###################################
# 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 15108
_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 $sample . 15108 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 2 2 GLY H H 1 8.79 0.005 . 1 . . . . 2 GLY H . 15108 1
2 . 1 1 2 2 GLY HA2 H 1 4.05 0.005 . 1 . . . . 2 GLY HA2 . 15108 1
3 . 1 1 2 2 GLY HA3 H 1 4.37 0.005 . 1 . . . . 2 GLY HA3 . 15108 1
4 . 1 1 3 3 PHE H H 1 7.52 0.005 . 1 . . . . 3 PHE H . 15108 1
5 . 1 1 3 3 PHE HA H 1 4.24 0.005 . 1 . . . . 3 PHE HA . 15108 1
6 . 1 1 3 3 PHE HB2 H 1 3.14 0.005 . 1 . . . . 3 PHE HB2 . 15108 1
7 . 1 1 3 3 PHE HB3 H 1 3.26 0.005 . 1 . . . . 3 PHE HB3 . 15108 1
8 . 1 1 3 3 PHE HD1 H 1 7.28 0.005 . 1 . . . . 3 PHE HD1 . 15108 1
9 . 1 1 3 3 PHE HD2 H 1 7.28 0.005 . 1 . . . . 3 PHE HD2 . 15108 1
10 . 1 1 3 3 PHE HE1 H 1 7.21 0.005 . 1 . . . . 3 PHE HE1 . 15108 1
11 . 1 1 3 3 PHE HE2 H 1 7.21 0.005 . 1 . . . . 3 PHE HE2 . 15108 1
12 . 1 1 4 4 LYS H H 1 8.81 0.005 . 1 . . . . 4 LYS H . 15108 1
13 . 1 1 4 4 LYS HA H 1 3.86 0.005 . 1 . . . . 4 LYS HA . 15108 1
14 . 1 1 4 4 LYS HB2 H 1 1.74 0.005 . 1 . . . . 4 LYS HB2 . 15108 1
15 . 1 1 4 4 LYS HB3 H 1 1.88 0.005 . 1 . . . . 4 LYS HB3 . 15108 1
16 . 1 1 4 4 LYS HG2 H 1 1.38 0.005 . 1 . . . . 4 LYS HG2 . 15108 1
17 . 1 1 4 4 LYS HG3 H 1 1.38 0.005 . 1 . . . . 4 LYS HG3 . 15108 1
18 . 1 1 4 4 LYS HD2 H 1 1.53 0.005 . 1 . . . . 4 LYS HD2 . 15108 1
19 . 1 1 4 4 LYS HD3 H 1 1.53 0.005 . 1 . . . . 4 LYS HD3 . 15108 1
20 . 1 1 4 4 LYS HE2 H 1 3.03 0.005 . 1 . . . . 4 LYS HE2 . 15108 1
21 . 1 1 4 4 LYS HE3 H 1 3.03 0.005 . 1 . . . . 4 LYS HE3 . 15108 1
22 . 1 1 5 5 ASP H H 1 7.52 0.005 . 1 . . . . 5 ASP H . 15108 1
23 . 1 1 5 5 ASP HA H 1 4.40 0.005 . 1 . . . . 5 ASP HA . 15108 1
24 . 1 1 5 5 ASP HB2 H 1 2.61 0.005 . 1 . . . . 5 ASP HB2 . 15108 1
25 . 1 1 5 5 ASP HB3 H 1 2.61 0.005 . 1 . . . . 5 ASP HB3 . 15108 1
26 . 1 1 6 6 ILE H H 1 7.56 0.005 . 1 . . . . 6 ILE H . 15108 1
27 . 1 1 6 6 ILE HA H 1 3.74 0.005 . 1 . . . . 6 ILE HA . 15108 1
28 . 1 1 6 6 ILE HB H 1 2.07 0.005 . 1 . . . . 6 ILE HB . 15108 1
29 . 1 1 6 6 ILE HG12 H 1 1.18 0.005 . 1 . . . . 6 ILE HG12 . 15108 1
30 . 1 1 6 6 ILE HG13 H 1 1.46 0.005 . 1 . . . . 6 ILE HG13 . 15108 1
31 . 1 1 6 6 ILE HG21 H 1 0.91 0.005 . 4 . . . . 6 ILE HG2 . 15108 1
32 . 1 1 6 6 ILE HG22 H 1 0.91 0.005 . 4 . . . . 6 ILE HG2 . 15108 1
33 . 1 1 6 6 ILE HG23 H 1 0.91 0.005 . 4 . . . . 6 ILE HG2 . 15108 1
34 . 1 1 6 6 ILE HD11 H 1 0.91 0.005 . 4 . . . . 6 ILE HD1 . 15108 1
35 . 1 1 6 6 ILE HD12 H 1 0.91 0.005 . 4 . . . . 6 ILE HD1 . 15108 1
36 . 1 1 6 6 ILE HD13 H 1 0.91 0.005 . 4 . . . . 6 ILE HD1 . 15108 1
37 . 1 1 7 7 ILE H H 1 7.77 0.005 . 1 . . . . 7 ILE H . 15108 1
38 . 1 1 7 7 ILE HA H 1 3.67 0.005 . 1 . . . . 7 ILE HA . 15108 1
39 . 1 1 7 7 ILE HB H 1 1.92 0.005 . 1 . . . . 7 ILE HB . 15108 1
