################################### # 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 30710 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0 _Assigned_chem_shift_list.Chem_shift_15N_err 0 _Assigned_chem_shift_list.Chem_shift_31P_err 0 _Assigned_chem_shift_list.Chem_shift_2H_err 0 _Assigned_chem_shift_list.Chem_shift_19F_err 0 _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' . . . 30710 1 2 '2D 1H-1H NOESY' . . . 30710 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 ABA HA H 1 4.104 0.000 . 1 . . . . A 1 ABA HA . 30710 1 2 . 1 . 1 1 1 ABA HG1 H 1 1.332 0.000 . 1 . . . . A 1 ABA HG1 . 30710 1 3 . 1 . 1 1 1 ABA HG2 H 1 1.332 0.000 . 1 . . . . A 1 ABA HG2 . 30710 1 4 . 1 . 1 1 1 ABA HG3 H 1 1.332 0.000 . 1 . . . . A 1 ABA HG3 . 30710 1 5 . 1 . 1 2 2 DBU HB H 1 5.838 0.011 . 1 . . . . A 2 DBU HB . 30710 1 6 . 1 . 1 2 2 DBU HG1 H 1 1.851 0.000 . 1 . . . . A 2 DBU HG1 . 30710 1 7 . 1 . 1 2 2 DBU HG2 H 1 1.851 0.000 . 1 . . . . A 2 DBU HG2 . 30710 1 8 . 1 . 1 2 2 DBU HG3 H 1 1.851 0.000 . 1 . . . . A 2 DBU HG3 . 30710 1 9 . 1 . 1 3 3 PRO HA H 1 4.370 0.001 . 1 . . . . A 3 PRO HA . 30710 1 10 . 1 . 1 3 3 PRO HB2 H 1 2.099 0.004 . 2 . . . . A 3 PRO HB2 . 30710 1 11 . 1 . 1 3 3 PRO HB3 H 1 2.404 0.001 . 2 . . . . A 3 PRO HB3 . 30710 1 12 . 1 . 1 3 3 PRO HG2 H 1 2.116 0.000 . 2 . . . . A 3 PRO HG2 . 30710 1 13 . 1 . 1 3 3 PRO HG3 H 1 2.116 0.000 . 2 . . . . A 3 PRO HG3 . 30710 1 14 . 1 . 1 3 3 PRO HD2 H 1 3.759 0.004 . 2 . . . . A 3 PRO HD2 . 30710 1 15 . 1 . 1 3 3 PRO HD3 H 1 4.016 0.003 . 2 . . . . A 3 PRO HD3 . 30710 1 16 . 1 . 1 4 4 VAL HA H 1 3.682 0.003 . 1 . . . . A 4 VAL HA . 30710 1 17 . 1 . 1 4 4 VAL HB H 1 2.290 0.003 . 1 . . . . A 4 VAL HB . 30710 1 18 . 1 . 1 4 4 VAL HG11 H 1 1.094 0.000 . 2 . . . . A 4 VAL HG11 . 30710 1 19 . 1 . 1 4 4 VAL HG12 H 1 1.094 0.000 . 2 . . . . A 4 VAL HG12 . 30710 1 20 . 1 . 1 4 4 VAL HG13 H 1 1.094 0.000 . 2 . . . . A 4 VAL HG13 . 30710 1 21 . 1 . 1 4 4 VAL HG21 H 1 1.016 0.000 . 2 . . . . A 4 VAL HG21 . 30710 1 22 . 1 . 1 4 4 VAL HG22 H 1 1.016 0.000 . 2 . . . . A 4 VAL HG22 . 30710 1 23 . 1 . 1 4 4 VAL HG23 H 1 1.016 0.000 . 