################################### # 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 4734 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4734 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 6 6 LYS H H 1 8.49 0.02 . 1 . . . . . . . . 4734 1 2 . 1 1 6 6 LYS N N 15 123.4 0.2 . 1 . . . . . . . . 4734 1 3 . 1 1 9 9 LEU H H 1 8.00 0.02 . 1 . . . . . . . . 4734 1 4 . 1 1 9 9 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 4734 1 5 . 1 1 9 9 LEU HD11 H 1 0.82 0.02 . 1 . . . . . . . . 4734 1 6 . 1 1 9 9 LEU HD12 H 1 0.82 0.02 . 1 . . . . . . . . 4734 1 7 . 1 1 9 9 LEU HD13 H 1 0.82 0.02 . 1 . . . . . . . . 4734 1 8 . 1 1 9 9 LEU HD21 H 1 0.82 0.02 . 1 . . . . . . . . 4734 1 9 . 1 1 9 9 LEU HD22 H 1 0.82 0.02 . 1 . . . . . . . . 4734 1 10 . 1 1 9 9 LEU HD23 H 1 0.82 0.02 . 1 . . . . . . . . 4734 1 11 . 1 1 9 9 LEU N N 15 121.5 0.2 . 1 . . . . . . . . 4734 1 12 . 1 1 10 10 SER H H 1 7.93 0.02 . 1 . . . . . . . . 4734 1 13 . 1 1 10 10 SER HA H 1 4.32 0.02 . 1 . . . . . . . . 4734 1 14 . 1 1 10 10 SER HB2 H 1 4.16 0.02 . 1 . . . . . . . . 4734 1 15 . 1 1 10 10 SER HB3 H 1 4.16 0.02 . 1 . . . . . . . . 4734 1 16 . 1 1 10 10 SER N N 15 114.5 0.2 . 1 . . . . . . . . 4734 1 17 . 1 1 11 11 ALA H H 1 9.08 0.02 . 1 . . . . . . . . 4734 1 18 . 1 1 11 11 ALA HA H 1 4.10 0.02 . 1 . . . . . . . . 4734 1 19 . 1 1 11 11 ALA HB1 H 1 1.72 0.02 . 1 . . . . . . . . 4734 1 20 . 1 1 11 11 ALA HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4734 1 21 . 1 1 11 11 ALA HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4734 1 22 . 1 1 11 11 ALA N N 15 122.6 0.2 . 1 . . . . . . . . 4734 1 23 . 1 1 12 12 TYR H H 1 7.92 0.02 . 1 . . . . . . . . 4734 1 24 . 1 1 12 12 TYR N N 15 115.6 0.2 . 1 . . . . . . . . 4734 1 25 . 1 1 13 13 MET H H 1 7.39 0.02 . 1 . . . . . . . . 4734 1 26 . 1 1 13 13 MET HG2 H 1 2.33 0.02 . 1 . . . . . . . . 4734 1 27 . 1 1 13 13 MET HG3 H 1 2.33 0.02 . 1 . . . . . . . . 4734 1 28 . 1 1 13 13 MET HE1 H 1 2.00 0.02 . 1 . . . . . . . . 4734 1 29 . 1 1 13 13 MET HE2 H 1 2.00 0.02 . 1 . . . . . . . . 4734 1 30 . 1 1 13 13 MET HE3 H 1 2.00 0.02 . 1 . . . . . . . . 4734 1 31 . 1 1 13 13 MET N N 15 118.1 0.2 . 1 . . . . . . . . 4734 1 32 . 1 1 14 14 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 4734 1 33 . 1 1 14 14 LEU HD11 H 1 1.01 0.02 . 2 . . . . . . . . 4734 1 34 . 1 1 14 14 LEU HD12 H 1 1.01 0.02 . 2 . . . . . . . . 4734 1 35 . 1 1 14 14 LEU HD13 H 1 1.01 0.02 . 2 . . . . . . . . 4734 1 36 . 1 1 14 14 LEU HD21 H 1 0.90 0.02 . 2 . . . . . . . . 4734 1 37 . 1 1 14 14 LEU HD22 H 1 0.90 0.02 . 2 . . . . . . . . 4734 1 38 . 1 1 14 14 LEU HD23 H 1 0.90 0.02 . 2 . . . . . . . . 4734 1 39 . 1 1 14 14 LEU N N 15 120.8 0.2 . 1 . . . . . . . . 4734 1 40 . 1 1 15 15 TRP H H 1 7.92 0.02 . 1 . . . . . . . . 4734 1 41 . 1 1 15 15 TRP HD1 H 1 6.21 0.02 . 1 . . . . . . . . 4734 1 42 . 1 1 15 15 TRP HE1 H 1 9.87 0.02 . 1 . . . . . . . . 4734 1 43 . 1 1 15 15 TRP HZ2 H 1 7.19 0.02 . 1 . . . . . . . . 4734 1 44 . 1 1 15 15 TRP N N 15 122.8 0.2 . 1 . . . . . . . . 4734 1 45 . 1 1 15 15 TRP NE1 N 15 129.1 0.2 . 1 . . . . . . . . 4734 1 46 . 1 1 16 16 LEU H H 1 8.98 0.02 . 1 . . . . . . . . 4734 1 47 . 1 1 16 16 LEU HD11 H 1 0.48 0.02 . 1 . . . . . . . . 4734 1 48 . 1 1 16 16 LEU HD12 H 1 0.48 0.02 . 1 . . . . . . . . 4734 1 49 . 1 1 16 16 LEU HD13 H 1 0.48 0.02 . 1 . . . . . . . . 4734 1 50 . 1 1 16 16 LEU HD21 H 1 1.07 0.02 . 1 . . . . . . . . 4734 1 51 . 1 1 16 16 LEU HD22 H 1 1.07 0.02 . 1 . . . . . . . . 4734 1 52 . 1 1 16 16 LEU HD23 H 1 1.07 0.02 . 1 . . . . . . . . 4734 1 53 . 1 1 16 16 LEU N N 15 124.0 0.2 . 1 . . . . . . . . 4734 1 54 . 1 1 17 17 ASN H H 1 8.03 0.02 . 1 . . . . . . . . 4734 1 55 . 1 1 17 17 ASN HB2 H 1 2.63 0.02 . 1 . . . . . . . . 4734 1 56 . 1 1 17 17 ASN HB3 H 1 2.63 0.02 . 1 . . . . . . . . 4734 1 57 . 1 1 17 17 ASN N N 15 115.4 0.2 . 1 . . . . . . . . 4734 1 58 . 1 1 18 18 SER H H 1 7.26 0.02 . 1 . . . . . . . . 4734 1 59 . 1 1 18 18 SER HA H 1 4.16 0.02 . 1 . . . . . . . . 4734 1 60 . 1 1 18 18 SER HB2 H 1 3.91 0.02 . 2 . . . . . . . . 4734 1 61 . 1 1 18 18 SER HB3 H 1 3.99 0.02 . 2 . . . . . . . . 4734 1 62 . 1 1 18 18 SER CA C 13 60.4 0.2 . 1 . . . . . . . . 4734 1 63 . 1 1 18 18 SER N N 15 117.0 0.2 . 1 . . . . . . . . 4734 1 64 . 1 1 19 19 ALA H H 1 7.46 0.02 . 1 . . . . . . . . 4734 1 65 . 1 1 19 19 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 4734 1 66 . 1 1 19 19 ALA HB1 H 1 0.44 0.02 . 1 . . . . . . . . 4734 1 67 . 1 1 19 19 ALA HB2 H 1 0.44 0.02 . 1 . . . . . . . . 4734 1 68 . 1 1 19 19 ALA HB3 H 1 0.44 0.02 . 1 . . . . . . . . 4734 1 69 . 1 1 19 19 ALA N N 15 125.1 0.2 . 1 . . . . . . . . 4734 1 70 . 1 1 20 20 ARG H H 1 7.84 0.02 . 1 . . . . . . . . 4734 1 71 . 1 1 20 20 ARG HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4734 1 72 . 