data_19675
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19675
_Entry.PDB_ID 2MIE
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 19675
_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 GLU N N 2 124.343 124.343 124.058 0.285 19675
2 1 1 . 1 1 2 2 GLU HA H 2 4.444 4.444 4.487 -0.043 19675
3 1 1 . 1 1 2 2 GLU CA C 2 55.752 55.752 56.510 -0.757 19675
4 1 1 . 1 1 2 2 GLU CB C 2 29.238 29.238 30.919 -1.681 19675
5 1 1 . 1 1 2 2 GLU H H 2 8.829 8.829 8.644 0.185 19675
6 1 1 . 1 1 3 3 VAL N N 3 123.956 123.956 120.565 3.391 19675
7 1 1 . 1 1 3 3 VAL HA H 3 4.440 4.440 4.412 0.028 19675
8 1 1 . 1 1 3 3 VAL CA C 3 59.987 59.987 60.903 -0.916 19675
9 1 1 . 1 1 3 3 VAL CB C 3 32.664 32.664 32.338 0.326 19675
10 1 1 . 1 1 3 3 VAL H H 3 8.481 8.481 8.018 0.463 19675
11 1 1 . 1 1 4 4 PRO HA H 4 4.402 4.402 4.745 -0.343 19675
12 1 1 . 1 1 5 5 SER N N 5 116.474 116.474 111.005 5.469 19675
13 1 1 . 1 1 5 5 SER HA H 5 4.445 4.445 4.188 0.257 19675
14 1 1 . 1 1 5 5 SER CA C 5 63.335 63.335 58.831 4.504 19675
15 1 1 . 1 1 5 5 SER CB C 5 64.099 64.099 61.793 2.306 19675
16 1 1 . 1 1 5 5 SER H H 5 8.410 8.410 8.230 0.180 19675
17 1 1 . 1 1 6 6 GLY N N 6 110.766 110.766 108.852 1.914 19675
18 1 1 . 1 1 6 6 GLY CA C 6 44.637 44.637 45.350 -0.713 19675
19 1 1 . 1 1 6 6 GLY H H 6 8.214 8.214 8.126 0.088 19675
20 1 1 . 1 1 7 7 PRO HA H 7 4.419 4.419 4.318 0.101 19675
21 1 1 . 1 1 8 8 ASN N N 8 120.146 120.146 115.344 4.802 19675
22 1 1 . 1 1 8 8 ASN HA H 8 4.925 4.925 4.374 0.551 19675
23 1 1 . 1 1 8 8 ASN CA C 8 51.466 51.466 53.684 -2.218 19675
24 1 1 . 1 1 8 8 ASN CB C 8 39.266 39.266 36.244 3.022 19675
25 1 1 . 1 1 8 8 ASN H H 8 8.500 8.500 8.395 0.105 19675
26 1 1 . 1 1 9 9 PRO HA H 9 4.429 4.429 4.476 -0.047 19675
27 1 1 . 1 1 9 9 PRO CB C 9 32.123 32.123 32.220 -0.097 19675
28 1 1 . 1 1 10 10 ILE HA H 10 4.164 4.164 4.236 -0.072 19675
29 1 1 . 1 1 10 10 ILE CA C 10 61.184 61.184 61.321 -0.137 19675
30 1 1 . 1 1 10 10 ILE CB C 10 38.707 38.707 39.042 -0.335 19675
31 1 1 . 1 1 10 10 ILE H H 10 8.180 8.180 7.577 0.603 19675
32 1 1 . 1 1 11 11 SER N N 11 120.633 120.633 118.939 1.694 19675
33 1 1 . 1 1 11 11 SER HA H 11 4.415 4.415 4.453 -0.038 19675
34 1 1 . 1 1 11 11 SER CA C 11 63.266 63.266 59.095 4.171 19675
