################################### # 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 18757 _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-1H TOCSY' . . . 18757 1 3 '2D 1H-13C HSQC' . . . 18757 1 6 '2D 1H-15N HSQC' . . . 18757 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.782 0.002 . . . . . A 1 GLY HA2 . 18757 1 2 . 1 1 1 1 GLY HA3 H 1 4.129 0.004 . . . . . A 1 GLY HA3 . 18757 1 3 . 1 1 1 1 GLY H H 1 8.487 0.002 . . . . . A 1 GLY H1 . 18757 1 4 . 1 1 1 1 GLY CA C 13 45.078 0.020 . . . . . A 1 GLY CA . 18757 1 5 . 1 1 2 2 ILE H H 1 7.927 0.006 . . . . . A 2 ILE H . 18757 1 6 . 1 1 2 2 ILE HA H 1 4.494 0.005 . . . . . A 2 ILE HA . 18757 1 7 . 1 1 2 2 ILE HB H 1 1.861 0.007 . . . . . A 2 ILE HB . 18757 1 8 . 1 1 2 2 ILE HG12 H 1 1.164 0.006 . . . . . A 2 ILE HG12 . 18757 1 9 . 1 1 2 2 ILE HG13 H 1 1.442 0.106 . . . . . A 2 ILE HG13 . 18757 1 10 . 1 1 2 2 ILE HG21 H 1 0.881 0.002 . . . . . A 2 ILE HG21 . 18757 1 11 . 1 1 2 2 ILE HG22 H 1 0.881 0.002 . . . . . A 2 ILE HG22 . 18757 1 12 . 1 1 2 2 ILE HG23 H 1 0.881 0.002 . . . . . A 2 ILE HG23 . 18757 1 13 . 1 1 2 2 ILE HD11 H 1 0.855 0.002 . . . . . A 2 ILE HD11 . 18757 1 14 . 1 1 2 2 ILE HD12 H 1 0.855 0.002 . . . . . A 2 ILE HD12 . 18757 1 15 . 1 1 2 2 ILE HD13 H 1 0.855 0.002 . . . . . A 2 ILE HD13 . 18757 1 16 . 1 1 2 2 ILE CA C 13 59.956 0.000 . . . . . A 2 ILE CA . 18757 1 17 . 1 1 2 2 ILE CB C 13 40.197 0.000 . . . . . A 2 ILE CB . 18757 1 18 . 1 1 2 2 ILE CG1 C 13 27.176 0.012 . . . . . A 2 ILE CG1 . 18757 1 19 . 1 1 2 2 ILE CG2 C 13 17.536 0.000 . . . . . A 2 ILE CG2 . 18757 1 20 . 1 1 2 2 ILE CD1 C 13 12.701 0.000 . . . . . A 2 ILE CD1 . 18757 1 21 . 1 1 2 2 ILE N N 15 120.907 0.000 . . . . . A 2 ILE N . 18757 1 22 . 1 1 3 3 CYS H H 1 8.899 0.007 . . . . . A 3 CYS H . 18757 1 23 . 1 1 3 3 CYS HA H 1 5.308 0.005 . . . . . A 3 CYS HA . 18757 1 24 . 1 1 3 3 CYS HB2 H 1 2.745 0.002 . . . . . A 3 CYS HB2 . 18757 1 25 . 1 1 3 3 CYS HB3 H 1 3.014 0.002 . . . . . A 3 CYS HB3 . 18757 1 26 . 1 1 3 3 CYS CA C 13 56.013 0.000 . . . . . A 3 CYS CA . 18757 1 27 . 1 1 3 3 CYS N N 15 124.107 0.000 . . . . . A 3 CYS N . 18757 1 28 . 1 1 4 4 ARG H H 1 8.714 0.005 . . . . . A 4 ARG H . 18757 1 29 . 1 1 4 4 ARG HA H 1 4.663 0.002 . . . . . A 4 ARG HA . 18757 1 30 . 1 1 4 4 ARG HB2 H 1 1.804 0.002 . . . . . A 4 ARG HB2 . 18757 1 31 . 1 1 4 4 ARG HB3 H 1 1.804 0.002 . . . . . A 4 ARG HB3 . 18757 1 32 . 1 1 4 4 ARG HG2 H 1 1.574 0.004 . . . . . A 4 ARG HG2 . 18757 1 33 . 1 1 4 4 ARG HG3 H 1 1.649 0.003 . . . . . A 4 ARG HG3 . 18757 1 34 . 