################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30620 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _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' . . . 30620 1 2 '2D 1H-1H NOESY' . . . 30620 1 3 '2D E.COSY' . . . 30620 1 4 '2D 1H-15N HSQC' . . . 30620 1 5 '2D 1H-13C HSQC' . . . 30620 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG HA H 1 4.229 0.001 . 1 . . . . A 1 ARG HA . 30620 1 2 . 1 1 1 1 ARG HB2 H 1 1.759 0.007 . 2 . . . . A 1 ARG HB2 . 30620 1 3 . 1 1 1 1 ARG HB3 H 1 1.565 0.005 . 2 . . . . A 1 ARG HB3 . 30620 1 4 . 1 1 1 1 ARG HG2 H 1 1.395 0.001 . 2 . . . . A 1 ARG HG2 . 30620 1 5 . 1 1 1 1 ARG HG3 H 1 1.262 0.010 . 2 . . . . A 1 ARG HG3 . 30620 1 6 . 1 1 1 1 ARG HD2 H 1 3.061 0.004 . 2 . . . . A 1 ARG HD2 . 30620 1 7 . 1 1 1 1 ARG HD3 H 1 3.061 0.004 . 2 . . . . A 1 ARG HD3 . 30620 1 8 . 1 1 1 1 ARG CA C 13 56.338 0.000 . 1 . . . . A 1 ARG CA . 30620 1 9 . 1 1 1 1 ARG CB C 13 29.891 0.002 . 1 . . . . A 1 ARG CB . 30620 1 10 . 1 1 1 1 ARG CD C 13 43.459 0.000 . 1 . . . . A 1 ARG CD . 30620 1 11 . 1 1 2 2 TRP H H 1 7.860 0.003 . 1 . . . . A 2 TRP H . 30620 1 12 . 1 1 2 2 TRP HA H 1 4.945 0.004 . 1 . . . . A 2 TRP HA . 30620 1 13 . 1 1 2 2 TRP HB2 H 1 3.521 0.006 . 2 . . . . A 2 TRP HB2 . 30620 1 14 . 1 1 2 2 TRP HB3 H 1 3.298 0.003 . 2 . . . . A 2 TRP HB3 . 30620 1 15 . 1 1 2 2 TRP HD1 H 1 7.348 0.001 . 1 . . . . A 2 TRP HD1 . 30620 1 16 . 1 1 2 2 TRP HE1 H 1 10.125 0.001 . 1 . . . . A 2 TRP HE1 . 30620 1 17 . 1 1 2 2 TRP HZ2 H 1 7.427 0.000 . 1 . . . . A 2 TRP HZ2 . 30620 1 18 . 1 1 2 2 TRP CA C 13 56.442 0.000 . 1 . . . . A 2 TRP CA . 30620 1 19 . 1 1 2 2 TRP CB C 13 29.959 0.000 . 1 . . . . A 2 TRP CB . 30620 1 20 . 1 1 2 2 TRP N N 15 122.427 0.000 . 1 . . . . A 2 TRP N . 30620 1 21 . 1 1 3 3 CYS H H 1 8.373 0.004 . 1 . . . . A 3 CYS H . 30620 1 22 . 1 1 3 3 CYS HA H 1 5.448 0.003 . 1 . . . . A 3 CYS HA . 30620 1 23 . 1 1 3 3 CYS HB2 H 1 2.945 0.001 . 2 . . . . A 3 CYS HB2 . 30620 1 24 . 1 1 3 3 CYS HB3 H 1 2.490 0.004 . 2 . . . . A 3 CYS HB3 . 30620 1 25 . 1 1 3 3 CYS CA C 13 55.362 0.000 . 1 . . . . A 3 CYS CA . 30620 1 26 . 1 1 3 3 CYS CB C 13 48.126 0.050 . 1 . . . . A 3 CYS CB . 30620 1 27 . 1 1 3 3 CYS N N 15 123.391 0.000 . 