###################################
# 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 31143
_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' . . . 31143 1
2 '2D 1H-1H NOESY' . . . 31143 1
3 '2D 1H-1H NOESY' . . . 31143 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 ASP H H 1 8.492 0.020 . . . . . . A 1 ASP H1 . 31143 1
2 . 1 . 1 1 1 ASP HA H 1 4.627 0.020 . . . . . . A 1 ASP HA . 31143 1
3 . 1 . 1 1 1 ASP HB2 H 1 2.707 0.020 . . . . . . A 1 ASP HB2 . 31143 1
4 . 1 . 1 2 2 LYS H H 1 8.308 0.020 . . . . . . A 2 LYS H . 31143 1
5 . 1 . 1 2 2 LYS HA H 1 4.632 0.020 . . . . . . A 2 LYS HA . 31143 1
6 . 1 . 1 2 2 LYS HB2 H 1 1.883 0.020 . . . . . . A 2 LYS HB2 . 31143 1
7 . 1 . 1 2 2 LYS HB3 H 1 1.728 0.020 . . . . . . A 2 LYS HB3 . 31143 1
8 . 1 . 1 2 2 LYS HG2 H 1 1.470 0.020 . . . . . . A 2 LYS HG2 . 31143 1
9 . 1 . 1 2 2 LYS HG3 H 1 1.540 0.020 . . . . . . A 2 LYS HG3 . 31143 1
10 . 1 . 1 2 2 LYS HD2 H 1 1.622 0.020 . . . . . . A 2 LYS HD2 . 31143 1
11 . 1 . 1 3 3 PRO HA H 1 3.836 0.020 . . . . . . A 3 PRO HA . 31143 1
12 . 1 . 1 3 3 PRO HB2 H 1 2.456 0.020 . . . . . . A 3 PRO HB2 . 31143 1
13 . 1 . 1 3 3 PRO HB3 H 1 2.082 0.020 . . . . . . A 3 PRO HB3 . 31143 1
14 . 1 . 1 3 3 PRO HG2 H 1 1.870 0.020 . . . . . . A 3 PRO HG2 . 31143 1
15 . 1 . 1 3 3 PRO HG3 H 1 2.006 0.020 . . . . . . A 3 PRO HG3 . 31143 1
16 . 1 . 1 3 3 PRO HD2 H 1 3.726 0.020 . 2 . . . . A 3 PRO HD2 . 31143 1
17 . 1 . 1 3 3 PRO HD3 H 1 3.726 0.020 . 2 . . . . A 3 PRO HD3 . 31143 1
18 . 1 . 1 4 4 CYS H H 1 8.143 0.020 . . . . . . A 4 CYS H . 31143 1
19 . 1 . 1 4 4 CYS HA H 1 4.812 0.020 . . . . . . A 4 CYS HA . 31143 1
20 . 1 . 1 4 4 CYS HB2 H 1 3.060 0.020 . . . . . . A 4 CYS HB2 . 31143 1
21 . 1 . 1 4 4 CYS HB3 H 1 2.722 0.020 . . . . . . A 4 CYS HB3 . 31143 1
22 . 1 . 1 5 5 GLY H H 1 8.905 0.020 . . . . . . A 5 GLY H . 31143 1
23 . 1 . 1 5 5 GLY HA2 H 1 3.820 0.020 . . . . . . A 5 GLY HA2 . 31143 1
24 . 1 . 1 5 5 GLY HA3 H 1 3.980 0.020 . . . . . . A 5 GLY HA3 . 31143 1
25 . 1 . 1 6 6 LYS H H 1 9.166 0.020 . . . . . . A 6 LYS H . 31143 1
26 . 1 . 1 6 6 LYS HA H 1 4.023 0.020 . . . . . . A 6 LYS HA . 31143 1
27 . 1 . 1 6 6 LYS HB2 H 1 1.944 0.020 . . . . . . A 6 LYS HB2 . 31143 1
