################################### # 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_ncp7 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ncp7 _Assigned_chem_shift_list.Entry_ID 4781 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 '2D NOESY' . . . 4781 1 2 '2D TOCSY' . . . 4781 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 . 2 2 3 3 LYS H H 1 8.649 0.02 . 1 . . . . . . . . 4781 1 2 . 2 2 3 3 LYS HA H 1 4.349 0.02 . 1 . . . . . . . . 4781 1 3 . 2 2 3 3 LYS HB2 H 1 1.815 0.02 . 1 . . . . . . . . 4781 1 4 . 2 2 3 3 LYS HB3 H 1 1.815 0.02 . 1 . . . . . . . . 4781 1 5 . 2 2 3 3 LYS HG2 H 1 1.468 0.02 . 1 . . . . . . . . 4781 1 6 . 2 2 3 3 LYS HG3 H 1 1.468 0.02 . 1 . . . . . . . . 4781 1 7 . 2 2 3 3 LYS HD2 H 1 4.695 0.02 . 1 . . . . . . . . 4781 1 8 . 2 2 3 3 LYS HD3 H 1 4.695 0.02 . 1 . . . . . . . . 4781 1 9 . 2 2 3 3 LYS HE2 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1 10 . 2 2 3 3 LYS HE3 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1 11 . 2 2 3 3 LYS CA C 13 56.675 0.20 . 1 . . . . . . . . 4781 1 12 . 2 2 3 3 LYS CB C 13 33.182 0.20 . 1 . . . . . . . . 4781 1 13 . 2 2 3 3 LYS CG C 13 24.835 0.20 . 1 . . . . . . . . 4781 1 14 . 2 2 3 3 LYS CD C 13 29.208 0.20 . 1 . . . . . . . . 4781 1 15 . 2 2 3 3 LYS CE C 13 42.026 0.20 . 1 . . . . . . . . 4781 1 16 . 2 2 3 3 LYS N N 15 123.627 0.20 . 1 . . . . . . . . 4781 1 17 . 2 2 4 4 GLY H H 1 8.573 0.02 . 1 . . . . . . . . 4781 1 18 . 2 2 4 4 GLY HA2 H 1 3.903 0.02 . 1 . . . . . . . . 4781 1 19 . 2 2 4 4 GLY HA3 H 1 3.903 0.02 . 1 . . . . . . . . 4781 1 20 . 2 2 4 4 GLY CA C 13 45.482 0.20 . 1 . . . . . . . . 4781 1 21 . 2 2 4 4 GLY N N 15 110.133 0.20 . 1 . . . . . . . . 4781 1 22 . 2 2 5 5 ASN H H 1 8.327 0.02 . 1 . . . . . . . . 4781 1 23 . 2 2 5 5 ASN HA H 1 4.675 0.02 . 1 . . . . . . . . 4781 1 24 . 2 2 5 5 ASN HB2 H 1 2.698 0.02 . 1 . . . . . . . . 4781 1 25 . 2 2 5 5 ASN HB3 H 1 2.698 0.02 . 1 . . . . . . . . 4781 1 26 . 2 2 5 5 ASN HD21 H 1 6.950 0.02 . 1 . . . . . . . . 4781 1 27 . 2 2 5 5 ASN HD22 H 1 7.570 0.02 . 1 . . . . . . . . 4781 1 28 . 2 2 5 5 ASN CA C 13 53.272 0.20 . 1 . . . . . . . . 4781 1 29 . 2 2 5 5 ASN CB C 13 38.875 0.20 . 1 . . . . . . . . 4781 1 30 . 2 2 5 5 ASN N N 15 118.858 0.20 . 1 . . . . . . . . 4781 1 31 . 2 2 5 5 ASN ND2 N 15 113.102 0.20 . 1 . . . . . . . . 4781 1 32 . 2 2 6 6 PHE H H 1 8.248 0.02 . 1 . . . . . . . . 4781 1 33 . 2 2 6 6 PHE HA H 1 4.578 0.02 . 1 . . . . . . . . 4781 1 34 . 2 2 6 6 PHE HB2 H 1 3.017 0.02 . 1 . . . . . . . . 4781 1 35 . 2 2 6 6 PHE HB3 H 1 3.168 0.02 . 1 . . . . . . . . 4781 1 36 . 2 2 6 6 PHE HD1 H 1 7.226 0.02 . 1 . . . . . . . . 4781 1 37 . 2 2 6 6 PHE HD2 H 1 7.226 0.02 . 1 . . . . . . . . 4781 1 38 . 2 2 6 6 PHE HE1 H 1 7.320 0.02 . 1 . . . . . . . . 4781 1 39 . 2 2 6 6 PHE HE2 H 1 7.320 0.02 . 1 . . . . . . . . 4781 1 40 . 2 2 6 6 PHE HZ H 1 7.255 0.02 . 1 . . . . . . . . 4781 1 41 . 2 2 6 6 PHE CA C 13 57.968 0.20 . 1 . . . . . . . . 4781 1 42 . 2 2 6 6 PHE CB C 13 38.771 0.20 . 1 . . . . . . . . 4781 1 43 . 2 2 6 6 PHE CD1 C 13 131.594 0.20 . 1 . . . . . . . . 4781 1 44 . 2 2 6 6 PHE CD2 C 13 131.594 0.20 . 1 . . . . . . . . 4781 1 45 . 2 2 6 6 PHE CE1 C 13 130.918 0.20 . 1 . . . . . . . . 4781 1 46 . 2 2 6 6 PHE CE2 C 13 130.918 0.20 . 1 . . . . . . . . 4781 1 47 . 2 2 6 6 PHE CZ C 13 129.374 0.20 . 1 . . . . . . . . 4781 1 48 . 2 2 6 6 PHE N N 15 120.257 0.20 . 1 . . . . . . . . 4781 1 49 . 2 2 7 7 ARG H H 1 8.197 0.02 . 1 . . . . . . . . 4781 1 50 . 2 2 7 7 ARG HA H 1 4.224 0.02 . 1 . . . . . . . . 4781 1 51 . 2 2 7 7 ARG HB2 H 1 1.766 0.02 . 1 . . . . . . . . 4781 1 52 . 2 2 7 7 ARG HB3 H 1 1.766 0.02 . 1 . . . . . . . . 4781 1 53 . 2 2 7 7 ARG HG2 H 1 1.545 0.02 . 1 . . . . . . . . 4781 1 54 . 2 2 7 7 ARG HG3 H 1 1.545 0.02 . 1 . . . . . . . . 4781 1 55 . 2 2 7 7 ARG HD2 H 1 3.181 0.02 . 1 . . . . . . . . 4781 1 56 . 2 2 7 7 ARG HD3 H 1 3.181 0.02 . 1 . . . . . . . . 4781 1 57 . 2 2 7 7 ARG CA C 13 56.666 0.20 . 1 . . . . . . . . 4781 1 58 . 2 2 7 7 ARG CB C 13 30.747 0.20 . 1 . . . . . . . . 4781 1 59 . 2 2 7 7 ARG CG C 13 27.161 0.20 . 1 . . . . . . . . 4781 1 60 . 2 2 7 7 ARG CD C 13 43.333 0.20 . 1 . . . . . . . . 4781 1 61 . 2 2 7 7 ARG N N 15 121.920 0.20 . 1 . . . . . . . . 4781 1 62 . 2 2 8 8 ASN H H 1 8.445 0.02 . 1 . . . . . . . . 4781 1 63 . 2 2 8 8 ASN HA H 1 4.676 0.02 . 1 . . . . . . . . 4781 1 64 . 2 2 8 8 ASN HB2 H 1 2.792 0.02 . 1 . . . . . . . . 4781 1 65 . 2 2 8 8 ASN HB3 H 1 2.792 0.02 . 1 . . . . . . . . 4781 1 66 . 2 2 8 8 ASN HD21 H 1 7.074 0.02 . 1 . . . . . . . . 4781 1 67 . 2 2 8 8 ASN HD22 H 1 7.717 0.02 . 1 . . . . . . . . 4781 1 68 . 2 2 8 8 ASN CA C 13 53.576 0.20 . 1 . . . . . . . . 4781 1 69 . 2 2 8 8 ASN CB C 13 38.626 0.20 . 1 . . . . . . . . 4781 1 70 . 2 2 8 8 ASN N N 15 119.246 0.20 . 1 . . . . . . . . 4781 1 71 . 2 2 8 8 ASN ND2 N 15 113.303 0.20 . 1 . . . . . . . . 4781 1 72 . 2 2 9 9 GLN H H 1 8.278 0.02 . 1 . . . . . . . . 4781 1 73 . 2 2 9 9 GLN HA H 1 4.290 0.02 . 1 . . . . . . . . 4781 1 74 . 2 2 9 9 GLN HB2 H 1 1.965 0.02 . 1 . . . . . . . . 4781 1 75 . 2 2 9 9 GLN HB3 H 1 1.965 0.02 . 1 . . . . . . . . 4781 1 76 . 2 2 9 9 GLN HG2 H 1 2.342 0.02 . 1 . . . . . . . . 4781 1 77 . 2 2 9 9 GLN HG3 H 1 2.342 0.02 . 1 . . . . . . . . 4781 1 78 . 2 2 9 9 GLN HE21 H 1 6.870 0.02 . 1 . . . . . . . . 4781 1 79 . 2 2 9 9 GLN HE22 H 1 7.539 0.02 . 1 . . . . . . . . 4781 1 80 . 2 2 9 9 GLN CA C 13 56.062 0.20 . 1 . . . . . . . . 4781 1 81 . 2 2 9 9 GLN CB C 13 29.469 0.20 . 1 . . . . . . . . 4781 1 82 . 2 2 9 9 GLN CG C 13 33.912 0.20 . 1 . . . . . . . . 4781 1 83 . 2 2 9 9 GLN N N 15 120.277 0.20 . 1 . . . . . . . . 4781 1 84 . 2 2 9 9 GLN NE2 N 15 112.564 0.20 . 1 . . . . . . . . 4781 1 85 . 2 2 10 10 ARG H H 1 8.249 0.02 . 1 . . . . . . . . 4781 1 86 . 2 2 10 10 ARG HA H 1 4.228 0.02 . 1 . . . . . . . . 4781 1 87 . 2 2 10 10 ARG HB2 H 1 1.764 0.02 . 1 . . . . . . . . 4781 1 88 . 2 2 10 10 ARG HB3 H 1 1.764 0.02 . 1 . . . . . . . . 4781 1 89 . 2 2 10 10 ARG HG2 H 1 1.588 0.02 . 1 . . . . . . . . 4781 1 90 . 2 2 10 10 ARG HG3 H 1 1.588 0.02 . 1 . . . . . . . . 4781 1 91 . 2 2 10 10 ARG HD2 H 1 3.179 0.02 . 1 . . . . . . . . 4781 1 92 . 2 2 10 10 ARG HD3 H 1 3.179 0.02 . 1 . . . . . . . . 4781 1 93 . 2 2 10 10 ARG CA C 13 56.923 0.20 . 1 . . . . . . . . 4781 1 94 . 2 2 10 10 ARG CB C 13 30.785 0.20 . 1 . . . . . . . . 4781 1 95 . 2 2 10 10 ARG CG C 13 27.204 0.20 . 1 . . . . . . . . 4781 1 96 . 2 2 10 10 ARG CD C 13 43.454 0.20 . 1 . . . . . . . . 4781 1 97 . 2 2 10 10 ARG N N 15 121.477 0.20 . 