data_18914
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18914
_Entry.PDB_ID 2M2H
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 18914
_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 5 5 CYS HA H 5 5.506 5.506 5.406 0.100 18914
2 1 1 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.434 -1.960 18914
3 1 1 . 1 1 5 5 CYS CB C 5 46.967 46.967 26.958 20.009 18914
4 1 1 . 1 1 5 5 CYS H H 5 9.053 9.053 8.725 0.328 18914
5 1 1 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.022 -0.094 18914
6 1 1 . 1 1 9 9 ARG CA C 9 56.907 56.907 57.018 -0.111 18914
7 1 1 . 1 1 9 9 ARG CB C 9 28.198 28.198 29.051 -0.853 18914
8 1 1 . 1 1 9 9 ARG H H 9 9.525 9.525 8.899 0.626 18914
9 1 1 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.763 0.508 18914
10 1 1 . 1 1 10 10 GLY H H 10 8.487 8.487 8.298 0.189 18914
11 1 1 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.448 0.058 18914
12 1 1 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.587 -2.114 18914
13 1 1 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.071 19.896 18914
14 1 1 . 1 1 14 14 CYS H H 14 9.053 9.053 8.789 0.264 18914
15 1 2 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.474 0.032 18914
16 1 2 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.243 -1.770 18914
17 1 2 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.417 19.550 18914
18 1 2 . 1 1 5 5 CYS H H 5 9.053 9.053 8.753 0.300 18914
19 1 2 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.056 -0.128 18914
20 1 2 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.542 0.365 18914
21 1 2 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.361 -0.163 18914
22 1 2 . 1 1 9 9 ARG H H 9 9.525 9.525 9.172 0.353 18914
23 1 2 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.971 0.300 18914
24 1 2 . 1 1 10 10 GLY H H 10 8.487 8.487 8.278 0.209 18914
25 1 2 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.531 -0.025 18914
26 1 2 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.290 -1.817 18914
27 1 2 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.615 19.352 18914
28 1 2 . 1 1 14 14 CYS H H 14 9.053 9.053 8.701 0.352 18914
29 1 3 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.079 0.427 18914
30 1 3 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.634 -2.161 18914
31 1 3 . 1 1 5 5 CYS CB C 5 46.967 46.967 26.779 20.188 18914
32 1 3 . 1 1 5 5 CYS H H 5 9.053 9.053 8.796 0.257 18914
33 1 3 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.029 -0.102 18914
34 1 3 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.970 -0.063 18914
35 1 3 . 1 1 9 9 ARG CB C 9 28.198 28.198 29.052 -0.854 18914
36 1 3 . 1 1 9 9 ARG H H 9 9.525 9.525 8.992 0.533 18914
37 1 3 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.942 0.329 18914
38 1 3 . 1 1 10 10 GLY H H 10 8.487 8.487 8.434 0.053 18914
39 1 3 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.409 0.097 18914
40 1 3 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.292 -1.819 18914
41 1 3 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.563 19.404 18914
42 1 3 . 1 1 14 14 CYS H H 14 9.053 9.053 8.732 0.321 18914
43 1 4 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.563 -0.057 18914
44 1 4 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.486 -2.013 18914
45 1 4 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.699 19.268 18914
46 1 4 . 1 1 5 5 CYS H H 5 9.053 9.053 8.764 0.289 18914
47 1 4 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.023 -0.095 18914
48 1 4 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.958 -0.051 18914
49 1 4 . 1 1 9 9 ARG CB C 9 28.198 28.198 29.064 -0.867 18914
50 1 4 . 1 1 9 9 ARG H H 9 9.525 9.525 8.979 0.546 18914
51 1 4 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.833 0.438 18914
52 1 4 . 1 1 10 10 GLY H H 10 8.487 8.487 8.468 0.019 18914
53 1 4 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.410 0.096 18914
54 1 4 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.556 -2.083 18914
55 1 4 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.388 19.579 18914
