data_25041 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural Investigation of hnRNP L bound to RNA ; _BMRB_accession_number 25041 _BMRB_flat_file_name bmr25041.str _Entry_type original _Submission_date 2014-06-24 _Accession_date 2014-06-24 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'First RNA Recognition Motif Domain of hnRNP L bound to CACACA RNA' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Blatter Markus . . 2 Allain Frederic . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 613 "13C chemical shifts" 363 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-21 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25039 'Second RNA Recognition Motif Domain of hnRNP L' 25040 'most two C-terminal RNA Recognition Motif Domain of hnRNP L' 25042 'Second RNA Recognition Motif Domain of hnRNP L bound to ACACAC RNA' 25043 'Most two C-terminal RNA Recognition Motif Domain of hnRNP L bound to two equivalents ACACA RNA' stop_ _Original_release_date 2015-12-21 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title ; First RNA Recognition Motif Domain of hnRNP L bound to CACACA RNA ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Blatter Markus . . 2 Allain Frederic . . stop_ _Journal_abbreviation 'To be Published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'First RNA Recognition Motif Domain of hnRNP L bound to CACACA RNA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 "RNA (5'-R(*CP*AP*CP*AP*CP*A)-3')" $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') stop_ _System_molecular_weight . _System_physical_state native _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 11386.674 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 105 _Mol_residue_sequence ; GENYDDPHKTPASPVVHIRG LIDGVVEADLVEALQEFGPI SYVVVMPKKRQALVEFEDVL GACNAVNYAADNQIYIAGHP AFVNYSTSQKISRPGDSDDS RSVNS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 84 GLY 2 85 GLU 3 86 ASN 4 87 TYR 5 88 ASP 6 89 ASP 7 90 PRO 8 91 HIS 9 92 LYS 10 93 THR 11 94 PRO 12 95 ALA 13 96 SER 14 97 PRO 15 98 VAL 16 99 VAL 17 100 HIS 18 101 ILE 19 102 ARG 20 103 GLY 21 104 LEU 22 105 ILE 23 106 ASP 24 107 GLY 25 108 VAL 26 109 VAL 27 110 GLU 28 111 ALA 29 112 ASP 30 113 LEU 31 114 VAL 32 115 GLU 33 116 ALA 34 117 LEU 35 118 GLN 36 119 GLU 37 120 PHE 38 121 GLY 39 122 PRO 40 123 ILE 41 124 SER 42 125 TYR 43 126 VAL 44 127 VAL 45 128 VAL 46 129 MET 47 130 PRO 48 131 LYS 49 132 LYS 50 133 ARG 51 134 GLN 52 135 ALA 53 136 LEU 54 137 VAL 55 138 GLU 56 139 PHE 57 140 GLU 58 141 ASP 59 142 VAL 60 143 LEU 61 144 GLY 62 145 ALA 63 146 CYS 64 147 ASN 65 148 ALA 66 149 VAL 67 150 ASN 68 151 TYR 69 152 ALA 70 153 ALA 71 154 ASP 72 155 ASN 73 156 GLN 74 157 ILE 75 158 TYR 76 159 ILE 77 160 ALA 78 161 GLY 79 162 HIS 80 163 PRO 81 164 ALA 82 165 PHE 83 166 VAL 84 167 ASN 85 168 TYR 86 169 SER 87 170 THR 88 171 SER 89 172 GLN 90 173 LYS 91 174 ILE 92 175 SER 93 176 ARG 94 177 PRO 95 178 GLY 96 179 ASP 97 180 SER 98 181 ASP 99 182 ASP 100 183 SER 101 184 ARG 102 185 SER 103 186 VAL 104 187 ASN 105 188 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') _Molecular_mass 1858.218 _Mol_thiol_state 'not present' _Details . _Residue_count 6 _Mol_residue_sequence ; CACACA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 C 2 2 A 3 3 C 4 4 A 5 5 C 6 6 A 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 $entity_1 'Norway rat' 10116 Eukaryota Metazoa . . $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') . . . . . . 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' . . . . pTYB11 $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') 'chemical 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 $entity_1 2 mM '[U-100% 15N]' $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') 2 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2 mM '[U-100% 13C; U-100% 15N]' $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') 2 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2 mM '[U-100% 15N]' $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') 2 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 2 mM '[U-100% 13C; U-100% 15N]' $RNA_(5'-R(*CP*AP*CP*AP*CP*A)-3') 2 mM 'natural abundance' 'sodium chloride' 60 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_3D_F3-filtered-F2-edited_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D F3-filtered-F2-edited NOESY' _Sample_label $sample_4 save_ save_2D_F2-filtered_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D F2-filtered NOESY' _Sample_label $sample_4 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' 0.1 . M pH 6.5 . pH pressure 1 . atm temperature 310.