################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18340 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18340 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 2 2 GLU H H 1 8.5528 0.02 . 1 . . . B 131 GLU H . 18340 1 2 . 2 2 2 2 GLU HA H 1 4.0841 0.02 . 1 . . . B 131 GLU HA . 18340 1 3 . 2 2 2 2 GLU HB2 H 1 1.9934 0.02 . 2 . . . B 131 GLU HB2 . 18340 1 4 . 2 2 2 2 GLU HB3 H 1 1.9934 0.02 . 2 . . . B 131 GLU HB3 . 18340 1 5 . 2 2 2 2 GLU HG2 H 1 2.3759 0.02 . 2 . . . B 131 GLU HG2 . 18340 1 6 . 2 2 2 2 GLU HG3 H 1 2.3759 0.02 . 2 . . . B 131 GLU HG3 . 18340 1 7 . 2 2 3 3 ALA H H 1 8.6009 0.02 . 1 . . . B 132 ALA H . 18340 1 8 . 2 2 3 3 ALA HA H 1 4.1599 0.02 . 1 . . . B 132 ALA HA . 18340 1 9 . 2 2 3 3 ALA HB1 H 1 1.3759 0.02 . 1 . . . B 132 ALA HB1 . 18340 1 10 . 2 2 3 3 ALA HB2 H 1 1.3759 0.02 . 1 . . . B 132 ALA HB2 . 18340 1 11 . 2 2 3 3 ALA HB3 H 1 1.3759 0.02 . 1 . . . B 132 ALA HB3 . 18340 1 12 . 2 2 3 3 ALA CA C 13 53.6900 0.30 . 1 . . . B 132 ALA CA . 18340 1 13 . 2 2 3 3 ALA CB C 13 18.5000 0.30 . 1 . . . B 132 ALA CB . 18340 1 14 . 2 2 3 3 ALA N N 15 123.3000 0.30 . 1 . . . B 132 ALA N . 18340 1 15 . 2 2 4 4 LEU H H 1 7.9840 0.02 . 1 . . . B 133 LEU H . 18340 1 16 . 2 2 4 4 LEU HA H 1 4.2134 0.02 . 1 . . . B 133 LEU HA . 18340 1 17 . 2 2 4 4 LEU HB2 H 1 1.6497 0.02 . 2 . . . B 133 LEU HB2 . 18340 1 18 . 2 2 4 4 LEU HB3 H 1 1.6497 0.02 . 2 . . . B 133 LEU HB3 . 18340 1 19 . 2 2 4 4 LEU HG H 1 1.5138 0.02 . 1 . . . B 133 LEU HG . 18340 1 20 . 2 2 4 4 LEU HD11 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD11 . 18340 1 21 . 2 2 4 4 LEU HD12 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD12 . 18340 1 22 . 2 2 4 4 LEU HD13 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD13 . 18340 1 23 . 2 2 4 4 LEU HD21 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD21 . 18340 1 24 . 2 2 4 4 LEU HD22 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD22 . 18340 1 25 . 2 2 4 4 LEU HD23 H 1 0.9290 0.02 . 2 . . . B 133 LEU HD23 . 18340 1 26 . 2 2 4 4 LEU CA C 13 55.9500 0.30 . 1 . . . B 133 LEU CA . 18340 1 27 . 2 2 4 4 LEU CB C 13 42.0200 0.30 . 1 . . . B 133 LEU CB . 18340 1 28 . 2 2 4 4 LEU CG C 13 26.7965 0.30 . 1 . . . B 133 LEU CG . 18340 1 29 . 2 2 4 4 LEU CD1 C 13 24.5637 0.30 . 1 . . . B 133 LEU CD1 . 18340 1 30 . 2 2 4 4 LEU CD2 C 13 24.5637 0.30 . 1 . . . B 133 LEU CD2 . 18340 1 31 . 2 2 4 4 LEU N N 15 120.4000 0.30 . 1 . . . B 133 LEU N . 18340 1 32 . 2 2 5 5 LYS H H 1 7.9880 0.02 . 1 . . . B 134 LYS H . 18340 1 33 . 2 2 5 5 LYS HA H 1 4.1397 0.02 . 1 . . . B 134 LYS HA . 