data_18931
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18931
_Entry.PDB_ID 2M2S
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 18931
_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 VAL HA H 2 4.263 4.263 4.304 -0.041 18931
2 1 1 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.940 -0.094 18931
3 1 1 . 1 1 2 2 VAL CB C 2 33.231 33.231 32.333 0.898 18931
4 1 1 . 1 1 2 2 VAL H H 2 7.806 7.806 7.673 0.133 18931
5 1 1 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.340 0.116 18931
6 1 1 . 1 1 3 3 CYS CA C 3 55.303 55.303 58.119 -2.816 18931
7 1 1 . 1 1 3 3 CYS CB C 3 46.230 46.230 26.575 19.655 18931
8 1 1 . 1 1 3 3 CYS H H 3 9.056 9.056 8.952 0.104 18931
9 1 1 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.070 -0.135 18931
10 1 1 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.955 -0.032 18931
11 1 1 . 1 1 9 9 ARG CB C 9 28.289 28.289 29.214 -0.925 18931
12 1 1 . 1 1 9 9 ARG H H 9 9.481 9.481 8.938 0.543 18931
13 1 1 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.614 0.661 18931
14 1 1 . 1 1 10 10 GLY H H 10 8.452 8.452 8.386 0.066 18931
15 1 1 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.221 0.340 18931
16 1 1 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.697 -2.502 18931
17 1 1 . 1 1 16 16 CYS CB C 16 47.716 47.716 26.489 21.227 18931
18 1 1 . 1 1 16 16 CYS H H 16 9.063 9.063 8.724 0.339 18931
19 1 1 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.712 -0.218 18931
20 1 1 . 1 1 17 17 ARG CA C 17 55.611 55.611 54.566 1.045 18931
21 1 1 . 1 1 17 17 ARG CB C 17 32.734 32.734 32.504 0.230 18931
22 1 1 . 1 1 17 17 ARG H H 17 8.687 8.687 9.150 -0.463 18931
23 1 2 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.303 -0.040 18931
24 1 2 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.563 0.282 18931
25 1 2 . 1 1 2 2 VAL CB C 2 33.231 33.231 31.875 1.357 18931
26 1 2 . 1 1 2 2 VAL H H 2 7.806 7.806 7.676 0.130 18931
27 1 2 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.378 0.078 18931
28 1 2 . 1 1 3 3 CYS CA C 3 55.303 55.303 57.952 -2.648 18931
29 1 2 . 1 1 3 3 CYS CB C 3 46.230 46.230 28.554 17.676 18931
30 1 2 . 1 1 3 3 CYS H H 3 9.056 9.056 8.864 0.192 18931
31 1 2 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.095 -0.160 18931
32 1 2 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.847 0.076 18931
33 1 2 . 1 1 9 9 ARG CB C 9 28.289 28.289 28.652 -0.363 18931
34 1 2 . 1 1 9 9 ARG H H 9 9.481 9.481 9.103 0.378 18931
35 1 2 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.854 0.421 18931
36 1 2 . 1 1 10 10 GLY H H 10 8.452 8.452 8.223 0.229 18931
37 1 2 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.400 0.161 18931
38 1 2 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.392 -2.197 18931
39 1 2 . 1 1 16 16 CYS CB C 16 47.716 47.716 27.044 20.672 18931
40 1 2 . 1 1 16 16 CYS H H 16 9.063 9.063 8.734 0.329 18931
41 1 2 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.622 -0.128 18931
42 1 2 . 1 1 17 17 ARG CA C 17 55.611 55.611 55.507 0.104 18931
43 1 2 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.558 -0.824 18931
44 1 2 . 1 1 17 17 ARG H H 17 8.687 8.687 9.158 -0.471 18931
45 1 3 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.356 -0.093 18931
46 1 3 . 1 1 2 2 VAL CA C 2 61.845 61.845 60.878 0.967 18931
47 1 3 . 1 1 2 2 VAL CB C 2 33.231 33.231 31.795 1.436 18931
48 1 3 . 1 1 2 2 VAL H H 2 7.806 7.806 7.705 0.101 18931
49 1 3 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.192 0.264 18931
50 1 3 . 1 1 3 3 CYS CA C 3 55.303 55.303 58.351 -3.048 18931
51 1 3 . 1 1 3 3 CYS CB C 3 46.230 46.230 26.615 19.615 18931
52 1 3 . 1 1 3 3 CYS H H 3 9.056 9.056 8.948 0.107 18931
53 1 3 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.064 -0.129 18931
54 1 3 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.867 0.056 18931
55 1 3 . 1 1 9 9 ARG CB C 9 28.289 28.289 29.224 -0.935 18931
56 1 3 . 1 1 9 9 ARG H H 9 9.481 9.481 8.792 0.689 18931
57 1 3 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.657 0.618 18931
58 1 3 . 1 1 10 10 GLY H H 10 8.452 8.452 8.393 0.059 18931
59 1 3 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.222 0.339 18931
60 1 3 . 1 1 16 16 CYS CA C 16 55.195 55.195 58.018 -2.823 18931
61 1 3 . 1 1 16 16 CYS CB C 16 47.716 47.716 26.448 21.268 18931
62 1 3 . 1 1 16 16 CYS H H 16 9.063 9.063 8.615 0.448 18931
63 1 3 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.607 -0.113 18931
64 1 3 . 1 1 17 17 ARG CA C 17 55.611 55.611 55.781 -0.169 18931
65 1 3 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.729 -0.995 18931
66 1 3 . 1 1 17 17 ARG H H 17 8.687 8.687 8.941 -0.254 18931
67 1 4 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.107 0.156 18931
68 1 4 . 1 1 2 2 VAL CA C 2 61.845 61.845 62.916 -1.071 18931
69 1 4 . 1 1 2 2 VAL CB C 2 33.231 33.231 32.150 1.081 18931
70 1 4 . 1 1 2 2 VAL H H 2 7.806 7.806 7.702 0.104 18931