2 . . . . A 4 VAL HG23 . 30710 1 24 . 1 . 1 5 5 CYS H H 1 7.520 0.006 . 1 . . . . A 5 CYS H . 30710 1 25 . 1 . 1 5 5 CYS HA H 1 4.153 0.001 . 1 . . . . A 5 CYS HA . 30710 1 26 . 1 . 1 5 5 CYS HB2 H 1 2.563 0.000 . 2 . . . . A 5 CYS HB2 . 30710 1 27 . 1 . 1 5 5 CYS HB3 H 1 3.190 0.009 . 2 . . . . A 5 CYS HB3 . 30710 1 28 . 1 . 1 6 6 ALA H H 1 8.217 0.005 . 1 . . . . A 6 ALA H . 30710 1 29 . 1 . 1 6 6 ALA HA H 1 4.029 0.001 . 1 . . . . A 6 ALA HA . 30710 1 30 . 1 . 1 6 6 ALA HB1 H 1 1.450 0.013 . 1 . . . . A 6 ALA HB1 . 30710 1 31 . 1 . 1 6 6 ALA HB2 H 1 1.450 0.013 . 1 . . . . A 6 ALA HB2 . 30710 1 32 . 1 . 1 6 6 ALA HB3 H 1 1.450 0.013 . 1 . . . . A 6 ALA HB3 . 30710 1 33 . 1 . 1 7 7 VAL H H 1 7.831 0.005 . 1 . . . . A 7 VAL H . 30710 1 34 . 1 . 1 7 7 VAL HA H 1 3.570 0.002 . 1 . . . . A 7 VAL HA . 30710 1 35 . 1 . 1 7 7 VAL HB H 1 2.165 0.002 . 1 . . . . A 7 VAL HB . 30710 1 36 . 1 . 1 7 7 VAL HG11 H 1 1.119 0.003 . 2 . . . . A 7 VAL HG11 . 30710 1 37 . 1 . 1 7 7 VAL HG12 H 1 1.119 0.003 . 2 . . . . A 7 VAL HG12 . 30710 1 38 . 1 . 1 7 7 VAL HG13 H 1 1.119 0.003 . 2 . . . . A 7 VAL HG13 . 30710 1 39 . 1 . 1 7 7 VAL HG21 H 1 0.952 0.000 . 2 . . . . A 7 VAL HG21 . 30710 1 40 . 1 . 1 7 7 VAL HG22 H 1 0.952 0.000 . 2 . . . . A 7 VAL HG22 . 30710 1 41 . 1 . 1 7 7 VAL HG23 H 1 0.952 0.000 . 2 . . . . A 7 VAL HG23 . 30710 1 42 . 1 . 1 8 8 ALA H H 1 8.051 0.002 . 1 . . . . A 8 ALA H . 30710 1 43 . 1 . 1 8 8 ALA HA H 1 4.112 0.002 . 1 . . . . A 8 ALA HA . 30710 1 44 . 1 . 1 8 8 ALA HB1 H 1 1.415 0.048 . 1 . . . . A 8 ALA HB1 . 30710 1 45 . 1 . 1 8 8 ALA HB2 H 1 1.415 0.048 . 1 . . . . A 8 ALA HB2 . 30710 1 46 . 1 . 1 8 8 ALA HB3 H 1 1.415 0.048 . 1 . . . . A 8 ALA HB3 . 30710 1 47 . 1 . 1 9 9 ALA H H 1 8.316 0.003 . 1 . . . . A 9 ALA H . 30710 1 48 . 1 . 1 9 9 ALA HA H 1 4.112 0.002 . 1 . . . . A 9 ALA HA . 30710 1 49 . 1 . 1 9 9 ALA HB1 H 1 1.572 0.001 . 1 . . . . A 9 ALA HB1 . 30710 1 50 . 1 . 1 9 9 ALA HB2 H 1 1.572 0.001 . 1 . . . . A 9 ALA HB2 . 30710 1 51 . 1 . 1 9 9 ALA HB3 H 1 1.572 0.001 . 1 . . . . A 9 ALA HB3 . 30710 1 52 . 1 . 1 10 10 DBU H H 1 9.173 0.000 . 1 . . . . A 10 DBU H . 