################################### # 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 34183 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 NOESY' . . . 34183 1 2 '2D 1H-13C HSQC' . . . 34183 1 3 '2D 1H-15N HSQC' . . . 34183 1 4 '2D 1H-1H TOCSY' . . . 34183 1 5 '2D 1H-1H TOCSY' . . . 34183 1 6 '2D 1H-1H NOESY' . . . 34183 1 7 '2D 1H-1H ECOSY' . . . 34183 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 GLY HA2 H 1 3.920 0.000 . . . . . . A 1 GLY HA3 . 34183 1 2 . 1 1 1 1 GLY HA3 H 1 3.920 0.000 . . . . . . A 1 GLY HA3 . 34183 1 3 . 1 1 1 1 GLY CA C 13 43.279 0.000 . . . . . . A 1 GLY CA . 34183 1 4 . 1 1 2 2 CYS H H 1 8.569 0.000 . . . . . . A 2 CYS H . 34183 1 5 . 1 1 2 2 CYS HA H 1 4.937 0.000 . . . . . . A 2 CYS HA . 34183 1 6 . 1 1 2 2 CYS HB2 H 1 3.208 0.000 . . . . . . A 2 CYS HB2 . 34183 1 7 . 1 1 2 2 CYS HB3 H 1 2.960 0.000 . . . . . . A 2 CYS HB3 . 34183 1 8 . 1 1 2 2 CYS CA C 13 53.964 0.000 . . . . . . A 2 CYS CA . 34183 1 9 . 1 1 2 2 CYS CB C 13 42.712 0.000 . . . . . . A 2 CYS CB . 34183 1 10 . 1 1 2 2 CYS N N 15 116.216 0.000 . . . . . . A 2 CYS N . 34183 1 11 . 1 1 3 3 ILE H H 1 9.019 0.000 . . . . . . A 3 ILE H . 34183 1 12 . 1 1 3 3 ILE HA H 1 3.978 0.000 . . . . . . A 3 ILE HA . 34183 1 13 . 1 1 3 3 ILE HB H 1 1.712 0.000 . . . . . . A 3 ILE HB . 34183 1 14 . 1 1 3 3 ILE HG12 H 1 1.642 0.000 . . . . . . A 3 ILE HG12 . 34183 1 15 . 1 1 3 3 ILE HG13 H 1 1.041 0.000 . . . . . . A 3 ILE HG13 . 34183 1 16 . 1 1 3 3 ILE HG21 H 1 1.088 0.000 . . . . . . A 3 ILE HG21 . 34183 1 17 . 1 1 3 3 ILE HG22 H 1 1.088 0.000 . . . . . . A 3 ILE HG22 . 34183 1 18 . 1 1 3 3 ILE HG23 H 1 1.088 0.000 . . . . . . A 3 ILE HG23 . 34183 1 19 . 1 1 3 3 ILE HD11 H 1 0.952 0.000 . . . . . . A 3 ILE HD11 . 34183 1 20 . 1 1 3 3 ILE HD12 H 1 0.952 0.000 . . . . . . A 3 ILE HD12 . 34183 1 21 . 1 1 3 3 ILE HD13 H 1 0.952 0.000 . . . . . . A 3 ILE HD13 . 34183 1 22 . 1 1 3 3 ILE CA C 13 62.504 0.000 . . . . . . A 3 ILE CA . 34183 1 23 . 1 1 3 3 ILE CB C 13 39.319 0.000 . . . . . . A 3 ILE CB . 34183 1 24 . 1 1 3 3 ILE CG1 C 13 27.693 0.016 . . . . . . A 3 ILE CG1 . 34183 1 25 . 1 1 3 3 ILE CG2 C 13 19.893 0.000 . . . . . . A 3 ILE CG2 . 34183 1 26 . 1 1 3 3 ILE CD1 C 13 13.995 0.000 . . . . . . A 3 ILE CD1 . 34183 1 27 . 1 1 3 3 ILE N N 15 121.509 0.000 . . . . . . A 3 ILE N . 34183 1 28 . 1 1 4 4 ALA H H 1 8.795 0.000 . . . . . . A 4 ALA H . 34183 1 29 . 1 1 4 4 ALA HA H 1 4.177 0.000 . . . . . . A 4 ALA HA . 34183 1 30 . 1 1 4 4 ALA HB1 H 1 1.449 0.000 . . . . . . A 4 ALA HB1 . 34183 1 31 . 1 1 4 4 ALA HB2 H 1 1.449 0.000 . . . . . . A 4 ALA HB2 . 34183 1 32 . 