1 . . . . . . . . 4781 1 98 . 2 2 11 11 LYS HA H 1 4.290 0.02 . 1 . . . . . . . . 4781 1 99 . 2 2 11 11 LYS HB2 H 1 1.752 0.02 . 1 . . . . . . . . 4781 1 100 . 2 2 11 11 LYS HB3 H 1 1.752 0.02 . 1 . . . . . . . . 4781 1 101 . 2 2 11 11 LYS HG2 H 1 1.348 0.02 . 1 . . . . . . . . 4781 1 102 . 2 2 11 11 LYS HG3 H 1 1.348 0.02 . 1 . . . . . . . . 4781 1 103 . 2 2 11 11 LYS HD2 H 1 1.646 0.02 . 1 . . . . . . . . 4781 1 104 . 2 2 11 11 LYS HD3 H 1 1.646 0.02 . 1 . . . . . . . . 4781 1 105 . 2 2 11 11 LYS HE2 H 1 2.939 0.02 . 1 . . . . . . . . 4781 1 106 . 2 2 11 11 LYS HE3 H 1 2.939 0.02 . 1 . . . . . . . . 4781 1 107 . 2 2 11 11 LYS CA C 13 56.112 0.20 . 1 . . . . . . . . 4781 1 108 . 2 2 11 11 LYS CB C 13 33.085 0.20 . 1 . . . . . . . . 4781 1 109 . 2 2 11 11 LYS CG C 13 24.904 0.20 . 1 . . . . . . . . 4781 1 110 . 2 2 11 11 LYS CD C 13 29.251 0.20 . 1 . . . . . . . . 4781 1 111 . 2 2 11 11 LYS CE C 13 42.292 0.20 . 1 . . . . . . . . 4781 1 112 . 2 2 12 12 THR H H 1 7.909 0.02 . 1 . . . . . . . . 4781 1 113 . 2 2 12 12 THR HA H 1 4.199 0.02 . 1 . . . . . . . . 4781 1 114 . 2 2 12 12 THR HB H 1 4.058 0.02 . 1 . . . . . . . . 4781 1 115 . 2 2 12 12 THR HG21 H 1 1.037 0.02 . 1 . . . . . . . . 4781 1 116 . 2 2 12 12 THR HG22 H 1 1.037 0.02 . 1 . . . . . . . . 4781 1 117 . 2 2 12 12 THR HG23 H 1 1.037 0.02 . 1 . . . . . . . . 4781 1 118 . 2 2 12 12 THR CA C 13 61.535 0.20 . 1 . . . . . . . . 4781 1 119 . 2 2 12 12 THR CB C 13 629.206 0.20 . 1 . . . . . . . . 4781 1 120 . 2 2 12 12 THR CG2 C 13 21.73 0.20 . 1 . . . . . . . . 4781 1 121 . 2 2 12 12 THR N N 15 114.428 0.20 . 1 . . . . . . . . 4781 1 122 . 2 2 13 13 VAL H H 1 7.958 0.02 . 1 . . . . . . . . 4781 1 123 . 2 2 13 13 VAL HA H 1 3.906 0.02 . 1 . . . . . . . . 4781 1 124 . 2 2 13 13 VAL HB H 1 1.676 0.02 . 1 . . . . . . . . 4781 1 125 . 2 2 13 13 VAL HG11 H 1 0.487 0.02 . 1 . . . . . . . . 4781 1 126 . 2 2 13 13 VAL HG12 H 1 0.487 0.02 . 1 . . . . . . . . 4781 1 127 . 2 2 13 13 VAL HG13 H 1 0.487 0.02 . 1 . . . . . . . . 4781 1 128 . 2 2 13 13 VAL HG21 H 1 0.538 0.02 . 1 . . . . . . . . 4781 1 129 . 2 2 13 13 VAL HG22 H 1 0.538 0.02 . 1 . . . . . . . . 4781 1 130 . 2 2 13 13 VAL HG23 H 1 0.538 0.02 . 1 . . . . . . . . 4781 1 131 . 2 2 13 13 VAL CA C 13 61.267 0.20 . 1 . . . . . . . . 4781 1 132 . 2 2 13 13 VAL CB C 13 33.254 0.20 . 1 . . . . . . . . 4781 1 133 . 2 2 13 13 VAL CG1 C 13 20.030 0.20 . 1 . . . . . . . . 4781 1 134 . 2 2 13 13 VAL CG2 C 13 20.669 0.20 . 1 . . . . . . . . 4781 1 135 . 2 2 13 13 VAL N N 15 123.800 0.20 . 1 . . . . . . . . 4781 1 136 . 2 2 14 14 LYS H H 1 8.250 0.02 . 1 . . . . . . . . 4781 1 137 . 2 2 14 14 LYS HA H 1 4.213 0.02 . 1 . . . . . . . . 4781 1 138 . 2 2 14 14 LYS HB2 H 1 1.282 0.02 . 1 . . . . . . . . 4781 1 139 . 2 2 14 14 LYS HB3 H 1 1.282 0.02 . 1 . . . . . . . . 4781 1 140 . 2 2 14 14 LYS HG2 H 1 0.712 0.02 . 1 . . . . . . . . 4781 1 141 . 2 2 14 14 LYS HG3 H 1 0.712 0.02 . 1 . . . . . . . . 4781 1 142 . 2 2 14 14 LYS HD2 H 1 1.249 0.02 . 1 . . . . . . . . 4781 1 143 . 2 2 14 14 LYS HD3 H 1 1.249 0.02 . 1 . . . . . . . . 4781 1 144 . 2 2 14 14 LYS CA C 13 54.538 0.20 . 1 . . . . . . . . 4781 1 145 . 2 2 14 14 LYS CB C 13 34.577 0.20 . 1 . . . . . . . . 4781 1 146 . 2 2 14 14 LYS CG C 13 24.354 0.20 . 1 . . . . . . . . 4781 1 147 . 2 2 14 14 LYS CD C 13 29.436 0.20 . 1 . . . . . . . . 4781 1 148 . 2 2 14 14 LYS N N 15 125.503 0.20 . 1 . . . . . . . . 4781 1 149 . 2 2 15 15 CYS H H 1 8.373 0.02 . 1 . . . . . . . . 4781 1 150 . 2 2 15 15 CYS HA H 1 4.237 0.02 . 1 . . . . . . . . 4781 1 151 . 2 2 15 15 CYS HB2 H 1 1.479 0.02 . 1 . . . . . . . . 4781 1 152 . 2 2 15 15 CYS HB3 H 1 2.550 0.02 . 1 . . . . . . . . 4781 1 153 . 2 2 15 15 CYS CA C 13 59.224 0.20 . 1 . . . . . . . . 4781 1 154 . 2 2 15 15 CYS CB C 13 30.358 0.20 . 1 . . . . . . . . 4781 1 155 . 2 2 15 15 CYS N N 15 129.259 0.20 . 1 . . . . . . . . 4781 1 156 . 2 2 16 16 PHE H H 1 9.198 0.02 . 1 . . . . . . . . 4781 1 157 . 2 2 16 16 PHE HA H 1 5.062 0.02 . 1 . . . . . . . . 4781 1 158 . 2 2 16 16 PHE HB2 H 1 2.557 0.02 . 1 . . . . . . . . 4781 1 159 . 2 2 16 16 PHE HB3 H 1 3.521 0.02 . 1 . . . . . . . . 4781 1 160 . 2 2 16 16 PHE HD2 H 1 6.642 0.02 . 1 . . . . . . . . 4781 1 161 . 2 2 16 16 PHE HE2 H 1 6.588 0.02 . 1 . . . . . . . . 4781 1 162 . 2 2 16 16 PHE HZ H 1 5.832 0.02 . 1 . . . . . . . . 4781 1 163 . 2 2 16 16 PHE CA C 13 54.436 0.20 . 1 . . . . . . . . 4781 1 164 . 2 2 16 16 PHE CB C 13 36.390 0.20 . 1 . . . . . . . . 4781 1 165 . 2 2 16 16 PHE CD1 C 13 129.068 0.20 . 1 . . . . . . . . 4781 1 166 . 2 2 16 16 PHE CD2 C 13 129.068 0.20 . 1 . . . . . . . . 4781 1 167 . 2 2 16 16 PHE CE1 C 13 130.027 0.20 . 1 . . . . . . . . 4781 1 168 . 2 2 16 16 PHE CE2 C 13 130.027 0.20 . 1 . . . . . . . . 4781 1 169 . 2 2 16 16 PHE CZ C 13 128.929 0.20 . 1 . . . . . . . . 4781 1 170 . 2 2 16 16 PHE N N 15 127.657 0.20 . 1 . . . . . . . . 4781 1 171 . 2 2 17 17 ASN H H 1 10.123 0.02 . 1 . . . . . . . . 4781 1 172 . 2 2 17 17 ASN HA H 1 5.257 0.02 . 1 . . . . . . . . 4781 1 173 . 2 2 17 17 ASN HB2 H 1 2.621 0.02 . 1 . . . . . . . . 4781 1 174 . 2 2 17 17 ASN HB3 H 1 3.240 0.02 . 1 . . . . . . . . 4781 1 175 . 2 2 17 17 ASN HD21 H 1 6.829 0.02 . 1 . . . . . . . . 4781 1 176 . 2 2 17 17 ASN HD22 H 1 8.817 0.02 . 1 . . . . . . . . 4781 1 177 . 2 2 17 17 ASN CA C 13 56.858 0.20 . 1 . . . . . . . . 4781 1 178 . 2 2 17 17 ASN CB C 13 40.615 0.20 . 1 . . . . . . . . 4781 1 179 . 2 2 17 17 ASN N N 15 122.178 0.20 . 1 . . . . . . . . 4781 1 180 . 2 2 17 17 ASN ND2 N 15 118.711 0.20 . 1 . . . . . . . . 4781 1 181 . 2 2 18 18 CYS H H 1 8.764 0.02 . 1 . . . . . . . . 4781 1 182 . 2 2 18 18 CYS HA H 1 4.887 0.02 . 1 . . . . . . . . 4781 1 183 . 2 2 18 18 CYS HB2 H 1 2.543 0.02 . 1 . . . . . . . . 4781 1 184 . 2 2 18 18 CYS HB3 H 1 3.233 0.02 . 1 . . . . . . . . 4781 1 185 . 2 2 18 18 CYS CA C 13 58.568 0.20 . 1 . . . . . . . . 4781 1 186 . 2 2 18 18 CYS CB C 13 32.434 0.20 . 1 . . . . . . . . 4781 1 187 . 2 2 18 18 CYS N N 15 117.322 0.20 . 1 . . . . . . . . 4781 1 188 . 2 2 19 19 GLY H H 1 7.317 0.02 . 1 . . . . . . . . 4781 1 189 . 2 2 19 19 GLY HA2 H 1 2.208 0.02 . 1 . . . . . . . . 4781 1 190 . 2 2 19 19 GLY HA3 H 1 2.813 0.02 . 1 . . . . . . . . 4781 1 191 . 2 2 19 19 GLY CA C 13 45.053 0.20 . 1 . . . . . . . . 4781 1 192 . 2 2 19 19 GLY N N 15 114.627 0.20 . 1 . . . . . . . . 4781 1 193 . 2 2 20 20 LYS H H 1 7.918 0.02 . 1 . . . . . . . . 4781 1 194 . 2 2 20 20 LYS HA H 1 4.295 0.02 . 1 . . . . . . . . 4781 1 195 . 2 2 20 20 LYS HB2 H 1 1.771 0.02 . 