###################################
# 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_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Entry_ID 699
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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_one . 699 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 ALA HA H 1 4.13 . . 1 . . . . . . . . 699 1
2 . 1 1 1 1 ALA HB1 H 1 1.58 . . 1 . . . . . . . . 699 1
3 . 1 1 1 1 ALA HB2 H 1 1.58 . . 1 . . . . . . . . 699 1
4 . 1 1 1 1 ALA HB3 H 1 1.58 . . 1 . . . . . . . . 699 1
5 . 1 1 2 2 LYS H H 1 8.78 . . 1 . . . . . . . . 699 1
6 . 1 1 2 2 LYS HA H 1 4.52 . . 1 . . . . . . . . 699 1
7 . 1 1 2 2 LYS HB2 H 1 1.97 . . 1 . . . . . . . . 699 1
8 . 1 1 2 2 LYS HB3 H 1 1.97 . . 1 . . . . . . . . 699 1
9 . 1 1 3 3 THR H H 1 8.35 . . 1 . . . . . . . . 699 1
10 . 1 1 3 3 THR HA H 1 4.98 . . 1 . . . . . . . . 699 1
11 . 1 1 3 3 THR HB H 1 4.08 . . 1 . . . . . . . . 699 1
12 . 1 1 3 3 THR HG21 H 1 1.06 . . 1 . . . . . . . . 699 1
13 . 1 1 3 3 THR HG22 H 1 1.06 . . 1 . . . . . . . . 699 1
14 . 1 1 3 3 THR HG23 H 1 1.06 . . 1 . . . . . . . . 699 1
15 . 1 1 4 4 ILE H H 1 9.2 . . 1 . . . . . . . . 699 1
16 . 1 1 4 4 ILE HA H 1 4.73 . . 1 . . . . . . . . 699 1
17 . 1 1 4 4 ILE HB H 1 1.72 . . 1 . . . . . . . . 699 1
18 . 1 1 4 4 ILE HG21 H 1 .86 . . 1 . . . . . . . . 699 1
19 . 1 1 4 4 ILE HG22 H 1 .86 . . 1 . . . . . . . . 699 1
20 . 1 1 4 4 ILE HG23 H 1 .86 . . 1 . . . . . . . . 699 1
21 . 1 1 5 5 LYS H H 1 8.4 . . 1 . . . . . . . . 699 1
22 . 1 1 5 5 LYS HA H 1 5.25 . . 1 . . . . . . . . 699 1
23 . 1 1 5 5 LYS HB2 H 1 1.72 . . 2 . . . . . . . . 699 1
24 . 1 1 5 5 LYS HB3 H 1 1.56 . . 2 . . . . . . . . 699 1
25 . 1 1 6 6 ILE H H 1 9.23 . . 1 . . . . . . . . 699 1
26 . 1 1 6 6 ILE HA H 1 4.87 . . 1 . . . . . . . . 699 1
27 . 1 1 6 6 ILE HB H 1 1.63 . . 1 . . . . . . . . 699 1
28 . 1 1 6 6 ILE HG21 H 1 .77 . . 1 . . . . . . . . 699 1
29 . 1 1 6 6 ILE HG22 H 1 .77 . . 1 . . . . . . . . 699 1
30 . 1 1 6 6 ILE HG23 H 1 .77 . . 1 . . . . . . . . 699 1
31 . 1 1 7 7 THR H H 1 9 . . 1 . . . . . . . . 699 1
32 . 1 1 7 7 THR HA H 1 5.7 . . 1 . . . . . . . . 699 1
33 . 1 1 7 7 THR HB H 1 3.68 . . 1 . . . . . . . . 699 1
34 . 1 1 7 7 THR HG21 H 1 .96 . . 1 . . . . . . . . 699 1
35 . 1 1 7 7 THR HG22 H 1 .96 . . 1 . . . . . . . . 699 1
36 . 1 1 7 7 THR HG23 H 1 .96 . . 1 . . . . . . . . 699 1
