################################### # 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5464 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5464 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 1 1 ARG H H 1 8.542 0.001 . . . . . . . . . . 5464 1 2 . 1 1 1 1 ARG HA H 1 4.373 0.002 . . . . . . . . . . 5464 1 3 . 1 1 1 1 ARG HB2 H 1 1.632 0.005 . . . . . . . . . . 5464 1 4 . 1 1 1 1 ARG HG2 H 1 1.750 0.003 . . . . . . . . . . 5464 1 5 . 1 1 1 1 ARG HG3 H 1 1.842 0.008 . . . . . . . . . . 5464 1 6 . 1 1 1 1 ARG HD2 H 1 3.194 0.004 . . . . . . . . . . 5464 1 7 . 1 1 1 1 ARG HE H 1 7.204 0.001 . . . . . . . . . . 5464 1 8 . 1 1 2 2 LEU H H 1 8.292 0.004 . . . . . . . . . . 5464 1 9 . 1 1 2 2 LEU HA H 1 4.591 0.004 . . . . . . . . . . 5464 1 10 . 1 1 2 2 LEU HB2 H 1 1.557 0.010 . . . . . . . . . . 5464 1 11 . 1 1 2 2 LEU HB3 H 1 1.651 0.003 . . . . . . . . . . 5464 1 12 . 1 1 2 2 LEU HG H 1 1.533 0.006 . . . . . . . . . . 5464 1 13 . 1 1 2 2 LEU HD21 H 1 0.901 0.003 . . . . . . . . . . 5464 1 14 . 1 1 2 2 LEU HD22 H 1 0.901 0.003 . . . . . . . . . . 5464 1 15 . 1 1 2 2 LEU HD23 H 1 0.901 0.003 . . . . . . . . . . 5464 1 16 . 1 1 3 3 PRO HA H 1 4.385 0.003 . . . . . . . . . . 5464 1 17 . 1 1 3 3 PRO HB2 H 1 1.800 0.009 . . . . . . . . . . 5464 1 18 . 1 1 3 3 PRO HB3 H 1 2.254 0.004 . . . . . . . . . . 5464 1 19 . 1 1 3 3 PRO HG2 H 1 1.982 0.007 . . . . . . . . . . 5464 1 20 . 1 1 3 3 PRO HD2 H 1 3.627 0.003 . . . . . . . . . . 5464 1 21 . 1 1 3 3 PRO HD3 H 1 3.825 0.003 . . . . . . . . . . 5464 1 22 . 1 1 4 4 LYS H H 1 8.261 0.001 . . . . . . . . . . 5464 1 23 . 1 1 4 4 LYS HA H 1 4.111 0.003 . . . . . . . . . . 5464 1 24 . 1 1 4 4 LYS HB2 H 1 1.599 0.003 . . . . . . . . . . 5464 1 25 . 1 1 4 4 LYS HG2 H 1 1.179 0.004 . . . . . . . . . . 5464 1 26 . 1 1 4 4 LYS HG3 H 1 1.260 0.007 . . . . . . . . . . 5464 1 27 . 1 1 4 4 LYS HD2 H 1 1.576 0.005 . . . . . . . . . . 5464 1 28 . 1 1 4 4 LYS HE2 H 1 2.887 0.002 . . . . . . . . . . 5464 1 29 . 1 1 5 5 LEU H H 1 7.626 0.003 . . . . . . . . . . 5464 1 30 . 1 1 5 5 LEU HA H 1 4.476 0.002 . . . . . . . . . . 5464 1 31 . 1 1 5 5 LEU HB2 H 1 1.233 0.003 . . . . . . . . . . 5464 1 32 . 1 1 5 5 LEU HB3 H 1 1.321 0.003 . . . . . . . . . . 5464 1 33 . 1 1 5 5 LEU HG H 1 1.389 0.009 . . . . . . . . . . 5464 1 34 . 1 1 5 5 LEU HD11 H 1 0.635 0.003 . . . . . . . . . . 5464 1 35 . 1 1 5 5 LEU HD12 H 1 0.635 0.003 . . . . . . . . . . 