################################### # 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 16187 _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 COSY' . . . 16187 1 2 '2D DQF-COSY' . . . 16187 1 3 '2D 1H-1H NOESY' . . . 16187 1 4 '2D 1H-1H TOCSY' . . . 16187 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 TYR HA H 1 4.157 0.003 . 1 . . . . 1 Y HA . 16187 1 2 . 1 1 1 1 TYR HB2 H 1 3.021 0.007 . 2 . . . . 1 Y QB . 16187 1 3 . 1 1 1 1 TYR HB3 H 1 3.021 0.007 . 2 . . . . 1 Y QB . 16187 1 4 . 1 1 1 1 TYR HD1 H 1 7.065 0.009 . 3 . . . . 1 Y QD . 16187 1 5 . 1 1 1 1 TYR HD2 H 1 7.065 0.009 . 3 . . . . 1 Y QD . 16187 1 6 . 1 1 1 1 TYR HE1 H 1 6.823 0.007 . 3 . . . . 1 Y QE . 16187 1 7 . 1 1 1 1 TYR HE2 H 1 6.823 0.007 . 3 . . . . 1 Y QE . 16187 1 8 . 1 1 2 2 ALA H H 1 8.459 0.004 . 1 . . . . 2 A HN . 16187 1 9 . 1 1 2 2 ALA HA H 1 4.342 0.006 . 1 . . . . 2 A HA . 16187 1 10 . 1 1 2 2 ALA HB1 H 1 1.279 0.006 . . . . . . 2 A QB . 16187 1 11 . 1 1 2 2 ALA HB2 H 1 1.279 0.006 . . . . . . 2 A QB . 16187 1 12 . 1 1 2 2 ALA HB3 H 1 1.279 0.006 . . . . . . 2 A QB . 16187 1 13 . 1 1 3 3 PHE H H 1 8.094 0.006 . 1 . . . . 3 F HN . 16187 1 14 . 1 1 3 3 PHE HA H 1 4.570 0.009 . 1 . . . . 3 F HA . 16187 1 15 . 1 1 3 3 PHE HB2 H 1 3.028 0.000 . 2 . . . . 3 F HB2 . 16187 1 16 . 1 1 3 3 PHE HB3 H 1 3.123 0.007 . 2 . . . . 3 F HB3 . 16187 1 17 . 1 1 3 3 PHE HD1 H 1 7.275 0.008 . 3 . . . . 3 F QD . 16187 1 18 . 1 1 3 3 PHE HD2 H 1 7.275 0.008 . 3 . . . . 3 F QD . 16187 1 19 . 1 1 3 3 PHE HE1 H 1 7.344 0.006 . 3 . . . . 3 F QE . 16187 1 20 . 1 1 3 3 PHE HE2 H 1 7.344 0.006 . 3 . . . . 3 F QE . 16187 1 21 . 1 1 4 4 ALA H H 1 8.276 0.010 . 1 . . . . 4 A HN . 16187 1 22 . 1 1 4 4 ALA HA H 1 4.310 0.013 . 1 . . . . 4 A HA . 16187 1 23 . 1 1 4 4 ALA HB1 H 1 1.323 0.004 . . . . . . 4 A QB . 16187 1 24 . 1 1 4 4 ALA HB2 H 1 1.323 0.004 . . . . . . 4 A QB . 16187 1 25 . 1 1 4 4 ALA HB3 H 1 1.323 0.004 . . . . . . 4 A QB . 16187 1 26 . 1 1 5 5 CYS H H 1 8.362 0.011 . 1 . . . . 5 C HN . 16187 1 27 . 1 1 5 5 CYS HA H 1 4.722 0.009 . 1 . . . . 5 C HA . 16187 1 28 . 1 1 5 5 CYS HB2 H 1 2.855 0.009 . 2 . . . . 5 C HB2 . 16187 1 29 . 1 1 5 5 CYS HB3 H 1 2.923 0.006 . 2 . . . . 5 C HB3 . 16187 1 30 . 1 1 6 6 PRO HA H 1 4.412 0.004 . 1 . . . . 6 P HA . 