################################### # 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30651 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 gCOSY' . . . 30651 1 2 '2D TOCSY' . . . 30651 1 3 '2D NOESY' . . . 30651 1 4 '2D 1H-13C HSQC' . . . 30651 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 GLY H H 1 7.580 0.000 . . . . . . A 1 GLY H1 . 30651 1 2 . 1 . 1 1 1 GLY HA2 H 1 3.639 0.000 . . . . . . A 1 GLY HA2 . 30651 1 3 . 1 . 1 1 1 GLY HA3 H 1 4.508 0.000 . . . . . . A 1 GLY HA3 . 30651 1 4 . 1 . 1 2 2 VAL H H 1 8.379 0.000 . . . . . . A 2 VAL H . 30651 1 5 . 1 . 1 2 2 VAL HA H 1 4.494 0.000 . . . . . . A 2 VAL HA . 30651 1 6 . 1 . 1 2 2 VAL HB H 1 2.329 0.000 . . . . . . A 2 VAL HB . 30651 1 7 . 1 . 1 2 2 VAL HG11 H 1 1.010 0.000 . . . . . . A 2 VAL HG11 . 30651 1 8 . 1 . 1 2 2 VAL HG12 H 1 1.010 0.000 . . . . . . A 2 VAL HG12 . 30651 1 9 . 1 . 1 2 2 VAL HG13 H 1 1.010 0.000 . . . . . . A 2 VAL HG13 . 30651 1 10 . 1 . 1 2 2 VAL HG21 H 1 0.962 0.000 . . . . . . A 2 VAL HG21 . 30651 1 11 . 1 . 1 2 2 VAL HG22 H 1 0.962 0.000 . . . . . . A 2 VAL HG22 . 30651 1 12 . 1 . 1 2 2 VAL HG23 H 1 0.962 0.000 . . . . . . A 2 VAL HG23 . 30651 1 13 . 1 . 1 3 3 LEU H H 1 7.333 0.000 . . . . . . A 3 LEU H . 30651 1 14 . 1 . 1 3 3 LEU HA H 1 4.297 0.000 . . . . . . A 3 LEU HA . 30651 1 15 . 1 . 1 3 3 LEU HB2 H 1 1.636 0.000 . . . . . . A 3 LEU HB2 . 30651 1 16 . 1 . 1 3 3 LEU HB3 H 1 1.636 0.000 . . . . . . A 3 LEU HB3 . 30651 1 17 . 1 . 1 3 3 LEU HG H 1 1.630 0.000 . . . . . . A 3 LEU HG . 30651 1 18 . 1 . 1 3 3 LEU HD11 H 1 0.978 0.000 . . . . . . A 3 LEU HD11 . 30651 1 19 . 1 . 1 3 3 LEU HD12 H 1 0.978 0.000 . . . . . . A 3 LEU HD12 . 30651 1 20 . 1 . 1 3 3 LEU HD13 H 1 0.978 0.000 . . . . . . A 3 LEU HD13 . 30651 1 21 . 1 . 1 3 3 LEU HD21 H 1 0.978 0.000 . . . . . . A 3 LEU HD21 . 30651 1 22 . 1 . 1 3 3 LEU HD22 H 1 0.978 0.000 . . . . . . A 3 LEU HD22 . 30651 1 23 . 1 . 1 3 3 LEU HD23 H 1 0.978 0.000 . . . . . . A 3 LEU HD23 . 30651 1 24 . 1 . 1 4 4 GLY H H 1 7.371 0.000 . . . . . . A 4 GLY H . 30651 1 25 . 1 . 1 4 4 GLY HA2 H 1 1.780 0.000 . . . . . . A 4 GLY HA2 . 30651 1 26 . 1 . 1 4 4 GLY HA3 H 1 3.356 0.000 . . . . . . A 4 GLY HA3 . 30651 1 27 . 1 . 1 5 5 ASN H H 1 6.649 0.000 . . . . . . A 5 ASN H . 30651 1 28 . 