5464 1 36 . 1 1 5 5 LEU HD13 H 1 0.635 0.003 . . . . . . . . . . 5464 1 37 . 1 1 5 5 LEU HD21 H 1 0.711 0.004 . . . . . . . . . . 5464 1 38 . 1 1 5 5 LEU HD22 H 1 0.711 0.004 . . . . . . . . . . 5464 1 39 . 1 1 5 5 LEU HD23 H 1 0.711 0.004 . . . . . . . . . . 5464 1 40 . 1 1 6 6 TYR H H 1 8.559 0.003 . . . . . . . . . . 5464 1 41 . 1 1 6 6 TYR HA H 1 4.549 0.002 . . . . . . . . . . 5464 1 42 . 1 1 6 6 TYR HB2 H 1 2.713 0.006 . . . . . . . . . . 5464 1 43 . 1 1 6 6 TYR HB3 H 1 2.825 0.003 . . . . . . . . . . 5464 1 44 . 1 1 6 6 TYR HD1 H 1 6.952 0.007 . . . . . . . . . . 5464 1 45 . 1 1 6 6 TYR HE1 H 1 6.782 0.003 . . . . . . . . . . 5464 1 46 . 1 1 7 7 LEU H H 1 8.313 0.003 . . . . . . . . . . 5464 1 47 . 1 1 7 7 LEU HA H 1 4.023 0.003 . . . . . . . . . . 5464 1 48 . 1 1 7 7 LEU HB2 H 1 1.091 0.004 . . . . . . . . . . 5464 1 49 . 1 1 7 7 LEU HB3 H 1 1.561 0.005 . . . . . . . . . . 5464 1 50 . 1 1 7 7 LEU HG H 1 0.875 0.005 . . . . . . . . . . 5464 1 51 . 1 1 7 7 LEU HD11 H 1 -0.136 0.004 . . . . . . . . . . 5464 1 52 . 1 1 7 7 LEU HD12 H 1 -0.136 0.004 . . . . . . . . . . 5464 1 53 . 1 1 7 7 LEU HD13 H 1 -0.136 0.004 . . . . . . . . . . 5464 1 54 . 1 1 7 7 LEU HD21 H 1 0.623 0.007 . . . . . . . . . . 5464 1 55 . 1 1 7 7 LEU HD22 H 1 0.623 0.007 . . . . . . . . . . 5464 1 56 . 1 1 7 7 LEU HD23 H 1 0.623 0.007 . . . . . . . . . . 5464 1 57 . 1 1 8 8 CYS H H 1 8.509 0.002 . . . . . . . . . . 5464 1 58 . 1 1 8 8 CYS HA H 1 4.539 0.005 . . . . . . . . . . 5464 1 59 . 1 1 8 8 CYS HB2 H 1 2.430 0.005 . . . . . . . . . . 5464 1 60 . 1 1 8 8 CYS HB3 H 1 3.306 0.005 . . . . . . . . . . 5464 1 61 . 1 1 9 9 GLU H H 1 8.404 0.004 . . . . . . . . . . 5464 1 62 . 1 1 9 9 GLU HA H 1 3.908 0.004 . . . . . . . . . . 5464 1 63 . 1 1 9 9 GLU HB2 H 1 1.679 0.005 . . . . . . . . . . 5464 1 64 . 1 1 9 9 GLU HB3 H 1 1.774 0.004 . . . . . . . . . . 5464 1 65 . 1 1 9 9 GLU HG2 H 1 1.842 0.007 . . . . . . . . . . 5464 1 66 . 1 1 9 9 GLU HG3 H 1 1.914 0.001 . . . . . . . . . . 5464 1 67 . 1 1 10 10 PHE H H 1 9.024 0.001 . . . . . . . . . . 5464 1 68 . 1 1 10 10 PHE HA H 1 4.549 0.004 . . . . . . . . . . 5464 1 69 . 1 1 10 10 PHE HB2 H 1 3.042 0.003 . . . . . . . . . . 5464 1 70 . 1 1 10 10 PHE HB3 H 1 3.484 0.004 . . . . . . . . . . 5464 1 71 . 1 1 10 10 PHE HD1 H 1 7.069 0.003 . . . . . . . . . . 5464 1 72 . 1 1 10 10 PHE HE1 H 1 7.208 0.005 . . . . . . . . . . 5464 1 73 . 