################################### # 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6467 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $ex-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 COSY 1 $sample_1 . 6467 1 2 TOCSY 1 $sample_1 . 6467 1 3 NOESY 1 $sample_1 . 6467 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 3.464 0.001 . . . . . . . . . . . 6467 1 2 . 1 1 1 1 GLY HA3 H 1 3.572 0.000 . . . . . . . . . . . 6467 1 3 . 1 1 2 2 THR H H 1 8.590 0.000 . . . . . . . . . . . 6467 1 4 . 1 1 2 2 THR HA H 1 4.122 0.000 . . . . . . . . . . . 6467 1 5 . 1 1 2 2 THR HB H 1 3.973 0.001 . . . . . . . . . . . 6467 1 6 . 1 1 2 2 THR HG21 H 1 1.017 0.000 . . . . . . . . . . . 6467 1 7 . 1 1 2 2 THR HG22 H 1 1.017 0.000 . . . . . . . . . . . 6467 1 8 . 1 1 2 2 THR HG23 H 1 1.017 0.000 . . . . . . . . . . . 6467 1 9 . 1 1 3 3 ALA H H 1 8.239 0.000 . . . . . . . . . . . 6467 1 10 . 1 1 3 3 ALA HA H 1 4.245 0.000 . . . . . . . . . . . 6467 1 11 . 1 1 3 3 ALA HB1 H 1 1.169 0.000 . . . . . . . . . . . 6467 1 12 . 1 1 3 3 ALA HB2 H 1 1.169 0.000 . . . . . . . . . . . 6467 1 13 . 1 1 3 3 ALA HB3 H 1 1.169 0.000 . . . . . . . . . . . 6467 1 14 . 1 1 4 4 CYS H H 1 7.474 0.000 . . . . . . . . . . . 6467 1 15 . 1 1 4 4 CYS HA H 1 4.239 0.000 . . . . . . . . . . . 6467 1 16 . 1 1 4 4 CYS HB2 H 1 1.184 0.000 . . . . . . . . . . . 6467 1 17 . 1 1 4 4 CYS HB3 H 1 2.200 0.000 . . . . . . . . . . . 6467 1 18 . 1 1 5 5 SER H H 1 6.921 0.000 . . . . . . . . . . . 6467 1 19 . 1 1 5 5 SER HA H 1 4.648 0.000 . . . . . . . . . . . 6467 1 20 . 1 1 5 5 SER HB2 H 1 3.264 0.000 . . . . . . . . . . . 6467 1 21 . 1 1 5 5 SER HB3 H 1 3.394 0.000 . . . . . . . . . . . 6467 1 22 . 1 1 6 6 CYS H H 1 8.105 0.002 . . . . . . . . . . . 6467 1 23 . 1 1 6 6 CYS HA H 1 4.599 0.000 . . . . . . . . . . . 6467 1 24 . 1 1 6 6 CYS HB2 H 1 2.300 0.000 . . . . . . . . . . . 6467 1 25 . 1 1 6 6 CYS HB3 H 1 2.885 0.000 . . . . . . . . . . . 6467 1 26 . 1 1 7 7 GLY H H 1 8.885 0.000 . . . . . . . . . . . 6467 1 27 . 1 1 7 7 GLY HA2 H 1 3.365 0.000 . . . . . . . . . . . 6467 1 28 . 1 1 7 7 GLY HA3 H 1 3.685 0.000 . . . . . . . . . . . 6467 1 29 . 1 1 8 8 ASN H H 1 8.782 0.000 . . . . . . . . . . . 6467 1 30 . 1 1 8 8 ASN HA H 1 4.471 0.000 . . . . . . . . . . . 6467 1 31 . 1 1 8 8 ASN HB2 H 1 2.489 0.000 . . . . . . . . . . . 6467 1 32 . 1 1 8 8 ASN HB3 H 1 2.653 0.000 . . . . . . . . . . . 6467 1 33 . 1 1 8 8 ASN HD21 H 1 7.424 0.001 . . . . . . . . . . . 6467 1 34 . 1 1 8 8 ASN HD22 H 1 6.759 0.000 . . . . . . . . . . . 