################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17987 _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 $chemical_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 NOESY . . . 17987 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.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 2 2 SER H H 1 8.253 0.000 . 1 . . . A 2 SER H . 17987 1 2 . 1 1 2 2 SER HA H 1 4.033 0.000 . 1 . . . A 2 SER HA . 17987 1 3 . 1 1 2 2 SER HB2 H 1 3.977 0.000 . 2 . . . A 2 SER HB2 . 17987 1 4 . 1 1 2 2 SER HB3 H 1 4.031 0.001 . 2 . . . A 2 SER HB3 . 17987 1 5 . 1 1 3 3 GLY H H 1 8.377 0.001 . 1 . . . A 3 GLY H . 17987 1 6 . 1 1 3 3 GLY HA2 H 1 3.862 0.001 . 2 . . . A 3 GLY HA2 . 17987 1 7 . 1 1 3 3 GLY HA3 H 1 4.162 0.001 . 2 . . . A 3 GLY HA3 . 17987 1 8 . 1 1 4 4 CYS H H 1 8.369 0.001 . 1 . . . A 4 CYS H . 17987 1 9 . 1 1 4 4 CYS HA H 1 4.908 0.000 . 1 . . . A 4 CYS HA . 17987 1 10 . 1 1 4 4 CYS HB2 H 1 3.065 0.001 . 2 . . . A 4 CYS HB2 . 17987 1 11 . 1 1 4 4 CYS HB3 H 1 3.160 0.000 . 2 . . . A 4 CYS HB3 . 17987 1 12 . 1 1 5 5 MET H H 1 8.524 0.001 . 1 . . . A 5 MET H . 17987 1 13 . 1 1 5 5 MET HA H 1 4.571 0.002 . 1 . . . A 5 MET HA . 17987 1 14 . 1 1 5 5 MET HB2 H 1 2.126 0.002 . 2 . . . A 5 MET HB2 . 17987 1 15 . 1 1 5 5 MET HB3 H 1 2.374 0.002 . 2 . . . A 5 MET HB3 . 17987 1 16 . 1 1 5 5 MET HG2 H 1 2.647 0.002 . 2 . . . A 5 MET HG2 . 17987 1 17 . 1 1 5 5 MET HG3 H 1 2.775 0.001 . 2 . . . A 5 MET HG3 . 17987 1 18 . 1 1 6 6 LYS H H 1 8.857 0.001 . 1 . . . A 6 LYS H . 17987 1 19 . 1 1 6 6 LYS HA H 1 3.832 0.003 . 1 . . . A 6 LYS HA . 17987 1 20 . 1 1 6 6 LYS HB2 H 1 1.844 0.001 . 2 . . . A 6 LYS HB2 . 17987 1 21 . 1 1 6 6 LYS HB3 H 1 1.908 0.001 . 2 . . . A 6 LYS HB3 . 17987 1 22 . 1 1 6 6 LYS HG2 H 1 1.494 0.003 . 2 . . . A 6 LYS QG . 17987 1 23 . 1 1 6 6 LYS HG3 H 1 1.494 0.003 . 2 . . . A 6 LYS QG . 17987 1 24 . 1 1 6 6 LYS HD2 H 1 1.716 0.003 . 2 . . . A 6 LYS QD . 17987 1 25 . 1 1 6 6 LYS HD3 H 1 1.716 0.003 . 2 . . . A 6 LYS QD . 17987 1 26 . 1 1 6 6 LYS HE2 H 1 2.857 0.000 . 2 . . . A 6 LYS QE . 17987 1 27 . 1 1 6 6 LYS HE3 H 1 2.857 0.000 . 2 . . . A 6 LYS QE . 17987 1 28 . 1 1 7 7 GLU H H 1 8.881 0.001 . 1 . . . A 7 GLU H . 17987 1 29 . 1 1 7 7 GLU HA H 1 4.115 0.003 . 1 . . . A 7 GLU HA . 17987 1 30 . 1 1 7 7 GLU HB2 H 1 2.156 0.003 . 2 . . . A 7 GLU HB2 . 