################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6389 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 '1H COSY' 1 $sample_1 . 6389 1 2 '1H TOCSY' 1 $sample_1 . 6389 1 3 '1H NOESY' 1 $sample_1 . 6389 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 TRP HA H 1 4.193 0.000 . . . . . . . . . . . 6389 1 2 . 1 1 1 1 TRP HB2 H 1 3.220 0.000 . . . . . . . . . . . 6389 1 3 . 1 1 1 1 TRP HD1 H 1 7.155 0.004 . . . . . . . . . . . 6389 1 4 . 1 1 1 1 TRP HE1 H 1 10.135 0.000 . . . . . . . . . . . 6389 1 5 . 1 1 2 2 CYS H H 1 8.230 0.051 . . . . . . . . . . . 6389 1 6 . 1 1 2 2 CYS HA H 1 4.377 0.000 . . . . . . . . . . . 6389 1 7 . 1 1 2 2 CYS HB2 H 1 2.975 0.000 . . . . . . . . . . . 6389 1 8 . 1 1 2 2 CYS HB3 H 1 3.234 0.000 . . . . . . . . . . . 6389 1 9 . 1 1 3 3 SER H H 1 8.692 0.000 . . . . . . . . . . . 6389 1 10 . 1 1 3 3 SER HA H 1 3.937 0.001 . . . . . . . . . . . 6389 1 11 . 1 1 3 3 SER HB2 H 1 3.613 0.002 . . . . . . . . . . . 6389 1 12 . 1 1 3 3 SER HB3 H 1 3.800 0.001 . . . . . . . . . . . 6389 1 13 . 1 1 4 4 THR H H 1 7.454 0.000 . . . . . . . . . . . 6389 1 14 . 1 1 4 4 THR HA H 1 4.342 0.001 . . . . . . . . . . . 6389 1 15 . 1 1 4 4 THR HB H 1 4.344 0.000 . . . . . . . . . . . 6389 1 16 . 1 1 4 4 THR HG21 H 1 0.993 0.000 . . . . . . . . . . . 6389 1 17 . 1 1 4 4 THR HG22 H 1 0.993 0.000 . . . . . . . . . . . 6389 1 18 . 1 1 4 4 THR HG23 H 1 0.993 0.000 . . . . . . . . . . . 6389 1 19 . 1 1 5 5 CYS H H 1 7.379 0.002 . . . . . . . . . . . 6389 1 20 . 1 1 5 5 CYS HA H 1 4.494 0.002 . . . . . . . . . . . 6389 1 21 . 1 1 5 5 CYS HB2 H 1 3.056 0.000 . . . . . . . . . . . 6389 1 22 . 1 1 6 6 LEU H H 1 8.021 0.261 . . . . . . . . . . . 6389 1 23 . 1 1 6 6 LEU HA H 1 4.162 0.000 . . . . . . . . . . . 6389 1 24 . 1 1 6 6 LEU HB2 H 1 1.398 0.000 . . . . . . . . . . . 6389 1 25 . 1 1 6 6 LEU HD11 H 1 0.687 0.000 . . . . . . . . . . . 6389 1 26 . 1 1 6 6 LEU HD12 H 1 0.687 0.000 . . . . . . . . . . . 6389 1 27 . 1 1 6 6 LEU HD13 H 1 0.687 0.000 . . . . . . . . . . . 6389 1 28 . 1 1 6 6 LEU HD21 H 1 1.293 0.000 . . . . . . . . . . . 6389 1 29 . 1 1 6 6 LEU HD22 H 1 1.293 0.000 . . . . . . . . . . . 6389 1 30 . 1 1 6 6 LEU HD23 H 1 1.293 0.000 . . . . . . . . . . . 6389 1 31 . 1 1 7 7 ASP H H 1 8.354 0.000 . . . . . . . . . . . 6389 1 32 . 1 1 7 7 ASP HA H 1 4.472 0.000 . . . . . . . . . . . 6389 1 33 . 