1 . 1 5 5 ASN HA H 1 4.724 0.000 . . . . . . A 5 ASN HA . 30651 1 29 . 1 . 1 5 5 ASN HB2 H 1 2.598 0.000 . . . . . . A 5 ASN HB2 . 30651 1 30 . 1 . 1 5 5 ASN HB3 H 1 3.057 0.000 . . . . . . A 5 ASN HB3 . 30651 1 31 . 1 . 1 5 5 ASN HD21 H 1 7.707 0.000 . . . . . . A 5 ASN HD21 . 30651 1 32 . 1 . 1 5 5 ASN HD22 H 1 6.911 0.000 . . . . . . A 5 ASN HD22 . 30651 1 33 . 1 . 1 6 6 ASP H H 1 8.907 0.000 . . . . . . A 6 ASP H . 30651 1 34 . 1 . 1 6 6 ASP HA H 1 5.143 0.000 . . . . . . A 6 ASP HA . 30651 1 35 . 1 . 1 6 6 ASP HB2 H 1 2.931 0.000 . . . . . . A 6 ASP HB2 . 30651 1 36 . 1 . 1 6 6 ASP HB3 H 1 2.736 0.000 . . . . . . A 6 ASP HB3 . 30651 1 37 . 1 . 1 7 7 ALA H H 1 8.434 0.000 . . . . . . A 7 ALA H . 30651 1 38 . 1 . 1 7 7 ALA HA H 1 4.436 0.000 . . . . . . A 7 ALA HA . 30651 1 39 . 1 . 1 7 7 ALA HB1 H 1 1.369 0.000 . . . . . . A 7 ALA HB1 . 30651 1 40 . 1 . 1 7 7 ALA HB2 H 1 1.369 0.000 . . . . . . A 7 ALA HB2 . 30651 1 41 . 1 . 1 7 7 ALA HB3 H 1 1.369 0.000 . . . . . . A 7 ALA HB3 . 30651 1 42 . 1 . 1 8 8 GLU H H 1 8.055 0.000 . . . . . . A 8 GLU H . 30651 1 43 . 1 . 1 8 8 GLU HA H 1 4.322 0.000 . . . . . . A 8 GLU HA . 30651 1 44 . 1 . 1 8 8 GLU HB2 H 1 1.533 0.000 . . . . . . A 8 GLU HB2 . 30651 1 45 . 1 . 1 8 8 GLU HB3 H 1 2.505 0.000 . . . . . . A 8 GLU HB3 . 30651 1 46 . 1 . 1 8 8 GLU HG2 H 1 2.735 0.000 . . . . . . A 8 GLU HG2 . 30651 1 47 . 1 . 1 8 8 GLU HG3 H 1 2.444 0.000 . . . . . . A 8 GLU HG3 . 30651 1 48 . 1 . 1 9 9 GLY H H 1 8.286 0.000 . . . . . . A 9 GLY H . 30651 1 49 . 1 . 1 9 9 GLY HA2 H 1 4.018 0.000 . . . . . . A 9 GLY HA2 . 30651 1 50 . 1 . 1 9 9 GLY HA3 H 1 3.657 0.000 . . . . . . A 9 GLY HA3 . 30651 1 51 . 1 . 1 10 10 ILE H H 1 6.818 0.000 . . . . . . A 10 ILE H . 30651 1 52 . 1 . 1 10 10 ILE HA H 1 4.453 0.000 . . . . . . A 10 ILE HA . 30651 1 53 . 1 . 1 10 10 ILE HB H 1 1.975 0.000 . . . . . . A 10 ILE HB . 30651 1 54 . 1 . 1 10 10 ILE HG12 H 1 1.555 0.000 . . . . . . A 10 ILE HG12 . 30651 1 55 . 1 . 1 10 10 ILE HG13 H 1 1.094 0.000 . . . . . . A 10 ILE HG13 . 30651 1 56 . 1 . 1 10 10 ILE HG21 H 1 0.986 0.000 . . . . . . A 10 ILE HG21 . 30651 1 57 . 1 . 1 10 10 ILE HG22 H 1 0.986 0.000 . . . . . . A 10 ILE HG22 . 30651 1 58 . 1 . 1 10 10 ILE HG23 H 1 0.986 0.000 . . . . . . A 10 ILE HG23 . 30651 1 59 . 