################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52792 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 't44 VEGF aptamer in VEGF HBD bound form' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.023 _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 '2D 1H-1H NOESY' . . . 52792 1 2 '2D 1H-1H TOCSY' . . . 52792 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52792 1 2 $software_2 . . 52792 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 CFZ H5 H 1 5.792 0.023 . 1 . . . . . 1 CFZ H5 . 52792 1 2 . 1 . 1 1 1 CFZ H6 H 1 7.743 0.023 . 1 . . . . . 1 CFZ H6 . 52792 1 3 . 1 . 1 1 1 CFZ H1' H 1 5.66 0.023 . 1 . . . . . 1 CFZ H1' . 52792 1 4 . 1 . 1 1 1 CFZ H2' H 1 5.365 0.023 . 1 . . . . . 1 CFZ H2' . 52792 1 5 . 1 . 1 1 1 CFZ H3' H 1 4.272 0.023 . 1 . . . . . 1 CFZ H3' . 52792 1 6 . 1 . 1 2 2 OMG H8 H 1 7.497 0.023 . 1 . . . . . 2 OMG H8 . 52792 1 7 . 1 . 1 2 2 OMG H1' H 1 6.086 0.023 . 1 . . . . . 2 OMG H1' . 52792 1 8 . 1 . 1 2 2 OMG H3' H 1 4.086 0.023 . 1 . . . . . 2 OMG H3' . 52792 1 9 . 1 . 1 2 2 OMG HM21 H 1 3.916 0.023 . 1 . . . . . 2 OMG HM21 . 52792 1 10 . 1 . 1 2 2 OMG HM22 H 1 3.916 0.023 . 1 . . . . . 2 OMG HM22 . 52792 1 11 . 1 . 1 2 2 OMG HM23 H 1 3.916 0.023 . 1 . . . . . 2 OMG HM23 . 52792 1 12 . 1 . 1 2 2 OMG HN1 H 1 12.17 0.023 . 1 . . . . . 2 OMG HN1 . 52792 1 13 . 1 . 1 3 3 OMG H8 H 1 7.37 0.023 . 1 . . . . . 3 OMG H8 . 52792 1 14 . 1 . 1 3 3 OMG H1' H 1 5.907 0.023 . 1 . . . . . 3 OMG H1' . 52792 1 15 . 1 . 1 3 3 OMG H2' H 1 4.766 0.023 . 1 . . . . . 3 OMG H2' . 52792 1 16 . 1 . 1 3 3 OMG H5' H 1 3.867 0.023 . 1 . . . . . 3 OMG H5' . 52792 1 17 . 1 . 1 3 3 OMG H5'' H 1 3.867 0.023 . 1 . . . . . 3 OMG H5'' . 52792 1 18 . 1 . 1 3 3 OMG HM21 H 1 3.591 0.023 . 1 . . . . . 3 OMG HM21 . 52792 1 19 . 1 . 1 3 3 OMG HM22 H 1 3.591 0.023 . 1 . . . . . 3 OMG HM22 . 52792 1 20 . 1 . 1 3 3 OMG HM23 H 1 3.591 0.023 . 1 . . . . . 3 OMG HM23 . 52792 1 21 . 1 . 1 3 3 OMG HN1 H 1 12.55 0.023 . 1 . . . . . 3 OMG HN1 . 52792 1 22 . 1 . 1 4 4 A H2 H 1 7.742 0.023 . 1 . . . . . 4 A H2 . 52792 1 23 . 1 . 1 4 4 A H8 H 1 7.926 0.023 . 1 . . . . . 4 A H8 . 52792 1 24 . 1 . 1 4 4 A H1' H 1 6.079 0.023 . 1 . . . . . 4 A H1' . 52792 1 25 . 