17987 1 31 . 1 1 7 7 GLU HB3 H 1 2.546 0.006 . 2 . . . A 7 GLU HB3 . 17987 1 32 . 1 1 7 7 GLU HG2 H 1 2.080 0.006 . 2 . . . A 7 GLU QG . 17987 1 33 . 1 1 7 7 GLU HG3 H 1 2.080 0.006 . 2 . . . A 7 GLU QG . 17987 1 34 . 1 1 8 8 TYR H H 1 7.182 0.002 . 1 . . . A 8 TYR H . 17987 1 35 . 1 1 8 8 TYR HA H 1 4.293 0.001 . 1 . . . A 8 TYR HA . 17987 1 36 . 1 1 8 8 TYR HB2 H 1 3.238 0.001 . 2 . . . A 8 TYR HB2 . 17987 1 37 . 1 1 8 8 TYR HB3 H 1 3.093 0.003 . 2 . . . A 8 TYR HB3 . 17987 1 38 . 1 1 8 8 TYR HD1 H 1 7.078 0.002 . 3 . . . A 8 TYR HD1 . 17987 1 39 . 1 1 8 8 TYR HD2 H 1 7.078 0.002 . 3 . . . A 8 TYR HD2 . 17987 1 40 . 1 1 8 8 TYR HE1 H 1 6.736 0.001 . 3 . . . A 8 TYR HE1 . 17987 1 41 . 1 1 8 8 TYR HE2 H 1 6.736 0.001 . 3 . . . A 8 TYR HE2 . 17987 1 42 . 1 1 9 9 CYS H H 1 8.072 0.002 . 1 . . . A 9 CYS H . 17987 1 43 . 1 1 9 9 CYS HA H 1 4.239 0.002 . 1 . . . A 9 CYS HA . 17987 1 44 . 1 1 9 9 CYS HB2 H 1 2.854 0.002 . 2 . . . A 9 CYS HB2 . 17987 1 45 . 1 1 9 9 CYS HB3 H 1 2.924 0.003 . 2 . . . A 9 CYS HB3 . 17987 1 46 . 1 1 10 10 ALA H H 1 8.686 0.002 . 1 . . . A 10 ALA H . 17987 1 47 . 1 1 10 10 ALA HA H 1 4.151 0.002 . 1 . . . A 10 ALA HA . 17987 1 48 . 1 1 10 10 ALA HB1 H 1 1.388 0.001 . . . . . A 10 ALA QB . 17987 1 49 . 1 1 10 10 ALA HB2 H 1 1.388 0.001 . . . . . A 10 ALA QB . 17987 1 50 . 1 1 10 10 ALA HB3 H 1 1.388 0.001 . . . . . A 10 ALA QB . 17987 1 51 . 1 1 11 11 GLY H H 1 7.340 0.003 . 1 . . . A 11 GLY H . 17987 1 52 . 1 1 11 11 GLY HA2 H 1 3.840 0.001 . 2 . . . A 11 GLY HA2 . 17987 1 53 . 1 1 11 11 GLY HA3 H 1 4.112 0.001 . 2 . . . A 11 GLY HA3 . 17987 1 54 . 1 1 12 12 GLN H H 1 7.511 0.003 . 1 . . . A 12 GLN H . 17987 1 55 . 1 1 12 12 GLN HA H 1 4.217 0.005 . 1 . . . A 12 GLN HA . 17987 1 56 . 1 1 12 12 GLN HB2 H 1 1.604 0.002 . 2 . . . A 12 GLN HB2 . 17987 1 57 . 1 1 12 12 GLN HG2 H 1 1.903 0.005 . 2 . . . A 12 GLN HG2 . 17987 1 58 . 1 1 12 12 GLN HG3 H 1 2.001 0.004 . 2 . . . A 12 GLN HG3 . 17987 1 59 . 1 1 12 12 GLN HE21 H 1 6.781 0.000 . 2 . . . A 12 GLN HE21 . 17987 1 60 . 1 1 12 12 GLN HE22 H 1 7.137 0.000 . 2 . . . A 12 GLN HE22 . 17987 1 61 . 1 1 13 13 CYS H H 1 7.719 0.002 . 1 . . . A 13 CYS H . 17987 1 62 . 1 1 13 13 CYS HA H 1 5.060 0.000 . 1 . . . A 13 CYS HA . 17987 1 63 . 1 1 13 13 CYS HB2 H 1 2.517 0.001 . 2 . . . A 13 CYS HB2 . 17987 1 64 . 