################################### # 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_prototype_ww _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode prototype_ww _Assigned_chem_shift_list.Entry_ID 4713 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set_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 . 4713 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 3 3 GLY HA3 H 1 3.712 0.02 . 1 . . . . . . . . 4713 1 2 . 1 1 3 3 GLY HA2 H 1 3.520 0.02 . 1 . . . . . . . . 4713 1 3 . 1 1 4 4 LEU H H 1 8.271 0.02 . 1 . . . . . . . . 4713 1 4 . 1 1 4 4 LEU HA H 1 4.125 0.02 . 1 . . . . . . . . 4713 1 5 . 1 1 4 4 LEU HB2 H 1 1.728 0.02 . 2 . . . . . . . . 4713 1 6 . 1 1 4 4 LEU HB3 H 1 1.277 0.02 . 2 . . . . . . . . 4713 1 7 . 1 1 4 4 LEU HG H 1 1.609 0.02 . 1 . . . . . . . . 4713 1 8 . 1 1 4 4 LEU HD11 H 1 0.933 0.02 . 2 . . . . . . . . 4713 1 9 . 1 1 4 4 LEU HD12 H 1 0.933 0.02 . 2 . . . . . . . . 4713 1 10 . 1 1 4 4 LEU HD13 H 1 0.933 0.02 . 2 . . . . . . . . 4713 1 11 . 1 1 4 4 LEU HD21 H 1 0.625 0.02 . 2 . . . . . . . . 4713 1 12 . 1 1 4 4 LEU HD22 H 1 0.625 0.02 . 2 . . . . . . . . 4713 1 13 . 1 1 4 4 LEU HD23 H 1 0.625 0.02 . 2 . . . . . . . . 4713 1 14 . 1 1 5 5 PRO HA H 1 3.626 0.02 . 1 . . . . . . . . 4713 1 15 . 1 1 5 5 PRO HB2 H 1 1.560 0.02 . 2 . . . . . . . . 4713 1 16 . 1 1 5 5 PRO HB3 H 1 1.170 0.02 . 2 . . . . . . . . 4713 1 17 . 1 1 5 5 PRO HG2 H 1 1.827 0.02 . 2 . . . . . . . . 4713 1 18 . 1 1 5 5 PRO HG3 H 1 1.704 0.02 . 2 . . . . . . . . 4713 1 19 . 1 1 5 5 PRO HD2 H 1 2.874 0.02 . 2 . . . . . . . . 4713 1 20 . 1 1 5 5 PRO HD3 H 1 3.351 0.02 . 2 . . . . . . . . 4713 1 21 . 1 1 6 6 PRO HA H 1 4.195 0.02 . 1 . . . . . . . . 4713 1 22 . 1 1 6 6 PRO HB2 H 1 2.152 0.02 . 1 . . . . . . . . 4713 1 23 . 1 1 6 6 PRO HG2 H 1 1.967 0.02 . 1 . . . . . . . . 4713 1 24 . 1 1 6 6 PRO HD2 H 1 3.454 0.02 . 1 . . . . . . . . 4713 1 25 . 1 1 6 6 PRO HD3 H 1 3.124 0.02 . 1 . . . . . . . . 4713 1 26 . 1 1 7 7 GLY H H 1 8.737 0.02 . 1 . . . . . . . . 4713 1 27 . 1 1 7 7 GLY HA3 H 1 3.985 0.02 . 1 . . . . . . . . 4713 1 28 . 1 1 7 7 GLY HA2 H 1 3.366 0.02 . 1 . . . . . . . . 4713 1 29 . 1 1 8 8 TRP H H 1 7.418 0.02 . 1 . . . . . . . . 4713 1 30 . 1 1 8 8 TRP HA H 1 5.283 0.02 . 1 . . . . . . . . 4713 1 31 . 1 1 8 8 TRP HB2 H 1 3.124 0.02 . 2 . . . . . . . . 4713 1 32 . 