18340 1 34 . 2 2 5 5 LYS HB2 H 1 2.2331 0.02 . 2 . . . B 134 LYS HB2 . 18340 1 35 . 2 2 5 5 LYS HB3 H 1 2.2331 0.02 . 2 . . . B 134 LYS HB3 . 18340 1 36 . 2 2 5 5 LYS HG2 H 1 1.4954 0.02 . 2 . . . B 134 LYS HG2 . 18340 1 37 . 2 2 5 5 LYS HG3 H 1 1.4954 0.02 . 2 . . . B 134 LYS HG3 . 18340 1 38 . 2 2 5 5 LYS HD2 H 1 1.8090 0.02 . 2 . . . B 134 LYS HD2 . 18340 1 39 . 2 2 5 5 LYS HD3 H 1 1.8090 0.02 . 2 . . . B 134 LYS HD3 . 18340 1 40 . 2 2 5 5 LYS HE2 H 1 2.9300 0.02 . 2 . . . B 134 LYS HE2 . 18340 1 41 . 2 2 5 5 LYS HE3 H 1 2.9300 0.02 . 2 . . . B 134 LYS HE3 . 18340 1 42 . 2 2 5 5 LYS CA C 13 57.7900 0.30 . 1 . . . B 134 LYS CA . 18340 1 43 . 2 2 5 5 LYS CB C 13 32.6900 0.30 . 1 . . . B 134 LYS CB . 18340 1 44 . 2 2 5 5 LYS CG C 13 55.2481 0.30 . 1 . . . B 134 LYS CG . 18340 1 45 . 2 2 5 5 LYS N N 15 120.7000 0.30 . 1 . . . B 134 LYS N . 18340 1 46 . 2 2 6 6 LYS H H 1 8.4054 0.02 . 1 . . . B 135 LYS H . 18340 1 47 . 2 2 6 6 LYS HA H 1 4.1220 0.02 . 1 . . . B 135 LYS HA . 18340 1 48 . 2 2 6 6 LYS HB2 H 1 1.8148 0.02 . 2 . . . B 135 LYS HB2 . 18340 1 49 . 2 2 6 6 LYS HB3 H 1 1.8148 0.02 . 2 . . . B 135 LYS HB3 . 18340 1 50 . 2 2 6 6 LYS HG2 H 1 1.3858 0.02 . 2 . . . B 135 LYS HG2 . 18340 1 51 . 2 2 6 6 LYS HG3 H 1 1.3858 0.02 . 2 . . . B 135 LYS HG3 . 18340 1 52 . 2 2 6 6 LYS HD2 H 1 1.6706 0.02 . 2 . . . B 135 LYS HD2 . 18340 1 53 . 2 2 6 6 LYS HD3 H 1 1.6706 0.02 . 2 . . . B 135 LYS HD3 . 18340 1 54 . 2 2 6 6 LYS CA C 13 57.6381 0.30 . 1 . . . B 135 LYS CA . 18340 1 55 . 2 2 6 6 LYS CB C 13 32.8600 0.30 . 1 . . . B 135 LYS CB . 18340 1 56 . 2 2 6 6 LYS CG C 13 55.2434 0.30 . 1 . . . B 135 LYS CG . 18340 1 57 . 2 2 6 6 LYS CD C 13 59.4294 0.30 . 1 . . . B 135 LYS CD . 18340 1 58 . 2 2 6 6 LYS N N 15 120.9000 0.30 . 1 . . . B 135 LYS N . 18340 1 59 . 2 2 7 7 ALA H H 1 8.0854 0.02 . 1 . . . B 136 ALA H . 18340 1 60 . 2 2 7 7 ALA HA H 1 4.1839 0.02 . 1 . . . B 136 ALA HA . 18340 1 61 . 2 2 7 7 ALA HB1 H 1 1.4085 0.02 . 1 . . . B 136 ALA HB1 . 18340 1 62 . 2 2 7 7 ALA HB2 H 1 1.4085 0.02 . 1 . . . B 136 ALA HB2 . 18340 1 63 . 2 2 7 7 ALA HB3 H 1 1.4085 0.02 . 1 . . . B 136 ALA HB3 . 18340 1 64 . 2 2 7 7 ALA CA C 13 53.2100 0.30 . 1 . . . B 136 ALA CA . 18340 1 65 . 2 2 7 7 ALA CB C 13 18.7700 0.30 . 1 . . . B 136 ALA CB . 18340 1 66 . 2 2 7 7 ALA N N 15 123.9000 0.30 . 1 . . . B 136 ALA N . 18340 1 67 . 2 2 8 8 LEU H H 1 8.1910 0.02 . 1 . . . B 137 LEU H . 18340 1 68 . 2 2 8 8 LEU HA H 1 4.2441 0.02 . 1 . . . B 137 LEU HA . 18340 1 69 . 2 2 8 8 LEU HB2 H 1 1.6840 0.02 . 2 . . . B 137 LEU HB2 . 18340 1 70 . 2 2 8 8 LEU HB3 H 1 1.6840 0.02 . 