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_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 85 2 GLU CA C 56.443 0.400 1 2 85 2 GLU HA H 4.337 0.020 1 3 85 2 GLU CB C 36.147 0.400 1 4 85 2 GLU HB2 H 2.242 0.020 2 5 85 2 GLU HB3 H 2.242 0.020 2 6 85 2 GLU CG C 30.706 0.400 1 7 85 2 GLU HG2 H 1.947 0.020 2 8 85 2 GLU HG3 H 1.947 0.020 2 9 86 3 ASN N N 119.553 0.400 1 10 86 3 ASN H H 8.495 0.020 1 11 86 3 ASN CA C 53.123 0.400 1 12 86 3 ASN HA H 4.695 0.020 1 13 86 3 ASN CB C 39.166 0.400 1 14 86 3 ASN HB2 H 2.807 0.020 2 15 86 3 ASN HB3 H 2.713 0.020 2 16 86 3 ASN ND2 N 113.027 0.400 1 17 86 3 ASN HD21 H 7.566 0.020 2 18 86 3 ASN HD22 H 6.902 0.020 2 19 87 4 TYR N N 121.015 0.400 1 20 87 4 TYR H H 8.163 0.020 1 21 87 4 TYR CA C 57.866 0.400 1 22 87 4 TYR HA H 4.579 0.020 1 23 87 4 TYR CB C 38.711 0.400 1 24 87 4 TYR HB2 H 3.109 0.020 2 25 87 4 TYR HB3 H 2.934 0.020 2 26 87 4 TYR CD1 C 133.339 0.400 1 27 87 4 TYR HD1 H 7.135 0.020 1 28 87 4 TYR CE1 C 118.166 0.400 1 29 87 4 TYR HE1 H 6.866 0.020 1 30 87 4 TYR HE2 H 6.866 0.020 1 31 87 4 TYR HD2 H 7.135 0.020 1 32 88 5 ASP N N 121.959 0.400 1 33 88 5 ASP H H 8.200 0.020 1 34 88 5 ASP CA C 54.121 0.400 1 35 88 5 ASP HA H 4.580 0.020 1 36 88 5 ASP CB C 41.370 0.400 1 37 88 5 ASP HB2 H 2.628 0.020 2 38 88 5 ASP HB3 H 2.573 0.020 2 39 89 6 ASP N N 121.753 0.400 1 40 89 6 ASP H H 8.023 0.020 1 41 89 6 ASP CA C 51.936 0.400 1 42 89 6 ASP HA H 4.816 0.020 1 43 89 6 ASP CB C 41.965 0.400 1 44 89 6 ASP HB2 H 2.796 0.020 2 45 89 6 ASP HB3 H 2.618 0.020 2 46 90 7 PRO CD C 50.890 0.400 1 47 90 7 PRO CA C 63.806 0.400 1 48 90 7 PRO HA H 4.396 0.020 1 49 90 7 PRO CB C 32.114 0.400 1 50 90 7 PRO HB2 H 2.217 0.020 2 51 90 7 PRO HB3 H 1.700 0.020 2 52 90 7 PRO CG C 26.892 0.400 1 53 90 7 PRO HG2 H 1.972 0.020 2 54 90 7 PRO HG3 H 1.660 0.020 2 55 90 7 PRO HD2 H 3.847 0.020 2 56 90 7 PRO HD3 H 3.817 0.020 2 57 91 8 HIS N N 116.811 0.400 1 58 91 8 HIS H H 8.458 0.020 1 59 91 8 HIS CA C 55.806 0.400 1 60 91 8 HIS HA H 4.578 0.020 1 61 91 8 HIS CB C 28.864 0.400 1 62 91 8 HIS HB2 H 3.157 0.020 2 63 91 8 HIS HB3 H 3.204 0.020 2 64 91 8 HIS CD2 C 119.755 0.400 1 65 91 8 HIS CE1 C 137.089 0.400 1 66 91 8 HIS HD2 H 7.115 0.020 1 67 91 8 HIS HE1 H 7.615 0.020 1 68 92 9 LYS N N 121.897 0.400 1 69 92 9 LYS H H 7.815 0.020 1 70 92 9 LYS CA C 56.337 0.400 1 71 92 9 LYS HA H 4.475 0.020 1 72 92 9 LYS CB C 32.840 0.400 1 73 92 9 LYS HB2 H 1.922 0.020 2 74 92 9 LYS HB3 H 1.805 0.020 2 75 92 9 LYS CG C 24.809 0.400 1 76 92 9 LYS HG2 H 1.477 0.020 2 77 92 9 LYS HG3 H 1.410 0.020 2 78 92 9 LYS CD C 29.115 0.400 1 79 92 9 LYS HD2 H 1.754 0.020 2 80 92 9 LYS HD3 H 1.754 0.020 2 81 92 9 LYS CE C 42.253 0.400 1 82 92 9 LYS HE2 H 3.052 0.020 2 83 92 9 LYS HE3 H 3.052 0.020 2 84 93 10 THR N N 120.350 0.400 1 85 93 10 THR H H 8.226 0.020 1 86 93 10 THR CB C 70.365 0.400 1 87 93 10 THR HB H 4.144 0.020 1 88 93 10 THR CG2 C 22.356 0.400 1 89 93 10 THR HG2 H 1.293 0.020 1 90 94 11 PRO CD C 51.298 0.400 1 91 94 11 PRO CA C 62.408 0.400 1 92 94 11 PRO HA H 4.315 0.020 1 93 94 11 PRO CB C 32.495 0.400 1 94 94 11 PRO HB2 H 2.262 0.020 1 95 94 11 PRO HB3 H 1.816 0.020 1 96 94 11 PRO CG C 27.342 0.400 1 97 94 11 PRO HG2 H 1.968 0.020 2 98 94 11 PRO HG3 H 1.968 0.020 2 99 94 11 PRO HD2 H 3.884 0.020 2 100 94 11 PRO HD3 H 3.698 0.020 2 101 95 12 ALA N N 120.990 0.400 1 102 95 12 ALA H H 7.679 0.020 1 103 95 12 ALA CA C 52.252 0.400 1 104 95 12 ALA HA H 1.892 0.020 1 105 95 12 ALA CB C 18.854 0.400 1 106 95 12 ALA HB H 0.846 0.020 1 107 96 13 SER N N 115.479 0.400 1 108 96 13 SER H H 6.506 0.020 1 109 96 13 SER CA C 53.223 0.400 1 110 96 13 SER HA H 5.000 0.020 1 111 96 13 SER CB C 67.100 0.400 1 112 96 13 SER HB2 H 4.144 0.020 2 113 96 13 SER HB3 H 4.005 0.020 2 114 97 14 PRO CD C 50.671 0.400 1 115 97 14 PRO CA C 64.634 0.400 1 116 97 14 PRO HA H 4.626 0.020 1 117 97 14 PRO CB C 32.074 0.400 1 118 97 14 PRO HB2 H 2.345 0.020 2 119 97 14 PRO HB3 H 2.345 0.020 2 120 97 14 PRO CG C 27.702 0.400 1 121 97 14 PRO HG2 H 2.180 0.020 2 122 97 14 PRO HG3 H 2.068 0.020 2 123 97 14 PRO HD2 H 3.866 0.020 1 124 97 14 PRO HD3 H 3.684 0.020 1 125 98 15 VAL N N 119.401 0.400 1 126 98 15 VAL H H 8.597 0.020 1 127 98 15 VAL CA C 60.668 0.400 1 128 98 15 VAL HA H 5.061 0.020 1 129 98 15 VAL CB C 31.697 0.400 1 130 98 15 VAL HB H 2.194 0.020 1 131 98 15 VAL CG1 C 23.278 0.400 1 132 98 15 VAL HG1 H 0.801 0.020 2 133 98 15 VAL CG2 C 21.824 0.400 1 134 98 15 VAL HG2 H 0.700 0.020 2 135 99 16 VAL N N 120.586 0.400 1 136 99 16 VAL H H 9.495 0.020 1 137 99 16 VAL CA C 59.503 0.400 1 138 99 16 VAL HA H 4.981 0.020 1 139 99 16 VAL CB C 33.850 0.400 1 140 99 16 VAL HB H 2.159 0.020 1 141 99 16 VAL CG1 C 22.402 0.400 1 142 99 16 VAL HG1 H 0.967 0.020 2 143 99 16 VAL CG2 C 21.259 0.400 1 144 99 16 VAL HG2 H 1.130 0.020 2 145 100 17 HIS N N 125.307 0.400 1 146 100 17 HIS H H 9.409 0.020 1 147 100 17 HIS CB C 34.079 0.400 1 148 100 17 HIS HB2 H 2.742 0.020 1 149 100 17 HIS HB3 H 2.925 0.020 1 150 100 17 HIS CD2 C 120.124 0.400 1 151 100 17 HIS CE1 C 136.830 0.400 1 152 100 17 HIS HD2 H 7.263 0.020 1 153 100 17 HIS HE1 H 8.355 0.020 1 154 101 18 ILE N N 128.541 0.400 1 155 101 18 ILE H H 8.897 0.020 1 156 101 18 ILE CA C 59.028 0.400 1 157 101 18 ILE HA H 5.065 0.020 1 158 101 18 ILE CB C 39.551 0.400 1 159 101 18 ILE HB H 1.571 0.020 1 160 101 18 ILE CG2 C 19.335 0.400 1 161 101 18 ILE HG2 H 0.768 0.020 1 162 101 18 ILE CG1 C 28.305 0.400 1 163 101 18 ILE HG12 H 1.134 0.020 1 164 101 18 ILE HG13 H 1.358 0.020 1 165 101 18 ILE CD1 C 14.756 0.400 1 166 101 18 ILE HD1 H 0.728 0.020 1 167 102 19 ARG N N 122.913 0.400 1 168 102 19 ARG H H 8.827 0.020 1 169 102 19 ARG CA C 53.674 0.400 1 170 102 19 ARG HA H 5.126 0.020 1 171 102 19 ARG CB C 33.615 0.400 1 172 102 19 ARG HB2 H 1.964 0.020 2 173 102 19 ARG HB3 H 1.964 0.020 2 174 