################################### # 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5495 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 5495 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 GLU HA H 1 4.042 0.001 . 1 . . . . . . . . 5495 1 2 . 1 1 2 2 ASP H H 1 8.863 0.000 . 1 . . . . . . . . 5495 1 3 . 1 1 2 2 ASP HA H 1 4.748 0.001 . 1 . . . . . . . . 5495 1 4 . 1 1 2 2 ASP HB2 H 1 2.786 0.000 . 1 . . . . . . . . 5495 1 5 . 1 1 2 2 ASP HB3 H 1 2.573 0.000 . 1 . . . . . . . . 5495 1 6 . 1 1 3 3 CYS H H 1 8.377 0.000 . 1 . . . . . . . . 5495 1 7 . 1 1 3 3 CYS HA H 1 4.056 0.000 . 1 . . . . . . . . 5495 1 8 . 1 1 4 4 ILE H H 1 8.954 0.000 . 1 . . . . . . . . 5495 1 9 . 1 1 4 4 ILE HA H 1 4.282 0.000 . 1 . . . . . . . . 5495 1 10 . 1 1 4 4 ILE HB H 1 1.785 0.001 . 1 . . . . . . . . 5495 1 11 . 1 1 4 4 ILE HG21 H 1 0.886 0.025 . 1 . . . . . . . . 5495 1 12 . 1 1 4 4 ILE HG22 H 1 0.886 0.025 . 1 . . . . . . . . 5495 1 13 . 1 1 4 4 ILE HG23 H 1 0.886 0.025 . 1 . . . . . . . . 5495 1 14 . 1 1 4 4 ILE HD11 H 1 1.569 0.000 . 1 . . . . . . . . 5495 1 15 . 1 1 4 4 ILE HD12 H 1 1.569 0.000 . 1 . . . . . . . . 5495 1 16 . 1 1 4 4 ILE HD13 H 1 1.569 0.000 . 1 . . . . . . . . 5495 1 17 . 1 1 5 5 PRO HA H 1 4.302 0.000 . 1 . . . . . . . . 5495 1 18 . 1 1 5 5 PRO HG2 H 1 2.030 0.000 . 1 . . . . . . . . 5495 1 19 . 1 1 5 5 PRO HG3 H 1 1.754 0.000 . 1 . . . . . . . . 5495 1 20 . 1 1 5 5 PRO HD2 H 1 4.099 0.000 . 1 . . . . . . . . 5495 1 21 . 1 1 5 5 PRO HD3 H 1 3.593 0.000 . 1 . . . . . . . . 5495 1 22 . 1 1 6 6 LYS H H 1 7.619 0.000 . 1 . . . . . . . . 5495 1 23 . 1 1 6 6 LYS HA H 1 3.264 0.000 . 1 . . . . . . . . 5495 1 24 . 1 1 6 6 LYS HG2 H 1 0.649 0.000 . 1 . . . . . . . . 5495 1 25 . 1 1 6 6 LYS HG3 H 1 0.192 0.000 . 1 . . . . . . . . 5495 1 26 . 1 1 7 7 TRP H H 1 9.287 0.000 . 1 . . . . . . . . 5495 1 27 . 1 1 7 7 TRP HA H 1 4.230 0.001 . 1 . . . . . . . . 5495 1 28 . 1 1 7 7 TRP HD1 H 1 7.083 0.000 . 1 . . . . . . . . 5495 1 29 . 1 1 7 7 TRP HE1 H 1 10.206 0.001 . 1 . . . . . . . . 5495 1 30 . 1 1 7 7 TRP HH2 H 1 7.489 0.000 . 1 . . . . . . . . 5495 1 31 . 1 1 8 8 LYS H H 1 7.774 0.000 . 1 . . . . . . . . 