################################### # 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 30519 _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 $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' . . . 30519 1 2 '2D 1H-1H NOESY' . . . 30519 1 3 '2D 1H-15N HSQC' . . . 30519 1 4 '2D 1H-1H TOCSY' . . . 30519 1 5 '2D 1H-13C HSQC' . . . 30519 1 6 '2D 1H-1H NOESY' . . . 30519 1 7 '2D ECOSY' . . . 30519 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 4.056 0.008 . 1 . . . . A 1 ARG HA . 30519 1 2 . 1 1 1 1 ARG HB2 H 1 1.930 0.005 . 2 . . . . A 1 ARG HB2 . 30519 1 3 . 1 1 1 1 ARG HB3 H 1 1.927 0.000 . 2 . . . . A 1 ARG HB3 . 30519 1 4 . 1 1 1 1 ARG HG2 H 1 1.619 0.004 . 2 . . . . A 1 ARG HG2 . 30519 1 5 . 1 1 1 1 ARG HG3 H 1 1.697 0.003 . 2 . . . . A 1 ARG HG3 . 30519 1 6 . 1 1 1 1 ARG HD2 H 1 3.169 0.009 . 2 . . . . A 1 ARG HD2 . 30519 1 7 . 1 1 1 1 ARG HD3 H 1 3.187 0.023 . 2 . . . . A 1 ARG HD3 . 30519 1 8 . 1 1 1 1 ARG HE H 1 7.291 0.002 . 1 . . . . A 1 ARG HE . 30519 1 9 . 1 1 1 1 ARG CA C 13 55.329 0.000 . 1 . . . . A 1 ARG CA . 30519 1 10 . 1 1 1 1 ARG CB C 13 30.686 0.000 . 1 . . . . A 1 ARG CB . 30519 1 11 . 1 1 1 1 ARG CG C 13 26.283 0.019 . 1 . . . . A 1 ARG CG . 30519 1 12 . 1 1 2 2 ASP H H 1 8.872 0.001 . 1 . . . . A 2 ASP H . 30519 1 13 . 1 1 2 2 ASP HA H 1 4.717 0.004 . 1 . . . . A 2 ASP HA . 30519 1 14 . 1 1 2 2 ASP HB2 H 1 2.827 0.006 . 2 . . . . A 2 ASP HB2 . 30519 1 15 . 1 1 2 2 ASP HB3 H 1 3.040 0.002 . 2 . . . . A 2 ASP HB3 . 30519 1 16 . 1 1 2 2 ASP CA C 13 53.941 0.000 . 1 . . . . A 2 ASP CA . 30519 1 17 . 1 1 2 2 ASP CB C 13 41.812 0.000 . 1 . . . . A 2 ASP CB . 30519 1 18 . 1 1 2 2 ASP N N 15 127.328 0.000 . 1 . . . . A 2 ASP N . 30519 1 19 . 1 1 3 3 CYS H H 1 8.698 0.009 . 1 . . . . A 3 CYS H . 30519 1 20 . 1 1 3 3 CYS HA H 1 4.345 0.003 . 1 . . . . A 3 CYS HA . 30519 1 21 . 1 1 3 3 CYS HB2 H 1 2.634 0.005 . 2 . . . . A 3 CYS HB2 . 30519 1 22 . 1 1 3 3 CYS HB3 H 1 2.967 0.003 . 2 . . . . A 3 CYS HB3 . 30519 1 23 . 1 1 3 3 CYS CA C 13 59.245 0.000 . 1 . . . . A 3 CYS CA . 30519 1 24 . 1 1 3 3 CYS CB C 13 40.649 0.014 . 1 . . . . A 3 CYS CB . 30519 1 25 . 1 1 3 3 CYS N N 15 119.832 0.000 . 1 . . . . A 3 CYS N . 30519 1 26 . 1 1 4 4 CYS H H 1 8.199 0.008 . 1 . . . . A 4 CYS H . 30519 1 27 . 1 1 4 4 CYS HA H 1 4.564 0.004 . 1 . . . . A 4 CYS HA . 