data_18879
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18879
_Entry.PDB_ID 2M1T
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 18879
_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 60 60 THR N N 60 115.100 115.100 110.853 4.247 18879
2 1 1 . 1 1 60 60 THR HA H 60 4.510 4.510 4.661 -0.151 18879
3 1 1 . 1 1 61 61 LEU N N 61 124.100 124.100 119.547 4.553 18879
4 1 1 . 1 1 61 61 LEU HA H 61 4.156 4.156 3.960 0.196 18879
5 1 1 . 1 1 62 62 LEU N N 62 117.900 117.900 113.511 4.389 18879
6 1 1 . 1 1 62 62 LEU HA H 62 4.020 4.020 4.580 -0.560 18879
7 1 1 . 1 1 63 63 GLY N N 63 104.700 104.700 107.532 -2.832 18879
8 1 1 . 1 1 64 64 ARG N N 64 117.200 117.200 119.193 -1.993 18879
9 1 1 . 1 1 64 64 ARG HA H 64 4.400 4.400 4.721 -0.321 18879
10 1 1 . 1 1 65 65 ILE N N 65 116.500 116.500 117.420 -0.920 18879
11 1 1 . 1 1 65 65 ILE HA H 65 4.092 4.092 4.468 -0.376 18879
12 1 1 . 1 1 66 66 LEU N N 66 119.700 119.700 119.005 0.695 18879
13 1 1 . 1 1 66 66 LEU HA H 66 4.245 4.245 4.706 -0.461 18879
14 1 1 . 1 1 68 68 GLN N N 68 114.400 114.400 117.124 -2.724 18879
15 1 1 . 1 1 68 68 GLN HA H 68 4.055 4.055 4.153 -0.098 18879
16 1 1 . 1 1 69 69 LEU N N 69 119.100 119.100 119.918 -0.818 18879
17 1 1 . 1 1 69 69 LEU HA H 69 4.070 4.070 4.035 0.035 18879
18 1 1 . 1 1 70 70 VAL N N 70 117.200 117.200 113.437 3.763 18879
19 1 1 . 1 1 70 70 VAL HA H 70 3.535 3.535 4.148 -0.613 18879
20 1 1 . 1 1 71 71 CYS N N 71 116.800 116.800 119.789 -2.989 18879
21 1 1 . 1 1 71 71 CYS HA H 71 4.660 4.660 4.642 0.018 18879
22 1 1 . 1 1 72 72 ARG N N 72 117.200 117.200 119.092 -1.892 18879
23 1 1 . 1 1 72 72 ARG HA H 72 4.370 4.370 4.510 -0.140 18879
24 1 1 . 1 1 73 73 LEU N N 73 115.300 115.300 119.346 -4.046 18879
25 1 1 . 1 1 73 73 LEU HA H 73 4.445 4.445 4.377 0.068 18879
26 1 1 . 1 1 74 74 VAL N N 74 112.200 112.200 118.355 -6.155 18879
27 1 1 . 1 1 74 74 VAL HA H 74 4.350 4.350 3.965 0.385 18879
28 1 1 . 1 1 75 75 LEU N N 75 115.300 115.300 120.501 -5.201 18879
29 1 1 . 1 1 75 75 LEU HA H 75 4.445 4.445 4.062 0.383 18879
30 1 1 . 1 1 76 76 ARG N N 76 118.200 118.200 119.261 -1.061 18879
31 1 1 . 1 1 76 76 ARG HA H 76 4.475 4.475 4.008 0.467 18879
32 1 1 . 1 1 77 77 CYS N N 77 120.600 120.600 116.785 3.815 18879
33 1 1 . 1 1 77 77 CYS HA H 77 4.560 4.560 4.246 0.314 18879
34 1 1 . 1 1 78 78 SER N N 78 116.300 116.300 117.092 -0.792 18879
35 1 1 . 1 1 78 78 SER HA H 78 4.455 4.455 4.464 -0.009 18879
36 1 1 . 1 1 79 79 ILE N N 79 121.000 121.000 115.142 5.858 18879
37 1 1 . 1 1 79 79 ILE HA H 79 4.170 4.170 3.612 0.558 18879
38 1 2 . 1 1 60 60 THR N N 60 115.100 115.100 111.973 3.127 18879
39 1 2 . 1 1 60 60 THR HA H 60 4.510 4.510 4.597 -0.087 18879
40 1 2 . 1 1 61 61 LEU N N 61 124.100 124.100 119.744 4.356 18879