1 1 13 13 CYS HB3 H 1 3.313 0.002 . 2 . . . A 13 CYS HB3 . 17987 1 65 . 1 1 14 14 ARG H H 1 8.736 0.001 . 1 . . . A 14 ARG H . 17987 1 66 . 1 1 14 14 ARG HA H 1 4.521 0.000 . 1 . . . A 14 ARG HA . 17987 1 67 . 1 1 14 14 ARG HB2 H 1 1.816 0.001 . 2 . . . A 14 ARG QB . 17987 1 68 . 1 1 14 14 ARG HB3 H 1 1.816 0.001 . 2 . . . A 14 ARG QB . 17987 1 69 . 1 1 14 14 ARG HG2 H 1 1.593 0.001 . 2 . . . A 14 ARG HG2 . 17987 1 70 . 1 1 14 14 ARG HG3 H 1 1.684 0.002 . 2 . . . A 14 ARG HG3 . 17987 1 71 . 1 1 14 14 ARG HD2 H 1 3.211 0.000 . 2 . . . A 14 ARG QD . 17987 1 72 . 1 1 14 14 ARG HD3 H 1 3.211 0.000 . 2 . . . A 14 ARG QD . 17987 1 73 . 1 1 15 15 GLY H H 1 8.478 0.001 . 1 . . . A 15 GLY H . 17987 1 74 . 1 1 15 15 GLY HA2 H 1 3.775 0.001 . 2 . . . A 15 GLY HA2 . 17987 1 75 . 1 1 15 15 GLY HA3 H 1 4.381 0.000 . 2 . . . A 15 GLY HA3 . 17987 1 76 . 1 1 16 16 LYS H H 1 8.335 0.003 . 1 . . . A 16 LYS H . 17987 1 77 . 1 1 16 16 LYS HA H 1 3.903 0.001 . 1 . . . A 16 LYS HA . 17987 1 78 . 1 1 16 16 LYS HB2 H 1 1.815 0.003 . 2 . . . A 16 LYS HB2 . 17987 1 79 . 1 1 16 16 LYS HB3 H 1 1.883 0.001 . 2 . . . A 16 LYS HB3 . 17987 1 80 . 1 1 16 16 LYS HG2 H 1 1.432 0.001 . 2 . . . A 16 LYS HG2 . 17987 1 81 . 1 1 16 16 LYS HG3 H 1 1.508 0.000 . 2 . . . A 16 LYS HG3 . 17987 1 82 . 1 1 16 16 LYS HD2 H 1 1.718 0.000 . 2 . . . A 16 LYS QD . 17987 1 83 . 1 1 16 16 LYS HD3 H 1 1.718 0.000 . 2 . . . A 16 LYS QD . 17987 1 84 . 1 1 16 16 LYS HE2 H 1 3.026 0.000 . 2 . . . A 16 LYS QE . 17987 1 85 . 1 1 16 16 LYS HE3 H 1 3.026 0.000 . 2 . . . A 16 LYS QE . 17987 1 86 . 1 1 17 17 VAL H H 1 8.131 0.003 . 1 . . . A 17 VAL H . 17987 1 87 . 1 1 17 17 VAL HA H 1 3.823 0.004 . 1 . . . A 17 VAL HA . 17987 1 88 . 1 1 17 17 VAL HB H 1 2.011 0.002 . 1 . . . A 17 VAL HB . 17987 1 89 . 1 1 17 17 VAL HG11 H 1 0.991 0.001 . . . . . A 17 VAL QG1 . 17987 1 90 . 1 1 17 17 VAL HG12 H 1 0.991 0.001 . . . . . A 17 VAL QG1 . 17987 1 91 . 1 1 17 17 VAL HG13 H 1 0.991 0.001 . . . . . A 17 VAL QG1 . 17987 1 92 . 1 1 17 17 VAL HG21 H 1 1.096 0.003 . . . . . A 17 VAL QG2 . 17987 1 93 . 1 1 17 17 VAL HG22 H 1 1.096 0.003 . . . . . A 17 VAL QG2 . 17987 1 94 . 1 1 17 17 VAL HG23 H 1 1.096 0.003 . . . . . A 17 VAL QG2 . 17987 1 95 . 1 1 18 18 SER H H 1 8.515 0.005 . 1 . . . A 18 SER H . 17987 1 96 . 1 1 18 18 SER HA H 1 4.265 0.002 . 1 . . . A 18 SER HA . 