################################### # 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_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 50630 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name hingeTbPKAr2 _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 '1D 1H' . . . 50630 1 2 '2D 1H-13C HSQC' . . . 50630 1 3 '2D 1H-1H TOCSY' . . . 50630 1 4 '2D 1H-1H COSY' . . . 50630 1 5 '2D 1H-1H NOESY' . . . 50630 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50630 1 2 $software_2 . . 50630 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 GLY HA2 H 1 4.049 0.02 . 1 . . . . . 198 GLY HA2 . 50630 1 2 . 1 . 1 1 1 GLY HA3 H 1 4.049 0.02 . 1 . . . . . 198 GLY HA3 . 50630 1 3 . 1 . 1 1 1 GLY CA C 13 44.800 0.02 . 1 . . . . . 198 GLY CA . 50630 1 4 . 1 . 1 2 2 GLY H H 1 8.664 0.02 . 1 . . . . . 199 GLY H . 50630 1 5 . 1 . 1 2 2 GLY HA2 H 1 4.014 0.02 . 1 . . . . . 199 GLY HA2 . 50630 1 6 . 1 . 1 2 2 GLY HA3 H 1 4.014 0.02 . 1 . . . . . 199 GLY HA3 . 50630 1 7 . 1 . 1 2 2 GLY CA C 13 44.800 0.02 . 1 . . . . . 199 GLY CA . 50630 1 8 . 1 . 1 3 3 ARG H H 1 8.522 0.02 . 1 . . . . . 200 ARG H . 50630 1 9 . 1 . 1 3 3 ARG HA H 1 4.248 0.02 . 1 . . . . . 200 ARG HA . 50630 1 10 . 1 . 1 3 3 ARG HB2 H 1 1.793 0.02 . 2 . . . . . 200 ARG HB2 . 50630 1 11 . 1 . 1 3 3 ARG HB3 H 1 1.738 0.02 . 2 . . . . . 200 ARG HB3 . 50630 1 12 . 1 . 1 3 3 ARG HG2 H 1 1.625 0.02 . 2 . . . . . 200 ARG HG2 . 50630 1 13 . 1 . 1 3 3 ARG HG3 H 1 1.625 0.02 . 2 . . . . . 200 ARG HG3 . 50630 1 14 . 1 . 1 3 3 ARG HD2 H 1 3.191 0.02 . 2 . . . . . 200 ARG HD2 . 50630 1 15 . 1 . 1 3 3 ARG HD3 H 1 3.191 0.02 . 2 . . . . . 200 ARG HD3 . 50630 1 16 . 1 . 1 3 3 ARG HE H 1 7.271 0.02 . 1 . . . . . 200 ARG HE . 50630 1 17 . 1 . 1 3 3 ARG CA C 13 56.440 0.02 . 1 . . . . . 200 ARG CA . 50630 1 18 . 1 . 1 3 3 ARG CB C 13 30.630 0.02 . 1 . . . . . 200 ARG CB . 50630 1 19 . 1 . 1 4 4 LYS H H 1 8.623 0.02 . 1 . . . . . 201 LYS H . 50630 1 20 . 1 . 1 4 4 LYS HA H 1 4.233 0.02 . 1 . . . . . 201 LYS HA . 50630 1 21 . 1 . 1 4 4 LYS HB2 H 1 1.856 0.02 . 2 . . . . . 201 LYS HB2 . 50630 1 22 . 1 . 1 4 4 LYS HB3 H 1 1.768 0.02 . 2 . . . . . 201 LYS HB3 . 50630 1 23 . 1 . 1 4 4 LYS HG2 H 1 1.437 0.02 . 2 . . . . . 201 LYS HG2 . 