data_17774
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17774
_Entry.PDB_ID 2LFQ
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 17774
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 LYS C C 16 170.700 170.700 175.281 -4.581 17774
2 1 1 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.162 -3.462 17774
3 1 1 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.558 1.842 17774
4 1 1 . 1 1 4 4 VAL C C 18 170.200 170.200 174.741 -4.541 17774
5 1 1 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.292 -4.092 17774
6 1 1 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.509 -1.909 17774
7 1 1 . 1 1 5 5 PHE C C 19 170.800 170.800 173.860 -3.060 17774
8 1 1 . 1 1 5 5 PHE CA C 19 53.100 53.100 57.150 -4.050 17774
9 1 1 . 1 1 5 5 PHE CB C 19 41.000 41.000 40.491 0.509 17774
10 1 1 . 1 1 7 7 ALA C C 21 171.800 171.800 175.454 -3.654 17774
11 1 1 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.782 -3.982 17774
12 1 1 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.506 0.094 17774
13 1 1 . 1 1 8 8 GLU C C 22 170.700 170.700 175.030 -4.330 17774
14 1 1 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.193 -3.593 17774
15 1 1 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.358 3.042 17774
16 1 1 . 1 1 9 9 ASN C C 23 171.000 171.000 175.479 -4.479 17774
17 1 1 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.616 -3.016 17774
18 1 1 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.164 0.436 17774
19 1 1 . 1 1 14 14 LYS C C 28 173.300 173.300 176.844 -3.544 17774
20 1 1 . 1 1 14 14 LYS CA C 28 53.500 53.500 55.906 -2.405 17774
21 1 1 . 1 1 14 14 LYS CB C 28 29.800 29.800 33.103 -3.303 17774
22 1 1 . 1 1 16 16 ALA C C 30 172.600 172.600 175.635 -3.035 17774
23 1 1 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.764 -3.364 17774
24 1 1 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.372 -0.272 17774
25 1 1 . 1 1 17 17 ILE C C 31 171.500 171.500 174.001 -2.501 17774
26 1 1 . 1 1 17 17 ILE CA C 31 57.300 57.300 59.967 -2.667 17774
27 1 1 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.059 -1.060 17774
28 1 1 . 1 1 18 18 ILE C C 32 171.700 171.700 174.116 -2.416 17774
29 1 1 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.828 -4.428 17774
30 1 1 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.595 -1.395 17774
31 1 1 . 1 1 20 20 LEU C C 34 171.200 171.200 175.113 -3.913 17774
32 1 1 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.442 -2.342 17774
33 1 1 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.836 -1.136 17774
34 1 1 . 1 1 21 21 MET C C 35 171.300 171.300 175.707 -4.407 17774
35 1 1 . 1 1 21 21 MET CA C 35 52.000 52.000 54.841 -2.841 17774
36 1 1 . 1 1 21 21 MET CB C 35 33.800 33.800 35.435 -1.635 17774
37 1 1 . 1 1 22 22 VAL C C 36 171.500 171.500 175.866 -4.366 17774
38 1 1 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.815 -5.315 17774
39 1 1 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.243 -0.043 17774
40 1 1 . 1 1 24 24 GLY C C 38 168.000 168.000 174.603 -6.603 17774
41 1 1 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.556 -1.756 17774
42 1 1 . 1 1 25 25 VAL C C 39 172.100 172.100 175.678 -3.578 17774
43 1 1 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.333 -3.632 17774
44 1 1 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.478 -1.278 17774
45 1 2 . 1 1 2 2 LYS C C 16 170.700 170.700 175.118 -4.418 17774
46 1 2 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.315 -3.615 17774
47 1 2 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.804 1.595 17774
48 1 2 . 1 1 4 4 VAL C C 18 170.200 170.200 174.693 -4.493 17774
49 1 2 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.039 -3.839 17774
50 1 2 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.458 -1.858 17774
51 1 2 . 1 1 5 5 PHE C C 19 170.800 170.800 173.697 -2.897 17774
52 1 2 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.670 -3.570 17774
53 1 2 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.648 -0.648 17774
54 1 2 . 1 1 7 7 ALA C C 21 171.800 171.800 174.693 -2.893 17774
55 1 2 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.385 -3.585 17774
56 1 2 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.145 -0.545 17774
57 1 2 . 1 1 8 8 GLU C C 22 170.700 170.700 175.403 -4.703 17774
58 1 2 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.870 -3.270 17774
59 1 2 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.224 3.176 17774
60 1 2 . 1 1 9 9 ASN C C 23 171.000 171.000 174.871 -3.871 17774
61 1 2 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.587 -2.987 17774
62 1 2 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.190 0.410 17774
63 1 2 . 1 1 14 14 LYS C C 28 173.300 173.300 175.339 -2.039 17774
64 1 2 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.661 -3.161 17774
65 1 2 . 1 1 14 14 LYS CB C 28 29.800 29.800 30.843 -1.044 17774
66 1 2 . 1 1 16 16 ALA C C 30 172.600 172.600 177.297 -4.697 17774
67 1 2 . 1 1 16 16 ALA CA C 30 48.400 48.400 53.164 -4.764 17774
68 1 2 . 1 1 16 16 ALA CB C 30 20.100 20.100 18.988 1.112 17774
69 1 2 . 1 1 17 17 ILE C C 31 171.500 171.500 174.446 -2.946 17774
70 1 2 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.504 -3.204 17774
71 1 2 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.742 -0.742 17774
72 1 2 . 1 1 18 18 ILE C C 32 171.700 171.700 174.133 -2.433 17774
73 1 2 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.785 -4.385 17774
74 1 2 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.645 -1.445 17774
75 1 2 . 1 1 20 20 LEU C C 34 171.200 171.200 175.338 -4.138 17774
76 1 2 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.350 -2.251 17774
77 1 2 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.700 -1.000 17774
78 1 2 . 1 1 21 21 MET C C 35 171.300 171.300 175.846 -4.546 17774
79 1 2 . 1 1 21 21 MET CA C 35 52.000 52.000 54.613 -2.613 17774
80 1 2 . 1 1 21 21 MET CB C 35 33.800 33.800 34.937 -1.137 17774
81 1 2 . 1 1 22 22 VAL C C 36 171.500 171.500 176.139 -4.639 17774
82 1 2 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.183 -5.683 17774
83 1 2 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.991 0.210 17774
84 1 2 . 1 1 24 24 GLY C C 38 168.000 168.000 173.603 -5.603 17774
85 1 2 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.397 -1.597 17774
86 1 2 . 1 1 25 25 VAL C C 39 172.100 172.100 175.572 -3.472 17774
87 1 2 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.050 -3.350 17774
88 1 2 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.922 -1.722 17774
89 1 3 . 1 1 2 2 LYS C C 16 170.700 170.700 175.022 -4.322 17774
90 1 3 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.347 -3.647 17774
