###################################
# 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 17538
_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 NOESY' . . . 17538 1
2 '2D 1H-1H TOCSY' . . . 17538 1
5 '2D 1H-15N HSQC' . . . 17538 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 5 5 GLY HA3 H 1 3.926 0.000 . 2 . . . A 230 GLY HA3 . 17538 1
2 . 1 1 5 5 GLY H H 1 8.005 0.002 . 1 . . . A 230 GLY HN . 17538 1
3 . 1 1 5 5 GLY CA C 13 41.884 0.160 . 1 . . . A 230 GLY CA . 17538 1
4 . 1 1 5 5 GLY N N 15 110.167 0.017 . 1 . . . A 230 GLY N . 17538 1
5 . 1 1 6 6 PRO HA H 1 4.260 0.000 . 1 . . . A 231 PRO HA . 17538 1
6 . 1 1 6 6 PRO HB2 H 1 1.822 0.000 . 2 . . . A 231 PRO HB2 . 17538 1
7 . 1 1 6 6 PRO HG2 H 1 2.079 0.000 . 2 . . . A 231 PRO HG2 . 17538 1
8 . 1 1 6 6 PRO HD2 H 1 3.370 0.002 . 2 . . . A 231 PRO HD2 . 17538 1
9 . 1 1 6 6 PRO HD3 H 1 2.746 0.000 . 2 . . . A 231 PRO HD3 . 17538 1
10 . 1 1 6 6 PRO CA C 13 60.170 0.000 . 1 . . . A 231 PRO CA . 17538 1
11 . 1 1 6 6 PRO CB C 13 29.650 0.000 . 1 . . . A 231 PRO CB . 17538 1
12 . 1 1 7 7 LEU HA H 1 3.962 0.004 . 1 . . . A 232 LEU HA . 17538 1
13 . 1 1 7 7 LEU HB2 H 1 1.585 0.000 . 2 . . . A 232 LEU HB2 . 17538 1
14 . 1 1 7 7 LEU HG H 1 1.165 0.000 . 1 . . . A 232 LEU HG . 17538 1
15 . 1 1 7 7 LEU HD11 H 1 0.860 0.000 . 1 . . . A 232 LEU HD12 . 17538 1
16 . 1 1 7 7 LEU HD12 H 1 0.860 0.000 . 1 . . . A 232 LEU HD12 . 17538 1
17 . 1 1 7 7 LEU HD13 H 1 0.860 0.000 . 1 . . . A 232 LEU HD12 . 17538 1
18 . 1 1 7 7 LEU HD21 H 1 0.561 0.000 . 1 . . . A 232 LEU HD22 . 17538 1
19 . 1 1 7 7 LEU HD22 H 1 0.561 0.000 . 1 . . . A 232 LEU HD22 . 17538 1
20 . 1 1 7 7 LEU HD23 H 1 0.561 0.000 . 1 . . . A 232 LEU HD22 . 17538 1
21 . 1 1 7 7 LEU H H 1 8.585 0.000 . 1 . . . A 232 LEU HN . 17538 1
22 . 1 1 7 7 LEU CA C 13 51.060 0.004 . 1 . . . A 232 LEU CA . 17538 1
23 . 1 1 7 7 LEU CB C 13 38.370 0.000 . 1 . . . A 232 LEU CB . 17538 1
24 . 1 1 7 7 LEU N N 15 122.542 0.000 . 1 . . . A 232 LEU N . 17538 1
25 . 1 1 8 8 PRO HA H 1 4.288 0.000 . 1 . . . A 233 PRO HA . 17538 1
26 . 1 1 8 8 PRO HB2 H 1 2.231 0.000 . 1 . . . A 233 PRO HB2 . 17538 1
27 . 1 1 8 8 PRO HB3 H 1 1.796 0.000 . 2 . . . A 233 PRO HB3 . 17538 1
28 . 1 1 8 8 PRO HG2 H 1 1.580 0.000 . 2 . . . A 233 PRO HG2 . 17538 1
29 . 1 1 8 8 PRO HG3 H 1 1.381 0.000 . 2 . . . A 233 PRO HG3 . 17538 1
30 . 1 1 8 8 PRO HD2 H 1 3.192 0.000 . 2 . . . A 233 PRO HD2 . 17538 1
31 . 1 1 8 8 PRO HD3 H 1 2.756 0.000 . 2 . . . A 233 PRO HD3 . 17538 1
32 . 1 1 8 8 PRO CA C 13 59.649 0.000 . 1 . . . A 233 PRO CA . 17538 1
33 . 1 1 8 8 PRO CB C 13 28.869 0.000 . 1 . . . A 233 PRO CB . 17538 1
34 . 1 1 9 9 ASP HA H 1 4.198 0.001 . 1 . . . A 234 ASP HA . 17538 1
35 . 1 1 9 9 ASP HB2 H 1 2.509 0.000 . 1 . . . A 234 ASP HB2 . 17538 1
36 . 1 1 9 9 ASP HB3 H 1 2.391 0.000 . 1 . . . A 234 ASP HB3 . 17538 1
37 . 1 1 9 9 ASP H H 1 8.296 0.000 . 1 . . . A 234 ASP HN . 17538 1
38 . 1 1 9 9 ASP CA C 13 53.826 0.000 . 1 . . . A 234 ASP CA . 17538 1