1 1 20 20 ARG HB3 H 1 1.64 0.02 . 2 . . . . . . . . 4734 1 73 . 1 1 20 20 ARG HG2 H 1 1.56 0.02 . 1 . . . . . . . . 4734 1 74 . 1 1 20 20 ARG HG3 H 1 1.56 0.02 . 1 . . . . . . . . 4734 1 75 . 1 1 20 20 ARG N N 15 120.1 0.2 . 1 . . . . . . . . 4734 1 76 . 1 1 21 21 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 4734 1 77 . 1 1 21 21 GLU HA H 1 4.00 0.02 . 1 . . . . . . . . 4734 1 78 . 1 1 21 21 GLU HB2 H 1 2.00 0.02 . 1 . . . . . . . . 4734 1 79 . 1 1 21 21 GLU HB3 H 1 2.00 0.02 . 1 . . . . . . . . 4734 1 80 . 1 1 21 21 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 4734 1 81 . 1 1 21 21 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 4734 1 82 . 1 1 21 21 GLU CA C 13 59.6 0.2 . 1 . . . . . . . . 4734 1 83 . 1 1 21 21 GLU N N 15 117.0 0.2 . 1 . . . . . . . . 4734 1 84 . 1 1 22 22 SER H H 1 8.04 0.02 . 1 . . . . . . . . 4734 1 85 . 1 1 22 22 SER HA H 1 4.15 0.02 . 1 . . . . . . . . 4734 1 86 . 1 1 22 22 SER HB2 H 1 3.99 0.02 . 1 . . . . . . . . 4734 1 87 . 1 1 22 22 SER HB3 H 1 3.99 0.02 . 1 . . . . . . . . 4734 1 88 . 1 1 22 22 SER N N 15 116.8 0.2 . 1 . . . . . . . . 4734 1 89 . 1 1 23 23 ILE H H 1 8.05 0.02 . 1 . . . . . . . . 4734 1 90 . 1 1 23 23 ILE HA H 1 3.64 0.02 . 1 . . . . . . . . 4734 1 91 . 1 1 23 23 ILE HG12 H 1 0.82 0.02 . 1 . . . . . . . . 4734 1 92 . 1 1 23 23 ILE HG13 H 1 0.82 0.02 . 1 . . . . . . . . 4734 1 93 . 1 1 23 23 ILE HG21 H 1 0.90 0.02 . 1 . . . . . . . . 4734 1 94 . 1 1 23 23 ILE HG22 H 1 0.90 0.02 . 1 . . . . . . . . 4734 1 95 . 1 1 23 23 ILE HG23 H 1 0.90 0.02 . 1 . . . . . . . . 4734 1 96 . 1 1 23 23 ILE HD11 H 1 0.57 0.02 . 1 . . . . . . . . 4734 1 97 . 1 1 23 23 ILE HD12 H 1 0.57 0.02 . 1 . . . . . . . . 4734 1 98 . 1 1 23 23 ILE HD13 H 1 0.57 0.02 . 1 . . . . . . . . 4734 1 99 . 1 1 23 23 ILE N N 15 122.8 0.2 . 1 . . . . . . . . 4734 1 100 . 1 1 24 24 LYS H H 1 7.89 0.02 . 1 . . . . . . . . 4734 1 101 . 1 1 24 24 LYS N N 15 118.7 0.2 . 1 . . . . . . . . 4734 1 102 . 1 1 25 25 ARG H H 1 7.84 0.02 . 1 . . . . . . . . 4734 1 103 . 1 1 25 25 ARG N N 15 118.2 0.2 . 1 . . . . . . . . 4734 1 104 . 1 1 26 26 GLU H H 1 7.82 0.02 . 1 . . . . . . . . 4734 1 105 . 1 1 26 26 GLU HA H 1 4.24 0.02 . 1 . . . . . . . . 4734 1 106 . 1 1 26 26 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4734 1 107 . 1 1 26 26 GLU HB3 H 1 2.16 0.02 . 2 . . . . . . . . 4734 1 108 . 1 1 26 26 GLU HG2 H 1 2.32 0.02 . 2 . . . . . . . . 4734 1 109 . 1 1 26 26 GLU HG3 H 1 2.49 0.02 . 2 . . . . . . . . 4734 1 110 . 1 1 26 26 GLU N N 15 115.2 0.2 . 1 . . . . . . . . 4734 1 111 . 1 1 27 27 ASN H H 1 7.25 0.02 . 1 . . . . . . . . 4734 1 112 . 1 1 27 27 ASN HA H 1 5.12 0.02 . 1 . . . . . . . . 4734 1 113 . 1 1 27 27 ASN HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4734 1 114 . 1 1 27 27 ASN HB3 H 1 2.51 0.02 . 2 . . . . . . . . 4734 1 115 . 1 1 27 27 ASN HD21 H 1 7.36 0.02 . 2 . . . . . . . . 4734 1 116 . 1 1 27 27 ASN HD22 H 1 8.22 0.02 . 2 . . . . . . . . 4734 1 117 . 1 1 27 27 ASN CA C 13 50.5 0.2 . 1 . . . . . . . . 4734 1 118 . 1 1 27 27 ASN N N 15 116.3 0.2 . 1 . . . . . . . . 4734 1 119 . 1 1 27 27 ASN ND2 N 15 116.7 0.2 . 1 . . . . . . . . 4734 1 120 . 1 1 28 28 PRO HG2 H 1 2.11 0.02 . 2 . . . . . . . . 4734 1 121 . 1 1 28 28 PRO HG3 H 1 2.01 0.02 . 2 . . . . . . . . 4734 1 122 . 1 1 28 28 PRO HD2 H 1 3.46 0.02 . 2 . . . . . . . . 4734 1 123 . 1 1 28 28 PRO HD3 H 1 3.61 0.02 . 2 . . . . . . . . 4734 1 124 . 1 1 29 29 GLY H H 1 8.78 0.02 . 1 . . . . . . . . 4734 1 125 . 1 1 29 29 GLY HA2 H 1 3.77 0.02 . 2 . . . . . . . . 4734 1 126 . 1 1 29 29 GLY HA3 H 1 4.10 0.02 . 2 . . . . . . . . 4734 1 127 . 1 1 29 29 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 4734 1 128 . 1 1 29 29 GLY N N 15 112.0 0.2 . 1 . . . . . . . . 4734 1 129 . 1 1 30 30 ILE H H 1 7.80 0.02 . 1 . . . . . . . . 4734 1 130 . 1 1 30 30 ILE HA H 1 4.10 0.02 . 1 . . . . . . . . 4734 1 131 . 1 1 30 30 ILE HG12 H 1 1.67 0.02 . 2 . . . . . . . . 4734 1 132 . 1 1 30 30 ILE HG13 H 1 1.56 0.02 . 2 . . . . . . . . 4734 1 133 . 1 1 30 30 ILE HG21 H 1 0.87 0.02 . 1 . . . . . . . . 4734 1 134 . 1 1 30 30 ILE HG22 H 1 0.87 0.02 . 1 . . . . . . . . 4734 1 135 . 1 1 30 30 ILE HG23 H 1 0.87 0.02 . 1 . . . . . . . . 4734 1 136 . 1 1 30 30 ILE HD11 H 1 0.65 0.02 . 1 . . . . . . . . 4734 1 137 . 1 1 30 30 ILE HD12 H 1 0.65 0.02 . 1 . . . . . . . . 4734 1 138 . 1 1 30 30 ILE HD13 H 1 0.65 0.02 . 1 . . . . . . . . 4734 1 139 . 1 1 30 30 ILE CA C 13 62.3 0.2 . 1 . . . . . . . . 4734 1 140 . 1 1 30 30 ILE N N 15 121.0 0.2 . 1 . . . . . . . . 4734 1 141 . 1 1 31 31 LYS H H 1 8.59 0.02 . 1 . . . . . . . . 4734 1 142 . 1 1 31 31 LYS HA H 1 4.54 0.02 . 1 . . . . . . . . 4734 1 143 . 1 1 31 31 LYS HB2 H 1 2.32 0.02 . 2 . . . . . . . . 4734 1 144 . 1 1 31 31 LYS HB3 H 1 1.72 0.02 . 2 . . . . . . . . 4734 1 145 . 