5495 1 32 . 1 1 8 8 LYS HA H 1 4.706 0.000 . 1 . . . . . . . . 5495 1 33 . 1 1 8 8 LYS HB2 H 1 1.745 0.000 . 1 . . . . . . . . 5495 1 34 . 1 1 8 8 LYS HG2 H 1 1.502 0.000 . 1 . . . . . . . . 5495 1 35 . 1 1 8 8 LYS HG3 H 1 1.423 0.000 . 1 . . . . . . . . 5495 1 36 . 1 1 8 8 LYS HD2 H 1 2.001 0.000 . 1 . . . . . . . . 5495 1 37 . 1 1 8 8 LYS HD3 H 1 1.879 0.000 . 1 . . . . . . . . 5495 1 38 . 1 1 9 9 GLY H H 1 8.509 0.000 . 1 . . . . . . . . 5495 1 39 . 1 1 9 9 GLY HA2 H 1 4.666 0.001 . 1 . . . . . . . . 5495 1 40 . 1 1 9 9 GLY HA3 H 1 3.949 0.001 . 1 . . . . . . . . 5495 1 41 . 1 1 10 10 CYS H H 1 8.298 0.000 . 1 . . . . . . . . 5495 1 42 . 1 1 10 10 CYS HA H 1 4.900 0.000 . 1 . . . . . . . . 5495 1 43 . 1 1 10 10 CYS HB2 H 1 3.430 0.000 . 1 . . . . . . . . 5495 1 44 . 1 1 10 10 CYS HB3 H 1 3.159 0.000 . 1 . . . . . . . . 5495 1 45 . 1 1 11 11 VAL H H 1 7.900 0.000 . 1 . . . . . . . . 5495 1 46 . 1 1 11 11 VAL HA H 1 3.786 0.000 . 1 . . . . . . . . 5495 1 47 . 1 1 11 11 VAL HB H 1 1.993 0.000 . 1 . . . . . . . . 5495 1 48 . 1 1 11 11 VAL HG11 H 1 1.147 0.000 . 1 . . . . . . . . 5495 1 49 . 1 1 11 11 VAL HG12 H 1 1.147 0.000 . 1 . . . . . . . . 5495 1 50 . 1 1 11 11 VAL HG13 H 1 1.147 0.000 . 1 . . . . . . . . 5495 1 51 . 1 1 11 11 VAL HG21 H 1 0.922 0.000 . 1 . . . . . . . . 5495 1 52 . 1 1 11 11 VAL HG22 H 1 0.922 0.000 . 1 . . . . . . . . 5495 1 53 . 1 1 11 11 VAL HG23 H 1 0.922 0.000 . 1 . . . . . . . . 5495 1 54 . 1 1 12 12 ASN H H 1 8.925 0.000 . 1 . . . . . . . . 5495 1 55 . 1 1 12 12 ASN HA H 1 4.294 0.000 . 1 . . . . . . . . 5495 1 56 . 1 1 12 12 ASN HB2 H 1 3.048 0.000 . 1 . . . . . . . . 5495 1 57 . 1 1 12 12 ASN HB3 H 1 2.988 0.000 . 1 . . . . . . . . 5495 1 58 . 1 1 12 12 ASN HD21 H 1 7.613 0.000 . 1 . . . . . . . . 5495 1 59 . 1 1 12 12 ASN HD22 H 1 6.919 0.000 . 1 . . . . . . . . 5495 1 60 . 1 1 13 13 ARG H H 1 7.972 0.000 . 1 . . . . . . . . 5495 1 61 . 1 1 13 13 ARG HA H 1 4.614 0.000 . 1 . . . . . . . . 5495 1 62 . 1 1 13 13 ARG HG2 H 1 1.662 0.000 . 1 . . . . . . . . 5495 1 63 . 1 1 13 13 ARG HG3 H 1 1.486 0.000 . 1 . . . . . . . . 5495 1 64 . 1 1 13 13 ARG HD2 H 1 3.272 0.000 . 1 . . . . . . . . 5495 1 65 . 