################################### # 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 30938 _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' . . . 30938 1 2 '2D 1H-1H NOESY' . . . 30938 1 3 '2D 1H-15N HSQC' . . . 30938 1 4 '2D 1H-13C HSQC aliphatic' . . . 30938 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 H H 1 8.612 . . . . . . . A 1 GLY H1 . 30938 1 2 . 1 . 1 1 1 GLY HA2 H 1 4.030 . . . . . . . A 1 GLY HA2 . 30938 1 3 . 1 . 1 1 1 GLY HA3 H 1 3.446 . . . . . . . A 1 GLY HA3 . 30938 1 4 . 1 . 1 1 1 GLY CA C 13 45.103 . . . . . . . A 1 GLY CA . 30938 1 5 . 1 . 1 1 1 GLY N N 15 102.336 . . . . . . . A 1 GLY N . 30938 1 6 . 1 . 1 2 2 PHE H H 1 8.219 . . . . . . . A 2 PHE H . 30938 1 7 . 1 . 1 2 2 PHE HA H 1 5.177 . . . . . . . A 2 PHE HA . 30938 1 8 . 1 . 1 2 2 PHE HB2 H 1 3.239 . . . . . . . A 2 PHE HB2 . 30938 1 9 . 1 . 1 2 2 PHE HB3 H 1 3.042 . . . . . . . A 2 PHE HB3 . 30938 1 10 . 1 . 1 2 2 PHE HD1 H 1 7.393 . . . . . . . A 2 PHE HD1 . 30938 1 11 . 1 . 1 2 2 PHE HD2 H 1 7.393 . . . . . . . A 2 PHE HD2 . 30938 1 12 . 1 . 1 2 2 PHE HE1 H 1 7.429 . . . . . . . A 2 PHE HE1 . 30938 1 13 . 1 . 1 2 2 PHE HE2 H 1 7.429 . . . . . . . A 2 PHE HE2 . 30938 1 14 . 1 . 1 2 2 PHE CA C 13 55.388 . . . . . . . A 2 PHE CA . 30938 1 15 . 1 . 1 2 2 PHE CB C 13 40.545 . . . . . . . A 2 PHE CB . 30938 1 16 . 1 . 1 2 2 PHE N N 15 121.334 . . . . . . . A 2 PHE N . 30938 1 17 . 1 . 1 3 3 PRO HA H 1 4.119 . . . . . . . A 3 PRO HA . 30938 1 18 . 1 . 1 3 3 PRO HB2 H 1 1.878 . . . . . . . A 3 PRO HB2 . 30938 1 19 . 1 . 1 3 3 PRO HB3 H 1 2.070 . . . . . . . A 3 PRO HB3 . 30938 1 20 . 1 . 1 3 3 PRO HG2 H 1 1.969 . . . . . . . A 3 PRO HG2 . 30938 1 21 . 1 . 1 3 3 PRO HG3 H 1 2.106 . . . . . . . A 3 PRO HG3 . 30938 1 22 . 1 . 1 3 3 PRO HD2 H 1 3.950 . . . . . . . A 3 PRO HD2 . 30938 1 23 . 1 . 1 3 3 PRO HD3 H 1 3.682 . . . . . . . A 3 PRO HD3 . 30938 1 24 . 1 . 1 3 3 PRO CA C 13 63.032 . . . . . . . A 3 PRO CA . 30938 1 25 . 1 . 1 3 3 PRO CB C 13 32.142 . . . . . . . A 3 PRO CB . 30938 1 26 . 1 . 1 3 3 PRO CG C 13 27.512 . . . . . . . A 3 PRO CG . 30938 1 27 . 1 . 1 3 3 PRO CD C 13 51.034 . . . . . . . A 3 PRO CD . 30938 1 28 . 1 . 1 4 4 CYS H H 1 8.587 . . . . . . . A 4 CYS H . 30938 1 29 . 1 . 1 4 4 CYS HA H 1 4.601 . . . . . . . A 4 CYS HA . 30938 1 30 . 1 . 1 4 4 CYS HB2 H 1 3.293 . . . . . . . A 4 CYS HB2 . 30938 1 31 . 1 . 1 4 4 CYS HB3 H 1 3.103 . . . . . . . A 4 CYS HB3 . 30938 1 32 . 1 . 1 4 4 CYS CA C 13 55.050 . . . . . . . A 4 CYS CA . 30938 1 33 . 1 . 1 4 4 CYS CB C 13 45.448 . . . . . . . A 4 CYS CB . 30938 1 34 . 1 . 1 4 4 CYS N N 15 119.093 . . . . . . . A 4 CYS N . 30938 1 35 . 1 . 1 5 5 GLY H H 1 8.803 . . . . . . . A 5 GLY H . 