91 1 3 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.977 1.423 17774
92 1 3 . 1 1 4 4 VAL C C 18 170.200 170.200 174.542 -4.342 17774
93 1 3 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.802 -3.602 17774
94 1 3 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.647 -2.047 17774
95 1 3 . 1 1 5 5 PHE C C 19 170.800 170.800 173.741 -2.941 17774
96 1 3 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.679 -3.579 17774
97 1 3 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.139 -0.139 17774
98 1 3 . 1 1 7 7 ALA C C 21 171.800 171.800 174.974 -3.174 17774
99 1 3 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.532 -3.732 17774
100 1 3 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.032 -0.432 17774
101 1 3 . 1 1 8 8 GLU C C 22 170.700 170.700 175.506 -4.806 17774
102 1 3 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.998 -3.398 17774
103 1 3 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.616 2.784 17774
104 1 3 . 1 1 9 9 ASN C C 23 171.000 171.000 175.730 -4.730 17774
105 1 3 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.565 -2.965 17774
106 1 3 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.460 0.140 17774
107 1 3 . 1 1 14 14 LYS C C 28 173.300 173.300 175.058 -1.758 17774
108 1 3 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.968 -3.468 17774
109 1 3 . 1 1 14 14 LYS CB C 28 29.800 29.800 31.666 -1.866 17774
110 1 3 . 1 1 16 16 ALA C C 30 172.600 172.600 176.003 -3.403 17774
111 1 3 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.644 -4.244 17774
112 1 3 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.357 0.744 17774
113 1 3 . 1 1 17 17 ILE C C 31 171.500 171.500 175.192 -3.692 17774
114 1 3 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.832 -3.532 17774
115 1 3 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.269 -0.269 17774
116 1 3 . 1 1 18 18 ILE C C 32 171.700 171.700 174.352 -2.652 17774
117 1 3 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.964 -4.564 17774
118 1 3 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.930 -1.730 17774
119 1 3 . 1 1 20 20 LEU C C 34 171.200 171.200 174.807 -3.607 17774
120 1 3 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.981 -2.881 17774
121 1 3 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.327 -0.627 17774
122 1 3 . 1 1 21 21 MET C C 35 171.300 171.300 175.295 -3.995 17774
123 1 3 . 1 1 21 21 MET CA C 35 52.000 52.000 54.928 -2.928 17774
124 1 3 . 1 1 21 21 MET CB C 35 33.800 33.800 34.742 -0.942 17774
125 1 3 . 1 1 22 22 VAL C C 36 171.500 171.500 176.589 -5.089 17774
126 1 3 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.233 -4.733 17774
127 1 3 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.091 0.109 17774
128 1 3 . 1 1 24 24 GLY C C 38 168.000 168.000 173.997 -5.997 17774
129 1 3 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.487 -1.687 17774
130 1 3 . 1 1 25 25 VAL C C 39 172.100 172.100 175.037 -2.937 17774
131 1 3 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.836 -4.136 17774
132 1 3 . 1 1 25 25 VAL CB C 39 31.200 31.200 33.033 -1.833 17774
133 1 4 . 1 1 2 2 LYS C C 16 170.700 170.700 175.008 -4.308 17774
134 1 4 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.410 -3.710 17774
135 1 4 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.915 1.485 17774
136 1 4 . 1 1 4 4 VAL C C 18 170.200 170.200 174.451 -4.251 17774
137 1 4 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.797 -3.597 17774
138 1 4 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.798 -2.198 17774
139 1 4 . 1 1 5 5 PHE C C 19 170.800 170.800 173.573 -2.773 17774
140 1 4 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.861 -3.761 17774
141 1 4 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.322 -0.322 17774
142 1 4 . 1 1 7 7 ALA C C 21 171.800 171.800 174.873 -3.073 17774
143 1 4 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.608 -3.808 17774
144 1 4 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.271 -0.671 17774
145 1 4 . 1 1 8 8 GLU C C 22 170.700 170.700 175.491 -4.791 17774
146 1 4 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.936 -3.336 17774
147 1 4 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.438 2.962 17774
148 1 4 . 1 1 9 9 ASN C C 23 171.000 171.000 176.329 -5.329 17774
149 1 4 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.407 -2.807 17774
150 1 4 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.143 0.457 17774
151 1 4 . 1 1 14 14 LYS C C 28 173.300 173.300 176.451 -3.151 17774
152 1 4 . 1 1 14 14 LYS CA C 28 53.500 53.500 55.178 -1.678 17774
153 1 4 . 1 1 14 14 LYS CB C 28 29.800 29.800 33.909 -4.109 17774
154 1 4 . 1 1 16 16 ALA C C 30 172.600 172.600 175.933 -3.333 17774
155 1 4 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.555 -4.155 17774
156 1 4 . 1 1 16 16 ALA CB C 30 20.100 20.100 18.046 2.054 17774
157 1 4 . 1 1 17 17 ILE C C 31 171.500 171.500 174.555 -3.055 17774
158 1 4 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.801 -3.501 17774
159 1 4 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.115 -0.115 17774
160 1 4 . 1 1 18 18 ILE C C 32 171.700 171.700 174.328 -2.628 17774
161 1 4 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.769 -4.369 17774
162 1 4 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.646 -1.446 17774
163 1 4 . 1 1 20 20 LEU C C 34 171.200 171.200 175.083 -3.883 17774
164 1 4 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.901 -2.801 17774
165 1 4 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.198 -0.498 17774
166 1 4 . 1 1 21 21 MET C C 35 171.300 171.300 176.437 -5.137 17774
167 1 4 . 1 1 21 21 MET CA C 35 52.000 52.000 54.733 -2.733 17774
168 1 4 . 1 1 21 21 MET CB C 35 33.800 33.800 34.995 -1.195 17774
169 1 4 . 1 1 22 22 VAL C C 36 171.500 171.500 177.186 -5.686 17774
170 1 4 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.515 -6.015 17774
171 1 4 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.708 0.492 17774
172 1 4 . 1 1 24 24 GLY C C 38 168.000 168.000 173.679 -5.679 17774
173 1 4 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.415 -1.615 17774
174 1 4 . 1 1 25 25 VAL C C 39 172.100 172.100 176.674 -4.574 17774
175 1 4 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.836 -4.136 17774
176 1 4 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.030 -0.830 17774
177 1 5 . 1 1 2 2 LYS C C 16 170.700 170.700 175.163 -4.463 17774
178 1 5 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.127 -3.427 17774
179 1 5 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.853 1.547 17774
180 1 5 . 1 1 4 4 VAL C C 18 170.200 170.200 174.205 -4.005 17774