1 1 4 4 ALA HB3 H 1 1.449 0.000 . . . . . . A 4 ALA HB3 . 34183 1 33 . 1 1 4 4 ALA CA C 13 52.011 0.000 . . . . . . A 4 ALA CA . 34183 1 34 . 1 1 4 4 ALA CB C 13 19.428 0.000 . . . . . . A 4 ALA CB . 34183 1 35 . 1 1 4 4 ALA N N 15 132.105 0.000 . . . . . . A 4 ALA N . 34183 1 36 . 1 1 5 5 THR H H 1 8.604 0.000 . . . . . . A 5 THR H . 34183 1 37 . 1 1 5 5 THR HA H 1 3.899 0.000 . . . . . . A 5 THR HA . 34183 1 38 . 1 1 5 5 THR HB H 1 3.649 0.000 . . . . . . A 5 THR HB . 34183 1 39 . 1 1 5 5 THR HG21 H 1 1.183 0.000 . . . . . . A 5 THR HG21 . 34183 1 40 . 1 1 5 5 THR HG22 H 1 1.183 0.000 . . . . . . A 5 THR HG22 . 34183 1 41 . 1 1 5 5 THR HG23 H 1 1.183 0.000 . . . . . . A 5 THR HG23 . 34183 1 42 . 1 1 5 5 THR CA C 13 64.819 0.054 . . . . . . A 5 THR CA . 34183 1 43 . 1 1 5 5 THR CB C 13 67.909 0.000 . . . . . . A 5 THR CB . 34183 1 44 . 1 1 5 5 THR CG2 C 13 22.828 0.000 . . . . . . A 5 THR CG2 . 34183 1 45 . 1 1 5 5 THR N N 15 119.236 0.000 . . . . . . A 5 THR N . 34183 1 46 . 1 1 6 6 GLY H H 1 9.717 0.000 . . . . . . A 6 GLY H . 34183 1 47 . 1 1 6 6 GLY HA2 H 1 4.497 0.000 . . . . . . A 6 GLY HA2 . 34183 1 48 . 1 1 6 6 GLY HA3 H 1 3.717 0.000 . . . . . . A 6 GLY HA3 . 34183 1 49 . 1 1 6 6 GLY CA C 13 44.804 0.000 . . . . . . A 6 GLY CA . 34183 1 50 . 1 1 6 6 GLY N N 15 116.696 0.000 . . . . . . A 6 GLY N . 34183 1 51 . 1 1 7 7 SER H H 1 7.993 0.000 . . . . . . A 7 SER H . 34183 1 52 . 1 1 7 7 SER HA H 1 4.712 0.000 . . . . . . A 7 SER HA . 34183 1 53 . 1 1 7 7 SER HB2 H 1 4.122 0.000 . . . . . . A 7 SER HB2 . 34183 1 54 . 1 1 7 7 SER HB3 H 1 4.007 0.000 . . . . . . A 7 SER HB3 . 34183 1 55 . 1 1 7 7 SER CA C 13 58.574 0.000 . . . . . . A 7 SER CA . 34183 1 56 . 1 1 7 7 SER CB C 13 64.408 0.000 . . . . . . A 7 SER CB . 34183 1 57 . 1 1 7 7 SER N N 15 116.922 0.000 . . . . . . A 7 SER N . 34183 1 58 . 1 1 8 8 PHE H H 1 8.217 0.000 . . . . . . A 8 PHE H . 34183 1 59 . 1 1 8 8 PHE HA H 1 5.083 0.000 . . . . . . A 8 PHE HA . 34183 1 60 . 1 1 8 8 PHE HB2 H 1 3.184 0.000 . . . . . . A 8 PHE HB2 . 34183 1 61 . 1 1 8 8 PHE HB3 H 1 2.944 0.000 . . . . . . A 8 PHE HB3 . 34183 1 62 . 1 1 8 8 PHE HD1 H 1 7.381 0.000 . . . . . . A 8 PHE HD1 . 34183 1 63 . 1 1 8 8 PHE HD2 H 1 7.381 0.000 . . . . . . A 8 PHE HD2 . 34183 1 64 . 1 1 8 8 PHE HE1 H 1 7.262 0.000 . . . . . . A 8 PHE HE1 . 34183 1 65 . 1 1 8 8 PHE HE2 H 1 7.262 0.000 . . . . . . A 8 PHE HE2 . 34183 1 66 . 1 1 8 8 PHE CA C 13 58.428 0.000 . . . . . . A 8 PHE CA . 34183 1 67 . 1 1 8 8 PHE CB C 13 39.884 0.000 . . . . . . A 8 PHE CB . 34183 1 68 . 1 1 8 8 PHE N N 15 120.726 0.000 . . . . . . A 8 PHE N . 34183 1 69 . 