1 1 31 31 LYS HG2 H 1 1.69 0.02 . 1 . . . . . . . . 4734 1 146 . 1 1 31 31 LYS HG3 H 1 1.69 0.02 . 1 . . . . . . . . 4734 1 147 . 1 1 31 31 LYS CA C 13 55.9 0.2 . 1 . . . . . . . . 4734 1 148 . 1 1 31 31 LYS N N 15 125.9 0.2 . 1 . . . . . . . . 4734 1 149 . 1 1 33 33 THR H H 1 7.41 0.02 . 1 . . . . . . . . 4734 1 150 . 1 1 33 33 THR HB H 1 4.30 0.02 . 1 . . . . . . . . 4734 1 151 . 1 1 33 33 THR HG21 H 1 1.17 0.02 . 1 . . . . . . . . 4734 1 152 . 1 1 33 33 THR HG22 H 1 1.17 0.02 . 1 . . . . . . . . 4734 1 153 . 1 1 33 33 THR HG23 H 1 1.17 0.02 . 1 . . . . . . . . 4734 1 154 . 1 1 33 33 THR N N 15 109.8 0.2 . 1 . . . . . . . . 4734 1 155 . 1 1 34 34 GLU H H 1 7.59 0.02 . 1 . . . . . . . . 4734 1 156 . 1 1 34 34 GLU N N 15 120.2 0.2 . 1 . . . . . . . . 4734 1 157 . 1 1 36 36 ALA H H 1 7.91 0.02 . 1 . . . . . . . . 4734 1 158 . 1 1 36 36 ALA N N 15 119.6 0.2 . 1 . . . . . . . . 4734 1 159 . 1 1 37 37 LYS H H 1 7.28 0.02 . 1 . . . . . . . . 4734 1 160 . 1 1 37 37 LYS N N 15 108.3 0.2 . 1 . . . . . . . . 4734 1 161 . 1 1 38 38 ARG H H 1 8.39 0.02 . 1 . . . . . . . . 4734 1 162 . 1 1 38 38 ARG HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4734 1 163 . 1 1 38 38 ARG HB3 H 1 1.97 0.02 . 1 . . . . . . . . 4734 1 164 . 1 1 38 38 ARG N N 15 120.0 0.2 . 1 . . . . . . . . 4734 1 165 . 1 1 39 39 GLY H H 1 9.33 0.02 . 1 . . . . . . . . 4734 1 166 . 1 1 39 39 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 4734 1 167 . 1 1 39 39 GLY HA3 H 1 4.10 0.02 . 2 . . . . . . . . 4734 1 168 . 1 1 39 39 GLY N N 15 108.4 0.2 . 1 . . . . . . . . 4734 1 169 . 1 1 40 40 GLY H H 1 8.78 0.02 . 1 . . . . . . . . 4734 1 170 . 1 1 40 40 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 4734 1 171 . 1 1 40 40 GLY HA3 H 1 3.99 0.02 . 2 . . . . . . . . 4734 1 172 . 1 1 40 40 GLY N N 15 108.9 0.2 . 1 . . . . . . . . 4734 1 173 . 1 1 41 41 GLU H H 1 7.63 0.02 . 1 . . . . . . . . 4734 1 174 . 1 1 41 41 GLU HA H 1 3.99 0.02 . 1 . . . . . . . . 4734 1 175 . 1 1 41 41 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 4734 1 176 . 1 1 41 41 GLU HB3 H 1 2.38 0.02 . 2 . . . . . . . . 4734 1 177 . 1 1 41 41 GLU N N 15 120.4 0.2 . 1 . . . . . . . . 4734 1 178 . 1 1 42 42 LEU H H 1 8.48 0.02 . 1 . . . . . . . . 4734 1 179 . 1 1 42 42 LEU N N 15 122.0 0.2 . 1 . . . . . . . . 4734 1 180 . 1 1 43 43 TRP H H 1 8.91 0.02 . 1 . . . . . . . . 4734 1 181 . 1 1 43 43 TRP HD1 H 1 6.89 0.02 . 1 . . . . . . . . 4734 1 182 . 1 1 43 43 TRP HE1 H 1 10.54 0.02 . 1 . . . . . . . . 4734 1 183 . 1 1 43 43 TRP HZ2 H 1 7.58 0.02 . 1 . . . . . . . . 4734 1 184 . 1 1 43 43 TRP N N 15 121.9 0.2 . 1 . . . . . . . . 4734 1 185 . 1 1 43 43 TRP NE1 N 15 129.4 0.2 . 1 . . . . . . . . 4734 1 186 . 1 1 44 44 ARG H H 1 8.36 0.02 . 1 . . . . . . . . 4734 1 187 . 1 1 44 44 ARG HA H 1 3.91 0.02 . 1 . . . . . . . . 4734 1 188 . 1 1 44 44 ARG N N 15 116.4 0.2 . 1 . . . . . . . . 4734 1 189 . 1 1 45 45 ALA H H 1 7.13 0.02 . 1 . . . . . . . . 4734 1 190 . 1 1 45 45 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4734 1 191 . 1 1 45 45 ALA HB1 H 1 1.45 0.02 . 1 . . . . . . . . 4734 1 192 . 1 1 45 45 ALA HB2 H 1 1.45 0.02 . 1 . . . . . . . . 4734 1 193 . 1 1 45 45 ALA HB3 H 1 1.45 0.02 . 1 . . . . . . . . 4734 1 194 . 1 1 45 45 ALA CA C 13 52.0 0.2 . 1 . . . . . . . . 4734 1 195 . 1 1 45 45 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 4734 1 196 . 1 1 45 45 ALA N N 15 118.1 0.2 . 1 . . . . . . . . 4734 1 197 . 1 1 46 46 MET H H 1 7.07 0.02 . 1 . . . . . . . . 4734 1 198 . 1 1 46 46 MET HA H 1 3.97 0.02 . 1 . . . . . . . . 4734 1 199 . 1 1 46 46 MET HB2 H 1 1.50 0.02 . 2 . . . . . . . . 4734 1 200 . 1 1 46 46 MET HB3 H 1 1.78 0.02 . 2 . . . . . . . . 4734 1 201 . 1 1 46 46 MET HG2 H 1 1.97 0.02 . 2 . . . . . . . . 4734 1 202 . 1 1 46 46 MET HG3 H 1 2.38 0.02 . 2 . . . . . . . . 4734 1 203 . 1 1 46 46 MET HE1 H 1 1.50 0.02 . 1 . . . . . . . . 4734 1 204 . 1 1 46 46 MET HE2 H 1 1.50 0.02 . 1 . . . . . . . . 4734 1 205 . 1 1 46 46 MET HE3 H 1 1.50 0.02 . 1 . . . . . . . . 4734 1 206 . 1 1 46 46 MET CA C 13 56.6 0.2 . 1 . . . . . . . . 4734 1 207 . 1 1 46 46 MET N N 15 121.3 0.2 . 1 . . . . . . . . 4734 1 208 . 1 1 47 47 LYS H H 1 8.41 0.02 . 1 . . . . . . . . 4734 1 209 . 1 1 47 47 LYS N N 15 126.9 0.2 . 1 . . . . . . . . 4734 1 210 . 1 1 48 48 ASP H H 1 8.01 0.02 . 1 . . . . . . . . 4734 1 211 . 1 1 48 48 ASP HA H 1 4.87 0.02 . 1 . . . . . . . . 4734 1 212 . 1 1 48 48 ASP N N 15 116.8 0.2 . 1 . . . . . . . . 4734 1 213 . 1 1 49 49 LYS H H 1 8.88 0.02 . 1 . . . . . . . . 4734 1 214 . 1 1 49 49 LYS HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4734 1 215 . 1 1 49 49 LYS HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4734 1 216 . 1 1 49 49 LYS HG2 H 1 0.85 0.02 . 1 . . . . . . . . 4734 1 217 . 1 1 49 49 LYS HG3 H 1 0.85 0.02 . 