################################### # 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 19101 _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 0.01 _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-15N HSQC' . . . 19101 1 2 '2D 1H-1H TOCSY' . . . 19101 1 3 '2D 1H-1H COSY' . . . 19101 1 4 '2D 1H-1H NOESY' . . . 19101 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 FME HA H 1 4.5162 0.010 . 1 . . . A 1 FME HA . 19101 1 2 . 1 1 1 1 FME HB2 H 1 2.1498 0.010 . 2 . . . A 1 FME HB2 . 19101 1 3 . 1 1 1 1 FME HB3 H 1 2.0924 0.010 . 2 . . . A 1 FME HB3 . 19101 1 4 . 1 1 1 1 FME HG2 H 1 2.7265 0.010 . 2 . . . A 1 FME HG2 . 19101 1 5 . 1 1 1 1 FME HG3 H 1 2.6173 0.010 . 2 . . . A 1 FME HG3 . 19101 1 6 . 1 1 2 2 GLY H H 1 8.8423 0.010 . 1 . . . A 2 GLY H . 19101 1 7 . 1 1 2 2 GLY HA2 H 1 4.0082 0.010 . 2 . . . A 2 GLY HA2 . 19101 1 8 . 1 1 3 3 ALA H H 1 8.1981 0.010 . 1 . . . A 3 ALA H . 19101 1 9 . 1 1 3 3 ALA HA H 1 4.1368 0.010 . 1 . . . A 3 ALA HA . 19101 1 10 . 1 1 3 3 ALA HB1 H 1 1.4430 0.010 . 1 . . . A 3 ALA HB1 . 19101 1 11 . 1 1 3 3 ALA HB2 H 1 1.4430 0.010 . 1 . . . A 3 ALA HB2 . 19101 1 12 . 1 1 3 3 ALA HB3 H 1 1.4430 0.010 . 1 . . . A 3 ALA HB3 . 19101 1 13 . 1 1 4 4 ILE H H 1 7.9569 0.010 . 1 . . . A 4 ILE H . 19101 1 14 . 1 1 4 4 ILE HA H 1 3.8142 0.010 . 1 . . . A 4 ILE HA . 19101 1 15 . 1 1 4 4 ILE HB H 1 2.2133 0.010 . 1 . . . A 4 ILE HB . 19101 1 16 . 1 1 4 4 ILE HG12 H 1 1.6411 0.010 . 2 . . . A 4 ILE HG12 . 19101 1 17 . 1 1 4 4 ILE HG13 H 1 1.5138 0.010 . 2 . . . A 4 ILE HG13 . 19101 1 18 . 1 1 4 4 ILE HG21 H 1 1.0380 0.010 . 1 . . . A 4 ILE HG21 . 19101 1 19 . 1 1 4 4 ILE HG22 H 1 1.0380 0.010 . 1 . . . A 4 ILE HG22 . 19101 1 20 . 1 1 4 4 ILE HG23 H 1 1.0380 0.010 . 1 . . . A 4 ILE HG23 . 19101 1 21 . 1 1 4 4 ILE HD11 H 1 0.7709 0.010 . 1 . . . A 4 ILE HD11 . 19101 1 22 . 1 1 4 4 ILE HD12 H 1 0.7709 0.010 . 1 . . . A 4 ILE HD12 . 19101 1 23 . 1 1 4 4 ILE HD13 H 1 0.7709 0.010 . 1 . . . A 4 ILE HD13 . 19101 1 24 . 1 1 5 5 ALA H H 1 7.9837 0.010 . 1 . . . A 5 ALA H . 19101 1 25 . 1 1 5 5 ALA HA H 1 4.0515 0.010 . 1 . . . A 5 ALA HA . 19101 1 26 . 1 1 5 5 ALA HB1 H 1 1.5076 0.010 . 1 . . . A 5 ALA HB1 . 19101 1 27 . 1 1 5 5 ALA HB2 H 1 1.5076 0.010 . 1 . . . A 5 ALA HB2 . 19101 1 28 . 1 1 5 5 ALA HB3 H 1 1.5076 0.010 . 1 . . . A 5 ALA HB3 . 19101 1 29 . 1 1 6 6 LYS H H 1 7.7750 0.010 . 1 . . . A 6 LYS H . 19101 1 30 . 1 1 6 6 LYS HA H 1 4.1103 0.010 . 1 . . . A 6 LYS HA . 19101 1 31 . 1 1 6 6 LYS HB2 H 1 2.0279 0.010 . 2 . . . A 6 LYS HB2 . 19101 1 32 . 1 1 6 6 LYS HB3 H 1 1.8899 0.010 . 2 . . . A 6 LYS HB3 . 19101 1 33 . 1 1 6 6 LYS HG2 H 1 1.7174 0.010 . 2 . . . A 6 LYS HG2 . 19101 1 34 . 1 1 6 6 LYS HG3 H 1 1.6511 0.010 . 2 . . . A 6 LYS HG3 . 19101 1 35 . 1 1 6 6 LYS HD2 H 1 1.5930 0.010 . 