###################################
# 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 34388
_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 1H-1H TOCSY' . . . 34388 1
2 '2D 1H-1H NOESY' . . . 34388 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 PHE HA H 1 4.223 0.003 . . . . . . A 1 PHE HA . 34388 1
2 . 1 . 1 1 1 PHE HB2 H 1 3.205 0.000 . . . . . . A 1 PHE HB2 . 34388 1
3 . 1 . 1 1 1 PHE HB3 H 1 3.205 0.000 . . . . . . A 1 PHE HB3 . 34388 1
4 . 1 . 1 2 2 LEU H H 1 7.939 0.003 . . . . . . A 2 LEU H . 34388 1
5 . 1 . 1 2 2 LEU HA H 1 4.653 0.003 . . . . . . A 2 LEU HA . 34388 1
6 . 1 . 1 2 2 LEU HB2 H 1 1.624 0.004 . . . . . . A 2 LEU HB2 . 34388 1
7 . 1 . 1 2 2 LEU HB3 H 1 1.624 0.004 . . . . . . A 2 LEU HB3 . 34388 1
8 . 1 . 1 2 2 LEU HG H 1 1.593 0.008 . . . . . . A 2 LEU HG . 34388 1
9 . 1 . 1 2 2 LEU HD11 H 1 0.965 0.005 . . . . . . A 2 LEU HD11 . 34388 1
10 . 1 . 1 2 2 LEU HD12 H 1 0.965 0.005 . . . . . . A 2 LEU HD12 . 34388 1
11 . 1 . 1 2 2 LEU HD13 H 1 0.965 0.005 . . . . . . A 2 LEU HD13 . 34388 1
12 . 1 . 1 2 2 LEU HD21 H 1 0.965 0.005 . . . . . . A 2 LEU HD21 . 34388 1
13 . 1 . 1 2 2 LEU HD22 H 1 0.965 0.005 . . . . . . A 2 LEU HD22 . 34388 1
14 . 1 . 1 2 2 LEU HD23 H 1 0.965 0.005 . . . . . . A 2 LEU HD23 . 34388 1
15 . 1 . 1 3 3 PRO HA H 1 4.415 0.008 . . . . . . A 3 PRO HA . 34388 1
16 . 1 . 1 3 3 PRO HB2 H 1 2.050 0.004 . . . . . . A 3 PRO HB2 . 34388 1
17 . 1 . 1 3 3 PRO HB3 H 1 2.359 0.003 . . . . . . A 3 PRO HB3 . 34388 1
18 . 1 . 1 3 3 PRO HG2 H 1 2.359 0.000 . . . . . . A 3 PRO HG2 . 34388 1
19 . 1 . 1 3 3 PRO HG3 H 1 2.359 0.000 . . . . . . A 3 PRO HG3 . 34388 1
20 . 1 . 1 3 3 PRO HD2 H 1 3.459 0.009 . . . . . . A 3 PRO HD2 . 34388 1
21 . 1 . 1 3 3 PRO HD3 H 1 3.767 0.006 . . . . . . A 3 PRO HD3 . 34388 1
22 . 1 . 1 4 4 ILE H H 1 7.539 0.003 . . . . . . A 4 ILE H . 34388 1
23 . 1 . 1 4 4 ILE HA H 1 4.021 0.003 . . . . . . A 4 ILE HA . 34388 1
24 . 1 . 1 4 4 ILE HB H 1 1.965 0.006 . . . . . . A 4 ILE HB . 34388 1
25 . 1 . 1 4 4 ILE HG12 H 1 1.302 0.003 . . . . . . A 4 ILE HG12 . 34388 1
26 . 1 . 1 4 4 ILE HG13 H 1 1.606 0.005 . . . . . . A 4 ILE HG13 . 34388 1