28 . 1 . 1 6 6 LYS HB3 H 1 1.837 0.020 . . . . . . A 6 LYS HB3 . 31143 1
29 . 1 . 1 6 6 LYS HG2 H 1 1.508 0.020 . . . . . . A 6 LYS HG2 . 31143 1
30 . 1 . 1 6 6 LYS HG3 H 1 1.430 0.020 . . . . . . A 6 LYS HG3 . 31143 1
31 . 1 . 1 6 6 LYS HD2 H 1 1.646 0.020 . . . . . . A 6 LYS HD2 . 31143 1
32 . 1 . 1 6 6 LYS HE2 H 1 2.990 0.020 . 2 . . . . A 6 LYS HE2 . 31143 1
33 . 1 . 1 6 6 LYS HE3 H 1 2.990 0.020 . 2 . . . . A 6 LYS HE3 . 31143 1
34 . 1 . 1 7 7 ASP H H 1 8.730 0.020 . . . . . . A 7 ASP H . 31143 1
35 . 1 . 1 7 7 ASP HA H 1 4.839 0.020 . . . . . . A 7 ASP HA . 31143 1
36 . 1 . 1 7 7 ASP HB2 H 1 2.958 0.020 . . . . . . A 7 ASP HB2 . 31143 1
37 . 1 . 1 7 7 ASP HB3 H 1 2.552 0.020 . . . . . . A 7 ASP HB3 . 31143 1
38 . 1 . 1 8 8 ALA H H 1 7.910 0.020 . . . . . . A 8 ALA H . 31143 1
39 . 1 . 1 8 8 ALA HA H 1 4.705 0.020 . . . . . . A 8 ALA HA . 31143 1
40 . 1 . 1 8 8 ALA HB1 H 1 1.072 0.020 . . . . . . A 8 ALA HB1 . 31143 1
41 . 1 . 1 8 8 ALA HB2 H 1 1.072 0.020 . . . . . . A 8 ALA HB2 . 31143 1
42 . 1 . 1 8 8 ALA HB3 H 1 1.072 0.020 . . . . . . A 8 ALA HB3 . 31143 1
43 . 1 . 1 9 9 GLY H H 1 8.339 0.020 . . . . . . A 9 GLY H . 31143 1
44 . 1 . 1 9 9 GLY HA2 H 1 3.887 0.020 . 2 . . . . A 9 GLY HA2 . 31143 1
45 . 1 . 1 9 9 GLY HA3 H 1 3.887 0.020 . 2 . . . . A 9 GLY HA3 . 31143 1
46 . 1 . 1 10 10 GLY H H 1 8.064 0.020 . . . . . . A 10 GLY H . 31143 1
47 . 1 . 1 10 10 GLY HA2 H 1 3.336 0.020 . . . . . . A 10 GLY HA2 . 31143 1
48 . 1 . 1 10 10 GLY HA3 H 1 4.097 0.020 . . . . . . A 10 GLY HA3 . 31143 1
49 . 1 . 1 11 11 ARG HA H 1 4.151 0.020 . . . . . . A 11 ARG HA . 31143 1
50 . 1 . 1 11 11 ARG HB2 H 1 1.994 0.020 . . . . . . A 11 ARG HB2 . 31143 1
51 . 1 . 1 11 11 ARG HB3 H 1 1.800 0.020 . . . . . . A 11 ARG HB3 . 31143 1
52 . 1 . 1 11 11 ARG HG2 H 1 1.719 0.020 . 2 . . . . A 11 ARG HG2 . 31143 1
53 . 1 . 1 11 11 ARG HG3 H 1 1.719 0.020 . 2 . . . . A 11 ARG HG3 . 31143 1
54 . 1 . 1 11 11 ARG HD2 H 1 3.270 0.020 . 2 . . . . A 11 ARG HD2 . 31143 1
55 . 1 . 1 11 11 ARG HD3 H 1 3.270 0.020 . 2 . . . . A 11 ARG HD3 . 31143 1
56 . 1 . 1 11 11 ARG HE H 1 6.969 0.020 . . . . . . A 11 ARG HE . 31143 1
57 . 1 . 1 12 12 VAL H H 1 8.480 0.020 . . . . . . A 12 VAL H . 31143 1
58 . 1 . 1 12 12 VAL HA H 1 4.389 0.020 . . . . . . A 12 VAL HA . 31143 1