6467 1 35 . 1 1 9 9 SER H H 1 7.777 0.000 . . . . . . . . . . . 6467 1 36 . 1 1 9 9 SER HA H 1 4.324 0.000 . . . . . . . . . . . 6467 1 37 . 1 1 9 9 SER HB2 H 1 3.485 0.000 . . . . . . . . . . . 6467 1 38 . 1 1 9 9 SER HB3 H 1 3.651 0.000 . . . . . . . . . . . 6467 1 39 . 1 1 10 10 LYS H H 1 8.461 0.000 . . . . . . . . . . . 6467 1 40 . 1 1 10 10 LYS HA H 1 4.076 0.000 . . . . . . . . . . . 6467 1 41 . 1 1 10 10 LYS HB2 H 1 1.559 0.000 . . . . . . . . . . . 6467 1 42 . 1 1 10 10 LYS HB3 H 1 1.719 0.000 . . . . . . . . . . . 6467 1 43 . 1 1 10 10 LYS HG2 H 1 1.199 0.000 . . . . . . . . . . . 6467 1 44 . 1 1 10 10 LYS HG3 H 1 1.322 0.001 . . . . . . . . . . . 6467 1 45 . 1 1 10 10 LYS HD2 H 1 1.390 0.000 . . . . . . . . . . . 6467 1 46 . 1 1 10 10 LYS HE2 H 1 2.706 0.000 . . . . . . . . . . . 6467 1 47 . 1 1 10 10 LYS HZ1 H 1 7.296 0.000 . . . . . . . . . . . 6467 1 48 . 1 1 10 10 LYS HZ2 H 1 7.296 0.000 . . . . . . . . . . . 6467 1 49 . 1 1 10 10 LYS HZ3 H 1 7.296 0.000 . . . . . . . . . . . 6467 1 50 . 1 1 11 11 GLY H H 1 8.138 0.000 . . . . . . . . . . . 6467 1 51 . 1 1 11 11 GLY HA2 H 1 3.163 0.001 . . . . . . . . . . . 6467 1 52 . 1 1 11 11 GLY HA3 H 1 4.288 0.000 . . . . . . . . . . . 6467 1 53 . 1 1 12 12 ILE H H 1 8.522 0.001 . . . . . . . . . . . 6467 1 54 . 1 1 12 12 ILE HA H 1 4.443 0.000 . . . . . . . . . . . 6467 1 55 . 1 1 12 12 ILE HB H 1 1.667 0.002 . . . . . . . . . . . 6467 1 56 . 1 1 12 12 ILE HG13 H 1 0.444 0.001 . . . . . . . . . . . 6467 1 57 . 1 1 12 12 ILE HG12 H 1 1.177 0.001 . . . . . . . . . . . 6467 1 58 . 1 1 12 12 ILE HD11 H 1 0.535 0.001 . . . . . . . . . . . 6467 1 59 . 1 1 12 12 ILE HD12 H 1 0.535 0.001 . . . . . . . . . . . 6467 1 60 . 1 1 12 12 ILE HD13 H 1 0.535 0.001 . . . . . . . . . . . 6467 1 61 . 1 1 13 13 TYR H H 1 8.487 0.000 . . . . . . . . . . . 6467 1 62 . 1 1 13 13 TYR HA H 1 4.496 0.001 . . . . . . . . . . . 6467 1 63 . 1 1 13 13 TYR HB2 H 1 2.004 0.002 . . . . . . . . . . . 6467 1 64 . 1 1 13 13 TYR HB3 H 1 2.412 0.002 . . . . . . . . . . . 6467 1 65 . 1 1 13 13 TYR HD1 H 1 6.460 0.001 . . . . . . . . . . . 6467 1 66 . 1 1 14 14 TRP H H 1 9.013 0.001 . . . . . . . . . . . 6467 1 67 . 1 1 14 14 TRP HA H 1 3.984 0.002 . . . . . . . . . . . 6467 1 68 . 1 1 14 14 TRP HB2 H 1 2.657 0.002 . . . . . . . . . . . 6467 1 69 . 1 1 14 14 TRP HB3 H 1 2.791 0.001 . . . . . . . . . . . 6467 1 70 . 1 1 14 14 TRP HD1 H 1 6.767 0.001 . . . . . . . . . . . 6467 1 71 . 1 1 14 14 TRP HE3 H 1 7.475 0.000 . . . . . . . . . . . 