###################################
# 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_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 4990
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 DQF-COSY 1 $sample_1 . 4990 1
2 NOESY 1 $sample_1 . 4990 1
3 TOCSY 1 $sample_1 . 4990 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 3 3 GLY H H 1 8.42 0.03 . 1 . . . . . . . . . 4990 1
2 . 1 1 3 3 GLY HA2 H 1 3.84 0.03 . 1 . . . . . . . . . 4990 1
3 . 1 1 3 3 GLY HA3 H 1 3.84 0.03 . 1 . . . . . . . . . 4990 1
4 . 1 1 4 4 HIS H H 1 8.25 0.03 . 1 . . . . . . . . . 4990 1
5 . 1 1 4 4 HIS HA H 1 4.46 0.03 . 1 . . . . . . . . . 4990 1
6 . 1 1 4 4 HIS HB2 H 1 2.86 0.03 . 1 . . . . . . . . . 4990 1
7 . 1 1 4 4 HIS HB3 H 1 2.86 0.03 . 1 . . . . . . . . . 4990 1
8 . 1 1 4 4 HIS HD2 H 1 7.35 0.03 . 1 . . . . . . . . . 4990 1
9 . 1 1 4 4 HIS HE1 H 1 8.69 0.03 . 1 . . . . . . . . . 4990 1
10 . 1 1 5 5 PHE H H 1 8.40 0.03 . 1 . . . . . . . . . 4990 1
11 . 1 1 5 5 PHE HA H 1 5.43 0.03 . 1 . . . . . . . . . 4990 1
12 . 1 1 5 5 PHE HB2 H 1 2.85 0.03 . 1 . . . . . . . . . 4990 1
13 . 1 1 5 5 PHE HB3 H 1 3.02 0.03 . 1 . . . . . . . . . 4990 1
14 . 1 1 5 5 PHE HD1 H 1 7.03 0.03 . 1 . . . . . . . . . 4990 1
15 . 1 1 5 5 PHE HD2 H 1 7.03 0.03 . 1 . . . . . . . . . 4990 1
16 . 1 1 5 5 PHE HE1 H 1 7.16 0.03 . 1 . . . . . . . . . 4990 1
17 . 1 1 5 5 PHE HE2 H 1 7.16 0.03 . 1 . . . . . . . . . 4990 1
18 . 1 1 6 6 SER H H 1 9.24 0.03 . 1 . . . . . . . . . 4990 1
19 . 1 1 6 6 SER HA H 1 4.83 0.03 . 1 . . . . . . . . . 4990 1
20 . 1 1 6 6 SER HB2 H 1 3.76 0.03 . 1 . . . . . . . . . 4990 1
21 . 1 1 6 6 SER HB3 H 1 4.02 0.03 . 1 . . . . . . . . . 4990 1
22 . 1 1 7 7 ARG H H 1 8.43 0.03 . 1 . . . . . . . . . 4990 1
23 . 1 1 7 7 ARG HA H 1 4.34 0.03 . 1 . . . . . . . . . 4990 1
24 . 1 1 7 7 ARG HB2 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1
25 . 1 1 7 7 ARG HB3 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1
26 . 1 1 7 7 ARG HG2 H 1 1.59 0.03 . 1 . . . . . . . . . 4990 1
27 . 1 1 7 7 ARG HG3 H 1 1.59 0.03 . 1 . . . . . . . . . 4990 1
28 . 1 1 8 8 CYS H H 1 9.35 0.03 . 1 . . . . . . . . . 4990 1
29 . 1 1 8 8 CYS HA H 1 3.95 0.03 . 1 . . . . . . . . . 4990 1
30 . 1 1 8 8 CYS HB2 H 1 2.90 0.03 . 1 . . . . . . . . . 4990 1
31 . 1 1 8 8 CYS HB3 H 1 3.12 0.03 . 1 . . . . . . . . . 4990 1
32 . 1 1 9 9 PRO HA H 1 3.92 0.03 . 1 . . . . . . . . . 4990 1
33 . 1 1 9 9 PRO HB2 H 1 1.50 0.03 . 1 . . . . . . . . . 4990 1
34 . 1 1 9 9 PRO HB3 H 1 1.82 0.03 . 1 . . . . . . . . . 4990 1