1 . . . . . . . . 4781 1 196 . 2 2 20 20 LYS HB3 H 1 1.771 0.02 . 1 . . . . . . . . 4781 1 197 . 2 2 20 20 LYS HG2 H 1 1.365 0.02 . 1 . . . . . . . . 4781 1 198 . 2 2 20 20 LYS HG3 H 1 1.365 0.02 . 1 . . . . . . . . 4781 1 199 . 2 2 20 20 LYS HD2 H 1 1.595 0.02 . 1 . . . . . . . . 4781 1 200 . 2 2 20 20 LYS HD3 H 1 1.595 0.02 . 1 . . . . . . . . 4781 1 201 . 2 2 20 20 LYS HE2 H 1 2.979 0.02 . 1 . . . . . . . . 4781 1 202 . 2 2 20 20 LYS HE3 H 1 2.979 0.02 . 1 . . . . . . . . 4781 1 203 . 2 2 20 20 LYS CA C 13 55.374 0.20 . 1 . . . . . . . . 4781 1 204 . 2 2 20 20 LYS CB C 13 33.306 0.20 . 1 . . . . . . . . 4781 1 205 . 2 2 20 20 LYS CG C 13 25.697 0.20 . 1 . . . . . . . . 4781 1 206 . 2 2 20 20 LYS CD C 13 28.575 0.20 . 1 . . . . . . . . 4781 1 207 . 2 2 20 20 LYS CE C 13 42.279 0.20 . 1 . . . . . . . . 4781 1 208 . 2 2 20 20 LYS N N 15 120.796 0.20 . 1 . . . . . . . . 4781 1 209 . 2 2 21 21 GLU H H 1 8.131 0.02 . 1 . . . . . . . . 4781 1 210 . 2 2 21 21 GLU HA H 1 4.672 0.02 . 1 . . . . . . . . 4781 1 211 . 2 2 21 21 GLU HB2 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1 212 . 2 2 21 21 GLU HB3 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1 213 . 2 2 21 21 GLU HG2 H 1 2.066 0.02 . 1 . . . . . . . . 4781 1 214 . 2 2 21 21 GLU HG3 H 1 2.066 0.02 . 1 . . . . . . . . 4781 1 215 . 2 2 21 21 GLU CA C 13 55.824 0.20 . 1 . . . . . . . . 4781 1 216 . 2 2 21 21 GLU CB C 13 31.250 0.20 . 1 . . . . . . . . 4781 1 217 . 2 2 21 21 GLU CG C 13 36.732 0.20 . 1 . . . . . . . . 4781 1 218 . 2 2 21 21 GLU N N 15 117.424 0.20 . 1 . . . . . . . . 4781 1 219 . 2 2 22 22 GLY H H 1 8.930 0.02 . 1 . . . . . . . . 4781 1 220 . 2 2 22 22 GLY HA2 H 1 3.654 0.02 . 1 . . . . . . . . 4781 1 221 . 2 2 22 22 GLY HA3 H 1 4.404 0.02 . 1 . . . . . . . . 4781 1 222 . 2 2 22 22 GLY CA C 13 45.730 0.20 . 1 . . . . . . . . 4781 1 223 . 2 2 22 22 GLY N N 15 107.257 0.20 . 1 . . . . . . . . 4781 1 224 . 2 2 23 23 HIS H H 1 7.078 0.02 . 1 . . . . . . . . 4781 1 225 . 2 2 23 23 HIS HA H 1 4.584 0.02 . 1 . . . . . . . . 4781 1 226 . 2 2 23 23 HIS HB2 H 1 3.065 0.02 . 1 . . . . . . . . 4781 1 227 . 2 2 23 23 HIS HB3 H 1 3.065 0.02 . 1 . . . . . . . . 4781 1 228 . 2 2 23 23 HIS HD2 H 1 6.873 0.02 . 1 . . . . . . . . 4781 1 229 . 2 2 23 23 HIS HE1 H 1 7.253 0.02 . 1 . . . . . . . . 4781 1 230 . 2 2 23 23 HIS CA C 13 55.141 0.20 . 1 . . . . . . . . 4781 1 231 . 2 2 23 23 HIS CB C 13 29.935 0.20 . 1 . . . . . . . . 4781 1 232 . 2 2 23 23 HIS CD2 C 13 127.398 0.20 . 1 . . . . . . . . 4781 1 233 . 2 2 23 23 HIS CE1 C 13 137.002 0.20 . 1 . . . . . . . . 4781 1 234 . 2 2 23 23 HIS N N 15 114.742 0.20 . 1 . . . . . . . . 4781 1 235 . 2 2 24 24 ILE H H 1 7.571 0.02 . 1 . . . . . . . . 4781 1 236 . 2 2 24 24 ILE HA H 1 4.573 0.02 . 1 . . . . . . . . 4781 1 237 . 2 2 24 24 ILE HB H 1 1.334 0.02 . 1 . . . . . . . . 4781 1 238 . 2 2 24 24 ILE HG12 H 1 0.904 0.02 . 1 . . . . . . . . 4781 1 239 . 2 2 24 24 ILE HG13 H 1 0.904 0.02 . 1 . . . . . . . . 4781 1 240 . 2 2 24 24 ILE HG21 H 1 0.219 0.02 . 1 . . . . . . . . 4781 1 241 . 2 2 24 24 ILE HG22 H 1 0.219 0.02 . 1 . . . . . . . . 4781 1 242 . 2 2 24 24 ILE HG23 H 1 0.219 0.02 . 1 . . . . . . . . 4781 1 243 . 2 2 24 24 ILE HD11 H 1 0.476 0.02 . 1 . . . . . . . . 4781 1 244 . 2 2 24 24 ILE HD12 H 1 0.476 0.02 . 1 . . . . . . . . 4781 1 245 . 2 2 24 24 ILE HD13 H 1 0.476 0.02 . 1 . . . . . . . . 4781 1 246 . 2 2 24 24 ILE CA C 13 59.403 0.20 . 1 . . . . . . . . 4781 1 247 . 2 2 24 24 ILE CB C 13 41.394 0.20 . 1 . . . . . . . . 4781 1 248 . 2 2 24 24 ILE CG1 C 13 25.449 0.20 . 1 . . . . . . . . 4781 1 249 . 2 2 24 24 ILE CG2 C 13 17.892 0.20 . 1 . . . . . . . . 4781 1 250 . 2 2 24 24 ILE CD1 C 13 13.746 0.20 . 1 . . . . . . . . 4781 1 251 . 2 2 24 24 ILE N N 15 105.865 0.20 . 1 . . . . . . . . 4781 1 252 . 2 2 25 25 ALA H H 1 8.941 0.02 . 1 . . . . . . . . 4781 1 253 . 2 2 25 25 ALA HA H 1 4.516 0.02 . 1 . . . . . . . . 4781 1 254 . 2 2 25 25 ALA HB1 H 1 1.620 0.02 . 1 . . . . . . . . 4781 1 255 . 2 2 25 25 ALA HB2 H 1 1.620 0.02 . 1 . . . . . . . . 4781 1 256 . 2 2 25 25 ALA HB3 H 1 1.620 0.02 . 1 . . . . . . . . 4781 1 257 . 2 2 25 25 ALA CA C 13 56.512 0.20 . 1 . . . . . . . . 4781 1 258 . 2 2 25 25 ALA CB C 13 39.146 0.20 . 1 . . . . . . . . 4781 1 259 . 2 2 25 25 ALA N N 15 124.450 0.20 . 1 . . . . . . . . 4781 1 260 . 2 2 26 26 LYS H H 1 8.637 0.02 . 1 . . . . . . . . 4781 1 261 . 2 2 26 26 LYS HA H 1 4.189 0.02 . 1 . . . . . . . . 4781 1 262 . 2 2 26 26 LYS HB2 H 1 1.577 0.02 . 1 . . . . . . . . 4781 1 263 . 2 2 26 26 LYS HB3 H 1 1.866 0.02 . 1 . . . . . . . . 4781 1 264 . 2 2 26 26 LYS HG2 H 1 1.288 0.02 . 1 . . . . . . . . 4781 1 265 . 2 2 26 26 LYS HG3 H 1 1.288 0.02 . 1 . . . . . . . . 4781 1 266 . 2 2 26 26 LYS HD2 H 1 1.662 0.02 . 1 . . . . . . . . 4781 1 267 . 2 2 26 26 LYS HD3 H 1 1.662 0.02 . 1 . . . . . . . . 4781 1 268 . 2 2 26 26 LYS HE2 H 1 2.974 0.02 . 1 . . . . . . . . 4781 1 269 . 2 2 26 26 LYS HE3 H 1 2.974 0.02 . 1 . . . . . . . . 4781 1 270 . 2 2 26 26 LYS CA C 13 58.624 0.20 . 1 . . . . . . . . 4781 1 271 . 2 2 26 26 LYS CB C 13 32.000 0.20 . 1 . . . . . . . . 4781 1 272 . 2 2 26 26 LYS CG C 13 23.765 0.20 . 1 . . . . . . . . 4781 1 273 . 2 2 26 26 LYS CD C 13 29.345 0.20 . 1 . . . . . . . . 4781 1 274 . 2 2 26 26 LYS CE C 13 41.910 0.20 . 1 . . . . . . . . 4781 1 275 . 2 2 26 26 LYS N N 15 117.870 0.20 . 1 . . . . . . . . 4781 1 276 . 2 2 27 27 ASN H H 1 7.964 0.02 . 1 . . . . . . . . 4781 1 277 . 2 2 27 27 ASN HA H 1 5.051 0.02 . 1 . . . . . . . . 4781 1 278 . 2 2 27 27 ASN HB2 H 1 2.464 0.02 . 1 . . . . . . . . 4781 1 279 . 2 2 27 27 ASN HB3 H 1 3.040 0.02 . 1 . . . . . . . . 4781 1 280 . 2 2 27 27 ASN HD21 H 1 7.011 0.02 . 1 . . . . . . . . 4781 1 281 . 2 2 27 27 ASN HD22 H 1 7.954 0.02 . 1 . . . . . . . . 4781 1 282 . 2 2 27 27 ASN CA C 13 52.031 0.20 . 1 . . . . . . . . 4781 1 283 . 2 2 27 27 ASN CB C 13 40.087 0.20 . 1 . . . . . . . . 4781 1 284 . 2 2 27 27 ASN N N 15 114.850 0.20 . 1 . . . . . . . . 4781 1 285 . 2 2 27 27 ASN ND2 N 15 113.560 0.20 . 1 . . . . . . . . 4781 1 286 . 2 2 28 28 CYS H H 1 7.760 0.02 . 1 . . . . . . . . 4781 1 287 . 2 2 28 28 CYS HA H 1 3.752 0.02 . 1 . . . . . . . . 4781 1 288 . 2 2 28 28 CYS HB2 H 1 3.320 0.02 . 1 . . . . . . . . 4781 1 289 . 2 2 28 28 CYS HB3 H 1 3.018 0.02 . 1 . . . . . . . . 4781 1 290 . 2 2 28 28 CYS CA C 13 61.847 0.20 . 2 . . . . . . . . 4781 1 291 . 2 2 28 28 CYS CB C 13 30.962 0.20 . 1 . . . . . . . . 4781 1 292 . 2 2 28 28 CYS N N 15 128.299 0.20 . 1 . . . . . . . . 4781 1 293 . 