40 . 1 1 7 7 ILE HG12 H 1 1.18 0.005 . 1 . . . . 7 ILE HG12 . 15108 1
41 . 1 1 7 7 ILE HG13 H 1 1.46 0.005 . 1 . . . . 7 ILE HG13 . 15108 1
42 . 1 1 7 7 ILE HG21 H 1 0.91 0.005 . 1 . . . . 7 ILE HG2 . 15108 1
43 . 1 1 7 7 ILE HG22 H 1 0.91 0.005 . 1 . . . . 7 ILE HG2 . 15108 1
44 . 1 1 7 7 ILE HG23 H 1 0.91 0.005 . 1 . . . . 7 ILE HG2 . 15108 1
45 . 1 1 7 7 ILE HD11 H 1 0.77 0.005 . 1 . . . . 7 ILE HD1 . 15108 1
46 . 1 1 7 7 ILE HD12 H 1 0.77 0.005 . 1 . . . . 7 ILE HD1 . 15108 1
47 . 1 1 7 7 ILE HD13 H 1 0.77 0.005 . 1 . . . . 7 ILE HD1 . 15108 1
48 . 1 1 8 8 ARG H H 1 7.71 0.005 . 1 . . . . 8 ARG H . 15108 1
49 . 1 1 8 8 ARG HA H 1 3.96 0.005 . 1 . . . . 8 ARG HA . 15108 1
50 . 1 1 8 8 ARG HB2 H 1 1.85 0.005 . 1 . . . . 8 ARG HB2 . 15108 1
51 . 1 1 8 8 ARG HB3 H 1 1.97 0.005 . 1 . . . . 8 ARG HB3 . 15108 1
52 . 1 1 8 8 ARG HG2 H 1 1.73 0.005 . 1 . . . . 8 ARG HG2 . 15108 1
53 . 1 1 8 8 ARG HG3 H 1 1.73 0.005 . 1 . . . . 8 ARG HG3 . 15108 1
54 . 1 1 8 8 ARG HD2 H 1 3.27 0.005 . 1 . . . . 8 ARG HD2 . 15108 1
55 . 1 1 8 8 ARG HD3 H 1 3.27 0.005 . 1 . . . . 8 ARG HD3 . 15108 1
56 . 1 1 9 9 ALA H H 1 7.69 0.005 . 1 . . . . 9 ALA H . 15108 1
57 . 1 1 9 9 ALA HA H 1 4.18 0.005 . 1 . . . . 9 ALA HA . 15108 1
58 . 1 1 9 9 ALA HB1 H 1 1.58 0.005 . 1 . . . . 9 ALA HB . 15108 1
59 . 1 1 9 9 ALA HB2 H 1 1.58 0.005 . 1 . . . . 9 ALA HB . 15108 1
60 . 1 1 9 9 ALA HB3 H 1 1.58 0.005 . 1 . . . . 9 ALA HB . 15108 1
61 . 1 1 10 10 ILE H H 1 8.17 0.005 . 1 . . . . 10 ILE H . 15108 1
62 . 1 1 10 10 ILE HA H 1 3.74 0.005 . 1 . . . . 10 ILE HA . 15108 1
63 . 1 1 10 10 ILE HB H 1 2.04 0.005 . 1 . . . . 10 ILE HB . 15108 1
64 . 1 1 10 10 ILE HG12 H 1 1.85 0.005 . 1 . . . . 10 ILE HG12 . 15108 1
65 . 1 1 10 10 ILE HG13 H 1 1.85 0.005 . 1 . . . . 10 ILE HG13 . 15108 1
66 . 1 1 10 10 ILE HG21 H 1 0.91 0.005 . 1 . . . . 10 ILE HG2 . 15108 1
67 . 1 1 10 10 ILE HG22 H 1 0.91 0.005 . 1 . . . . 10 ILE HG2 . 15108 1
68 . 1 1 10 10 ILE HG23 H 1 0.91 0.005 . 1 . . . . 10 ILE HG2 . 15108 1
69 . 1 1 10 10 ILE HD11 H 1 0.77 0.005 . 1 . . . . 10 ILE HD1 . 15108 1
70 . 1 1 10 10 ILE HD12 H 1 0.77 0.005 . 1 . . . . 10 ILE HD1 . 15108 1
71 . 1 1 10 10 ILE HD13 H 1 0.77 0.005 . 1 . . . . 10 ILE HD1 . 15108 1
72 . 1 1 11 11 ARG H H 1 7.66 0.005 . 1 . . . . 11 ARG H . 15108 1
73 . 1 1 11 11 ARG HA H 1 3.96 0.005 . 1 . . . . 11 ARG HA . 15108 1
74 . 1 1 11 11 ARG HB2 H 1 1.94 0.005 . 1 . . . . 11 ARG HB2 . 15108 1
75 . 1 1 11 11 ARG HB3 H 1 2.04 0.005 . 1 . . . . 11 ARG HB3 . 15108 1
76 . 1 1 11 11 ARG HG2 H 1 1.71 0.005 . 1 . . . . 11 ARG HG2 . 15108 1
77 . 1 1 11 11 ARG HG3 H 1 1.83 0.005 . 1 . . . . 11 ARG HG3 . 15108 1
78 . 1 1 11 11 ARG HD2 H 1 3.19 0.005 . 1 . . . . 11 ARG HD2 . 15108 1
79 . 1 1 11 11 ARG HD3 H 1 3.19 0.005 . 1 . . . . 11 ARG HD3 . 15108 1
80 . 1 1 12 12 ARG H H 1 7.73 0.005 . 1 . . . . 12 ARG H . 15108 1
