################################### # 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 15124 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $RT-Water _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $external_DSS _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 NOESY' . . . 15124 1 2 '2D DQF-COSY' . . . 15124 1 3 '2D 1H-1H TOCSY' . . . 15124 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 LEU HA H 1 3.854 0.02 . 1 . . . . 1 LEU HA . 15124 1 2 . 1 1 1 1 LEU HG H 1 0.775 0.02 . 1 . . . . 1 LEU HG . 15124 1 3 . 1 1 1 1 LEU HD11 H 1 0.775 0.02 . 1 . . . . 1 LEU HD1 . 15124 1 4 . 1 1 1 1 LEU HD12 H 1 0.775 0.02 . 1 . . . . 1 LEU HD1 . 15124 1 5 . 1 1 1 1 LEU HD13 H 1 0.775 0.02 . 1 . . . . 1 LEU HD1 . 15124 1 6 . 1 1 1 1 LEU HD21 H 1 0.692 0.02 . 1 . . . . 1 LEU HD2 . 15124 1 7 . 1 1 1 1 LEU HD22 H 1 0.692 0.02 . 1 . . . . 1 LEU HD2 . 15124 1 8 . 1 1 1 1 LEU HD23 H 1 0.692 0.02 . 1 . . . . 1 LEU HD2 . 15124 1 9 . 1 1 2 2 GLU H H 1 8.596 0.02 . 1 . . . . 2 GLU H . 15124 1 10 . 1 1 2 2 GLU HA H 1 4.203 0.02 . 1 . . . . 2 GLU HA . 15124 1 11 . 1 1 3 3 ALA H H 1 8.317 0.02 . 1 . . . . 3 ALA H . 15124 1 12 . 1 1 3 3 ALA HA H 1 4.140 0.02 . 1 . . . . 3 ALA HA . 15124 1 13 . 1 1 3 3 ALA HB1 H 1 1.157 0.02 . 1 . . . . 3 ALA HB . 15124 1 14 . 1 1 3 3 ALA HB2 H 1 1.157 0.02 . 1 . . . . 3 ALA HB . 15124 1 15 . 1 1 3 3 ALA HB3 H 1 1.157 0.02 . 1 . . . . 3 ALA HB . 15124 1 16 . 1 1 4 4 ILE H H 1 8.047 0.02 . 1 . . . . 4 ILE H . 15124 1 17 . 1 1 4 4 ILE HA H 1 4.293 0.02 . 1 . . . . 4 ILE HA . 15124 1 18 . 1 1 4 4 ILE HB H 1 1.690 0.02 . 1 . . . . 4 ILE HB . 15124 1 19 . 1 1 4 4 ILE HG12 H 1 1.004 0.02 . 1 . . . . 4 ILE HG12 . 15124 1 20 . 1 1 4 4 ILE HG13 H 1 1.345 0.02 . 1 . . . . 4 ILE HG13 . 15124 1 21 . 1 1 4 4 ILE HG21 H 1 0.790 0.02 . 1 . . . . 4 ILE HG2 . 15124 1 22 . 1 1 4 4 ILE HG22 H 1 0.790 0.02 . 1 . . . . 4 ILE HG2 . 15124 1 23 . 1 1 4 4 ILE HG23 H 1 0.790 0.02 . 1 . . . . 4 ILE HG2 . 15124 1 24 . 1 1 4 4 ILE HD11 H 1 0.693 0.02 . 1 . . . . 4 ILE HD1 . 15124 1 25 . 1 1 4 4 ILE HD12 H 1 0.693 0.02 . 1 . . . . 4 ILE HD1 . 15124 1 26 . 1 1 4 4 ILE HD13 H 1 0.693 0.02 . 1 . . . . 4 ILE HD1 . 15124 1 27 . 1 1 5 5 PRO HA H 1 4.228 0.02 . 5 . . . . 5 PRO HA . 15124 1 28 . 