1 1 7 7 ASP HB2 H 1 2.517 0.000 . . . . . . . . . . . 6389 1 34 . 1 1 7 7 ASP HB3 H 1 2.714 0.000 . . . . . . . . . . . 6389 1 35 . 1 1 8 8 LEU H H 1 8.041 0.000 . . . . . . . . . . . 6389 1 36 . 1 1 8 8 LEU HA H 1 4.252 0.002 . . . . . . . . . . . 6389 1 37 . 1 1 8 8 LEU HB2 H 1 1.313 0.000 . . . . . . . . . . . 6389 1 38 . 1 1 8 8 LEU HD11 H 1 0.712 0.000 . . . . . . . . . . . 6389 1 39 . 1 1 8 8 LEU HD12 H 1 0.712 0.000 . . . . . . . . . . . 6389 1 40 . 1 1 8 8 LEU HD13 H 1 0.712 0.000 . . . . . . . . . . . 6389 1 41 . 1 1 8 8 LEU HD21 H 1 1.410 0.000 . . . . . . . . . . . 6389 1 42 . 1 1 8 8 LEU HD22 H 1 1.410 0.000 . . . . . . . . . . . 6389 1 43 . 1 1 8 8 LEU HD23 H 1 1.410 0.000 . . . . . . . . . . . 6389 1 44 . 1 1 9 9 ALA H H 1 8.025 0.001 . . . . . . . . . . . 6389 1 45 . 1 1 9 9 ALA HA H 1 4.641 0.002 . . . . . . . . . . . 6389 1 46 . 1 1 9 9 ALA HB1 H 1 1.251 0.001 . . . . . . . . . . . 6389 1 47 . 1 1 9 9 ALA HB2 H 1 1.251 0.001 . . . . . . . . . . . 6389 1 48 . 1 1 9 9 ALA HB3 H 1 1.251 0.001 . . . . . . . . . . . 6389 1 49 . 1 1 10 10 CYS H H 1 7.710 0.002 . . . . . . . . . . . 6389 1 50 . 1 1 10 10 CYS HA H 1 4.705 0.001 . . . . . . . . . . . 6389 1 51 . 1 1 10 10 CYS HB2 H 1 2.826 0.002 . . . . . . . . . . . 6389 1 52 . 1 1 10 10 CYS HB3 H 1 3.138 0.002 . . . . . . . . . . . 6389 1 53 . 1 1 11 11 THR H H 1 9.004 0.002 . . . . . . . . . . . 6389 1 54 . 1 1 11 11 THR HA H 1 4.275 0.001 . . . . . . . . . . . 6389 1 55 . 1 1 11 11 THR HB H 1 4.086 0.001 . . . . . . . . . . . 6389 1 56 . 1 1 11 11 THR HG21 H 1 1.033 0.002 . . . . . . . . . . . 6389 1 57 . 1 1 11 11 THR HG22 H 1 1.033 0.002 . . . . . . . . . . . 6389 1 58 . 1 1 11 11 THR HG23 H 1 1.033 0.002 . . . . . . . . . . . 6389 1 59 . 1 1 12 12 GLY H H 1 7.716 0.000 . . . . . . . . . . . 6389 1 60 . 1 1 12 12 GLY HA2 H 1 3.791 0.002 . . . . . . . . . . . 6389 1 61 . 1 1 12 12 GLY HA3 H 1 4.309 0.002 . . . . . . . . . . . 6389 1 62 . 1 1 13 13 SER H H 1 8.975 0.000 . . . . . . . . . . . 6389 1 63 . 1 1 13 13 SER HA H 1 3.594 0.084 . . . . . . . . . . . 6389 1 64 . 1 1 13 13 SER HB2 H 1 3.761 0.000 . . . . . . . . . . . 6389 1 65 . 1 1 14 14 LYS H H 1 7.684 1.837 . . . . . . . . . . . 6389 1 66 . 1 1 14 14 LYS HA H 1 2.827 0.004 . . . . . . . . . . . 6389 1 67 . 1 1 14 14 LYS HB2 H 1 1.498 0.001 . . . . . . . . . . . 6389 1 68 . 1 1 14 14 LYS HB3 H 1 1.580 0.002 . . . . . . . . . . . 6389 1 69 . 