56 1 4 . 1 1 14 14 CYS H H 14 9.053 9.053 8.694 0.359 18914
57 1 5 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.523 -0.017 18914
58 1 5 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.157 -1.684 18914
59 1 5 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.119 19.848 18914
60 1 5 . 1 1 5 5 CYS H H 5 9.053 9.053 8.725 0.329 18914
61 1 5 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.054 -0.126 18914
62 1 5 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.663 0.244 18914
63 1 5 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.618 -0.420 18914
64 1 5 . 1 1 9 9 ARG H H 9 9.525 9.525 8.974 0.551 18914
65 1 5 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.841 0.430 18914
66 1 5 . 1 1 10 10 GLY H H 10 8.487 8.487 8.389 0.098 18914
67 1 5 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.117 0.389 18914
68 1 5 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.617 -2.144 18914
69 1 5 . 1 1 14 14 CYS CB C 14 46.967 46.967 26.837 20.130 18914
70 1 5 . 1 1 14 14 CYS H H 14 9.053 9.053 8.758 0.295 18914
71 1 6 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.547 -0.041 18914
72 1 6 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.565 -2.092 18914
73 1 6 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.580 19.387 18914
74 1 6 . 1 1 5 5 CYS H H 5 9.053 9.053 8.785 0.268 18914
75 1 6 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.059 -0.131 18914
76 1 6 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.910 -0.002 18914
77 1 6 . 1 1 9 9 ARG CB C 9 28.198 28.198 29.076 -0.878 18914
78 1 6 . 1 1 9 9 ARG H H 9 9.525 9.525 9.097 0.428 18914
79 1 6 . 1 1 10 10 GLY CA C 10 45.271 45.271 45.118 0.153 18914
80 1 6 . 1 1 10 10 GLY H H 10 8.487 8.487 8.346 0.141 18914
81 1 6 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.613 -0.107 18914
82 1 6 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.436 -1.963 18914
83 1 6 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.614 19.352 18914
84 1 6 . 1 1 14 14 CYS H H 14 9.053 9.053 8.726 0.327 18914
85 1 7 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.298 0.208 18914
86 1 7 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.471 -1.998 18914
87 1 7 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.415 19.552 18914
88 1 7 . 1 1 5 5 CYS H H 5 9.053 9.053 8.750 0.303 18914
89 1 7 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.031 -0.103 18914
90 1 7 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.991 -0.084 18914
91 1 7 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.842 -0.644 18914
92 1 7 . 1 1 9 9 ARG H H 9 9.525 9.525 9.167 0.358 18914
93 1 7 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.697 0.574 18914
94 1 7 . 1 1 10 10 GLY H H 10 8.487 8.487 8.262 0.225 18914
95 1 7 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.526 -0.020 18914
96 1 7 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.219 -1.746 18914
97 1 7 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.901 19.066 18914
98 1 7 . 1 1 14 14 CYS H H 14 9.053 9.053 8.716 0.337 18914
99 1 8 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.567 -0.061 18914
100 1 8 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.352 -1.879 18914
101 1 8 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.632 19.335 18914
102 1 8 . 1 1 5 5 CYS H H 5 9.053 9.053 8.671 0.382 18914
103 1 8 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.043 -0.115 18914
104 1 8 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.922 -0.015 18914
105 1 8 . 1 1 9 9 ARG CB C 9 28.198 28.198 29.073 -0.875 18914
106 1 8 . 1 1 9 9 ARG H H 9 9.525 9.525 8.990 0.535 18914
107 1 8 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.953 0.318 18914
108 1 8 . 1 1 10 10 GLY H H 10 8.487 8.487 8.397 0.090 18914
109 1 8 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.448 0.058 18914
110 1 8 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.485 -2.012 18914
111 1 8 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.332 19.635 18914
