data_25901
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25901
_Entry.PDB_ID 2N9E
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 25901
_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 38 38 THR N N 38 122.811 122.811 115.884 6.927 25901
2 1 1 . 1 1 38 38 THR H H 38 7.459 7.459 8.109 -0.650 25901
3 1 1 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.417 -0.589 25901
4 1 1 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.258 1.992 25901
5 1 1 . 1 1 40 40 LEU N N 40 121.350 121.350 121.954 -0.604 25901
6 1 1 . 1 1 40 40 LEU C C 40 178.067 178.067 174.263 3.804 25901
7 1 1 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.216 1.934 25901
8 1 1 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.407 -3.389 25901
9 1 1 . 1 1 40 40 LEU H H 40 9.073 9.073 7.777 1.296 25901
10 1 1 . 1 1 41 41 SER N N 41 116.449 116.449 120.269 -3.820 25901
11 1 1 . 1 1 41 41 SER CA C 41 61.147 61.147 57.412 3.735 25901
12 1 1 . 1 1 41 41 SER H H 41 8.476 8.476 7.900 0.576 25901
13 1 1 . 1 1 42 42 LYS N N 42 118.883 118.883 126.914 -8.031 25901
14 1 1 . 1 1 42 42 LYS C C 42 179.348 179.348 175.625 3.723 25901
15 1 1 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.976 3.954 25901
16 1 1 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.241 -0.399 25901
17 1 1 . 1 1 42 42 LYS H H 42 7.720 7.720 8.520 -0.800 25901
18 1 1 . 1 1 48 48 CYS N N 48 116.931 116.931 121.225 -4.294 25901
19 1 1 . 1 1 48 48 CYS C C 48 177.207 177.207 173.942 3.265 25901
20 1 1 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.189 6.480 25901
21 1 1 . 1 1 48 48 CYS H H 48 8.438 8.438 8.257 0.181 25901
22 1 2 . 1 1 38 38 THR N N 38 122.811 122.811 113.839 8.972 25901
23 1 2 . 1 1 38 38 THR H H 38 7.459 7.459 7.906 -0.447 25901
24 1 2 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.861 -1.033 25901
25 1 2 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.430 1.820 25901
26 1 2 . 1 1 40 40 LEU N N 40 121.350 121.350 120.217 1.133 25901
27 1 2 . 1 1 40 40 LEU C C 40 178.067 178.067 175.210 2.857 25901
28 1 2 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.190 1.960 25901
29 1 2 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.531 -4.513 25901
30 1 2 . 1 1 40 40 LEU H H 40 9.073 9.073 7.753 1.320 25901
31 1 2 . 1 1 41 41 SER N N 41 116.449 116.449 120.733 -4.284 25901
32 1 2 . 1 1 41 41 SER CA C 41 61.147 61.147 57.943 3.204 25901
33 1 2 . 1 1 41 41 SER H H 41 8.476 8.476 8.290 0.186 25901
34 1 2 . 1 1 42 42 LYS N N 42 118.883 118.883 126.511 -7.628 25901
35 1 2 . 1 1 42 42 LYS C C 42 179.348 179.348 176.215 3.133 25901
36 1 2 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.978 2.952 25901
37 1 2 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.703 0.139 25901
38 1 2 . 1 1 42 42 LYS H H 42 7.720 7.720 8.365 -0.645 25901
39 1 2 . 1 1 48 48 CYS N N 48 116.931 116.931 119.175 -2.244 25901
40 1 2 . 1 1 48 48 CYS C C 48 177.207 177.207 173.455 3.752 25901
41 1 2 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.693 5.976 25901
42 1 2 . 1 1 48 48 CYS H H 48 8.438 8.438 8.268 0.170 25901
43 1 3 . 1 1 38 38 THR N N 38 122.811 122.811 115.191 7.620 25901
44 1 3 . 1 1 38 38 THR H H 38 7.459 7.459 8.217 -0.758 25901
45 1 3 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.308 -0.480 25901
46 1 3 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.707 1.543 25901
47 1 3 . 1 1 40 40 LEU N N 40 121.350 121.350 120.066 1.284 25901
48 1 3 . 1 1 40 40 LEU C C 40 178.067 178.067 174.797 3.270 25901
49 1 3 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.849 2.301 25901
50 1 3 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.101 -4.083 25901
51 1 3 . 1 1 40 40 LEU H H 40 9.073 9.073 7.684 1.389 25901
52 1 3 . 1 1 41 41 SER N N 41 116.449 116.449 119.421 -2.972 25901
53 1 3 . 1 1 41 41 SER CA C 41 61.147 61.147 57.552 3.595 25901
54 1 3 . 1 1 41 41 SER H H 41 8.476 8.476 8.045 0.431 25901
55 1 3 . 1 1 42 42 LYS N N 42 118.883 118.883 127.660 -8.777 25901
56 1 3 . 1 1 42 42 LYS C C 42 179.348 179.348 175.698 3.650 25901
57 1 3 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.875 4.055 25901
58 1 3 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.118 -0.276 25901
59 1 3 . 1 1 42 42 LYS H H 42 7.720 7.720 8.437 -0.717 25901
60 1 3 . 1 1 48 48 CYS N N 48 116.931 116.931 119.559 -2.628 25901
61 1 3 . 1 1 48 48 CYS C C 48 177.207 177.207 173.406 3.801 25901
62 1 3 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.634 6.035 25901
63 1 3 . 1 1 48 48 CYS H H 48 8.438 8.438 8.302 0.136 25901
64 1 4 . 1 1 38 38 THR N N 38 122.811 122.811 115.631 7.180 25901
65 1 4 . 1 1 38 38 THR H H 38 7.459 7.459 8.335 -0.876 25901
66 1 4 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.592 -0.764 25901