1 1 11 11 CYS H H 1 8.196 0.002 . . . . . . . . . . 5464 1 74 . 1 1 11 11 CYS HA H 1 4.871 0.002 . . . . . . . . . . 5464 1 75 . 1 1 11 11 CYS HB2 H 1 2.668 0.003 . . . . . . . . . . 5464 1 76 . 1 1 11 11 CYS HB3 H 1 3.208 0.003 . . . . . . . . . . 5464 1 77 . 1 1 12 12 LEU H H 1 8.061 0.002 . . . . . . . . . . 5464 1 78 . 1 1 12 12 LEU HA H 1 3.971 0.003 . . . . . . . . . . 5464 1 79 . 1 1 12 12 LEU HB2 H 1 1.561 0.006 . . . . . . . . . . 5464 1 80 . 1 1 12 12 LEU HB3 H 1 2.016 0.004 . . . . . . . . . . 5464 1 81 . 1 1 12 12 LEU HG H 1 1.342 0.007 . . . . . . . . . . 5464 1 82 . 1 1 12 12 LEU HD11 H 1 0.768 0.003 . . . . . . . . . . 5464 1 83 . 1 1 12 12 LEU HD12 H 1 0.768 0.003 . . . . . . . . . . 5464 1 84 . 1 1 12 12 LEU HD13 H 1 0.768 0.003 . . . . . . . . . . 5464 1 85 . 1 1 12 12 LEU HD21 H 1 0.854 0.004 . . . . . . . . . . 5464 1 86 . 1 1 12 12 LEU HD22 H 1 0.854 0.004 . . . . . . . . . . 5464 1 87 . 1 1 12 12 LEU HD23 H 1 0.854 0.004 . . . . . . . . . . 5464 1 88 . 1 1 13 13 LYS H H 1 7.621 0.003 . . . . . . . . . . 5464 1 89 . 1 1 13 13 LYS HA H 1 4.473 0.005 . . . . . . . . . . 5464 1 90 . 1 1 13 13 LYS HB2 H 1 1.561 0.003 . . . . . . . . . . 5464 1 91 . 1 1 13 13 LYS HB3 H 1 1.692 0.003 . . . . . . . . . . 5464 1 92 . 1 1 13 13 LYS HG2 H 1 1.396 0.003 . . . . . . . . . . 5464 1 93 . 1 1 13 13 LYS HD2 H 1 1.631 0.004 . . . . . . . . . . 5464 1 94 . 1 1 14 14 TYR H H 1 8.418 0.002 . . . . . . . . . . 5464 1 95 . 1 1 14 14 TYR HA H 1 4.843 0.004 . . . . . . . . . . 5464 1 96 . 1 1 14 14 TYR HB2 H 1 2.790 0.008 . . . . . . . . . . 5464 1 97 . 1 1 14 14 TYR HB3 H 1 2.846 0.009 . . . . . . . . . . 5464 1 98 . 1 1 14 14 TYR HD1 H 1 6.970 0.004 . . . . . . . . . . 5464 1 99 . 1 1 14 14 TYR HE1 H 1 6.735 0.003 . . . . . . . . . . 5464 1 100 . 1 1 15 15 MET H H 1 9.202 0.001 . . . . . . . . . . 5464 1 101 . 1 1 15 15 MET HA H 1 5.104 0.001 . . . . . . . . . . 5464 1 102 . 1 1 15 15 MET HB2 H 1 1.895 0.007 . . . . . . . . . . 5464 1 103 . 1 1 15 15 MET HB3 H 1 2.038 0.004 . . . . . . . . . . 5464 1 104 . 1 1 15 15 MET HG2 H 1 2.200 0.005 . . . . . . . . . . 5464 1 105 . 1 1 15 15 MET HG3 H 1 2.606 0.004 . . . . . . . . . . 5464 1 106 . 1 1 16 16 LYS H H 1 8.625 0.003 . . . . . . . . . . 5464 1 107 . 1 1 16 16 LYS HA H 1 4.300 0.002 . . . . . . . . . . 5464 1 108 . 1 1 16 16 LYS HB2 H 1 1.856 0.005 . . . . . . . . . . 5464 1 109 . 