1 . . . . A 3 CYS N . 30620 1 28 . 1 1 4 4 PHE H H 1 8.776 0.002 . 1 . . . . A 4 PHE H . 30620 1 29 . 1 1 4 4 PHE HA H 1 4.806 0.000 . 1 . . . . A 4 PHE HA . 30620 1 30 . 1 1 4 4 PHE HB2 H 1 2.964 0.002 . 2 . . . . A 4 PHE HB2 . 30620 1 31 . 1 1 4 4 PHE HB3 H 1 2.964 0.002 . 2 . . . . A 4 PHE HB3 . 30620 1 32 . 1 1 4 4 PHE HD1 H 1 6.736 0.002 . 3 . . . . A 4 PHE HD1 . 30620 1 33 . 1 1 4 4 PHE HD2 H 1 6.736 0.002 . 3 . . . . A 4 PHE HD2 . 30620 1 34 . 1 1 4 4 PHE HE1 H 1 7.075 0.001 . 3 . . . . A 4 PHE HE1 . 30620 1 35 . 1 1 4 4 PHE HE2 H 1 7.075 0.001 . 3 . . . . A 4 PHE HE2 . 30620 1 36 . 1 1 4 4 PHE CB C 13 40.774 0.000 . 1 . . . . A 4 PHE CB . 30620 1 37 . 1 1 4 4 PHE N N 15 120.041 0.000 . 1 . . . . A 4 PHE N . 30620 1 38 . 1 1 5 5 ARG H H 1 8.583 0.001 . 1 . . . . A 5 ARG H . 30620 1 39 . 1 1 5 5 ARG HA H 1 4.933 0.004 . 1 . . . . A 5 ARG HA . 30620 1 40 . 1 1 5 5 ARG HB2 H 1 1.725 0.004 . 2 . . . . A 5 ARG HB2 . 30620 1 41 . 1 1 5 5 ARG HB3 H 1 1.645 0.005 . 2 . . . . A 5 ARG HB3 . 30620 1 42 . 1 1 5 5 ARG HG2 H 1 1.501 0.002 . 2 . . . . A 5 ARG HG2 . 30620 1 43 . 1 1 5 5 ARG HG3 H 1 1.423 0.000 . 2 . . . . A 5 ARG HG3 . 30620 1 44 . 1 1 5 5 ARG HD2 H 1 3.111 0.003 . 2 . . . . A 5 ARG HD2 . 30620 1 45 . 1 1 5 5 ARG HD3 H 1 3.111 0.003 . 2 . . . . A 5 ARG HD3 . 30620 1 46 . 1 1 5 5 ARG CA C 13 55.267 0.000 . 1 . . . . A 5 ARG CA . 30620 1 47 . 1 1 5 5 ARG CB C 13 32.163 0.013 . 1 . . . . A 5 ARG CB . 30620 1 48 . 1 1 5 5 ARG CG C 13 27.956 0.000 . 1 . . . . A 5 ARG CG . 30620 1 49 . 1 1 5 5 ARG CD C 13 43.680 0.000 . 1 . . . . A 5 ARG CD . 30620 1 50 . 1 1 6 6 VAL H H 1 8.864 0.002 . 1 . . . . A 6 VAL H . 30620 1 51 . 1 1 6 6 VAL HA H 1 4.345 0.002 . 1 . . . . A 6 VAL HA . 30620 1 52 . 1 1 6 6 VAL HB H 1 1.605 0.002 . 1 . . . . A 6 VAL HB . 30620 1 53 . 1 1 6 6 VAL HG11 H 1 0.878 0.012 . . . . . . A 6 VAL HG11 . 30620 1 54 . 1 1 6 6 VAL HG12 H 1 0.878 0.012 . . . . . . A 6 VAL HG12 . 30620 1 55 . 1 1 6 6 VAL HG13 H 1 0.878 0.012 . . . . . . A 6 VAL HG13 . 30620 1 56 . 1 1 6 6 VAL HG21 H 1 0.854 0.008 . . . . . . A 6 VAL HG21 . 30620 1 57 . 1 1 6 6 VAL HG22 H 1 0.854 0.008 . . . . . . A 6 VAL HG22 . 30620 1 58 . 1 1 6 6 VAL HG23 H 1 0.854 0.008 . . . . . . A 6 VAL HG23 . 