59 . 1 . 1 12 12 VAL HB H 1 2.286 0.020 . . . . . . A 12 VAL HB . 31143 1
60 . 1 . 1 12 12 VAL HG11 H 1 1.061 0.020 . . . . . . A 12 VAL HG11 . 31143 1
61 . 1 . 1 12 12 VAL HG12 H 1 1.061 0.020 . . . . . . A 12 VAL HG12 . 31143 1
62 . 1 . 1 12 12 VAL HG13 H 1 1.061 0.020 . . . . . . A 12 VAL HG13 . 31143 1
63 . 1 . 1 12 12 VAL HG21 H 1 0.928 0.020 . . . . . . A 12 VAL HG21 . 31143 1
64 . 1 . 1 12 12 VAL HG22 H 1 0.928 0.020 . . . . . . A 12 VAL HG22 . 31143 1
65 . 1 . 1 12 12 VAL HG23 H 1 0.928 0.020 . . . . . . A 12 VAL HG23 . 31143 1
66 . 1 . 1 13 13 CYS H H 1 8.818 0.020 . . . . . . A 13 CYS H . 31143 1
67 . 1 . 1 13 13 CYS HA H 1 4.508 0.020 . . . . . . A 13 CYS HA . 31143 1
68 . 1 . 1 13 13 CYS HB2 H 1 2.935 0.020 . . . . . . A 13 CYS HB2 . 31143 1
69 . 1 . 1 13 13 CYS HB3 H 1 3.195 0.020 . . . . . . A 13 CYS HB3 . 31143 1
70 . 1 . 1 15 15 ASN H H 1 8.979 0.020 . . . . . . A 15 ASN H . 31143 1
71 . 1 . 1 15 15 ASN HA H 1 4.275 0.020 . . . . . . A 15 ASN HA . 31143 1
72 . 1 . 1 15 15 ASN HB2 H 1 2.826 0.020 . . . . . . A 15 ASN HB2 . 31143 1
73 . 1 . 1 15 15 ASN HB3 H 1 2.311 0.020 . . . . . . A 15 ASN HB3 . 31143 1
74 . 1 . 1 16 16 ASN H H 1 8.666 0.020 . . . . . . A 16 ASN H . 31143 1
75 . 1 . 1 16 16 ASN HA H 1 4.533 0.020 . . . . . . A 16 ASN HA . 31143 1
76 . 1 . 1 16 16 ASN HB2 H 1 3.162 0.020 . . . . . . A 16 ASN HB2 . 31143 1
77 . 1 . 1 16 16 ASN HB3 H 1 2.541 0.020 . . . . . . A 16 ASN HB3 . 31143 1
78 . 1 . 1 16 16 ASN HD21 H 1 7.548 0.020 . . . . . . A 16 ASN HD21 . 31143 1
79 . 1 . 1 16 16 ASN HD22 H 1 6.788 0.020 . . . . . . A 16 ASN HD22 . 31143 1
80 . 1 . 1 17 17 TYR H H 1 7.883 0.020 . . . . . . A 17 TYR H . 31143 1
81 . 1 . 1 17 17 TYR HA H 1 4.326 0.020 . . . . . . A 17 TYR HA . 31143 1
82 . 1 . 1 17 17 TYR HB2 H 1 3.246 0.020 . . . . . . A 17 TYR HB2 . 31143 1
83 . 1 . 1 17 17 TYR HB3 H 1 2.839 0.020 . . . . . . A 17 TYR HB3 . 31143 1
84 . 1 . 1 17 17 TYR HD1 H 1 6.860 0.020 . 3 . . . . A 17 TYR HD1 . 31143 1
85 . 1 . 1 17 17 TYR HD2 H 1 6.860 0.020 . 3 . . . . A 17 TYR HD2 . 31143 1
86 . 1 . 1 17 17 TYR HE1 H 1 6.773 0.020 . 3 . . . . A 17 TYR HE1 . 31143 1
87 . 1 . 1 17 17 TYR HE2 H 1 6.773 0.020 . 3 . . . . A 17 TYR HE2 . 31143 1