2 2 29 29 ARG H H 1 8.788 0.02 . 1 . . . . . . . . 4781 1 294 . 2 2 29 29 ARG HA H 1 4.424 0.02 . 1 . . . . . . . . 4781 1 295 . 2 2 29 29 ARG HB2 H 1 1.942 0.02 . 1 . . . . . . . . 4781 1 296 . 2 2 29 29 ARG HB3 H 1 1.520 0.02 . 1 . . . . . . . . 4781 1 297 . 2 2 29 29 ARG HG2 H 1 1.479 0.02 . 1 . . . . . . . . 4781 1 298 . 2 2 29 29 ARG HG3 H 1 1.479 0.02 . 1 . . . . . . . . 4781 1 299 . 2 2 29 29 ARG HD2 H 1 3.031 0.02 . 1 . . . . . . . . 4781 1 300 . 2 2 29 29 ARG HD3 H 1 3.031 0.02 . 1 . . . . . . . . 4781 1 301 . 2 2 29 29 ARG CA C 13 55.668 0.20 . 1 . . . . . . . . 4781 1 302 . 2 2 29 29 ARG CB C 13 30.122 0.20 . 1 . . . . . . . . 4781 1 303 . 2 2 29 29 ARG CG C 13 27.201 0.20 . 1 . . . . . . . . 4781 1 304 . 2 2 29 29 ARG CD C 13 42.956 0.20 . 1 . . . . . . . . 4781 1 305 . 2 2 29 29 ARG N N 15 117.992 0.20 . 1 . . . . . . . . 4781 1 306 . 2 2 30 30 ALA H H 1 8.756 0.02 . 1 . . . . . . . . 4781 1 307 . 2 2 30 30 ALA HA H 1 4.571 0.02 . 1 . . . . . . . . 4781 1 308 . 2 2 30 30 ALA HB1 H 1 1.376 0.02 . 1 . . . . . . . . 4781 1 309 . 2 2 30 30 ALA HB2 H 1 1.376 0.02 . 1 . . . . . . . . 4781 1 310 . 2 2 30 30 ALA HB3 H 1 1.376 0.02 . 1 . . . . . . . . 4781 1 311 . 2 2 30 30 ALA CA C 13 50.973 0.20 . 1 . . . . . . . . 4781 1 312 . 2 2 30 30 ALA CB C 13 38.162 0.20 . 1 . . . . . . . . 4781 1 313 . 2 2 30 30 ALA N N 15 128.123 0.20 . 1 . . . . . . . . 4781 1 314 . 2 2 31 31 PRO HA H 1 4.324 0.02 . 1 . . . . . . . . 4781 1 315 . 2 2 31 31 PRO HB2 H 1 1.792 0.02 . 1 . . . . . . . . 4781 1 316 . 2 2 31 31 PRO HB3 H 1 2.307 0.02 . 1 . . . . . . . . 4781 1 317 . 2 2 31 31 PRO HG2 H 1 2.028 0.02 . 1 . . . . . . . . 4781 1 318 . 2 2 31 31 PRO HG3 H 1 2.028 0.02 . 1 . . . . . . . . 4781 1 319 . 2 2 31 31 PRO HD2 H 1 3.600 0.02 . 1 . . . . . . . . 4781 1 320 . 2 2 31 31 PRO HD3 H 1 3.804 0.02 . 1 . . . . . . . . 4781 1 321 . 2 2 31 31 PRO CA C 13 62.918 0.20 . 1 . . . . . . . . 4781 1 322 . 2 2 31 31 PRO CB C 13 31.862 0.20 . 1 . . . . . . . . 4781 1 323 . 2 2 31 31 PRO CG C 13 27.644 0.20 . 1 . . . . . . . . 4781 1 324 . 2 2 31 31 PRO CD C 13 4.987 0.20 . 1 . . . . . . . . 4781 1 325 . 2 2 32 32 ARG H H 1 6.826 0.02 . 1 . . . . . . . . 4781 1 326 . 2 2 32 32 ARG HA H 1 4.529 0.02 . 1 . . . . . . . . 4781 1 327 . 2 2 32 32 ARG HB2 H 1 1.660 0.02 . 1 . . . . . . . . 4781 1 328 . 2 2 32 32 ARG HB3 H 1 1.660 0.02 . 1 . . . . . . . . 4781 1 329 . 2 2 32 32 ARG HG2 H 1 1.614 0.02 . 1 . . . . . . . . 4781 1 330 . 2 2 32 32 ARG HG3 H 1 1.614 0.02 . 1 . . . . . . . . 4781 1 331 . 2 2 32 32 ARG HD2 H 1 3.230 0.02 . 1 . . . . . . . . 4781 1 332 . 2 2 32 32 ARG HD3 H 1 3.230 0.02 . 1 . . . . . . . . 4781 1 333 . 2 2 32 32 ARG CA C 13 55.666 0.20 . 1 . . . . . . . . 4781 1 334 . 2 2 32 32 ARG CB C 13 29.186 0.20 . 1 . . . . . . . . 4781 1 335 . 2 2 32 32 ARG CG C 13 26.983 0.20 . 1 . . . . . . . . 4781 1 336 . 2 2 32 32 ARG CD C 13 43.087 0.20 . 1 . . . . . . . . 4781 1 337 . 2 2 32 32 ARG N N 15 117.992 0.20 . 1 . . . . . . . . 4781 1 338 . 2 2 33 33 LYS H H 1 8.553 0.02 . 1 . . . . . . . . 4781 1 339 . 2 2 33 33 LYS HA H 1 4.669 0.02 . 1 . . . . . . . . 4781 1 340 . 2 2 33 33 LYS HB2 H 1 1.810 0.02 . 1 . . . . . . . . 4781 1 341 . 2 2 33 33 LYS HB3 H 1 1.810 0.02 . 1 . . . . . . . . 4781 1 342 . 2 2 33 33 LYS HG2 H 1 1.365 0.02 . 1 . . . . . . . . 4781 1 343 . 2 2 33 33 LYS HG3 H 1 1.365 0.02 . 1 . . . . . . . . 4781 1 344 . 2 2 33 33 LYS HD2 H 1 1.771 0.02 . 1 . . . . . . . . 4781 1 345 . 2 2 33 33 LYS HD3 H 1 1.771 0.02 . 1 . . . . . . . . 4781 1 346 . 2 2 33 33 LYS HE2 H 1 2.962 0.02 . 1 . . . . . . . . 4781 1 347 . 2 2 33 33 LYS HE3 H 1 2.962 0.02 . 1 . . . . . . . . 4781 1 348 . 2 2 33 33 LYS CA C 13 55.275 0.20 . 1 . . . . . . . . 4781 1 349 . 2 2 33 33 LYS CB C 13 33.776 0.20 . 1 . . . . . . . . 4781 1 350 . 2 2 33 33 LYS CG C 13 24.407 0.20 . 1 . . . . . . . . 4781 1 351 . 2 2 33 33 LYS CD C 13 29.660 0.20 . 1 . . . . . . . . 4781 1 352 . 2 2 33 33 LYS CE C 13 42.097 0.20 . 1 . . . . . . . . 4781 1 353 . 2 2 33 33 LYS N N 15 126.327 0.20 . 1 . . . . . . . . 4781 1 354 . 2 2 34 34 LYS H H 1 8.692 0.02 . 1 . . . . . . . . 4781 1 355 . 2 2 34 34 LYS HA H 1 4.318 0.02 . 1 . . . . . . . . 4781 1 356 . 2 2 34 34 LYS HB2 H 1 1.749 0.02 . 1 . . . . . . . . 4781 1 357 . 2 2 34 34 LYS HB3 H 1 1.749 0.02 . 1 . . . . . . . . 4781 1 358 . 2 2 34 34 LYS HG2 H 1 1.358 0.02 . 1 . . . . . . . . 4781 1 359 . 2 2 34 34 LYS HG3 H 1 1.358 0.02 . 1 . . . . . . . . 4781 1 360 . 2 2 34 34 LYS HD2 H 1 1.622 0.02 . 1 . . . . . . . . 4781 1 361 . 2 2 34 34 LYS HD3 H 1 1.622 0.02 . 1 . . . . . . . . 4781 1 362 . 2 2 34 34 LYS CA C 13 56.366 0.20 . 1 . . . . . . . . 4781 1 363 . 2 2 34 34 LYS CB C 13 31.881 0.20 . 1 . . . . . . . . 4781 1 364 . 2 2 34 34 LYS CG C 13 24.791 0.20 . 1 . . . . . . . . 4781 1 365 . 2 2 34 34 LYS CD C 13 29.034 0.20 . 1 . . . . . . . . 4781 1 366 . 2 2 34 34 LYS N N 15 121.402 0.20 . 2 . . . . . . . . 4781 1 367 . 2 2 35 35 GLY H H 1 8.405 0.02 . 1 . . . . . . . . 4781 1 368 . 2 2 35 35 GLY HA2 H 1 3.314 0.02 . 1 . . . . . . . . 4781 1 369 . 2 2 35 35 GLY HA3 H 1 3.885 0.02 . 1 . . . . . . . . 4781 1 370 . 2 2 35 35 GLY CA C 13 43.671 0.20 . 1 . . . . . . . . 4781 1 371 . 2 2 35 35 GLY N N 15 126.329 0.20 . 1 . . . . . . . . 4781 1 372 . 2 2 36 36 CYS H H 1 8.420 0.02 . 1 . . . . . . . . 4781 1 373 . 2 2 36 36 CYS HA H 1 4.365 0.02 . 1 . . . . . . . . 4781 1 374 . 2 2 36 36 CYS HB2 H 1 2.832 0.02 . 1 . . . . . . . . 4781 1 375 . 2 2 36 36 CYS HB3 H 1 1.995 0.02 . 1 . . . . . . . . 4781 1 376 . 2 2 36 36 CYS CA C 13 59.541 0.20 . 1 . . . . . . . . 4781 1 377 . 2 2 36 36 CYS CB C 13 30.442 0.20 . 1 . . . . . . . . 4781 1 378 . 2 2 36 36 CYS N N 15 126.389 0.20 . 1 . . . . . . . . 4781 1 379 . 2 2 37 37 TRP H H 1 9.085 0.02 . 1 . . . . . . . . 4781 1 380 . 2 2 37 37 TRP HA H 1 4.581 0.02 . 1 . . . . . . . . 4781 1 381 . 2 2 37 37 TRP HB2 H 1 3.292 0.02 . 1 . . . . . . . . 4781 1 382 . 2 2 37 37 TRP HB3 H 1 3.292 0.02 . 1 . . . . . . . . 4781 1 383 . 2 2 37 37 TRP HD1 H 1 6.851 0.02 . 1 . . . . . . . . 4781 1 384 . 2 2 37 37 TRP HE1 H 1 8.974 0.02 . 1 . . . . . . . . 4781 1 385 . 2 2 37 37 TRP HE3 H 1 7.447 0.02 . 1 . . . . . . . . 4781 1 386 . 2 2 37 37 TRP HZ2 H 1 6.899 0.02 . 1 . . . . . . . . 4781 1 387 . 2 2 37 37 TRP HZ3 H 1 6.729 0.02 . 1 . . . . . . . . 4781 1 388 . 2 2 37 37 TRP HH2 H 1 6.531 0.02 . 1 . . . . . . . . 4781 1 389 . 2 2 37 37 TRP CA C 13 58.225 0.20 . 1 . . . . . . . . 4781 1 390 . 2 2 37 37 TRP CB C 13 29.993 0.20 . 1 . . . . . . . . 4781 1 391 . 2 2 37 37 TRP CD1 C 13 121.638 0.20 . 