1 . . . . . . . . 4734 1 218 . 1 1 49 49 LYS N N 15 126.0 0.2 . 1 . . . . . . . . 4734 1 219 . 1 1 50 50 SER H H 1 8.49 0.02 . 1 . . . . . . . . 4734 1 220 . 1 1 50 50 SER HA H 1 4.18 0.02 . 1 . . . . . . . . 4734 1 221 . 1 1 50 50 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 4734 1 222 . 1 1 50 50 SER HB3 H 1 3.92 0.02 . 2 . . . . . . . . 4734 1 223 . 1 1 50 50 SER N N 15 117.8 0.2 . 1 . . . . . . . . 4734 1 224 . 1 1 51 51 GLU H H 1 9.04 0.02 . 1 . . . . . . . . 4734 1 225 . 1 1 51 51 GLU HA H 1 3.94 0.02 . 1 . . . . . . . . 4734 1 226 . 1 1 51 51 GLU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4734 1 227 . 1 1 51 51 GLU HB3 H 1 1.20 0.02 . 2 . . . . . . . . 4734 1 228 . 1 1 51 51 GLU CA C 13 59.1 0.2 . 1 . . . . . . . . 4734 1 229 . 1 1 51 51 GLU N N 15 124.5 0.2 . 1 . . . . . . . . 4734 1 230 . 1 1 52 52 TRP H H 1 6.91 0.02 . 1 . . . . . . . . 4734 1 231 . 1 1 52 52 TRP HB2 H 1 3.42 0.02 . 1 . . . . . . . . 4734 1 232 . 1 1 52 52 TRP HB3 H 1 3.42 0.02 . 1 . . . . . . . . 4734 1 233 . 1 1 52 52 TRP HD1 H 1 7.31 0.02 . 1 . . . . . . . . 4734 1 234 . 1 1 52 52 TRP HE1 H 1 10.66 0.02 . 1 . . . . . . . . 4734 1 235 . 1 1 52 52 TRP HE3 H 1 7.60 0.02 . 1 . . . . . . . . 4734 1 236 . 1 1 52 52 TRP HZ2 H 1 7.77 0.02 . 1 . . . . . . . . 4734 1 237 . 1 1 52 52 TRP HZ3 H 1 7.09 0.02 . 1 . . . . . . . . 4734 1 238 . 1 1 52 52 TRP HH2 H 1 7.36 0.02 . 1 . . . . . . . . 4734 1 239 . 1 1 52 52 TRP N N 15 121.5 0.2 . 1 . . . . . . . . 4734 1 240 . 1 1 52 52 TRP NE1 N 15 130.1 0.2 . 1 . . . . . . . . 4734 1 241 . 1 1 53 53 GLU H H 1 8.54 0.02 . 1 . . . . . . . . 4734 1 242 . 1 1 53 53 GLU HB2 H 1 2.16 0.02 . 1 . . . . . . . . 4734 1 243 . 1 1 53 53 GLU HB3 H 1 2.16 0.02 . 1 . . . . . . . . 4734 1 244 . 1 1 53 53 GLU HG2 H 1 2.52 0.02 . 1 . . . . . . . . 4734 1 245 . 1 1 53 53 GLU HG3 H 1 2.52 0.02 . 1 . . . . . . . . 4734 1 246 . 1 1 53 53 GLU N N 15 120.4 0.2 . 1 . . . . . . . . 4734 1 247 . 1 1 54 54 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 4734 1 248 . 1 1 54 54 ALA N N 15 123.1 0.2 . 1 . . . . . . . . 4734 1 249 . 1 1 55 55 LYS H H 1 7.80 0.02 . 1 . . . . . . . . 4734 1 250 . 1 1 55 55 LYS N N 15 118.9 0.2 . 1 . . . . . . . . 4734 1 251 . 1 1 56 56 ALA H H 1 8.67 0.02 . 1 . . . . . . . . 4734 1 252 . 1 1 56 56 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 4734 1 253 . 1 1 56 56 ALA HB1 H 1 1.67 0.02 . 1 . . . . . . . . 4734 1 254 . 1 1 56 56 ALA HB2 H 1 1.67 0.02 . 1 . . . . . . . . 4734 1 255 . 1 1 56 56 ALA HB3 H 1 1.67 0.02 . 1 . . . . . . . . 4734 1 256 . 1 1 56 56 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 4734 1 257 . 1 1 56 56 ALA N N 15 124.2 0.2 . 1 . . . . . . . . 4734 1 258 . 1 1 57 57 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 4734 1 259 . 1 1 57 57 ALA N N 15 123.6 0.2 . 1 . . . . . . . . 4734 1 260 . 1 1 58 58 LYS H H 1 7.81 0.02 . 1 . . . . . . . . 4734 1 261 . 1 1 58 58 LYS N N 15 120.1 0.2 . 1 . . . . . . . . 4734 1 262 . 1 1 59 59 ALA H H 1 8.01 0.02 . 1 . . . . . . . . 4734 1 263 . 1 1 59 59 ALA N N 15 120.1 0.2 . 1 . . . . . . . . 4734 1 264 . 1 1 60 60 LYS H H 1 8.18 0.02 . 1 . . . . . . . . 4734 1 265 . 1 1 60 60 LYS N N 15 121.5 0.2 . 1 . . . . . . . . 4734 1 266 . 1 1 61 61 ASP H H 1 8.06 0.02 . 1 . . . . . . . . 4734 1 267 . 1 1 61 61 ASP N N 15 121.3 0.2 . 1 . . . . . . . . 4734 1 268 . 1 1 62 62 ASP H H 1 8.60 0.02 . 1 . . . . . . . . 4734 1 269 . 1 1 62 62 ASP HA H 1 4.43 0.02 . 1 . . . . . . . . 4734 1 270 . 1 1 62 62 ASP HB2 H 1 2.76 0.02 . 2 . . . . . . . . 4734 1 271 . 1 1 62 62 ASP HB3 H 1 2.87 0.02 . 2 . . . . . . . . 4734 1 272 . 1 1 62 62 ASP CA C 13 57.4 0.2 . 1 . . . . . . . . 4734 1 273 . 1 1 62 62 ASP N N 15 119.5 0.2 . 1 . . . . . . . . 4734 1 274 . 1 1 63 63 TYR H H 1 8.14 0.02 . 1 . . . . . . . . 4734 1 275 . 1 1 63 63 TYR HB2 H 1 3.34 0.02 . 2 . . . . . . . . 4734 1 276 . 1 1 63 63 TYR HB3 H 1 3.17 0.02 . 2 . . . . . . . . 4734 1 277 . 1 1 63 63 TYR HD1 H 1 7.27 0.02 . 1 . . . . . . . . 4734 1 278 . 1 1 63 63 TYR HD2 H 1 7.27 0.02 . 1 . . . . . . . . 4734 1 279 . 1 1 63 63 TYR HE1 H 1 6.67 0.02 . 1 . . . . . . . . 4734 1 280 . 1 1 63 63 TYR HE2 H 1 6.67 0.02 . 1 . . . . . . . . 4734 1 281 . 1 1 63 63 TYR N N 15 123.5 0.2 . 1 . . . . . . . . 4734 1 282 . 1 1 64 64 ASP H H 1 8.82 0.02 . 1 . . . . . . . . 4734 1 283 . 1 1 64 64 ASP HA H 1 4.24 0.02 . 1 . . . . . . . . 4734 1 284 . 1 1 64 64 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 4734 1 285 . 1 1 64 64 ASP HB3 H 1 2.95 0.02 . 2 . . . . . . . . 4734 1 286 . 1 1 64 64 ASP N N 15 120.5 0.2 . 1 . . . . . . . . 4734 1 287 . 1 1 65 65 ARG H H 1 7.89 0.02 . 1 . . . . . . . . 4734 1 288 . 1 1 65 65 ARG N N 15 118.7 0.2 . 1 . . . . . . . . 4734 1 289 . 1 1 66 66 ALA H H 1 8.14 0.02 . 1 . . . . . . . . 4734 1 290 . 1 1 66 66 ALA N N 15 123.5 0.2 . 