67 1 4 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.263 1.987 25901
68 1 4 . 1 1 40 40 LEU N N 40 121.350 121.350 120.615 0.735 25901
69 1 4 . 1 1 40 40 LEU C C 40 178.067 178.067 174.946 3.121 25901
70 1 4 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.502 2.648 25901
71 1 4 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.674 -3.656 25901
72 1 4 . 1 1 40 40 LEU H H 40 9.073 9.073 8.047 1.026 25901
73 1 4 . 1 1 41 41 SER N N 41 116.449 116.449 122.140 -5.691 25901
74 1 4 . 1 1 41 41 SER CA C 41 61.147 61.147 57.573 3.574 25901
75 1 4 . 1 1 41 41 SER H H 41 8.476 8.476 8.057 0.419 25901
76 1 4 . 1 1 42 42 LYS N N 42 118.883 118.883 128.331 -9.448 25901
77 1 4 . 1 1 42 42 LYS C C 42 179.348 179.348 176.492 2.856 25901
78 1 4 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.680 4.250 25901
79 1 4 . 1 1 42 42 LYS CB C 42 32.842 32.842 31.543 1.299 25901
80 1 4 . 1 1 42 42 LYS H H 42 7.720 7.720 8.560 -0.840 25901
81 1 4 . 1 1 48 48 CYS N N 48 116.931 116.931 119.146 -2.215 25901
82 1 4 . 1 1 48 48 CYS C C 48 177.207 177.207 173.163 4.044 25901
83 1 4 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.632 7.037 25901
84 1 4 . 1 1 48 48 CYS H H 48 8.438 8.438 8.630 -0.192 25901
85 1 5 . 1 1 38 38 THR N N 38 122.811 122.811 117.374 5.437 25901
86 1 5 . 1 1 38 38 THR H H 38 7.459 7.459 8.605 -1.146 25901
87 1 5 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.164 -0.336 25901
88 1 5 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.470 1.780 25901
89 1 5 . 1 1 40 40 LEU N N 40 121.350 121.350 120.934 0.416 25901
90 1 5 . 1 1 40 40 LEU C C 40 178.067 178.067 174.952 3.115 25901
91 1 5 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.033 2.116 25901
92 1 5 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.726 -3.708 25901
93 1 5 . 1 1 40 40 LEU H H 40 9.073 9.073 8.141 0.932 25901
94 1 5 . 1 1 41 41 SER N N 41 116.449 116.449 121.266 -4.817 25901
95 1 5 . 1 1 41 41 SER CA C 41 61.147 61.147 57.240 3.907 25901
96 1 5 . 1 1 41 41 SER H H 41 8.476 8.476 8.094 0.382 25901
97 1 5 . 1 1 42 42 LYS N N 42 118.883 118.883 126.648 -7.765 25901
98 1 5 . 1 1 42 42 LYS C C 42 179.348 179.348 175.498 3.850 25901
99 1 5 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.164 3.766 25901
100 1 5 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.954 -0.112 25901
101 1 5 . 1 1 42 42 LYS H H 42 7.720 7.720 8.509 -0.789 25901
102 1 5 . 1 1 48 48 CYS N N 48 116.931 116.931 120.644 -3.713 25901
103 1 5 . 1 1 48 48 CYS C C 48 177.207 177.207 173.944 3.263 25901
104 1 5 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.964 6.705 25901
105 1 5 . 1 1 48 48 CYS H H 48 8.438 8.438 8.319 0.119 25901
106 1 6 . 1 1 38 38 THR N N 38 122.811 122.811 117.175 5.636 25901
107 1 6 . 1 1 38 38 THR H H 38 7.459 7.459 8.509 -1.050 25901
108 1 6 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.536 -0.708 25901
109 1 6 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.352 1.898 25901
110 1 6 . 1 1 40 40 LEU N N 40 121.350 121.350 120.519 0.831 25901
111 1 6 . 1 1 40 40 LEU C C 40 178.067 178.067 174.778 3.289 25901
112 1 6 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.384 1.766 25901
113 1 6 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.653 -3.635 25901
114 1 6 . 1 1 40 40 LEU H H 40 9.073 9.073 7.946 1.127 25901
115 1 6 . 1 1 41 41 SER N N 41 116.449 116.449 120.968 -4.519 25901
116 1 6 . 1 1 41 41 SER CA C 41 61.147 61.147 57.260 3.887 25901
117 1 6 . 1 1 41 41 SER H H 41 8.476 8.476 7.959 0.517 25901
118 1 6 . 1 1 42 42 LYS N N 42 118.883 118.883 126.456 -7.573 25901
119 1 6 . 1 1 42 42 LYS C C 42 179.348 179.348 175.387 3.961 25901
120 1 6 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.325 3.605 25901
121 1 6 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.914 -0.072 25901
122 1 6 . 1 1 42 42 LYS H H 42 7.720 7.720 8.474 -0.754 25901
123 1 6 . 1 1 48 48 CYS N N 48 116.931 116.931 120.379 -3.448 25901
124 1 6 . 1 1 48 48 CYS C C 48 177.207 177.207 174.232 2.975 25901
125 1 6 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.015 6.654 25901
126 1 6 . 1 1 48 48 CYS H H 48 8.438 8.438 8.814 -0.376 25901
127 1 7 . 1 1 38 38 THR N N 38 122.811 122.811 117.461 5.350 25901
128 1 7 . 1 1 38 38 THR H H 38 7.459 7.459 8.585 -1.126 25901
129 1 7 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.142 -0.314 25901
130 1 7 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.357 1.893 25901
131 1 7 . 1 1 40 40 LEU N N 40 121.350 121.350 121.192 0.158 25901
132 1 7 . 1 1 40 40 LEU C C 40 178.067 178.067 174.758 3.309 25901
133 1 7 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.391 1.759 25901
134 1 7 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.215 -4.197 25901
135 1 7 . 1 1 40 40 LEU H H 40 9.073 9.073 7.748 1.325 25901
