###################################
# 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 17331
_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 '2D 1H-1H TOCSY' . . . 17331 1
2 '2D 1H-1H NOESY' . . . 17331 1
3 '2D DQF-COSY' . . . 17331 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 TYR HA H 1 4.227 0.000 . 1 . . . . 1 Y HA . 17331 1
2 . 1 1 1 1 TYR HB2 H 1 3.174 0.001 . 2 . . . . 1 Y HB2 . 17331 1
3 . 1 1 1 1 TYR HB3 H 1 3.078 0.000 . 2 . . . . 1 Y HB3 . 17331 1
4 . 1 1 1 1 TYR HD1 H 1 7.162 0.001 . 3 . . . . 1 Y QD . 17331 1
5 . 1 1 1 1 TYR HD2 H 1 7.162 0.001 . 3 . . . . 1 Y QD . 17331 1
6 . 1 1 1 1 TYR HE1 H 1 6.856 0.001 . 3 . . . . 1 Y QE . 17331 1
7 . 1 1 1 1 TYR HE2 H 1 6.856 0.001 . 3 . . . . 1 Y QE . 17331 1
8 . 1 1 2 2 ALA H H 1 8.561 0.001 . 1 . . . . 2 A H . 17331 1
9 . 1 1 2 2 ALA HA H 1 4.431 0.000 . 1 . . . . 2 A HA . 17331 1
10 . 1 1 2 2 ALA HB1 H 1 1.402 0.001 . . . . . . 2 A QB . 17331 1
11 . 1 1 2 2 ALA HB2 H 1 1.402 0.001 . . . . . . 2 A QB . 17331 1
12 . 1 1 2 2 ALA HB3 H 1 1.402 0.001 . . . . . . 2 A QB . 17331 1
13 . 1 1 3 3 GLU H H 1 8.539 0.001 . 1 . . . . 3 E H . 17331 1
14 . 1 1 3 3 GLU HA H 1 4.254 0.003 . 1 . . . . 3 E HA . 17331 1
15 . 1 1 3 3 GLU HB2 H 1 2.132 0.000 . 2 . . . . 3 E HB2 . 17331 1
16 . 1 1 3 3 GLU HB3 H 1 2.076 0.000 . 2 . . . . 3 E HB3 . 17331 1
17 . 1 1 3 3 GLU HG2 H 1 2.495 0.000 . 2 . . . . 3 E QG . 17331 1
18 . 1 1 3 3 GLU HG3 H 1 2.495 0.000 . 2 . . . . 3 E QG . 17331 1
19 . 1 1 4 4 GLY H H 1 8.538 0.001 . 1 . . . . 4 G H . 17331 1
20 . 1 1 4 4 GLY HA2 H 1 4.019 0.001 . 2 . . . . 4 G HA2 . 17331 1
21 . 1 1 4 4 GLY HA3 H 1 3.953 0.000 . 2 . . . . 4 G HA3 . 17331 1
22 . 1 1 5 5 THR H H 1 7.860 0.001 . 1 . . . . 5 T H . 17331 1
23 . 1 1 5 5 THR HA H 1 4.215 0.001 . 1 . . . . 5 T HA . 17331 1
24 . 1 1 5 5 THR HB H 1 4.195 0.000 . 1 . . . . 5 T HB . 17331 1
25 . 1 1 5 5 THR HG21 H 1 1.163 0.001 . . . . . . 5 T QG2 . 17331 1
26 . 1 1 5 5 THR HG22 H 1 1.163 0.001 . . . . . . 5 T QG2 . 17331 1
27 . 1 1 5 5 THR HG23 H 1 1.163 0.001 . . . . . . 5 T QG2 . 17331 1
28 . 1 1 6 6 PHE H H 1 8.309 0.001 . 1 . . . . 6 F H . 17331 1
29 . 1 1 6 6 PHE HA H 1 4.440 0.001 . 1 . . . . 6 F HA . 17331 1
30 . 1 1 6 6 PHE HB2 H 1 3.194 0.000 . 2 . . . . 6 F QB . 17331 1
31 . 1 1 6 6 PHE HB3 H 1 3.194 0.000 . 2 . . . . 6 F QB . 17331 1
32 . 1 1 6 6 PHE HD1 H 1 7.251 0.001 . 3 . . . . 6 F QD . 17331 1
33 . 1 1 6 6 PHE HD2 H 1 7.251 0.001 . 3 . . . . 6 F QD . 17331 1
34 . 1 1 6 6 PHE HE1 H 1 7.214 0.002 . 3 . . . . 6 F QE . 17331 1
35 . 1 1 6 6 PHE HE2 H 1 7.214 0.002 . 3 . . . . 6 F QE . 17331 1
