###################################
# 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_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 7123
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 $sample_1 isotropic 7123 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 ILE HA H 1 3.727 0.000 . 1 . . . . 1 ILE HA . 7123 1
2 . 1 1 1 1 ILE HB H 1 1.877 0.000 . 1 . . . . 1 ILE HB . 7123 1
3 . 1 1 1 1 ILE HG12 H 1 0.882 0.000 . 2 . . . . 1 ILE HG12 . 7123 1
4 . 1 1 1 1 ILE HG13 H 1 0.833 0.000 . 2 . . . . 1 ILE HG13 . 7123 1
5 . 1 1 1 1 ILE HD11 H 1 1.107 0.000 . 1 . . . . 1 ILE HD1 . 7123 1
6 . 1 1 1 1 ILE HD12 H 1 1.107 0.000 . 1 . . . . 1 ILE HD1 . 7123 1
7 . 1 1 1 1 ILE HD13 H 1 1.107 0.000 . 1 . . . . 1 ILE HD1 . 7123 1
8 . 1 1 2 2 PHE H H 1 8.493 0.000 . 1 . . . . 2 PHE H . 7123 1
9 . 1 1 2 2 PHE HA H 1 4.624 0.000 . 1 . . . . 2 PHE HA . 7123 1
10 . 1 1 2 2 PHE HB2 H 1 2.902 0.000 . 2 . . . . 2 PHE HB2 . 7123 1
11 . 1 1 2 2 PHE HB3 H 1 2.791 0.000 . 2 . . . . 2 PHE HB3 . 7123 1
12 . 1 1 2 2 PHE HD1 H 1 7.157 0.000 . 1 . . . . 2 PHE HD . 7123 1
13 . 1 1 2 2 PHE HD2 H 1 7.157 0.000 . 1 . . . . 2 PHE HD . 7123 1
14 . 1 1 3 3 GLU H H 1 8.374 0.000 . 1 . . . . 3 GLU H . 7123 1
15 . 1 1 3 3 GLU HA H 1 4.441 0.000 . 1 . . . . 3 GLU HA . 7123 1
16 . 1 1 3 3 GLU HB2 H 1 1.919 0.000 . 2 . . . . 3 GLU HB2 . 7123 1
17 . 1 1 3 3 GLU HB3 H 1 1.796 0.000 . 2 . . . . 3 GLU HB3 . 7123 1
18 . 1 1 3 3 GLU HG2 H 1 2.291 0.000 . 1 . . . . 3 GLU HG2 . 7123 1
19 . 1 1 3 3 GLU HG3 H 1 2.291 0.000 . 1 . . . . 3 GLU HG3 . 7123 1
20 . 1 1 4 4 CYS H H 1 8.481 0.000 . 1 . . . . 4 CYS H . 7123 1
21 . 1 1 4 4 CYS HA H 1 4.718 0.000 . 1 . . . . 4 CYS HA . 7123 1
22 . 1 1 4 4 CYS HB2 H 1 2.400 0.000 . 1 . . . . 4 CYS HB2 . 7123 1
23 . 1 1 4 4 CYS HB3 H 1 2.400 0.000 . 1 . . . . 4 CYS HB3 . 7123 1
24 . 1 1 5 5 VAL H H 1 8.501 0.000 . 1 . . . . 5 VAL H . 7123 1
25 . 1 1 5 5 VAL HA H 1 4.190 0.000 . 1 . . . . 5 VAL HA . 7123 1
26 . 1 1 5 5 VAL HB H 1 2.167 0.000 . 1 . . . . 5 VAL HB . 7123 1
27 . 1 1 5 5 VAL HG11 H 1 0.727 0.000 . 2 . . . . 5 VAL HG1 . 7123 1
28 . 1 1 5 5 VAL HG12 H 1 0.727 0.000 . 2 . . . . 5 VAL HG1 . 7123 1
29 . 1 1 5 5 VAL HG13 H 1 0.727 0.000 . 2 . . . . 5 VAL HG1 . 7123 1