2 . . . A 6 LYS HD2 . 19101 1 36 . 1 1 6 6 LYS HD3 H 1 1.4366 0.010 . 2 . . . A 6 LYS HD3 . 19101 1 37 . 1 1 6 6 LYS HE2 H 1 2.9474 0.010 . 2 . . . A 6 LYS HE2 . 19101 1 38 . 1 1 6 6 LYS HE3 H 1 2.9477 0.010 . 2 . . . A 6 LYS HE3 . 19101 1 39 . 1 1 7 7 LEU H H 1 8.1498 0.010 . 1 . . . A 7 LEU H . 19101 1 40 . 1 1 7 7 LEU HA H 1 4.3101 0.010 . 1 . . . A 7 LEU HA . 19101 1 41 . 1 1 7 7 LEU HB2 H 1 2.2919 0.010 . 2 . . . A 7 LEU HB2 . 19101 1 42 . 1 1 7 7 LEU HG H 1 2.1325 0.010 . 1 . . . A 7 LEU HG . 19101 1 43 . 1 1 7 7 LEU HD11 H 1 1.5845 0.010 . 2 . . . A 7 LEU HD11 . 19101 1 44 . 1 1 7 7 LEU HD12 H 1 1.5845 0.010 . 2 . . . A 7 LEU HD12 . 19101 1 45 . 1 1 7 7 LEU HD13 H 1 1.5845 0.010 . 2 . . . A 7 LEU HD13 . 19101 1 46 . 1 1 7 7 LEU HD21 H 1 1.1064 0.010 . 2 . . . A 7 LEU HD21 . 19101 1 47 . 1 1 7 7 LEU HD22 H 1 1.1064 0.010 . 2 . . . A 7 LEU HD22 . 19101 1 48 . 1 1 7 7 LEU HD23 H 1 1.1064 0.010 . 2 . . . A 7 LEU HD23 . 19101 1 49 . 1 1 8 8 VAL H H 1 9.0110 0.010 . 1 . . . A 8 VAL H . 19101 1 50 . 1 1 8 8 VAL HA H 1 3.3753 0.010 . 1 . . . A 8 VAL HA . 19101 1 51 . 1 1 8 8 VAL HB H 1 2.0253 0.010 . 1 . . . A 8 VAL HB . 19101 1 52 . 1 1 8 8 VAL HG11 H 1 0.7218 0.010 . 2 . . . A 8 VAL HG11 . 19101 1 53 . 1 1 8 8 VAL HG12 H 1 0.7218 0.010 . 2 . . . A 8 VAL HG12 . 19101 1 54 . 1 1 8 8 VAL HG13 H 1 0.7218 0.010 . 2 . . . A 8 VAL HG13 . 19101 1 55 . 1 1 8 8 VAL HG21 H 1 0.6870 0.010 . 2 . . . A 8 VAL HG21 . 19101 1 56 . 1 1 8 8 VAL HG22 H 1 0.6870 0.010 . 2 . . . A 8 VAL HG22 . 19101 1 57 . 1 1 8 8 VAL HG23 H 1 0.6870 0.010 . 2 . . . A 8 VAL HG23 . 19101 1 58 . 1 1 9 9 ALA H H 1 7.8428 0.010 . 1 . . . A 9 ALA H . 19101 1 59 . 1 1 9 9 ALA HA H 1 4.1262 0.010 . 1 . . . A 9 ALA HA . 19101 1 60 . 1 1 9 9 ALA HB1 H 1 1.5159 0.010 . 1 . . . A 9 ALA HB1 . 19101 1 61 . 1 1 9 9 ALA HB2 H 1 1.5159 0.010 . 1 . . . A 9 ALA HB2 . 19101 1 62 . 1 1 9 9 ALA HB3 H 1 1.5159 0.010 . 1 . . . A 9 ALA HB3 . 19101 1 63 . 1 1 10 10 LYS H H 1 7.1763 0.010 . 1 . . . A 10 LYS H . 19101 1 64 . 1 1 10 10 LYS HA H 1 4.1335 0.010 . 1 . . . A 10 LYS HA . 19101 1 65 . 1 1 10 10 LYS HB2 H 1 1.6798 0.010 . 2 . . . A 10 LYS HB2 . 19101 1 66 . 1 1 10 10 LYS HB3 H 1 1.5060 0.010 . 2 . . . A 10 LYS HB3 . 19101 1 67 . 1 1 10 10 LYS HG2 H 1 0.8149 0.010 . 2 . . . A 10 LYS HG2 . 19101 1 68 . 1 1 10 10 LYS HG3 H 1 0.6546 0.010 . 2 . . . A 10 LYS HG3 . 19101 1 69 . 1 1 10 10 LYS HD2 H 1 1.3594 0.010 . 2 . . . A 10 LYS HD2 . 19101 1 70 . 1 1 10 10 LYS HD3 H 1 1.4166 0.010 . 2 . . . A 10 LYS HD3 . 19101 1 71 . 1 1 10 10 LYS HE2 H 1 2.7829 0.010 . 2 . . . A 10 LYS HE2 . 19101 1 72 . 1 1 10 10 LYS HE3 H 1 2.6892 0.010 . 2 . . . A 10 LYS HE3 . 19101 1 73 . 1 1 11 11 PHE H H 1 8.4345 0.010 . 1 . . . A 11 PHE H . 19101 1 74 . 1 1 11 11 PHE HA H 1 4.5631 0.010 . 