41 1 2 . 1 1 61 61 LEU HA H 61 4.156 4.156 4.020 0.136 18879
42 1 2 . 1 1 62 62 LEU N N 62 117.900 117.900 112.474 5.426 18879
43 1 2 . 1 1 62 62 LEU HA H 62 4.020 4.020 4.621 -0.601 18879
44 1 2 . 1 1 63 63 GLY N N 63 104.700 104.700 105.706 -1.006 18879
45 1 2 . 1 1 64 64 ARG N N 64 117.200 117.200 119.286 -2.086 18879
46 1 2 . 1 1 64 64 ARG HA H 64 4.400 4.400 4.611 -0.211 18879
47 1 2 . 1 1 65 65 ILE N N 65 116.500 116.500 118.109 -1.609 18879
48 1 2 . 1 1 65 65 ILE HA H 65 4.092 4.092 4.429 -0.337 18879
49 1 2 . 1 1 66 66 LEU N N 66 119.700 119.700 118.909 0.791 18879
50 1 2 . 1 1 66 66 LEU HA H 66 4.245 4.245 4.636 -0.391 18879
51 1 2 . 1 1 68 68 GLN N N 68 114.400 114.400 117.532 -3.132 18879
52 1 2 . 1 1 68 68 GLN HA H 68 4.055 4.055 4.170 -0.115 18879
53 1 2 . 1 1 69 69 LEU N N 69 119.100 119.100 119.045 0.055 18879
54 1 2 . 1 1 69 69 LEU HA H 69 4.070 4.070 4.080 -0.010 18879
55 1 2 . 1 1 70 70 VAL N N 70 117.200 117.200 112.687 4.513 18879
56 1 2 . 1 1 70 70 VAL HA H 70 3.535 3.535 4.099 -0.564 18879
57 1 2 . 1 1 71 71 CYS N N 71 116.800 116.800 119.897 -3.097 18879
58 1 2 . 1 1 71 71 CYS HA H 71 4.660 4.660 4.699 -0.039 18879
59 1 2 . 1 1 72 72 ARG N N 72 117.200 117.200 118.253 -1.053 18879
60 1 2 . 1 1 72 72 ARG HA H 72 4.370 4.370 4.509 -0.139 18879
61 1 2 . 1 1 73 73 LEU N N 73 115.300 115.300 117.921 -2.621 18879
62 1 2 . 1 1 73 73 LEU HA H 73 4.445 4.445 4.388 0.057 18879
63 1 2 . 1 1 74 74 VAL N N 74 112.200 112.200 117.899 -5.699 18879
64 1 2 . 1 1 74 74 VAL HA H 74 4.350 4.350 3.924 0.426 18879
65 1 2 . 1 1 75 75 LEU N N 75 115.300 115.300 119.527 -4.227 18879
66 1 2 . 1 1 75 75 LEU HA H 75 4.445 4.445 4.011 0.434 18879
67 1 2 . 1 1 76 76 ARG N N 76 118.200 118.200 118.292 -0.092 18879
68 1 2 . 1 1 76 76 ARG HA H 76 4.475 4.475 4.002 0.473 18879
69 1 2 . 1 1 77 77 CYS N N 77 120.600 120.600 115.569 5.031 18879
70 1 2 . 1 1 77 77 CYS HA H 77 4.560 4.560 4.552 0.008 18879
71 1 2 . 1 1 78 78 SER N N 78 116.300 116.300 117.893 -1.593 18879
72 1 2 . 1 1 78 78 SER HA H 78 4.455 4.455 4.266 0.189 18879
73 1 2 . 1 1 79 79 ILE N N 79 121.000 121.000 118.978 2.022 18879
74 1 2 . 1 1 79 79 ILE HA H 79 4.170 4.170 4.200 -0.030 18879
75 1 3 . 1 1 60 60 THR N N 60 115.100 115.100 110.390 4.710 18879
76 1 3 . 1 1 60 60 THR HA H 60 4.510 4.510 4.431 0.079 18879
77 1 3 . 1 1 61 61 LEU N N 61 124.100 124.100 121.376 2.724 18879
78 1 3 . 1 1 61 61 LEU HA H 61 4.156 4.156 3.994 0.162 18879
79 1 3 . 1 1 62 62 LEU N N 62 117.900 117.900 113.826 4.074 18879
80 1 3 . 1 1 62 62 LEU HA H 62 4.020 4.020 4.582 -0.562 18879
81 1 3 . 1 1 63 63 GLY N N 63 104.700 104.700 106.059 -1.359 18879
82 1 3 . 1 1 64 64 ARG N N 64 117.200 117.200 119.041 -1.841 18879