102 19 ARG CG C 27.735 0.400 1 175 102 19 ARG HG2 H 1.273 0.020 2 176 102 19 ARG HG3 H 1.273 0.020 2 177 102 19 ARG CD C 43.278 0.400 1 178 102 19 ARG HD2 H 2.915 0.020 1 179 102 19 ARG HD3 H 2.996 0.020 1 180 103 20 GLY N N 108.020 0.400 1 181 103 20 GLY H H 9.138 0.020 1 182 103 20 GLY CA C 45.767 0.400 1 183 103 20 GLY HA2 H 4.308 0.020 2 184 103 20 GLY HA3 H 3.920 0.020 2 185 104 21 LEU N N 116.603 0.400 1 186 104 21 LEU H H 7.305 0.020 1 187 104 21 LEU CA C 54.546 0.400 1 188 104 21 LEU HA H 4.209 0.020 1 189 104 21 LEU CB C 42.757 0.400 1 190 104 21 LEU HB2 H 1.275 0.020 1 191 104 21 LEU HB3 H 1.436 0.020 1 192 104 21 LEU CG C 27.750 0.400 1 193 104 21 LEU HG H 1.619 0.020 1 194 104 21 LEU CD1 C 23.772 0.400 1 195 104 21 LEU HD1 H 0.757 0.020 2 196 104 21 LEU CD2 C 25.832 0.400 1 197 104 21 LEU HD2 H 0.540 0.020 2 198 105 22 ILE N N 115.094 0.400 1 199 105 22 ILE H H 7.511 0.020 1 200 105 22 ILE CA C 59.952 0.400 1 201 105 22 ILE HA H 4.273 0.020 1 202 105 22 ILE CB C 39.672 0.400 1 203 105 22 ILE HB H 1.751 0.020 1 204 105 22 ILE CG2 C 17.670 0.400 1 205 105 22 ILE HG2 H 0.612 0.020 1 206 105 22 ILE CG1 C 26.209 0.400 1 207 105 22 ILE HG12 H 1.233 0.020 2 208 105 22 ILE HG13 H 1.031 0.020 2 209 105 22 ILE CD1 C 14.116 0.400 1 210 105 22 ILE HD1 H 0.711 0.020 1 211 106 23 ASP N N 120.129 0.400 1 212 106 23 ASP H H 7.999 0.020 1 213 106 23 ASP CA C 56.407 0.400 1 214 106 23 ASP HA H 4.409 0.020 1 215 106 23 ASP CB C 41.132 0.400 1 216 106 23 ASP HB2 H 2.617 0.020 2 217 106 23 ASP HB3 H 2.505 0.020 2 218 107 24 GLY N N 109.636 0.400 1 219 107 24 GLY H H 8.519 0.020 1 220 107 24 GLY CA C 45.447 0.400 1 221 107 24 GLY HA2 H 4.161 0.020 2 222 107 24 GLY HA3 H 3.698 0.020 2 223 108 25 VAL N N 120.013 0.400 1 224 108 25 VAL H H 7.010 0.020 1 225 108 25 VAL CA C 63.309 0.400 1 226 108 25 VAL HA H 4.059 0.020 1 227 108 25 VAL CB C 32.098 0.400 1 228 108 25 VAL HB H 1.984 0.020 1 229 108 25 VAL CG1 C 23.390 0.400 1 230 108 25 VAL HG1 H 1.004 0.020 2 231 108 25 VAL CG2 C 22.211 0.400 1 232 108 25 VAL HG2 H 0.898 0.020 2 233 109 26 VAL N N 119.092 0.400 1 234 109 26 VAL H H 8.837 0.020 1 235 109 26 VAL CA C 59.084 0.400 1 236 109 26 VAL HA H 4.790 0.020 1 237 109 26 VAL CB C 35.608 0.400 1 238 109 26 VAL HB H 2.488 0.020 1 239 109 26 VAL CG1 C 21.658 0.400 1 240 109 26 VAL HG1 H 1.003 0.020 2 241 109 26 VAL CG2 C 19.081 0.400 1 242 109 26 VAL HG2 H 0.958 0.020 2 243 110 27 GLU N N 122.588 0.400 1 244 110 27 GLU H H 9.605 0.020 1 245 110 27 GLU CA C 61.951 0.400 1 246 110 27 GLU HA H 3.591 0.020 1 247 110 27 GLU CB C 28.898 0.400 1 248 110 27 GLU HB2 H 2.082 0.020 1 249 110 27 GLU HB3 H 1.865 0.020 1 250 110 27 GLU CG C 37.138 0.400 1 251 110 27 GLU HG2 H 2.323 0.020 2 252 110 27 GLU HG3 H 2.044 0.020 2 253 111 28 ALA N N 118.227 0.400 1 254 111 28 ALA H H 8.584 0.020 1 255 111 28 ALA CA C 55.412 0.400 1 256 111 28 ALA HA H 4.055 0.020 1 257 111 28 ALA CB C 18.629 0.400 1 258 111 28 ALA HB H 1.430 0.020 1 259 112 29 ASP N N 115.636 0.400 1 260 112 29 ASP H H 7.573 0.020 1 261 112 29 ASP CA C 57.462 0.400 1 262 112 29 ASP HA H 4.455 0.020 1 263 112 29 ASP CB C 41.942 0.400 1 264 112 29 ASP HB2 H 3.026 0.020 1 265 112 29 ASP HB3 H 2.576 0.020 1 266 113 30 LEU N N 120.781 0.400 1 267 113 30 LEU H H 7.279 0.020 1 268 113 30 LEU CA C 57.892 0.400 1 269 113 30 LEU HA H 3.941 0.020 1 270 113 30 LEU CB C 41.181 0.400 1 271 113 30 LEU HB2 H 2.109 0.020 1 272 113 30 LEU HB3 H 1.228 0.020 1 273 113 30 LEU CG C 28.238 0.400 1 274 113 30 LEU HG H 1.455 0.020 1 275 113 30 LEU CD1 C 26.951 0.400 1 276 113 30 LEU HD1 H 0.658 0.020 2 277 113 30 LEU CD2 C 25.706 0.400 1 278 113 30 LEU HD2 H 0.712 0.020 2 279 114 31 VAL N N 118.813 0.400 1 280 114 31 VAL H H 7.829 0.020 1 281 114 31 VAL CA C 66.878 0.400 1 282 114 31 VAL HA H 3.356 0.020 1 283 114 31 VAL CB C 31.983 0.400 1 284 114 31 VAL HB H 1.992 0.020 1 285 114 31 VAL CG1 C 22.707 0.400 1 286 114 31 VAL HG1 H 0.918 0.020 2 287 114 31 VAL CG2 C 21.318 0.400 1 288 114 31 VAL HG2 H 0.892 0.020 2 289 115 32 GLU N N 116.932 0.400 1 290 115 32 GLU H H 8.024 0.020 1 291 115 32 GLU CA C 59.338 0.400 1 292 115 32 GLU HA H 3.962 0.020 1 293 115 32 GLU CB C 29.638 0.400 1 294 115 32 GLU HB2 H 2.199 0.020 1 295 115 32 GLU HB3 H 2.065 0.020 1 296 115 32 GLU CG C 36.120 0.400 1 297 115 32 GLU HG2 H 2.398 0.020 1 298 115 32 GLU HG3 H 2.331 0.020 1 299 116 33 ALA N N 116.730 0.400 1 300 116 33 ALA H H 7.082 0.020 1 301 116 33 ALA CA C 53.979 0.400 1 302 116 33 ALA HA H 4.461 0.020 1 303 116 33 ALA CB C 21.482 0.400 1 304 116 33 ALA HB H 1.658 0.020 1 305 117 34 LEU N N 114.234 0.400 1 306 117 34 LEU H H 7.794 0.020 1 307 117 34 LEU CA C 55.246 0.400 1 308 117 34 LEU HA H 5.036 0.020 1 309 117 34 LEU CB C 43.383 0.400 1 310 117 34 LEU HB2 H 1.881 0.020 1 311 117 34 LEU HB3 H 2.053 0.020 1 312 117 34 LEU CG C 28.139 0.400 1 313 117 34 LEU HG H 1.908 0.020 1 314 117 34 LEU CD1 C 26.961 0.400 1 315 117 34 LEU HD1 H 0.902 0.020 2 316 117 34 LEU CD2 C 23.512 0.400 1 317 117 34 LEU HD2 H 1.088 0.020 2 318 118 35 GLN N N 118.816 0.400 1 319 118 35 GLN H H 8.468 0.020 1 320 118 35 GLN CA C 57.900 0.400 1 321 118 35 GLN HA H 4.664 0.020 1 322 118 35 GLN CB C 26.785 0.400 1 323 118 35 GLN HB2 H 2.276 0.020 