1 . . . A 11 PHE HA . 19101 1 75 . 1 1 11 11 PHE HB2 H 1 3.3287 0.010 . 2 . . . A 11 PHE HB2 . 19101 1 76 . 1 1 11 11 PHE HB3 H 1 2.9417 0.010 . 2 . . . A 11 PHE HB3 . 19101 1 77 . 1 1 11 11 PHE HD1 H 1 7.3485 0.010 . 3 . . . A 11 PHE HD1 . 19101 1 78 . 1 1 11 11 PHE HE1 H 1 7.1857 0.010 . 3 . . . A 11 PHE HE1 . 19101 1 79 . 1 1 11 11 PHE HZ H 1 7.3048 0.010 . 1 . . . A 11 PHE HZ . 19101 1 80 . 1 1 12 12 GLY H H 1 8.6619 0.010 . 1 . . . A 12 GLY H . 19101 1 81 . 1 1 12 12 GLY HA2 H 1 4.6586 0.010 . 2 . . . A 12 GLY HA2 . 19101 1 82 . 1 1 12 12 GLY HA3 H 1 4.0403 0.010 . 2 . . . A 12 GLY HA3 . 19101 1 83 . 1 1 13 13 TRP H H 1 9.2687 0.010 . 1 . . . A 13 TRP H . 19101 1 84 . 1 1 13 13 TRP HA H 1 4.8921 0.010 . 1 . . . A 13 TRP HA . 19101 1 85 . 1 1 13 13 TRP HB2 H 1 3.4020 0.010 . 2 . . . A 13 TRP HB2 . 19101 1 86 . 1 1 13 13 TRP HD1 H 1 7.2981 0.010 . 1 . . . A 13 TRP HD1 . 19101 1 87 . 1 1 13 13 TRP HE1 H 1 10.1717 0.010 . 1 . . . A 13 TRP HE1 . 19101 1 88 . 1 1 13 13 TRP HE3 H 1 6.8695 0.010 . 1 . . . A 13 TRP HE3 . 19101 1 89 . 1 1 13 13 TRP HZ2 H 1 7.4176 0.010 . 1 . . . A 13 TRP HZ2 . 19101 1 90 . 1 1 13 13 TRP HZ3 H 1 7.6502 0.010 . 1 . . . A 13 TRP HZ3 . 19101 1 91 . 1 1 13 13 TRP HH2 H 1 6.9636 0.010 . 1 . . . A 13 TRP HH2 . 19101 1 92 . 1 1 14 14 PRO HB2 H 1 2.2942 0.010 . 2 . . . A 14 PRO HB2 . 19101 1 93 . 1 1 14 14 PRO HB3 H 1 2.0396 0.010 . 2 . . . A 14 PRO HB3 . 19101 1 94 . 1 1 14 14 PRO HG2 H 1 2.3520 0.010 . 2 . . . A 14 PRO HG2 . 19101 1 95 . 1 1 14 14 PRO HG3 H 1 1.9205 0.010 . 2 . . . A 14 PRO HG3 . 19101 1 96 . 1 1 14 14 PRO HD2 H 1 4.0612 0.010 . 2 . . . A 14 PRO HD2 . 19101 1 97 . 1 1 14 14 PRO HD3 H 1 3.9800 0.010 . 2 . . . A 14 PRO HD3 . 19101 1 98 . 1 1 15 15 PHE H H 1 8.1040 0.010 . 1 . . . A 15 PHE H . 19101 1 99 . 1 1 15 15 PHE HA H 1 4.2927 0.010 . 1 . . . A 15 PHE HA . 19101 1 100 . 1 1 15 15 PHE HB2 H 1 3.3620 0.010 . 2 . . . A 15 PHE HB2 . 19101 1 101 . 1 1 15 15 PHE HB3 H 1 3.0126 0.010 . 2 . . . A 15 PHE HB3 . 19101 1 102 . 1 1 15 15 PHE HD1 H 1 7.1957 0.010 . 3 . . . A 15 PHE HD1 . 19101 1 103 . 1 1 15 15 PHE HE1 H 1 7.1460 0.010 . 3 . . . A 15 PHE HE1 . 19101 1 104 . 1 1 15 15 PHE HZ H 1 7.2300 0.010 . 1 . . . A 15 PHE HZ . 19101 1 105 . 1 1 16 16 ILE H H 1 7.6294 0.010 . 1 . . . A 16 ILE H . 19101 1 106 . 1 1 16 16 ILE HA H 1 3.7456 0.010 . 1 . . . A 16 ILE HA . 19101 1 107 . 1 1 16 16 ILE HB H 1 2.3093 0.010 . 1 . . . A 16 ILE HB . 19101 1 108 . 1 1 16 16 ILE HG21 H 1 1.0043 0.010 . 1 . . . A 16 ILE HG21 . 19101 1 109 . 1 1 16 16 ILE HG22 H 1 1.0043 0.010 . 1 . . . A 16 ILE HG22 . 19101 1 110 . 1 1 16 16 ILE HG23 H 1 1.0043 0.010 . 1 . . . A 16 ILE HG23 . 19101 1 111 . 1 1 17 17 LYS H H 1 9.0008 0.010 . 1 . . . A 17 LYS H . 19101 1 112 . 1 1 17 17 LYS HA H 1 3.5251 0.010 . 