37 . 1 1 8 8 GLN H H 1 8.35 . . 1 . . . . . . . . 699 1
38 . 1 1 8 8 GLN HA H 1 4.78 . . 1 . . . . . . . . 699 1
39 . 1 1 8 8 GLN HB2 H 1 2.4 . . 2 . . . . . . . . 699 1
40 . 1 1 8 8 GLN HB3 H 1 .86 . . 2 . . . . . . . . 699 1
41 . 1 1 8 8 GLN HG2 H 1 1.73 . . 2 . . . . . . . . 699 1
42 . 1 1 8 8 GLN HG3 H 1 1.37 . . 2 . . . . . . . . 699 1
43 . 1 1 8 8 GLN HE21 H 1 7.65 . . 2 . . . . . . . . 699 1
44 . 1 1 8 8 GLN HE22 H 1 6.12 . . 2 . . . . . . . . 699 1
45 . 1 1 9 9 THR H H 1 9.1 . . 1 . . . . . . . . 699 1
46 . 1 1 9 9 THR HA H 1 4.52 . . 1 . . . . . . . . 699 1
47 . 1 1 9 9 THR HB H 1 4.26 . . 1 . . . . . . . . 699 1
48 . 1 1 9 9 THR HG21 H 1 1.05 . . 1 . . . . . . . . 699 1
49 . 1 1 9 9 THR HG22 H 1 1.05 . . 1 . . . . . . . . 699 1
50 . 1 1 9 9 THR HG23 H 1 1.05 . . 1 . . . . . . . . 699 1
51 . 1 1 11 11 SER H H 1 8.9 . . 1 . . . . . . . . 699 1
52 . 1 1 11 11 SER HB2 H 1 4.08 . . 2 . . . . . . . . 699 1
53 . 1 1 11 11 SER HB3 H 1 3.88 . . 2 . . . . . . . . 699 1
54 . 1 1 12 12 ALA H H 1 9.08 . . 1 . . . . . . . . 699 1
55 . 1 1 12 12 ALA HA H 1 4.31 . . 1 . . . . . . . . 699 1
56 . 1 1 12 12 ALA HB1 H 1 1.4 . . 1 . . . . . . . . 699 1
57 . 1 1 12 12 ALA HB2 H 1 1.4 . . 1 . . . . . . . . 699 1
58 . 1 1 12 12 ALA HB3 H 1 1.4 . . 1 . . . . . . . . 699 1
59 . 1 1 13 13 ILE H H 1 8.07 . . 1 . . . . . . . . 699 1
60 . 1 1 13 13 ILE HA H 1 3.9 . . 1 . . . . . . . . 699 1
61 . 1 1 13 13 ILE HB H 1 1.85 . . 1 . . . . . . . . 699 1
62 . 1 1 13 13 ILE HG21 H 1 .93 . . 1 . . . . . . . . 699 1
63 . 1 1 13 13 ILE HG22 H 1 .93 . . 1 . . . . . . . . 699 1
64 . 1 1 13 13 ILE HG23 H 1 .93 . . 1 . . . . . . . . 699 1
65 . 1 1 14 14 GLY HA2 H 1 4.03 . . 2 . . . . . . . . 699 1
66 . 1 1 14 14 GLY HA3 H 1 3.73 . . 2 . . . . . . . . 699 1
67 . 1 1 15 15 ARG H H 1 7.63 . . 1 . . . . . . . . 699 1
68 . 1 1 15 15 ARG HA H 1 4.7 . . 1 . . . . . . . . 699 1
69 . 1 1 15 15 ARG HB2 H 1 2.02 . . 1 . . . . . . . . 699 1
70 . 1 1 15 15 ARG HB3 H 1 2.02 . . 1 . . . . . . . . 699 1
71 . 1 1 16 16 LEU H H 1 9.02 . . 1 . . . . . . . . 699 1
72 . 1 1 16 16 LEU HA H 1 4.56 . . 1 . . . . . . . . 699 1
73 . 1 1 16 16 LEU HB2 H 1 1.35 . . 1 . . . . . . . . 699 1
74 . 1 1 16 16 LEU HB3 H 1 1.35 . . 1 . . . . . . . . 699 1
75 . 1 1 19 19 HIS H H 1 7.44 . . 1 . . . . . . . . 699 1
76 . 1 1 19 19 HIS HA H 1 4.49 . . 1 . . . . . . . . 699 1