35 . 1 1 9 9 PRO HG2 H 1 1.00 0.03 . 1 . . . . . . . . . 4990 1
36 . 1 1 9 9 PRO HG3 H 1 1.00 0.03 . 1 . . . . . . . . . 4990 1
37 . 1 1 9 9 PRO HD2 H 1 2.83 0.03 . 1 . . . . . . . . . 4990 1
38 . 1 1 9 9 PRO HD3 H 1 2.83 0.03 . 1 . . . . . . . . . 4990 1
39 . 1 1 10 10 LYS H H 1 8.52 0.03 . 1 . . . . . . . . . 4990 1
40 . 1 1 10 10 LYS HA H 1 3.98 0.03 . 1 . . . . . . . . . 4990 1
41 . 1 1 10 10 LYS HB2 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1
42 . 1 1 10 10 LYS HB3 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1
43 . 1 1 11 11 GLN H H 1 9.11 0.03 . 1 . . . . . . . . . 4990 1
44 . 1 1 11 11 GLN HA H 1 4.00 0.03 . 1 . . . . . . . . . 4990 1
45 . 1 1 11 11 GLN HB2 H 1 1.45 0.03 . 1 . . . . . . . . . 4990 1
46 . 1 1 11 11 GLN HB3 H 1 1.45 0.03 . 1 . . . . . . . . . 4990 1
47 . 1 1 11 11 GLN HG2 H 1 1.67 0.03 . 1 . . . . . . . . . 4990 1
48 . 1 1 11 11 GLN HG3 H 1 1.67 0.03 . 1 . . . . . . . . . 4990 1
49 . 1 1 12 12 TYR H H 1 7.90 0.03 . 1 . . . . . . . . . 4990 1
50 . 1 1 12 12 TYR HA H 1 4.79 0.03 . 1 . . . . . . . . . 4990 1
51 . 1 1 12 12 TYR HB2 H 1 2.31 0.03 . 1 . . . . . . . . . 4990 1
52 . 1 1 12 12 TYR HB3 H 1 3.49 0.03 . 1 . . . . . . . . . 4990 1
53 . 1 1 12 12 TYR HD1 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1
54 . 1 1 12 12 TYR HD2 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1
55 . 1 1 12 12 TYR HE1 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1
56 . 1 1 12 12 TYR HE2 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1
57 . 1 1 13 13 LYS H H 1 7.37 0.03 . 1 . . . . . . . . . 4990 1
58 . 1 1 13 13 LYS HA H 1 3.89 0.03 . 1 . . . . . . . . . 4990 1
59 . 1 1 13 13 LYS HB2 H 1 1.81 0.03 . 1 . . . . . . . . . 4990 1
60 . 1 1 13 13 LYS HB3 H 1 1.81 0.03 . 1 . . . . . . . . . 4990 1
61 . 1 1 13 13 LYS HG2 H 1 0.94 0.03 . 1 . . . . . . . . . 4990 1
62 . 1 1 13 13 LYS HG3 H 1 0.94 0.03 . 1 . . . . . . . . . 4990 1
63 . 1 1 13 13 LYS HD2 H 1 1.43 0.03 . 1 . . . . . . . . . 4990 1
64 . 1 1 13 13 LYS HD3 H 1 1.43 0.03 . 1 . . . . . . . . . 4990 1
65 . 1 1 14 14 HIS H H 1 8.75 0.03 . 1 . . . . . . . . . 4990 1
66 . 1 1 14 14 HIS HA H 1 4.97 0.03 . 1 . . . . . . . . . 4990 1
67 . 1 1 14 14 HIS HB2 H 1 2.87 0.03 . 1 . . . . . . . . . 4990 1
68 . 1 1 14 14 HIS HB3 H 1 3.46 0.03 . 1 . . . . . . . . . 4990 1
69 . 1 1 14 14 HIS HD2 H 1 6.78 0.03 . 1 . . . . . . . . . 4990 1
70 . 1 1 14 14 HIS HE1 H 1 8.58 0.03 . 1 . . . . . . . . . 4990 1
71 . 1 1 15 15 TYR H H 1 7.68 0.03 . 1 . . . . . . . . . 4990 1