1 . . . A 17 LYS HA . 19101 1 113 . 1 1 17 17 LYS HB2 H 1 1.1721 0.010 . 2 . . . A 17 LYS HB2 . 19101 1 114 . 1 1 17 17 LYS HB3 H 1 0.9527 0.010 . 2 . . . A 17 LYS HB3 . 19101 1 115 . 1 1 17 17 LYS HG2 H 1 1.4366 0.010 . 2 . . . A 17 LYS HG2 . 19101 1 116 . 1 1 17 17 LYS HG3 H 1 1.1758 0.010 . 2 . . . A 17 LYS HG3 . 19101 1 117 . 1 1 18 18 LYS H H 1 7.2574 0.010 . 1 . . . A 18 LYS H . 19101 1 118 . 1 1 18 18 LYS HA H 1 3.7896 0.010 . 1 . . . A 18 LYS HA . 19101 1 119 . 1 1 18 18 LYS HB2 H 1 1.5190 0.010 . 2 . . . A 18 LYS HB2 . 19101 1 120 . 1 1 18 18 LYS HB3 H 1 1.4203 0.010 . 2 . . . A 18 LYS HB3 . 19101 1 121 . 1 1 18 18 LYS HG2 H 1 1.0120 0.010 . 2 . . . A 18 LYS HG2 . 19101 1 122 . 1 1 18 18 LYS HG3 H 1 0.5135 0.010 . 2 . . . A 18 LYS HG3 . 19101 1 123 . 1 1 18 18 LYS HD2 H 1 1.3628 0.010 . 2 . . . A 18 LYS HD2 . 19101 1 124 . 1 1 18 18 LYS HE2 H 1 2.7264 0.010 . 2 . . . A 18 LYS HE2 . 19101 1 125 . 1 1 19 19 PHE H H 1 7.1573 0.010 . 1 . . . A 19 PHE H . 19101 1 126 . 1 1 19 19 PHE HA H 1 5.0408 0.010 . 1 . . . A 19 PHE HA . 19101 1 127 . 1 1 19 19 PHE HB2 H 1 2.9265 0.010 . 2 . . . A 19 PHE HB2 . 19101 1 128 . 1 1 19 19 PHE HD1 H 1 6.9250 0.010 . 3 . . . A 19 PHE HD1 . 19101 1 129 . 1 1 19 19 PHE HE1 H 1 7.1909 0.010 . 3 . . . A 19 PHE HE1 . 19101 1 130 . 1 1 19 19 PHE HZ H 1 7.3403 0.010 . 1 . . . A 19 PHE HZ . 19101 1 131 . 1 1 20 20 TYR H H 1 7.3936 0.010 . 1 . . . A 20 TYR H . 19101 1 132 . 1 1 20 20 TYR HA H 1 3.7554 0.010 . 1 . . . A 20 TYR HA . 19101 1 133 . 1 1 20 20 TYR HB2 H 1 3.3650 0.010 . 2 . . . A 20 TYR HB2 . 19101 1 134 . 1 1 20 20 TYR HB3 H 1 2.9539 0.010 . 2 . . . A 20 TYR HB3 . 19101 1 135 . 1 1 20 20 TYR HD1 H 1 6.9765 0.010 . 3 . . . A 20 TYR HD1 . 19101 1 136 . 1 1 20 20 TYR HE1 H 1 6.8631 0.010 . 3 . . . A 20 TYR HE1 . 19101 1 137 . 1 1 21 21 LYS H H 1 8.4317 0.010 . 1 . . . A 21 LYS H . 19101 1 138 . 1 1 21 21 LYS HA H 1 3.7398 0.010 . 1 . . . A 21 LYS HA . 19101 1 139 . 1 1 21 21 LYS HB2 H 1 1.7861 0.010 . 2 . . . A 21 LYS HB2 . 19101 1 140 . 1 1 21 21 LYS HB3 H 1 1.6400 0.010 . 2 . . . A 21 LYS HB3 . 19101 1 141 . 1 1 21 21 LYS HG2 H 1 1.5032 0.010 . 2 . . . A 21 LYS HG2 . 19101 1 142 . 1 1 21 21 LYS HG3 H 1 1.3031 0.010 . 2 . . . A 21 LYS HG3 . 19101 1 143 . 1 1 21 21 LYS HE2 H 1 2.9513 0.010 . 2 . . . A 21 LYS HE2 . 19101 1 144 . 1 1 22 22 GLN H H 1 7.9143 0.010 . 1 . . . A 22 GLN H . 19101 1 145 . 1 1 22 22 GLN HA H 1 3.3269 0.010 . 1 . . . A 22 GLN HA . 19101 1 146 . 1 1 22 22 GLN HB2 H 1 1.8926 0.010 . 2 . . . A 22 GLN HB2 . 19101 1 147 . 1 1 22 22 GLN HB3 H 1 1.7394 0.010 . 2 . . . A 22 GLN HB3 . 19101 1 148 . 1 1 22 22 GLN HG2 H 1 2.2259 0.010 . 2 . . . A 22 GLN HG2 . 19101 1 149 . 1 1 22 22 GLN HG3 H 1 1.1366 0.010 . 2 . . . A 22 GLN HG3 . 19101 1 150 . 