71 1 4 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.578 -0.122 18931
72 1 4 . 1 1 3 3 CYS CA C 3 55.303 55.303 57.711 -2.408 18931
73 1 4 . 1 1 3 3 CYS CB C 3 46.230 46.230 28.151 18.078 18931
74 1 4 . 1 1 3 3 CYS H H 3 9.056 9.056 8.864 0.192 18931
75 1 4 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.062 -0.127 18931
76 1 4 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.834 0.089 18931
77 1 4 . 1 1 9 9 ARG CB C 9 28.289 28.289 29.140 -0.851 18931
78 1 4 . 1 1 9 9 ARG H H 9 9.481 9.481 8.809 0.672 18931
79 1 4 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.639 0.637 18931
80 1 4 . 1 1 10 10 GLY H H 10 8.452 8.452 8.511 -0.059 18931
81 1 4 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.583 -0.022 18931
82 1 4 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.849 -2.655 18931
83 1 4 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.603 18.113 18931
84 1 4 . 1 1 16 16 CYS H H 16 9.063 9.063 8.585 0.477 18931
85 1 4 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.683 -0.189 18931
86 1 4 . 1 1 17 17 ARG CA C 17 55.611 55.611 55.040 0.571 18931
87 1 4 . 1 1 17 17 ARG CB C 17 32.734 32.734 31.981 0.753 18931
88 1 4 . 1 1 17 17 ARG H H 17 8.687 8.687 9.172 -0.485 18931
89 1 5 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.354 -0.091 18931
90 1 5 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.162 0.683 18931
91 1 5 . 1 1 2 2 VAL CB C 2 33.231 33.231 34.162 -0.931 18931
92 1 5 . 1 1 2 2 VAL H H 2 7.806 7.806 7.636 0.170 18931
93 1 5 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.036 0.420 18931
94 1 5 . 1 1 3 3 CYS CA C 3 55.303 55.303 58.259 -2.956 18931
95 1 5 . 1 1 3 3 CYS CB C 3 46.230 46.230 26.034 20.196 18931
96 1 5 . 1 1 3 3 CYS H H 3 9.056 9.056 8.981 0.075 18931
97 1 5 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.070 -0.135 18931
98 1 5 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.707 0.216 18931
99 1 5 . 1 1 9 9 ARG CB C 9 28.289 28.289 29.315 -1.026 18931
100 1 5 . 1 1 9 9 ARG H H 9 9.481 9.481 8.828 0.653 18931
101 1 5 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.873 0.402 18931
102 1 5 . 1 1 10 10 GLY H H 10 8.452 8.452 8.407 0.045 18931
103 1 5 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.177 0.384 18931
104 1 5 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.317 -2.122 18931
105 1 5 . 1 1 16 16 CYS CB C 16 47.716 47.716 26.370 21.346 18931
106 1 5 . 1 1 16 16 CYS H H 16 9.063 9.063 8.756 0.307 18931
107 1 5 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.655 -0.161 18931
108 1 5 . 1 1 17 17 ARG CA C 17 55.611 55.611 54.120 1.491 18931
109 1 5 . 1 1 17 17 ARG CB C 17 32.734 32.734 32.770 -0.036 18931
110 1 5 . 1 1 17 17 ARG H H 17 8.687 8.687 8.998 -0.311 18931
111 1 6 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.285 -0.022 18931
112 1 6 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.450 0.395 18931
113 1 6 . 1 1 2 2 VAL CB C 2 33.231 33.231 31.446 1.785 18931
114 1 6 . 1 1 2 2 VAL H H 2 7.806 7.806 7.712 0.094 18931
115 1 6 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.033 0.423 18931
116 1 6 . 1 1 3 3 CYS CA C 3 55.303 55.303 58.337 -3.034 18931
117 1 6 . 1 1 3 3 CYS CB C 3 46.230 46.230 26.563 19.667 18931
118 1 6 . 1 1 3 3 CYS H H 3 9.056 9.056 8.893 0.163 18931
119 1 6 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.019 -0.084 18931
120 1 6 . 1 1 9 9 ARG CA C 9 56.923 56.923 57.014 -0.091 18931
121 1 6 . 1 1 9 9 ARG CB C 9 28.289 28.289 29.334 -1.046 18931
122 1 6 . 1 1 9 9 ARG H H 9 9.481 9.481 8.790 0.691 18931
123 1 6 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.697 0.578 18931
124 1 6 . 1 1 10 10 GLY H H 10 8.452 8.452 8.382 0.070 18931
125 1 6 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.286 0.275 18931
126 1 6 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.318 -2.123 18931
127 1 6 . 1 1 16 16 CYS CB C 16 47.716 47.716 26.799 20.918 18931
128 1 6 . 1 1 16 16 CYS H H 16 9.063 9.063 8.782 0.281 18931
129 1 6 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.671 -0.177 18931
130 1 6 . 1 1 17 17 ARG CA C 17 55.611 55.611 54.924 0.687 18931
131 1 6 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.379 -0.645 18931
132 1 6 . 1 1 17 17 ARG H H 17 8.687 8.687 8.878 -0.191 18931
133 1 7 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.146 0.117 18931
134 1 7 . 1 1 2 2 VAL CA C 2 61.845 61.845 62.460 -0.615 18931
135 1 7 . 1 1 2 2 VAL CB C 2 33.231 33.231 32.153 1.078 18931
136 1 7 . 1 1 2 2 VAL H H 2 7.806 7.806 7.744 0.062 18931
137 1 7 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.069 0.387 18931
138 1 7 . 1 1 3 3 CYS CA C 3 55.303 55.303 58.073 -2.770 18931
139 1 7 . 1 1 3 3 CYS CB C 3 46.230 46.230 25.948 20.282 18931
140 1 7 . 1 1 3 3 CYS H H 3 9.056 9.056 8.921 0.135 18931
141 1 7 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.096 -0.161 18931