1 324 118 35 GLN HB3 H 2.206 0.020 1 325 118 35 GLN CG C 32.628 0.400 1 326 118 35 GLN HG2 H 2.614 0.020 1 327 118 35 GLN HG3 H 2.263 0.020 1 328 118 35 GLN NE2 N 110.528 0.400 1 329 118 35 GLN HE21 H 6.705 0.020 1 330 118 35 GLN HE22 H 7.404 0.020 1 331 119 36 GLU N N 117.851 0.400 1 332 119 36 GLU H H 7.893 0.020 1 333 119 36 GLU CA C 57.645 0.400 1 334 119 36 GLU HA H 3.998 0.020 1 335 119 36 GLU CB C 28.980 0.400 1 336 119 36 GLU HB2 H 1.513 0.020 1 337 119 36 GLU HB3 H 1.585 0.020 1 338 119 36 GLU CG C 34.952 0.400 1 339 119 36 GLU HG2 H 1.560 0.020 1 340 119 36 GLU HG3 H 1.218 0.020 1 341 120 37 PHE N N 118.527 0.400 1 342 120 37 PHE H H 7.767 0.020 1 343 120 37 PHE CA C 59.615 0.400 1 344 120 37 PHE HA H 4.524 0.020 1 345 120 37 PHE CB C 38.365 0.400 1 346 120 37 PHE HB2 H 3.120 0.020 1 347 120 37 PHE HB3 H 3.540 0.020 1 348 120 37 PHE CD1 C 131.307 0.400 1 349 120 37 PHE HD1 H 7.421 0.020 1 350 120 37 PHE CE1 C 131.332 0.400 1 351 120 37 PHE HE1 H 7.022 0.020 1 352 120 37 PHE CZ C 129.734 0.400 1 353 120 37 PHE HZ H 6.492 0.020 1 354 120 37 PHE HE2 H 7.022 0.020 1 355 120 37 PHE HD2 H 7.421 0.020 1 356 121 38 GLY N N 107.793 0.400 1 357 121 38 GLY H H 7.465 0.020 1 358 121 38 GLY CA C 44.946 0.400 1 359 121 38 GLY HA2 H 4.396 0.020 2 360 121 38 GLY HA3 H 4.143 0.020 2 361 122 39 PRO CD C 49.784 0.400 1 362 122 39 PRO CA C 63.249 0.400 1 363 122 39 PRO HA H 4.590 0.020 1 364 122 39 PRO CB C 31.994 0.400 1 365 122 39 PRO HB2 H 1.957 0.020 1 366 122 39 PRO HB3 H 2.344 0.020 1 367 122 39 PRO CG C 28.267 0.400 1 368 122 39 PRO HG2 H 2.104 0.020 1 369 122 39 PRO HG3 H 2.178 0.020 1 370 122 39 PRO HD2 H 3.833 0.020 1 371 122 39 PRO HD3 H 3.716 0.020 1 372 123 40 ILE N N 125.223 0.400 1 373 123 40 ILE H H 8.618 0.020 1 374 123 40 ILE CA C 61.674 0.400 1 375 123 40 ILE HA H 3.969 0.020 1 376 123 40 ILE CB C 40.937 0.400 1 377 123 40 ILE HB H 1.566 0.020 1 378 123 40 ILE CG2 C 17.990 0.400 1 379 123 40 ILE HG2 H 0.508 0.020 1 380 123 40 ILE CG1 C 28.785 0.400 1 381 123 40 ILE HG12 H 0.081 0.020 1 382 123 40 ILE HG13 H 1.754 0.020 1 383 123 40 ILE CD1 C 14.769 0.400 1 384 123 40 ILE HD1 H 0.536 0.020 1 385 124 41 SER N N 122.853 0.400 1 386 124 41 SER H H 9.307 0.020 1 387 124 41 SER CA C 59.367 0.400 1 388 124 41 SER HA H 4.645 0.020 1 389 124 41 SER CB C 64.813 0.400 1 390 124 41 SER HB2 H 3.624 0.020 1 391 124 41 SER HB3 H 3.684 0.020 1 392 125 42 TYR N N 121.170 0.400 1 393 125 42 TYR H H 7.916 0.020 1 394 125 42 TYR CB C 42.895 0.400 1 395 125 42 TYR HB2 H 2.996 0.020 1 396 125 42 TYR HB3 H 2.523 0.020 1 397 125 42 TYR CD1 C 133.165 0.400 1 398 125 42 TYR HD1 H 7.036 0.020 1 399 125 42 TYR CE1 C 118.161 0.400 1 400 125 42 TYR HE1 H 6.814 0.020 1 401 125 42 TYR HE2 H 6.814 0.020 1 402 125 42 TYR HD2 H 7.036 0.020 1 403 126 43 VAL N N 123.523 0.400 1 404 126 43 VAL H H 7.373 0.020 1 405 126 43 VAL CA C 60.566 0.400 1 406 126 43 VAL HA H 4.743 0.020 1 407 126 43 VAL CB C 35.842 0.400 1 408 126 43 VAL HB H 1.748 0.020 1 409 126 43 VAL CG1 C 22.154 0.400 1 410 126 43 VAL HG1 H 0.791 0.020 2 411 126 43 VAL CG2 C 22.044 0.400 1 412 126 43 VAL HG2 H 0.752 0.020 2 413 127 44 VAL N N 122.788 0.400 1 414 127 44 VAL H H 8.886 0.020 1 415 127 44 VAL CA C 61.021 0.400 1 416 127 44 VAL HA H 4.453 0.020 1 417 127 44 VAL CB C 36.042 0.400 1 418 127 44 VAL HB H 1.936 0.020 1 419 127 44 VAL CG1 C 21.317 0.400 1 420 127 44 VAL HG1 H 0.977 0.020 2 421 127 44 VAL CG2 C 22.150 0.400 1 422 127 44 VAL HG2 H 1.041 0.020 2 423 128 45 VAL N N 124.698 0.400 1 424 128 45 VAL H H 8.772 0.020 1 425 128 45 VAL CA C 61.614 0.400 1 426 128 45 VAL HA H 4.226 0.020 1 427 128 45 VAL CB C 33.166 0.400 1 428 128 45 VAL HB H 2.016 0.020 1 429 128 45 VAL CG1 C 21.710 0.400 1 430 128 45 VAL HG1 H 0.822 0.020 2 431 128 45 VAL CG2 C 21.487 0.400 1 432 128 45 VAL HG2 H 0.753 0.020 2 433 129 46 MET N N 125.569 0.400 1 434 129 46 MET H H 8.643 0.020 1 435 129 46 MET CB C 32.916 0.400 1 436 129 46 MET HB2 H 2.075 0.020 2 437 129 46 MET HB3 H 1.999 0.020 2 438 129 46 MET CG C 32.562 0.400 1 439 129 46 MET HG2 H 2.694 0.020 1 440 129 46 MET HG3 H 2.296 0.020 1 441 129 46 MET CE C 17.948 0.400 1 442 129 46 MET HE H 2.063 0.020 1 443 130 47 PRO CD C 51.324 0.400 1 444 130 47 PRO CA C 65.452 0.400 1 445 130 47 PRO HA H 4.330 0.020 1 446 130 47 PRO CB C 32.522 0.400 1 447 130 47 PRO HB2 H 2.074 0.020 1 448 130 47 PRO HB3 H 2.520 0.020 1 449 130 47 PRO CG C 27.587 0.400 1 450 130 47 PRO HG2 H 2.130 0.020 2 451 130 47 PRO HG3 H 2.130 0.020 2 452 130 47 PRO HD2 H 3.965 0.020 1 453 130 47 PRO HD3 H 3.814 0.020 1 454 131 48 LYS N N 116.847 0.400 1 455 131 48 LYS H H 8.738 0.020 1 456 131 48 LYS CA C 58.652 0.400 1 457 131 48 LYS HA H 4.198 0.020 1 458 131 48 LYS CB C 31.779 0.400 1 459 131 48 LYS HB2 H 1.937 0.020 2 460 131 48 LYS HB3 H 1.937 0.020 2 461 131 48 LYS CG C 25.672 0.400 1 462 131 48 LYS HG2 H 1.583 0.020 2 463 131 48 LYS HG3 H 1.503 0.020 2 464 131 48 LYS CD C 29.023 0.400 1 465 131 48 LYS HD2 H 1.748 0.020 2 466 131 48 LYS HD3 H 1.748 0.020 2 467 131 48 LYS CE C 42.185 0.400 1 468 131 48 LYS HE2 H 3.051 0.020 2 469 131 48 LYS HE3 H 3.051 0.020 2 470 132 49 LYS N N 114.670 0.400 1 471 132 49 LYS H H 7.345 0.020 1 472 132 49 LYS CA C 54.942 0.400 1 