################################### # 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26790 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-1H TOCSY' . . . 26790 1 2 '2D 1H-1H NOESY' . . . 26790 1 3 '2D DQF-COSY' . . . 26790 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 PCA HA H 1 4.676 . . . . . . . 1 PCA HA . 26790 1 2 . 1 1 1 1 PCA HB3 H 1 2.003 . . . . . . . 1 PCA HB2 . 26790 1 3 . 1 1 1 1 PCA HB2 H 1 2.589 . . . . . . . 1 PCA HB3 . 26790 1 4 . 1 1 1 1 PCA HG3 H 1 2.420 . . . . . . . 1 PCA HG2 . 26790 1 5 . 1 1 1 1 PCA HG2 H 1 2.420 . . . . . . . 1 PCA HG3 . 26790 1 6 . 1 1 2 2 PRO HA H 1 4.410 . . . . . . . 2 PRO HA . 26790 1 7 . 1 1 2 2 PRO HB3 H 1 1.816 . . . . . . . 2 PRO HB2 . 26790 1 8 . 1 1 2 2 PRO HB2 H 1 2.229 . . . . . . . 2 PRO HB3 . 26790 1 9 . 1 1 2 2 PRO HG3 H 1 1.989 . . . . . . . 2 PRO HG2 . 26790 1 10 . 1 1 2 2 PRO HG2 H 1 1.989 . . . . . . . 2 PRO HG3 . 26790 1 11 . 1 1 2 2 PRO HD3 H 1 3.601 . . . . . . . 2 PRO HD2 . 26790 1 12 . 1 1 2 2 PRO HD2 H 1 3.689 . . . . . . . 2 PRO HD3 . 26790 1 13 . 1 1 3 3 PHE H H 1 8.178 . . . . . . . 3 PHE HN . 26790 1 14 . 1 1 3 3 PHE HA H 1 4.609 . . . . . . . 3 PHE HA . 26790 1 15 . 1 1 3 3 PHE HB3 H 1 2.990 . . . . . . . 3 PHE HB2 . 26790 1 16 . 1 1 3 3 PHE HB2 H 1 3.124 . . . . . . . 3 PHE HB3 . 26790 1 17 . 1 1 3 3 PHE HD1 H 1 7.208 . . . . . . . 3 PHE HD1 . 26790 1 18 . 1 1 3 3 PHE HD2 H 1 7.208 . . . . . . . 3 PHE HD2 . 26790 1 19 . 1 1 3 3 PHE HE1 H 1 7.300 . . . . . . . 3 PHE HE1 . 26790 1 20 . 1 1 3 3 PHE HE2 H 1 7.300 . . . . . . . 3 PHE HE2 . 26790 1 21 . 1 1 3 3 PHE HZ H 1 7.332 . . . . . . . 3 PHE HZ . 26790 1 22 . 1 1 4 4 ILE H H 1 7.916 . . . . . . . 4 ILE HN . 26790 1 23 . 1 1 4 4 ILE HA H 1 4.371 . . . . . . . 4 ILE HA . 26790 1 24 . 1 1 4 4 ILE HB H 1 1.726 . . . . . . . 4 ILE HB . 26790 1 25 . 1 1 4 4 ILE HG12 H 1 1.081 . . . . . . . 4 ILE HG12 . 26790 1 26 . 1 1 4 4 ILE HG13 H 1 1.418 . . . . . . . 4 ILE HG13 . 26790 1 27 . 1 1 4 4 ILE HG21 H 1 0.828 . . . . . . . 4 ILE HG21 . 26790 1 28 . 1 1 4 4 ILE HG22 H 1 0.828 . . . . . . . 4 ILE HG21 . 26790 1 29 . 1 1 4 4 ILE HG23 H 1 0.828 . . . . . . . 4 ILE HG21 . 26790 1 30 . 1 1 4 4 ILE HD11 H 1 0.828 . . . . . . . 4 ILE HD11 . 26790 1 31 . 1 1 4 4 ILE HD12 H 1 0.828 . . . . . . . 4 ILE HD11 . 26790 1 32 . 1 1 4 4 ILE HD13 H 1 0.828 . . . . . . . 4 ILE HD11 . 26790 1 33 . 1 1 5 5 PRO HA H 1 4.279 . . . . . . . 5 PRO HA . 26790 1 34 . 1 1 5 5 PRO HB3 H 1 1.872 . . . . . . . 5 PRO HB2 . 26790 1 35 . 1 1 5 5 PRO HB2 H 1 2.287 . . . . . . . 5 PRO HB3 . 26790 1 36 . 1 1 5 5 PRO HG3 H 1 1.992 . . . . . . . 5 PRO HG2 . 26790 1 37 . 1 1 5 5 PRO HG2 H 1 1.991 . . . . . . . 5 PRO HG3 . 26790 1 38 . 1 1 5 5 PRO HD3 H 1 3.627 . . . . . . . 5 PRO HD2 . 26790 1 39 . 1 1 5 5 PRO HD2 H 1 3.670 . . . . . . . 