30710 1 53 . 1 . 1 10 10 DBU HB H 1 6.296 0.000 . 1 . . . . A 10 DBU HB . 30710 1 54 . 1 . 1 10 10 DBU HG1 H 1 1.762 0.000 . 1 . . . . A 10 DBU HG1 . 30710 1 55 . 1 . 1 10 10 DBU HG2 H 1 1.762 0.000 . 1 . . . . A 10 DBU HG2 . 30710 1 56 . 1 . 1 10 10 DBU HG3 H 1 1.762 0.000 . 1 . . . . A 10 DBU HG3 . 30710 1 57 . 1 . 1 11 11 ALA H H 1 8.232 0.038 . 1 . . . . A 11 ALA H . 30710 1 58 . 1 . 1 11 11 ALA HA H 1 4.151 0.001 . 1 . . . . A 11 ALA HA . 30710 1 59 . 1 . 1 11 11 ALA HB1 H 1 1.455 0.016 . 1 . . . . A 11 ALA HB1 . 30710 1 60 . 1 . 1 11 11 ALA HB2 H 1 1.455 0.016 . 1 . . . . A 11 ALA HB2 . 30710 1 61 . 1 . 1 11 11 ALA HB3 H 1 1.455 0.016 . 1 . . . . A 11 ALA HB3 . 30710 1 62 . 1 . 1 12 12 ALA H H 1 8.036 0.005 . 1 . . . . A 12 ALA H . 30710 1 63 . 1 . 1 12 12 ALA HA H 1 4.063 0.001 . 1 . . . . A 12 ALA HA . 30710 1 64 . 1 . 1 12 12 ALA HB1 H 1 1.497 0.002 . 1 . . . . A 12 ALA HB1 . 30710 1 65 . 1 . 1 12 12 ALA HB2 H 1 1.497 0.002 . 1 . . . . A 12 ALA HB2 . 30710 1 66 . 1 . 1 12 12 ALA HB3 H 1 1.497 0.002 . 1 . . . . A 12 ALA HB3 . 30710 1 67 . 1 . 1 13 13 ALA H H 1 8.047 0.003 . 1 . . . . A 13 ALA H . 30710 1 68 . 1 . 1 13 13 ALA HA H 1 4.034 0.002 . 1 . . . . A 13 ALA HA . 30710 1 69 . 1 . 1 13 13 ALA HB1 H 1 1.512 0.004 . 1 . . . . A 13 ALA HB1 . 30710 1 70 . 1 . 1 13 13 ALA HB2 H 1 1.512 0.004 . 1 . . . . A 13 ALA HB2 . 30710 1 71 . 1 . 1 13 13 ALA HB3 H 1 1.512 0.004 . 1 . . . . A 13 ALA HB3 . 30710 1 72 . 1 . 1 14 14 ALA H H 1 7.947 0.002 . 1 . . . . A 14 ALA H . 30710 1 73 . 1 . 1 14 14 ALA HA H 1 4.311 0.001 . 1 . . . . A 14 ALA HA . 30710 1 74 . 1 . 1 15 15 DHA H H 1 9.391 0.000 . 1 . . . . A 15 DHA H . 30710 1 75 . 1 . 1 16 16 ALA H H 1 8.946 0.001 . 1 . . . . A 16 ALA H . 30710 1 76 . 1 . 1 16 16 ALA HA H 1 4.127 0.002 . 1 . . . . A 16 ALA HA . 30710 1 77 . 1 . 1 16 16 ALA HB1 H 1 1.481 0.005 . 1 . . . . A 16 ALA HB1 . 30710 1 78 . 1 . 1 16 16 ALA HB2 H 1 1.481 0.005 . 1 . . . . A 16 ALA HB2 . 30710 1 79 . 1 . 1 16 16 ALA HB3 H 1 1.481 0.005 . 1 . . . . A 16 ALA HB3 . 30710 1 80 . 1 . 1 17 17 ALA H H 1 8.318 0.001 . 1 . . . . A 17 ALA H . 30710 1 81 . 1 . 