1 . 1 10 10 ILE HD11 H 1 0.895 0.000 . . . . . . A 10 ILE HD11 . 30651 1 60 . 1 . 1 10 10 ILE HD12 H 1 0.895 0.000 . . . . . . A 10 ILE HD12 . 30651 1 61 . 1 . 1 10 10 ILE HD13 H 1 0.895 0.000 . . . . . . A 10 ILE HD13 . 30651 1 62 . 1 . 1 11 11 THR H H 1 8.592 0.000 . . . . . . A 11 THR H . 30651 1 63 . 1 . 1 11 11 THR HA H 1 4.017 0.000 . . . . . . A 11 THR HA . 30651 1 64 . 1 . 1 11 11 THR HB H 1 3.679 0.000 . . . . . . A 11 THR HB . 30651 1 65 . 1 . 1 11 11 THR HG21 H 1 1.238 0.000 . . . . . . A 11 THR HG21 . 30651 1 66 . 1 . 1 11 11 THR HG22 H 1 1.238 0.000 . . . . . . A 11 THR HG22 . 30651 1 67 . 1 . 1 11 11 THR HG23 H 1 1.238 0.000 . . . . . . A 11 THR HG23 . 30651 1 68 . 1 . 1 12 12 LEU H H 1 7.549 0.000 . . . . . . A 12 LEU H . 30651 1 69 . 1 . 1 12 12 LEU HA H 1 4.211 0.000 . . . . . . A 12 LEU HA . 30651 1 70 . 1 . 1 12 12 LEU HB2 H 1 1.164 0.000 . . . . . . A 12 LEU HB2 . 30651 1 71 . 1 . 1 12 12 LEU HB3 H 1 1.164 0.000 . . . . . . A 12 LEU HB3 . 30651 1 72 . 1 . 1 12 12 LEU HG H 1 1.686 0.000 . . . . . . A 12 LEU HG . 30651 1 73 . 1 . 1 12 12 LEU HD11 H 1 0.974 0.000 . . . . . . A 12 LEU HD11 . 30651 1 74 . 1 . 1 12 12 LEU HD12 H 1 0.974 0.000 . . . . . . A 12 LEU HD12 . 30651 1 75 . 1 . 1 12 12 LEU HD13 H 1 0.974 0.000 . . . . . . A 12 LEU HD13 . 30651 1 76 . 1 . 1 12 12 LEU HD21 H 1 0.916 0.000 . . . . . . A 12 LEU HD21 . 30651 1 77 . 1 . 1 12 12 LEU HD22 H 1 0.916 0.000 . . . . . . A 12 LEU HD22 . 30651 1 78 . 1 . 1 12 12 LEU HD23 H 1 0.916 0.000 . . . . . . A 12 LEU HD23 . 30651 1 79 . 1 . 1 13 13 LEU H H 1 7.545 0.000 . . . . . . A 13 LEU H . 30651 1 80 . 1 . 1 13 13 LEU HA H 1 5.358 0.000 . . . . . . A 13 LEU HA . 30651 1 81 . 1 . 1 13 13 LEU HB2 H 1 0.988 0.000 . . . . . . A 13 LEU HB2 . 30651 1 82 . 1 . 1 13 13 LEU HB3 H 1 0.988 0.000 . . . . . . A 13 LEU HB3 . 30651 1 83 . 1 . 1 13 13 LEU HG H 1 1.250 0.000 . . . . . . A 13 LEU HG . 30651 1 84 . 1 . 1 13 13 LEU HD11 H 1 0.719 0.000 . . . . . . A 13 LEU HD11 . 30651 1 85 . 1 . 1 13 13 LEU HD12 H 1 0.719 0.000 . . . . . . A 13 LEU HD12 . 30651 1 86 . 1 . 1 13 13 LEU HD13 H 1 0.719 0.000 . . . . . . A 13 LEU HD13 . 30651 1 87 . 1 . 1 13 13 LEU HD21 H 1 0.924 0.000 . . . . . . A 13 LEU HD21 . 30651 1 88 . 1 . 1 13 13 LEU HD22 H 1 0.924 0.000 . . . . . . A 13 LEU HD22 . 