30519 1 28 . 1 1 4 4 CYS HB2 H 1 2.906 0.008 . 2 . . . . A 4 CYS HB2 . 30519 1 29 . 1 1 4 4 CYS HB3 H 1 3.519 0.005 . 2 . . . . A 4 CYS HB3 . 30519 1 30 . 1 1 4 4 CYS CA C 13 53.150 0.000 . 1 . . . . A 4 CYS CA . 30519 1 31 . 1 1 4 4 CYS CB C 13 39.958 0.006 . 1 . . . . A 4 CYS CB . 30519 1 32 . 1 1 4 4 CYS N N 15 111.633 0.000 . 1 . . . . A 4 CYS N . 30519 1 33 . 1 1 5 5 THR H H 1 7.724 0.003 . 1 . . . . A 5 THR H . 30519 1 34 . 1 1 5 5 THR HA H 1 4.401 0.003 . 1 . . . . A 5 THR HA . 30519 1 35 . 1 1 5 5 THR HB H 1 3.991 0.003 . 1 . . . . A 5 THR HB . 30519 1 36 . 1 1 5 5 THR HG21 H 1 1.283 0.002 . 1 . . . . A 5 THR HG21 . 30519 1 37 . 1 1 5 5 THR HG22 H 1 1.283 0.002 . 1 . . . . A 5 THR HG22 . 30519 1 38 . 1 1 5 5 THR HG23 H 1 1.283 0.002 . 1 . . . . A 5 THR HG23 . 30519 1 39 . 1 1 5 5 THR CA C 13 60.915 0.000 . 1 . . . . A 5 THR CA . 30519 1 40 . 1 1 5 5 THR CB C 13 69.580 0.000 . 1 . . . . A 5 THR CB . 30519 1 41 . 1 1 5 5 THR CG2 C 13 21.187 0.000 . 1 . . . . A 5 THR CG2 . 30519 1 42 . 1 1 5 5 THR N N 15 116.805 0.000 . 1 . . . . A 5 THR N . 30519 1 43 . 1 1 6 6 HYP CB C 13 39.258 0.009 . 1 . . . . A 6 HYP CB . 30519 1 44 . 1 1 6 6 HYP CD C 13 58.910 0.004 . 1 . . . . A 6 HYP CD . 30519 1 45 . 1 1 6 6 HYP CG C 13 72.814 0.000 . 1 . . . . A 6 HYP CG . 30519 1 46 . 1 1 6 6 HYP HA H 1 4.843 0.006 . 1 . . . . A 6 HYP HA . 30519 1 47 . 1 1 6 6 HYP HB2 H 1 2.388 0.004 . 2 . . . . A 6 HYP HB2 . 30519 1 48 . 1 1 6 6 HYP HB3 H 1 2.018 0.003 . 2 . . . . A 6 HYP HB3 . 30519 1 49 . 1 1 6 6 HYP HD22 H 1 4.125 0.004 . 2 . . . . A 6 HYP HD22 . 30519 1 50 . 1 1 6 6 HYP HD23 H 1 3.873 0.003 . 2 . . . . A 6 HYP HD23 . 30519 1 51 . 1 1 6 6 HYP HG H 1 4.691 0.004 . 2 . . . . A 6 HYP HG . 30519 1 52 . 1 1 7 7 HYP CB C 13 40.990 0.008 . 1 . . . . A 7 HYP CB . 30519 1 53 . 1 1 7 7 HYP CD C 13 57.966 0.001 . 1 . . . . A 7 HYP CD . 30519 1 54 . 1 1 7 7 HYP CG C 13 71.096 4.618 . 1 . . . . A 7 HYP CG . 30519 1 55 . 1 1 7 7 HYP HA H 1 4.812 0.008 . 1 . . . . A 7 HYP HA . 30519 1 56 . 1 1 7 7 HYP HB2 H 1 2.426 0.007 . 2 . . . . A 7 HYP HB2 . 30519 1 57 . 1 1 7 7 HYP HB3 H 1 2.348 0.009 . 2 . . . . A 7 HYP HB3 . 30519 1 58 . 1 1 7 7 HYP HD22 H 1 3.725 0.005 . 2 . . . . A 7 HYP HD22 . 30519 1 59 . 1 1 7 7 HYP HD23 H 1 3.527 0.004 . 2 . . . . A 7 HYP HD23 . 30519 1 60 . 1 1 7 7 HYP HG H 1 4.618 0.007 . 