1 . 1 5 5 A H8 H 1 7.837 0.023 . 1 . . . . . 5 A H8 . 52792 1 26 . 1 . 1 5 5 A H1' H 1 5.865 0.023 . 1 . . . . . 5 A H1' . 52792 1 27 . 1 . 1 5 5 A H3' H 1 4.365 0.023 . 1 . . . . . 5 A H3' . 52792 1 28 . 1 . 1 6 6 UFT H5 H 1 5.159 0.023 . 1 . . . . . 6 UFT H5 . 52792 1 29 . 1 . 1 6 6 UFT H6 H 1 8.897 0.023 . 1 . . . . . 6 UFT H6 . 52792 1 30 . 1 . 1 6 6 UFT H1' H 1 6.086 0.023 . 1 . . . . . 6 UFT H1' . 52792 1 31 . 1 . 1 6 6 UFT H2' H 1 5.234 0.023 . 1 . . . . . 6 UFT H2' . 52792 1 32 . 1 . 1 6 6 UFT H3' H 1 5.144 0.023 . 1 . . . . . 6 UFT H3' . 52792 1 33 . 1 . 1 6 6 UFT H5' H 1 4.511 0.023 . 2 . . . . . 6 UFT H5' . 52792 1 34 . 1 . 1 6 6 UFT H5'A H 1 4.41 0.023 . 2 . . . . . 6 UFT H5'A . 52792 1 35 . 1 . 1 6 6 UFT HN3 H 1 14.68 0.023 . 1 . . . . . 6 UFT HN3 . 52792 1 36 . 1 . 1 7 7 CFZ H5 H 1 6.267 0.023 . 1 . . . . . 7 CFZ H5 . 52792 1 37 . 1 . 1 7 7 CFZ H6 H 1 7.932 0.023 . 1 . . . . . 7 CFZ H6 . 52792 1 38 . 1 . 1 7 7 CFZ H1' H 1 6.900 0.023 . 1 . . . . . 7 CFZ H1' . 52792 1 39 . 1 . 1 7 7 CFZ H2' H 1 5.574 0.023 . 1 . . . . . 7 CFZ H2' . 52792 1 40 . 1 . 1 7 7 CFZ H4' H 1 4.031 0.023 . 1 . . . . . 7 CFZ H4' . 52792 1 41 . 1 . 1 8 8 A39 H2 H 1 7.37 0.023 . 1 . . . . . 8 A39 H2 . 52792 1 42 . 1 . 1 8 8 A39 H8 H 1 7.951 0.023 . 1 . . . . . 8 A39 H8 . 52792 1 43 . 1 . 1 8 8 A39 H1' H 1 6.174 0.023 . 1 . . . . . 8 A39 H1' . 52792 1 44 . 1 . 1 8 8 A39 H3' H 1 4.602 0.023 . 1 . . . . . 8 A39 H3' . 52792 1 45 . 1 . 1 8 8 A39 H5'1 H 1 4.158 0.023 . 2 . . . . . 8 A39 H5'1 . 52792 1 46 . 1 . 1 8 8 A39 H5'2 H 1 4.289 0.023 . 2 . . . . . 8 A39 H5'2 . 52792 1 47 . 1 . 1 8 8 A39 HH31 H 1 3.75 0.023 . 1 . . . . . 8 A39 HH31 . 52792 1 48 . 1 . 1 8 8 A39 HH32 H 1 3.75 0.023 . 1 . . . . . 8 A39 HH32 . 52792 1 49 . 1 . 1 8 8 A39 HH33 H 1 3.75 0.023 . 1 . . . . . 8 A39 HH33 . 52792 1 50 . 1 . 1 9 9 OMG H8 H 1 6.784 0.023 . 1 . . . . . 9 OMG H8 . 52792 1 51 . 1 . 1 9 9 OMG H1' H 1 5.864 0.023 . 1 . . . . . 9 OMG H1' . 52792 1 52 . 1 . 1 9 9 OMG H2' H 1 5.476 0.023 . 1 . . . . . 9 OMG H2' . 52792 1 53 . 1 . 1 9 9 OMG H3' H 1 4.236 0.023 . 1 . . . . . 9 OMG H3' . 52792 1 54 . 1 . 1 9 9 OMG H4' H 1 3.947 0.023 . 1 . . . . . 9 OMG H4' . 52792 1 55 . 1 . 1 9 9 OMG H5' H 1 3.869 0.023 . 