2 . . . B 137 LEU HB3 . 18340 1 71 . 2 2 8 8 LEU HG H 1 1.6762 0.02 . 1 . . . B 137 LEU HG . 18340 1 72 . 2 2 8 8 LEU HD11 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD11 . 18340 1 73 . 2 2 8 8 LEU HD12 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD12 . 18340 1 74 . 2 2 8 8 LEU HD13 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD13 . 18340 1 75 . 2 2 8 8 LEU HD21 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD21 . 18340 1 76 . 2 2 8 8 LEU HD22 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD22 . 18340 1 77 . 2 2 8 8 LEU HD23 H 1 0.9025 0.02 . 2 . . . B 137 LEU HD23 . 18340 1 78 . 2 2 8 8 LEU CA C 13 55.9469 0.30 . 1 . . . B 137 LEU CA . 18340 1 79 . 2 2 8 8 LEU CB C 13 42.2381 0.30 . 1 . . . B 137 LEU CB . 18340 1 80 . 2 2 8 8 LEU CG C 13 57.0813 0.30 . 1 . . . B 137 LEU CG . 18340 1 81 . 2 2 8 8 LEU CD1 C 13 55.1355 0.30 . 1 . . . B 137 LEU CD1 . 18340 1 82 . 2 2 8 8 LEU CD2 C 13 55.1355 0.30 . 1 . . . B 137 LEU CD2 . 18340 1 83 . 2 2 8 8 LEU N N 15 120.6000 0.30 . 1 . . . B 137 LEU N . 18340 1 84 . 2 2 9 9 ARG H H 1 8.0990 0.02 . 1 . . . B 138 ARG H . 18340 1 85 . 2 2 9 9 ARG HA H 1 4.1657 0.02 . 1 . . . B 138 ARG HA . 18340 1 86 . 2 2 9 9 ARG HB2 H 1 1.7946 0.02 . 2 . . . B 138 ARG HB2 . 18340 1 87 . 2 2 9 9 ARG HB3 H 1 1.7946 0.02 . 2 . . . B 138 ARG HB3 . 18340 1 88 . 2 2 9 9 ARG HG2 H 1 1.5715 0.02 . 2 . . . B 138 ARG HG2 . 18340 1 89 . 2 2 9 9 ARG HG3 H 1 1.5715 0.02 . 2 . . . B 138 ARG HG3 . 18340 1 90 . 2 2 10 10 ARG H H 1 8.1630 0.02 . 1 . . . B 139 ARG H . 18340 1 91 . 2 2 10 10 ARG HA H 1 4.2030 0.02 . 1 . . . B 139 ARG HA . 18340 1 92 . 2 2 10 10 ARG HB2 H 1 1.7630 0.02 . 2 . . . B 139 ARG HB2 . 18340 1 93 . 2 2 10 10 ARG HB3 H 1 1.7630 0.02 . 2 . . . B 139 ARG HB3 . 18340 1 94 . 2 2 11 11 HIS H H 1 8.4475 0.02 . 1 . . . B 140 HIS H . 18340 1 95 . 2 2 11 11 HIS HA H 1 4.5035 0.02 . 1 . . . B 140 HIS HA . 18340 1 96 . 2 2 11 11 HIS HB2 H 1 3.1460 0.02 . 2 . . . B 140 HIS HB2 . 18340 1 97 . 2 2 11 11 HIS HB3 H 1 3.1460 0.02 . 2 . . . B 140 HIS HB3 . 18340 1 98 . 2 2 12 12 ARG H H 1 8.3205 0.02 . 1 . . . B 141 ARG H . 18340 1 99 . 2 2 12 12 ARG HA H 1 4.1669 0.02 . 1 . . . B 141 ARG HA . 18340 1 100 . 2 2 12 12 ARG HB2 H 1 1.7080 0.02 . 2 . . . B 141 ARG HB2 . 18340 1 101 . 2 2 12 12 ARG HB3 H 1 1.7080 0.02 . 2 . . . B 141 ARG HB3 . 18340 1 102 . 2 2 13 13 PHE H H 1 8.3012 0.02 . 1 . . . B 142 PHE H . 18340 1 103 . 2 2 13 13 PHE HA H 1 4.5173 0.02 . 1 . . . B 142 PHE HA . 18340 1 104 . 2 2 13 13 PHE HB2 H 1 2.8042 0.02 . 2 . . . B 142 PHE HB2 . 18340 1 105 . 