2 . . . . A 7 HYP HG . 30519 1 61 . 1 1 8 8 LYS H H 1 8.873 0.002 . 1 . . . . A 8 LYS H . 30519 1 62 . 1 1 8 8 LYS HA H 1 4.041 0.005 . 1 . . . . A 8 LYS HA . 30519 1 63 . 1 1 8 8 LYS HB2 H 1 1.827 0.002 . 2 . . . . A 8 LYS HB2 . 30519 1 64 . 1 1 8 8 LYS HB3 H 1 1.994 0.006 . 2 . . . . A 8 LYS HB3 . 30519 1 65 . 1 1 8 8 LYS HG2 H 1 1.271 0.002 . 2 . . . . A 8 LYS HG2 . 30519 1 66 . 1 1 8 8 LYS HG3 H 1 1.470 0.006 . 2 . . . . A 8 LYS HG3 . 30519 1 67 . 1 1 8 8 LYS HD2 H 1 1.646 0.000 . 2 . . . . A 8 LYS HD2 . 30519 1 68 . 1 1 8 8 LYS HD3 H 1 1.714 0.000 . 2 . . . . A 8 LYS HD3 . 30519 1 69 . 1 1 8 8 LYS HE2 H 1 3.038 0.007 . 2 . . . . A 8 LYS HE2 . 30519 1 70 . 1 1 8 8 LYS HE3 H 1 3.038 0.007 . 2 . . . . A 8 LYS HE3 . 30519 1 71 . 1 1 8 8 LYS HZ1 H 1 7.573 0.005 . 1 . . . . A 8 LYS HZ1 . 30519 1 72 . 1 1 8 8 LYS HZ2 H 1 7.573 0.005 . 1 . . . . A 8 LYS HZ2 . 30519 1 73 . 1 1 8 8 LYS HZ3 H 1 7.573 0.005 . 1 . . . . A 8 LYS HZ3 . 30519 1 74 . 1 1 8 8 LYS CA C 13 57.982 0.000 . 1 . . . . A 8 LYS CA . 30519 1 75 . 1 1 8 8 LYS CB C 13 33.623 0.004 . 1 . . . . A 8 LYS CB . 30519 1 76 . 1 1 8 8 LYS CG C 13 25.903 0.014 . 1 . . . . A 8 LYS CG . 30519 1 77 . 1 1 8 8 LYS N N 15 127.357 0.000 . 1 . . . . A 8 LYS N . 30519 1 78 . 1 1 9 9 LYS H H 1 8.224 0.003 . 1 . . . . A 9 LYS H . 30519 1 79 . 1 1 9 9 LYS HA H 1 4.852 0.011 . 1 . . . . A 9 LYS HA . 30519 1 80 . 1 1 9 9 LYS HB2 H 1 1.941 0.008 . 2 . . . . A 9 LYS HB2 . 30519 1 81 . 1 1 9 9 LYS HB3 H 1 2.202 0.005 . 2 . . . . A 9 LYS HB3 . 30519 1 82 . 1 1 9 9 LYS HG2 H 1 1.510 0.007 . 2 . . . . A 9 LYS HG2 . 30519 1 83 . 1 1 9 9 LYS HG3 H 1 1.517 0.000 . 2 . . . . A 9 LYS HG3 . 30519 1 84 . 1 1 9 9 LYS HD2 H 1 1.691 0.000 . 2 . . . . A 9 LYS HD2 . 30519 1 85 . 1 1 9 9 LYS HD3 H 1 1.689 0.004 . 2 . . . . A 9 LYS HD3 . 30519 1 86 . 1 1 9 9 LYS CA C 13 54.834 0.000 . 1 . . . . A 9 LYS CA . 30519 1 87 . 1 1 9 9 LYS CB C 13 31.516 0.056 . 1 . . . . A 9 LYS CB . 30519 1 88 . 1 1 9 9 LYS N N 15 124.517 0.000 . 1 . . . . A 9 LYS N . 30519 1 89 . 1 1 10 10 CYS H H 1 7.391 0.009 . 1 . . . . A 10 CYS H . 30519 1 90 . 1 1 10 10 CYS HA H 1 4.374 0.003 . 1 . . . . A 10 CYS HA . 30519 1 91 . 1 1 10 10 CYS HB2 H 1 2.810 0.006 . 2 . . . . A 10 CYS HB2 . 30519 1 92 . 1 1 10 10 CYS HB3 H 1 3.225 0.006 . 2 . . . . A 10 CYS HB3 . 30519 1 93 . 1 1 10 10 CYS CA C 13 55.760 0.000 . 