50630 1 24 . 1 . 1 4 4 LYS HG3 H 1 1.437 0.02 . 2 . . . . . 201 LYS HG3 . 50630 1 25 . 1 . 1 4 4 LYS HD2 H 1 1.675 0.02 . 1 . . . . . 201 LYS HD2 . 50630 1 26 . 1 . 1 4 4 LYS HD3 H 1 1.675 0.02 . 1 . . . . . 201 LYS HD3 . 50630 1 27 . 1 . 1 4 4 LYS HE2 H 1 2.973 0.02 . 1 . . . . . 201 LYS HE2 . 50630 1 28 . 1 . 1 4 4 LYS HE3 H 1 2.973 0.02 . 1 . . . . . 201 LYS HE3 . 50630 1 29 . 1 . 1 4 4 LYS HZ1 H 1 7.618 0.02 . 1 . . . . . 201 LYS HZ1 . 50630 1 30 . 1 . 1 4 4 LYS HZ2 H 1 7.618 0.02 . 1 . . . . . 201 LYS HZ2 . 50630 1 31 . 1 . 1 4 4 LYS HZ3 H 1 7.618 0.02 . 1 . . . . . 201 LYS HZ3 . 50630 1 32 . 1 . 1 4 4 LYS CA C 13 56.510 0.02 . 1 . . . . . 201 LYS CA . 50630 1 33 . 1 . 1 4 4 LYS CB C 13 32.900 0.02 . 1 . . . . . 201 LYS CB . 50630 1 34 . 1 . 1 5 5 ARG H H 1 8.538 0.02 . 1 . . . . . 202 ARG H . 50630 1 35 . 1 . 1 5 5 ARG HA H 1 4.307 0.02 . 1 . . . . . 202 ARG HA . 50630 1 36 . 1 . 1 5 5 ARG HB2 H 1 1.791 0.02 . 2 . . . . . 202 ARG HB2 . 50630 1 37 . 1 . 1 5 5 ARG HB3 H 1 1.736 0.02 . 2 . . . . . 202 ARG HB3 . 50630 1 38 . 1 . 1 5 5 ARG HG2 H 1 1.625 0.02 . 2 . . . . . 202 ARG HG2 . 50630 1 39 . 1 . 1 5 5 ARG HG3 H 1 1.625 0.02 . 2 . . . . . 202 ARG HG3 . 50630 1 40 . 1 . 1 5 5 ARG HD2 H 1 3.190 0.02 . 2 . . . . . 202 ARG HD2 . 50630 1 41 . 1 . 1 5 5 ARG HD3 H 1 3.190 0.02 . 2 . . . . . 202 ARG HD3 . 50630 1 42 . 1 . 1 5 5 ARG HE H 1 7.245 0.02 . 1 . . . . . 202 ARG HE . 50630 1 43 . 1 . 1 5 5 ARG CA C 13 56.090 0.02 . 1 . . . . . 202 ARG CA . 50630 1 44 . 1 . 1 5 5 ARG CB C 13 30.640 0.02 . 1 . . . . . 202 ARG CB . 50630 1 45 . 1 . 1 6 6 ARG H H 1 8.697 0.02 . 1 . . . . . 203 ARG H . 50630 1 46 . 1 . 1 6 6 ARG HA H 1 4.392 0.02 . 1 . . . . . 203 ARG HA . 50630 1 47 . 1 . 1 6 6 ARG HB2 H 1 1.849 0.02 . 2 . . . . . 203 ARG HB2 . 50630 1 48 . 1 . 1 6 6 ARG HB3 H 1 1.775 0.02 . 2 . . . . . 203 ARG HB3 . 50630 1 49 . 1 . 1 6 6 ARG HG2 H 1 1.669 0.02 . 2 . . . . . 203 ARG HG2 . 50630 1 50 . 1 . 1 6 6 ARG HG3 H 1 1.621 0.02 . 2 . . . . . 203 ARG HG3 . 50630 1 51 . 1 . 1 6 6 ARG HD2 H 1 3.191 0.02 . 2 . . . . . 203 ARG HD2 . 50630 1 52 . 1 . 1 6 6 ARG HD3 H 1 3.191 0.02 . 2 . . . . . 203 ARG HD3 . 50630 1 53 . 1 . 1 6 6 ARG HE H 1 7.261 0.02 . 1 . . . . . 203 ARG HE . 50630 1 54 . 1 . 