77 . 1 1 19 19 HIS HB2 H 1 3.57 . . 2 . . . . . . . . 699 1
78 . 1 1 19 19 HIS HB3 H 1 3.11 . . 2 . . . . . . . . 699 1
79 . 1 1 19 19 HIS HD2 H 1 7.14 . . 1 . . . . . . . . 699 1
80 . 1 1 19 19 HIS HE1 H 1 7.96 . . 1 . . . . . . . . 699 1
81 . 1 1 20 20 LYS H H 1 7.85 . . 1 . . . . . . . . 699 1
82 . 1 1 20 20 LYS HA H 1 3.98 . . 1 . . . . . . . . 699 1
83 . 1 1 20 20 LYS HB2 H 1 1.95 . . 1 . . . . . . . . 699 1
84 . 1 1 20 20 LYS HB3 H 1 1.95 . . 1 . . . . . . . . 699 1
85 . 1 1 21 21 ALA H H 1 8.35 . . 1 . . . . . . . . 699 1
86 . 1 1 21 21 ALA HA H 1 4.15 . . 1 . . . . . . . . 699 1
87 . 1 1 21 21 ALA HB1 H 1 1.5 . . 1 . . . . . . . . 699 1
88 . 1 1 21 21 ALA HB2 H 1 1.5 . . 1 . . . . . . . . 699 1
89 . 1 1 21 21 ALA HB3 H 1 1.5 . . 1 . . . . . . . . 699 1
90 . 1 1 22 22 THR H H 1 7.9 . . 1 . . . . . . . . 699 1
91 . 1 1 22 22 THR HA H 1 3.95 . . 1 . . . . . . . . 699 1
92 . 1 1 22 22 THR HB H 1 4.31 . . 1 . . . . . . . . 699 1
93 . 1 1 22 22 THR HG21 H 1 1.3 . . 1 . . . . . . . . 699 1
94 . 1 1 22 22 THR HG22 H 1 1.3 . . 1 . . . . . . . . 699 1
95 . 1 1 22 22 THR HG23 H 1 1.3 . . 1 . . . . . . . . 699 1
96 . 1 1 23 23 LEU H H 1 7.97 . . 1 . . . . . . . . 699 1
97 . 1 1 23 23 LEU HA H 1 3.88 . . 1 . . . . . . . . 699 1
98 . 1 1 23 23 LEU HB2 H 1 1.99 . . 2 . . . . . . . . 699 1
99 . 1 1 23 23 LEU HB3 H 1 1.58 . . 2 . . . . . . . . 699 1
100 . 1 1 24 24 LEU H H 1 7.96 . . 1 . . . . . . . . 699 1
101 . 1 1 24 24 LEU HA H 1 4.23 . . 1 . . . . . . . . 699 1
102 . 1 1 24 24 LEU HB2 H 1 1.85 . . 2 . . . . . . . . 699 1
103 . 1 1 24 24 LEU HB3 H 1 1.65 . . 2 . . . . . . . . 699 1
104 . 1 1 25 25 GLY H H 1 8.3 . . 1 . . . . . . . . 699 1
105 . 1 1 25 25 GLY HA2 H 1 3.43 . . 1 . . . . . . . . 699 1
106 . 1 1 25 25 GLY HA3 H 1 3.43 . . 1 . . . . . . . . 699 1
107 . 1 1 26 26 LEU H H 1 7.88 . . 1 . . . . . . . . 699 1
108 . 1 1 26 26 LEU HA H 1 4.12 . . 1 . . . . . . . . 699 1
109 . 1 1 26 26 LEU HB2 H 1 2.18 . . 1 . . . . . . . . 699 1
110 . 1 1 26 26 LEU HB3 H 1 2.18 . . 1 . . . . . . . . 699 1
111 . 1 1 27 27 GLY H H 1 7.79 . . 1 . . . . . . . . 699 1
112 . 1 1 27 27 GLY HA2 H 1 4.27 . . 2 . . . . . . . . 699 1
113 . 1 1 27 27 GLY HA3 H 1 3.63 . . 2 . . . . . . . . 699 1
114 . 1 1 28 28 LEU H H 1 7.51 . . 1 . . . . . . . . 699 1
115 . 1 1 28 28 LEU HA H 1 4.7 . . 1 . . . . . . . . 699 1
116 . 1 1 28 28 LEU HB2 H 1 1.7 . . 1 . . . . . . . . 699 1