1 1 16 16 LYS HB3 H 1 1.947 0.002 . . . . . . . . . . 5464 1 110 . 1 1 16 16 LYS HG2 H 1 1.496 0.003 . . . . . . . . . . 5464 1 111 . 1 1 16 16 LYS HG3 H 1 1.558 0.003 . . . . . . . . . . 5464 1 112 . 1 1 16 16 LYS HD2 H 1 1.704 0.003 . . . . . . . . . . 5464 1 113 . 1 1 16 16 LYS HE2 H 1 3.027 0.002 . . . . . . . . . . 5464 1 114 . 1 1 17 17 SER H H 1 7.243 0.003 . . . . . . . . . . 5464 1 115 . 1 1 17 17 SER HA H 1 4.553 0.002 . . . . . . . . . . 5464 1 116 . 1 1 17 17 SER HB2 H 1 3.842 0.004 . . . . . . . . . . 5464 1 117 . 1 1 17 17 SER HB3 H 1 4.179 0.003 . . . . . . . . . . 5464 1 118 . 1 1 18 18 ARG H H 1 8.517 0.001 . . . . . . . . . . 5464 1 119 . 1 1 18 18 ARG HA H 1 3.355 0.005 . . . . . . . . . . 5464 1 120 . 1 1 18 18 ARG HB2 H 1 1.545 0.008 . . . . . . . . . . 5464 1 121 . 1 1 18 18 ARG HB3 H 1 1.654 0.007 . . . . . . . . . . 5464 1 122 . 1 1 18 18 ARG HG2 H 1 1.400 0.003 . . . . . . . . . . 5464 1 123 . 1 1 18 18 ARG HD2 H 1 3.146 0.007 . . . . . . . . . . 5464 1 124 . 1 1 18 18 ARG HE H 1 7.268 0.001 . . . . . . . . . . 5464 1 125 . 1 1 19 19 THR H H 1 7.995 0.001 . . . . . . . . . . 5464 1 126 . 1 1 19 19 THR HA H 1 3.985 0.001 . . . . . . . . . . 5464 1 127 . 1 1 19 19 THR HG21 H 1 1.223 0.005 . . . . . . . . . . 5464 1 128 . 1 1 19 19 THR HG22 H 1 1.223 0.005 . . . . . . . . . . 5464 1 129 . 1 1 19 19 THR HG23 H 1 1.223 0.005 . . . . . . . . . . 5464 1 130 . 1 1 19 19 THR HB H 1 4.013 0.009 . . . . . . . . . . 5464 1 131 . 1 1 20 20 ILE H H 1 7.571 0.002 . . . . . . . . . . 5464 1 132 . 1 1 20 20 ILE HA H 1 3.796 0.002 . . . . . . . . . . 5464 1 133 . 1 1 20 20 ILE HB H 1 1.691 0.004 . . . . . . . . . . 5464 1 134 . 1 1 20 20 ILE HG21 H 1 1.070 0.004 . . . . . . . . . . 5464 1 135 . 1 1 20 20 ILE HG22 H 1 1.070 0.004 . . . . . . . . . . 5464 1 136 . 1 1 20 20 ILE HG23 H 1 1.070 0.004 . . . . . . . . . . 5464 1 137 . 1 1 20 20 ILE HG12 H 1 1.158 0.003 . . . . . . . . . . 5464 1 138 . 1 1 20 20 ILE HG13 H 1 1.512 0.007 . . . . . . . . . . 5464 1 139 . 1 1 20 20 ILE HD11 H 1 0.902 0.004 . . . . . . . . . . 5464 1 140 . 1 1 20 20 ILE HD12 H 1 0.902 0.004 . . . . . . . . . . 5464 1 141 . 1 1 20 20 ILE HD13 H 1 0.902 0.004 . . . . . . . . . . 5464 1 142 . 1 1 21 21 LEU H H 1 8.004 0.003 . . . . . . . . . . 5464 1 143 . 1 1 21 21 LEU HA H 1 4.178 0.002 . . . . . . . . . . 5464 1 144 . 1 1 21 21 LEU HB2 H 1 1.345 0.004 . . . . . . . . . . 5464 1 145 . 