136 1 7 . 1 1 41 41 SER N N 41 116.449 116.449 119.105 -2.656 25901
137 1 7 . 1 1 41 41 SER CA C 41 61.147 61.147 57.730 3.417 25901
138 1 7 . 1 1 41 41 SER H H 41 8.476 8.476 8.112 0.364 25901
139 1 7 . 1 1 42 42 LYS N N 42 118.883 118.883 126.145 -7.262 25901
140 1 7 . 1 1 42 42 LYS C C 42 179.348 179.348 175.668 3.680 25901
141 1 7 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.330 3.600 25901
142 1 7 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.770 0.072 25901
143 1 7 . 1 1 42 42 LYS H H 42 7.720 7.720 8.375 -0.655 25901
144 1 7 . 1 1 48 48 CYS N N 48 116.931 116.931 121.160 -4.229 25901
145 1 7 . 1 1 48 48 CYS C C 48 177.207 177.207 174.266 2.941 25901
146 1 7 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.009 6.660 25901
147 1 7 . 1 1 48 48 CYS H H 48 8.438 8.438 8.843 -0.405 25901
148 1 8 . 1 1 38 38 THR N N 38 122.811 122.811 114.402 8.409 25901
149 1 8 . 1 1 38 38 THR H H 38 7.459 7.459 8.045 -0.586 25901
150 1 8 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.528 -0.700 25901
151 1 8 . 1 1 39 39 PRO CB C 39 32.250 32.250 31.593 0.657 25901
152 1 8 . 1 1 40 40 LEU N N 40 121.350 121.350 120.710 0.640 25901
153 1 8 . 1 1 40 40 LEU C C 40 178.067 178.067 175.046 3.021 25901
154 1 8 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.011 2.139 25901
155 1 8 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.198 -3.180 25901
156 1 8 . 1 1 40 40 LEU H H 40 9.073 9.073 7.853 1.220 25901
157 1 8 . 1 1 41 41 SER N N 41 116.449 116.449 121.779 -5.330 25901
158 1 8 . 1 1 41 41 SER CA C 41 61.147 61.147 57.229 3.918 25901
159 1 8 . 1 1 41 41 SER H H 41 8.476 8.476 7.999 0.477 25901
160 1 8 . 1 1 42 42 LYS N N 42 118.883 118.883 125.330 -6.447 25901
161 1 8 . 1 1 42 42 LYS C C 42 179.348 179.348 175.407 3.941 25901
162 1 8 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.567 3.363 25901
163 1 8 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.641 -0.799 25901
164 1 8 . 1 1 42 42 LYS H H 42 7.720 7.720 8.420 -0.700 25901
165 1 8 . 1 1 48 48 CYS N N 48 116.931 116.931 121.324 -4.393 25901
166 1 8 . 1 1 48 48 CYS C C 48 177.207 177.207 173.776 3.431 25901
167 1 8 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.674 6.995 25901
168 1 8 . 1 1 48 48 CYS H H 48 8.438 8.438 8.706 -0.268 25901
169 1 9 . 1 1 38 38 THR N N 38 122.811 122.811 115.313 7.498 25901
170 1 9 . 1 1 38 38 THR H H 38 7.459 7.459 8.243 -0.784 25901
171 1 9 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.669 -0.841 25901
172 1 9 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.765 1.484 25901
173 1 9 . 1 1 40 40 LEU N N 40 121.350 121.350 120.506 0.844 25901
174 1 9 . 1 1 40 40 LEU C C 40 178.067 178.067 174.558 3.509 25901
175 1 9 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.188 1.962 25901
176 1 9 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.986 -3.968 25901
177 1 9 . 1 1 40 40 LEU H H 40 9.073 9.073 7.642 1.431 25901
178 1 9 . 1 1 41 41 SER N N 41 116.449 116.449 120.017 -3.568 25901
179 1 9 . 1 1 41 41 SER CA C 41 61.147 61.147 57.884 3.263 25901
180 1 9 . 1 1 41 41 SER H H 41 8.476 8.476 7.990 0.486 25901
181 1 9 . 1 1 42 42 LYS N N 42 118.883 118.883 127.263 -8.380 25901
182 1 9 . 1 1 42 42 LYS C C 42 179.348 179.348 175.583 3.765 25901
183 1 9 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.954 3.976 25901
184 1 9 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.683 -0.841 25901
185 1 9 . 1 1 42 42 LYS H H 42 7.720 7.720 8.479 -0.759 25901
186 1 9 . 1 1 48 48 CYS N N 48 116.931 116.931 120.239 -3.308 25901
187 1 9 . 1 1 48 48 CYS C C 48 177.207 177.207 174.300 2.907 25901
188 1 9 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.016 6.653 25901
189 1 9 . 1 1 48 48 CYS H H 48 8.438 8.438 8.738 -0.300 25901
190 1 10 . 1 1 38 38 THR N N 38 122.811 122.811 114.973 7.838 25901
191 1 10 . 1 1 38 38 THR H H 38 7.459 7.459 8.189 -0.730 25901
192 1 10 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.316 -0.488 25901
193 1 10 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.398 1.852 25901
194 1 10 . 1 1 40 40 LEU N N 40 121.350 121.350 121.355 -0.005 25901
195 1 10 . 1 1 40 40 LEU C C 40 178.067 178.067 174.514 3.553 25901
196 1 10 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.093 2.057 25901
197 1 10 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.171 -3.153 25901
198 1 10 . 1 1 40 40 LEU H H 40 9.073 9.073 7.444 1.629 25901
199 1 10 . 1 1 41 41 SER N N 41 116.449 116.449 121.040 -4.591 25901
200 1 10 . 1 1 41 41 SER CA C 41 61.147 61.147 57.378 3.769 25901
201 1 10 . 1 1 41 41 SER H H 41 8.476 8.476 8.045 0.431 25901
202 1 10 . 1 1 42 42 LYS N N 42 118.883 118.883 127.981 -9.098 25901
203 1 10 . 1 1 42 42 LYS C C 42 179.348 179.348 175.534 3.814 25901