1 1 13 13 ARG HD3 H 1 3.039 0.000 . 1 . . . . . . . . 5495 1 66 . 1 1 13 13 ARG HE H 1 8.223 0.000 . 1 . . . . . . . . 5495 1 67 . 1 1 13 13 ARG HH21 H 1 6.946 0.000 . 1 . . . . . . . . 5495 1 68 . 1 1 13 13 ARG HH22 H 1 6.257 0.000 . 1 . . . . . . . . 5495 1 69 . 1 1 14 14 HIS H H 1 8.695 0.000 . 1 . . . . . . . . 5495 1 70 . 1 1 14 14 HIS HA H 1 4.595 0.001 . 1 . . . . . . . . 5495 1 71 . 1 1 14 14 HIS HD1 H 1 8.531 0.000 . 1 . . . . . . . . 5495 1 72 . 1 1 14 14 HIS HD2 H 1 7.924 0.606 . 1 . . . . . . . . 5495 1 73 . 1 1 14 14 HIS HE1 H 1 7.634 0.000 . 1 . . . . . . . . 5495 1 74 . 1 1 15 15 GLY H H 1 8.846 0.000 . 1 . . . . . . . . 5495 1 75 . 1 1 15 15 GLY HA2 H 1 4.467 0.000 . 1 . . . . . . . . 5495 1 76 . 1 1 15 15 GLY HA3 H 1 3.707 0.000 . 1 . . . . . . . . 5495 1 77 . 1 1 16 16 ASP H H 1 7.408 0.000 . 1 . . . . . . . . 5495 1 78 . 1 1 16 16 ASP HA H 1 4.917 0.000 . 1 . . . . . . . . 5495 1 79 . 1 1 16 16 ASP HB2 H 1 3.241 0.000 . 1 . . . . . . . . 5495 1 80 . 1 1 16 16 ASP HB3 H 1 2.677 0.000 . 1 . . . . . . . . 5495 1 81 . 1 1 17 17 CYS H H 1 8.618 0.000 . 1 . . . . . . . . 5495 1 82 . 1 1 17 17 CYS HA H 1 5.043 0.000 . 1 . . . . . . . . 5495 1 83 . 1 1 17 17 CYS HB2 H 1 2.966 0.000 . 1 . . . . . . . . 5495 1 84 . 1 1 17 17 CYS HB3 H 1 2.772 0.000 . 1 . . . . . . . . 5495 1 85 . 1 1 18 18 CYS H H 1 9.102 0.000 . 1 . . . . . . . . 5495 1 86 . 1 1 18 18 CYS HA H 1 4.451 0.000 . 1 . . . . . . . . 5495 1 87 . 1 1 18 18 CYS HB2 H 1 3.418 0.000 . 1 . . . . . . . . 5495 1 88 . 1 1 18 18 CYS HB3 H 1 2.499 0.000 . 1 . . . . . . . . 5495 1 89 . 1 1 19 19 GLU H H 1 8.221 0.000 . 1 . . . . . . . . 5495 1 90 . 1 1 19 19 GLU HA H 1 4.064 0.000 . 1 . . . . . . . . 5495 1 91 . 1 1 20 20 GLY H H 1 8.887 0.000 . 1 . . . . . . . . 5495 1 92 . 1 1 20 20 GLY HA2 H 1 4.243 0.000 . 1 . . . . . . . . 5495 1 93 . 1 1 20 20 GLY HA3 H 1 3.661 0.000 . 1 . . . . . . . . 5495 1 94 . 1 1 21 21 LEU H H 1 7.820 0.000 . 1 . . . . . . . . 5495 1 95 . 1 1 21 21 LEU HA H 1 5.135 0.000 . 1 . . . . . . . . 5495 1 96 . 1 1 21 21 LEU HB2 H 1 2.082 0.000 . 1 . . . . . . . . 5495 1 97 . 1 1 21 21 LEU HB3 H 1 0.965 0.000 . 1 . . . . . . . . 5495 1 98 . 