81 . 1 1 12 12 ARG HA H 1 4.24 0.005 . 1 . . . . 12 ARG HA . 15108 1
82 . 1 1 12 12 ARG HB2 H 1 1.83 0.005 . 1 . . . . 12 ARG HB2 . 15108 1
83 . 1 1 12 12 ARG HB3 H 1 2.03 0.005 . 1 . . . . 12 ARG HB3 . 15108 1
84 . 1 1 12 12 ARG HG2 H 1 1.74 0.005 . 1 . . . . 12 ARG HG2 . 15108 1
85 . 1 1 12 12 ARG HG3 H 1 1.74 0.005 . 1 . . . . 12 ARG HG3 . 15108 1
86 . 1 1 12 12 ARG HD2 H 1 3.30 0.005 . 1 . . . . 12 ARG HD2 . 15108 1
87 . 1 1 12 12 ARG HD3 H 1 3.34 0.005 . 1 . . . . 12 ARG HD3 . 15108 1
88 . 1 1 13 13 ILE H H 1 7.65 0.005 . 1 . . . . 13 ILE H . 15108 1
89 . 1 1 13 13 ILE HA H 1 4.25 0.005 . 1 . . . . 13 ILE HA . 15108 1
90 . 1 1 13 13 ILE HB H 1 2.02 0.005 . 1 . . . . 13 ILE HB . 15108 1
91 . 1 1 13 13 ILE HG12 H 1 1.34 0.005 . 1 . . . . 13 ILE HG12 . 15108 1
92 . 1 1 13 13 ILE HG13 H 1 1.65 0.005 . 1 . . . . 13 ILE HG13 . 15108 1
93 . 1 1 13 13 ILE HG21 H 1 0.97 0.005 . 1 . . . . 13 ILE HG2 . 15108 1
94 . 1 1 13 13 ILE HG22 H 1 0.97 0.005 . 1 . . . . 13 ILE HG2 . 15108 1
95 . 1 1 13 13 ILE HG23 H 1 0.97 0.005 . 1 . . . . 13 ILE HG2 . 15108 1
96 . 1 1 13 13 ILE HD11 H 1 0.89 0.005 . 1 . . . . 13 ILE HD1 . 15108 1
97 . 1 1 13 13 ILE HD12 H 1 0.89 0.005 . 1 . . . . 13 ILE HD1 . 15108 1
98 . 1 1 13 13 ILE HD13 H 1 0.89 0.005 . 1 . . . . 13 ILE HD1 . 15108 1
99 . 1 1 14 14 ALA H H 1 8.09 0.005 . 1 . . . . 14 ALA H . 15108 1
100 . 1 1 14 14 ALA HA H 1 4.21 0.005 . 1 . . . . 14 ALA HA . 15108 1
101 . 1 1 14 14 ALA HB1 H 1 1.46 0.005 . 1 . . . . 14 ALA HB . 15108 1
102 . 1 1 14 14 ALA HB2 H 1 1.46 0.005 . 1 . . . . 14 ALA HB . 15108 1
103 . 1 1 14 14 ALA HB3 H 1 1.46 0.005 . 1 . . . . 14 ALA HB . 15108 1
104 . 1 1 15 15 VAL H H 1 7.94 0.005 . 1 . . . . 15 VAL H . 15108 1
105 . 1 1 15 15 VAL HA H 1 3.92 0.005 . 1 . . . . 15 VAL HA . 15108 1
106 . 1 1 15 15 VAL HB H 1 2.38 0.005 . 1 . . . . 15 VAL HB . 15108 1
107 . 1 1 15 15 VAL HG11 H 1 1.11 0.005 . 2 . . . . 15 VAL HG1 . 15108 1
108 . 1 1 15 15 VAL HG12 H 1 1.11 0.005 . 2 . . . . 15 VAL HG1 . 15108 1
109 . 1 1 15 15 VAL HG13 H 1 1.11 0.005 . 2 . . . . 15 VAL HG1 . 15108 1
110 . 1 1 15 15 VAL HG21 H 1 0.98 0.005 . 2 . . . . 15 VAL HG2 . 15108 1
111 . 1 1 15 15 VAL HG22 H 1 0.98 0.005 . 2 . . . . 15 VAL HG2 . 15108 1
112 . 1 1 15 15 VAL HG23 H 1 0.98 0.005 . 2 . . . . 15 VAL HG2 . 15108 1
113 . 1 1 16 16 PRO HA H 1 4.24 0.005 . 1 . . . . 16 PRO HA . 15108 1
114 . 1 1 16 16 PRO HB2 H 1 1.91 0.005 . 1 . . . . 16 PRO HB2 . 15108 1
115 . 1 1 16 16 PRO HB3 H 1 2.37 0.005 . 1 . . . . 16 PRO HB3 . 15108 1
116 . 1 1 16 16 PRO HG2 H 1 2.05 0.005 . 1 . . . . 16 PRO HG2 . 15108 1
117 . 1 1 16 16 PRO HG3 H 1 2.18 0.005 . 1 . . . . 16 PRO HG3 . 15108 1
118 . 1 1 16 16 PRO HD2 H 1 3.66 0.005 . 1 . . . . 16 PRO HD2 . 15108 1
119 . 1 1 16 16 PRO HD3 H 1 3.69 0.005 . 1 . . . . 16 PRO HD3 . 15108 1
120 . 1 1 17 17 VAL H H 1 7.43 0.005 . 1 . . . . 17 VAL H . 15108 1