204 1 10 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.207 3.723 25901
205 1 10 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.078 -0.236 25901
206 1 10 . 1 1 42 42 LYS H H 42 7.720 7.720 8.544 -0.824 25901
207 1 10 . 1 1 48 48 CYS N N 48 116.931 116.931 120.887 -3.956 25901
208 1 10 . 1 1 48 48 CYS C C 48 177.207 177.207 173.292 3.915 25901
209 1 10 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.467 7.202 25901
210 1 10 . 1 1 48 48 CYS H H 48 8.438 8.438 8.706 -0.268 25901
211 1 11 . 1 1 38 38 THR N N 38 122.811 122.811 113.915 8.896 25901
212 1 11 . 1 1 38 38 THR H H 38 7.459 7.459 7.965 -0.506 25901
213 1 11 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.885 -1.057 25901
214 1 11 . 1 1 39 39 PRO CB C 39 32.250 32.250 31.722 0.528 25901
215 1 11 . 1 1 40 40 LEU N N 40 121.350 121.350 120.473 0.877 25901
216 1 11 . 1 1 40 40 LEU C C 40 178.067 178.067 174.801 3.266 25901
217 1 11 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.557 2.593 25901
218 1 11 . 1 1 40 40 LEU CB C 40 41.018 41.018 43.730 -2.712 25901
219 1 11 . 1 1 40 40 LEU H H 40 9.073 9.073 7.553 1.520 25901
220 1 11 . 1 1 41 41 SER N N 41 116.449 116.449 121.617 -5.168 25901
221 1 11 . 1 1 41 41 SER CA C 41 61.147 61.147 57.222 3.925 25901
222 1 11 . 1 1 41 41 SER H H 41 8.476 8.476 8.365 0.111 25901
223 1 11 . 1 1 42 42 LYS N N 42 118.883 118.883 127.642 -8.759 25901
224 1 11 . 1 1 42 42 LYS C C 42 179.348 179.348 175.707 3.641 25901
225 1 11 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.475 3.455 25901
226 1 11 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.368 0.474 25901
227 1 11 . 1 1 42 42 LYS H H 42 7.720 7.720 8.485 -0.765 25901
228 1 11 . 1 1 48 48 CYS N N 48 116.931 116.931 121.943 -5.012 25901
229 1 11 . 1 1 48 48 CYS C C 48 177.207 177.207 173.139 4.068 25901
230 1 11 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.566 6.103 25901
231 1 11 . 1 1 48 48 CYS H H 48 8.438 8.438 8.596 -0.158 25901
232 1 12 . 1 1 38 38 THR N N 38 122.811 122.811 114.348 8.463 25901
233 1 12 . 1 1 38 38 THR H H 38 7.459 7.459 8.257 -0.798 25901
234 1 12 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.788 -0.960 25901
235 1 12 . 1 1 39 39 PRO CB C 39 32.250 32.250 32.163 0.087 25901
236 1 12 . 1 1 40 40 LEU N N 40 121.350 121.350 121.649 -0.299 25901
237 1 12 . 1 1 40 40 LEU C C 40 178.067 178.067 175.474 2.593 25901
238 1 12 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.567 2.583 25901
239 1 12 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.184 -4.166 25901
240 1 12 . 1 1 40 40 LEU H H 40 9.073 9.073 7.942 1.131 25901
241 1 12 . 1 1 41 41 SER N N 41 116.449 116.449 123.348 -6.899 25901
242 1 12 . 1 1 41 41 SER CA C 41 61.147 61.147 57.781 3.366 25901
243 1 12 . 1 1 41 41 SER H H 41 8.476 8.476 8.029 0.447 25901
244 1 12 . 1 1 42 42 LYS N N 42 118.883 118.883 127.016 -8.133 25901
245 1 12 . 1 1 42 42 LYS C C 42 179.348 179.348 176.150 3.198 25901
246 1 12 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.499 3.431 25901
247 1 12 . 1 1 42 42 LYS CB C 42 32.842 32.842 31.963 0.879 25901
248 1 12 . 1 1 42 42 LYS H H 42 7.720 7.720 8.377 -0.657 25901
249 1 12 . 1 1 48 48 CYS N N 48 116.931 116.931 120.091 -3.160 25901
250 1 12 . 1 1 48 48 CYS C C 48 177.207 177.207 174.411 2.796 25901
251 1 12 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.322 6.347 25901
252 1 12 . 1 1 48 48 CYS H H 48 8.438 8.438 8.867 -0.429 25901
253 1 13 . 1 1 38 38 THR N N 38 122.811 122.811 114.650 8.161 25901
254 1 13 . 1 1 38 38 THR H H 38 7.459 7.459 8.059 -0.600 25901
255 1 13 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.543 -0.715 25901
256 1 13 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.493 1.757 25901
257 1 13 . 1 1 40 40 LEU N N 40 121.350 121.350 120.606 0.744 25901
258 1 13 . 1 1 40 40 LEU C C 40 178.067 178.067 174.820 3.247 25901
259 1 13 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.137 2.013 25901
260 1 13 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.964 -3.946 25901
261 1 13 . 1 1 40 40 LEU H H 40 9.073 9.073 7.724 1.349 25901
262 1 13 . 1 1 41 41 SER N N 41 116.449 116.449 119.328 -2.879 25901
263 1 13 . 1 1 41 41 SER CA C 41 61.147 61.147 57.616 3.531 25901
264 1 13 . 1 1 41 41 SER H H 41 8.476 8.476 7.967 0.509 25901
265 1 13 . 1 1 42 42 LYS N N 42 118.883 118.883 126.530 -7.647 25901
266 1 13 . 1 1 42 42 LYS C C 42 179.348 179.348 176.005 3.343 25901
267 1 13 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.782 4.148 25901
268 1 13 . 1 1 42 42 LYS CB C 42 32.842 32.842 34.611 -1.769 25901
269 1 13 . 1 1 42 42 LYS H H 42 7.720 7.720 8.624 -0.904 25901
270 1 13 . 1 1 48 48 CYS N N 48 116.931 116.931 121.012 -4.081 25901
271 1 13 . 1 1 48 48 CYS C C 48 177.207 177.207 174.689 2.518 25901