30938 1 36 . 1 . 1 5 5 GLY HA2 H 1 4.127 . . . . . . . A 5 GLY HA2 . 30938 1 37 . 1 . 1 5 5 GLY HA3 H 1 3.682 . . . . . . . A 5 GLY HA3 . 30938 1 38 . 1 . 1 5 5 GLY CA C 13 45.791 . . . . . . . A 5 GLY CA . 30938 1 39 . 1 . 1 5 5 GLY N N 15 109.197 . . . . . . . A 5 GLY N . 30938 1 40 . 1 . 1 6 6 GLU H H 1 7.772 . . . . . . . A 6 GLU H . 30938 1 41 . 1 . 1 6 6 GLU HA H 1 4.610 . . . . . . . A 6 GLU HA . 30938 1 42 . 1 . 1 6 6 GLU HB2 H 1 1.849 . . . . . . . A 6 GLU HB2 . 30938 1 43 . 1 . 1 6 6 GLU HB3 H 1 1.748 . . . . . . . A 6 GLU HB3 . 30938 1 44 . 1 . 1 6 6 GLU HG2 H 1 2.567 . . . . . . . A 6 GLU HG2 . 30938 1 45 . 1 . 1 6 6 GLU HG3 H 1 2.452 . . . . . . . A 6 GLU HG3 . 30938 1 46 . 1 . 1 6 6 GLU CA C 13 56.003 . . . . . . . A 6 GLU CA . 30938 1 47 . 1 . 1 6 6 GLU CB C 13 32.581 . . . . . . . A 6 GLU CB . 30938 1 48 . 1 . 1 6 6 GLU CG C 13 33.627 . . . . . . . A 6 GLU CG . 30938 1 49 . 1 . 1 6 6 GLU N N 15 118.194 . . . . . . . A 6 GLU N . 30938 1 50 . 1 . 1 7 7 SER H H 1 8.793 . . . . . . . A 7 SER H . 30938 1 51 . 1 . 1 7 7 SER HA H 1 4.740 . . . . . . . A 7 SER HA . 30938 1 52 . 1 . 1 7 7 SER HB2 H 1 4.063 . . . . . . . A 7 SER HB2 . 30938 1 53 . 1 . 1 7 7 SER HB3 H 1 3.938 . . . . . . . A 7 SER HB3 . 30938 1 54 . 1 . 1 7 7 SER CA C 13 57.340 . . . . . . . A 7 SER CA . 30938 1 55 . 1 . 1 7 7 SER CB C 13 64.796 . . . . . . . A 7 SER CB . 30938 1 56 . 1 . 1 7 7 SER N N 15 119.438 . . . . . . . A 7 SER N . 30938 1 57 . 1 . 1 8 8 CYS H H 1 8.162 . . . . . . . A 8 CYS H . 30938 1 58 . 1 . 1 8 8 CYS HA H 1 5.307 . . . . . . . A 8 CYS HA . 30938 1 59 . 1 . 1 8 8 CYS HB2 H 1 3.277 . . . . . . . A 8 CYS HB2 . 30938 1 60 . 1 . 1 8 8 CYS HB3 H 1 3.186 . . . . . . . A 8 CYS HB3 . 30938 1 61 . 1 . 1 8 8 CYS CA C 13 55.243 . . . . . . . A 8 CYS CA . 30938 1 62 . 1 . 1 8 8 CYS CB C 13 46.106 . . . . . . . A 8 CYS CB . 30938 1 63 . 1 . 1 8 8 CYS N N 15 119.648 . . . . . . . A 8 CYS N . 30938 1 64 . 1 . 1 9 9 VAL H H 1 7.963 . . . . . . . A 9 VAL H . 30938 1 65 . 1 . 1 9 9 VAL HA H 1 3.467 . . . . . . . A 9 VAL HA . 30938 1 66 . 1 . 1 9 9 VAL HB H 1 1.680 . . . . . . . A 9 VAL HB . 30938 1 67 . 1 . 1 9 9 VAL HG11 H 1 0.975 . . . . . . . A 9 VAL HG11 . 30938 1 68 . 1 . 1 9 9 VAL HG12 H 1 0.975 . . . . . . . A 9 VAL HG12 . 30938 1 69 . 1 . 1 9 9 VAL HG13 H 1 0.975 . . . . . . . A 9 VAL HG13 . 30938 1 70 . 1 . 1 9 9 VAL HG21 H 1 0.324 . . . . . . . A 9 VAL HG21 . 30938 1 71 . 1 . 1 9 9 VAL HG22 H 1 0.324 . . . . . . . A 9 VAL HG22 . 30938 1 72 . 1 . 1 9 9 VAL HG23 H 1 0.324 . . . . . . . A 9 VAL HG23 . 30938 1 73 . 1 . 1 9 9 VAL CA C 13 66.065 . . . . . . . A 9 VAL CA . 30938 1 74 . 1 . 1 9 9 VAL CB C 13 32.103 . . . . . . . A 9 VAL CB . 30938 1 75 . 