1 17 17 ALA HA H 1 4.212 0.002 . 1 . . . . A 17 ALA HA . 30710 1 82 . 1 . 1 17 17 ALA HB1 H 1 1.638 0.001 . 1 . . . . A 17 ALA HB1 . 30710 1 83 . 1 . 1 17 17 ALA HB2 H 1 1.638 0.001 . 1 . . . . A 17 ALA HB2 . 30710 1 84 . 1 . 1 17 17 ALA HB3 H 1 1.638 0.001 . 1 . . . . A 17 ALA HB3 . 30710 1 85 . 1 . 1 18 18 CYS H H 1 8.020 0.002 . 1 . . . . A 18 CYS H . 30710 1 86 . 1 . 1 18 18 CYS HA H 1 3.956 0.001 . 1 . . . . A 18 CYS HA . 30710 1 87 . 1 . 1 18 18 CYS HB2 H 1 2.884 0.003 . 2 . . . . A 18 CYS HB2 . 30710 1 88 . 1 . 1 18 18 CYS HB3 H 1 3.234 0.004 . 2 . . . . A 18 CYS HB3 . 30710 1 89 . 1 . 1 19 19 GLY H H 1 8.448 0.003 . 1 . . . . A 19 GLY H . 30710 1 90 . 1 . 1 19 19 GLY HA2 H 1 3.766 0.000 . 2 . . . . A 19 GLY HA2 . 30710 1 91 . 1 . 1 19 19 GLY HA3 H 1 3.861 0.000 . 2 . . . . A 19 GLY HA3 . 30710 1 92 . 1 . 1 20 20 TRP H H 1 8.365 0.003 . 1 . . . . A 20 TRP H . 30710 1 93 . 1 . 1 20 20 TRP HA H 1 4.483 0.002 . 1 . . . . A 20 TRP HA . 30710 1 94 . 1 . 1 20 20 TRP HB2 H 1 3.329 0.005 . 2 . . . . A 20 TRP HB2 . 30710 1 95 . 1 . 1 20 20 TRP HB3 H 1 3.400 0.003 . 2 . . . . A 20 TRP HB3 . 30710 1 96 . 1 . 1 20 20 TRP HD1 H 1 7.135 0.001 . 1 . . . . A 20 TRP HD1 . 30710 1 97 . 1 . 1 20 20 TRP HE1 H 1 10.351 0.000 . 1 . . . . A 20 TRP HE1 . 30710 1 98 . 1 . 1 20 20 TRP HE3 H 1 7.543 0.002 . 1 . . . . A 20 TRP HE3 . 30710 1 99 . 1 . 1 20 20 TRP HZ2 H 1 8.049 1.328 . 1 . . . . A 20 TRP HZ2 . 30710 1 100 . 1 . 1 20 20 TRP HZ3 H 1 6.977 0.016 . 1 . . . . A 20 TRP HZ3 . 30710 1 101 . 1 . 1 20 20 TRP HH2 H 1 7.086 0.079 . 1 . . . . A 20 TRP HH2 . 30710 1 102 . 1 . 1 21 21 VAL H H 1 8.173 0.002 . 1 . . . . A 21 VAL H . 30710 1 103 . 1 . 1 21 21 VAL HA H 1 3.771 0.001 . 1 . . . . A 21 VAL HA . 30710 1 104 . 1 . 1 21 21 VAL HB H 1 2.178 0.001 . 1 . . . . A 21 VAL HB . 30710 1 105 . 1 . 1 21 21 VAL HG11 H 1 1.122 0.006 . 2 . . . . A 21 VAL HG11 . 30710 1 106 . 1 . 1 21 21 VAL HG12 H 1 1.122 0.006 . 2 . . . . A 21 VAL HG12 . 30710 1 107 . 1 . 1 21 21 VAL HG13 H 1 1.122 0.006 . 2 . . . . A 21 VAL HG13 . 30710 1 108 . 1 . 1 21 21 VAL HG21 H 1 0.979 0.002 . 2 . . . . A 21 VAL HG21 . 30710 1 109 . 