35 1 1 . 1 1 11 11 SER CB C 11 64.096 64.096 61.988 2.108 19675
36 1 1 . 1 1 11 11 SER H H 11 8.274 8.274 8.144 0.130 19675
37 1 2 . 1 1 2 2 GLU N N 2 124.343 124.343 118.598 5.745 19675
38 1 2 . 1 1 2 2 GLU HA H 2 4.444 4.444 4.380 0.064 19675
39 1 2 . 1 1 2 2 GLU CA C 2 55.752 55.752 56.880 -1.128 19675
40 1 2 . 1 1 2 2 GLU CB C 2 29.238 29.238 30.677 -1.439 19675
41 1 2 . 1 1 2 2 GLU H H 2 8.829 8.829 8.252 0.577 19675
42 1 2 . 1 1 3 3 VAL N N 3 123.956 123.956 119.833 4.123 19675
43 1 2 . 1 1 3 3 VAL HA H 3 4.440 4.440 4.455 -0.015 19675
44 1 2 . 1 1 3 3 VAL CA C 3 59.987 59.987 60.869 -0.882 19675
45 1 2 . 1 1 3 3 VAL CB C 3 32.664 32.664 32.742 -0.078 19675
46 1 2 . 1 1 3 3 VAL H H 3 8.481 8.481 8.274 0.207 19675
47 1 2 . 1 1 4 4 PRO HA H 4 4.402 4.402 4.787 -0.385 19675
48 1 2 . 1 1 5 5 SER N N 5 116.474 116.474 111.231 5.243 19675
49 1 2 . 1 1 5 5 SER HA H 5 4.445 4.445 4.142 0.303 19675
50 1 2 . 1 1 5 5 SER CA C 5 63.335 63.335 58.877 4.458 19675
51 1 2 . 1 1 5 5 SER CB C 5 64.099 64.099 62.665 1.434 19675
52 1 2 . 1 1 5 5 SER H H 5 8.410 8.410 8.091 0.319 19675
53 1 2 . 1 1 6 6 GLY N N 6 110.766 110.766 107.969 2.797 19675
54 1 2 . 1 1 6 6 GLY CA C 6 44.637 44.637 45.202 -0.565 19675
55 1 2 . 1 1 6 6 GLY H H 6 8.214 8.214 7.911 0.303 19675
56 1 2 . 1 1 7 7 PRO HA H 7 4.419 4.419 4.378 0.041 19675
57 1 2 . 1 1 8 8 ASN N N 8 120.146 120.146 117.695 2.451 19675
58 1 2 . 1 1 8 8 ASN HA H 8 4.925 4.925 4.593 0.332 19675
59 1 2 . 1 1 8 8 ASN CA C 8 51.466 51.466 53.508 -2.042 19675
60 1 2 . 1 1 8 8 ASN CB C 8 39.266 39.266 38.362 0.904 19675
61 1 2 . 1 1 8 8 ASN H H 8 8.500 8.500 8.462 0.038 19675
62 1 2 . 1 1 9 9 PRO HA H 9 4.429 4.429 4.674 -0.245 19675
63 1 2 . 1 1 9 9 PRO CB C 9 32.123 32.123 32.434 -0.311 19675
64 1 2 . 1 1 10 10 ILE HA H 10 4.164 4.164 4.292 -0.128 19675
65 1 2 . 1 1 10 10 ILE CA C 10 61.184 61.184 61.646 -0.462 19675
66 1 2 . 1 1 10 10 ILE CB C 10 38.707 38.707 38.934 -0.228 19675
67 1 2 . 1 1 10 10 ILE H H 10 8.180 8.180 7.827 0.353 19675
68 1 2 . 1 1 11 11 SER N N 11 120.633 120.633 114.814 5.819 19675
69 1 2 . 1 1 11 11 SER HA H 11 4.415 4.415 4.739 -0.324 19675
70 1 2 . 1 1 11 11 SER CA C 11 63.266 63.266 57.651 5.615 19675
71 1 2 . 1 1 11 11 SER CB C 11 64.096 64.096 65.392 -1.296 19675