39 . 1 1 9 9 ASP CB C 13 38.794 0.000 . 1 . . . A 234 ASP CB . 17538 1
40 . 1 1 9 9 ASP N N 15 119.934 0.000 . 1 . . . A 234 ASP N . 17538 1
41 . 1 1 10 10 GLY HA2 H 1 3.502 0.000 . 2 . . . A 235 GLY HA2 . 17538 1
42 . 1 1 10 10 GLY HA3 H 1 3.957 0.003 . 2 . . . A 235 GLY HA3 . 17538 1
43 . 1 1 10 10 GLY H H 1 8.645 0.006 . 1 . . . A 235 GLY HN . 17538 1
44 . 1 1 10 10 GLY CA C 13 42.827 0.000 . 1 . . . A 235 GLY CA . 17538 1
45 . 1 1 10 10 GLY N N 15 112.914 0.000 . 1 . . . A 235 GLY N . 17538 1
46 . 1 1 11 11 TRP HA H 1 5.602 0.003 . 1 . . . A 236 TRP HA . 17538 1
47 . 1 1 11 11 TRP HB2 H 1 3.087 0.000 . 2 . . . A 236 TRP HB2 . 17538 1
48 . 1 1 11 11 TRP HB3 H 1 2.784 0.005 . 2 . . . A 236 TRP HB3 . 17538 1
49 . 1 1 11 11 TRP HD1 H 1 6.820 0.001 . 1 . . . A 236 TRP HD1 . 17538 1
50 . 1 1 11 11 TRP HE1 H 1 10.256 0.000 . 1 . . . A 236 TRP HE1 . 17538 1
51 . 1 1 11 11 TRP HE3 H 1 7.187 0.001 . 1 . . . A 236 TRP HE3 . 17538 1
52 . 1 1 11 11 TRP HZ2 H 1 7.285 0.000 . 1 . . . A 236 TRP HZ2 . 17538 1
53 . 1 1 11 11 TRP HZ3 H 1 6.594 0.000 . 1 . . . A 236 TRP HZ3 . 17538 1
54 . 1 1 11 11 TRP HH2 H 1 6.920 0.000 . 1 . . . A 236 TRP HH2 . 17538 1
55 . 1 1 11 11 TRP H H 1 7.717 0.000 . 1 . . . A 236 TRP HN . 17538 1
56 . 1 1 11 11 TRP CA C 13 53.630 0.051 . 1 . . . A 236 TRP CA . 17538 1
57 . 1 1 11 11 TRP CB C 13 29.455 0.142 . 1 . . . A 236 TRP CB . 17538 1
58 . 1 1 11 11 TRP N N 15 117.959 0.000 . 1 . . . A 236 TRP N . 17538 1
59 . 1 1 12 12 GLU HA H 1 4.557 0.000 . 1 . . . A 237 GLU HA . 17538 1
60 . 1 1 12 12 GLU HB2 H 1 1.708 0.000 . 2 . . . A 237 GLU HB2 . 17538 1
61 . 1 1 12 12 GLU HB3 H 1 0.858 0.000 . 2 . . . A 237 GLU HB3 . 17538 1
62 . 1 1 12 12 GLU HG2 H 1 2.068 0.000 . 2 . . . A 237 GLU HG2 . 17538 1
63 . 1 1 12 12 GLU HG3 H 1 1.830 0.000 . 2 . . . A 237 GLU HG3 . 17538 1
64 . 1 1 12 12 GLU H H 1 9.347 0.000 . 1 . . . A 237 GLU HN . 17538 1
65 . 1 1 12 12 GLU CA C 13 52.556 0.000 . 1 . . . A 237 GLU CA . 17538 1
66 . 1 1 12 12 GLU CB C 13 32.156 0.000 . 1 . . . A 237 GLU CB . 17538 1
67 . 1 1 12 12 GLU N N 15 121.108 0.000 . 1 . . . A 237 GLU N . 17538 1
68 . 1 1 13 13 GLN HA H 1 4.320 0.006 . 1 . . . A 238 GLN HA . 17538 1
69 . 1 1 13 13 GLN HB2 H 1 1.792 0.000 . 2 . . . A 238 GLN HB2 . 17538 1
70 . 1 1 13 13 GLN HB3 H 1 1.724 0.000 . 2 . . . A 238 GLN HB3 . 17538 1
71 . 1 1 13 13 GLN HG2 H 1 1.943 0.000 . 2 . . . A 238 GLN HG2 . 17538 1
72 . 1 1 13 13 GLN HG3 H 1 1.908 0.000 . 2 . . . A 238 GLN HG3 . 17538 1
73 . 1 1 13 13 GLN HE21 H 1 7.130 0.000 . 1 . . . A 238 GLN HE21 . 17538 1
74 . 1 1 13 13 GLN HE22 H 1 6.887 0.000 . 1 . . . A 238 GLN HE22 . 17538 1
75 . 1 1 13 13 GLN H H 1 8.818 0.000 . 1 . . . A 238 GLN HN . 17538 1
76 . 1 1 13 13 GLN CA C 13 53.077 0.000 . 1 . . . A 238 GLN CA . 17538 1
77 . 1 1 13 13 GLN CB C 13 28.414 0.003 . 1 . . . A 238 GLN CB . 17538 1
78 . 1 1 13 13 GLN N N 15 125.179 0.000 . 1 . . . A 238 GLN N . 17538 1
79 . 1 1 14 14 ALA HA H 1 4.191 0.002 . 1 . . . A 239 ALA HA . 17538 1