30620 1 59 . 1 1 6 6 VAL CB C 13 34.453 0.000 . 1 . . . . A 6 VAL CB . 30620 1 60 . 1 1 6 6 VAL CG1 C 13 21.105 0.000 . 2 . . . . A 6 VAL CG1 . 30620 1 61 . 1 1 6 6 VAL CG2 C 13 21.076 0.000 . 2 . . . . A 6 VAL CG2 . 30620 1 62 . 1 1 6 6 VAL N N 15 126.261 0.000 . 1 . . . . A 6 VAL N . 30620 1 63 . 1 1 7 7 CYS H H 1 8.607 0.004 . 1 . . . . A 7 CYS H . 30620 1 64 . 1 1 7 7 CYS HA H 1 5.622 0.002 . 1 . . . . A 7 CYS HA . 30620 1 65 . 1 1 7 7 CYS HB2 H 1 3.028 0.000 . 2 . . . . A 7 CYS HB2 . 30620 1 66 . 1 1 7 7 CYS HB3 H 1 2.666 0.003 . 2 . . . . A 7 CYS HB3 . 30620 1 67 . 1 1 7 7 CYS CA C 13 55.203 0.000 . 1 . . . . A 7 CYS CA . 30620 1 68 . 1 1 7 7 CYS CB C 13 48.678 0.004 . 1 . . . . A 7 CYS CB . 30620 1 69 . 1 1 7 7 CYS N N 15 122.860 0.000 . 1 . . . . A 7 CYS N . 30620 1 70 . 1 1 8 8 TYR H H 1 9.096 0.000 . 1 . . . . A 8 TYR H . 30620 1 71 . 1 1 8 8 TYR HA H 1 4.736 0.009 . 1 . . . . A 8 TYR HA . 30620 1 72 . 1 1 8 8 TYR HB2 H 1 3.049 0.006 . 2 . . . . A 8 TYR HB2 . 30620 1 73 . 1 1 8 8 TYR HB3 H 1 3.049 0.006 . 2 . . . . A 8 TYR HB3 . 30620 1 74 . 1 1 8 8 TYR HD1 H 1 7.238 0.006 . 3 . . . . A 8 TYR HD1 . 30620 1 75 . 1 1 8 8 TYR HD2 H 1 7.238 0.006 . 3 . . . . A 8 TYR HD2 . 30620 1 76 . 1 1 8 8 TYR HE1 H 1 6.846 0.002 . 3 . . . . A 8 TYR HE1 . 30620 1 77 . 1 1 8 8 TYR HE2 H 1 6.846 0.002 . 3 . . . . A 8 TYR HE2 . 30620 1 78 . 1 1 8 8 TYR CA C 13 57.560 0.000 . 1 . . . . A 8 TYR CA . 30620 1 79 . 1 1 8 8 TYR CB C 13 40.719 0.000 . 1 . . . . A 8 TYR CB . 30620 1 80 . 1 1 8 8 TYR N N 15 123.594 0.000 . 1 . . . . A 8 TYR N . 30620 1 81 . 1 1 9 9 ARG H H 1 9.234 0.000 . 1 . . . . A 9 ARG H . 30620 1 82 . 1 1 9 9 ARG HA H 1 3.710 0.002 . 1 . . . . A 9 ARG HA . 30620 1 83 . 1 1 9 9 ARG HB2 H 1 1.919 0.003 . 2 . . . . A 9 ARG HB2 . 30620 1 84 . 1 1 9 9 ARG HB3 H 1 1.615 0.003 . 2 . . . . A 9 ARG HB3 . 30620 1 85 . 1 1 9 9 ARG HG2 H 1 1.235 0.000 . 2 . . . . A 9 ARG HG2 . 30620 1 86 . 1 1 9 9 ARG HG3 H 1 0.935 0.007 . 2 . . . . A 9 ARG HG3 . 30620 1 87 . 1 1 9 9 ARG HD2 H 1 3.068 0.001 . 2 . . . . A 9 ARG HD2 . 30620 1 88 . 1 1 9 9 ARG HD3 H 1 3.068 0.001 . 2 . . . . A 9 ARG HD3 . 30620 1 89 . 1 1 9 9 ARG CA C 13 57.140 0.000 . 1 . . . . A 9 ARG CA . 30620 1 90 . 