272 1 13 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.619 7.050 25901
273 1 13 . 1 1 48 48 CYS H H 48 8.438 8.438 8.487 -0.049 25901
274 1 14 . 1 1 38 38 THR N N 38 122.811 122.811 114.407 8.404 25901
275 1 14 . 1 1 38 38 THR H H 38 7.459 7.459 7.980 -0.521 25901
276 1 14 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.282 -0.454 25901
277 1 14 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.470 1.780 25901
278 1 14 . 1 1 40 40 LEU N N 40 121.350 121.350 121.144 0.206 25901
279 1 14 . 1 1 40 40 LEU C C 40 178.067 178.067 174.869 3.198 25901
280 1 14 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.352 1.798 25901
281 1 14 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.707 -3.689 25901
282 1 14 . 1 1 40 40 LEU H H 40 9.073 9.073 7.766 1.307 25901
283 1 14 . 1 1 41 41 SER N N 41 116.449 116.449 120.646 -4.197 25901
284 1 14 . 1 1 41 41 SER CA C 41 61.147 61.147 57.018 4.129 25901
285 1 14 . 1 1 41 41 SER H H 41 8.476 8.476 8.057 0.419 25901
286 1 14 . 1 1 42 42 LYS N N 42 118.883 118.883 125.950 -7.067 25901
287 1 14 . 1 1 42 42 LYS C C 42 179.348 179.348 175.428 3.920 25901
288 1 14 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.683 4.247 25901
289 1 14 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.614 -0.772 25901
290 1 14 . 1 1 42 42 LYS H H 42 7.720 7.720 8.444 -0.724 25901
291 1 14 . 1 1 48 48 CYS N N 48 116.931 116.931 123.007 -6.076 25901
292 1 14 . 1 1 48 48 CYS C C 48 177.207 177.207 174.865 2.342 25901
293 1 14 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.172 6.497 25901
294 1 14 . 1 1 48 48 CYS H H 48 8.438 8.438 8.522 -0.084 25901
295 1 15 . 1 1 38 38 THR N N 38 122.811 122.811 113.782 9.029 25901
296 1 15 . 1 1 38 38 THR H H 38 7.459 7.459 7.882 -0.423 25901
297 1 15 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.393 -0.565 25901
298 1 15 . 1 1 39 39 PRO CB C 39 32.250 32.250 31.930 0.320 25901
299 1 15 . 1 1 40 40 LEU N N 40 121.350 121.350 120.416 0.934 25901
300 1 15 . 1 1 40 40 LEU C C 40 178.067 178.067 174.752 3.315 25901
301 1 15 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.639 2.511 25901
302 1 15 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.430 -4.412 25901
303 1 15 . 1 1 40 40 LEU H H 40 9.073 9.073 7.769 1.304 25901
304 1 15 . 1 1 41 41 SER N N 41 116.449 116.449 118.815 -2.366 25901
305 1 15 . 1 1 41 41 SER CA C 41 61.147 61.147 57.639 3.508 25901
306 1 15 . 1 1 41 41 SER H H 41 8.476 8.476 7.836 0.640 25901
307 1 15 . 1 1 42 42 LYS N N 42 118.883 118.883 127.536 -8.653 25901
308 1 15 . 1 1 42 42 LYS C C 42 179.348 179.348 175.577 3.771 25901
309 1 15 . 1 1 42 42 LYS CA C 42 59.930 59.930 55.942 3.988 25901
310 1 15 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.300 -0.458 25901
311 1 15 . 1 1 42 42 LYS H H 42 7.720 7.720 8.529 -0.809 25901
312 1 15 . 1 1 48 48 CYS N N 48 116.931 116.931 121.734 -4.803 25901
313 1 15 . 1 1 48 48 CYS C C 48 177.207 177.207 173.863 3.344 25901
314 1 15 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.606 7.063 25901
315 1 15 . 1 1 48 48 CYS H H 48 8.438 8.438 8.678 -0.240 25901
316 1 16 . 1 1 38 38 THR N N 38 122.811 122.811 114.531 8.280 25901
317 1 16 . 1 1 38 38 THR H H 38 7.459 7.459 8.370 -0.911 25901
318 1 16 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.757 -0.929 25901
319 1 16 . 1 1 39 39 PRO CB C 39 32.250 32.250 31.502 0.748 25901
320 1 16 . 1 1 40 40 LEU N N 40 121.350 121.350 120.389 0.961 25901
321 1 16 . 1 1 40 40 LEU C C 40 178.067 178.067 175.198 2.869 25901
322 1 16 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.797 2.353 25901
323 1 16 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.283 -4.265 25901
324 1 16 . 1 1 40 40 LEU H H 40 9.073 9.073 7.731 1.342 25901
325 1 16 . 1 1 41 41 SER N N 41 116.449 116.449 118.598 -2.149 25901
326 1 16 . 1 1 41 41 SER CA C 41 61.147 61.147 57.444 3.703 25901
327 1 16 . 1 1 41 41 SER H H 41 8.476 8.476 7.914 0.562 25901
328 1 16 . 1 1 42 42 LYS N N 42 118.883 118.883 125.360 -6.477 25901
329 1 16 . 1 1 42 42 LYS C C 42 179.348 179.348 175.717 3.631 25901
330 1 16 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.369 3.561 25901
331 1 16 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.148 -0.306 25901
332 1 16 . 1 1 42 42 LYS H H 42 7.720 7.720 8.410 -0.690 25901
333 1 16 . 1 1 48 48 CYS N N 48 116.931 116.931 121.496 -4.565 25901
334 1 16 . 1 1 48 48 CYS C C 48 177.207 177.207 174.721 2.486 25901
335 1 16 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.081 6.588 25901
336 1 16 . 1 1 48 48 CYS H H 48 8.438 8.438 8.887 -0.449 25901
337 1 17 . 1 1 38 38 THR N N 38 122.811 122.811 114.341 8.470 25901
338 1 17 . 1 1 38 38 THR H H 38 7.459 7.459 8.054 -0.595 25901
