################################### # 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 7273 _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 DQF-COSY 1 $sample_1 . 7273 1 2 '2D TOCSY' 1 $sample_1 . 7273 1 3 '2D NOESY' 1 $sample_1 . 7273 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 ASP HA H 1 4.023 0.01 . . . . . . . . . . . 7273 1 2 . 1 1 2 2 GLY H H 1 8.413 0.01 . . . . . . . . . . . 7273 1 3 . 1 1 2 2 GLY HA2 H 1 3.976 0.01 . . . . . . . . . . . 7273 1 4 . 1 1 2 2 GLY HA3 H 1 3.532 0.01 . . . . . . . . . . . 7273 1 5 . 1 1 3 3 GLU H H 1 8.372 0.01 . . . . . . . . . . . 7273 1 6 . 1 1 3 3 GLU HA H 1 4.367 0.01 . . . . . . . . . . . 7273 1 7 . 1 1 3 3 GLU HB2 H 1 2.112 0.01 . . . . . . . . . . . 7273 1 8 . 1 1 3 3 GLU HB3 H 1 2.019 0.01 . . . . . . . . . . . 7273 1 9 . 1 1 3 3 GLU HG2 H 1 2.475 0.01 . . . . . . . . . . . 7273 1 10 . 1 1 3 3 GLU HG3 H 1 2.475 0.01 . . . . . . . . . . . 7273 1 11 . 1 1 4 4 CYS H H 1 7.976 0.01 . . . . . . . . . . . 7273 1 12 . 1 1 4 4 CYS HA H 1 4.923 0.01 . . . . . . . . . . . 7273 1 13 . 1 1 4 4 CYS HB2 H 1 2.995 0.01 . . . . . . . . . . . 7273 1 14 . 1 1 4 4 CYS HB3 H 1 2.904 0.01 . . . . . . . . . . . 7273 1 15 . 1 1 5 5 GLY H H 1 9.175 0.01 . . . . . . . . . . . 7273 1 16 . 1 1 5 5 GLY HA2 H 1 3.910 0.01 . . . . . . . . . . . 7273 1 17 . 1 1 5 5 GLY HA3 H 1 3.502 0.01 . . . . . . . . . . . 7273 1 18 . 1 1 6 6 GLY H H 1 5.407 0.01 . . . . . . . . . . . 7273 1 19 . 1 1 6 6 GLY HA2 H 1 3.480 0.01 . . . . . . . . . . . 7273 1 20 . 1 1 6 6 GLY HA3 H 1 2.901 0.01 . . . . . . . . . . . 7273 1 21 . 1 1 7 7 PHE H H 1 7.701 0.01 . . . . . . . . . . . 7273 1 22 . 1 1 7 7 PHE HA H 1 3.618 0.01 . . . . . . . . . . . 7273 1 23 . 1 1 7 7 PHE HB2 H 1 2.702 0.01 . . . . . . . . . . . 7273 1 24 . 1 1 7 7 PHE HB3 H 1 2.810 0.01 . . . . . . . . . . . 7273 1 25 . 1 1 7 7 PHE HD1 H 1 6.957 0.01 . . . . . . . . . . . 7273 1 26 . 1 1 7 7 PHE HD2 H 1 6.957 0.01 . . . . . . . . . . . 7273 1 27 . 1 1 7 7 PHE HE1 H 1 7.297 0.01 . . . . . . . . . . . 7273 1 28 . 1 1 7 7 PHE HE2 H 1 7.297 0.01 . . . . . . . . . . . 7273 1 29 . 1 1 7 7 PHE HZ H 1 6.570 0.01 . . . . . . . . . . . 7273 1 30 . 1 1 8 8 TRP H H 1 8.853 0.01 . . . . . . . . . . . 7273 1 31 . 