1 1 21 21 LEU HB3 H 1 2.130 0.003 . . . . . . . . . . 5464 1 146 . 1 1 21 21 LEU HG H 1 1.682 0.008 . . . . . . . . . . 5464 1 147 . 1 1 21 21 LEU HD21 H 1 1.013 0.004 . . . . . . . . . . 5464 1 148 . 1 1 21 21 LEU HD22 H 1 1.013 0.004 . . . . . . . . . . 5464 1 149 . 1 1 21 21 LEU HD23 H 1 1.013 0.004 . . . . . . . . . . 5464 1 150 . 1 1 21 21 LEU HD11 H 1 0.986 0.005 . . . . . . . . . . 5464 1 151 . 1 1 21 21 LEU HD12 H 1 0.986 0.005 . . . . . . . . . . 5464 1 152 . 1 1 21 21 LEU HD13 H 1 0.986 0.005 . . . . . . . . . . 5464 1 153 . 1 1 22 22 GLN H H 1 8.379 0.002 . . . . . . . . . . 5464 1 154 . 1 1 22 22 GLN HA H 1 4.015 0.002 . . . . . . . . . . 5464 1 155 . 1 1 22 22 GLN HB2 H 1 2.140 0.005 . . . . . . . . . . 5464 1 156 . 1 1 22 22 GLN HB3 H 1 2.256 0.002 . . . . . . . . . . 5464 1 157 . 1 1 22 22 GLN HG2 H 1 2.371 0.003 . . . . . . . . . . 5464 1 158 . 1 1 22 22 GLN HG3 H 1 2.540 0.006 . . . . . . . . . . 5464 1 159 . 1 1 22 22 GLN HE21 H 1 7.374 0.005 . . . . . . . . . . 5464 1 160 . 1 1 22 22 GLN HE22 H 1 6.849 0.003 . . . . . . . . . . 5464 1 161 . 1 1 23 23 GLN H H 1 7.742 0.002 . . . . . . . . . . 5464 1 162 . 1 1 23 23 GLN HA H 1 4.060 0.001 . . . . . . . . . . 5464 1 163 . 1 1 23 23 GLN HB2 H 1 2.161 0.005 . . . . . . . . . . 5464 1 164 . 1 1 23 23 GLN HB3 H 1 2.219 0.004 . . . . . . . . . . 5464 1 165 . 1 1 23 23 GLN HG2 H 1 2.474 0.003 . . . . . . . . . . 5464 1 166 . 1 1 23 23 GLN HG3 H 1 2.578 0.003 . . . . . . . . . . 5464 1 167 . 1 1 23 23 GLN HE21 H 1 7.422 0.003 . . . . . . . . . . 5464 1 168 . 1 1 23 23 GLN HE22 H 1 6.851 0.003 . . . . . . . . . . 5464 1 169 . 1 1 24 24 HIS H H 1 8.856 0.002 . . . . . . . . . . 5464 1 170 . 1 1 24 24 HIS HA H 1 4.265 0.005 . . . . . . . . . . 5464 1 171 . 1 1 24 24 HIS HB2 H 1 3.376 0.004 . . . . . . . . . . 5464 1 172 . 1 1 24 24 HIS HB3 H 1 3.711 0.004 . . . . . . . . . . 5464 1 173 . 1 1 24 24 HIS HD2 H 1 7.166 0.003 . . . . . . . . . . 5464 1 174 . 1 1 24 24 HIS HE1 H 1 7.993 0.001 . . . . . . . . . . 5464 1 175 . 1 1 25 25 MET H H 1 8.843 0.002 . . . . . . . . . . 5464 1 176 . 1 1 25 25 MET HA H 1 4.036 0.003 . . . . . . . . . . 5464 1 177 . 1 1 25 25 MET HB2 H 1 2.245 0.006 . . . . . . . . . . 5464 1 178 . 1 1 25 25 MET HB3 H 1 2.406 0.007 . . . . . . . . . . 5464 1 179 . 1 1 25 25 MET HG2 H 1 3.084 0.004 . . . . . . . . . . 5464 1 180 . 1 1 25 25 MET HG3 H 1 3.204 0.002 . . . . . . . . . . 5464 1 181 . 