36 . 1 1 7 7 ILE H H 1 8.043 0.002 . 1 . . . . 7 I H . 17331 1
37 . 1 1 7 7 ILE HA H 1 4.306 0.004 . 1 . . . . 7 I HA . 17331 1
38 . 1 1 7 7 ILE HB H 1 1.889 0.000 . 1 . . . . 7 I HB . 17331 1
39 . 1 1 7 7 ILE HG12 H 1 1.589 0.003 . 2 . . . . 7 I HG12 . 17331 1
40 . 1 1 7 7 ILE HG13 H 1 1.218 0.004 . 2 . . . . 7 I HG13 . 17331 1
41 . 1 1 7 7 ILE HG21 H 1 0.916 0.000 . . . . . . 7 I QG2 . 17331 1
42 . 1 1 7 7 ILE HG22 H 1 0.916 0.000 . . . . . . 7 I QG2 . 17331 1
43 . 1 1 7 7 ILE HG23 H 1 0.916 0.000 . . . . . . 7 I QG2 . 17331 1
44 . 1 1 7 7 ILE HD11 H 1 0.873 0.001 . . . . . . 7 I QD1 . 17331 1
45 . 1 1 7 7 ILE HD12 H 1 0.873 0.001 . . . . . . 7 I QD1 . 17331 1
46 . 1 1 7 7 ILE HD13 H 1 0.873 0.001 . . . . . . 7 I QD1 . 17331 1
47 . 1 1 8 8 SER H H 1 8.038 0.001 . 1 . . . . 8 S H . 17331 1
48 . 1 1 8 8 SER HA H 1 3.964 0.001 . 1 . . . . 8 S HA . 17331 1
49 . 1 1 8 8 SER HB2 H 1 3.909 0.003 . 2 . . . . 8 S HB2 . 17331 1
50 . 1 1 8 8 SER HB3 H 1 3.875 0.001 . 2 . . . . 8 S HB3 . 17331 1
51 . 1 1 9 9 ASP H H 1 8.313 0.000 . 1 . . . . 9 D H . 17331 1
52 . 1 1 9 9 ASP HA H 1 4.309 0.000 . 1 . . . . 9 D HA . 17331 1
53 . 1 1 9 9 ASP HB2 H 1 2.654 0.000 . 2 . . . . 9 D QB . 17331 1
54 . 1 1 9 9 ASP HB3 H 1 2.654 0.000 . 2 . . . . 9 D QB . 17331 1
55 . 1 1 10 10 TYR H H 1 8.228 0.002 . 1 . . . . 10 Y H . 17331 1
56 . 1 1 10 10 TYR HA H 1 4.173 0.000 . 1 . . . . 10 Y HA . 17331 1
57 . 1 1 10 10 TYR HB2 H 1 3.062 0.001 . 2 . . . . 10 Y HB2 . 17331 1
58 . 1 1 10 10 TYR HB3 H 1 2.817 0.001 . 2 . . . . 10 Y HB3 . 17331 1
59 . 1 1 10 10 TYR HD1 H 1 6.955 0.003 . 3 . . . . 10 Y QD . 17331 1
60 . 1 1 10 10 TYR HD2 H 1 6.955 0.003 . 3 . . . . 10 Y QD . 17331 1
61 . 1 1 10 10 TYR HE1 H 1 6.738 0.001 . 3 . . . . 10 Y QE . 17331 1
62 . 1 1 10 10 TYR HE2 H 1 6.738 0.001 . 3 . . . . 10 Y QE . 17331 1
63 . 1 1 11 11 SER H H 1 8.010 0.001 . 1 . . . . 11 S H . 17331 1
64 . 1 1 11 11 SER HA H 1 4.089 0.001 . 1 . . . . 11 S HA . 17331 1
65 . 1 1 11 11 SER HB2 H 1 3.997 0.002 . 2 . . . . 11 S HB2 . 17331 1
66 . 1 1 11 11 SER HB3 H 1 3.918 0.000 . 2 . . . . 11 S HB3 . 17331 1
67 . 1 1 12 12 ILE H H 1 7.844 0.001 . 1 . . . . 12 I H . 17331 1
68 . 1 1 12 12 ILE HA H 1 3.917 0.000 . 1 . . . . 12 I HA . 17331 1
69 . 1 1 12 12 ILE HB H 1 1.882 0.000 . 1 . . . . 12 I HB . 17331 1
70 . 1 1 12 12 ILE HG12 H 1 1.657 0.001 . 2 . . . . 12 I HG12 . 17331 1
71 . 1 1 12 12 ILE HG13 H 1 1.367 0.001 . 2 . . . . 12 I HG13 . 17331 1
72 . 1 1 12 12 ILE HG21 H 1 0.885 0.001 . . . . . . 12 I QG2 . 17331 1
73 . 1 1 12 12 ILE HG22 H 1 0.885 0.001 . . . . . . 12 I QG2 . 17331 1