6467 1 72 . 1 1 14 14 TRP HE1 H 1 9.316 0.001 . . . . . . . . . . . 6467 1 73 . 1 1 15 15 PHE H H 1 7.616 0.000 . . . . . . . . . . . 6467 1 74 . 1 1 15 15 PHE HA H 1 3.600 0.000 . . . . . . . . . . . 6467 1 75 . 1 1 15 15 PHE HB2 H 1 2.234 0.000 . . . . . . . . . . . 6467 1 76 . 1 1 15 15 PHE HB3 H 1 2.543 0.000 . . . . . . . . . . . 6467 1 77 . 1 1 15 15 PHE HD1 H 1 6.717 0.001 . . . . . . . . . . . 6467 1 78 . 1 1 15 15 PHE HE1 H 1 6.882 0.000 . . . . . . . . . . . 6467 1 79 . 1 1 16 16 TYR H H 1 8.314 0.000 . . . . . . . . . . . 6467 1 80 . 1 1 16 16 TYR HA H 1 3.958 0.004 . . . . . . . . . . . 6467 1 81 . 1 1 16 16 TYR HB2 H 1 2.428 0.000 . . . . . . . . . . . 6467 1 82 . 1 1 16 16 TYR HB3 H 1 2.948 0.000 . . . . . . . . . . . 6467 1 83 . 1 1 16 16 TYR HD1 H 1 6.739 0.001 . . . . . . . . . . . 6467 1 84 . 1 1 16 16 TYR HE1 H 1 6.526 0.000 . . . . . . . . . . . 6467 1 85 . 1 1 17 17 ARG H H 1 7.128 0.000 . . . . . . . . . . . 6467 1 86 . 1 1 17 17 ARG HA H 1 4.675 0.000 . . . . . . . . . . . 6467 1 87 . 1 1 17 17 ARG HB2 H 1 1.586 0.000 . . . . . . . . . . . 6467 1 88 . 1 1 17 17 ARG HB3 H 1 1.765 0.000 . . . . . . . . . . . 6467 1 89 . 1 1 17 17 ARG HG2 H 1 1.510 0.000 . . . . . . . . . . . 6467 1 90 . 1 1 17 17 ARG HD2 H 1 2.920 0.001 . . . . . . . . . . . 6467 1 91 . 1 1 17 17 ARG HD3 H 1 3.078 0.001 . . . . . . . . . . . 6467 1 92 . 1 1 17 17 ARG HE H 1 6.946 0.000 . . . . . . . . . . . 6467 1 93 . 1 1 18 18 PRO HA H 1 4.122 0.001 . . . . . . . . . . . 6467 1 94 . 1 1 18 18 PRO HB2 H 1 1.798 0.001 . . . . . . . . . . . 6467 1 95 . 1 1 18 18 PRO HG2 H 1 1.625 0.003 . . . . . . . . . . . 6467 1 96 . 1 1 18 18 PRO HD2 H 1 3.464 0.001 . . . . . . . . . . . 6467 1 97 . 1 1 18 18 PRO HD3 H 1 3.602 0.000 . . . . . . . . . . . 6467 1 98 . 1 1 19 19 SER H H 1 6.917 0.001 . . . . . . . . . . . 6467 1 99 . 1 1 19 19 SER HA H 1 4.219 0.000 . . . . . . . . . . . 6467 1 100 . 1 1 19 19 SER HB2 H 1 3.465 0.000 . . . . . . . . . . . 6467 1 101 . 1 1 20 20 CYS H H 1 8.545 0.000 . . . . . . . . . . . 6467 1 102 . 1 1 20 20 CYS HA H 1 3.791 0.005 . . . . . . . . . . . 6467 1 103 . 1 1 20 20 CYS HB2 H 1 2.504 0.001 . . . . . . . . . . . 6467 1 104 . 1 1 21 21 PRO HA H 1 4.057 0.001 . . . . . . . . . . . 6467 1 105 . 1 1 21 21 PRO HB2 H 1 1.283 0.000 . . . . . . . . . . . 6467 1 106 . 1 1 21 21 PRO HB3 H 1 1.773 0.001 . . . . . . . . . . . 6467 1 107 . 1 1 21 21 PRO HG2 H 1 0.431 0.000 . . . . . . . . . . . 6467 1 108 . 1 1 21 21 PRO HG3 H 1 0.503 0.000 . . . . . . . . . . . 