1 . . . . A 10 CYS CA . 30519 1 94 . 1 1 10 10 CYS CB C 13 36.503 0.000 . 1 . . . . A 10 CYS CB . 30519 1 95 . 1 1 10 10 CYS N N 15 114.559 0.000 . 1 . . . . A 10 CYS N . 30519 1 96 . 1 1 11 11 LYS H H 1 8.406 0.002 . 1 . . . . A 11 LYS H . 30519 1 97 . 1 1 11 11 LYS HA H 1 4.235 0.004 . 1 . . . . A 11 LYS HA . 30519 1 98 . 1 1 11 11 LYS HB2 H 1 1.815 0.003 . 2 . . . . A 11 LYS HB2 . 30519 1 99 . 1 1 11 11 LYS HB3 H 1 1.878 0.000 . 2 . . . . A 11 LYS HB3 . 30519 1 100 . 1 1 11 11 LYS HG2 H 1 1.383 0.004 . 2 . . . . A 11 LYS HG2 . 30519 1 101 . 1 1 11 11 LYS HG3 H 1 1.488 0.001 . 2 . . . . A 11 LYS HG3 . 30519 1 102 . 1 1 11 11 LYS HD2 H 1 1.668 0.008 . 2 . . . . A 11 LYS HD2 . 30519 1 103 . 1 1 11 11 LYS HD3 H 1 1.668 0.008 . 2 . . . . A 11 LYS HD3 . 30519 1 104 . 1 1 11 11 LYS HE2 H 1 2.992 0.002 . 2 . . . . A 11 LYS HE2 . 30519 1 105 . 1 1 11 11 LYS HE3 H 1 2.992 0.002 . 2 . . . . A 11 LYS HE3 . 30519 1 106 . 1 1 11 11 LYS HZ1 H 1 7.526 0.000 . 1 . . . . A 11 LYS HZ1 . 30519 1 107 . 1 1 11 11 LYS HZ2 H 1 7.526 0.000 . 1 . . . . A 11 LYS HZ2 . 30519 1 108 . 1 1 11 11 LYS HZ3 H 1 7.526 0.000 . 1 . . . . A 11 LYS HZ3 . 30519 1 109 . 1 1 11 11 LYS CA C 13 57.028 0.000 . 1 . . . . A 11 LYS CA . 30519 1 110 . 1 1 11 11 LYS CB C 13 32.190 0.005 . 1 . . . . A 11 LYS CB . 30519 1 111 . 1 1 11 11 LYS CG C 13 25.364 0.000 . 1 . . . . A 11 LYS CG . 30519 1 112 . 1 1 11 11 LYS CD C 13 29.099 0.000 . 1 . . . . A 11 LYS CD . 30519 1 113 . 1 1 12 12 ASP H H 1 7.787 0.005 . 1 . . . . A 12 ASP H . 30519 1 114 . 1 1 12 12 ASP HA H 1 4.561 0.001 . 1 . . . . A 12 ASP HA . 30519 1 115 . 1 1 12 12 ASP HB2 H 1 2.693 0.006 . 2 . . . . A 12 ASP HB2 . 30519 1 116 . 1 1 12 12 ASP HB3 H 1 2.940 0.008 . 2 . . . . A 12 ASP HB3 . 30519 1 117 . 1 1 12 12 ASP CA C 13 54.053 0.000 . 1 . . . . A 12 ASP CA . 30519 1 118 . 1 1 12 12 ASP CB C 13 42.393 0.000 . 1 . . . . A 12 ASP CB . 30519 1 119 . 1 1 12 12 ASP N N 15 121.550 0.000 . 1 . . . . A 12 ASP N . 30519 1 120 . 1 1 13 13 ARG H H 1 9.098 0.001 . 1 . . . . A 13 ARG H . 30519 1 121 . 1 1 13 13 ARG HA H 1 3.971 0.001 . 1 . . . . A 13 ARG HA . 30519 1 122 . 1 1 13 13 ARG HB2 H 1 1.918 0.007 . 2 . . . . A 13 ARG HB2 . 30519 1 123 . 1 1 13 13 ARG HB3 H 1 1.977 0.006 . 2 . . . . A 13 ARG HB3 . 30519 1 124 . 1 1 13 13 ARG HG2 H 1 1.726 0.002 . 