################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17408 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-1H NOESY' . . . 17408 1 3 '1H-1H TOCSY' . . . 17408 1 4 HCCH-COSY . . . 17408 1 5 '13C HSQC-NOESY' . . . 17408 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 G H1 H 1 12.179 0.006 . . 4 . . A 17 G H1 . 17408 1 2 . 1 1 1 1 G H1' H 1 5.649 0.007 . . 19 . . A 17 G H1' . 17408 1 3 . 1 1 1 1 G H2' H 1 4.787 0.002 . . 3 . . A 17 G H2' . 17408 1 4 . 1 1 1 1 G H4' H 1 4.542 0.000 . . 2 . . A 17 G H4' . 17408 1 5 . 1 1 1 1 G H8 H 1 8.067 0.034 . . 10 . . A 17 G H8 . 17408 1 6 . 1 1 2 2 G H1 H 1 13.191 0.011 . . 11 . . A 18 G H1 . 17408 1 7 . 1 1 2 2 G H1' H 1 5.737 0.008 . . 12 . . A 18 G H1' . 17408 1 8 . 1 1 2 2 G H2' H 1 4.474 0.005 . . 6 . . A 18 G H2' . 17408 1 9 . 1 1 2 2 G H3' H 1 4.623 0.000 . . 1 . . A 18 G H3' . 17408 1 10 . 1 1 2 2 G H4' H 1 4.458 0.020 . . 3 . . A 18 G H4' . 17408 1 11 . 1 1 2 2 G H8 H 1 7.472 0.024 . . 21 . . A 18 G H8 . 17408 1 12 . 1 1 3 3 C H1' H 1 5.454 0.011 . . 17 . . A 19 C H1' . 17408 1 13 . 1 1 3 3 C H2' H 1 4.529 0.006 . . 5 . . A 19 C H2' . 17408 1 14 . 1 1 3 3 C H3' H 1 4.492 0.002 . . 2 . . A 19 C H3' . 17408 1 15 . 1 1 3 3 C H4' H 1 4.388 0.000 . . 1 . . A 19 C H4' . 17408 1 16 . 1 1 3 3 C H5 H 1 5.181 0.009 . . 16 . . A 19 C H5 . 17408 1 17 . 1 1 3 3 C H6 H 1 7.606 0.015 . . 22 . . A 19 C H6 . 17408 1 18 . 1 1 3 3 C H41 H 1 6.881 0.000 . . 1 . . A 19 C H41 . 17408 1 19 . 1 1 3 3 C H42 H 1 8.374 0.001 . . 3 . . A 19 C H42 . 17408 1 20 . 1 1 4 4 A H1' H 1 5.906 0.006 . . 17 . . A 20 A H1' . 17408 1 21 . 1 1 4 4 A H2 H 1 6.885 0.007 . . 22 . . A 20 A H2 . 17408 1 22 . 1 1 4 4 A H2' H 1 4.678 0.012 . . 5 . . A 20 A H2' . 17408 1 23 . 1 1 4 4 A H3' H 1 4.642 0.001 . . 3 . . A 20 A H3' . 17408 1 24 . 1 1 4 4 A H4' H 1 4.480 0.000 . . 1 . . A 20 A H4' . 17408 1 25 . 1 1 4 4 A H8 H 1 7.901 0.006 . . 14 . . A 20 A H8 . 17408 1 26 . 1 1 5 5 G H1 H 1 12.538 0.005 . . 13 . . A 21 G H1 . 17408 1 27 . 1 1 5 5 G H1' H 1 5.484 0.010 . . 30 . . A 21 G H1' . 17408 1 28 . 1 1 5 5 G H2' H 1 4.396 0.010 . . 4 . . A 21 G H2' . 17408 1 29 . 1 1 5 5 G H3' H 1 4.452 0.003 . . 3 . . A 21 G H3' . 17408 1 30 . 1 1 5 5 G H8 H 1 7.054 0.009 . . 19 . . A 21 G H8 . 17408 1 31 . 1 1 6 6 A H1' H 1 5.791 0.363 . . 21 . . A 22 A H1' . 17408 1 32 . 1 1 6 6 A H2 H 1 7.051 0.002 . . 10 . . A 22 A H2 . 17408 1 33 . 1 1 6 6 A H2' H 1 4.165 0.007 . . 5 . . A 22 A H2' . 17408 1 34 . 