30 . 1 1 5 5 VAL HG21 H 1 0.915 0.000 . 2 . . . . 5 VAL HG2 . 7123 1
31 . 1 1 5 5 VAL HG22 H 1 0.915 0.000 . 2 . . . . 5 VAL HG2 . 7123 1
32 . 1 1 5 5 VAL HG23 H 1 0.915 0.000 . 2 . . . . 5 VAL HG2 . 7123 1
33 . 1 1 6 6 PHE H H 1 8.607 0.000 . 1 . . . . 6 PHE H . 7123 1
34 . 1 1 6 6 PHE HA H 1 4.533 0.000 . 1 . . . . 6 PHE HA . 7123 1
35 . 1 1 6 6 PHE HB2 H 1 3.110 0.000 . 2 . . . . 6 PHE HB2 . 7123 1
36 . 1 1 6 6 PHE HB3 H 1 3.031 0.000 . 2 . . . . 6 PHE HB3 . 7123 1
37 . 1 1 6 6 PHE HD1 H 1 7.191 0.000 . 1 . . . . 6 PHE HD . 7123 1
38 . 1 1 6 6 PHE HD2 H 1 7.191 0.000 . 1 . . . . 6 PHE HD . 7123 1
39 . 1 1 6 6 PHE HE1 H 1 7.268 0.000 . 1 . . . . 6 PHE HE . 7123 1
40 . 1 1 6 6 PHE HE2 H 1 7.268 0.000 . 1 . . . . 6 PHE HE . 7123 1
41 . 1 1 7 7 SER H H 1 7.608 0.000 . 1 . . . . 7 SER H . 7123 1
42 . 1 1 7 7 SER HA H 1 4.449 0.000 . 1 . . . . 7 SER HA . 7123 1
43 . 1 1 7 7 SER HB2 H 1 3.697 0.000 . 1 . . . . 7 SER HB2 . 7123 1
44 . 1 1 7 7 SER HB3 H 1 3.697 0.000 . 1 . . . . 7 SER HB3 . 7123 1
45 . 1 1 8 8 CYS H H 1 8.891 0.000 . 1 . . . . 8 CYS H . 7123 1
46 . 1 1 8 8 CYS HA H 1 4.452 0.000 . 1 . . . . 8 CYS HA . 7123 1
47 . 1 1 8 8 CYS HB2 H 1 2.863 0.000 . 2 . . . . 8 CYS HB2 . 7123 1
48 . 1 1 8 8 CYS HB3 H 1 2.179 0.000 . 2 . . . . 8 CYS HB3 . 7123 1
49 . 1 1 9 9 ASP H H 1 6.958 0.000 . 1 . . . . 9 ASP H . 7123 1
50 . 1 1 9 9 ASP HA H 1 4.224 0.000 . 1 . . . . 9 ASP HA . 7123 1
51 . 1 1 9 9 ASP HB2 H 1 3.020 0.000 . 2 . . . . 9 ASP HB2 . 7123 1
52 . 1 1 9 9 ASP HB3 H 1 2.970 0.000 . 2 . . . . 9 ASP HB3 . 7123 1
53 . 1 1 10 10 ILE H H 1 8.912 0.000 . 1 . . . . 10 ILE H . 7123 1
54 . 1 1 10 10 ILE HA H 1 4.005 0.000 . 1 . . . . 10 ILE HA . 7123 1
55 . 1 1 10 10 ILE HB H 1 1.805 0.000 . 1 . . . . 10 ILE HB . 7123 1
56 . 1 1 10 10 ILE HG12 H 1 0.899 0.000 . 1 . . . . 10 ILE HG12 . 7123 1
57 . 1 1 10 10 ILE HG13 H 1 0.899 0.000 . 1 . . . . 10 ILE HG13 . 7123 1
58 . 1 1 10 10 ILE HG21 H 1 0.892 0.000 . 1 . . . . 10 ILE HG2 . 7123 1
59 . 1 1 10 10 ILE HG22 H 1 0.892 0.000 . 1 . . . . 10 ILE HG2 . 7123 1
60 . 1 1 10 10 ILE HG23 H 1 0.892 0.000 . 1 . . . . 10 ILE HG2 . 7123 1
61 . 1 1 11 11 LYS H H 1 7.941 0.000 . 1 . . . . 11 LYS H . 7123 1
62 . 1 1 11 11 LYS HA H 1 4.151 0.000 . 1 . . . . 11 LYS HA . 7123 1