1 1 5 5 PRO HD2 H 1 3.426 0.02 . 5 . . . . 5 PRO HD2 . 15124 1 29 . 1 1 5 5 PRO HD3 H 1 3.521 0.02 . 5 . . . . 5 PRO HD3 . 15124 1 30 . 1 1 6 6 CYS H H 1 8.165 0.02 . 1 . . . . 6 CYS H . 15124 1 31 . 1 1 6 6 CYS HA H 1 4.569 0.02 . 1 . . . . 6 CYS HA . 15124 1 32 . 1 1 6 6 CYS HB2 H 1 3.022 0.02 . 1 . . . . 6 CYS HB2 . 15124 1 33 . 1 1 6 6 CYS HB3 H 1 2.868 0.02 . 1 . . . . 6 CYS HB3 . 15124 1 34 . 1 1 7 7 SER H H 1 8.622 0.02 . 1 . . . . 7 SER H . 15124 1 35 . 1 1 7 7 SER HA H 1 4.230 0.02 . 1 . . . . 7 SER HA . 15124 1 36 . 1 1 7 7 SER HB2 H 1 3.724 0.02 . 1 . . . . 7 SER HB2 . 15124 1 37 . 1 1 7 7 SER HB3 H 1 3.676 0.02 . 1 . . . . 7 SER HB3 . 15124 1 38 . 1 1 8 8 ILE H H 1 7.467 0.02 . 1 . . . . 8 ILE H . 15124 1 39 . 1 1 8 8 ILE HA H 1 4.370 0.02 . 1 . . . . 8 ILE HA . 15124 1 40 . 1 1 8 8 ILE HB H 1 1.650 0.02 . 1 . . . . 8 ILE HB . 15124 1 41 . 1 1 8 8 ILE HG12 H 1 0.883 0.02 . 1 . . . . 8 ILE HG12 . 15124 1 42 . 1 1 8 8 ILE HG13 H 1 1.293 0.02 . 1 . . . . 8 ILE HG13 . 15124 1 43 . 1 1 8 8 ILE HG21 H 1 0.726 0.02 . 1 . . . . 8 ILE HG2 . 15124 1 44 . 1 1 8 8 ILE HG22 H 1 0.726 0.02 . 1 . . . . 8 ILE HG2 . 15124 1 45 . 1 1 8 8 ILE HG23 H 1 0.726 0.02 . 1 . . . . 8 ILE HG2 . 15124 1 46 . 1 1 8 8 ILE HD11 H 1 0.695 0.02 . 1 . . . . 8 ILE HD1 . 15124 1 47 . 1 1 8 8 ILE HD12 H 1 0.695 0.02 . 1 . . . . 8 ILE HD1 . 15124 1 48 . 1 1 8 8 ILE HD13 H 1 0.695 0.02 . 1 . . . . 8 ILE HD1 . 15124 1 49 . 1 1 9 9 PRO HA H 1 4.221 0.02 . 5 . . . . 9 PRO HA . 15124 1 50 . 1 1 9 9 PRO HD2 H 1 3.699 0.02 . 5 . . . . 9 PRO HD2 . 15124 1 51 . 1 1 10 10 PRO HA H 1 4.268 0.02 . 1 . . . . 10 PRO HA . 15124 1 52 . 1 1 10 10 PRO HD2 H 1 3.430 0.02 . 1 . . . . 10 PRO HD2 . 15124 1 53 . 1 1 10 10 PRO HD3 H 1 3.333 0.02 . 1 . . . . 10 PRO HD3 . 15124 1 54 . 1 1 11 11 CYS H H 1 8.596 0.02 . 1 . . . . 11 CYS H . 15124 1 55 . 1 1 11 11 CYS HA H 1 4.573 0.02 . 1 . . . . 11 CYS HA . 15124 1 56 . 1 1 11 11 CYS HB2 H 1 3.022 0.02 . 1 . . . . 11 CYS HB2 . 15124 1 57 . 1 1 11 11 CYS HB3 H 1 2.563 0.02 . 1 . . . . 11 CYS HB3 . 15124 1 58 . 1 1 12 12 PHE H H 1 8.197 0.02 . 1 . . . . 12 PHE H . 15124 1 59 . 1 1 12 12 PHE HA H 1 4.436 0.02 . 1 . . . . 12 PHE HA . 15124 1 60 . 1 1 12 12 PHE HB2 H 1 2.865 0.02 . 1 . . . . 