117 . 1 1 28 28 LEU HB3 H 1 1.7 . . 1 . . . . . . . . 699 1
118 . 1 1 29 29 ARG H H 1 11.05 . . 1 . . . . . . . . 699 1
119 . 1 1 29 29 ARG HA H 1 4.46 . . 1 . . . . . . . . 699 1
120 . 1 1 29 29 ARG HB2 H 1 2 . . 2 . . . . . . . . 699 1
121 . 1 1 29 29 ARG HB3 H 1 1.45 . . 2 . . . . . . . . 699 1
122 . 1 1 30 30 ARG H H 1 7.31 . . 1 . . . . . . . . 699 1
123 . 1 1 30 30 ARG HA H 1 4.63 . . 1 . . . . . . . . 699 1
124 . 1 1 30 30 ARG HB2 H 1 1.62 . . 1 . . . . . . . . 699 1
125 . 1 1 30 30 ARG HB3 H 1 1.62 . . 1 . . . . . . . . 699 1
126 . 1 1 31 31 ILE H H 1 8.45 . . 1 . . . . . . . . 699 1
127 . 1 1 31 31 ILE HA H 1 3.43 . . 1 . . . . . . . . 699 1
128 . 1 1 31 31 ILE HB H 1 1.58 . . 1 . . . . . . . . 699 1
129 . 1 1 31 31 ILE HG21 H 1 .87 . . 1 . . . . . . . . 699 1
130 . 1 1 31 31 ILE HG22 H 1 .87 . . 1 . . . . . . . . 699 1
131 . 1 1 31 31 ILE HG23 H 1 .87 . . 1 . . . . . . . . 699 1
132 . 1 1 32 32 GLY H H 1 9.15 . . 1 . . . . . . . . 699 1
133 . 1 1 32 32 GLY HA2 H 1 4.31 . . 2 . . . . . . . . 699 1
134 . 1 1 32 32 GLY HA3 H 1 3.58 . . 2 . . . . . . . . 699 1
135 . 1 1 33 33 HIS H H 1 8.02 . . 1 . . . . . . . . 699 1
136 . 1 1 33 33 HIS HA H 1 4.73 . . 1 . . . . . . . . 699 1
137 . 1 1 33 33 HIS HB2 H 1 3.52 . . 2 . . . . . . . . 699 1
138 . 1 1 33 33 HIS HB3 H 1 3.16 . . 2 . . . . . . . . 699 1
139 . 1 1 33 33 HIS HD2 H 1 7.24 . . 1 . . . . . . . . 699 1
140 . 1 1 33 33 HIS HE1 H 1 7.86 . . 1 . . . . . . . . 699 1
141 . 1 1 34 34 THR H H 1 8.12 . . 1 . . . . . . . . 699 1
142 . 1 1 34 34 THR HA H 1 5.42 . . 1 . . . . . . . . 699 1
143 . 1 1 34 34 THR HB H 1 3.7 . . 1 . . . . . . . . 699 1
144 . 1 1 34 34 THR HG21 H 1 1.05 . . 1 . . . . . . . . 699 1
145 . 1 1 34 34 THR HG22 H 1 1.05 . . 1 . . . . . . . . 699 1
146 . 1 1 34 34 THR HG23 H 1 1.05 . . 1 . . . . . . . . 699 1
147 . 1 1 35 35 VAL H H 1 8.94 . . 1 . . . . . . . . 699 1
148 . 1 1 35 35 VAL HA H 1 4.59 . . 1 . . . . . . . . 699 1
149 . 1 1 35 35 VAL HB H 1 1.96 . . 1 . . . . . . . . 699 1
150 . 1 1 35 35 VAL HG11 H 1 .79 . . 2 . . . . . . . . 699 1
151 . 1 1 35 35 VAL HG12 H 1 .79 . . 2 . . . . . . . . 699 1
152 . 1 1 35 35 VAL HG13 H 1 .79 . . 2 . . . . . . . . 699 1
153 . 1 1 35 35 VAL HG21 H 1 .58 . . 2 . . . . . . . . 699 1
154 . 1 1 35 35 VAL HG22 H 1 .58 . . 2 . . . . . . . . 699 1
155 . 1 1 35 35 VAL HG23 H 1 .58 . . 2 . . . . . . . . 699 1
156 . 1 1 36 36 GLU H H 1 8.43 . . 1 . . . . . . . . 699 1