181 1 5 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.978 -3.778 17774
182 1 5 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.731 -2.131 17774
183 1 5 . 1 1 5 5 PHE C C 19 170.800 170.800 173.004 -2.204 17774
184 1 5 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.345 -3.245 17774
185 1 5 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.319 -0.319 17774
186 1 5 . 1 1 7 7 ALA C C 21 171.800 171.800 175.847 -4.047 17774
187 1 5 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.774 -3.974 17774
188 1 5 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.005 -0.405 17774
189 1 5 . 1 1 8 8 GLU C C 22 170.700 170.700 175.108 -4.408 17774
190 1 5 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.378 -3.778 17774
191 1 5 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.623 2.777 17774
192 1 5 . 1 1 9 9 ASN C C 23 171.000 171.000 174.438 -3.438 17774
193 1 5 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.715 -3.115 17774
194 1 5 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.441 0.159 17774
195 1 5 . 1 1 14 14 LYS C C 28 173.300 173.300 176.424 -3.124 17774
196 1 5 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.570 -3.070 17774
197 1 5 . 1 1 14 14 LYS CB C 28 29.800 29.800 31.766 -1.966 17774
198 1 5 . 1 1 16 16 ALA C C 30 172.600 172.600 177.157 -4.557 17774
199 1 5 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.218 -3.818 17774
200 1 5 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.769 0.331 17774
201 1 5 . 1 1 17 17 ILE C C 31 171.500 171.500 175.205 -3.705 17774
202 1 5 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.991 -3.691 17774
203 1 5 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.613 -1.613 17774
204 1 5 . 1 1 18 18 ILE C C 32 171.700 171.700 174.321 -2.621 17774
205 1 5 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.987 -4.588 17774
206 1 5 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.946 -1.746 17774
207 1 5 . 1 1 20 20 LEU C C 34 171.200 171.200 175.259 -4.059 17774
208 1 5 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.334 -2.234 17774
209 1 5 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.706 -1.006 17774
210 1 5 . 1 1 21 21 MET C C 35 171.300 171.300 176.029 -4.729 17774
211 1 5 . 1 1 21 21 MET CA C 35 52.000 52.000 54.564 -2.564 17774
212 1 5 . 1 1 21 21 MET CB C 35 33.800 33.800 34.736 -0.936 17774
213 1 5 . 1 1 22 22 VAL C C 36 171.500 171.500 176.727 -5.227 17774
214 1 5 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.986 -5.486 17774
215 1 5 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.587 0.613 17774
216 1 5 . 1 1 24 24 GLY C C 38 168.000 168.000 174.466 -6.466 17774
217 1 5 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.356 -1.556 17774
218 1 5 . 1 1 25 25 VAL C C 39 172.100 172.100 175.629 -3.529 17774
219 1 5 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.722 -4.022 17774
220 1 5 . 1 1 25 25 VAL CB C 39 31.200 31.200 30.750 0.450 17774
221 1 6 . 1 1 2 2 LYS C C 16 170.700 170.700 175.308 -4.608 17774
222 1 6 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.347 -3.647 17774
223 1 6 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.184 1.216 17774
224 1 6 . 1 1 4 4 VAL C C 18 170.200 170.200 174.733 -4.533 17774
225 1 6 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.130 -3.930 17774
226 1 6 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.442 -1.842 17774
227 1 6 . 1 1 5 5 PHE C C 19 170.800 170.800 173.558 -2.758 17774
228 1 6 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.590 -3.490 17774
229 1 6 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.616 -0.616 17774
230 1 6 . 1 1 7 7 ALA C C 21 171.800 171.800 174.809 -3.009 17774
231 1 6 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.418 -3.618 17774
232 1 6 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.331 -0.730 17774
233 1 6 . 1 1 8 8 GLU C C 22 170.700 170.700 175.392 -4.692 17774
234 1 6 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.971 -3.371 17774
235 1 6 . 1 1 8 8 GLU CB C 22 34.400 34.400 30.956 3.443 17774
236 1 6 . 1 1 9 9 ASN C C 23 171.000 171.000 175.364 -4.364 17774
237 1 6 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.492 -2.892 17774
238 1 6 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.756 -0.156 17774
239 1 6 . 1 1 14 14 LYS C C 28 173.300 173.300 177.009 -3.709 17774
240 1 6 . 1 1 14 14 LYS CA C 28 53.500 53.500 58.086 -4.586 17774
241 1 6 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.773 -2.973 17774
242 1 6 . 1 1 16 16 ALA C C 30 172.600 172.600 175.720 -3.120 17774
243 1 6 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.688 -3.288 17774
244 1 6 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.883 -0.782 17774
245 1 6 . 1 1 17 17 ILE C C 31 171.500 171.500 173.940 -2.440 17774
246 1 6 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.048 -2.748 17774
247 1 6 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.090 -1.090 17774
248 1 6 . 1 1 18 18 ILE C C 32 171.700 171.700 174.072 -2.372 17774
249 1 6 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.788 -4.388 17774
250 1 6 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.616 -1.416 17774
251 1 6 . 1 1 20 20 LEU C C 34 171.200 171.200 175.601 -4.401 17774
252 1 6 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.063 -2.963 17774
253 1 6 . 1 1 20 20 LEU CB C 34 43.700 43.700 43.870 -0.170 17774
254 1 6 . 1 1 21 21 MET C C 35 171.300 171.300 176.049 -4.749 17774
255 1 6 . 1 1 21 21 MET CA C 35 52.000 52.000 54.897 -2.897 17774
256 1 6 . 1 1 21 21 MET CB C 35 33.800 33.800 35.787 -1.987 17774
257 1 6 . 1 1 22 22 VAL C C 36 171.500 171.500 177.231 -5.731 17774
258 1 6 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.455 -5.955 17774
259 1 6 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.855 0.345 17774
260 1 6 . 1 1 24 24 GLY C C 38 168.000 168.000 173.833 -5.833 17774
261 1 6 . 1 1 24 24 GLY CA C 38 42.800 42.800 45.453 -2.653 17774
262 1 6 . 1 1 25 25 VAL C C 39 172.100 172.100 175.272 -3.172 17774
263 1 6 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.154 -3.454 17774
264 1 6 . 1 1 25 25 VAL CB C 39 31.200 31.200 31.955 -0.755 17774
265 1 7 . 1 1 2 2 LYS C C 16 170.700 170.700 175.171 -4.471 17774
266 1 7 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.178 -3.478 17774
267 1 7 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.744 1.656 17774
268 1 7 . 1 1 4 4 VAL C C 18 170.200 170.200 174.262 -4.062 17774
269 1 7 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.716 -3.516 17774
270 1 7 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.997 -2.397 17774