83 1 3 . 1 1 64 64 ARG HA H 64 4.400 4.400 4.693 -0.293 18879
84 1 3 . 1 1 65 65 ILE N N 65 116.500 116.500 117.260 -0.760 18879
85 1 3 . 1 1 65 65 ILE HA H 65 4.092 4.092 4.522 -0.430 18879
86 1 3 . 1 1 66 66 LEU N N 66 119.700 119.700 119.134 0.566 18879
87 1 3 . 1 1 66 66 LEU HA H 66 4.245 4.245 4.690 -0.445 18879
88 1 3 . 1 1 68 68 GLN N N 68 114.400 114.400 117.843 -3.443 18879
89 1 3 . 1 1 68 68 GLN HA H 68 4.055 4.055 4.179 -0.124 18879
90 1 3 . 1 1 69 69 LEU N N 69 119.100 119.100 118.916 0.184 18879
91 1 3 . 1 1 69 69 LEU HA H 69 4.070 4.070 4.063 0.007 18879
92 1 3 . 1 1 70 70 VAL N N 70 117.200 117.200 112.601 4.599 18879
93 1 3 . 1 1 70 70 VAL HA H 70 3.535 3.535 4.142 -0.607 18879
94 1 3 . 1 1 71 71 CYS N N 71 116.800 116.800 120.978 -4.178 18879
95 1 3 . 1 1 71 71 CYS HA H 71 4.660 4.660 4.684 -0.024 18879
96 1 3 . 1 1 72 72 ARG N N 72 117.200 117.200 119.410 -2.210 18879
97 1 3 . 1 1 72 72 ARG HA H 72 4.370 4.370 4.583 -0.213 18879
98 1 3 . 1 1 73 73 LEU N N 73 115.300 115.300 119.317 -4.017 18879
99 1 3 . 1 1 73 73 LEU HA H 73 4.445 4.445 4.511 -0.066 18879
100 1 3 . 1 1 74 74 VAL N N 74 112.200 112.200 118.498 -6.298 18879
101 1 3 . 1 1 74 74 VAL HA H 74 4.350 4.350 3.816 0.534 18879
102 1 3 . 1 1 75 75 LEU N N 75 115.300 115.300 120.298 -4.998 18879
103 1 3 . 1 1 75 75 LEU HA H 75 4.445 4.445 4.043 0.402 18879
104 1 3 . 1 1 76 76 ARG N N 76 118.200 118.200 119.111 -0.911 18879
105 1 3 . 1 1 76 76 ARG HA H 76 4.475 4.475 3.921 0.554 18879
106 1 3 . 1 1 77 77 CYS N N 77 120.600 120.600 118.094 2.506 18879
107 1 3 . 1 1 77 77 CYS HA H 77 4.560 4.560 4.439 0.121 18879
108 1 3 . 1 1 78 78 SER N N 78 116.300 116.300 115.715 0.585 18879
109 1 3 . 1 1 78 78 SER HA H 78 4.455 4.455 4.212 0.243 18879
110 1 3 . 1 1 79 79 ILE N N 79 121.000 121.000 119.521 1.479 18879
111 1 3 . 1 1 79 79 ILE HA H 79 4.170 4.170 4.107 0.063 18879
112 1 4 . 1 1 60 60 THR N N 60 115.100 115.100 112.164 2.936 18879
113 1 4 . 1 1 60 60 THR HA H 60 4.510 4.510 4.423 0.087 18879
114 1 4 . 1 1 61 61 LEU N N 61 124.100 124.100 123.570 0.530 18879
115 1 4 . 1 1 61 61 LEU HA H 61 4.156 4.156 4.066 0.090 18879
116 1 4 . 1 1 62 62 LEU N N 62 117.900 117.900 113.522 4.378 18879
117 1 4 . 1 1 62 62 LEU HA H 62 4.020 4.020 4.846 -0.826 18879
118 1 4 . 1 1 63 63 GLY N N 63 104.700 104.700 106.208 -1.508 18879
119 1 4 . 1 1 64 64 ARG N N 64 117.200 117.200 118.933 -1.733 18879
120 1 4 . 1 1 64 64 ARG HA H 64 4.400 4.400 4.673 -0.273 18879
121 1 4 . 1 1 65 65 ILE N N 65 116.500 116.500 116.871 -0.371 18879
122 1 4 . 1 1 65 65 ILE HA H 65 4.092 4.092 4.264 -0.172 18879
123 1 4 . 1 1 66 66 LEU N N 66 119.700 119.700 119.080 0.620 18879
124 1 4 . 1 1 66 66 LEU HA H 66 4.245 4.245 4.585 -0.340 18879