142 1 7 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.608 0.315 18931
143 1 7 . 1 1 9 9 ARG CB C 9 28.289 28.289 28.686 -0.397 18931
144 1 7 . 1 1 9 9 ARG H H 9 9.481 9.481 9.076 0.405 18931
145 1 7 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.939 0.336 18931
146 1 7 . 1 1 10 10 GLY H H 10 8.452 8.452 8.290 0.162 18931
147 1 7 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.093 0.468 18931
148 1 7 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.317 -2.122 18931
149 1 7 . 1 1 16 16 CYS CB C 16 47.716 47.716 27.438 20.278 18931
150 1 7 . 1 1 16 16 CYS H H 16 9.063 9.063 8.655 0.408 18931
151 1 7 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.680 -0.186 18931
152 1 7 . 1 1 17 17 ARG CA C 17 55.611 55.611 53.545 2.066 18931
153 1 7 . 1 1 17 17 ARG CB C 17 32.734 32.734 30.704 2.030 18931
154 1 7 . 1 1 17 17 ARG H H 17 8.687 8.687 9.046 -0.359 18931
155 1 8 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.261 0.002 18931
156 1 8 . 1 1 2 2 VAL CA C 2 61.845 61.845 62.060 -0.215 18931
157 1 8 . 1 1 2 2 VAL CB C 2 33.231 33.231 31.888 1.343 18931
158 1 8 . 1 1 2 2 VAL H H 2 7.806 7.806 7.791 0.015 18931
159 1 8 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.059 0.397 18931
160 1 8 . 1 1 3 3 CYS CA C 3 55.303 55.303 58.350 -3.047 18931
161 1 8 . 1 1 3 3 CYS CB C 3 46.230 46.230 26.148 20.082 18931
162 1 8 . 1 1 3 3 CYS H H 3 9.056 9.056 8.929 0.127 18931
163 1 8 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.071 -0.136 18931
164 1 8 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.727 0.196 18931
165 1 8 . 1 1 9 9 ARG CB C 9 28.289 28.289 29.401 -1.112 18931
166 1 8 . 1 1 9 9 ARG H H 9 9.481 9.481 8.832 0.649 18931
167 1 8 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.604 0.671 18931
168 1 8 . 1 1 10 10 GLY H H 10 8.452 8.452 8.478 -0.026 18931
169 1 8 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.429 0.132 18931
170 1 8 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.032 -1.837 18931
171 1 8 . 1 1 16 16 CYS CB C 16 47.716 47.716 28.104 19.612 18931
172 1 8 . 1 1 16 16 CYS H H 16 9.063 9.063 8.658 0.405 18931
173 1 8 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.672 -0.178 18931
174 1 8 . 1 1 17 17 ARG CA C 17 55.611 55.611 55.474 0.137 18931
175 1 8 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.863 -1.129 18931
176 1 8 . 1 1 17 17 ARG H H 17 8.687 8.687 8.794 -0.107 18931
177 1 9 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.334 -0.071 18931
178 1 9 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.537 0.308 18931
179 1 9 . 1 1 2 2 VAL CB C 2 33.231 33.231 33.052 0.179 18931
180 1 9 . 1 1 2 2 VAL H H 2 7.806 7.806 7.717 0.089 18931
181 1 9 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.081 0.375 18931
182 1 9 . 1 1 3 3 CYS CA C 3 55.303 55.303 58.103 -2.800 18931
183 1 9 . 1 1 3 3 CYS CB C 3 46.230 46.230 25.674 20.556 18931
184 1 9 . 1 1 3 3 CYS H H 3 9.056 9.056 8.968 0.088 18931
185 1 9 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.053 -0.118 18931
186 1 9 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.511 0.412 18931
187 1 9 . 1 1 9 9 ARG CB C 9 28.289 28.289 28.674 -0.385 18931
188 1 9 . 1 1 9 9 ARG H H 9 9.481 9.481 8.805 0.676 18931
189 1 9 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.718 0.557 18931
190 1 9 . 1 1 10 10 GLY H H 10 8.452 8.452 8.286 0.166 18931
191 1 9 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.345 0.216 18931
192 1 9 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.303 -2.108 18931
193 1 9 . 1 1 16 16 CYS CB C 16 47.716 47.716 26.629 21.087 18931
194 1 9 . 1 1 16 16 CYS H H 16 9.063 9.063 8.527 0.536 18931
195 1 9 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.657 -0.163 18931
196 1 9 . 1 1 17 17 ARG CA C 17 55.611 55.611 54.911 0.700 18931
197 1 9 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.466 -0.732 18931
198 1 9 . 1 1 17 17 ARG H H 17 8.687 8.687 9.020 -0.333 18931
199 1 10 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.466 -0.203 18931
200 1 10 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.055 0.790 18931
201 1 10 . 1 1 2 2 VAL CB C 2 33.231 33.231 33.863 -0.632 18931
202 1 10 . 1 1 2 2 VAL H H 2 7.806 7.806 7.738 0.068 18931
203 1 10 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.481 -0.025 18931
204 1 10 . 1 1 3 3 CYS CA C 3 55.303 55.303 57.734 -2.432 18931
205 1 10 . 1 1 3 3 CYS CB C 3 46.230 46.230 27.079 19.151 18931
206 1 10 . 1 1 3 3 CYS H H 3 9.056 9.056 8.948 0.108 18931
207 1 10 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.071 -0.136 18931
208 1 10 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.788 0.135 18931
209 1 10 . 1 1 9 9 ARG CB C 9 28.289 28.289 28.611 -0.322 18931
210 1 10 . 1 1 9 9 ARG H H 9 9.481 9.481 8.995 0.486 18931
211 1 10 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.803 0.472 18931