63 . 1 1 11 11 LYS HB2 H 1 1.858 0.000 . 1 . . . . 11 LYS HB2 . 7123 1
64 . 1 1 11 11 LYS HB3 H 1 1.858 0.000 . 1 . . . . 11 LYS HB3 . 7123 1
65 . 1 1 11 11 LYS HG2 H 1 1.463 0.000 . 2 . . . . 11 LYS HG2 . 7123 1
66 . 1 1 11 11 LYS HG3 H 1 1.380 0.000 . 2 . . . . 11 LYS HG3 . 7123 1
67 . 1 1 11 11 LYS HD2 H 1 1.623 0.000 . 1 . . . . 11 LYS HD2 . 7123 1
68 . 1 1 11 11 LYS HD3 H 1 1.623 0.000 . 1 . . . . 11 LYS HD3 . 7123 1
69 . 1 1 11 11 LYS HE2 H 1 2.922 0.000 . 1 . . . . 11 LYS HE2 . 7123 1
70 . 1 1 11 11 LYS HE3 H 1 2.922 0.000 . 1 . . . . 11 LYS HE3 . 7123 1
71 . 1 1 12 12 LYS H H 1 7.803 0.000 . 1 . . . . 12 LYS H . 7123 1
72 . 1 1 12 12 LYS HA H 1 4.306 0.000 . 1 . . . . 12 LYS HA . 7123 1
73 . 1 1 12 12 LYS HB2 H 1 2.279 0.000 . 1 . . . . 12 LYS HB2 . 7123 1
74 . 1 1 12 12 LYS HB3 H 1 2.279 0.000 . 1 . . . . 12 LYS HB3 . 7123 1
75 . 1 1 12 12 LYS HG2 H 1 1.511 0.000 . 2 . . . . 12 LYS HG2 . 7123 1
76 . 1 1 12 12 LYS HG3 H 1 1.376 0.000 . 2 . . . . 12 LYS HG3 . 7123 1
77 . 1 1 12 12 LYS HE2 H 1 2.909 0.000 . 1 . . . . 12 LYS HE2 . 7123 1
78 . 1 1 12 12 LYS HE3 H 1 2.909 0.000 . 1 . . . . 12 LYS HE3 . 7123 1
79 . 1 1 13 13 GLU H H 1 7.175 0.000 . 1 . . . . 13 GLU H . 7123 1
80 . 1 1 13 13 GLU HA H 1 3.835 0.000 . 1 . . . . 13 GLU HA . 7123 1
81 . 1 1 13 13 GLU HB2 H 1 2.401 0.000 . 1 . . . . 13 GLU HB2 . 7123 1
82 . 1 1 13 13 GLU HB3 H 1 2.401 0.000 . 1 . . . . 13 GLU HB3 . 7123 1
83 . 1 1 13 13 GLU HG2 H 1 1.853 0.000 . 1 . . . . 13 GLU HG2 . 7123 1
84 . 1 1 13 13 GLU HG3 H 1 1.853 0.000 . 1 . . . . 13 GLU HG3 . 7123 1
85 . 1 1 14 14 GLY H H 1 9.150 0.000 . 1 . . . . 14 GLY H . 7123 1
86 . 1 1 14 14 GLY HA2 H 1 4.267 0.000 . 2 . . . . 14 GLY HA2 . 7123 1
87 . 1 1 14 14 GLY HA3 H 1 3.638 0.000 . 2 . . . . 14 GLY HA3 . 7123 1
88 . 1 1 15 15 LYS H H 1 8.103 0.000 . 1 . . . . 15 LYS H . 7123 1
89 . 1 1 15 15 LYS HA H 1 4.566 0.000 . 1 . . . . 15 LYS HA . 7123 1
90 . 1 1 15 15 LYS HB2 H 1 1.900 0.000 . 2 . . . . 15 LYS HB2 . 7123 1
91 . 1 1 15 15 LYS HB3 H 1 1.777 0.000 . 2 . . . . 15 LYS HB3 . 7123 1
92 . 1 1 15 15 LYS HG2 H 1 1.293 0.000 . 1 . . . . 15 LYS HG2 . 7123 1
93 . 1 1 15 15 LYS HG3 H 1 1.293 0.000 . 1 . . . . 15 LYS HG3 . 7123 1
94 . 1 1 16 16 PRO HA H 1 4.986 0.000 . 1 . . . . 16 PRO HA . 7123 1