1 1 22 22 GLN HE21 H 1 7.1718 0.010 . 2 . . . A 22 GLN HE21 . 19101 1 151 . 1 1 22 22 GLN HE22 H 1 6.6635 0.010 . 2 . . . A 22 GLN HE22 . 19101 1 152 . 1 1 23 23 ILE H H 1 8.3382 0.010 . 1 . . . A 23 ILE H . 19101 1 153 . 1 1 23 23 ILE HA H 1 3.1601 0.010 . 1 . . . A 23 ILE HA . 19101 1 154 . 1 1 23 23 ILE HB H 1 1.6828 0.010 . 1 . . . A 23 ILE HB . 19101 1 155 . 1 1 23 23 ILE HG12 H 1 1.7999 0.010 . 2 . . . A 23 ILE HG12 . 19101 1 156 . 1 1 23 23 ILE HG21 H 1 0.7269 0.010 . 1 . . . A 23 ILE HG21 . 19101 1 157 . 1 1 23 23 ILE HG22 H 1 0.7269 0.010 . 1 . . . A 23 ILE HG22 . 19101 1 158 . 1 1 23 23 ILE HG23 H 1 0.7269 0.010 . 1 . . . A 23 ILE HG23 . 19101 1 159 . 1 1 23 23 ILE HD11 H 1 0.9680 0.010 . 1 . . . A 23 ILE HD11 . 19101 1 160 . 1 1 23 23 ILE HD12 H 1 0.9680 0.010 . 1 . . . A 23 ILE HD12 . 19101 1 161 . 1 1 23 23 ILE HD13 H 1 0.9680 0.010 . 1 . . . A 23 ILE HD13 . 19101 1 162 . 1 1 24 24 MET H H 1 8.0456 0.010 . 1 . . . A 24 MET H . 19101 1 163 . 1 1 24 24 MET HA H 1 4.1514 0.010 . 1 . . . A 24 MET HA . 19101 1 164 . 1 1 24 24 MET HB2 H 1 1.8973 0.010 . 2 . . . A 24 MET HB2 . 19101 1 165 . 1 1 24 24 MET HB3 H 1 1.7612 0.010 . 2 . . . A 24 MET HB3 . 19101 1 166 . 1 1 24 24 MET HG2 H 1 2.3332 0.010 . 2 . . . A 24 MET HG2 . 19101 1 167 . 1 1 25 25 GLN H H 1 7.4237 0.010 . 1 . . . A 25 GLN H . 19101 1 168 . 1 1 25 25 GLN HA H 1 3.8477 0.010 . 1 . . . A 25 GLN HA . 19101 1 169 . 1 1 25 25 GLN HB2 H 1 1.9760 0.010 . 2 . . . A 25 GLN HB2 . 19101 1 170 . 1 1 25 25 GLN HB3 H 1 1.7618 0.010 . 2 . . . A 25 GLN HB3 . 19101 1 171 . 1 1 25 25 GLN HG2 H 1 2.1985 0.010 . 2 . . . A 25 GLN HG2 . 19101 1 172 . 1 1 25 25 GLN HG3 H 1 1.6407 0.010 . 2 . . . A 25 GLN HG3 . 19101 1 173 . 1 1 25 25 GLN HE21 H 1 6.9385 0.010 . 2 . . . A 25 GLN HE21 . 19101 1 174 . 1 1 25 25 GLN HE22 H 1 6.8755 0.010 . 2 . . . A 25 GLN HE22 . 19101 1 175 . 1 1 26 26 PHE H H 1 7.7854 0.010 . 1 . . . A 26 PHE H . 19101 1 176 . 1 1 26 26 PHE HA H 1 3.6447 0.010 . 1 . . . A 26 PHE HA . 19101 1 177 . 1 1 26 26 PHE HB2 H 1 2.5298 0.010 . 2 . . . A 26 PHE HB2 . 19101 1 178 . 1 1 26 26 PHE HB3 H 1 2.2284 0.010 . 2 . . . A 26 PHE HB3 . 19101 1 179 . 1 1 26 26 PHE HD1 H 1 5.7042 0.010 . 3 . . . A 26 PHE HD1 . 19101 1 180 . 1 1 26 26 PHE HE1 H 1 5.5341 0.010 . 3 . . . A 26 PHE HE1 . 19101 1 181 . 1 1 26 26 PHE HZ H 1 5.4445 0.010 . 1 . . . A 26 PHE HZ . 19101 1 182 . 1 1 27 27 ILE H H 1 8.6719 0.010 . 1 . . . A 27 ILE H . 19101 1 183 . 1 1 27 27 ILE HA H 1 3.7642 0.010 . 1 . . . A 27 ILE HA . 19101 1 184 . 1 1 27 27 ILE HB H 1 1.8606 0.010 . 1 . . . A 27 ILE HB . 19101 1 185 . 1 1 27 27 ILE HG12 H 1 1.7656 0.010 . 2 . . . A 27 ILE HG12 . 19101 1 186 . 1 1 27 27 ILE HG13 H 1 0.7792 0.010 . 2 . . . A 27 ILE HG13 . 19101 1 187 . 1 1 27 27 ILE HG21 H 1 0.9176 0.010 . 1 . . . A 27 ILE HG21 . 