30651 1 89 . 1 . 1 13 13 LEU HD23 H 1 0.924 0.000 . . . . . . A 13 LEU HD23 . 30651 1 90 . 1 . 1 14 14 PRO HA H 1 4.765 0.000 . . . . . . A 14 PRO HA . 30651 1 91 . 1 . 1 14 14 PRO HB2 H 1 2.347 0.000 . . . . . . A 14 PRO HB2 . 30651 1 92 . 1 . 1 14 14 PRO HB3 H 1 2.038 0.000 . . . . . . A 14 PRO HB3 . 30651 1 93 . 1 . 1 14 14 PRO HG2 H 1 2.071 0.000 . . . . . . A 14 PRO HG2 . 30651 1 94 . 1 . 1 14 14 PRO HG3 H 1 1.870 0.000 . . . . . . A 14 PRO HG3 . 30651 1 95 . 1 . 1 14 14 PRO HD2 H 1 3.592 0.000 . . . . . . A 14 PRO HD2 . 30651 1 96 . 1 . 1 14 14 PRO HD3 H 1 3.693 0.000 . . . . . . A 14 PRO HD3 . 30651 1 97 . 1 . 1 15 15 LEU H H 1 7.275 0.000 . . . . . . A 15 LEU H . 30651 1 98 . 1 . 1 15 15 LEU HA H 1 4.640 0.000 . . . . . . A 15 LEU HA . 30651 1 99 . 1 . 1 15 15 LEU HB2 H 1 1.596 0.000 . . . . . . A 15 LEU HB2 . 30651 1 100 . 1 . 1 15 15 LEU HB3 H 1 1.596 0.000 . . . . . . A 15 LEU HB3 . 30651 1 101 . 1 . 1 15 15 LEU HG H 1 1.413 0.000 . . . . . . A 15 LEU HG . 30651 1 102 . 1 . 1 15 15 LEU HD11 H 1 1.172 0.000 . . . . . . A 15 LEU HD11 . 30651 1 103 . 1 . 1 15 15 LEU HD12 H 1 1.172 0.000 . . . . . . A 15 LEU HD12 . 30651 1 104 . 1 . 1 15 15 LEU HD13 H 1 1.172 0.000 . . . . . . A 15 LEU HD13 . 30651 1 105 . 1 . 1 15 15 LEU HD21 H 1 0.850 0.000 . . . . . . A 15 LEU HD21 . 30651 1 106 . 1 . 1 15 15 LEU HD22 H 1 0.850 0.000 . . . . . . A 15 LEU HD22 . 30651 1 107 . 1 . 1 15 15 LEU HD23 H 1 0.850 0.000 . . . . . . A 15 LEU HD23 . 30651 1 108 . 1 . 1 16 16 CYS H H 1 8.623 0.000 . . . . . . A 16 CYS H . 30651 1 109 . 1 . 1 16 16 CYS HA H 1 5.321 0.000 . . . . . . A 16 CYS HA . 30651 1 110 . 1 . 1 16 16 CYS HB2 H 1 3.854 0.000 . . . . . . A 16 CYS HB2 . 30651 1 111 . 1 . 1 16 16 CYS HB3 H 1 3.506 0.000 . . . . . . A 16 CYS HB3 . 30651 1 112 . 1 . 1 17 17 PHE H H 1 8.871 0.000 . . . . . . A 17 PHE H . 30651 1 113 . 1 . 1 17 17 PHE HA H 1 5.143 0.000 . . . . . . A 17 PHE HA . 30651 1 114 . 1 . 1 17 17 PHE HB2 H 1 3.053 0.000 . . . . . . A 17 PHE HB2 . 30651 1 115 . 1 . 1 17 17 PHE HB3 H 1 3.053 0.000 . . . . . . A 17 PHE HB3 . 30651 1 116 . 1 . 1 17 17 PHE HD1 H 1 7.397 0.000 . . . . . . A 17 PHE HD1 . 30651 1 117 . 1 . 1 17 17 PHE HD2 H 1 7.397 0.000 . . . . . . A 17 PHE HD2 . 30651 1 118 . 1 . 