74 . 1 1 12 12 ILE HG23 H 1 0.885 0.001 . . . . . . 12 I QG2 . 17331 1
75 . 1 1 12 12 ILE HD11 H 1 0.868 0.001 . . . . . . 12 I QD1 . 17331 1
76 . 1 1 12 12 ILE HD12 H 1 0.868 0.001 . . . . . . 12 I QD1 . 17331 1
77 . 1 1 12 12 ILE HD13 H 1 0.868 0.001 . . . . . . 12 I QD1 . 17331 1
78 . 1 1 13 13 ALA H H 1 7.886 0.001 . 1 . . . . 13 A H . 17331 1
79 . 1 1 13 13 ALA HA H 1 4.026 0.001 . 1 . . . . 13 A HA . 17331 1
80 . 1 1 13 13 ALA HB1 H 1 1.365 0.000 . . . . . . 13 A QB . 17331 1
81 . 1 1 13 13 ALA HB2 H 1 1.365 0.000 . . . . . . 13 A QB . 17331 1
82 . 1 1 13 13 ALA HB3 H 1 1.365 0.000 . . . . . . 13 A QB . 17331 1
83 . 1 1 14 14 MET H H 1 8.048 0.001 . 1 . . . . 14 M H . 17331 1
84 . 1 1 14 14 MET HA H 1 4.544 0.000 . 1 . . . . 14 M HA . 17331 1
85 . 1 1 14 14 MET HB2 H 1 1.942 0.001 . 2 . . . . 14 M QB . 17331 1
86 . 1 1 14 14 MET HB3 H 1 1.942 0.001 . 2 . . . . 14 M QB . 17331 1
87 . 1 1 14 14 MET HG2 H 1 2.431 0.001 . 2 . . . . 14 M QG . 17331 1
88 . 1 1 14 14 MET HG3 H 1 2.431 0.001 . 2 . . . . 14 M QG . 17331 1
89 . 1 1 14 14 MET HE1 H 1 2.252 0.002 . . . . . . 14 M QE . 17331 1
90 . 1 1 14 14 MET HE2 H 1 2.252 0.002 . . . . . . 14 M QE . 17331 1
91 . 1 1 14 14 MET HE3 H 1 2.252 0.002 . . . . . . 14 M QE . 17331 1
92 . 1 1 15 15 ASP H H 1 8.003 0.001 . 1 . . . . 15 D H . 17331 1
93 . 1 1 15 15 ASP HA H 1 4.618 0.000 . 1 . . . . 15 D HA . 17331 1
94 . 1 1 15 15 ASP HB2 H 1 3.042 0.000 . 2 . . . . 15 D HB2 . 17331 1
95 . 1 1 15 15 ASP HB3 H 1 2.912 0.000 . 2 . . . . 15 D HB3 . 17331 1
96 . 1 1 16 16 LYS H H 1 8.005 0.002 . 1 . . . . 16 K H . 17331 1
97 . 1 1 16 16 LYS HA H 1 4.128 0.000 . 1 . . . . 16 K HA . 17331 1
98 . 1 1 16 16 LYS HB2 H 1 1.831 0.000 . 2 . . . . 16 K QB . 17331 1
99 . 1 1 16 16 LYS HB3 H 1 1.831 0.000 . 2 . . . . 16 K QB . 17331 1
100 . 1 1 16 16 LYS HG2 H 1 1.498 0.007 . 2 . . . . 16 K QG . 17331 1
101 . 1 1 16 16 LYS HG3 H 1 1.498 0.007 . 2 . . . . 16 K QG . 17331 1
102 . 1 1 16 16 LYS HD2 H 1 1.527 0.000 . 2 . . . . 16 K QD . 17331 1
103 . 1 1 16 16 LYS HD3 H 1 1.527 0.000 . 2 . . . . 16 K QD . 17331 1
104 . 1 1 17 17 ILE H H 1 7.724 0.001 . 1 . . . . 17 I H . 17331 1
105 . 1 1 17 17 ILE HA H 1 3.890 0.000 . 1 . . . . 17 I HA . 17331 1
106 . 1 1 17 17 ILE HB H 1 1.874 0.002 . 1 . . . . 17 I HB . 17331 1
107 . 1 1 17 17 ILE HG12 H 1 1.127 0.002 . . . . . . 17 I QG1 . 17331 1
108 . 1 1 17 17 ILE HG13 H 1 1.127 0.002 . . . . . . 17 I QG1 . 17331 1
109 . 1 1 17 17 ILE HG21 H 1 0.772 0.002 . . . . . . 17 I QG2 . 17331 1
110 . 1 1 17 17 ILE HG22 H 1 0.772 0.002 . . . . . . 17 I QG2 . 17331 1