1 . 1 21 21 VAL HG22 H 1 0.979 0.002 . 2 . . . . A 21 VAL HG22 . 30710 1 110 . 1 . 1 21 21 VAL HG23 H 1 0.979 0.002 . 2 . . . . A 21 VAL HG23 . 30710 1 111 . 1 . 1 22 22 GLY HA2 H 1 3.769 0.000 . 2 . . . . A 22 GLY HA2 . 30710 1 112 . 1 . 1 22 22 GLY HA3 H 1 3.870 0.000 . 2 . . . . A 22 GLY HA3 . 30710 1 113 . 1 . 1 23 23 GLY H H 1 8.419 0.002 . 1 . . . . A 23 GLY H . 30710 1 114 . 1 . 1 23 23 GLY HA2 H 1 3.840 0.000 . 2 . . . . A 23 GLY HA2 . 30710 1 115 . 1 . 1 23 23 GLY HA3 H 1 3.901 0.000 . 2 . . . . A 23 GLY HA3 . 30710 1 116 . 1 . 1 24 24 GLY H H 1 8.287 0.000 . 1 . . . . A 24 GLY H . 30710 1 117 . 1 . 1 24 24 GLY HA2 H 1 3.874 0.000 . 2 . . . . A 24 GLY HA2 . 30710 1 118 . 1 . 1 24 24 GLY HA3 H 1 3.874 0.000 . 2 . . . . A 24 GLY HA3 . 30710 1 119 . 1 . 1 25 25 ILE H H 1 8.273 0.001 . 1 . . . . A 25 ILE H . 30710 1 120 . 1 . 1 25 25 ILE HA H 1 3.833 0.001 . 1 . . . . A 25 ILE HA . 30710 1 121 . 1 . 1 25 25 ILE HB H 1 1.956 0.004 . 1 . . . . A 25 ILE HB . 30710 1 122 . 1 . 1 25 25 ILE HG12 H 1 1.123 0.000 . 2 . . . . A 25 ILE HG12 . 30710 1 123 . 1 . 1 25 25 ILE HG13 H 1 1.726 0.001 . 2 . . . . A 25 ILE HG13 . 30710 1 124 . 1 . 1 25 25 ILE HG21 H 1 0.851 0.000 . 1 . . . . A 25 ILE HG21 . 30710 1 125 . 1 . 1 25 25 ILE HG22 H 1 0.851 0.000 . 1 . . . . A 25 ILE HG22 . 30710 1 126 . 1 . 1 25 25 ILE HG23 H 1 0.851 0.000 . 1 . . . . A 25 ILE HG23 . 30710 1 127 . 1 . 1 25 25 ILE HD11 H 1 0.854 0.000 . 1 . . . . A 25 ILE HD11 . 30710 1 128 . 1 . 1 25 25 ILE HD12 H 1 0.854 0.000 . 1 . . . . A 25 ILE HD12 . 30710 1 129 . 1 . 1 25 25 ILE HD13 H 1 0.854 0.000 . 1 . . . . A 25 ILE HD13 . 30710 1 130 . 1 . 1 26 26 PHE H H 1 8.304 0.002 . 1 . . . . A 26 PHE H . 30710 1 131 . 1 . 1 26 26 PHE HA H 1 4.223 0.004 . 1 . . . . A 26 PHE HA . 30710 1 132 . 1 . 1 26 26 PHE HD1 H 1 7.202 0.029 . 3 . . . . A 26 PHE HD1 . 30710 1 133 . 1 . 1 26 26 PHE HD2 H 1 7.202 0.029 . 3 . . . . A 26 PHE HD2 . 30710 1 134 . 1 . 1 26 26 PHE HE1 H 1 7.223 0.002 . 3 . . . . A 26 PHE HE1 . 30710 1 135 . 1 . 1 26 26 PHE HE2 H 1 7.223 0.002 . 3 . . . . A 26 PHE HE2 . 30710 1 136 . 1 . 1 27 27 THR H H 1 8.183 0.001 . 