1 . . . . . 9 OMG H5' . 52792 1 56 . 1 . 1 9 9 OMG H5'' H 1 3.869 0.023 . 1 . . . . . 9 OMG H5'' . 52792 1 57 . 1 . 1 9 9 OMG HM21 H 1 3.611 0.023 . 1 . . . . . 9 OMG HM21 . 52792 1 58 . 1 . 1 9 9 OMG HM22 H 1 3.611 0.023 . 1 . . . . . 9 OMG HM22 . 52792 1 59 . 1 . 1 9 9 OMG HM23 H 1 3.611 0.023 . 1 . . . . . 9 OMG HM23 . 52792 1 60 . 1 . 1 9 9 OMG HN1 H 1 13.26 0.023 . 1 . . . . . 9 OMG HN1 . 52792 1 61 . 1 . 1 10 10 UFT H5 H 1 5.483 0.023 . 1 . . . . . 10 UFT H5 . 52792 1 62 . 1 . 1 10 10 UFT H6 H 1 6.529 0.023 . 1 . . . . . 10 UFT H6 . 52792 1 63 . 1 . 1 10 10 UFT H1' H 1 5.843 0.023 . 1 . . . . . 10 UFT H1' . 52792 1 64 . 1 . 1 10 10 UFT H2' H 1 4.7605 0.023 . 1 . . . . . 10 UFT H2' . 52792 1 65 . 1 . 1 10 10 UFT H3' H 1 3.917 0.023 . 1 . . . . . 10 UFT H3' . 52792 1 66 . 1 . 1 10 10 UFT H4' H 1 4.101 0.023 . 1 . . . . . 10 UFT H4' . 52792 1 67 . 1 . 1 10 10 UFT HN3 H 1 12.56 0.023 . 1 . . . . . 10 UFT HN3 . 52792 1 68 . 1 . 1 11 11 OMG H8 H 1 8.238 0.023 . 1 . . . . . 11 OMG H8 . 52792 1 69 . 1 . 1 11 11 OMG H1' H 1 5.811 0.023 . 1 . . . . . 11 OMG H1' . 52792 1 70 . 1 . 1 11 11 OMG H2' H 1 4.965 0.023 . 1 . . . . . 11 OMG H2' . 52792 1 71 . 1 . 1 11 11 OMG H3' H 1 4.77 0.023 . 1 . . . . . 11 OMG H3' . 52792 1 72 . 1 . 1 11 11 OMG H4' H 1 4.802 0.023 . 1 . . . . . 11 OMG H4' . 52792 1 73 . 1 . 1 11 11 OMG H5' H 1 4.068 0.023 . 1 . . . . . 11 OMG H5' . 52792 1 74 . 1 . 1 11 11 OMG H5'' H 1 4.068 0.023 . 1 . . . . . 11 OMG H5'' . 52792 1 75 . 1 . 1 11 11 OMG HM21 H 1 3.38 0.023 . 1 . . . . . 11 OMG HM21 . 52792 1 76 . 1 . 1 11 11 OMG HM22 H 1 3.38 0.023 . 1 . . . . . 11 OMG HM22 . 52792 1 77 . 1 . 1 11 11 OMG HM23 H 1 3.38 0.023 . 1 . . . . . 11 OMG HM23 . 52792 1 78 . 1 . 1 12 12 A39 H8 H 1 8.332 0.023 . 1 . . . . . 12 A39 H8 . 52792 1 79 . 1 . 1 12 12 A39 H1' H 1 5.614 0.023 . 1 . . . . . 12 A39 H1' . 52792 1 80 . 1 . 1 12 12 A39 H2' H 1 5.43 0.023 . 1 . . . . . 12 A39 H2' . 52792 1 81 . 1 . 1 12 12 A39 H3' H 1 4.682 0.023 . 1 . . . . . 12 A39 H3' . 52792 1 82 . 1 . 1 12 12 A39 H4' H 1 4.297 0.023 . 1 . . . . . 12 A39 H4' . 52792 1 83 . 1 . 1 12 12 A39 H5'1 H 1 3.725 0.023 . 2 . . . . . 12 A39 H5'1 . 52792 1 84 . 1 . 1 12 12 A39 H5'2 H 1 3.844 0.023 . 