################################### # 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 30621 _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' . . . 30621 1 2 '2D 1H-1H NOESY' . . . 30621 1 3 '2D E.COSY' . . . 30621 1 4 '2D 1H-15N HSQC' . . . 30621 1 5 '2D 1H-13C HSQC' . . . 30621 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 LYS H H 1 8.582 0.002 . 1 . . . . A 1 LYS H1 . 30621 1 2 . 1 1 1 1 LYS HA H 1 4.060 0.001 . 1 . . . . A 1 LYS HA . 30621 1 3 . 1 1 1 1 LYS HB2 H 1 1.634 0.004 . 2 . . . . A 1 LYS HB2 . 30621 1 4 . 1 1 1 1 LYS HB3 H 1 1.415 0.002 . 2 . . . . A 1 LYS HB3 . 30621 1 5 . 1 1 1 1 LYS HG2 H 1 1.098 0.002 . 2 . . . . A 1 LYS HG2 . 30621 1 6 . 1 1 1 1 LYS HG3 H 1 1.000 0.004 . 2 . . . . A 1 LYS HG3 . 30621 1 7 . 1 1 1 1 LYS HD2 H 1 1.416 0.002 . 2 . . . . A 1 LYS HD2 . 30621 1 8 . 1 1 1 1 LYS HD3 H 1 1.416 0.002 . 2 . . . . A 1 LYS HD3 . 30621 1 9 . 1 1 1 1 LYS HE2 H 1 2.726 0.002 . 2 . . . . A 1 LYS HE2 . 30621 1 10 . 1 1 1 1 LYS HE3 H 1 2.726 0.002 . 2 . . . . A 1 LYS HE3 . 30621 1 11 . 1 1 1 1 LYS HZ1 H 1 7.345 0.001 . 1 . . . . A 1 LYS HZ1 . 30621 1 12 . 1 1 1 1 LYS HZ2 H 1 7.345 0.001 . 1 . . . . A 1 LYS HZ2 . 30621 1 13 . 1 1 1 1 LYS HZ3 H 1 7.345 0.001 . 1 . . . . A 1 LYS HZ3 . 30621 1 14 . 1 1 1 1 LYS CA C 13 56.507 0.000 . 1 . . . . A 1 LYS CA . 30621 1 15 . 1 1 1 1 LYS CB C 13 32.182 0.011 . 1 . . . . A 1 LYS CB . 30621 1 16 . 1 1 1 1 LYS CG C 13 24.444 0.017 . 1 . . . . A 1 LYS CG . 30621 1 17 . 1 1 1 1 LYS CD C 13 28.926 0.000 . 1 . . . . A 1 LYS CD . 30621 1 18 . 1 1 1 1 LYS CE C 13 41.785 0.000 . 1 . . . . A 1 LYS CE . 30621 1 19 . 1 1 1 1 LYS N N 15 125.314 0.000 . 1 . . . . A 1 LYS N . 30621 1 20 . 1 1 2 2 TRP H H 1 7.708 0.002 . 1 . . . . A 2 TRP H . 30621 1 21 . 1 1 2 2 TRP HA H 1 4.791 0.003 . 1 . . . . A 2 TRP HA . 30621 1 22 . 1 1 2 2 TRP HB2 H 1 3.391 0.005 . 2 . . . . A 2 TRP HB2 . 30621 1 23 . 1 1 2 2 TRP HB3 H 1 3.134 0.005 . 2 . . . . A 2 TRP HB3 . 30621 1 24 . 1 1 2 2 TRP HD1 H 1 7.187 0.001 . 1 . . . . A 2 TRP HD1 . 30621 1 25 . 1 1 2 2 TRP HE1 H 1 9.997 0.001 . 1 . . . . A 2 TRP HE1 . 30621 1 26 . 1 1 2 2 TRP HE3 H 1 7.267 0.000 . 1 . . . . A 2 TRP HE3 . 30621 1 27 . 