1 . . . . . . . . 4781 1 392 . 2 2 37 37 TRP CE2 C 13 137.002 0.20 . 1 . . . . . . . . 4781 1 393 . 2 2 37 37 TRP CE3 C 13 119.990 0.20 . 1 . . . . . . . . 4781 1 394 . 2 2 37 37 TRP CZ2 C 13 113.955 0.20 . 1 . . . . . . . . 4781 1 395 . 2 2 37 37 TRP CZ3 C 13 121.081 0.20 . 1 . . . . . . . . 4781 1 396 . 2 2 37 37 TRP CH2 C 13 124.662 0.20 . 1 . . . . . . . . 4781 1 397 . 2 2 37 37 TRP N N 15 130.975 0.20 . 1 . . . . . . . . 4781 1 398 . 2 2 37 37 TRP NE1 N 15 112.242 0.20 . 1 . . . . . . . . 4781 1 399 . 2 2 38 38 LYS H H 1 9.875 0.02 . 1 . . . . . . . . 4781 1 400 . 2 2 38 38 LYS HA H 1 4.482 0.02 . 1 . . . . . . . . 4781 1 401 . 2 2 38 38 LYS HB2 H 1 1.760 0.02 . 1 . . . . . . . . 4781 1 402 . 2 2 38 38 LYS HB3 H 1 2.431 0.02 . 1 . . . . . . . . 4781 1 403 . 2 2 38 38 LYS HG2 H 1 1.384 0.02 . 1 . . . . . . . . 4781 1 404 . 2 2 38 38 LYS HG3 H 1 1.384 0.02 . 1 . . . . . . . . 4781 1 405 . 2 2 38 38 LYS HD2 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1 406 . 2 2 38 38 LYS HD3 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1 407 . 2 2 38 38 LYS HE2 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1 408 . 2 2 38 38 LYS HE3 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1 409 . 2 2 38 38 LYS CA C 13 57.057 0.20 . 1 . . . . . . . . 4781 1 410 . 2 2 38 38 LYS CB C 13 33.570 0.20 . 1 . . . . . . . . 4781 1 411 . 2 2 38 38 LYS CG C 13 26.093 0.20 . 1 . . . . . . . . 4781 1 412 . 2 2 38 38 LYS CD C 13 29.187 0.20 . 1 . . . . . . . . 4781 1 413 . 2 2 38 38 LYS CE C 13 42.334 0.20 . 1 . . . . . . . . 4781 1 414 . 2 2 38 38 LYS N N 15 122.228 0.20 . 1 . . . . . . . . 4781 1 415 . 2 2 39 39 CYS H H 1 8.760 0.02 . 1 . . . . . . . . 4781 1 416 . 2 2 39 39 CYS HA H 1 5.011 0.02 . 1 . . . . . . . . 4781 1 417 . 2 2 39 39 CYS HB2 H 1 2.555 0.02 . 1 . . . . . . . . 4781 1 418 . 2 2 39 39 CYS HB3 H 1 3.242 0.02 . 1 . . . . . . . . 4781 1 419 . 2 2 39 39 CYS HG H 1 2.071 0.02 . 1 . . . . . . . . 4781 1 420 . 2 2 39 39 CYS CA C 13 58.819 0.20 . 1 . . . . . . . . 4781 1 421 . 2 2 39 39 CYS CB C 13 32.479 0.20 . 1 . . . . . . . . 4781 1 422 . 2 2 39 39 CYS N N 15 118.176 0.20 . 1 . . . . . . . . 4781 1 423 . 2 2 40 40 GLY H H 1 8.175 0.02 . 1 . . . . . . . . 4781 1 424 . 2 2 40 40 GLY HA2 H 1 3.898 0.02 . 1 . . . . . . . . 4781 1 425 . 2 2 40 40 GLY HA3 H 1 4.197 0.02 . 1 . . . . . . . . 4781 1 426 . 2 2 40 40 GLY CA C 13 46.209 0.20 . 1 . . . . . . . . 4781 1 427 . 2 2 40 40 GLY N N 15 113.942 0.20 . 1 . . . . . . . . 4781 1 428 . 2 2 41 41 LYS H H 1 8.386 0.02 . 1 . . . . . . . . 4781 1 429 . 2 2 41 41 LYS HA H 1 4.286 0.02 . 1 . . . . . . . . 4781 1 430 . 2 2 41 41 LYS HB2 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1 431 . 2 2 41 41 LYS HB3 H 1 1.773 0.02 . 1 . . . . . . . . 4781 1 432 . 2 2 41 41 LYS HG2 H 1 1.482 0.02 . 1 . . . . . . . . 4781 1 433 . 2 2 41 41 LYS HG3 H 1 1.671 0.02 . 1 . . . . . . . . 4781 1 434 . 2 2 41 41 LYS HD2 H 1 1.740 0.02 . 1 . . . . . . . . 4781 1 435 . 2 2 41 41 LYS HD3 H 1 1.740 0.02 . 1 . . . . . . . . 4781 1 436 . 2 2 41 41 LYS HE2 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1 437 . 2 2 41 41 LYS HE3 H 1 3.027 0.02 . 1 . . . . . . . . 4781 1 438 . 2 2 41 41 LYS CA C 13 57.057 0.20 . 1 . . . . . . . . 4781 1 439 . 2 2 41 41 LYS CB C 13 33.570 0.20 . 1 . . . . . . . . 4781 1 440 . 2 2 41 41 LYS CG C 13 26.093 0.20 . 1 . . . . . . . . 4781 1 441 . 2 2 41 41 LYS CD C 13 29.187 0.20 . 1 . . . . . . . . 4781 1 442 . 2 2 41 41 LYS CE C 13 42.334 0.20 . 1 . . . . . . . . 4781 1 443 . 2 2 41 41 LYS N N 15 122.228 0.20 . 1 . . . . . . . . 4781 1 444 . 2 2 42 42 GLU H H 1 8.570 0.02 . 1 . . . . . . . . 4781 1 445 . 2 2 42 42 GLU HA H 1 4.199 0.02 . 1 . . . . . . . . 4781 1 446 . 2 2 42 42 GLU HB2 H 1 1.875 0.02 . 1 . . . . . . . . 4781 1 447 . 2 2 42 42 GLU HB3 H 1 1.875 0.02 . 1 . . . . . . . . 4781 1 448 . 2 2 42 42 GLU HG2 H 1 2.071 0.02 . 1 . . . . . . . . 4781 1 449 . 2 2 42 42 GLU HG3 H 1 2.256 0.02 . 1 . . . . . . . . 4781 1 450 . 2 2 42 42 GLU CA C 13 56.672 0.20 . 1 . . . . . . . . 4781 1 451 . 2 2 42 42 GLU CB C 13 30.646 0.20 . 1 . . . . . . . . 4781 1 452 . 2 2 42 42 GLU CG C 13 37.230 0.20 . 1 . . . . . . . . 4781 1 453 . 2 2 42 42 GLU N N 15 119.335 0.20 . 1 . . . . . . . . 4781 1 454 . 2 2 43 43 GLY H H 1 8.770 0.02 . 1 . . . . . . . . 4781 1 455 . 2 2 43 43 GLY HA2 H 1 3.623 0.02 . 1 . . . . . . . . 4781 1 456 . 2 2 43 43 GLY HA3 H 1 4.320 0.02 . 1 . . . . . . . . 4781 1 457 . 2 2 43 43 GLY CA C 13 45.438 0.20 . 1 . . . . . . . . 4781 1 458 . 2 2 43 43 GLY N N 15 108.036 0.20 . 1 . . . . . . . . 4781 1 459 . 2 2 44 44 HIS H H 1 7.051 0.02 . 1 . . . . . . . . 4781 1 460 . 2 2 44 44 HIS HA H 1 4.656 0.02 . 1 . . . . . . . . 4781 1 461 . 2 2 44 44 HIS HB2 H 1 3.124 0.02 . 1 . . . . . . . . 4781 1 462 . 2 2 44 44 HIS HB3 H 1 3.124 0.02 . 1 . . . . . . . . 4781 1 463 . 2 2 44 44 HIS HD2 H 1 6.921 0.02 . 1 . . . . . . . . 4781 1 464 . 2 2 44 44 HIS HE1 H 1 7.456 0.02 . 1 . . . . . . . . 4781 1 465 . 2 2 44 44 HIS CA C 13 55.640 0.20 . 1 . . . . . . . . 4781 1 466 . 2 2 44 44 HIS CB C 13 30.276 0.20 . 1 . . . . . . . . 4781 1 467 . 2 2 44 44 HIS CD2 C 13 127.110 0.20 . 1 . . . . . . . . 4781 1 468 . 2 2 44 44 HIS CE1 C 13 137.448 0.20 . 1 . . . . . . . . 4781 1 469 . 2 2 44 44 HIS N N 15 112.395 0.20 . 1 . . . . . . . . 4781 1 470 . 2 2 45 45 GLN H H 1 8.740 0.02 . 1 . . . . . . . . 4781 1 471 . 2 2 45 45 GLN HA H 1 4.264 0.02 . 1 . . . . . . . . 4781 1 472 . 2 2 45 45 GLN HB2 H 1 1.871 0.02 . 1 . . . . . . . . 4781 1 473 . 2 2 45 45 GLN HB3 H 1 1.579 0.02 . 1 . . . . . . . . 4781 1 474 . 2 2 45 45 GLN HG2 H 1 1.124 0.02 . 1 . . . . . . . . 4781 1 475 . 2 2 45 45 GLN HG3 H 1 1.124 0.02 . 1 . . . . . . . . 4781 1 476 . 2 2 45 45 GLN HE21 H 1 6.221 0.02 . 1 . . . . . . . . 4781 1 477 . 2 2 45 45 GLN HE22 H 1 6.755 0.02 . 1 . . . . . . . . 4781 1 478 . 2 2 45 45 GLN CA C 13 53.897 0.20 . 1 . . . . . . . . 4781 1 479 . 2 2 45 45 GLN CB C 13 31.105 0.20 . 1 . . . . . . . . 4781 1 480 . 2 2 45 45 GLN CG C 13 33.928 0.20 . 1 . . . . . . . . 4781 1 481 . 2 2 45 45 GLN N N 15 117.714 0.20 . 1 . . . . . . . . 4781 1 482 . 2 2 45 45 GLN NE2 N 15 110.778 0.20 . 1 . . . . . . . . 4781 1 483 . 2 2 46 46 MET H H 1 9.499 0.02 . 1 . . . . . . . . 4781 1 484 . 2 2 46 46 MET HA H 1 4.677 0.02 . 1 . . . . . . . . 4781 1 485 . 2 2 46 46 MET HB2 H 1 2.366 0.02 . 1 . . . . . . . . 4781 1 486 . 2 2 46 46 MET HB3 H 1 2.366 0.02 . 1 . . . . . . . . 4781 1 487 . 2 2 46 46 MET HG2 H 1 2.373 0.02 . 1 . . . . . . . . 4781 1 488 . 2 2 46 46 MET HG3 H 1 2.745 0.02 . 