111 . 1 1 17 17 ILE HG23 H 1 0.772 0.002 . . . . . . 17 I QG2 . 17331 1
112 . 1 1 17 17 ILE HD11 H 1 0.877 0.006 . . . . . . 17 I QD1 . 17331 1
113 . 1 1 17 17 ILE HD12 H 1 0.877 0.006 . . . . . . 17 I QD1 . 17331 1
114 . 1 1 17 17 ILE HD13 H 1 0.877 0.006 . . . . . . 17 I QD1 . 17331 1
115 . 1 1 18 18 HIS H H 1 8.075 0.002 . 1 . . . . 18 H H . 17331 1
116 . 1 1 18 18 HIS HA H 1 4.705 0.006 . 1 . . . . 18 H HA . 17331 1
117 . 1 1 18 18 HIS HB2 H 1 3.433 0.000 . 2 . . . . 18 H HB2 . 17331 1
118 . 1 1 18 18 HIS HB3 H 1 3.274 0.000 . 2 . . . . 18 H HB3 . 17331 1
119 . 1 1 18 18 HIS HD2 H 1 7.366 0.000 . 1 . . . . 18 H HD2 . 17331 1
120 . 1 1 19 19 GLN H H 1 8.327 0.002 . 1 . . . . 19 Q H . 17331 1
121 . 1 1 19 19 GLN HA H 1 4.443 0.000 . 1 . . . . 19 Q HA . 17331 1
122 . 1 1 19 19 GLN HB2 H 1 2.112 0.002 . 2 . . . . 19 Q QB . 17331 1
123 . 1 1 19 19 GLN HB3 H 1 2.112 0.002 . 2 . . . . 19 Q QB . 17331 1
124 . 1 1 19 19 GLN HG2 H 1 2.458 0.001 . 2 . . . . 19 Q QG . 17331 1
125 . 1 1 19 19 GLN HG3 H 1 2.458 0.001 . 2 . . . . 19 Q QG . 17331 1
126 . 1 1 20 20 GLN H H 1 8.517 0.002 . 1 . . . . 20 Q H . 17331 1
127 . 1 1 20 20 GLN HA H 1 4.124 0.001 . 1 . . . . 20 Q HA . 17331 1
128 . 1 1 20 20 GLN HB2 H 1 2.174 0.004 . 2 . . . . 20 Q QB . 17331 1
129 . 1 1 20 20 GLN HB3 H 1 2.174 0.004 . 2 . . . . 20 Q QB . 17331 1
130 . 1 1 20 20 GLN HG2 H 1 2.446 0.004 . 2 . . . . 20 Q QG . 17331 1
131 . 1 1 20 20 GLN HG3 H 1 2.446 0.004 . 2 . . . . 20 Q QG . 17331 1
132 . 1 1 20 20 GLN HE21 H 1 6.835 0.001 . 2 . . . . 20 Q HE21 . 17331 1
133 . 1 1 20 20 GLN HE22 H 1 7.472 0.000 . 2 . . . . 20 Q HE22 . 17331 1
134 . 1 1 21 21 ASP H H 1 8.318 0.006 . 1 . . . . 21 D H . 17331 1
135 . 1 1 21 21 ASP HA H 1 4.628 0.001 . 1 . . . . 21 D HA . 17331 1
136 . 1 1 21 21 ASP HB2 H 1 2.988 0.001 . 2 . . . . 21 D HB2 . 17331 1
137 . 1 1 21 21 ASP HB3 H 1 2.902 0.002 . 2 . . . . 21 D HB3 . 17331 1
138 . 1 1 22 22 PHE H H 1 8.143 0.001 . 1 . . . . 22 F H . 17331 1
139 . 1 1 22 22 PHE HA H 1 4.502 0.001 . 1 . . . . 22 F HA . 17331 1
140 . 1 1 22 22 PHE HB2 H 1 3.287 0.000 . 2 . . . . 22 F QB . 17331 1
141 . 1 1 22 22 PHE HB3 H 1 3.287 0.000 . 2 . . . . 22 F QB . 17331 1
142 . 1 1 22 22 PHE HD1 H 1 7.255 0.002 . 3 . . . . 22 F QD . 17331 1
143 . 1 1 22 22 PHE HD2 H 1 7.255 0.002 . 3 . . . . 22 F QD . 17331 1
144 . 1 1 22 22 PHE HE1 H 1 7.220 0.001 . 3 . . . . 22 F QE . 17331 1
145 . 1 1 22 22 PHE HE2 H 1 7.220 0.001 . 3 . . . . 22 F QE . 17331 1
146 . 1 1 23 23 VAL H H 1 8.230 0.001 . 1 . . . . 23 V H . 17331 1
147 . 1 1 23 23 VAL HA H 1 3.480 0.001 . 1 . . . . 23 V HA . 17331 1