6467 1 109 . 1 1 21 21 PRO HD2 H 1 2.185 0.000 . . . . . . . . . . . 6467 1 110 . 1 1 21 21 PRO HD3 H 1 2.447 0.000 . . . . . . . . . . . 6467 1 111 . 1 1 22 22 THR H H 1 8.181 0.001 . . . . . . . . . . . 6467 1 112 . 1 1 22 22 THR HA H 1 3.933 0.001 . . . . . . . . . . . 6467 1 113 . 1 1 22 22 THR HB H 1 4.160 0.000 . . . . . . . . . . . 6467 1 114 . 1 1 22 22 THR HG21 H 1 0.904 0.000 . . . . . . . . . . . 6467 1 115 . 1 1 22 22 THR HG22 H 1 0.904 0.000 . . . . . . . . . . . 6467 1 116 . 1 1 22 22 THR HG23 H 1 0.904 0.000 . . . . . . . . . . . 6467 1 117 . 1 1 23 23 ASP H H 1 8.299 0.000 . . . . . . . . . . . 6467 1 118 . 1 1 23 23 ASP HA H 1 4.371 0.000 . . . . . . . . . . . 6467 1 119 . 1 1 23 23 ASP HB2 H 1 2.562 0.000 . . . . . . . . . . . 6467 1 120 . 1 1 23 23 ASP HB3 H 1 2.696 0.000 . . . . . . . . . . . 6467 1 121 . 1 1 24 24 ARG H H 1 8.324 0.000 . . . . . . . . . . . 6467 1 122 . 1 1 24 24 ARG HA H 1 4.142 0.000 . . . . . . . . . . . 6467 1 123 . 1 1 24 24 ARG HB2 H 1 0.468 0.000 . . . . . . . . . . . 6467 1 124 . 1 1 24 24 ARG HG2 H 1 1.123 0.000 . . . . . . . . . . . 6467 1 125 . 1 1 24 24 ARG HG3 H 1 1.289 0.000 . . . . . . . . . . . 6467 1 126 . 1 1 24 24 ARG HD2 H 1 2.848 0.000 . . . . . . . . . . . 6467 1 127 . 1 1 24 24 ARG HD3 H 1 2.954 0.000 . . . . . . . . . . . 6467 1 128 . 1 1 24 24 ARG HE H 1 7.382 0.000 . . . . . . . . . . . 6467 1 129 . 1 1 25 25 GLY H H 1 8.159 0.000 . . . . . . . . . . . 6467 1 130 . 1 1 25 25 GLY HA2 H 1 3.245 0.000 . . . . . . . . . . . 6467 1 131 . 1 1 25 25 GLY HA3 H 1 3.560 0.000 . . . . . . . . . . . 6467 1 132 . 1 1 26 26 TYR H H 1 7.540 0.000 . . . . . . . . . . . 6467 1 133 . 1 1 26 26 TYR HA H 1 4.640 0.000 . . . . . . . . . . . 6467 1 134 . 1 1 26 26 TYR HB2 H 1 2.500 0.001 . . . . . . . . . . . 6467 1 135 . 1 1 26 26 TYR HB3 H 1 3.065 0.000 . . . . . . . . . . . 6467 1 136 . 1 1 26 26 TYR HD1 H 1 6.849 0.002 . . . . . . . . . . . 6467 1 137 . 1 1 26 26 TYR HE1 H 1 6.404 0.000 . . . . . . . . . . . 6467 1 138 . 1 1 27 27 THR H H 1 9.578 0.000 . . . . . . . . . . . 6467 1 139 . 1 1 27 27 THR HA H 1 4.314 0.002 . . . . . . . . . . . 6467 1 140 . 1 1 27 27 THR HB H 1 4.241 0.000 . . . . . . . . . . . 6467 1 141 . 1 1 27 27 THR HG21 H 1 0.923 0.000 . . . . . . . . . . . 6467 1 142 . 1 1 27 27 THR HG22 H 1 0.923 0.000 . . . . . . . . . . . 6467 1 143 . 1 1 27 27 THR HG23 H 1 0.923 0.000 . . . . . . . . . . . 6467 1 144 . 1 1 28 28 GLY H H 1 8.104 0.000 . . . . . . . . . . . 6467 1 145 . 