121 . 1 1 17 17 VAL HA H 1 3.92 0.005 . 1 . . . . 17 VAL HA . 15108 1
122 . 1 1 17 17 VAL HB H 1 2.26 0.005 . 1 . . . . 17 VAL HB . 15108 1
123 . 1 1 17 17 VAL HG11 H 1 1.10 0.005 . 2 . . . . 17 VAL HG1 . 15108 1
124 . 1 1 17 17 VAL HG12 H 1 1.10 0.005 . 2 . . . . 17 VAL HG1 . 15108 1
125 . 1 1 17 17 VAL HG13 H 1 1.10 0.005 . 2 . . . . 17 VAL HG1 . 15108 1
126 . 1 1 17 17 VAL HG21 H 1 0.98 0.005 . 2 . . . . 17 VAL HG2 . 15108 1
127 . 1 1 17 17 VAL HG22 H 1 0.98 0.005 . 2 . . . . 17 VAL HG2 . 15108 1
128 . 1 1 17 17 VAL HG23 H 1 0.98 0.005 . 2 . . . . 17 VAL HG2 . 15108 1
129 . 1 1 18 18 VAL H H 1 8.25 0.005 . 1 . . . . 18 VAL H . 15108 1
130 . 1 1 18 18 VAL HA H 1 3.83 0.005 . 1 . . . . 18 VAL HA . 15108 1
131 . 1 1 18 18 VAL HB H 1 2.25 0.005 . 1 . . . . 18 VAL HB . 15108 1
132 . 1 1 18 18 VAL HG11 H 1 1.08 0.005 . 2 . . . . 18 VAL HG1 . 15108 1
133 . 1 1 18 18 VAL HG12 H 1 1.08 0.005 . 2 . . . . 18 VAL HG1 . 15108 1
134 . 1 1 18 18 VAL HG13 H 1 1.08 0.005 . 2 . . . . 18 VAL HG1 . 15108 1
135 . 1 1 18 18 VAL HG21 H 1 1.02 0.005 . 2 . . . . 18 VAL HG2 . 15108 1
136 . 1 1 18 18 VAL HG22 H 1 1.02 0.005 . 2 . . . . 18 VAL HG2 . 15108 1
137 . 1 1 18 18 VAL HG23 H 1 1.02 0.005 . 2 . . . . 18 VAL HG2 . 15108 1
138 . 1 1 19 19 SER H H 1 8.15 0.005 . 1 . . . . 19 SER H . 15108 1
139 . 1 1 19 19 SER HA H 1 4.22 0.005 . 1 . . . . 19 SER HA . 15108 1
140 . 1 1 19 19 SER HB2 H 1 4.02 0.005 . 1 . . . . 19 SER HB2 . 15108 1
141 . 1 1 19 19 SER HB3 H 1 3.94 0.005 . 1 . . . . 19 SER HB3 . 15108 1
142 . 1 1 20 20 THR H H 1 7.45 0.005 . 1 . . . . 20 THR H . 15108 1
143 . 1 1 20 20 THR HA H 1 4.27 0.005 . 1 . . . . 20 THR HA . 15108 1
144 . 1 1 20 20 THR HB H 1 4.27 0.005 . 1 . . . . 20 THR HB . 15108 1
145 . 1 1 20 20 THR HG21 H 1 1.28 0.005 . 1 . . . . 20 THR HG2 . 15108 1
146 . 1 1 20 20 THR HG22 H 1 1.28 0.005 . 1 . . . . 20 THR HG2 . 15108 1
147 . 1 1 20 20 THR HG23 H 1 1.28 0.005 . 1 . . . . 20 THR HG2 . 15108 1
148 . 1 1 21 21 LEU H H 1 7.71 0.005 . 1 . . . . 21 LEU H . 15108 1
149 . 1 1 21 21 LEU HA H 1 4.24 0.005 . 1 . . . . 21 LEU HA . 15108 1
150 . 1 1 21 21 LEU HB2 H 1 1.65 0.005 . 1 . . . . 21 LEU HB2 . 15108 1
151 . 1 1 21 21 LEU HB3 H 1 1.65 0.005 . 1 . . . . 21 LEU HB3 . 15108 1
152 . 1 1 21 21 LEU HG H 1 1.32 0.005 . 1 . . . . 21 LEU HG . 15108 1
153 . 1 1 21 21 LEU HD11 H 1 0.92 0.005 . 2 . . . . 21 LEU HD1 . 15108 1
154 . 1 1 21 21 LEU HD12 H 1 0.92 0.005 . 2 . . . . 21 LEU HD1 . 15108 1
155 . 1 1 21 21 LEU HD13 H 1 0.92 0.005 . 2 . . . . 21 LEU HD1 . 15108 1
156 . 1 1 21 21 LEU HD21 H 1 0.83 0.005 . 2 . . . . 21 LEU HD2 . 15108 1
157 . 1 1 21 21 LEU HD22 H 1 0.83 0.005 . 2 . . . . 21 LEU HD2 . 15108 1
158 . 1 1 21 21 LEU HD23 H 1 0.83 0.005 . 2 . . . . 21 LEU HD2 . 15108 1
159 . 1 1 22 22 PHE H H 1 7.82 0.005 . 1 . . . . 22 PHE H . 15108 1
160 . 1 1 22 22 PHE HA H 1 4.95 0.005 . 1 . . . . 22 PHE HA . 15108 1