125 1 4 . 1 1 68 68 GLN N N 68 114.400 114.400 116.797 -2.397 18879
126 1 4 . 1 1 68 68 GLN HA H 68 4.055 4.055 4.167 -0.112 18879
127 1 4 . 1 1 69 69 LEU N N 69 119.100 119.100 117.785 1.315 18879
128 1 4 . 1 1 69 69 LEU HA H 69 4.070 4.070 4.150 -0.080 18879
129 1 4 . 1 1 70 70 VAL N N 70 117.200 117.200 112.351 4.849 18879
130 1 4 . 1 1 70 70 VAL HA H 70 3.535 3.535 4.166 -0.631 18879
131 1 4 . 1 1 71 71 CYS N N 71 116.800 116.800 120.613 -3.813 18879
132 1 4 . 1 1 71 71 CYS HA H 71 4.660 4.660 4.645 0.015 18879
133 1 4 . 1 1 72 72 ARG N N 72 117.200 117.200 119.093 -1.893 18879
134 1 4 . 1 1 72 72 ARG HA H 72 4.370 4.370 4.441 -0.071 18879
135 1 4 . 1 1 73 73 LEU N N 73 115.300 115.300 118.218 -2.918 18879
136 1 4 . 1 1 73 73 LEU HA H 73 4.445 4.445 4.369 0.076 18879
137 1 4 . 1 1 74 74 VAL N N 74 112.200 112.200 118.059 -5.859 18879
138 1 4 . 1 1 74 74 VAL HA H 74 4.350 4.350 3.996 0.354 18879
139 1 4 . 1 1 75 75 LEU N N 75 115.300 115.300 121.395 -6.095 18879
140 1 4 . 1 1 75 75 LEU HA H 75 4.445 4.445 4.088 0.357 18879
141 1 4 . 1 1 76 76 ARG N N 76 118.200 118.200 116.590 1.610 18879
142 1 4 . 1 1 76 76 ARG HA H 76 4.475 4.475 4.276 0.199 18879
143 1 4 . 1 1 77 77 CYS N N 77 120.600 120.600 118.181 2.419 18879
144 1 4 . 1 1 77 77 CYS HA H 77 4.560 4.560 5.033 -0.473 18879
145 1 4 . 1 1 78 78 SER N N 78 116.300 116.300 117.870 -1.570 18879
146 1 4 . 1 1 78 78 SER HA H 78 4.455 4.455 4.282 0.173 18879
147 1 4 . 1 1 79 79 ILE N N 79 121.000 121.000 112.954 8.046 18879
148 1 4 . 1 1 79 79 ILE HA H 79 4.170 4.170 4.448 -0.278 18879
149 1 5 . 1 1 60 60 THR N N 60 115.100 115.100 111.096 4.004 18879
150 1 5 . 1 1 60 60 THR HA H 60 4.510 4.510 4.620 -0.110 18879
151 1 5 . 1 1 61 61 LEU N N 61 124.100 124.100 119.659 4.441 18879
152 1 5 . 1 1 61 61 LEU HA H 61 4.156 4.156 3.992 0.164 18879
153 1 5 . 1 1 62 62 LEU N N 62 117.900 117.900 113.001 4.899 18879
154 1 5 . 1 1 62 62 LEU HA H 62 4.020 4.020 4.629 -0.609 18879
155 1 5 . 1 1 63 63 GLY N N 63 104.700 104.700 106.171 -1.471 18879
156 1 5 . 1 1 64 64 ARG N N 64 117.200 117.200 119.019 -1.819 18879
157 1 5 . 1 1 64 64 ARG HA H 64 4.400 4.400 4.677 -0.277 18879
158 1 5 . 1 1 65 65 ILE N N 65 116.500 116.500 118.139 -1.639 18879
159 1 5 . 1 1 65 65 ILE HA H 65 4.092 4.092 4.485 -0.393 18879
160 1 5 . 1 1 66 66 LEU N N 66 119.700 119.700 118.838 0.862 18879
161 1 5 . 1 1 66 66 LEU HA H 66 4.245 4.245 4.636 -0.391 18879
162 1 5 . 1 1 68 68 GLN N N 68 114.400 114.400 117.708 -3.308 18879
163 1 5 . 1 1 68 68 GLN HA H 68 4.055 4.055 4.166 -0.111 18879
164 1 5 . 1 1 69 69 LEU N N 69 119.100 119.100 119.278 -0.178 18879
165 1 5 . 1 1 69 69 LEU HA H 69 4.070 4.070 4.131 -0.061 18879
166 1 5 . 1 1 70 70 VAL N N 70 117.200 117.200 112.976 4.224 18879