2 . . . . . 12 A39 H5'2 . 52792 1 85 . 1 . 1 12 12 A39 HH31 H 1 3.08 0.023 . 1 . . . . . 12 A39 HH31 . 52792 1 86 . 1 . 1 12 12 A39 HH32 H 1 3.08 0.023 . 1 . . . . . 12 A39 HH32 . 52792 1 87 . 1 . 1 12 12 A39 HH33 H 1 3.08 0.023 . 1 . . . . . 12 A39 HH33 . 52792 1 88 . 1 . 1 13 13 A39 H2 H 1 6.851 0.023 . 1 . . . . . 13 A39 H2 . 52792 1 89 . 1 . 1 13 13 A39 H8 H 1 8.197 0.023 . 1 . . . . . 13 A39 H8 . 52792 1 90 . 1 . 1 13 13 A39 H1' H 1 6.125 0.023 . 1 . . . . . 13 A39 H1' . 52792 1 91 . 1 . 1 13 13 A39 H2' H 1 5.131 0.023 . 1 . . . . . 13 A39 H2' . 52792 1 92 . 1 . 1 13 13 A39 H3' H 1 4.919 0.023 . 1 . . . . . 13 A39 H3' . 52792 1 93 . 1 . 1 13 13 A39 H5'1 H 1 3.764 0.023 . 1 . . . . . 13 A39 H5'1 . 52792 1 94 . 1 . 1 13 13 A39 H5'2 H 1 3.764 0.023 . 1 . . . . . 13 A39 H5'2 . 52792 1 95 . 1 . 1 13 13 A39 HH31 H 1 3.629 0.023 . 1 . . . . . 13 A39 HH31 . 52792 1 96 . 1 . 1 13 13 A39 HH32 H 1 3.629 0.023 . 1 . . . . . 13 A39 HH32 . 52792 1 97 . 1 . 1 13 13 A39 HH33 H 1 3.629 0.023 . 1 . . . . . 13 A39 HH33 . 52792 1 98 . 1 . 1 14 14 UFT H5 H 1 5.782 0.023 . 1 . . . . . 14 UFT H5 . 52792 1 99 . 1 . 1 14 14 UFT H6 H 1 8.443 0.023 . 1 . . . . . 14 UFT H6 . 52792 1 100 . 1 . 1 14 14 UFT H1' H 1 5.33 0.023 . 1 . . . . . 14 UFT H1' . 52792 1 101 . 1 . 1 14 14 UFT H2' H 1 5.801 0.023 . 1 . . . . . 14 UFT H2' . 52792 1 102 . 1 . 1 15 15 OMG H8 H 1 7.772 0.023 . 1 . . . . . 15 OMG H8 . 52792 1 103 . 1 . 1 15 15 OMG H1' H 1 5.907 0.023 . 1 . . . . . 15 OMG H1' . 52792 1 104 . 1 . 1 15 15 OMG H2' H 1 5.89 0.023 . 1 . . . . . 15 OMG H2' . 52792 1 105 . 1 . 1 15 15 OMG H3' H 1 5.416 0.023 . 1 . . . . . 15 OMG H3' . 52792 1 106 . 1 . 1 15 15 OMG HM21 H 1 3.631 0.023 . 1 . . . . . 15 OMG HM21 . 52792 1 107 . 1 . 1 15 15 OMG HM22 H 1 3.631 0.023 . 1 . . . . . 15 OMG HM22 . 52792 1 108 . 1 . 1 15 15 OMG HM23 H 1 3.631 0.023 . 1 . . . . . 15 OMG HM23 . 52792 1 109 . 1 . 1 15 15 OMG HN1 H 1 10.84 0.023 . 1 . . . . . 15 OMG HN1 . 52792 1 110 . 1 . 1 16 16 CFZ H5 H 1 5.216 0.023 . 1 . . . . . 16 CFZ H5 . 52792 1 111 . 1 . 1 16 16 CFZ H6 H 1 7.854 0.023 . 1 . . . . . 16 CFZ H6 . 52792 1 112 . 1 . 1 16 16 CFZ H1' H 1 5.353 0.023 . 1 . . . . . 16 CFZ H1' . 52792 1 113 . 1 . 1 16 16 CFZ H2' H 1 5.180 0.023 . 