473 132 49 LYS HA H 4.499 0.020 1 474 132 49 LYS CB C 33.651 0.400 1 475 132 49 LYS HB2 H 2.104 0.020 2 476 132 49 LYS HB3 H 1.611 0.020 2 477 132 49 LYS CD C 28.634 0.400 1 478 132 49 LYS HD2 H 1.699 0.020 2 479 132 49 LYS HD3 H 1.699 0.020 2 480 133 50 ARG N N 117.153 0.400 1 481 133 50 ARG H H 8.120 0.020 1 482 133 50 ARG CA C 57.363 0.400 1 483 133 50 ARG HA H 3.934 0.020 1 484 133 50 ARG CB C 27.795 0.400 1 485 133 50 ARG HB2 H 1.580 0.020 2 486 133 50 ARG HB3 H 1.490 0.020 2 487 133 50 ARG CG C 26.428 0.400 1 488 133 50 ARG HG2 H 2.078 0.020 1 489 133 50 ARG HG3 H 2.324 0.020 1 490 133 50 ARG CD C 43.545 0.400 1 491 133 50 ARG HD2 H 3.284 0.020 2 492 133 50 ARG HD3 H 3.191 0.020 2 493 133 50 ARG NE N 86.230 0.400 1 494 133 50 ARG HE H 7.401 0.020 1 495 134 51 GLN N N 114.321 0.400 1 496 134 51 GLN H H 7.292 0.020 1 497 134 51 GLN CA C 53.379 0.400 1 498 134 51 GLN HA H 5.302 0.020 1 499 134 51 GLN CB C 36.021 0.400 1 500 134 51 GLN HB2 H 1.758 0.020 1 501 134 51 GLN HB3 H 2.322 0.020 1 502 134 51 GLN CG C 34.028 0.400 1 503 134 51 GLN HG2 H 2.730 0.020 2 504 134 51 GLN HG3 H 2.530 0.020 2 505 134 51 GLN NE2 N 112.362 0.400 1 506 134 51 GLN HE21 H 7.518 0.020 1 507 134 51 GLN HE22 H 6.840 0.020 1 508 135 52 ALA N N 119.415 0.400 1 509 135 52 ALA H H 8.772 0.020 1 510 135 52 ALA CA C 51.360 0.400 1 511 135 52 ALA HA H 4.995 0.020 1 512 135 52 ALA CB C 24.701 0.400 1 513 135 52 ALA HB H 1.237 0.020 1 514 136 53 LEU N N 118.713 0.400 1 515 136 53 LEU H H 8.945 0.020 1 516 136 53 LEU CA C 53.661 0.400 1 517 136 53 LEU HA H 5.456 0.020 1 518 136 53 LEU CB C 46.075 0.400 1 519 136 53 LEU HB2 H 1.474 0.020 1 520 136 53 LEU HB3 H 1.053 0.020 1 521 136 53 LEU CD1 C 23.651 0.400 1 522 136 53 LEU HD1 H 0.970 0.020 2 523 136 53 LEU CD2 C 23.187 0.400 1 524 136 53 LEU HD2 H 0.804 0.020 2 525 137 54 VAL N N 121.010 0.400 1 526 137 54 VAL H H 8.800 0.020 1 527 137 54 VAL CA C 61.265 0.400 1 528 137 54 VAL HA H 4.380 0.020 1 529 137 54 VAL CB C 34.801 0.400 1 530 137 54 VAL HB H 1.757 0.020 1 531 137 54 VAL CG1 C 21.067 0.400 1 532 137 54 VAL HG1 H 0.324 0.020 2 533 137 54 VAL CG2 C 21.971 0.400 1 534 137 54 VAL HG2 H 0.724 0.020 2 535 138 55 GLU N N 129.076 0.400 1 536 138 55 GLU H H 9.235 0.020 1 537 138 55 GLU CA C 54.620 0.400 1 538 138 55 GLU HA H 4.980 0.020 1 539 138 55 GLU CB C 32.080 0.400 1 540 138 55 GLU HB2 H 2.047 0.020 2 541 138 55 GLU HB3 H 2.047 0.020 2 542 138 55 GLU CG C 36.755 0.400 1 543 138 55 GLU HG2 H 2.189 0.020 1 544 138 55 GLU HG3 H 2.053 0.020 1 545 139 56 PHE N N 129.077 0.400 1 546 139 56 PHE H H 9.411 0.020 1 547 139 56 PHE CA C 59.920 0.400 1 548 139 56 PHE HA H 4.634 0.020 1 549 139 56 PHE CB C 39.654 0.400 1 550 139 56 PHE HB2 H 3.919 0.020 1 551 139 56 PHE HB3 H 3.224 0.020 1 552 139 56 PHE CD1 C 132.014 0.400 1 553 139 56 PHE HD1 H 7.356 0.020 1 554 139 56 PHE CE1 C 131.120 0.400 1 555 139 56 PHE HE1 H 7.276 0.020 1 556 139 56 PHE CZ C 128.552 0.400 1 557 139 56 PHE HZ H 7.147 0.020 1 558 139 56 PHE HE2 H 7.276 0.020 1 559 139 56 PHE HD2 H 7.356 0.020 1 560 140 57 GLU N N 119.702 0.400 1 561 140 57 GLU H H 8.659 0.020 1 562 140 57 GLU CA C 59.208 0.400 1 563 140 57 GLU HA H 4.044 0.020 1 564 140 57 GLU CB C 30.803 0.400 1 565 140 57 GLU HB2 H 1.947 0.020 1 566 140 57 GLU HB3 H 2.137 0.020 1 567 140 57 GLU CG C 37.069 0.400 1 568 140 57 GLU HG2 H 2.280 0.020 1 569 140 57 GLU HG3 H 2.236 0.020 1 570 141 58 ASP N N 115.108 0.400 1 571 141 58 ASP H H 8.537 0.020 1 572 141 58 ASP CA C 52.333 0.400 1 573 141 58 ASP HA H 4.951 0.020 1 574 141 58 ASP CB C 45.632 0.400 1 575 141 58 ASP HB2 H 2.886 0.020 1 576 141 58 ASP HB3 H 2.811 0.020 1 577 142 59 VAL N N 122.226 0.400 1 578 142 59 VAL H H 8.568 0.020 1 579 142 59 VAL CA C 64.996 0.400 1 580 142 59 VAL HA H 3.851 0.020 1 581 142 59 VAL CB C 32.129 0.400 1 582 142 59 VAL HB H 2.132 0.020 1 583 142 59 VAL CG1 C 20.227 0.400 1 584 142 59 VAL HG1 H 0.978 0.020 2 585 142 59 VAL CG2 C 22.012 0.400 1 586 142 59 VAL HG2 H 0.941 0.020 2 587 143 60 LEU N N 121.650 0.400 1 588 143 60 LEU H H 8.488 0.020 1 589 143 60 LEU CA C 58.321 0.400 1 590 143 60 LEU HA H 4.025 0.020 1 591 143 60 LEU CB C 41.318 0.400 1 592 143 60 LEU HB2 H 1.777 0.020 1 593 143 60 LEU HB3 H 1.668 0.020 1 594 143 60 LEU CG C 27.154 0.400 1 595 143 60 LEU HG H 1.755 0.020 1 596 143 60 LEU CD1 C 24.439 0.400 1 597 143 60 LEU HD1 H 1.004 0.020 2 598 143 60 LEU CD2 C 24.170 0.400 1 599 143 60 LEU HD2 H 0.962 0.020 2 600 144 61 GLY N N 105.914 0.400 1 601 144 61 GLY H H 7.705 0.020 1 602 144 61 GLY CA C 47.200 0.400 1 603 144 61 GLY HA2 H 3.755 0.020 2 604 144 61 GLY HA3 H 3.476 0.020 2 605 145 62 ALA N N 122.184 0.400 1 606 145 62 ALA H H 6.226 0.020 1 607 145 62 ALA CA C 54.981 0.400 1 608 145 62 ALA HA H 3.351 0.020 1 609 145 62 ALA CB C 20.841 0.400 1 610 145 62 ALA HB H 1.839 0.020 1 611 146 63 CYS N N 116.202 0.400 1 612 146 63 CYS H H 8.722 0.020 1 613 146 63 CYS CA C 61.112 0.400 1 614 146 63 CYS HA H 4.646 0.020 1 615 146 63 CYS CB C 26.907 0.400 1 616 146 63 CYS HB2 H 3.029 0.020 2 617 146 63 CYS HB3 H 2.962 0.020 2 618 147 64 ASN N N 118.569 0.400 1 619 147 64 ASN H H 8.349 0.020 1 620 147 64 ASN CA C 55.683 0.400 1 621 147 64 ASN HA H 4.468 0.020 1 622 147 64 ASN CB C 