95 . 1 1 16 16 PRO HB2 H 1 2.192 0.000 . 2 . . . . 16 PRO HB2 . 7123 1
96 . 1 1 16 16 PRO HB3 H 1 2.133 0.000 . 2 . . . . 16 PRO HB3 . 7123 1
97 . 1 1 16 16 PRO HG2 H 1 1.783 0.000 . 1 . . . . 16 PRO HG2 . 7123 1
98 . 1 1 16 16 PRO HG3 H 1 1.783 0.000 . 1 . . . . 16 PRO HG3 . 7123 1
99 . 1 1 16 16 PRO HD2 H 1 3.929 0.000 . 2 . . . . 16 PRO HD2 . 7123 1
100 . 1 1 16 16 PRO HD3 H 1 3.704 0.000 . 2 . . . . 16 PRO HD3 . 7123 1
101 . 1 1 17 17 CYS H H 1 8.219 0.000 . 1 . . . . 17 CYS H . 7123 1
102 . 1 1 17 17 CYS HA H 1 5.046 0.000 . 1 . . . . 17 CYS HA . 7123 1
103 . 1 1 17 17 CYS HB2 H 1 2.926 0.000 . 1 . . . . 17 CYS HB2 . 7123 1
104 . 1 1 17 17 CYS HB3 H 1 2.926 0.000 . 1 . . . . 17 CYS HB3 . 7123 1
105 . 1 1 18 18 LYS H H 1 8.025 0.000 . 1 . . . . 18 LYS H . 7123 1
106 . 1 1 18 18 LYS HA H 1 4.578 0.000 . 1 . . . . 18 LYS HA . 7123 1
107 . 1 1 18 18 LYS HB2 H 1 1.606 0.000 . 1 . . . . 18 LYS HB2 . 7123 1
108 . 1 1 18 18 LYS HB3 H 1 1.606 0.000 . 1 . . . . 18 LYS HB3 . 7123 1
109 . 1 1 18 18 LYS HG2 H 1 1.310 0.000 . 2 . . . . 18 LYS HG2 . 7123 1
110 . 1 1 18 18 LYS HG3 H 1 1.092 0.000 . 2 . . . . 18 LYS HG3 . 7123 1
111 . 1 1 18 18 LYS HD2 H 1 1.234 0.000 . 1 . . . . 18 LYS HD2 . 7123 1
112 . 1 1 18 18 LYS HD3 H 1 1.234 0.000 . 1 . . . . 18 LYS HD3 . 7123 1
113 . 1 1 18 18 LYS HE2 H 1 2.613 0.000 . 1 . . . . 18 LYS HE2 . 7123 1
114 . 1 1 18 18 LYS HE3 H 1 2.613 0.000 . 1 . . . . 18 LYS HE3 . 7123 1
115 . 1 1 19 19 PRO HA H 1 4.023 0.000 . 1 . . . . 19 PRO HA . 7123 1
116 . 1 1 19 19 PRO HB2 H 1 1.254 0.000 . 2 . . . . 19 PRO HB2 . 7123 1
117 . 1 1 19 19 PRO HB3 H 1 1.156 0.000 . 2 . . . . 19 PRO HB3 . 7123 1
118 . 1 1 19 19 PRO HG2 H 1 0.538 0.000 . 2 . . . . 19 PRO HG2 . 7123 1
119 . 1 1 19 19 PRO HG3 H 1 -0.089 0.000 . 2 . . . . 19 PRO HG3 . 7123 1
120 . 1 1 19 19 PRO HD2 H 1 2.823 0.000 . 1 . . . . 19 PRO HD2 . 7123 1
121 . 1 1 19 19 PRO HD3 H 1 2.823 0.000 . 1 . . . . 19 PRO HD3 . 7123 1
122 . 1 1 20 20 LYS H H 1 8.169 0.000 . 1 . . . . 20 LYS H . 7123 1
123 . 1 1 20 20 LYS HA H 1 3.834 0.000 . 1 . . . . 20 LYS HA . 7123 1
124 . 1 1 20 20 LYS HB2 H 1 1.672 0.000 . 2 . . . . 20 LYS HB2 . 7123 1
125 . 1 1 20 20 LYS HB3 H 1 1.586 0.000 . 2 . . . . 20 LYS HB3 . 7123 1
126 . 1 1 20 20 LYS HG2 H 1 1.250 0.000 . 1 . . . . 20 LYS HG2 . 7123 1