27 . 1 . 1 4 4 ILE HG21 H 1 0.985 0.004 . . . . . . A 4 ILE HG21 . 34388 1
28 . 1 . 1 4 4 ILE HG22 H 1 0.985 0.004 . . . . . . A 4 ILE HG22 . 34388 1
29 . 1 . 1 4 4 ILE HG23 H 1 0.985 0.004 . . . . . . A 4 ILE HG23 . 34388 1
30 . 1 . 1 4 4 ILE HD11 H 1 0.897 0.001 . . . . . . A 4 ILE HD11 . 34388 1
31 . 1 . 1 4 4 ILE HD12 H 1 0.897 0.001 . . . . . . A 4 ILE HD12 . 34388 1
32 . 1 . 1 4 4 ILE HD13 H 1 0.897 0.001 . . . . . . A 4 ILE HD13 . 34388 1
33 . 1 . 1 5 5 LEU H H 1 7.547 0.002 . . . . . . A 5 LEU H . 34388 1
34 . 1 . 1 5 5 LEU HA H 1 4.167 0.006 . . . . . . A 5 LEU HA . 34388 1
35 . 1 . 1 5 5 LEU HB3 H 1 1.738 0.007 . . . . . . A 5 LEU HB3 . 34388 1
36 . 1 . 1 5 5 LEU HG H 1 1.725 0.001 . . . . . . A 5 LEU HG . 34388 1
37 . 1 . 1 5 5 LEU HD11 H 1 1.002 0.003 . . . . . . A 5 LEU HD11 . 34388 1
38 . 1 . 1 5 5 LEU HD12 H 1 1.002 0.003 . . . . . . A 5 LEU HD12 . 34388 1
39 . 1 . 1 5 5 LEU HD13 H 1 1.002 0.003 . . . . . . A 5 LEU HD13 . 34388 1
40 . 1 . 1 5 5 LEU HD21 H 1 0.938 0.011 . . . . . . A 5 LEU HD21 . 34388 1
41 . 1 . 1 5 5 LEU HD22 H 1 0.938 0.011 . . . . . . A 5 LEU HD22 . 34388 1
42 . 1 . 1 5 5 LEU HD23 H 1 0.938 0.011 . . . . . . A 5 LEU HD23 . 34388 1
43 . 1 . 1 6 6 ALA H H 1 7.914 0.002 . . . . . . A 6 ALA H . 34388 1
44 . 1 . 1 6 6 ALA HA H 1 4.113 0.005 . . . . . . A 6 ALA HA . 34388 1
45 . 1 . 1 6 6 ALA HB1 H 1 1.518 0.005 . . . . . . A 6 ALA HB1 . 34388 1
46 . 1 . 1 6 6 ALA HB2 H 1 1.518 0.005 . . . . . . A 6 ALA HB2 . 34388 1
47 . 1 . 1 6 6 ALA HB3 H 1 1.518 0.005 . . . . . . A 6 ALA HB3 . 34388 1
48 . 1 . 1 7 7 SER H H 1 7.809 0.003 . . . . . . A 7 SER H . 34388 1
49 . 1 . 1 7 7 SER HA H 1 4.273 0.006 . . . . . . A 7 SER HA . 34388 1
50 . 1 . 1 7 7 SER HB2 H 1 3.992 0.004 . . . . . . A 7 SER HB2 . 34388 1
51 . 1 . 1 7 7 SER HB3 H 1 4.117 0.007 . . . . . . A 7 SER HB3 . 34388 1
52 . 1 . 1 8 8 LEU H H 1 8.084 0.003 . . . . . . A 8 LEU H . 34388 1
53 . 1 . 1 8 8 LEU HA H 1 4.244 0.007 . . . . . . A 8 LEU HA . 34388 1
54 . 1 . 1 8 8 LEU HB2 H 1 1.933 0.003 . . . . . . A 8 LEU HB2 . 34388 1
55 . 1 . 1 8 8 LEU HB3 H 1 2.054 0.002 . . . . . . A 8 LEU HB3 . 34388 1