37.541 0.400 1 623 147 64 ASN HB2 H 3.364 0.020 1 624 147 64 ASN HB3 H 3.037 0.020 1 625 147 64 ASN ND2 N 109.938 0.400 1 626 147 64 ASN HD21 H 7.844 0.020 1 627 147 64 ASN HD22 H 6.782 0.020 1 628 148 65 ALA N N 123.371 0.400 1 629 148 65 ALA H H 7.458 0.020 1 630 148 65 ALA CA C 54.917 0.400 1 631 148 65 ALA HA H 2.353 0.020 1 632 148 65 ALA CB C 18.204 0.400 1 633 148 65 ALA HB H 1.011 0.020 1 634 149 66 VAL N N 117.566 0.400 1 635 149 66 VAL H H 8.323 0.020 1 636 149 66 VAL CB C 31.489 0.400 1 637 149 66 VAL HB H 1.730 0.020 1 638 149 66 VAL CG1 C 21.003 0.400 1 639 149 66 VAL HG1 H 0.619 0.020 2 640 149 66 VAL CG2 C 23.612 0.400 1 641 149 66 VAL HG2 H 0.162 0.020 2 642 150 67 ASN N N 117.892 0.400 1 643 150 67 ASN H H 8.831 0.020 1 644 150 67 ASN CA C 55.982 0.400 1 645 150 67 ASN HA H 4.507 0.020 1 646 150 67 ASN CB C 37.782 0.400 1 647 150 67 ASN HB2 H 2.991 0.020 2 648 150 67 ASN HB3 H 2.738 0.020 2 649 151 68 TYR N N 122.701 0.400 1 650 151 68 TYR H H 7.997 0.020 1 651 151 68 TYR CA C 62.123 0.400 1 652 151 68 TYR HA H 4.195 0.020 1 653 151 68 TYR CB C 39.257 0.400 1 654 151 68 TYR HB2 H 3.256 0.020 1 655 151 68 TYR HB3 H 2.919 0.020 1 656 151 68 TYR CD1 C 133.964 0.400 1 657 151 68 TYR HD1 H 7.115 0.020 1 658 151 68 TYR CE1 C 118.315 0.400 1 659 151 68 TYR HE1 H 6.844 0.020 1 660 151 68 TYR HE2 H 6.844 0.020 1 661 151 68 TYR HD2 H 7.115 0.020 1 662 152 69 ALA N N 120.281 0.400 1 663 152 69 ALA H H 8.033 0.020 1 664 152 69 ALA CA C 52.662 0.400 1 665 152 69 ALA HA H 4.566 0.020 1 666 152 69 ALA CB C 18.862 0.400 1 667 152 69 ALA HB H 1.567 0.020 1 668 153 70 ALA N N 120.167 0.400 1 669 153 70 ALA H H 7.478 0.020 1 670 153 70 ALA CA C 54.851 0.400 1 671 153 70 ALA HA H 4.165 0.020 1 672 153 70 ALA CB C 18.438 0.400 1 673 153 70 ALA HB H 1.506 0.020 1 674 154 71 ASP N N 112.932 0.400 1 675 154 71 ASP H H 7.099 0.020 1 676 154 71 ASP CA C 53.966 0.400 1 677 154 71 ASP HA H 4.914 0.020 1 678 154 71 ASP CB C 43.368 0.400 1 679 154 71 ASP HB2 H 2.636 0.020 2 680 154 71 ASP HB3 H 2.636 0.020 2 681 155 72 ASN N N 118.008 0.400 1 682 155 72 ASN H H 7.692 0.020 1 683 155 72 ASN CA C 52.016 0.400 1 684 155 72 ASN HA H 4.773 0.020 1 685 155 72 ASN CB C 42.375 0.400 1 686 155 72 ASN HB2 H 1.664 0.020 1 687 155 72 ASN HB3 H 2.149 0.020 1 688 156 73 GLN N N 117.637 0.400 1 689 156 73 GLN H H 8.182 0.020 1 690 156 73 GLN CA C 55.272 0.400 1 691 156 73 GLN HA H 4.372 0.020 1 692 156 73 GLN CB C 30.672 0.400 1 693 156 73 GLN HB2 H 1.950 0.020 1 694 156 73 GLN HB3 H 1.761 0.020 1 695 156 73 GLN CG C 34.148 0.400 1 696 156 73 GLN HG2 H 2.020 0.020 2 697 156 73 GLN HG3 H 1.753 0.020 2 698 157 74 ILE N N 125.954 0.400 1 699 157 74 ILE H H 8.889 0.020 1 700 157 74 ILE CB C 39.088 0.400 1 701 157 74 ILE HB H 1.748 0.020 1 702 157 74 ILE CG2 C 16.639 0.400 1 703 157 74 ILE HG2 H 0.833 0.020 1 704 157 74 ILE CG1 C 28.842 0.400 1 705 157 74 ILE HG12 H 1.358 0.020 1 706 157 74 ILE HG13 H 1.773 0.020 1 707 157 74 ILE CD1 C 13.738 0.400 1 708 157 74 ILE HD1 H 0.963 0.020 1 709 158 75 TYR N N 126.230 0.400 1 710 158 75 TYR H H 8.711 0.020 1 711 158 75 TYR CA C 57.178 0.400 1 712 158 75 TYR HA H 4.650 0.020 1 713 158 75 TYR CB C 40.549 0.400 1 714 158 75 TYR HB2 H 2.860 0.020 1 715 158 75 TYR HB3 H 2.347 0.020 1 716 158 75 TYR CD1 C 132.493 0.400 1 717 158 75 TYR HD1 H 6.750 0.020 1 718 158 75 TYR CE1 C 118.077 0.400 1 719 158 75 TYR HE1 H 6.750 0.020 1 720 158 75 TYR HE2 H 6.750 0.020 1 721 158 75 TYR HD2 H 6.750 0.020 1 722 159 76 ILE N N 121.130 0.400 1 723 159 76 ILE H H 8.845 0.020 1 724 159 76 ILE CA C 60.121 0.400 1 725 159 76 ILE HA H 4.220 0.020 1 726 159 76 ILE CB C 39.186 0.400 1 727 159 76 ILE HB H 1.710 0.020 1 728 159 76 ILE CG2 C 17.900 0.400 1 729 159 76 ILE HG2 H 0.703 0.020 1 730 159 76 ILE CG1 C 27.276 0.400 1 731 159 76 ILE HG12 H 1.293 0.020 1 732 159 76 ILE HG13 H 0.963 0.020 1 733 159 76 ILE CD1 C 13.420 0.400 1 734 159 76 ILE HD1 H 0.641 0.020 1 735 160 77 ALA N N 131.837 0.400 1 736 160 77 ALA H H 9.666 0.020 1 737 160 77 ALA CA C 52.999 0.400 1 738 160 77 ALA HA H 4.098 0.020 1 739 160 77 ALA CB C 17.432 0.400 1 740 160 77 ALA HB H 1.414 0.020 1 741 161 78 GLY N N 101.699 0.400 1 742 161 78 GLY H H 8.684 0.020 1 743 161 78 GLY CA C 45.471 0.400 1 744 161 78 GLY HA2 H 4.170 0.020 2 745 161 78 GLY HA3 H 3.613 0.020 2 746 162 79 HIS N N 120.000 0.400 1 747 162 79 HIS H H 7.939 0.020 1 748 162 79 HIS CA C 53.661 0.400 1 749 162 79 HIS HA H 5.193 0.020 1 750 162 79 HIS CB C 31.995 0.400 1 751 162 79 HIS HB2 H 3.364 0.020 2 752 162 79 HIS HB3 H 2.996 0.020 2 753 162 79 HIS CD2 C 121.793 0.400 1 754 162 79 HIS CE1 C 137.572 0.400 1 755 162 79 HIS HD2 H 7.513 0.020 1 756 162 79 HIS HE1 H 8.432 0.020 1 757 163 80 PRO CD C 50.824 0.400 1 758 163 80 PRO CA C 63.355 0.400 1 759 163 80 PRO HA H 4.206 0.020 1 760 163 80 PRO CB C 32.188 0.400 1 761 163 80 PRO HB2 H 1.643 0.020 2 762 163 80 PRO HB3 H 1.643 0.020 2 763 163 80 PRO CG C 27.516 0.400 1 764 163 80 PRO HG2 H 1.813 0.020 1 765 163 80 PRO HG3 H 2.078 0.020 1 766 163 80 PRO HD2 H 3.550 0.020 1 767 163 80 PRO HD3 H 3.772 0.020 1 768 164 81 ALA N N 124.710 0.400 1 769 164 81 ALA H H 7.931 0.020 1 770 164 81 ALA CA C 50.253 0.400 1 771 164 81 ALA HA H 4.452 0.020 1 