1 1 2 2 TRP CA C 13 56.352 0.000 . 1 . . . . A 2 TRP CA . 30621 1 28 . 1 1 2 2 TRP CB C 13 29.884 0.004 . 1 . . . . A 2 TRP CB . 30621 1 29 . 1 1 2 2 TRP N N 15 122.184 0.000 . 1 . . . . A 2 TRP N . 30621 1 30 . 1 1 3 3 CYS H H 1 8.220 0.003 . 1 . . . . A 3 CYS H . 30621 1 31 . 1 1 3 3 CYS HA H 1 5.281 0.009 . 1 . . . . A 3 CYS HA . 30621 1 32 . 1 1 3 3 CYS HB2 H 1 2.779 0.000 . 2 . . . . A 3 CYS HB2 . 30621 1 33 . 1 1 3 3 CYS HB3 H 1 2.323 0.003 . 2 . . . . A 3 CYS HB3 . 30621 1 34 . 1 1 3 3 CYS CA C 13 55.400 0.000 . 1 . . . . A 3 CYS CA . 30621 1 35 . 1 1 3 3 CYS CB C 13 48.040 0.000 . 1 . . . . A 3 CYS CB . 30621 1 36 . 1 1 3 3 CYS N N 15 123.541 0.000 . 1 . . . . A 3 CYS N . 30621 1 37 . 1 1 4 4 PHE H H 1 8.600 0.002 . 1 . . . . A 4 PHE H . 30621 1 38 . 1 1 4 4 PHE HA H 1 4.646 0.012 . 1 . . . . A 4 PHE HA . 30621 1 39 . 1 1 4 4 PHE HB2 H 1 2.795 0.003 . 2 . . . . A 4 PHE HB2 . 30621 1 40 . 1 1 4 4 PHE HB3 H 1 2.795 0.003 . 2 . . . . A 4 PHE HB3 . 30621 1 41 . 1 1 4 4 PHE HD1 H 1 6.533 0.001 . 3 . . . . A 4 PHE HD1 . 30621 1 42 . 1 1 4 4 PHE HD2 H 1 6.533 0.001 . 3 . . . . A 4 PHE HD2 . 30621 1 43 . 1 1 4 4 PHE HE1 H 1 6.894 0.000 . 3 . . . . A 4 PHE HE1 . 30621 1 44 . 1 1 4 4 PHE HE2 H 1 6.894 0.000 . 3 . . . . A 4 PHE HE2 . 30621 1 45 . 1 1 4 4 PHE CA C 13 56.145 0.000 . 1 . . . . A 4 PHE CA . 30621 1 46 . 1 1 4 4 PHE CB C 13 42.058 0.000 . 1 . . . . A 4 PHE CB . 30621 1 47 . 1 1 4 4 PHE N N 15 119.837 0.000 . 1 . . . . A 4 PHE N . 30621 1 48 . 1 1 5 5 ARG H H 1 8.429 0.002 . 1 . . . . A 5 ARG H . 30621 1 49 . 1 1 5 5 ARG HA H 1 4.771 0.006 . 1 . . . . A 5 ARG HA . 30621 1 50 . 1 1 5 5 ARG HB2 H 1 1.562 0.003 . 2 . . . . A 5 ARG HB2 . 30621 1 51 . 1 1 5 5 ARG HB3 H 1 1.489 0.002 . 2 . . . . A 5 ARG HB3 . 30621 1 52 . 1 1 5 5 ARG HG2 H 1 1.345 0.001 . 2 . . . . A 5 ARG HG2 . 30621 1 53 . 1 1 5 5 ARG HG3 H 1 1.265 0.000 . 2 . . . . A 5 ARG HG3 . 30621 1 54 . 1 1 5 5 ARG HD2 H 1 2.953 0.005 . 2 . . . . A 5 ARG HD2 . 30621 1 55 . 1 1 5 5 ARG HD3 H 1 2.953 0.005 . 2 . . . . A 5 ARG HD3 . 30621 1 56 . 1 1 5 5 ARG HE H 1 7.033 0.000 . 1 . . . . A 5 ARG HE . 30621 1 57 . 1 1 5 5 ARG CA C 13 55.249 0.000 . 1 . . . . A 5 ARG CA . 