1 6 6 ARG CA C 13 56.190 0.02 . 1 . . . . . 203 ARG CA . 50630 1 55 . 1 . 1 6 6 ARG CB C 13 30.640 0.02 . 1 . . . . . 203 ARG CB . 50630 1 56 . 1 . 1 7 7 THR H H 1 8.475 0.02 . 1 . . . . . 204 THR H . 50630 1 57 . 1 . 1 7 7 THR HA H 1 4.433 0.02 . 1 . . . . . 204 THR HA . 50630 1 58 . 1 . 1 7 7 THR HB H 1 4.206 0.02 . 1 . . . . . 204 THR HB . 50630 1 59 . 1 . 1 7 7 THR HG21 H 1 1.193 0.02 . 1 . . . . . 204 THR HG21 . 50630 1 60 . 1 . 1 7 7 THR HG22 H 1 1.193 0.02 . 1 . . . . . 204 THR HG22 . 50630 1 61 . 1 . 1 7 7 THR HG23 H 1 1.193 0.02 . 1 . . . . . 204 THR HG23 . 50630 1 62 . 1 . 1 7 7 THR CA C 13 61.710 0.02 . 1 . . . . . 204 THR CA . 50630 1 63 . 1 . 1 7 7 THR CB C 13 70.020 0.02 . 1 . . . . . 204 THR CB . 50630 1 64 . 1 . 1 8 8 THR H H 1 8.387 0.02 . 1 . . . . . 205 THR H . 50630 1 65 . 1 . 1 8 8 THR HA H 1 4.393 0.02 . 1 . . . . . 205 THR HA . 50630 1 66 . 1 . 1 8 8 THR HB H 1 4.208 0.02 . 1 . . . . . 205 THR HB . 50630 1 67 . 1 . 1 8 8 THR HG21 H 1 1.180 0.02 . 1 . . . . . 205 THR HG21 . 50630 1 68 . 1 . 1 8 8 THR HG22 H 1 1.180 0.02 . 1 . . . . . 205 THR HG22 . 50630 1 69 . 1 . 1 8 8 THR HG23 H 1 1.180 0.02 . 1 . . . . . 205 THR HG23 . 50630 1 70 . 1 . 1 8 8 THR CA C 13 61.690 0.02 . 1 . . . . . 205 THR CA . 50630 1 71 . 1 . 1 8 8 THR CB C 13 70.020 0.02 . 1 . . . . . 205 THR CB . 50630 1 72 . 1 . 1 9 9 VAL H H 1 8.415 0.02 . 1 . . . . . 206 VAL H . 50630 1 73 . 1 . 1 9 9 VAL HA H 1 4.105 0.02 . 1 . . . . . 206 VAL HA . 50630 1 74 . 1 . 1 9 9 VAL HB H 1 2.053 0.02 . 1 . . . . . 206 VAL HB . 50630 1 75 . 1 . 1 9 9 VAL HG11 H 1 0.926 0.02 . 1 . . . . . 206 VAL HG11 . 50630 1 76 . 1 . 1 9 9 VAL HG12 H 1 0.926 0.02 . 1 . . . . . 206 VAL HG12 . 50630 1 77 . 1 . 1 9 9 VAL HG13 H 1 0.926 0.02 . 1 . . . . . 206 VAL HG13 . 50630 1 78 . 1 . 1 9 9 VAL CA C 13 62.390 0.02 . 1 . . . . . 206 VAL CA . 50630 1 79 . 1 . 1 9 9 VAL CB C 13 32.940 0.02 . 1 . . . . . 206 VAL CB . 50630 1 80 . 1 . 1 10 10 ARG H H 1 8.627 0.02 . 1 . . . . . 207 ARG H . 50630 1 81 . 1 . 1 10 10 ARG HA H 1 4.290 0.02 . 1 . . . . . 207 ARG HA . 50630 1 82 . 1 . 1 10 10 ARG HB2 H 1 1.837 0.02 . 2 . . . . . 207 ARG HB2 . 50630 1 83 . 1 . 1 10 10 ARG HB3 H 1 1.766 0.02 . 2 . . . . . 207 ARG HB3 . 50630 1 84 . 1 . 1 10 10 ARG HG2 H 1 1.641 0.02 . 