16187 1 31 . 1 1 6 6 PRO HB2 H 1 2.016 0.003 . 2 . . . . 6 P HB2 . 16187 1 32 . 1 1 6 6 PRO HB3 H 1 2.301 0.010 . 2 . . . . 6 P HB3 . 16187 1 33 . 1 1 6 6 PRO HD2 H 1 3.766 0.014 . 2 . . . . 6 P HD2 . 16187 1 34 . 1 1 6 6 PRO HD3 H 1 3.791 0.009 . 2 . . . . 6 P HD3 . 16187 1 35 . 1 1 6 6 PRO HG2 H 1 1.906 0.006 . 2 . . . . 6 P QG . 16187 1 36 . 1 1 6 6 PRO HG3 H 1 1.906 0.006 . 2 . . . . 6 P QG . 16187 1 37 . 1 1 7 7 ALA H H 1 8.376 0.009 . 1 . . . . 7 A HN . 16187 1 38 . 1 1 7 7 ALA HA H 1 4.312 0.008 . 1 . . . . 7 A HA . 16187 1 39 . 1 1 7 7 ALA HB1 H 1 1.378 0.006 . . . . . . 7 A QB . 16187 1 40 . 1 1 7 7 ALA HB2 H 1 1.378 0.006 . . . . . . 7 A QB . 16187 1 41 . 1 1 7 7 ALA HB3 H 1 1.378 0.006 . . . . . . 7 A QB . 16187 1 42 . 1 1 8 8 CYS H H 1 8.370 0.003 . 1 . . . . 8 C HN . 16187 1 43 . 1 1 8 8 CYS HA H 1 4.762 0.010 . 1 . . . . 8 C HA . 16187 1 44 . 1 1 8 8 CYS HB2 H 1 2.890 0.001 . 2 . . . . 8 C HB2 . 16187 1 45 . 1 1 8 8 CYS HB3 H 1 2.917 0.004 . 2 . . . . 8 C HB3 . 16187 1 46 . 1 1 9 9 PRO HA H 1 4.409 0.003 . 1 . . . . 9 P HA . 16187 1 47 . 1 1 9 9 PRO HB2 H 1 2.017 0.005 . 2 . . . . 9 P HB2 . 16187 1 48 . 1 1 9 9 PRO HB3 H 1 2.300 0.006 . 2 . . . . 9 P HB3 . 16187 1 49 . 1 1 9 9 PRO HD2 H 1 3.763 0.007 . 2 . . . . 9 P HD2 . 16187 1 50 . 1 1 9 9 PRO HD3 H 1 3.791 0.005 . 2 . . . . 9 P HD3 . 16187 1 51 . 1 1 9 9 PRO HG2 H 1 1.907 0.000 . 2 . . . . 9 P QG . 16187 1 52 . 1 1 9 9 PRO HG3 H 1 1.907 0.000 . 2 . . . . 9 P QG . 16187 1 53 . 1 1 10 10 LYS H H 1 8.383 0.009 . 1 . . . . 10 K HN . 16187 1 54 . 1 1 10 10 LYS HA H 1 4.220 0.004 . 1 . . . . 10 K HA . 16187 1 55 . 1 1 10 10 LYS HB2 H 1 1.743 0.008 . 2 . . . . 10 K QB . 16187 1 56 . 1 1 10 10 LYS HB3 H 1 1.743 0.008 . 2 . . . . 10 K QB . 16187 1 57 . 1 1 10 10 LYS HD2 H 1 1.695 0.000 . 2 . . . . 10 K QD . 16187 1 58 . 1 1 10 10 LYS HD3 H 1 1.695 0.000 . 2 . . . . 10 K QD . 16187 1 59 . 1 1 10 10 LYS HE2 H 1 2.999 0.000 . 2 . . . . 10 K QE . 16187 1 60 . 1 1 10 10 LYS HE3 H 1 2.999 0.000 . 2 . . . . 10 K QE . 16187 1 61 . 1 1 10 10 LYS HG2 H 1 1.455 0.004 . 2 . . . . 10 K QG . 16187 1 62 . 1 1 10 10 LYS HG3 H 1 1.455 0.004 . 2 . . . . 10 K QG . 16187 1 63 . 1 1 11 11 ARG H H 1 8.266 0.010 . 1 . . . . 11 R HN . 16187 1 64 . 1 1 11 11 ARG HA H 1 4.279 0.007 . 1 . . . . 