5 PRO HD3 . 26790 1 40 . 1 1 6 6 ARG H H 1 8.318 . . . . . . . 6 ARG HN . 26790 1 41 . 1 1 6 6 ARG HA H 1 4.589 . . . . . . . 6 ARG HA . 26790 1 42 . 1 1 6 6 ARG HB3 H 1 1.837 . . . . . . . 6 ARG HB2 . 26790 1 43 . 1 1 6 6 ARG HB2 H 1 1.839 . . . . . . . 6 ARG HB3 . 26790 1 44 . 1 1 6 6 ARG HG3 H 1 1.717 . . . . . . . 6 ARG HG2 . 26790 1 45 . 1 1 6 6 ARG HG2 H 1 1.717 . . . . . . . 6 ARG HG3 . 26790 1 46 . 1 1 6 6 ARG HD3 H 1 3.222 . . . . . . . 6 ARG HD2 . 26790 1 47 . 1 1 6 6 ARG HD2 H 1 3.222 . . . . . . . 6 ARG HD3 . 26790 1 48 . 1 1 6 6 ARG HE H 1 7.193 . . . . . . . 6 ARG HE . 26790 1 49 . 1 1 7 7 PRO HA H 1 4.430 . . . . . . . 7 PRO HA . 26790 1 50 . 1 1 7 7 PRO HB3 H 1 1.878 . . . . . . . 7 PRO HB2 . 26790 1 51 . 1 1 7 7 PRO HB2 H 1 2.279 . . . . . . . 7 PRO HB3 . 26790 1 52 . 1 1 7 7 PRO HG3 H 1 2.012 . . . . . . . 7 PRO HG2 . 26790 1 53 . 1 1 7 7 PRO HG2 H 1 2.009 . . . . . . . 7 PRO HG3 . 26790 1 54 . 1 1 7 7 PRO HD3 H 1 3.611 . . . . . . . 7 PRO HD2 . 26790 1 55 . 1 1 7 7 PRO HD2 H 1 3.800 . . . . . . . 7 PRO HD3 . 26790 1 56 . 1 1 8 8 ILE H H 1 8.240 . . . . . . . 8 ILE HN . 26790 1 57 . 1 1 8 8 ILE HA H 1 4.085 . . . . . . . 8 ILE HA . 26790 1 58 . 1 1 8 8 ILE HB H 1 1.808 . . . . . . . 8 ILE HB . 26790 1 59 . 1 1 8 8 ILE HG12 H 1 1.210 . . . . . . . 8 ILE HG12 . 26790 1 60 . 1 1 8 8 ILE HG13 H 1 1.500 . . . . . . . 8 ILE HG13 . 26790 1 61 . 1 1 8 8 ILE HG21 H 1 0.884 . . . . . . . 8 ILE HG21 . 26790 1 62 . 1 1 8 8 ILE HG22 H 1 0.884 . . . . . . . 8 ILE HG21 . 26790 1 63 . 1 1 8 8 ILE HG23 H 1 0.884 . . . . . . . 8 ILE HG21 . 26790 1 64 . 1 1 8 8 ILE HD11 H 1 0.884 . . . . . . . 8 ILE HD11 . 26790 1 65 . 1 1 8 8 ILE HD12 H 1 0.884 . . . . . . . 8 ILE HD11 . 26790 1 66 . 1 1 8 8 ILE HD13 H 1 0.884 . . . . . . . 8 ILE HD11 . 26790 1 67 . 1 1 9 9 ASP H H 1 8.323 . . . . . . . 9 ASP HN . 26790 1 68 . 1 1 9 9 ASP HA H 1 4.768 . . . . . . . 9 ASP HA . 26790 1 69 . 1 1 9 9 ASP HB3 H 1 2.660 . . . . . . . 9 ASP HB2 . 26790 1 70 . 1 1 9 9 ASP HB2 H 1 2.868 . . . . . . . 9 ASP HB3 . 26790 1 71 . 1 1 10 10 THR H H 1 8.356 . . . . . . . 10 THR HN . 26790 1 72 . 1 1 10 10 THR HA H 1 3.974 . . . . . . . 10 THR HA . 26790 1 73 . 1 1 10 10 THR HB H 1 4.316 . . . . . . . 10 THR HB . 26790 1 74 . 1 1 10 10 THR HG21 H 1 1.239 . . . . . . . 10 THR HG21 . 26790 1 75 . 1 1 10 10 THR HG22 H 1 1.239 . . . . . . . 10 THR HG21 . 26790 1 76 . 1 1 10 10 THR HG23 H 1 1.239 . . . . . . . 10 THR HG21 . 26790 1 77 . 1 1 11 11 CYS H H 1 8.443 . . . . . . . 11 CYS HN . 26790 1 78 . 1 1 11 11 CYS HA H 1 4.356 . . . . . . . 11 CYS HA . 26790 1 79 . 1 1 11 11 CYS HB3 H 1 3.078 . . . . . . . 11 CYS HB2 . 26790 1 80 . 1 1 11 11 CYS HB2 H 1 3.078 . . . . . . . 11 CYS HB3 . 26790 1 81 . 1 1 12 12 ARG H H 1 8.024 . . . . . . . 12 ARG HN . 