271 1 7 . 1 1 5 5 PHE C C 19 170.800 170.800 173.121 -2.321 17774
272 1 7 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.655 -3.555 17774
273 1 7 . 1 1 5 5 PHE CB C 19 41.000 41.000 40.946 0.054 17774
274 1 7 . 1 1 7 7 ALA C C 21 171.800 171.800 176.296 -4.496 17774
275 1 7 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.991 -4.191 17774
276 1 7 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.809 -0.209 17774
277 1 7 . 1 1 8 8 GLU C C 22 170.700 170.700 174.953 -4.253 17774
278 1 7 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.617 -3.018 17774
279 1 7 . 1 1 8 8 GLU CB C 22 34.400 34.400 32.419 1.981 17774
280 1 7 . 1 1 9 9 ASN C C 23 171.000 171.000 174.149 -3.149 17774
281 1 7 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.603 -3.003 17774
282 1 7 . 1 1 9 9 ASN CB C 23 39.600 39.600 40.440 -0.840 17774
283 1 7 . 1 1 14 14 LYS C C 28 173.300 173.300 176.850 -3.550 17774
284 1 7 . 1 1 14 14 LYS CA C 28 53.500 53.500 58.495 -4.995 17774
285 1 7 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.306 -2.506 17774
286 1 7 . 1 1 16 16 ALA C C 30 172.600 172.600 176.116 -3.516 17774
287 1 7 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.717 -4.316 17774
288 1 7 . 1 1 16 16 ALA CB C 30 20.100 20.100 18.829 1.271 17774
289 1 7 . 1 1 17 17 ILE C C 31 171.500 171.500 174.990 -3.490 17774
290 1 7 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.812 -3.512 17774
291 1 7 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.284 -0.284 17774
292 1 7 . 1 1 18 18 ILE C C 32 171.700 171.700 174.281 -2.581 17774
293 1 7 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.931 -4.531 17774
294 1 7 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.867 -1.667 17774
295 1 7 . 1 1 20 20 LEU C C 34 171.200 171.200 175.125 -3.925 17774
296 1 7 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.187 -3.087 17774
297 1 7 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.017 -0.317 17774
298 1 7 . 1 1 21 21 MET C C 35 171.300 171.300 175.979 -4.679 17774
299 1 7 . 1 1 21 21 MET CA C 35 52.000 52.000 55.105 -3.105 17774
300 1 7 . 1 1 21 21 MET CB C 35 33.800 33.800 35.532 -1.732 17774
301 1 7 . 1 1 22 22 VAL C C 36 171.500 171.500 176.043 -4.543 17774
302 1 7 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.179 -4.679 17774
303 1 7 . 1 1 22 22 VAL CB C 36 32.200 32.200 30.084 2.116 17774
304 1 7 . 1 1 24 24 GLY C C 38 168.000 168.000 174.834 -6.834 17774
305 1 7 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.651 -1.851 17774
306 1 7 . 1 1 25 25 VAL C C 39 172.100 172.100 175.716 -3.616 17774
307 1 7 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.710 -4.010 17774
308 1 7 . 1 1 25 25 VAL CB C 39 31.200 31.200 30.884 0.316 17774
309 1 8 . 1 1 2 2 LYS C C 16 170.700 170.700 175.362 -4.662 17774
310 1 8 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.197 -3.498 17774
311 1 8 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.281 1.119 17774
312 1 8 . 1 1 4 4 VAL C C 18 170.200 170.200 174.511 -4.311 17774
313 1 8 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.847 -3.647 17774
314 1 8 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.845 -2.245 17774
315 1 8 . 1 1 5 5 PHE C C 19 170.800 170.800 173.837 -3.037 17774
316 1 8 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.759 -3.659 17774
317 1 8 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.078 -0.078 17774
318 1 8 . 1 1 7 7 ALA C C 21 171.800 171.800 174.732 -2.932 17774
319 1 8 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.324 -3.524 17774
320 1 8 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.925 -0.325 17774
321 1 8 . 1 1 8 8 GLU C C 22 170.700 170.700 175.499 -4.799 17774
322 1 8 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.352 -2.752 17774
323 1 8 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.306 3.094 17774
324 1 8 . 1 1 9 9 ASN C C 23 171.000 171.000 174.621 -3.621 17774
325 1 8 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.471 -2.871 17774
326 1 8 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.374 0.226 17774
327 1 8 . 1 1 14 14 LYS C C 28 173.300 173.300 177.200 -3.900 17774
328 1 8 . 1 1 14 14 LYS CA C 28 53.500 53.500 55.996 -2.496 17774
329 1 8 . 1 1 14 14 LYS CB C 28 29.800 29.800 33.843 -4.043 17774
330 1 8 . 1 1 16 16 ALA C C 30 172.600 172.600 175.442 -2.842 17774
331 1 8 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.320 -3.920 17774
332 1 8 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.392 -0.292 17774
333 1 8 . 1 1 17 17 ILE C C 31 171.500 171.500 174.058 -2.558 17774
334 1 8 . 1 1 17 17 ILE CA C 31 57.300 57.300 59.944 -2.643 17774
335 1 8 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.167 -1.167 17774
336 1 8 . 1 1 18 18 ILE C C 32 171.700 171.700 174.107 -2.407 17774
337 1 8 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.824 -4.424 17774
338 1 8 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.543 -1.343 17774
339 1 8 . 1 1 20 20 LEU C C 34 171.200 171.200 174.916 -3.716 17774
340 1 8 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.997 -2.897 17774
341 1 8 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.101 -0.401 17774
342 1 8 . 1 1 21 21 MET C C 35 171.300 171.300 175.942 -4.642 17774
343 1 8 . 1 1 21 21 MET CA C 35 52.000 52.000 54.872 -2.872 17774
344 1 8 . 1 1 21 21 MET CB C 35 33.800 33.800 35.032 -1.232 17774
345 1 8 . 1 1 22 22 VAL C C 36 171.500 171.500 176.928 -5.428 17774
346 1 8 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.304 -5.804 17774
347 1 8 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.878 0.322 17774
348 1 8 . 1 1 24 24 GLY C C 38 168.000 168.000 173.584 -5.584 17774
349 1 8 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.609 -1.809 17774
350 1 8 . 1 1 25 25 VAL C C 39 172.100 172.100 175.680 -3.580 17774
351 1 8 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.233 -3.533 17774
352 1 8 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.373 -1.173 17774
353 1 9 . 1 1 2 2 LYS C C 16 170.700 170.700 175.125 -4.425 17774
354 1 9 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.394 -3.694 17774
355 1 9 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.956 1.444 17774
356 1 9 . 1 1 4 4 VAL C C 18 170.200 170.200 174.484 -4.284 17774
357 1 9 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.109 -3.909 17774
358 1 9 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.598 -1.998 17774
359 1 9 . 1 1 5 5 PHE C C 19 170.800 170.800 173.883 -3.083 17774
360 1 9 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.803 -3.703 17774
361 1 9 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.609 -0.609 17774