1 1 28 28 GLY HA2 H 1 3.412 0.000 . . . . . . . . . . . 6467 1 146 . 1 1 28 28 GLY HA3 H 1 4.199 0.000 . . . . . . . . . . . 6467 1 147 . 1 1 29 29 SER H H 1 7.923 0.000 . . . . . . . . . . . 6467 1 148 . 1 1 29 29 SER HA H 1 5.288 0.001 . . . . . . . . . . . 6467 1 149 . 1 1 29 29 SER HB2 H 1 3.335 0.000 . . . . . . . . . . . 6467 1 150 . 1 1 29 29 SER HB3 H 1 3.947 0.000 . . . . . . . . . . . 6467 1 151 . 1 1 30 30 CYS H H 1 8.478 0.000 . . . . . . . . . . . 6467 1 152 . 1 1 30 30 CYS HA H 1 4.670 0.002 . . . . . . . . . . . 6467 1 153 . 1 1 30 30 CYS HB2 H 1 2.880 0.001 . . . . . . . . . . . 6467 1 154 . 1 1 30 30 CYS HB3 H 1 3.160 0.002 . . . . . . . . . . . 6467 1 155 . 1 1 31 31 ARG H H 1 8.532 0.000 . . . . . . . . . . . 6467 1 156 . 1 1 31 31 ARG HA H 1 4.189 0.000 . . . . . . . . . . . 6467 1 157 . 1 1 31 31 ARG HB2 H 1 1.497 0.000 . . . . . . . . . . . 6467 1 158 . 1 1 31 31 ARG HG2 H 1 1.384 0.002 . . . . . . . . . . . 6467 1 159 . 1 1 31 31 ARG HD2 H 1 2.941 0.001 . . . . . . . . . . . 6467 1 160 . 1 1 31 31 ARG HE H 1 6.901 0.002 . . . . . . . . . . . 6467 1 161 . 1 1 32 32 TYR H H 1 7.979 0.000 . . . . . . . . . . . 6467 1 162 . 1 1 32 32 TYR HA H 1 4.175 0.000 . . . . . . . . . . . 6467 1 163 . 1 1 32 32 TYR HB2 H 1 2.387 0.000 . . . . . . . . . . . 6467 1 164 . 1 1 32 32 TYR HB3 H 1 2.522 0.000 . . . . . . . . . . . 6467 1 165 . 1 1 32 32 TYR HD1 H 1 6.517 0.000 . . . . . . . . . . . 6467 1 166 . 1 1 32 32 TYR HE1 H 1 6.432 0.000 . . . . . . . . . . . 6467 1 167 . 1 1 33 33 PHE H H 1 8.445 0.000 . . . . . . . . . . . 6467 1 168 . 1 1 33 33 PHE HA H 1 3.710 0.000 . . . . . . . . . . . 6467 1 169 . 1 1 33 33 PHE HB2 H 1 2.741 0.000 . . . . . . . . . . . 6467 1 170 . 1 1 33 33 PHE HD1 H 1 6.489 0.000 . . . . . . . . . . . 6467 1 171 . 1 1 33 33 PHE HE1 H 1 6.903 0.000 . . . . . . . . . . . 6467 1 172 . 1 1 34 34 LEU H H 1 7.821 0.000 . . . . . . . . . . . 6467 1 173 . 1 1 34 34 LEU HA H 1 4.262 0.000 . . . . . . . . . . . 6467 1 174 . 1 1 34 34 LEU HB2 H 1 1.523 0.001 . . . . . . . . . . . 6467 1 175 . 1 1 34 34 LEU HG H 1 1.129 0.001 . . . . . . . . . . . 6467 1 176 . 1 1 34 34 LEU HD11 H 1 0.572 0.001 . . . . . . . . . . . 6467 1 177 . 1 1 34 34 LEU HD12 H 1 0.572 0.001 . . . . . . . . . . . 6467 1 178 . 1 1 34 34 LEU HD13 H 1 0.572 0.001 . . . . . . . . . . . 6467 1 179 . 1 1 34 34 LEU HD21 H 1 0.696 0.001 . . . . . . . . . . . 6467 1 180 . 1 1 34 34 LEU HD22 H 1 0.696 0.001 . . . . . . . . . . . 6467 1 181 . 1 1 34 34 LEU HD23 H 1 0.696 0.001 . . . . . . . . . . . 