72 1 2 . 1 1 11 11 SER H H 11 8.274 8.274 7.769 0.505 19675
73 1 3 . 1 1 2 2 GLU N N 2 124.343 124.343 121.803 2.540 19675
74 1 3 . 1 1 2 2 GLU HA H 2 4.444 4.444 4.397 0.047 19675
75 1 3 . 1 1 2 2 GLU CA C 2 55.752 55.752 57.266 -1.514 19675
76 1 3 . 1 1 2 2 GLU CB C 2 29.238 29.238 30.732 -1.494 19675
77 1 3 . 1 1 2 2 GLU H H 2 8.829 8.829 8.442 0.387 19675
78 1 3 . 1 1 3 3 VAL N N 3 123.956 123.956 120.262 3.694 19675
79 1 3 . 1 1 3 3 VAL HA H 3 4.440 4.440 4.458 -0.018 19675
80 1 3 . 1 1 3 3 VAL CA C 3 59.987 59.987 59.442 0.545 19675
81 1 3 . 1 1 3 3 VAL CB C 3 32.664 32.664 33.376 -0.712 19675
82 1 3 . 1 1 3 3 VAL H H 3 8.481 8.481 7.587 0.894 19675
83 1 3 . 1 1 4 4 PRO HA H 4 4.402 4.402 4.819 -0.417 19675
84 1 3 . 1 1 5 5 SER N N 5 116.474 116.474 114.918 1.556 19675
85 1 3 . 1 1 5 5 SER HA H 5 4.445 4.445 4.190 0.255 19675
86 1 3 . 1 1 5 5 SER CA C 5 63.335 63.335 58.621 4.714 19675
87 1 3 . 1 1 5 5 SER CB C 5 64.099 64.099 62.535 1.564 19675
88 1 3 . 1 1 5 5 SER H H 5 8.410 8.410 8.398 0.012 19675
89 1 3 . 1 1 6 6 GLY N N 6 110.766 110.766 110.151 0.615 19675
90 1 3 . 1 1 6 6 GLY CA C 6 44.637 44.637 45.670 -1.033 19675
91 1 3 . 1 1 6 6 GLY H H 6 8.214 8.214 8.263 -0.049 19675
92 1 3 . 1 1 7 7 PRO HA H 7 4.419 4.419 4.581 -0.162 19675
93 1 3 . 1 1 8 8 ASN N N 8 120.146 120.146 115.724 4.422 19675
94 1 3 . 1 1 8 8 ASN HA H 8 4.925 4.925 4.564 0.361 19675
95 1 3 . 1 1 8 8 ASN CA C 8 51.466 51.466 53.461 -1.995 19675
96 1 3 . 1 1 8 8 ASN CB C 8 39.266 39.266 36.709 2.557 19675
97 1 3 . 1 1 8 8 ASN H H 8 8.500 8.500 8.353 0.147 19675
98 1 3 . 1 1 9 9 PRO HA H 9 4.429 4.429 4.512 -0.083 19675
99 1 3 . 1 1 9 9 PRO CB C 9 32.123 32.123 32.391 -0.268 19675
100 1 3 . 1 1 10 10 ILE HA H 10 4.164 4.164 4.185 -0.021 19675
101 1 3 . 1 1 10 10 ILE CA C 10 61.184 61.184 61.337 -0.153 19675
102 1 3 . 1 1 10 10 ILE CB C 10 38.707 38.707 39.132 -0.425 19675
103 1 3 . 1 1 10 10 ILE H H 10 8.180 8.180 7.708 0.472 19675
104 1 3 . 1 1 11 11 SER N N 11 120.633 120.633 118.760 1.873 19675
105 1 3 . 1 1 11 11 SER HA H 11 4.415 4.415 4.417 -0.002 19675
106 1 3 . 1 1 11 11 SER CA C 11 63.266 63.266 59.172 4.094 19675
107 1 3 . 1 1 11 11 SER CB C 11 64.096 64.096 62.125 1.971 19675