26790 1 82 . 1 1 12 12 ARG HA H 1 4.204 . . . . . . . 12 ARG HA . 26790 1 83 . 1 1 12 12 ARG HB3 H 1 1.841 . . . . . . . 12 ARG HB2 . 26790 1 84 . 1 1 12 12 ARG HB2 H 1 1.838 . . . . . . . 12 ARG HB3 . 26790 1 85 . 1 1 12 12 ARG HG3 H 1 1.660 . . . . . . . 12 ARG HG2 . 26790 1 86 . 1 1 12 12 ARG HG2 H 1 1.722 . . . . . . . 12 ARG HG3 . 26790 1 87 . 1 1 12 12 ARG HD3 H 1 3.229 . . . . . . . 12 ARG HD2 . 26790 1 88 . 1 1 12 12 ARG HD2 H 1 3.276 . . . . . . . 12 ARG HD3 . 26790 1 89 . 1 1 12 12 ARG HE H 1 7.294 . . . . . . . 12 ARG HE . 26790 1 90 . 1 1 13 13 LEU H H 1 7.884 . . . . . . . 13 LEU HN . 26790 1 91 . 1 1 13 13 LEU HA H 1 4.133 . . . . . . . 13 LEU HA . 26790 1 92 . 1 1 13 13 LEU HB3 H 1 1.637 . . . . . . . 13 LEU HB2 . 26790 1 93 . 1 1 13 13 LEU HB2 H 1 1.750 . . . . . . . 13 LEU HB3 . 26790 1 94 . 1 1 13 13 LEU HG H 1 1.637 . . . . . . . 13 LEU HG . 26790 1 95 . 1 1 13 13 LEU HD11 H 1 0.890 . . . . . . . 13 LEU HD11 . 26790 1 96 . 1 1 13 13 LEU HD12 H 1 0.890 . . . . . . . 13 LEU HD12 . 26790 1 97 . 1 1 13 13 LEU HD13 H 1 0.890 . . . . . . . 13 LEU HD13 . 26790 1 98 . 1 1 13 13 LEU HD21 H 1 0.890 . . . . . . . 13 LEU HD21 . 26790 1 99 . 1 1 13 13 LEU HD22 H 1 0.890 . . . . . . . 13 LEU HD22 . 26790 1 100 . 1 1 13 13 LEU HD23 H 1 0.890 . . . . . . . 13 LEU HD23 . 26790 1 101 . 1 1 14 14 ARG H H 1 7.239 . . . . . . . 14 ARG HN . 26790 1 102 . 1 1 14 14 ARG HA H 1 4.353 . . . . . . . 14 ARG HA . 26790 1 103 . 1 1 14 14 ARG HB3 H 1 1.599 . . . . . . . 14 ARG HB2 . 26790 1 104 . 1 1 14 14 ARG HB2 H 1 2.056 . . . . . . . 14 ARG HB3 . 26790 1 105 . 1 1 14 14 ARG HG3 H 1 1.741 . . . . . . . 14 ARG HG2 . 26790 1 106 . 1 1 14 14 ARG HG2 H 1 1.741 . . . . . . . 14 ARG HG3 . 26790 1 107 . 1 1 14 14 ARG HD3 H 1 3.109 . . . . . . . 14 ARG HD2 . 26790 1 108 . 1 1 14 14 ARG HD2 H 1 3.109 . . . . . . . 14 ARG HD3 . 26790 1 109 . 1 1 14 14 ARG HE H 1 6.998 . . . . . . . 14 ARG HE . 26790 1 110 . 1 1 15 15 ASN H H 1 8.005 . . . . . . . 15 ASN HN . 26790 1 111 . 1 1 15 15 ASN HA H 1 4.413 . . . . . . . 15 ASN HA . 26790 1 112 . 1 1 15 15 ASN HB3 H 1 2.578 . . . . . . . 15 ASN HB2 . 26790 1 113 . 1 1 15 15 ASN HB2 H 1 3.161 . . . . . . . 15 ASN HB3 . 26790 1 114 . 1 1 15 15 ASN HD21 H 1 7.531 . . . . . . . 15 ASN HD21 . 26790 1 115 . 1 1 15 15 ASN HD22 H 1 6.883 . . . . . . . 15 ASN HD22 . 26790 1 116 . 1 1 16 16 GLY H H 1 8.007 . . . . . . . 16 GLY HN . 26790 1 117 . 1 1 16 16 GLY HA3 H 1 3.233 . . . . . . . 16 GLY HA2 . 26790 1 118 . 1 1 16 16 GLY HA2 H 1 4.507 . . . . . . . 16 GLY HA3 . 26790 1 119 . 1 1 17 17 ILE H H 1 8.677 . . . . . . . 17 ILE HN . 26790 1 120 . 1 1 17 17 ILE HA H 1 4.088 . . . . . . . 17 ILE HA . 26790 1 121 . 1 1 17 17 ILE HB H 1 1.480 . . . . . . . 17 ILE HB . 26790 1 122 . 1 1 17 17 ILE HG12 H 1 1.060 . . . . . . . 