167 1 5 . 1 1 70 70 VAL HA H 70 3.535 3.535 4.119 -0.584 18879
168 1 5 . 1 1 71 71 CYS N N 71 116.800 116.800 119.905 -3.105 18879
169 1 5 . 1 1 71 71 CYS HA H 71 4.660 4.660 4.651 0.009 18879
170 1 5 . 1 1 72 72 ARG N N 72 117.200 117.200 120.286 -3.086 18879
171 1 5 . 1 1 72 72 ARG HA H 72 4.370 4.370 4.154 0.216 18879
172 1 5 . 1 1 73 73 LEU N N 73 115.300 115.300 116.864 -1.564 18879
173 1 5 . 1 1 73 73 LEU HA H 73 4.445 4.445 4.326 0.119 18879
174 1 5 . 1 1 74 74 VAL N N 74 112.200 112.200 116.547 -4.347 18879
175 1 5 . 1 1 74 74 VAL HA H 74 4.350 4.350 3.991 0.359 18879
176 1 5 . 1 1 75 75 LEU N N 75 115.300 115.300 120.741 -5.441 18879
177 1 5 . 1 1 75 75 LEU HA H 75 4.445 4.445 4.013 0.432 18879
178 1 5 . 1 1 76 76 ARG N N 76 118.200 118.200 118.809 -0.609 18879
179 1 5 . 1 1 76 76 ARG HA H 76 4.475 4.475 4.207 0.268 18879
180 1 5 . 1 1 77 77 CYS N N 77 120.600 120.600 116.518 4.082 18879
181 1 5 . 1 1 77 77 CYS HA H 77 4.560 4.560 4.917 -0.357 18879
182 1 5 . 1 1 78 78 SER N N 78 116.300 116.300 117.339 -1.039 18879
183 1 5 . 1 1 78 78 SER HA H 78 4.455 4.455 4.264 0.191 18879
184 1 5 . 1 1 79 79 ILE N N 79 121.000 121.000 113.182 7.818 18879
185 1 5 . 1 1 79 79 ILE HA H 79 4.170 4.170 4.343 -0.173 18879
186 1 6 . 1 1 60 60 THR N N 60 115.100 115.100 111.868 3.232 18879
187 1 6 . 1 1 60 60 THR HA H 60 4.510 4.510 4.605 -0.095 18879
188 1 6 . 1 1 61 61 LEU N N 61 124.100 124.100 119.906 4.194 18879
189 1 6 . 1 1 61 61 LEU HA H 61 4.156 4.156 4.002 0.154 18879
190 1 6 . 1 1 62 62 LEU N N 62 117.900 117.900 112.082 5.818 18879
191 1 6 . 1 1 62 62 LEU HA H 62 4.020 4.020 4.523 -0.503 18879
192 1 6 . 1 1 63 63 GLY N N 63 104.700 104.700 105.671 -0.971 18879
193 1 6 . 1 1 64 64 ARG N N 64 117.200 117.200 118.672 -1.472 18879
194 1 6 . 1 1 64 64 ARG HA H 64 4.400 4.400 4.630 -0.230 18879
195 1 6 . 1 1 65 65 ILE N N 65 116.500 116.500 118.551 -2.051 18879
196 1 6 . 1 1 65 65 ILE HA H 65 4.092 4.092 4.532 -0.440 18879
197 1 6 . 1 1 66 66 LEU N N 66 119.700 119.700 119.010 0.690 18879
198 1 6 . 1 1 66 66 LEU HA H 66 4.245 4.245 4.648 -0.403 18879
199 1 6 . 1 1 68 68 GLN N N 68 114.400 114.400 118.197 -3.797 18879
200 1 6 . 1 1 68 68 GLN HA H 68 4.055 4.055 4.193 -0.138 18879
201 1 6 . 1 1 69 69 LEU N N 69 119.100 119.100 119.089 0.011 18879
202 1 6 . 1 1 69 69 LEU HA H 69 4.070 4.070 4.083 -0.013 18879
203 1 6 . 1 1 70 70 VAL N N 70 117.200 117.200 112.357 4.843 18879
204 1 6 . 1 1 70 70 VAL HA H 70 3.535 3.535 4.095 -0.560 18879
205 1 6 . 1 1 71 71 CYS N N 71 116.800 116.800 119.271 -2.471 18879
206 1 6 . 1 1 71 71 CYS HA H 71 4.660 4.660 4.623 0.037 18879
207 1 6 . 1 1 72 72 ARG N N 72 117.200 117.200 120.083 -2.883 18879
208 1 6 . 1 1 72 72 ARG HA H 72 4.370 4.370 4.189 0.181 18879