1 . 1 9 9 VAL CG1 C 13 22.611 . . . . . . . A 9 VAL CG1 . 30938 1 76 . 1 . 1 9 9 VAL CG2 C 13 20.625 . . . . . . . A 9 VAL CG2 . 30938 1 77 . 1 . 1 9 9 VAL N N 15 121.905 . . . . . . . A 9 VAL N . 30938 1 78 . 1 . 1 10 10 TYR H H 1 8.269 . . . . . . . A 10 TYR H . 30938 1 79 . 1 . 1 10 10 TYR HA H 1 4.680 . . . . . . . A 10 TYR HA . 30938 1 80 . 1 . 1 10 10 TYR HB2 H 1 3.256 . . . . . . . A 10 TYR HB2 . 30938 1 81 . 1 . 1 10 10 TYR HB3 H 1 2.812 . . . . . . . A 10 TYR HB3 . 30938 1 82 . 1 . 1 10 10 TYR HD1 H 1 7.149 . . . . . . . A 10 TYR HD1 . 30938 1 83 . 1 . 1 10 10 TYR HD2 H 1 7.149 . . . . . . . A 10 TYR HD2 . 30938 1 84 . 1 . 1 10 10 TYR HE1 H 1 6.831 . . . . . . . A 10 TYR HE1 . 30938 1 85 . 1 . 1 10 10 TYR HE2 H 1 6.831 . . . . . . . A 10 TYR HE2 . 30938 1 86 . 1 . 1 10 10 TYR CA C 13 58.020 . . . . . . . A 10 TYR CA . 30938 1 87 . 1 . 1 10 10 TYR CB C 13 40.339 . . . . . . . A 10 TYR CB . 30938 1 88 . 1 . 1 10 10 TYR N N 15 115.184 . . . . . . . A 10 TYR N . 30938 1 89 . 1 . 1 11 11 ILE H H 1 7.558 . . . . . . . A 11 ILE H . 30938 1 90 . 1 . 1 11 11 ILE HA H 1 4.675 . . . . . . . A 11 ILE HA . 30938 1 91 . 1 . 1 11 11 ILE HB H 1 1.893 . . . . . . . A 11 ILE HB . 30938 1 92 . 1 . 1 11 11 ILE HG12 H 1 1.453 . . . . . . . A 11 ILE HG12 . 30938 1 93 . 1 . 1 11 11 ILE HG13 H 1 1.096 . . . . . . . A 11 ILE HG13 . 30938 1 94 . 1 . 1 11 11 ILE HG21 H 1 1.001 . . . . . . . A 11 ILE HG21 . 30938 1 95 . 1 . 1 11 11 ILE HG22 H 1 1.001 . . . . . . . A 11 ILE HG22 . 30938 1 96 . 1 . 1 11 11 ILE HG23 H 1 1.001 . . . . . . . A 11 ILE HG23 . 30938 1 97 . 1 . 1 11 11 ILE HD11 H 1 0.908 . . . . . . . A 11 ILE HD11 . 30938 1 98 . 1 . 1 11 11 ILE HD12 H 1 0.908 . . . . . . . A 11 ILE HD12 . 30938 1 99 . 1 . 1 11 11 ILE HD13 H 1 0.908 . . . . . . . A 11 ILE HD13 . 30938 1 100 . 1 . 1 11 11 ILE CA C 13 58.337 . . . . . . . A 11 ILE CA . 30938 1 101 . 1 . 1 11 11 ILE CB C 13 40.583 . . . . . . . A 11 ILE CB . 30938 1 102 . 1 . 1 11 11 ILE CG1 C 13 26.150 . . . . . . . A 11 ILE CG1 . 30938 1 103 . 1 . 1 11 11 ILE CG2 C 13 17.890 . . . . . . . A 11 ILE CG2 . 30938 1 104 . 1 . 1 11 11 ILE CD1 C 13 13.558 . . . . . . . A 11 ILE CD1 . 30938 1 105 . 1 . 1 11 11 ILE N N 15 118.282 . . . . . . . A 11 ILE N . 30938 1 106 . 1 . 1 12 12 PRO HA H 1 4.390 . . . . . . . A 12 PRO HA . 30938 1 107 . 1 . 1 12 12 PRO HB2 H 1 2.280 . . . . . . . A 12 PRO HB2 . 30938 1 108 . 1 . 1 12 12 PRO HB3 H 1 1.570 . . . . . . . A 12 PRO HB3 . 30938 1 109 . 1 . 1 12 12 PRO HG2 H 1 1.871 . . . . . . . A 12 PRO HG2 . 30938 1 110 . 1 . 1 12 12 PRO HG3 H 1 1.871 . . . . . . . A 12 PRO HG3 . 30938 1 111 . 1 . 1 12 12 PRO HD2 H 1 3.750 . . . . . . . A 12 PRO HD2 . 30938 1 112 . 1 . 