1 1 21 21 LEU HG H 1 1.250 0.000 . 1 . . . . . . . . 5495 1 99 . 1 1 21 21 LEU HD11 H 1 0.650 0.000 . 1 . . . . . . . . 5495 1 100 . 1 1 21 21 LEU HD12 H 1 0.650 0.000 . 1 . . . . . . . . 5495 1 101 . 1 1 21 21 LEU HD13 H 1 0.650 0.000 . 1 . . . . . . . . 5495 1 102 . 1 1 21 21 LEU HD21 H 1 0.374 0.000 . 1 . . . . . . . . 5495 1 103 . 1 1 21 21 LEU HD22 H 1 0.374 0.000 . 1 . . . . . . . . 5495 1 104 . 1 1 21 21 LEU HD23 H 1 0.374 0.000 . 1 . . . . . . . . 5495 1 105 . 1 1 22 22 GLU H H 1 9.377 0.000 . 1 . . . . . . . . 5495 1 106 . 1 1 22 22 GLU HA H 1 4.670 0.000 . 1 . . . . . . . . 5495 1 107 . 1 1 22 22 GLU HB2 H 1 1.962 0.000 . 1 . . . . . . . . 5495 1 108 . 1 1 22 22 GLU HB3 H 1 1.813 0.000 . 1 . . . . . . . . 5495 1 109 . 1 1 23 23 CYS H H 1 8.935 0.000 . 1 . . . . . . . . 5495 1 110 . 1 1 23 23 CYS HA H 1 4.769 0.000 . 1 . . . . . . . . 5495 1 111 . 1 1 23 23 CYS HB2 H 1 3.144 0.000 . 1 . . . . . . . . 5495 1 112 . 1 1 23 23 CYS HB3 H 1 2.755 0.000 . 1 . . . . . . . . 5495 1 113 . 1 1 24 24 TRP H H 1 9.403 0.000 . 1 . . . . . . . . 5495 1 114 . 1 1 24 24 TRP HA H 1 4.872 0.000 . 1 . . . . . . . . 5495 1 115 . 1 1 24 24 TRP HB2 H 1 3.406 0.000 . 1 . . . . . . . . 5495 1 116 . 1 1 24 24 TRP HB3 H 1 3.019 0.000 . 1 . . . . . . . . 5495 1 117 . 1 1 24 24 TRP HD1 H 1 7.121 0.001 . 1 . . . . . . . . 5495 1 118 . 1 1 24 24 TRP HE1 H 1 10.179 0.000 . 1 . . . . . . . . 5495 1 119 . 1 1 24 24 TRP HZ2 H 1 7.147 0.000 . 1 . . . . . . . . 5495 1 120 . 1 1 24 24 TRP HH2 H 1 7.556 0.000 . 1 . . . . . . . . 5495 1 121 . 1 1 25 25 LYS H H 1 8.086 0.000 . 1 . . . . . . . . 5495 1 122 . 1 1 25 25 LYS HA H 1 4.184 0.001 . 1 . . . . . . . . 5495 1 123 . 1 1 26 26 ARG H H 1 7.601 0.000 . 1 . . . . . . . . 5495 1 124 . 1 1 26 26 ARG HA H 1 3.985 0.001 . 1 . . . . . . . . 5495 1 125 . 1 1 26 26 ARG HE H 1 7.016 0.000 . 1 . . . . . . . . 5495 1 126 . 1 1 27 27 ARG H H 1 8.381 0.000 . 1 . . . . . . . . 5495 1 127 . 1 1 27 27 ARG HA H 1 4.345 0.001 . 1 . . . . . . . . 5495 1 128 . 1 1 27 27 ARG HB2 H 1 1.874 0.004 . 1 . . . . . . . . 5495 1 129 . 1 1 27 27 ARG HB3 H 1 1.788 0.007 . 1 . . . . . . . . 5495 1 130 . 1 1 29 29 SER H H 1 8.023 0.000 . 