1 1 8 8 TRP HB3 H 1 2.883 0.02 . 2 . . . . . . . . 4713 1 33 . 1 1 8 8 TRP HD1 H 1 6.892 0.02 . 1 . . . . . . . . 4713 1 34 . 1 1 8 8 TRP HE3 H 1 7.346 0.02 . 1 . . . . . . . . 4713 1 35 . 1 1 8 8 TRP HE1 H 1 10.432 0.02 . 1 . . . . . . . . 4713 1 36 . 1 1 8 8 TRP HZ3 H 1 6.849 0.02 . 1 . . . . . . . . 4713 1 37 . 1 1 8 8 TRP HZ2 H 1 7.412 0.02 . 1 . . . . . . . . 4713 1 38 . 1 1 8 8 TRP HH2 H 1 7.006 0.02 . 1 . . . . . . . . 4713 1 39 . 1 1 9 9 ASP H H 1 9.230 0.02 . 1 . . . . . . . . 4713 1 40 . 1 1 9 9 ASP HA H 1 4.991 0.02 . 1 . . . . . . . . 4713 1 41 . 1 1 9 9 ASP HB2 H 1 2.448 0.02 . 2 . . . . . . . . 4713 1 42 . 1 1 9 9 ASP HB3 H 1 2.274 0.02 . 2 . . . . . . . . 4713 1 43 . 1 1 10 10 GLU H H 1 8.448 0.02 . 1 . . . . . . . . 4713 1 44 . 1 1 10 10 GLU HA H 1 4.567 0.02 . 1 . . . . . . . . 4713 1 45 . 1 1 10 10 GLU HB2 H 1 1.758 0.02 . 1 . . . . . . . . 4713 1 46 . 1 1 10 10 GLU HG2 H 1 3.160 0.02 . 1 . . . . . . . . 4713 1 47 . 1 1 11 11 TYR H H 1 8.411 0.02 . 1 . . . . . . . . 4713 1 48 . 1 1 11 11 TYR HA H 1 4.540 0.02 . 1 . . . . . . . . 4713 1 49 . 1 1 11 11 TYR HB2 H 1 2.557 0.02 . 2 . . . . . . . . 4713 1 50 . 1 1 11 11 TYR HB3 H 1 1.080 0.02 . 2 . . . . . . . . 4713 1 51 . 1 1 11 11 TYR HD2 H 1 6.693 0.02 . 3 . . . . . . . . 4713 1 52 . 1 1 11 11 TYR HE1 H 1 6.503 0.02 . 1 . . . . . . . . 4713 1 53 . 1 1 11 11 TYR HE2 H 1 6.503 0.02 . 1 . . . . . . . . 4713 1 54 . 1 1 11 11 TYR HD1 H 1 6.682 0.02 . 3 . . . . . . . . 4713 1 55 . 1 1 12 12 LYS H H 1 8.106 0.02 . 1 . . . . . . . . 4713 1 56 . 1 1 12 12 LYS HA H 1 5.263 0.02 . 1 . . . . . . . . 4713 1 57 . 1 1 12 12 LYS HB2 H 1 1.580 0.02 . 2 . . . . . . . . 4713 1 58 . 1 1 12 12 LYS HB3 H 1 1.471 0.02 . 2 . . . . . . . . 4713 1 59 . 1 1 12 12 LYS HG2 H 1 1.258 0.02 . 1 . . . . . . . . 4713 1 60 . 1 1 12 12 LYS HD2 H 1 1.410 0.02 . 1 . . . . . . . . 4713 1 61 . 1 1 12 12 LYS HE2 H 1 2.795 0.02 . 1 . . . . . . . . 4713 1 62 . 1 1 13 13 THR H H 1 9.089 0.02 . 1 . . . . . . . . 4713 1 63 . 1 1 13 13 THR HA H 1 4.601 0.02 . 1 . . . . . . . . 4713 1 64 . 1 1 13 13 THR HB H 1 4.676 0.02 . 1 . . . . . . . . 4713 1 65 . 1 1 13 13 THR HG21 H 1 1.328 0.02 . 1 . . . . . . . . 4713 1 66 . 1 1 13 13 THR HG22 H 1 1.328 0.02 . 1 . . . . . . . . 4713 1 67 . 1 1 13 13 THR HG23 H 1 1.328 0.02 . 1 . . . . . . . . 4713 1 68 . 1 1 14 14 HIS H H 1 7.642 0.02 . 