17 ILE HG12 . 26790 1 123 . 1 1 17 17 ILE HG13 H 1 1.060 . . . . . . . 17 ILE HG13 . 26790 1 124 . 1 1 17 17 ILE HG21 H 1 0.810 . . . . . . . 17 ILE HG21 . 26790 1 125 . 1 1 17 17 ILE HG22 H 1 0.810 . . . . . . . 17 ILE HG21 . 26790 1 126 . 1 1 17 17 ILE HG23 H 1 0.810 . . . . . . . 17 ILE HG21 . 26790 1 127 . 1 1 17 17 ILE HD11 H 1 0.338 . . . . . . . 17 ILE HD11 . 26790 1 128 . 1 1 17 17 ILE HD12 H 1 0.338 . . . . . . . 17 ILE HD11 . 26790 1 129 . 1 1 17 17 ILE HD13 H 1 0.338 . . . . . . . 17 ILE HD11 . 26790 1 130 . 1 1 18 18 CYS H H 1 8.571 . . . . . . . 18 CYS HN . 26790 1 131 . 1 1 18 18 CYS HA H 1 5.223 . . . . . . . 18 CYS HA . 26790 1 132 . 1 1 18 18 CYS HB3 H 1 2.843 . . . . . . . 18 CYS HB2 . 26790 1 133 . 1 1 18 18 CYS HB2 H 1 2.843 . . . . . . . 18 CYS HB3 . 26790 1 134 . 1 1 19 19 PHE H H 1 9.815 . . . . . . . 19 PHE HN . 26790 1 135 . 1 1 19 19 PHE HA H 1 4.816 . . . . . . . 19 PHE HA . 26790 1 136 . 1 1 19 19 PHE HB3 H 1 2.816 . . . . . . . 19 PHE HB2 . 26790 1 137 . 1 1 19 19 PHE HB2 H 1 3.077 . . . . . . . 19 PHE HB3 . 26790 1 138 . 1 1 19 19 PHE HD1 H 1 7.150 . . . . . . . 19 PHE HD1 . 26790 1 139 . 1 1 19 19 PHE HD2 H 1 7.150 . . . . . . . 19 PHE HD2 . 26790 1 140 . 1 1 19 19 PHE HE1 H 1 6.811 . . . . . . . 19 PHE HE1 . 26790 1 141 . 1 1 19 19 PHE HE2 H 1 6.811 . . . . . . . 19 PHE HE2 . 26790 1 142 . 1 1 19 19 PHE HZ H 1 6.477 . . . . . . . 19 PHE HZ . 26790 1 143 . 1 1 20 20 PRO HA H 1 4.679 . . . . . . . 20 PRO HA . 26790 1 144 . 1 1 20 20 PRO HB3 H 1 2.167 . . . . . . . 20 PRO HB2 . 26790 1 145 . 1 1 20 20 PRO HB2 H 1 2.167 . . . . . . . 20 PRO HB3 . 26790 1 146 . 1 1 20 20 PRO HG3 H 1 2.067 . . . . . . . 20 PRO HG2 . 26790 1 147 . 1 1 20 20 PRO HG2 H 1 2.067 . . . . . . . 20 PRO HG3 . 26790 1 148 . 1 1 20 20 PRO HD3 H 1 3.706 . . . . . . . 20 PRO HD2 . 26790 1 149 . 1 1 20 20 PRO HD2 H 1 3.781 . . . . . . . 20 PRO HD3 . 26790 1 150 . 1 1 21 21 GLY H H 1 8.001 . . . . . . . 21 GLY HN . 26790 1 151 . 1 1 21 21 GLY HA3 H 1 3.887 . . . . . . . 21 GLY HA2 . 26790 1 152 . 1 1 21 21 GLY HA2 H 1 4.212 . . . . . . . 21 GLY HA3 . 26790 1 153 . 1 1 22 22 ILE H H 1 7.837 . . . . . . . 22 ILE HN . 26790 1 154 . 1 1 22 22 ILE HA H 1 4.424 . . . . . . . 22 ILE HA . 26790 1 155 . 1 1 22 22 ILE HB H 1 1.931 . . . . . . . 22 ILE HB . 26790 1 156 . 1 1 22 22 ILE HG12 H 1 1.165 . . . . . . . 22 ILE HG12 . 26790 1 157 . 1 1 22 22 ILE HG13 H 1 1.313 . . . . . . . 22 ILE HG13 . 26790 1 158 . 1 1 22 22 ILE HG21 H 1 0.941 . . . . . . . 22 ILE HG21 . 26790 1 159 . 1 1 22 22 ILE HG22 H 1 0.941 . . . . . . . 22 ILE HG21 . 26790 1 160 . 1 1 22 22 ILE HG23 H 1 0.941 . . . . . . . 22 ILE HG21 . 26790 1 161 . 1 1 22 22 ILE HD11 H 1 0.849 . . . . . . . 22 ILE HD11 . 26790 1 162 . 1 1 22 22 ILE HD12 H 1 0.849 . . . . . . . 