157 . 1 1 36 36 GLU HA H 1 5.36 . . 1 . . . . . . . . 699 1
158 . 1 1 36 36 GLU HB2 H 1 1.89 . . 2 . . . . . . . . 699 1
159 . 1 1 36 36 GLU HB3 H 1 1.79 . . 2 . . . . . . . . 699 1
160 . 1 1 37 37 ARG H H 1 8.98 . . 1 . . . . . . . . 699 1
161 . 1 1 37 37 ARG HA H 1 4.95 . . 1 . . . . . . . . 699 1
162 . 1 1 37 37 ARG HB2 H 1 1.5 . . 1 . . . . . . . . 699 1
163 . 1 1 37 37 ARG HB3 H 1 1.5 . . 1 . . . . . . . . 699 1
164 . 1 1 38 38 GLU H H 1 8.88 . . 1 . . . . . . . . 699 1
165 . 1 1 38 38 GLU HA H 1 4.26 . . 1 . . . . . . . . 699 1
166 . 1 1 38 38 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 699 1
167 . 1 1 38 38 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 699 1
168 . 1 1 39 39 ASP H H 1 8.36 . . 1 . . . . . . . . 699 1
169 . 1 1 39 39 ASP HA H 1 4.45 . . 1 . . . . . . . . 699 1
170 . 1 1 39 39 ASP HB2 H 1 2.95 . . 2 . . . . . . . . 699 1
171 . 1 1 39 39 ASP HB3 H 1 2.19 . . 2 . . . . . . . . 699 1
172 . 1 1 40 40 THR H H 1 7.31 . . 1 . . . . . . . . 699 1
173 . 1 1 40 40 THR HA H 1 4.96 . . 1 . . . . . . . . 699 1
174 . 1 1 40 40 THR HB H 1 4.64 . . 1 . . . . . . . . 699 1
175 . 1 1 40 40 THR HG21 H 1 1.19 . . 1 . . . . . . . . 699 1
176 . 1 1 40 40 THR HG22 H 1 1.19 . . 1 . . . . . . . . 699 1
177 . 1 1 40 40 THR HG23 H 1 1.19 . . 1 . . . . . . . . 699 1
178 . 1 1 42 42 ALA H H 1 8.2 . . 1 . . . . . . . . 699 1
179 . 1 1 42 42 ALA HA H 1 4.17 . . 1 . . . . . . . . 699 1
180 . 1 1 42 42 ALA HB1 H 1 1.44 . . 1 . . . . . . . . 699 1
181 . 1 1 42 42 ALA HB2 H 1 1.44 . . 1 . . . . . . . . 699 1
182 . 1 1 42 42 ALA HB3 H 1 1.44 . . 1 . . . . . . . . 699 1
183 . 1 1 43 43 ILE H H 1 7.71 . . 1 . . . . . . . . 699 1
184 . 1 1 43 43 ILE HA H 1 3.99 . . 1 . . . . . . . . 699 1
185 . 1 1 43 43 ILE HB H 1 2.35 . . 1 . . . . . . . . 699 1
186 . 1 1 43 43 ILE HG21 H 1 .96 . . 1 . . . . . . . . 699 1
187 . 1 1 43 43 ILE HG22 H 1 .96 . . 1 . . . . . . . . 699 1
188 . 1 1 43 43 ILE HG23 H 1 .96 . . 1 . . . . . . . . 699 1
189 . 1 1 44 44 ARG H H 1 8.69 . . 1 . . . . . . . . 699 1
190 . 1 1 44 44 ARG HA H 1 3.96 . . 1 . . . . . . . . 699 1
191 . 1 1 44 44 ARG HB2 H 1 2.14 . . 1 . . . . . . . . 699 1
192 . 1 1 44 44 ARG HB3 H 1 2.14 . . 1 . . . . . . . . 699 1
193 . 1 1 45 45 GLY H H 1 8.45 . . 1 . . . . . . . . 699 1
194 . 1 1 45 45 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 699 1