12 PHE HB2 . 15124 1 61 . 1 1 12 12 PHE HB3 H 1 2.711 0.02 . 1 . . . . 12 PHE HB3 . 15124 1 62 . 1 1 12 12 PHE HD1 H 1 7.025 0.02 . 1 . . . . 12 PHE HD1 . 15124 1 63 . 1 1 12 12 PHE HE1 H 1 7.138 0.02 . 1 . . . . 12 PHE HE1 . 15124 1 64 . 1 1 13 13 ALA H H 1 8.150 0.02 . 1 . . . . 13 ALA H . 15124 1 65 . 1 1 13 13 ALA HA H 1 4.112 0.02 . 1 . . . . 13 ALA HA . 15124 1 66 . 1 1 13 13 ALA HB1 H 1 1.102 0.02 . 1 . . . . 13 ALA HB . 15124 1 67 . 1 1 13 13 ALA HB2 H 1 1.102 0.02 . 1 . . . . 13 ALA HB . 15124 1 68 . 1 1 13 13 ALA HB3 H 1 1.102 0.02 . 1 . . . . 13 ALA HB . 15124 1 69 . 1 1 14 14 PHE H H 1 7.917 0.02 . 1 . . . . 14 PHE H . 15124 1 70 . 1 1 14 14 PHE HA H 1 4.395 0.02 . 1 . . . . 14 PHE HA . 15124 1 71 . 1 1 14 14 PHE HB2 H 1 2.972 0.02 . 1 . . . . 14 PHE HB2 . 15124 1 72 . 1 1 14 14 PHE HB3 H 1 2.864 0.02 . 1 . . . . 14 PHE HB3 . 15124 1 73 . 1 1 15 15 ASN H H 1 8.164 0.02 . 1 . . . . 15 ASN H . 15124 1 74 . 1 1 15 15 ASN HA H 1 4.469 0.02 . 1 . . . . 15 ASN HA . 15124 1 75 . 1 1 15 15 ASN HB2 H 1 2.572 0.02 . 1 . . . . 15 ASN HB2 . 15124 1 76 . 1 1 15 15 ASN HB3 H 1 2.512 0.02 . 1 . . . . 15 ASN HB3 . 15124 1 77 . 1 1 16 16 LYS H H 1 7.915 0.02 . 1 . . . . 16 LYS H . 15124 1 78 . 1 1 16 16 LYS HA H 1 4.368 0.02 . 1 . . . . 16 LYS HA . 15124 1 79 . 1 1 16 16 LYS HB2 H 1 1.608 0.02 . 1 . . . . 16 LYS HB2 . 15124 1 80 . 1 1 16 16 LYS HG2 H 1 1.244 0.02 . 1 . . . . 16 LYS HG2 . 15124 1 81 . 1 1 16 16 LYS HD2 H 1 1.497 0.02 . 1 . . . . 16 LYS HD2 . 15124 1 82 . 1 1 16 16 LYS HE2 H 1 2.801 0.02 . 1 . . . . 16 LYS HE2 . 15124 1 83 . 1 1 16 16 LYS HZ1 H 1 7.363 0.02 . 1 . . . . 16 LYS HZ . 15124 1 84 . 1 1 16 16 LYS HZ2 H 1 7.363 0.02 . 1 . . . . 16 LYS HZ . 15124 1 85 . 1 1 16 16 LYS HZ3 H 1 7.363 0.02 . 1 . . . . 16 LYS HZ . 15124 1 86 . 1 1 17 17 PRO HA H 1 4.176 0.02 . 1 . . . . 17 PRO HA . 15124 1 87 . 1 1 17 17 PRO HD2 H 1 3.582 0.02 . 1 . . . . 17 PRO HD2 . 15124 1 88 . 1 1 17 17 PRO HD3 H 1 3.433 0.02 . 1 . . . . 17 PRO HD3 . 15124 1 89 . 1 1 18 18 PHE H H 1 8.064 0.02 . 1 . . . . 18 PHE H . 15124 1 90 . 1 1 18 18 PHE HA H 1 4.369 0.02 . 1 . . . . 18 PHE HA . 15124 1 91 . 1 1 18 18 PHE HB2 H 1 2.828 0.02 . 1 . . . . 18 PHE HB2 . 15124 1 92 . 1 1 18 18 PHE HB3 H 1 2.828 0.02 . 