161 . 1 1 22 22 PHE HB2 H 1 3.16 0.005 . 1 . . . . 22 PHE HB2 . 15108 1
162 . 1 1 22 22 PHE HB3 H 1 3.05 0.005 . 1 . . . . 22 PHE HB3 . 15108 1
163 . 1 1 22 22 PHE HD1 H 1 7.32 0.005 . 1 . . . . 22 PHE HD1 . 15108 1
164 . 1 1 22 22 PHE HD2 H 1 7.32 0.005 . 1 . . . . 22 PHE HD2 . 15108 1
165 . 1 1 22 22 PHE HE1 H 1 7.23 0.005 . 1 . . . . 22 PHE HE1 . 15108 1
166 . 1 1 22 22 PHE HE2 H 1 7.23 0.005 . 1 . . . . 22 PHE HE2 . 15108 1
167 . 1 1 23 23 PRO HA H 1 4.71 0.005 . 1 . . . . 23 PRO HA . 15108 1
168 . 1 1 23 23 PRO HB2 H 1 2.42 0.005 . 1 . . . . 23 PRO HB2 . 15108 1
169 . 1 1 23 23 PRO HB3 H 1 2.01 0.005 . 1 . . . . 23 PRO HB3 . 15108 1
170 . 1 1 23 23 PRO HG2 H 1 2.11 0.005 . 1 . . . . 23 PRO HG2 . 15108 1
171 . 1 1 23 23 PRO HG3 H 1 2.06 0.005 . 1 . . . . 23 PRO HG3 . 15108 1
172 . 1 1 23 23 PRO HD2 H 1 3.74 0.005 . 1 . . . . 23 PRO HD2 . 15108 1
173 . 1 1 23 23 PRO HD3 H 1 3.51 0.005 . 1 . . . . 23 PRO HD3 . 15108 1
174 . 1 1 24 24 PRO HA H 1 4.63 0.005 . 1 . . . . 24 PRO HA . 15108 1
175 . 1 1 24 24 PRO HB2 H 1 2.16 0.005 . 1 . . . . 24 PRO HB2 . 15108 1
176 . 1 1 24 24 PRO HB3 H 1 1.96 0.005 . 1 . . . . 24 PRO HB3 . 15108 1
177 . 1 1 24 24 PRO HG2 H 1 1.91 0.005 . 1 . . . . 24 PRO HG2 . 15108 1
178 . 1 1 24 24 PRO HG3 H 1 1.91 0.005 . 1 . . . . 24 PRO HG3 . 15108 1
179 . 1 1 24 24 PRO HD2 H 1 3.71 0.005 . 1 . . . . 24 PRO HD2 . 15108 1
180 . 1 1 24 24 PRO HD3 H 1 3.53 0.005 . 1 . . . . 24 PRO HD3 . 15108 1
181 . 1 1 25 25 ALA H H 1 8.06 0.005 . 1 . . . . 25 ALA H . 15108 1
182 . 1 1 25 25 ALA HA H 1 4.32 0.005 . 1 . . . . 25 ALA HA . 15108 1
183 . 1 1 25 25 ALA HB1 H 1 1.52 0.005 . 1 . . . . 25 ALA HB . 15108 1
184 . 1 1 25 25 ALA HB2 H 1 1.52 0.005 . 1 . . . . 25 ALA HB . 15108 1
185 . 1 1 25 25 ALA HB3 H 1 1.52 0.005 . 1 . . . . 25 ALA HB . 15108 1
186 . 1 1 26 26 ALA H H 1 8.11 0.005 . 1 . . . . 26 ALA H . 15108 1
187 . 1 1 26 26 ALA HA H 1 4.39 0.005 . 1 . . . . 26 ALA HA . 15108 1
188 . 1 1 26 26 ALA HB1 H 1 1.56 0.005 . 1 . . . . 26 ALA HB . 15108 1
189 . 1 1 26 26 ALA HB2 H 1 1.56 0.005 . 1 . . . . 26 ALA HB . 15108 1
190 . 1 1 26 26 ALA HB3 H 1 1.56 0.005 . 1 . . . . 26 ALA HB . 15108 1
191 . 1 1 27 27 PRO HA H 1 4.48 0.005 . 1 . . . . 27 PRO HA . 15108 1
192 . 1 1 27 27 PRO HB2 H 1 2.43 0.005 . 1 . . . . 27 PRO HB2 . 15108 1
193 . 1 1 27 27 PRO HB3 H 1 1.91 0.005 . 1 . . . . 27 PRO HB3 . 15108 1
194 . 1 1 27 27 PRO HG2 H 1 2.15 0.005 . 1 . . . . 27 PRO HG2 . 15108 1
195 . 1 1 27 27 PRO HG3 H 1 2.09 0.005 . 1 . . . . 27 PRO HG3 . 15108 1
196 . 1 1 27 27 PRO HD2 H 1 3.80 0.005 . 1 . . . . 27 PRO HD2 . 15108 1
197 . 1 1 27 27 PRO HD3 H 1 3.80 0.005 . 1 . . . . 27 PRO HD3 . 15108 1
198 . 1 1 28 28 LEU H H 1 7.80 0.005 . 1 . . . . 28 LEU H . 15108 1
199 . 1 1 28 28 LEU HA H 1 4.20 0.005 . 1 . . . . 28 LEU HA . 15108 1
200 . 1 1 28 28 LEU HB2 H 1 1.80 0.005 . 1 . . . . 28 LEU HB2 . 15108 1