56 . 1 . 1 8 8 LEU HG H 1 1.617 0.002 . . . . . . A 8 LEU HG . 34388 1
57 . 1 . 1 8 8 LEU HD11 H 1 0.958 0.005 . . . . . . A 8 LEU HD11 . 34388 1
58 . 1 . 1 8 8 LEU HD12 H 1 0.958 0.005 . . . . . . A 8 LEU HD12 . 34388 1
59 . 1 . 1 8 8 LEU HD13 H 1 0.958 0.005 . . . . . . A 8 LEU HD13 . 34388 1
60 . 1 . 1 9 9 ALA H H 1 8.526 0.003 . . . . . . A 9 ALA H . 34388 1
61 . 1 . 1 9 9 ALA HA H 1 4.015 0.002 . . . . . . A 9 ALA HA . 34388 1
62 . 1 . 1 9 9 ALA HB1 H 1 1.432 0.003 . . . . . . A 9 ALA HB1 . 34388 1
63 . 1 . 1 9 9 ALA HB2 H 1 1.432 0.003 . . . . . . A 9 ALA HB2 . 34388 1
64 . 1 . 1 9 9 ALA HB3 H 1 1.432 0.003 . . . . . . A 9 ALA HB3 . 34388 1
65 . 1 . 1 10 10 ALA H H 1 7.877 0.002 . . . . . . A 10 ALA H . 34388 1
66 . 1 . 1 10 10 ALA HA H 1 4.141 0.006 . . . . . . A 10 ALA HA . 34388 1
67 . 1 . 1 10 10 ALA HB1 H 1 1.543 0.005 . . . . . . A 10 ALA HB1 . 34388 1
68 . 1 . 1 10 10 ALA HB2 H 1 1.543 0.005 . . . . . . A 10 ALA HB2 . 34388 1
69 . 1 . 1 10 10 ALA HB3 H 1 1.543 0.005 . . . . . . A 10 ALA HB3 . 34388 1
70 . 1 . 1 11 11 LYS H H 1 7.617 0.002 . . . . . . A 11 LYS H . 34388 1
71 . 1 . 1 11 11 LYS HA H 1 4.149 0.004 . . . . . . A 11 LYS HA . 34388 1
72 . 1 . 1 11 11 LYS HB2 H 1 1.530 0.004 . . . . . . A 11 LYS HB2 . 34388 1
73 . 1 . 1 11 11 LYS HB3 H 1 1.719 0.004 . . . . . . A 11 LYS HB3 . 34388 1
74 . 1 . 1 11 11 LYS HG2 H 1 0.996 0.001 . . . . . . A 11 LYS HG2 . 34388 1
75 . 1 . 1 11 11 LYS HG3 H 1 1.186 0.010 . . . . . . A 11 LYS HG3 . 34388 1
76 . 1 . 1 12 12 PHE H H 1 8.426 0.003 . . . . . . A 12 PHE H . 34388 1
77 . 1 . 1 12 12 PHE HA H 1 4.745 0.001 . . . . . . A 12 PHE HA . 34388 1
78 . 1 . 1 12 12 PHE HB2 H 1 3.005 0.001 . . . . . . A 12 PHE HB2 . 34388 1
79 . 1 . 1 12 12 PHE HB3 H 1 3.271 0.002 . . . . . . A 12 PHE HB3 . 34388 1
80 . 1 . 1 12 12 PHE HD1 H 1 7.339 0.003 . . . . . . A 12 PHE HD1 . 34388 1
81 . 1 . 1 12 12 PHE HD2 H 1 7.339 0.003 . . . . . . A 12 PHE HD2 . 34388 1
82 . 1 . 1 13 13 GLY H H 1 8.325 0.004 . . . . . . A 13 GLY H . 34388 1
83 . 1 . 1 13 13 GLY HA2 H 1 4.002 0.008 . . . . . . A 13 GLY HA2 . 34388 1