1 1 26 26 LYS H H 1 7.206 0.003 . . . . . . . . . . 5464 1 182 . 1 1 26 26 LYS HA H 1 4.086 0.004 . . . . . . . . . . 5464 1 183 . 1 1 26 26 LYS HB2 H 1 1.892 0.003 . . . . . . . . . . 5464 1 184 . 1 1 26 26 LYS HG2 H 1 1.505 0.003 . . . . . . . . . . 5464 1 185 . 1 1 26 26 LYS HD2 H 1 1.689 0.006 . . . . . . . . . . 5464 1 186 . 1 1 26 26 LYS HE2 H 1 2.962 0.003 . . . . . . . . . . 5464 1 187 . 1 1 27 27 LYS H H 1 7.161 0.002 . . . . . . . . . . 5464 1 188 . 1 1 27 27 LYS HA H 1 4.398 0.002 . . . . . . . . . . 5464 1 189 . 1 1 27 27 LYS HB2 H 1 1.609 0.004 . . . . . . . . . . 5464 1 190 . 1 1 27 27 LYS HG2 H 1 1.266 0.011 . . . . . . . . . . 5464 1 191 . 1 1 27 27 LYS HG3 H 1 1.364 0.004 . . . . . . . . . . 5464 1 192 . 1 1 27 27 LYS HD2 H 1 1.874 0.003 . . . . . . . . . . 5464 1 193 . 1 1 27 27 LYS HE2 H 1 2.933 0.003 . . . . . . . . . . 5464 1 194 . 1 1 28 28 CYS H H 1 7.368 0.002 . . . . . . . . . . 5464 1 195 . 1 1 28 28 CYS HA H 1 4.008 0.003 . . . . . . . . . . 5464 1 196 . 1 1 28 28 CYS HB2 H 1 1.984 0.003 . . . . . . . . . . 5464 1 197 . 1 1 28 28 CYS HB3 H 1 2.519 0.004 . . . . . . . . . . 5464 1 198 . 1 1 29 29 GLY H H 1 7.930 0.001 . . . . . . . . . . 5464 1 199 . 1 1 29 29 GLY HA2 H 1 2.967 0.004 . . . . . . . . . . 5464 1 200 . 1 1 29 29 GLY HA3 H 1 3.119 0.004 . . . . . . . . . . 5464 1 201 . 1 1 30 30 TRP H H 1 7.354 0.006 . . . . . . . . . . 5464 1 202 . 1 1 30 30 TRP HA H 1 4.504 0.003 . . . . . . . . . . 5464 1 203 . 1 1 30 30 TRP HB2 H 1 3.039 0.005 . . . . . . . . . . 5464 1 204 . 1 1 30 30 TRP HB3 H 1 3.158 0.009 . . . . . . . . . . 5464 1 205 . 1 1 30 30 TRP HD1 H 1 7.059 0.006 . . . . . . . . . . 5464 1 206 . 1 1 30 30 TRP HE3 H 1 7.600 0.003 . . . . . . . . . . 5464 1 207 . 1 1 30 30 TRP HE1 H 1 10.015 0.001 . . . . . . . . . . 5464 1 208 . 1 1 30 30 TRP HZ3 H 1 7.153 0.002 . . . . . . . . . . 5464 1 209 . 1 1 30 30 TRP HZ2 H 1 7.488 0.003 . . . . . . . . . . 5464 1 210 . 1 1 30 30 TRP HH2 H 1 7.223 0.010 . . . . . . . . . . 5464 1 211 . 1 1 31 31 PHE H H 1 7.472 0.001 . . . . . . . . . . 5464 1 212 . 1 1 31 31 PHE HA H 1 4.373 0.001 . . . . . . . . . . 5464 1 213 . 1 1 31 31 PHE HB2 H 1 2.886 0.004 . . . . . . . . . . 5464 1 214 . 1 1 31 31 PHE HB3 H 1 3.079 0.002 . . . . . . . . . . 5464 1 215 . 1 1 31 31 PHE HD1 H 1 7.123 0.004 . . . . . . . . . . 5464 1 216 . 1 1 31 31 PHE HE1 H 1 7.255 0.000 . . . . . . . . . . 5464 1 stop_ save_