1 1 4 4 ARG HD2 H 1 3.207 0.004 . . . . . A 4 ARG HD2 . 18757 1 35 . 1 1 4 4 ARG HD3 H 1 3.207 0.004 . . . . . A 4 ARG HD3 . 18757 1 36 . 1 1 4 4 ARG CA C 13 55.267 0.000 . . . . . A 4 ARG CA . 18757 1 37 . 1 1 4 4 ARG CB C 13 31.817 0.000 . . . . . A 4 ARG CB . 18757 1 38 . 1 1 4 4 ARG CG C 13 27.346 0.013 . . . . . A 4 ARG CG . 18757 1 39 . 1 1 4 4 ARG CD C 13 43.284 0.000 . . . . . A 4 ARG CD . 18757 1 40 . 1 1 4 4 ARG N N 15 123.254 0.000 . . . . . A 4 ARG N . 18757 1 41 . 1 1 5 5 CYS H H 1 9.020 0.009 . . . . . A 5 CYS H . 18757 1 42 . 1 1 5 5 CYS HA H 1 5.404 0.004 . . . . . A 5 CYS HA . 18757 1 43 . 1 1 5 5 CYS HB2 H 1 2.742 0.002 . . . . . A 5 CYS HB2 . 18757 1 44 . 1 1 5 5 CYS HB3 H 1 3.099 0.006 . . . . . A 5 CYS HB3 . 18757 1 45 . 1 1 5 5 CYS CA C 13 55.641 0.000 . . . . . A 5 CYS CA . 18757 1 46 . 1 1 5 5 CYS CB C 13 46.464 0.026 . . . . . A 5 CYS CB . 18757 1 47 . 1 1 5 5 CYS N N 15 123.464 0.000 . . . . . A 5 CYS N . 18757 1 48 . 1 1 6 6 ILE H H 1 8.780 0.005 . . . . . A 6 ILE H . 18757 1 49 . 1 1 6 6 ILE HA H 1 4.364 0.002 . . . . . A 6 ILE HA . 18757 1 50 . 1 1 6 6 ILE HB H 1 1.845 0.005 . . . . . A 6 ILE HB . 18757 1 51 . 1 1 6 6 ILE HG12 H 1 1.184 0.002 . . . . . A 6 ILE HG12 . 18757 1 52 . 1 1 6 6 ILE HG13 H 1 1.482 0.122 . . . . . A 6 ILE HG13 . 18757 1 53 . 1 1 6 6 ILE HG21 H 1 0.911 0.005 . . . . . A 6 ILE HG21 . 18757 1 54 . 1 1 6 6 ILE HG22 H 1 0.911 0.005 . . . . . A 6 ILE HG22 . 18757 1 55 . 1 1 6 6 ILE HG23 H 1 0.911 0.005 . . . . . A 6 ILE HG23 . 18757 1 56 . 1 1 6 6 ILE HD11 H 1 0.865 0.006 . . . . . A 6 ILE HD11 . 18757 1 57 . 1 1 6 6 ILE HD12 H 1 0.865 0.006 . . . . . A 6 ILE HD12 . 18757 1 58 . 1 1 6 6 ILE HD13 H 1 0.865 0.006 . . . . . A 6 ILE HD13 . 18757 1 59 . 1 1 6 6 ILE CA C 13 60.712 0.000 . . . . . A 6 ILE CA . 18757 1 60 . 1 1 6 6 ILE CB C 13 39.591 0.000 . . . . . A 6 ILE CB . 18757 1 61 . 1 1 6 6 ILE CG1 C 13 27.348 0.014 . . . . . A 6 ILE CG1 . 18757 1 62 . 1 1 6 6 ILE CG2 C 13 17.456 0.000 . . . . . A 6 ILE CG2 . 18757 1 63 . 1 1 6 6 ILE CD1 C 13 12.701 0.000 . . . . . A 6 ILE CD1 . 18757 1 64 . 1 1 6 6 ILE N N 15 124.141 0.000 . . . . . A 6 ILE N . 18757 1 65 . 1 1 7 7 CYS H H 1 9.135 0.005 . . . . . A 7 CYS H . 18757 1 66 . 1 1 7 7 CYS HA H 1 5.331 0.005 . . . . . A 7 CYS HA . 18757 1 67 . 1 1 7 7 CYS HB2 H 1 2.964 0.003 . . . . . A 7 CYS HB2 . 18757 1 68 . 1 1 7 7 CYS HB3 H 1 3.112 0.004 . . . . . A 7 CYS HB3 . 18757 1 69 . 1 1 7 7 CYS CA C 13 55.862 0.000 . . . . . A 7 CYS CA . 18757 1 70 . 1 1 8 8 GLY H H 1 8.588 0.004 . . . . . A 8 GLY H . 18757 1 71 . 