201 . 1 1 28 28 LEU HB3 H 1 1.80 0.005 . 1 . . . . 28 LEU HB3 . 15108 1
202 . 1 1 28 28 LEU HG H 1 1.73 0.005 . 1 . . . . 28 LEU HG . 15108 1
203 . 1 1 28 28 LEU HD11 H 1 0.93 0.005 . 2 . . . . 28 LEU HD1 . 15108 1
204 . 1 1 28 28 LEU HD12 H 1 0.93 0.005 . 2 . . . . 28 LEU HD1 . 15108 1
205 . 1 1 28 28 LEU HD13 H 1 0.93 0.005 . 2 . . . . 28 LEU HD1 . 15108 1
206 . 1 1 28 28 LEU HD21 H 1 0.90 0.005 . 2 . . . . 28 LEU HD2 . 15108 1
207 . 1 1 28 28 LEU HD22 H 1 0.90 0.005 . 2 . . . . 28 LEU HD2 . 15108 1
208 . 1 1 28 28 LEU HD23 H 1 0.90 0.005 . 2 . . . . 28 LEU HD2 . 15108 1
209 . 1 1 29 29 ALA H H 1 8.24 0.005 . 1 . . . . 29 ALA H . 15108 1
210 . 1 1 29 29 ALA HA H 1 3.96 0.005 . 1 . . . . 29 ALA HA . 15108 1
211 . 1 1 29 29 ALA HB1 H 1 1.50 0.005 . 1 . . . . 29 ALA HB . 15108 1
212 . 1 1 29 29 ALA HB2 H 1 1.50 0.005 . 1 . . . . 29 ALA HB . 15108 1
213 . 1 1 29 29 ALA HB3 H 1 1.50 0.005 . 1 . . . . 29 ALA HB . 15108 1
214 . 1 1 30 30 HIS H H 1 8.26 0.005 . 1 . . . . 30 HIS H . 15108 1
215 . 1 1 30 30 HIS HA H 1 4.44 0.005 . 1 . . . . 30 HIS HA . 15108 1
216 . 1 1 30 30 HIS HB2 H 1 3.39 0.005 . 1 . . . . 30 HIS HB2 . 15108 1
217 . 1 1 30 30 HIS HB3 H 1 3.39 0.005 . 1 . . . . 30 HIS HB3 . 15108 1
218 . 1 1 30 30 HIS HD2 H 1 7.36 0.005 . 1 . . . . 30 HIS HD2 . 15108 1
219 . 1 1 31 31 ALA H H 1 7.99 0.005 . 1 . . . . 31 ALA H . 15108 1
220 . 1 1 31 31 ALA HA H 1 4.18 0.005 . 1 . . . . 31 ALA HA . 15108 1
221 . 1 1 31 31 ALA HB1 H 1 1.57 0.005 . 1 . . . . 31 ALA HB . 15108 1
222 . 1 1 31 31 ALA HB2 H 1 1.57 0.005 . 1 . . . . 31 ALA HB . 15108 1
223 . 1 1 31 31 ALA HB3 H 1 1.57 0.005 . 1 . . . . 31 ALA HB . 15108 1
224 . 1 1 32 32 ILE H H 1 8.20 0.005 . 1 . . . . 32 ILE H . 15108 1
225 . 1 1 32 32 ILE HA H 1 3.73 0.005 . 1 . . . . 32 ILE HA . 15108 1
226 . 1 1 32 32 ILE HB H 1 1.97 0.005 . 1 . . . . 32 ILE HB . 15108 1
227 . 1 1 32 32 ILE HG12 H 1 1.82 0.005 . 1 . . . . 32 ILE HG12 . 15108 1
228 . 1 1 32 32 ILE HG13 H 1 1.82 0.005 . 1 . . . . 32 ILE HG13 . 15108 1
229 . 1 1 32 32 ILE HG21 H 1 0.90 0.005 . 1 . . . . 32 ILE HG2 . 15108 1
230 . 1 1 32 32 ILE HG22 H 1 0.90 0.005 . 1 . . . . 32 ILE HG2 . 15108 1
231 . 1 1 32 32 ILE HG23 H 1 0.90 0.005 . 1 . . . . 32 ILE HG2 . 15108 1
232 . 1 1 32 32 ILE HD11 H 1 0.82 0.005 . 1 . . . . 32 ILE HD1 . 15108 1
233 . 1 1 32 32 ILE HD12 H 1 0.82 0.005 . 1 . . . . 32 ILE HD1 . 15108 1
234 . 1 1 32 32 ILE HD13 H 1 0.82 0.005 . 1 . . . . 32 ILE HD1 . 15108 1
235 . 1 1 33 33 GLY H H 1 8.27 0.005 . 1 . . . . 33 GLY H . 15108 1
236 . 1 1 33 33 GLY HA2 H 1 3.94 0.005 . 1 . . . . 33 GLY HA2 . 15108 1
237 . 1 1 33 33 GLY HA3 H 1 3.67 0.005 . 1 . . . . 33 GLY HA3 . 15108 1
238 . 1 1 34 34 GLU H H 1 7.99 0.005 . 1 . . . . 34 GLU H . 15108 1
239 . 1 1 34 34 GLU HA H 1 4.18 0.005 . 1 . . . . 34 GLU HA . 15108 1
240 . 1 1 34 34 GLU HB2 H 1 2.20 0.005 . 1 . . . . 34 GLU HB2 . 15108 1