108 1 3 . 1 1 11 11 SER H H 11 8.274 8.274 8.287 -0.013 19675
109 1 4 . 1 1 2 2 GLU N N 2 124.343 124.343 120.864 3.479 19675
110 1 4 . 1 1 2 2 GLU HA H 2 4.444 4.444 4.677 -0.233 19675
111 1 4 . 1 1 2 2 GLU CA C 2 55.752 55.752 55.741 0.011 19675
112 1 4 . 1 1 2 2 GLU CB C 2 29.238 29.238 31.734 -2.496 19675
113 1 4 . 1 1 2 2 GLU H H 2 8.829 8.829 8.168 0.661 19675
114 1 4 . 1 1 3 3 VAL N N 3 123.956 123.956 120.716 3.240 19675
115 1 4 . 1 1 3 3 VAL HA H 3 4.440 4.440 4.392 0.048 19675
116 1 4 . 1 1 3 3 VAL CA C 3 59.987 59.987 60.959 -0.972 19675
117 1 4 . 1 1 3 3 VAL CB C 3 32.664 32.664 32.923 -0.259 19675
118 1 4 . 1 1 3 3 VAL H H 3 8.481 8.481 8.225 0.256 19675
119 1 4 . 1 1 4 4 PRO HA H 4 4.402 4.402 4.793 -0.391 19675
120 1 4 . 1 1 5 5 SER N N 5 116.474 116.474 113.532 2.942 19675
121 1 4 . 1 1 5 5 SER HA H 5 4.445 4.445 4.148 0.297 19675
122 1 4 . 1 1 5 5 SER CA C 5 63.335 63.335 58.611 4.724 19675
123 1 4 . 1 1 5 5 SER CB C 5 64.099 64.099 62.936 1.163 19675
124 1 4 . 1 1 5 5 SER H H 5 8.410 8.410 8.361 0.049 19675
125 1 4 . 1 1 6 6 GLY N N 6 110.766 110.766 110.328 0.438 19675
126 1 4 . 1 1 6 6 GLY CA C 6 44.637 44.637 45.433 -0.796 19675
127 1 4 . 1 1 6 6 GLY H H 6 8.214 8.214 8.310 -0.096 19675
128 1 4 . 1 1 7 7 PRO HA H 7 4.419 4.419 4.439 -0.020 19675
129 1 4 . 1 1 8 8 ASN N N 8 120.146 120.146 115.884 4.262 19675
130 1 4 . 1 1 8 8 ASN HA H 8 4.925 4.925 4.626 0.299 19675
131 1 4 . 1 1 8 8 ASN CA C 8 51.466 51.466 53.675 -2.209 19675
132 1 4 . 1 1 8 8 ASN CB C 8 39.266 39.266 36.294 2.972 19675
133 1 4 . 1 1 8 8 ASN H H 8 8.500 8.500 8.449 0.051 19675
134 1 4 . 1 1 9 9 PRO HA H 9 4.429 4.429 4.501 -0.072 19675
135 1 4 . 1 1 9 9 PRO CB C 9 32.123 32.123 32.328 -0.205 19675
136 1 4 . 1 1 10 10 ILE HA H 10 4.164 4.164 4.333 -0.169 19675
137 1 4 . 1 1 10 10 ILE CA C 10 61.184 61.184 61.272 -0.088 19675
138 1 4 . 1 1 10 10 ILE CB C 10 38.707 38.707 38.382 0.325 19675
139 1 4 . 1 1 10 10 ILE H H 10 8.180 8.180 7.771 0.409 19675
140 1 4 . 1 1 11 11 SER N N 11 120.633 120.633 116.562 4.071 19675
141 1 4 . 1 1 11 11 SER HA H 11 4.415 4.415 4.659 -0.244 19675
142 1 4 . 1 1 11 11 SER CA C 11 63.266 63.266 57.835 5.431 19675
143 1 4 . 1 1 11 11 SER CB C 11 64.096 64.096 64.256 -0.160 19675