17987 1 97 . 1 1 18 18 SER HB2 H 1 3.932 0.003 . 2 . . . A 18 SER HB2 . 17987 1 98 . 1 1 18 18 SER HB3 H 1 4.008 0.003 . 2 . . . A 18 SER HB3 . 17987 1 99 . 1 1 19 19 GLN H H 1 8.404 0.003 . 1 . . . A 19 GLN H . 17987 1 100 . 1 1 19 19 GLN HA H 1 3.645 0.003 . 1 . . . A 19 GLN HA . 17987 1 101 . 1 1 19 19 GLN HB2 H 1 2.146 0.002 . 2 . . . A 19 GLN HB2 . 17987 1 102 . 1 1 19 19 GLN HB3 H 1 1.950 0.004 . 2 . . . A 19 GLN HB3 . 17987 1 103 . 1 1 19 19 GLN HG2 H 1 2.290 0.003 . 2 . . . A 19 GLN HG2 . 17987 1 104 . 1 1 19 19 GLN HG3 H 1 2.478 0.004 . 2 . . . A 19 GLN HG3 . 17987 1 105 . 1 1 19 19 GLN HE21 H 1 7.418 0.005 . 2 . . . A 19 GLN HE21 . 17987 1 106 . 1 1 19 19 GLN HE22 H 1 6.810 0.002 . 2 . . . A 19 GLN HE22 . 17987 1 107 . 1 1 20 20 ASP H H 1 8.775 0.003 . 1 . . . A 20 ASP H . 17987 1 108 . 1 1 20 20 ASP HA H 1 4.518 0.003 . 1 . . . A 20 ASP HA . 17987 1 109 . 1 1 20 20 ASP HB2 H 1 2.924 0.003 . 2 . . . A 20 ASP HB2 . 17987 1 110 . 1 1 20 20 ASP HB3 H 1 3.123 0.007 . 2 . . . A 20 ASP HB3 . 17987 1 111 . 1 1 21 21 TYR H H 1 8.191 0.003 . 1 . . . A 21 TYR H . 17987 1 112 . 1 1 21 21 TYR HA H 1 4.358 0.004 . 1 . . . A 21 TYR HA . 17987 1 113 . 1 1 21 21 TYR HB2 H 1 3.246 0.004 . 2 . . . A 21 TYR HB2 . 17987 1 114 . 1 1 21 21 TYR HB3 H 1 3.510 0.003 . 2 . . . A 21 TYR HB3 . 17987 1 115 . 1 1 21 21 TYR HD1 H 1 7.347 0.003 . 3 . . . A 21 TYR HD1 . 17987 1 116 . 1 1 21 21 TYR HD2 H 1 7.347 0.003 . 3 . . . A 21 TYR HD2 . 17987 1 117 . 1 1 21 21 TYR HE1 H 1 6.449 0.001 . 3 . . . A 21 TYR HE1 . 17987 1 118 . 1 1 21 21 TYR HE2 H 1 6.449 0.001 . 3 . . . A 21 TYR HE2 . 17987 1 119 . 1 1 22 22 CYS H H 1 8.698 0.001 . 1 . . . A 22 CYS H . 17987 1 120 . 1 1 22 22 CYS HA H 1 4.588 0.006 . 1 . . . A 22 CYS HA . 17987 1 121 . 1 1 22 22 CYS HB2 H 1 3.342 0.001 . 2 . . . A 22 CYS HB2 . 17987 1 122 . 1 1 22 22 CYS HB3 H 1 3.622 0.001 . 2 . . . A 22 CYS HB3 . 17987 1 123 . 1 1 23 23 LEU H H 1 8.254 0.001 . 1 . . . A 23 LEU H . 17987 1 124 . 1 1 23 23 LEU HA H 1 4.150 0.001 . 1 . . . A 23 LEU HA . 17987 1 125 . 1 1 23 23 LEU HB2 H 1 2.127 0.000 . 2 . . . A 23 LEU HB2 . 17987 1 126 . 1 1 23 23 LEU HB3 H 1 2.007 0.003 . 2 . . . A 23 LEU HB3 . 17987 1 127 . 1 1 23 23 LEU HG H 1 1.586 0.001 . 1 . . . A 23 LEU HG . 17987 1 128 . 1 1 23 23 LEU HD11 H 1 0.852 0.003 . . . . . A 23 LEU QD1 . 