1 17 17 PHE HE1 H 1 7.204 0.000 . . . . . . A 17 PHE HE1 . 30651 1 119 . 1 . 1 17 17 PHE HE2 H 1 7.204 0.000 . . . . . . A 17 PHE HE2 . 30651 1 120 . 1 . 1 17 17 PHE HZ H 1 7.149 0.000 . . . . . . A 17 PHE HZ . 30651 1 121 . 1 . 1 18 18 LYS H H 1 8.623 0.000 . . . . . . A 18 LYS H . 30651 1 122 . 1 . 1 18 18 LYS HA H 1 4.170 0.000 . . . . . . A 18 LYS HA . 30651 1 123 . 1 . 1 18 18 LYS HB2 H 1 1.785 0.000 . . . . . . A 18 LYS HB2 . 30651 1 124 . 1 . 1 18 18 LYS HB3 H 1 1.699 0.000 . . . . . . A 18 LYS HB3 . 30651 1 125 . 1 . 1 18 18 LYS HG2 H 1 1.516 0.000 . . . . . . A 18 LYS HG2 . 30651 1 126 . 1 . 1 18 18 LYS HG3 H 1 1.465 0.000 . . . . . . A 18 LYS HG3 . 30651 1 127 . 1 . 1 18 18 LYS HD2 H 1 1.628 0.000 . . . . . . A 18 LYS HD2 . 30651 1 128 . 1 . 1 18 18 LYS HD3 H 1 1.628 0.000 . . . . . . A 18 LYS HD3 . 30651 1 129 . 1 . 1 18 18 LYS HE2 H 1 2.914 0.000 . . . . . . A 18 LYS HE2 . 30651 1 130 . 1 . 1 18 18 LYS HE3 H 1 2.914 0.000 . . . . . . A 18 LYS HE3 . 30651 1 131 . 1 . 1 19 19 PRO HA H 1 4.572 0.000 . . . . . . A 19 PRO HA . 30651 1 132 . 1 . 1 19 19 PRO HB2 H 1 2.109 0.000 . . . . . . A 19 PRO HB2 . 30651 1 133 . 1 . 1 19 19 PRO HB3 H 1 2.621 0.000 . . . . . . A 19 PRO HB3 . 30651 1 134 . 1 . 1 19 19 PRO HG2 H 1 1.698 0.000 . . . . . . A 19 PRO HG2 . 30651 1 135 . 1 . 1 19 19 PRO HG3 H 1 2.037 0.000 . . . . . . A 19 PRO HG3 . 30651 1 136 . 1 . 1 19 19 PRO HD2 H 1 3.513 0.000 . . . . . . A 19 PRO HD2 . 30651 1 137 . 1 . 1 19 19 PRO HD3 H 1 3.602 0.000 . . . . . . A 19 PRO HD3 . 30651 1 138 . 1 . 1 20 20 ILE H H 1 9.337 0.000 . . . . . . A 20 ILE H . 30651 1 139 . 1 . 1 20 20 ILE HA H 1 4.175 0.000 . . . . . . A 20 ILE HA . 30651 1 140 . 1 . 1 20 20 ILE HB H 1 2.466 0.000 . . . . . . A 20 ILE HB . 30651 1 141 . 1 . 1 20 20 ILE HG12 H 1 1.304 0.000 . . . . . . A 20 ILE HG12 . 30651 1 142 . 1 . 1 20 20 ILE HG13 H 1 1.593 0.000 . . . . . . A 20 ILE HG13 . 30651 1 143 . 1 . 1 20 20 ILE HG21 H 1 1.090 0.000 . . . . . . A 20 ILE HG21 . 30651 1 144 . 1 . 1 20 20 ILE HG22 H 1 1.090 0.000 . . . . . . A 20 ILE HG22 . 30651 1 145 . 1 . 1 20 20 ILE HG23 H 1 1.090 0.000 . . . . . . A 20 ILE HG23 . 30651 1 146 . 1 . 1 20 20 ILE HD11 H 1 0.917 0.000 . . . . . . A 20 ILE HD11 . 30651 1 147 . 1 . 1 20 20 ILE HD12 H 1 0.917 0.000 . . . . . . A 20 ILE HD12 . 