148 . 1 1 23 23 VAL HB H 1 2.191 0.003 . 1 . . . . 23 V HB . 17331 1
149 . 1 1 23 23 VAL HG11 H 1 1.133 0.002 . . . . . . 23 V QG1 . 17331 1
150 . 1 1 23 23 VAL HG12 H 1 1.133 0.002 . . . . . . 23 V QG1 . 17331 1
151 . 1 1 23 23 VAL HG13 H 1 1.133 0.002 . . . . . . 23 V QG1 . 17331 1
152 . 1 1 23 23 VAL HG21 H 1 0.986 0.001 . . . . . . 23 V QG2 . 17331 1
153 . 1 1 23 23 VAL HG22 H 1 0.986 0.001 . . . . . . 23 V QG2 . 17331 1
154 . 1 1 23 23 VAL HG23 H 1 0.986 0.001 . . . . . . 23 V QG2 . 17331 1
155 . 1 1 24 24 ASN H H 1 8.331 0.005 . 1 . . . . 24 N H . 17331 1
156 . 1 1 24 24 ASN HA H 1 4.504 0.003 . 1 . . . . 24 N HA . 17331 1
157 . 1 1 24 24 ASN HB2 H 1 2.951 0.002 . 2 . . . . 24 N HB2 . 17331 1
158 . 1 1 24 24 ASN HB3 H 1 2.827 0.002 . 2 . . . . 24 N HB3 . 17331 1
159 . 1 1 24 24 ASN HD21 H 1 6.913 0.002 . 2 . . . . 24 N HD21 . 17331 1
160 . 1 1 24 24 ASN HD22 H 1 7.675 0.001 . 2 . . . . 24 N HD22 . 17331 1
161 . 1 1 25 25 TRP H H 1 8.022 0.001 . 1 . . . . 25 W H . 17331 1
162 . 1 1 25 25 TRP HA H 1 4.241 0.000 . 1 . . . . 25 W HA . 17331 1
163 . 1 1 25 25 TRP HB2 H 1 3.556 0.000 . 2 . . . . 25 W HB2 . 17331 1
164 . 1 1 25 25 TRP HB3 H 1 3.323 0.001 . 2 . . . . 25 W HB3 . 17331 1
165 . 1 1 25 25 TRP HD1 H 1 7.317 0.001 . 1 . . . . 25 W HD1 . 17331 1
166 . 1 1 25 25 TRP HE1 H 1 10.306 0.000 . 1 . . . . 25 W HE1 . 17331 1
167 . 1 1 25 25 TRP HE3 H 1 7.288 0.001 . 1 . . . . 25 W HE3 . 17331 1
168 . 1 1 25 25 TRP HZ2 H 1 7.403 0.003 . 1 . . . . 25 W HZ2 . 17331 1
169 . 1 1 25 25 TRP HZ3 H 1 6.857 0.002 . 1 . . . . 25 W HZ3 . 17331 1
170 . 1 1 25 25 TRP HH2 H 1 7.010 0.002 . 1 . . . . 25 W HH2 . 17331 1
171 . 1 1 26 26 LEU H H 1 8.272 0.003 . 1 . . . . 26 L H . 17331 1
172 . 1 1 26 26 LEU HA H 1 3.478 0.000 . 1 . . . . 26 L HA . 17331 1
173 . 1 1 26 26 LEU HB2 H 1 1.688 0.002 . 2 . . . . 26 L QB . 17331 1
174 . 1 1 26 26 LEU HB3 H 1 1.688 0.002 . 2 . . . . 26 L QB . 17331 1
175 . 1 1 26 26 LEU HG H 1 1.491 0.001 . 1 . . . . 26 L HG . 17331 1
176 . 1 1 26 26 LEU HD11 H 1 0.836 0.000 . . . . . . 26 L QD1 . 17331 1
177 . 1 1 26 26 LEU HD12 H 1 0.836 0.000 . . . . . . 26 L QD1 . 17331 1
178 . 1 1 26 26 LEU HD13 H 1 0.836 0.000 . . . . . . 26 L QD1 . 17331 1
179 . 1 1 26 26 LEU HD21 H 1 0.776 0.001 . . . . . . 26 L QD2 . 17331 1
180 . 1 1 26 26 LEU HD22 H 1 0.776 0.001 . . . . . . 26 L QD2 . 17331 1
181 . 1 1 26 26 LEU HD23 H 1 0.776 0.001 . . . . . . 26 L QD2 . 17331 1
182 . 1 1 27 27 LEU H H 1 8.176 0.001 . 1 . . . . 27 L H . 17331 1
183 . 1 1 27 27 LEU HA H 1 3.971 0.000 . 1 . . . . 27 L HA . 17331 1
184 . 1 1 27 27 LEU HB2 H 1 1.840 0.001 . 2 . . . . 27 L QB . 17331 1