22 ILE HD11 . 26790 1 163 . 1 1 22 22 ILE HD13 H 1 0.849 . . . . . . . 22 ILE HD11 . 26790 1 164 . 1 1 23 23 CYS H H 1 8.653 . . . . . . . 23 CYS HN . 26790 1 165 . 1 1 23 23 CYS HA H 1 4.231 . . . . . . . 23 CYS HA . 26790 1 166 . 1 1 23 23 CYS HB3 H 1 2.477 . . . . . . . 23 CYS HB2 . 26790 1 167 . 1 1 23 23 CYS HB2 H 1 2.758 . . . . . . . 23 CYS HB3 . 26790 1 168 . 1 1 24 24 ARG H H 1 7.975 . . . . . . . 24 ARG HN . 26790 1 169 . 1 1 24 24 ARG HA H 1 4.563 . . . . . . . 24 ARG HA . 26790 1 170 . 1 1 24 24 ARG HB3 H 1 1.814 . . . . . . . 24 ARG HB2 . 26790 1 171 . 1 1 24 24 ARG HB2 H 1 1.814 . . . . . . . 24 ARG HB3 . 26790 1 172 . 1 1 24 24 ARG HG3 H 1 1.597 . . . . . . . 24 ARG HG2 . 26790 1 173 . 1 1 24 24 ARG HG2 H 1 1.597 . . . . . . . 24 ARG HG3 . 26790 1 174 . 1 1 24 24 ARG HD3 H 1 3.183 . . . . . . . 24 ARG HD2 . 26790 1 175 . 1 1 24 24 ARG HD2 H 1 3.183 . . . . . . . 24 ARG HD3 . 26790 1 176 . 1 1 24 24 ARG HE H 1 7.190 . . . . . . . 24 ARG HE . 26790 1 177 . 1 1 25 25 ARG HA H 1 4.291 . . . . . . . 25 ARG HA . 26790 1 178 . 1 1 25 25 ARG HB3 H 1 1.743 . . . . . . . 25 ARG HB2 . 26790 1 179 . 1 1 25 25 ARG HB2 H 1 1.743 . . . . . . . 25 ARG HB3 . 26790 1 180 . 1 1 25 25 ARG HG3 H 1 1.567 . . . . . . . 25 ARG HG2 . 26790 1 181 . 1 1 25 25 ARG HG2 H 1 1.567 . . . . . . . 25 ARG HG3 . 26790 1 182 . 1 1 25 25 ARG HD3 H 1 3.091 . . . . . . . 25 ARG HD2 . 26790 1 183 . 1 1 25 25 ARG HD2 H 1 3.091 . . . . . . . 25 ARG HD3 . 26790 1 184 . 1 1 25 25 ARG HE H 1 7.134 . . . . . . . 25 ARG HE . 26790 1 185 . 1 1 26 26 PRO HA H 1 4.448 . . . . . . . 26 PRO HA . 26790 1 186 . 1 1 26 26 PRO HB3 H 1 2.096 . . . . . . . 26 PRO HB2 . 26790 1 187 . 1 1 26 26 PRO HB2 H 1 2.288 . . . . . . . 26 PRO HB3 . 26790 1 188 . 1 1 26 26 PRO HG3 H 1 1.079 . . . . . . . 26 PRO HG2 . 26790 1 189 . 1 1 26 26 PRO HG2 H 1 2.097 . . . . . . . 26 PRO HG3 . 26790 1 190 . 1 1 26 26 PRO HD3 H 1 3.510 . . . . . . . 26 PRO HD2 . 26790 1 191 . 1 1 26 26 PRO HD2 H 1 3.511 . . . . . . . 26 PRO HD3 . 26790 1 192 . 1 1 27 27 TYR H H 1 9.335 . . . . . . . 27 TYR HN . 26790 1 193 . 1 1 27 27 TYR HA H 1 5.053 . . . . . . . 27 TYR HA . 26790 1 194 . 1 1 27 27 TYR HB3 H 1 2.679 . . . . . . . 27 TYR HB2 . 26790 1 195 . 1 1 27 27 TYR HB2 H 1 3.036 . . . . . . . 27 TYR HB3 . 26790 1 196 . 1 1 27 27 TYR HD1 H 1 6.935 . . . . . . . 27 TYR HD1 . 26790 1 197 . 1 1 27 27 TYR HD2 H 1 6.935 . . . . . . . 27 TYR HD2 . 26790 1 198 . 1 1 27 27 TYR HE1 H 1 6.873 . . . . . . . 27 TYR HE1 . 26790 1 199 . 1 1 27 27 TYR HE2 H 1 6.873 . . . . . . . 27 TYR HE2 . 26790 1 200 . 1 1 28 28 TYR H H 1 9.094 . . . . . . . 28 TYR HN . 26790 1 201 . 1 1 28 28 TYR HA H 1 4.893 . . . . . . . 28 TYR HA . 26790 1 202 . 1 1 28 28 TYR HB3 H 1 2.964 . . . . . . . 28 TYR HB2 . 26790 1 203 . 