362 1 9 . 1 1 7 7 ALA C C 21 171.800 171.800 174.483 -2.683 17774
363 1 9 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.312 -3.512 17774
364 1 9 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.047 -0.448 17774
365 1 9 . 1 1 8 8 GLU C C 22 170.700 170.700 175.265 -4.565 17774
366 1 9 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.733 -3.133 17774
367 1 9 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.272 3.128 17774
368 1 9 . 1 1 9 9 ASN C C 23 171.000 171.000 175.310 -4.310 17774
369 1 9 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.269 -2.669 17774
370 1 9 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.758 -0.158 17774
371 1 9 . 1 1 14 14 LYS C C 28 173.300 173.300 176.250 -2.950 17774
372 1 9 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.604 -3.104 17774
373 1 9 . 1 1 14 14 LYS CB C 28 29.800 29.800 31.037 -1.236 17774
374 1 9 . 1 1 16 16 ALA C C 30 172.600 172.600 176.277 -3.677 17774
375 1 9 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.497 -3.097 17774
376 1 9 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.835 0.265 17774
377 1 9 . 1 1 17 17 ILE C C 31 171.500 171.500 175.217 -3.717 17774
378 1 9 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.995 -3.695 17774
379 1 9 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.185 -1.185 17774
380 1 9 . 1 1 18 18 ILE C C 32 171.700 171.700 174.363 -2.663 17774
381 1 9 . 1 1 18 18 ILE CA C 32 56.400 56.400 61.037 -4.637 17774
382 1 9 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.938 -1.738 17774
383 1 9 . 1 1 20 20 LEU C C 34 171.200 171.200 175.348 -4.148 17774
384 1 9 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.443 -2.343 17774
385 1 9 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.776 -1.076 17774
386 1 9 . 1 1 21 21 MET C C 35 171.300 171.300 176.274 -4.974 17774
387 1 9 . 1 1 21 21 MET CA C 35 52.000 52.000 54.556 -2.556 17774
388 1 9 . 1 1 21 21 MET CB C 35 33.800 33.800 34.954 -1.154 17774
389 1 9 . 1 1 22 22 VAL C C 36 171.500 171.500 176.717 -5.217 17774
390 1 9 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.992 -5.492 17774
391 1 9 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.595 0.605 17774
392 1 9 . 1 1 24 24 GLY C C 38 168.000 168.000 174.414 -6.414 17774
393 1 9 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.490 -1.690 17774
394 1 9 . 1 1 25 25 VAL C C 39 172.100 172.100 174.966 -2.866 17774
395 1 9 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.227 -3.527 17774
396 1 9 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.184 -0.984 17774
397 1 10 . 1 1 2 2 LYS C C 16 170.700 170.700 175.654 -4.954 17774
398 1 10 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.243 -3.543 17774
399 1 10 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.824 1.576 17774
400 1 10 . 1 1 4 4 VAL C C 18 170.200 170.200 174.511 -4.311 17774
401 1 10 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.058 -3.858 17774
402 1 10 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.625 -2.025 17774
403 1 10 . 1 1 5 5 PHE C C 19 170.800 170.800 173.566 -2.766 17774
404 1 10 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.853 -3.753 17774
405 1 10 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.646 -0.646 17774
406 1 10 . 1 1 7 7 ALA C C 21 171.800 171.800 175.624 -3.824 17774
407 1 10 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.765 -3.965 17774
408 1 10 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.689 -0.089 17774
409 1 10 . 1 1 8 8 GLU C C 22 170.700 170.700 175.171 -4.471 17774
410 1 10 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.729 -3.129 17774
411 1 10 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.727 2.674 17774
412 1 10 . 1 1 9 9 ASN C C 23 171.000 171.000 174.372 -3.372 17774
413 1 10 . 1 1 9 9 ASN CA C 23 49.600 49.600 53.164 -3.564 17774
414 1 10 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.264 0.336 17774
415 1 10 . 1 1 14 14 LYS C C 28 173.300 173.300 175.044 -1.744 17774
416 1 10 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.405 -2.905 17774
417 1 10 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.630 -2.830 17774
418 1 10 . 1 1 16 16 ALA C C 30 172.600 172.600 176.499 -3.899 17774
419 1 10 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.431 -4.031 17774
420 1 10 . 1 1 16 16 ALA CB C 30 20.100 20.100 17.962 2.138 17774
421 1 10 . 1 1 17 17 ILE C C 31 171.500 171.500 174.176 -2.676 17774
422 1 10 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.462 -3.162 17774
423 1 10 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.423 -0.423 17774
424 1 10 . 1 1 18 18 ILE C C 32 171.700 171.700 174.280 -2.580 17774
425 1 10 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.755 -4.355 17774
426 1 10 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.559 -1.359 17774
427 1 10 . 1 1 20 20 LEU C C 34 171.200 171.200 175.348 -4.148 17774
428 1 10 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.480 -2.380 17774
429 1 10 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.839 -1.139 17774
430 1 10 . 1 1 21 21 MET C C 35 171.300 171.300 175.859 -4.559 17774
431 1 10 . 1 1 21 21 MET CA C 35 52.000 52.000 54.865 -2.865 17774
432 1 10 . 1 1 21 21 MET CB C 35 33.800 33.800 35.455 -1.655 17774
433 1 10 . 1 1 22 22 VAL C C 36 171.500 171.500 177.039 -5.539 17774
434 1 10 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.884 -5.384 17774
435 1 10 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.773 0.427 17774
436 1 10 . 1 1 24 24 GLY C C 38 168.000 168.000 174.291 -6.291 17774
437 1 10 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.250 -1.450 17774
438 1 10 . 1 1 25 25 VAL C C 39 172.100 172.100 175.486 -3.386 17774
439 1 10 . 1 1 25 25 VAL CA C 39 58.700 58.700 61.510 -2.810 17774
440 1 10 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.728 -1.528 17774
441 1 11 . 1 1 2 2 LYS C C 16 170.700 170.700 174.925 -4.225 17774
442 1 11 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.130 -3.430 17774
443 1 11 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.224 1.176 17774
444 1 11 . 1 1 4 4 VAL C C 18 170.200 170.200 174.465 -4.265 17774
445 1 11 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.011 -3.811 17774
446 1 11 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.706 -2.106 17774
447 1 11 . 1 1 5 5 PHE C C 19 170.800 170.800 173.624 -2.824 17774
448 1 11 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.804 -3.704 17774
449 1 11 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.596 -0.596 17774
450 1 11 . 1 1 7 7 ALA C C 21 171.800 171.800 174.906 -3.106 17774
451 1 11 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.466 -3.666 17774