1 . . . . . . . . 4734 1 291 . 1 1 67 67 VAL H H 1 8.96 0.02 . 1 . . . . . . . . 4734 1 292 . 1 1 67 67 VAL HG11 H 1 0.51 0.02 . 2 . . . . . . . . 4734 1 293 . 1 1 67 67 VAL HG12 H 1 0.51 0.02 . 2 . . . . . . . . 4734 1 294 . 1 1 67 67 VAL HG13 H 1 0.51 0.02 . 2 . . . . . . . . 4734 1 295 . 1 1 67 67 VAL HG21 H 1 0.87 0.02 . 2 . . . . . . . . 4734 1 296 . 1 1 67 67 VAL HG22 H 1 0.87 0.02 . 2 . . . . . . . . 4734 1 297 . 1 1 67 67 VAL HG23 H 1 0.87 0.02 . 2 . . . . . . . . 4734 1 298 . 1 1 67 67 VAL N N 15 121.3 0.2 . 1 . . . . . . . . 4734 1 299 . 1 1 68 68 LYS H H 1 7.62 0.02 . 1 . . . . . . . . 4734 1 300 . 1 1 68 68 LYS HA H 1 4.13 0.02 . 1 . . . . . . . . 4734 1 301 . 1 1 68 68 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4734 1 302 . 1 1 68 68 LYS HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4734 1 303 . 1 1 68 68 LYS HG2 H 1 1.50 0.02 . 2 . . . . . . . . 4734 1 304 . 1 1 68 68 LYS HG3 H 1 1.64 0.02 . 2 . . . . . . . . 4734 1 305 . 1 1 68 68 LYS N N 15 120.4 0.2 . 1 . . . . . . . . 4734 1 306 . 1 1 69 69 GLU H H 1 7.90 0.02 . 1 . . . . . . . . 4734 1 307 . 1 1 69 69 GLU N N 15 118.8 0.2 . 1 . . . . . . . . 4734 1 308 . 1 1 70 70 PHE H H 1 8.25 0.02 . 1 . . . . . . . . 4734 1 309 . 1 1 70 70 PHE HB2 H 1 3.31 0.02 . 1 . . . . . . . . 4734 1 310 . 1 1 70 70 PHE HB3 H 1 3.31 0.02 . 1 . . . . . . . . 4734 1 311 . 1 1 70 70 PHE N N 15 121.3 0.2 . 1 . . . . . . . . 4734 1 312 . 1 1 71 71 GLU H H 1 8.61 0.02 . 1 . . . . . . . . 4734 1 313 . 1 1 71 71 GLU HA H 1 3.91 0.02 . 1 . . . . . . . . 4734 1 314 . 1 1 71 71 GLU HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4734 1 315 . 1 1 71 71 GLU HB3 H 1 2.30 0.02 . 2 . . . . . . . . 4734 1 316 . 1 1 71 71 GLU HG2 H 1 2.62 0.02 . 1 . . . . . . . . 4734 1 317 . 1 1 71 71 GLU HG3 H 1 2.62 0.02 . 1 . . . . . . . . 4734 1 318 . 1 1 71 71 GLU N N 15 119.5 0.2 . 1 . . . . . . . . 4734 1 319 . 1 1 72 72 ALA H H 1 8.05 0.02 . 1 . . . . . . . . 4734 1 320 . 1 1 72 72 ALA N N 15 122.4 0.2 . 1 . . . . . . . . 4734 1 321 . 1 1 73 73 ASN H H 1 7.77 0.02 . 1 . . . . . . . . 4734 1 322 . 1 1 73 73 ASN HA H 1 4.79 0.02 . 1 . . . . . . . . 4734 1 323 . 1 1 73 73 ASN HB2 H 1 2.95 0.02 . 2 . . . . . . . . 4734 1 324 . 1 1 73 73 ASN HB3 H 1 2.79 0.02 . 2 . . . . . . . . 4734 1 325 . 1 1 73 73 ASN HD21 H 1 7.64 0.02 . 2 . . . . . . . . 4734 1 326 . 1 1 73 73 ASN HD22 H 1 6.99 0.02 . 2 . . . . . . . . 4734 1 327 . 1 1 73 73 ASN CA C 13 52.5 0.2 . 1 . . . . . . . . 4734 1 328 . 1 1 73 73 ASN CB C 13 38.9 0.2 . 1 . . . . . . . . 4734 1 329 . 1 1 73 73 ASN N N 15 115.1 0.2 . 1 . . . . . . . . 4734 1 330 . 1 1 73 73 ASN ND2 N 15 113.4 0.2 . 1 . . . . . . . . 4734 1 331 . 1 1 74 74 GLY H H 1 7.90 0.02 . 1 . . . . . . . . 4734 1 332 . 1 1 74 74 GLY HA2 H 1 3.80 0.02 . 2 . . . . . . . . 4734 1 333 . 1 1 74 74 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 4734 1 334 . 1 1 74 74 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 4734 1 335 . 1 1 74 74 GLY N N 15 107.8 0.2 . 1 . . . . . . . . 4734 1 336 . 1 1 75 75 GLY H H 1 8.03 0.02 . 1 . . . . . . . . 4734 1 337 . 1 1 75 75 GLY HA2 H 1 3.31 0.02 . 2 . . . . . . . . 4734 1 338 . 1 1 75 75 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 4734 1 339 . 1 1 75 75 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4734 1 340 . 1 1 75 75 GLY N N 15 108.8 0.2 . 1 . . . . . . . . 4734 1 341 . 1 1 76 76 SER H H 1 8.13 0.02 . 1 . . . . . . . . 4734 1 342 . 1 1 76 76 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 4734 1 343 . 1 1 76 76 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 4734 1 344 . 1 1 76 76 SER N N 15 115.7 0.2 . 1 . . . . . . . . 4734 1 345 . 1 1 77 77 SER H H 1 8.52 0.02 . 1 . . . . . . . . 4734 1 346 . 1 1 77 77 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 4734 1 347 . 1 1 77 77 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 4734 1 348 . 1 1 77 77 SER N N 15 118.5 0.2 . 1 . . . . . . . . 4734 1 349 . 1 1 80 80 ASN HD21 H 1 7.67 0.02 . 2 . . . . . . . . 4734 1 350 . 1 1 80 80 ASN HD22 H 1 6.98 0.02 . 2 . . . . . . . . 4734 1 351 . 1 1 80 80 ASN ND2 N 15 112.8 0.2 . 1 . . . . . . . . 4734 1 352 . 1 1 81 81 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4734 1 353 . 1 1 82 82 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4734 1 354 . 1 1 90 90 PRO CA C 13 62.9 0.2 . 1 . . . . . . . . 4734 1 355 . 1 1 90 90 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 4734 1 356 . 1 1 91 91 ALA H H 1 8.47 0.02 . 1 . . . . . . . . 4734 1 357 . 1 1 91 91 ALA CA C 13 51.2 0.2 . 1 . . . . . . . . 4734 1 358 . 1 1 91 91 ALA N N 15 124.8 0.2 . 1 . . . . . . . . 4734 1 359 . 1 1 94 94 VAL CA C 13 62.1 0.2 . 1 . . . . . . . . 4734 1 360 . 1 1 94 94 VAL CB C 13 32.8 0.2 . 1 . . . . . . . . 4734 1 361 . 1 1 95 95 ALA H H 1 8.44 0.02 . 1 . . . . . . . . 4734 1 362 . 