339 1 17 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.955 -1.127 25901
340 1 17 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.598 1.652 25901
341 1 17 . 1 1 40 40 LEU N N 40 121.350 121.350 120.707 0.643 25901
342 1 17 . 1 1 40 40 LEU C C 40 178.067 178.067 174.817 3.250 25901
343 1 17 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.183 1.967 25901
344 1 17 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.624 -3.606 25901
345 1 17 . 1 1 40 40 LEU H H 40 9.073 9.073 7.712 1.361 25901
346 1 17 . 1 1 41 41 SER N N 41 116.449 116.449 120.635 -4.186 25901
347 1 17 . 1 1 41 41 SER CA C 41 61.147 61.147 57.966 3.181 25901
348 1 17 . 1 1 41 41 SER H H 41 8.476 8.476 8.272 0.204 25901
349 1 17 . 1 1 42 42 LYS N N 42 118.883 118.883 126.882 -7.999 25901
350 1 17 . 1 1 42 42 LYS C C 42 179.348 179.348 175.837 3.511 25901
351 1 17 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.322 3.608 25901
352 1 17 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.081 -0.239 25901
353 1 17 . 1 1 42 42 LYS H H 42 7.720 7.720 8.443 -0.723 25901
354 1 17 . 1 1 48 48 CYS N N 48 116.931 116.931 120.343 -3.412 25901
355 1 17 . 1 1 48 48 CYS C C 48 177.207 177.207 173.950 3.257 25901
356 1 17 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.260 6.409 25901
357 1 17 . 1 1 48 48 CYS H H 48 8.438 8.438 8.880 -0.442 25901
358 1 18 . 1 1 38 38 THR N N 38 122.811 122.811 114.665 8.146 25901
359 1 18 . 1 1 38 38 THR H H 38 7.459 7.459 8.259 -0.800 25901
360 1 18 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.409 -0.581 25901
361 1 18 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.820 1.430 25901
362 1 18 . 1 1 40 40 LEU N N 40 121.350 121.350 121.134 0.216 25901
363 1 18 . 1 1 40 40 LEU C C 40 178.067 178.067 174.967 3.100 25901
364 1 18 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.924 2.226 25901
365 1 18 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.503 -3.485 25901
366 1 18 . 1 1 40 40 LEU H H 40 9.073 9.073 7.697 1.376 25901
367 1 18 . 1 1 41 41 SER N N 41 116.449 116.449 121.398 -4.949 25901
368 1 18 . 1 1 41 41 SER CA C 41 61.147 61.147 57.214 3.933 25901
369 1 18 . 1 1 41 41 SER H H 41 8.476 8.476 7.661 0.815 25901
370 1 18 . 1 1 42 42 LYS N N 42 118.883 118.883 127.625 -8.742 25901
371 1 18 . 1 1 42 42 LYS C C 42 179.348 179.348 175.576 3.772 25901
372 1 18 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.150 3.780 25901
373 1 18 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.163 -0.321 25901
374 1 18 . 1 1 42 42 LYS H H 42 7.720 7.720 8.543 -0.823 25901
375 1 18 . 1 1 48 48 CYS N N 48 116.931 116.931 121.457 -4.526 25901
376 1 18 . 1 1 48 48 CYS C C 48 177.207 177.207 174.470 2.737 25901
377 1 18 . 1 1 48 48 CYS CA C 48 65.669 65.669 58.718 6.951 25901
378 1 18 . 1 1 48 48 CYS H H 48 8.438 8.438 8.692 -0.254 25901
379 1 19 . 1 1 38 38 THR N N 38 122.811 122.811 114.691 8.120 25901
380 1 19 . 1 1 38 38 THR H H 38 7.459 7.459 8.220 -0.761 25901
381 1 19 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.726 -0.898 25901
382 1 19 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.190 2.060 25901
383 1 19 . 1 1 40 40 LEU N N 40 121.350 121.350 120.429 0.921 25901
384 1 19 . 1 1 40 40 LEU C C 40 178.067 178.067 174.906 3.161 25901
385 1 19 . 1 1 40 40 LEU CA C 40 57.150 57.150 55.266 1.884 25901
386 1 19 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.740 -3.722 25901
387 1 19 . 1 1 40 40 LEU H H 40 9.073 9.073 7.793 1.280 25901
388 1 19 . 1 1 41 41 SER N N 41 116.449 116.449 121.296 -4.847 25901
389 1 19 . 1 1 41 41 SER CA C 41 61.147 61.147 57.675 3.472 25901
390 1 19 . 1 1 41 41 SER H H 41 8.476 8.476 8.017 0.459 25901
391 1 19 . 1 1 42 42 LYS N N 42 118.883 118.883 127.387 -8.504 25901
392 1 19 . 1 1 42 42 LYS C C 42 179.348 179.348 175.475 3.873 25901
393 1 19 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.198 3.732 25901
394 1 19 . 1 1 42 42 LYS CB C 42 32.842 32.842 32.983 -0.141 25901
395 1 19 . 1 1 42 42 LYS H H 42 7.720 7.720 8.548 -0.828 25901
396 1 19 . 1 1 48 48 CYS N N 48 116.931 116.931 121.668 -4.737 25901
397 1 19 . 1 1 48 48 CYS C C 48 177.207 177.207 174.229 2.978 25901
398 1 19 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.258 6.411 25901
399 1 19 . 1 1 48 48 CYS H H 48 8.438 8.438 8.849 -0.411 25901
400 1 20 . 1 1 38 38 THR N N 38 122.811 122.811 114.252 8.559 25901
401 1 20 . 1 1 38 38 THR H H 38 7.459 7.459 8.050 -0.591 25901
402 1 20 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.946 -1.118 25901
403 1 20 . 1 1 39 39 PRO CB C 39 32.250 32.250 31.416 0.834 25901
404 1 20 . 1 1 40 40 LEU N N 40 121.350 121.350 119.054 2.296 25901
405 1 20 . 1 1 40 40 LEU C C 40 178.067 178.067 174.639 3.428 25901
406 1 20 . 1 1 40 40 LEU CA C 40 57.150 57.150 53.646 3.504 25901