1 1 14 14 LYS HG2 H 1 1.159 0.002 . . . . . . . . . . . 6389 1 70 . 1 1 15 15 ASP H H 1 7.232 0.001 . . . . . . . . . . . 6389 1 71 . 1 1 15 15 ASP HA H 1 4.191 0.000 . . . . . . . . . . . 6389 1 72 . 1 1 15 15 ASP HB2 H 1 2.656 0.002 . . . . . . . . . . . 6389 1 73 . 1 1 15 15 ASP HB3 H 1 2.789 0.002 . . . . . . . . . . . 6389 1 74 . 1 1 16 16 CYS H H 1 7.661 0.001 . . . . . . . . . . . 6389 1 75 . 1 1 16 16 CYS HA H 1 4.393 0.000 . . . . . . . . . . . 6389 1 76 . 1 1 16 16 CYS HB2 H 1 2.530 0.000 . . . . . . . . . . . 6389 1 77 . 1 1 16 16 CYS HB3 H 1 2.850 0.000 . . . . . . . . . . . 6389 1 78 . 1 1 17 17 TYR H H 1 6.730 0.000 . . . . . . . . . . . 6389 1 79 . 1 1 17 17 TYR HA H 1 4.817 0.000 . . . . . . . . . . . 6389 1 80 . 1 1 17 17 TYR HB2 H 1 2.874 0.000 . . . . . . . . . . . 6389 1 81 . 1 1 17 17 TYR HB3 H 1 3.068 0.001 . . . . . . . . . . . 6389 1 82 . 1 1 17 17 TYR HD1 H 1 7.082 0.000 . . . . . . . . . . . 6389 1 83 . 1 1 17 17 TYR HE1 H 1 6.683 0.000 . . . . . . . . . . . 6389 1 84 . 1 1 18 18 ALA H H 1 8.980 0.001 . . . . . . . . . . . 6389 1 85 . 1 1 18 18 ALA HA H 1 4.247 0.000 . . . . . . . . . . . 6389 1 86 . 1 1 18 18 ALA HB1 H 1 1.336 0.003 . . . . . . . . . . . 6389 1 87 . 1 1 18 18 ALA HB2 H 1 1.336 0.003 . . . . . . . . . . . 6389 1 88 . 1 1 18 18 ALA HB3 H 1 1.336 0.003 . . . . . . . . . . . 6389 1 89 . 1 1 19 19 PRO HA H 1 4.212 0.000 . . . . . . . . . . . 6389 1 90 . 1 1 19 19 PRO HB2 H 1 1.610 0.000 . . . . . . . . . . . 6389 1 91 . 1 1 19 19 PRO HB3 H 1 2.127 0.000 . . . . . . . . . . . 6389 1 92 . 1 1 19 19 PRO HG2 H 1 1.977 0.000 . . . . . . . . . . . 6389 1 93 . 1 1 19 19 PRO HG3 H 1 2.101 0.000 . . . . . . . . . . . 6389 1 94 . 1 1 19 19 PRO HD2 H 1 3.507 0.001 . . . . . . . . . . . 6389 1 95 . 1 1 20 20 CYS H H 1 8.116 0.001 . . . . . . . . . . . 6389 1 96 . 1 1 20 20 CYS HA H 1 4.493 0.000 . . . . . . . . . . . 6389 1 97 . 1 1 20 20 CYS HB2 H 1 2.884 0.000 . . . . . . . . . . . 6389 1 98 . 1 1 20 20 CYS HB3 H 1 3.338 0.000 . . . . . . . . . . . 6389 1 99 . 1 1 21 21 ARG H H 1 8.646 0.000 . . . . . . . . . . . 6389 1 100 . 1 1 21 21 ARG HA H 1 3.428 0.002 . . . . . . . . . . . 6389 1 101 . 1 1 21 21 ARG HB2 H 1 1.387 0.001 . . . . . . . . . . . 6389 1 102 . 1 1 21 21 ARG HB3 H 1 1.795 0.000 . . . . . . . . . . . 6389 1 103 . 1 1 21 21 ARG HG2 H 1 1.034 0.000 . . . . . . . . . . . 6389 1 104 . 1 1 21 21 ARG HG3 H 1 1.247 0.000 . . . . . . . . . . . 