1 1 9 9 ARG CB C 13 27.958 0.005 . 1 . . . . A 9 ARG CB . 30620 1 91 . 1 1 9 9 ARG CG C 13 27.346 0.000 . 1 . . . . A 9 ARG CG . 30620 1 92 . 1 1 10 10 GLY H H 1 8.556 0.003 . 1 . . . . A 10 GLY H . 30620 1 93 . 1 1 10 10 GLY HA2 H 1 4.163 0.001 . 2 . . . . A 10 GLY HA2 . 30620 1 94 . 1 1 10 10 GLY HA3 H 1 3.569 0.003 . 2 . . . . A 10 GLY HA3 . 30620 1 95 . 1 1 10 10 GLY CA C 13 45.197 0.000 . 1 . . . . A 10 GLY CA . 30620 1 96 . 1 1 10 10 GLY N N 15 103.921 0.000 . 1 . . . . A 10 GLY N . 30620 1 97 . 1 1 11 11 ILE H H 1 7.820 0.006 . 1 . . . . A 11 ILE H . 30620 1 98 . 1 1 11 11 ILE HA H 1 4.341 0.002 . 1 . . . . A 11 ILE HA . 30620 1 99 . 1 1 11 11 ILE HB H 1 2.049 0.004 . 1 . . . . A 11 ILE HB . 30620 1 100 . 1 1 11 11 ILE HG12 H 1 1.528 0.003 . 2 . . . . A 11 ILE HG12 . 30620 1 101 . 1 1 11 11 ILE HG13 H 1 1.196 0.001 . 2 . . . . A 11 ILE HG13 . 30620 1 102 . 1 1 11 11 ILE HG21 H 1 0.840 0.002 . . . . . . A 11 ILE HG21 . 30620 1 103 . 1 1 11 11 ILE HG22 H 1 0.840 0.002 . . . . . . A 11 ILE HG22 . 30620 1 104 . 1 1 11 11 ILE HG23 H 1 0.840 0.002 . . . . . . A 11 ILE HG23 . 30620 1 105 . 1 1 11 11 ILE HD11 H 1 0.896 0.001 . . . . . . A 11 ILE HD11 . 30620 1 106 . 1 1 11 11 ILE HD12 H 1 0.896 0.001 . . . . . . A 11 ILE HD12 . 30620 1 107 . 1 1 11 11 ILE HD13 H 1 0.896 0.001 . . . . . . A 11 ILE HD13 . 30620 1 108 . 1 1 11 11 ILE CB C 13 38.862 0.000 . 1 . . . . A 11 ILE CB . 30620 1 109 . 1 1 11 11 ILE CG1 C 13 27.084 0.004 . 1 . . . . A 11 ILE CG1 . 30620 1 110 . 1 1 11 11 ILE CG2 C 13 17.400 0.000 . 1 . . . . A 11 ILE CG2 . 30620 1 111 . 1 1 11 11 ILE CD1 C 13 12.135 0.000 . 1 . . . . A 11 ILE CD1 . 30620 1 112 . 1 1 11 11 ILE N N 15 122.616 0.000 . 1 . . . . A 11 ILE N . 30620 1 113 . 1 1 12 12 CYS H H 1 8.623 0.004 . 1 . . . . A 12 CYS H . 30620 1 114 . 1 1 12 12 CYS HA H 1 5.787 0.003 . 1 . . . . A 12 CYS HA . 30620 1 115 . 1 1 12 12 CYS HB2 H 1 2.975 0.003 . 2 . . . . A 12 CYS HB2 . 30620 1 116 . 1 1 12 12 CYS HB3 H 1 2.561 0.005 . 2 . . . . A 12 CYS HB3 . 30620 1 117 . 1 1 12 12 CYS CA C 13 55.134 0.000 . 1 . . . . A 12 CYS CA . 30620 1 118 . 1 1 12 12 CYS CB C 13 47.751 0.021 . 1 . . . . A 12 CYS CB . 30620 1 119 . 1 1 12 12 CYS N N 15 124.235 0.000 . 