1 . . . . . . . . 5495 1 131 . 1 1 29 29 SER HA H 1 4.373 0.000 . 1 . . . . . . . . 5495 1 132 . 1 1 29 29 SER HB2 H 1 3.756 0.000 . 1 . . . . . . . . 5495 1 133 . 1 1 29 29 SER HB3 H 1 3.613 0.002 . 1 . . . . . . . . 5495 1 134 . 1 1 30 30 PHE H H 1 7.862 0.000 . 1 . . . . . . . . 5495 1 135 . 1 1 30 30 PHE HA H 1 4.778 0.000 . 1 . . . . . . . . 5495 1 136 . 1 1 30 30 PHE HB2 H 1 3.178 0.003 . 1 . . . . . . . . 5495 1 137 . 1 1 30 30 PHE HB3 H 1 3.049 0.001 . 1 . . . . . . . . 5495 1 138 . 1 1 30 30 PHE HZ H 1 7.293 0.000 . 1 . . . . . . . . 5495 1 139 . 1 1 31 31 GLU H H 1 8.579 0.000 . 1 . . . . . . . . 5495 1 140 . 1 1 31 31 GLU HA H 1 4.279 0.000 . 1 . . . . . . . . 5495 1 141 . 1 1 31 31 GLU HG2 H 1 1.636 0.001 . 1 . . . . . . . . 5495 1 142 . 1 1 31 31 GLU HG3 H 1 1.446 0.001 . 1 . . . . . . . . 5495 1 143 . 1 1 32 32 VAL H H 1 8.365 0.001 . 1 . . . . . . . . 5495 1 144 . 1 1 32 32 VAL HA H 1 5.053 0.000 . 1 . . . . . . . . 5495 1 145 . 1 1 32 32 VAL HB H 1 1.776 0.000 . 1 . . . . . . . . 5495 1 146 . 1 1 32 32 VAL HG11 H 1 0.893 0.000 . 1 . . . . . . . . 5495 1 147 . 1 1 32 32 VAL HG12 H 1 0.893 0.000 . 1 . . . . . . . . 5495 1 148 . 1 1 32 32 VAL HG13 H 1 0.893 0.000 . 1 . . . . . . . . 5495 1 149 . 1 1 32 32 VAL HG21 H 1 0.825 0.000 . 1 . . . . . . . . 5495 1 150 . 1 1 32 32 VAL HG22 H 1 0.825 0.000 . 1 . . . . . . . . 5495 1 151 . 1 1 32 32 VAL HG23 H 1 0.825 0.000 . 1 . . . . . . . . 5495 1 152 . 1 1 33 33 CYS H H 1 8.219 0.000 . 1 . . . . . . . . 5495 1 153 . 1 1 33 33 CYS HA H 1 5.121 0.000 . 1 . . . . . . . . 5495 1 154 . 1 1 33 33 CYS HB2 H 1 2.960 0.000 . 1 . . . . . . . . 5495 1 155 . 1 1 33 33 CYS HB3 H 1 2.537 0.000 . 1 . . . . . . . . 5495 1 156 . 1 1 34 34 VAL H H 1 9.563 0.000 . 1 . . . . . . . . 5495 1 157 . 1 1 34 34 VAL HA H 1 4.503 0.004 . 1 . . . . . . . . 5495 1 158 . 1 1 34 34 VAL HB H 1 2.159 0.005 . 1 . . . . . . . . 5495 1 159 . 1 1 34 34 VAL HG11 H 1 1.031 0.003 . 1 . . . . . . . . 5495 1 160 . 1 1 34 34 VAL HG12 H 1 1.031 0.003 . 1 . . . . . . . . 5495 1 161 . 1 1 34 34 VAL HG13 H 1 1.031 0.003 . 1 . . . . . . . . 5495 1 162 . 1 1 34 34 VAL HG21 H 1 0.831 0.003 . 1 . . . . . . . . 