30651 1 148 . 1 . 1 20 20 ILE HD13 H 1 0.917 0.000 . . . . . . A 20 ILE HD13 . 30651 1 149 . 1 . 1 21 21 CYS H H 1 7.607 0.000 . . . . . . A 21 CYS H . 30651 1 150 . 1 . 1 21 21 CYS HA H 1 5.031 0.000 . . . . . . A 21 CYS HA . 30651 1 151 . 1 . 1 21 21 CYS HB2 H 1 3.085 0.000 . . . . . . A 21 CYS HB2 . 30651 1 152 . 1 . 1 21 21 CYS HB3 H 1 2.950 0.000 . . . . . . A 21 CYS HB3 . 30651 1 153 . 1 . 1 22 22 ILE H H 1 9.373 0.000 . . . . . . A 22 ILE H . 30651 1 154 . 1 . 1 22 22 ILE HA H 1 4.122 0.000 . . . . . . A 22 ILE HA . 30651 1 155 . 1 . 1 22 22 ILE HB H 1 1.680 0.000 . . . . . . A 22 ILE HB . 30651 1 156 . 1 . 1 22 22 ILE HG12 H 1 1.765 0.000 . . . . . . A 22 ILE HG12 . 30651 1 157 . 1 . 1 22 22 ILE HG13 H 1 1.156 0.000 . . . . . . A 22 ILE HG13 . 30651 1 158 . 1 . 1 22 22 ILE HG21 H 1 0.951 0.000 . . . . . . A 22 ILE HG21 . 30651 1 159 . 1 . 1 22 22 ILE HG22 H 1 0.951 0.000 . . . . . . A 22 ILE HG22 . 30651 1 160 . 1 . 1 22 22 ILE HG23 H 1 0.951 0.000 . . . . . . A 22 ILE HG23 . 30651 1 161 . 1 . 1 22 22 ILE HD11 H 1 0.888 0.000 . . . . . . A 22 ILE HD11 . 30651 1 162 . 1 . 1 22 22 ILE HD12 H 1 0.888 0.000 . . . . . . A 22 ILE HD12 . 30651 1 163 . 1 . 1 22 22 ILE HD13 H 1 0.888 0.000 . . . . . . A 22 ILE HD13 . 30651 1 164 . 1 . 1 23 23 PRO HA H 1 4.520 0.000 . . . . . . A 23 PRO HA . 30651 1 165 . 1 . 1 23 23 PRO HB2 H 1 1.975 0.000 . . . . . . A 23 PRO HB2 . 30651 1 166 . 1 . 1 23 23 PRO HB3 H 1 2.226 0.000 . . . . . . A 23 PRO HB3 . 30651 1 167 . 1 . 1 23 23 PRO HG2 H 1 2.145 0.000 . . . . . . A 23 PRO HG2 . 30651 1 168 . 1 . 1 23 23 PRO HG3 H 1 1.992 0.000 . . . . . . A 23 PRO HG3 . 30651 1 169 . 1 . 1 23 23 PRO HD2 H 1 3.918 0.000 . . . . . . A 23 PRO HD2 . 30651 1 170 . 1 . 1 23 23 PRO HD3 H 1 3.642 0.000 . . . . . . A 23 PRO HD3 . 30651 1 171 . 1 . 1 24 24 THR H H 1 7.846 0.000 . . . . . . A 24 THR H . 30651 1 172 . 1 . 1 24 24 THR HA H 1 4.318 0.000 . . . . . . A 24 THR HA . 30651 1 173 . 1 . 1 24 24 THR HB H 1 4.243 0.000 . . . . . . A 24 THR HB . 30651 1 174 . 1 . 1 24 24 THR HG21 H 1 1.211 0.000 . . . . . . A 24 THR HG21 . 30651 1 175 . 1 . 1 24 24 THR HG22 H 1 1.211 0.000 . . . . . . A 24 THR HG22 . 30651 1 176 . 1 . 1 24 24 THR HG23 H 1 1.211 0.000 . . . . . . A 24 THR HG23 . 30651 1 177 . 1 . 