212 1 10 . 1 1 10 10 GLY H H 10 8.452 8.452 8.211 0.241 18931
213 1 10 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.528 0.033 18931
214 1 10 . 1 1 16 16 CYS CA C 16 55.195 55.195 56.945 -1.750 18931
215 1 10 . 1 1 16 16 CYS CB C 16 47.716 47.716 26.816 20.900 18931
216 1 10 . 1 1 16 16 CYS H H 16 9.063 9.063 8.757 0.306 18931
217 1 10 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.584 -0.090 18931
218 1 10 . 1 1 17 17 ARG CA C 17 55.611 55.611 55.181 0.430 18931
219 1 10 . 1 1 17 17 ARG CB C 17 32.734 32.734 32.818 -0.084 18931
220 1 10 . 1 1 17 17 ARG H H 17 8.687 8.687 9.057 -0.370 18931
221 1 11 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.426 -0.163 18931
222 1 11 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.314 0.531 18931
223 1 11 . 1 1 2 2 VAL CB C 2 33.231 33.231 33.990 -0.759 18931
224 1 11 . 1 1 2 2 VAL H H 2 7.806 7.806 7.640 0.166 18931
225 1 11 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.640 -0.184 18931
226 1 11 . 1 1 3 3 CYS CA C 3 55.303 55.303 57.723 -2.420 18931
227 1 11 . 1 1 3 3 CYS CB C 3 46.230 46.230 28.986 17.244 18931
228 1 11 . 1 1 3 3 CYS H H 3 9.056 9.056 8.816 0.240 18931
229 1 11 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.056 -0.121 18931
230 1 11 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.848 0.075 18931
231 1 11 . 1 1 9 9 ARG CB C 9 28.289 28.289 29.070 -0.781 18931
232 1 11 . 1 1 9 9 ARG H H 9 9.481 9.481 8.950 0.531 18931
233 1 11 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.684 0.591 18931
234 1 11 . 1 1 10 10 GLY H H 10 8.452 8.452 8.446 0.006 18931
235 1 11 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.456 0.105 18931
236 1 11 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.826 -2.631 18931
237 1 11 . 1 1 16 16 CYS CB C 16 47.716 47.716 27.367 20.349 18931
238 1 11 . 1 1 16 16 CYS H H 16 9.063 9.063 8.676 0.387 18931
239 1 11 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.608 -0.114 18931
240 1 11 . 1 1 17 17 ARG CA C 17 55.611 55.611 55.629 -0.018 18931
241 1 11 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.323 -0.589 18931
242 1 11 . 1 1 17 17 ARG H H 17 8.687 8.687 9.217 -0.530 18931
243 1 12 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.519 -0.256 18931
244 1 12 . 1 1 2 2 VAL CA C 2 61.845 61.845 60.681 1.164 18931
245 1 12 . 1 1 2 2 VAL CB C 2 33.231 33.231 35.023 -1.792 18931
246 1 12 . 1 1 2 2 VAL H H 2 7.806 7.806 7.771 0.035 18931
247 1 12 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.115 0.341 18931
248 1 12 . 1 1 3 3 CYS CA C 3 55.303 55.303 58.048 -2.745 18931
249 1 12 . 1 1 3 3 CYS CB C 3 46.230 46.230 25.968 20.262 18931
250 1 12 . 1 1 3 3 CYS H H 3 9.056 9.056 8.747 0.309 18931
251 1 12 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.060 -0.125 18931
252 1 12 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.522 0.401 18931
253 1 12 . 1 1 9 9 ARG CB C 9 28.289 28.289 28.775 -0.486 18931
254 1 12 . 1 1 9 9 ARG H H 9 9.481 9.481 8.798 0.683 18931
255 1 12 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.581 0.694 18931
256 1 12 . 1 1 10 10 GLY H H 10 8.452 8.452 8.369 0.083 18931
257 1 12 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.270 0.291 18931
258 1 12 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.495 -2.300 18931
259 1 12 . 1 1 16 16 CYS CB C 16 47.716 47.716 26.436 21.280 18931
260 1 12 . 1 1 16 16 CYS H H 16 9.063 9.063 8.501 0.562 18931
261 1 12 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.728 -0.234 18931
262 1 12 . 1 1 17 17 ARG CA C 17 55.611 55.611 53.457 2.154 18931
263 1 12 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.503 -0.769 18931
264 1 12 . 1 1 17 17 ARG H H 17 8.687 8.687 8.923 -0.236 18931
265 1 13 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.648 -0.385 18931
266 1 13 . 1 1 2 2 VAL CA C 2 61.845 61.845 60.220 1.625 18931
267 1 13 . 1 1 2 2 VAL CB C 2 33.231 33.231 34.670 -1.439 18931
268 1 13 . 1 1 2 2 VAL H H 2 7.806 7.806 7.670 0.136 18931
269 1 13 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.554 -0.098 18931
270 1 13 . 1 1 3 3 CYS CA C 3 55.303 55.303 57.900 -2.597 18931
271 1 13 . 1 1 3 3 CYS CB C 3 46.230 46.230 27.953 18.277 18931
272 1 13 . 1 1 3 3 CYS H H 3 9.056 9.056 8.747 0.309 18931
273 1 13 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.089 -0.154 18931
274 1 13 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.867 0.056 18931
275 1 13 . 1 1 9 9 ARG CB C 9 28.289 28.289 28.702 -0.413 18931
276 1 13 . 1 1 9 9 ARG H H 9 9.481 9.481 9.143 0.338 18931
277 1 13 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.682 0.593 18931
278 1 13 . 1 1 10 10 GLY H H 10 8.452 8.452 8.237 0.215 18931
279 1 13 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.618 -0.057 18931
280 1 13 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.472 -2.277 18931
281 1 13 . 1 1 16 16 CYS CB C 16 47.716 47.716 27.577 20.139 18931