72 . 1 1 15 15 TYR HA H 1 4.10 0.03 . 1 . . . . . . . . . 4990 1
73 . 1 1 15 15 TYR HB2 H 1 2.90 0.03 . 1 . . . . . . . . . 4990 1
74 . 1 1 15 15 TYR HB3 H 1 3.27 0.03 . 1 . . . . . . . . . 4990 1
75 . 1 1 15 15 TYR HD1 H 1 7.07 0.03 . 1 . . . . . . . . . 4990 1
76 . 1 1 15 15 TYR HD2 H 1 7.07 0.03 . 1 . . . . . . . . . 4990 1
77 . 1 1 15 15 TYR HE1 H 1 7.43 0.03 . 1 . . . . . . . . . 4990 1
78 . 1 1 15 15 TYR HE2 H 1 7.43 0.03 . 1 . . . . . . . . . 4990 1
79 . 1 1 16 16 CYS H H 1 8.81 0.03 . 1 . . . . . . . . . 4990 1
80 . 1 1 16 16 CYS HA H 1 4.26 0.03 . 1 . . . . . . . . . 4990 1
81 . 1 1 16 16 CYS HB2 H 1 1.90 0.03 . 1 . . . . . . . . . 4990 1
82 . 1 1 16 16 CYS HB3 H 1 2.46 0.03 . 1 . . . . . . . . . 4990 1
83 . 1 1 17 17 ILE H H 1 8.51 0.03 . 1 . . . . . . . . . 4990 1
84 . 1 1 17 17 ILE HA H 1 3.84 0.03 . 1 . . . . . . . . . 4990 1
85 . 1 1 17 17 ILE HB H 1 1.64 0.03 . 1 . . . . . . . . . 4990 1
86 . 1 1 17 17 ILE HG21 H 1 0.77 0.03 . 1 . . . . . . . . . 4990 1
87 . 1 1 17 17 ILE HG22 H 1 0.77 0.03 . 1 . . . . . . . . . 4990 1
88 . 1 1 17 17 ILE HG23 H 1 0.77 0.03 . 1 . . . . . . . . . 4990 1
89 . 1 1 17 17 ILE HD11 H 1 0.58 0.03 . 1 . . . . . . . . . 4990 1
90 . 1 1 17 17 ILE HD12 H 1 0.58 0.03 . 1 . . . . . . . . . 4990 1
91 . 1 1 17 17 ILE HD13 H 1 0.58 0.03 . 1 . . . . . . . . . 4990 1
92 . 1 1 18 18 LYS H H 1 6.82 0.03 . 1 . . . . . . . . . 4990 1
93 . 1 1 18 18 LYS HA H 1 4.32 0.03 . 1 . . . . . . . . . 4990 1
94 . 1 1 18 18 LYS HB2 H 1 1.62 0.03 . 1 . . . . . . . . . 4990 1
95 . 1 1 18 18 LYS HB3 H 1 1.62 0.03 . 1 . . . . . . . . . 4990 1
96 . 1 1 18 18 LYS HG2 H 1 0.82 0.03 . 1 . . . . . . . . . 4990 1
97 . 1 1 18 18 LYS HG3 H 1 0.82 0.03 . 1 . . . . . . . . . 4990 1
98 . 1 1 18 18 LYS HD2 H 1 1.23 0.03 . 1 . . . . . . . . . 4990 1
99 . 1 1 18 18 LYS HD3 H 1 1.23 0.03 . 1 . . . . . . . . . 4990 1
100 . 1 1 19 19 GLY H H 1 6.92 0.03 . 1 . . . . . . . . . 4990 1
101 . 1 1 19 19 GLY HA2 H 1 3.91 0.03 . 1 . . . . . . . . . 4990 1
102 . 1 1 19 19 GLY HA3 H 1 4.11 0.03 . 1 . . . . . . . . . 4990 1
103 . 1 1 20 20 ARG H H 1 8.28 0.03 . 1 . . . . . . . . . 4990 1
104 . 1 1 20 20 ARG HA H 1 4.54 0.03 . 1 . . . . . . . . . 4990 1
105 . 1 1 20 20 ARG HB2 H 1 1.65 0.03 . 1 . . . . . . . . . 4990 1
106 . 1 1 20 20 ARG HB3 H 1 1.65 0.03 . 1 . . . . . . . . . 4990 1
107 . 1 1 20 20 ARG HG2 H 1 1.54 0.03 . 1 . . . . . . . . . 4990 1
108 . 1 1 20 20 ARG HG3 H 1 1.54 0.03 . 1 . . . . . . . . . 4990 1
109 . 1 1 20 20 ARG HD2 H 1 3.08 0.03 . 1 . . . . . . . . . 4990 1