1 1 6 6 A H3' H 1 4.636 0.001 . . 2 . . A 22 A H3' . 17408 1 35 . 1 1 6 6 A H8 H 1 7.789 0.018 . . 29 . . A 22 A H8 . 17408 1 36 . 1 1 7 7 U H1' H 1 5.538 0.014 . . 9 . . A 23 U H1' . 17408 1 37 . 1 1 7 7 U H3 H 1 14.361 0.007 . . 4 . . A 23 U H3 . 17408 1 38 . 1 1 7 7 U H4' H 1 4.133 0.005 . . 3 . . A 23 U H4' . 17408 1 39 . 1 1 8 8 C H1' H 1 5.944 0.011 . . 5 . . A 24 C H1' . 17408 1 40 . 1 1 8 8 C H2' H 1 4.331 0.019 . . 3 . . A 24 C H2' . 17408 1 41 . 1 1 8 8 C H3' H 1 4.542 0.017 . . 3 . . A 24 C H3' . 17408 1 42 . 1 1 8 8 C H4' H 1 4.321 0.000 . . 1 . . A 24 C H4' . 17408 1 43 . 1 1 8 8 C H5 H 1 5.989 0.022 . . 10 . . A 24 C H5 . 17408 1 44 . 1 1 8 8 C H5' H 1 4.242 0.000 . . 1 . . A 24 C H5' . 17408 1 45 . 1 1 8 8 C H5'' H 1 4.108 0.000 . . 1 . . A 24 C H5'' . 17408 1 46 . 1 1 8 8 C H6 H 1 7.841 0.017 . . 12 . . A 24 C H6 . 17408 1 47 . 1 1 9 9 U H1' H 1 5.962 0.013 . . 5 . . A 25 U H1' . 17408 1 48 . 1 1 9 9 U H2' H 1 4.341 0.009 . . 4 . . A 25 U H2' . 17408 1 49 . 1 1 9 9 U H3' H 1 4.612 0.013 . . 3 . . A 25 U H3' . 17408 1 50 . 1 1 9 9 U H4' H 1 4.377 0.000 . . 1 . . A 25 U H4' . 17408 1 51 . 1 1 9 9 U H5 H 1 5.795 0.017 . . 6 . . A 25 U H5 . 17408 1 52 . 1 1 9 9 U H6 H 1 7.802 0.039 . . 11 . . A 25 U H6 . 17408 1 53 . 1 1 10 10 G H1 H 1 12.533 0.003 . . 3 . . A 26 G H1 . 17408 1 54 . 1 1 10 10 G H1' H 1 5.764 0.006 . . 18 . . A 26 G H1' . 17408 1 55 . 1 1 10 10 G H2' H 1 4.472 0.015 . . 2 . . A 26 G H2' . 17408 1 56 . 1 1 10 10 G H3' H 1 4.894 0.001 . . 4 . . A 26 G H3' . 17408 1 57 . 1 1 10 10 G H4' H 1 4.589 0.000 . . 1 . . A 26 G H4' . 17408 1 58 . 1 1 10 10 G H8 H 1 7.557 0.007 . . 17 . . A 26 G H8 . 17408 1 59 . 1 1 11 11 A H1' H 1 5.921 0.007 . . 16 . . A 27 A H1' . 17408 1 60 . 1 1 11 11 A H2 H 1 7.341 0.017 . . 21 . . A 27 A H2 . 17408 1 61 . 1 1 11 11 A H2' H 1 4.744 0.006 . . 2 . . A 27 A H2' . 17408 1 62 . 1 1 11 11 A H3' H 1 4.749 0.000 . . 1 . . A 27 A H3' . 17408 1 63 . 1 1 11 11 A H4' H 1 4.557 0.000 . . 1 . . A 27 A H4' . 17408 1 64 . 1 1 11 11 A H8 H 1 7.664 0.011 . . 15 . . A 27 A H8 . 17408 1 65 . 1 1 11 11 A H61 H 1 8.432 0.000 . . 1 . . A 27 A H61 . 17408 1 66 . 1 1 11 11 A H62 H 1 7.986 0.006 . . 4 . . A 27 A H62 . 17408 1 67 . 1 1 12 12 G H1 H 1 13.745 0.005 . . 18 . . A 28 G H1 . 17408 1 68 . 1 1 12 12 G H1' H 1 5.827 0.011 . . 25 . . A 28 G H1' . 17408 1 69 . 1 1 12 12 G H2' H 1 4.500 0.007 . . 5 . . A 28 G H2' . 17408 1 70 . 1 1 12 12 G H3' H 1 4.580 0.003 . . 3 . . A 28 G H3' . 