1 . . . . . . . . 4713 1 69 . 1 1 14 14 HIS HA H 1 4.322 0.02 . 1 . . . . . . . . 4713 1 70 . 1 1 14 14 HIS HB2 H 1 1.716 0.02 . 2 . . . . . . . . 4713 1 71 . 1 1 14 14 HIS HB3 H 1 1.561 0.02 . 2 . . . . . . . . 4713 1 72 . 1 1 14 14 HIS HD2 H 1 6.255 0.02 . 1 . . . . . . . . 4713 1 73 . 1 1 14 14 HIS HE1 H 1 7.409 0.02 . 1 . . . . . . . . 4713 1 74 . 1 1 15 15 ASN H H 1 7.811 0.02 . 1 . . . . . . . . 4713 1 75 . 1 1 15 15 ASN HA H 1 4.316 0.02 . 1 . . . . . . . . 4713 1 76 . 1 1 15 15 ASN HB2 H 1 1.981 0.02 . 2 . . . . . . . . 4713 1 77 . 1 1 15 15 ASN HB3 H 1 1.854 0.02 . 2 . . . . . . . . 4713 1 78 . 1 1 15 15 ASN HD22 H 1 6.696 0.02 . 1 . . . . . . . . 4713 1 79 . 1 1 16 16 GLY H H 1 7.798 0.02 . 1 . . . . . . . . 4713 1 80 . 1 1 16 16 GLY HA3 H 1 4.050 0.02 . 1 . . . . . . . . 4713 1 81 . 1 1 16 16 GLY HA2 H 1 3.545 0.02 . 1 . . . . . . . . 4713 1 82 . 1 1 17 17 LYS H H 1 7.651 0.02 . 1 . . . . . . . . 4713 1 83 . 1 1 17 17 LYS HA H 1 4.468 0.02 . 1 . . . . . . . . 4713 1 84 . 1 1 17 17 LYS HB2 H 1 1.880 0.02 . 2 . . . . . . . . 4713 1 85 . 1 1 17 17 LYS HB3 H 1 1.696 0.02 . 2 . . . . . . . . 4713 1 86 . 1 1 17 17 LYS HG2 H 1 1.402 0.02 . 2 . . . . . . . . 4713 1 87 . 1 1 17 17 LYS HG3 H 1 1.283 0.02 . 2 . . . . . . . . 4713 1 88 . 1 1 17 17 LYS HD2 H 1 1.166 0.02 . 1 . . . . . . . . 4713 1 89 . 1 1 17 17 LYS HE2 H 1 2.612 0.02 . 2 . . . . . . . . 4713 1 90 . 1 1 17 17 LYS HE3 H 1 2.475 0.02 . 2 . . . . . . . . 4713 1 91 . 1 1 18 18 THR H H 1 8.704 0.02 . 1 . . . . . . . . 4713 1 92 . 1 1 18 18 THR HA H 1 4.860 0.02 . 1 . . . . . . . . 4713 1 93 . 1 1 18 18 THR HB H 1 3.871 0.02 . 1 . . . . . . . . 4713 1 94 . 1 1 18 18 THR HG21 H 1 0.809 0.02 . 1 . . . . . . . . 4713 1 95 . 1 1 18 18 THR HG22 H 1 0.809 0.02 . 1 . . . . . . . . 4713 1 96 . 1 1 18 18 THR HG23 H 1 0.809 0.02 . 1 . . . . . . . . 4713 1 97 . 1 1 19 19 TYR H H 1 8.653 0.02 . 1 . . . . . . . . 4713 1 98 . 1 1 19 19 TYR HA H 1 4.720 0.02 . 1 . . . . . . . . 4713 1 99 . 1 1 19 19 TYR HB2 H 1 2.569 0.02 . 2 . . . . . . . . 4713 1 100 . 1 1 19 19 TYR HB3 H 1 2.407 0.02 . 2 . . . . . . . . 4713 1 101 . 1 1 19 19 TYR HD1 H 1 6.737 0.02 . 1 . . . . . . . . 4713 1 102 . 1 1 19 19 TYR HD2 H 1 6.737 0.02 . 1 . . . . . . . . 4713 1 103 . 1 1 19 19 TYR HE1 H 1 6.256 0.02 . 1 . . . . . . . . 4713 1 104 . 1 1 19 19 TYR HE2 H 1 6.256 0.02 . 