17987 1 129 . 1 1 23 23 LEU HD12 H 1 0.852 0.003 . . . . . A 23 LEU QD1 . 17987 1 130 . 1 1 23 23 LEU HD13 H 1 0.852 0.003 . . . . . A 23 LEU QD1 . 17987 1 131 . 1 1 23 23 LEU HD21 H 1 1.014 0.005 . . . . . A 23 LEU QD2 . 17987 1 132 . 1 1 23 23 LEU HD22 H 1 1.014 0.005 . . . . . A 23 LEU QD2 . 17987 1 133 . 1 1 23 23 LEU HD23 H 1 1.014 0.005 . . . . . A 23 LEU QD2 . 17987 1 134 . 1 1 24 24 LYS H H 1 6.923 0.001 . 1 . . . A 24 LYS H . 17987 1 135 . 1 1 24 24 LYS HA H 1 4.337 0.006 . 1 . . . A 24 LYS HA . 17987 1 136 . 1 1 24 24 LYS HB2 H 1 1.437 0.002 . 2 . . . A 24 LYS HB2 . 17987 1 137 . 1 1 24 24 LYS HB3 H 1 1.565 0.000 . 2 . . . A 24 LYS HB3 . 17987 1 138 . 1 1 24 24 LYS HG2 H 1 1.264 0.002 . 2 . . . A 24 LYS HG2 . 17987 1 139 . 1 1 24 24 LYS HG3 H 1 1.319 0.001 . 2 . . . A 24 LYS HG3 . 17987 1 140 . 1 1 24 24 LYS HD2 H 1 1.153 0.001 . 2 . . . A 24 LYS QD . 17987 1 141 . 1 1 24 24 LYS HD3 H 1 1.153 0.001 . 2 . . . A 24 LYS QD . 17987 1 142 . 1 1 24 24 LYS HE2 H 1 2.957 0.000 . 2 . . . A 24 LYS QE . 17987 1 143 . 1 1 24 24 LYS HE3 H 1 2.957 0.000 . 2 . . . A 24 LYS QE . 17987 1 144 . 1 1 25 25 HIS H H 1 8.220 0.000 . 1 . . . . 25 HIS H . 17987 1 145 . 1 1 25 25 HIS HA H 1 4.725 0.002 . 1 . . . . 25 HIS HA . 17987 1 146 . 1 1 25 25 HIS HB2 H 1 2.484 0.001 . 2 . . . . 25 HIS HB2 . 17987 1 147 . 1 1 25 25 HIS HB3 H 1 3.261 0.001 . 2 . . . . 25 HIS HB3 . 17987 1 148 . 1 1 25 25 HIS HD2 H 1 6.128 0.001 . 1 . . . . 25 HIS HD2 . 17987 1 149 . 1 1 25 25 HIS HE1 H 1 7.346 0.001 . 1 . . . . 25 HIS HE1 . 17987 1 150 . 1 1 26 26 CYS H H 1 10.134 0.002 . 1 . . . A 26 CYS H . 17987 1 151 . 1 1 26 26 CYS HA H 1 4.535 0.001 . 1 . . . A 26 CYS HA . 17987 1 152 . 1 1 26 26 CYS HB2 H 1 3.333 0.001 . 2 . . . A 26 CYS HB2 . 17987 1 153 . 1 1 26 26 CYS HB3 H 1 3.423 0.000 . 2 . . . A 26 CYS HB3 . 17987 1 154 . 1 1 27 27 LYS H H 1 7.319 0.001 . 1 . . . A 27 LYS H . 17987 1 155 . 1 1 27 27 LYS HA H 1 4.732 0.001 . 1 . . . A 27 LYS HA . 17987 1 156 . 1 1 27 27 LYS HB2 H 1 1.768 0.003 . 2 . . . A 27 LYS HB2 . 17987 1 157 . 1 1 27 27 LYS HB3 H 1 2.141 0.001 . 2 . . . A 27 LYS HB3 . 17987 1 158 . 1 1 27 27 LYS HG2 H 1 1.477 0.000 . 2 . . . A 27 LYS QG . 17987 1 159 . 1 1 27 27 LYS HG3 H 1 1.477 0.000 . 2 . . . A 27 LYS QG . 17987 1 160 . 1 1 27 27 LYS HD2 H 1 1.568 0.004 . 2 . . . A 27 LYS QD . 17987 1 161 . 