1 12 12 PRO HD3 H 1 3.517 . . . . . . . A 12 PRO HD3 . 30938 1 113 . 1 . 1 12 12 PRO CA C 13 62.264 . . . . . . . A 12 PRO CA . 30938 1 114 . 1 . 1 12 12 PRO CB C 13 32.539 . . . . . . . A 12 PRO CB . 30938 1 115 . 1 . 1 12 12 PRO CG C 13 27.481 . . . . . . . A 12 PRO CG . 30938 1 116 . 1 . 1 12 12 PRO CD C 13 50.926 . . . . . . . A 12 PRO CD . 30938 1 117 . 1 . 1 13 13 CYS H H 1 8.544 . . . . . . . A 13 CYS H . 30938 1 118 . 1 . 1 13 13 CYS HA H 1 4.241 . . . . . . . A 13 CYS HA . 30938 1 119 . 1 . 1 13 13 CYS HB2 H 1 2.978 . . . . . . . A 13 CYS HB2 . 30938 1 120 . 1 . 1 13 13 CYS HB3 H 1 2.715 . . . . . . . A 13 CYS HB3 . 30938 1 121 . 1 . 1 13 13 CYS CA C 13 57.204 . . . . . . . A 13 CYS CA . 30938 1 122 . 1 . 1 13 13 CYS CB C 13 41.194 . . . . . . . A 13 CYS CB . 30938 1 123 . 1 . 1 13 13 CYS N N 15 117.886 . . . . . . . A 13 CYS N . 30938 1 124 . 1 . 1 14 14 PHE HA H 1 4.538 . . . . . . . A 14 PHE HA . 30938 1 125 . 1 . 1 14 14 PHE HB2 H 1 3.353 . . . . . . . A 14 PHE HB2 . 30938 1 126 . 1 . 1 14 14 PHE HB3 H 1 3.198 . . . . . . . A 14 PHE HB3 . 30938 1 127 . 1 . 1 14 14 PHE HD1 H 1 7.333 . . . . . . . A 14 PHE HD1 . 30938 1 128 . 1 . 1 14 14 PHE HD2 H 1 7.333 . . . . . . . A 14 PHE HD2 . 30938 1 129 . 1 . 1 14 14 PHE HE1 H 1 7.392 . . . . . . . A 14 PHE HE1 . 30938 1 130 . 1 . 1 14 14 PHE HE2 H 1 7.392 . . . . . . . A 14 PHE HE2 . 30938 1 131 . 1 . 1 14 14 PHE CA C 13 60.086 . . . . . . . A 14 PHE CA . 30938 1 132 . 1 . 1 14 14 PHE CB C 13 38.269 . . . . . . . A 14 PHE CB . 30938 1 133 . 1 . 1 15 15 THR HA H 1 4.133 . . . . . . . A 15 THR HA . 30938 1 134 . 1 . 1 15 15 THR HB H 1 4.480 . . . . . . . A 15 THR HB . 30938 1 135 . 1 . 1 15 15 THR HG21 H 1 1.220 . . . . . . . A 15 THR HG21 . 30938 1 136 . 1 . 1 15 15 THR HG22 H 1 1.220 . . . . . . . A 15 THR HG22 . 30938 1 137 . 1 . 1 15 15 THR HG23 H 1 1.220 . . . . . . . A 15 THR HG23 . 30938 1 138 . 1 . 1 15 15 THR CA C 13 63.833 . . . . . . . A 15 THR CA . 30938 1 139 . 1 . 1 15 15 THR CB C 13 69.057 . . . . . . . A 15 THR CB . 30938 1 140 . 1 . 1 15 15 THR CG2 C 13 21.937 . . . . . . . A 15 THR CG2 . 30938 1 141 . 1 . 1 16 16 ALA H H 1 7.683 . . . . . . . A 16 ALA H . 30938 1 142 . 1 . 1 16 16 ALA HA H 1 4.580 . . . . . . . A 16 ALA HA . 30938 1 143 . 1 . 1 16 16 ALA HB1 H 1 1.416 . . . . . . . A 16 ALA HB1 . 30938 1 144 . 1 . 1 16 16 ALA HB2 H 1 1.416 . . . . . . . A 16 ALA HB2 . 30938 1 145 . 1 . 1 16 16 ALA HB3 H 1 1.416 . . . . . . . A 16 ALA HB3 . 30938 1 146 . 1 . 1 16 16 ALA CA C 13 54.122 . . . . . . . A 16 ALA CA . 30938 1 147 . 1 . 1 16 16 ALA CB C 13 18.971 . . . . . . . A 16 ALA CB . 30938 1 148 . 1 . 1 16 16 ALA N N 15 126.599 . . . . . . . A 16 ALA N . 30938 1 149 . 1 . 