110 . 1 1 20 20 ARG HD3 H 1 3.08 0.03 . 1 . . . . . . . . . 4990 1
111 . 1 1 21 21 CYS H H 1 8.92 0.03 . 1 . . . . . . . . . 4990 1
112 . 1 1 21 21 CYS HA H 1 5.18 0.03 . 1 . . . . . . . . . 4990 1
113 . 1 1 21 21 CYS HB2 H 1 3.18 0.03 . 1 . . . . . . . . . 4990 1
114 . 1 1 21 21 CYS HB3 H 1 3.38 0.03 . 1 . . . . . . . . . 4990 1
115 . 1 1 22 22 ARG H H 1 9.43 0.03 . 1 . . . . . . . . . 4990 1
116 . 1 1 22 22 ARG HA H 1 4.65 0.03 . 1 . . . . . . . . . 4990 1
117 . 1 1 22 22 ARG HB2 H 1 1.40 0.03 . 1 . . . . . . . . . 4990 1
118 . 1 1 22 22 ARG HB3 H 1 1.40 0.03 . 1 . . . . . . . . . 4990 1
119 . 1 1 22 22 ARG HG2 H 1 1.21 0.03 . 1 . . . . . . . . . 4990 1
120 . 1 1 22 22 ARG HG3 H 1 1.21 0.03 . 1 . . . . . . . . . 4990 1
121 . 1 1 23 23 PHE H H 1 9.05 0.03 . 1 . . . . . . . . . 4990 1
122 . 1 1 23 23 PHE HA H 1 4.86 0.03 . 1 . . . . . . . . . 4990 1
123 . 1 1 23 23 PHE HB2 H 1 2.49 0.03 . 1 . . . . . . . . . 4990 1
124 . 1 1 23 23 PHE HB3 H 1 2.83 0.03 . 1 . . . . . . . . . 4990 1
125 . 1 1 23 23 PHE HD1 H 1 6.69 0.03 . 1 . . . . . . . . . 4990 1
126 . 1 1 23 23 PHE HD2 H 1 6.69 0.03 . 1 . . . . . . . . . 4990 1
127 . 1 1 23 23 PHE HE1 H 1 7.02 0.03 . 1 . . . . . . . . . 4990 1
128 . 1 1 23 23 PHE HE2 H 1 7.02 0.03 . 1 . . . . . . . . . 4990 1
129 . 1 1 24 24 VAL H H 1 8.04 0.03 . 1 . . . . . . . . . 4990 1
130 . 1 1 24 24 VAL HA H 1 4.00 0.03 . 1 . . . . . . . . . 4990 1
131 . 1 1 24 24 VAL HB H 1 1.91 0.03 . 1 . . . . . . . . . 4990 1
132 . 1 1 24 24 VAL HG11 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1
133 . 1 1 24 24 VAL HG12 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1
134 . 1 1 24 24 VAL HG13 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1
135 . 1 1 24 24 VAL HG21 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1
136 . 1 1 24 24 VAL HG22 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1
137 . 1 1 24 24 VAL HG23 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1
138 . 1 1 25 25 VAL H H 1 8.00 0.03 . 1 . . . . . . . . . 4990 1
139 . 1 1 25 25 VAL HA H 1 3.16 0.03 . 1 . . . . . . . . . 4990 1
140 . 1 1 25 25 VAL HB H 1 1.81 0.03 . 1 . . . . . . . . . 4990 1
141 . 1 1 25 25 VAL HG11 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1
142 . 1 1 25 25 VAL HG12 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1
143 . 1 1 25 25 VAL HG13 H 1 0.81 0.03 . 1 . . . . . . . . . 4990 1
144 . 1 1 25 25 VAL HG21 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1