209 1 6 . 1 1 73 73 LEU N N 73 115.300 115.300 117.189 -1.889 18879
210 1 6 . 1 1 73 73 LEU HA H 73 4.445 4.445 4.368 0.077 18879
211 1 6 . 1 1 74 74 VAL N N 74 112.200 112.200 118.522 -6.322 18879
212 1 6 . 1 1 74 74 VAL HA H 74 4.350 4.350 4.020 0.330 18879
213 1 6 . 1 1 75 75 LEU N N 75 115.300 115.300 121.459 -6.159 18879
214 1 6 . 1 1 75 75 LEU HA H 75 4.445 4.445 4.092 0.353 18879
215 1 6 . 1 1 76 76 ARG N N 76 118.200 118.200 120.182 -1.982 18879
216 1 6 . 1 1 76 76 ARG HA H 76 4.475 4.475 4.004 0.471 18879
217 1 6 . 1 1 77 77 CYS N N 77 120.600 120.600 116.819 3.781 18879
218 1 6 . 1 1 77 77 CYS HA H 77 4.560 4.560 4.303 0.257 18879
219 1 6 . 1 1 78 78 SER N N 78 116.300 116.300 116.369 -0.069 18879
220 1 6 . 1 1 78 78 SER HA H 78 4.455 4.455 4.307 0.148 18879
221 1 6 . 1 1 79 79 ILE N N 79 121.000 121.000 120.437 0.563 18879
222 1 6 . 1 1 79 79 ILE HA H 79 4.170 4.170 4.093 0.077 18879
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 19 3.540 0.216 3.630 18879
2 1 1 "Average Difference" HA 20 0.332 0.005 0.340 18879
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18879
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18879
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18879
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 18879
7 1 2 "Average Difference" N 19 3.218 0.047 3.306 18879
8 1 2 "Average Difference" HA 20 0.291 0.041 0.296 18879
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18879
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18879
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18879
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 18879
13 1 3 "Average Difference" N 19 3.229 0.452 3.285 18879
14 1 3 "Average Difference" HA 20 0.324 0.023 0.332 18879
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18879
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18879
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18879
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 18879
19 1 4 "Average Difference" N 19 3.544 0.077 3.640 18879
20 1 4 "Average Difference" HA 20 0.316 0.088 0.311 18879
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18879
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18879
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18879
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 18879
25 1 5 "Average Difference" N 19 3.604 -0.143 3.700 18879
26 1 5 "Average Difference" HA 20 0.301 0.058 0.303 18879
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18879
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18879
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18879
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 18879
31 1 6 "Average Difference" N 19 3.418 0.365 3.492 18879