1 . . . . A 27 THR H . 30710 1 137 . 1 . 1 27 27 THR HA H 1 3.728 0.001 . 1 . . . . A 27 THR HA . 30710 1 138 . 1 . 1 27 27 THR HG21 H 1 1.189 0.001 . 1 . . . . A 27 THR HG21 . 30710 1 139 . 1 . 1 27 27 THR HG22 H 1 1.189 0.001 . 1 . . . . A 27 THR HG22 . 30710 1 140 . 1 . 1 27 27 THR HG23 H 1 1.189 0.001 . 1 . . . . A 27 THR HG23 . 30710 1 141 . 1 . 1 28 28 GLY H H 1 8.180 0.001 . 1 . . . . A 28 GLY H . 30710 1 142 . 1 . 1 28 28 GLY HA2 H 1 3.839 0.000 . 2 . . . . A 28 GLY HA2 . 30710 1 143 . 1 . 1 28 28 GLY HA3 H 1 3.839 0.000 . 2 . . . . A 28 GLY HA3 . 30710 1 144 . 1 . 1 29 29 VAL H H 1 8.309 0.001 . 1 . . . . A 29 VAL H . 30710 1 145 . 1 . 1 29 29 VAL HA H 1 3.616 0.002 . 1 . . . . A 29 VAL HA . 30710 1 146 . 1 . 1 29 29 VAL HB H 1 2.301 0.006 . 1 . . . . A 29 VAL HB . 30710 1 147 . 1 . 1 29 29 VAL HG11 H 1 1.092 0.007 . 2 . . . . A 29 VAL HG11 . 30710 1 148 . 1 . 1 29 29 VAL HG12 H 1 1.092 0.007 . 2 . . . . A 29 VAL HG12 . 30710 1 149 . 1 . 1 29 29 VAL HG13 H 1 1.092 0.007 . 2 . . . . A 29 VAL HG13 . 30710 1 150 . 1 . 1 29 29 VAL HG21 H 1 0.912 0.001 . 2 . . . . A 29 VAL HG21 . 30710 1 151 . 1 . 1 29 29 VAL HG22 H 1 0.912 0.001 . 2 . . . . A 29 VAL HG22 . 30710 1 152 . 1 . 1 29 29 VAL HG23 H 1 0.912 0.001 . 2 . . . . A 29 VAL HG23 . 30710 1 153 . 1 . 1 30 30 DBU H H 1 9.345 0.001 . 1 . . . . A 30 DBU H . 30710 1 154 . 1 . 1 30 30 DBU HB H 1 6.135 0.000 . 1 . . . . A 30 DBU HB . 30710 1 155 . 1 . 1 30 30 DBU HG1 H 1 1.363 0.002 . 1 . . . . A 30 DBU HG1 . 30710 1 156 . 1 . 1 30 30 DBU HG2 H 1 1.363 0.002 . 1 . . . . A 30 DBU HG2 . 30710 1 157 . 1 . 1 30 30 DBU HG3 H 1 1.363 0.002 . 1 . . . . A 30 DBU HG3 . 30710 1 158 . 1 . 1 31 31 VAL H H 1 8.138 0.001 . 1 . . . . A 31 VAL H . 30710 1 159 . 1 . 1 31 31 VAL HA H 1 3.776 0.002 . 1 . . . . A 31 VAL HA . 30710 1 160 . 1 . 1 31 31 VAL HB H 1 2.319 0.000 . 1 . . . . A 31 VAL HB . 30710 1 161 . 1 . 1 31 31 VAL HG11 H 1 1.103 0.002 . 2 . . . . A 31 VAL HG11 . 30710 1 162 . 1 . 1 31 31 VAL HG12 H 1 1.103 0.002 . 2 . . . . A 31 VAL HG12 . 30710 1 163 . 1 . 1 31 31 VAL HG13 H 1 1.103 0.002 . 2 . . . . A 31 VAL HG13 . 30710 1 164 . 1 . 