1 1 95 95 ALA N N 15 128.3 0.2 . 1 . . . . . . . . 4734 1 363 . 1 1 101 101 GLU H H 1 8.51 0.02 . 1 . . . . . . . . 4734 1 364 . 1 1 101 101 GLU HB2 H 1 2.13 0.02 . 2 . . . . . . . . 4734 1 365 . 1 1 101 101 GLU HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4734 1 366 . 1 1 101 101 GLU HG2 H 1 2.30 0.02 . 1 . . . . . . . . 4734 1 367 . 1 1 101 101 GLU HG3 H 1 2.30 0.02 . 1 . . . . . . . . 4734 1 368 . 1 1 101 101 GLU CA C 13 56.7 0.2 . 1 . . . . . . . . 4734 1 369 . 1 1 101 101 GLU CB C 13 28.8 0.2 . 1 . . . . . . . . 4734 1 370 . 1 1 101 101 GLU N N 15 121.4 0.2 . 1 . . . . . . . . 4734 1 371 . 1 1 102 102 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 4734 1 372 . 1 1 102 102 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 4734 1 373 . 1 1 102 102 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 4734 1 374 . 1 1 102 102 GLU HG2 H 1 2.32 0.02 . 1 . . . . . . . . 4734 1 375 . 1 1 102 102 GLU HG3 H 1 2.32 0.02 . 1 . . . . . . . . 4734 1 376 . 1 1 102 102 GLU CA C 13 56.6 0.2 . 1 . . . . . . . . 4734 1 377 . 1 1 102 102 GLU CB C 13 29.8 0.2 . 1 . . . . . . . . 4734 1 378 . 1 1 102 102 GLU N N 15 120.6 0.2 . 1 . . . . . . . . 4734 1 379 . 1 1 103 103 SER H H 1 8.21 0.02 . 1 . . . . . . . . 4734 1 380 . 1 1 103 103 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 4734 1 381 . 1 1 103 103 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 4734 1 382 . 1 1 103 103 SER N N 15 115.2 0.2 . 1 . . . . . . . . 4734 1 383 . 1 1 104 104 ASP CA C 13 54.2 0.2 . 1 . . . . . . . . 4734 1 384 . 1 1 106 106 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 4734 1 385 . 1 1 106 106 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 4734 1 386 . 1 1 107 107 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 4734 1 387 . 1 1 107 107 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 4734 1 388 . 1 1 108 108 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 4734 1 389 . 1 1 108 108 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 4734 1 390 . 1 1 109 109 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 4734 1 391 . 1 1 109 109 ASP CB C 13 41.1 0.2 . 1 . . . . . . . . 4734 1 392 . 1 1 110 110 GLU CA C 13 56.4 0.2 . 1 . . . . . . . . 4734 1 393 . 1 1 110 110 GLU CB C 13 29.8 0.2 . 1 . . . . . . . . 4734 1 394 . 1 1 111 111 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4734 1 395 . 1 1 111 111 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 4734 1 396 . 1 1 111 111 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 4734 1 397 . 1 1 111 111 SER N N 15 117.3 0.2 . 1 . . . . . . . . 4734 1 398 . 1 1 112 112 GLU H H 1 8.08 0.02 . 1 . . . . . . . . 4734 1 399 . 1 1 112 112 GLU N N 15 127.6 0.2 . 1 . . . . . . . . 4734 1 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 4734 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4734 2 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 . 2 2 1 1 DC H5 H 1 5.92 0.01 . 1 . . . . . . . . 4734 2 2 . 2 2 1 1 DC H6 H 1 7.63 0.01 . 1 . . . . . . . . 4734 2 3 . 2 2 1 1 DC H1' H 1 5.77 0.01 . 1 . . . . . . . . 4734 2 4 . 2 2 1 1 DC H2' H 1 1.92 0.01 . 1 . . . . . . . . 4734 2 5 . 2 2 1 1 DC H2'' H 1 2.43 0.01 . 1 . . . . . . . . 4734 2 6 . 2 2 1 1 DC H3' H 1 4.71 0.01 . 1 . . . . . . . . 4734 2 7 . 2 2 1 1 DC H4' H 1 4.10 0.01 . 1 . . . . . . . . 4734 2 8 . 2 2 2 2 DG H1 H 1 12.83 0.01 . 1 . . . . . . . . 4734 2 9 . 2 2 2 2 DG H8 H 1 7.98 0.01 . 1 . . . . . . . . 4734 2 10 . 2 2 2 2 DG H1' H 1 5.64 0.01 . 1 . . . . . . . . 4734 2 11 . 2 2 2 2 DG H2' H 1 2.75 0.01 . 1 . . . . . . . . 4734 2 12 . 2 2 2 2 DG H2'' H 1 2.86 0.01 . 1 . . . . . . . . 4734 2 13 . 2 2 2 2 DG H3' H 1 5.03 0.01 . 1 . . . . . . . . 4734 2 14 . 2 2 2 2 DG H4' H 1 4.37 0.01 . 1 . . . . . . . . 4734 2 15 . 2 2 3 3 DA H2 H 1 7.85 0.01 . 1 . . . . . . . . 4734 2 16 . 2 2 3 3 DA H8 H 1 8.27 0.01 . 1 . . . . . . . . 4734 2 17 . 2 2 3 3 DA H1' H 1 6.34 0.01 . 1 . . . . . . . . 4734 2 18 . 2 2 3 3 DA H2' H 1 2.71 0.01 . 1 . . . . . . . . 4734 2 19 . 2 2 3 3 DA H2'' H 1 2.99 0.01 . 1 . . . . . . . . 4734 2 20 . 2 2 3 3 DA H3' H 1 5.07 0.01 . 1 . . . . . . . . 4734 2 21 . 2 2 3 3 DA H4' H 1 4.49 0.01 . 1 . . . . . . . . 4734 2 22 . 2 2 4 4 DT H3 H 1 13.19 0.01 . 1 . . . . . . . . 4734 2 23 . 2 2 4 4 DT H6 H 1 7.16 0.01 . 1 . . . . . . . . 4734 2 24 . 2 2 4 4 DT H71 H 1 1.55 0.01 . 2 . . . . . . . . 4734 2 25 . 2 2 4 4 DT H72 H 1 1.55 0.01 . 2 . . . . . . . . 4734 2 26 . 2 2 4 4 DT H73 H 1 1.55 0.01 . 2 . . . . . . . . 4734 2 27 . 2 2 4 4 DT H1' H 1 5.78 0.01 . 1 . . . . . . . . 4734 2 28 . 2 2 4 4 DT H2' H 1 2.08 0.01 . 1 . . . . . . . . 4734 2 29 . 2 2 4 4 DT H2'' H 1 2.47 0.01 . 1 . . . . . . . . 4734 2 30 . 2 2 4 4 DT H3' H 1 4.91 0.01 . 1 . . . . . . . . 4734 2 31 . 2 2 4 4 DT H4' H 1 4.32 0.01 . 1 . . . . . . . . 4734 2 32 . 