6467 1 182 . 1 1 35 35 GLY H H 1 8.214 0.001 . . . . . . . . . . . 6467 1 183 . 1 1 35 35 GLY HA3 H 1 4.075 0.000 . . . . . . . . . . . 6467 1 184 . 1 1 36 36 THR H H 1 8.270 0.000 . . . . . . . . . . . 6467 1 185 . 1 1 36 36 THR HA H 1 4.544 0.000 . . . . . . . . . . . 6467 1 186 . 1 1 36 36 THR HB H 1 3.246 0.000 . . . . . . . . . . . 6467 1 187 . 1 1 36 36 THR HG21 H 1 0.801 0.000 . . . . . . . . . . . 6467 1 188 . 1 1 36 36 THR HG22 H 1 0.801 0.000 . . . . . . . . . . . 6467 1 189 . 1 1 36 36 THR HG23 H 1 0.801 0.000 . . . . . . . . . . . 6467 1 190 . 1 1 37 37 CYS H H 1 9.195 0.000 . . . . . . . . . . . 6467 1 191 . 1 1 37 37 CYS HA H 1 4.806 0.002 . . . . . . . . . . . 6467 1 192 . 1 1 37 37 CYS HB2 H 1 1.886 0.000 . . . . . . . . . . . 6467 1 193 . 1 1 37 37 CYS HB3 H 1 3.074 0.001 . . . . . . . . . . . 6467 1 194 . 1 1 38 38 CYS H H 1 8.403 0.001 . . . . . . . . . . . 6467 1 195 . 1 1 38 38 CYS HA H 1 4.343 0.000 . . . . . . . . . . . 6467 1 196 . 1 1 38 38 CYS HB2 H 1 0.799 0.000 . . . . . . . . . . . 6467 1 197 . 1 1 38 38 CYS HB3 H 1 1.794 0.000 . . . . . . . . . . . 6467 1 198 . 1 1 39 39 THR H H 1 8.090 0.000 . . . . . . . . . . . 6467 1 199 . 1 1 39 39 THR HA H 1 4.436 0.001 . . . . . . . . . . . 6467 1 200 . 1 1 39 39 THR HB H 1 3.717 0.000 . . . . . . . . . . . 6467 1 201 . 1 1 39 39 THR HG21 H 1 0.311 0.000 . . . . . . . . . . . 6467 1 202 . 1 1 39 39 THR HG22 H 1 0.311 0.000 . . . . . . . . . . . 6467 1 203 . 1 1 39 39 THR HG23 H 1 0.311 0.000 . . . . . . . . . . . 6467 1 204 . 1 1 40 40 PRO HB2 H 1 2.058 0.002 . . . . . . . . . . . 6467 1 205 . 1 1 40 40 PRO HB3 H 1 2.251 0.005 . . . . . . . . . . . 6467 1 206 . 1 1 40 40 PRO HG2 H 1 1.641 0.000 . . . . . . . . . . . 6467 1 207 . 1 1 40 40 PRO HG3 H 1 1.745 0.000 . . . . . . . . . . . 6467 1 208 . 1 1 40 40 PRO HD2 H 1 3.620 0.000 . . . . . . . . . . . 6467 1 209 . 1 1 40 40 PRO HD3 H 1 3.848 0.000 . . . . . . . . . . . 6467 1 210 . 1 1 41 41 ALA H H 1 7.517 0.000 . . . . . . . . . . . 6467 1 211 . 1 1 41 41 ALA HA H 1 3.997 0.001 . . . . . . . . . . . 6467 1 212 . 1 1 41 41 ALA HB1 H 1 0.982 0.000 . . . . . . . . . . . 6467 1 213 . 1 1 41 41 ALA HB2 H 1 0.982 0.000 . . . . . . . . . . . 6467 1 214 . 1 1 41 41 ALA HB3 H 1 0.982 0.000 . . . . . . . . . . . 6467 1 215 . 1 1 42 42 ASP H H 1 7.899 0.001 . . . . . . . . . . . 6467 1 216 . 1 1 42 42 ASP HA H 1 4.332 0.000 . . . . . . . . . . . 6467 1 217 . 1 1 42 42 ASP HB2 H 1 2.592 0.000 . . . . . . . . . . . 6467 1 stop_ save_