127 . 1 1 20 20 LYS HG3 H 1 1.250 0.000 . 1 . . . . 20 LYS HG3 . 7123 1
128 . 1 1 20 20 LYS HD2 H 1 1.146 0.000 . 1 . . . . 20 LYS HD2 . 7123 1
129 . 1 1 20 20 LYS HD3 H 1 1.146 0.000 . 1 . . . . 20 LYS HD3 . 7123 1
130 . 1 1 21 21 GLY H H 1 8.562 0.000 . 1 . . . . 21 GLY H . 7123 1
131 . 1 1 21 21 GLY HA2 H 1 3.972 0.000 . 2 . . . . 21 GLY HA2 . 7123 1
132 . 1 1 21 21 GLY HA3 H 1 3.593 0.000 . 2 . . . . 21 GLY HA3 . 7123 1
133 . 1 1 22 22 GLU H H 1 7.364 0.000 . 1 . . . . 22 GLU H . 7123 1
134 . 1 1 22 22 GLU HA H 1 4.401 0.000 . 1 . . . . 22 GLU HA . 7123 1
135 . 1 1 22 22 GLU HB2 H 1 2.087 0.000 . 2 . . . . 22 GLU HB2 . 7123 1
136 . 1 1 22 22 GLU HB3 H 1 1.936 0.000 . 2 . . . . 22 GLU HB3 . 7123 1
137 . 1 1 22 22 GLU HG2 H 1 1.489 0.000 . 1 . . . . 22 GLU HG2 . 7123 1
138 . 1 1 22 22 GLU HG3 H 1 1.489 0.000 . 1 . . . . 22 GLU HG3 . 7123 1
139 . 1 1 23 23 LYS H H 1 8.547 0.000 . 1 . . . . 23 LYS H . 7123 1
140 . 1 1 23 23 LYS HA H 1 4.159 0.000 . 1 . . . . 23 LYS HA . 7123 1
141 . 1 1 23 23 LYS HB2 H 1 1.644 0.000 . 1 . . . . 23 LYS HB2 . 7123 1
142 . 1 1 23 23 LYS HB3 H 1 1.644 0.000 . 1 . . . . 23 LYS HB3 . 7123 1
143 . 1 1 23 23 LYS HG2 H 1 1.789 0.000 . 2 . . . . 23 LYS HG2 . 7123 1
144 . 1 1 23 23 LYS HG3 H 1 1.559 0.000 . 2 . . . . 23 LYS HG3 . 7123 1
145 . 1 1 23 23 LYS HD2 H 1 1.400 0.000 . 2 . . . . 23 LYS HD2 . 7123 1
146 . 1 1 23 23 LYS HD3 H 1 1.300 0.000 . 2 . . . . 23 LYS HD3 . 7123 1
147 . 1 1 24 24 LYS H H 1 7.851 0.000 . 1 . . . . 24 LYS H . 7123 1
148 . 1 1 24 24 LYS HA H 1 4.419 0.000 . 1 . . . . 24 LYS HA . 7123 1
149 . 1 1 24 24 LYS HB2 H 1 1.656 0.000 . 1 . . . . 24 LYS HB2 . 7123 1
150 . 1 1 24 24 LYS HB3 H 1 1.656 0.000 . 1 . . . . 24 LYS HB3 . 7123 1
151 . 1 1 24 24 LYS HG2 H 1 1.268 0.000 . 1 . . . . 24 LYS HG2 . 7123 1
152 . 1 1 24 24 LYS HG3 H 1 1.268 0.000 . 1 . . . . 24 LYS HG3 . 7123 1
153 . 1 1 24 24 LYS HD2 H 1 1.571 0.000 . 1 . . . . 24 LYS HD2 . 7123 1
154 . 1 1 24 24 LYS HD3 H 1 1.571 0.000 . 1 . . . . 24 LYS HD3 . 7123 1
155 . 1 1 25 25 CYS H H 1 8.915 0.000 . 1 . . . . 25 CYS H . 7123 1
156 . 1 1 25 25 CYS HA H 1 4.615 0.000 . 1 . . . . 25 CYS HA . 7123 1
157 . 1 1 25 25 CYS HB2 H 1 3.123 0.000 . 2 . . . . 25 CYS HB2 . 7123 1