112 1 8 . 1 1 14 14 CYS H H 14 9.053 9.053 8.789 0.264 18914
113 1 9 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.362 0.144 18914
114 1 9 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.438 -1.965 18914
115 1 9 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.233 19.734 18914
116 1 9 . 1 1 5 5 CYS H H 5 9.053 9.053 8.744 0.309 18914
117 1 9 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.058 -0.130 18914
118 1 9 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.745 0.162 18914
119 1 9 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.567 -0.369 18914
120 1 9 . 1 1 9 9 ARG H H 9 9.525 9.525 8.992 0.533 18914
121 1 9 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.674 0.597 18914
122 1 9 . 1 1 10 10 GLY H H 10 8.487 8.487 8.219 0.268 18914
123 1 9 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.243 0.263 18914
124 1 9 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.492 -2.019 18914
125 1 9 . 1 1 14 14 CYS CB C 14 46.967 46.967 26.886 20.081 18914
126 1 9 . 1 1 14 14 CYS H H 14 9.053 9.053 8.756 0.297 18914
127 1 10 . 1 1 5 5 CYS HA H 5 5.506 5.506 4.935 0.571 18914
128 1 10 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.934 -2.461 18914
129 1 10 . 1 1 5 5 CYS CB C 5 46.967 46.967 26.418 20.549 18914
130 1 10 . 1 1 5 5 CYS H H 5 9.053 9.053 8.715 0.338 18914
131 1 10 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.084 -0.156 18914
132 1 10 . 1 1 9 9 ARG CA C 9 56.907 56.907 57.075 -0.168 18914
133 1 10 . 1 1 9 9 ARG CB C 9 28.198 28.198 29.068 -0.870 18914
134 1 10 . 1 1 9 9 ARG H H 9 9.525 9.525 9.165 0.360 18914
135 1 10 . 1 1 10 10 GLY CA C 10 45.271 45.271 45.003 0.268 18914
136 1 10 . 1 1 10 10 GLY H H 10 8.487 8.487 8.377 0.110 18914
137 1 10 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.238 0.268 18914
138 1 10 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.855 -2.381 18914
139 1 10 . 1 1 14 14 CYS CB C 14 46.967 46.967 26.721 20.245 18914
140 1 10 . 1 1 14 14 CYS H H 14 9.053 9.053 8.467 0.586 18914
141 1 11 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.318 0.188 18914
142 1 11 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.422 -1.948 18914
143 1 11 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.335 19.631 18914
144 1 11 . 1 1 5 5 CYS H H 5 9.053 9.053 8.768 0.285 18914
145 1 11 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.029 -0.101 18914
146 1 11 . 1 1 9 9 ARG CA C 9 56.907 56.907 57.012 -0.105 18914
147 1 11 . 1 1 9 9 ARG CB C 9 28.198 28.198 29.097 -0.899 18914
148 1 11 . 1 1 9 9 ARG H H 9 9.525 9.525 9.058 0.467 18914
149 1 11 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.732 0.539 18914
150 1 11 . 1 1 10 10 GLY H H 10 8.487 8.487 8.427 0.060 18914
151 1 11 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.513 -0.007 18914
152 1 11 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.391 -1.918 18914
153 1 11 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.654 19.313 18914
154 1 11 . 1 1 14 14 CYS H H 14 9.053 9.053 8.755 0.298 18914
155 1 12 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.264 0.242 18914
156 1 12 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.396 -1.923 18914
157 1 12 . 1 1 5 5 CYS CB C 5 46.967 46.967 26.987 19.980 18914
158 1 12 . 1 1 5 5 CYS H H 5 9.053 9.053 8.640 0.413 18914
159 1 12 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.067 -0.139 18914
160 1 12 . 1 1 9 9 ARG CA C 9 56.907 56.907 57.084 -0.177 18914
161 1 12 . 1 1 9 9 ARG CB C 9 28.198 28.198 29.062 -0.864 18914
162 1 12 . 1 1 9 9 ARG H H 9 9.525 9.525 9.153 0.372 18914
163 1 12 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.848 0.423 18914
164 1 12 . 1 1 10 10 GLY H H 10 8.487 8.487 8.403 0.084 18914
165 1 12 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.412 0.094 18914
166 1 12 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.741 -2.268 18914
167 1 12 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.312 19.655 18914
168 1 12 . 1 1 14 14 CYS H H 14 9.053 9.053 8.648 0.405 18914