1 . . . . . 16 CFZ H2' . 52792 1 114 . 1 . 1 16 16 CFZ H3' H 1 4.733 0.023 . 1 . . . . . 16 CFZ H3' . 52792 1 115 . 1 . 1 16 16 CFZ H4' H 1 4.395 0.023 . 1 . . . . . 16 CFZ H4' . 52792 1 116 . 1 . 1 16 16 CFZ H5' H 1 4.078 0.023 . 1 . . . . . 16 CFZ H5' . 52792 1 117 . 1 . 1 16 16 CFZ H5'A H 1 4.078 0.023 . 1 . . . . . 16 CFZ H5'A . 52792 1 118 . 1 . 1 17 17 UFT H5 H 1 5.358 0.023 . 1 . . . . . 17 UFT H5 . 52792 1 119 . 1 . 1 17 17 UFT H6 H 1 7.649 0.023 . 1 . . . . . 17 UFT H6 . 52792 1 120 . 1 . 1 17 17 UFT H1' H 1 5.743 0.023 . 1 . . . . . 17 UFT H1' . 52792 1 121 . 1 . 1 17 17 UFT H2' H 1 5.479 0.023 . 1 . . . . . 17 UFT H2' . 52792 1 122 . 1 . 1 17 17 UFT HN3 H 1 14.2 0.023 . 1 . . . . . 17 UFT HN3 . 52792 1 123 . 1 . 1 18 18 UFT H5 H 1 5.904 0.023 . 1 . . . . . 18 UFT H5 . 52792 1 124 . 1 . 1 18 18 UFT H6 H 1 7.974 0.023 . 1 . . . . . 18 UFT H6 . 52792 1 125 . 1 . 1 18 18 UFT H1' H 1 6.115 0.023 . 1 . . . . . 18 UFT H1' . 52792 1 126 . 1 . 1 18 18 UFT H2' H 1 5.824 0.023 . 1 . . . . . 18 UFT H2' . 52792 1 127 . 1 . 1 18 18 UFT H3' H 1 5.398 0.023 . 1 . . . . . 18 UFT H3' . 52792 1 128 . 1 . 1 18 18 UFT H5' H 1 4.019 0.023 . 2 . . . . . 18 UFT H5' . 52792 1 129 . 1 . 1 18 18 UFT H5'A H 1 3.86 0.023 . 2 . . . . . 18 UFT H5'A . 52792 1 130 . 1 . 1 18 18 UFT HN3 H 1 13.26 0.023 . 1 . . . . . 18 UFT HN3 . 52792 1 131 . 1 . 1 19 19 A39 H2 H 1 7.954 0.023 . 1 . . . . . 19 A39 H2 . 52792 1 132 . 1 . 1 19 19 A39 H8 H 1 8.131 0.023 . 1 . . . . . 19 A39 H8 . 52792 1 133 . 1 . 1 19 19 A39 H1' H 1 6.139 0.023 . 1 . . . . . 19 A39 H1' . 52792 1 134 . 1 . 1 19 19 A39 H2' H 1 5.661 0.023 . 1 . . . . . 19 A39 H2' . 52792 1 135 . 1 . 1 19 19 A39 H3' H 1 4.471 0.023 . 1 . . . . . 19 A39 H3' . 52792 1 136 . 1 . 1 19 19 A39 H4' H 1 4.143 0.023 . 1 . . . . . 19 A39 H4' . 52792 1 137 . 1 . 1 19 19 A39 HH31 H 1 3.707 0.023 . 1 . . . . . 19 A39 HH31 . 52792 1 138 . 1 . 1 19 19 A39 HH32 H 1 3.707 0.023 . 1 . . . . . 19 A39 HH32 . 52792 1 139 . 1 . 1 19 19 A39 HH33 H 1 3.707 0.023 . 1 . . . . . 19 A39 HH33 . 52792 1 140 . 1 . 1 20 20 UFT H5 H 1 4.894 0.023 . 1 . . . . . 20 UFT H5 . 52792 1 141 . 1 . 1 20 20 UFT H6 H 1 7.183 0.023 . 1 . . . . . 20 UFT H6 . 52792 1 142 . 