2 . . . . . 207 ARG HG2 . 50630 1 85 . 1 . 1 10 10 ARG HG3 H 1 1.641 0.02 . 2 . . . . . 207 ARG HG3 . 50630 1 86 . 1 . 1 10 10 ARG HD2 H 1 3.191 0.02 . 2 . . . . . 207 ARG HD2 . 50630 1 87 . 1 . 1 10 10 ARG HD3 H 1 3.191 0.02 . 2 . . . . . 207 ARG HD3 . 50630 1 88 . 1 . 1 10 10 ARG HE H 1 7.295 0.02 . 1 . . . . . 207 ARG HE . 50630 1 89 . 1 . 1 10 10 ARG CA C 13 56.440 0.02 . 1 . . . . . 207 ARG CA . 50630 1 90 . 1 . 1 10 10 ARG CB C 13 30.620 0.02 . 1 . . . . . 207 ARG CB . 50630 1 91 . 1 . 1 11 11 GLY H H 1 8.633 0.02 . 1 . . . . . 208 GLY H . 50630 1 92 . 1 . 1 11 11 GLY HA2 H 1 3.989 0.02 . 1 . . . . . 208 GLY HA2 . 50630 1 93 . 1 . 1 11 11 GLY HA3 H 1 3.881 0.02 . 1 . . . . . 208 GLY HA3 . 50630 1 94 . 1 . 1 11 11 GLY CA C 13 45.190 0.02 . 1 . . . . . 208 GLY CA . 50630 1 95 . 1 . 1 12 12 GLU H H 1 8.373 0.02 . 1 . . . . . 209 GLU H . 50630 1 96 . 1 . 1 12 12 GLU HA H 1 4.317 0.02 . 1 . . . . . 209 GLU HA . 50630 1 97 . 1 . 1 12 12 GLU HB2 H 1 2.088 0.02 . 2 . . . . . 209 GLU HB2 . 50630 1 98 . 1 . 1 12 12 GLU HB3 H 1 1.957 0.02 . 2 . . . . . 209 GLU HB3 . 50630 1 99 . 1 . 1 12 12 GLU HG2 H 1 2.273 0.02 . 2 . . . . . 209 GLU HG2 . 50630 1 100 . 1 . 1 12 12 GLU HG3 H 1 2.273 0.02 . 2 . . . . . 209 GLU HG3 . 50630 1 101 . 1 . 1 12 12 GLU CA C 13 56.520 0.02 . 1 . . . . . 209 GLU CA . 50630 1 102 . 1 . 1 12 12 GLU CB C 13 30.320 0.02 . 1 . . . . . 209 GLU CB . 50630 1 103 . 1 . 1 13 13 GLY H H 1 8.631 0.02 . 1 . . . . . 210 GLY H . 50630 1 104 . 1 . 1 13 13 GLY HA2 H 1 3.934 0.02 . 1 . . . . . 210 GLY HA2 . 50630 1 105 . 1 . 1 13 13 GLY HA3 H 1 3.812 0.02 . 1 . . . . . 210 GLY HA3 . 50630 1 106 . 1 . 1 13 13 GLY CA C 13 45.200 0.02 . 1 . . . . . 210 GLY CA . 50630 1 107 . 1 . 1 14 14 ILE H H 1 8.098 0.02 . 1 . . . . . 211 ILE H . 50630 1 108 . 1 . 1 14 14 ILE HA H 1 4.141 0.02 . 1 . . . . . 211 ILE HA . 50630 1 109 . 1 . 1 14 14 ILE HB H 1 1.800 0.02 . 1 . . . . . 211 ILE HB . 50630 1 110 . 1 . 1 14 14 ILE HG12 H 1 1.401 0.02 . 1 . . . . . 211 ILE HG12 . 50630 1 111 . 1 . 1 14 14 ILE HG13 H 1 1.118 0.02 . 1 . . . . . 211 ILE HG13 . 50630 1 112 . 1 . 1 14 14 ILE HG21 H 1 0.850 0.02 . 1 . . . . . 211 ILE HG21 . 50630 1 113 . 1 . 1 14 14 ILE HG22 H 1 0.850 0.02 . 1 . . . . . 