407 1 20 . 1 1 40 40 LEU CB C 40 41.018 41.018 45.443 -4.425 25901
408 1 20 . 1 1 40 40 LEU H H 40 9.073 9.073 7.333 1.740 25901
409 1 20 . 1 1 41 41 SER N N 41 116.449 116.449 118.479 -2.030 25901
410 1 20 . 1 1 41 41 SER CA C 41 61.147 61.147 57.417 3.730 25901
411 1 20 . 1 1 41 41 SER H H 41 8.476 8.476 7.954 0.522 25901
412 1 20 . 1 1 42 42 LYS N N 42 118.883 118.883 124.022 -5.139 25901
413 1 20 . 1 1 42 42 LYS C C 42 179.348 179.348 175.285 4.063 25901
414 1 20 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.499 3.431 25901
415 1 20 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.953 -1.111 25901
416 1 20 . 1 1 42 42 LYS H H 42 7.720 7.720 8.400 -0.680 25901
417 1 20 . 1 1 48 48 CYS N N 48 116.931 116.931 121.604 -4.673 25901
418 1 20 . 1 1 48 48 CYS C C 48 177.207 177.207 174.120 3.087 25901
419 1 20 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.211 6.458 25901
420 1 20 . 1 1 48 48 CYS H H 48 8.438 8.438 8.899 -0.461 25901
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 5 5.401 1.964 5.625 25901
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25901
3 1 1 "Average Difference" C 3 3.605 -3.597 0.291 25901
4 1 1 "Average Difference" CA 5 3.890 -3.103 2.623 25901
5 1 1 "Average Difference" CB 3 2.281 0.599 2.696 25901
6 1 1 "Average Difference" HN 5 0.788 -0.121 0.871 25901
7 1 2 "Average Difference" N 5 5.716 0.810 6.326 25901
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25901
9 1 2 "Average Difference" C 3 3.269 -3.247 0.458 25901
10 1 2 "Average Difference" CA 5 3.453 -2.612 2.525 25901
11 1 2 "Average Difference" CB 3 2.811 0.852 3.281 25901
12 1 2 "Average Difference" HN 5 0.696 -0.117 0.767 25901
13 1 3 "Average Difference" N 5 5.522 1.095 6.052 25901
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25901
15 1 3 "Average Difference" C 3 3.581 -3.574 0.274 25901
16 1 3 "Average Difference" CA 5 3.777 -3.101 2.410 25901
17 1 3 "Average Difference" CB 3 2.525 0.939 2.871 25901
18 1 3 "Average Difference" HN 5 0.803 -0.096 0.891 25901
19 1 4 "Average Difference" N 5 5.977 1.888 6.341 25901
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25901
21 1 4 "Average Difference" C 3 3.379 -3.340 0.624 25901
22 1 4 "Average Difference" CA 5 4.194 -3.349 2.823 25901
23 1 4 "Average Difference" CB 3 2.516 0.123 3.078 25901
24 1 4 "Average Difference" HN 5 0.740 0.093 0.821 25901
25 1 5 "Average Difference" N 5 5.040 2.088 5.129 25901
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25901
27 1 5 "Average Difference" C 3 3.424 -3.409 0.389 25901
28 1 5 "Average Difference" CA 5 3.975 -3.232 2.587 25901
29 1 5 "Average Difference" CB 3 2.376 0.680 2.788 25901
30 1 5 "Average Difference" HN 5 0.770 0.101 0.853 25901
31 1 6 "Average Difference" N 5 4.942 1.815 5.139 25901
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25901
33 1 6 "Average Difference" C 3 3.433 -3.408 0.504 25901
34 1 6 "Average Difference" CA 5 3.899 -3.041 2.728 25901
35 1 6 "Average Difference" CB 3 2.368 0.603 2.804 25901
36 1 6 "Average Difference" HN 5 0.819 0.107 0.907 25901
37 1 7 "Average Difference" N 5 4.611 1.728 4.780 25901
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25901
39 1 7 "Average Difference" C 3 3.324 -3.310 0.370 25901
40 1 7 "Average Difference" CA 5 3.800 -3.024 2.571 25901
41 1 7 "Average Difference" CB 3 2.659 0.744 3.126 25901
42 1 7 "Average Difference" HN 5 0.866 0.100 0.962 25901
43 1 8 "Average Difference" N 5 5.664 1.424 6.129 25901
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25901
45 1 8 "Average Difference" C 3 3.485 -3.464 0.461 25901
46 1 8 "Average Difference" CA 5 4.016 -3.143 2.796 25901
47 1 8 "Average Difference" CB 3 1.931 1.108 1.937 25901
48 1 8 "Average Difference" HN 5 0.724 -0.029 0.809 25901
49 1 9 "Average Difference" N 5 5.492 1.383 5.943 25901
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25901
51 1 9 "Average Difference" C 3 3.413 -3.394 0.440 25901
52 1 9 "Average Difference" CA 5 3.880 -3.003 2.747 25901
53 1 9 "Average Difference" CB 3 2.494 1.108 2.736 25901
54 1 9 "Average Difference" HN 5 0.844 -0.015 0.944 25901
55 1 10 "Average Difference" N 5 6.016 1.962 6.358 25901
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25901
57 1 10 "Average Difference" C 3 3.764 -3.761 0.187 25901
58 1 10 "Average Difference" CA 5 4.108 -3.252 2.807 25901
59 1 10 "Average Difference" CB 3 2.116 0.512 2.514 25901
60 1 10 "Average Difference" HN 5 0.908 -0.048 1.014 25901
61 1 11 "Average Difference" N 5 6.457 1.833 6.922 25901
62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 25901
63 1 11 "Average Difference" C 3 3.673 -3.658 0.401 25901
64 1 11 "Average Difference" CA 5 3.806 -3.004 2.613 25901
65 1 11 "Average Difference" CB 3 1.618 0.570 1.855 25901