144 1 4 . 1 1 11 11 SER H H 11 8.274 8.274 7.905 0.369 19675
145 1 5 . 1 1 2 2 GLU N N 2 124.343 124.343 120.872 3.471 19675
146 1 5 . 1 1 2 2 GLU HA H 2 4.444 4.444 4.409 0.035 19675
147 1 5 . 1 1 2 2 GLU CA C 2 55.752 55.752 56.683 -0.931 19675
148 1 5 . 1 1 2 2 GLU CB C 2 29.238 29.238 31.120 -1.882 19675
149 1 5 . 1 1 2 2 GLU H H 2 8.829 8.829 8.521 0.308 19675
150 1 5 . 1 1 3 3 VAL N N 3 123.956 123.956 120.166 3.790 19675
151 1 5 . 1 1 3 3 VAL HA H 3 4.440 4.440 4.391 0.049 19675
152 1 5 . 1 1 3 3 VAL CA C 3 59.987 59.987 60.837 -0.850 19675
153 1 5 . 1 1 3 3 VAL CB C 3 32.664 32.664 32.763 -0.099 19675
154 1 5 . 1 1 3 3 VAL H H 3 8.481 8.481 7.916 0.565 19675
155 1 5 . 1 1 4 4 PRO HA H 4 4.402 4.402 4.728 -0.326 19675
156 1 5 . 1 1 5 5 SER N N 5 116.474 116.474 111.419 5.055 19675
157 1 5 . 1 1 5 5 SER HA H 5 4.445 4.445 4.194 0.251 19675
158 1 5 . 1 1 5 5 SER CA C 5 63.335 63.335 59.131 4.204 19675
159 1 5 . 1 1 5 5 SER CB C 5 64.099 64.099 62.603 1.496 19675
160 1 5 . 1 1 5 5 SER H H 5 8.410 8.410 8.155 0.255 19675
161 1 5 . 1 1 6 6 GLY N N 6 110.766 110.766 109.447 1.319 19675
162 1 5 . 1 1 6 6 GLY CA C 6 44.637 44.637 45.227 -0.591 19675
163 1 5 . 1 1 6 6 GLY H H 6 8.214 8.214 7.961 0.253 19675
164 1 5 . 1 1 7 7 PRO HA H 7 4.419 4.419 4.476 -0.057 19675
165 1 5 . 1 1 8 8 ASN N N 8 120.146 120.146 118.241 1.905 19675
166 1 5 . 1 1 8 8 ASN HA H 8 4.925 4.925 4.551 0.374 19675
167 1 5 . 1 1 8 8 ASN CA C 8 51.466 51.466 53.608 -2.142 19675
168 1 5 . 1 1 8 8 ASN CB C 8 39.266 39.266 36.701 2.565 19675
169 1 5 . 1 1 8 8 ASN H H 8 8.500 8.500 8.184 0.316 19675
170 1 5 . 1 1 9 9 PRO HA H 9 4.429 4.429 4.521 -0.092 19675
171 1 5 . 1 1 9 9 PRO CB C 9 32.123 32.123 32.664 -0.541 19675
172 1 5 . 1 1 10 10 ILE HA H 10 4.164 4.164 4.375 -0.211 19675
173 1 5 . 1 1 10 10 ILE CA C 10 61.184 61.184 60.854 0.330 19675
174 1 5 . 1 1 10 10 ILE CB C 10 38.707 38.707 38.833 -0.126 19675
175 1 5 . 1 1 10 10 ILE H H 10 8.180 8.180 7.782 0.398 19675
176 1 5 . 1 1 11 11 SER N N 11 120.633 120.633 118.950 1.683 19675
177 1 5 . 1 1 11 11 SER HA H 11 4.415 4.415 4.772 -0.357 19675
178 1 5 . 1 1 11 11 SER CA C 11 63.266 63.266 57.606 5.660 19675
179 1 5 . 1 1 11 11 SER CB C 11 64.096 64.096 62.301 1.794 19675
180 1 5 . 1 1 11 11 SER H H 11 8.274 8.274 8.217 0.057 19675