80 . 1 1 14 14 ALA HB1 H 1 0.276 0.000 . 1 . . . A 239 ALA HB2 . 17538 1
81 . 1 1 14 14 ALA HB2 H 1 0.276 0.000 . 1 . . . A 239 ALA HB2 . 17538 1
82 . 1 1 14 14 ALA HB3 H 1 0.276 0.000 . 1 . . . A 239 ALA HB2 . 17538 1
83 . 1 1 14 14 ALA H H 1 8.546 0.000 . 1 . . . A 239 ALA HN . 17538 1
84 . 1 1 14 14 ALA CA C 13 48.196 0.001 . 1 . . . A 239 ALA CA . 17538 1
85 . 1 1 14 14 ALA CB C 13 19.629 0.000 . 1 . . . A 239 ALA CB . 17538 1
86 . 1 1 14 14 ALA N N 15 131.427 0.000 . 1 . . . A 239 ALA N . 17538 1
87 . 1 1 15 15 MET HA H 1 5.348 0.000 . 1 . . . A 240 MET HA . 17538 1
88 . 1 1 15 15 MET HB2 H 1 1.706 0.000 . 1 . . . A 240 MET HB2 . 17538 1
89 . 1 1 15 15 MET HB3 H 1 1.587 0.000 . 1 . . . A 240 MET HB3 . 17538 1
90 . 1 1 15 15 MET HG2 H 1 2.415 0.000 . 2 . . . A 240 MET HG2 . 17538 1
91 . 1 1 15 15 MET HG3 H 1 2.076 0.000 . 2 . . . A 240 MET HG3 . 17538 1
92 . 1 1 15 15 MET HE1 H 1 2.403 0.000 . 1 . . . A 240 MET HE2 . 17538 1
93 . 1 1 15 15 MET HE2 H 1 2.403 0.000 . 1 . . . A 240 MET HE2 . 17538 1
94 . 1 1 15 15 MET HE3 H 1 2.403 0.000 . 1 . . . A 240 MET HE2 . 17538 1
95 . 1 1 15 15 MET H H 1 7.887 0.058 . 1 . . . A 240 MET HN . 17538 1
96 . 1 1 15 15 MET CA C 13 51.450 0.000 . 1 . . . A 240 MET CA . 17538 1
97 . 1 1 15 15 MET CB C 13 34.270 0.000 . 1 . . . A 240 MET CB . 17538 1
98 . 1 1 15 15 MET N N 15 116.730 0.000 . 1 . . . A 240 MET N . 17538 1
99 . 1 1 16 16 THR HA H 1 4.488 0.001 . 1 . . . A 241 THR HA . 17538 1
100 . 1 1 16 16 THR HB H 1 4.694 0.000 . 1 . . . A 241 THR HB . 17538 1
101 . 1 1 16 16 THR HG1 H 1 6.775 0.000 . 1 . . . A 241 THR HG1 . 17538 1
102 . 1 1 16 16 THR HG21 H 1 1.291 0.000 . 1 . . . A 241 THR HG22 . 17538 1
103 . 1 1 16 16 THR HG22 H 1 1.291 0.000 . 1 . . . A 241 THR HG22 . 17538 1
104 . 1 1 16 16 THR HG23 H 1 1.291 0.000 . 1 . . . A 241 THR HG22 . 17538 1
105 . 1 1 16 16 THR H H 1 9.457 0.000 . 1 . . . A 241 THR HN . 17538 1
106 . 1 1 16 16 THR CA C 13 58.608 0.004 . 1 . . . A 241 THR CA . 17538 1
107 . 1 1 16 16 THR CB C 13 69.346 0.000 . 1 . . . A 241 THR CB . 17538 1
108 . 1 1 16 16 THR N N 15 116.448 0.000 . 1 . . . A 241 THR N . 17538 1
109 . 1 1 17 17 GLN HA H 1 3.964 0.000 . 1 . . . A 242 GLN HA . 17538 1
110 . 1 1 17 17 GLN HB2 H 1 2.044 0.000 . 2 . . . A 242 GLN HB2 . 17538 1
111 . 1 1 17 17 GLN HB3 H 1 1.950 0.000 . 2 . . . A 242 GLN HB3 . 17538 1
112 . 1 1 17 17 GLN HG2 H 1 2.380 0.001 . 2 . . . A 242 GLN HG2 . 17538 1
113 . 1 1 17 17 GLN HG3 H 1 2.234 0.000 . 2 . . . A 242 GLN HG3 . 17538 1
114 . 1 1 17 17 GLN HE21 H 1 7.506 0.000 . 1 . . . A 242 GLN HE21 . 17538 1
115 . 1 1 17 17 GLN HE22 H 1 6.732 0.000 . 1 . . . A 242 GLN HE22 . 17538 1
116 . 1 1 17 17 GLN H H 1 9.451 0.000 . 1 . . . A 242 GLN HN . 17538 1
117 . 1 1 17 17 GLN CA C 13 55.940 0.000 . 1 . . . A 242 GLN CA . 17538 1
118 . 1 1 17 17 GLN CB C 13 25.550 0.000 . 1 . . . A 242 GLN CB . 17538 1
119 . 1 1 18 18 ASP HA H 1 4.610 0.000 . 1 . . . A 243 ASP HA . 17538 1
120 . 1 1 18 18 ASP HB2 H 1 2.651 0.000 . 2 . . . A 243 ASP HB2 . 17538 1