158 . 1 1 25 25 CYS HB3 H 1 2.865 0.000 . 2 . . . . 25 CYS HB3 . 7123 1
159 . 1 1 26 26 THR H H 1 8.453 0.000 . 1 . . . . 26 THR H . 7123 1
160 . 1 1 26 26 THR HA H 1 4.431 0.000 . 1 . . . . 26 THR HA . 7123 1
161 . 1 1 26 26 THR HG21 H 1 1.177 0.000 . 1 . . . . 26 THR HG2 . 7123 1
162 . 1 1 26 26 THR HG22 H 1 1.177 0.000 . 1 . . . . 26 THR HG2 . 7123 1
163 . 1 1 26 26 THR HG23 H 1 1.177 0.000 . 1 . . . . 26 THR HG2 . 7123 1
164 . 1 1 27 27 GLY H H 1 8.437 0.000 . 1 . . . . 27 GLY H . 7123 1
165 . 1 1 27 27 GLY HA2 H 1 3.675 0.000 . 2 . . . . 27 GLY HA2 . 7123 1
166 . 1 1 27 27 GLY HA3 H 1 3.317 0.000 . 2 . . . . 27 GLY HA3 . 7123 1
167 . 1 1 28 28 GLY H H 1 8.407 0.000 . 1 . . . . 28 GLY H . 7123 1
168 . 1 1 28 28 GLY HA2 H 1 3.826 0.000 . 2 . . . . 28 GLY HA2 . 7123 1
169 . 1 1 28 28 GLY HA3 H 1 3.592 0.000 . 2 . . . . 28 GLY HA3 . 7123 1
170 . 1 1 29 29 TRP H H 1 7.815 0.000 . 1 . . . . 29 TRP H . 7123 1
171 . 1 1 29 29 TRP HA H 1 5.024 0.000 . 1 . . . . 29 TRP HA . 7123 1
172 . 1 1 29 29 TRP HB2 H 1 3.178 0.000 . 2 . . . . 29 TRP HB2 . 7123 1
173 . 1 1 29 29 TRP HB3 H 1 3.030 0.000 . 2 . . . . 29 TRP HB3 . 7123 1
174 . 1 1 29 29 TRP HD1 H 1 6.874 0.000 . 1 . . . . 29 TRP HD1 . 7123 1
175 . 1 1 29 29 TRP HE1 H 1 9.995 0.000 . 1 . . . . 29 TRP HE1 . 7123 1
176 . 1 1 29 29 TRP HE3 H 1 7.249 0.000 . 1 . . . . 29 TRP HE3 . 7123 1
177 . 1 1 29 29 TRP HZ2 H 1 7.094 0.000 . 1 . . . . 29 TRP HZ2 . 7123 1
178 . 1 1 29 29 TRP HZ3 H 1 7.094 0.000 . 1 . . . . 29 TRP HZ3 . 7123 1
179 . 1 1 29 29 TRP HH2 H 1 7.348 0.000 . 1 . . . . 29 TRP HH2 . 7123 1
180 . 1 1 30 30 ARG H H 1 9.163 0.000 . 1 . . . . 30 ARG H . 7123 1
181 . 1 1 30 30 ARG HA H 1 5.147 0.000 . 1 . . . . 30 ARG HA . 7123 1
182 . 1 1 30 30 ARG HB2 H 1 1.461 0.000 . 2 . . . . 30 ARG HB2 . 7123 1
183 . 1 1 30 30 ARG HB3 H 1 1.290 0.000 . 2 . . . . 30 ARG HB3 . 7123 1
184 . 1 1 30 30 ARG HG2 H 1 1.395 0.000 . 2 . . . . 30 ARG HG2 . 7123 1
185 . 1 1 30 30 ARG HG3 H 1 1.188 0.000 . 2 . . . . 30 ARG HG3 . 7123 1
186 . 1 1 30 30 ARG HD2 H 1 3.092 0.000 . 2 . . . . 30 ARG HD2 . 7123 1
187 . 1 1 30 30 ARG HD3 H 1 2.905 0.000 . 2 . . . . 30 ARG HD3 . 7123 1
188 . 1 1 30 30 ARG HE H 1 7.167 0.000 . 1 . . . . 30 ARG HE . 7123 1
189 . 1 1 31 31 CYS H H 1 8.475 0.000 . 1 . . . . 31 CYS H . 7123 1