6389 1 105 . 1 1 21 21 ARG HD2 H 1 2.990 0.000 . . . . . . . . . . . 6389 1 106 . 1 1 21 21 ARG HE H 1 7.211 0.000 . . . . . . . . . . . 6389 1 107 . 1 1 22 22 LYS H H 1 7.841 0.044 . . . . . . . . . . . 6389 1 108 . 1 1 22 22 LYS HA H 1 3.849 0.000 . . . . . . . . . . . 6389 1 109 . 1 1 22 22 LYS HB2 H 1 1.748 0.003 . . . . . . . . . . . 6389 1 110 . 1 1 22 22 LYS HB3 H 1 1.850 0.001 . . . . . . . . . . . 6389 1 111 . 1 1 23 23 GLN H H 1 7.747 0.040 . . . . . . . . . . . 6389 1 112 . 1 1 23 23 GLN HA H 1 4.046 0.000 . . . . . . . . . . . 6389 1 113 . 1 1 23 23 GLN HB2 H 1 2.044 0.000 . . . . . . . . . . . 6389 1 114 . 1 1 23 23 GLN HG2 H 1 2.195 0.005 . . . . . . . . . . . 6389 1 115 . 1 1 23 23 GLN HG3 H 1 2.310 0.000 . . . . . . . . . . . 6389 1 116 . 1 1 24 24 THR H H 1 8.189 0.035 . . . . . . . . . . . 6389 1 117 . 1 1 24 24 THR HA H 1 4.580 0.000 . . . . . . . . . . . 6389 1 118 . 1 1 24 24 THR HB H 1 4.229 0.000 . . . . . . . . . . . 6389 1 119 . 1 1 24 24 THR HG21 H 1 0.988 0.000 . . . . . . . . . . . 6389 1 120 . 1 1 24 24 THR HG22 H 1 0.988 0.000 . . . . . . . . . . . 6389 1 121 . 1 1 24 24 THR HG23 H 1 0.988 0.000 . . . . . . . . . . . 6389 1 122 . 1 1 25 25 GLY H H 1 8.089 0.001 . . . . . . . . . . . 6389 1 123 . 1 1 25 25 GLY HA2 H 1 3.601 0.002 . . . . . . . . . . . 6389 1 124 . 1 1 25 25 GLY HA3 H 1 4.560 0.001 . . . . . . . . . . . 6389 1 125 . 1 1 26 26 CYS H H 1 8.149 0.001 . . . . . . . . . . . 6389 1 126 . 1 1 26 26 CYS HA H 1 4.916 0.001 . . . . . . . . . . . 6389 1 127 . 1 1 26 26 CYS HB2 H 1 1.941 0.001 . . . . . . . . . . . 6389 1 128 . 1 1 26 26 CYS HB3 H 1 3.570 0.000 . . . . . . . . . . . 6389 1 129 . 1 1 27 27 PRO HA H 1 4.381 0.003 . . . . . . . . . . . 6389 1 130 . 1 1 27 27 PRO HB2 H 1 1.757 0.001 . . . . . . . . . . . 6389 1 131 . 1 1 27 27 PRO HG2 H 1 1.596 0.001 . . . . . . . . . . . 6389 1 132 . 1 1 27 27 PRO HD2 H 1 3.180 0.000 . . . . . . . . . . . 6389 1 133 . 1 1 27 27 PRO HD3 H 1 3.628 0.001 . . . . . . . . . . . 6389 1 134 . 1 1 28 28 ASN H H 1 7.071 0.001 . . . . . . . . . . . 6389 1 135 . 1 1 28 28 ASN HA H 1 4.179 0.002 . . . . . . . . . . . 6389 1 136 . 1 1 28 28 ASN HB2 H 1 2.622 0.000 . . . . . . . . . . . 6389 1 137 . 1 1 28 28 ASN HB3 H 1 2.673 0.000 . . . . . . . . . . . 6389 1 138 . 1 1 29 29 ALA H H 1 8.105 0.001 . . . . . . . . . . . 6389 1 139 . 1 1 29 29 ALA HA H 1 5.234 0.002 . . . . . . . . . . . 