282 1 13 . 1 1 16 16 CYS H H 16 9.063 9.063 8.769 0.294 18931
283 1 13 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.686 -0.192 18931
284 1 13 . 1 1 17 17 ARG CA C 17 55.611 55.611 54.816 0.795 18931
285 1 13 . 1 1 17 17 ARG CB C 17 32.734 32.734 32.897 -0.163 18931
286 1 13 . 1 1 17 17 ARG H H 17 8.687 8.687 9.266 -0.579 18931
287 1 14 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.313 -0.050 18931
288 1 14 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.918 -0.073 18931
289 1 14 . 1 1 2 2 VAL CB C 2 33.231 33.231 32.361 0.870 18931
290 1 14 . 1 1 2 2 VAL H H 2 7.806 7.806 7.658 0.148 18931
291 1 14 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.383 0.073 18931
292 1 14 . 1 1 3 3 CYS CA C 3 55.303 55.303 58.026 -2.723 18931
293 1 14 . 1 1 3 3 CYS CB C 3 46.230 46.230 27.799 18.431 18931
294 1 14 . 1 1 3 3 CYS H H 3 9.056 9.056 8.950 0.106 18931
295 1 14 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.068 -0.133 18931
296 1 14 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.955 -0.032 18931
297 1 14 . 1 1 9 9 ARG CB C 9 28.289 28.289 29.334 -1.045 18931
298 1 14 . 1 1 9 9 ARG H H 9 9.481 9.481 9.070 0.411 18931
299 1 14 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.882 0.394 18931
300 1 14 . 1 1 10 10 GLY H H 10 8.452 8.452 8.300 0.152 18931
301 1 14 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.565 -0.004 18931
302 1 14 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.046 -1.851 18931
303 1 14 . 1 1 16 16 CYS CB C 16 47.716 47.716 28.542 19.174 18931
304 1 14 . 1 1 16 16 CYS H H 16 9.063 9.063 8.718 0.345 18931
305 1 14 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.651 -0.157 18931
306 1 14 . 1 1 17 17 ARG CA C 17 55.611 55.611 54.934 0.677 18931
307 1 14 . 1 1 17 17 ARG CB C 17 32.734 32.734 32.616 0.118 18931
308 1 14 . 1 1 17 17 ARG H H 17 8.687 8.687 9.028 -0.341 18931
309 1 15 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.306 -0.043 18931
310 1 15 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.791 0.054 18931
311 1 15 . 1 1 2 2 VAL CB C 2 33.231 33.231 32.194 1.037 18931
312 1 15 . 1 1 2 2 VAL H H 2 7.806 7.806 7.722 0.084 18931
313 1 15 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.600 -0.144 18931
314 1 15 . 1 1 3 3 CYS CA C 3 55.303 55.303 57.963 -2.660 18931
315 1 15 . 1 1 3 3 CYS CB C 3 46.230 46.230 29.110 17.120 18931
316 1 15 . 1 1 3 3 CYS H H 3 9.056 9.056 8.925 0.131 18931
317 1 15 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.087 -0.152 18931
318 1 15 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.133 0.791 18931
319 1 15 . 1 1 9 9 ARG CB C 9 28.289 28.289 28.652 -0.363 18931
320 1 15 . 1 1 9 9 ARG H H 9 9.481 9.481 9.033 0.448 18931
321 1 15 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.742 0.533 18931
322 1 15 . 1 1 10 10 GLY H H 10 8.452 8.452 8.355 0.097 18931
323 1 15 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.745 -0.184 18931
324 1 15 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.823 -2.628 18931
325 1 15 . 1 1 16 16 CYS CB C 16 47.716 47.716 30.035 17.681 18931
326 1 15 . 1 1 16 16 CYS H H 16 9.063 9.063 8.638 0.425 18931
327 1 15 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.624 -0.130 18931
328 1 15 . 1 1 17 17 ARG CA C 17 55.611 55.611 55.453 0.158 18931
329 1 15 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.184 -0.450 18931
330 1 15 . 1 1 17 17 ARG H H 17 8.687 8.687 9.191 -0.504 18931
331 1 16 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.527 -0.264 18931
332 1 16 . 1 1 2 2 VAL CA C 2 61.845 61.845 60.348 1.497 18931
333 1 16 . 1 1 2 2 VAL CB C 2 33.231 33.231 34.796 -1.565 18931
334 1 16 . 1 1 2 2 VAL H H 2 7.806 7.806 7.746 0.060 18931
335 1 16 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.339 0.117 18931
336 1 16 . 1 1 3 3 CYS CA C 3 55.303 55.303 57.820 -2.517 18931
337 1 16 . 1 1 3 3 CYS CB C 3 46.230 46.230 29.007 17.223 18931
338 1 16 . 1 1 3 3 CYS H H 3 9.056 9.056 8.699 0.357 18931
339 1 16 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.067 -0.132 18931
340 1 16 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.784 0.139 18931
341 1 16 . 1 1 9 9 ARG CB C 9 28.289 28.289 29.189 -0.900 18931
342 1 16 . 1 1 9 9 ARG H H 9 9.481 9.481 8.748 0.733 18931
343 1 16 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.608 0.666 18931
344 1 16 . 1 1 10 10 GLY H H 10 8.452 8.452 8.502 -0.050 18931
345 1 16 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.405 0.156 18931
346 1 16 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.361 -2.166 18931
347 1 16 . 1 1 16 16 CYS CB C 16 47.716 47.716 27.280 20.436 18931
348 1 16 . 1 1 16 16 CYS H H 16 9.063 9.063 8.628 0.435 18931
349 1 16 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.630 -0.136 18931
350 1 16 . 1 1 17 17 ARG CA C 17 55.611 55.611 55.718 -0.107 18931
351 1 16 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.966 -1.232 18931