1 . . . . A 12 CYS N . 30620 1 120 . 1 1 13 13 TYR H H 1 9.178 0.001 . 1 . . . . A 13 TYR H . 30620 1 121 . 1 1 13 13 TYR HA H 1 4.804 0.002 . 1 . . . . A 13 TYR HA . 30620 1 122 . 1 1 13 13 TYR HB2 H 1 3.065 0.007 . 2 . . . . A 13 TYR HB2 . 30620 1 123 . 1 1 13 13 TYR HB3 H 1 2.917 0.003 . 2 . . . . A 13 TYR HB3 . 30620 1 124 . 1 1 13 13 TYR HD1 H 1 7.021 0.006 . 3 . . . . A 13 TYR HD1 . 30620 1 125 . 1 1 13 13 TYR HD2 H 1 7.021 0.006 . 3 . . . . A 13 TYR HD2 . 30620 1 126 . 1 1 13 13 TYR HE1 H 1 6.731 0.002 . 3 . . . . A 13 TYR HE1 . 30620 1 127 . 1 1 13 13 TYR HE2 H 1 6.731 0.002 . 3 . . . . A 13 TYR HE2 . 30620 1 128 . 1 1 13 13 TYR CB C 13 40.763 0.000 . 1 . . . . A 13 TYR CB . 30620 1 129 . 1 1 13 13 TYR N N 15 120.892 0.000 . 1 . . . . A 13 TYR N . 30620 1 130 . 1 1 14 14 ARG H H 1 8.603 0.003 . 1 . . . . A 14 ARG H . 30620 1 131 . 1 1 14 14 ARG HA H 1 4.801 0.002 . 1 . . . . A 14 ARG HA . 30620 1 132 . 1 1 14 14 ARG HB2 H 1 1.708 0.000 . 2 . . . . A 14 ARG HB2 . 30620 1 133 . 1 1 14 14 ARG HB3 H 1 1.602 0.005 . 2 . . . . A 14 ARG HB3 . 30620 1 134 . 1 1 14 14 ARG HG2 H 1 1.430 0.001 . 2 . . . . A 14 ARG HG2 . 30620 1 135 . 1 1 14 14 ARG HG3 H 1 1.340 0.005 . 2 . . . . A 14 ARG HG3 . 30620 1 136 . 1 1 14 14 ARG HD2 H 1 3.090 0.000 . 2 . . . . A 14 ARG HD2 . 30620 1 137 . 1 1 14 14 ARG HD3 H 1 3.090 0.000 . 2 . . . . A 14 ARG HD3 . 30620 1 138 . 1 1 14 14 ARG CB C 13 31.715 0.012 . 1 . . . . A 14 ARG CB . 30620 1 139 . 1 1 14 14 ARG CG C 13 27.979 0.003 . 1 . . . . A 14 ARG CG . 30620 1 140 . 1 1 15 15 LYS H H 1 8.738 0.001 . 1 . . . . A 15 LYS H . 30620 1 141 . 1 1 15 15 LYS HA H 1 4.516 0.002 . 1 . . . . A 15 LYS HA . 30620 1 142 . 1 1 15 15 LYS HB2 H 1 1.718 0.001 . 2 . . . . A 15 LYS HB2 . 30620 1 143 . 1 1 15 15 LYS HB3 H 1 1.718 0.001 . 2 . . . . A 15 LYS HB3 . 30620 1 144 . 1 1 15 15 LYS HG2 H 1 1.279 0.006 . 2 . . . . A 15 LYS HG2 . 30620 1 145 . 1 1 15 15 LYS HG3 H 1 1.216 0.003 . 2 . . . . A 15 LYS HG3 . 30620 1 146 . 1 1 15 15 LYS HD2 H 1 1.397 0.003 . 2 . . . . A 15 LYS HD2 . 30620 1 147 . 1 1 15 15 LYS HD3 H 1 1.273 0.004 . 2 . . . . A 15 LYS HD3 . 30620 1 148 . 1 1 15 15 LYS HE2 H 1 2.955 0.003 . 2 . . . . A 15 LYS HE2 . 30620 1 149 . 1 1 15 15 LYS HE3 H 1 2.955 0.003 . 