1 . . . . 18 PHE HB3 . 15124 1 93 . 1 1 18 18 PHE HD1 H 1 6.998 0.02 . 1 . . . . 18 PHE HD1 . 15124 1 94 . 1 1 19 19 VAL H H 1 7.636 0.02 . 1 . . . . 19 VAL H . 15124 1 95 . 1 1 19 19 VAL HA H 1 3.868 0.02 . 1 . . . . 19 VAL HA . 15124 1 96 . 1 1 19 19 VAL HB H 1 1.747 0.02 . 1 . . . . 19 VAL HB . 15124 1 97 . 1 1 19 19 VAL HG11 H 1 0.660 0.02 . 1 . . . . 19 VAL HG1 . 15124 1 98 . 1 1 19 19 VAL HG12 H 1 0.660 0.02 . 1 . . . . 19 VAL HG1 . 15124 1 99 . 1 1 19 19 VAL HG13 H 1 0.660 0.02 . 1 . . . . 19 VAL HG1 . 15124 1 100 . 1 1 20 20 PHE H H 1 7.532 0.02 . 1 . . . . 20 PHE H . 15124 1 101 . 1 1 20 20 PHE HA H 1 4.211 0.02 . 1 . . . . 20 PHE HA . 15124 1 102 . 1 1 20 20 PHE HB2 H 1 2.942 0.02 . 1 . . . . 20 PHE HB2 . 15124 1 103 . 1 1 20 20 PHE HB3 H 1 2.771 0.02 . 1 . . . . 20 PHE HB3 . 15124 1 104 . 2 2 1 1 ALA HA H 1 3.969 0.02 . 1 . . . . 22 ALA HA . 15124 1 105 . 2 2 1 1 ALA HB1 H 1 1.341 0.02 . 1 . . . . 22 ALA HB . 15124 1 106 . 2 2 1 1 ALA HB2 H 1 1.341 0.02 . 1 . . . . 22 ALA HB . 15124 1 107 . 2 2 1 1 ALA HB3 H 1 1.341 0.02 . 1 . . . . 22 ALA HB . 15124 1 108 . 2 2 2 2 VAL H H 1 8.356 0.02 . 1 . . . . 23 VAL H . 15124 1 109 . 2 2 2 2 VAL HA H 1 4.007 0.02 . 1 . . . . 23 VAL HA . 15124 1 110 . 2 2 2 2 VAL HB H 1 1.899 0.02 . 1 . . . . 23 VAL HB . 15124 1 111 . 2 2 2 2 VAL HG11 H 1 0.794 0.02 . 1 . . . . 23 VAL HG1 . 15124 1 112 . 2 2 2 2 VAL HG12 H 1 0.794 0.02 . 1 . . . . 23 VAL HG1 . 15124 1 113 . 2 2 2 2 VAL HG13 H 1 0.794 0.02 . 1 . . . . 23 VAL HG1 . 15124 1 114 . 2 2 3 3 GLY H H 1 8.326 0.02 . 1 . . . . 24 GLY H . 15124 1 115 . 2 2 3 3 GLY HA2 H 1 3.820 0.02 . 1 . . . . 24 GLY HA2 . 15124 1 116 . 2 2 3 3 GLY HA3 H 1 3.721 0.02 . 1 . . . . 24 GLY HA3 . 15124 1 117 . 2 2 4 4 ILE H H 1 7.949 0.02 . 1 . . . . 25 ILE H . 15124 1 118 . 2 2 4 4 ILE HA H 1 4.025 0.02 . 1 . . . . 25 ILE HA . 15124 1 119 . 2 2 4 4 ILE HB H 1 1.714 0.02 . 1 . . . . 25 ILE HB . 15124 1 120 . 2 2 4 4 ILE HG12 H 1 1.291 0.02 . 1 . . . . 25 ILE HG12 . 15124 1 121 . 2 2 4 4 ILE HG13 H 1 1.022 0.02 . 1 . . . . 25 ILE HG13 . 15124 1 122 . 2 2 4 4 ILE HD11 H 1 0.694 0.02 . 1 . . . . 25 ILE HD1 . 15124 1 123 . 2 2 4 4 ILE HD12 H 1 0.694 0.02 . 1 . . . . 25 ILE HD1 . 15124 1 124 . 2 2 4 4 ILE HD13 H 1 0.694 0.02 . 