352 1 16 . 1 1 17 17 ARG H H 17 8.687 8.687 9.248 -0.561 18931
353 1 17 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.397 -0.134 18931
354 1 17 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.392 0.453 18931
355 1 17 . 1 1 2 2 VAL CB C 2 33.231 33.231 33.472 -0.241 18931
356 1 17 . 1 1 2 2 VAL H H 2 7.806 7.806 7.721 0.085 18931
357 1 17 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.572 -0.116 18931
358 1 17 . 1 1 3 3 CYS CA C 3 55.303 55.303 57.876 -2.573 18931
359 1 17 . 1 1 3 3 CYS CB C 3 46.230 46.230 26.985 19.245 18931
360 1 17 . 1 1 3 3 CYS H H 3 9.056 9.056 8.864 0.192 18931
361 1 17 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.096 -0.161 18931
362 1 17 . 1 1 9 9 ARG CA C 9 56.923 56.923 57.034 -0.111 18931
363 1 17 . 1 1 9 9 ARG CB C 9 28.289 28.289 29.229 -0.940 18931
364 1 17 . 1 1 9 9 ARG H H 9 9.481 9.481 9.171 0.310 18931
365 1 17 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.912 0.363 18931
366 1 17 . 1 1 10 10 GLY H H 10 8.452 8.452 8.370 0.082 18931
367 1 17 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.482 0.079 18931
368 1 17 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.724 -2.529 18931
369 1 17 . 1 1 16 16 CYS CB C 16 47.716 47.716 27.866 19.850 18931
370 1 17 . 1 1 16 16 CYS H H 16 9.063 9.063 8.702 0.361 18931
371 1 17 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.574 -0.080 18931
372 1 17 . 1 1 17 17 ARG CA C 17 55.611 55.611 55.693 -0.082 18931
373 1 17 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.563 -0.829 18931
374 1 17 . 1 1 17 17 ARG H H 17 8.687 8.687 8.928 -0.241 18931
375 1 18 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.450 -0.187 18931
376 1 18 . 1 1 2 2 VAL CA C 2 61.845 61.845 60.913 0.932 18931
377 1 18 . 1 1 2 2 VAL CB C 2 33.231 33.231 34.773 -1.542 18931
378 1 18 . 1 1 2 2 VAL H H 2 7.806 7.806 7.708 0.098 18931
379 1 18 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.522 -0.066 18931
380 1 18 . 1 1 3 3 CYS CA C 3 55.303 55.303 57.784 -2.481 18931
381 1 18 . 1 1 3 3 CYS CB C 3 46.230 46.230 27.873 18.357 18931
382 1 18 . 1 1 3 3 CYS H H 3 9.056 9.056 8.735 0.321 18931
383 1 18 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.168 -0.233 18931
384 1 18 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.456 0.467 18931
385 1 18 . 1 1 9 9 ARG CB C 9 28.289 28.289 29.461 -1.172 18931
386 1 18 . 1 1 9 9 ARG H H 9 9.481 9.481 9.047 0.434 18931
387 1 18 . 1 1 10 10 GLY CA C 10 45.275 45.275 45.146 0.129 18931
388 1 18 . 1 1 10 10 GLY H H 10 8.452 8.452 8.349 0.103 18931
389 1 18 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.688 -0.127 18931
390 1 18 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.070 -1.875 18931
391 1 18 . 1 1 16 16 CYS CB C 16 47.716 47.716 28.374 19.342 18931
392 1 18 . 1 1 16 16 CYS H H 16 9.063 9.063 8.730 0.333 18931
393 1 18 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.587 -0.093 18931
394 1 18 . 1 1 17 17 ARG CA C 17 55.611 55.611 55.169 0.442 18931
395 1 18 . 1 1 17 17 ARG CB C 17 32.734 32.734 32.638 0.096 18931
396 1 18 . 1 1 17 17 ARG H H 17 8.687 8.687 9.014 -0.327 18931
397 1 19 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.612 -0.349 18931
398 1 19 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.095 0.750 18931
399 1 19 . 1 1 2 2 VAL CB C 2 33.231 33.231 33.443 -0.212 18931
400 1 19 . 1 1 2 2 VAL H H 2 7.806 7.806 7.749 0.057 18931
401 1 19 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.562 -0.106 18931
402 1 19 . 1 1 3 3 CYS CA C 3 55.303 55.303 57.762 -2.459 18931
403 1 19 . 1 1 3 3 CYS CB C 3 46.230 46.230 29.898 16.332 18931
404 1 19 . 1 1 3 3 CYS H H 3 9.056 9.056 8.800 0.256 18931
405 1 19 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.085 -0.150 18931
406 1 19 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.939 -0.016 18931
407 1 19 . 1 1 9 9 ARG CB C 9 28.289 28.289 28.745 -0.456 18931
408 1 19 . 1 1 9 9 ARG H H 9 9.481 9.481 9.108 0.373 18931
409 1 19 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.810 0.465 18931
410 1 19 . 1 1 10 10 GLY H H 10 8.452 8.452 8.179 0.273 18931
411 1 19 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.747 -0.186 18931
412 1 19 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.081 -1.886 18931
413 1 19 . 1 1 16 16 CYS CB C 16 47.716 47.716 29.670 18.046 18931
414 1 19 . 1 1 16 16 CYS H H 16 9.063 9.063 8.749 0.314 18931
415 1 19 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.706 -0.212 18931
416 1 19 . 1 1 17 17 ARG CA C 17 55.611 55.611 55.301 0.310 18931
417 1 19 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.160 -0.426 18931
418 1 19 . 1 1 17 17 ARG H H 17 8.687 8.687 9.297 -0.610 18931
419 1 20 . 1 1 2 2 VAL HA H 2 4.263 4.263 4.450 -0.187 18931
420 1 20 . 1 1 2 2 VAL CA C 2 61.845 61.845 59.967 1.878 18931
421 1 20 . 1 1 2 2 VAL CB C 2 33.231 33.231 31.226 2.006 18931