88 . 1 . 1 18 18 CYS H H 1 8.301 0.020 . . . . . . A 18 CYS H . 31143 1
89 . 1 . 1 18 18 CYS HA H 1 4.570 0.020 . . . . . . A 18 CYS HA . 31143 1
90 . 1 . 1 18 18 CYS HB2 H 1 2.987 0.020 . . . . . . A 18 CYS HB2 . 31143 1
91 . 1 . 1 18 18 CYS HB3 H 1 3.630 0.020 . . . . . . A 18 CYS HB3 . 31143 1
92 . 1 . 1 19 19 CYS H H 1 8.092 0.020 . . . . . . A 19 CYS H . 31143 1
93 . 1 . 1 19 19 CYS HA H 1 5.196 0.020 . . . . . . A 19 CYS HA . 31143 1
94 . 1 . 1 19 19 CYS HB2 H 1 2.983 0.020 . 2 . . . . A 19 CYS HB2 . 31143 1
95 . 1 . 1 19 19 CYS HB3 H 1 2.983 0.020 . 2 . . . . A 19 CYS HB3 . 31143 1
96 . 1 . 1 21 21 LYS H H 1 8.935 0.020 . . . . . . A 21 LYS H . 31143 1
97 . 1 . 1 21 21 LYS HA H 1 3.891 0.020 . . . . . . A 21 LYS HA . 31143 1
98 . 1 . 1 21 21 LYS HB2 H 1 1.623 0.020 . . . . . . A 21 LYS HB2 . 31143 1
99 . 1 . 1 21 21 LYS HB3 H 1 1.266 0.020 . . . . . . A 21 LYS HB3 . 31143 1
100 . 1 . 1 21 21 LYS HG2 H 1 0.745 0.020 . . . . . . A 21 LYS HG2 . 31143 1
101 . 1 . 1 21 21 LYS HG3 H 1 0.382 0.020 . . . . . . A 21 LYS HG3 . 31143 1
102 . 1 . 1 21 21 LYS HD2 H 1 1.152 0.020 . . . . . . A 21 LYS HD2 . 31143 1
103 . 1 . 1 21 21 LYS HE2 H 1 2.539 0.020 . 2 . . . . A 21 LYS HE2 . 31143 1
104 . 1 . 1 21 21 LYS HE3 H 1 2.539 0.020 . 2 . . . . A 21 LYS HE3 . 31143 1
105 . 1 . 1 22 22 TRP H H 1 7.154 0.020 . . . . . . A 22 TRP H . 31143 1
106 . 1 . 1 22 22 TRP HA H 1 4.840 0.020 . . . . . . A 22 TRP HA . 31143 1
107 . 1 . 1 22 22 TRP HB2 H 1 3.046 0.020 . . . . . . A 22 TRP HB2 . 31143 1
108 . 1 . 1 22 22 TRP HB3 H 1 3.530 0.020 . . . . . . A 22 TRP HB3 . 31143 1
109 . 1 . 1 22 22 TRP HD1 H 1 7.227 0.020 . . . . . . A 22 TRP HD1 . 31143 1
110 . 1 . 1 22 22 TRP HE1 H 1 10.211 0.020 . . . . . . A 22 TRP HE1 . 31143 1
111 . 1 . 1 22 22 TRP HE3 H 1 7.658 0.020 . . . . . . A 22 TRP HE3 . 31143 1
112 . 1 . 1 22 22 TRP HZ2 H 1 7.363 0.020 . . . . . . A 22 TRP HZ2 . 31143 1
113 . 1 . 1 22 22 TRP HZ3 H 1 7.144 0.020 . . . . . . A 22 TRP HZ3 . 31143 1
114 . 1 . 1 23 23 GLY H H 1 8.186 0.020 . . . . . . A 23 GLY H . 31143 1
115 . 1 . 1 23 23 GLY HA2 H 1 3.740 0.020 . . . . . . A 23 GLY HA2 . 31143 1
116 . 1 . 1 23 23 GLY HA3 H 1 4.231 0.020 . . . . . . A 23 GLY HA3 . 31143 1
117 . 1 . 1 24 24 SER H H 1 7.472 0.020 . . . . . . A 24 SER H . 31143 1