32 1 6 "Average Difference" HA 20 0.286 0.008 0.293 18879
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18879
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18879
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18879
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 18879
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 18879
_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 60 60 THR N N 60 115.100 115.100 111.391 3.709 18879
2 1 . 1 1 60 60 THR HA H 60 4.510 4.510 4.556 -0.046 18879
3 1 . 1 1 61 61 LEU N N 61 124.100 124.100 120.634 3.466 18879
4 1 . 1 1 61 61 LEU HA H 61 4.156 4.156 4.006 0.150 18879
5 1 . 1 1 62 62 LEU N N 62 117.900 117.900 113.069 4.831 18879
6 1 . 1 1 62 62 LEU HA H 62 4.020 4.020 4.630 -0.610 18879
7 1 . 1 1 63 63 GLY N N 63 104.700 104.700 106.225 -1.524 18879
8 1 . 1 1 64 64 ARG N N 64 117.200 117.200 119.024 -1.824 18879
9 1 . 1 1 64 64 ARG HA H 64 4.400 4.400 4.667 -0.268 18879
10 1 . 1 1 65 65 ILE N N 65 116.500 116.500 117.725 -1.225 18879
11 1 . 1 1 65 65 ILE HA H 65 4.092 4.092 4.450 -0.358 18879
12 1 . 1 1 66 66 LEU N N 66 119.700 119.700 118.996 0.704 18879
13 1 . 1 1 66 66 LEU HA H 66 4.245 4.245 4.650 -0.405 18879
14 1 . 1 1 68 68 GLN N N 68 114.400 114.400 117.534 -3.133 18879
15 1 . 1 1 68 68 GLN HA H 68 4.055 4.055 4.171 -0.116 18879
16 1 . 1 1 69 69 LEU N N 69 119.100 119.100 119.005 0.095 18879
17 1 . 1 1 69 69 LEU HA H 69 4.070 4.070 4.090 -0.020 18879
18 1 . 1 1 70 70 VAL N N 70 117.200 117.200 112.735 4.465 18879
19 1 . 1 1 70 70 VAL HA H 70 3.535 3.535 4.128 -0.593 18879
20 1 . 1 1 71 71 CYS N N 71 116.800 116.800 120.075 -3.275 18879
21 1 . 1 1 71 71 CYS HA H 71 4.660 4.660 4.657 0.003 18879
22 1 . 1 1 72 72 ARG N N 72 117.200 117.200 119.370 -2.169 18879
23 1 . 1 1 72 72 ARG HA H 72 4.370 4.370 4.398 -0.028 18879
24 1 . 1 1 73 73 LEU N N 73 115.300 115.300 118.142 -2.842 18879
25 1 . 1 1 73 73 LEU HA H 73 4.445 4.445 4.390 0.055 18879
26 1 . 1 1 74 74 VAL N N 74 112.200 112.200 117.980 -5.780 18879
27 1 . 1 1 74 74 VAL HA H 74 4.350 4.350 3.952 0.398 18879
28 1 . 1 1 75 75 LEU N N 75 115.300 115.300 120.654 -5.354 18879
29 1 . 1 1 75 75 LEU HA H 75 4.445 4.445 4.051 0.393 18879
30 1 . 1 1 76 76 ARG N N 76 118.200 118.200 118.707 -0.507 18879
31 1 . 1 1 76 76 ARG HA H 76 4.475 4.475 4.070 0.405 18879
32 1 . 1 1 77 77 CYS N N 77 120.600 120.600 116.994 3.606 18879
33 1 . 1 1 77 77 CYS HA H 77 4.560 4.560 4.582 -0.022 18879
34 1 . 1 1 78 78 SER N N 78 116.300 116.300 117.046 -0.746 18879
35 1 . 1 1 78 78 SER HA H 78 4.455 4.455 4.299 0.156 18879
36 1 . 1 1 79 79 ILE N N 79 121.000 121.000 116.702 4.298 18879
37 1 . 1 1 79 79 ILE HA H 79 4.170 4.170 4.134 0.036 18879
stop_
save_