121 . 1 1 18 18 ASP HB3 H 1 2.329 0.000 . 2 . . . A 243 ASP HB3 . 17538 1
122 . 1 1 18 18 ASP H H 1 7.491 0.000 . 1 . . . A 243 ASP HN . 17538 1
123 . 1 1 18 18 ASP CA C 13 51.385 0.000 . 1 . . . A 243 ASP CA . 17538 1
124 . 1 1 18 18 ASP CB C 13 38.467 0.000 . 1 . . . A 243 ASP CB . 17538 1
125 . 1 1 18 18 ASP N N 15 115.321 0.000 . 1 . . . A 243 ASP N . 17538 1
126 . 1 1 19 19 GLY HA2 H 1 3.593 0.000 . 1 . . . A 244 GLY HA2 . 17538 1
127 . 1 1 19 19 GLY HA3 H 1 3.965 0.000 . 1 . . . A 244 GLY HA3 . 17538 1
128 . 1 1 19 19 GLY H H 1 7.822 0.000 . 1 . . . A 244 GLY HN . 17538 1
129 . 1 1 19 19 GLY CA C 13 43.446 0.000 . 1 . . . A 244 GLY CA . 17538 1
130 . 1 1 19 19 GLY N N 15 108.485 0.002 . 1 . . . A 244 GLY N . 17538 1
131 . 1 1 20 20 GLU HA H 1 4.299 0.000 . 1 . . . A 245 GLU HA . 17538 1
132 . 1 1 20 20 GLU HB2 H 1 2.031 0.000 . 2 . . . A 245 GLU HB2 . 17538 1
133 . 1 1 20 20 GLU HB3 H 1 1.731 0.000 . 1 . . . A 245 GLU HB3 . 17538 1
134 . 1 1 20 20 GLU HG2 H 1 2.397 0.001 . 1 . . . A 245 GLU HG2 . 17538 1
135 . 1 1 20 20 GLU H H 1 7.542 0.000 . 1 . . . A 245 GLU HN . 17538 1
136 . 1 1 20 20 GLU CA C 13 52.979 0.000 . 1 . . . A 245 GLU CA . 17538 1
137 . 1 1 20 20 GLU CB C 13 27.763 0.000 . 1 . . . A 245 GLU CB . 17538 1
138 . 1 1 20 20 GLU N N 15 119.367 0.000 . 1 . . . A 245 GLU N . 17538 1
139 . 1 1 21 21 ILE HA H 1 4.436 0.000 . 1 . . . A 246 ILE HA . 17538 1
140 . 1 1 21 21 ILE HB H 1 1.564 0.000 . 1 . . . A 246 ILE HB . 17538 1
141 . 1 1 21 21 ILE HG12 H 1 0.874 0.000 . 2 . . . A 246 ILE HG12 . 17538 1
142 . 1 1 21 21 ILE HG13 H 1 0.915 0.000 . 2 . . . A 246 ILE HG13 . 17538 1
143 . 1 1 21 21 ILE HG21 H 1 0.472 0.000 . 1 . . . A 246 ILE HG22 . 17538 1
144 . 1 1 21 21 ILE HG22 H 1 0.472 0.000 . 1 . . . A 246 ILE HG22 . 17538 1
145 . 1 1 21 21 ILE HG23 H 1 0.472 0.000 . 1 . . . A 246 ILE HG22 . 17538 1
146 . 1 1 21 21 ILE HD11 H 1 0.630 0.000 . 1 . . . A 246 ILE HD12 . 17538 1
147 . 1 1 21 21 ILE HD12 H 1 0.630 0.000 . 1 . . . A 246 ILE HD12 . 17538 1
148 . 1 1 21 21 ILE HD13 H 1 0.630 0.000 . 1 . . . A 246 ILE HD12 . 17538 1
149 . 1 1 21 21 ILE H H 1 8.546 0.000 . 1 . . . A 246 ILE HN . 17538 1
150 . 1 1 21 21 ILE CA C 13 58.934 0.007 . 1 . . . A 246 ILE CA . 17538 1
151 . 1 1 21 21 ILE CB C 13 35.994 0.000 . 1 . . . A 246 ILE CB . 17538 1
152 . 1 1 21 21 ILE N N 15 126.460 0.000 . 1 . . . A 246 ILE N . 17538 1
153 . 1 1 22 22 TYR HA H 1 4.321 0.000 . 1 . . . A 247 TYR HA . 17538 1
154 . 1 1 22 22 TYR HD2 H 1 6.069 0.000 . 1 . . . A 247 TYR HD2 . 17538 1
155 . 1 1 22 22 TYR HE2 H 1 6.514 0.000 . 1 . . . A 247 TYR HE2 . 17538 1
156 . 1 1 22 22 TYR H H 1 8.340 0.003 . 1 . . . A 247 TYR HN . 17538 1
157 . 1 1 22 22 TYR CA C 13 53.467 0.000 . 1 . . . A 247 TYR CA . 17538 1
158 . 1 1 22 22 TYR CB C 13 37.231 0.039 . 1 . . . A 247 TYR CB . 17538 1
159 . 1 1 22 22 TYR N N 15 123.977 0.000 . 1 . . . A 247 TYR N . 17538 1
160 . 1 1 23 23 TYR HA H 1 5.008 0.007 . 1 . . . A 248 TYR HA . 17538 1