1 1 28 28 TYR HB2 H 1 3.077 . . . . . . . 28 TYR HB3 . 26790 1 204 . 1 1 28 28 TYR HD1 H 1 6.993 . . . . . . . 28 TYR HD1 . 26790 1 205 . 1 1 28 28 TYR HD2 H 1 6.993 . . . . . . . 28 TYR HD2 . 26790 1 206 . 1 1 28 28 TYR HE1 H 1 6.586 . . . . . . . 28 TYR HE1 . 26790 1 207 . 1 1 28 28 TYR HE2 H 1 6.586 . . . . . . . 28 TYR HE2 . 26790 1 208 . 1 1 29 29 TRP H H 1 8.868 . . . . . . . 29 TRP HN . 26790 1 209 . 1 1 29 29 TRP HA H 1 4.695 . . . . . . . 29 TRP HA . 26790 1 210 . 1 1 29 29 TRP HB3 H 1 3.342 . . . . . . . 29 TRP HB2 . 26790 1 211 . 1 1 29 29 TRP HB2 H 1 3.342 . . . . . . . 29 TRP HB3 . 26790 1 212 . 1 1 29 29 TRP HD1 H 1 7.428 . . . . . . . 29 TRP HD1 . 26790 1 213 . 1 1 29 29 TRP HE1 H 1 10.207 . . . . . . . 29 TRP HE1 . 26790 1 214 . 1 1 29 29 TRP HE3 H 1 7.465 . . . . . . . 29 TRP HE3 . 26790 1 215 . 1 1 29 29 TRP HZ2 H 1 7.356 . . . . . . . 29 TRP HZ2 . 26790 1 216 . 1 1 29 29 TRP HZ3 H 1 7.075 . . . . . . . 29 TRP HZ3 . 26790 1 217 . 1 1 29 29 TRP HH2 H 1 7.186 . . . . . . . 29 TRP HH2 . 26790 1 218 . 1 1 30 30 ILE H H 1 8.622 . . . . . . . 30 ILE HN . 26790 1 219 . 1 1 30 30 ILE HA H 1 4.561 . . . . . . . 30 ILE HA . 26790 1 220 . 1 1 30 30 ILE HB H 1 1.945 . . . . . . . 30 ILE HB . 26790 1 221 . 1 1 30 30 ILE HG12 H 1 0.831 . . . . . . . 30 ILE HG12 . 26790 1 222 . 1 1 30 30 ILE HG13 H 1 0.831 . . . . . . . 30 ILE HG13 . 26790 1 223 . 1 1 30 30 ILE HG21 H 1 0.605 . . . . . . . 30 ILE HG21 . 26790 1 224 . 1 1 30 30 ILE HG22 H 1 0.605 . . . . . . . 30 ILE HG21 . 26790 1 225 . 1 1 30 30 ILE HG23 H 1 0.605 . . . . . . . 30 ILE HG21 . 26790 1 226 . 1 1 30 30 ILE HD11 H 1 0.511 . . . . . . . 30 ILE HD11 . 26790 1 227 . 1 1 30 30 ILE HD12 H 1 0.511 . . . . . . . 30 ILE HD11 . 26790 1 228 . 1 1 30 30 ILE HD13 H 1 0.511 . . . . . . . 30 ILE HD11 . 26790 1 229 . 1 1 31 31 GLY H H 1 5.909 . . . . . . . 31 GLY HN . 26790 1 230 . 1 1 31 31 GLY HA3 H 1 2.988 . . . . . . . 31 GLY HA2 . 26790 1 231 . 1 1 31 31 GLY HA2 H 1 3.718 . . . . . . . 31 GLY HA3 . 26790 1 232 . 1 1 32 32 THR H H 1 8.264 . . . . . . . 32 THR HN . 26790 1 233 . 1 1 32 32 THR HA H 1 4.955 . . . . . . . 32 THR HA . 26790 1 234 . 1 1 32 32 THR HB H 1 4.322 . . . . . . . 32 THR HB . 26790 1 235 . 1 1 32 32 THR HG21 H 1 1.550 . . . . . . . 32 THR HG21 . 26790 1 236 . 1 1 32 32 THR HG22 H 1 1.550 . . . . . . . 32 THR HG21 . 26790 1 237 . 1 1 32 32 THR HG23 H 1 1.550 . . . . . . . 32 THR HG21 . 26790 1 238 . 1 1 33 33 CYS H H 1 7.829 . . . . . . . 33 CYS HN . 26790 1 239 . 1 1 33 33 CYS HA H 1 4.847 . . . . . . . 33 CYS HA . 26790 1 240 . 1 1 33 33 CYS HB3 H 1 3.267 . . . . . . . 33 CYS HB2 . 26790 1 241 . 1 1 33 33 CYS HB2 H 1 3.509 . . . . . . . 33 CYS HB3 . 26790 1 242 . 1 1 34 34 ASN H H 1 9.219 . . . . . . . 34 ASN HN . 26790 1 243 . 