1 . . . . . . . . 4713 1 105 . 1 1 20 20 TYR H H 1 8.898 0.02 . 1 . . . . . . . . 4713 1 106 . 1 1 20 20 TYR HA H 1 5.339 0.02 . 1 . . . . . . . . 4713 1 107 . 1 1 20 20 TYR HB2 H 1 2.947 0.02 . 2 . . . . . . . . 4713 1 108 . 1 1 20 20 TYR HB3 H 1 2.746 0.02 . 2 . . . . . . . . 4713 1 109 . 1 1 20 20 TYR HD1 H 1 6.593 0.02 . 1 . . . . . . . . 4713 1 110 . 1 1 20 20 TYR HD2 H 1 6.593 0.02 . 1 . . . . . . . . 4713 1 111 . 1 1 20 20 TYR HE1 H 1 6.723 0.02 . 1 . . . . . . . . 4713 1 112 . 1 1 20 20 TYR HE2 H 1 6.723 0.02 . 1 . . . . . . . . 4713 1 113 . 1 1 21 21 TYR H H 1 9.218 0.02 . 1 . . . . . . . . 4713 1 114 . 1 1 21 21 TYR HA H 1 5.480 0.02 . 1 . . . . . . . . 4713 1 115 . 1 1 21 21 TYR HB2 H 1 2.770 0.02 . 2 . . . . . . . . 4713 1 116 . 1 1 21 21 TYR HB3 H 1 2.648 0.02 . 2 . . . . . . . . 4713 1 117 . 1 1 21 21 TYR HD1 H 1 6.683 0.02 . 1 . . . . . . . . 4713 1 118 . 1 1 21 21 TYR HD2 H 1 6.683 0.02 . 1 . . . . . . . . 4713 1 119 . 1 1 21 21 TYR HE1 H 1 6.358 0.02 . 1 . . . . . . . . 4713 1 120 . 1 1 21 21 TYR HE2 H 1 6.358 0.02 . 1 . . . . . . . . 4713 1 121 . 1 1 22 22 ASN H H 1 7.763 0.02 . 1 . . . . . . . . 4713 1 122 . 1 1 22 22 ASN HA H 1 4.258 0.02 . 1 . . . . . . . . 4713 1 123 . 1 1 22 22 ASN HB2 H 1 1.947 0.02 . 2 . . . . . . . . 4713 1 124 . 1 1 22 22 ASN HB3 H 1 -0.528 0.02 . 2 . . . . . . . . 4713 1 125 . 1 1 23 23 HIS H H 1 8.335 0.02 . 1 . . . . . . . . 4713 1 126 . 1 1 23 23 HIS HA H 1 3.921 0.02 . 1 . . . . . . . . 4713 1 127 . 1 1 23 23 HIS HB2 H 1 3.111 0.02 . 2 . . . . . . . . 4713 1 128 . 1 1 23 23 HIS HB3 H 1 3.045 0.02 . 2 . . . . . . . . 4713 1 129 . 1 1 23 23 HIS HD2 H 1 6.795 0.02 . 1 . . . . . . . . 4713 1 130 . 1 1 23 23 HIS HE1 H 1 7.026 0.02 . 1 . . . . . . . . 4713 1 131 . 1 1 24 24 ASN H H 1 8.211 0.02 . 1 . . . . . . . . 4713 1 132 . 1 1 24 24 ASN HA H 1 4.503 0.02 . 1 . . . . . . . . 4713 1 133 . 1 1 24 24 ASN HB2 H 1 2.787 0.02 . 2 . . . . . . . . 4713 1 134 . 1 1 24 24 ASN HB3 H 1 2.632 0.02 . 2 . . . . . . . . 4713 1 135 . 1 1 24 24 ASN HD21 H 1 7.542 0.02 . 1 . . . . . . . . 4713 1 136 . 1 1 24 24 ASN HD22 H 1 6.973 0.02 . 1 . . . . . . . . 4713 1 137 . 1 1 25 25 THR H H 1 7.466 0.02 . 1 . . . . . . . . 4713 1 138 . 1 1 25 25 THR HA H 1 4.093 0.02 . 1 . . . . . . . . 4713 1 139 . 1 1 25 25 THR HB H 1 4.172 0.02 . 1 . . . . . . . . 4713 1 140 . 