1 17 17 ALA H H 1 7.920 . . . . . . . A 17 ALA H . 30938 1 150 . 1 . 1 17 17 ALA HA H 1 4.313 . . . . . . . A 17 ALA HA . 30938 1 151 . 1 . 1 17 17 ALA HB1 H 1 1.408 . . . . . . . A 17 ALA HB1 . 30938 1 152 . 1 . 1 17 17 ALA HB2 H 1 1.408 . . . . . . . A 17 ALA HB2 . 30938 1 153 . 1 . 1 17 17 ALA HB3 H 1 1.408 . . . . . . . A 17 ALA HB3 . 30938 1 154 . 1 . 1 17 17 ALA CA C 13 53.222 . . . . . . . A 17 ALA CA . 30938 1 155 . 1 . 1 17 17 ALA N N 15 120.875 . . . . . . . A 17 ALA N . 30938 1 156 . 1 . 1 18 18 ILE H H 1 7.632 . . . . . . . A 18 ILE H . 30938 1 157 . 1 . 1 18 18 ILE HA H 1 4.256 . . . . . . . A 18 ILE HA . 30938 1 158 . 1 . 1 18 18 ILE HB H 1 2.040 . . . . . . . A 18 ILE HB . 30938 1 159 . 1 . 1 18 18 ILE HG12 H 1 1.545 . . . . . . . A 18 ILE HG12 . 30938 1 160 . 1 . 1 18 18 ILE HG13 H 1 1.169 . . . . . . . A 18 ILE HG13 . 30938 1 161 . 1 . 1 18 18 ILE HG21 H 1 0.904 . . . . . . . A 18 ILE HG21 . 30938 1 162 . 1 . 1 18 18 ILE HG22 H 1 0.904 . . . . . . . A 18 ILE HG22 . 30938 1 163 . 1 . 1 18 18 ILE HG23 H 1 0.904 . . . . . . . A 18 ILE HG23 . 30938 1 164 . 1 . 1 18 18 ILE CA C 13 61.750 . . . . . . . A 18 ILE CA . 30938 1 165 . 1 . 1 18 18 ILE CB C 13 38.103 . . . . . . . A 18 ILE CB . 30938 1 166 . 1 . 1 18 18 ILE CG1 C 13 27.907 . . . . . . . A 18 ILE CG1 . 30938 1 167 . 1 . 1 18 18 ILE CG2 C 13 17.468 . . . . . . . A 18 ILE CG2 . 30938 1 168 . 1 . 1 19 19 GLY H H 1 8.246 . . . . . . . A 19 GLY H . 30938 1 169 . 1 . 1 19 19 GLY HA2 H 1 4.258 . . . . . . . A 19 GLY HA2 . 30938 1 170 . 1 . 1 19 19 GLY HA3 H 1 3.790 . . . . . . . A 19 GLY HA3 . 30938 1 171 . 1 . 1 19 19 GLY CA C 13 45.411 . . . . . . . A 19 GLY CA . 30938 1 172 . 1 . 1 19 19 GLY N N 15 107.416 . . . . . . . A 19 GLY N . 30938 1 173 . 1 . 1 20 20 CYS H H 1 8.005 . . . . . . . A 20 CYS H . 30938 1 174 . 1 . 1 20 20 CYS HA H 1 5.019 . . . . . . . A 20 CYS HA . 30938 1 175 . 1 . 1 20 20 CYS HB2 H 1 3.563 . . . . . . . A 20 CYS HB2 . 30938 1 176 . 1 . 1 20 20 CYS HB3 H 1 2.568 . . . . . . . A 20 CYS HB3 . 30938 1 177 . 1 . 1 20 20 CYS CA C 13 57.731 . . . . . . . A 20 CYS CA . 30938 1 178 . 1 . 1 20 20 CYS CB C 13 48.378 . . . . . . . A 20 CYS CB . 30938 1 179 . 1 . 1 20 20 CYS N N 15 118.274 . . . . . . . A 20 CYS N . 30938 1 180 . 1 . 1 21 21 SER H H 1 9.523 . . . . . . . A 21 SER H . 30938 1 181 . 1 . 1 21 21 SER HA H 1 4.739 . . . . . . . A 21 SER HA . 30938 1 182 . 1 . 1 21 21 SER HB2 H 1 3.858 . . . . . . . A 21 SER HB2 . 30938 1 183 . 1 . 1 21 21 SER HB3 H 1 3.858 . . . . . . . A 21 SER HB3 . 30938 1 184 . 1 . 1 21 21 SER CA C 13 57.352 . . . . . . . A 21 SER CA . 30938 1 185 . 1 . 1 21 21 SER CB C 13 65.798 . . . . . . . A 21 SER CB . 30938 1 186 . 1 . 