145 . 1 1 25 25 VAL HG22 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1
146 . 1 1 25 25 VAL HG23 H 1 0.69 0.03 . 1 . . . . . . . . . 4990 1
147 . 1 1 26 26 ALA H H 1 8.97 0.03 . 1 . . . . . . . . . 4990 1
148 . 1 1 26 26 ALA HA H 1 3.98 0.03 . 1 . . . . . . . . . 4990 1
149 . 1 1 26 26 ALA HB1 H 1 1.25 0.03 . 1 . . . . . . . . . 4990 1
150 . 1 1 26 26 ALA HB2 H 1 1.25 0.03 . 1 . . . . . . . . . 4990 1
151 . 1 1 26 26 ALA HB3 H 1 1.25 0.03 . 1 . . . . . . . . . 4990 1
152 . 1 1 27 27 GLU H H 1 6.34 0.03 . 1 . . . . . . . . . 4990 1
153 . 1 1 27 27 GLU HA H 1 4.31 0.03 . 1 . . . . . . . . . 4990 1
154 . 1 1 27 27 GLU HB2 H 1 1.44 0.03 . 1 . . . . . . . . . 4990 1
155 . 1 1 27 27 GLU HB3 H 1 1.44 0.03 . 1 . . . . . . . . . 4990 1
156 . 1 1 27 27 GLU HG2 H 1 2.15 0.03 . 1 . . . . . . . . . 4990 1
157 . 1 1 27 27 GLU HG3 H 1 2.15 0.03 . 1 . . . . . . . . . 4990 1
158 . 1 1 28 28 GLN H H 1 7.83 0.03 . 1 . . . . . . . . . 4990 1
159 . 1 1 28 28 GLN HA H 1 3.09 0.03 . 1 . . . . . . . . . 4990 1
160 . 1 1 28 28 GLN HB2 H 1 1.24 0.03 . 1 . . . . . . . . . 4990 1
161 . 1 1 28 28 GLN HB3 H 1 1.24 0.03 . 1 . . . . . . . . . 4990 1
162 . 1 1 28 28 GLN HG2 H 1 2.19 0.03 . 1 . . . . . . . . . 4990 1
163 . 1 1 28 28 GLN HG3 H 1 2.19 0.03 . 1 . . . . . . . . . 4990 1
164 . 1 1 29 29 THR H H 1 6.45 0.03 . 1 . . . . . . . . . 4990 1
165 . 1 1 29 29 THR HA H 1 4.63 0.03 . 1 . . . . . . . . . 4990 1
166 . 1 1 29 29 THR HB H 1 3.67 0.03 . 1 . . . . . . . . . 4990 1
167 . 1 1 29 29 THR HG21 H 1 0.97 0.03 . 1 . . . . . . . . . 4990 1
168 . 1 1 29 29 THR HG22 H 1 0.97 0.03 . 1 . . . . . . . . . 4990 1
169 . 1 1 29 29 THR HG23 H 1 0.97 0.03 . 1 . . . . . . . . . 4990 1
170 . 1 1 30 30 PRO HA H 1 3.87 0.03 . 1 . . . . . . . . . 4990 1
171 . 1 1 30 30 PRO HB2 H 1 1.74 0.03 . 1 . . . . . . . . . 4990 1
172 . 1 1 30 30 PRO HB3 H 1 1.78 0.03 . 1 . . . . . . . . . 4990 1
173 . 1 1 30 30 PRO HG2 H 1 1.35 0.03 . 1 . . . . . . . . . 4990 1
174 . 1 1 30 30 PRO HG3 H 1 1.60 0.03 . 1 . . . . . . . . . 4990 1
175 . 1 1 30 30 PRO HD2 H 1 2.80 0.03 . 1 . . . . . . . . . 4990 1
176 . 1 1 30 30 PRO HD3 H 1 2.80 0.03 . 1 . . . . . . . . . 4990 1
177 . 1 1 31 31 SER H H 1 8.57 0.03 . 1 . . . . . . . . . 4990 1
178 . 1 1 31 31 SER HA H 1 4.79 0.03 . 1 . . . . . . . . . 4990 1
179 . 1 1 31 31 SER HB2 H 1 3.74 0.03 . 1 . . . . . . . . . 4990 1
180 . 1 1 31 31 SER HB3 H 1 3.74 0.03 . 1 . . . . . . . . . 4990 1
181 . 1 1 32 32 CYS H H 1 8.85 0.03 . 1 . . . . . . . . . 4990 1
182 . 1 1 32 32 CYS HA H 1 5.49 0.03 . 1 . . . . . . . . . 4990 1