1 . . . . . . . . 4781 1 489 . 2 2 46 46 MET HE1 H 1 2.257 0.02 . 1 . . . . . . . . 4781 1 490 . 2 2 46 46 MET HE2 H 1 2.257 0.02 . 1 . . . . . . . . 4781 1 491 . 2 2 46 46 MET HE3 H 1 2.257 0.02 . 1 . . . . . . . . 4781 1 492 . 2 2 46 46 MET CA C 13 60.783 0.20 . 1 . . . . . . . . 4781 1 493 . 2 2 46 46 MET CB C 13 32.520 0.20 . 1 . . . . . . . . 4781 1 494 . 2 2 46 46 MET CG C 13 32.538 0.20 . 1 . . . . . . . . 4781 1 495 . 2 2 46 46 MET CE C 13 17.989 0.20 . 1 . . . . . . . . 4781 1 496 . 2 2 46 46 MET N N 15 123.487 0.20 . 1 . . . . . . . . 4781 1 497 . 2 2 47 47 LYS H H 1 8.980 0.02 . 1 . . . . . . . . 4781 1 498 . 2 2 47 47 LYS HA H 1 4.142 0.02 . 1 . . . . . . . . 4781 1 499 . 2 2 47 47 LYS HB2 H 1 1.763 0.02 . 1 . . . . . . . . 4781 1 500 . 2 2 47 47 LYS HB3 H 1 1.763 0.02 . 1 . . . . . . . . 4781 1 501 . 2 2 47 47 LYS HG2 H 1 1.255 0.02 . 1 . . . . . . . . 4781 1 502 . 2 2 47 47 LYS HG3 H 1 1.255 0.02 . 1 . . . . . . . . 4781 1 503 . 2 2 47 47 LYS HD2 H 1 1.651 0.02 . 1 . . . . . . . . 4781 1 504 . 2 2 47 47 LYS HD3 H 1 1.651 0.02 . 1 . . . . . . . . 4781 1 505 . 2 2 47 47 LYS HE2 H 1 2.972 0.02 . 1 . . . . . . . . 4781 1 506 . 2 2 47 47 LYS HE3 H 1 2.972 0.02 . 1 . . . . . . . . 4781 1 507 . 2 2 47 47 LYS CA C 13 58.712 0.20 . 1 . . . . . . . . 4781 1 508 . 2 2 47 47 LYS CB C 13 31.341 0.20 . 1 . . . . . . . . 4781 1 509 . 2 2 47 47 LYS CG C 13 23.473 0.20 . 1 . . . . . . . . 4781 1 510 . 2 2 47 47 LYS CD C 13 29.087 0.20 . 1 . . . . . . . . 4781 1 511 . 2 2 47 47 LYS CE C 13 41.752 0.20 . 1 . . . . . . . . 4781 1 512 . 2 2 47 47 LYS N N 15 119.117 0.20 . 1 . . . . . . . . 4781 1 513 . 2 2 48 48 ASP H H 1 7.916 0.02 . 1 . . . . . . . . 4781 1 514 . 2 2 48 48 ASP HA H 1 4.901 0.02 . 1 . . . . . . . . 4781 1 515 . 2 2 48 48 ASP HB2 H 1 2.921 0.02 . 1 . . . . . . . . 4781 1 516 . 2 2 48 48 ASP HB3 H 1 2.458 0.02 . 1 . . . . . . . . 4781 1 517 . 2 2 48 48 ASP CA C 13 53.571 0.20 . 1 . . . . . . . . 4781 1 518 . 2 2 48 48 ASP CB C 13 42.910 0.20 . 1 . . . . . . . . 4781 1 519 . 2 2 48 48 ASP N N 15 117.588 0.20 . 1 . . . . . . . . 4781 1 520 . 2 2 49 49 CYS H H 1 7.735 0.02 . 1 . . . . . . . . 4781 1 521 . 2 2 49 49 CYS HA H 1 3.722 0.02 . 1 . . . . . . . . 4781 1 522 . 2 2 49 49 CYS HB2 H 1 3.328 0.02 . 1 . . . . . . . . 4781 1 523 . 2 2 49 49 CYS HB3 H 1 2.953 0.02 . 1 . . . . . . . . 4781 1 524 . 2 2 49 49 CYS CA C 13 42.952 0.20 . 1 . . . . . . . . 4781 1 525 . 2 2 49 49 CYS CB C 13 30.923 0.20 . 1 . . . . . . . . 4781 1 526 . 2 2 49 49 CYS N N 15 124.318 0.20 . 1 . . . . . . . . 4781 1 527 . 2 2 50 50 THR H H 1 8.153 0.02 . 1 . . . . . . . . 4781 1 528 . 2 2 50 50 THR HA H 1 4.381 0.02 . 1 . . . . . . . . 4781 1 529 . 2 2 50 50 THR HB H 1 4.441 0.02 . 1 . . . . . . . . 4781 1 530 . 2 2 50 50 THR HG21 H 1 1.093 0.02 . 1 . . . . . . . . 4781 1 531 . 2 2 50 50 THR HG22 H 1 1.093 0.02 . 1 . . . . . . . . 4781 1 532 . 2 2 50 50 THR HG23 H 1 1.093 0.02 . 1 . . . . . . . . 4781 1 533 . 2 2 50 50 THR CA C 13 61.712 0.20 . 1 . . . . . . . . 4781 1 534 . 2 2 50 50 THR CB C 13 49.285 0.20 . 1 . . . . . . . . 4781 1 535 . 2 2 50 50 THR CG2 C 13 21.354 0.20 . 1 . . . . . . . . 4781 1 536 . 2 2 50 50 THR N N 15 120.114 0.20 . 1 . . . . . . . . 4781 1 537 . 2 2 51 51 GLU H H 1 8.788 0.02 . 1 . . . . . . . . 4781 1 538 . 2 2 51 51 GLU HA H 1 4.219 0.02 . 1 . . . . . . . . 4781 1 539 . 2 2 51 51 GLU HB2 H 1 1.991 0.02 . 1 . . . . . . . . 4781 1 540 . 2 2 51 51 GLU HB3 H 1 1.991 0.02 . 1 . . . . . . . . 4781 1 541 . 2 2 51 51 GLU HG2 H 1 2.264 0.02 . 1 . . . . . . . . 4781 1 542 . 2 2 51 51 GLU HG3 H 1 2.449 0.02 . 1 . . . . . . . . 4781 1 543 . 2 2 51 51 GLU CA C 13 56.907 0.20 . 1 . . . . . . . . 4781 1 544 . 2 2 51 51 GLU CB C 13 29.849 0.20 . 1 . . . . . . . . 4781 1 545 . 2 2 51 51 GLU CG C 13 36.386 0.20 . 1 . . . . . . . . 4781 1 546 . 2 2 51 51 GLU N N 15 125.636 0.20 . 1 . . . . . . . . 4781 1 547 . 2 2 52 52 ARG H H 1 8.294 0.02 . 1 . . . . . . . . 4781 1 548 . 2 2 52 52 ARG HA H 1 4.294 0.02 . 1 . . . . . . . . 4781 1 549 . 2 2 52 52 ARG HB2 H 1 1.761 0.02 . 1 . . . . . . . . 4781 1 550 . 2 2 52 52 ARG HB3 H 1 1.761 0.02 . 1 . . . . . . . . 4781 1 551 . 2 2 52 52 ARG HG2 H 1 1.581 0.02 . 1 . . . . . . . . 4781 1 552 . 2 2 52 52 ARG HG3 H 1 1.581 0.02 . 1 . . . . . . . . 4781 1 553 . 2 2 52 52 ARG HD2 H 1 3.155 0.02 . 1 . . . . . . . . 4781 1 554 . 2 2 52 52 ARG HD3 H 1 3.155 0.02 . 1 . . . . . . . . 4781 1 555 . 2 2 52 52 ARG CA C 13 55.928 0.20 . 1 . . . . . . . . 4781 1 556 . 2 2 52 52 ARG CB C 13 30.839 0.20 . 1 . . . . . . . . 4781 1 557 . 2 2 52 52 ARG CG C 13 27.053 0.20 . 1 . . . . . . . . 4781 1 558 . 2 2 52 52 ARG CD C 13 43.263 0.20 . 1 . . . . . . . . 4781 1 559 . 2 2 52 52 ARG N N 15 122.155 0.20 . 1 . . . . . . . . 4781 1 560 . 2 2 53 53 GLN H H 1 8.411 0.02 . 1 . . . . . . . . 4781 1 561 . 2 2 53 53 GLN HA H 1 4.287 0.02 . 1 . . . . . . . . 4781 1 562 . 2 2 53 53 GLN HB2 H 1 1.995 0.02 . 1 . . . . . . . . 4781 1 563 . 2 2 53 53 GLN HB3 H 1 1.995 0.02 . 1 . . . . . . . . 4781 1 564 . 2 2 53 53 GLN HG2 H 1 2.356 0.02 . 1 . . . . . . . . 4781 1 565 . 2 2 53 53 GLN HG3 H 1 2.356 0.02 . 1 . . . . . . . . 4781 1 566 . 2 2 53 53 GLN CA C 13 55.729 0.20 . 1 . . . . . . . . 4781 1 567 . 2 2 53 53 GLN CB C 13 29.553 0.20 . 1 . . . . . . . . 4781 1 568 . 2 2 53 53 GLN CG C 13 33.905 0.20 . 1 . . . . . . . . 4781 1 569 . 2 2 53 53 GLN N N 15 121.611 0.20 . 1 . . . . . . . . 4781 1 570 . 2 2 54 54 ALA H H 1 8.383 0.02 . 1 . . . . . . . . 4781 1 571 . 2 2 54 54 ALA HA H 1 4.339 0.02 . 1 . . . . . . . . 4781 1 572 . 2 2 54 54 ALA HB1 H 1 1.377 0.02 . 1 . . . . . . . . 4781 1 573 . 2 2 54 54 ALA HB2 H 1 1.377 0.02 . 1 . . . . . . . . 4781 1 574 . 2 2 54 54 ALA HB3 H 1 1.377 0.02 . 1 . . . . . . . . 4781 1 575 . 2 2 54 54 ALA CA C 13 52.355 0.20 . 1 . . . . . . . . 4781 1 576 . 2 2 54 54 ALA CB C 13 39.509 0.20 . 1 . . . . . . . . 4781 1 577 . 2 2 54 54 ALA N N 15 126.429 0.20 . 1 . . . . . . . . 4781 1 578 . 2 2 55 55 ASN H H 1 8.010 0.02 . 1 . . . . . . . . 4781 1 579 . 2 2 55 55 ASN HA H 1 4.462 0.02 . 1 . . . . . . . . 4781 1 580 . 2 2 55 55 ASN HB2 H 1 2.641 0.02 . 1 . . . . . . . . 4781 1 581 . 2 2 55 55 ASN HB3 H 1 2.641 0.02 . 1 . . . . . . . . 4781 1 582 . 2 2 55 55 ASN CA C 13 54.710 0.20 . 1 . . . . . . . . 4781 1 583 . 2 2 55 55 ASN CB C 13 40.357 0.20 . 1 . . . . . . . . 4781 1 584 . 2 2 55 55 ASN ND2 N 15 123.718 0.20 . 1 . . . . . . . . 4781 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_NCSL2_RNA _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode NCSL2_RNA _Assigned_chem_shift_list.Entry_ID 4781 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 '2D NOESY' . . . 