1 21 21 SER N N 15 116.283 . . . . . . . A 21 SER N . 30938 1 187 . 1 . 1 22 22 CYS H H 1 8.893 . . . . . . . A 22 CYS H . 30938 1 188 . 1 . 1 22 22 CYS HA H 1 4.687 . . . . . . . A 22 CYS HA . 30938 1 189 . 1 . 1 22 22 CYS HB2 H 1 3.181 . . . . . . . A 22 CYS HB2 . 30938 1 190 . 1 . 1 22 22 CYS HB3 H 1 3.105 . . . . . . . A 22 CYS HB3 . 30938 1 191 . 1 . 1 22 22 CYS CA C 13 56.430 . . . . . . . A 22 CYS CA . 30938 1 192 . 1 . 1 22 22 CYS CB C 13 41.433 . . . . . . . A 22 CYS CB . 30938 1 193 . 1 . 1 22 22 CYS N N 15 124.171 . . . . . . . A 22 CYS N . 30938 1 194 . 1 . 1 23 23 LYS H H 1 9.579 . . . . . . . A 23 LYS H . 30938 1 195 . 1 . 1 23 23 LYS HA H 1 4.620 . . . . . . . A 23 LYS HA . 30938 1 196 . 1 . 1 23 23 LYS HB2 H 1 1.825 . . . . . . . A 23 LYS HB2 . 30938 1 197 . 1 . 1 23 23 LYS HB3 H 1 1.825 . . . . . . . A 23 LYS HB3 . 30938 1 198 . 1 . 1 23 23 LYS HG2 H 1 1.400 . . . . . . . A 23 LYS HG2 . 30938 1 199 . 1 . 1 23 23 LYS HG3 H 1 1.267 . . . . . . . A 23 LYS HG3 . 30938 1 200 . 1 . 1 23 23 LYS HD2 H 1 1.489 . . . . . . . A 23 LYS HD2 . 30938 1 201 . 1 . 1 23 23 LYS HD3 H 1 1.403 . . . . . . . A 23 LYS HD3 . 30938 1 202 . 1 . 1 23 23 LYS HE2 H 1 2.777 . . . . . . . A 23 LYS HE2 . 30938 1 203 . 1 . 1 23 23 LYS HE3 H 1 2.777 . . . . . . . A 23 LYS HE3 . 30938 1 204 . 1 . 1 23 23 LYS HZ1 H 1 7.365 . . . . . . . A 23 LYS HZ1 . 30938 1 205 . 1 . 1 23 23 LYS HZ2 H 1 7.365 . . . . . . . A 23 LYS HZ2 . 30938 1 206 . 1 . 1 23 23 LYS HZ3 H 1 7.365 . . . . . . . A 23 LYS HZ3 . 30938 1 207 . 1 . 1 23 23 LYS CA C 13 56.868 . . . . . . . A 23 LYS CA . 30938 1 208 . 1 . 1 23 23 LYS CB C 13 34.224 . . . . . . . A 23 LYS CB . 30938 1 209 . 1 . 1 23 23 LYS CG C 13 24.501 . . . . . . . A 23 LYS CG . 30938 1 210 . 1 . 1 23 23 LYS CD C 13 29.075 . . . . . . . A 23 LYS CD . 30938 1 211 . 1 . 1 23 23 LYS CE C 13 42.047 . . . . . . . A 23 LYS CE . 30938 1 212 . 1 . 1 23 23 LYS N N 15 133.445 . . . . . . . A 23 LYS N . 30938 1 213 . 1 . 1 24 24 SER H H 1 9.287 . . . . . . . A 24 SER H . 30938 1 214 . 1 . 1 24 24 SER HA H 1 3.937 . . . . . . . A 24 SER HA . 30938 1 215 . 1 . 1 24 24 SER HB2 H 1 3.869 . . . . . . . A 24 SER HB2 . 30938 1 216 . 1 . 1 24 24 SER HB3 H 1 4.081 . . . . . . . A 24 SER HB3 . 30938 1 217 . 1 . 1 24 24 SER CA C 13 58.941 . . . . . . . A 24 SER CA . 30938 1 218 . 1 . 1 24 24 SER CB C 13 61.928 . . . . . . . A 24 SER CB . 30938 1 219 . 1 . 1 24 24 SER N N 15 122.132 . . . . . . . A 24 SER N . 30938 1 220 . 1 . 1 25 25 LYS H H 1 8.236 . . . . . . . A 25 LYS H . 30938 1 221 . 1 . 1 25 25 LYS HA H 1 3.523 . . . . . . . A 25 LYS HA . 30938 1 222 . 1 . 1 25 25 LYS HB2 H 1 2.280 . . . . . . . A 25 LYS HB2 . 30938 1 223 . 1 . 