1 1 9 9 CYS H H 1 7.811 0.000 . . . . . . A 9 CYS H . 34183 1 70 . 1 1 9 9 CYS HA H 1 4.575 0.000 . . . . . . A 9 CYS HA . 34183 1 71 . 1 1 9 9 CYS HB2 H 1 3.039 0.000 . . . . . . A 9 CYS HB2 . 34183 1 72 . 1 1 9 9 CYS HB3 H 1 2.849 0.000 . . . . . . A 9 CYS HB3 . 34183 1 73 . 1 1 9 9 CYS CA C 13 53.008 0.000 . . . . . . A 9 CYS CA . 34183 1 74 . 1 1 9 9 CYS CB C 13 47.119 0.005 . . . . . . A 9 CYS CB . 34183 1 75 . 1 1 9 9 CYS N N 15 120.282 0.000 . . . . . . A 9 CYS N . 34183 1 76 . 1 1 10 10 THR H H 1 7.991 0.000 . . . . . . A 10 THR H . 34183 1 77 . 1 1 10 10 THR HA H 1 4.408 0.000 . . . . . . A 10 THR HA . 34183 1 78 . 1 1 10 10 THR HB H 1 4.177 0.000 . . . . . . A 10 THR HB . 34183 1 79 . 1 1 10 10 THR HG21 H 1 1.137 0.000 . . . . . . A 10 THR HG21 . 34183 1 80 . 1 1 10 10 THR HG22 H 1 1.137 0.000 . . . . . . A 10 THR HG22 . 34183 1 81 . 1 1 10 10 THR HG23 H 1 1.137 0.000 . . . . . . A 10 THR HG23 . 34183 1 82 . 1 1 10 10 THR CA C 13 61.889 0.000 . . . . . . A 10 THR CA . 34183 1 83 . 1 1 10 10 THR CB C 13 70.035 0.000 . . . . . . A 10 THR CB . 34183 1 84 . 1 1 10 10 THR CG2 C 13 22.520 0.000 . . . . . . A 10 THR CG2 . 34183 1 85 . 1 1 10 10 THR N N 15 104.643 0.000 . . . . . . A 10 THR N . 34183 1 86 . 1 1 11 11 LEU H H 1 7.687 0.000 . . . . . . A 11 LEU H . 34183 1 87 . 1 1 11 11 LEU HA H 1 4.799 0.000 . . . . . . A 11 LEU HA . 34183 1 88 . 1 1 11 11 LEU HB2 H 1 1.688 0.000 . . . . . . A 11 LEU HB2 . 34183 1 89 . 1 1 11 11 LEU HB3 H 1 1.630 0.000 . . . . . . A 11 LEU HB3 . 34183 1 90 . 1 1 11 11 LEU HG H 1 1.626 0.000 . . . . . . A 11 LEU HG . 34183 1 91 . 1 1 11 11 LEU HD11 H 1 0.958 0.000 . . . . . . A 11 LEU HD11 . 34183 1 92 . 1 1 11 11 LEU HD12 H 1 0.958 0.000 . . . . . . A 11 LEU HD12 . 34183 1 93 . 1 1 11 11 LEU HD13 H 1 0.958 0.000 . . . . . . A 11 LEU HD13 . 34183 1 94 . 1 1 11 11 LEU HD21 H 1 0.933 0.000 . . . . . . A 11 LEU HD21 . 34183 1 95 . 1 1 11 11 LEU HD22 H 1 0.933 0.000 . . . . . . A 11 LEU HD22 . 34183 1 96 . 1 1 11 11 LEU HD23 H 1 0.933 0.000 . . . . . . A 11 LEU HD23 . 34183 1 97 . 1 1 11 11 LEU CA C 13 53.418 0.000 . . . . . . A 11 LEU CA . 34183 1 98 . 1 1 11 11 LEU CG C 13 26.746 0.000 . . . . . . A 11 LEU CG . 34183 1 99 . 1 1 11 11 LEU CD2 C 13 25.366 0.000 . . . . . . A 11 LEU CD2 . 34183 1 100 . 1 1 11 11 LEU N N 15 122.256 0.000 . . . . . . A 11 LEU N . 34183 1 101 . 1 1 12 12 SER H H 1 9.122 0.000 . . . . . . A 12 SER H . 34183 1 102 . 1 1 12 12 SER HA H 1 3.968 0.002 . . . . . . A 12 SER HA . 34183 1 103 . 1 1 12 12 SER HB2 H 1 3.847 0.002 . . . . . . A 12 SER HB2 . 34183 1 104 . 1 1 12 12 SER HB3 H 1 3.847 0.002 . . . . . . A 12 SER HB3 . 