183 . 1 1 32 32 CYS HB2 H 1 2.47 0.03 . 1 . . . . . . . . . 4990 1
184 . 1 1 32 32 CYS HB3 H 1 2.66 0.03 . 1 . . . . . . . . . 4990 1
185 . 1 1 33 33 VAL H H 1 9.01 0.03 . 1 . . . . . . . . . 4990 1
186 . 1 1 33 33 VAL HA H 1 4.13 0.03 . 1 . . . . . . . . . 4990 1
187 . 1 1 33 33 VAL HB H 1 1.80 0.03 . 1 . . . . . . . . . 4990 1
188 . 1 1 33 33 VAL HG11 H 1 0.79 0.03 . 1 . . . . . . . . . 4990 1
189 . 1 1 33 33 VAL HG12 H 1 0.79 0.03 . 1 . . . . . . . . . 4990 1
190 . 1 1 33 33 VAL HG13 H 1 0.79 0.03 . 1 . . . . . . . . . 4990 1
191 . 1 1 33 33 VAL HG21 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1
192 . 1 1 33 33 VAL HG22 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1
193 . 1 1 33 33 VAL HG23 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1
194 . 1 1 34 34 CYS H H 1 9.02 0.03 . 1 . . . . . . . . . 4990 1
195 . 1 1 34 34 CYS HA H 1 4.95 0.03 . 1 . . . . . . . . . 4990 1
196 . 1 1 34 34 CYS HB2 H 1 2.60 0.03 . 1 . . . . . . . . . 4990 1
197 . 1 1 34 34 CYS HB3 H 1 3.25 0.03 . 1 . . . . . . . . . 4990 1
198 . 1 1 35 35 ASP H H 1 8.76 0.03 . 1 . . . . . . . . . 4990 1
199 . 1 1 35 35 ASP HA H 1 4.44 0.03 . 1 . . . . . . . . . 4990 1
200 . 1 1 35 35 ASP HB2 H 1 2.33 0.03 . 1 . . . . . . . . . 4990 1
201 . 1 1 35 35 ASP HB3 H 1 2.86 0.03 . 1 . . . . . . . . . 4990 1
202 . 1 1 36 36 GLU H H 1 8.47 0.03 . 1 . . . . . . . . . 4990 1
203 . 1 1 36 36 GLU HA H 1 4.80 0.03 . 1 . . . . . . . . . 4990 1
204 . 1 1 36 36 GLU HB2 H 1 1.51 0.03 . 1 . . . . . . . . . 4990 1
205 . 1 1 36 36 GLU HB3 H 1 1.51 0.03 . 1 . . . . . . . . . 4990 1
206 . 1 1 36 36 GLU HG2 H 1 1.63 0.03 . 1 . . . . . . . . . 4990 1
207 . 1 1 36 36 GLU HG3 H 1 1.63 0.03 . 1 . . . . . . . . . 4990 1
208 . 1 1 37 37 GLY H H 1 8.51 0.03 . 1 . . . . . . . . . 4990 1
209 . 1 1 37 37 GLY HA2 H 1 3.28 0.03 . 1 . . . . . . . . . 4990 1
210 . 1 1 37 37 GLY HA3 H 1 3.28 0.03 . 1 . . . . . . . . . 4990 1
211 . 1 1 38 38 TYR H H 1 7.89 0.03 . 1 . . . . . . . . . 4990 1
212 . 1 1 38 38 TYR HA H 1 5.12 0.03 . 1 . . . . . . . . . 4990 1
213 . 1 1 38 38 TYR HB2 H 1 2.59 0.03 . 1 . . . . . . . . . 4990 1
214 . 1 1 38 38 TYR HB3 H 1 2.74 0.03 . 1 . . . . . . . . . 4990 1
215 . 1 1 38 38 TYR HD1 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1
216 . 1 1 38 38 TYR HD2 H 1 6.64 0.03 . 1 . . . . . . . . . 4990 1
217 . 1 1 38 38 TYR HE1 H 1 6.59 0.03 . 1 . . . . . . . . . 4990 1
218 . 1 1 38 38 TYR HE2 H 1 6.59 0.03 . 1 . . . . . . . . . 4990 1