169 1 13 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.689 -0.183 18914
170 1 13 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.361 -1.888 18914
171 1 13 . 1 1 5 5 CYS CB C 5 46.967 46.967 28.072 18.895 18914
172 1 13 . 1 1 5 5 CYS H H 5 9.053 9.053 8.736 0.317 18914
173 1 13 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.080 -0.152 18914
174 1 13 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.550 0.357 18914
175 1 13 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.677 -0.479 18914
176 1 13 . 1 1 9 9 ARG H H 9 9.525 9.525 9.124 0.401 18914
177 1 13 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.946 0.325 18914
178 1 13 . 1 1 10 10 GLY H H 10 8.487 8.487 8.347 0.140 18914
179 1 13 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.263 0.243 18914
180 1 13 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.841 -2.368 18914
181 1 13 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.492 19.475 18914
182 1 13 . 1 1 14 14 CYS H H 14 9.053 9.053 8.771 0.282 18914
183 1 14 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.557 -0.051 18914
184 1 14 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.586 -2.113 18914
185 1 14 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.506 19.461 18914
186 1 14 . 1 1 5 5 CYS H H 5 9.053 9.053 8.634 0.419 18914
187 1 14 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.055 -0.127 18914
188 1 14 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.577 0.330 18914
189 1 14 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.588 -0.390 18914
190 1 14 . 1 1 9 9 ARG H H 9 9.525 9.525 8.993 0.532 18914
191 1 14 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.870 0.401 18914
192 1 14 . 1 1 10 10 GLY H H 10 8.487 8.487 8.288 0.199 18914
193 1 14 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.358 0.148 18914
194 1 14 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.255 -1.782 18914
195 1 14 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.642 19.326 18914
196 1 14 . 1 1 14 14 CYS H H 14 9.053 9.053 8.735 0.318 18914
197 1 15 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.592 -0.086 18914
198 1 15 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.547 -2.074 18914
199 1 15 . 1 1 5 5 CYS CB C 5 46.967 46.967 28.305 18.662 18914
200 1 15 . 1 1 5 5 CYS H H 5 9.053 9.053 8.661 0.392 18914
201 1 15 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.107 -0.179 18914
202 1 15 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.729 0.178 18914
203 1 15 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.641 -0.443 18914
204 1 15 . 1 1 9 9 ARG H H 9 9.525 9.525 9.178 0.347 18914
205 1 15 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.907 0.364 18914
206 1 15 . 1 1 10 10 GLY H H 10 8.487 8.487 8.421 0.066 18914
207 1 15 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.754 -0.248 18914
208 1 15 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.552 -2.079 18914
209 1 15 . 1 1 14 14 CYS CB C 14 46.967 46.967 28.940 18.027 18914
210 1 15 . 1 1 14 14 CYS H H 14 9.053 9.053 8.708 0.345 18914
211 1 16 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.274 0.232 18914
212 1 16 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.384 -1.911 18914
213 1 16 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.494 19.473 18914
214 1 16 . 1 1 5 5 CYS H H 5 9.053 9.053 8.657 0.396 18914
215 1 16 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.072 -0.144 18914
216 1 16 . 1 1 9 9 ARG CA C 9 56.907 56.907 57.018 -0.111 18914
217 1 16 . 1 1 9 9 ARG CB C 9 28.198 28.198 29.013 -0.815 18914
218 1 16 . 1 1 9 9 ARG H H 9 9.525 9.525 9.180 0.345 18914
219 1 16 . 1 1 10 10 GLY CA C 10 45.271 45.271 45.064 0.207 18914
220 1 16 . 1 1 10 10 GLY H H 10 8.487 8.487 8.405 0.083 18914
221 1 16 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.470 0.036 18914
222 1 16 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.557 -2.084 18914
223 1 16 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.277 19.690 18914
224 1 16 . 1 1 14 14 CYS H H 14 9.053 9.053 8.752 0.301 18914