161 . 1 1 23 23 TYR HB2 H 1 2.923 0.000 . 2 . . . A 248 TYR HB2 . 17538 1
162 . 1 1 23 23 TYR HB3 H 1 2.627 0.000 . 2 . . . A 248 TYR HB3 . 17538 1
163 . 1 1 23 23 TYR HD2 H 1 6.572 0.000 . 1 . . . A 248 TYR HD2 . 17538 1
164 . 1 1 23 23 TYR HE2 H 1 6.474 0.000 . 1 . . . A 248 TYR HE2 . 17538 1
165 . 1 1 23 23 TYR H H 1 8.737 0.000 . 1 . . . A 248 TYR HN . 17538 1
166 . 1 1 23 23 TYR CA C 13 54.736 0.000 . 1 . . . A 248 TYR CA . 17538 1
167 . 1 1 23 23 TYR CB C 13 39.607 0.000 . 1 . . . A 248 TYR CB . 17538 1
168 . 1 1 23 23 TYR N N 15 115.680 0.002 . 1 . . . A 248 TYR N . 17538 1
169 . 1 1 24 24 ILE HA H 1 4.209 0.002 . 1 . . . A 249 ILE HA . 17538 1
170 . 1 1 24 24 ILE HB H 1 1.837 0.000 . 1 . . . A 249 ILE HB . 17538 1
171 . 1 1 24 24 ILE HG12 H 1 1.181 0.000 . 2 . . . A 249 ILE HG12 . 17538 1
172 . 1 1 24 24 ILE HG13 H 1 1.008 0.000 . 2 . . . A 249 ILE HG13 . 17538 1
173 . 1 1 24 24 ILE HG21 H 1 0.391 0.000 . 1 . . . A 249 ILE HG22 . 17538 1
174 . 1 1 24 24 ILE HG22 H 1 0.391 0.000 . 1 . . . A 249 ILE HG22 . 17538 1
175 . 1 1 24 24 ILE HG23 H 1 0.391 0.000 . 1 . . . A 249 ILE HG22 . 17538 1
176 . 1 1 24 24 ILE HD11 H 1 0.166 0.000 . 1 . . . A 249 ILE HD12 . 17538 1
177 . 1 1 24 24 ILE HD12 H 1 0.166 0.000 . 1 . . . A 249 ILE HD12 . 17538 1
178 . 1 1 24 24 ILE HD13 H 1 0.166 0.000 . 1 . . . A 249 ILE HD12 . 17538 1
179 . 1 1 24 24 ILE H H 1 9.236 0.000 . 1 . . . A 249 ILE HN . 17538 1
180 . 1 1 24 24 ILE CA C 13 58.023 0.000 . 1 . . . A 249 ILE CA . 17538 1
181 . 1 1 24 24 ILE CB C 13 40.322 0.001 . 1 . . . A 249 ILE CB . 17538 1
182 . 1 1 24 24 ILE N N 15 122.209 0.000 . 1 . . . A 249 ILE N . 17538 1
183 . 1 1 25 25 ASN HA H 1 3.945 0.000 . 1 . . . A 250 ASN HA . 17538 1
184 . 1 1 25 25 ASN HB2 H 1 2.166 0.000 . 2 . . . A 250 ASN HB2 . 17538 1
185 . 1 1 25 25 ASN HB3 H 1 -0.458 0.000 . 2 . . . A 250 ASN HB3 . 17538 1
186 . 1 1 25 25 ASN HD21 H 1 6.418 0.000 . 2 . . . A 250 ASN HD21 . 17538 1
187 . 1 1 25 25 ASN HD22 H 1 5.017 0.000 . 2 . . . A 250 ASN HD22 . 17538 1
188 . 1 1 25 25 ASN H H 1 8.279 0.000 . 1 . . . A 250 ASN HN . 17538 1
189 . 1 1 25 25 ASN CA C 13 47.871 0.000 . 1 . . . A 250 ASN CA . 17538 1
190 . 1 1 25 25 ASN CB C 13 33.815 0.000 . 1 . . . A 250 ASN CB . 17538 1
191 . 1 1 25 25 ASN N N 15 124.734 0.000 . 1 . . . A 250 ASN N . 17538 1
192 . 1 1 26 26 HIS HA H 1 4.051 0.041 . 1 . . . A 251 HIS HA . 17538 1
193 . 1 1 26 26 HIS HB2 H 1 2.851 0.001 . 1 . . . A 251 HIS HB2 . 17538 1
194 . 1 1 26 26 HIS HD1 H 1 6.695 0.005 . 1 . . . A 251 HIS HD1 . 17538 1
195 . 1 1 26 26 HIS HE1 H 1 7.545 0.000 . 1 . . . A 251 HIS HE1 . 17538 1
196 . 1 1 26 26 HIS H H 1 8.478 0.000 . 1 . . . A 251 HIS HN . 17538 1
197 . 1 1 26 26 HIS CA C 13 56.493 0.001 . 1 . . . A 251 HIS CA . 17538 1
198 . 1 1 26 26 HIS CB C 13 28.317 0.038 . 1 . . . A 251 HIS CB . 17538 1
199 . 1 1 26 26 HIS N N 15 121.953 0.000 . 1 . . . A 251 HIS N . 17538 1
200 . 1 1 27 27 LYS HA H 1 3.841 0.019 . 1 . . . A 252 LYS HA . 17538 1