30621 1 58 . 1 1 5 5 ARG CB C 13 32.186 0.008 . 1 . . . . A 5 ARG CB . 30621 1 59 . 1 1 5 5 ARG CG C 13 27.925 0.000 . 1 . . . . A 5 ARG CG . 30621 1 60 . 1 1 5 5 ARG CD C 13 43.704 0.000 . 1 . . . . A 5 ARG CD . 30621 1 61 . 1 1 5 5 ARG N N 15 121.062 0.000 . 1 . . . . A 5 ARG N . 30621 1 62 . 1 1 6 6 VAL H H 1 8.714 0.003 . 1 . . . . A 6 VAL H . 30621 1 63 . 1 1 6 6 VAL HA H 1 4.185 0.002 . 1 . . . . A 6 VAL HA . 30621 1 64 . 1 1 6 6 VAL HB H 1 1.435 0.006 . 1 . . . . A 6 VAL HB . 30621 1 65 . 1 1 6 6 VAL HG11 H 1 0.717 0.012 . . . . . . A 6 VAL HG11 . 30621 1 66 . 1 1 6 6 VAL HG12 H 1 0.717 0.012 . . . . . . A 6 VAL HG12 . 30621 1 67 . 1 1 6 6 VAL HG13 H 1 0.717 0.012 . . . . . . A 6 VAL HG13 . 30621 1 68 . 1 1 6 6 VAL HG21 H 1 0.693 0.008 . . . . . . A 6 VAL HG21 . 30621 1 69 . 1 1 6 6 VAL HG22 H 1 0.693 0.008 . . . . . . A 6 VAL HG22 . 30621 1 70 . 1 1 6 6 VAL HG23 H 1 0.693 0.008 . . . . . . A 6 VAL HG23 . 30621 1 71 . 1 1 6 6 VAL CA C 13 60.907 0.000 . 1 . . . . A 6 VAL CA . 30621 1 72 . 1 1 6 6 VAL CB C 13 34.448 0.000 . 1 . . . . A 6 VAL CB . 30621 1 73 . 1 1 6 6 VAL CG1 C 13 21.103 0.000 . 2 . . . . A 6 VAL CG1 . 30621 1 74 . 1 1 6 6 VAL CG2 C 13 21.095 0.000 . 2 . . . . A 6 VAL CG2 . 30621 1 75 . 1 1 6 6 VAL N N 15 126.108 0.000 . 1 . . . . A 6 VAL N . 30621 1 76 . 1 1 7 7 CYS H H 1 8.465 0.004 . 1 . . . . A 7 CYS H . 30621 1 77 . 1 1 7 7 CYS HA H 1 5.459 0.002 . 1 . . . . A 7 CYS HA . 30621 1 78 . 1 1 7 7 CYS HB2 H 1 2.868 0.002 . 2 . . . . A 7 CYS HB2 . 30621 1 79 . 1 1 7 7 CYS HB3 H 1 2.502 0.007 . 2 . . . . A 7 CYS HB3 . 30621 1 80 . 1 1 7 7 CYS CA C 13 55.200 0.000 . 1 . . . . A 7 CYS CA . 30621 1 81 . 1 1 7 7 CYS CB C 13 48.677 0.001 . 1 . . . . A 7 CYS CB . 30621 1 82 . 1 1 7 7 CYS N N 15 122.716 0.000 . 1 . . . . A 7 CYS N . 30621 1 83 . 1 1 8 8 TYR H H 1 8.939 0.002 . 1 . . . . A 8 TYR H . 30621 1 84 . 1 1 8 8 TYR HA H 1 4.584 0.005 . 1 . . . . A 8 TYR HA . 30621 1 85 . 1 1 8 8 TYR HB2 H 1 2.890 0.005 . 2 . . . . A 8 TYR HB2 . 30621 1 86 . 1 1 8 8 TYR HB3 H 1 2.890 0.005 . 2 . . . . A 8 TYR HB3 . 30621 1 87 . 1 1 8 8 TYR HD1 H 1 7.086 0.004 . 3 . . . . A 8 TYR HD1 . 30621 1 88 . 