1 25 25 LEU H H 1 7.936 0.000 . . . . . . A 25 LEU H . 30651 1 178 . 1 . 1 25 25 LEU HA H 1 4.703 0.000 . . . . . . A 25 LEU HA . 30651 1 179 . 1 . 1 25 25 LEU HB2 H 1 1.649 0.000 . . . . . . A 25 LEU HB2 . 30651 1 180 . 1 . 1 25 25 LEU HB3 H 1 1.591 0.000 . . . . . . A 25 LEU HB3 . 30651 1 181 . 1 . 1 25 25 LEU HG H 1 1.816 0.000 . . . . . . A 25 LEU HG . 30651 1 182 . 1 . 1 25 25 LEU HD11 H 1 0.960 0.000 . . . . . . A 25 LEU HD11 . 30651 1 183 . 1 . 1 25 25 LEU HD12 H 1 0.960 0.000 . . . . . . A 25 LEU HD12 . 30651 1 184 . 1 . 1 25 25 LEU HD13 H 1 0.960 0.000 . . . . . . A 25 LEU HD13 . 30651 1 185 . 1 . 1 25 25 LEU HD21 H 1 0.960 0.000 . . . . . . A 25 LEU HD21 . 30651 1 186 . 1 . 1 25 25 LEU HD22 H 1 0.960 0.000 . . . . . . A 25 LEU HD22 . 30651 1 187 . 1 . 1 25 25 LEU HD23 H 1 0.960 0.000 . . . . . . A 25 LEU HD23 . 30651 1 188 . 1 . 1 26 26 PRO HA H 1 4.669 0.000 . . . . . . A 26 PRO HA . 30651 1 189 . 1 . 1 26 26 PRO HB2 H 1 2.275 0.000 . . . . . . A 26 PRO HB2 . 30651 1 190 . 1 . 1 26 26 PRO HB3 H 1 1.993 0.000 . . . . . . A 26 PRO HB3 . 30651 1 191 . 1 . 1 26 26 PRO HG2 H 1 2.105 0.000 . . . . . . A 26 PRO HG2 . 30651 1 192 . 1 . 1 26 26 PRO HG3 H 1 2.004 0.000 . . . . . . A 26 PRO HG3 . 30651 1 193 . 1 . 1 26 26 PRO HD2 H 1 3.903 0.000 . . . . . . A 26 PRO HD2 . 30651 1 194 . 1 . 1 26 26 PRO HD3 H 1 3.642 0.000 . . . . . . A 26 PRO HD3 . 30651 1 195 . 1 . 1 27 27 PRO HA H 1 4.449 0.000 . . . . . . A 27 PRO HA . 30651 1 196 . 1 . 1 27 27 PRO HB2 H 1 1.977 0.000 . . . . . . A 27 PRO HB2 . 30651 1 197 . 1 . 1 27 27 PRO HB3 H 1 2.239 0.000 . . . . . . A 27 PRO HB3 . 30651 1 198 . 1 . 1 27 27 PRO HG2 H 1 2.089 0.000 . . . . . . A 27 PRO HG2 . 30651 1 199 . 1 . 1 27 27 PRO HG3 H 1 2.022 0.000 . . . . . . A 27 PRO HG3 . 30651 1 200 . 1 . 1 27 27 PRO HD2 H 1 3.799 0.000 . . . . . . A 27 PRO HD2 . 30651 1 201 . 1 . 1 27 27 PRO HD3 H 1 3.652 0.000 . . . . . . A 27 PRO HD3 . 30651 1 202 . 1 . 1 28 28 LEU H H 1 8.271 0.000 . . . . . . A 28 LEU H . 30651 1 203 . 1 . 1 28 28 LEU HA H 1 4.362 0.000 . . . . . . A 28 LEU HA . 30651 1 204 . 1 . 1 28 28 LEU HB2 H 1 1.754 0.000 . . . . . . A 28 LEU HB2 . 30651 1 205 . 1 . 1 28 28 LEU HB3 H 1 1.655 0.000 . . . . . . A 28 LEU HB3 . 30651 1 206 . 1 . 1 28 28 LEU HG H 1 0.980 0.000 . . . . . . A 28 LEU HG . 