201 . 1 1 27 27 LYS HB2 H 1 1.624 0.000 . 2 . . . A 252 LYS HB2 . 17538 1
202 . 1 1 27 27 LYS HB3 H 1 1.480 0.002 . 2 . . . A 252 LYS HB3 . 17538 1
203 . 1 1 27 27 LYS HG2 H 1 1.213 0.000 . 2 . . . A 252 LYS HG2 . 17538 1
204 . 1 1 27 27 LYS HG3 H 1 1.117 0.056 . 2 . . . A 252 LYS HG3 . 17538 1
205 . 1 1 27 27 LYS HD2 H 1 2.402 0.000 . 2 . . . A 252 LYS HD2 . 17538 1
206 . 1 1 27 27 LYS HD3 H 1 2.163 0.000 . 2 . . . A 252 LYS HD3 . 17538 1
207 . 1 1 27 27 LYS H H 1 7.924 0.000 . 1 . . . A 252 LYS HN . 17538 1
208 . 1 1 27 27 LYS CA C 13 56.786 0.000 . 1 . . . A 252 LYS CA . 17538 1
209 . 1 1 27 27 LYS CB C 13 28.642 0.001 . 1 . . . A 252 LYS CB . 17538 1
210 . 1 1 27 27 LYS N N 15 118.804 0.000 . 1 . . . A 252 LYS N . 17538 1
211 . 1 1 28 28 ASN HA H 1 4.400 0.002 . 1 . . . A 253 ASN HA . 17538 1
212 . 1 1 28 28 ASN HB2 H 1 2.381 0.000 . 2 . . . A 253 ASN HB2 . 17538 1
213 . 1 1 28 28 ASN HB3 H 1 2.197 0.000 . 2 . . . A 253 ASN HB3 . 17538 1
214 . 1 1 28 28 ASN HD21 H 1 6.789 0.000 . 2 . . . A 253 ASN HD21 . 17538 1
215 . 1 1 28 28 ASN H H 1 6.562 0.003 . 1 . . . A 253 ASN HN . 17538 1
216 . 1 1 28 28 ASN CA C 13 48.814 0.017 . 1 . . . A 253 ASN CA . 17538 1
217 . 1 1 28 28 ASN CB C 13 35.962 0.160 . 1 . . . A 253 ASN CB . 17538 1
218 . 1 1 28 28 ASN N N 15 113.401 0.000 . 1 . . . A 253 ASN N . 17538 1
219 . 1 1 29 29 LYS HA H 1 2.672 0.002 . 1 . . . A 254 LYS HA . 17538 1
220 . 1 1 29 29 LYS HB2 H 1 1.597 0.000 . 2 . . . A 254 LYS HB2 . 17538 1
221 . 1 1 29 29 LYS HB3 H 1 1.427 0.000 . 2 . . . A 254 LYS HB3 . 17538 1
222 . 1 1 29 29 LYS HG2 H 1 1.264 0.004 . 2 . . . A 254 LYS HG2 . 17538 1
223 . 1 1 29 29 LYS HG3 H 1 1.153 0.004 . 2 . . . A 254 LYS HG3 . 17538 1
224 . 1 1 29 29 LYS HD2 H 1 2.727 0.000 . 2 . . . A 254 LYS HD2 . 17538 1
225 . 1 1 29 29 LYS H H 1 7.091 0.000 . 1 . . . A 254 LYS HN . 17538 1
226 . 1 1 29 29 LYS CA C 13 53.956 0.000 . 1 . . . A 254 LYS CA . 17538 1
227 . 1 1 29 29 LYS N N 15 116.448 0.000 . 1 . . . A 254 LYS N . 17538 1
228 . 1 1 30 30 THR HA H 1 4.575 0.000 . 1 . . . A 255 THR HA . 17538 1
229 . 1 1 30 30 THR HB H 1 3.951 0.000 . 1 . . . A 255 THR HB . 17538 1
230 . 1 1 30 30 THR HG21 H 1 0.793 0.000 . 1 . . . A 255 THR HG22 . 17538 1
231 . 1 1 30 30 THR HG22 H 1 0.793 0.000 . 1 . . . A 255 THR HG22 . 17538 1
232 . 1 1 30 30 THR HG23 H 1 0.793 0.000 . 1 . . . A 255 THR HG22 . 17538 1
233 . 1 1 30 30 THR H H 1 7.314 0.000 . 1 . . . A 255 THR HN . 17538 1
234 . 1 1 30 30 THR CA C 13 57.242 0.000 . 1 . . . A 255 THR CA . 17538 1
235 . 1 1 30 30 THR CB C 13 70.647 0.000 . 1 . . . A 255 THR CB . 17538 1
236 . 1 1 30 30 THR N N 15 108.459 0.000 . 1 . . . A 255 THR N . 17538 1
237 . 1 1 31 31 THR HA H 1 5.236 0.000 . 1 . . . A 256 THR HA . 17538 1
238 . 1 1 31 31 THR HB H 1 3.953 0.000 . 1 . . . A 256 THR HB . 17538 1
239 . 1 1 31 31 THR HG21 H 1 0.934 0.000 . 1 . . . A 256 THR HG22 . 17538 1
240 . 1 1 31 31 THR HG22 H 1 0.934 0.000 . 1 . . . A 256 THR HG22 . 17538 1
241 . 1 1 31 31 THR HG23 H 1 0.934 0.000 . 1 . . . A 256 THR HG22 . 17538 1