1 25 25 LYS HB3 H 1 1.934 . . . . . . . A 25 LYS HB3 . 30938 1 224 . 1 . 1 25 25 LYS HG2 H 1 1.298 . . . . . . . A 25 LYS HG2 . 30938 1 225 . 1 . 1 25 25 LYS HG3 H 1 1.298 . . . . . . . A 25 LYS HG3 . 30938 1 226 . 1 . 1 25 25 LYS HD2 H 1 1.607 . . . . . . . A 25 LYS HD2 . 30938 1 227 . 1 . 1 25 25 LYS HD3 H 1 1.669 . . . . . . . A 25 LYS HD3 . 30938 1 228 . 1 . 1 25 25 LYS HE2 H 1 2.955 . . . . . . . A 25 LYS HE2 . 30938 1 229 . 1 . 1 25 25 LYS HE3 H 1 2.955 . . . . . . . A 25 LYS HE3 . 30938 1 230 . 1 . 1 25 25 LYS HZ1 H 1 7.538 . . . . . . . A 25 LYS HZ1 . 30938 1 231 . 1 . 1 25 25 LYS HZ2 H 1 7.538 . . . . . . . A 25 LYS HZ2 . 30938 1 232 . 1 . 1 25 25 LYS HZ3 H 1 7.538 . . . . . . . A 25 LYS HZ3 . 30938 1 233 . 1 . 1 25 25 LYS CA C 13 59.771 . . . . . . . A 25 LYS CA . 30938 1 234 . 1 . 1 25 25 LYS CB C 13 29.891 . . . . . . . A 25 LYS CB . 30938 1 235 . 1 . 1 25 25 LYS CG C 13 25.810 . . . . . . . A 25 LYS CG . 30938 1 236 . 1 . 1 25 25 LYS CD C 13 29.627 . . . . . . . A 25 LYS CD . 30938 1 237 . 1 . 1 25 25 LYS CE C 13 42.378 . . . . . . . A 25 LYS CE . 30938 1 238 . 1 . 1 26 26 VAL H H 1 8.027 . . . . . . . A 26 VAL H . 30938 1 239 . 1 . 1 26 26 VAL HA H 1 4.286 . . . . . . . A 26 VAL HA . 30938 1 240 . 1 . 1 26 26 VAL HB H 1 2.056 . . . . . . . A 26 VAL HB . 30938 1 241 . 1 . 1 26 26 VAL HG11 H 1 0.959 . . . . . . . A 26 VAL HG11 . 30938 1 242 . 1 . 1 26 26 VAL HG12 H 1 0.959 . . . . . . . A 26 VAL HG12 . 30938 1 243 . 1 . 1 26 26 VAL HG13 H 1 0.959 . . . . . . . A 26 VAL HG13 . 30938 1 244 . 1 . 1 26 26 VAL HG21 H 1 0.624 . . . . . . . A 26 VAL HG21 . 30938 1 245 . 1 . 1 26 26 VAL HG22 H 1 0.624 . . . . . . . A 26 VAL HG22 . 30938 1 246 . 1 . 1 26 26 VAL HG23 H 1 0.624 . . . . . . . A 26 VAL HG23 . 30938 1 247 . 1 . 1 26 26 VAL CA C 13 62.166 . . . . . . . A 26 VAL CA . 30938 1 248 . 1 . 1 26 26 VAL CB C 13 35.542 . . . . . . . A 26 VAL CB . 30938 1 249 . 1 . 1 26 26 VAL CG1 C 13 21.967 . . . . . . . A 26 VAL CG1 . 30938 1 250 . 1 . 1 26 26 VAL CG2 C 13 22.041 . . . . . . . A 26 VAL CG2 . 30938 1 251 . 1 . 1 26 26 VAL N N 15 124.425 . . . . . . . A 26 VAL N . 30938 1 252 . 1 . 1 27 27 CYS H H 1 7.982 . . . . . . . A 27 CYS H . 30938 1 253 . 1 . 1 27 27 CYS HA H 1 5.093 . . . . . . . A 27 CYS HA . 30938 1 254 . 1 . 1 27 27 CYS HB2 H 1 3.032 . . . . . . . A 27 CYS HB2 . 30938 1 255 . 1 . 1 27 27 CYS HB3 H 1 2.726 . . . . . . . A 27 CYS HB3 . 30938 1 256 . 1 . 1 27 27 CYS CA C 13 55.831 . . . . . . . A 27 CYS CA . 30938 1 257 . 1 . 1 27 27 CYS CB C 13 43.174 . . . . . . . A 27 CYS CB . 30938 1 258 . 1 . 1 27 27 CYS N N 15 122.985 . . . . . . . A 27 CYS N . 30938 1 259 . 1 . 1 28 28 TYR H H 1 9.777 . . . . . . . A 28 TYR H . 30938 1 260 . 1 . 