17408 1 71 . 1 1 12 12 G H8 H 1 7.704 0.008 . . 5 . . A 28 G H8 . 17408 1 72 . 1 1 12 12 G H21 H 1 7.049 0.000 . . 1 . . A 28 G H21 . 17408 1 73 . 1 1 12 12 G H22 H 1 9.055 0.004 . . 3 . . A 28 G H22 . 17408 1 74 . 1 1 13 13 C H1' H 1 5.494 0.007 . . 17 . . A 29 C H1' . 17408 1 75 . 1 1 13 13 C H2' H 1 4.010 0.008 . . 13 . . A 29 C H2' . 17408 1 76 . 1 1 13 13 C H3' H 1 4.481 0.009 . . 2 . . A 29 C H3' . 17408 1 77 . 1 1 13 13 C H4' H 1 4.333 0.000 . . 1 . . A 29 C H4' . 17408 1 78 . 1 1 13 13 C H5 H 1 5.126 0.011 . . 15 . . A 29 C H5 . 17408 1 79 . 1 1 13 13 C H6 H 1 7.631 0.012 . . 22 . . A 29 C H6 . 17408 1 80 . 1 1 13 13 C H41 H 1 7.024 0.002 . . 2 . . A 29 C H41 . 17408 1 81 . 1 1 13 13 C H42 H 1 8.498 0.006 . . 7 . . A 29 C H42 . 17408 1 82 . 1 1 14 14 C H1' H 1 5.953 0.017 . . 15 . . A 30 C H1' . 17408 1 83 . 1 1 14 14 C H2' H 1 4.348 0.007 . . 3 . . A 30 C H2' . 17408 1 84 . 1 1 14 14 C H3' H 1 4.631 0.000 . . 1 . . A 30 C H3' . 17408 1 85 . 1 1 14 14 C H4' H 1 4.486 0.018 . . 2 . . A 30 C H4' . 17408 1 86 . 1 1 14 14 C H5 H 1 5.427 0.012 . . 8 . . A 30 C H5 . 17408 1 87 . 1 1 14 14 C H6 H 1 7.524 0.009 . . 27 . . A 30 C H6 . 17408 1 88 . 1 1 15 15 U H1' H 1 5.871 0.067 . . 5 . . A 31 U H1' . 17408 1 89 . 1 1 15 15 U H2' H 1 4.268 0.018 . . 3 . . A 31 U H2' . 17408 1 90 . 1 1 15 15 U H3' H 1 4.515 0.000 . . 1 . . A 31 U H3' . 17408 1 91 . 1 1 15 15 U H4' H 1 4.215 0.019 . . 2 . . A 31 U H4' . 17408 1 92 . 1 1 15 15 U H5 H 1 5.808 0.022 . . 6 . . A 31 U H5 . 17408 1 93 . 1 1 15 15 U H6 H 1 7.780 0.033 . . 9 . . A 31 U H6 . 17408 1 94 . 1 1 16 16 G H1' H 1 5.423 0.014 . . 14 . . A 32 G H1' . 17408 1 95 . 1 1 16 16 G H2' H 1 4.585 0.051 . . 4 . . A 32 G H2' . 17408 1 96 . 1 1 16 16 G H3' H 1 4.589 0.000 . . 1 . . A 32 G H3' . 17408 1 97 . 1 1 16 16 G H4' H 1 4.098 0.000 . . 1 . . A 32 G H4' . 17408 1 98 . 1 1 16 16 G H8 H 1 7.737 0.013 . . 12 . . A 32 G H8 . 17408 1 99 . 1 1 17 17 G H1' H 1 5.354 0.009 . . 16 . . A 33 G H1' . 17408 1 100 . 1 1 17 17 G H2' H 1 4.413 0.116 . . 6 . . A 33 G H2' . 17408 1 101 . 1 1 17 17 G H3' H 1 4.155 0.165 . . 6 . . A 33 G H3' . 17408 1 102 . 1 1 17 17 G H4' H 1 3.903 0.018 . . 2 . . A 33 G H4' . 17408 1 103 . 1 1 17 17 G H8 H 1 7.574 0.011 . . 10 . . A 33 G H8 . 17408 1 104 . 1 1 18 18 G H1' H 1 5.658 0.011 . . 23 . . A 34 G H1' . 17408 1 105 . 1 1 18 18 G H2' H 1 4.948 0.025 . . 12 . . A 34 G H2' . 17408 1 106 . 1 1 18 18 G H3' H 1 4.308 0.092 . . 3 . . A 34 G H3' . 