181 1 6 . 1 1 2 2 GLU N N 2 124.343 124.343 122.294 2.049 19675
182 1 6 . 1 1 2 2 GLU HA H 2 4.444 4.444 4.493 -0.049 19675
183 1 6 . 1 1 2 2 GLU CA C 2 55.752 55.752 56.341 -0.589 19675
184 1 6 . 1 1 2 2 GLU CB C 2 29.238 29.238 31.308 -2.070 19675
185 1 6 . 1 1 2 2 GLU H H 2 8.829 8.829 8.295 0.534 19675
186 1 6 . 1 1 3 3 VAL N N 3 123.956 123.956 120.013 3.943 19675
187 1 6 . 1 1 3 3 VAL HA H 3 4.440 4.440 4.445 -0.005 19675
188 1 6 . 1 1 3 3 VAL CA C 3 59.987 59.987 60.919 -0.932 19675
189 1 6 . 1 1 3 3 VAL CB C 3 32.664 32.664 32.579 0.085 19675
190 1 6 . 1 1 3 3 VAL H H 3 8.481 8.481 7.883 0.598 19675
191 1 6 . 1 1 4 4 PRO HA H 4 4.402 4.402 4.675 -0.273 19675
192 1 6 . 1 1 5 5 SER N N 5 116.474 116.474 111.222 5.252 19675
193 1 6 . 1 1 5 5 SER HA H 5 4.445 4.445 4.179 0.266 19675
194 1 6 . 1 1 5 5 SER CA C 5 63.335 63.335 58.761 4.574 19675
195 1 6 . 1 1 5 5 SER CB C 5 64.099 64.099 62.859 1.240 19675
196 1 6 . 1 1 5 5 SER H H 5 8.410 8.410 8.012 0.398 19675
197 1 6 . 1 1 6 6 GLY N N 6 110.766 110.766 108.440 2.326 19675
198 1 6 . 1 1 6 6 GLY CA C 6 44.637 44.637 45.666 -1.029 19675
199 1 6 . 1 1 6 6 GLY H H 6 8.214 8.214 7.936 0.278 19675
200 1 6 . 1 1 7 7 PRO HA H 7 4.419 4.419 4.315 0.104 19675
201 1 6 . 1 1 8 8 ASN N N 8 120.146 120.146 115.430 4.716 19675
202 1 6 . 1 1 8 8 ASN HA H 8 4.925 4.925 4.860 0.065 19675
203 1 6 . 1 1 8 8 ASN CA C 8 51.466 51.466 53.667 -2.201 19675
204 1 6 . 1 1 8 8 ASN CB C 8 39.266 39.266 37.454 1.812 19675
205 1 6 . 1 1 8 8 ASN H H 8 8.500 8.500 8.385 0.115 19675
206 1 6 . 1 1 9 9 PRO HA H 9 4.429 4.429 4.172 0.257 19675
207 1 6 . 1 1 9 9 PRO CB C 9 32.123 32.123 31.480 0.643 19675
208 1 6 . 1 1 10 10 ILE HA H 10 4.164 4.164 4.338 -0.174 19675
209 1 6 . 1 1 10 10 ILE CA C 10 61.184 61.184 60.812 0.372 19675
210 1 6 . 1 1 10 10 ILE CB C 10 38.707 38.707 38.124 0.583 19675
211 1 6 . 1 1 10 10 ILE H H 10 8.180 8.180 7.632 0.548 19675
212 1 6 . 1 1 11 11 SER N N 11 120.633 120.633 117.075 3.558 19675
213 1 6 . 1 1 11 11 SER HA H 11 4.415 4.415 4.498 -0.083 19675
214 1 6 . 1 1 11 11 SER CA C 11 63.266 63.266 58.206 5.060 19675
215 1 6 . 1 1 11 11 SER CB C 11 64.096 64.096 65.192 -1.096 19675
216 1 6 . 1 1 11 11 SER H H 11 8.274 8.274 8.621 -0.347 19675