241 . 1 1 34 34 GLU HB3 H 1 2.10 0.005 . 1 . . . . 34 GLU HB3 . 15108 1
242 . 1 1 34 34 GLU HG2 H 1 2.45 0.005 . 1 . . . . 34 GLU HG2 . 15108 1
243 . 1 1 34 34 GLU HG3 H 1 2.39 0.005 . 1 . . . . 34 GLU HG3 . 15108 1
244 . 1 1 35 35 GLY H H 1 8.27 0.005 . 1 . . . . 35 GLY H . 15108 1
245 . 1 1 35 35 GLY HA2 H 1 3.94 0.005 . 1 . . . . 35 GLY HA2 . 15108 1
246 . 1 1 35 35 GLY HA3 H 1 3.67 0.005 . 1 . . . . 35 GLY HA3 . 15108 1
247 . 1 1 36 36 VAL H H 1 8.53 0.005 . 1 . . . . 36 VAL H . 15108 1
248 . 1 1 36 36 VAL HA H 1 3.67 0.005 . 1 . . . . 36 VAL HA . 15108 1
249 . 1 1 36 36 VAL HB H 1 2.26 0.005 . 1 . . . . 36 VAL HB . 15108 1
250 . 1 1 36 36 VAL HG11 H 1 1.07 0.005 . 2 . . . . 36 VAL HG1 . 15108 1
251 . 1 1 36 36 VAL HG12 H 1 1.07 0.005 . 2 . . . . 36 VAL HG1 . 15108 1
252 . 1 1 36 36 VAL HG13 H 1 1.07 0.005 . 2 . . . . 36 VAL HG1 . 15108 1
253 . 1 1 36 36 VAL HG21 H 1 0.99 0.005 . 2 . . . . 36 VAL HG2 . 15108 1
254 . 1 1 36 36 VAL HG22 H 1 0.99 0.005 . 2 . . . . 36 VAL HG2 . 15108 1
255 . 1 1 36 36 VAL HG23 H 1 0.99 0.005 . 2 . . . . 36 VAL HG2 . 15108 1
256 . 1 1 37 37 ASP H H 1 8.16 0.005 . 1 . . . . 37 ASP H . 15108 1
257 . 1 1 37 37 ASP HA H 1 4.42 0.005 . 1 . . . . 37 ASP HA . 15108 1
258 . 1 1 37 37 ASP HB2 H 1 3.00 0.005 . 1 . . . . 37 ASP HB2 . 15108 1
259 . 1 1 37 37 ASP HB3 H 1 2.88 0.005 . 1 . . . . 37 ASP HB3 . 15108 1
260 . 1 1 38 38 TYR H H 1 8.06 0.005 . 1 . . . . 38 TYR H . 15108 1
261 . 1 1 38 38 TYR HA H 1 4.31 0.005 . 1 . . . . 38 TYR HA . 15108 1
262 . 1 1 38 38 TYR HB2 H 1 3.24 0.005 . 1 . . . . 38 TYR HB2 . 15108 1
263 . 1 1 38 38 TYR HB3 H 1 3.24 0.005 . 1 . . . . 38 TYR HB3 . 15108 1
264 . 1 1 38 38 TYR HD1 H 1 7.10 0.005 . 1 . . . . 38 TYR HD1 . 15108 1
265 . 1 1 38 38 TYR HD2 H 1 7.10 0.005 . 1 . . . . 38 TYR HD2 . 15108 1
266 . 1 1 38 38 TYR HE1 H 1 6.83 0.005 . 1 . . . . 38 TYR HE1 . 15108 1
267 . 1 1 38 38 TYR HE2 H 1 6.83 0.005 . 1 . . . . 38 TYR HE2 . 15108 1
268 . 1 1 39 39 LEU H H 1 7.97 0.005 . 1 . . . . 39 LEU H . 15108 1
269 . 1 1 39 39 LEU HA H 1 3.99 0.005 . 1 . . . . 39 LEU HA . 15108 1
270 . 1 1 39 39 LEU HB2 H 1 1.99 0.005 . 1 . . . . 39 LEU HB2 . 15108 1
271 . 1 1 39 39 LEU HB3 H 1 1.99 0.005 . 1 . . . . 39 LEU HB3 . 15108 1
272 . 1 1 39 39 LEU HG H 1 1.62 0.005 . 1 . . . . 39 LEU HG . 15108 1
273 . 1 1 39 39 LEU HD11 H 1 0.97 0.005 . 2 . . . . 39 LEU HD1 . 15108 1
274 . 1 1 39 39 LEU HD12 H 1 0.97 0.005 . 2 . . . . 39 LEU HD1 . 15108 1
275 . 1 1 39 39 LEU HD13 H 1 0.97 0.005 . 2 . . . . 39 LEU HD1 . 15108 1
276 . 1 1 39 39 LEU HD21 H 1 0.97 0.005 . 2 . . . . 39 LEU HD2 . 15108 1
277 . 1 1 39 39 LEU HD22 H 1 0.97 0.005 . 2 . . . . 39 LEU HD2 . 15108 1
278 . 1 1 39 39 LEU HD23 H 1 0.97 0.005 . 2 . . . . 39 LEU HD2 . 15108 1
279 . 1 1 40 40 LEU H H 1 8.03 0.005 . 1 . . . . 40 LEU H . 15108 1
280 . 1 1 40 40 LEU HA H 1 4.26 0.005 . 1 . . . . 40 LEU HA . 15108 1