4781 2 2 '2D TOCSY' . . . 4781 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 . 1 1 1 1 G H8 H 1 8.170 0.02 . 1 . . . . . . . . 4781 2 2 . 1 1 1 1 G C8 C 13 139.129 0.20 . 1 . . . . . . . . 4781 2 3 . 1 1 1 1 G H1' H 1 5.807 0.02 . 1 . . . . . . . . 4781 2 4 . 1 1 1 1 G H2' H 1 4.923 0.02 . 1 . . . . . . . . 4781 2 5 . 1 1 1 1 G H3' H 1 4.710 0.02 . 1 . . . . . . . . 4781 2 6 . 1 1 1 1 G H4' H 1 4.509 0.02 . 1 . . . . . . . . 4781 2 7 . 1 1 1 1 G H5' H 1 4.058 0.02 . 2 . . . . . . . . 4781 2 8 . 1 1 1 1 G H5'' H 1 4.221 0.02 . 2 . . . . . . . . 4781 2 9 . 1 1 1 1 G C1' C 13 91.661 0.20 . 1 . . . . . . . . 4781 2 10 . 1 1 1 1 G C2' C 13 75.066 0.20 . 1 . . . . . . . . 4781 2 11 . 1 1 1 1 G C3' C 13 74.545 0.20 . 1 . . . . . . . . 4781 2 12 . 1 1 1 1 G C4' C 13 83.955 0.20 . 1 . . . . . . . . 4781 2 13 . 1 1 1 1 G C5' C 13 65.418 0.20 . 1 . . . . . . . . 4781 2 14 . 1 1 2 2 G H8 H 1 7.596 0.02 . 1 . . . . . . . . 4781 2 15 . 1 1 2 2 G C8 C 13 136.696 0.20 . 1 . . . . . . . . 4781 2 16 . 1 1 2 2 G H1' H 1 5.916 0.02 . 1 . . . . . . . . 4781 2 17 . 1 1 2 2 G H4' H 1 4.542 0.02 . 1 . . . . . . . . 4781 2 18 . 1 1 2 2 G C1' C 13 93.019 0.20 . 1 . . . . . . . . 4781 2 19 . 1 1 2 2 G C4' C 13 82.414 0.20 . 1 . . . . . . . . 4781 2 20 . 1 1 3 3 C H5 H 1 5.230 0.02 . 1 . . . . . . . . 4781 2 21 . 1 1 3 3 C H6 H 1 7.580 0.02 . 1 . . . . . . . . 4781 2 22 . 1 1 3 3 C C5 C 13 97.414 0.20 . 1 . . . . . . . . 4781 2 23 . 1 1 3 3 C C6 C 13 140.463 0.20 . 1 . . . . . . . . 4781 2 24 . 1 1 3 3 C H1' H 1 5.576 0.02 . 1 . . . . . . . . 4781 2 25 . 1 1 3 3 C H3' H 1 4.577 0.02 . 1 . . . . . . . . 4781 2 26 . 1 1 3 3 C H4' H 1 4.420 0.02 . 1 . . . . . . . . 4781 2 27 . 1 1 3 3 C H5' H 1 4.081 0.02 . 1 . . . . . . . . 4781 2 28 . 1 1 3 3 C C1' C 13 94.016 0.20 . 1 . . . . . . . . 4781 2 29 . 1 1 3 3 C C3' C 13 72.985 0.20 . 1 . . . . . . . . 4781 2 30 . 1 1 3 3 C C4' C 13 81.848 0.20 . 1 . . . . . . . . 4781 2 31 . 1 1 3 3 C C5' C 13 64.599 0.20 . 1 . . . . . . . . 4781 2 32 . 1 1 4 4 G H8 H 1 7.477 0.02 . 1 . . . . . . . . 4781 2 33 . 1 1 4 4 G C8 C 13 136.206 0.20 . 1 . . . . . . . . 4781 2 34 . 1 1 4 4 G H1' H 1 7.618 0.02 . 1 . . . . . . . . 4781 2 35 . 1 1 4 4 G H2' H 1 4.505 0.02 . 1 . . . . . . . . 4781 2 36 . 1 1 4 4 G H4' H 1 4.512 0.02 . 1 . . . . . . . . 4781 2 37 . 1 1 4 4 G C2' C 13 73.582 0.20 . 1 . . . . . . . . 4781 2 38 . 1 1 4 4 G C4' C 13 82.179 0.20 . 1 . . . . . . . . 4781 2 39 . 1 1 5 5 A H2 H 1 7.696 0.02 . 1 . . . . . . . . 4781 2 40 . 1 1 5 5 A H8 H 1 7.849 0.02 . 1 . . . . . . . . 4781 2 41 . 1 1 5 5 A C2 C 13 154.264 0.20 . 1 . . . . . . . . 4781 2 42 . 1 1 5 5 A C8 C 13 139.298 0.20 . 1 . . . . . . . . 4781 2 43 . 1 1 5 5 A H1' H 1 5.917 0.02 . 1 . . . . . . . . 4781 2 44 . 1 1 5 5 A C1' C 13 92.969 0.20 . 1 . . . . . . . . 4781 2 45 . 1 1 6 6 C H5 H 1 5.212 0.02 . 1 . . . . . . . . 4781 2 46 . 1 1 6 6 C H6 H 1 7.555 0.02 . 1 . . . . . . . . 4781 2 47 . 1 1 6 6 C C5 C 13 97.316 0.20 . 1 . . . . . . . . 4781 2 48 . 1 1 6 6 C C6 C 13 140.579 0.20 . 1 . . . . . . . . 4781 2 49 . 1 1 6 6 C H1' H 1 5.417 0.02 . 1 . . . . . . . . 4781 2 50 . 1 1 6 6 C H3' H 1 4.386 0.02 . 1 . . . . . . . . 4781 2 51 . 1 1 6 6 C H4' H 1 4.354 0.02 . 1 . . . . . . . . 4781 2 52 . 1 1 6 6 C C1' C 13 93.519 0.20 . 1 . . . . . . . . 4781 2 53 . 1 1 6 6 C C3' C 13 64.599 0.20 . 1 . . . . . . . . 4781 2 54 . 1 1 6 6 C C4' C 13 81.818 0.20 . 1 . . . . . . . . 4781 2 55 . 1 1 7 7 U H5 H 1 5.367 0.02 . 1 . . . . . . . . 4781 2 56 . 1 1 7 7 U H6 H 1 7.783 0.02 . 1 . . . . . . . . 4781 2 57 . 1 1 7 7 U C5 C 13 103.867 0.20 . 1 . . . . . . . . 4781 2 58 . 1 1 7 7 U C6 C 13 141.210 0.20 . 1 . . . . . . . . 4781 2 59 . 1 1 7 7 U H1' H 1 5.638 0.02 . 1 . . . . . . . . 4781 2 60 . 1 1 7 7 U H2' H 1 4.543 0.02 . 1 . . . . . . . . 4781 2 61 . 1 1 7 7 U C1' C 13 93.315 0.20 . 1 . . . . . . . . 4781 2 62 . 1 1 7 7 U C2' C 13 75.354 0.20 . 1 . . . . . . . . 4781 2 63 . 1 1 8 8 G H8 H 1 7.630 0.02 . 1 . . . . . . . . 4781 2 64 . 1 1 8 8 G C8 C 13 137.423 0.20 . 1 . . . . . . . . 4781 2 65 . 1 1 8 8 G H1' H 1 5.693 0.02 . 1 . . . . . . . . 4781 2 66 . 1 1 8 8 G H2' H 1 3.928 0.02 . 1 . . . . . . . . 4781 2 67 . 1 1 8 8 G H3' H 1 4.503 0.02 . 1 . . . . . . . . 4781 2 68 . 1 1 8 8 G H4' H 1 4.355 0.02 . 1 . . . . . . . . 4781 2 69 . 1 1 8 8 G H5' H 1 4.568 0.02 . 1 . . . . . . . . 4781 2 70 . 1 1 8 8 G H5'' H 1 4.077 0.02 . 1 . . . . . . . . 4781 2 71 . 1 1 8 8 G C1' C 13 92.927 0.20 . 1 . . . . . . . . 4781 2 72 . 1 1 8 8 G C2' C 13 76.595 0.20 . 1 . . . . . . . . 4781 2 73 . 1 1 8 8 G C3' C 13 73.605 0.20 . 1 . . . . . . . . 4781 2 74 . 1 1 8 8 G C4' C 13 82.653 0.20 . 1 . . . . . . . . 4781 2 75 . 1 1 8 8 G C5' C 13 64.468 0.20 . 1 . . . . . . . . 4781 2 76 . 1 1 9 9 G H8 H 1 7.614 0.02 . 1 . . . . . . . . 4781 2 77 . 1 1 9 9 G C8 C 13 139.047 0.20 . 1 . . . . . . . . 4781 2 78 . 1 1 9 9 G H1' H 1 5.748 0.02 . 1 . . . . . . . . 4781 2 79 . 1 1 9 9 G H2' H 1 4.498 0.02 . 1 . . . . . . . . 4781 2 80 . 1 1 9 9 G H3' H 1 4.496 0.02 . 1 . . . . . . . . 4781 2 81 . 1 1 9 9 G H4' H 1 2.660 0.02 . 1 . . . . . . . . 4781 2 82 . 1 1 9 9 G H5' H 1 2.981 0.02 . 1 . . . . . . . . 4781 2 83 . 1 1 9 9 G H5'' H 1 2.927 0.02 . 1 . . . . . . . . 4781 2 84 . 1 1 9 9 G C1' C 13 87.443 0.20 . 1 . . . . . . . . 4781 2 85 . 1 1 9 9 G C2' C 13 76.813 0.20 . 1 . . . . . . . . 4781 2 86 . 1 1 9 9 G C3' C 13 80.646 0.20 . 1 . . . . . . . . 4781 2 87 . 1 1 9 9 G C4' C 13 86.542 0.20 . 1 . . . . . . . . 4781 2 88 . 1 1 9 9 G C5' C 13 67.467 0.20 . 1 . . . . . . . . 4781 2 89 . 1 1 10 10 U H5 H 1 6.298 0.02 . 1 . . . . . . . . 4781 2 90 . 1 1 10 10 U H6 H 1 7.916 0.02 . 1 . . . . . . . . 4781 2 91 . 1 1 10 10 U C5 C 13 106.702 0.20 . 1 . . . . . . . . 4781 2 92 . 1 1 10 10 U C6 C 13 142.724 0.20 . 1 . . . . . . . . 4781 2 93 . 1 1 10 10 U H1' H 1 6.173 0.02 . 1 . . . . . . . . 4781 2 94 . 1 1 10 10 U H2' H 1 4.348 0.02 . 1 . . . . . . . . 4781 2 95 . 1 1 10 10 U H3' H 1 4.782 0.02 . 1 . . . . . . . . 4781 2 96 . 1 1 10 10 U H4' H 1 4.118 0.02 . 1 . . . . . . . . 4781 2 97 . 1 1 10 10 U H5' H 1 3.929 0.02 . 1 . . . . . . . . 4781 2 98 . 1 1 10 10 U H5'' H 1 3.930 0.02 . 1 . . . . . . . . 4781 2 99 . 1 1 10 10 U C1' C 13 89.449 0.20 . 1 . . . . . . . . 4781 2 100 . 1 1 10 10 U C2' C 13 77.469 0.20 . 1 . . . . . . . . 4781 2 101 . 1 1 10 10 U C3' C 13 80.133 0.20 . 1 . . . . . . . . 4781 2 102 . 1 1 10 10 U C4' C 13 85.745 0.20 . 1 . . . . . . . . 