###################################
# 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 27379
_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 .
_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' . . . 27379 1
2 '2D 1H-13C HSQC' . . . 27379 1
3 '2D 1H-1H TOCSY' . . . 27379 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.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 PCA HA H 1 4.213 0.001 . 1 . . . . . 1 GLU HA . 27379 1
2 . 1 1 1 1 PCA HB2 H 1 2.384 0.000 . 2 . . . . . 1 GLU HB2 . 27379 1
3 . 1 1 1 1 PCA HB3 H 1 1.878 0.000 . 2 . . . . . 1 GLU HB3 . 27379 1
4 . 1 1 1 1 PCA HG2 H 1 2.263 0.000 . 2 . . . . . 1 GLU HG2 . 27379 1
5 . 1 1 1 1 PCA HG3 H 1 2.269 0.000 . 2 . . . . . 1 GLU HG3 . 27379 1
6 . 1 1 1 1 PCA CA C 13 59.417 0.000 . 1 . . . . . 1 GLU CA . 27379 1
7 . 1 1 1 1 PCA CB C 13 28.103 0.018 . 1 . . . . . 1 GLU CB . 27379 1
8 . 1 1 1 1 PCA CG C 13 31.902 0.000 . 1 . . . . . 1 GLU CG . 27379 1
9 . 1 1 2 2 ARG H H 1 8.310 0.002 . 1 . . . . . 2 ARG H . 27379 1
10 . 1 1 2 2 ARG HA H 1 4.172 0.004 . 1 . . . . . 2 ARG HA . 27379 1
11 . 1 1 2 2 ARG HB2 H 1 1.618 0.001 . 2 . . . . . 2 ARG HB2 . 27379 1
12 . 1 1 2 2 ARG HB3 H 1 1.683 0.001 . 2 . . . . . 2 ARG HB3 . 27379 1
13 . 1 1 2 2 ARG HG2 H 1 1.511 0.004 . 2 . . . . . 2 ARG HG2 . 27379 1
14 . 1 1 2 2 ARG HG3 H 1 1.516 0.001 . 2 . . . . . 2 ARG HG3 . 27379 1
15 . 1 1 2 2 ARG HD2 H 1 3.056 0.001 . 1 . . . . . 2 ARG HD2 . 27379 1
16 . 1 1 3 3 LEU H H 1 8.332 0.001 . 1 . . . . . 3 LEU H . 27379 1
17 . 1 1 3 3 LEU HA H 1 4.252 0.006 . 1 . . . . . 3 LEU HA . 27379 1
18 . 1 1 3 3 LEU HB2 H 1 1.488 0.000 . 1 . . . . . 3 LEU HB2 . 27379 1
19 . 1 1 3 3 LEU HG H 1 1.488 0.000 . 1 . . . . . 3 LEU HG . 27379 1
20 . 1 1 3 3 LEU HD11 H 1 0.702 0.009 . 2 . . . . . 3 LEU HD11 . 27379 1
21 . 1 1 3 3 LEU HD12 H 1 0.702 0.009 . 2 . . . . . 3 LEU HD12 . 27379 1
22 . 1 1 3 3 LEU HD13 H 1 0.702 0.009 . 2 . . . . . 3 LEU HD13 . 27379 1
23 . 1 1 3 3 LEU HD21 H 1 0.760 0.000 . 2 . . . . . 3 LEU HD21 . 27379 1
24 . 1 1 3 3 LEU HD22 H 1 0.760 0.000 . 2 . . . . . 3 LEU HD22 . 27379 1
25 . 1 1 3 3 LEU HD23 H 1 0.760 0.000 . 2 . . . . . 3 LEU HD23 . 27379 1
26 . 1 1 3 3 LEU CA C 13 56.384 0.000 . 1 . . . . . 3 LEU CA . 27379 1
27 . 1 1 3 3 LEU CG C 13 24.692 0.000 . 1 . . . . . 3 LEU CG . 27379 1
28 . 1 1 3 3 LEU CD1 C 13 23.209 0.000 . 2 . . . . . 3 LEU CD1 . 27379 1
29 . 1 1 3 3 LEU CD2 C 13 24.801 0.000 . 2 . . . . . 3 LEU CD2 . 27379 1
30 . 1 1 4 4 CYS H H 1 8.612 0.004 . 1 . . . . . 4 CYS H . 27379 1