1 28 28 TYR HA H 1 5.215 . . . . . . . A 28 TYR HA . 30938 1 261 . 1 . 1 28 28 TYR HB2 H 1 2.833 . . . . . . . A 28 TYR HB2 . 30938 1 262 . 1 . 1 28 28 TYR HB3 H 1 2.833 . . . . . . . A 28 TYR HB3 . 30938 1 263 . 1 . 1 28 28 TYR HE1 H 1 6.831 . . . . . . . A 28 TYR HE1 . 30938 1 264 . 1 . 1 28 28 TYR HE2 H 1 6.831 . . . . . . . A 28 TYR HE2 . 30938 1 265 . 1 . 1 28 28 TYR CA C 13 58.670 . . . . . . . A 28 TYR CA . 30938 1 266 . 1 . 1 28 28 TYR CB C 13 45.279 . . . . . . . A 28 TYR CB . 30938 1 267 . 1 . 1 28 28 TYR N N 15 126.823 . . . . . . . A 28 TYR N . 30938 1 268 . 1 . 1 29 29 LYS H H 1 9.358 . . . . . . . A 29 LYS H . 30938 1 269 . 1 . 1 29 29 LYS HA H 1 4.655 . . . . . . . A 29 LYS HA . 30938 1 270 . 1 . 1 29 29 LYS HB2 H 1 1.946 . . . . . . . A 29 LYS HB2 . 30938 1 271 . 1 . 1 29 29 LYS HB3 H 1 1.947 . . . . . . . A 29 LYS HB3 . 30938 1 272 . 1 . 1 29 29 LYS HG2 H 1 1.256 . . . . . . . A 29 LYS HG2 . 30938 1 273 . 1 . 1 29 29 LYS HG3 H 1 1.414 . . . . . . . A 29 LYS HG3 . 30938 1 274 . 1 . 1 29 29 LYS HD2 H 1 1.730 . . . . . . . A 29 LYS HD2 . 30938 1 275 . 1 . 1 29 29 LYS HD3 H 1 1.665 . . . . . . . A 29 LYS HD3 . 30938 1 276 . 1 . 1 29 29 LYS HE2 H 1 3.005 . . . . . . . A 29 LYS HE2 . 30938 1 277 . 1 . 1 29 29 LYS HE3 H 1 3.005 . . . . . . . A 29 LYS HE3 . 30938 1 278 . 1 . 1 29 29 LYS HZ1 H 1 7.577 . . . . . . . A 29 LYS HZ1 . 30938 1 279 . 1 . 1 29 29 LYS HZ2 H 1 7.577 . . . . . . . A 29 LYS HZ2 . 30938 1 280 . 1 . 1 29 29 LYS HZ3 H 1 7.577 . . . . . . . A 29 LYS HZ3 . 30938 1 281 . 1 . 1 29 29 LYS CA C 13 56.389 . . . . . . . A 29 LYS CA . 30938 1 282 . 1 . 1 29 29 LYS CB C 13 35.211 . . . . . . . A 29 LYS CB . 30938 1 283 . 1 . 1 29 29 LYS CG C 13 25.016 . . . . . . . A 29 LYS CG . 30938 1 284 . 1 . 1 29 29 LYS CD C 13 29.719 . . . . . . . A 29 LYS CD . 30938 1 285 . 1 . 1 29 29 LYS CE C 13 42.315 . . . . . . . A 29 LYS CE . 30938 1 286 . 1 . 1 29 29 LYS N N 15 122.035 . . . . . . . A 29 LYS N . 30938 1 287 . 1 . 1 30 30 ASN H H 1 9.692 . . . . . . . A 30 ASN H . 30938 1 288 . 1 . 1 30 30 ASN HA H 1 4.416 . . . . . . . A 30 ASN HA . 30938 1 289 . 1 . 1 30 30 ASN HB2 H 1 3.222 . . . . . . . A 30 ASN HB2 . 30938 1 290 . 1 . 1 30 30 ASN HB3 H 1 2.957 . . . . . . . A 30 ASN HB3 . 30938 1 291 . 1 . 1 30 30 ASN HD21 H 1 7.044 . . . . . . . A 30 ASN HD21 . 30938 1 292 . 1 . 1 30 30 ASN HD22 H 1 7.783 . . . . . . . A 30 ASN HD22 . 30938 1 293 . 1 . 1 30 30 ASN CA C 13 54.676 . . . . . . . A 30 ASN CA . 30938 1 294 . 1 . 1 30 30 ASN CB C 13 37.602 . . . . . . . A 30 ASN CB . 30938 1 295 . 1 . 1 30 30 ASN N N 15 127.305 . . . . . . . A 30 ASN N . 30938 1 296 . 1 . 1 30 30 ASN ND2 N 15 112.861 . . . . . . . A 30 ASN ND2 . 30938 1 stop_ save_