4781 2 103 . 1 1 10 10 U C5' C 13 67.755 0.20 . 1 . . . . . . . . 4781 2 104 . 1 1 11 11 G H8 H 1 8.328 0.02 . 1 . . . . . . . . 4781 2 105 . 1 1 11 11 G C8 C 13 140.198 0.20 . 1 . . . . . . . . 4781 2 106 . 1 1 11 11 G H1' H 1 6.116 0.02 . 1 . . . . . . . . 4781 2 107 . 1 1 11 11 G H2' H 1 5.126 0.02 . 1 . . . . . . . . 4781 2 108 . 1 1 11 11 G H3' H 1 5.069 0.02 . 1 . . . . . . . . 4781 2 109 . 1 1 11 11 G H4' H 1 4.841 0.02 . 1 . . . . . . . . 4781 2 110 . 1 1 11 11 G H5' H 1 4.249 0.02 . 1 . . . . . . . . 4781 2 111 . 1 1 11 11 G H5'' H 1 3.997 0.02 . 1 . . . . . . . . 4781 2 112 . 1 1 11 11 G C1' C 13 87.552 0.20 . 1 . . . . . . . . 4781 2 113 . 1 1 11 11 G C2' C 13 75.376 0.20 . 1 . . . . . . . . 4781 2 114 . 1 1 11 11 G C3' C 13 79.486 0.20 . 1 . . . . . . . . 4781 2 115 . 1 1 11 11 G C4' C 13 86.861 0.20 . 1 . . . . . . . . 4781 2 116 . 1 1 11 11 G C5' C 13 69.172 0.20 . 1 . . . . . . . . 4781 2 117 . 1 1 12 12 A H2 H 1 7.584 0.02 . 1 . . . . . . . . 4781 2 118 . 1 1 12 12 A H8 H 1 8.653 0.02 . 1 . . . . . . . . 4781 2 119 . 1 1 12 12 A C2 C 13 153.023 0.20 . 1 . . . . . . . . 4781 2 120 . 1 1 12 12 A C8 C 13 141.359 0.20 . 1 . . . . . . . . 4781 2 121 . 1 1 12 12 A H1' H 1 6.210 0.02 . 1 . . . . . . . . 4781 2 122 . 1 1 12 12 A H2' H 1 4.979 0.02 . 1 . . . . . . . . 4781 2 123 . 1 1 12 12 A H3' H 1 4.711 0.02 . 1 . . . . . . . . 4781 2 124 . 1 1 12 12 A H4' H 1 4.631 0.02 . 1 . . . . . . . . 4781 2 125 . 1 1 12 12 A C1' C 13 92.732 0.20 . 1 . . . . . . . . 4781 2 126 . 1 1 12 12 A C2' C 13 75.663 0.20 . 1 . . . . . . . . 4781 2 127 . 1 1 12 12 A C3' C 13 74.516 0.20 . 1 . . . . . . . . 4781 2 128 . 1 1 12 12 A C4' C 13 82.661 0.20 . 1 . . . . . . . . 4781 2 129 . 1 1 13 13 G H8 H 1 7.266 0.02 . 1 . . . . . . . . 4781 2 130 . 1 1 13 13 G C8 C 13 136.529 0.20 . 1 . . . . . . . . 4781 2 131 . 1 1 13 13 G H1' H 1 5.557 0.02 . 1 . . . . . . . . 4781 2 132 . 1 1 13 13 G H2' H 1 4.512 0.02 . 1 . . . . . . . . 4781 2 133 . 1 1 13 13 G H3' H 1 4.407 0.02 . 1 . . . . . . . . 4781 2 134 . 1 1 13 13 G H4' H 1 4.514 0.02 . 1 . . . . . . . . 4781 2 135 . 1 1 13 13 G C1' C 13 93.304 0.20 . 1 . . . . . . . . 4781 2 136 . 1 1 13 13 G C2' C 13 75.155 0.20 . 1 . . . . . . . . 4781 2 137 . 1 1 13 13 G C3' C 13 73.762 0.20 . 1 . . . . . . . . 4781 2 138 . 1 1 13 13 G C4' C 13 82.882 0.20 . 1 . . . . . . . . 4781 2 139 . 1 1 14 14 U H5 H 1 5.149 0.02 . 1 . . . . . . . . 4781 2 140 . 1 1 14 14 U H6 H 1 7.688 0.02 . 1 . . . . . . . . 4781 2 141 . 1 1 14 14 U C5 C 13 103.678 0.20 . 1 . . . . . . . . 4781 2 142 . 1 1 14 14 U C6 C 13 142.166 0.20 . 1 . . . . . . . . 4781 2 143 . 1 1 14 14 U H1' H 1 5.880 0.02 . 1 . . . . . . . . 4781 2 144 . 1 1 14 14 U H2' H 1 4.297 0.02 . 1 . . . . . . . . 4781 2 145 . 1 1 14 14 U H3' H 1 4.660 0.02 . 1 . . . . . . . . 4781 2 146 . 1 1 14 14 U H4' H 1 4.486 0.02 . 1 . . . . . . . . 4781 2 147 . 1 1 14 14 U C1' C 13 91.656 0.20 . 1 . . . . . . . . 4781 2 148 . 1 1 14 14 U C2' C 13 76.369 0.20 . 1 . . . . . . . . 4781 2 149 . 1 1 14 14 U C3' C 13 75.485 0.20 . 1 . . . . . . . . 4781 2 150 . 1 1 14 14 U C4' C 13 84.367 0.20 . 1 . . . . . . . . 4781 2 151 . 1 1 15 15 A H2 H 1 8.016 0.02 . 1 . . . . . . . . 4781 2 152 . 1 1 15 15 A H8 H 1 8.393 0.02 . 1 . . . . . . . . 4781 2 153 . 1 1 15 15 A C2 C 13 155.399 0.20 . 1 . . . . . . . . 4781 2 154 . 1 1 15 15 A C8 C 13 141.795 0.20 . 1 . . . . . . . . 4781 2 155 . 1 1 15 15 A H1' H 1 6.113 0.02 . 1 . . . . . . . . 4781 2 156 . 1 1 15 15 A H2' H 1 4.752 0.02 . 1 . . . . . . . . 4781 2 157 . 1 1 15 15 A H3' H 1 4.833 0.02 . 1 . . . . . . . . 4781 2 158 . 1 1 15 15 A H4' H 1 4.571 0.02 . 1 . . . . . . . . 4781 2 159 . 1 1 15 15 A H5' H 1 4.212 0.02 . 1 . . . . . . . . 4781 2 160 . 1 1 15 15 A C1' C 13 90.375 0.20 . 1 . . . . . . . . 4781 2 161 . 1 1 15 15 A C2' C 13 76.156 0.20 . 1 . . . . . . . . 4781 2 162 . 1 1 15 15 A C3' C 13 75.979 0.20 . 1 . . . . . . . . 4781 2 163 . 1 1 15 15 A C4' C 13 84.785 0.20 . 1 . . . . . . . . 4781 2 164 . 1 1 15 15 A C5' C 13 67.005 0.20 . 1 . . . . . . . . 4781 2 165 . 1 1 16 16 C H5 H 1 5.640 0.02 . 1 . . . . . . . . 4781 2 166 . 1 1 16 16 C H6 H 1 7.701 0.02 . 1 . . . . . . . . 4781 2 167 . 1 1 16 16 C C5 C 13 98.405 0.02 . 1 . . . . . . . . 4781 2 168 . 1 1 16 16 C C6 C 13 142.183 0.02 . 1 . . . . . . . . 4781 2 169 . 1 1 16 16 C H1' H 1 5.562 0.02 . 1 . . . . . . . . 4781 2 170 . 1 1 16 16 C H3' H 1 4.498 0.02 . 1 . . . . . . . . 4781 2 171 . 1 1 16 16 C C1' C 13 93.940 0.20 . 1 . . . . . . . . 4781 2 172 . 1 1 16 16 C C3' C 13 74.207 0.20 . 1 . . . . . . . . 4781 2 173 . 1 1 17 17 G H8 H 1 7.725 0.02 . 1 . . . . . . . . 4781 2 174 . 1 1 17 17 G C8 C 13 136.853 0.20 . 1 . . . . . . . . 4781 2 175 . 1 1 17 17 G H4' H 1 4.495 0.02 . 1 . . . . . . . . 4781 2 176 . 1 1 17 17 G H5' H 1 4.515 0.02 . 1 . . . . . . . . 4781 2 177 . 1 1 17 17 G H5'' H 1 4.165 0.02 . 1 . . . . . . . . 4781 2 178 . 1 1 17 17 G C4' C 13 82.413 0.20 . 1 . . . . . . . . 4781 2 179 . 1 1 17 17 G C5' C 13 65.812 0.20 . 1 . . . . . . . . 4781 2 180 . 1 1 18 18 C H5 H 1 5.211 0.02 . 1 . . . . . . . . 4781 2 181 . 1 1 18 18 C H6 H 1 7.711 0.02 . 1 . . . . . . . . 4781 2 182 . 1 1 18 18 C C5 C 13 96.961 0.20 . 1 . . . . . . . . 4781 2 183 . 1 1 18 18 C C6 C 13 141.354 0.20 . 1 . . . . . . . . 4781 2 184 . 1 1 18 18 C H1' H 1 5.764 0.02 . 1 . . . . . . . . 4781 2 185 . 1 1 18 18 C H4' H 1 4.413 0.02 . 1 . . . . . . . . 4781 2 186 . 1 1 18 18 C C1' C 13 93.174 0.20 . 1 . . . . . . . . 4781 2 187 . 1 1 18 18 C C4' C 13 81.943 0.20 . 1 . . . . . . . . 4781 2 188 . 1 1 19 19 C H5 H 1 5.512 0.02 . 1 . . . . . . . . 4781 2 189 . 1 1 19 19 C H6 H 1 7.675 0.02 . 1 . . . . . . . . 4781 2 190 . 1 1 19 19 C C5 C 13 98.211 0.02 . 1 . . . . . . . . 4781 2 191 . 1 1 19 19 C C6 C 13 141.690 0.02 . 1 . . . . . . . . 4781 2 192 . 1 1 19 19 C H1' H 1 5.763 0.02 . 1 . . . . . . . . 4781 2 193 . 1 1 19 19 C H2' H 1 3.998 0.02 . 1 . . . . . . . . 4781 2 194 . 1 1 19 19 C H3' H 1 4.175 0.02 . 1 . . . . . . . . 4781 2 195 . 1 1 19 19 C H4' H 1 4.165 0.02 . 1 . . . . . . . . 4781 2 196 . 1 1 19 19 C H5' H 1 4.486 0.02 . 1 . . . . . . . . 4781 2 197 . 1 1 19 19 C H5'' H 1 4.032 0.02 . 1 . . . . . . . . 4781 2 198 . 1 1 19 19 C C1' C 13 92.942 0.20 . 1 . . . . . . . . 4781 2 199 . 1 1 19 19 C C2' C 13 77.558 0.20 . 1 . . . . . . . . 4781 2 200 . 1 1 19 19 C C3' C 13 69.650 0.20 . 1 . . . . . . . . 4781 2 201 . 1 1 19 19 C C4' C 13 83.371 0.20 . 1 . . . . . . . . 4781 2 202 . 1 1 19 19 C C5' C 13 65.059 0.20 . 1 . . . . . . . . 4781 2 stop_ save_