31 . 1 1 4 4 CYS HA H 1 4.152 0.002 . 1 . . . . . 4 CYS HA . 27379 1
32 . 1 1 4 4 CYS HB2 H 1 3.561 0.000 . 2 . . . . . 4 CYS HB2 . 27379 1
33 . 1 1 4 4 CYS HB3 H 1 3.264 0.000 . 2 . . . . . 4 CYS HB3 . 27379 1
34 . 1 1 5 5 CYS H H 1 7.935 0.027 . 1 . . . . . 5 CYS H . 27379 1
35 . 1 1 5 5 CYS HA H 1 4.883 0.000 . 1 . . . . . 5 CYS HA . 27379 1
36 . 1 1 5 5 CYS HB2 H 1 2.998 0.000 . 2 . . . . . 5 CYS HB2 . 27379 1
37 . 1 1 5 5 CYS HB3 H 1 2.586 0.010 . 2 . . . . . 5 CYS HB3 . 27379 1
38 . 1 1 6 6 GLY H H 1 8.498 0.002 . 1 . . . . . 6 GLY H . 27379 1
39 . 1 1 6 6 GLY HA2 H 1 3.754 0.009 . 2 . . . . . 6 GLY HA2 . 27379 1
40 . 1 1 6 6 GLY HA3 H 1 3.579 0.000 . 2 . . . . . 6 GLY HA3 . 27379 1
41 . 1 1 6 6 GLY CA C 13 44.938 0.000 . 1 . . . . . 6 GLY CA . 27379 1
42 . 1 1 7 7 PHE H H 1 8.092 0.001 . 1 . . . . . 7 PHE H . 27379 1
43 . 1 1 7 7 PHE HA H 1 4.735 0.014 . 1 . . . . . 7 PHE HA . 27379 1
44 . 1 1 7 7 PHE HB2 H 1 2.776 0.007 . 2 . . . . . 7 PHE HB2 . 27379 1
45 . 1 1 7 7 PHE HB3 H 1 2.994 0.005 . 2 . . . . . 7 PHE HB3 . 27379 1
46 . 1 1 7 7 PHE HD1 H 1 7.127 0.002 . 1 . . . . . 7 PHE HD1 . 27379 1
47 . 1 1 7 7 PHE HD2 H 1 7.127 0.002 . 1 . . . . . 7 PHE HD2 . 27379 1
48 . 1 1 7 7 PHE HZ H 1 7.199 0.000 . 1 . . . . . 7 PHE HZ . 27379 1
49 . 1 1 7 7 PHE CB C 13 38.752 0.061 . 1 . . . . . 7 PHE CB . 27379 1
50 . 1 1 8 8 HYP HA H 1 4.445 0.004 . 1 . . . . . 8 HYP HA . 27379 1
51 . 1 1 8 8 HYP HB2 H 1 2.200 0.007 . 2 . . . . . 8 HYP HB2 . 27379 1
52 . 1 1 8 8 HYP HB3 H 1 1.923 0.003 . 2 . . . . . 8 HYP HB3 . 27379 1
53 . 1 1 8 8 HYP HG H 1 4.456 0.003 . 1 . . . . . 8 HYP HG . 27379 1
54 . 1 1 8 8 HYP HD22 H 1 3.575 0.007 . 2 . . . . . 8 HYP HD22 . 27379 1
55 . 1 1 8 8 HYP HD23 H 1 3.756 0.004 . 2 . . . . . 8 HYP HD23 . 27379 1
56 . 1 1 8 8 HYP CA C 13 61.617 0.000 . 1 . . . . . 8 HYP CA . 27379 1
57 . 1 1 8 8 HYP CG C 13 72.624 0.000 . 1 . . . . . 8 HYP CG . 27379 1
58 . 1 1 8 8 HYP CD C 13 58.176 0.020 . 1 . . . . . 8 HYP CD2 . 27379 1
59 . 1 1 9 9 LYS H H 1 8.528 0.001 . 1 . . . . . 9 LYS H . 27379 1
60 . 1 1 9 9 LYS HA H 1 4.157 0.004 . 1 . . . . . 9 LYS HA . 27379 1
61 . 1 1 9 9 LYS HB2 H 1 1.667 0.004 . 2 . . . . . 9 LYS HB2 . 27379 1
62 . 1 1 9 9 LYS HB3 H 1 1.741 0.003 . 2 . . . . . 9 LYS HB3 . 27379 1
63 . 1 1 9 9 LYS HG2 H 1 1.356 0.015 . 2 . . . . . 9 LYS HG2 . 27379 1
64 . 1 1 9 9 LYS HG3 H 1 1.375 0.020 . 2 . . . . . 9 LYS HG3 . 27379 1
65 . 1 1 9 9 LYS HD2 H 1 1.578 0.008 . 1 . . . . . 9 LYS HD2 . 27379 1