6389 1 140 . 1 1 29 29 ALA HB1 H 1 1.311 0.000 . . . . . . . . . . . 6389 1 141 . 1 1 29 29 ALA HB2 H 1 1.311 0.000 . . . . . . . . . . . 6389 1 142 . 1 1 29 29 ALA HB3 H 1 1.311 0.000 . . . . . . . . . . . 6389 1 143 . 1 1 30 30 LYS H H 1 8.223 0.001 . . . . . . . . . . . 6389 1 144 . 1 1 30 30 LYS HA H 1 4.526 0.000 . . . . . . . . . . . 6389 1 145 . 1 1 30 30 LYS HB2 H 1 1.583 0.000 . . . . . . . . . . . 6389 1 146 . 1 1 30 30 LYS HB3 H 1 1.683 0.001 . . . . . . . . . . . 6389 1 147 . 1 1 30 30 LYS HG2 H 1 1.255 0.000 . . . . . . . . . . . 6389 1 148 . 1 1 30 30 LYS HD2 H 1 1.431 0.000 . . . . . . . . . . . 6389 1 149 . 1 1 31 31 CYS HB2 H 1 2.171 0.004 . . . . . . . . . . . 6389 1 150 . 1 1 31 31 CYS HB3 H 1 2.649 0.002 . . . . . . . . . . . 6389 1 151 . 1 1 32 32 ILE H H 1 8.676 0.000 . . . . . . . . . . . 6389 1 152 . 1 1 32 32 ILE HA H 1 4.129 0.000 . . . . . . . . . . . 6389 1 153 . 1 1 32 32 ILE HB H 1 1.554 0.000 . . . . . . . . . . . 6389 1 154 . 1 1 32 32 ILE HG21 H 1 1.235 0.000 . . . . . . . . . . . 6389 1 155 . 1 1 32 32 ILE HG22 H 1 1.235 0.000 . . . . . . . . . . . 6389 1 156 . 1 1 32 32 ILE HG23 H 1 1.235 0.000 . . . . . . . . . . . 6389 1 157 . 1 1 32 32 ILE HG12 H 1 0.799 0.000 . . . . . . . . . . . 6389 1 158 . 1 1 32 32 ILE HD11 H 1 0.698 0.000 . . . . . . . . . . . 6389 1 159 . 1 1 32 32 ILE HD12 H 1 0.698 0.000 . . . . . . . . . . . 6389 1 160 . 1 1 32 32 ILE HD13 H 1 0.698 0.000 . . . . . . . . . . . 6389 1 161 . 1 1 33 33 ASN H H 1 9.318 0.000 . . . . . . . . . . . 6389 1 162 . 1 1 33 33 ASN HA H 1 4.165 0.000 . . . . . . . . . . . 6389 1 163 . 1 1 33 33 ASN HB2 H 1 2.579 0.000 . . . . . . . . . . . 6389 1 164 . 1 1 33 33 ASN HB3 H 1 2.893 0.000 . . . . . . . . . . . 6389 1 165 . 1 1 34 34 LYS H H 1 8.356 0.000 . . . . . . . . . . . 6389 1 166 . 1 1 34 34 LYS HA H 1 3.764 0.000 . . . . . . . . . . . 6389 1 167 . 1 1 34 34 LYS HB2 H 1 2.003 0.000 . . . . . . . . . . . 6389 1 168 . 1 1 34 34 LYS HB3 H 1 2.091 0.000 . . . . . . . . . . . 6389 1 169 . 1 1 34 34 LYS HG2 H 1 1.209 0.000 . . . . . . . . . . . 6389 1 170 . 1 1 34 34 LYS HE2 H 1 2.842 0.000 . . . . . . . . . . . 6389 1 171 . 1 1 34 34 LYS HZ1 H 1 7.379 0.000 . . . . . . . . . . . 6389 1 172 . 1 1 34 34 LYS HZ2 H 1 7.379 0.000 . . . . . . . . . . . 6389 1 173 . 1 1 34 34 LYS HZ3 H 1 7.379 0.000 . . . . . . . . . . . 6389 1 174 . 