219 . 1 1 39 39 ILE H H 1 9.11 0.03 . 1 . . . . . . . . . 4990 1
220 . 1 1 39 39 ILE HA H 1 4.67 0.03 . 1 . . . . . . . . . 4990 1
221 . 1 1 39 39 ILE HB H 1 1.76 0.03 . 1 . . . . . . . . . 4990 1
222 . 1 1 39 39 ILE HG12 H 1 1.18 0.03 . 1 . . . . . . . . . 4990 1
223 . 1 1 39 39 ILE HG13 H 1 1.18 0.03 . 1 . . . . . . . . . 4990 1
224 . 1 1 39 39 ILE HD11 H 1 0.70 0.03 . 1 . . . . . . . . . 4990 1
225 . 1 1 39 39 ILE HD12 H 1 0.70 0.03 . 1 . . . . . . . . . 4990 1
226 . 1 1 39 39 ILE HD13 H 1 0.70 0.03 . 1 . . . . . . . . . 4990 1
227 . 1 1 39 39 ILE HG21 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1
228 . 1 1 39 39 ILE HG22 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1
229 . 1 1 39 39 ILE HG23 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1
230 . 1 1 40 40 GLY H H 1 7.73 0.03 . 1 . . . . . . . . . 4990 1
231 . 1 1 40 40 GLY HA2 H 1 3.69 0.03 . 1 . . . . . . . . . 4990 1
232 . 1 1 40 40 GLY HA3 H 1 4.89 0.03 . 1 . . . . . . . . . 4990 1
233 . 1 1 41 41 ALA H H 1 9.05 0.03 . 1 . . . . . . . . . 4990 1
234 . 1 1 41 41 ALA HA H 1 4.02 0.03 . 1 . . . . . . . . . 4990 1
235 . 1 1 41 41 ALA HB1 H 1 1.43 0.03 . 1 . . . . . . . . . 4990 1
236 . 1 1 41 41 ALA HB2 H 1 1.43 0.03 . 1 . . . . . . . . . 4990 1
237 . 1 1 41 41 ALA HB3 H 1 1.43 0.03 . 1 . . . . . . . . . 4990 1
238 . 1 1 42 42 ARG H H 1 8.17 0.03 . 1 . . . . . . . . . 4990 1
239 . 1 1 42 42 ARG HA H 1 4.49 0.03 . 1 . . . . . . . . . 4990 1
240 . 1 1 42 42 ARG HB2 H 1 1.18 0.03 . 1 . . . . . . . . . 4990 1
241 . 1 1 42 42 ARG HB3 H 1 1.12 0.03 . 1 . . . . . . . . . 4990 1
242 . 1 1 42 42 ARG HG2 H 1 0.35 0.03 . 1 . . . . . . . . . 4990 1
243 . 1 1 42 42 ARG HG3 H 1 0.35 0.03 . 1 . . . . . . . . . 4990 1
244 . 1 1 43 43 CYS H H 1 7.91 0.03 . 1 . . . . . . . . . 4990 1
245 . 1 1 43 43 CYS HA H 1 3.80 0.03 . 1 . . . . . . . . . 4990 1
246 . 1 1 43 43 CYS HB2 H 1 2.37 0.03 . 1 . . . . . . . . . 4990 1
247 . 1 1 43 43 CYS HB3 H 1 2.77 0.03 . 1 . . . . . . . . . 4990 1
248 . 1 1 44 44 GLU H H 1 9.42 0.03 . 1 . . . . . . . . . 4990 1
249 . 1 1 44 44 GLU HA H 1 4.36 0.03 . 1 . . . . . . . . . 4990 1
250 . 1 1 44 44 GLU HB2 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1
251 . 1 1 44 44 GLU HB3 H 1 1.68 0.03 . 1 . . . . . . . . . 4990 1
252 . 1 1 44 44 GLU HG2 H 1 2.14 0.03 . 1 . . . . . . . . . 4990 1
253 . 1 1 44 44 GLU HG3 H 1 2.14 0.03 . 1 . . . . . . . . . 4990 1
254 . 1 1 45 45 ARG H H 1 8.47 0.03 . 1 . . . . . . . . . 4990 1
255 . 1 1 45 45 ARG HA H 1 4.77 0.03 . 1 . . . . . . . . . 4990 1