1 1 8 8 TRP HA H 1 5.707 0.01 . . . . . . . . . . . 7273 1 32 . 1 1 8 8 TRP HB2 H 1 3.616 0.01 . . . . . . . . . . . 7273 1 33 . 1 1 8 8 TRP HB3 H 1 2.957 0.01 . . . . . . . . . . . 7273 1 34 . 1 1 8 8 TRP HD1 H 1 7.544 0.01 . . . . . . . . . . . 7273 1 35 . 1 1 8 8 TRP HE1 H 1 10.261 0.01 . . . . . . . . . . . 7273 1 36 . 1 1 8 8 TRP HE3 H 1 7.479 0.01 . . . . . . . . . . . 7273 1 37 . 1 1 8 8 TRP HZ2 H 1 7.559 0.01 . . . . . . . . . . . 7273 1 38 . 1 1 8 8 TRP HZ3 H 1 7.200 0.01 . . . . . . . . . . . 7273 1 39 . 1 1 8 8 TRP HH2 H 1 7.312 0.01 . . . . . . . . . . . 7273 1 40 . 1 1 9 9 TRP H H 1 8.602 0.01 . . . . . . . . . . . 7273 1 41 . 1 1 9 9 TRP HA H 1 4.523 0.01 . . . . . . . . . . . 7273 1 42 . 1 1 9 9 TRP HB2 H 1 3.277 0.01 . . . . . . . . . . . 7273 1 43 . 1 1 9 9 TRP HB3 H 1 3.139 0.01 . . . . . . . . . . . 7273 1 44 . 1 1 9 9 TRP HD1 H 1 7.567 0.01 . . . . . . . . . . . 7273 1 45 . 1 1 9 9 TRP HE1 H 1 10.168 0.01 . . . . . . . . . . . 7273 1 46 . 1 1 9 9 TRP HE3 H 1 7.890 0.01 . . . . . . . . . . . 7273 1 47 . 1 1 9 9 TRP HZ2 H 1 7.303 0.01 . . . . . . . . . . . 7273 1 48 . 1 1 9 9 TRP HZ3 H 1 7.235 0.01 . . . . . . . . . . . 7273 1 49 . 1 1 9 9 TRP HH2 H 1 7.113 0.01 . . . . . . . . . . . 7273 1 50 . 1 1 10 10 LYS H H 1 8.380 0.01 . . . . . . . . . . . 7273 1 51 . 1 1 10 10 LYS HA H 1 4.722 0.01 . . . . . . . . . . . 7273 1 52 . 1 1 10 10 LYS HB2 H 1 1.795 0.01 . . . . . . . . . . . 7273 1 53 . 1 1 10 10 LYS HB3 H 1 1.763 0.01 . . . . . . . . . . . 7273 1 54 . 1 1 10 10 LYS HG2 H 1 1.887 0.01 . . . . . . . . . . . 7273 1 55 . 1 1 10 10 LYS HG3 H 1 1.629 0.01 . . . . . . . . . . . 7273 1 56 . 1 1 10 10 LYS HD2 H 1 1.795 0.01 . . . . . . . . . . . 7273 1 57 . 1 1 10 10 LYS HD3 H 1 1.795 0.01 . . . . . . . . . . . 7273 1 58 . 1 1 10 10 LYS HE2 H 1 3.095 0.01 . . . . . . . . . . . 7273 1 59 . 1 1 10 10 LYS HE3 H 1 3.095 0.01 . . . . . . . . . . . 7273 1 60 . 1 1 10 10 LYS HZ1 H 1 7.595 0.01 . . . . . . . . . . . 7273 1 61 . 1 1 10 10 LYS HZ2 H 1 7.595 0.01 . . . . . . . . . . . 7273 1 62 . 1 1 10 10 LYS HZ3 H 1 7.595 0.01 . . . . . . . . . . . 7273 1 63 . 1 1 11 11 CYS H H 1 8.415 0.01 . . . . . . . . . . . 7273 1 64 . 1 1 11 11 CYS HA H 1 4.869 0.01 . . . . . . . . . . . 7273 1 65 . 