1 31 31 VAL HG21 H 1 0.953 0.001 . 2 . . . . A 31 VAL HG21 . 30710 1 165 . 1 . 1 31 31 VAL HG22 H 1 0.953 0.001 . 2 . . . . A 31 VAL HG22 . 30710 1 166 . 1 . 1 31 31 VAL HG23 H 1 0.953 0.001 . 2 . . . . A 31 VAL HG23 . 30710 1 167 . 1 . 1 32 32 VAL H H 1 7.664 0.002 . 1 . . . . A 32 VAL H . 30710 1 168 . 1 . 1 32 32 VAL HA H 1 3.609 0.003 . 1 . . . . A 32 VAL HA . 30710 1 169 . 1 . 1 32 32 VAL HB H 1 2.305 0.001 . 1 . . . . A 32 VAL HB . 30710 1 170 . 1 . 1 32 32 VAL HG11 H 1 1.100 0.006 . 2 . . . . A 32 VAL HG11 . 30710 1 171 . 1 . 1 32 32 VAL HG12 H 1 1.100 0.006 . 2 . . . . A 32 VAL HG12 . 30710 1 172 . 1 . 1 32 32 VAL HG13 H 1 1.100 0.006 . 2 . . . . A 32 VAL HG13 . 30710 1 173 . 1 . 1 32 32 VAL HG21 H 1 0.959 0.002 . 2 . . . . A 32 VAL HG21 . 30710 1 174 . 1 . 1 32 32 VAL HG22 H 1 0.959 0.002 . 2 . . . . A 32 VAL HG22 . 30710 1 175 . 1 . 1 32 32 VAL HG23 H 1 0.959 0.002 . 2 . . . . A 32 VAL HG23 . 30710 1 176 . 1 . 1 33 33 VAL H H 1 8.436 0.001 . 1 . . . . A 33 VAL H . 30710 1 177 . 1 . 1 33 33 VAL HA H 1 3.497 0.001 . 1 . . . . A 33 VAL HA . 30710 1 178 . 1 . 1 33 33 VAL HB H 1 2.067 0.001 . 1 . . . . A 33 VAL HB . 30710 1 179 . 1 . 1 33 33 VAL HG11 H 1 0.935 0.004 . 2 . . . . A 33 VAL HG11 . 30710 1 180 . 1 . 1 33 33 VAL HG12 H 1 0.935 0.004 . 2 . . . . A 33 VAL HG12 . 30710 1 181 . 1 . 1 33 33 VAL HG13 H 1 0.935 0.004 . 2 . . . . A 33 VAL HG13 . 30710 1 182 . 1 . 1 33 33 VAL HG21 H 1 0.908 0.006 . 2 . . . . A 33 VAL HG21 . 30710 1 183 . 1 . 1 33 33 VAL HG22 H 1 0.908 0.006 . 2 . . . . A 33 VAL HG22 . 30710 1 184 . 1 . 1 33 33 VAL HG23 H 1 0.908 0.006 . 2 . . . . A 33 VAL HG23 . 30710 1 185 . 1 . 1 34 34 DAL H H 1 8.720 0.002 . 1 . . . . A 34 DAL H . 30710 1 186 . 1 . 1 34 34 DAL HA H 1 3.997 0.000 . 1 . . . . A 34 DAL HA . 30710 1 187 . 1 . 1 34 34 DAL HB1 H 1 2.600 0.003 . 2 . . . . A 34 DAL HB1 . 30710 1 188 . 1 . 1 34 34 DAL HB2 H 1 2.600 0.003 . 2 . . . . A 34 DAL HB2 . 30710 1 189 . 1 . 1 35 35 LEU H H 1 8.644 0.002 . 1 . . . . A 35 LEU H . 30710 1 190 . 1 . 1 35 35 LEU HA H 1 4.069 0.003 . 1 . . . . A 35 LEU HA . 30710 1 191 . 1 . 1 35 35 LEU HB2 H 1 1.476 0.004 . 