422 1 20 . 1 1 2 2 VAL H H 2 7.806 7.806 7.727 0.079 18931
423 1 20 . 1 1 3 3 CYS HA H 3 5.456 5.456 4.887 0.569 18931
424 1 20 . 1 1 3 3 CYS CA C 3 55.303 55.303 58.861 -3.558 18931
425 1 20 . 1 1 3 3 CYS CB C 3 46.230 46.230 25.482 20.748 18931
426 1 20 . 1 1 3 3 CYS H H 3 9.056 9.056 8.899 0.157 18931
427 1 20 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.061 -0.126 18931
428 1 20 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.743 0.180 18931
429 1 20 . 1 1 9 9 ARG CB C 9 28.289 28.289 28.344 -0.055 18931
430 1 20 . 1 1 9 9 ARG H H 9 9.481 9.481 9.253 0.228 18931
431 1 20 . 1 1 10 10 GLY CA C 10 45.275 45.275 45.010 0.265 18931
432 1 20 . 1 1 10 10 GLY H H 10 8.452 8.452 8.234 0.218 18931
433 1 20 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.010 0.551 18931
434 1 20 . 1 1 16 16 CYS CA C 16 55.195 55.195 58.337 -3.142 18931
435 1 20 . 1 1 16 16 CYS CB C 16 47.716 47.716 26.026 21.689 18931
436 1 20 . 1 1 16 16 CYS H H 16 9.063 9.063 8.830 0.233 18931
437 1 20 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.721 -0.227 18931
438 1 20 . 1 1 17 17 ARG CA C 17 55.611 55.611 54.527 1.084 18931
439 1 20 . 1 1 17 17 ARG CB C 17 32.734 32.734 32.374 0.360 18931
440 1 20 . 1 1 17 17 ARG H H 17 8.687 8.687 8.852 -0.165 18931
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 18931
2 1 1 "Average Difference" HA 7 0.265 -0.080 0.273 18931
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18931
4 1 1 "Average Difference" CA 6 1.619 0.623 1.637 18931
5 1 1 "Average Difference" CB 5 12.951 -8.217 11.192 18931
6 1 1 "Average Difference" HN 6 0.331 -0.120 0.338 18931
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18931
8 1 2 "Average Difference" HA 7 0.229 -0.058 0.240 18931
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18931
10 1 2 "Average Difference" CA 6 1.421 0.660 1.378 18931
11 1 2 "Average Difference" CB 5 12.186 -7.704 10.556 18931
12 1 2 "Average Difference" HN 6 0.311 -0.131 0.309 18931
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18931
14 1 3 "Average Difference" HA 7 0.276 -0.114 0.271 18931
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18931
16 1 3 "Average Difference" CA 6 1.761 0.733 1.754 18931
17 1 3 "Average Difference" CB 5 12.969 -8.078 11.344 18931
18 1 3 "Average Difference" HN 6 0.357 -0.192 0.330 18931
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18931
20 1 4 "Average Difference" HA 7 0.236 -0.028 0.253 18931
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18931
22 1 4 "Average Difference" CA 6 1.567 0.806 1.472 18931
23 1 4 "Average Difference" CB 5 11.466 -7.435 9.759 18931
24 1 4 "Average Difference" HN 6 0.401 -0.150 0.408 18931
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18931
26 1 5 "Average Difference" HA 7 0.317 -0.140 0.307 18931
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18931
28 1 5 "Average Difference" CA 6 1.640 0.381 1.748 18931
29 1 5 "Average Difference" CB 5 13.157 -7.910 11.754 18931
30 1 5 "Average Difference" HN 6 0.330 -0.157 0.318 18931
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18931
32 1 6 "Average Difference" HA 7 0.295 -0.137 0.283 18931
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18931
34 1 6 "Average Difference" CA 6 1.564 0.598 1.584 18931
35 1 6 "Average Difference" CB 5 12.876 -8.136 11.159 18931
36 1 6 "Average Difference" HN 6 0.325 -0.185 0.293 18931
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18931
38 1 7 "Average Difference" HA 7 0.318 -0.151 0.302 18931
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18931
40 1 7 "Average Difference" CA 6 1.685 0.465 1.774 18931
41 1 7 "Average Difference" CB 5 12.869 -8.654 10.648 18931
42 1 7 "Average Difference" HN 6 0.291 -0.135 0.282 18931
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18931
44 1 8 "Average Difference" HA 7 0.276 -0.106 0.275 18931
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18931
46 1 8 "Average Difference" CA 6 1.484 0.683 1.444 18931
47 1 8 "Average Difference" CB 5 12.587 -7.759 11.081 18931
48 1 8 "Average Difference" HN 6 0.320 -0.177 0.292 18931
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18931
50 1 9 "Average Difference" HA 7 0.288 -0.119 0.283 18931
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18931
52 1 9 "Average Difference" CA 6 1.492 0.489 1.544 18931
53 1 9 "Average Difference" CB 5 13.175 -8.141 11.582 18931
54 1 9 "Average Difference" HN 6 0.387 -0.204 0.360 18931
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18931
56 1 10 "Average Difference" HA 7 0.233 -0.015 0.251 18931
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18931
58 1 10 "Average Difference" CA 6 1.293 0.392 1.349 18931
59 1 10 "Average Difference" CB 5 12.681 -7.802 11.177 18931
60 1 10 "Average Difference" HN 6 0.300 -0.140 0.291 18931
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18931
62 1 11 "Average Difference" HA 7 0.239 -0.005 0.258 18931