19101 1 188 . 1 1 27 27 ILE HG22 H 1 0.9176 0.010 . 1 . . . A 27 ILE HG22 . 19101 1 189 . 1 1 27 27 ILE HG23 H 1 0.9176 0.010 . 1 . . . A 27 ILE HG23 . 19101 1 190 . 1 1 27 27 ILE HD11 H 1 0.9496 0.010 . 1 . . . A 27 ILE HD11 . 19101 1 191 . 1 1 27 27 ILE HD12 H 1 0.9496 0.010 . 1 . . . A 27 ILE HD12 . 19101 1 192 . 1 1 27 27 ILE HD13 H 1 0.9496 0.010 . 1 . . . A 27 ILE HD13 . 19101 1 193 . 1 1 28 28 GLY H H 1 8.0492 0.010 . 1 . . . A 28 GLY H . 19101 1 194 . 1 1 28 28 GLY HA2 H 1 3.9644 0.010 . 2 . . . A 28 GLY HA2 . 19101 1 195 . 1 1 29 29 GLN H H 1 7.6348 0.010 . 1 . . . A 29 GLN H . 19101 1 196 . 1 1 29 29 GLN HA H 1 4.4495 0.010 . 1 . . . A 29 GLN HA . 19101 1 197 . 1 1 29 29 GLN HB2 H 1 2.0955 0.010 . 2 . . . A 29 GLN HB2 . 19101 1 198 . 1 1 29 29 GLN HG2 H 1 2.4807 0.010 . 2 . . . A 29 GLN HG2 . 19101 1 199 . 1 1 29 29 GLN HE21 H 1 7.0301 0.010 . 2 . . . A 29 GLN HE21 . 19101 1 200 . 1 1 29 29 GLN HE22 H 1 6.7030 0.010 . 2 . . . A 29 GLN HE22 . 19101 1 201 . 1 1 30 30 GLY H H 1 8.0131 0.010 . 1 . . . A 30 GLY H . 19101 1 202 . 1 1 30 30 GLY HA2 H 1 4.3448 0.010 . 2 . . . A 30 GLY HA2 . 19101 1 203 . 1 1 30 30 GLY HA3 H 1 3.9188 0.010 . 2 . . . A 30 GLY HA3 . 19101 1 204 . 1 1 31 31 TRP H H 1 8.3972 0.010 . 1 . . . A 31 TRP H . 19101 1 205 . 1 1 31 31 TRP HA H 1 4.7417 0.010 . 1 . . . A 31 TRP HA . 19101 1 206 . 1 1 31 31 TRP HB2 H 1 3.1480 0.010 . 2 . . . A 31 TRP HB2 . 19101 1 207 . 1 1 31 31 TRP HB3 H 1 2.6283 0.010 . 2 . . . A 31 TRP HB3 . 19101 1 208 . 1 1 31 31 TRP HD1 H 1 7.0266 0.010 . 1 . . . A 31 TRP HD1 . 19101 1 209 . 1 1 31 31 TRP HE1 H 1 9.9992 0.010 . 1 . . . A 31 TRP HE1 . 19101 1 210 . 1 1 31 31 TRP HE3 H 1 6.4890 0.010 . 1 . . . A 31 TRP HE3 . 19101 1 211 . 1 1 31 31 TRP HZ2 H 1 7.0844 0.010 . 1 . . . A 31 TRP HZ2 . 19101 1 212 . 1 1 31 31 TRP HZ3 H 1 5.8724 0.010 . 1 . . . A 31 TRP HZ3 . 19101 1 213 . 1 1 31 31 TRP HH2 H 1 6.4448 0.010 . 1 . . . A 31 TRP HH2 . 19101 1 214 . 1 1 32 32 THR H H 1 8.5054 0.010 . 1 . . . A 32 THR H . 19101 1 215 . 1 1 32 32 THR HA H 1 4.5188 0.010 . 1 . . . A 32 THR HA . 19101 1 216 . 1 1 32 32 THR HG21 H 1 1.3855 0.010 . 1 . . . A 32 THR HG21 . 19101 1 217 . 1 1 32 32 THR HG22 H 1 1.3855 0.010 . 1 . . . A 32 THR HG22 . 19101 1 218 . 1 1 32 32 THR HG23 H 1 1.3855 0.010 . 1 . . . A 32 THR HG23 . 19101 1 219 . 1 1 33 33 ILE H H 1 8.9159 0.010 . 1 . . . A 33 ILE H . 19101 1 220 . 1 1 33 33 ILE HA H 1 3.8766 0.010 . 1 . . . A 33 ILE HA . 19101 1 221 . 1 1 33 33 ILE HB H 1 2.0350 0.010 . 1 . . . A 33 ILE HB . 19101 1 222 . 1 1 33 33 ILE HG12 H 1 1.4599 0.010 . 2 . . . A 33 ILE HG12 . 19101 1 223 . 1 1 33 33 ILE HG21 H 1 0.9876 0.010 . 1 . . . A 33 ILE HG21 . 19101 1 224 . 1 1 33 33 ILE HG22 H 1 0.9876 0.010 . 1 . . . A 33 ILE HG22 . 19101 1 225 . 