1 1 35 35 SER H H 1 7.666 0.003 . . . . . . . . . . . 6389 1 175 . 1 1 35 35 SER HA H 1 5.162 0.002 . . . . . . . . . . . 6389 1 176 . 1 1 35 35 SER HB2 H 1 3.521 0.000 . . . . . . . . . . . 6389 1 177 . 1 1 35 35 SER HB3 H 1 3.617 0.000 . . . . . . . . . . . 6389 1 178 . 1 1 36 36 CYS H H 1 8.697 0.000 . . . . . . . . . . . 6389 1 179 . 1 1 36 36 CYS HA H 1 4.513 0.001 . . . . . . . . . . . 6389 1 180 . 1 1 36 36 CYS HB2 H 1 2.365 0.000 . . . . . . . . . . . 6389 1 181 . 1 1 36 36 CYS HB3 H 1 2.659 0.000 . . . . . . . . . . . 6389 1 182 . 1 1 37 37 LYS H H 1 8.955 0.000 . . . . . . . . . . . 6389 1 183 . 1 1 37 37 LYS HA H 1 4.375 0.000 . . . . . . . . . . . 6389 1 184 . 1 1 37 37 LYS HB2 H 1 1.455 0.000 . . . . . . . . . . . 6389 1 185 . 1 1 37 37 LYS HB3 H 1 1.552 0.000 . . . . . . . . . . . 6389 1 186 . 1 1 37 37 LYS HD2 H 1 1.305 0.000 . . . . . . . . . . . 6389 1 187 . 1 1 37 37 LYS HE2 H 1 2.490 0.000 . . . . . . . . . . . 6389 1 188 . 1 1 37 37 LYS HE3 H 1 2.642 0.000 . . . . . . . . . . . 6389 1 189 . 1 1 37 37 LYS HZ1 H 1 7.323 0.000 . . . . . . . . . . . 6389 1 190 . 1 1 37 37 LYS HZ2 H 1 7.323 0.000 . . . . . . . . . . . 6389 1 191 . 1 1 37 37 LYS HZ3 H 1 7.323 0.000 . . . . . . . . . . . 6389 1 192 . 1 1 38 38 CYS H H 1 8.639 0.001 . . . . . . . . . . . 6389 1 193 . 1 1 38 38 CYS HA H 1 4.680 0.290 . . . . . . . . . . . 6389 1 194 . 1 1 38 38 CYS HB2 H 1 2.492 0.065 . . . . . . . . . . . 6389 1 195 . 1 1 38 38 CYS HB3 H 1 3.330 0.329 . . . . . . . . . . . 6389 1 196 . 1 1 39 39 TYR H H 1 8.104 0.000 . . . . . . . . . . . 6389 1 197 . 1 1 39 39 TYR HA H 1 4.316 0.000 . . . . . . . . . . . 6389 1 198 . 1 1 39 39 TYR HB2 H 1 2.291 0.001 . . . . . . . . . . . 6389 1 199 . 1 1 39 39 TYR HB3 H 1 3.071 0.000 . . . . . . . . . . . 6389 1 200 . 1 1 39 39 TYR HD1 H 1 6.815 0.002 . . . . . . . . . . . 6389 1 201 . 1 1 39 39 TYR HE1 H 1 7.573 0.001 . . . . . . . . . . . 6389 1 202 . 1 1 40 40 GLY H H 1 9.415 0.002 . . . . . . . . . . . 6389 1 203 . 1 1 40 40 GLY HA2 H 1 3.696 0.000 . . . . . . . . . . . 6389 1 204 . 1 1 40 40 GLY HA3 H 1 4.096 0.000 . . . . . . . . . . . 6389 1 205 . 1 1 41 41 CYS H H 1 8.746 0.000 . . . . . . . . . . . 6389 1 206 . 1 1 41 41 CYS HA H 1 4.362 0.000 . . . . . . . . . . . 6389 1 207 . 1 1 41 41 CYS HB2 H 1 2.675 0.000 . . . . . . . . . . . 6389 1 208 . 1 1 41 41 CYS HB3 H 1 3.047 0.000 . . . . . . . . . . . 6389 1 stop_ save_