17408 1 107 . 1 1 18 18 G H4' H 1 4.369 0.028 . . 4 . . A 34 G H4' . 17408 1 108 . 1 1 18 18 G H8 H 1 7.730 0.010 . . 17 . . A 34 G H8 . 17408 1 109 . 1 1 19 19 A H1' H 1 5.951 0.008 . . 16 . . A 35 A H1' . 17408 1 110 . 1 1 19 19 A H2 H 1 7.478 0.000 . . 2 . . A 35 A H2 . 17408 1 111 . 1 1 19 19 A H2' H 1 4.708 0.000 . . 2 . . A 35 A H2' . 17408 1 112 . 1 1 20 20 G H1 H 1 13.203 0.014 . . 9 . . A 36 G H1 . 17408 1 113 . 1 1 20 20 G H1' H 1 5.540 0.008 . . 18 . . A 36 G H1' . 17408 1 114 . 1 1 20 20 G H2' H 1 4.511 0.003 . . 5 . . A 36 G H2' . 17408 1 115 . 1 1 20 20 G H3' H 1 4.697 0.003 . . 3 . . A 36 G H3' . 17408 1 116 . 1 1 20 20 G H8 H 1 7.378 0.017 . . 21 . . A 36 G H8 . 17408 1 117 . 1 1 21 21 C H1' H 1 5.558 0.010 . . 16 . . A 37 C H1' . 17408 1 118 . 1 1 21 21 C H2' H 1 4.439 0.006 . . 8 . . A 37 C H2' . 17408 1 119 . 1 1 21 21 C H5 H 1 5.284 0.009 . . 22 . . A 37 C H5 . 17408 1 120 . 1 1 21 21 C H6 H 1 7.964 0.010 . . 20 . . A 37 C H6 . 17408 1 121 . 1 1 21 21 C H41 H 1 7.056 0.009 . . 3 . . A 37 C H41 . 17408 1 122 . 1 1 21 21 C H42 H 1 9.057 0.007 . . 6 . . A 37 C H42 . 17408 1 123 . 1 1 22 22 U H1' H 1 5.630 0.009 . . 10 . . A 38 U H1' . 17408 1 124 . 1 1 22 22 U H2' H 1 4.718 0.005 . . 2 . . A 38 U H2' . 17408 1 125 . 1 1 22 22 U H3 H 1 14.502 0.005 . . 21 . . A 38 U H3 . 17408 1 126 . 1 1 22 22 U H3' H 1 4.487 0.001 . . 3 . . A 38 U H3' . 17408 1 127 . 1 1 22 22 U H4' H 1 4.380 0.000 . . 1 . . A 38 U H4' . 17408 1 128 . 1 1 22 22 U H5 H 1 5.525 0.010 . . 11 . . A 38 U H5 . 17408 1 129 . 1 1 22 22 U H6 H 1 7.929 0.007 . . 15 . . A 38 U H6 . 17408 1 130 . 1 1 23 23 C H1' H 1 5.194 0.031 . . 20 . . A 39 C H1' . 17408 1 131 . 1 1 23 23 C H2' H 1 4.441 0.002 . . 2 . . A 39 C H2' . 17408 1 132 . 1 1 23 23 C H5 H 1 5.524 0.011 . . 10 . . A 39 C H5 . 17408 1 133 . 1 1 23 23 C H6 H 1 7.463 0.011 . . 18 . . A 39 C H6 . 17408 1 134 . 1 1 23 23 C H41 H 1 7.290 0.006 . . 3 . . A 39 C H41 . 17408 1 135 . 1 1 23 23 C H42 H 1 8.414 0.001 . . 2 . . A 39 C H42 . 17408 1 136 . 1 1 24 24 U H1' H 1 5.421 0.003 . . 4 . . A 40 U H1' . 17408 1 137 . 1 1 24 24 U H2' H 1 4.309 0.006 . . 4 . . A 40 U H2' . 17408 1 138 . 1 1 24 24 U H3' H 1 4.448 0.000 . . 2 . . A 40 U H3' . 17408 1 139 . 1 1 24 24 U H5 H 1 5.425 0.008 . . 13 . . A 40 U H5 . 17408 1 140 . 1 1 24 24 U H6 H 1 7.962 0.008 . . 12 . . A 40 U H6 . 17408 1 141 . 1 1 25 25 C H1' H 1 5.419 0.002 . . 20 . . A 41 C H1' . 17408 1 142 . 1 1 25 25 C H2' H 1 4.175 0.024 . . 