211 ILE HG22 . 50630 1 114 . 1 . 1 14 14 ILE HG23 H 1 0.850 0.02 . 1 . . . . . 211 ILE HG23 . 50630 1 115 . 1 . 1 14 14 ILE HD11 H 1 0.821 0.02 . 1 . . . . . 211 ILE HD11 . 50630 1 116 . 1 . 1 14 14 ILE HD12 H 1 0.821 0.02 . 1 . . . . . 211 ILE HD12 . 50630 1 117 . 1 . 1 14 14 ILE HD13 H 1 0.821 0.02 . 1 . . . . . 211 ILE HD13 . 50630 1 118 . 1 . 1 14 14 ILE CA C 13 62.140 0.02 . 1 . . . . . 211 ILE CA . 50630 1 119 . 1 . 1 14 14 ILE CB C 13 38.970 0.02 . 1 . . . . . 211 ILE CB . 50630 1 120 . 1 . 1 15 15 ASP H H 1 8.660 0.02 . 1 . . . . . 212 ASP H . 50630 1 121 . 1 . 1 15 15 ASP HA H 1 4.861 0.02 . 1 . . . . . 212 ASP HA . 50630 1 122 . 1 . 1 15 15 ASP HB2 H 1 2.771 0.02 . 2 . . . . . 212 ASP HB2 . 50630 1 123 . 1 . 1 15 15 ASP HB3 H 1 2.562 0.02 . 2 . . . . . 212 ASP HB3 . 50630 1 124 . 1 . 1 15 15 ASP CA C 13 52.100 0.02 . 1 . . . . . 212 ASP CA . 50630 1 125 . 1 . 1 15 15 ASP CB C 13 41.070 0.02 . 1 . . . . . 212 ASP CB . 50630 1 126 . 1 . 1 16 16 PRO HA H 1 4.359 0.02 . 1 . . . . . 213 PRO HA . 50630 1 127 . 1 . 1 16 16 PRO HB2 H 1 2.303 0.02 . 2 . . . . . 213 PRO HB2 . 50630 1 128 . 1 . 1 16 16 PRO HB3 H 1 1.825 0.02 . 2 . . . . . 213 PRO HB3 . 50630 1 129 . 1 . 1 16 16 PRO HG2 H 1 2.032 0.02 . 2 . . . . . 213 PRO HG2 . 50630 1 130 . 1 . 1 16 16 PRO HG3 H 1 1.963 0.02 . 2 . . . . . 213 PRO HG3 . 50630 1 131 . 1 . 1 16 16 PRO HD2 H 1 3.922 0.02 . 2 . . . . . 213 PRO HD2 . 50630 1 132 . 1 . 1 16 16 PRO HD3 H 1 3.851 0.02 . 2 . . . . . 213 PRO HD3 . 50630 1 133 . 1 . 1 16 16 PRO CA C 13 63.790 0.02 . 1 . . . . . 213 PRO CA . 50630 1 134 . 1 . 1 16 16 PRO CB C 13 32.260 0.02 . 1 . . . . . 213 PRO CB . 50630 1 135 . 1 . 1 17 17 GLU H H 1 8.527 0.02 . 1 . . . . . 214 GLU H . 50630 1 136 . 1 . 1 17 17 GLU HA H 1 4.129 0.02 . 1 . . . . . 214 GLU HA . 50630 1 137 . 1 . 1 17 17 GLU HB2 H 1 2.035 0.02 . 2 . . . . . 214 GLU HB2 . 50630 1 138 . 1 . 1 17 17 GLU HB3 H 1 1.960 0.02 . 2 . . . . . 214 GLU HB3 . 50630 1 139 . 1 . 1 17 17 GLU HG2 H 1 2.313 0.02 . 2 . . . . . 214 GLU HG2 . 50630 1 140 . 1 . 1 17 17 GLU HG3 H 1 2.241 0.02 . 2 . . . . . 214 GLU HG3 . 50630 1 141 . 1 . 1 17 17 GLU CA C 13 56.960 0.02 . 1 . . . . . 214 GLU CA . 50630 1 142 . 1 . 1 17 17 GLU CB C 13 29.660 0.02 . 1 . . . . . 