1 1 27 27 LYS HD3 H 1 1.568 0.004 . 2 . . . A 27 LYS QD . 17987 1 162 . 1 1 27 27 LYS HE2 H 1 3.078 0.000 . 2 . . . A 27 LYS QE . 17987 1 163 . 1 1 27 27 LYS HE3 H 1 3.078 0.000 . 2 . . . A 27 LYS QE . 17987 1 164 . 1 1 28 28 CYS H H 1 8.569 0.001 . 1 . . . A 28 CYS H . 17987 1 165 . 1 1 28 28 CYS HA H 1 4.840 0.000 . 1 . . . A 28 CYS HA . 17987 1 166 . 1 1 28 28 CYS HB2 H 1 2.558 0.000 . 2 . . . A 28 CYS HB2 . 17987 1 167 . 1 1 28 28 CYS HB3 H 1 3.268 0.008 . 2 . . . A 28 CYS HB3 . 17987 1 168 . 1 1 29 29 ILE H H 1 7.468 0.002 . 1 . . . A 29 ILE H . 17987 1 169 . 1 1 29 29 ILE HA H 1 3.613 0.005 . 1 . . . A 29 ILE HA . 17987 1 170 . 1 1 29 29 ILE HB H 1 1.432 0.001 . 1 . . . A 29 ILE HB . 17987 1 171 . 1 1 29 29 ILE HG12 H 1 0.961 0.003 . . . . . A 29 ILE QG1 . 17987 1 172 . 1 1 29 29 ILE HG13 H 1 0.961 0.003 . . . . . A 29 ILE QG1 . 17987 1 173 . 1 1 29 29 ILE HG21 H 1 0.764 0.002 . . . . . A 29 ILE QG2 . 17987 1 174 . 1 1 29 29 ILE HG22 H 1 0.764 0.002 . . . . . A 29 ILE QG2 . 17987 1 175 . 1 1 29 29 ILE HG23 H 1 0.764 0.002 . . . . . A 29 ILE QG2 . 17987 1 176 . 1 1 29 29 ILE HD11 H 1 0.689 0.001 . . . . . A 29 ILE QD1 . 17987 1 177 . 1 1 29 29 ILE HD12 H 1 0.689 0.001 . . . . . A 29 ILE QD1 . 17987 1 178 . 1 1 29 29 ILE HD13 H 1 0.689 0.001 . . . . . A 29 ILE QD1 . 17987 1 179 . 1 1 30 30 PRO HA H 1 4.305 0.001 . 1 . . . A 30 PRO HA . 17987 1 180 . 1 1 30 30 PRO HB2 H 1 2.190 0.004 . 2 . . . A 30 PRO QB . 17987 1 181 . 1 1 30 30 PRO HB3 H 1 2.190 0.004 . 2 . . . A 30 PRO QB . 17987 1 182 . 1 1 30 30 PRO HG2 H 1 1.822 0.002 . 2 . . . A 30 PRO QG . 17987 1 183 . 1 1 30 30 PRO HG3 H 1 1.822 0.002 . 2 . . . A 30 PRO QG . 17987 1 184 . 1 1 30 30 PRO HD2 H 1 3.380 0.004 . 2 . . . A 30 PRO QD . 17987 1 185 . 1 1 30 30 PRO HD3 H 1 3.380 0.004 . 2 . . . A 30 PRO QD . 17987 1 186 . 1 1 31 31 ARG H H 1 8.099 0.003 . 1 . . . A 31 ARG H . 17987 1 187 . 1 1 31 31 ARG HA H 1 4.236 0.001 . 1 . . . A 31 ARG HA . 17987 1 188 . 1 1 31 31 ARG HB2 H 1 1.848 0.003 . 2 . . . A 31 ARG HB2 . 17987 1 189 . 1 1 31 31 ARG HG2 H 1 1.644 0.001 . 2 . . . A 31 ARG HG2 . 17987 1 190 . 1 1 31 31 ARG HG3 H 1 1.761 0.004 . 2 . . . A 31 ARG HG3 . 17987 1 191 . 1 1 31 31 ARG HD2 H 1 3.207 0.004 . 2 . . . A 31 ARG QD . 17987 1 192 . 1 1 31 31 ARG HD3 H 1 3.207 0.004 . 2 . . . A 31 ARG QD . 17987 1 stop_ save_