 364 . 23 A H2' H 4.73 . . 365 . 23 A H3' H 4.77 . . 366 . 23 A H4' H 4.56 . . 367 . 23 A H5' H 4.60 . . 368 . 23 A H5'' H 4.21 . . 369 . 23 A C1' C 93.0 . . 370 . 23 A C2' C 75.8 . . 371 . 23 A C3' C 72.5 . . 372 . 23 A C4' C 82.0 . . 373 . 23 A C5' C 65.0 . . 374 . 24 G H1 H 13.48 . . 375 . 24 G H8 H 7.31 . . 376 . 24 G C8 C 135.0 . . 377 . 24 G N1 N 149.9 . . 378 . 24 G H1' H 5.66 . . 379 . 24 G H2' H 4.50 . . 380 . 24 G H3' H 4.47 . . 381 . 24 G H4' H 4.50 . . 382 . 24 G H5' H 4.53 . . 383 . 24 G H5'' H 4.14 . . 384 . 24 G C1' C 93.0 . . 385 . 24 G C2' C 75.3 . . 386 . 24 G C3' C 72.4 . . 387 . 24 G C4' C 82.0 . . 388 . 24 G C5' C 65.1 . . 389 . 25 C H41 H 8.53 . . 390 . 25 C H42 H 6.84 . . 391 . 25 C H5 H 5.21 . . 392 . 25 C H6 H 7.64 . . 393 . 25 C C5 C 97.3 . . 394 . 25 C C6 C 140.4 . . 395 . 25 C H1' H 5.53 . . 396 . 25 C H2' H 4.47 . . 397 . 25 C H3' H 4.49 . . 398 . 25 C H4' H 4.46 . . 399 . 25 C H5' H 4.60 . . 400 . 25 C H5'' H 4.12 . . 401 . 25 C C1' C 94.3 . . 402 . 25 C C2' C 75.1 . . 403 . 25 C C3' C 72.2 . . 404 . 25 C C4' C 81.9 . . 405 . 25 C C5' C 64.5 . . 406 . 26 U H3 H 13.52 . . 407 . 26 U H5 H 5.47 . . 408 . 26 U H6 H 7.90 . . 409 . 26 U C5 C 103.5 . . 410 . 26 U C6 C 141.4 . . 411 . 26 U N3 N 163.6 . . 412 . 26 U H1' H 5.60 . . 413 . 26 U H2' H 4.73 . . 414 . 26 U H3' H 4.63 . . 415 . 26 U H4' H 4.49 . . 416 . 26 U H5' H 4.60 . . 417 . 26 U H5'' H 4.16 . . 418 . 26 U C1' C 93.7 . . 419 . 26 U C2' C 75.4 . . 420 . 26 U C3' C 72.6 . . 421 . 26 U C4' C 81.0 . . 422 . 26 U C5' C 64.6 . . 423 . 27 G H1 H 12.65 . . 424 . 27 G H8 H 7.81 . . 425 . 27 G C8 C 136.0 . . 426 . 27 G N1 N 149.0 . . 427 . 27 G H1' H 5.85 . . 428 . 27 G H2' H 4.49 . . 429 . 27 G H3' H 4.64 . . 430 . 27 G H4' H 4.57 . . 431 . 27 G H5' H 4.61 . . 432 . 27 G H5'' H 4.22 . . 433 . 27 G C1' C 93.2 . . 434 . 27 G C2' C 75.3 . . 435 . 27 G C3' C 72.9 . . 436 . 27 G C4' C 82.0 . . 437 . 27 G C5' C 65.2 . . 438 . 28 U H3 H 14.36 . . 439 . 28 U H5 H 5.17 . . 440 . 28 U H6 H 7.92 . . 441 . 28 U C5 C 102.2 . . 442 . 28 U C6 C 141.4 . . 443 . 28 U N3 N 164.3 . . 444 . 28 U H1' H 5.58 . . 445 . 28 U H2' H 4.50 . . 446 . 28 U H3' H 4.55 . . 447 . 28 U H4' H 4.50 . . 448 . 28 U H5' H 4.63 . . 449 . 28 U H5'' H 4.16 . . 450 . 28 U C1' C 93.9 . . 451 . 28 U C2' C 75.2 . . 452 . 28 U C3' C 72.5 . . 453 . 28 U C4' C 82.3 . . 454 . 28 U C5' C 64.5 . . 455 . 29 C H41 H 8.53 . . 456 . 29 C H42 H 7.01 . . 457 . 29 C H5 H 5.69 . . 458 . 29 C H6 H 7.98 . . 459 . 29 C C5 C 97.1 . . 460 . 29 C C6 C 141.1 . . 461 . 29 C N4 N 99.2 . . 462 . 29 C H1' H 5.64 . . 463 . 29 C H2' H 4.30 . . 464 . 29 C H3' H 4.53 . . 465 . 29 C H4' H 4.51 . . 466 . 29 C H5' H 4.58 . . 467 . 29 C H5'' H 4.16 . . 468 . 29 C C1' C 94.1 . . 469 . 29 C C2' C 75.5 . . 470 . 29 C C3' C 72.4 . . 471 . 29 C C4' C 81.9 . . 472 . 29 C C5' C 64.6 . . 473 . 30 C H5 H 5.54 . . 474 . 30 C H6 H 7.72 . . 475 . 30 C C5 C 98.3 . . 476 . 30 C C6 C 144.4 . . 477 . 30 C H1' H 5.75 . . 478 . 30 C H2' H 4.04 . . 479 . 30 C H3' H 4.23 . . 480 . 30 C H4' H 4.23 . . 481 . 30 C H5' H 4.54 . . 482 . 30 C H5'' H 4.08 . . 483 . 30 C C1' C 92.7 . . 484 . 30 C C2' C 77.6 . . 485 . 30 C C3' C 69.6 . . 486 . 30 C C4' C 83.8 . . 487 . 30 C C5' C 64.6 . . stop_ save_