11 R HA . 16187 1 65 . 1 1 11 11 ARG HB2 H 1 1.696 0.008 . 2 . . . . 11 R QB . 16187 1 66 . 1 1 11 11 ARG HB3 H 1 1.696 0.008 . 2 . . . . 11 R QB . 16187 1 67 . 1 1 11 11 ARG HD2 H 1 3.124 0.003 . 2 . . . . 11 R QD . 16187 1 68 . 1 1 11 11 ARG HD3 H 1 3.124 0.003 . 2 . . . . 11 R QD . 16187 1 69 . 1 1 11 11 ARG HE H 1 7.159 0.006 . 1 . . . . 11 R HE . 16187 1 70 . 1 1 11 11 ARG HG2 H 1 1.455 0.002 . 2 . . . . 11 R QG . 16187 1 71 . 1 1 11 11 ARG HG3 H 1 1.455 0.002 . 2 . . . . 11 R QG . 16187 1 72 . 1 1 12 12 PHE H H 1 8.300 0.010 . 1 . . . . 12 F HN . 16187 1 73 . 1 1 12 12 PHE HA H 1 4.643 0.011 . 1 . . . . 12 F HA . 16187 1 74 . 1 1 12 12 PHE HB2 H 1 3.016 0.008 . 2 . . . . 12 F HB2 . 16187 1 75 . 1 1 12 12 PHE HB3 H 1 3.122 0.006 . 2 . . . . 12 F HB3 . 16187 1 76 . 1 1 12 12 PHE HD1 H 1 7.241 0.007 . 3 . . . . 12 F QD . 16187 1 77 . 1 1 12 12 PHE HD2 H 1 7.241 0.007 . 3 . . . . 12 F QD . 16187 1 78 . 1 1 12 12 PHE HE1 H 1 7.314 0.008 . 3 . . . . 12 F QE . 16187 1 79 . 1 1 12 12 PHE HE2 H 1 7.314 0.008 . 3 . . . . 12 F QE . 16187 1 80 . 1 1 12 12 PHE HZ H 1 7.330 0.005 . 1 . . . . 12 F HZ . 16187 1 81 . 1 1 13 13 MET H H 1 8.232 0.007 . 1 . . . . 13 M HN . 16187 1 82 . 1 1 13 13 MET HA H 1 4.457 0.007 . 1 . . . . 13 M HA . 16187 1 83 . 1 1 13 13 MET HB2 H 1 1.952 0.004 . 2 . . . . 13 M HB2 . 16187 1 84 . 1 1 13 13 MET HB3 H 1 2.033 0.006 . 2 . . . . 13 M HB3 . 16187 1 85 . 1 1 13 13 MET HG2 H 1 2.483 0.007 . 2 . . . . 13 M HG2 . 16187 1 86 . 1 1 13 13 MET HG3 H 1 2.538 0.007 . 2 . . . . 13 M HG3 . 16187 1 87 . 1 1 14 14 ARG H H 1 8.394 0.004 . 1 . . . . 14 R HN . 16187 1 88 . 1 1 14 14 ARG HA H 1 4.319 0.007 . 1 . . . . 14 R HA . 16187 1 89 . 1 1 14 14 ARG HB2 H 1 1.785 0.003 . 2 . . . . 14 R HB2 . 16187 1 90 . 1 1 14 14 ARG HB3 H 1 1.889 0.008 . 2 . . . . 14 R HB3 . 16187 1 91 . 1 1 14 14 ARG HD2 H 1 3.222 0.007 . 2 . . . . 14 R QD . 16187 1 92 . 1 1 14 14 ARG HD3 H 1 3.222 0.007 . 2 . . . . 14 R QD . 16187 1 93 . 1 1 14 14 ARG HE H 1 7.297 0.004 . 1 . . . . 14 R HE . 16187 1 94 . 1 1 14 14 ARG HG2 H 1 1.675 0.008 . 2 . . . . 14 R QG . 16187 1 95 . 1 1 14 14 ARG HG3 H 1 1.675 0.008 . 2 . . . . 14 R QG . 16187 1 96 . 1 1 15 15 SER H H 1 8.448 0.006 . 1 . . . . 15 S HN . 16187 1 97 . 1 1 15 15 SER HA H 1 4.435 0.006 . 1 . . . . 