214 GLU CB . 50630 1 143 . 1 . 1 18 18 LYS H H 1 8.074 0.02 . 1 . . . . . 215 LYS H . 50630 1 144 . 1 . 1 18 18 LYS HA H 1 4.223 0.02 . 1 . . . . . 215 LYS HA . 50630 1 145 . 1 . 1 18 18 LYS HB2 H 1 1.841 0.02 . 2 . . . . . 215 LYS HB2 . 50630 1 146 . 1 . 1 18 18 LYS HB3 H 1 1.765 0.02 . 2 . . . . . 215 LYS HB3 . 50630 1 147 . 1 . 1 18 18 LYS HG2 H 1 1.432 0.02 . 2 . . . . . 215 LYS HG2 . 50630 1 148 . 1 . 1 18 18 LYS HG3 H 1 1.432 0.02 . 2 . . . . . 215 LYS HG3 . 50630 1 149 . 1 . 1 18 18 LYS HD2 H 1 1.657 0.02 . 1 . . . . . 215 LYS HD2 . 50630 1 150 . 1 . 1 18 18 LYS HD3 H 1 1.657 0.02 . 1 . . . . . 215 LYS HD3 . 50630 1 151 . 1 . 1 18 18 LYS HE2 H 1 2.988 0.02 . 1 . . . . . 215 LYS HE2 . 50630 1 152 . 1 . 1 18 18 LYS HE3 H 1 2.988 0.02 . 1 . . . . . 215 LYS HE3 . 50630 1 153 . 1 . 1 18 18 LYS HZ1 H 1 7.616 0.02 . 1 . . . . . 215 LYS HZ1 . 50630 1 154 . 1 . 1 18 18 LYS HZ2 H 1 7.616 0.02 . 1 . . . . . 215 LYS HZ2 . 50630 1 155 . 1 . 1 18 18 LYS HZ3 H 1 7.616 0.02 . 1 . . . . . 215 LYS HZ3 . 50630 1 156 . 1 . 1 18 18 LYS CA C 13 56.590 0.02 . 1 . . . . . 215 LYS CA . 50630 1 157 . 1 . 1 18 18 LYS CB C 13 33.040 0.02 . 1 . . . . . 215 LYS CB . 50630 1 158 . 1 . 1 19 19 ALA H H 1 8.228 0.02 . 1 . . . . . 216 ALA H . 50630 1 159 . 1 . 1 19 19 ALA HA H 1 4.231 0.02 . 1 . . . . . 216 ALA HA . 50630 1 160 . 1 . 1 19 19 ALA HB1 H 1 1.391 0.02 . 1 . . . . . 216 ALA HB# . 50630 1 161 . 1 . 1 19 19 ALA HB2 H 1 1.391 0.02 . 1 . . . . . 216 ALA HB# . 50630 1 162 . 1 . 1 19 19 ALA HB3 H 1 1.391 0.02 . 1 . . . . . 216 ALA HB# . 50630 1 163 . 1 . 1 19 19 ALA CA C 13 52.800 0.02 . 1 . . . . . 216 ALA CA . 50630 1 164 . 1 . 1 19 19 ALA CB C 13 19.080 0.02 . 1 . . . . . 216 ALA CB . 50630 1 165 . 1 . 1 20 20 LYS H H 1 8.340 0.02 . 1 . . . . . 217 LYS H . 50630 1 166 . 1 . 1 20 20 LYS HA H 1 4.254 0.02 . 1 . . . . . 217 LYS HA . 50630 1 167 . 1 . 1 20 20 LYS HB2 H 1 1.816 0.02 . 2 . . . . . 217 LYS HB2 . 50630 1 168 . 1 . 1 20 20 LYS HB3 H 1 1.758 0.02 . 2 . . . . . 217 LYS HB3 . 50630 1 169 . 1 . 1 20 20 LYS HG2 H 1 1.460 0.02 . 2 . . . . . 217 LYS HG2 . 50630 1 170 . 1 . 1 20 20 LYS HG3 H 1 1.460 0.02 . 2 . . . . . 217 LYS HG3 . 50630 1 171 . 1 . 1 20 20 LYS HD2 H 1 1.674 0.02 . 1 . . . . . 217 LYS HD2 . 