217 1 7 . 1 1 2 2 GLU N N 2 124.343 124.343 121.554 2.789 19675
218 1 7 . 1 1 2 2 GLU HA H 2 4.444 4.444 4.462 -0.018 19675
219 1 7 . 1 1 2 2 GLU CA C 2 55.752 55.752 56.382 -0.630 19675
220 1 7 . 1 1 2 2 GLU CB C 2 29.238 29.238 31.581 -2.343 19675
221 1 7 . 1 1 2 2 GLU H H 2 8.829 8.829 8.424 0.405 19675
222 1 7 . 1 1 3 3 VAL N N 3 123.956 123.956 119.021 4.935 19675
223 1 7 . 1 1 3 3 VAL HA H 3 4.440 4.440 4.503 -0.063 19675
224 1 7 . 1 1 3 3 VAL CA C 3 59.987 59.987 60.793 -0.806 19675
225 1 7 . 1 1 3 3 VAL CB C 3 32.664 32.664 32.282 0.382 19675
226 1 7 . 1 1 3 3 VAL H H 3 8.481 8.481 8.068 0.413 19675
227 1 7 . 1 1 4 4 PRO HA H 4 4.402 4.402 4.807 -0.405 19675
228 1 7 . 1 1 5 5 SER N N 5 116.474 116.474 114.180 2.294 19675
229 1 7 . 1 1 5 5 SER HA H 5 4.445 4.445 4.184 0.262 19675
230 1 7 . 1 1 5 5 SER CA C 5 63.335 63.335 59.162 4.173 19675
231 1 7 . 1 1 5 5 SER CB C 5 64.099 64.099 62.500 1.599 19675
232 1 7 . 1 1 5 5 SER H H 5 8.410 8.410 8.179 0.231 19675
233 1 7 . 1 1 6 6 GLY N N 6 110.766 110.766 110.322 0.444 19675
234 1 7 . 1 1 6 6 GLY CA C 6 44.637 44.637 45.318 -0.681 19675
235 1 7 . 1 1 6 6 GLY H H 6 8.214 8.214 8.082 0.132 19675
236 1 7 . 1 1 7 7 PRO HA H 7 4.419 4.419 4.257 0.162 19675
237 1 7 . 1 1 8 8 ASN N N 8 120.146 120.146 110.028 10.118 19675
238 1 7 . 1 1 8 8 ASN HA H 8 4.925 4.925 5.090 -0.165 19675
239 1 7 . 1 1 8 8 ASN CA C 8 51.466 51.466 52.126 -0.660 19675
240 1 7 . 1 1 8 8 ASN CB C 8 39.266 39.266 37.300 1.966 19675
241 1 7 . 1 1 8 8 ASN H H 8 8.500 8.500 8.110 0.390 19675
242 1 7 . 1 1 9 9 PRO HA H 9 4.429 4.429 4.716 -0.287 19675
243 1 7 . 1 1 9 9 PRO CB C 9 32.123 32.123 32.850 -0.727 19675
244 1 7 . 1 1 10 10 ILE HA H 10 4.164 4.164 4.414 -0.250 19675
245 1 7 . 1 1 10 10 ILE CA C 10 61.184 61.184 61.147 0.037 19675
246 1 7 . 1 1 10 10 ILE CB C 10 38.707 38.707 38.793 -0.086 19675
247 1 7 . 1 1 10 10 ILE H H 10 8.180 8.180 7.791 0.389 19675
248 1 7 . 1 1 11 11 SER N N 11 120.633 120.633 117.267 3.366 19675
249 1 7 . 1 1 11 11 SER HA H 11 4.415 4.415 4.574 -0.159 19675
250 1 7 . 1 1 11 11 SER CA C 11 63.266 63.266 57.225 6.041 19675
251 1 7 . 1 1 11 11 SER CB C 11 64.096 64.096 62.031 2.065 19675
252 1 7 . 1 1 11 11 SER H H 11 8.274 8.274 8.195 0.079 19675