772 164 81 ALA CB C 22.680 0.400 1 773 164 81 ALA HB H 1.120 0.020 1 774 165 82 PHE N N 117.038 0.400 1 775 165 82 PHE H H 8.058 0.020 1 776 165 82 PHE CA C 57.232 0.400 1 777 165 82 PHE HA H 4.923 0.020 1 778 165 82 PHE CB C 41.012 0.400 1 779 165 82 PHE HB2 H 3.078 0.020 2 780 165 82 PHE HB3 H 2.515 0.020 2 781 165 82 PHE CD1 C 131.738 0.400 1 782 165 82 PHE HD1 H 7.142 0.020 1 783 165 82 PHE CE1 C 131.313 0.400 1 784 165 82 PHE HE1 H 7.341 0.020 1 785 165 82 PHE CZ C 129.743 0.400 1 786 165 82 PHE HZ H 7.254 0.020 1 787 165 82 PHE HE2 H 7.341 0.020 1 788 165 82 PHE HD2 H 7.142 0.020 1 789 166 83 VAL N N 120.014 0.400 1 790 166 83 VAL H H 8.587 0.020 1 791 166 83 VAL CA C 60.564 0.400 1 792 166 83 VAL HA H 5.009 0.020 1 793 166 83 VAL CB C 35.036 0.400 1 794 166 83 VAL HB H 1.759 0.020 1 795 166 83 VAL CG1 C 21.004 0.400 1 796 166 83 VAL HG1 H 0.766 0.020 2 797 166 83 VAL CG2 C 21.121 0.400 1 798 166 83 VAL HG2 H 0.685 0.020 2 799 167 84 ASN N N 122.115 0.400 1 800 167 84 ASN H H 8.665 0.020 1 801 167 84 ASN CA C 51.277 0.400 1 802 167 84 ASN HA H 4.850 0.020 1 803 167 84 ASN CB C 42.479 0.400 1 804 167 84 ASN HB2 H 2.972 0.020 2 805 167 84 ASN HB3 H 2.972 0.020 2 806 167 84 ASN ND2 N 112.671 0.400 1 807 167 84 ASN HD21 H 8.339 0.020 2 808 167 84 ASN HD22 H 7.090 0.020 2 809 168 85 TYR N N 121.318 0.400 1 810 168 85 TYR H H 8.420 0.020 1 811 168 85 TYR CA C 60.241 0.400 1 812 168 85 TYR HA H 4.739 0.020 1 813 168 85 TYR CB C 39.047 0.400 1 814 168 85 TYR HB2 H 2.664 0.020 1 815 168 85 TYR HB3 H 3.286 0.020 1 816 168 85 TYR CD1 C 133.341 0.400 1 817 168 85 TYR HD1 H 7.373 0.020 1 818 168 85 TYR CE1 C 118.990 0.400 1 819 168 85 TYR HE1 H 6.804 0.020 1 820 168 85 TYR HE2 H 6.804 0.020 1 821 168 85 TYR HD2 H 7.373 0.020 1 822 169 86 SER N N 116.265 0.400 1 823 169 86 SER H H 9.137 0.020 1 824 169 86 SER CA C 58.409 0.400 1 825 169 86 SER HA H 4.732 0.020 1 826 169 86 SER CB C 64.023 0.400 1 827 169 86 SER HB2 H 3.861 0.020 2 828 169 86 SER HB3 H 3.710 0.020 2 829 170 87 THR CA C 63.848 0.400 1 830 170 87 THR HA H 4.108 0.020 1 831 170 87 THR CB C 68.615 0.400 1 832 170 87 THR HB H 4.324 0.020 1 833 170 87 THR CG2 C 22.428 0.400 1 834 170 87 THR HG2 H 1.270 0.020 1 835 171 88 SER N N 119.649 0.400 1 836 171 88 SER H H 8.986 0.020 1 837 171 88 SER CA C 58.917 0.400 1 838 171 88 SER HA H 4.622 0.020 1 839 171 88 SER CB C 64.008 0.400 1 840 171 88 SER HB2 H 3.869 0.020 2 841 171 88 SER HB3 H 3.869 0.020 2 842 172 89 GLN N N 120.803 0.400 1 843 172 89 GLN H H 8.716 0.020 1 844 172 89 GLN CA C 56.081 0.400 1 845 172 89 GLN HA H 4.475 0.020 1 846 172 89 GLN CB C 29.431 0.400 1 847 172 89 GLN HB2 H 2.431 0.020 1 848 172 89 GLN HB3 H 1.850 0.020 1 849 172 89 GLN CG C 34.008 0.400 1 850 172 89 GLN HG2 H 2.503 0.020 2 851 172 89 GLN HG3 H 2.441 0.020 2 852 172 89 GLN NE2 N 113.178 0.400 1 853 172 89 GLN HE21 H 7.371 0.020 2 854 172 89 GLN HE22 H 7.089 0.020 2 855 173 90 LYS N N 115.970 0.400 1 856 173 90 LYS H H 7.475 0.020 1 857 173 90 LYS CA C 55.593 0.400 1 858 173 90 LYS HA H 4.169 0.020 1 859 173 90 LYS CB C 35.828 0.400 1 860 173 90 LYS HB2 H 1.733 0.020 2 861 173 90 LYS HB3 H 1.691 0.020 2 862 173 90 LYS CG C 24.178 0.400 1 863 173 90 LYS HG2 H 1.381 0.020 1 864 173 90 LYS HG3 H 1.350 0.020 1 865 173 90 LYS CD C 29.096 0.400 1 866 173 90 LYS HD2 H 1.686 0.020 2 867 173 90 LYS HD3 H 1.686 0.020 2 868 173 90 LYS CE C 42.207 0.400 1 869 173 90 LYS HE2 H 2.997 0.020 2 870 173 90 LYS HE3 H 2.997 0.020 2 871 174 91 ILE N N 125.293 0.400 1 872 174 91 ILE H H 8.740 0.020 1 873 174 91 ILE CB C 38.541 0.400 1 874 174 91 ILE HB H 1.682 0.020 1 875 174 91 ILE CG2 C 18.191 0.400 1 876 174 91 ILE HG2 H 0.886 0.020 1 877 174 91 ILE CD1 C 15.776 0.400 1 878 174 91 ILE HD1 H 0.794 0.020 1 879 175 92 SER CA C 59.266 0.400 1 880 175 92 SER HA H 4.350 0.020 1 881 175 92 SER CB C 63.016 0.400 1 882 175 92 SER HB2 H 3.882 0.020 2 883 175 92 SER HB3 H 3.882 0.020 2 884 176 93 ARG N N 125.447 0.400 1 885 176 93 ARG H H 8.410 0.020 1 886 176 93 ARG CB C 29.976 0.400 1 887 176 93 ARG HB2 H 1.713 0.020 2 888 176 93 ARG HB3 H 1.670 0.020 2 889 176 93 ARG CG C 26.760 0.400 1 890 176 93 ARG HG2 H 1.349 0.020 2 891 176 93 ARG HG3 H 1.349 0.020 2 892 176 93 ARG CD C 43.247 0.400 1 893 176 93 ARG HD2 H 2.487 0.020 2 894 176 93 ARG HD3 H 2.437 0.020 2 895 176 93 ARG NE N 85.734 0.400 1 896 176 93 ARG HE H 6.920 0.020 1 897 177 94 PRO CD C 50.760 0.400 1 898 177 94 PRO CA C 63.773 0.400 1 899 177 94 PRO HA H 4.418 0.020 1 900 177 94 PRO CB C 32.072 0.400 1 901 177 94 PRO HB2 H 1.983 0.020 1 902 177 94 PRO HB3 H 2.346 0.020 1 903 177 94 PRO CG C 27.813 0.400 1 904 177 94 PRO HG2 H 2.178 0.020 2 905 177 94 PRO HG3 H 2.061 0.020 2 906 177 94 PRO HD2 H 3.697 0.020 1 907 177 94 PRO HD3 H 4.290 0.020 1 908 178 95 GLY N N 109.727 0.400 1 909 178 95 GLY H H 8.518 0.020 1 910 178 95 GLY CA C 45.407 0.400 1 911 178 95 GLY HA2 H 4.006 0.020 2 912 178 95 GLY HA3 H 4.006 0.020 2 913 179 96 ASP N N 120.659 0.400 1 914 179 96 ASP H H 8.118 0.020 1 915 179 96 ASP CA C 54.636 0.400 1 916 179 96 ASP HA H 4.664 0.020 1 917 179 96 ASP CB C 41.258 0.400 1 918 179 96 ASP HB2 H 2.764 0.020 2 919 179 96 ASP HB3 H 2.718 0.020 2 920 180 97 SER N N 115.578 0.400 1 921 180 97 