34183 1 105 . 1 1 12 12 SER CA C 13 63.063 0.000 . . . . . . A 12 SER CA . 34183 1 106 . 1 1 12 12 SER CB C 13 62.628 0.000 . . . . . . A 12 SER CB . 34183 1 107 . 1 1 12 12 SER N N 15 122.358 0.000 . . . . . . A 12 SER N . 34183 1 108 . 1 1 13 13 LYS H H 1 8.304 0.000 . . . . . . A 13 LYS H . 34183 1 109 . 1 1 13 13 LYS HA H 1 3.997 0.000 . . . . . . A 13 LYS HA . 34183 1 110 . 1 1 13 13 LYS HB2 H 1 1.848 0.000 . . . . . . A 13 LYS HB2 . 34183 1 111 . 1 1 13 13 LYS HB3 H 1 1.769 0.000 . . . . . . A 13 LYS HB3 . 34183 1 112 . 1 1 13 13 LYS HG2 H 1 1.380 0.000 . . . . . . A 13 LYS HG2 . 34183 1 113 . 1 1 13 13 LYS HG3 H 1 1.380 0.000 . . . . . . A 13 LYS HG3 . 34183 1 114 . 1 1 13 13 LYS CA C 13 58.407 0.000 . . . . . . A 13 LYS CA . 34183 1 115 . 1 1 13 13 LYS CB C 13 31.743 0.000 . . . . . . A 13 LYS CB . 34183 1 116 . 1 1 13 13 LYS CG C 13 24.127 0.000 . . . . . . A 13 LYS CG . 34183 1 117 . 1 1 13 13 LYS N N 15 117.738 0.000 . . . . . . A 13 LYS N . 34183 1 118 . 1 1 14 14 GLY H H 1 7.461 0.000 . . . . . . A 14 GLY H . 34183 1 119 . 1 1 14 14 GLY HA2 H 1 4.209 0.000 . . . . . . A 14 GLY HA2 . 34183 1 120 . 1 1 14 14 GLY HA3 H 1 3.795 0.000 . . . . . . A 14 GLY HA3 . 34183 1 121 . 1 1 14 14 GLY CA C 13 45.208 0.000 . . . . . . A 14 GLY CA . 34183 1 122 . 1 1 14 14 GLY N N 15 102.896 0.000 . . . . . . A 14 GLY N . 34183 1 123 . 1 1 15 15 CYS H H 1 7.662 0.000 . . . . . . A 15 CYS H . 34183 1 124 . 1 1 15 15 CYS HA H 1 4.986 0.000 . . . . . . A 15 CYS HA . 34183 1 125 . 1 1 15 15 CYS HB2 H 1 3.303 0.000 . . . . . . A 15 CYS HB2 . 34183 1 126 . 1 1 15 15 CYS HB3 H 1 2.734 0.000 . . . . . . A 15 CYS HB3 . 34183 1 127 . 1 1 15 15 CYS CA C 13 55.426 0.000 . . . . . . A 15 CYS CA . 34183 1 128 . 1 1 15 15 CYS CB C 13 38.119 0.000 . . . . . . A 15 CYS CB . 34183 1 129 . 1 1 15 15 CYS N N 15 118.858 0.000 . . . . . . A 15 CYS N . 34183 1 130 . 1 1 16 16 CYS H H 1 9.794 0.000 . . . . . . A 16 CYS H . 34183 1 131 . 1 1 16 16 CYS HA H 1 4.521 0.000 . . . . . . A 16 CYS HA . 34183 1 132 . 1 1 16 16 CYS HB2 H 1 3.225 0.000 . . . . . . A 16 CYS HB2 . 34183 1 133 . 1 1 16 16 CYS HB3 H 1 3.123 0.000 . . . . . . A 16 CYS HB3 . 34183 1 134 . 1 1 16 16 CYS CA C 13 53.929 0.000 . . . . . . A 16 CYS CA . 34183 1 135 . 1 1 16 16 CYS CB C 13 38.301 0.000 . . . . . . A 16 CYS CB . 34183 1 136 . 1 1 16 16 CYS N N 15 127.951 0.000 . . . . . . A 16 CYS N . 34183 1 137 . 1 1 17 17 THR H H 1 8.521 0.000 . . . . . . A 17 THR H . 34183 1 138 . 1 1 17 17 THR HA H 1 4.096 0.000 . . . . . . A 17 THR HA . 34183 1 139 . 1 1 17 17 THR HB H 1 4.486 0.000 . . . . . . A 17 THR HB . 34183 1 140 . 