2 . . . . A 35 LEU HB2 . 30710 1 192 . 1 . 1 35 35 LEU HB3 H 1 2.021 0.009 . 2 . . . . A 35 LEU HB3 . 30710 1 193 . 1 . 1 35 35 LEU HG H 1 1.989 0.010 . 1 . . . . A 35 LEU HG . 30710 1 194 . 1 . 1 35 35 LEU HD11 H 1 0.915 0.001 . 1 . . . . A 35 LEU HD11 . 30710 1 195 . 1 . 1 35 35 LEU HD12 H 1 0.915 0.001 . 1 . . . . A 35 LEU HD12 . 30710 1 196 . 1 . 1 35 35 LEU HD13 H 1 0.915 0.001 . 1 . . . . A 35 LEU HD13 . 30710 1 197 . 1 . 1 35 35 LEU HD21 H 1 0.893 0.001 . 1 . . . . A 35 LEU HD21 . 30710 1 198 . 1 . 1 35 35 LEU HD22 H 1 0.893 0.001 . 1 . . . . A 35 LEU HD22 . 30710 1 199 . 1 . 1 35 35 LEU HD23 H 1 0.893 0.001 . 1 . . . . A 35 LEU HD23 . 30710 1 200 . 1 . 1 36 36 LYS H H 1 7.566 0.004 . 1 . . . . A 36 LYS H . 30710 1 201 . 1 . 1 36 36 LYS HA H 1 4.294 0.004 . 1 . . . . A 36 LYS HA . 30710 1 202 . 1 . 1 36 36 LYS HB2 H 1 1.673 0.001 . 2 . . . . A 36 LYS HB2 . 30710 1 203 . 1 . 1 36 36 LYS HB3 H 1 1.673 0.001 . 2 . . . . A 36 LYS HB3 . 30710 1 204 . 1 . 1 36 36 LYS HG2 H 1 1.393 0.005 . 2 . . . . A 36 LYS HG2 . 30710 1 205 . 1 . 1 36 36 LYS HG3 H 1 1.393 0.005 . 2 . . . . A 36 LYS HG3 . 30710 1 206 . 1 . 1 36 36 LYS HD2 H 1 1.557 0.003 . 2 . . . . A 36 LYS HD2 . 30710 1 207 . 1 . 1 36 36 LYS HD3 H 1 1.557 0.003 . 2 . . . . A 36 LYS HD3 . 30710 1 208 . 1 . 1 36 36 LYS HE2 H 1 2.809 0.000 . 2 . . . . A 36 LYS HE2 . 30710 1 209 . 1 . 1 36 36 LYS HE3 H 1 2.854 0.001 . 2 . . . . A 36 LYS HE3 . 30710 1 210 . 1 . 1 37 37 HIS H H 1 8.362 0.004 . 1 . . . . A 37 HIS H . 30710 1 211 . 1 . 1 37 37 HIS HA H 1 4.999 0.001 . 1 . . . . A 37 HIS HA . 30710 1 212 . 1 . 1 37 37 HIS HB2 H 1 2.905 0.002 . 2 . . . . A 37 HIS HB2 . 30710 1 213 . 1 . 1 37 37 HIS HB3 H 1 3.410 0.005 . 2 . . . . A 37 HIS HB3 . 30710 1 214 . 1 . 1 37 37 HIS HD2 H 1 7.289 0.000 . 1 . . . . A 37 HIS HD2 . 30710 1 215 . 1 . 1 38 38 CYS H H 1 9.482 0.001 . 1 . . . . A 38 CYS H . 30710 1 216 . 1 . 1 38 38 CYS HA H 1 4.621 0.001 . 1 . . . . A 38 CYS HA . 30710 1 217 . 1 . 1 38 38 CYS HB2 H 1 2.745 0.004 . 2 . . . . A 38 CYS HB2 . 30710 1 218 . 1 . 1 38 38 CYS HB3 H 1 3.643 0.002 . 2 . . . . A 38 CYS HB3 . 30710 1 stop_ save_