1 1 25 25 THR HG21 H 1 0.871 0.02 . 1 . . . . . . . . 4713 1 141 . 1 1 25 25 THR HG22 H 1 0.871 0.02 . 1 . . . . . . . . 4713 1 142 . 1 1 25 25 THR HG23 H 1 0.871 0.02 . 1 . . . . . . . . 4713 1 143 . 1 1 26 26 LYS H H 1 7.760 0.02 . 1 . . . . . . . . 4713 1 144 . 1 1 26 26 LYS HA H 1 3.627 0.02 . 1 . . . . . . . . 4713 1 145 . 1 1 26 26 LYS HB2 H 1 2.013 0.02 . 2 . . . . . . . . 4713 1 146 . 1 1 26 26 LYS HB3 H 1 1.866 0.02 . 2 . . . . . . . . 4713 1 147 . 1 1 26 26 LYS HG2 H 1 1.555 0.02 . 2 . . . . . . . . 4713 1 148 . 1 1 26 26 LYS HG3 H 1 1.175 0.02 . 2 . . . . . . . . 4713 1 149 . 1 1 26 26 LYS HD2 H 1 1.177 0.02 . 1 . . . . . . . . 4713 1 150 . 1 1 26 26 LYS HE2 H 1 2.913 0.02 . 1 . . . . . . . . 4713 1 151 . 1 1 27 27 THR H H 1 6.779 0.02 . 1 . . . . . . . . 4713 1 152 . 1 1 27 27 THR HA H 1 4.392 0.02 . 1 . . . . . . . . 4713 1 153 . 1 1 27 27 THR HB H 1 3.639 0.02 . 1 . . . . . . . . 4713 1 154 . 1 1 27 27 THR HG21 H 1 1.095 0.02 . 1 . . . . . . . . 4713 1 155 . 1 1 27 27 THR HG22 H 1 1.095 0.02 . 1 . . . . . . . . 4713 1 156 . 1 1 27 27 THR HG23 H 1 1.095 0.02 . 1 . . . . . . . . 4713 1 157 . 1 1 28 28 SER H H 1 8.486 0.02 . 1 . . . . . . . . 4713 1 158 . 1 1 28 28 SER HA H 1 5.821 0.02 . 1 . . . . . . . . 4713 1 159 . 1 1 28 28 SER HB2 H 1 3.570 0.02 . 2 . . . . . . . . 4713 1 160 . 1 1 28 28 SER HB3 H 1 3.440 0.02 . 2 . . . . . . . . 4713 1 161 . 1 1 29 29 THR H H 1 9.387 0.02 . 1 . . . . . . . . 4713 1 162 . 1 1 29 29 THR HA H 1 4.779 0.02 . 1 . . . . . . . . 4713 1 163 . 1 1 29 29 THR HB H 1 4.236 0.02 . 1 . . . . . . . . 4713 1 164 . 1 1 29 29 THR HG21 H 1 1.351 0.02 . 1 . . . . . . . . 4713 1 165 . 1 1 29 29 THR HG22 H 1 1.351 0.02 . 1 . . . . . . . . 4713 1 166 . 1 1 29 29 THR HG23 H 1 1.351 0.02 . 1 . . . . . . . . 4713 1 167 . 1 1 30 30 TRP H H 1 8.483 0.02 . 1 . . . . . . . . 4713 1 168 . 1 1 30 30 TRP HA H 1 5.136 0.02 . 1 . . . . . . . . 4713 1 169 . 1 1 30 30 TRP HB2 H 1 3.651 0.02 . 2 . . . . . . . . 4713 1 170 . 1 1 30 30 TRP HB3 H 1 3.158 0.02 . 2 . . . . . . . . 4713 1 171 . 1 1 30 30 TRP HD1 H 1 7.298 0.02 . 1 . . . . . . . . 4713 1 172 . 1 1 30 30 TRP HE3 H 1 8.034 0.02 . 1 . . . . . . . . 4713 1 173 . 1 1 30 30 TRP HZ3 H 1 6.737 0.02 . 1 . . . . . . . . 4713 1 174 . 1 1 31 31 THR H H 1 8.490 0.02 . 1 . . . . . . . . 4713 1 175 . 1 1 31 31 THR HA H 1 4.169 0.02 . 