30651 1 207 . 1 . 1 28 28 LEU HD11 H 1 0.937 0.000 . . . . . . A 28 LEU HD11 . 30651 1 208 . 1 . 1 28 28 LEU HD12 H 1 0.937 0.000 . . . . . . A 28 LEU HD12 . 30651 1 209 . 1 . 1 28 28 LEU HD13 H 1 0.937 0.000 . . . . . . A 28 LEU HD13 . 30651 1 210 . 1 . 1 28 28 LEU HD21 H 1 0.937 0.000 . . . . . . A 28 LEU HD21 . 30651 1 211 . 1 . 1 28 28 LEU HD22 H 1 0.937 0.000 . . . . . . A 28 LEU HD22 . 30651 1 212 . 1 . 1 28 28 LEU HD23 H 1 0.937 0.000 . . . . . . A 28 LEU HD23 . 30651 1 213 . 1 . 1 29 29 THR H H 1 7.781 0.000 . . . . . . A 29 THR H . 30651 1 214 . 1 . 1 29 29 THR HA H 1 4.300 0.000 . . . . . . A 29 THR HA . 30651 1 215 . 1 . 1 29 29 THR HB H 1 4.281 0.000 . . . . . . A 29 THR HB . 30651 1 216 . 1 . 1 29 29 THR HG21 H 1 1.207 0.000 . . . . . . A 29 THR HG21 . 30651 1 217 . 1 . 1 29 29 THR HG22 H 1 1.207 0.000 . . . . . . A 29 THR HG22 . 30651 1 218 . 1 . 1 29 29 THR HG23 H 1 1.207 0.000 . . . . . . A 29 THR HG23 . 30651 1 219 . 1 . 1 30 30 GLY H H 1 8.392 0.000 . . . . . . A 30 GLY H . 30651 1 220 . 1 . 1 30 30 GLY HA2 H 1 3.917 0.000 . . . . . . A 30 GLY HA2 . 30651 1 221 . 1 . 1 30 30 GLY HA3 H 1 3.892 0.000 . . . . . . A 30 GLY HA3 . 30651 1 222 . 1 . 1 31 31 GLY H H 1 8.344 0.000 . . . . . . A 31 GLY H . 30651 1 223 . 1 . 1 31 31 GLY HA2 H 1 3.871 0.000 . . . . . . A 31 GLY HA2 . 30651 1 224 . 1 . 1 31 31 GLY HA3 H 1 3.828 0.000 . . . . . . A 31 GLY HA3 . 30651 1 225 . 1 . 1 32 32 HIS H H 1 7.995 0.000 . . . . . . A 32 HIS H . 30651 1 226 . 1 . 1 32 32 HIS HA H 1 4.743 0.000 . . . . . . A 32 HIS HA . 30651 1 227 . 1 . 1 32 32 HIS HB2 H 1 3.319 0.000 . . . . . . A 32 HIS HB2 . 30651 1 228 . 1 . 1 32 32 HIS HB3 H 1 3.179 0.000 . . . . . . A 32 HIS HB3 . 30651 1 229 . 1 . 1 32 32 HIS HD2 H 1 7.403 0.000 . . . . . . A 32 HIS HD2 . 30651 1 230 . 1 . 1 32 32 HIS HE1 H 1 8.775 0.000 . . . . . . A 32 HIS HE1 . 30651 1 231 . 1 . 1 33 33 ALA H H 1 8.428 0.000 . . . . . . A 33 ALA H . 30651 1 232 . 1 . 1 33 33 ALA HA H 1 4.397 0.000 . . . . . . A 33 ALA HA . 30651 1 233 . 1 . 1 33 33 ALA HB1 H 1 1.439 0.000 . . . . . . A 33 ALA HB1 . 30651 1 234 . 1 . 1 33 33 ALA HB2 H 1 1.439 0.000 . . . . . . A 33 ALA HB2 . 30651 1 235 . 1 . 1 33 33 ALA HB3 H 1 1.439 0.000 . . . . . . A 33 ALA HB3 . 30651 1 stop_ save_