84 . 1 . 1 13 13 GLY HA3 H 1 4.364 0.002 . . . . . . A 13 GLY HA3 . 34388 1
85 . 1 . 1 14 14 PRO HA H 1 4.390 0.004 . . . . . . A 14 PRO HA . 34388 1
86 . 1 . 1 14 14 PRO HB2 H 1 2.136 0.002 . . . . . . A 14 PRO HB2 . 34388 1
87 . 1 . 1 14 14 PRO HB3 H 1 2.430 0.003 . . . . . . A 14 PRO HB3 . 34388 1
88 . 1 . 1 14 14 PRO HG2 H 1 2.040 0.013 . . . . . . A 14 PRO HG2 . 34388 1
89 . 1 . 1 14 14 PRO HG3 H 1 2.040 0.013 . . . . . . A 14 PRO HG3 . 34388 1
90 . 1 . 1 14 14 PRO HD2 H 1 3.743 0.003 . . . . . . A 14 PRO HD2 . 34388 1
91 . 1 . 1 14 14 PRO HD3 H 1 3.846 0.004 . . . . . . A 14 PRO HD3 . 34388 1
92 . 1 . 1 15 15 LYS H H 1 7.816 0.002 . . . . . . A 15 LYS H . 34388 1
93 . 1 . 1 15 15 LYS HA H 1 4.124 0.005 . . . . . . A 15 LYS HA . 34388 1
94 . 1 . 1 15 15 LYS HB2 H 1 2.005 0.004 . . . . . . A 15 LYS HB2 . 34388 1
95 . 1 . 1 15 15 LYS HB3 H 1 1.962 0.004 . . . . . . A 15 LYS HB3 . 34388 1
96 . 1 . 1 15 15 LYS HG2 H 1 1.508 0.001 . . . . . . A 15 LYS HG2 . 34388 1
97 . 1 . 1 15 15 LYS HG3 H 1 1.602 0.003 . . . . . . A 15 LYS HG3 . 34388 1
98 . 1 . 1 15 15 LYS HD2 H 1 1.785 0.001 . . . . . . A 15 LYS HD2 . 34388 1
99 . 1 . 1 15 15 LYS HD3 H 1 1.785 0.001 . . . . . . A 15 LYS HD3 . 34388 1
100 . 1 . 1 15 15 LYS HE2 H 1 3.025 0.002 . . . . . . A 15 LYS HE2 . 34388 1
101 . 1 . 1 15 15 LYS HE3 H 1 3.025 0.002 . . . . . . A 15 LYS HE3 . 34388 1
102 . 1 . 1 16 16 LEU H H 1 7.910 0.013 . . . . . . A 16 LEU H . 34388 1
103 . 1 . 1 16 16 LEU HA H 1 4.101 0.003 . . . . . . A 16 LEU HA . 34388 1
104 . 1 . 1 16 16 LEU HB2 H 1 1.655 0.027 . . . . . . A 16 LEU HB2 . 34388 1
105 . 1 . 1 16 16 LEU HB3 H 1 1.722 0.004 . . . . . . A 16 LEU HB3 . 34388 1
106 . 1 . 1 16 16 LEU HG H 1 1.512 0.003 . . . . . . A 16 LEU HG . 34388 1
107 . 1 . 1 17 17 PHE H H 1 7.866 0.002 . . . . . . A 17 PHE H . 34388 1
108 . 1 . 1 17 17 PHE HA H 1 4.219 0.004 . . . . . . A 17 PHE HA . 34388 1
109 . 1 . 1 17 17 PHE HB2 H 1 3.180 0.004 . . . . . . A 17 PHE HB2 . 34388 1
110 . 1 . 1 17 17 PHE HB3 H 1 3.180 0.004 . . . . . . A 17 PHE HB3 . 34388 1
111 . 1 . 1 17 17 PHE HD1 H 1 7.199 0.002 . . . . . . A 17 PHE HD1 . 34388 1