225 1 17 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.502 0.004 18914
226 1 17 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.880 -2.407 18914
227 1 17 . 1 1 5 5 CYS CB C 5 46.967 46.967 28.895 18.072 18914
228 1 17 . 1 1 5 5 CYS H H 5 9.053 9.053 8.624 0.429 18914
229 1 17 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.064 -0.136 18914
230 1 17 . 1 1 9 9 ARG CA C 9 56.907 56.907 57.056 -0.149 18914
231 1 17 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.999 -0.801 18914
232 1 17 . 1 1 9 9 ARG H H 9 9.525 9.525 9.138 0.387 18914
233 1 17 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.852 0.419 18914
234 1 17 . 1 1 10 10 GLY H H 10 8.487 8.487 8.419 0.068 18914
235 1 17 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.602 -0.096 18914
236 1 17 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.703 -2.231 18914
237 1 17 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.624 19.343 18914
238 1 17 . 1 1 14 14 CYS H H 14 9.053 9.053 8.684 0.369 18914
239 1 18 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.026 0.480 18914
240 1 18 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.705 -2.232 18914
241 1 18 . 1 1 5 5 CYS CB C 5 46.967 46.967 26.839 20.128 18914
242 1 18 . 1 1 5 5 CYS H H 5 9.053 9.053 8.750 0.303 18914
243 1 18 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.032 -0.104 18914
244 1 18 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.974 -0.067 18914
245 1 18 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.869 -0.671 18914
246 1 18 . 1 1 9 9 ARG H H 9 9.525 9.525 9.205 0.320 18914
247 1 18 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.795 0.476 18914
248 1 18 . 1 1 10 10 GLY H H 10 8.487 8.487 8.312 0.175 18914
249 1 18 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.378 0.128 18914
250 1 18 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.418 -1.945 18914
251 1 18 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.228 19.739 18914
252 1 18 . 1 1 14 14 CYS H H 14 9.053 9.053 8.819 0.234 18914
253 1 19 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.676 -0.170 18914
254 1 19 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.447 -1.974 18914
255 1 19 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.564 19.403 18914
256 1 19 . 1 1 5 5 CYS H H 5 9.053 9.053 8.756 0.297 18914
257 1 19 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.089 -0.161 18914
258 1 19 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.651 0.256 18914
259 1 19 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.585 -0.387 18914
260 1 19 . 1 1 9 9 ARG H H 9 9.525 9.525 9.111 0.414 18914
261 1 19 . 1 1 10 10 GLY CA C 10 45.271 45.271 45.068 0.203 18914
262 1 19 . 1 1 10 10 GLY H H 10 8.487 8.487 8.475 0.012 18914
263 1 19 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.485 0.021 18914
264 1 19 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.819 -2.345 18914
265 1 19 . 1 1 14 14 CYS CB C 14 46.967 46.967 28.147 18.820 18914
266 1 19 . 1 1 14 14 CYS H H 14 9.053 9.053 8.673 0.380 18914
267 1 20 . 1 1 5 5 CYS HA H 5 5.506 5.506 5.612 -0.106 18914
268 1 20 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.658 -2.185 18914
269 1 20 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.884 19.083 18914
270 1 20 . 1 1 5 5 CYS H H 5 9.053 9.053 8.757 0.296 18914
271 1 20 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.076 -0.148 18914
272 1 20 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.702 0.205 18914
273 1 20 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.642 -0.444 18914
274 1 20 . 1 1 9 9 ARG H H 9 9.525 9.525 9.014 0.511 18914
275 1 20 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.695 0.576 18914
276 1 20 . 1 1 10 10 GLY H H 10 8.487 8.487 8.345 0.142 18914
277 1 20 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.620 -0.114 18914
278 1 20 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.626 -2.153 18914
279 1 20 . 1 1 14 14 CYS CB C 14 46.967 46.967 28.233 18.734 18914