118 . 1 . 1 24 24 SER HA H 1 5.205 0.020 . . . . . . A 24 SER HA . 31143 1
119 . 1 . 1 24 24 SER HB2 H 1 3.964 0.020 . . . . . . A 24 SER HB2 . 31143 1
120 . 1 . 1 24 24 SER HB3 H 1 3.923 0.020 . . . . . . A 24 SER HB3 . 31143 1
121 . 1 . 1 25 25 CYS H H 1 8.881 0.020 . . . . . . A 25 CYS H . 31143 1
122 . 1 . 1 25 25 CYS HA H 1 5.670 0.020 . . . . . . A 25 CYS HA . 31143 1
123 . 1 . 1 25 25 CYS HB2 H 1 2.922 0.020 . . . . . . A 25 CYS HB2 . 31143 1
124 . 1 . 1 25 25 CYS HB3 H 1 3.029 0.020 . . . . . . A 25 CYS HB3 . 31143 1
125 . 1 . 1 26 26 GLY H H 1 9.098 0.020 . . . . . . A 26 GLY H . 31143 1
126 . 1 . 1 26 26 GLY HA2 H 1 3.447 0.020 . . . . . . A 26 GLY HA2 . 31143 1
127 . 1 . 1 26 26 GLY HA3 H 1 1.851 0.020 . . . . . . A 26 GLY HA3 . 31143 1
128 . 1 . 1 27 27 ILE H H 1 7.557 0.020 . . . . . . A 27 ILE H . 31143 1
129 . 1 . 1 27 27 ILE HA H 1 4.759 0.020 . . . . . . A 27 ILE HA . 31143 1
130 . 1 . 1 27 27 ILE HB H 1 1.549 0.020 . . . . . . A 27 ILE HB . 31143 1
131 . 1 . 1 27 27 ILE HG12 H 1 1.067 0.020 . 2 . . . . A 27 ILE HG12 . 31143 1
132 . 1 . 1 27 27 ILE HG13 H 1 1.067 0.020 . 2 . . . . A 27 ILE HG13 . 31143 1
133 . 1 . 1 27 27 ILE HG21 H 1 0.700 0.020 . . . . . . A 27 ILE HG21 . 31143 1
134 . 1 . 1 27 27 ILE HG22 H 1 0.700 0.020 . . . . . . A 27 ILE HG22 . 31143 1
135 . 1 . 1 27 27 ILE HG23 H 1 0.700 0.020 . . . . . . A 27 ILE HG23 . 31143 1
136 . 1 . 1 27 27 ILE HD11 H 1 0.425 0.020 . . . . . . A 27 ILE HD11 . 31143 1
137 . 1 . 1 27 27 ILE HD12 H 1 0.425 0.020 . . . . . . A 27 ILE HD12 . 31143 1
138 . 1 . 1 27 27 ILE HD13 H 1 0.425 0.020 . . . . . . A 27 ILE HD13 . 31143 1
139 . 1 . 1 28 28 GLY H H 1 7.715 0.020 . . . . . . A 28 GLY H . 31143 1
140 . 1 . 1 28 28 GLY HA2 H 1 4.613 0.020 . . . . . . A 28 GLY HA2 . 31143 1
141 . 1 . 1 28 28 GLY HA3 H 1 3.941 0.020 . . . . . . A 28 GLY HA3 . 31143 1
142 . 1 . 1 29 29 PRO HA H 1 4.379 0.020 . . . . . . A 29 PRO HA . 31143 1
143 . 1 . 1 29 29 PRO HB2 H 1 2.417 0.020 . . . . . . A 29 PRO HB2 . 31143 1
144 . 1 . 1 29 29 PRO HB3 H 1 2.120 0.020 . . . . . . A 29 PRO HB3 . 31143 1
145 . 1 . 1 29 29 PRO HG2 H 1 2.012 0.020 . 2 . . . . A 29 PRO HG2 . 31143 1
146 . 1 . 1 29 29 PRO HG3 H 1 2.012 0.020 . 2 . . . . A 29 PRO HG3 . 31143 1