281 . 1 1 40 40 LEU HB2 H 1 1.86 0.005 . 1 . . . . 40 LEU HB2 . 15108 1
282 . 1 1 40 40 LEU HB3 H 1 1.86 0.005 . 1 . . . . 40 LEU HB3 . 15108 1
283 . 1 1 40 40 LEU HG H 1 1.63 0.005 . 1 . . . . 40 LEU HG . 15108 1
284 . 1 1 40 40 LEU HD11 H 1 0.98 0.005 . 2 . . . . 40 LEU HD1 . 15108 1
285 . 1 1 40 40 LEU HD12 H 1 0.98 0.005 . 2 . . . . 40 LEU HD1 . 15108 1
286 . 1 1 40 40 LEU HD13 H 1 0.98 0.005 . 2 . . . . 40 LEU HD1 . 15108 1
287 . 1 1 40 40 LEU HD21 H 1 0.90 0.005 . 2 . . . . 40 LEU HD2 . 15108 1
288 . 1 1 40 40 LEU HD22 H 1 0.90 0.005 . 2 . . . . 40 LEU HD2 . 15108 1
289 . 1 1 40 40 LEU HD23 H 1 0.90 0.005 . 2 . . . . 40 LEU HD2 . 15108 1
290 . 1 1 41 41 GLY H H 1 7.77 0.005 . 1 . . . . 41 GLY H . 15108 1
291 . 1 1 41 41 GLY HA2 H 1 4.00 0.005 . 1 . . . . 41 GLY HA2 . 15108 1
292 . 1 1 41 41 GLY HA3 H 1 3.94 0.005 . 1 . . . . 41 GLY HA3 . 15108 1
293 . 1 1 42 42 ASP H H 1 8.11 0.005 . 1 . . . . 42 ASP H . 15108 1
294 . 1 1 42 42 ASP HA H 1 4.73 0.005 . 1 . . . . 42 ASP HA . 15108 1
295 . 1 1 42 42 ASP HB2 H 1 2.89 0.005 . 1 . . . . 42 ASP HB2 . 15108 1
296 . 1 1 42 42 ASP HB3 H 1 2.77 0.005 . 1 . . . . 42 ASP HB3 . 15108 1
297 . 1 1 43 43 GLU H H 1 8.03 0.005 . 1 . . . . 43 GLU H . 15108 1
298 . 1 1 43 43 GLU HA H 1 4.33 0.005 . 1 . . . . 43 GLU HA . 15108 1
299 . 1 1 43 43 GLU HB2 H 1 2.18 0.005 . 1 . . . . 43 GLU HB2 . 15108 1
300 . 1 1 43 43 GLU HB3 H 1 2.01 0.005 . 1 . . . . 43 GLU HB3 . 15108 1
301 . 1 1 43 43 GLU HG2 H 1 2.45 0.005 . 1 . . . . 43 GLU HG2 . 15108 1
302 . 1 1 43 43 GLU HG3 H 1 2.45 0.005 . 1 . . . . 43 GLU HG3 . 15108 1
303 . 1 1 44 44 ALA H H 1 7.98 0.005 . 1 . . . . 44 ALA H . 15108 1
304 . 1 1 44 44 ALA HA H 1 4.33 0.005 . 1 . . . . 44 ALA HA . 15108 1
305 . 1 1 44 44 ALA HB1 H 1 1.43 0.005 . 1 . . . . 44 ALA HB . 15108 1
306 . 1 1 44 44 ALA HB2 H 1 1.43 0.005 . 1 . . . . 44 ALA HB . 15108 1
307 . 1 1 44 44 ALA HB3 H 1 1.43 0.005 . 1 . . . . 44 ALA HB . 15108 1
308 . 1 1 45 45 GLN H H 1 7.94 0.005 . 1 . . . . 45 GLN H . 15108 1
309 . 1 1 45 45 GLN HA H 1 4.34 0.005 . 1 . . . . 45 GLN HA . 15108 1
310 . 1 1 45 45 GLN HB2 H 1 2.00 0.005 . 1 . . . . 45 GLN HB2 . 15108 1
311 . 1 1 45 45 GLN HB3 H 1 2.18 0.005 . 1 . . . . 45 GLN HB3 . 15108 1
312 . 1 1 45 45 GLN HG2 H 1 2.25 0.005 . 1 . . . . 45 GLN HG2 . 15108 1
313 . 1 1 45 45 GLN HG3 H 1 2.25 0.005 . 1 . . . . 45 GLN HG3 . 15108 1
314 . 1 1 46 46 ALA H H 1 7.90 0.005 . 1 . . . . 46 ALA H . 15108 1
315 . 1 1 46 46 ALA HA H 1 4.18 0.005 . 1 . . . . 46 ALA HA . 15108 1
316 . 1 1 46 46 ALA HB1 H 1 1.59 0.005 . 1 . . . . 46 ALA HB . 15108 1
317 . 1 1 46 46 ALA HB2 H 1 1.59 0.005 . 1 . . . . 46 ALA HB . 15108 1
318 . 1 1 46 46 ALA HB3 H 1 1.59 0.005 . 1 . . . . 46 ALA HB . 15108 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 31 15108 1
1 32 15108 1
1 33 15108 1
1 34 15108 1
1 35 15108 1
1 36 15108 1
stop_
save_