15 S HA . 16187 1 98 . 1 1 15 15 SER HB2 H 1 3.854 0.008 . 2 . . . . 15 S HB2 . 16187 1 99 . 1 1 15 15 SER HB3 H 1 3.927 0.001 . 2 . . . . 15 S HB3 . 16187 1 100 . 1 1 16 16 ASP H H 1 8.541 0.004 . 1 . . . . 16 D HN . 16187 1 101 . 1 1 16 16 ASP HA H 1 4.704 0.006 . 1 . . . . 16 D HA . 16187 1 102 . 1 1 16 16 ASP HB2 H 1 2.850 0.010 . 2 . . . . 16 D QB . 16187 1 103 . 1 1 16 16 ASP HB3 H 1 2.850 0.010 . 2 . . . . 16 D QB . 16187 1 104 . 1 1 17 17 ALA H H 1 8.239 0.003 . 1 . . . . 17 A HN . 16187 1 105 . 1 1 17 17 ALA HA H 1 4.273 0.007 . 1 . . . . 17 A HA . 16187 1 106 . 1 1 17 17 ALA HB1 H 1 1.403 0.009 . . . . . . 17 A QB . 16187 1 107 . 1 1 17 17 ALA HB2 H 1 1.403 0.009 . . . . . . 17 A QB . 16187 1 108 . 1 1 17 17 ALA HB3 H 1 1.403 0.009 . . . . . . 17 A QB . 16187 1 109 . 1 1 18 18 LEU H H 1 8.148 0.006 . 1 . . . . 18 L HN . 16187 1 110 . 1 1 18 18 LEU HA H 1 4.351 0.003 . 1 . . . . 18 L HA . 16187 1 111 . 1 1 18 18 LEU HB2 H 1 1.671 0.012 . 2 . . . . 18 L QB . 16187 1 112 . 1 1 18 18 LEU HB3 H 1 1.671 0.012 . 2 . . . . 18 L QB . 16187 1 113 . 1 1 18 18 LEU HD11 H 1 0.901 0.008 . . . . . . 18 L QD1 . 16187 1 114 . 1 1 18 18 LEU HD12 H 1 0.901 0.008 . . . . . . 18 L QD1 . 16187 1 115 . 1 1 18 18 LEU HD13 H 1 0.901 0.008 . . . . . . 18 L QD1 . 16187 1 116 . 1 1 18 18 LEU HD21 H 1 0.947 0.004 . . . . . . 18 L QD2 . 16187 1 117 . 1 1 18 18 LEU HD22 H 1 0.947 0.004 . . . . . . 18 L QD2 . 16187 1 118 . 1 1 18 18 LEU HD23 H 1 0.947 0.004 . . . . . . 18 L QD2 . 16187 1 119 . 1 1 18 18 LEU HG H 1 1.615 0.010 . 1 . . . . 18 L HG . 16187 1 120 . 1 1 19 19 SER H H 1 8.137 0.002 . 1 . . . . 19 S HN . 16187 1 121 . 1 1 19 19 SER HA H 1 4.383 0.005 . 1 . . . . 19 S HA . 16187 1 122 . 1 1 19 19 SER HB2 H 1 3.845 0.012 . 2 . . . . 19 S HB2 . 16187 1 123 . 1 1 19 19 SER HB3 H 1 3.889 0.014 . 2 . . . . 19 S HB3 . 16187 1 124 . 1 1 20 20 LYS H H 1 8.226 0.004 . 1 . . . . 20 K HN . 16187 1 125 . 1 1 20 20 LYS HA H 1 4.296 0.005 . 1 . . . . 20 K HA . 16187 1 126 . 1 1 20 20 LYS HB2 H 1 1.708 0.001 . 2 . . . . 20 K HB2 . 16187 1 127 . 1 1 20 20 LYS HB3 H 1 1.792 0.012 . 2 . . . . 20 K HB3 . 16187 1 128 . 1 1 20 20 LYS HD2 H 1 1.683 0.002 . 2 . . . . 20 K QD . 16187 1 129 . 1 1 20 20 LYS HD3 H 1 1.683 0.002 . 2 . . . . 20 K QD . 16187 1 130 . 