1 . 1 20 20 UFT H1' H 1 6.427 0.023 . 1 . . . . . 20 UFT H1' . 52792 1 143 . 1 . 1 20 20 UFT H3' H 1 4.408 0.023 . 1 . . . . . 20 UFT H3' . 52792 1 144 . 1 . 1 21 21 A39 H8 H 1 7.955 0.023 . 1 . . . . . 21 A39 H8 . 52792 1 145 . 1 . 1 21 21 A39 H1' H 1 6.306 0.023 . 1 . . . . . 21 A39 H1' . 52792 1 146 . 1 . 1 21 21 A39 H2' H 1 6.269 0.023 . 1 . . . . . 21 A39 H2' . 52792 1 147 . 1 . 1 21 21 A39 H3' H 1 5.824 0.023 . 1 . . . . . 21 A39 H3' . 52792 1 148 . 1 . 1 21 21 A39 HH31 H 1 3.564 0.023 . 1 . . . . . 21 A39 HH31 . 52792 1 149 . 1 . 1 21 21 A39 HH32 H 1 3.564 0.023 . 1 . . . . . 21 A39 HH32 . 52792 1 150 . 1 . 1 21 21 A39 HH33 H 1 3.564 0.023 . 1 . . . . . 21 A39 HH33 . 52792 1 151 . 1 . 1 22 22 CFZ H5 H 1 4.881 0.023 . 1 . . . . . 22 CFZ H5 . 52792 1 152 . 1 . 1 22 22 CFZ H6 H 1 7.164 0.023 . 1 . . . . . 22 CFZ H6 . 52792 1 153 . 1 . 1 22 22 CFZ H1' H 1 6.362 0.023 . 1 . . . . . 22 CFZ H1' . 52792 1 154 . 1 . 1 22 22 CFZ H2' H 1 5.429 0.023 . 1 . . . . . 22 CFZ H2' . 52792 1 155 . 1 . 1 23 23 A39 H8 H 1 7.932 0.023 . 1 . . . . . 23 A39 H8 . 52792 1 156 . 1 . 1 23 23 A39 H1' H 1 6.142 0.023 . 1 . . . . . 23 A39 H1' . 52792 1 157 . 1 . 1 23 23 A39 HH31 H 1 3.784 0.023 . 1 . . . . . 23 A39 HH31 . 52792 1 158 . 1 . 1 23 23 A39 HH32 H 1 3.784 0.023 . 1 . . . . . 23 A39 HH32 . 52792 1 159 . 1 . 1 23 23 A39 HH33 H 1 3.784 0.023 . 1 . . . . . 23 A39 HH33 . 52792 1 160 . 1 . 1 24 24 UFT H5 H 1 5.29 0.023 . 1 . . . . . 24 UFT H5 . 52792 1 161 . 1 . 1 24 24 UFT H6 H 1 7.075 0.023 . 1 . . . . . 24 UFT H6 . 52792 1 162 . 1 . 1 24 24 UFT H2' H 1 5.658 0.023 . 1 . . . . . 24 UFT H2' . 52792 1 163 . 1 . 1 24 24 UFT H3' H 1 5.0685 0.023 . 1 . . . . . 24 UFT H3' . 52792 1 164 . 1 . 1 24 24 UFT H4' H 1 4.346 0.023 . 1 . . . . . 24 UFT H4' . 52792 1 165 . 1 . 1 24 24 UFT H5' H 1 4.154 0.023 . 2 . . . . . 24 UFT H5' . 52792 1 166 . 1 . 1 24 24 UFT H5'A H 1 4.02 0.023 . 2 . . . . . 24 UFT H5'A . 52792 1 167 . 1 . 1 24 24 UFT HN3 H 1 13.76 0.023 . 1 . . . . . 24 UFT HN3 . 52792 1 168 . 1 . 1 25 25 CFZ H5 H 1 5.654 0.023 . 1 . . . . . 25 CFZ H5 . 52792 1 169 . 1 . 1 25 25 CFZ H6 H 1 7.741 0.023 . 1 . . . . . 25 CFZ H6 . 52792 1 170 . 1 . 1 25 25 CFZ H1' H 1 6.951 0.023 . 1 . . . . . 