2 2 13 13 PHE HB3 H 1 2.8042 0.02 . 2 . . . B 142 PHE HB3 . 18340 1 106 . 2 2 13 13 PHE CA C 13 58.1313 0.30 . 1 . . . B 142 PHE CA . 18340 1 107 . 2 2 13 13 PHE CB C 13 39.3500 0.30 . 1 . . . B 142 PHE CB . 18340 1 108 . 2 2 13 13 PHE CD1 C 13 132.0182 0.30 . 1 . . . B 142 PHE CD1 . 18340 1 109 . 2 2 13 13 PHE CD2 C 13 132.0182 0.30 . 1 . . . B 142 PHE CD2 . 18340 1 110 . 2 2 13 13 PHE N N 15 120.3000 0.30 . 1 . . . B 142 PHE N . 18340 1 111 . 2 2 14 14 LEU H H 1 8.2699 0.02 . 1 . . . B 143 LEU H . 18340 1 112 . 2 2 14 14 LEU HA H 1 4.2415 0.02 . 1 . . . B 143 LEU HA . 18340 1 113 . 2 2 14 14 LEU HB2 H 1 1.4567 0.02 . 2 . . . B 143 LEU HB2 . 18340 1 114 . 2 2 14 14 LEU HB3 H 1 1.4567 0.02 . 2 . . . B 143 LEU HB3 . 18340 1 115 . 2 2 14 14 LEU HG H 1 1.6179 0.02 . 1 . . . B 143 LEU HG . 18340 1 116 . 2 2 14 14 LEU HD11 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD11 . 18340 1 117 . 2 2 14 14 LEU HD12 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD12 . 18340 1 118 . 2 2 14 14 LEU HD13 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD13 . 18340 1 119 . 2 2 14 14 LEU HD21 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD21 . 18340 1 120 . 2 2 14 14 LEU HD22 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD22 . 18340 1 121 . 2 2 14 14 LEU HD23 H 1 0.8781 0.02 . 2 . . . B 143 LEU HD23 . 18340 1 122 . 2 2 14 14 LEU CA C 13 56.0933 0.30 . 1 . . . B 143 LEU CA . 18340 1 123 . 2 2 14 14 LEU CB C 13 42.0236 0.30 . 1 . . . B 143 LEU CB . 18340 1 124 . 2 2 14 14 LEU CG C 13 57.2051 0.30 . 1 . . . B 143 LEU CG . 18340 1 125 . 2 2 14 14 LEU CD1 C 13 55.0153 0.30 . 1 . . . B 143 LEU CD1 . 18340 1 126 . 2 2 14 14 LEU CD2 C 13 55.0153 0.30 . 1 . . . B 143 LEU CD2 . 18340 1 127 . 2 2 14 14 LEU N N 15 122.8000 0.30 . 1 . . . B 143 LEU N . 18340 1 128 . 2 2 15 15 TRP H H 1 8.0430 0.02 . 1 . . . B 144 TRP H . 18340 1 129 . 2 2 15 15 TRP HA H 1 4.4390 0.02 . 1 . . . B 144 TRP HA . 18340 1 130 . 2 2 15 15 TRP HB2 H 1 3.2180 0.02 . 2 . . . B 144 TRP HB2 . 18340 1 131 . 2 2 15 15 TRP HB3 H 1 3.2180 0.02 . 2 . . . B 144 TRP HB3 . 18340 1 132 . 2 2 15 15 TRP HD1 H 1 7.2300 0.02 . 1 . . . B 144 TRP HD1 . 18340 1 133 . 2 2 15 15 TRP HE1 H 1 10.160 0.02 . 1 . . . B 144 TRP HE1 . 18340 1 134 . 2 2 16 16 GLN H H 1 8.0367 0.02 . 1 . . . B 145 GLN H . 18340 1 135 . 2 2 16 16 GLN HA H 1 4.0901 0.02 . 1 . . . B 145 GLN HA . 18340 1 136 . 2 2 16 16 GLN HB2 H 1 1.8666 0.02 . 2 . . . B 145 GLN HB2 . 18340 1 137 . 2 2 16 16 GLN HB3 H 1 1.8666 0.02 . 2 . . . B 145 GLN HB3 . 18340 1 138 . 2 2 16 16 GLN HG2 H 1 2.1259 0.02 . 2 . . . B 145 GLN HG2 . 