190 . 1 1 31 31 CYS HA H 1 5.014 0.000 . 1 . . . . 31 CYS HA . 7123 1
191 . 1 1 31 31 CYS HB2 H 1 2.970 0.000 . 1 . . . . 31 CYS HB2 . 7123 1
192 . 1 1 31 31 CYS HB3 H 1 2.970 0.000 . 1 . . . . 31 CYS HB3 . 7123 1
193 . 1 1 32 32 LYS H H 1 9.613 0.000 . 1 . . . . 32 LYS H . 7123 1
194 . 1 1 32 32 LYS HA H 1 4.500 0.000 . 1 . . . . 32 LYS HA . 7123 1
195 . 1 1 32 32 LYS HB2 H 1 1.790 0.000 . 1 . . . . 32 LYS HB2 . 7123 1
196 . 1 1 32 32 LYS HB3 H 1 1.790 0.000 . 1 . . . . 32 LYS HB3 . 7123 1
197 . 1 1 32 32 LYS HG2 H 1 1.562 0.000 . 1 . . . . 32 LYS HG2 . 7123 1
198 . 1 1 32 32 LYS HG3 H 1 1.562 0.000 . 1 . . . . 32 LYS HG3 . 7123 1
199 . 1 1 32 32 LYS HD2 H 1 1.281 0.000 . 1 . . . . 32 LYS HD2 . 7123 1
200 . 1 1 32 32 LYS HD3 H 1 1.281 0.000 . 1 . . . . 32 LYS HD3 . 7123 1
201 . 1 1 33 33 ILE H H 1 7.832 0.000 . 1 . . . . 33 ILE H . 7123 1
202 . 1 1 33 33 ILE HA H 1 3.975 0.000 . 1 . . . . 33 ILE HA . 7123 1
203 . 1 1 33 33 ILE HB H 1 1.702 0.000 . 1 . . . . 33 ILE HB . 7123 1
204 . 1 1 33 33 ILE HG12 H 1 0.904 0.000 . 1 . . . . 33 ILE HG12 . 7123 1
205 . 1 1 33 33 ILE HG13 H 1 0.904 0.000 . 1 . . . . 33 ILE HG13 . 7123 1
206 . 1 1 33 33 ILE HD11 H 1 1.357 0.000 . 1 . . . . 33 ILE HD1 . 7123 1
207 . 1 1 33 33 ILE HD12 H 1 1.357 0.000 . 1 . . . . 33 ILE HD1 . 7123 1
208 . 1 1 33 33 ILE HD13 H 1 1.357 0.000 . 1 . . . . 33 ILE HD1 . 7123 1
209 . 1 1 34 34 LYS H H 1 9.070 0.000 . 1 . . . . 34 LYS H . 7123 1
210 . 1 1 34 34 LYS HA H 1 2.959 0.000 . 1 . . . . 34 LYS HA . 7123 1
211 . 1 1 34 34 LYS HB2 H 1 2.268 0.000 . 1 . . . . 34 LYS HB2 . 7123 1
212 . 1 1 34 34 LYS HB3 H 1 2.268 0.000 . 1 . . . . 34 LYS HB3 . 7123 1
213 . 1 1 34 34 LYS HG2 H 1 0.909 0.000 . 1 . . . . 34 LYS HG2 . 7123 1
214 . 1 1 34 34 LYS HG3 H 1 0.909 0.000 . 1 . . . . 34 LYS HG3 . 7123 1
215 . 1 1 34 34 LYS HD2 H 1 1.004 0.000 . 1 . . . . 34 LYS HD2 . 7123 1
216 . 1 1 34 34 LYS HD3 H 1 1.004 0.000 . 1 . . . . 34 LYS HD3 . 7123 1
217 . 1 1 35 35 LEU H H 1 7.912 0.000 . 1 . . . . 35 LEU H . 7123 1
218 . 1 1 35 35 LEU HA H 1 4.507 0.000 . 1 . . . . 35 LEU HA . 7123 1
219 . 1 1 35 35 LEU HB2 H 1 1.773 0.000 . 2 . . . . 35 LEU HB2 . 7123 1
220 . 1 1 35 35 LEU HB3 H 1 1.554 0.000 . 2 . . . . 35 LEU HB3 . 7123 1