1 1 20 20 LYS HE2 H 1 2.992 0.013 . 2 . . . . 20 K QE . 16187 1 131 . 1 1 20 20 LYS HE3 H 1 2.992 0.013 . 2 . . . . 20 K QE . 16187 1 132 . 1 1 20 20 LYS HG2 H 1 1.377 0.007 . 2 . . . . 20 K HG2 . 16187 1 133 . 1 1 20 20 LYS HG3 H 1 1.443 0.000 . 2 . . . . 20 K HG3 . 16187 1 134 . 1 1 21 21 HIS H H 1 8.491 0.008 . 1 . . . . 21 H HN . 16187 1 135 . 1 1 21 21 HIS HA H 1 4.714 0.008 . 1 . . . . 21 H HA . 16187 1 136 . 1 1 21 21 HIS HB2 H 1 3.155 0.004 . 2 . . . . 21 H HB2 . 16187 1 137 . 1 1 21 21 HIS HB3 H 1 3.249 0.010 . 2 . . . . 21 H HB3 . 16187 1 138 . 1 1 21 21 HIS HD2 H 1 7.281 0.003 . 1 . . . . 21 H HD2 . 16187 1 139 . 1 1 21 21 HIS HE1 H 1 8.622 0.004 . 1 . . . . 21 H HE1 . 16187 1 140 . 1 1 22 22 ILE H H 1 8.215 0.005 . 1 . . . . 22 I HN . 16187 1 141 . 1 1 22 22 ILE HA H 1 4.176 0.004 . 1 . . . . 22 I HA . 16187 1 142 . 1 1 22 22 ILE HB H 1 1.844 0.004 . 1 . . . . 22 I HB . 16187 1 143 . 1 1 22 22 ILE HD11 H 1 0.860 0.007 . . . . . . 22 I QD1 . 16187 1 144 . 1 1 22 22 ILE HD12 H 1 0.860 0.007 . . . . . . 22 I QD1 . 16187 1 145 . 1 1 22 22 ILE HD13 H 1 0.860 0.007 . . . . . . 22 I QD1 . 16187 1 146 . 1 1 22 22 ILE HG12 H 1 1.174 0.001 . 2 . . . . 22 I HG12 . 16187 1 147 . 1 1 22 22 ILE HG13 H 1 1.451 0.004 . 2 . . . . 22 I HG13 . 16187 1 148 . 1 1 22 22 ILE HG21 H 1 0.906 0.005 . . . . . . 22 I QG2 . 16187 1 149 . 1 1 22 22 ILE HG22 H 1 0.906 0.005 . . . . . . 22 I QG2 . 16187 1 150 . 1 1 22 22 ILE HG23 H 1 0.906 0.005 . . . . . . 22 I QG2 . 16187 1 151 . 1 1 23 23 LYS H H 1 8.548 0.005 . 1 . . . . 23 K HN . 16187 1 152 . 1 1 23 23 LYS HA H 1 4.374 0.005 . 1 . . . . 23 K HA . 16187 1 153 . 1 1 23 23 LYS HB2 H 1 1.768 0.007 . 2 . . . . 23 K HB2 . 16187 1 154 . 1 1 23 23 LYS HB3 H 1 1.848 0.006 . 2 . . . . 23 K HB3 . 16187 1 155 . 1 1 23 23 LYS HD2 H 1 1.718 0.000 . 2 . . . . 23 K QD . 16187 1 156 . 1 1 23 23 LYS HD3 H 1 1.718 0.000 . 2 . . . . 23 K QD . 16187 1 157 . 1 1 23 23 LYS HE2 H 1 3.011 0.004 . 2 . . . . 23 K QE . 16187 1 158 . 1 1 23 23 LYS HE3 H 1 3.011 0.004 . 2 . . . . 23 K QE . 16187 1 159 . 1 1 23 23 LYS HG2 H 1 1.405 0.008 . 2 . . . . 23 K HG2 . 16187 1 160 . 1 1 23 23 LYS HG3 H 1 1.471 0.011 . 2 . . . . 23 K HG3 . 16187 1 161 . 1 1 24 24 THR H H 1 8.152 0.003 . 1 . . . . 24 T HN . 16187 1 162 . 