2 . . . . A 13 ARG HG2 . 30519 1 125 . 1 1 13 13 ARG HG3 H 1 1.727 0.003 . 2 . . . . A 13 ARG HG3 . 30519 1 126 . 1 1 13 13 ARG HD2 H 1 3.254 0.003 . 2 . . . . A 13 ARG HD2 . 30519 1 127 . 1 1 13 13 ARG HD3 H 1 3.254 0.002 . 2 . . . . A 13 ARG HD3 . 30519 1 128 . 1 1 13 13 ARG HE H 1 7.263 0.002 . 1 . . . . A 13 ARG HE . 30519 1 129 . 1 1 13 13 ARG CA C 13 59.722 0.000 . 1 . . . . A 13 ARG CA . 30519 1 130 . 1 1 13 13 ARG CB C 13 30.025 0.007 . 1 . . . . A 13 ARG CB . 30519 1 131 . 1 1 13 13 ARG CG C 13 27.125 0.000 . 1 . . . . A 13 ARG CG . 30519 1 132 . 1 1 13 13 ARG CD C 13 43.251 0.000 . 1 . . . . A 13 ARG CD . 30519 1 133 . 1 1 13 13 ARG N N 15 127.969 0.000 . 1 . . . . A 13 ARG N . 30519 1 134 . 1 1 14 14 ARG H H 1 9.014 0.002 . 1 . . . . A 14 ARG H . 30519 1 135 . 1 1 14 14 ARG HA H 1 4.182 0.001 . 1 . . . . A 14 ARG HA . 30519 1 136 . 1 1 14 14 ARG HB2 H 1 1.844 0.002 . 2 . . . . A 14 ARG HB2 . 30519 1 137 . 1 1 14 14 ARG HB3 H 1 1.843 0.002 . 2 . . . . A 14 ARG HB3 . 30519 1 138 . 1 1 14 14 ARG HG2 H 1 1.653 0.004 . 2 . . . . A 14 ARG HG2 . 30519 1 139 . 1 1 14 14 ARG HG3 H 1 1.714 0.005 . 2 . . . . A 14 ARG HG3 . 30519 1 140 . 1 1 14 14 ARG HD2 H 1 3.217 0.003 . 2 . . . . A 14 ARG HD2 . 30519 1 141 . 1 1 14 14 ARG HD3 H 1 3.218 0.004 . 2 . . . . A 14 ARG HD3 . 30519 1 142 . 1 1 14 14 ARG HE H 1 7.519 0.002 . 1 . . . . A 14 ARG HE . 30519 1 143 . 1 1 14 14 ARG CA C 13 58.073 0.000 . 1 . . . . A 14 ARG CA . 30519 1 144 . 1 1 14 14 ARG CB C 13 29.882 0.000 . 1 . . . . A 14 ARG CB . 30519 1 145 . 1 1 14 14 ARG CG C 13 27.616 0.000 . 1 . . . . A 14 ARG CG . 30519 1 146 . 1 1 14 14 ARG N N 15 117.077 0.000 . 1 . . . . A 14 ARG N . 30519 1 147 . 1 1 15 15 CYS H H 1 7.757 0.006 . 1 . . . . A 15 CYS H . 30519 1 148 . 1 1 15 15 CYS HA H 1 4.855 0.010 . 1 . . . . A 15 CYS HA . 30519 1 149 . 1 1 15 15 CYS HB2 H 1 3.150 0.001 . 2 . . . . A 15 CYS HB2 . 30519 1 150 . 1 1 15 15 CYS HB3 H 1 3.206 0.008 . 2 . . . . A 15 CYS HB3 . 30519 1 151 . 1 1 15 15 CYS CA C 13 53.193 0.000 . 1 . . . . A 15 CYS CA . 30519 1 152 . 1 1 15 15 CYS CB C 13 37.303 0.000 . 1 . . . . A 15 CYS CB . 30519 1 153 . 1 1 15 15 CYS N N 15 116.039 0.000 . 1 . . . . A 15 CYS N . 30519 1 154 . 1 1 16 16 LYS H H 1 7.676 0.002 . 1 . . . . A 16 LYS H . 30519 1 155 . 1 1 16 16 LYS HA H 1 4.042 0.001 . 1 . . . . A 16 LYS HA . 