280 1 20 . 1 1 14 14 CYS H H 14 9.053 9.053 8.673 0.380 18914
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 18914
2 1 1 "Average Difference" HA 5 0.258 -0.117 0.258 18914
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18914
4 1 1 "Average Difference" CA 4 1.465 0.919 1.317 18914
5 1 1 "Average Difference" CB 3 16.299 -13.017 12.012 18914
6 1 1 "Average Difference" HN 4 0.389 -0.352 0.192 18914
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18914
8 1 2 "Average Difference" HA 5 0.270 -0.092 0.284 18914
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18914
10 1 2 "Average Difference" CA 4 1.290 0.730 1.228 18914
11 1 2 "Average Difference" CB 3 15.882 -12.913 11.325 18914
12 1 2 "Average Difference" HN 4 0.309 -0.304 0.067 18914
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18914
14 1 3 "Average Difference" HA 5 0.320 -0.187 0.290 18914
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18914
16 1 3 "Average Difference" CA 4 1.422 0.928 1.244 18914
17 1 3 "Average Difference" CB 3 16.174 -12.913 11.929 18914
18 1 3 "Average Difference" HN 4 0.338 -0.291 0.198 18914
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18914
20 1 4 "Average Difference" HA 5 0.260 -0.095 0.271 18914
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18914
22 1 4 "Average Difference" CA 4 1.465 0.927 1.310 18914
23 1 4 "Average Difference" CB 3 15.868 -12.660 11.716 18914
24 1 4 "Average Difference" HN 4 0.357 -0.303 0.218 18914
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18914
26 1 5 "Average Difference" HA 5 0.315 -0.159 0.304 18914
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18914
28 1 5 "Average Difference" CA 4 1.385 0.789 1.315 18914
29 1 5 "Average Difference" CB 3 16.323 -13.186 11.784 18914
30 1 5 "Average Difference" HN 4 0.357 -0.318 0.185 18914
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18914
32 1 6 "Average Difference" HA 5 0.254 -0.041 0.281 18914
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18914
34 1 6 "Average Difference" CA 4 1.436 0.976 1.217 18914
35 1 6 "Average Difference" CB 3 15.823 -12.620 11.690 18914
36 1 6 "Average Difference" HN 4 0.309 -0.291 0.120 18914
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18914
38 1 7 "Average Difference" HA 5 0.266 -0.116 0.268 18914
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18914
40 1 7 "Average Difference" CA 4 1.358 0.813 1.256 18914
41 1 7 "Average Difference" CB 3 15.771 -12.658 11.523 18914
42 1 7 "Average Difference" HN 4 0.310 -0.306 0.058 18914
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18914
44 1 8 "Average Difference" HA 5 0.252 -0.074 0.269 18914
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18914
46 1 8 "Average Difference" CA 4 1.386 0.897 1.220 18914
47 1 8 "Average Difference" CB 3 15.918 -12.698 11.756 18914
48 1 8 "Average Difference" HN 4 0.357 -0.318 0.188 18914
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18914
50 1 9 "Average Difference" HA 5 0.292 -0.162 0.271 18914
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18914
52 1 9 "Average Difference" CA 4 1.442 0.806 1.381 18914
53 1 9 "Average Difference" CB 3 16.257 -13.149 11.708 18914
54 1 9 "Average Difference" HN 4 0.367 -0.352 0.122 18914
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18914
56 1 10 "Average Difference" HA 5 0.377 -0.231 0.333 18914
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18914
58 1 10 "Average Difference" CA 4 1.720 1.186 1.438 18914
59 1 10 "Average Difference" CB 3 16.662 -13.308 12.279 18914
60 1 10 "Average Difference" HN 4 0.387 -0.348 0.194 18914
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18914
62 1 11 "Average Difference" HA 5 0.267 -0.119 0.267 18914
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18914
64 1 11 "Average Difference" CA 4 1.394 0.858 1.269 18914
65 1 11 "Average Difference" CB 3 15.908 -12.682 11.762 18914
66 1 11 "Average Difference" HN 4 0.313 -0.278 0.167 18914
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18914
68 1 12 "Average Difference" HA 5 0.279 -0.140 0.270 18914