50630 1 172 . 1 . 1 20 20 LYS HD3 H 1 1.674 0.02 . 1 . . . . . 217 LYS HD3 . 50630 1 173 . 1 . 1 20 20 LYS HE2 H 1 2.979 0.02 . 1 . . . . . 217 LYS HE2 . 50630 1 174 . 1 . 1 20 20 LYS HE3 H 1 2.979 0.02 . 1 . . . . . 217 LYS HE3 . 50630 1 175 . 1 . 1 20 20 LYS HZ1 H 1 7.619 0.02 . 1 . . . . . 217 LYS HZ1 . 50630 1 176 . 1 . 1 20 20 LYS HZ2 H 1 7.619 0.02 . 1 . . . . . 217 LYS HZ2 . 50630 1 177 . 1 . 1 20 20 LYS HZ3 H 1 7.619 0.02 . 1 . . . . . 217 LYS HZ3 . 50630 1 178 . 1 . 1 20 20 LYS CA C 13 56.660 0.02 . 1 . . . . . 217 LYS CA . 50630 1 179 . 1 . 1 20 20 LYS CB C 13 33.170 0.02 . 1 . . . . . 217 LYS CB . 50630 1 180 . 1 . 1 21 21 SER H H 1 8.243 0.02 . 1 . . . . . 218 SER H . 50630 1 181 . 1 . 1 21 21 SER HA H 1 4.409 0.02 . 1 . . . . . 218 SER HA . 50630 1 182 . 1 . 1 21 21 SER HB2 H 1 3.830 0.02 . 2 . . . . . 218 SER HB2 . 50630 1 183 . 1 . 1 21 21 SER HB3 H 1 3.830 0.02 . 2 . . . . . 218 SER HB3 . 50630 1 184 . 1 . 1 21 21 SER CA C 13 58.220 0.02 . 1 . . . . . 218 SER CA . 50630 1 185 . 1 . 1 21 21 SER CB C 13 63.800 0.02 . 1 . . . . . 218 SER CB . 50630 1 186 . 1 . 1 22 22 TYR H H 1 8.288 0.02 . 1 . . . . . 219 TYR H . 50630 1 187 . 1 . 1 22 22 TYR HA H 1 4.477 0.02 . 1 . . . . . 219 TYR HA . 50630 1 188 . 1 . 1 22 22 TYR HB2 H 1 3.035 0.02 . 2 . . . . . 219 TYR HB2 . 50630 1 189 . 1 . 1 22 22 TYR HB3 H 1 2.886 0.02 . 2 . . . . . 219 TYR HB3 . 50630 1 190 . 1 . 1 22 22 TYR HD1 H 1 7.071 0.02 . 3 . . . . . 219 TYR HD1 . 50630 1 191 . 1 . 1 22 22 TYR HD2 H 1 7.071 0.02 . 3 . . . . . 219 TYR HD2 . 50630 1 192 . 1 . 1 22 22 TYR HE1 H 1 6.776 0.02 . 3 . . . . . 219 TYR HE1 . 50630 1 193 . 1 . 1 22 22 TYR HE2 H 1 6.776 0.02 . 3 . . . . . 219 TYR HE2 . 50630 1 194 . 1 . 1 22 22 TYR CA C 13 58.520 0.02 . 1 . . . . . 219 TYR CA . 50630 1 195 . 1 . 1 22 22 TYR CB C 13 39.030 0.02 . 1 . . . . . 219 TYR CB . 50630 1 196 . 1 . 1 23 23 VAL H H 1 7.894 0.02 . 1 . . . . . 220 VAL H . 50630 1 197 . 1 . 1 23 23 VAL HA H 1 3.904 0.02 . 1 . . . . . 220 VAL HA . 50630 1 198 . 1 . 1 23 23 VAL HB H 1 1.826 0.02 . 1 . . . . . 220 VAL HB . 50630 1 199 . 1 . 1 23 23 VAL HG11 H 1 0.837 0.02 . 2 . . . . . 220 VAL HG11 . 50630 1 200 . 1 . 1 23 23 VAL HG12 H 1 0.837 0.02 . 2 . . . . . 220 VAL HG12 . 50630 1 201 . 