2 . . . . A 15 LYS HE3 . 30620 1 150 . 1 1 15 15 LYS CA C 13 54.655 0.000 . 1 . . . . A 15 LYS CA . 30620 1 151 . 1 1 15 15 LYS CB C 13 29.253 0.000 . 1 . . . . A 15 LYS CB . 30620 1 152 . 1 1 15 15 LYS CG C 13 24.983 0.011 . 1 . . . . A 15 LYS CG . 30620 1 153 . 1 1 15 15 LYS CD C 13 26.610 0.009 . 1 . . . . A 15 LYS CD . 30620 1 154 . 1 1 15 15 LYS CE C 13 42.015 0.000 . 1 . . . . A 15 LYS CE . 30620 1 155 . 1 1 15 15 LYS N N 15 128.354 0.000 . 1 . . . . A 15 LYS N . 30620 1 156 . 1 1 16 16 CYS H H 1 8.577 0.004 . 1 . . . . A 16 CYS H . 30620 1 157 . 1 1 16 16 CYS HA H 1 5.416 0.002 . 1 . . . . A 16 CYS HA . 30620 1 158 . 1 1 16 16 CYS HB2 H 1 2.921 0.003 . 2 . . . . A 16 CYS HB2 . 30620 1 159 . 1 1 16 16 CYS HB3 H 1 2.921 0.003 . 2 . . . . A 16 CYS HB3 . 30620 1 160 . 1 1 16 16 CYS CA C 13 55.640 0.000 . 1 . . . . A 16 CYS CA . 30620 1 161 . 1 1 16 16 CYS CB C 13 48.233 0.000 . 1 . . . . A 16 CYS CB . 30620 1 162 . 1 1 16 16 CYS N N 15 121.340 0.000 . 1 . . . . A 16 CYS N . 30620 1 163 . 1 1 17 17 ARG H H 1 9.202 0.001 . 1 . . . . A 17 ARG H . 30620 1 164 . 1 1 17 17 ARG HA H 1 4.582 0.004 . 1 . . . . A 17 ARG HA . 30620 1 165 . 1 1 17 17 ARG HB2 H 1 2.104 0.004 . 2 . . . . A 17 ARG HB2 . 30620 1 166 . 1 1 17 17 ARG HB3 H 1 1.959 0.004 . 2 . . . . A 17 ARG HB3 . 30620 1 167 . 1 1 17 17 ARG HG2 H 1 1.791 0.004 . 2 . . . . A 17 ARG HG2 . 30620 1 168 . 1 1 17 17 ARG HG3 H 1 1.710 0.003 . 2 . . . . A 17 ARG HG3 . 30620 1 169 . 1 1 17 17 ARG HD2 H 1 3.339 0.002 . 2 . . . . A 17 ARG HD2 . 30620 1 170 . 1 1 17 17 ARG HD3 H 1 3.339 0.002 . 2 . . . . A 17 ARG HD3 . 30620 1 171 . 1 1 17 17 ARG CA C 13 55.282 0.000 . 1 . . . . A 17 ARG CA . 30620 1 172 . 1 1 17 17 ARG CB C 13 31.303 0.000 . 1 . . . . A 17 ARG CB . 30620 1 173 . 1 1 17 17 ARG CG C 13 27.305 0.000 . 1 . . . . A 17 ARG CG . 30620 1 174 . 1 1 17 17 ARG CD C 13 43.626 0.000 . 1 . . . . A 17 ARG CD . 30620 1 175 . 1 1 17 17 ARG N N 15 125.462 0.000 . 1 . . . . A 17 ARG N . 30620 1 176 . 1 1 18 18 GLY HA2 H 1 4.099 0.002 . 2 . . . . A 18 GLY HA2 . 30620 1 177 . 1 1 18 18 GLY HA3 H 1 3.672 0.007 . 2 . . . . A 18 GLY HA3 . 30620 1 178 . 1 1 18 18 GLY CA C 13 46.688 0.003 . 1 . . . . A 18 GLY CA . 30620 1 stop_ save_