1 1 11 11 CYS HB2 H 1 3.423 0.01 . . . . . . . . . . . 7273 1 66 . 1 1 11 11 CYS HB3 H 1 3.255 0.01 . . . . . . . . . . . 7273 1 67 . 1 1 12 12 GLY H H 1 8.887 0.01 . . . . . . . . . . . 7273 1 68 . 1 1 12 12 GLY HA2 H 1 4.524 0.01 . . . . . . . . . . . 7273 1 69 . 1 1 12 12 GLY HA3 H 1 3.714 0.01 . . . . . . . . . . . 7273 1 70 . 1 1 13 13 ARG H H 1 8.522 0.01 . . . . . . . . . . . 7273 1 71 . 1 1 13 13 ARG HA H 1 4.106 0.01 . . . . . . . . . . . 7273 1 72 . 1 1 13 13 ARG HB2 H 1 1.712 0.01 . . . . . . . . . . . 7273 1 73 . 1 1 13 13 ARG HB3 H 1 1.712 0.01 . . . . . . . . . . . 7273 1 74 . 1 1 13 13 ARG HG2 H 1 1.808 0.01 . . . . . . . . . . . 7273 1 75 . 1 1 13 13 ARG HG3 H 1 1.613 0.01 . . . . . . . . . . . 7273 1 76 . 1 1 13 13 ARG HD2 H 1 3.230 0.01 . . . . . . . . . . . 7273 1 77 . 1 1 13 13 ARG HD3 H 1 3.230 0.01 . . . . . . . . . . . 7273 1 78 . 1 1 13 13 ARG HE H 1 7.200 0.01 . . . . . . . . . . . 7273 1 79 . 1 1 14 14 GLY H H 1 9.101 0.01 . . . . . . . . . . . 7273 1 80 . 1 1 14 14 GLY HA2 H 1 4.177 0.01 . . . . . . . . . . . 7273 1 81 . 1 1 14 14 GLY HA3 H 1 3.782 0.01 . . . . . . . . . . . 7273 1 82 . 1 1 15 15 LYS H H 1 7.883 0.01 . . . . . . . . . . . 7273 1 83 . 1 1 15 15 LYS HA H 1 4.893 0.01 . . . . . . . . . . . 7273 1 84 . 1 1 15 15 LYS HB2 H 1 1.926 0.01 . . . . . . . . . . . 7273 1 85 . 1 1 15 15 LYS HB3 H 1 1.750 0.01 . . . . . . . . . . . 7273 1 86 . 1 1 15 15 LYS HG2 H 1 1.247 0.01 . . . . . . . . . . . 7273 1 87 . 1 1 15 15 LYS HG3 H 1 1.135 0.01 . . . . . . . . . . . 7273 1 88 . 1 1 15 15 LYS HD2 H 1 1.521 0.01 . . . . . . . . . . . 7273 1 89 . 1 1 15 15 LYS HD3 H 1 1.351 0.01 . . . . . . . . . . . 7273 1 90 . 1 1 15 15 LYS HE2 H 1 2.893 0.01 . . . . . . . . . . . 7273 1 91 . 1 1 15 15 LYS HE3 H 1 2.893 0.01 . . . . . . . . . . . 7273 1 92 . 1 1 15 15 LYS HZ1 H 1 7.618 0.01 . . . . . . . . . . . 7273 1 93 . 1 1 15 15 LYS HZ2 H 1 7.618 0.01 . . . . . . . . . . . 7273 1 94 . 1 1 15 15 LYS HZ3 H 1 7.618 0.01 . . . . . . . . . . . 7273 1 95 . 1 1 16 16 PRO HA H 1 4.670 0.01 . . . . . . . . . . . 7273 1 96 . 1 1 16 16 PRO HB2 H 1 2.361 0.01 . . . . . . . . . . . 7273 1 97 . 1 1 16 16 PRO HB3 H 1 2.185 0.01 . . . . . . . . . . . 7273 1 98 . 1 1 16 16 PRO HG2 H 1 1.923 0.01 . . . . . . . . . . . 