1 1 33 33 ILE HG23 H 1 0.9876 0.010 . 1 . . . A 33 ILE HG23 . 19101 1 226 . 1 1 33 33 ILE HD11 H 1 0.9822 0.010 . 1 . . . A 33 ILE HD11 . 19101 1 227 . 1 1 33 33 ILE HD12 H 1 0.9822 0.010 . 1 . . . A 33 ILE HD12 . 19101 1 228 . 1 1 33 33 ILE HD13 H 1 0.9822 0.010 . 1 . . . A 33 ILE HD13 . 19101 1 229 . 1 1 34 34 ASP H H 1 8.2320 0.010 . 1 . . . A 34 ASP H . 19101 1 230 . 1 1 34 34 ASP HA H 1 4.4127 0.010 . 1 . . . A 34 ASP HA . 19101 1 231 . 1 1 34 34 ASP HB2 H 1 2.6040 0.010 . 2 . . . A 34 ASP HB2 . 19101 1 232 . 1 1 35 35 GLN H H 1 7.7255 0.010 . 1 . . . A 35 GLN H . 19101 1 233 . 1 1 35 35 GLN HA H 1 3.8205 0.010 . 1 . . . A 35 GLN HA . 19101 1 234 . 1 1 35 35 GLN HB2 H 1 2.2856 0.010 . 2 . . . A 35 GLN HB2 . 19101 1 235 . 1 1 35 35 GLN HG2 H 1 2.1927 0.010 . 2 . . . A 35 GLN HG2 . 19101 1 236 . 1 1 35 35 GLN HG3 H 1 1.9853 0.010 . 2 . . . A 35 GLN HG3 . 19101 1 237 . 1 1 35 35 GLN HE21 H 1 6.6942 0.010 . 2 . . . A 35 GLN HE21 . 19101 1 238 . 1 1 35 35 GLN HE22 H 1 6.1734 0.010 . 2 . . . A 35 GLN HE22 . 19101 1 239 . 1 1 36 36 ILE H H 1 8.4901 0.010 . 1 . . . A 36 ILE H . 19101 1 240 . 1 1 36 36 ILE HA H 1 3.7938 0.010 . 1 . . . A 36 ILE HA . 19101 1 241 . 1 1 36 36 ILE HB H 1 2.1108 0.010 . 1 . . . A 36 ILE HB . 19101 1 242 . 1 1 36 36 ILE HG12 H 1 2.3171 0.010 . 2 . . . A 36 ILE HG12 . 19101 1 243 . 1 1 36 36 ILE HG13 H 1 0.9543 0.010 . 2 . . . A 36 ILE HG13 . 19101 1 244 . 1 1 36 36 ILE HG21 H 1 1.0620 0.010 . 1 . . . A 36 ILE HG21 . 19101 1 245 . 1 1 36 36 ILE HG22 H 1 1.0620 0.010 . 1 . . . A 36 ILE HG22 . 19101 1 246 . 1 1 36 36 ILE HG23 H 1 1.0620 0.010 . 1 . . . A 36 ILE HG23 . 19101 1 247 . 1 1 36 36 ILE HD11 H 1 0.8300 0.010 . 1 . . . A 36 ILE HD11 . 19101 1 248 . 1 1 36 36 ILE HD12 H 1 0.8300 0.010 . 1 . . . A 36 ILE HD12 . 19101 1 249 . 1 1 36 36 ILE HD13 H 1 0.8300 0.010 . 1 . . . A 36 ILE HD13 . 19101 1 250 . 1 1 37 37 GLU H H 1 9.1793 0.010 . 1 . . . A 37 GLU H . 19101 1 251 . 1 1 37 37 GLU HA H 1 4.0333 0.010 . 1 . . . A 37 GLU HA . 19101 1 252 . 1 1 37 37 GLU HB2 H 1 2.4121 0.010 . 2 . . . A 37 GLU HB2 . 19101 1 253 . 1 1 37 37 GLU HB3 H 1 2.2813 0.010 . 2 . . . A 37 GLU HB3 . 19101 1 254 . 1 1 37 37 GLU HG2 H 1 2.9910 0.010 . 2 . . . A 37 GLU HG2 . 19101 1 255 . 1 1 38 38 LYS H H 1 8.0454 0.010 . 1 . . . A 38 LYS H . 19101 1 256 . 1 1 38 38 LYS HA H 1 3.9717 0.010 . 1 . . . A 38 LYS HA . 19101 1 257 . 1 1 38 38 LYS HB2 H 1 1.8985 0.010 . 2 . . . A 38 LYS HB2 . 19101 1 258 . 1 1 38 38 LYS HB3 H 1 1.7640 0.010 . 2 . . . A 38 LYS HB3 . 19101 1 259 . 1 1 38 38 LYS HG2 H 1 1.5847 0.010 . 2 . . . A 38 LYS HG2 . 19101 1 260 . 1 1 38 38 LYS HG3 H 1 1.4386 0.010 . 2 . . . A 38 LYS HG3 . 19101 1 261 . 1 1 38 38 LYS HD2 H 1 1.6027 0.010 . 2 . . . A 38 LYS HD2 . 19101 1 262 . 1 1 38 38 LYS HE2 H 1 2.9430 0.010 . 