2 2 5 5 DA H2 H 1 7.33 0.01 . 1 . . . . . . . . 4734 2 33 . 2 2 5 5 DA H8 H 1 8.21 0.01 . 1 . . . . . . . . 4734 2 34 . 2 2 5 5 DA H1' H 1 6.20 0.01 . 1 . . . . . . . . 4734 2 35 . 2 2 5 5 DA H2' H 1 2.51 0.01 . 1 . . . . . . . . 4734 2 36 . 2 2 5 5 DA H2'' H 1 2.79 0.01 . 1 . . . . . . . . 4734 2 37 . 2 2 5 5 DA H3' H 1 4.93 0.01 . 1 . . . . . . . . 4734 2 38 . 2 2 6 6 DT H3 H 1 13.77 0.01 . 1 . . . . . . . . 4734 2 39 . 2 2 6 6 DT H6 H 1 7.22 0.01 . 1 . . . . . . . . 4734 2 40 . 2 2 6 6 DT H71 H 1 1.49 0.01 . 2 . . . . . . . . 4734 2 41 . 2 2 6 6 DT H72 H 1 1.49 0.01 . 2 . . . . . . . . 4734 2 42 . 2 2 6 6 DT H73 H 1 1.49 0.01 . 2 . . . . . . . . 4734 2 43 . 2 2 6 6 DT H1' H 1 5.98 0.01 . 1 . . . . . . . . 4734 2 44 . 2 2 6 6 DT H2' H 1 1.86 0.01 . 1 . . . . . . . . 4734 2 45 . 2 2 6 6 DT H2'' H 1 2.19 0.01 . 1 . . . . . . . . 4734 2 46 . 2 2 6 6 DT H3' H 1 4.79 0.01 . 1 . . . . . . . . 4734 2 47 . 2 2 7 7 DT H6 H 1 7.08 0.01 . 1 . . . . . . . . 4734 2 48 . 2 2 7 7 DT H71 H 1 1.73 0.01 . 2 . . . . . . . . 4734 2 49 . 2 2 7 7 DT H72 H 1 1.73 0.01 . 2 . . . . . . . . 4734 2 50 . 2 2 7 7 DT H73 H 1 1.73 0.01 . 2 . . . . . . . . 4734 2 51 . 2 2 7 7 DT H1' H 1 5.74 0.01 . 1 . . . . . . . . 4734 2 52 . 2 2 7 7 DT H2' H 1 1.75 0.01 . 1 . . . . . . . . 4734 2 53 . 2 2 7 7 DT H2'' H 1 1.91 0.01 . 1 . . . . . . . . 4734 2 54 . 2 2 7 7 DT H3' H 1 4.76 0.01 . 1 . . . . . . . . 4734 2 55 . 2 2 8 8 DA H8 H 1 7.98 0.01 . 1 . . . . . . . . 4734 2 56 . 2 2 8 8 DA H1' H 1 5.77 0.01 . 1 . . . . . . . . 4734 2 57 . 2 2 8 8 DA H2' H 1 2.19 0.01 . 1 . . . . . . . . 4734 2 58 . 2 2 8 8 DA H2'' H 1 2.08 0.01 . 1 . . . . . . . . 4734 2 59 . 2 2 8 8 DA H3' H 1 4.81 0.01 . 1 . . . . . . . . 4734 2 60 . 2 2 9 9 DA H8 H 1 7.86 0.01 . 1 . . . . . . . . 4734 2 61 . 2 2 9 9 DA H1' H 1 5.22 0.01 . 1 . . . . . . . . 4734 2 62 . 2 2 9 9 DA H2' H 1 2.35 0.01 . 1 . . . . . . . . 4734 2 63 . 2 2 9 9 DA H2'' H 1 2.35 0.01 . 1 . . . . . . . . 4734 2 64 . 2 2 9 9 DA H3' H 1 4.84 0.01 . 1 . . . . . . . . 4734 2 65 . 2 2 10 10 DG H1 H 1 12.31 0.01 . 1 . . . . . . . . 4734 2 66 . 2 2 10 10 DG H8 H 1 7.81 0.01 . 1 . . . . . . . . 4734 2 67 . 2 2 10 10 DG H1' H 1 5.20 0.01 . 1 . . . . . . . . 4734 2 68 . 2 2 10 10 DG H2' H 1 2.64 0.01 . 1 . . . . . . . . 4734 2 69 . 2 2 10 10 DG H2'' H 1 2.64 0.01 . 1 . . . . . . . . 4734 2 70 . 2 2 10 10 DG H3' H 1 4.97 0.01 . 1 . . . . . . . . 4734 2 71 . 2 2 11 11 DA H2 H 1 7.71 0.01 . 1 . . . . . . . . 4734 2 72 . 2 2 11 11 DA H8 H 1 8.13 0.01 . 1 . . . . . . . . 4734 2 73 . 2 2 11 11 DA H1' H 1 6.00 0.01 . 1 . . . . . . . . 4734 2 74 . 2 2 11 11 DA H2' H 1 2.71 0.01 . 1 . . . . . . . . 4734 2 75 . 2 2 11 11 DA H2'' H 1 2.82 0.01 . 1 . . . . . . . . 4734 2 76 . 2 2 11 11 DA H3' H 1 5.08 0.01 . 1 . . . . . . . . 4734 2 77 . 2 2 11 11 DA H4' H 1 4.46 0.01 . 1 . . . . . . . . 4734 2 78 . 2 2 12 12 DG H1 H 1 12.87 0.01 . 1 . . . . . . . . 4734 2 79 . 2 2 12 12 DG H8 H 1 7.71 0.01 . 1 . . . . . . . . 4734 2 80 . 2 2 12 12 DG H1' H 1 5.85 0.01 . 1 . . . . . . . . 4734 2 81 . 2 2 12 12 DG H2' H 1 2.56 0.01 . 1 . . . . . . . . 4734 2 82 . 2 2 12 12 DG H2'' H 1 2.69 0.01 . 1 . . . . . . . . 4734 2 83 . 2 2 12 12 DG H3' H 1 4.98 0.01 . 1 . . . . . . . . 4734 2 84 . 2 2 13 13 DC H41 H 1 6.45 0.01 . 1 . . . . . . . . 4734 2 85 . 2 2 13 13 DC H42 H 1 8.25 0.01 . 1 . . . . . . . . 4734 2 86 . 2 2 13 13 DC H5 H 1 5.36 0.01 . 1 . . . . . . . . 4734 2 87 . 2 2 13 13 DC H6 H 1 7.41 0.01 . 1 . . . . . . . . 4734 2 88 . 2 2 13 13 DC H1' H 1 6.06 0.01 . 1 . . . . . . . . 4734 2 89 . 2 2 13 13 DC H2' H 1 2.15 0.01 . 1 . . . . . . . . 4734 2 90 . 2 2 13 13 DC H2'' H 1 2.48 0.01 . 1 . . . . . . . . 4734 2 91 . 2 2 13 13 DC H3' H 1 4.81 0.01 . 1 . . . . . . . . 4734 2 92 . 2 2 14 14 DC H5 H 1 5.81 0.01 . 1 . . . . . . . . 4734 2 93 . 2 2 14 14 DC H6 H 1 7.69 0.01 . 1 . . . . . . . . 4734 2 94 . 2 2 14 14 DC H1' H 1 6.28 0.01 . 1 . . . . . . . . 4734 2 95 . 2 2 14 14 DC H2' H 1 2.29 0.01 . 1 . . . . . . . . 4734 2 96 . 2 2 14 14 DC H2'' H 1 2.29 0.01 . 1 . . . . . . . . 4734 2 97 . 2 2 14 14 DC H3' H 1 4.59 0.01 . 1 . . . . . . . . 4734 2 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_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 4734 _Assigned_chem_shift_list.ID 3 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4734 3 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 . 3 3 1 1 DG H8 H 1 7.86 0.01 . 1 . . . . . . . . 4734 3 2 . 3 3 1 1 DG H1' H 1 5.73 0.01 . 1 . . . . . . . . 4734 3 3 . 3 3 1 1 DG H2' H 1 2.51 0.01 . 1 . . . . . . . . 4734 3 4 . 3 3 1 1 DG H2'' H 1 2.68 0.01 . 1 . . . . . . . . 4734 3 5 . 3 3 1 1 DG H3' H 1 4.81 0.01 . 1 . . . . . . . . 4734 3 6 . 3 3 2 2 DG H1 H 1 13.02 0.01 . 1 . . . . . . . . 4734 3 7 . 3 3 2 2 DG H8 H 1 7.86 0.01 . 1 . . . . . . . . 4734 3 8 . 3 3 2 2 DG H1' H 1 5.99 0.01 . 