1 . 1 23 23 VAL HG13 H 1 0.837 0.02 . 2 . . . . . 220 VAL HG13 . 50630 1 202 . 1 . 1 23 23 VAL CA C 13 61.350 0.02 . 1 . . . . . 220 VAL CA . 50630 1 203 . 1 . 1 23 23 VAL CB C 13 33.370 0.02 . 1 . . . . . 220 VAL CB . 50630 1 204 . 1 . 1 24 24 ALA H H 1 8.432 0.02 . 1 . . . . . 221 ALA H . 50630 1 205 . 1 . 1 24 24 ALA HA H 1 4.351 0.02 . 1 . . . . . 221 ALA HA . 50630 1 206 . 1 . 1 24 24 ALA HB1 H 1 1.335 0.02 . 1 . . . . . 221 ALA MB . 50630 1 207 . 1 . 1 24 24 ALA HB2 H 1 1.335 0.02 . 1 . . . . . 221 ALA MB . 50630 1 208 . 1 . 1 24 24 ALA HB3 H 1 1.335 0.02 . 1 . . . . . 221 ALA MB . 50630 1 209 . 1 . 1 24 24 ALA CA C 13 56.420 0.02 . 1 . . . . . 221 ALA CA . 50630 1 210 . 1 . 1 24 24 ALA CB C 13 19.090 0.02 . 1 . . . . . 221 ALA CB . 50630 1 211 . 1 . 1 25 25 PRO HA H 1 4.332 0.02 . 1 . . . . . 222 PRO HA . 50630 1 212 . 1 . 1 25 25 PRO HB2 H 1 2.212 0.02 . 2 . . . . . 222 PRO HB2 . 50630 1 213 . 1 . 1 25 25 PRO HB3 H 1 1.795 0.02 . 2 . . . . . 222 PRO HB3 . 50630 1 214 . 1 . 1 25 25 PRO HG2 H 1 2.015 0.02 . 2 . . . . . 222 PRO HG2 . 50630 1 215 . 1 . 1 25 25 PRO HG3 H 1 1.984 0.02 . 2 . . . . . 222 PRO HG3 . 50630 1 216 . 1 . 1 25 25 PRO HD2 H 1 3.649 0.02 . 2 . . . . . 222 PRO HD2 . 50630 1 217 . 1 . 1 25 25 PRO HD3 H 1 3.823 0.02 . 2 . . . . . 222 PRO HD3 . 50630 1 218 . 1 . 1 25 25 PRO CA C 13 63.020 0.02 . 1 . . . . . 222 PRO CA . 50630 1 219 . 1 . 1 25 25 PRO CB C 13 31.950 0.02 . 1 . . . . . 222 PRO CB . 50630 1 220 . 1 . 1 26 26 TYR H H 1 8.225 0.02 . 1 . . . . . 223 TYR H . 50630 1 221 . 1 . 1 26 26 TYR HA H 1 4.452 0.02 . 1 . . . . . 223 TYR HA . 50630 1 222 . 1 . 1 26 26 TYR HB2 H 1 3.005 0.02 . 2 . . . . . 223 TYR HB2 . 50630 1 223 . 1 . 1 26 26 TYR HB3 H 1 3.005 0.02 . 2 . . . . . 223 TYR HB3 . 50630 1 224 . 1 . 1 26 26 TYR HD1 H 1 7.146 0.02 . 3 . . . . . 223 TYR HD1 . 50630 1 225 . 1 . 1 26 26 TYR HD2 H 1 7.146 0.02 . 3 . . . . . 223 TYR HD2 . 50630 1 226 . 1 . 1 26 26 TYR HE1 H 1 6.834 0.02 . 3 . . . . . 223 TYR HE1 . 50630 1 227 . 1 . 1 26 26 TYR HE2 H 1 6.834 0.02 . 3 . . . . . 223 TYR HE2 . 50630 1 228 . 1 . 1 26 26 TYR CA C 13 57.650 0.02 . 1 . . . . . 223 TYR CA . 50630 1 229 . 1 . 1 26 26 TYR CB C 13 38.640 0.02 . 1 . . . . . 223 TYR CB . 50630 1 stop_ save_