2 . . . A 38 LYS HE2 . 19101 1 263 . 1 1 39 39 TRP H H 1 7.7629 0.010 . 1 . . . A 39 TRP H . 19101 1 264 . 1 1 39 39 TRP HA H 1 3.9133 0.010 . 1 . . . A 39 TRP HA . 19101 1 265 . 1 1 39 39 TRP HB2 H 1 3.6625 0.010 . 2 . . . A 39 TRP HB2 . 19101 1 266 . 1 1 39 39 TRP HB3 H 1 3.3914 0.010 . 2 . . . A 39 TRP HB3 . 19101 1 267 . 1 1 39 39 TRP HD1 H 1 7.4782 0.010 . 1 . . . A 39 TRP HD1 . 19101 1 268 . 1 1 39 39 TRP HE1 H 1 10.4310 0.010 . 1 . . . A 39 TRP HE1 . 19101 1 269 . 1 1 39 39 TRP HE3 H 1 7.0197 0.010 . 1 . . . A 39 TRP HE3 . 19101 1 270 . 1 1 39 39 TRP HZ2 H 1 7.3007 0.010 . 1 . . . A 39 TRP HZ2 . 19101 1 271 . 1 1 39 39 TRP HZ3 H 1 6.1913 0.010 . 1 . . . A 39 TRP HZ3 . 19101 1 272 . 1 1 39 39 TRP HH2 H 1 6.7971 0.010 . 1 . . . A 39 TRP HH2 . 19101 1 273 . 1 1 40 40 LEU H H 1 9.1098 0.010 . 1 . . . A 40 LEU H . 19101 1 274 . 1 1 40 40 LEU HA H 1 3.6690 0.010 . 1 . . . A 40 LEU HA . 19101 1 275 . 1 1 40 40 LEU HB2 H 1 1.9378 0.010 . 2 . . . A 40 LEU HB2 . 19101 1 276 . 1 1 40 40 LEU HD11 H 1 0.9811 0.010 . 2 . . . A 40 LEU HD11 . 19101 1 277 . 1 1 40 40 LEU HD12 H 1 0.9811 0.010 . 2 . . . A 40 LEU HD12 . 19101 1 278 . 1 1 40 40 LEU HD13 H 1 0.9811 0.010 . 2 . . . A 40 LEU HD13 . 19101 1 279 . 1 1 40 40 LEU HD21 H 1 0.6137 0.010 . 2 . . . A 40 LEU HD21 . 19101 1 280 . 1 1 40 40 LEU HD22 H 1 0.6137 0.010 . 2 . . . A 40 LEU HD22 . 19101 1 281 . 1 1 40 40 LEU HD23 H 1 0.6137 0.010 . 2 . . . A 40 LEU HD23 . 19101 1 282 . 1 1 41 41 LYS H H 1 7.9768 0.010 . 1 . . . A 41 LYS H . 19101 1 283 . 1 1 41 41 LYS HA H 1 4.2328 0.010 . 1 . . . A 41 LYS HA . 19101 1 284 . 1 1 41 41 LYS HB2 H 1 2.0082 0.010 . 2 . . . A 41 LYS HB2 . 19101 1 285 . 1 1 41 41 LYS HB3 H 1 1.6705 0.010 . 2 . . . A 41 LYS HB3 . 19101 1 286 . 1 1 41 41 LYS HG2 H 1 1.8268 0.010 . 2 . . . A 41 LYS HG2 . 19101 1 287 . 1 1 41 41 LYS HG3 H 1 1.7734 0.010 . 2 . . . A 41 LYS HG3 . 19101 1 288 . 1 1 42 42 ARG H H 1 7.2287 0.010 . 1 . . . A 42 ARG H . 19101 1 289 . 1 1 42 42 ARG HA H 1 4.3314 0.010 . 1 . . . A 42 ARG HA . 19101 1 290 . 1 1 42 42 ARG HB2 H 1 1.5637 0.010 . 2 . . . A 42 ARG HB2 . 19101 1 291 . 1 1 42 42 ARG HG2 H 1 1.6455 0.010 . 2 . . . A 42 ARG HG2 . 19101 1 292 . 1 1 42 42 ARG HD2 H 1 3.0886 0.010 . 2 . . . A 42 ARG HD2 . 19101 1 293 . 1 1 42 42 ARG HE H 1 7.1552 0.010 . 1 . . . A 42 ARG HE . 19101 1 294 . 1 1 43 43 HIS H H 1 7.5949 0.010 . 1 . . . A 43 HIS H . 19101 1 295 . 1 1 43 43 HIS HA H 1 4.2474 0.010 . 1 . . . A 43 HIS HA . 19101 1 296 . 1 1 43 43 HIS HB2 H 1 3.1246 0.010 . 2 . . . A 43 HIS HB2 . 19101 1 297 . 1 1 43 43 HIS HB3 H 1 2.2571 0.010 . 2 . . . A 43 HIS HB3 . 19101 1 298 . 1 1 43 43 HIS HD1 H 1 6.9275 0.010 . 1 . . . A 43 HIS HD1 . 19101 1 299 . 1 1 43 43 HIS HE1 H 1 6.1937 0.010 . 1 . . . A 43 HIS HE1 . 19101 1 stop_ save_