195 . 1 1 45 45 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 699 1
196 . 1 1 46 46 MET H H 1 7.43 . . 1 . . . . . . . . 699 1
197 . 1 1 46 46 MET HA H 1 4.1 . . 1 . . . . . . . . 699 1
198 . 1 1 46 46 MET HB2 H 1 2.48 . . 1 . . . . . . . . 699 1
199 . 1 1 46 46 MET HB3 H 1 2.48 . . 1 . . . . . . . . 699 1
200 . 1 1 47 47 ILE H H 1 8.25 . . 1 . . . . . . . . 699 1
201 . 1 1 47 47 ILE HA H 1 3.15 . . 1 . . . . . . . . 699 1
202 . 1 1 47 47 ILE HB H 1 1.75 . . 1 . . . . . . . . 699 1
203 . 1 1 47 47 ILE HG21 H 1 .7 . . 1 . . . . . . . . 699 1
204 . 1 1 47 47 ILE HG22 H 1 .7 . . 1 . . . . . . . . 699 1
205 . 1 1 47 47 ILE HG23 H 1 .7 . . 1 . . . . . . . . 699 1
206 . 1 1 48 48 ASN H H 1 8 . . 1 . . . . . . . . 699 1
207 . 1 1 48 48 ASN HA H 1 4.34 . . 1 . . . . . . . . 699 1
208 . 1 1 48 48 ASN HB2 H 1 2.88 . . 1 . . . . . . . . 699 1
209 . 1 1 48 48 ASN HB3 H 1 2.88 . . 1 . . . . . . . . 699 1
210 . 1 1 48 48 ASN HD21 H 1 6.94 . . 1 . . . . . . . . 699 1
211 . 1 1 48 48 ASN HD22 H 1 6.94 . . 1 . . . . . . . . 699 1
212 . 1 1 49 49 ALA H H 1 7.51 . . 1 . . . . . . . . 699 1
213 . 1 1 49 49 ALA HA H 1 4.31 . . 1 . . . . . . . . 699 1
214 . 1 1 49 49 ALA HB1 H 1 1.73 . . 1 . . . . . . . . 699 1
215 . 1 1 49 49 ALA HB2 H 1 1.73 . . 1 . . . . . . . . 699 1
216 . 1 1 49 49 ALA HB3 H 1 1.73 . . 1 . . . . . . . . 699 1
217 . 1 1 50 50 VAL H H 1 7.28 . . 1 . . . . . . . . 699 1
218 . 1 1 50 50 VAL HA H 1 4.3 . . 1 . . . . . . . . 699 1
219 . 1 1 50 50 VAL HB H 1 2.14 . . 1 . . . . . . . . 699 1
220 . 1 1 50 50 VAL HG11 H 1 .89 . . 2 . . . . . . . . 699 1
221 . 1 1 50 50 VAL HG12 H 1 .89 . . 2 . . . . . . . . 699 1
222 . 1 1 50 50 VAL HG13 H 1 .89 . . 2 . . . . . . . . 699 1
223 . 1 1 50 50 VAL HG21 H 1 .7 . . 2 . . . . . . . . 699 1
224 . 1 1 50 50 VAL HG22 H 1 .7 . . 2 . . . . . . . . 699 1
225 . 1 1 50 50 VAL HG23 H 1 .7 . . 2 . . . . . . . . 699 1
226 . 1 1 51 51 SER H H 1 7.1 . . 1 . . . . . . . . 699 1
227 . 1 1 51 51 SER HA H 1 3.84 . . 1 . . . . . . . . 699 1
228 . 1 1 51 51 SER HB2 H 1 4.02 . . 2 . . . . . . . . 699 1
229 . 1 1 51 51 SER HB3 H 1 4.15 . . 2 . . . . . . . . 699 1
230 . 1 1 52 52 PHE H H 1 7.01 . . 1 . . . . . . . . 699 1
231 . 1 1 52 52 PHE HA H 1 4.64 . . 1 . . . . . . . . 699 1
232 . 1 1 52 52 PHE HB2 H 1 3.08 . . 2 . . . . . . . . 699 1
233 . 1 1 52 52 PHE HB3 H 1 3.38 . . 2 . . . . . . . . 699 1