SER H H 8.275 0.020 1 922 180 97 SER CA C 58.390 0.400 1 923 180 97 SER HA H 4.519 0.020 1 924 180 97 SER CB C 63.970 0.400 1 925 180 97 SER HB2 H 3.905 0.020 2 926 180 97 SER HB3 H 3.905 0.020 2 927 181 98 ASP N N 122.481 0.400 1 928 181 98 ASP H H 8.366 0.020 1 929 181 98 ASP CA C 54.667 0.400 1 930 181 98 ASP HA H 4.670 0.020 1 931 181 98 ASP CB C 41.264 0.400 1 932 181 98 ASP HB2 H 2.782 0.020 2 933 181 98 ASP HB3 H 2.718 0.020 2 934 182 99 ASP N N 121.305 0.400 1 935 182 99 ASP H H 8.320 0.020 1 936 182 99 ASP CA C 54.668 0.400 1 937 182 99 ASP HA H 4.651 0.020 1 938 182 99 ASP CB C 41.275 0.400 1 939 182 99 ASP HB2 H 2.750 0.020 2 940 182 99 ASP HB3 H 2.696 0.020 2 941 183 100 SER N N 116.389 0.400 1 942 183 100 SER H H 8.315 0.020 1 943 183 100 SER CA C 59.230 0.400 1 944 183 100 SER HA H 4.424 0.020 1 945 183 100 SER CB C 63.746 0.400 1 946 183 100 SER HB2 H 3.975 0.020 2 947 183 100 SER HB3 H 3.975 0.020 2 948 184 101 ARG N N 122.019 0.400 1 949 184 101 ARG H H 8.147 0.020 1 950 184 101 ARG CA C 56.430 0.400 1 951 184 101 ARG HA H 4.410 0.020 1 952 184 101 ARG CB C 30.602 0.400 1 953 184 101 ARG HB2 H 1.955 0.020 2 954 184 101 ARG HB3 H 1.849 0.020 2 955 184 101 ARG CG C 27.201 0.400 1 956 184 101 ARG HG2 H 1.703 0.020 2 957 184 101 ARG HG3 H 1.671 0.020 2 958 184 101 ARG CD C 43.448 0.400 1 959 184 101 ARG HD2 H 3.241 0.020 2 960 184 101 ARG HD3 H 3.241 0.020 2 961 185 102 SER N N 116.576 0.400 1 962 185 102 SER H H 8.232 0.020 1 963 185 102 SER CA C 58.297 0.400 1 964 185 102 SER HA H 4.519 0.020 1 965 185 102 SER CB C 63.970 0.400 1 966 185 102 SER HB2 H 3.905 0.020 2 967 185 102 SER HB3 H 3.905 0.020 2 968 186 103 VAL N N 120.967 0.400 1 969 186 103 VAL H H 8.079 0.020 1 970 186 103 VAL CA C 62.392 0.400 1 971 186 103 VAL HA H 4.224 0.020 1 972 186 103 VAL CB C 32.815 0.400 1 973 186 103 VAL HB H 2.167 0.020 1 974 186 103 VAL CG1 C 21.230 0.400 1 975 186 103 VAL HG1 H 0.984 0.020 2 976 186 103 VAL CG2 C 20.244 0.400 1 977 186 103 VAL HG2 H 0.966 0.020 2 978 187 104 ASN N N 122.212 0.400 1 979 187 104 ASN H H 8.427 0.020 1 980 187 104 ASN CA C 53.352 0.400 1 981 187 104 ASN HA H 4.859 0.020 1 982 187 104 ASN CB C 39.370 0.400 1 983 187 104 ASN HB2 H 2.918 0.020 2 984 187 104 ASN HB3 H 2.775 0.020 2 985 188 105 SER N N 121.758 0.400 1 986 188 105 SER H H 7.877 0.020 1 987 188 105 SER CA C 60.044 0.400 1 988 188 105 SER HA H 4.302 0.020 1 stop_ save_ save_shifts2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name "RNA (5'-R(*CP*AP*CP*AP*CP*A)-3')" _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 C H1' H 5.788 0.000 . 2 1 1 C H2' H 4.564 0.000 . 3 1 1 C H3' H 4.444 0.000 . 4 1 1 C H4' H 4.321 0.000 . 5 1 1 C H5 H 5.836 0.000 . 6 1 1 C H5' H 3.977 0.000 . 7 1 1 C H5'' H 3.892 0.000 . 8 1 1 C H6 H 7.759 0.000 . 9 1 1 C C1' C 93.157 0.000 . 10 1 1 C C2' C 75.537 0.000 . 11 1 1 C C3' C 76.123 0.000 . 12 1 1 C C4' C 85.669 0.000 . 13 1 1 C C5 C 98.605 0.000 . 14 1 1 C C5' C 63.133 0.005 . 15 1 1 C C6 C 143.858 0.000 . 16 2 2 A H1' H 5.919 0.000 . 17 2 2 A H2 H 8.103 0.000 . 18 2 2 A H2' H 4.924 0.000 . 19 2 2 A H3' H 4.810 0.000 . 20 2 2 A H4' H 4.598 0.000 . 21 2 2 A H5' H 4.384 0.000 . 22 2 2 A H5'' H 4.307 0.000 . 23 2 2 A H8 H 8.235 0.000 . 24 2 2 A C1' C 91.100 0.000 . 25 2 2 A C2 C 155.361 0.000 . 26 2 2 A C2' C 75.492 0.000 . 27 2 2 A C3' C 75.957 0.000 . 28 2 2 A C4' C 85.011 0.000 . 29 2 2 A C5' C 67.314 0.003 . 30 2 2 A C8 C 142.289 0.000 . 31 3 3 C H1' H 5.840 0.000 . 32 3 3 C H2' H 4.385 0.000 . 33 3 3 C H3' H 4.742 0.000 . 34 3 3 C H4' H 4.441 0.000 . 35 3 3 C H5 H 5.781 0.000 . 36 3 3 C H5' H 4.348 0.000 . 37 3 3 C H5'' H 4.236 0.000 . 38 3 3 C H6 H 7.673 0.000 . 39 3 3 C C1' C 91.859 0.000 . 40 3 3 C C2' C 76.457 0.000 . 41 3 3 C C3' C 74.879 0.000 . 42 3 3 C C4' C 84.758 0.000 . 43 3 3 C C5 C 98.724 0.000 . 44 3 3 C C5' C 67.403 0.010 . 45 3 3 C C6 C 142.921 0.000 . 46 4 4 A H1' H 5.931 0.000 . 47 4 4 A H2 H 8.156 0.000 . 48 4 4 A H2' H 4.795 0.000 . 49 4 4 A H3' H 4.756 0.000 . 50 4 4 A H4' H 4.566 0.000 . 51 4 4 A H5' H 4.408 0.000 . 52 4 4 A H5'' H 4.253 0.000 . 53 4 4 A H8 H 8.314 0.000 . 54 4 4 A C1' C 92.206 0.000 . 55 4 4 A C2 C 155.259 0.000 . 56 4 4 A C2' C 76.001 0.000 . 57 4 4 A C3' C 77.466 0.000 . 58 4 4 A C4' C 84.263 0.000 . 59 4 4 A C5' C 66.555 0.004 . 60 4 4 A C8 C 141.521 0.000 . 61 5 5 C H1' H 5.675 0.000 . 62 5 5 C H2' H 4.255 0.000 . 63 5 5 C H3' H 4.556 0.000 . 64 5 5 C H4' H 4.377 0.000 . 65 5 5 C H5 H 5.603 0.000 . 66 5 5 C H5' H 4.424 0.000 . 67 5 5 C H5'' H 4.175 0.000 . 68 5 5 C H6 H 7.584 0.000 . 69 5 5 C C1' C 92.428 0.000 . 70 5 5 C C2' C 76.359 0.000 . 71 5 5 C C3' C 74.686 0.000 . 72 5 5 C C4' C 83.517 0.000 . 73 5 5 C C5 C 98.139 0.000 . 74 5 5 C C5' C 66.123 0.001 . 75 5 5 C C6 C 141.906 0.000 . 76 6 6 A H1' H 6.111 0.000 . 77 6 6 A H2 H 8.243 0.000 . 78 6 6 A H2' H 4.570 0.000 . 79 6 6 A H3' H 4.511 0.000 . 80 6 6 A H4' H 4.400 0.000 . 81 6 6 A H5' H 4.286 0.000 . 82 6 6 A H5'' H 4.184 0.000 . 83 6 6 A H8 H 8.428 0.000 . 84 6 6 A C1' C 90.160 0.000 . 85 6 6 A C2 C 155.621 0.000 . 86 6 6 A C2' C 77.849 0.000 . 87 6 6 A C3' C 72.862 0.000 . 88 6 6 A C4' C 86.332 0.000 . 89 6 6 A C5' C 67.409 0.001 . 90 6 6 A C8 C 142.021 0.000 . stop_ save_