1 . . . . 25 ILE HD1 . 15124 1 125 . 2 2 5 5 GLY H H 1 8.368 0.02 . 1 . . . . 26 GLY H . 15124 1 126 . 2 2 5 5 GLY HA2 H 1 3.763 0.02 . 1 . . . . 26 GLY HA2 . 15124 1 127 . 2 2 6 6 ALA H H 1 7.944 0.02 . 1 . . . . 27 ALA H . 15124 1 128 . 2 2 6 6 ALA HA H 1 4.077 0.02 . 1 . . . . 27 ALA HA . 15124 1 129 . 2 2 6 6 ALA HB1 H 1 1.168 0.02 . 1 . . . . 27 ALA HB . 15124 1 130 . 2 2 6 6 ALA HB2 H 1 1.168 0.02 . 1 . . . . 27 ALA HB . 15124 1 131 . 2 2 6 6 ALA HB3 H 1 1.168 0.02 . 1 . . . . 27 ALA HB . 15124 1 132 . 2 2 7 7 LEU H H 1 7.929 0.02 . 1 . . . . 28 LEU H . 15124 1 133 . 2 2 7 7 LEU HA H 1 4.085 0.02 . 1 . . . . 28 LEU HA . 15124 1 134 . 2 2 7 7 LEU HB2 H 1 1.263 0.02 . 1 . . . . 28 LEU HB2 . 15124 1 135 . 2 2 7 7 LEU HB3 H 1 1.261 0.02 . 1 . . . . 28 LEU HB3 . 15124 1 136 . 2 2 7 7 LEU HD11 H 1 0.718 0.02 . 1 . . . . 28 LEU HD1 . 15124 1 137 . 2 2 7 7 LEU HD12 H 1 0.718 0.02 . 1 . . . . 28 LEU HD1 . 15124 1 138 . 2 2 7 7 LEU HD13 H 1 0.718 0.02 . 1 . . . . 28 LEU HD1 . 15124 1 139 . 2 2 7 7 LEU HD21 H 1 0.661 0.02 . 1 . . . . 28 LEU HD2 . 15124 1 140 . 2 2 7 7 LEU HD22 H 1 0.661 0.02 . 1 . . . . 28 LEU HD2 . 15124 1 141 . 2 2 7 7 LEU HD23 H 1 0.661 0.02 . 1 . . . . 28 LEU HD2 . 15124 1 142 . 2 2 8 8 PHE H H 1 7.988 0.02 . 1 . . . . 29 PHE H . 15124 1 143 . 2 2 8 8 PHE HA H 1 4.439 0.02 . 1 . . . . 29 PHE HA . 15124 1 144 . 2 2 8 8 PHE HB2 H 1 2.940 0.02 . 1 . . . . 29 PHE HB2 . 15124 1 145 . 2 2 8 8 PHE HB3 H 1 2.859 0.02 . 1 . . . . 29 PHE HB3 . 15124 1 146 . 2 2 8 8 PHE HD1 H 1 7.062 0.02 . 1 . . . . 29 PHE HD1 . 15124 1 147 . 2 2 9 9 LEU H H 1 7.961 0.02 . 1 . . . . 30 LEU H . 15124 1 148 . 2 2 9 9 LEU HA H 1 4.097 0.02 . 1 . . . . 30 LEU HA . 15124 1 149 . 2 2 9 9 LEU HB2 H 1 1.379 0.02 . 1 . . . . 30 LEU HB2 . 15124 1 150 . 2 2 9 9 LEU HG H 1 1.380 0.02 . 1 . . . . 30 LEU HG . 15124 1 151 . 2 2 10 10 GLY H H 1 7.410 0.02 . 1 . . . . 31 GLY H . 15124 1 152 . 2 2 10 10 GLY HA2 H 1 3.570 0.02 . 1 . . . . 31 GLY HA2 . 15124 1 153 . 2 2 10 10 GLY HA3 H 1 3.667 0.02 . 1 . . . . 31 GLY HA3 . 15124 1 154 . 2 2 11 11 PHE H H 1 7.865 0.02 . 1 . . . . 32 PHE H . 15124 1 155 . 2 2 11 11 PHE HA H 1 4.456 0.02 . 1 . . . . 32 PHE HA . 15124 1 156 . 2 2 11 11 PHE HB2 H 1 2.963 0.02 . 