1 1 8 8 TYR HD2 H 1 7.086 0.004 . 3 . . . . A 8 TYR HD2 . 30621 1 89 . 1 1 8 8 TYR HE1 H 1 6.688 0.001 . 3 . . . . A 8 TYR HE1 . 30621 1 90 . 1 1 8 8 TYR HE2 H 1 6.688 0.001 . 3 . . . . A 8 TYR HE2 . 30621 1 91 . 1 1 8 8 TYR CA C 13 57.552 0.000 . 1 . . . . A 8 TYR CA . 30621 1 92 . 1 1 8 8 TYR CB C 13 40.742 0.000 . 1 . . . . A 8 TYR CB . 30621 1 93 . 1 1 8 8 TYR N N 15 123.423 0.000 . 1 . . . . A 8 TYR N . 30621 1 94 . 1 1 9 9 ARG H H 1 9.099 0.005 . 1 . . . . A 9 ARG H . 30621 1 95 . 1 1 9 9 ARG HA H 1 3.554 0.001 . 1 . . . . A 9 ARG HA . 30621 1 96 . 1 1 9 9 ARG HB2 H 1 1.759 0.002 . 2 . . . . A 9 ARG HB2 . 30621 1 97 . 1 1 9 9 ARG HB3 H 1 1.451 0.006 . 2 . . . . A 9 ARG HB3 . 30621 1 98 . 1 1 9 9 ARG HG2 H 1 1.070 0.005 . 2 . . . . A 9 ARG HG2 . 30621 1 99 . 1 1 9 9 ARG HG3 H 1 0.760 0.006 . 2 . . . . A 9 ARG HG3 . 30621 1 100 . 1 1 9 9 ARG HD2 H 1 2.906 0.002 . 2 . . . . A 9 ARG HD2 . 30621 1 101 . 1 1 9 9 ARG HD3 H 1 2.906 0.002 . 2 . . . . A 9 ARG HD3 . 30621 1 102 . 1 1 9 9 ARG HE H 1 6.876 0.000 . 1 . . . . A 9 ARG HE . 30621 1 103 . 1 1 9 9 ARG CA C 13 57.140 0.000 . 1 . . . . A 9 ARG CA . 30621 1 104 . 1 1 9 9 ARG CB C 13 27.964 0.007 . 1 . . . . A 9 ARG CB . 30621 1 105 . 1 1 9 9 ARG CG C 13 27.345 0.001 . 1 . . . . A 9 ARG CG . 30621 1 106 . 1 1 9 9 ARG CD C 13 43.612 0.000 . 1 . . . . A 9 ARG CD . 30621 1 107 . 1 1 9 9 ARG N N 15 125.339 0.000 . 1 . . . . A 9 ARG N . 30621 1 108 . 1 1 10 10 GLY H H 1 8.420 0.002 . 1 . . . . A 10 GLY H . 30621 1 109 . 1 1 10 10 GLY HA2 H 1 4.004 0.002 . 2 . . . . A 10 GLY HA2 . 30621 1 110 . 1 1 10 10 GLY HA3 H 1 3.412 0.003 . 2 . . . . A 10 GLY HA3 . 30621 1 111 . 1 1 10 10 GLY CA C 13 45.196 0.000 . 1 . . . . A 10 GLY CA . 30621 1 112 . 1 1 10 10 GLY N N 15 103.740 0.000 . 1 . . . . A 10 GLY N . 30621 1 113 . 1 1 11 11 ILE H H 1 7.664 0.004 . 1 . . . . A 11 ILE H . 30621 1 114 . 1 1 11 11 ILE HA H 1 4.185 0.002 . 1 . . . . A 11 ILE HA . 30621 1 115 . 1 1 11 11 ILE HB H 1 1.895 0.002 . 1 . . . . A 11 ILE HB . 30621 1 116 . 1 1 11 11 ILE HG12 H 1 1.370 0.003 . 2 . . . . A 11 ILE HG12 . 30621 1 117 . 1 1 11 11 ILE HG13 H 1 1.037 0.002 . 2 . . . . A 11 ILE HG13 . 30621 1 118 . 