242 . 1 1 31 31 THR H H 1 7.919 0.000 . 1 . . . A 256 THR HN . 17538 1
243 . 1 1 31 31 THR CA C 13 56.624 0.000 . 1 . . . A 256 THR CA . 17538 1
244 . 1 1 31 31 THR CB C 13 69.898 0.000 . 1 . . . A 256 THR CB . 17538 1
245 . 1 1 31 31 THR N N 15 109.143 0.000 . 1 . . . A 256 THR N . 17538 1
246 . 1 1 32 32 SER HA H 1 4.549 0.000 . 1 . . . A 257 SER HA . 17538 1
247 . 1 1 32 32 SER HB2 H 1 3.875 0.000 . 1 . . . A 257 SER HB2 . 17538 1
248 . 1 1 32 32 SER HB3 H 1 3.494 0.000 . 1 . . . A 257 SER HB3 . 17538 1
249 . 1 1 32 32 SER H H 1 9.221 0.000 . 1 . . . A 257 SER HN . 17538 1
250 . 1 1 32 32 SER CA C 13 54.410 0.001 . 1 . . . A 257 SER CA . 17538 1
251 . 1 1 32 32 SER CB C 13 63.098 0.000 . 1 . . . A 257 SER CB . 17538 1
252 . 1 1 32 32 SER N N 15 111.967 0.000 . 1 . . . A 257 SER N . 17538 1
253 . 1 1 33 33 TRP HA H 1 4.955 0.000 . 1 . . . A 258 TRP HA . 17538 1
254 . 1 1 33 33 TRP HB2 H 1 3.502 0.000 . 1 . . . A 258 TRP HB2 . 17538 1
255 . 1 1 33 33 TRP HB3 H 1 2.902 0.051 . 2 . . . A 258 TRP HB3 . 17538 1
256 . 1 1 33 33 TRP HD1 H 1 7.144 0.003 . 1 . . . A 258 TRP HD1 . 17538 1
257 . 1 1 33 33 TRP HE1 H 1 9.845 0.000 . 1 . . . A 258 TRP HE1 . 17538 1
258 . 1 1 33 33 TRP HE3 H 1 7.939 0.142 . 1 . . . A 258 TRP HE3 . 17538 1
259 . 1 1 33 33 TRP HZ2 H 1 6.955 0.001 . 1 . . . A 258 TRP HZ2 . 17538 1
260 . 1 1 33 33 TRP HZ3 H 1 6.683 0.005 . 1 . . . A 258 TRP HZ3 . 17538 1
261 . 1 1 33 33 TRP HH2 H 1 6.653 0.001 . 1 . . . A 258 TRP HH2 . 17538 1
262 . 1 1 33 33 TRP H H 1 9.053 0.000 . 1 . . . A 258 TRP HN . 17538 1
263 . 1 1 33 33 TRP CA C 13 55.582 0.003 . 1 . . . A 258 TRP CA . 17538 1
264 . 1 1 33 33 TRP CB C 13 28.739 0.000 . 1 . . . A 258 TRP CB . 17538 1
265 . 1 1 33 33 TRP N N 15 125.179 0.006 . 1 . . . A 258 TRP N . 17538 1
266 . 1 1 34 34 LEU HA H 1 4.241 0.000 . 1 . . . A 259 LEU HA . 17538 1
267 . 1 1 34 34 LEU HB2 H 1 1.406 0.000 . 2 . . . A 259 LEU HB2 . 17538 1
268 . 1 1 34 34 LEU HB3 H 1 1.334 0.000 . 2 . . . A 259 LEU HB3 . 17538 1
269 . 1 1 34 34 LEU HG H 1 0.925 0.000 . 1 . . . A 259 LEU HG . 17538 1
270 . 1 1 34 34 LEU HD11 H 1 0.702 0.000 . 1 . . . A 259 LEU HD12 . 17538 1
271 . 1 1 34 34 LEU HD12 H 1 0.702 0.000 . 1 . . . A 259 LEU HD12 . 17538 1
272 . 1 1 34 34 LEU HD13 H 1 0.702 0.000 . 1 . . . A 259 LEU HD12 . 17538 1
273 . 1 1 34 34 LEU HD21 H 1 0.646 0.000 . 1 . . . A 259 LEU HD22 . 17538 1
274 . 1 1 34 34 LEU HD22 H 1 0.646 0.000 . 1 . . . A 259 LEU HD22 . 17538 1
275 . 1 1 34 34 LEU HD23 H 1 0.646 0.000 . 1 . . . A 259 LEU HD22 . 17538 1
276 . 1 1 34 34 LEU H H 1 7.815 0.000 . 1 . . . A 259 LEU HN . 17538 1
277 . 1 1 34 34 LEU CA C 13 51.645 0.000 . 1 . . . A 259 LEU CA . 17538 1
278 . 1 1 34 34 LEU CB C 13 39.834 0.000 . 1 . . . A 259 LEU CB . 17538 1
279 . 1 1 34 34 LEU N N 15 119.679 0.000 . 1 . . . A 259 LEU N . 17538 1
280 . 1 1 35 35 ASP HA H 1 2.744 0.000 . 1 . . . A 260 ASP HA . 17538 1
281 . 1 1 35 35 ASP HB2 H 1 2.350 0.000 . 2 . . . A 260 ASP HB2 . 17538 1