5495 1 163 . 1 1 34 34 VAL HG22 H 1 0.831 0.003 . 1 . . . . . . . . 5495 1 164 . 1 1 34 34 VAL HG23 H 1 0.831 0.003 . 1 . . . . . . . . 5495 1 165 . 1 1 35 35 PRO HA H 1 4.362 0.000 . 1 . . . . . . . . 5495 1 166 . 1 1 35 35 PRO HB2 H 1 2.239 0.000 . 1 . . . . . . . . 5495 1 167 . 1 1 35 35 PRO HB3 H 1 1.803 0.000 . 1 . . . . . . . . 5495 1 168 . 1 1 35 35 PRO HG2 H 1 2.093 0.000 . 1 . . . . . . . . 5495 1 169 . 1 1 35 35 PRO HG3 H 1 1.561 0.001 . 1 . . . . . . . . 5495 1 170 . 1 1 35 35 PRO HD2 H 1 3.447 0.000 . 1 . . . . . . . . 5495 1 171 . 1 1 35 35 PRO HD3 H 1 2.768 0.000 . 1 . . . . . . . . 5495 1 172 . 1 1 36 36 LYS H H 1 8.024 0.000 . 1 . . . . . . . . 5495 1 173 . 1 1 36 36 LYS HA H 1 4.141 0.000 . 1 . . . . . . . . 5495 1 174 . 1 1 36 36 LYS HB2 H 1 1.660 0.000 . 1 . . . . . . . . 5495 1 175 . 1 1 36 36 LYS HB3 H 1 1.441 0.001 . 1 . . . . . . . . 5495 1 176 . 1 1 36 36 LYS HG2 H 1 1.248 0.000 . 1 . . . . . . . . 5495 1 177 . 1 1 36 36 LYS HG3 H 1 1.162 0.000 . 1 . . . . . . . . 5495 1 178 . 1 1 37 37 THR H H 1 8.277 0.000 . 1 . . . . . . . . 5495 1 179 . 1 1 37 37 THR HA H 1 4.509 0.001 . 1 . . . . . . . . 5495 1 180 . 1 1 37 37 THR HB H 1 4.079 0.000 . 1 . . . . . . . . 5495 1 181 . 1 1 37 37 THR HG21 H 1 1.173 0.000 . 1 . . . . . . . . 5495 1 182 . 1 1 37 37 THR HG22 H 1 1.173 0.000 . 1 . . . . . . . . 5495 1 183 . 1 1 37 37 THR HG23 H 1 1.173 0.000 . 1 . . . . . . . . 5495 1 184 . 1 1 38 38 PRO HA H 1 4.389 0.001 . 1 . . . . . . . . 5495 1 185 . 1 1 38 38 PRO HD2 H 1 3.820 0.000 . 1 . . . . . . . . 5495 1 186 . 1 1 38 38 PRO HD3 H 1 3.656 0.000 . 1 . . . . . . . . 5495 1 187 . 1 1 39 39 LYS H H 1 8.523 0.000 . 1 . . . . . . . . 5495 1 188 . 1 1 39 39 LYS HA H 1 4.062 0.005 . 1 . . . . . . . . 5495 1 189 . 1 1 40 40 THR H H 1 7.772 0.000 . 1 . . . . . . . . 5495 1 190 . 1 1 40 40 THR HA H 1 4.228 0.000 . 1 . . . . . . . . 5495 1 191 . 1 1 40 40 THR HB H 1 4.167 0.000 . 1 . . . . . . . . 5495 1 192 . 1 1 40 40 THR HG21 H 1 1.140 0.000 . 1 . . . . . . . . 5495 1 193 . 1 1 40 40 THR HG22 H 1 1.140 0.000 . 1 . . . . . . . . 5495 1 194 . 1 1 40 40 THR HG23 H 1 1.140 0.000 . 1 . . . . . . . . 5495 1 stop_ save_