5 . . A 41 C H2' . 17408 1 143 . 1 1 25 25 C H3' H 1 4.483 0.000 . . 1 . . A 41 C H3' . 17408 1 144 . 1 1 25 25 C H5 H 1 5.637 0.008 . . 21 . . A 41 C H5 . 17408 1 145 . 1 1 25 25 C H6 H 1 7.882 0.012 . . 21 . . A 41 C H6 . 17408 1 146 . 1 1 25 25 C H41 H 1 7.085 0.017 . . 7 . . A 41 C H41 . 17408 1 147 . 1 1 25 25 C H42 H 1 8.355 0.008 . . 8 . . A 41 C H42 . 17408 1 148 . 1 1 26 26 U H1' H 1 5.407 0.007 . . 10 . . A 42 U H1' . 17408 1 149 . 1 1 26 26 U H2' H 1 4.519 0.007 . . 4 . . A 42 U H2' . 17408 1 150 . 1 1 26 26 U H3 H 1 13.378 0.010 . . 12 . . A 42 U H3 . 17408 1 151 . 1 1 26 26 U H3' H 1 4.566 0.011 . . 2 . . A 42 U H3' . 17408 1 152 . 1 1 26 26 U H4' H 1 4.381 0.000 . . 1 . . A 42 U H4' . 17408 1 153 . 1 1 26 26 U H5 H 1 5.288 0.007 . . 14 . . A 42 U H5 . 17408 1 154 . 1 1 26 26 U H6 H 1 7.822 0.011 . . 15 . . A 42 U H6 . 17408 1 155 . 1 1 27 27 G H1 H 1 12.441 0.008 . . 14 . . A 43 G H1 . 17408 1 156 . 1 1 27 27 G H1' H 1 5.733 0.006 . . 33 . . A 43 G H1' . 17408 1 157 . 1 1 27 27 G H2' H 1 4.425 0.008 . . 13 . . A 43 G H2' . 17408 1 158 . 1 1 27 27 G H3' H 1 4.594 0.003 . . 3 . . A 43 G H3' . 17408 1 159 . 1 1 27 27 G H4' H 1 4.474 0.000 . . 1 . . A 43 G H4' . 17408 1 160 . 1 1 27 27 G H8 H 1 7.731 0.005 . . 20 . . A 43 G H8 . 17408 1 161 . 1 1 27 27 G H22 H 1 8.374 0.009 . . 4 . . A 43 G H22 . 17408 1 162 . 1 1 28 28 C H1' H 1 5.436 0.006 . . 19 . . A 44 C H1' . 17408 1 163 . 1 1 28 28 C H2' H 1 4.158 0.013 . . 5 . . A 44 C H2' . 17408 1 164 . 1 1 28 28 C H3' H 1 4.434 0.000 . . 1 . . A 44 C H3' . 17408 1 165 . 1 1 28 28 C H4' H 1 4.348 0.002 . . 2 . . A 44 C H4' . 17408 1 166 . 1 1 28 28 C H5 H 1 5.153 0.006 . . 28 . . A 44 C H5 . 17408 1 167 . 1 1 28 28 C H6 H 1 7.671 0.006 . . 33 . . A 44 C H6 . 17408 1 168 . 1 1 28 28 C H41 H 1 6.860 0.002 . . 4 . . A 44 C H41 . 17408 1 169 . 1 1 28 28 C H42 H 1 8.486 0.006 . . 5 . . A 44 C H42 . 17408 1 170 . 1 1 29 29 C H1' H 1 5.671 0.014 . . 16 . . A 45 C H1' . 17408 1 171 . 1 1 29 29 C H2' H 1 3.981 0.023 . . 10 . . A 45 C H2' . 17408 1 172 . 1 1 29 29 C H3' H 1 4.200 0.000 . . 2 . . A 45 C H3' . 17408 1 173 . 1 1 29 29 C H4' H 1 4.117 0.021 . . 2 . . A 45 C H4' . 17408 1 174 . 1 1 29 29 C H5 H 1 5.412 0.011 . . 16 . . A 45 C H5 . 17408 1 175 . 1 1 29 29 C H6 H 1 7.611 0.005 . . 20 . . A 45 C H6 . 17408 1 176 . 1 1 29 29 C H41 H 1 6.907 0.015 . . 2 . . A 45 C H41 . 17408 1 177 . 1 1 29 29 C H42 H 1 8.262 0.004 . . 3 . . A 45 C H42 . 17408 1 stop_ save_