7273 1 99 . 1 1 16 16 PRO HG3 H 1 1.733 0.01 . . . . . . . . . . . 7273 1 100 . 1 1 16 16 PRO HD2 H 1 3.922 0.01 . . . . . . . . . . . 7273 1 101 . 1 1 16 16 PRO HD3 H 1 3.715 0.01 . . . . . . . . . . . 7273 1 102 . 1 1 17 17 PRO HA H 1 4.596 0.01 . . . . . . . . . . . 7273 1 103 . 1 1 17 17 PRO HB2 H 1 2.381 0.01 . . . . . . . . . . . 7273 1 104 . 1 1 17 17 PRO HB3 H 1 2.082 0.01 . . . . . . . . . . . 7273 1 105 . 1 1 17 17 PRO HG2 H 1 1.968 0.01 . . . . . . . . . . . 7273 1 106 . 1 1 17 17 PRO HG3 H 1 1.733 0.01 . . . . . . . . . . . 7273 1 107 . 1 1 17 17 PRO HD2 H 1 3.775 0.01 . . . . . . . . . . . 7273 1 108 . 1 1 17 17 PRO HD3 H 1 3.711 0.01 . . . . . . . . . . . 7273 1 109 . 1 1 18 18 CYS H H 1 8.860 0.01 . . . . . . . . . . . 7273 1 110 . 1 1 18 18 CYS HA H 1 4.878 0.01 . . . . . . . . . . . 7273 1 111 . 1 1 18 18 CYS HB2 H 1 3.093 0.01 . . . . . . . . . . . 7273 1 112 . 1 1 18 18 CYS HB3 H 1 2.581 0.01 . . . . . . . . . . . 7273 1 113 . 1 1 19 19 CYS H H 1 9.960 0.01 . . . . . . . . . . . 7273 1 114 . 1 1 19 19 CYS HA H 1 4.485 0.01 . . . . . . . . . . . 7273 1 115 . 1 1 19 19 CYS HB2 H 1 3.409 0.01 . . . . . . . . . . . 7273 1 116 . 1 1 19 19 CYS HB3 H 1 2.410 0.01 . . . . . . . . . . . 7273 1 117 . 1 1 20 20 LYS H H 1 8.328 0.01 . . . . . . . . . . . 7273 1 118 . 1 1 20 20 LYS HA H 1 4.145 0.01 . . . . . . . . . . . 7273 1 119 . 1 1 20 20 LYS HB2 H 1 1.849 0.01 . . . . . . . . . . . 7273 1 120 . 1 1 20 20 LYS HB3 H 1 1.714 0.01 . . . . . . . . . . . 7273 1 121 . 1 1 20 20 LYS HG2 H 1 1.512 0.01 . . . . . . . . . . . 7273 1 122 . 1 1 20 20 LYS HG3 H 1 1.431 0.01 . . . . . . . . . . . 7273 1 123 . 1 1 20 20 LYS HD2 H 1 1.714 0.01 . . . . . . . . . . . 7273 1 124 . 1 1 20 20 LYS HD3 H 1 1.714 0.01 . . . . . . . . . . . 7273 1 125 . 1 1 20 20 LYS HE2 H 1 3.004 0.01 . . . . . . . . . . . 7273 1 126 . 1 1 20 20 LYS HE3 H 1 3.004 0.01 . . . . . . . . . . . 7273 1 127 . 1 1 20 20 LYS HZ1 H 1 7.517 0.01 . . . . . . . . . . . 7273 1 128 . 1 1 20 20 LYS HZ2 H 1 7.517 0.01 . . . . . . . . . . . 7273 1 129 . 1 1 20 20 LYS HZ3 H 1 7.517 0.01 . . . . . . . . . . . 7273 1 130 . 1 1 21 21 GLY H H 1 8.722 0.01 . . . . . . . . . . . 7273 1 131 . 1 1 21 21 GLY HA2 H 1 4.099 0.01 . . . . . . . . . . . 7273 1 132 . 