1 1 17 17 THR HG21 H 1 1.180 0.000 . . . . . . A 17 THR HG21 . 34183 1 141 . 1 1 17 17 THR HG22 H 1 1.180 0.000 . . . . . . A 17 THR HG22 . 34183 1 142 . 1 1 17 17 THR HG23 H 1 1.180 0.000 . . . . . . A 17 THR HG23 . 34183 1 143 . 1 1 17 17 THR CA C 13 61.832 0.000 . . . . . . A 17 THR CA . 34183 1 144 . 1 1 17 17 THR CB C 13 71.167 0.000 . . . . . . A 17 THR CB . 34183 1 145 . 1 1 17 17 THR CG2 C 13 21.539 0.000 . . . . . . A 17 THR CG2 . 34183 1 146 . 1 1 17 17 THR N N 15 107.902 0.000 . . . . . . A 17 THR N . 34183 1 147 . 1 1 18 18 LYS H H 1 7.667 0.001 . . . . . . A 18 LYS H . 34183 1 148 . 1 1 18 18 LYS HA H 1 4.164 0.000 . . . . . . A 18 LYS HA . 34183 1 149 . 1 1 18 18 LYS HB2 H 1 2.112 0.000 . . . . . . A 18 LYS HB2 . 34183 1 150 . 1 1 18 18 LYS HB3 H 1 1.887 0.000 . . . . . . A 18 LYS HB3 . 34183 1 151 . 1 1 18 18 LYS HG2 H 1 1.395 0.000 . . . . . . A 18 LYS HG2 . 34183 1 152 . 1 1 18 18 LYS HG3 H 1 1.283 0.000 . . . . . . A 18 LYS HG3 . 34183 1 153 . 1 1 18 18 LYS CA C 13 56.310 0.000 . . . . . . A 18 LYS CA . 34183 1 154 . 1 1 18 18 LYS CB C 13 28.988 0.000 . . . . . . A 18 LYS CB . 34183 1 155 . 1 1 18 18 LYS CG C 13 24.799 0.000 . . . . . . A 18 LYS CG . 34183 1 156 . 1 1 18 18 LYS N N 15 112.713 0.000 . . . . . . A 18 LYS N . 34183 1 157 . 1 1 19 19 ASN H H 1 7.263 0.000 . . . . . . A 19 ASN H . 34183 1 158 . 1 1 19 19 ASN HA H 1 4.838 0.000 . . . . . . A 19 ASN HA . 34183 1 159 . 1 1 19 19 ASN HB2 H 1 2.900 0.000 . . . . . . A 19 ASN HB2 . 34183 1 160 . 1 1 19 19 ASN HB3 H 1 2.432 0.000 . . . . . . A 19 ASN HB3 . 34183 1 161 . 1 1 19 19 ASN HD21 H 1 7.016 0.000 . . . . . . A 19 ASN HD21 . 34183 1 162 . 1 1 19 19 ASN HD22 H 1 6.888 0.000 . . . . . . A 19 ASN HD22 . 34183 1 163 . 1 1 19 19 ASN CA C 13 52.521 0.000 . . . . . . A 19 ASN CA . 34183 1 164 . 1 1 19 19 ASN CB C 13 38.974 0.000 . . . . . . A 19 ASN CB . 34183 1 165 . 1 1 19 19 ASN N N 15 114.706 0.000 . . . . . . A 19 ASN N . 34183 1 166 . 1 1 19 19 ASN ND2 N 15 111.514 0.012 . . . . . . A 19 ASN ND2 . 34183 1 167 . 1 1 20 20 CYS H H 1 8.627 0.000 . . . . . . A 20 CYS H . 34183 1 168 . 1 1 20 20 CYS HA H 1 4.865 0.000 . . . . . . A 20 CYS HA . 34183 1 169 . 1 1 20 20 CYS HB2 H 1 2.674 0.000 . . . . . . A 20 CYS HB2 . 34183 1 170 . 1 1 20 20 CYS HB3 H 1 2.602 0.000 . . . . . . A 20 CYS HB3 . 34183 1 171 . 1 1 20 20 CYS CA C 13 54.903 0.000 . . . . . . A 20 CYS CA . 34183 1 172 . 1 1 20 20 CYS CB C 13 39.502 0.000 . . . . . . A 20 CYS CB . 34183 1 173 . 1 1 20 20 CYS N N 15 127.203 0.000 . . . . . . A 20 CYS N . 34183 1 174 . 1 1 21 21 GLY H H 1 8.366 0.000 . . . . . . A 21 GLY H . 34183 1 175 . 