452 1 11 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.124 -0.524 17774
453 1 11 . 1 1 8 8 GLU C C 22 170.700 170.700 175.190 -4.490 17774
454 1 11 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.797 -3.197 17774
455 1 11 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.169 3.231 17774
456 1 11 . 1 1 9 9 ASN C C 23 171.000 171.000 174.085 -3.085 17774
457 1 11 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.868 -3.268 17774
458 1 11 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.552 0.048 17774
459 1 11 . 1 1 14 14 LYS C C 28 173.300 173.300 176.617 -3.317 17774
460 1 11 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.924 -3.424 17774
461 1 11 . 1 1 14 14 LYS CB C 28 29.800 29.800 33.133 -3.333 17774
462 1 11 . 1 1 16 16 ALA C C 30 172.600 172.600 176.323 -3.723 17774
463 1 11 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.049 -3.649 17774
464 1 11 . 1 1 16 16 ALA CB C 30 20.100 20.100 20.229 -0.129 17774
465 1 11 . 1 1 17 17 ILE C C 31 171.500 171.500 174.752 -3.252 17774
466 1 11 . 1 1 17 17 ILE CA C 31 57.300 57.300 59.954 -2.654 17774
467 1 11 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.466 -1.466 17774
468 1 11 . 1 1 18 18 ILE C C 32 171.700 171.700 174.590 -2.890 17774
469 1 11 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.518 -4.118 17774
470 1 11 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.250 -1.050 17774
471 1 11 . 1 1 20 20 LEU C C 34 171.200 171.200 175.537 -4.337 17774
472 1 11 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.965 -2.865 17774
473 1 11 . 1 1 20 20 LEU CB C 34 43.700 43.700 43.906 -0.206 17774
474 1 11 . 1 1 21 21 MET C C 35 171.300 171.300 176.201 -4.901 17774
475 1 11 . 1 1 21 21 MET CA C 35 52.000 52.000 54.908 -2.908 17774
476 1 11 . 1 1 21 21 MET CB C 35 33.800 33.800 34.895 -1.095 17774
477 1 11 . 1 1 22 22 VAL C C 36 171.500 171.500 176.951 -5.451 17774
478 1 11 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.125 -4.625 17774
479 1 11 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.791 0.409 17774
480 1 11 . 1 1 24 24 GLY C C 38 168.000 168.000 173.340 -5.340 17774
481 1 11 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.111 -1.312 17774
482 1 11 . 1 1 25 25 VAL C C 39 172.100 172.100 175.881 -3.781 17774
483 1 11 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.401 -3.701 17774
484 1 11 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.068 -0.868 17774
485 1 12 . 1 1 2 2 LYS C C 16 170.700 170.700 175.291 -4.591 17774
486 1 12 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.096 -3.396 17774
487 1 12 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.628 1.772 17774
488 1 12 . 1 1 4 4 VAL C C 18 170.200 170.200 174.494 -4.294 17774
489 1 12 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.023 -3.823 17774
490 1 12 . 1 1 4 4 VAL CB C 18 32.600 32.600 35.090 -2.490 17774
491 1 12 . 1 1 5 5 PHE C C 19 170.800 170.800 173.684 -2.884 17774
492 1 12 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.638 -3.538 17774
493 1 12 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.025 -0.025 17774
494 1 12 . 1 1 7 7 ALA C C 21 171.800 171.800 174.767 -2.967 17774
495 1 12 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.469 -3.669 17774
496 1 12 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.144 -0.544 17774
497 1 12 . 1 1 8 8 GLU C C 22 170.700 170.700 175.245 -4.545 17774
498 1 12 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.124 -3.524 17774
499 1 12 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.521 2.878 17774
500 1 12 . 1 1 9 9 ASN C C 23 171.000 171.000 176.026 -5.026 17774
501 1 12 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.689 -3.089 17774
502 1 12 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.224 0.376 17774
503 1 12 . 1 1 14 14 LYS C C 28 173.300 173.300 175.292 -1.992 17774
504 1 12 . 1 1 14 14 LYS CA C 28 53.500 53.500 55.684 -2.183 17774
505 1 12 . 1 1 14 14 LYS CB C 28 29.800 29.800 34.302 -4.502 17774
506 1 12 . 1 1 16 16 ALA C C 30 172.600 172.600 176.830 -4.230 17774
507 1 12 . 1 1 16 16 ALA CA C 30 48.400 48.400 51.857 -3.457 17774
508 1 12 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.536 0.564 17774
509 1 12 . 1 1 17 17 ILE C C 31 171.500 171.500 175.356 -3.856 17774
510 1 12 . 1 1 17 17 ILE CA C 31 57.300 57.300 61.089 -3.789 17774
511 1 12 . 1 1 17 17 ILE CB C 31 39.000 39.000 40.635 -1.635 17774
512 1 12 . 1 1 18 18 ILE C C 32 171.700 171.700 174.304 -2.604 17774
513 1 12 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.983 -4.583 17774
514 1 12 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.918 -1.718 17774
515 1 12 . 1 1 20 20 LEU C C 34 171.200 171.200 175.328 -4.128 17774
516 1 12 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.347 -2.247 17774
517 1 12 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.716 -1.016 17774
518 1 12 . 1 1 21 21 MET C C 35 171.300 171.300 175.784 -4.484 17774
519 1 12 . 1 1 21 21 MET CA C 35 52.000 52.000 54.499 -2.499 17774
520 1 12 . 1 1 21 21 MET CB C 35 33.800 33.800 35.144 -1.344 17774
521 1 12 . 1 1 22 22 VAL C C 36 171.500 171.500 177.296 -5.796 17774
522 1 12 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.502 -6.002 17774
523 1 12 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.697 0.503 17774
524 1 12 . 1 1 24 24 GLY C C 38 168.000 168.000 173.881 -5.881 17774
525 1 12 . 1 1 24 24 GLY CA C 38 42.800 42.800 45.487 -2.687 17774
526 1 12 . 1 1 25 25 VAL C C 39 172.100 172.100 174.555 -2.455 17774
527 1 12 . 1 1 25 25 VAL CA C 39 58.700 58.700 61.389 -2.689 17774
528 1 12 . 1 1 25 25 VAL CB C 39 31.200 31.200 34.386 -3.186 17774
529 1 13 . 1 1 2 2 LYS C C 16 170.700 170.700 175.034 -4.334 17774
530 1 13 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.516 -3.816 17774
531 1 13 . 1 1 2 2 LYS CB C 16 34.400 34.400 33.178 1.222 17774
532 1 13 . 1 1 4 4 VAL C C 18 170.200 170.200 174.483 -4.283 17774
533 1 13 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.859 -3.659 17774
534 1 13 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.871 -2.271 17774
535 1 13 . 1 1 5 5 PHE C C 19 170.800 170.800 173.494 -2.694 17774
536 1 13 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.915 -3.815 17774
537 1 13 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.204 -0.204 17774
538 1 13 . 1 1 7 7 ALA C C 21 171.800 171.800 175.234 -3.434 17774
539 1 13 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.532 -3.732 17774
540 1 13 . 1 1 7 7 ALA CB C 21 20.600 20.600 21.114 -0.514 17774
541 1 13 . 1 1 8 8 GLU C C 22 170.700 170.700 174.959 -4.259 17774
542 1 13 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.056 -3.456 17774