234 . 1 1 52 52 PHE HD1 H 1 7.16 . . 1 . . . . . . . . 699 1
235 . 1 1 52 52 PHE HD2 H 1 7.16 . . 1 . . . . . . . . 699 1
236 . 1 1 52 52 PHE HE1 H 1 7.24 . . 1 . . . . . . . . 699 1
237 . 1 1 52 52 PHE HE2 H 1 7.24 . . 1 . . . . . . . . 699 1
238 . 1 1 52 52 PHE HZ H 1 6.68 . . 1 . . . . . . . . 699 1
239 . 1 1 53 53 MET H H 1 8.01 . . 1 . . . . . . . . 699 1
240 . 1 1 53 53 MET HA H 1 4.56 . . 1 . . . . . . . . 699 1
241 . 1 1 53 53 MET HB2 H 1 2.12 . . 1 . . . . . . . . 699 1
242 . 1 1 53 53 MET HB3 H 1 2.12 . . 1 . . . . . . . . 699 1
243 . 1 1 54 54 VAL H H 1 7.1 . . 1 . . . . . . . . 699 1
244 . 1 1 54 54 VAL HA H 1 5.55 . . 1 . . . . . . . . 699 1
245 . 1 1 54 54 VAL HB H 1 1.89 . . 1 . . . . . . . . 699 1
246 . 1 1 54 54 VAL HG11 H 1 .65 . . 2 . . . . . . . . 699 1
247 . 1 1 54 54 VAL HG12 H 1 .65 . . 2 . . . . . . . . 699 1
248 . 1 1 54 54 VAL HG13 H 1 .65 . . 2 . . . . . . . . 699 1
249 . 1 1 54 54 VAL HG21 H 1 .59 . . 2 . . . . . . . . 699 1
250 . 1 1 54 54 VAL HG22 H 1 .59 . . 2 . . . . . . . . 699 1
251 . 1 1 54 54 VAL HG23 H 1 .59 . . 2 . . . . . . . . 699 1
252 . 1 1 55 55 LYS H H 1 8.85 . . 1 . . . . . . . . 699 1
253 . 1 1 55 55 LYS HA H 1 4.75 . . 1 . . . . . . . . 699 1
254 . 1 1 55 55 LYS HB2 H 1 1.6 . . 1 . . . . . . . . 699 1
255 . 1 1 55 55 LYS HB3 H 1 1.6 . . 1 . . . . . . . . 699 1
256 . 1 1 56 56 VAL H H 1 8.8 . . 1 . . . . . . . . 699 1
257 . 1 1 56 56 VAL HA H 1 4.88 . . 1 . . . . . . . . 699 1
258 . 1 1 56 56 VAL HB H 1 1.96 . . 1 . . . . . . . . 699 1
259 . 1 1 56 56 VAL HG11 H 1 .85 . . 2 . . . . . . . . 699 1
260 . 1 1 56 56 VAL HG12 H 1 .85 . . 2 . . . . . . . . 699 1
261 . 1 1 56 56 VAL HG13 H 1 .85 . . 2 . . . . . . . . 699 1
262 . 1 1 56 56 VAL HG21 H 1 .9 . . 2 . . . . . . . . 699 1
263 . 1 1 56 56 VAL HG22 H 1 .9 . . 2 . . . . . . . . 699 1
264 . 1 1 56 56 VAL HG23 H 1 .9 . . 2 . . . . . . . . 699 1
265 . 1 1 57 57 GLU H H 1 9.1 . . 1 . . . . . . . . 699 1
266 . 1 1 57 57 GLU HA H 1 4.64 . . 1 . . . . . . . . 699 1
267 . 1 1 57 57 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 699 1
268 . 1 1 57 57 GLU HB3 H 1 1.85 . . 2 . . . . . . . . 699 1
269 . 1 1 58 58 GLU H H 1 8.33 . . 1 . . . . . . . . 699 1
270 . 1 1 58 58 GLU HA H 1 4.32 . . 1 . . . . . . . . 699 1
271 . 1 1 58 58 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 699 1
272 . 1 1 58 58 GLU HB3 H 1 1.94 . . 2 . . . . . . . . 699 1
stop_
save_