18340 1 139 . 2 2 16 16 GLN HG3 H 1 2.1259 0.02 . 2 . . . B 145 GLN HG3 . 18340 1 140 . 2 2 16 16 GLN CA C 13 56.4910 0.30 . 1 . . . B 145 GLN CA . 18340 1 141 . 2 2 16 16 GLN CB C 13 29.2600 0.30 . 1 . . . B 145 GLN CB . 18340 1 142 . 2 2 16 16 GLN CG C 13 24.7900 0.30 . 1 . . . B 145 GLN CG . 18340 1 143 . 2 2 16 16 GLN N N 15 120.9000 0.30 . 1 . . . B 145 GLN N . 18340 1 144 . 2 2 17 17 ARG H H 1 8.0691 0.02 . 1 . . . B 146 ARG H . 18340 1 145 . 2 2 17 17 ARG HA H 1 4.0803 0.02 . 1 . . . B 146 ARG HA . 18340 1 146 . 2 2 17 17 ARG HB2 H 1 1.5349 0.02 . 2 . . . B 146 ARG HB2 . 18340 1 147 . 2 2 17 17 ARG HB3 H 1 1.5349 0.02 . 2 . . . B 146 ARG HB3 . 18340 1 148 . 2 2 18 18 ARG H H 1 8.0691 0.02 . 1 . . . B 147 ARG H . 18340 1 149 . 2 2 18 18 ARG HA H 1 4.0803 0.02 . 1 . . . B 147 ARG HA . 18340 1 150 . 2 2 18 18 ARG HB2 H 1 1.5349 0.02 . 2 . . . B 147 ARG HB2 . 18340 1 151 . 2 2 18 18 ARG HB3 H 1 1.5349 0.02 . 2 . . . B 147 ARG HB3 . 18340 1 152 . 2 2 19 19 GLN H H 1 8.3700 0.02 . 1 . . . B 148 GLN H . 18340 1 153 . 2 2 19 19 GLN HA H 1 4.0752 0.02 . 1 . . . B 148 GLN HA . 18340 1 154 . 2 2 19 19 GLN HB2 H 1 2.0468 0.02 . 2 . . . B 148 GLN HB2 . 18340 1 155 . 2 2 19 19 GLN HB3 H 1 2.0468 0.02 . 2 . . . B 148 GLN HB3 . 18340 1 156 . 2 2 19 19 GLN HG2 H 1 2.2845 0.02 . 2 . . . B 148 GLN HG2 . 18340 1 157 . 2 2 19 19 GLN HG3 H 1 2.2845 0.02 . 2 . . . B 148 GLN HG3 . 18340 1 158 . 2 2 19 19 GLN CA C 13 55.9610 0.30 . 1 . . . B 148 GLN CA . 18340 1 159 . 2 2 19 19 GLN CB C 13 29.3100 0.30 . 1 . . . B 148 GLN CB . 18340 1 160 . 2 2 19 19 GLN CG C 13 24.7900 0.30 . 1 . . . B 148 GLN CG . 18340 1 161 . 2 2 19 19 GLN N N 15 121.6000 0.30 . 1 . . . B 148 GLN N . 18340 1 162 . 2 2 20 20 ARG H H 1 8.1950 0.02 . 1 . . . B 149 ARG H . 18340 1 163 . 2 2 20 20 ARG HA H 1 4.0614 0.02 . 1 . . . B 149 ARG HA . 18340 1 164 . 2 2 20 20 ARG HB2 H 1 1.6978 0.02 . 2 . . . B 149 ARG HB2 . 18340 1 165 . 2 2 20 20 ARG HB3 H 1 1.6978 0.02 . 2 . . . B 149 ARG HB3 . 18340 1 166 . 2 2 21 21 ALA H H 1 8.3802 0.02 . 1 . . . B 150 ALA H . 18340 1 167 . 2 2 21 21 ALA HA H 1 4.25572 0.02 . 1 . . . B 150 ALA HA . 18340 1 168 . 2 2 21 21 ALA HB1 H 1 1.3795 0.02 . 1 . . . B 150 ALA HB1 . 18340 1 169 . 2 2 21 21 ALA HB2 H 1 1.3795 0.02 . 1 . . . B 150 ALA HB2 . 18340 1 170 . 2 2 21 21 ALA HB3 H 1 1.3795 0.02 . 1 . . . B 150 ALA HB3 . 18340 1 171 . 2 2 21 21 ALA CA C 13 52.3100 0.30 . 1 . . . B 150 ALA CA . 18340 1 172 . 2 2 21 21 ALA CB C 13 19.5100 0.30 . 1 . . . B 150 ALA CB . 18340 1 173 . 2 2 21 21 ALA N N 15 126.0000 0.30 . 1 . . . B 150 ALA N . 18340 1 stop_ save_