1 . . . . . . . . 4734 3 9 . 3 3 2 2 DG H2' H 1 2.73 0.01 . 1 . . . . . . . . 4734 3 10 . 3 3 2 2 DG H2'' H 1 2.73 0.01 . 1 . . . . . . . . 4734 3 11 . 3 3 2 2 DG H3' H 1 5.02 0.01 . 1 . . . . . . . . 4734 3 12 . 3 3 3 3 DC H41 H 1 6.53 0.01 . 1 . . . . . . . . 4734 3 13 . 3 3 3 3 DC H42 H 1 8.13 0.01 . 1 . . . . . . . . 4734 3 14 . 3 3 3 3 DC H5 H 1 5.32 0.01 . 1 . . . . . . . . 4734 3 15 . 3 3 3 3 DC H6 H 1 7.41 0.01 . 1 . . . . . . . . 4734 3 16 . 3 3 3 3 DC H1' H 1 6.03 0.01 . 1 . . . . . . . . 4734 3 17 . 3 3 3 3 DC H2' H 1 2.08 0.01 . 1 . . . . . . . . 4734 3 18 . 3 3 3 3 DC H2'' H 1 2.51 0.01 . 1 . . . . . . . . 4734 3 19 . 3 3 3 3 DC H3' H 1 4.93 0.01 . 1 . . . . . . . . 4734 3 20 . 3 3 4 4 DT H3 H 1 13.86 0.01 . 1 . . . . . . . . 4734 3 21 . 3 3 4 4 DT H6 H 1 7.39 0.01 . 1 . . . . . . . . 4734 3 22 . 3 3 4 4 DT H71 H 1 1.59 0.01 . 2 . . . . . . . . 4734 3 23 . 3 3 4 4 DT H72 H 1 1.59 0.01 . 2 . . . . . . . . 4734 3 24 . 3 3 4 4 DT H73 H 1 1.59 0.01 . 2 . . . . . . . . 4734 3 25 . 3 3 4 4 DT H1' H 1 6.06 0.01 . 1 . . . . . . . . 4734 3 26 . 3 3 4 4 DT H2' H 1 2.10 0.01 . 1 . . . . . . . . 4734 3 27 . 3 3 4 4 DT H2'' H 1 2.50 0.01 . 1 . . . . . . . . 4734 3 28 . 3 3 4 4 DT H3' H 1 4.93 0.01 . 1 . . . . . . . . 4734 3 29 . 3 3 5 5 DC H41 H 1 6.90 0.01 . 1 . . . . . . . . 4734 3 30 . 3 3 5 5 DC H42 H 1 8.05 0.01 . 1 . . . . . . . . 4734 3 31 . 3 3 5 5 DC H5 H 1 5.67 0.01 . 1 . . . . . . . . 4734 3 32 . 3 3 5 5 DC H6 H 1 7.52 0.01 . 1 . . . . . . . . 4734 3 33 . 3 3 5 5 DC H1' H 1 6.17 0.01 . 1 . . . . . . . . 4734 3 34 . 3 3 5 5 DC H2' H 1 1.99 0.01 . 1 . . . . . . . . 4734 3 35 . 3 3 5 5 DC H2'' H 1 2.19 0.01 . 1 . . . . . . . . 4734 3 36 . 3 3 5 5 DC H3' H 1 4.96 0.01 . 1 . . . . . . . . 4734 3 37 . 3 3 6 6 DA H8 H 1 8.44 0.01 . 1 . . . . . . . . 4734 3 38 . 3 3 6 6 DA H1' H 1 6.09 0.01 . 1 . . . . . . . . 4734 3 39 . 3 3 6 6 DA H2' H 1 2.87 0.01 . 1 . . . . . . . . 4734 3 40 . 3 3 6 6 DA H2'' H 1 2.95 0.01 . 1 . . . . . . . . 4734 3 41 . 3 3 6 6 DA H3' H 1 5.03 0.01 . 1 . . . . . . . . 4734 3 42 . 3 3 7 7 DA H2 H 1 7.76 0.01 . 1 . . . . . . . . 4734 3 43 . 3 3 7 7 DA H8 H 1 8.16 0.01 . 1 . . . . . . . . 4734 3 44 . 3 3 7 7 DA H1' H 1 6.19 0.01 . 1 . . . . . . . . 4734 3 45 . 3 3 7 7 DA H2' H 1 2.59 0.01 . 1 . . . . . . . . 4734 3 46 . 3 3 7 7 DA H2'' H 1 2.80 0.01 . 1 . . . . . . . . 4734 3 47 . 3 3 7 7 DA H3' H 1 4.93 0.01 . 1 . . . . . . . . 4734 3 48 . 3 3 8 8 DT H3 H 1 13.14 0.01 . 1 . . . . . . . . 4734 3 49 . 3 3 8 8 DT H6 H 1 7.07 0.01 . 1 . . . . . . . . 4734 3 50 . 3 3 8 8 DT H71 H 1 1.48 0.01 . 2 . . . . . . . . 4734 3 51 . 3 3 8 8 DT H72 H 1 1.48 0.01 . 2 . . . . . . . . 4734 3 52 . 3 3 8 8 DT H73 H 1 1.48 0.01 . 2 . . . . . . . . 4734 3 53 . 3 3 8 8 DT H1' H 1 5.61 0.01 . 1 . . . . . . . . 4734 3 54 . 3 3 8 8 DT H2' H 1 1.99 0.01 . 1 . . . . . . . . 4734 3 55 . 3 3 8 8 DT H2'' H 1 2.33 0.01 . 1 . . . . . . . . 4734 3 56 . 3 3 8 8 DT H3' H 1 4.70 0.01 . 1 . . . . . . . . 4734 3 57 . 3 3 9 9 DA H2 H 1 7.33 0.01 . 1 . . . . . . . . 4734 3 58 . 3 3 9 9 DA H8 H 1 8.16 0.01 . 1 . . . . . . . . 4734 3 59 . 3 3 9 9 DA H1' H 1 6.02 0.01 . 1 . . . . . . . . 4734 3 60 . 3 3 9 9 DA H2' H 1 2.59 0.01 . 1 . . . . . . . . 4734 3 61 . 3 3 9 9 DA H2'' H 1 2.84 0.01 . 1 . . . . . . . . 4734 3 62 . 3 3 9 9 DA H3' H 1 4.93 0.01 . 1 . . . . . . . . 4734 3 63 . 3 3 10 10 DT H3 H 1 14.00 0.01 . 1 . . . . . . . . 4734 3 64 . 3 3 10 10 DT H6 H 1 7.27 0.01 . 1 . . . . . . . . 4734 3 65 . 3 3 10 10 DT H71 H 1 1.37 0.01 . 2 . . . . . . . . 4734 3 66 . 3 3 10 10 DT H72 H 1 1.37 0.01 . 2 . . . . . . . . 4734 3 67 . 3 3 10 10 DT H73 H 1 1.37 0.01 . 2 . . . . . . . . 4734 3 68 . 3 3 10 10 DT H1' H 1 5.97 0.01 . 1 . . . . . . . . 4734 3 69 . 3 3 10 10 DT H2' H 1 2.06 0.01 . 1 . . . . . . . . 4734 3 70 . 3 3 10 10 DT H2'' H 1 2.43 0.01 . 1 . . . . . . . . 4734 3 71 . 3 3 10 10 DT H3' H 1 4.87 0.01 . 1 . . . . . . . . 4734 3 72 . 3 3 11 11 DC H41 H 1 6.94 0.01 . 1 . . . . . . . . 4734 3 73 . 3 3 11 11 DC H42 H 1 8.53 0.01 . 1 . . . . . . . . 4734 3 74 . 3 3 11 11 DC H5 H 1 5.68 0.01 . 1 . . . . . . . . 4734 3 75 . 3 3 11 11 DC H6 H 1 7.49 0.01 . 1 . . . . . . . . 4734 3 76 . 3 3 11 11 DC H1' H 1 5.74 0.01 . 1 . . . . . . . . 4734 3 77 . 3 3 11 11 DC H2' H 1 2.02 0.01 . 1 . . . . . . . . 4734 3 78 . 3 3 11 11 DC H2'' H 1 2.40 0.01 . 1 . . . . . . . . 4734 3 79 . 3 3 11 11 DC H3' H 1 4.87 0.01 . 1 . . . . . . . . 4734 3 80 . 3 3 11 11 DC H4' H 1 4.11 0.01 . 1 . . . . . . . . 4734 3 81 . 3 3 12 12 DG H8 H 1 7.96 0.01 . 1 . . . . . . . . 4734 3 82 . 3 3 12 12 DG H1' H 1 6.18 0.01 . 1 . . . . . . . . 4734 3 83 . 3 3 12 12 DG H2' H 1 2.64 0.01 . 1 . . . . . . . . 4734 3 84 . 3 3 12 12 DG H2'' H 1 2.40 0.01 . 1 . . . . . . . . 4734 3 85 . 3 3 12 12 DG H3' H 1 4.70 0.01 . 1 . . . . . . . . 4734 3 stop_ save_