256 . 1 1 45 45 ARG HB2 H 1 1.57 0.03 . 1 . . . . . . . . . 4990 1
257 . 1 1 45 45 ARG HB3 H 1 1.57 0.03 . 1 . . . . . . . . . 4990 1
258 . 1 1 45 45 ARG HG2 H 1 1.49 0.03 . 1 . . . . . . . . . 4990 1
259 . 1 1 45 45 ARG HG3 H 1 1.49 0.03 . 1 . . . . . . . . . 4990 1
260 . 1 1 46 46 VAL H H 1 8.22 0.03 . 1 . . . . . . . . . 4990 1
261 . 1 1 46 46 VAL HA H 1 3.71 0.03 . 1 . . . . . . . . . 4990 1
262 . 1 1 46 46 VAL HB H 1 1.73 0.03 . 1 . . . . . . . . . 4990 1
263 . 1 1 46 46 VAL HG11 H 1 0.75 0.03 . 1 . . . . . . . . . 4990 1
264 . 1 1 46 46 VAL HG12 H 1 0.75 0.03 . 1 . . . . . . . . . 4990 1
265 . 1 1 46 46 VAL HG13 H 1 0.75 0.03 . 1 . . . . . . . . . 4990 1
266 . 1 1 46 46 VAL HG21 H 1 0.64 0.03 . 1 . . . . . . . . . 4990 1
267 . 1 1 46 46 VAL HG22 H 1 0.64 0.03 . 1 . . . . . . . . . 4990 1
268 . 1 1 46 46 VAL HG23 H 1 0.64 0.03 . 1 . . . . . . . . . 4990 1
269 . 1 1 47 47 ASP H H 1 8.08 0.03 . 1 . . . . . . . . . 4990 1
270 . 1 1 47 47 ASP HA H 1 4.36 0.03 . 1 . . . . . . . . . 4990 1
271 . 1 1 47 47 ASP HB2 H 1 2.12 0.03 . 1 . . . . . . . . . 4990 1
272 . 1 1 47 47 ASP HB3 H 1 2.49 0.03 . 1 . . . . . . . . . 4990 1
273 . 1 1 48 48 LEU H H 1 7.89 0.03 . 1 . . . . . . . . . 4990 1
274 . 1 1 48 48 LEU HA H 1 4.03 0.03 . 1 . . . . . . . . . 4990 1
275 . 1 1 48 48 LEU HB2 H 1 1.31 0.03 . 1 . . . . . . . . . 4990 1
276 . 1 1 48 48 LEU HB3 H 1 1.31 0.03 . 1 . . . . . . . . . 4990 1
277 . 1 1 48 48 LEU HG H 1 1.20 0.03 . 1 . . . . . . . . . 4990 1
278 . 1 1 48 48 LEU HD11 H 1 0.66 0.03 . 1 . . . . . . . . . 4990 1
279 . 1 1 48 48 LEU HD12 H 1 0.66 0.03 . 1 . . . . . . . . . 4990 1
280 . 1 1 48 48 LEU HD13 H 1 0.66 0.03 . 1 . . . . . . . . . 4990 1
281 . 1 1 48 48 LEU HD21 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1
282 . 1 1 48 48 LEU HD22 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1
283 . 1 1 48 48 LEU HD23 H 1 0.67 0.03 . 1 . . . . . . . . . 4990 1
284 . 1 1 49 49 PHE H H 1 7.85 0.03 . 1 . . . . . . . . . 4990 1
285 . 1 1 49 49 PHE HA H 1 4.41 0.03 . 1 . . . . . . . . . 4990 1
286 . 1 1 49 49 PHE HB2 H 1 2.81 0.03 . 1 . . . . . . . . . 4990 1
287 . 1 1 49 49 PHE HB3 H 1 3.02 0.03 . 1 . . . . . . . . . 4990 1
288 . 1 1 50 50 TYR H H 1 7.48 0.03 . 1 . . . . . . . . . 4990 1
289 . 1 1 50 50 TYR HA H 1 4.25 0.03 . 1 . . . . . . . . . 4990 1
290 . 1 1 50 50 TYR HB2 H 1 2.79 0.03 . 1 . . . . . . . . . 4990 1
291 . 1 1 50 50 TYR HB3 H 1 2.90 0.03 . 1 . . . . . . . . . 4990 1
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