66 . 1 1 9 9 LYS HD3 H 1 1.578 0.008 . 1 . . . . . 9 LYS HD3 . 27379 1
67 . 1 1 9 9 LYS HE2 H 1 2.884 0.004 . 1 . . . . . 9 LYS HE2 . 27379 1
68 . 1 1 9 9 LYS HE3 H 1 2.884 0.004 . 1 . . . . . 9 LYS HE3 . 27379 1
69 . 1 1 9 9 LYS CA C 13 56.974 0.000 . 1 . . . . . 9 LYS CA . 27379 1
70 . 1 1 9 9 LYS CB C 13 32.797 0.009 . 1 . . . . . 9 LYS CB . 27379 1
71 . 1 1 9 9 LYS CE C 13 42.112 0.000 . 1 . . . . . 9 LYS CE . 27379 1
72 . 1 1 10 10 SER H H 1 8.143 0.017 . 1 . . . . . 10 SER H . 27379 1
73 . 1 1 10 10 SER HA H 1 4.268 0.002 . 1 . . . . . 10 SER HA . 27379 1
74 . 1 1 10 10 SER HB2 H 1 3.739 0.005 . 2 . . . . . 10 SER HB2 . 27379 1
75 . 1 1 10 10 SER HB3 H 1 3.723 0.014 . 2 . . . . . 10 SER HB3 . 27379 1
76 . 1 1 10 10 SER CA C 13 58.181 0.000 . 1 . . . . . 10 SER CA . 27379 1
77 . 1 1 10 10 SER CB C 13 63.674 0.016 . 1 . . . . . 10 SER CB . 27379 1
78 . 1 1 11 11 CYS H H 1 8.317 0.003 . 1 . . . . . 11 CYS H . 27379 1
79 . 1 1 11 11 CYS HA H 1 4.592 0.005 . 1 . . . . . 11 CYS HA . 27379 1
80 . 1 1 11 11 CYS HB2 H 1 3.069 0.002 . 2 . . . . . 11 CYS HB2 . 27379 1
81 . 1 1 11 11 CYS HB3 H 1 2.986 0.003 . 2 . . . . . 11 CYS HB3 . 27379 1
82 . 1 1 11 11 CYS CB C 13 41.682 0.006 . 1 . . . . . 11 CYS CB . 27379 1
83 . 1 1 12 12 ARG H H 1 8.626 0.003 . 1 . . . . . 12 ARG H . 27379 1
84 . 1 1 12 12 ARG HA H 1 4.311 0.004 . 1 . . . . . 12 ARG HA . 27379 1
85 . 1 1 12 12 ARG HB2 H 1 1.849 0.004 . 2 . . . . . 12 ARG HB2 . 27379 1
86 . 1 1 12 12 ARG HB3 H 1 1.596 0.004 . 2 . . . . . 12 ARG HB3 . 27379 1
87 . 1 1 12 12 ARG HG2 H 1 1.487 0.008 . 2 . . . . . 12 ARG HG2 . 27379 1
88 . 1 1 12 12 ARG HG3 H 1 1.492 0.007 . 2 . . . . . 12 ARG HG3 . 27379 1
89 . 1 1 12 12 ARG HD2 H 1 3.066 0.003 . 2 . . . . . 12 ARG HD2 . 27379 1
90 . 1 1 12 12 ARG HD3 H 1 3.074 0.000 . 2 . . . . . 12 ARG HD3 . 27379 1
91 . 1 1 12 12 ARG HE H 1 7.047 0.000 . 1 . . . . . 12 ARG HE . 27379 1
92 . 1 1 12 12 ARG CA C 13 56.223 0.000 . 1 . . . . . 12 ARG CA . 27379 1
93 . 1 1 13 13 SER H H 1 7.784 0.003 . 1 . . . . . 13 SER H . 27379 1
94 . 1 1 13 13 SER HA H 1 4.366 0.002 . 1 . . . . . 13 SER HA . 27379 1
95 . 1 1 13 13 SER HB2 H 1 3.892 0.005 . 2 . . . . . 13 SER HB2 . 27379 1
96 . 1 1 13 13 SER HB3 H 1 3.782 0.003 . 2 . . . . . 13 SER HB3 . 27379 1
97 . 1 1 13 13 SER CA C 13 57.670 0.000 . 1 . . . . . 13 SER CA . 27379 1
98 . 1 1 13 13 SER CB C 13 64.098 0.025 . 1 . . . . . 13 SER CB . 27379 1
99 . 1 1 14 14 ARG H H 1 8.299 0.002 . 1 . . . . . 14 ARG H . 27379 1