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18914
70 1 12 "Average Difference" CA 4 1.504 0.986 1.311 18914
71 1 12 "Average Difference" CB 3 16.189 -12.924 11.941 18914
72 1 12 "Average Difference" HN 4 0.347 -0.319 0.158 18914
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18914
74 1 13 "Average Difference" HA 5 0.297 -0.090 0.316 18914
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18914
76 1 13 "Average Difference" CA 4 1.533 0.894 1.439 18914
77 1 13 "Average Difference" CB 3 15.669 -12.630 11.357 18914
78 1 13 "Average Difference" HN 4 0.300 -0.285 0.109 18914
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18914
80 1 14 "Average Difference" HA 5 0.278 -0.110 0.285 18914
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18914
82 1 14 "Average Difference" CA 4 1.406 0.791 1.343 18914
83 1 14 "Average Difference" CB 3 15.836 -12.799 11.422 18914
84 1 14 "Average Difference" HN 4 0.387 -0.367 0.142 18914
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18914
86 1 15 "Average Difference" HA 5 0.285 0.002 0.318 18914
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18914
88 1 15 "Average Difference" CA 4 1.482 0.903 1.357 18914
89 1 15 "Average Difference" CB 3 14.983 -12.082 10.851 18914
90 1 15 "Average Difference" HN 4 0.315 -0.288 0.149 18914
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18914
92 1 16 "Average Difference" HA 5 0.270 -0.119 0.271 18914
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18914
94 1 16 "Average Difference" CA 4 1.419 0.975 1.190 18914
95 1 16 "Average Difference" CB 3 15.995 -12.783 11.776 18914
96 1 16 "Average Difference" HN 4 0.306 -0.281 0.138 18914
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18914
98 1 17 "Average Difference" HA 5 0.254 -0.051 0.278 18914
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18914
100 1 17 "Average Difference" CA 4 1.656 1.092 1.437 18914
101 1 17 "Average Difference" CB 3 15.290 -12.205 11.281 18914
102 1 17 "Average Difference" HN 4 0.345 -0.313 0.165 18914
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18914
104 1 18 "Average Difference" HA 5 0.335 -0.201 0.299 18914
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18914
106 1 18 "Average Difference" CA 4 1.500 0.942 1.347 18914
107 1 18 "Average Difference" CB 3 16.281 -13.065 11.897 18914
108 1 18 "Average Difference" HN 4 0.265 -0.258 0.067 18914
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18914
110 1 19 "Average Difference" HA 5 0.270 -0.041 0.299 18914
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18914
112 1 19 "Average Difference" CA 4 1.541 0.965 1.388 18914
113 1 19 "Average Difference" CB 3 15.608 -12.612 11.261 18914
114 1 19 "Average Difference" HN 4 0.318 -0.276 0.182 18914
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18914
116 1 20 "Average Difference" HA 5 0.269 -0.031 0.298 18914
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18914
118 1 20 "Average Difference" CA 4 1.564 0.889 1.485 18914
119 1 20 "Average Difference" CB 3 15.442 -12.458 11.175 18914
120 1 20 "Average Difference" HN 4 0.358 -0.332 0.154 18914
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 18914
_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 5 5 CYS HA H 5 5.506 5.506 5.413 0.093 18914
2 1 . 1 1 5 5 CYS CA C 5 55.473 55.473 57.505 -2.032 18914
3 1 . 1 1 5 5 CYS CB C 5 46.967 46.967 27.457 19.510 18914
4 1 . 1 1 5 5 CYS H H 5 9.053 9.053 8.721 0.333 18914
5 1 . 1 1 9 9 ARG HA H 9 3.928 3.928 4.056 -0.129 18914
6 1 . 1 1 9 9 ARG CA C 9 56.907 56.907 56.857 0.050 18914
7 1 . 1 1 9 9 ARG CB C 9 28.198 28.198 28.847 -0.649 18914
8 1 . 1 1 9 9 ARG H H 9 9.525 9.525 9.079 0.446 18914
9 1 . 1 1 10 10 GLY CA C 10 45.271 45.271 44.879 0.392 18914
10 1 . 1 1 10 10 GLY H H 10 8.487 8.487 8.366 0.122 18914
11 1 . 1 1 14 14 CYS HA H 14 5.506 5.506 5.442 0.064 18914
12 1 . 1 1 14 14 CYS CA C 14 55.473 55.473 57.537 -2.064 18914
13 1 . 1 1 14 14 CYS CB C 14 46.967 46.967 27.524 19.443 18914
14 1 . 1 1 14 14 CYS H H 14 9.053 9.053 8.717 0.336 18914
stop_
save_