112 . 1 . 1 17 17 PHE HD2 H 1 7.199 0.002 . . . . . . A 17 PHE HD2 . 34388 1
113 . 1 . 1 17 17 PHE HE1 H 1 7.304 0.000 . . . . . . A 17 PHE HE1 . 34388 1
114 . 1 . 1 17 17 PHE HE2 H 1 7.304 0.000 . . . . . . A 17 PHE HE2 . 34388 1
115 . 1 . 1 18 18 ABA H H 1 8.016 0.003 . . . . . . A 18 ABA H . 34388 1
116 . 1 . 1 18 18 ABA HA H 1 3.690 0.004 . . . . . . A 18 ABA HA . 34388 1
117 . 1 . 1 18 18 ABA HB2 H 1 2.837 0.003 . . . . . . A 18 ABA HB2 . 34388 1
118 . 1 . 1 18 18 ABA HB3 H 1 2.686 0.004 . . . . . . A 18 ABA HB3 . 34388 1
119 . 1 . 1 18 18 ABA HG3 H 1 5.354 0.002 . . . . . . A 18 ABA HG3 . 34388 1
120 . 1 . 1 19 19 LEU H H 1 7.632 0.002 . . . . . . A 19 LEU H . 34388 1
121 . 1 . 1 19 19 LEU HA H 1 4.292 0.003 . . . . . . A 19 LEU HA . 34388 1
122 . 1 . 1 19 19 LEU HB2 H 1 1.574 0.000 . . . . . . A 19 LEU HB2 . 34388 1
123 . 1 . 1 19 19 LEU HB3 H 1 1.967 0.003 . . . . . . A 19 LEU HB3 . 34388 1
124 . 1 . 1 19 19 LEU HG H 1 1.837 0.002 . . . . . . A 19 LEU HG . 34388 1
125 . 1 . 1 19 19 LEU HD11 H 1 0.975 0.004 . . . . . . A 19 LEU HD11 . 34388 1
126 . 1 . 1 19 19 LEU HD12 H 1 0.975 0.004 . . . . . . A 19 LEU HD12 . 34388 1
127 . 1 . 1 19 19 LEU HD13 H 1 0.975 0.004 . . . . . . A 19 LEU HD13 . 34388 1
128 . 1 . 1 19 19 LEU HD21 H 1 0.835 0.003 . . . . . . A 19 LEU HD21 . 34388 1
129 . 1 . 1 19 19 LEU HD22 H 1 0.835 0.003 . . . . . . A 19 LEU HD22 . 34388 1
130 . 1 . 1 19 19 LEU HD23 H 1 0.835 0.003 . . . . . . A 19 LEU HD23 . 34388 1
131 . 1 . 1 20 20 VAL H H 1 8.708 0.004 . . . . . . A 20 VAL H . 34388 1
132 . 1 . 1 20 20 VAL HA H 1 3.809 0.002 . . . . . . A 20 VAL HA . 34388 1
133 . 1 . 1 20 20 VAL HB H 1 2.126 0.005 . . . . . . A 20 VAL HB . 34388 1
134 . 1 . 1 20 20 VAL HG11 H 1 1.058 0.002 . . . . . . A 20 VAL HG11 . 34388 1
135 . 1 . 1 20 20 VAL HG12 H 1 1.058 0.002 . . . . . . A 20 VAL HG12 . 34388 1
136 . 1 . 1 20 20 VAL HG13 H 1 1.058 0.002 . . . . . . A 20 VAL HG13 . 34388 1
137 . 1 . 1 20 20 VAL HG21 H 1 0.979 0.003 . . . . . . A 20 VAL HG21 . 34388 1
138 . 1 . 1 20 20 VAL HG22 H 1 0.979 0.003 . . . . . . A 20 VAL HG22 . 34388 1