1 . . . . . . . . 4713 1 176 . 1 1 31 31 THR HB H 1 3.861 0.02 . 1 . . . . . . . . 4713 1 177 . 1 1 31 31 THR HG21 H 1 1.020 0.02 . 1 . . . . . . . . 4713 1 178 . 1 1 31 31 THR HG22 H 1 1.020 0.02 . 1 . . . . . . . . 4713 1 179 . 1 1 31 31 THR HG23 H 1 1.020 0.02 . 1 . . . . . . . . 4713 1 180 . 1 1 32 32 ASP H H 1 8.290 0.02 . 1 . . . . . . . . 4713 1 181 . 1 1 32 32 ASP HA H 1 2.974 0.02 . 1 . . . . . . . . 4713 1 182 . 1 1 32 32 ASP HB2 H 1 2.521 0.02 . 2 . . . . . . . . 4713 1 183 . 1 1 32 32 ASP HB3 H 1 2.385 0.02 . 2 . . . . . . . . 4713 1 184 . 1 1 33 33 PRO HA H 1 3.892 0.02 . 1 . . . . . . . . 4713 1 185 . 1 1 33 33 PRO HB2 H 1 0.628 0.02 . 2 . . . . . . . . 4713 1 186 . 1 1 33 33 PRO HB3 H 1 0.374 0.02 . 2 . . . . . . . . 4713 1 187 . 1 1 33 33 PRO HG2 H 1 0.936 0.02 . 2 . . . . . . . . 4713 1 188 . 1 1 33 33 PRO HG3 H 1 0.041 0.02 . 2 . . . . . . . . 4713 1 189 . 1 1 33 33 PRO HD2 H 1 2.493 0.02 . 2 . . . . . . . . 4713 1 190 . 1 1 33 33 PRO HD3 H 1 2.387 0.02 . 2 . . . . . . . . 4713 1 191 . 1 1 34 34 ARG H H 1 8.217 0.02 . 1 . . . . . . . . 4713 1 192 . 1 1 34 34 ARG HA H 1 3.787 0.02 . 1 . . . . . . . . 4713 1 193 . 1 1 34 34 ARG HB2 H 1 1.732 0.02 . 2 . . . . . . . . 4713 1 194 . 1 1 34 34 ARG HB3 H 1 1.624 0.02 . 2 . . . . . . . . 4713 1 195 . 1 1 34 34 ARG HG2 H 1 1.495 0.02 . 2 . . . . . . . . 4713 1 196 . 1 1 34 34 ARG HG3 H 1 1.163 0.02 . 2 . . . . . . . . 4713 1 197 . 1 1 34 34 ARG HD2 H 1 2.921 0.02 . 1 . . . . . . . . 4713 1 198 . 1 1 35 35 MET H H 1 7.631 0.02 . 1 . . . . . . . . 4713 1 199 . 1 1 35 35 MET HA H 1 4.324 0.02 . 1 . . . . . . . . 4713 1 200 . 1 1 35 35 MET HB2 H 1 1.997 0.02 . 2 . . . . . . . . 4713 1 201 . 1 1 35 35 MET HB3 H 1 1.854 0.02 . 2 . . . . . . . . 4713 1 202 . 1 1 35 35 MET HG2 H 1 2.431 0.02 . 2 . . . . . . . . 4713 1 203 . 1 1 35 35 MET HG3 H 1 2.302 0.02 . 2 . . . . . . . . 4713 1 204 . 1 1 36 36 SER H H 1 7.817 0.02 . 1 . . . . . . . . 4713 1 205 . 1 1 36 36 SER HA H 1 4.345 0.02 . 1 . . . . . . . . 4713 1 206 . 1 1 36 36 SER HB2 H 1 3.745 0.02 . 2 . . . . . . . . 4713 1 207 . 1 1 36 36 SER HB3 H 1 3.688 0.02 . 2 . . . . . . . . 4713 1 208 . 1 1 37 37 SER H H 1 7.829 0.02 . 1 . . . . . . . . 4713 1 209 . 1 1 37 37 SER HA H 1 4.182 0.02 . 1 . . . . . . . . 4713 1 210 . 1 1 37 37 SER HB2 H 1 3.753 0.02 . 1 . . . . . . . . 4713 1 stop_ save_