1 1 8 8 GLY HA2 H 1 3.877 0.002 . . . . . A 8 GLY HA2 . 18757 1 72 . 1 1 8 8 GLY HA3 H 1 4.228 0.001 . . . . . A 8 GLY HA3 . 18757 1 73 . 1 1 8 8 GLY CA C 13 45.142 0.000 . . . . . A 8 GLY CA . 18757 1 74 . 1 1 9 9 ARG H H 1 8.873 0.004 . . . . . A 9 ARG H . 18757 1 75 . 1 1 9 9 ARG HA H 1 4.130 0.003 . . . . . A 9 ARG HA . 18757 1 76 . 1 1 9 9 ARG HB2 H 1 1.836 0.003 . . . . . A 9 ARG HB2 . 18757 1 77 . 1 1 9 9 ARG HB3 H 1 1.942 0.003 . . . . . A 9 ARG HB3 . 18757 1 78 . 1 1 9 9 ARG HG2 H 1 1.674 0.014 . . . . . A 9 ARG HG2 . 18757 1 79 . 1 1 9 9 ARG HG3 H 1 1.674 0.014 . . . . . A 9 ARG HG3 . 18757 1 80 . 1 1 9 9 ARG HD2 H 1 3.230 0.006 . . . . . A 9 ARG HD2 . 18757 1 81 . 1 1 9 9 ARG HD3 H 1 3.230 0.006 . . . . . A 9 ARG HD3 . 18757 1 82 . 1 1 9 9 ARG CA C 13 57.376 0.000 . . . . . A 9 ARG CA . 18757 1 83 . 1 1 9 9 ARG CB C 13 29.621 0.003 . . . . . A 9 ARG CB . 18757 1 84 . 1 1 9 9 ARG CG C 13 27.359 0.000 . . . . . A 9 ARG CG . 18757 1 85 . 1 1 9 9 ARG CD C 13 43.222 0.000 . . . . . A 9 ARG CD . 18757 1 86 . 1 1 10 10 ARG H H 1 8.382 0.003 . . . . . A 10 ARG H . 18757 1 87 . 1 1 10 10 ARG HA H 1 4.339 0.004 . . . . . A 10 ARG HA . 18757 1 88 . 1 1 10 10 ARG HB2 H 1 1.944 0.008 . . . . . A 10 ARG HB2 . 18757 1 89 . 1 1 10 10 ARG HB3 H 1 1.944 0.008 . . . . . A 10 ARG HB3 . 18757 1 90 . 1 1 10 10 ARG HG2 H 1 1.608 0.007 . . . . . A 10 ARG HG2 . 18757 1 91 . 1 1 10 10 ARG HG3 H 1 1.608 0.007 . . . . . A 10 ARG HG3 . 18757 1 92 . 1 1 10 10 ARG HD2 H 1 3.224 0.003 . . . . . A 10 ARG HD2 . 18757 1 93 . 1 1 10 10 ARG HD3 H 1 3.224 0.003 . . . . . A 10 ARG HD3 . 18757 1 94 . 1 1 10 10 ARG CA C 13 56.589 0.000 . . . . . A 10 ARG CA . 18757 1 95 . 1 1 10 10 ARG CB C 13 31.418 0.000 . . . . . A 10 ARG CB . 18757 1 96 . 1 1 10 10 ARG CG C 13 27.482 0.000 . . . . . A 10 ARG CG . 18757 1 97 . 1 1 10 10 ARG CD C 13 43.222 0.000 . . . . . A 10 ARG CD . 18757 1 98 . 1 1 11 11 ILE H H 1 8.002 0.006 . . . . . A 11 ILE H . 18757 1 99 . 1 1 11 11 ILE HA H 1 4.483 0.003 . . . . . A 11 ILE HA . 18757 1 100 . 1 1 11 11 ILE HB H 1 1.864 0.004 . . . . . A 11 ILE HB . 18757 1 101 . 1 1 11 11 ILE HG12 H 1 1.201 0.006 . . . . . A 11 ILE HG12 . 18757 1 102 . 1 1 11 11 ILE HG13 H 1 1.488 0.002 . . . . . A 11 ILE HG13 . 18757 1 103 . 1 1 11 11 ILE HG21 H 1 0.878 0.004 . . . . . A 11 ILE HG21 . 18757 1 104 . 1 1 11 11 ILE HG22 H 1 0.878 0.004 . . . . . A 11 ILE HG22 . 18757 1 105 . 1 1 11 11 ILE HG23 H 1 0.878 0.004 . . . . . A 11 ILE HG23 . 18757 1 106 . 1 1 11 11 ILE HD11 H 1 0.853 0.004 . . . . . A 11 ILE HD11 . 18757 1 107 . 