185 . 1 1 27 27 LEU HB3 H 1 1.840 0.001 . 2 . . . . 27 L QB . 17331 1
186 . 1 1 27 27 LEU HG H 1 1.526 0.001 . 1 . . . . 27 L HG . 17331 1
187 . 1 1 27 27 LEU HD11 H 1 0.899 0.001 . . . . . . 27 L QD1 . 17331 1
188 . 1 1 27 27 LEU HD12 H 1 0.899 0.001 . . . . . . 27 L QD1 . 17331 1
189 . 1 1 27 27 LEU HD13 H 1 0.899 0.001 . . . . . . 27 L QD1 . 17331 1
190 . 1 1 27 27 LEU HD21 H 1 0.835 0.000 . . . . . . 27 L QD2 . 17331 1
191 . 1 1 27 27 LEU HD22 H 1 0.835 0.000 . . . . . . 27 L QD2 . 17331 1
192 . 1 1 27 27 LEU HD23 H 1 0.835 0.000 . . . . . . 27 L QD2 . 17331 1
193 . 1 1 28 28 ALA H H 1 7.632 0.001 . 1 . . . . 28 A H . 17331 1
194 . 1 1 28 28 ALA HA H 1 4.166 0.000 . 1 . . . . 28 A HA . 17331 1
195 . 1 1 28 28 ALA HB1 H 1 1.402 0.001 . . . . . . 28 A QB . 17331 1
196 . 1 1 28 28 ALA HB2 H 1 1.402 0.001 . . . . . . 28 A QB . 17331 1
197 . 1 1 28 28 ALA HB3 H 1 1.402 0.001 . . . . . . 28 A QB . 17331 1
198 . 1 1 29 29 GLN H H 1 7.691 0.002 . 1 . . . . 29 Q H . 17331 1
199 . 1 1 29 29 GLN HA H 1 3.969 0.000 . 1 . . . . 29 Q HA . 17331 1
200 . 1 1 29 29 GLN HB2 H 1 1.865 0.000 . 2 . . . . 29 Q QB . 17331 1
201 . 1 1 29 29 GLN HB3 H 1 1.865 0.000 . 2 . . . . 29 Q QB . 17331 1
202 . 1 1 29 29 GLN HG2 H 1 1.960 0.009 . 2 . . . . 29 Q QG . 17331 1
203 . 1 1 29 29 GLN HG3 H 1 1.960 0.009 . 2 . . . . 29 Q QG . 17331 1
204 . 1 1 29 29 GLN HE21 H 1 6.387 0.002 . 2 . . . . 29 Q HE21 . 17331 1
205 . 1 1 29 29 GLN HE22 H 1 6.349 0.002 . 2 . . . . 29 Q HE22 . 17331 1
206 . 1 1 30 30 LYS H H 1 7.693 0.002 . 1 . . . . 30 K H . 17331 1
207 . 1 1 30 30 LYS HA H 1 4.104 0.000 . 1 . . . . 30 K HA . 17331 1
208 . 1 1 30 30 LYS HB2 H 1 1.752 0.003 . 2 . . . . 30 K QB . 17331 1
209 . 1 1 30 30 LYS HB3 H 1 1.752 0.003 . 2 . . . . 30 K QB . 17331 1
210 . 1 1 30 30 LYS HG2 H 1 1.462 0.003 . 2 . . . . 30 K QG . 17331 1
211 . 1 1 30 30 LYS HG3 H 1 1.462 0.003 . 2 . . . . 30 K QG . 17331 1
212 . 1 1 30 30 LYS HD2 H 1 1.643 0.002 . 2 . . . . 30 K QD . 17331 1
213 . 1 1 30 30 LYS HD3 H 1 1.643 0.002 . 2 . . . . 30 K QD . 17331 1
214 . 1 1 31 31 GLY H H 1 8.113 0.001 . 1 . . . . 31 G H . 17331 1
215 . 1 1 31 31 GLY HA2 H 1 3.947 0.002 . 2 . . . . 31 G HA2 . 17331 1
216 . 1 1 31 31 GLY HA3 H 1 3.898 0.001 . 2 . . . . 31 G HA3 . 17331 1
217 . 1 1 32 32 LYS H H 1 7.821 0.002 . 1 . . . . 32 K H . 17331 1
218 . 1 1 32 32 LYS HA H 1 4.277 0.000 . 1 . . . . 32 K HA . 17331 1
219 . 1 1 32 32 LYS HB2 H 1 1.827 0.000 . 2 . . . . 32 K HB2 . 17331 1
220 . 1 1 32 32 LYS HB3 H 1 1.743 0.000 . 2 . . . . 32 K HB3 . 17331 1
221 . 1 1 32 32 LYS HG2 H 1 1.361 0.004 . 2 . . . . 32 K QG . 17331 1