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18931
64 1 11 "Average Difference" CA 6 1.495 0.645 1.477 18931
65 1 11 "Average Difference" CB 5 11.941 -7.093 10.741 18931
66 1 11 "Average Difference" HN 6 0.365 -0.133 0.372 18931
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18931
68 1 12 "Average Difference" HA 7 0.306 -0.081 0.319 18931
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18931
70 1 12 "Average Difference" CA 6 1.801 0.105 1.969 18931
71 1 12 "Average Difference" CB 5 13.172 -7.699 11.949 18931
72 1 12 "Average Difference" HN 6 0.396 -0.239 0.346 18931
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18931
74 1 13 "Average Difference" HA 7 0.269 0.059 0.283 18931
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18931
76 1 13 "Average Difference" CA 6 1.610 0.301 1.733 18931
77 1 13 "Average Difference" CB 5 12.181 -7.280 10.919 18931
78 1 13 "Average Difference" HN 6 0.340 -0.119 0.350 18931
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18931
80 1 14 "Average Difference" HA 7 0.213 -0.024 0.229 18931
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18931
82 1 14 "Average Difference" CA 6 1.382 0.601 1.363 18931
83 1 14 "Average Difference" CB 5 11.910 -7.510 10.335 18931
84 1 14 "Average Difference" HN 6 0.277 -0.137 0.264 18931
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18931
86 1 15 "Average Difference" HA 7 0.247 0.012 0.266 18931
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18931
88 1 15 "Average Difference" CA 6 1.577 0.625 1.586 18931
89 1 15 "Average Difference" CB 5 11.019 -7.005 9.510 18931
90 1 15 "Average Difference" HN 6 0.334 -0.114 0.344 18931
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18931
92 1 16 "Average Difference" HA 7 0.253 -0.037 0.271 18931
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18931
94 1 16 "Average Difference" CA 6 1.514 0.414 1.595 18931
95 1 16 "Average Difference" CB 5 11.992 -6.792 11.049 18931
96 1 16 "Average Difference" HN 6 0.442 -0.162 0.451 18931
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18931
98 1 17 "Average Difference" HA 7 0.216 -0.001 0.233 18931
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18931
100 1 17 "Average Difference" CA 6 1.493 0.746 1.416 18931
101 1 17 "Average Difference" CB 5 12.378 -7.417 11.079 18931
102 1 17 "Average Difference" HN 6 0.236 -0.132 0.215 18931
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18931
104 1 18 "Average Difference" HA 7 0.231 0.042 0.245 18931
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18931
106 1 18 "Average Difference" CA 6 1.352 0.397 1.416 18931
107 1 18 "Average Difference" CB 5 11.957 -7.016 10.825 18931
108 1 18 "Average Difference" HN 6 0.297 -0.160 0.274 18931
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18931
110 1 19 "Average Difference" HA 7 0.279 0.068 0.292 18931
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18931
112 1 19 "Average Difference" CA 6 1.321 0.473 1.352 18931
113 1 19 "Average Difference" CB 5 10.889 -6.657 9.634 18931
114 1 19 "Average Difference" HN 6 0.354 -0.110 0.369 18931
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18931
116 1 20 "Average Difference" HA 7 0.382 -0.154 0.378 18931
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18931
118 1 20 "Average Difference" CA 6 2.134 0.549 2.259 18931
119 1 20 "Average Difference" CB 5 13.454 -8.950 11.231 18931
120 1 20 "Average Difference" HN 6 0.188 -0.125 0.154 18931
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 18931
_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 VAL HA H 2 4.263 4.263 4.378 -0.115 18931
2 1 . 1 1 2 2 VAL CA C 2 61.845 61.845 61.333 0.512 18931
3 1 . 1 1 2 2 VAL CB C 2 33.231 33.231 33.033 0.198 18931
4 1 . 1 1 2 2 VAL H H 2 7.806 7.806 7.710 0.096 18931
5 1 . 1 1 3 3 CYS HA H 3 5.456 5.456 5.321 0.135 18931
6 1 . 1 1 3 3 CYS CA C 3 55.303 55.303 58.038 -2.735 18931
7 1 . 1 1 3 3 CYS CB C 3 46.230 46.230 27.320 18.910 18931
8 1 . 1 1 3 3 CYS H H 3 9.056 9.056 8.873 0.183 18931
9 1 . 1 1 9 9 ARG HA H 9 3.935 3.935 4.075 -0.140 18931
10 1 . 1 1 9 9 ARG CA C 9 56.923 56.923 56.757 0.166 18931
11 1 . 1 1 9 9 ARG CB C 9 28.289 28.289 28.988 -0.699 18931
12 1 . 1 1 9 9 ARG H H 9 9.481 9.481 8.964 0.517 18931
13 1 . 1 1 10 10 GLY CA C 10 45.275 45.275 44.773 0.502 18931
14 1 . 1 1 10 10 GLY H H 10 8.452 8.452 8.345 0.107 18931
15 1 . 1 1 16 16 CYS HA H 16 5.561 5.561 5.414 0.148 18931
16 1 . 1 1 16 16 CYS CA C 16 55.195 55.195 57.471 -2.276 18931
17 1 . 1 1 16 16 CYS CB C 16 47.716 47.716 27.546 20.170 18931
18 1 . 1 1 16 16 CYS H H 16 9.063 9.063 8.687 0.376 18931
19 1 . 1 1 17 17 ARG HA H 17 4.494 4.494 4.653 -0.159 18931
20 1 . 1 1 17 17 ARG CA C 17 55.611 55.611 54.987 0.624 18931
21 1 . 1 1 17 17 ARG CB C 17 32.734 32.734 33.000 -0.266 18931
22 1 . 1 1 17 17 ARG H H 17 8.687 8.687 9.059 -0.372 18931
stop_
save_