100 . 1 1 14 14 ARG HA H 1 4.021 0.002 . 1 . . . . . 14 ARG HA . 27379 1
101 . 1 1 14 14 ARG HB2 H 1 1.754 0.004 . 2 . . . . . 14 ARG HB2 . 27379 1
102 . 1 1 14 14 ARG HB3 H 1 1.752 0.000 . 2 . . . . . 14 ARG HB3 . 27379 1
103 . 1 1 14 14 ARG HG2 H 1 1.523 0.005 . 2 . . . . . 14 ARG HG2 . 27379 1
104 . 1 1 14 14 ARG HG3 H 1 1.519 0.000 . 2 . . . . . 14 ARG HG3 . 27379 1
105 . 1 1 14 14 ARG HD2 H 1 3.075 0.002 . 1 . . . . . 14 ARG HD2 . 27379 1
106 . 1 1 14 14 ARG HE H 1 7.072 0.000 . 1 . . . . . 14 ARG HE . 27379 1
107 . 1 1 14 14 ARG CA C 13 57.684 0.000 . 1 . . . . . 14 ARG CA . 27379 1
108 . 1 1 15 15 GLN H H 1 8.100 0.003 . 1 . . . . . 15 GLN H . 27379 1
109 . 1 1 15 15 GLN HA H 1 4.174 0.003 . 1 . . . . . 15 GLN HA . 27379 1
110 . 1 1 15 15 GLN HB2 H 1 1.961 0.003 . 2 . . . . . 15 GLN HB2 . 27379 1
111 . 1 1 15 15 GLN HB3 H 1 1.855 0.003 . 2 . . . . . 15 GLN HB3 . 27379 1
112 . 1 1 15 15 GLN HG2 H 1 2.213 0.004 . 2 . . . . . 15 GLN HG2 . 27379 1
113 . 1 1 15 15 GLN HG3 H 1 2.213 0.003 . 2 . . . . . 15 GLN HG3 . 27379 1
114 . 1 1 15 15 GLN CA C 13 56.233 0.000 . 1 . . . . . 15 GLN CA . 27379 1
115 . 1 1 15 15 GLN CB C 13 28.736 0.024 . 1 . . . . . 15 GLN CB . 27379 1
116 . 1 1 15 15 GLN CG C 13 33.801 0.000 . 1 . . . . . 15 GLN CG . 27379 1
117 . 1 1 16 16 CYS H H 1 7.971 0.002 . 1 . . . . . 16 CYS H . 27379 1
118 . 1 1 16 16 CYS HA H 1 4.463 0.003 . 1 . . . . . 16 CYS HA . 27379 1
119 . 1 1 16 16 CYS HB2 H 1 3.076 0.005 . 2 . . . . . 16 CYS HB2 . 27379 1
120 . 1 1 16 16 CYS HB3 H 1 2.961 0.008 . 2 . . . . . 16 CYS HB3 . 27379 1
121 . 1 1 16 16 CYS CA C 13 64.356 0.000 . 1 . . . . . 16 CYS CA . 27379 1
122 . 1 1 16 16 CYS CB C 13 42.092 0.013 . 1 . . . . . 16 CYS CB . 27379 1
123 . 1 1 17 17 LYS H H 1 8.064 0.002 . 1 . . . . . 17 LYS H . 27379 1
124 . 1 1 17 17 LYS HA H 1 4.449 0.002 . 1 . . . . . 17 LYS HA . 27379 1
125 . 1 1 17 17 LYS HB2 H 1 1.659 0.003 . 2 . . . . . 17 LYS HB2 . 27379 1
126 . 1 1 17 17 LYS HB3 H 1 1.582 0.003 . 2 . . . . . 17 LYS HB3 . 27379 1
127 . 1 1 17 17 LYS HG2 H 1 1.296 0.003 . 2 . . . . . 17 LYS HG2 . 27379 1
128 . 1 1 17 17 LYS HG3 H 1 1.341 0.005 . 2 . . . . . 17 LYS HG3 . 27379 1
129 . 1 1 17 17 LYS HD2 H 1 1.536 0.002 . 1 . . . . . 17 LYS HD2 . 27379 1
130 . 1 1 17 17 LYS HD3 H 1 1.536 0.002 . 1 . . . . . 17 LYS HD3 . 27379 1
131 . 1 1 17 17 LYS HE2 H 1 2.835 0.005 . 1 . . . . . 17 LYS HE2 . 27379 1
132 . 1 1 17 17 LYS HE3 H 1 2.835 0.005 . 1 . . . . . 17 LYS HE3 . 27379 1
133 . 1 1 17 17 LYS HZ1 H 1 7.419 0.000 . 1 . . . . . 17 LYS HZ1 . 27379 1