25 CFZ H1' . 52792 1 171 . 1 . 1 25 25 CFZ H2' H 1 5.701 0.023 . 1 . . . . . 25 CFZ H2' . 52792 1 172 . 1 . 1 25 25 CFZ H3' H 1 4.878 0.023 . 1 . . . . . 25 CFZ H3' . 52792 1 173 . 1 . 1 26 26 CFZ H5 H 1 5.549 0.023 . 1 . . . . . 26 CFZ H5 . 52792 1 174 . 1 . 1 26 26 CFZ H6 H 1 7.496 0.023 . 1 . . . . . 26 CFZ H6 . 52792 1 175 . 1 . 1 26 26 CFZ H1' H 1 6.525 0.023 . 1 . . . . . 26 CFZ H1' . 52792 1 176 . 1 . 1 26 26 CFZ H2' H 1 5.406 0.023 . 1 . . . . . 26 CFZ H2' . 52792 1 177 . 1 . 1 26 26 CFZ H3' H 1 4.666 0.023 . 1 . . . . . 26 CFZ H3' . 52792 1 178 . 1 . 1 26 26 CFZ H4' H 1 4.426 0.023 . 1 . . . . . 26 CFZ H4' . 52792 1 179 . 1 . 1 26 26 CFZ H5' H 1 4.081 0.023 . 2 . . . . . 26 CFZ H5' . 52792 1 180 . 1 . 1 26 26 CFZ H5'A H 1 4.273 0.023 . 2 . . . . . 26 CFZ H5'A . 52792 1 181 . 1 . 1 27 27 OMG H8 H 1 7.459 0.023 . 1 . . . . . 27 OMG H8 . 52792 1 182 . 1 . 1 27 27 OMG H1' H 1 5.799 0.023 . 1 . . . . . 27 OMG H1' . 52792 1 183 . 1 . 1 27 27 OMG H3' H 1 4.405 0.023 . 1 . . . . . 27 OMG H3' . 52792 1 184 . 1 . 1 27 27 OMG H4' H 1 3.931 0.023 . 1 . . . . . 27 OMG H4' . 52792 1 185 . 1 . 1 27 27 OMG H5' H 1 3.647 0.023 . 2 . . . . . 27 OMG H5' . 52792 1 186 . 1 . 1 27 27 OMG H5'' H 1 3.498 0.023 . 2 . . . . . 27 OMG H5'' . 52792 1 187 . 1 . 1 27 27 OMG HM21 H 1 3.464 0.023 . 1 . . . . . 27 OMG HM21 . 52792 1 188 . 1 . 1 27 27 OMG HM22 H 1 3.464 0.023 . 1 . . . . . 27 OMG HM22 . 52792 1 189 . 1 . 1 27 27 OMG HM23 H 1 3.464 0.023 . 1 . . . . . 27 OMG HM23 . 52792 1 190 . 1 . 1 27 27 OMG HN1 H 1 13.26 0.023 . 1 . . . . . 27 OMG HN1 . 52792 1 191 . 1 . 1 28 28 HTM HN3 H 1 7.405 0.023 . 1 . . . . . 28 HTM HN3 . 52792 1 192 . 1 . 1 28 28 HTM HM51 H 1 1.602 0.023 . 1 . . . . . 28 HTM HM51 . 52792 1 193 . 1 . 1 28 28 HTM HM51 H 1 1.602 0.023 . 1 . . . . . 28 HTM HM51 . 52792 1 194 . 1 . 1 28 28 HTM HM51 H 1 1.602 0.023 . 1 . . . . . 28 HTM HM51 . 52792 1 195 . 1 . 1 28 28 HTM H1' H 1 5.891 0.023 . 1 . . . . . 28 HTM H1' . 52792 1 196 . 1 . 1 28 28 HTM H2'1 H 1 2.043 0.023 . 2 . . . . . 28 HTM H2'1 . 52792 1 197 . 1 . 1 28 28 HTM H2'2 H 1 2.355 0.023 . 2 . . . . . 28 HTM H2'2 . 52792 1 198 . 1 . 1 28 28 HTM H3' H 1 4.632 0.023 . 1 . . . . . 28 HTM H3' . 52792 1 stop_ save_