543 1 13 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.781 2.619 17774
544 1 13 . 1 1 9 9 ASN C C 23 171.000 171.000 175.382 -4.382 17774
545 1 13 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.539 -2.939 17774
546 1 13 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.560 0.040 17774
547 1 13 . 1 1 14 14 LYS C C 28 173.300 173.300 175.621 -2.321 17774
548 1 13 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.673 -3.173 17774
549 1 13 . 1 1 14 14 LYS CB C 28 29.800 29.800 31.172 -1.372 17774
550 1 13 . 1 1 16 16 ALA C C 30 172.600 172.600 176.662 -4.062 17774
551 1 13 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.785 -4.385 17774
552 1 13 . 1 1 16 16 ALA CB C 30 20.100 20.100 17.872 2.228 17774
553 1 13 . 1 1 17 17 ILE C C 31 171.500 171.500 174.432 -2.932 17774
554 1 13 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.408 -3.108 17774
555 1 13 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.686 -0.686 17774
556 1 13 . 1 1 18 18 ILE C C 32 171.700 171.700 174.395 -2.695 17774
557 1 13 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.919 -4.519 17774
558 1 13 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.561 -1.361 17774
559 1 13 . 1 1 20 20 LEU C C 34 171.200 171.200 175.305 -4.105 17774
560 1 13 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.804 -2.704 17774
561 1 13 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.105 -0.405 17774
562 1 13 . 1 1 21 21 MET C C 35 171.300 171.300 176.156 -4.856 17774
563 1 13 . 1 1 21 21 MET CA C 35 52.000 52.000 54.687 -2.687 17774
564 1 13 . 1 1 21 21 MET CB C 35 33.800 33.800 34.276 -0.476 17774
565 1 13 . 1 1 22 22 VAL C C 36 171.500 171.500 177.238 -5.738 17774
566 1 13 . 1 1 22 22 VAL CA C 36 57.500 57.500 63.171 -5.671 17774
567 1 13 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.088 0.112 17774
568 1 13 . 1 1 24 24 GLY C C 38 168.000 168.000 174.411 -6.411 17774
569 1 13 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.832 -2.032 17774
570 1 13 . 1 1 25 25 VAL C C 39 172.100 172.100 175.446 -3.346 17774
571 1 13 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.282 -3.582 17774
572 1 13 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.320 -1.120 17774
573 1 14 . 1 1 2 2 LYS C C 16 170.700 170.700 175.515 -4.815 17774
574 1 14 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.095 -3.395 17774
575 1 14 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.815 1.585 17774
576 1 14 . 1 1 4 4 VAL C C 18 170.200 170.200 174.430 -4.230 17774
577 1 14 . 1 1 4 4 VAL CA C 18 58.200 58.200 62.064 -3.864 17774
578 1 14 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.836 -2.236 17774
579 1 14 . 1 1 5 5 PHE C C 19 170.800 170.800 173.529 -2.729 17774
580 1 14 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.785 -3.685 17774
581 1 14 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.569 -0.570 17774
582 1 14 . 1 1 7 7 ALA C C 21 171.800 171.800 175.184 -3.384 17774
583 1 14 . 1 1 7 7 ALA CA C 21 47.800 47.800 52.079 -4.279 17774
584 1 14 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.812 -0.212 17774
585 1 14 . 1 1 8 8 GLU C C 22 170.700 170.700 175.114 -4.414 17774
586 1 14 . 1 1 8 8 GLU CA C 22 52.600 52.600 56.123 -3.523 17774
587 1 14 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.440 2.960 17774
588 1 14 . 1 1 9 9 ASN C C 23 171.000 171.000 173.985 -2.985 17774
589 1 14 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.995 -3.394 17774
590 1 14 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.034 0.566 17774
591 1 14 . 1 1 14 14 LYS C C 28 173.300 173.300 175.487 -2.187 17774
592 1 14 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.245 -2.745 17774
593 1 14 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.044 -2.244 17774
594 1 14 . 1 1 16 16 ALA C C 30 172.600 172.600 176.251 -3.651 17774
595 1 14 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.826 -4.426 17774
596 1 14 . 1 1 16 16 ALA CB C 30 20.100 20.100 18.431 1.669 17774
597 1 14 . 1 1 17 17 ILE C C 31 171.500 171.500 175.121 -3.621 17774
598 1 14 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.756 -3.456 17774
599 1 14 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.522 -0.522 17774
600 1 14 . 1 1 18 18 ILE C C 32 171.700 171.700 174.212 -2.512 17774
601 1 14 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.807 -4.407 17774
602 1 14 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.669 -1.469 17774
603 1 14 . 1 1 20 20 LEU C C 34 171.200 171.200 175.099 -3.899 17774
604 1 14 . 1 1 20 20 LEU CA C 34 51.100 51.100 54.359 -3.259 17774
605 1 14 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.180 -0.480 17774
606 1 14 . 1 1 21 21 MET C C 35 171.300 171.300 175.311 -4.011 17774
607 1 14 . 1 1 21 21 MET CA C 35 52.000 52.000 54.764 -2.764 17774
608 1 14 . 1 1 21 21 MET CB C 35 33.800 33.800 34.463 -0.663 17774
609 1 14 . 1 1 22 22 VAL C C 36 171.500 171.500 176.913 -5.413 17774
610 1 14 . 1 1 22 22 VAL CA C 36 57.500 57.500 61.345 -3.845 17774
611 1 14 . 1 1 22 22 VAL CB C 36 32.200 32.200 32.729 -0.529 17774
612 1 14 . 1 1 24 24 GLY C C 38 168.000 168.000 173.411 -5.411 17774
613 1 14 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.578 -1.778 17774
614 1 14 . 1 1 25 25 VAL C C 39 172.100 172.100 174.430 -2.330 17774
615 1 14 . 1 1 25 25 VAL CA C 39 58.700 58.700 61.661 -2.961 17774
616 1 14 . 1 1 25 25 VAL CB C 39 31.200 31.200 33.582 -2.382 17774
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 17774
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 17774
3 1 1 "Average Difference" C 15 4.059 3.934 1.037 17774
4 1 1 "Average Difference" CA 15 3.511 3.396 0.921 17774
5 1 1 "Average Difference" CB 14 1.612 0.436 1.611 17774
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 17774
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17774
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 17774
9 1 2 "Average Difference" C 15 3.976 3.853 1.018 17774
10 1 2 "Average Difference" CA 15 3.589 3.458 0.992 17774
11 1 2 "Average Difference" CB 14 1.395 0.260 1.422 17774
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 17774
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17774
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 17774
15 1 3 "Average Difference" C 15 3.971 3.830 1.086 17774
16 1 3 "Average Difference" CA 15 3.614 3.540 0.755 17774
17 1 3 "Average Difference" CB 14 1.361 0.335 1.369 17774
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 17774
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17774
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 17774