1 1 21 21 GLY HA2 H 1 4.279 0.000 . . . . . . A 21 GLY HA2 . 34183 1 176 . 1 1 21 21 GLY HA3 H 1 3.759 0.000 . . . . . . A 21 GLY HA3 . 34183 1 177 . 1 1 21 21 GLY CA C 13 45.234 0.000 . . . . . . A 21 GLY CA . 34183 1 178 . 1 1 21 21 GLY N N 15 114.015 0.000 . . . . . . A 21 GLY N . 34183 1 179 . 1 1 22 22 TRP H H 1 8.154 0.000 . . . . . . A 22 TRP H . 34183 1 180 . 1 1 22 22 TRP HA H 1 4.127 0.000 . . . . . . A 22 TRP HA . 34183 1 181 . 1 1 22 22 TRP HB2 H 1 3.346 0.000 . . . . . . A 22 TRP HB2 . 34183 1 182 . 1 1 22 22 TRP HB3 H 1 3.194 0.000 . . . . . . A 22 TRP HB3 . 34183 1 183 . 1 1 22 22 TRP HD1 H 1 7.348 0.000 . . . . . . A 22 TRP HD1 . 34183 1 184 . 1 1 22 22 TRP HE1 H 1 10.201 0.000 . . . . . . A 22 TRP HE1 . 34183 1 185 . 1 1 22 22 TRP HE3 H 1 7.482 0.000 . . . . . . A 22 TRP HE3 . 34183 1 186 . 1 1 22 22 TRP HZ2 H 1 7.492 0.000 . . . . . . A 22 TRP HZ2 . 34183 1 187 . 1 1 22 22 TRP HZ3 H 1 7.257 0.000 . . . . . . A 22 TRP HZ3 . 34183 1 188 . 1 1 22 22 TRP HH2 H 1 7.155 0.000 . . . . . . A 22 TRP HH2 . 34183 1 189 . 1 1 22 22 TRP CA C 13 58.055 0.000 . . . . . . A 22 TRP CA . 34183 1 190 . 1 1 22 22 TRP CB C 13 27.902 0.003 . . . . . . A 22 TRP CB . 34183 1 191 . 1 1 22 22 TRP N N 15 119.938 0.000 . . . . . . A 22 TRP N . 34183 1 192 . 1 1 23 23 ASN H H 1 7.465 0.000 . . . . . . A 23 ASN H . 34183 1 193 . 1 1 23 23 ASN HA H 1 4.080 0.000 . . . . . . A 23 ASN HA . 34183 1 194 . 1 1 23 23 ASN HB2 H 1 2.648 0.000 . . . . . . A 23 ASN HB2 . 34183 1 195 . 1 1 23 23 ASN HB3 H 1 1.267 0.000 . . . . . . A 23 ASN HB3 . 34183 1 196 . 1 1 23 23 ASN HD21 H 1 7.248 0.000 . . . . . . A 23 ASN HD21 . 34183 1 197 . 1 1 23 23 ASN HD22 H 1 6.957 0.000 . . . . . . A 23 ASN HD22 . 34183 1 198 . 1 1 23 23 ASN CA C 13 51.390 0.000 . . . . . . A 23 ASN CA . 34183 1 199 . 1 1 23 23 ASN CB C 13 35.044 0.000 . . . . . . A 23 ASN CB . 34183 1 200 . 1 1 23 23 ASN N N 15 115.620 0.000 . . . . . . A 23 ASN N . 34183 1 201 . 1 1 23 23 ASN ND2 N 15 109.617 0.000 . . . . . . A 23 ASN ND2 . 34183 1 202 . 1 1 24 24 PHE H H 1 7.842 0.000 . . . . . . A 24 PHE H . 34183 1 203 . 1 1 24 24 PHE HA H 1 3.845 0.000 . . . . . . A 24 PHE HA . 34183 1 204 . 1 1 24 24 PHE HB2 H 1 3.682 0.000 . . . . . . A 24 PHE HB2 . 34183 1 205 . 1 1 24 24 PHE HB3 H 1 3.162 0.000 . . . . . . A 24 PHE HB3 . 34183 1 206 . 1 1 24 24 PHE HD1 H 1 7.307 0.000 . . . . . . A 24 PHE HD1 . 34183 1 207 . 1 1 24 24 PHE HD2 H 1 7.307 0.000 . . . . . . A 24 PHE HD2 . 34183 1 208 . 1 1 24 24 PHE HE1 H 1 7.405 0.000 . . . . . . A 24 PHE HE1 . 34183 1 209 . 1 1 24 24 PHE HE2 H 1 7.405 0.000 . . . . . . A 24 PHE HE2 . 34183 1 210 . 