1 1 11 11 ILE HD12 H 1 0.853 0.004 . . . . . A 11 ILE HD12 . 18757 1 108 . 1 1 11 11 ILE HD13 H 1 0.853 0.004 . . . . . A 11 ILE HD13 . 18757 1 109 . 1 1 11 11 ILE CA C 13 60.141 0.000 . . . . . A 11 ILE CA . 18757 1 110 . 1 1 11 11 ILE CB C 13 40.197 0.000 . . . . . A 11 ILE CB . 18757 1 111 . 1 1 11 11 ILE CG2 C 13 17.536 0.000 . . . . . A 11 ILE CG2 . 18757 1 112 . 1 1 11 11 ILE CD1 C 13 12.701 0.000 . . . . . A 11 ILE CD1 . 18757 1 113 . 1 1 11 11 ILE N N 15 119.146 0.000 . . . . . A 11 ILE N . 18757 1 114 . 1 1 12 12 CYS H H 1 8.821 0.003 . . . . . A 12 CYS H . 18757 1 115 . 1 1 12 12 CYS HA H 1 5.302 0.004 . . . . . A 12 CYS HA . 18757 1 116 . 1 1 12 12 CYS HB2 H 1 2.746 0.002 . . . . . A 12 CYS HB2 . 18757 1 117 . 1 1 12 12 CYS HB3 H 1 3.101 0.005 . . . . . A 12 CYS HB3 . 18757 1 118 . 1 1 12 12 CYS CA C 13 56.013 0.000 . . . . . A 12 CYS CA . 18757 1 119 . 1 1 13 13 ARG H H 1 8.680 0.007 . . . . . A 13 ARG H . 18757 1 120 . 1 1 13 13 ARG HA H 1 4.664 0.002 . . . . . A 13 ARG HA . 18757 1 121 . 1 1 13 13 ARG HB2 H 1 1.801 0.004 . . . . . A 13 ARG HB2 . 18757 1 122 . 1 1 13 13 ARG HB3 H 1 1.801 0.004 . . . . . A 13 ARG HB3 . 18757 1 123 . 1 1 13 13 ARG HG2 H 1 1.567 0.002 . . . . . A 13 ARG HG2 . 18757 1 124 . 1 1 13 13 ARG HG3 H 1 1.643 0.001 . . . . . A 13 ARG HG3 . 18757 1 125 . 1 1 13 13 ARG HD2 H 1 3.209 0.009 . . . . . A 13 ARG HD2 . 18757 1 126 . 1 1 13 13 ARG HD3 H 1 3.209 0.009 . . . . . A 13 ARG HD3 . 18757 1 127 . 1 1 13 13 ARG CA C 13 55.267 0.000 . . . . . A 13 ARG CA . 18757 1 128 . 1 1 13 13 ARG CB C 13 31.817 0.000 . . . . . A 13 ARG CB . 18757 1 129 . 1 1 13 13 ARG CG C 13 27.345 0.011 . . . . . A 13 ARG CG . 18757 1 130 . 1 1 13 13 ARG CD C 13 43.222 0.000 . . . . . A 13 ARG CD . 18757 1 131 . 1 1 13 13 ARG N N 15 122.886 0.000 . . . . . A 13 ARG N . 18757 1 132 . 1 1 14 14 CYS H H 1 9.020 0.009 . . . . . A 14 CYS H . 18757 1 133 . 1 1 14 14 CYS HA H 1 5.404 0.003 . . . . . A 14 CYS HA . 18757 1 134 . 1 1 14 14 CYS HB2 H 1 2.743 0.002 . . . . . A 14 CYS HB2 . 18757 1 135 . 1 1 14 14 CYS HB3 H 1 3.099 0.006 . . . . . A 14 CYS HB3 . 18757 1 136 . 1 1 14 14 CYS CA C 13 55.641 0.000 . . . . . A 14 CYS CA . 18757 1 137 . 1 1 14 14 CYS CB C 13 46.464 0.026 . . . . . A 14 CYS CB . 18757 1 138 . 1 1 14 14 CYS N N 15 123.464 0.000 . . . . . A 14 CYS N . 18757 1 139 . 1 1 15 15 ILE H H 1 8.780 0.005 . . . . . A 15 ILE H . 18757 1 140 . 1 1 15 15 ILE HA H 1 4.362 0.003 . . . . . A 15 ILE HA . 18757 1 141 . 1 1 15 15 ILE HB H 1 1.844 0.005 . . . . . A 15 ILE HB . 18757 1 142 . 