1 . . . . 32 PHE HB2 . 15124 1 157 . 2 2 11 11 PHE HB3 H 1 2.883 0.02 . 1 . . . . 32 PHE HB3 . 15124 1 158 . 2 2 11 11 PHE HD1 H 1 7.097 0.02 . 1 . . . . 32 PHE HD1 . 15124 1 159 . 2 2 12 12 LEU H H 1 8.091 0.02 . 1 . . . . 33 LEU H . 15124 1 160 . 2 2 12 12 LEU HA H 1 4.130 0.02 . 1 . . . . 33 LEU HA . 15124 1 161 . 2 2 12 12 LEU HB2 H 1 1.437 0.02 . 1 . . . . 33 LEU HB2 . 15124 1 162 . 2 2 12 12 LEU HB3 H 1 1.380 0.02 . 1 . . . . 33 LEU HB3 . 15124 1 163 . 2 2 12 12 LEU HD11 H 1 0.728 0.02 . 1 . . . . 33 LEU HD1 . 15124 1 164 . 2 2 12 12 LEU HD12 H 1 0.728 0.02 . 1 . . . . 33 LEU HD1 . 15124 1 165 . 2 2 12 12 LEU HD13 H 1 0.728 0.02 . 1 . . . . 33 LEU HD1 . 15124 1 166 . 2 2 12 12 LEU HD21 H 1 0.669 0.02 . 1 . . . . 33 LEU HD2 . 15124 1 167 . 2 2 12 12 LEU HD22 H 1 0.669 0.02 . 1 . . . . 33 LEU HD2 . 15124 1 168 . 2 2 12 12 LEU HD23 H 1 0.669 0.02 . 1 . . . . 33 LEU HD2 . 15124 1 169 . 2 2 13 13 GLY H H 1 7.705 0.02 . 1 . . . . 34 GLY H . 15124 1 170 . 2 2 13 13 GLY HA2 H 1 3.694 0.02 . 1 . . . . 34 GLY HA2 . 15124 1 171 . 2 2 14 14 ALA H H 1 8.200 0.02 . 5 . . . . 35 ALA H . 15124 1 172 . 2 2 14 14 ALA HA H 1 4.120 0.02 . 5 . . . . 35 ALA HA . 15124 1 173 . 2 2 14 14 ALA HB1 H 1 1.227 0.02 . 5 . . . . 35 ALA HB . 15124 1 174 . 2 2 14 14 ALA HB2 H 1 1.227 0.02 . 5 . . . . 35 ALA HB . 15124 1 175 . 2 2 14 14 ALA HB3 H 1 1.227 0.02 . 5 . . . . 35 ALA HB . 15124 1 176 . 2 2 15 15 ALA H H 1 8.199 0.02 . 5 . . . . 36 ALA H . 15124 1 177 . 2 2 15 15 ALA HA H 1 4.126 0.02 . 5 . . . . 36 ALA HA . 15124 1 178 . 2 2 15 15 ALA HB1 H 1 1.233 0.02 . 5 . . . . 36 ALA HB . 15124 1 179 . 2 2 15 15 ALA HB2 H 1 1.233 0.02 . 5 . . . . 36 ALA HB . 15124 1 180 . 2 2 15 15 ALA HB3 H 1 1.233 0.02 . 5 . . . . 36 ALA HB . 15124 1 181 . 2 2 16 16 GLY H H 1 8.163 0.02 . 1 . . . . 37 GLY H . 15124 1 182 . 2 2 16 16 GLY HA2 H 1 3.790 0.02 . 1 . . . . 37 GLY HA2 . 15124 1 183 . 2 2 17 17 SER H H 1 8.005 0.02 . 1 . . . . 38 SER H . 15124 1 184 . 2 2 17 17 SER HA H 1 4.357 0.02 . 1 . . . . 38 SER HA . 15124 1 185 . 2 2 17 17 SER HB2 H 1 3.770 0.02 . 1 . . . . 38 SER HB2 . 15124 1 186 . 2 2 17 17 SER HB3 H 1 3.701 0.02 . 1 . . . . 38 SER HB3 . 15124 1 187 . 2 2 18 18 THR H H 1 8.076 0.02 . 1 . . . . 39 THR H . 