1 1 24 24 PHE CA C 13 59.599 0.000 . . . . . . A 24 PHE CA . 34183 1 211 . 1 1 24 24 PHE CB C 13 34.585 0.000 . . . . . . A 24 PHE CB . 34183 1 212 . 1 1 24 24 PHE N N 15 113.852 0.000 . . . . . . A 24 PHE N . 34183 1 213 . 1 1 25 25 LYS H H 1 6.551 0.000 . . . . . . A 25 LYS H . 34183 1 214 . 1 1 25 25 LYS HA H 1 4.962 0.001 . . . . . . A 25 LYS HA . 34183 1 215 . 1 1 25 25 LYS HB2 H 1 1.334 0.000 . . . . . . A 25 LYS HB2 . 34183 1 216 . 1 1 25 25 LYS HB3 H 1 1.185 0.000 . . . . . . A 25 LYS HB3 . 34183 1 217 . 1 1 25 25 LYS HG2 H 1 1.216 0.000 . . . . . . A 25 LYS HG2 . 34183 1 218 . 1 1 25 25 LYS HG3 H 1 0.954 0.000 . . . . . . A 25 LYS HG3 . 34183 1 219 . 1 1 25 25 LYS CA C 13 53.879 0.000 . . . . . . A 25 LYS CA . 34183 1 220 . 1 1 25 25 LYS CB C 13 36.543 0.000 . . . . . . A 25 LYS CB . 34183 1 221 . 1 1 25 25 LYS CG C 13 25.096 0.013 . . . . . . A 25 LYS CG . 34183 1 222 . 1 1 25 25 LYS N N 15 112.704 0.000 . . . . . . A 25 LYS N . 34183 1 223 . 1 1 26 26 CYS H H 1 8.293 0.000 . . . . . . A 26 CYS H . 34183 1 224 . 1 1 26 26 CYS HA H 1 5.038 0.000 . . . . . . A 26 CYS HA . 34183 1 225 . 1 1 26 26 CYS HB2 H 1 3.372 0.000 . . . . . . A 26 CYS HB2 . 34183 1 226 . 1 1 26 26 CYS HB3 H 1 2.915 0.000 . . . . . . A 26 CYS HB3 . 34183 1 227 . 1 1 26 26 CYS CA C 13 54.311 0.000 . . . . . . A 26 CYS CA . 34183 1 228 . 1 1 26 26 CYS CB C 13 37.191 0.043 . . . . . . A 26 CYS CB . 34183 1 229 . 1 1 26 26 CYS N N 15 120.427 0.000 . . . . . . A 26 CYS N . 34183 1 230 . 1 1 27 27 ASN H H 1 9.078 0.000 . . . . . . A 27 ASN H . 34183 1 231 . 1 1 27 27 ASN HA H 1 5.366 0.000 . . . . . . A 27 ASN HA . 34183 1 232 . 1 1 27 27 ASN HB2 H 1 2.759 0.000 . . . . . . A 27 ASN HB2 . 34183 1 233 . 1 1 27 27 ASN HB3 H 1 2.387 0.000 . . . . . . A 27 ASN HB3 . 34183 1 234 . 1 1 27 27 ASN HD21 H 1 7.438 0.000 . . . . . . A 27 ASN HD21 . 34183 1 235 . 1 1 27 27 ASN HD22 H 1 6.950 0.000 . . . . . . A 27 ASN HD22 . 34183 1 236 . 1 1 27 27 ASN CA C 13 50.694 0.000 . . . . . . A 27 ASN CA . 34183 1 237 . 1 1 27 27 ASN CB C 13 40.114 0.000 . . . . . . A 27 ASN CB . 34183 1 238 . 1 1 27 27 ASN N N 15 125.915 0.000 . . . . . . A 27 ASN N . 34183 1 239 . 1 1 27 27 ASN ND2 N 15 110.664 0.012 . . . . . . A 27 ASN ND2 . 34183 1 240 . 1 1 28 28 HYP CA C 13 60.747 0.000 . . . . . . A 28 HYP CA . 34183 1 241 . 1 1 28 28 HYP CB C 13 38.440 0.946 . . . . . . A 28 HYP CB . 34183 1 242 . 1 1 28 28 HYP CG C 13 72.442 0.000 . . . . . . A 28 HYP CG . 34183 1 243 . 1 1 28 28 HYP HA H 1 4.853 0.000 . . . . . . A 28 HYP HA . 34183 1 244 . 1 1 28 28 HYP HB2 H 1 2.478 0.000 . . . . . . A 28 HYP HB2 . 34183 1 245 . 