147 . 1 . 1 29 29 PRO HD2 H 1 3.697 0.020 . . . . . . A 29 PRO HD2 . 31143 1
148 . 1 . 1 29 29 PRO HD3 H 1 3.808 0.020 . . . . . . A 29 PRO HD3 . 31143 1
149 . 1 . 1 31 31 TYR H H 1 7.661 0.020 . . . . . . A 31 TYR H . 31143 1
150 . 1 . 1 31 31 TYR HA H 1 4.123 0.020 . . . . . . A 31 TYR HA . 31143 1
151 . 1 . 1 31 31 TYR HB2 H 1 2.748 0.020 . . . . . . A 31 TYR HB2 . 31143 1
152 . 1 . 1 31 31 TYR HB3 H 1 2.471 0.020 . . . . . . A 31 TYR HB3 . 31143 1
153 . 1 . 1 31 31 TYR HD1 H 1 7.010 0.020 . 3 . . . . A 31 TYR HD1 . 31143 1
154 . 1 . 1 31 31 TYR HD2 H 1 7.010 0.020 . 3 . . . . A 31 TYR HD2 . 31143 1
155 . 1 . 1 31 31 TYR HE1 H 1 6.727 0.020 . 3 . . . . A 31 TYR HE1 . 31143 1
156 . 1 . 1 31 31 TYR HE2 H 1 6.727 0.020 . 3 . . . . A 31 TYR HE2 . 31143 1
157 . 1 . 1 32 32 CYS H H 1 8.267 0.020 . . . . . . A 32 CYS H . 31143 1
158 . 1 . 1 32 32 CYS HA H 1 4.995 0.020 . . . . . . A 32 CYS HA . 31143 1
159 . 1 . 1 32 32 CYS HB2 H 1 2.773 0.020 . . . . . . A 32 CYS HB2 . 31143 1
160 . 1 . 1 32 32 CYS HB3 H 1 3.401 0.020 . . . . . . A 32 CYS HB3 . 31143 1
161 . 1 . 1 33 33 GLY H H 1 7.716 0.020 . . . . . . A 33 GLY H . 31143 1
162 . 1 . 1 33 33 GLY HA2 H 1 4.365 0.020 . . . . . . A 33 GLY HA2 . 31143 1
163 . 1 . 1 33 33 GLY HA3 H 1 3.814 0.020 . . . . . . A 33 GLY HA3 . 31143 1
164 . 1 . 1 34 34 ALA H H 1 8.388 0.020 . . . . . . A 34 ALA H . 31143 1
165 . 1 . 1 34 34 ALA HA H 1 4.066 0.020 . . . . . . A 34 ALA HA . 31143 1
166 . 1 . 1 34 34 ALA HB1 H 1 1.331 0.020 . . . . . . A 34 ALA HB1 . 31143 1
167 . 1 . 1 34 34 ALA HB2 H 1 1.331 0.020 . . . . . . A 34 ALA HB2 . 31143 1
168 . 1 . 1 34 34 ALA HB3 H 1 1.331 0.020 . . . . . . A 34 ALA HB3 . 31143 1
169 . 1 . 1 35 35 GLY H H 1 8.931 0.020 . . . . . . A 35 GLY H . 31143 1
170 . 1 . 1 35 35 GLY HA2 H 1 3.973 0.020 . . . . . . A 35 GLY HA2 . 31143 1
171 . 1 . 1 35 35 GLY HA3 H 1 3.564 0.020 . . . . . . A 35 GLY HA3 . 31143 1
172 . 1 . 1 36 36 CYS H H 1 7.968 0.020 . . . . . . A 36 CYS H . 31143 1
173 . 1 . 1 36 36 CYS HA H 1 4.466 0.020 . . . . . . A 36 CYS HA . 31143 1
174 . 1 . 1 36 36 CYS HB2 H 1 2.800 0.020 . 2 . . . . A 36 CYS HB2 . 31143 1
175 . 1 . 1 36 36 CYS HB3 H 1 2.800 0.020 . 2 . . . . A 36 CYS HB3 . 31143 1