1 1 24 24 THR HA H 1 4.286 0.006 . 1 . . . . 24 T HA . 16187 1 163 . 1 1 24 24 THR HB H 1 4.151 0.007 . 1 . . . . 24 T HB . 16187 1 164 . 1 1 24 24 THR HG21 H 1 1.173 0.007 . . . . . . 24 T QG2 . 16187 1 165 . 1 1 24 24 THR HG22 H 1 1.173 0.007 . . . . . . 24 T QG2 . 16187 1 166 . 1 1 24 24 THR HG23 H 1 1.173 0.007 . . . . . . 24 T QG2 . 16187 1 167 . 1 1 25 25 ALA H H 1 8.315 0.006 . 1 . . . . 25 A HN . 16187 1 168 . 1 1 25 25 ALA HA H 1 4.307 0.008 . 1 . . . . 25 A HA . 16187 1 169 . 1 1 25 25 ALA HB1 H 1 1.310 0.009 . . . . . . 25 A QB . 16187 1 170 . 1 1 25 25 ALA HB2 H 1 1.310 0.009 . . . . . . 25 A QB . 16187 1 171 . 1 1 25 25 ALA HB3 H 1 1.310 0.009 . . . . . . 25 A QB . 16187 1 172 . 1 1 26 26 PHE H H 1 8.176 0.006 . 1 . . . . 26 F HN . 16187 1 173 . 1 1 26 26 PHE HA H 1 4.639 0.009 . 1 . . . . 26 F HA . 16187 1 174 . 1 1 26 26 PHE HB2 H 1 3.013 0.005 . 2 . . . . 26 F HB2 . 16187 1 175 . 1 1 26 26 PHE HB3 H 1 3.102 0.008 . 2 . . . . 26 F HB3 . 16187 1 176 . 1 1 26 26 PHE HD1 H 1 7.234 0.007 . 3 . . . . 26 F QD . 16187 1 177 . 1 1 26 26 PHE HD2 H 1 7.234 0.007 . 3 . . . . 26 F QD . 16187 1 178 . 1 1 26 26 PHE HE1 H 1 7.348 0.004 . 3 . . . . 26 F QE . 16187 1 179 . 1 1 26 26 PHE HE2 H 1 7.348 0.004 . 3 . . . . 26 F QE . 16187 1 180 . 1 1 26 26 PHE HZ H 1 7.326 0.002 . 1 . . . . 26 F HZ . 16187 1 181 . 1 1 27 27 ILE H H 1 8.063 0.007 . 1 . . . . 27 I HN . 16187 1 182 . 1 1 27 27 ILE HA H 1 4.141 0.008 . 1 . . . . 27 I HA . 16187 1 183 . 1 1 27 27 ILE HB H 1 1.759 0.005 . 1 . . . . 27 I HB . 16187 1 184 . 1 1 27 27 ILE HG12 H 1 1.131 0.005 . 2 . . . . 27 I HG12 . 16187 1 185 . 1 1 27 27 ILE HG13 H 1 1.446 0.002 . 2 . . . . 27 I HG13 . 16187 1 186 . 1 1 27 27 ILE HG21 H 1 0.836 0.005 . . . . . . 27 I QG2 . 16187 1 187 . 1 1 27 27 ILE HG22 H 1 0.836 0.005 . . . . . . 27 I QG2 . 16187 1 188 . 1 1 27 27 ILE HG23 H 1 0.836 0.005 . . . . . . 27 I QG2 . 16187 1 189 . 1 1 28 28 VAL H H 1 8.306 0.001 . 1 . . . . 28 V HN . 16187 1 190 . 1 1 28 28 VAL HA H 1 4.061 0.003 . 1 . . . . 28 V HA . 16187 1 191 . 1 1 28 28 VAL HB H 1 2.019 0.006 . 1 . . . . 28 V HB . 16187 1 192 . 1 1 28 28 VAL HG11 H 1 0.918 0.007 . . . . . . 28 V QG1 . 16187 1 193 . 1 1 28 28 VAL HG12 H 1 0.918 0.007 . . . . . . 28 V QG1 . 16187 1 194 . 1 1 28 28 VAL HG13 H 1 0.918 0.007 . . . . . . 