282 . 1 1 35 35 ASP HB3 H 1 2.203 0.006 . 2 . . . A 260 ASP HB3 . 17538 1
283 . 1 1 35 35 ASP H H 1 7.976 0.000 . 1 . . . A 260 ASP HN . 17538 1
284 . 1 1 35 35 ASP CA C 13 48.001 0.000 . 1 . . . A 260 ASP CA . 17538 1
285 . 1 1 35 35 ASP CB C 13 38.761 0.000 . 1 . . . A 260 ASP CB . 17538 1
286 . 1 1 35 35 ASP N N 15 125.068 0.000 . 1 . . . A 260 ASP N . 17538 1
287 . 1 1 36 36 PRO HA H 1 3.642 0.000 . 1 . . . A 261 PRO HA . 17538 1
288 . 1 1 36 36 PRO HB2 H 1 0.526 0.000 . 2 . . . A 261 PRO HB2 . 17538 1
289 . 1 1 36 36 PRO HB3 H 1 0.380 0.000 . 2 . . . A 261 PRO HB3 . 17538 1
290 . 1 1 36 36 PRO HG2 H 1 0.340 0.000 . 2 . . . A 261 PRO HG2 . 17538 1
291 . 1 1 36 36 PRO HG3 H 1 0.100 0.000 . 2 . . . A 261 PRO HG3 . 17538 1
292 . 1 1 36 36 PRO HD2 H 1 2.439 0.000 . 2 . . . A 261 PRO HD2 . 17538 1
293 . 1 1 36 36 PRO HD3 H 1 2.348 0.000 . 2 . . . A 261 PRO HD3 . 17538 1
294 . 1 1 36 36 PRO CA C 13 60.300 0.003 . 1 . . . A 261 PRO CA . 17538 1
295 . 1 1 36 36 PRO CB C 13 27.893 0.000 . 1 . . . A 261 PRO CB . 17538 1
296 . 1 1 37 37 ARG HA H 1 3.624 0.000 . 1 . . . A 262 ARG HA . 17538 1
297 . 1 1 37 37 ARG HB2 H 1 1.310 0.058 . 2 . . . A 262 ARG HB2 . 17538 1
298 . 1 1 37 37 ARG HB3 H 1 1.021 0.000 . 2 . . . A 262 ARG HB3 . 17538 1
299 . 1 1 37 37 ARG HG2 H 1 1.599 0.000 . 1 . . . A 262 ARG HG2 . 17538 1
300 . 1 1 37 37 ARG HG3 H 1 1.524 0.000 . 1 . . . A 262 ARG HG3 . 17538 1
301 . 1 1 37 37 ARG HD2 H 1 2.663 0.000 . 1 . . . A 262 ARG HD2 . 17538 1
302 . 1 1 37 37 ARG HD3 H 1 2.625 0.000 . 1 . . . A 262 ARG HD3 . 17538 1
303 . 1 1 37 37 ARG HE H 1 8.337 0.000 . 1 . . . A 262 ARG HE . 17538 1
304 . 1 1 37 37 ARG H H 1 8.149 0.002 . 1 . . . A 262 ARG HN . 17538 1
305 . 1 1 37 37 ARG CA C 13 54.964 0.000 . 1 . . . A 262 ARG CA . 17538 1
306 . 1 1 37 37 ARG CB C 13 27.274 0.000 . 1 . . . A 262 ARG CB . 17538 1
307 . 1 1 37 37 ARG N N 15 119.005 0.001 . 1 . . . A 262 ARG N . 17538 1
308 . 1 1 38 38 LEU HA H 1 3.990 0.000 . 1 . . . A 263 LEU HA . 17538 1
309 . 1 1 38 38 LEU HB2 H 1 1.245 0.001 . 2 . . . A 263 LEU HB2 . 17538 1
310 . 1 1 38 38 LEU HB3 H 1 1.160 0.000 . 2 . . . A 263 LEU HB3 . 17538 1
311 . 1 1 38 38 LEU HG H 1 1.042 0.000 . 1 . . . A 263 LEU HG . 17538 1
312 . 1 1 38 38 LEU HD11 H 1 0.690 0.000 . 1 . . . A 263 LEU HD12 . 17538 1
313 . 1 1 38 38 LEU HD12 H 1 0.690 0.000 . 1 . . . A 263 LEU HD12 . 17538 1
314 . 1 1 38 38 LEU HD13 H 1 0.690 0.000 . 1 . . . A 263 LEU HD12 . 17538 1
315 . 1 1 38 38 LEU HD21 H 1 0.523 0.000 . 1 . . . A 263 LEU HD22 . 17538 1
316 . 1 1 38 38 LEU HD22 H 1 0.523 0.000 . 1 . . . A 263 LEU HD22 . 17538 1
317 . 1 1 38 38 LEU HD23 H 1 0.523 0.000 . 1 . . . A 263 LEU HD22 . 17538 1
318 . 1 1 38 38 LEU H H 1 7.055 0.000 . 1 . . . A 263 LEU HN . 17538 1
319 . 1 1 38 38 LEU CA C 13 51.938 0.000 . 1 . . . A 263 LEU CA . 17538 1
320 . 1 1 38 38 LEU CB C 13 39.118 0.004 . 1 . . . A 263 LEU CB . 17538 1
321 . 1 1 38 38 LEU N N 15 117.575 0.000 . 1 . . . A 263 LEU N . 17538 1
stop_
save_