30519 1 156 . 1 1 16 16 LYS CA C 13 60.884 0.000 . 1 . . . . A 16 LYS CA . 30519 1 157 . 1 1 16 16 LYS N N 15 120.891 0.000 . 1 . . . . A 16 LYS N . 30519 1 158 . 1 1 17 17 HYP CA C 13 62.212 0.000 . 1 . . . . A 17 HYP CA . 30519 1 159 . 1 1 17 17 HYP CB C 13 39.525 0.005 . 1 . . . . A 17 HYP CB . 30519 1 160 . 1 1 17 17 HYP CD C 13 58.312 0.003 . 1 . . . . A 17 HYP CD . 30519 1 161 . 1 1 17 17 HYP CG C 13 72.472 0.000 . 1 . . . . A 17 HYP CG . 30519 1 162 . 1 1 17 17 HYP HA H 1 4.642 0.008 . 1 . . . . A 17 HYP HA . 30519 1 163 . 1 1 17 17 HYP HB2 H 1 2.430 0.002 . 2 . . . . A 17 HYP HB2 . 30519 1 164 . 1 1 17 17 HYP HB3 H 1 1.886 0.007 . 2 . . . . A 17 HYP HB3 . 30519 1 165 . 1 1 17 17 HYP HD22 H 1 3.831 0.003 . 2 . . . . A 17 HYP HD22 . 30519 1 166 . 1 1 17 17 HYP HD23 H 1 3.150 0.005 . 2 . . . . A 17 HYP HD23 . 30519 1 167 . 1 1 17 17 HYP HG H 1 4.495 0.002 . 2 . . . . A 17 HYP HG . 30519 1 168 . 1 1 18 18 LEU H H 1 7.718 0.004 . 1 . . . . A 18 LEU H . 30519 1 169 . 1 1 18 18 LEU HA H 1 4.272 0.007 . 1 . . . . A 18 LEU HA . 30519 1 170 . 1 1 18 18 LEU HB2 H 1 1.731 0.003 . 2 . . . . A 18 LEU HB2 . 30519 1 171 . 1 1 18 18 LEU HB3 H 1 1.932 0.006 . 2 . . . . A 18 LEU HB3 . 30519 1 172 . 1 1 18 18 LEU HG H 1 1.810 0.003 . 1 . . . . A 18 LEU HG . 30519 1 173 . 1 1 18 18 LEU HD11 H 1 1.048 0.001 . 2 . . . . A 18 LEU HD11 . 30519 1 174 . 1 1 18 18 LEU HD12 H 1 1.048 0.001 . 2 . . . . A 18 LEU HD12 . 30519 1 175 . 1 1 18 18 LEU HD13 H 1 1.048 0.001 . 2 . . . . A 18 LEU HD13 . 30519 1 176 . 1 1 18 18 LEU HD21 H 1 0.929 0.002 . 2 . . . . A 18 LEU HD21 . 30519 1 177 . 1 1 18 18 LEU HD22 H 1 0.929 0.002 . 2 . . . . A 18 LEU HD22 . 30519 1 178 . 1 1 18 18 LEU HD23 H 1 0.929 0.002 . 2 . . . . A 18 LEU HD23 . 30519 1 179 . 1 1 18 18 LEU CA C 13 54.989 0.000 . 1 . . . . A 18 LEU CA . 30519 1 180 . 1 1 18 18 LEU CB C 13 42.127 0.010 . 1 . . . . A 18 LEU CB . 30519 1 181 . 1 1 18 18 LEU CG C 13 27.857 0.000 . 1 . . . . A 18 LEU CG . 30519 1 182 . 1 1 18 18 LEU CD1 C 13 26.836 0.000 . 2 . . . . A 18 LEU CD1 . 30519 1 183 . 1 1 18 18 LEU CD2 C 13 22.540 0.000 . 2 . . . . A 18 LEU CD2 . 30519 1 184 . 1 1 18 18 LEU N N 15 121.019 0.000 . 1 . . . . A 18 LEU N . 30519 1 185 . 1 1 19 19 LYS H H 1 8.916 0.001 . 1 . . . . A 19 LYS H . 30519 1 186 . 1 1 19 19 LYS HA H 1 4.052 0.001 . 1 . . . . A 19 LYS HA . 