1 1 11 11 ILE HG21 H 1 0.684 0.001 . . . . . . A 11 ILE HG21 . 30621 1 119 . 1 1 11 11 ILE HG22 H 1 0.684 0.001 . . . . . . A 11 ILE HG22 . 30621 1 120 . 1 1 11 11 ILE HG23 H 1 0.684 0.001 . . . . . . A 11 ILE HG23 . 30621 1 121 . 1 1 11 11 ILE HD11 H 1 0.738 0.002 . . . . . . A 11 ILE HD11 . 30621 1 122 . 1 1 11 11 ILE HD12 H 1 0.738 0.002 . . . . . . A 11 ILE HD12 . 30621 1 123 . 1 1 11 11 ILE HD13 H 1 0.738 0.002 . . . . . . A 11 ILE HD13 . 30621 1 124 . 1 1 11 11 ILE CA C 13 60.060 0.000 . 1 . . . . A 11 ILE CA . 30621 1 125 . 1 1 11 11 ILE CB C 13 38.883 0.000 . 1 . . . . A 11 ILE CB . 30621 1 126 . 1 1 11 11 ILE CG1 C 13 27.060 0.007 . 1 . . . . A 11 ILE CG1 . 30621 1 127 . 1 1 11 11 ILE CG2 C 13 17.407 0.000 . 1 . . . . A 11 ILE CG2 . 30621 1 128 . 1 1 11 11 ILE CD1 C 13 12.140 0.000 . 1 . . . . A 11 ILE CD1 . 30621 1 129 . 1 1 11 11 ILE N N 15 122.449 0.000 . 1 . . . . A 11 ILE N . 30621 1 130 . 1 1 12 12 CYS H H 1 8.500 0.002 . 1 . . . . A 12 CYS H . 30621 1 131 . 1 1 12 12 CYS HA H 1 5.637 0.002 . 1 . . . . A 12 CYS HA . 30621 1 132 . 1 1 12 12 CYS HB2 H 1 2.816 0.003 . 2 . . . . A 12 CYS HB2 . 30621 1 133 . 1 1 12 12 CYS HB3 H 1 2.405 0.003 . 2 . . . . A 12 CYS HB3 . 30621 1 134 . 1 1 12 12 CYS CA C 13 55.133 0.000 . 1 . . . . A 12 CYS CA . 30621 1 135 . 1 1 12 12 CYS CB C 13 47.761 0.022 . 1 . . . . A 12 CYS CB . 30621 1 136 . 1 1 12 12 CYS N N 15 124.207 0.000 . 1 . . . . A 12 CYS N . 30621 1 137 . 1 1 13 13 TYR H H 1 9.022 0.001 . 1 . . . . A 13 TYR H . 30621 1 138 . 1 1 13 13 TYR HA H 1 4.665 0.001 . 1 . . . . A 13 TYR HA . 30621 1 139 . 1 1 13 13 TYR HB2 H 1 2.905 0.005 . 2 . . . . A 13 TYR HB2 . 30621 1 140 . 1 1 13 13 TYR HB3 H 1 2.759 0.002 . 2 . . . . A 13 TYR HB3 . 30621 1 141 . 1 1 13 13 TYR HD1 H 1 6.855 0.002 . 3 . . . . A 13 TYR HD1 . 30621 1 142 . 1 1 13 13 TYR HD2 H 1 6.855 0.002 . 3 . . . . A 13 TYR HD2 . 30621 1 143 . 1 1 13 13 TYR HE1 H 1 6.546 0.000 . 3 . . . . A 13 TYR HE1 . 30621 1 144 . 1 1 13 13 TYR HE2 H 1 6.546 0.000 . 3 . . . . A 13 TYR HE2 . 30621 1 145 . 1 1 13 13 TYR CA C 13 55.358 0.000 . 1 . . . . A 13 TYR CA . 30621 1 146 . 1 1 13 13 TYR CB C 13 40.738 0.000 . 1 . . . . A 13 TYR CB . 30621 1 147 . 