134 . 1 1 17 17 LYS HZ2 H 1 7.419 0.000 . 1 . . . . . 17 LYS HZ2 . 27379 1
135 . 1 1 17 17 LYS HZ3 H 1 7.419 0.000 . 1 . . . . . 17 LYS HZ3 . 27379 1
136 . 1 1 17 17 LYS CB C 13 32.433 0.034 . 1 . . . . . 17 LYS CB . 27379 1
137 . 1 1 17 17 LYS CE C 13 42.037 0.000 . 1 . . . . . 17 LYS CE . 27379 1
138 . 1 1 18 18 HYP HA H 1 4.392 0.005 . 1 . . . . . 18 HYP HA . 27379 1
139 . 1 1 18 18 HYP HB2 H 1 2.169 0.002 . 2 . . . . . 18 HYP HB2 . 27379 1
140 . 1 1 18 18 HYP HB3 H 1 1.833 0.004 . 2 . . . . . 18 HYP HB3 . 27379 1
141 . 1 1 18 18 HYP HG H 1 4.451 0.003 . 1 . . . . . 18 HYP HG . 27379 1
142 . 1 1 18 18 HYP HD22 H 1 3.727 0.003 . 2 . . . . . 18 HYP HD22 . 27379 1
143 . 1 1 18 18 HYP HD23 H 1 3.639 0.003 . 2 . . . . . 18 HYP HD23 . 27379 1
144 . 1 1 18 18 HYP CA C 13 61.553 0.000 . 1 . . . . . 18 HYP CA . 27379 1
145 . 1 1 18 18 HYP CD C 13 58.181 0.005 . 1 . . . . . 18 HYP CD2 . 27379 1
146 . 1 1 19 19 HIS H H 1 8.667 0.001 . 1 . . . . . 19 HIS H . 27379 1
147 . 1 1 19 19 HIS HA H 1 4.531 0.004 . 1 . . . . . 19 HIS HA . 27379 1
148 . 1 1 19 19 HIS HB2 H 1 3.087 0.008 . 1 . . . . . 19 HIS HB2 . 27379 1
149 . 1 1 19 19 HIS HB3 H 1 3.087 0.008 . 1 . . . . . 19 HIS HB3 . 27379 1
150 . 1 1 19 19 HIS CA C 13 56.986 0.000 . 1 . . . . . 19 HIS CA . 27379 1
151 . 1 1 19 19 HIS CB C 13 28.995 0.000 . 1 . . . . . 19 HIS CB . 27379 1
152 . 1 1 20 20 ARG H H 1 8.359 0.002 . 1 . . . . . 20 ARG H . 27379 1
153 . 1 1 20 20 ARG HA H 1 4.179 0.006 . 1 . . . . . 20 ARG HA . 27379 1
154 . 1 1 20 20 ARG HB2 H 1 1.598 0.003 . 2 . . . . . 20 ARG HB2 . 27379 1
155 . 1 1 20 20 ARG HB3 H 1 1.652 0.013 . 2 . . . . . 20 ARG HB3 . 27379 1
156 . 1 1 20 20 ARG HG2 H 1 1.462 0.007 . 2 . . . . . 20 ARG HG2 . 27379 1
157 . 1 1 20 20 ARG HG3 H 1 1.462 0.008 . 2 . . . . . 20 ARG HG3 . 27379 1
158 . 1 1 20 20 ARG HD2 H 1 3.038 0.004 . 1 . . . . . 20 ARG HD2 . 27379 1
159 . 1 1 20 20 ARG HE H 1 7.062 0.000 . 1 . . . . . 20 ARG HE . 27379 1
160 . 1 1 21 21 CYS H H 1 8.157 0.005 . 1 . . . . . 21 CYS H . 27379 1
161 . 1 1 21 21 CYS HA H 1 4.812 0.003 . 1 . . . . . 21 CYS HA . 27379 1
162 . 1 1 21 21 CYS HB2 H 1 3.283 0.007 . 2 . . . . . 21 CYS HB2 . 27379 1
163 . 1 1 21 21 CYS HB3 H 1 3.482 0.000 . 2 . . . . . 21 CYS HB3 . 27379 1
164 . 1 1 22 22 CYS H H 1 8.674 0.004 . 1 . . . . . 22 CYS H . 27379 1
165 . 1 1 22 22 CYS HA H 1 3.816 0.000 . 1 . . . . . 22 CYS HA . 27379 1
166 . 1 1 22 22 CYS HB2 H 1 3.194 0.000 . 1 . . . . . 22 CYS HB2 . 27379 1
stop_
save_