66 1 11 "Average Difference" HN 5 0.799 -0.041 0.892 25901
67 1 12 "Average Difference" N 5 6.252 2.006 6.621 25901
68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 25901
69 1 12 "Average Difference" C 3 2.873 -2.862 0.308 25901
70 1 12 "Average Difference" CA 5 3.768 -2.953 2.616 25901
71 1 12 "Average Difference" CB 3 2.458 1.067 2.713 25901
72 1 12 "Average Difference" HN 5 0.739 0.061 0.823 25901
73 1 13 "Average Difference" N 5 5.488 1.140 6.002 25901
74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 25901
75 1 13 "Average Difference" C 3 3.058 -3.036 0.451 25901
76 1 13 "Average Difference" CA 5 4.097 -3.205 2.853 25901
77 1 13 "Average Difference" CB 3 2.695 1.320 2.878 25901
78 1 13 "Average Difference" HN 5 0.807 -0.061 0.900 25901
79 1 14 "Average Difference" N 5 5.919 1.746 6.323 25901
80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 25901
81 1 14 "Average Difference" C 3 3.219 -3.153 0.790 25901
82 1 14 "Average Difference" CA 5 4.018 -3.243 2.652 25901
83 1 14 "Average Difference" CB 3 2.407 0.894 2.737 25901
84 1 14 "Average Difference" HN 5 0.733 -0.080 0.815 25901
85 1 15 "Average Difference" N 5 6.098 1.172 6.691 25901
86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 25901
87 1 15 "Average Difference" C 3 3.483 -3.477 0.255 25901
88 1 15 "Average Difference" CA 5 4.117 -3.301 2.749 25901
89 1 15 "Average Difference" CB 3 2.568 1.517 2.537 25901
90 1 15 "Average Difference" HN 5 0.775 -0.094 0.860 25901
91 1 16 "Average Difference" N 5 5.232 0.790 5.783 25901
92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 25901
93 1 16 "Average Difference" C 3 3.033 -2.995 0.583 25901
94 1 16 "Average Difference" CA 5 3.904 -3.055 2.717 25901
95 1 16 "Average Difference" CB 3 2.506 1.274 2.643 25901
96 1 16 "Average Difference" HN 5 0.851 0.029 0.951 25901
97 1 17 "Average Difference" N 5 5.750 1.297 6.263 25901
98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 25901
99 1 17 "Average Difference" C 3 3.342 -3.339 0.149 25901
100 1 17 "Average Difference" CA 5 3.724 -2.808 2.736 25901
101 1 17 "Average Difference" CB 3 2.294 0.731 2.663 25901
102 1 17 "Average Difference" HN 5 0.770 0.039 0.860 25901
103 1 18 "Average Difference" N 5 6.129 1.971 6.488 25901
104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 25901
105 1 18 "Average Difference" C 3 3.232 -3.203 0.525 25901
106 1 18 "Average Difference" CA 5 4.083 -3.262 2.746 25901
107 1 18 "Average Difference" CB 3 2.183 0.792 2.491 25901
108 1 18 "Average Difference" HN 5 0.888 -0.063 0.990 25901
109 1 19 "Average Difference" N 5 6.083 1.809 6.494 25901
110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 25901
111 1 19 "Average Difference" C 3 3.360 -3.337 0.473 25901
112 1 19 "Average Difference" CA 5 3.780 -2.920 2.683 25901
113 1 19 "Average Difference" CB 3 2.458 0.601 2.918 25901
114 1 19 "Average Difference" HN 5 0.811 0.052 0.904 25901
115 1 20 "Average Difference" N 5 5.117 0.197 5.716 25901
116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 25901
117 1 20 "Average Difference" C 3 3.549 -3.526 0.495 25901
118 1 20 "Average Difference" CA 5 4.023 -3.201 2.724 25901
119 1 20 "Average Difference" CB 3 2.678 1.567 2.659 25901
120 1 20 "Average Difference" HN 5 0.930 -0.106 1.033 25901
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 25901
_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 38 38 THR N N 38 122.811 122.811 115.041 7.770 25901
2 1 . 1 1 38 38 THR H H 38 7.459 7.459 8.192 -0.733 25901
3 1 . 1 1 39 39 PRO CA C 39 62.828 62.828 63.561 -0.733 25901
4 1 . 1 1 39 39 PRO CB C 39 32.250 32.250 30.845 1.405 25901
5 1 . 1 1 40 40 LEU N N 40 121.350 121.350 120.703 0.647 25901
6 1 . 1 1 40 40 LEU C C 40 178.067 178.067 174.853 3.214 25901
7 1 . 1 1 40 40 LEU CA C 40 57.150 57.150 54.946 2.204 25901
8 1 . 1 1 40 40 LEU CB C 40 41.018 41.018 44.813 -3.795 25901
9 1 . 1 1 40 40 LEU H H 40 9.073 9.073 7.753 1.320 25901
10 1 . 1 1 41 41 SER N N 41 116.449 116.449 120.545 -4.096 25901
11 1 . 1 1 41 41 SER CA C 41 61.147 61.147 57.510 3.637 25901
12 1 . 1 1 41 41 SER H H 41 8.476 8.476 8.028 0.448 25901
13 1 . 1 1 42 42 LYS N N 42 118.883 118.883 126.759 -7.876 25901
14 1 . 1 1 42 42 LYS C C 42 179.348 179.348 175.693 3.655 25901
15 1 . 1 1 42 42 LYS CA C 42 59.930 59.930 56.199 3.731 25901
16 1 . 1 1 42 42 LYS CB C 42 32.842 32.842 33.091 -0.249 25901
17 1 . 1 1 42 42 LYS H H 42 7.720 7.720 8.474 -0.754 25901
18 1 . 1 1 48 48 CYS N N 48 116.931 116.931 120.905 -3.974 25901
19 1 . 1 1 48 48 CYS C C 48 177.207 177.207 174.012 3.195 25901
20 1 . 1 1 48 48 CYS CA C 48 65.669 65.669 59.055 6.614 25901
21 1 . 1 1 48 48 CYS H H 48 8.438 8.438 8.647 -0.209 25901
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