221 . 1 1 35 35 LEU HG H 1 1.256 0.000 . 1 . . . . 35 LEU HG . 7123 1
222 . 1 1 35 35 LEU HD11 H 1 0.910 0.000 . 2 . . . . 35 LEU HD1 . 7123 1
223 . 1 1 35 35 LEU HD12 H 1 0.910 0.000 . 2 . . . . 35 LEU HD1 . 7123 1
224 . 1 1 35 35 LEU HD13 H 1 0.910 0.000 . 2 . . . . 35 LEU HD1 . 7123 1
225 . 1 1 35 35 LEU HD21 H 1 0.792 0.000 . 2 . . . . 35 LEU HD2 . 7123 1
226 . 1 1 35 35 LEU HD22 H 1 0.792 0.000 . 2 . . . . 35 LEU HD2 . 7123 1
227 . 1 1 35 35 LEU HD23 H 1 0.792 0.000 . 2 . . . . 35 LEU HD2 . 7123 1
228 . 1 1 36 36 CYS H H 1 8.629 0.000 . 1 . . . . 36 CYS H . 7123 1
229 . 1 1 36 36 CYS HA H 1 4.892 0.000 . 1 . . . . 36 CYS HA . 7123 1
230 . 1 1 36 36 CYS HB2 H 1 2.840 0.000 . 2 . . . . 36 CYS HB2 . 7123 1
231 . 1 1 36 36 CYS HB3 H 1 2.695 0.000 . 2 . . . . 36 CYS HB3 . 7123 1
232 . 1 1 37 37 LEU H H 1 8.077 0.000 . 1 . . . . 37 LEU H . 7123 1
233 . 1 1 37 37 LEU HA H 1 4.946 0.000 . 1 . . . . 37 LEU HA . 7123 1
234 . 1 1 37 37 LEU HB2 H 1 1.460 0.000 . 1 . . . . 37 LEU HB2 . 7123 1
235 . 1 1 37 37 LEU HB3 H 1 1.460 0.000 . 1 . . . . 37 LEU HB3 . 7123 1
236 . 1 1 38 38 LYS H H 1 8.007 0.000 . 1 . . . . 38 LYS H . 7123 1
237 . 1 1 38 38 LYS HA H 1 3.456 0.000 . 1 . . . . 38 LYS HA . 7123 1
238 . 1 1 38 38 LYS HB2 H 1 1.138 0.000 . 2 . . . . 38 LYS HB2 . 7123 1
239 . 1 1 38 38 LYS HB3 H 1 1.066 0.000 . 2 . . . . 38 LYS HB3 . 7123 1
240 . 1 1 38 38 LYS HG2 H 1 0.713 0.000 . 2 . . . . 38 LYS HG2 . 7123 1
241 . 1 1 38 38 LYS HG3 H 1 0.212 0.000 . 2 . . . . 38 LYS HG3 . 7123 1
242 . 1 1 38 38 LYS HD2 H 1 0.306 0.000 . 1 . . . . 38 LYS HD2 . 7123 1
243 . 1 1 38 38 LYS HD3 H 1 0.306 0.000 . 1 . . . . 38 LYS HD3 . 7123 1
244 . 1 1 39 39 ILE H H 1 7.787 0.000 . 1 . . . . 39 ILE H . 7123 1
245 . 1 1 39 39 ILE HA H 1 4.014 0.000 . 1 . . . . 39 ILE HA . 7123 1
246 . 1 1 39 39 ILE HB H 1 1.735 0.000 . 1 . . . . 39 ILE HB . 7123 1
247 . 1 1 39 39 ILE HG12 H 1 0.717 0.000 . 1 . . . . 39 ILE HG12 . 7123 1
248 . 1 1 39 39 ILE HG13 H 1 0.717 0.000 . 1 . . . . 39 ILE HG13 . 7123 1
249 . 1 1 39 39 ILE HG21 H 1 0.955 0.000 . 1 . . . . 39 ILE HG2 . 7123 1
250 . 1 1 39 39 ILE HG22 H 1 0.955 0.000 . 1 . . . . 39 ILE HG2 . 7123 1
251 . 1 1 39 39 ILE HG23 H 1 0.955 0.000 . 1 . . . . 39 ILE HG2 . 7123 1
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