222 . 1 1 32 32 LYS HG3 H 1 1.361 0.004 . 2 . . . . 32 K QG . 17331 1
223 . 1 1 32 32 LYS HD2 H 1 1.436 0.000 . 2 . . . . 32 K QD . 17331 1
224 . 1 1 32 32 LYS HD3 H 1 1.436 0.000 . 2 . . . . 32 K QD . 17331 1
225 . 1 1 33 33 LYS H H 1 8.118 0.001 . 1 . . . . 33 K H . 17331 1
226 . 1 1 33 33 LYS HA H 1 4.191 0.000 . 1 . . . . 33 K HA . 17331 1
227 . 1 1 33 33 LYS HB2 H 1 1.842 0.000 . 2 . . . . 33 K HB2 . 17331 1
228 . 1 1 33 33 LYS HB3 H 1 1.787 0.001 . 2 . . . . 33 K HB3 . 17331 1
229 . 1 1 33 33 LYS HG2 H 1 1.403 0.002 . 2 . . . . 33 K QG . 17331 1
230 . 1 1 33 33 LYS HG3 H 1 1.403 0.002 . 2 . . . . 33 K QG . 17331 1
231 . 1 1 33 33 LYS HD2 H 1 1.721 0.001 . 2 . . . . 33 K QD . 17331 1
232 . 1 1 33 33 LYS HD3 H 1 1.721 0.001 . 2 . . . . 33 K QD . 17331 1
233 . 1 1 34 34 ASN H H 1 8.277 0.001 . 1 . . . . 34 N H . 17331 1
234 . 1 1 34 34 ASN HA H 1 4.605 0.000 . 1 . . . . 34 N HA . 17331 1
235 . 1 1 34 34 ASN HB2 H 1 2.657 0.000 . 2 . . . . 34 N QB . 17331 1
236 . 1 1 34 34 ASN HB3 H 1 2.657 0.000 . 2 . . . . 34 N QB . 17331 1
237 . 1 1 34 34 ASN HD21 H 1 6.787 0.001 . 2 . . . . 34 N HD21 . 17331 1
238 . 1 1 34 34 ASN HD22 H 1 7.466 0.001 . 2 . . . . 34 N HD22 . 17331 1
239 . 1 1 35 35 ASP H H 1 8.196 0.002 . 1 . . . . 35 D H . 17331 1
240 . 1 1 35 35 ASP HA H 1 4.604 0.001 . 1 . . . . 35 D HA . 17331 1
241 . 1 1 35 35 ASP HB2 H 1 2.774 0.001 . 2 . . . . 35 D HB2 . 17331 1
242 . 1 1 35 35 ASP HB3 H 1 2.713 0.000 . 2 . . . . 35 D HB3 . 17331 1
243 . 1 1 36 36 TRP H H 1 8.002 0.001 . 1 . . . . 36 W H . 17331 1
244 . 1 1 36 36 TRP HA H 1 4.594 0.000 . 1 . . . . 36 W HA . 17331 1
245 . 1 1 36 36 TRP HB2 H 1 3.280 0.002 . 2 . . . . 36 W QB . 17331 1
246 . 1 1 36 36 TRP HB3 H 1 3.280 0.002 . 2 . . . . 36 W QB . 17331 1
247 . 1 1 36 36 TRP HD1 H 1 7.291 0.002 . 1 . . . . 36 W HD1 . 17331 1
248 . 1 1 36 36 TRP HE1 H 1 10.239 0.001 . 1 . . . . 36 W HE1 . 17331 1
249 . 1 1 36 36 TRP HE3 H 1 7.577 0.003 . 1 . . . . 36 W HE3 . 17331 1
250 . 1 1 36 36 TRP HZ2 H 1 7.461 0.002 . 1 . . . . 36 W HZ2 . 17331 1
251 . 1 1 36 36 TRP HZ3 H 1 7.070 0.000 . 1 . . . . 36 W HZ3 . 17331 1
252 . 1 1 36 36 TRP HH2 H 1 7.144 0.001 . 1 . . . . 36 W HH2 . 17331 1
253 . 1 1 37 37 LYS H H 1 7.864 0.001 . 1 . . . . 37 K H . 17331 1
254 . 1 1 37 37 LYS HA H 1 4.090 0.001 . 1 . . . . 37 K HA . 17331 1
255 . 1 1 37 37 LYS HB2 H 1 1.617 0.014 . 2 . . . . 37 K QB . 17331 1
256 . 1 1 37 37 LYS HB3 H 1 1.617 0.014 . 2 . . . . 37 K QB . 17331 1
257 . 1 1 37 37 LYS HG2 H 1 1.409 0.003 . 2 . . . . 37 K QG . 17331 1