1 1 21 21 GLY HA3 H 1 3.432 0.01 . . . . . . . . . . . 7273 1 133 . 1 1 22 22 TYR H H 1 8.386 0.01 . . . . . . . . . . . 7273 1 134 . 1 1 22 22 TYR HA H 1 5.183 0.01 . . . . . . . . . . . 7273 1 135 . 1 1 22 22 TYR HB2 H 1 3.095 0.01 . . . . . . . . . . . 7273 1 136 . 1 1 22 22 TYR HD1 H 1 6.681 0.01 . . . . . . . . . . . 7273 1 137 . 1 1 22 22 TYR HD2 H 1 6.681 0.01 . . . . . . . . . . . 7273 1 138 . 1 1 22 22 TYR HE1 H 1 6.555 0.01 . . . . . . . . . . . 7273 1 139 . 1 1 22 22 TYR HE2 H 1 6.555 0.01 . . . . . . . . . . . 7273 1 140 . 1 1 23 23 ALA H H 1 9.382 0.01 . . . . . . . . . . . 7273 1 141 . 1 1 23 23 ALA HA H 1 4.738 0.01 . . . . . . . . . . . 7273 1 142 . 1 1 23 23 ALA HB1 H 1 1.397 0.01 . . . . . . . . . . . 7273 1 143 . 1 1 23 23 ALA HB2 H 1 1.397 0.01 . . . . . . . . . . . 7273 1 144 . 1 1 23 23 ALA HB3 H 1 1.397 0.01 . . . . . . . . . . . 7273 1 145 . 1 1 24 24 CYS H H 1 9.249 0.01 . . . . . . . . . . . 7273 1 146 . 1 1 24 24 CYS HA H 1 4.734 0.01 . . . . . . . . . . . 7273 1 147 . 1 1 24 24 CYS HB2 H 1 3.164 0.01 . . . . . . . . . . . 7273 1 148 . 1 1 24 24 CYS HB3 H 1 2.902 0.01 . . . . . . . . . . . 7273 1 149 . 1 1 25 25 SER H H 1 8.602 0.01 . . . . . . . . . . . 7273 1 150 . 1 1 25 25 SER HA H 1 4.514 0.01 . . . . . . . . . . . 7273 1 151 . 1 1 25 25 SER HB2 H 1 4.252 0.01 . . . . . . . . . . . 7273 1 152 . 1 1 25 25 SER HB3 H 1 3.963 0.01 . . . . . . . . . . . 7273 1 153 . 1 1 26 26 LYS H H 1 9.100 0.01 . . . . . . . . . . . 7273 1 154 . 1 1 26 26 LYS HA H 1 4.060 0.01 . . . . . . . . . . . 7273 1 155 . 1 1 26 26 LYS HB2 H 1 1.835 0.01 . . . . . . . . . . . 7273 1 156 . 1 1 26 26 LYS HB3 H 1 1.835 0.01 . . . . . . . . . . . 7273 1 157 . 1 1 26 26 LYS HG2 H 1 1.514 0.01 . . . . . . . . . . . 7273 1 158 . 1 1 26 26 LYS HG3 H 1 1.442 0.01 . . . . . . . . . . . 7273 1 159 . 1 1 26 26 LYS HD2 H 1 1.689 0.01 . . . . . . . . . . . 7273 1 160 . 1 1 26 26 LYS HD3 H 1 1.689 0.01 . . . . . . . . . . . 7273 1 161 . 1 1 26 26 LYS HE2 H 1 3.002 0.01 . . . . . . . . . . . 7273 1 162 . 1 1 26 26 LYS HE3 H 1 3.004 0.01 . . . . . . . . . . . 7273 1 163 . 1 1 26 26 LYS HZ1 H 1 7.517 0.01 . . . . . . . . . . . 7273 1 164 . 1 1 26 26 LYS HZ2 H 1 7.517 0.01 . . . . . . . . . . . 7273 1 165 . 