1 1 13 13 TYR N N 15 120.714 0.000 . 1 . . . . A 13 TYR N . 30621 1 148 . 1 1 14 14 ARG H H 1 8.458 0.002 . 1 . . . . A 14 ARG H . 30621 1 149 . 1 1 14 14 ARG HA H 1 4.605 0.011 . 1 . . . . A 14 ARG HA . 30621 1 150 . 1 1 14 14 ARG HB2 H 1 1.543 0.002 . 2 . . . . A 14 ARG HB2 . 30621 1 151 . 1 1 14 14 ARG HB3 H 1 1.443 0.002 . 2 . . . . A 14 ARG HB3 . 30621 1 152 . 1 1 14 14 ARG HG2 H 1 1.270 0.003 . 2 . . . . A 14 ARG HG2 . 30621 1 153 . 1 1 14 14 ARG HG3 H 1 1.173 0.004 . 2 . . . . A 14 ARG HG3 . 30621 1 154 . 1 1 14 14 ARG HD2 H 1 2.932 0.000 . 2 . . . . A 14 ARG HD2 . 30621 1 155 . 1 1 14 14 ARG HD3 H 1 2.932 0.000 . 2 . . . . A 14 ARG HD3 . 30621 1 156 . 1 1 14 14 ARG HE H 1 7.026 0.000 . 1 . . . . A 14 ARG HE . 30621 1 157 . 1 1 14 14 ARG CA C 13 55.328 0.000 . 1 . . . . A 14 ARG CA . 30621 1 158 . 1 1 14 14 ARG CB C 13 31.676 0.036 . 1 . . . . A 14 ARG CB . 30621 1 159 . 1 1 14 14 ARG CG C 13 27.966 0.012 . 1 . . . . A 14 ARG CG . 30621 1 160 . 1 1 14 14 ARG N N 15 121.384 0.000 . 1 . . . . A 14 ARG N . 30621 1 161 . 1 1 15 15 LYS H H 1 8.577 0.002 . 1 . . . . A 15 LYS H . 30621 1 162 . 1 1 15 15 LYS HA H 1 4.346 0.003 . 1 . . . . A 15 LYS HA . 30621 1 163 . 1 1 15 15 LYS HB2 H 1 1.218 0.004 . 2 . . . . A 15 LYS HB2 . 30621 1 164 . 1 1 15 15 LYS HB3 H 1 1.101 0.003 . 2 . . . . A 15 LYS HB3 . 30621 1 165 . 1 1 15 15 LYS HG2 H 1 1.115 0.009 . 2 . . . . A 15 LYS HG2 . 30621 1 166 . 1 1 15 15 LYS HG3 H 1 1.053 0.004 . 2 . . . . A 15 LYS HG3 . 30621 1 167 . 1 1 15 15 LYS HD2 H 1 1.559 0.002 . 2 . . . . A 15 LYS HD2 . 30621 1 168 . 1 1 15 15 LYS HD3 H 1 1.559 0.002 . 2 . . . . A 15 LYS HD3 . 30621 1 169 . 1 1 15 15 LYS HE2 H 1 2.800 0.001 . 2 . . . . A 15 LYS HE2 . 30621 1 170 . 1 1 15 15 LYS HE3 H 1 2.800 0.001 . 2 . . . . A 15 LYS HE3 . 30621 1 171 . 1 1 15 15 LYS HZ1 H 1 7.464 0.002 . 1 . . . . A 15 LYS HZ1 . 30621 1 172 . 1 1 15 15 LYS HZ2 H 1 7.464 0.002 . 1 . . . . A 15 LYS HZ2 . 30621 1 173 . 1 1 15 15 LYS HZ3 H 1 7.464 0.002 . 1 . . . . A 15 LYS HZ3 . 30621 1 174 . 1 1 15 15 LYS CA C 13 54.644 0.000 . 1 . . . . A 15 LYS CA . 30621 1 175 . 1 1 15 15 LYS CB C 13 35.648 0.004 . 1 . . . . A 15 LYS CB . 30621 1 176 . 