28 V QG1 . 16187 1 195 . 1 1 28 28 VAL HG21 H 1 0.972 0.003 . . . . . . 28 V QG2 . 16187 1 196 . 1 1 28 28 VAL HG22 H 1 0.972 0.003 . . . . . . 28 V QG2 . 16187 1 197 . 1 1 28 28 VAL HG23 H 1 0.972 0.003 . . . . . . 28 V QG2 . 16187 1 198 . 1 1 29 29 VAL H H 1 8.298 0.008 . 1 . . . . 29 V HN . 16187 1 199 . 1 1 29 29 VAL HA H 1 4.084 0.003 . 1 . . . . 29 V HA . 16187 1 200 . 1 1 29 29 VAL HB H 1 2.030 0.006 . 1 . . . . 29 V HB . 16187 1 201 . 1 1 29 29 VAL HG11 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 202 . 1 1 29 29 VAL HG12 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 203 . 1 1 29 29 VAL HG13 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 204 . 1 1 29 29 VAL HG21 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 205 . 1 1 29 29 VAL HG22 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 206 . 1 1 29 29 VAL HG23 H 1 0.932 0.008 . . . . . . 29 V QQG . 16187 1 207 . 1 1 30 30 ALA H H 1 8.426 0.007 . 1 . . . . 30 A HN . 16187 1 208 . 1 1 30 30 ALA HA H 1 4.359 0.000 . 1 . . . . 30 A HA . 16187 1 209 . 1 1 30 30 ALA HB1 H 1 1.379 0.008 . . . . . . 30 A QB . 16187 1 210 . 1 1 30 30 ALA HB2 H 1 1.379 0.008 . . . . . . 30 A QB . 16187 1 211 . 1 1 30 30 ALA HB3 H 1 1.379 0.008 . . . . . . 30 A QB . 16187 1 212 . 1 1 31 31 LEU H H 1 8.336 0.009 . 1 . . . . 31 L HN . 16187 1 213 . 1 1 31 31 LEU HA H 1 4.354 0.005 . 1 . . . . 31 L HA . 16187 1 214 . 1 1 31 31 LEU HB2 H 1 1.665 0.005 . 2 . . . . 31 L QB . 16187 1 215 . 1 1 31 31 LEU HB3 H 1 1.665 0.005 . 2 . . . . 31 L QB . 16187 1 216 . 1 1 31 31 LEU HD11 H 1 0.880 0.000 . . . . . . 31 L QD1 . 16187 1 217 . 1 1 31 31 LEU HD12 H 1 0.880 0.000 . . . . . . 31 L QD1 . 16187 1 218 . 1 1 31 31 LEU HD13 H 1 0.880 0.000 . . . . . . 31 L QD1 . 16187 1 219 . 1 1 31 31 LEU HD21 H 1 0.941 0.000 . . . . . . 31 L QD2 . 16187 1 220 . 1 1 31 31 LEU HD22 H 1 0.941 0.000 . . . . . . 31 L QD2 . 16187 1 221 . 1 1 31 31 LEU HD23 H 1 0.941 0.000 . . . . . . 31 L QD2 . 16187 1 222 . 1 1 31 31 LEU HG H 1 1.625 0.004 . 1 . . . . 31 L HG . 16187 1 223 . 1 1 32 32 GLY H H 1 8.288 0.015 . 1 . . . . 32 G HN . 16187 1 224 . 1 1 32 32 GLY HA2 H 1 3.918 0.009 . 2 . . . . 32 G QA . 16187 1 225 . 1 1 32 32 GLY HA3 H 1 3.918 0.009 . 2 . . . . 32 G QA . 16187 1 stop_ save_