1 1 26 26 LYS HZ3 H 1 7.517 0.01 . . . . . . . . . . . 7273 1 166 . 1 1 27 27 THR H H 1 7.620 0.01 . . . . . . . . . . . 7273 1 167 . 1 1 27 27 THR HA H 1 3.703 0.01 . . . . . . . . . . . 7273 1 168 . 1 1 27 27 THR HB H 1 3.175 0.01 . . . . . . . . . . . 7273 1 169 . 1 1 27 27 THR HG21 H 1 0.265 0.01 . . . . . . . . . . . 7273 1 170 . 1 1 27 27 THR HG22 H 1 0.265 0.01 . . . . . . . . . . . 7273 1 171 . 1 1 27 27 THR HG23 H 1 0.265 0.01 . . . . . . . . . . . 7273 1 172 . 1 1 28 28 TRP H H 1 7.236 0.01 . . . . . . . . . . . 7273 1 173 . 1 1 28 28 TRP HA H 1 4.371 0.01 . . . . . . . . . . . 7273 1 174 . 1 1 28 28 TRP HB2 H 1 1.488 0.01 . . . . . . . . . . . 7273 1 175 . 1 1 28 28 TRP HB3 H 1 1.488 0.01 . . . . . . . . . . . 7273 1 176 . 1 1 28 28 TRP HD1 H 1 7.005 0.01 . . . . . . . . . . . 7273 1 177 . 1 1 28 28 TRP HE1 H 1 10.062 0.01 . . . . . . . . . . . 7273 1 178 . 1 1 28 28 TRP HE3 H 1 7.303 0.01 . . . . . . . . . . . 7273 1 179 . 1 1 28 28 TRP HZ2 H 1 7.488 0.01 . . . . . . . . . . . 7273 1 180 . 1 1 28 28 TRP HZ3 H 1 6.948 0.01 . . . . . . . . . . . 7273 1 181 . 1 1 28 28 TRP HH2 H 1 7.116 0.01 . . . . . . . . . . . 7273 1 182 . 1 1 29 29 GLY H H 1 8.039 0.01 . . . . . . . . . . . 7273 1 183 . 1 1 29 29 GLY HA2 H 1 3.952 0.01 . . . . . . . . . . . 7273 1 184 . 1 1 29 29 GLY HA3 H 1 3.770 0.01 . . . . . . . . . . . 7273 1 185 . 1 1 30 30 TRP H H 1 6.893 0.01 . . . . . . . . . . . 7273 1 186 . 1 1 30 30 TRP HA H 1 5.697 0.01 . . . . . . . . . . . 7273 1 187 . 1 1 30 30 TRP HB2 H 1 3.038 0.01 . . . . . . . . . . . 7273 1 188 . 1 1 30 30 TRP HB3 H 1 2.720 0.01 . . . . . . . . . . . 7273 1 189 . 1 1 30 30 TRP HD1 H 1 6.022 0.01 . . . . . . . . . . . 7273 1 190 . 1 1 30 30 TRP HE1 H 1 9.904 0.01 . . . . . . . . . . . 7273 1 191 . 1 1 30 30 TRP HE3 H 1 6.931 0.01 . . . . . . . . . . . 7273 1 192 . 1 1 30 30 TRP HZ2 H 1 6.587 0.01 . . . . . . . . . . . 7273 1 193 . 1 1 30 30 TRP HZ3 H 1 6.608 0.01 . . . . . . . . . . . 7273 1 194 . 1 1 30 30 TRP HH2 H 1 6.722 0.01 . . . . . . . . . . . 7273 1 195 . 1 1 31 31 CYS H H 1 9.174 0.01 . . . . . . . . . . . 7273 1 196 . 1 1 31 31 CYS HA H 1 4.991 0.01 . . . . . . . . . . . 7273 1 197 . 1 1 31 31 CYS HB2 H 1 3.501 0.01 . . . . . . . . . . . 7273 1 198 . 