1 1 34 34 ASN HA H 1 4.388 . . . . . . . 34 ASN HA . 26790 1 244 . 1 1 34 34 ASN HB3 H 1 2.592 . . . . . . . 34 ASN HB2 . 26790 1 245 . 1 1 34 34 ASN HB2 H 1 3.024 . . . . . . . 34 ASN HB3 . 26790 1 246 . 1 1 34 34 ASN HD21 H 1 7.499 . . . . . . . 34 ASN HD21 . 26790 1 247 . 1 1 34 34 ASN HD22 H 1 6.884 . . . . . . . 34 ASN HD22 . 26790 1 248 . 1 1 35 35 ASN H H 1 8.954 . . . . . . . 35 ASN HN . 26790 1 249 . 1 1 35 35 ASN HA H 1 4.315 . . . . . . . 35 ASN HA . 26790 1 250 . 1 1 35 35 ASN HB3 H 1 2.819 . . . . . . . 35 ASN HB2 . 26790 1 251 . 1 1 35 35 ASN HB2 H 1 3.051 . . . . . . . 35 ASN HB3 . 26790 1 252 . 1 1 35 35 ASN HD21 H 1 7.556 . . . . . . . 35 ASN HD21 . 26790 1 253 . 1 1 35 35 ASN HD22 H 1 6.879 . . . . . . . 35 ASN HD22 . 26790 1 254 . 1 1 36 36 GLY H H 1 7.799 . . . . . . . 36 GLY HN . 26790 1 255 . 1 1 36 36 GLY HA3 H 1 3.611 . . . . . . . 36 GLY HA2 . 26790 1 256 . 1 1 36 36 GLY HA2 H 1 4.370 . . . . . . . 36 GLY HA3 . 26790 1 257 . 1 1 37 37 ILE H H 1 7.506 . . . . . . . 37 ILE HN . 26790 1 258 . 1 1 37 37 ILE HA H 1 4.392 . . . . . . . 37 ILE HA . 26790 1 259 . 1 1 37 37 ILE HB H 1 2.130 . . . . . . . 37 ILE HB . 26790 1 260 . 1 1 37 37 ILE HG12 H 1 1.371 . . . . . . . 37 ILE HG12 . 26790 1 261 . 1 1 37 37 ILE HG13 H 1 1.502 . . . . . . . 37 ILE HG13 . 26790 1 262 . 1 1 37 37 ILE HG21 H 1 0.978 . . . . . . . 37 ILE HG21 . 26790 1 263 . 1 1 37 37 ILE HG22 H 1 0.978 . . . . . . . 37 ILE HG21 . 26790 1 264 . 1 1 37 37 ILE HG23 H 1 0.978 . . . . . . . 37 ILE HG21 . 26790 1 265 . 1 1 37 37 ILE HD11 H 1 0.978 . . . . . . . 37 ILE HD11 . 26790 1 266 . 1 1 37 37 ILE HD12 H 1 0.978 . . . . . . . 37 ILE HD11 . 26790 1 267 . 1 1 37 37 ILE HD13 H 1 0.978 . . . . . . . 37 ILE HD11 . 26790 1 268 . 1 1 38 38 GLY H H 1 8.245 . . . . . . . 38 GLY HN . 26790 1 269 . 1 1 38 38 GLY HA3 H 1 3.690 . . . . . . . 38 GLY HA2 . 26790 1 270 . 1 1 38 38 GLY HA2 H 1 4.628 . . . . . . . 38 GLY HA3 . 26790 1 271 . 1 1 39 39 SER H H 1 8.964 . . . . . . . 39 SER HN . 26790 1 272 . 1 1 39 39 SER HA H 1 4.842 . . . . . . . 39 SER HA . 26790 1 273 . 1 1 39 39 SER HB3 H 1 3.963 . . . . . . . 39 SER HB2 . 26790 1 274 . 1 1 39 39 SER HB2 H 1 3.963 . . . . . . . 39 SER HB3 . 26790 1 275 . 1 1 39 39 SER HG H 1 5.758 . . . . . . . 39 SER HG . 26790 1 276 . 1 1 40 40 CYS H H 1 8.801 . . . . . . . 40 CYS HN . 26790 1 277 . 1 1 40 40 CYS HA H 1 4.801 . . . . . . . 40 CYS HA . 26790 1 278 . 1 1 40 40 CYS HB3 H 1 2.101 . . . . . . . 40 CYS HB2 . 26790 1 279 . 1 1 40 40 CYS HB2 H 1 2.201 . . . . . . . 40 CYS HB3 . 26790 1 280 . 1 1 41 41 CYS H H 1 9.247 . . . . . . . 41 CYS HN . 26790 1 281 . 1 1 41 41 CYS HA H 1 5.532 . . . . . . . 41 CYS HA . 26790 1 282 . 1 1 41 41 CYS HB3 H 1 2.697 . . . . . . . 41 CYS HB2 . 26790 1 283 . 1 1 41 41 CYS HB2 H 1 3.001 . . . . . . . 