21 1 4 "Average Difference" C 15 4.238 4.110 1.068 17774
22 1 4 "Average Difference" CA 15 3.624 3.468 1.088 17774
23 1 4 "Average Difference" CB 14 1.740 0.281 1.782 17774
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 17774
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17774
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 17774
27 1 5 "Average Difference" C 15 4.163 4.039 1.046 17774
28 1 5 "Average Difference" CA 15 3.608 3.490 0.948 17774
29 1 5 "Average Difference" CB 14 1.389 0.303 1.407 17774
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 17774
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17774
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 17774
33 1 6 "Average Difference" C 15 4.110 3.966 1.117 17774
34 1 6 "Average Difference" CA 15 3.688 3.592 0.864 17774
35 1 6 "Average Difference" CB 14 1.581 0.537 1.543 17774
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 17774
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17774
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 17774
39 1 7 "Average Difference" C 15 4.096 3.966 1.059 17774
40 1 7 "Average Difference" CA 15 3.740 3.657 0.813 17774
41 1 7 "Average Difference" CB 14 1.502 0.183 1.547 17774
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 17774
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17774
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 17774
45 1 8 "Average Difference" C 15 3.989 3.868 1.011 17774
46 1 8 "Average Difference" CA 15 3.477 3.357 0.941 17774
47 1 8 "Average Difference" CB 14 1.664 0.539 1.634 17774
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 17774
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17774
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 17774
51 1 9 "Average Difference" C 15 4.129 3.998 1.065 17774
52 1 9 "Average Difference" CA 15 3.500 3.384 0.926 17774
53 1 9 "Average Difference" CB 14 1.371 0.367 1.370 17774
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 17774
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17774
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 17774
57 1 10 "Average Difference" C 15 4.070 3.901 1.202 17774
58 1 10 "Average Difference" CA 15 3.524 3.410 0.918 17774
59 1 10 "Average Difference" CB 14 1.591 0.325 1.616 17774
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 17774
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17774
62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 17774
63 1 11 "Average Difference" C 15 4.021 3.932 0.867 17774
64 1 11 "Average Difference" CA 15 3.434 3.355 0.755 17774
65 1 11 "Average Difference" CB 14 1.545 0.465 1.529 17774
66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 17774
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17774
68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 17774
69 1 12 "Average Difference" C 15 4.143 3.982 1.182 17774
70 1 12 "Average Difference" CA 15 3.540 3.412 0.976 17774
71 1 12 "Average Difference" CB 14 2.027 0.740 1.958 17774
72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 17774
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17774
74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 17774
75 1 13 "Average Difference" C 15 4.139 3.990 1.137 17774
76 1 13 "Average Difference" CA 15 3.652 3.552 0.879 17774
77 1 13 "Average Difference" CB 14 1.327 0.156 1.367 17774
78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 17774
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17774
80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 17774
81 1 14 "Average Difference" C 15 3.840 3.706 1.041 17774
82 1 14 "Average Difference" CA 15 3.519 3.452 0.707 17774
83 1 14 "Average Difference" CB 14 1.555 0.323 1.578 17774
84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 17774
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 17774
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 LYS C C 16 170.700 170.700 175.213 -4.513 17774
2 1 . 1 1 2 2 LYS CA C 16 52.700 52.700 56.254 -3.554 17774
3 1 . 1 1 2 2 LYS CB C 16 34.400 34.400 32.924 1.476 17774
4 1 . 1 1 4 4 VAL C C 18 170.200 170.200 174.500 -4.300 17774
5 1 . 1 1 4 4 VAL CA C 18 58.200 58.200 61.980 -3.780 17774
6 1 . 1 1 4 4 VAL CB C 18 32.600 32.600 34.725 -2.125 17774
7 1 . 1 1 5 5 PHE C C 19 170.800 170.800 173.584 -2.784 17774
8 1 . 1 1 5 5 PHE CA C 19 53.100 53.100 56.750 -3.651 17774
9 1 . 1 1 5 5 PHE CB C 19 41.000 41.000 41.301 -0.301 17774
10 1 . 1 1 7 7 ALA C C 21 171.800 171.800 175.134 -3.334 17774
11 1 . 1 1 7 7 ALA CA C 21 47.800 47.800 51.603 -3.803 17774
12 1 . 1 1 7 7 ALA CB C 21 20.600 20.600 20.997 -0.397 17774
13 1 . 1 1 8 8 GLU C C 22 170.700 170.700 175.238 -4.538 17774
14 1 . 1 1 8 8 GLU CA C 22 52.600 52.600 55.920 -3.320 17774
15 1 . 1 1 8 8 GLU CB C 22 34.400 34.400 31.489 2.911 17774
16 1 . 1 1 9 9 ASN C C 23 171.000 171.000 175.010 -4.010 17774
17 1 . 1 1 9 9 ASN CA C 23 49.600 49.600 52.641 -3.041 17774
18 1 . 1 1 9 9 ASN CB C 23 39.600 39.600 39.454 0.146 17774
19 1 . 1 1 14 14 LYS C C 28 173.300 173.300 176.106 -2.806 17774
20 1 . 1 1 14 14 LYS CA C 28 53.500 53.500 56.600 -3.099 17774
21 1 . 1 1 14 14 LYS CB C 28 29.800 29.800 32.466 -2.666 17774
22 1 . 1 1 16 16 ALA C C 30 172.600 172.600 176.296 -3.696 17774
23 1 . 1 1 16 16 ALA CA C 30 48.400 48.400 52.322 -3.922 17774
24 1 . 1 1 16 16 ALA CB C 30 20.100 20.100 19.321 0.779 17774
25 1 . 1 1 17 17 ILE C C 31 171.500 171.500 174.674 -3.174 17774
26 1 . 1 1 17 17 ILE CA C 31 57.300 57.300 60.540 -3.240 17774
27 1 . 1 1 17 17 ILE CB C 31 39.000 39.000 39.875 -0.875 17774
28 1 . 1 1 18 18 ILE C C 32 171.700 171.700 174.275 -2.575 17774
29 1 . 1 1 18 18 ILE CA C 32 56.400 56.400 60.850 -4.450 17774
30 1 . 1 1 18 18 ILE CB C 32 39.200 39.200 40.692 -1.492 17774
31 1 . 1 1 20 20 LEU C C 34 171.200 171.200 175.229 -4.029 17774
32 1 . 1 1 20 20 LEU CA C 34 51.100 51.100 53.761 -2.661 17774
33 1 . 1 1 20 20 LEU CB C 34 43.700 43.700 44.377 -0.677 17774
34 1 . 1 1 21 21 MET C C 35 171.300 171.300 175.919 -4.619 17774
35 1 . 1 1 21 21 MET CA C 35 52.000 52.000 54.774 -2.774 17774
36 1 . 1 1 21 21 MET CB C 35 33.800 33.800 35.027 -1.227 17774
37 1 . 1 1 22 22 VAL C C 36 171.500 171.500 176.776 -5.276 17774
38 1 . 1 1 22 22 VAL CA C 36 57.500 57.500 62.835 -5.335 17774
39 1 . 1 1 22 22 VAL CB C 36 32.200 32.200 31.794 0.406 17774
40 1 . 1 1 24 24 GLY C C 38 168.000 168.000 174.025 -6.025 17774
41 1 . 1 1 24 24 GLY CA C 38 42.800 42.800 44.619 -1.820 17774
42 1 . 1 1 25 25 VAL C C 39 172.100 172.100 175.430 -3.330 17774
43 1 . 1 1 25 25 VAL CA C 39 58.700 58.700 62.239 -3.539 17774
44 1 . 1 1 25 25 VAL CB C 39 31.200 31.200 32.407 -1.207 17774
stop_
save_