1 1 31 31 CYS HB3 H 1 2.544 0.01 . . . . . . . . . . . 7273 1 199 . 1 1 32 32 ALA H H 1 9.282 0.01 . . . . . . . . . . . 7273 1 200 . 1 1 32 32 ALA HA H 1 4.981 0.01 . . . . . . . . . . . 7273 1 201 . 1 1 32 32 ALA HB1 H 1 1.777 0.01 . . . . . . . . . . . 7273 1 202 . 1 1 32 32 ALA HB2 H 1 1.777 0.01 . . . . . . . . . . . 7273 1 203 . 1 1 32 32 ALA HB3 H 1 1.777 0.01 . . . . . . . . . . . 7273 1 204 . 1 1 33 33 VAL H H 1 8.245 0.01 . . . . . . . . . . . 7273 1 205 . 1 1 33 33 VAL HA H 1 3.850 0.01 . . . . . . . . . . . 7273 1 206 . 1 1 33 33 VAL HB H 1 1.977 0.01 . . . . . . . . . . . 7273 1 207 . 1 1 33 33 VAL HG11 H 1 0.889 0.01 . . . . . . . . . . . 7273 1 208 . 1 1 33 33 VAL HG12 H 1 0.889 0.01 . . . . . . . . . . . 7273 1 209 . 1 1 33 33 VAL HG13 H 1 0.889 0.01 . . . . . . . . . . . 7273 1 210 . 1 1 33 33 VAL HG21 H 1 0.889 0.01 . . . . . . . . . . . 7273 1 211 . 1 1 33 33 VAL HG22 H 1 0.889 0.01 . . . . . . . . . . . 7273 1 212 . 1 1 33 33 VAL HG23 H 1 0.889 0.01 . . . . . . . . . . . 7273 1 213 . 1 1 34 34 GLU H H 1 8.255 0.01 . . . . . . . . . . . 7273 1 214 . 1 1 34 34 GLU HA H 1 4.380 0.01 . . . . . . . . . . . 7273 1 215 . 1 1 34 34 GLU HB2 H 1 1.901 0.01 . . . . . . . . . . . 7273 1 216 . 1 1 34 34 GLU HB3 H 1 1.811 0.01 . . . . . . . . . . . 7273 1 217 . 1 1 34 34 GLU HG2 H 1 2.340 0.01 . . . . . . . . . . . 7273 1 218 . 1 1 34 34 GLU HG3 H 1 2.340 0.01 . . . . . . . . . . . 7273 1 219 . 1 1 35 35 ALA H H 1 8.117 0.01 . . . . . . . . . . . 7273 1 220 . 1 1 35 35 ALA HA H 1 4.520 0.01 . . . . . . . . . . . 7273 1 221 . 1 1 35 35 ALA HB1 H 1 1.284 0.01 . . . . . . . . . . . 7273 1 222 . 1 1 35 35 ALA HB2 H 1 1.284 0.01 . . . . . . . . . . . 7273 1 223 . 1 1 35 35 ALA HB3 H 1 1.284 0.01 . . . . . . . . . . . 7273 1 224 . 1 1 36 36 PRO HA H 1 4.370 0.01 . . . . . . . . . . . 7273 1 225 . 1 1 36 36 PRO HB2 H 1 2.266 0.01 . . . . . . . . . . . 7273 1 226 . 1 1 36 36 PRO HB3 H 1 1.999 0.01 . . . . . . . . . . . 7273 1 227 . 1 1 36 36 PRO HG2 H 1 2.022 0.01 . . . . . . . . . . . 7273 1 228 . 1 1 36 36 PRO HG3 H 1 2.022 0.01 . . . . . . . . . . . 7273 1 229 . 1 1 36 36 PRO HD2 H 1 3.731 0.01 . . . . . . . . . . . 7273 1 230 . 1 1 36 36 PRO HD3 H 1 3.641 0.01 . . . . . . . . . . . 7273 1 stop_ save_