258 . 1 1 37 37 LYS HG3 H 1 1.409 0.003 . 2 . . . . 37 K QG . 17331 1
259 . 1 1 37 37 LYS HD2 H 1 1.523 0.000 . 2 . . . . 37 K QD . 17331 1
260 . 1 1 37 37 LYS HD3 H 1 1.523 0.000 . 2 . . . . 37 K QD . 17331 1
261 . 1 1 38 38 HIS H H 1 8.147 0.001 . 1 . . . . 38 H H . 17331 1
262 . 1 1 38 38 HIS HA H 1 4.606 0.001 . 1 . . . . 38 H HA . 17331 1
263 . 1 1 38 38 HIS HB2 H 1 3.236 0.003 . 2 . . . . 38 H HB2 . 17331 1
264 . 1 1 38 38 HIS HB3 H 1 3.100 0.000 . 2 . . . . 38 H HB3 . 17331 1
265 . 1 1 38 38 HIS HD2 H 1 7.249 0.000 . 1 . . . . 38 H HD2 . 17331 1
266 . 1 1 39 39 ASN H H 1 8.368 0.001 . 1 . . . . 39 N H . 17331 1
267 . 1 1 39 39 ASN HA H 1 4.698 0.001 . 1 . . . . 39 N HA . 17331 1
268 . 1 1 39 39 ASN HB2 H 1 2.815 0.001 . 2 . . . . 39 N HB2 . 17331 1
269 . 1 1 39 39 ASN HB3 H 1 2.733 0.002 . 2 . . . . 39 N HB3 . 17331 1
270 . 1 1 39 39 ASN HD21 H 1 6.871 0.001 . 2 . . . . 39 N HD21 . 17331 1
271 . 1 1 39 39 ASN HD22 H 1 7.518 0.000 . 2 . . . . 39 N HD22 . 17331 1
272 . 1 1 40 40 ILE H H 1 8.081 0.001 . 1 . . . . 40 I H . 17331 1
273 . 1 1 40 40 ILE HA H 1 4.357 0.000 . 1 . . . . 40 I HA . 17331 1
274 . 1 1 40 40 ILE HB H 1 1.925 0.003 . 1 . . . . 40 I HB . 17331 1
275 . 1 1 40 40 ILE HG12 H 1 1.470 0.003 . . . . . . 40 I QG1 . 17331 1
276 . 1 1 40 40 ILE HG13 H 1 1.470 0.003 . . . . . . 40 I QG1 . 17331 1
277 . 1 1 40 40 ILE HG21 H 1 0.869 0.000 . . . . . . 40 I QG2 . 17331 1
278 . 1 1 40 40 ILE HG22 H 1 0.869 0.000 . . . . . . 40 I QG2 . 17331 1
279 . 1 1 40 40 ILE HG23 H 1 0.869 0.000 . . . . . . 40 I QG2 . 17331 1
280 . 1 1 40 40 ILE HD11 H 1 0.912 0.000 . . . . . . 40 I QD1 . 17331 1
281 . 1 1 40 40 ILE HD12 H 1 0.912 0.000 . . . . . . 40 I QD1 . 17331 1
282 . 1 1 40 40 ILE HD13 H 1 0.912 0.000 . . . . . . 40 I QD1 . 17331 1
283 . 1 1 41 41 THR H H 1 8.077 0.002 . 1 . . . . 41 T H . 17331 1
284 . 1 1 41 41 THR HA H 1 4.251 0.000 . 1 . . . . 41 T HA . 17331 1
285 . 1 1 41 41 THR HB H 1 4.222 0.000 . 1 . . . . 41 T HB . 17331 1
286 . 1 1 41 41 THR HG21 H 1 1.199 0.004 . . . . . . 41 T QG2 . 17331 1
287 . 1 1 41 41 THR HG22 H 1 1.199 0.004 . . . . . . 41 T QG2 . 17331 1
288 . 1 1 41 41 THR HG23 H 1 1.199 0.004 . . . . . . 41 T QG2 . 17331 1
289 . 1 1 42 42 GLN H H 1 8.100 0.001 . 1 . . . . 42 Q H . 17331 1
290 . 1 1 42 42 GLN HA H 1 4.356 0.000 . 1 . . . . 42 Q HA . 17331 1
291 . 1 1 42 42 GLN HB2 H 1 2.138 0.001 . 2 . . . . 42 Q HB2 . 17331 1
292 . 1 1 42 42 GLN HB3 H 1 1.973 0.001 . 2 . . . . 42 Q HB3 . 17331 1
293 . 1 1 42 42 GLN HG2 H 1 2.325 0.000 . 2 . . . . 42 Q QG . 17331 1
294 . 1 1 42 42 GLN HG3 H 1 2.325 0.000 . 2 . . . . 42 Q QG . 17331 1
stop_
save_