1 1 15 15 ILE HG12 H 1 1.184 0.003 . . . . . A 15 ILE HG12 . 18757 1 143 . 1 1 15 15 ILE HG13 H 1 1.534 0.003 . . . . . A 15 ILE HG13 . 18757 1 144 . 1 1 15 15 ILE HG21 H 1 0.913 0.003 . . . . . A 15 ILE HG21 . 18757 1 145 . 1 1 15 15 ILE HG22 H 1 0.913 0.003 . . . . . A 15 ILE HG22 . 18757 1 146 . 1 1 15 15 ILE HG23 H 1 0.913 0.003 . . . . . A 15 ILE HG23 . 18757 1 147 . 1 1 15 15 ILE HD11 H 1 0.865 0.006 . . . . . A 15 ILE HD11 . 18757 1 148 . 1 1 15 15 ILE HD12 H 1 0.865 0.006 . . . . . A 15 ILE HD12 . 18757 1 149 . 1 1 15 15 ILE HD13 H 1 0.865 0.006 . . . . . A 15 ILE HD13 . 18757 1 150 . 1 1 15 15 ILE CA C 13 60.712 0.000 . . . . . A 15 ILE CA . 18757 1 151 . 1 1 15 15 ILE CB C 13 39.591 0.000 . . . . . A 15 ILE CB . 18757 1 152 . 1 1 15 15 ILE CG2 C 13 17.456 0.000 . . . . . A 15 ILE CG2 . 18757 1 153 . 1 1 15 15 ILE CD1 C 13 12.701 0.000 . . . . . A 15 ILE CD1 . 18757 1 154 . 1 1 15 15 ILE N N 15 124.141 0.000 . . . . . A 15 ILE N . 18757 1 155 . 1 1 16 16 CYS H H 1 8.973 0.005 . . . . . A 16 CYS H . 18757 1 156 . 1 1 16 16 CYS HA H 1 5.547 0.004 . . . . . A 16 CYS HA . 18757 1 157 . 1 1 16 16 CYS HB2 H 1 2.911 0.003 . . . . . A 16 CYS HB2 . 18757 1 158 . 1 1 16 16 CYS HB3 H 1 3.133 0.005 . . . . . A 16 CYS HB3 . 18757 1 159 . 1 1 16 16 CYS CA C 13 55.098 0.000 . . . . . A 16 CYS CA . 18757 1 160 . 1 1 17 17 GLY H H 1 8.760 0.007 . . . . . A 17 GLY H . 18757 1 161 . 1 1 17 17 GLY HA2 H 1 3.915 0.001 . . . . . A 17 GLY HA2 . 18757 1 162 . 1 1 17 17 GLY HA3 H 1 4.087 0.010 . . . . . A 17 GLY HA3 . 18757 1 163 . 1 1 17 17 GLY CA C 13 46.061 0.024 . . . . . A 17 GLY CA . 18757 1 164 . 1 1 17 17 GLY N N 15 111.815 0.000 . . . . . A 17 GLY N . 18757 1 165 . 1 1 18 18 ARG H H 1 9.110 0.004 . . . . . A 18 ARG H . 18757 1 166 . 1 1 18 18 ARG HA H 1 4.096 0.005 . . . . . A 18 ARG HA . 18757 1 167 . 1 1 18 18 ARG HB2 H 1 1.865 0.007 . . . . . A 18 ARG HB2 . 18757 1 168 . 1 1 18 18 ARG HB3 H 1 2.038 0.003 . . . . . A 18 ARG HB3 . 18757 1 169 . 1 1 18 18 ARG HG2 H 1 1.640 0.006 . . . . . A 18 ARG HG2 . 18757 1 170 . 1 1 18 18 ARG HG3 H 1 1.640 0.006 . . . . . A 18 ARG HG3 . 18757 1 171 . 1 1 18 18 ARG HD2 H 1 3.219 0.001 . . . . . A 18 ARG HD2 . 18757 1 172 . 1 1 18 18 ARG HD3 H 1 3.219 0.001 . . . . . A 18 ARG HD3 . 18757 1 173 . 1 1 18 18 ARG CA C 13 56.658 0.000 . . . . . A 18 ARG CA . 18757 1 174 . 1 1 18 18 ARG CB C 13 28.535 0.015 . . . . . A 18 ARG CB . 18757 1 175 . 1 1 18 18 ARG CG C 13 27.355 0.000 . . . . . A 18 ARG CG . 18757 1 176 . 1 1 18 18 ARG CD C 13 43.222 0.000 . . . . . A 18 ARG CD . 18757 1 stop_ save_