1 1 28 28 HYP HB3 H 1 1.889 0.000 . . . . . . A 28 HYP HB3 . 34183 1 246 . 1 1 28 28 HYP HD22 H 1 3.846 0.000 . . . . . . A 28 HYP HD1 . 34183 1 247 . 1 1 28 28 HYP HD23 H 1 3.702 0.000 . . . . . . A 28 HYP HD1 . 34183 1 248 . 1 1 28 28 HYP HG H 1 4.630 0.000 . . . . . . A 28 HYP HG . 34183 1 249 . 1 1 29 29 HYP CA C 13 62.267 0.000 . . . . . . A 29 HYP CA . 34183 1 250 . 1 1 29 29 HYP CB C 13 39.412 0.000 . . . . . . A 29 HYP CB . 34183 1 251 . 1 1 29 29 HYP CG C 13 72.291 0.000 . . . . . . A 29 HYP CG . 34183 1 252 . 1 1 29 29 HYP HA H 1 4.480 0.008 . . . . . . A 29 HYP HA . 34183 1 253 . 1 1 29 29 HYP HB2 H 1 2.350 0.000 . . . . . . A 29 HYP HB2 . 34183 1 254 . 1 1 29 29 HYP HB3 H 1 2.096 0.000 . . . . . . A 29 HYP HB3 . 34183 1 255 . 1 1 29 29 HYP HD22 H 1 3.847 0.000 . . . . . . A 29 HYP HD1 . 34183 1 256 . 1 1 29 29 HYP HD23 H 1 3.707 0.000 . . . . . . A 29 HYP HD1 . 34183 1 257 . 1 1 29 29 HYP HG H 1 4.640 0.000 . . . . . . A 29 HYP HG . 34183 1 258 . 1 1 30 30 ASN H H 1 8.820 0.000 . . . . . . A 30 ASN H . 34183 1 259 . 1 1 30 30 ASN HA H 1 4.523 0.000 . . . . . . A 30 ASN HA . 34183 1 260 . 1 1 30 30 ASN HB2 H 1 2.871 0.000 . . . . . . A 30 ASN HB2 . 34183 1 261 . 1 1 30 30 ASN HB3 H 1 2.833 0.000 . . . . . . A 30 ASN HB3 . 34183 1 262 . 1 1 30 30 ASN HD21 H 1 7.512 0.000 . . . . . . A 30 ASN HD21 . 34183 1 263 . 1 1 30 30 ASN HD22 H 1 6.811 0.000 . . . . . . A 30 ASN HD22 . 34183 1 264 . 1 1 30 30 ASN CA C 13 57.839 0.000 . . . . . . A 30 ASN CA . 34183 1 265 . 1 1 30 30 ASN CB C 13 38.249 0.009 . . . . . . A 30 ASN CB . 34183 1 266 . 1 1 30 30 ASN ND2 N 15 111.822 0.000 . . . . . . A 30 ASN ND2 . 34183 1 267 . 1 1 31 31 GLN H H 1 7.805 0.000 . . . . . . A 31 GLN H . 34183 1 268 . 1 1 31 31 GLN HA H 1 4.223 0.000 . . . . . . A 31 GLN HA . 34183 1 269 . 1 1 31 31 GLN HB2 H 1 2.129 0.000 . . . . . . A 31 GLN HB2 . 34183 1 270 . 1 1 31 31 GLN HB3 H 1 1.812 0.000 . . . . . . A 31 GLN HB3 . 34183 1 271 . 1 1 31 31 GLN HG2 H 1 2.261 0.000 . . . . . . A 31 GLN HG2 . 34183 1 272 . 1 1 31 31 GLN HG3 H 1 2.261 0.000 . . . . . . A 31 GLN HG3 . 34183 1 273 . 1 1 31 31 GLN HE21 H 1 6.882 0.000 . . . . . . A 31 GLN HE21 . 34183 1 274 . 1 1 31 31 GLN HE22 H 1 7.601 0.000 . . . . . . A 31 GLN HE22 . 34183 1 275 . 1 1 31 31 GLN CA C 13 57.051 0.000 . . . . . . A 31 GLN CA . 34183 1 276 . 1 1 31 31 GLN CB C 13 30.698 0.016 . . . . . . A 31 GLN CB . 34183 1 277 . 1 1 31 31 GLN CG C 13 34.167 0.000 . . . . . . A 31 GLN CG . 34183 1 278 . 1 1 31 31 GLN N N 15 124.156 0.000 . . . . . . A 31 GLN N . 34183 1 279 . 1 1 31 31 GLN NE2 N 15 112.882 0.000 . . . . . . A 31 GLN NE2 . 34183 1 stop_ save_