1 1 15 15 LYS CG C 13 24.998 0.010 . 1 . . . . A 15 LYS CG . 30621 1 177 . 1 1 15 15 LYS CD C 13 29.303 0.000 . 1 . . . . A 15 LYS CD . 30621 1 178 . 1 1 15 15 LYS N N 15 128.301 0.000 . 1 . . . . A 15 LYS N . 30621 1 179 . 1 1 16 16 CYS H H 1 8.418 0.003 . 1 . . . . A 16 CYS H . 30621 1 180 . 1 1 16 16 CYS HA H 1 5.252 0.001 . 1 . . . . A 16 CYS HA . 30621 1 181 . 1 1 16 16 CYS HB2 H 1 2.756 0.005 . 2 . . . . A 16 CYS HB2 . 30621 1 182 . 1 1 16 16 CYS HB3 H 1 2.756 0.005 . 2 . . . . A 16 CYS HB3 . 30621 1 183 . 1 1 16 16 CYS CA C 13 55.617 0.000 . 1 . . . . A 16 CYS CA . 30621 1 184 . 1 1 16 16 CYS CB C 13 48.268 0.000 . 1 . . . . A 16 CYS CB . 30621 1 185 . 1 1 16 16 CYS N N 15 119.761 0.000 . 1 . . . . A 16 CYS N . 30621 1 186 . 1 1 17 17 ARG H H 1 9.073 0.003 . 1 . . . . A 17 ARG H . 30621 1 187 . 1 1 17 17 ARG HA H 1 4.427 0.003 . 1 . . . . A 17 ARG HA . 30621 1 188 . 1 1 17 17 ARG HB2 H 1 1.950 0.003 . 2 . . . . A 17 ARG HB2 . 30621 1 189 . 1 1 17 17 ARG HB3 H 1 1.804 0.002 . 2 . . . . A 17 ARG HB3 . 30621 1 190 . 1 1 17 17 ARG HG2 H 1 1.632 0.003 . 2 . . . . A 17 ARG HG2 . 30621 1 191 . 1 1 17 17 ARG HG3 H 1 1.552 0.004 . 2 . . . . A 17 ARG HG3 . 30621 1 192 . 1 1 17 17 ARG HD2 H 1 3.185 0.001 . 2 . . . . A 17 ARG HD2 . 30621 1 193 . 1 1 17 17 ARG HD3 H 1 3.185 0.002 . 2 . . . . A 17 ARG HD3 . 30621 1 194 . 1 1 17 17 ARG HE H 1 7.177 0.000 . 1 . . . . A 17 ARG HE . 30621 1 195 . 1 1 17 17 ARG CA C 13 55.270 0.000 . 1 . . . . A 17 ARG CA . 30621 1 196 . 1 1 17 17 ARG CB C 13 31.275 0.004 . 1 . . . . A 17 ARG CB . 30621 1 197 . 1 1 17 17 ARG CG C 13 27.293 0.000 . 1 . . . . A 17 ARG CG . 30621 1 198 . 1 1 17 17 ARG CD C 13 43.641 0.000 . 1 . . . . A 17 ARG CD . 30621 1 199 . 1 1 17 17 ARG N N 15 125.301 0.000 . 1 . . . . A 17 ARG N . 30621 1 200 . 1 1 18 18 GLY H H 1 8.811 0.002 . 1 . . . . A 18 GLY H . 30621 1 201 . 1 1 18 18 GLY HA2 H 1 3.942 0.004 . 2 . . . . A 18 GLY HA2 . 30621 1 202 . 1 1 18 18 GLY HA3 H 1 3.511 0.005 . 2 . . . . A 18 GLY HA3 . 30621 1 203 . 1 1 18 18 GLY CA C 13 46.672 0.006 . 1 . . . . A 18 GLY CA . 30621 1 204 . 1 1 18 18 GLY N N 15 116.372 0.000 . 1 . . . . A 18 GLY N . 30621 1 stop_ save_