15124 1 188 . 2 2 18 18 THR HA H 1 4.213 0.02 . 1 . . . . 39 THR HA . 15124 1 189 . 2 2 18 18 THR HB H 1 4.123 0.02 . 1 . . . . 39 THR HB . 15124 1 190 . 2 2 18 18 THR HG21 H 1 1.039 0.02 . 1 . . . . 39 THR HG1 . 15124 1 191 . 2 2 18 18 THR HG22 H 1 1.039 0.02 . 1 . . . . 39 THR HG1 . 15124 1 192 . 2 2 18 18 THR HG23 H 1 1.039 0.02 . 1 . . . . 39 THR HG1 . 15124 1 193 . 2 2 19 19 MET H H 1 8.188 0.02 . 1 . . . . 40 MET H . 15124 1 194 . 2 2 19 19 MET HA H 1 4.301 0.02 . 1 . . . . 40 MET HA . 15124 1 195 . 2 2 19 19 MET HB2 H 1 1.939 0.02 . 1 . . . . 40 MET HB2 . 15124 1 196 . 2 2 19 19 MET HB3 H 1 1.848 0.02 . 1 . . . . 40 MET HB3 . 15124 1 197 . 2 2 19 19 MET HG2 H 1 2.443 0.02 . 1 . . . . 40 MET HG2 . 15124 1 198 . 2 2 19 19 MET HG3 H 1 2.367 0.02 . 1 . . . . 40 MET HG3 . 15124 1 199 . 2 2 20 20 GLY H H 1 8.227 0.02 . 1 . . . . 41 GLY H . 15124 1 200 . 2 2 20 20 GLY HA2 H 1 3.761 0.02 . 1 . . . . 41 GLY HA2 . 15124 1 201 . 2 2 20 20 GLY HA3 H 1 3.761 0.02 . 1 . . . . 41 GLY HA3 . 15124 1 202 . 2 2 21 21 ALA H H 1 8.000 0.02 . 1 . . . . 42 ALA H . 15124 1 203 . 2 2 21 21 ALA HA H 1 4.140 0.02 . 1 . . . . 42 ALA HA . 15124 1 204 . 2 2 21 21 ALA HB1 H 1 1.223 0.02 . 1 . . . . 42 ALA HB . 15124 1 205 . 2 2 21 21 ALA HB2 H 1 1.223 0.02 . 1 . . . . 42 ALA HB . 15124 1 206 . 2 2 21 21 ALA HB3 H 1 1.223 0.02 . 1 . . . . 42 ALA HB . 15124 1 207 . 2 2 22 22 ARG H H 1 8.224 0.02 . 1 . . . . 43 ARG H . 15124 1 208 . 2 2 22 22 ARG HA H 1 4.201 0.02 . 1 . . . . 43 ARG HA . 15124 1 209 . 2 2 22 22 ARG HB2 H 1 1.733 0.02 . 1 . . . . 43 ARG HB2 . 15124 1 210 . 2 2 22 22 ARG HB3 H 1 1.616 0.02 . 1 . . . . 43 ARG HB3 . 15124 1 211 . 2 2 22 22 ARG HG2 H 1 1.495 0.02 . 1 . . . . 43 ARG HG2 . 15124 1 212 . 2 2 22 22 ARG HD2 H 1 3.038 0.02 . 1 . . . . 43 ARG HD2 . 15124 1 213 . 2 2 22 22 ARG HH11 H 1 7.028 0.02 . 1 . . . . 43 ARG NH1 . 15124 1 214 . 2 2 22 22 ARG HH12 H 1 7.028 0.02 . 1 . . . . 43 ARG NH1 . 15124 1 215 . 2 2 23 23 SER H H 1 8.069 0.02 . 1 . . . . 44 SER H . 15124 1 216 . 2 2 23 23 SER HA H 1 4.242 0.02 . 1 . . . . 44 SER HA . 15124 1 217 . 2 2 23 23 SER HB2 H 1 3.693 0.02 . 1 . . . . 44 SER HB2 . 15124 1 218 . 2 2 23 23 SER HB3 H 1 3.693 0.02 . 1 . . . . 44 SER HB3 . 15124 1 stop_ save_