176 . 1 . 1 37 37 GLN H H 1 9.906 0.020 . . . . . . A 37 GLN H . 31143 1
177 . 1 . 1 37 37 GLN HA H 1 4.373 0.020 . . . . . . A 37 GLN HA . 31143 1
178 . 1 . 1 37 37 GLN HB2 H 1 1.613 0.020 . . . . . . A 37 GLN HB2 . 31143 1
179 . 1 . 1 37 37 GLN HB3 H 1 2.159 0.020 . . . . . . A 37 GLN HB3 . 31143 1
180 . 1 . 1 37 37 GLN HG2 H 1 2.279 0.020 . . . . . . A 37 GLN HG2 . 31143 1
181 . 1 . 1 37 37 GLN HG3 H 1 2.368 0.020 . . . . . . A 37 GLN HG3 . 31143 1
182 . 1 . 1 37 37 GLN HE21 H 1 7.778 0.020 . . . . . . A 37 GLN HE21 . 31143 1
183 . 1 . 1 37 37 GLN HE22 H 1 7.755 0.020 . . . . . . A 37 GLN HE22 . 31143 1
184 . 1 . 1 38 38 SER H H 1 7.544 0.020 . . . . . . A 38 SER H . 31143 1
185 . 1 . 1 38 38 SER HA H 1 4.530 0.020 . . . . . . A 38 SER HA . 31143 1
186 . 1 . 1 38 38 SER HB2 H 1 4.351 0.020 . . . . . . A 38 SER HB2 . 31143 1
187 . 1 . 1 38 38 SER HB3 H 1 3.882 0.020 . . . . . . A 38 SER HB3 . 31143 1
188 . 1 . 1 39 39 GLY H H 1 8.863 0.020 . . . . . . A 39 GLY H . 31143 1
189 . 1 . 1 39 39 GLY HA2 H 1 3.636 0.020 . . . . . . A 39 GLY HA2 . 31143 1
190 . 1 . 1 39 39 GLY HA3 H 1 4.288 0.020 . . . . . . A 39 GLY HA3 . 31143 1
191 . 1 . 1 40 40 GLY H H 1 7.460 0.020 . . . . . . A 40 GLY H . 31143 1
192 . 1 . 1 40 40 GLY HA2 H 1 4.454 0.020 . . . . . . A 40 GLY HA2 . 31143 1
193 . 1 . 1 40 40 GLY HA3 H 1 3.417 0.020 . . . . . . A 40 GLY HA3 . 31143 1
194 . 1 . 1 41 41 CYS H H 1 8.336 0.020 . . . . . . A 41 CYS H . 31143 1
195 . 1 . 1 41 41 CYS HA H 1 4.693 0.020 . . . . . . A 41 CYS HA . 31143 1
196 . 1 . 1 41 41 CYS HB2 H 1 3.494 0.020 . . . . . . A 41 CYS HB2 . 31143 1
197 . 1 . 1 41 41 CYS HB3 H 1 2.600 0.020 . . . . . . A 41 CYS HB3 . 31143 1
198 . 1 . 1 42 42 ASP H H 1 9.114 0.020 . . . . . . A 42 ASP H . 31143 1
199 . 1 . 1 42 42 ASP HA H 1 4.451 0.020 . . . . . . A 42 ASP HA . 31143 1
200 . 1 . 1 42 42 ASP HB2 H 1 2.697 0.020 . . . . . . A 42 ASP HB2 . 31143 1
201 . 1 . 1 42 42 ASP HB3 H 1 2.557 0.020 . . . . . . A 42 ASP HB3 . 31143 1
202 . 1 . 1 43 43 GLY H H 1 8.177 0.020 . . . . . . A 43 GLY H . 31143 1
203 . 1 . 1 43 43 GLY HA2 H 1 3.767 0.020 . . . . . . A 43 GLY HA2 . 31143 1
204 . 1 . 1 43 43 GLY HA3 H 1 3.690 0.020 . . . . . . A 43 GLY HA3 . 31143 1
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