41 CYS HB3 . 26790 1 284 . 1 1 42 42 ALA H H 1 9.042 . . . . . . . 42 ALA HN . 26790 1 285 . 1 1 42 42 ALA HA H 1 4.930 . . . . . . . 42 ALA HA . 26790 1 286 . 1 1 42 42 ALA HB1 H 1 1.075 . . . . . . . 42 ALA HB1 . 26790 1 287 . 1 1 42 42 ALA HB2 H 1 1.075 . . . . . . . 42 ALA HB1 . 26790 1 288 . 1 1 42 42 ALA HB3 H 1 1.075 . . . . . . . 42 ALA HB1 . 26790 1 289 . 1 1 43 43 ARG H H 1 8.710 . . . . . . . 43 ARG HN . 26790 1 290 . 1 1 43 43 ARG HA H 1 4.161 . . . . . . . 43 ARG HA . 26790 1 291 . 1 1 43 43 ARG HB3 H 1 1.492 . . . . . . . 43 ARG HB2 . 26790 1 292 . 1 1 43 43 ARG HB2 H 1 1.492 . . . . . . . 43 ARG HB3 . 26790 1 293 . 1 1 43 43 ARG HG3 H 1 1.072 . . . . . . . 43 ARG HG2 . 26790 1 294 . 1 1 43 43 ARG HG2 H 1 1.279 . . . . . . . 43 ARG HG3 . 26790 1 295 . 1 1 43 43 ARG HD3 H 1 2.751 . . . . . . . 43 ARG HD2 . 26790 1 296 . 1 1 43 43 ARG HD2 H 1 2.816 . . . . . . . 43 ARG HD3 . 26790 1 297 . 1 1 43 43 ARG HE H 1 7.071 . . . . . . . 43 ARG HE . 26790 1 298 . 1 1 44 44 GLY H H 1 8.466 . . . . . . . 44 GLY HN . 26790 1 299 . 1 1 44 44 GLY HA3 H 1 3.883 . . . . . . . 44 GLY HA2 . 26790 1 300 . 1 1 44 44 GLY HA2 H 1 4.214 . . . . . . . 44 GLY HA3 . 26790 1 301 . 1 1 45 45 TRP H H 1 8.144 . . . . . . . 45 TRP HN . 26790 1 302 . 1 1 45 45 TRP HA H 1 4.597 . . . . . . . 45 TRP HA . 26790 1 303 . 1 1 45 45 TRP HB3 H 1 3.228 . . . . . . . 45 TRP HB2 . 26790 1 304 . 1 1 45 45 TRP HB2 H 1 3.228 . . . . . . . 45 TRP HB3 . 26790 1 305 . 1 1 45 45 TRP HD1 H 1 7.222 . . . . . . . 45 TRP HD1 . 26790 1 306 . 1 1 45 45 TRP HE1 H 1 10.085 . . . . . . . 45 TRP HE1 . 26790 1 307 . 1 1 45 45 TRP HE3 H 1 7.568 . . . . . . . 45 TRP HE3 . 26790 1 308 . 1 1 45 45 TRP HZ2 H 1 7.469 . . . . . . . 45 TRP HZ2 . 26790 1 309 . 1 1 45 45 TRP HZ3 H 1 7.068 . . . . . . . 45 TRP HZ3 . 26790 1 310 . 1 1 45 45 TRP HH2 H 1 7.201 . . . . . . . 45 TRP HH2 . 26790 1 311 . 1 1 46 46 ARG H H 1 7.972 . . . . . . . 46 ARG HN . 26790 1 312 . 1 1 46 46 ARG HA H 1 4.233 . . . . . . . 46 ARG HA . 26790 1 313 . 1 1 46 46 ARG HB3 H 1 1.551 . . . . . . . 46 ARG HB2 . 26790 1 314 . 1 1 46 46 ARG HB2 H 1 1.739 . . . . . . . 46 ARG HB3 . 26790 1 315 . 1 1 46 46 ARG HG3 H 1 1.353 . . . . . . . 46 ARG HG2 . 26790 1 316 . 1 1 46 46 ARG HG2 H 1 1.363 . . . . . . . 46 ARG HG3 . 26790 1 317 . 1 1 46 46 ARG HD3 H 1 3.028 . . . . . . . 46 ARG HD2 . 26790 1 318 . 1 1 46 46 ARG HD2 H 1 3.028 . . . . . . . 46 ARG HD3 . 26790 1 319 . 1 1 46 46 ARG HE H 1 7.060 . . . . . . . 46 ARG HE . 26790 1 320 . 1 1 47 47 SER H H 1 7.854 . . . . . . . 47 SER HN . 26790 1 321 . 1 1 47 47 SER HA H 1 4.162 . . . . . . . 47 SER HA . 26790 1 322 . 1 1 47 47 SER HB3 H 1 3.809 . . . . . . . 47 SER HB2 . 26790 1 323 . 1 1 47 47 SER HB2 H 1 3.809 . . . . . . . 47 SER HB3 . 26790 1 stop_ save_