139 . 1 . 1 20 20 VAL HG23 H 1 0.979 0.003 . . . . . . A 20 VAL HG23 . 34388 1
140 . 1 . 1 21 21 THR H H 1 7.625 0.003 . . . . . . A 21 THR H . 34388 1
141 . 1 . 1 21 21 THR HA H 1 4.161 0.008 . . . . . . A 21 THR HA . 34388 1
142 . 1 . 1 21 21 THR HB H 1 4.045 0.008 . . . . . . A 21 THR HB . 34388 1
143 . 1 . 1 22 22 LYS H H 1 7.736 0.002 . . . . . . A 22 LYS H . 34388 1
144 . 1 . 1 22 22 LYS HA H 1 4.043 0.004 . . . . . . A 22 LYS HA . 34388 1
145 . 1 . 1 22 22 LYS HB2 H 1 2.079 0.002 . . . . . . A 22 LYS HB2 . 34388 1
146 . 1 . 1 22 22 LYS HB3 H 1 2.194 0.007 . . . . . . A 22 LYS HB3 . 34388 1
147 . 1 . 1 22 22 LYS HG2 H 1 1.449 0.001 . . . . . . A 22 LYS HG2 . 34388 1
148 . 1 . 1 22 22 LYS HG3 H 1 1.449 0.001 . . . . . . A 22 LYS HG3 . 34388 1
149 . 1 . 1 22 22 LYS HD2 H 1 1.722 0.000 . . . . . . A 22 LYS HD2 . 34388 1
150 . 1 . 1 22 22 LYS HD3 H 1 1.804 0.003 . . . . . . A 22 LYS HD3 . 34388 1
151 . 1 . 1 22 22 LYS HE2 H 1 3.077 0.001 . . . . . . A 22 LYS HE2 . 34388 1
152 . 1 . 1 22 22 LYS HE3 H 1 3.077 0.001 . . . . . . A 22 LYS HE3 . 34388 1
153 . 1 . 1 23 23 LYS H H 1 8.122 0.002 . . . . . . A 23 LYS H . 34388 1
154 . 1 . 1 23 23 LYS HA H 1 4.296 0.006 . . . . . . A 23 LYS HA . 34388 1
155 . 1 . 1 23 23 LYS HB2 H 1 1.938 0.000 . . . . . . A 23 LYS HB2 . 34388 1
156 . 1 . 1 23 23 LYS HB3 H 1 1.952 0.005 . . . . . . A 23 LYS HB3 . 34388 1
157 . 1 . 1 23 23 LYS HG2 H 1 1.516 0.009 . . . . . . A 23 LYS HG2 . 34388 1
158 . 1 . 1 23 23 LYS HG3 H 1 1.516 0.009 . . . . . . A 23 LYS HG3 . 34388 1
159 . 1 . 1 23 23 LYS HD3 H 1 1.730 0.007 . . . . . . A 23 LYS HD3 . 34388 1
160 . 1 . 1 23 23 LYS HE2 H 1 3.019 0.005 . . . . . . A 23 LYS HE2 . 34388 1
161 . 1 . 1 23 23 LYS HE3 H 1 3.089 0.006 . . . . . . A 23 LYS HE3 . 34388 1
162 . 1 . 1 24 24 ABA H H 1 7.402 0.003 . . . . . . A 24 ABA H . 34388 1
163 . 1 . 1 24 24 ABA HA H 1 4.493 0.002 . . . . . . A 24 ABA HA . 34388 1
164 . 1 . 1 24 24 ABA HB2 H 1 2.507 0.002 . . . . . . A 24 ABA HB . 34388 1
165 . 1 . 1 24 24 ABA HB3 H 1 2.507 0.002 . . . . . . A 24 ABA HB . 34388 1
166 . 1 . 1 24 24 ABA HG3 H 1 5.353 0.002 . . . . . . A 24 ABA HG3 . 34388 1
stop_
save_