30519 1 187 . 1 1 19 19 LYS HB2 H 1 1.892 0.002 . 2 . . . . A 19 LYS HB2 . 30519 1 188 . 1 1 19 19 LYS HB3 H 1 1.892 0.002 . 2 . . . . A 19 LYS HB3 . 30519 1 189 . 1 1 19 19 LYS HG2 H 1 1.523 0.000 . 2 . . . . A 19 LYS HG2 . 30519 1 190 . 1 1 19 19 LYS HG3 H 1 1.568 0.005 . 2 . . . . A 19 LYS HG3 . 30519 1 191 . 1 1 19 19 LYS HD2 H 1 1.726 0.001 . 2 . . . . A 19 LYS HD2 . 30519 1 192 . 1 1 19 19 LYS HD3 H 1 1.726 0.001 . 2 . . . . A 19 LYS HD3 . 30519 1 193 . 1 1 19 19 LYS CA C 13 59.569 0.000 . 1 . . . . A 19 LYS CA . 30519 1 194 . 1 1 19 19 LYS CB C 13 31.686 0.000 . 1 . . . . A 19 LYS CB . 30519 1 195 . 1 1 19 19 LYS CG C 13 25.016 0.000 . 1 . . . . A 19 LYS CG . 30519 1 196 . 1 1 19 19 LYS N N 15 124.245 0.000 . 1 . . . . A 19 LYS N . 30519 1 197 . 1 1 20 20 CYS H H 1 8.401 0.000 . 1 . . . . A 20 CYS H . 30519 1 198 . 1 1 20 20 CYS HA H 1 4.601 0.003 . 1 . . . . A 20 CYS HA . 30519 1 199 . 1 1 20 20 CYS HB2 H 1 3.016 0.003 . 2 . . . . A 20 CYS HB2 . 30519 1 200 . 1 1 20 20 CYS HB3 H 1 3.928 0.002 . 2 . . . . A 20 CYS HB3 . 30519 1 201 . 1 1 20 20 CYS CA C 13 57.126 0.000 . 1 . . . . A 20 CYS CA . 30519 1 202 . 1 1 20 20 CYS CB C 13 43.128 0.000 . 1 . . . . A 20 CYS CB . 30519 1 203 . 1 1 21 21 CYS H H 1 7.877 0.001 . 1 . . . . A 21 CYS H . 30519 1 204 . 1 1 21 21 CYS HA H 1 5.009 0.005 . 1 . . . . A 21 CYS HA . 30519 1 205 . 1 1 21 21 CYS HB2 H 1 2.934 0.004 . 2 . . . . A 21 CYS HB2 . 30519 1 206 . 1 1 21 21 CYS HB3 H 1 3.234 0.007 . 2 . . . . A 21 CYS HB3 . 30519 1 207 . 1 1 21 21 CYS CA C 13 54.354 0.000 . 1 . . . . A 21 CYS CA . 30519 1 208 . 1 1 21 21 CYS CB C 13 38.875 0.011 . 1 . . . . A 21 CYS CB . 30519 1 209 . 1 1 21 21 CYS N N 15 119.261 0.000 . 1 . . . . A 21 CYS N . 30519 1 210 . 1 1 22 22 ALA H H 1 7.884 0.001 . 1 . . . . A 22 ALA H . 30519 1 211 . 1 1 22 22 ALA HA H 1 4.298 0.003 . 1 . . . . A 22 ALA HA . 30519 1 212 . 1 1 22 22 ALA HB1 H 1 1.461 0.002 . 1 . . . . A 22 ALA HB1 . 30519 1 213 . 1 1 22 22 ALA HB2 H 1 1.461 0.002 . 1 . . . . A 22 ALA HB2 . 30519 1 214 . 1 1 22 22 ALA HB3 H 1 1.461 0.002 . 1 . . . . A 22 ALA HB3 . 30519 1 215 . 1 1 22 22 ALA CA C 13 53.156 0.000 . 1 . . . . A 22 ALA CA . 30519 1 216 . 1 1 22 22 ALA CB C 13 19.349 0.000 . 1 . . . . A 22 ALA CB . 30519 1 217 . 1 1 22 22 ALA N N 15 125.990 0.000 . 1 . . . . A 22 ALA N . 30519 1 stop_ save_