253 1 8 . 1 1 2 2 GLU N N 2 124.343 124.343 120.176 4.167 19675
254 1 8 . 1 1 2 2 GLU HA H 2 4.444 4.444 4.215 0.229 19675
255 1 8 . 1 1 2 2 GLU CA C 2 55.752 55.752 58.086 -2.334 19675
256 1 8 . 1 1 2 2 GLU CB C 2 29.238 29.238 30.113 -0.875 19675
257 1 8 . 1 1 2 2 GLU H H 2 8.829 8.829 8.586 0.243 19675
258 1 8 . 1 1 3 3 VAL N N 3 123.956 123.956 117.678 6.278 19675
259 1 8 . 1 1 3 3 VAL HA H 3 4.440 4.440 4.455 -0.015 19675
260 1 8 . 1 1 3 3 VAL CA C 3 59.987 59.987 60.571 -0.584 19675
261 1 8 . 1 1 3 3 VAL CB C 3 32.664 32.664 32.669 -0.004 19675
262 1 8 . 1 1 3 3 VAL H H 3 8.481 8.481 7.901 0.580 19675
263 1 8 . 1 1 4 4 PRO HA H 4 4.402 4.402 4.822 -0.420 19675
264 1 8 . 1 1 5 5 SER N N 5 116.474 116.474 114.048 2.426 19675
265 1 8 . 1 1 5 5 SER HA H 5 4.445 4.445 4.166 0.279 19675
266 1 8 . 1 1 5 5 SER CA C 5 63.335 63.335 59.159 4.176 19675
267 1 8 . 1 1 5 5 SER CB C 5 64.099 64.099 62.576 1.523 19675
268 1 8 . 1 1 5 5 SER H H 5 8.410 8.410 8.161 0.249 19675
269 1 8 . 1 1 6 6 GLY N N 6 110.766 110.766 110.622 0.144 19675
270 1 8 . 1 1 6 6 GLY CA C 6 44.637 44.637 45.523 -0.886 19675
271 1 8 . 1 1 6 6 GLY H H 6 8.214 8.214 8.422 -0.208 19675
272 1 8 . 1 1 7 7 PRO HA H 7 4.419 4.419 4.325 0.094 19675
273 1 8 . 1 1 8 8 ASN N N 8 120.146 120.146 110.517 9.629 19675
274 1 8 . 1 1 8 8 ASN HA H 8 4.925 4.925 4.952 -0.027 19675
275 1 8 . 1 1 8 8 ASN CA C 8 51.466 51.466 52.385 -0.919 19675
276 1 8 . 1 1 8 8 ASN CB C 8 39.266 39.266 37.568 1.698 19675
277 1 8 . 1 1 8 8 ASN H H 8 8.500 8.500 8.102 0.398 19675
278 1 8 . 1 1 9 9 PRO HA H 9 4.429 4.429 4.575 -0.146 19675
279 1 8 . 1 1 9 9 PRO CB C 9 32.123 32.123 32.420 -0.297 19675
280 1 8 . 1 1 10 10 ILE HA H 10 4.164 4.164 4.383 -0.219 19675
281 1 8 . 1 1 10 10 ILE CA C 10 61.184 61.184 61.757 -0.573 19675
282 1 8 . 1 1 10 10 ILE CB C 10 38.707 38.707 38.954 -0.247 19675
283 1 8 . 1 1 10 10 ILE H H 10 8.180 8.180 7.711 0.469 19675
284 1 8 . 1 1 11 11 SER N N 11 120.633 120.633 118.202 2.431 19675
285 1 8 . 1 1 11 11 SER HA H 11 4.415 4.415 4.748 -0.333 19675
286 1 8 . 1 1 11 11 SER CA C 11 63.266 63.266 57.616 5.650 19675
287 1 8 . 1 1 11 11 SER CB C 11 64.096 64.096 62.136 1.960 19675
288 1 8 . 1 1 11 11 SER H H 11 8.274 8.274 8.195 0.079 19675
289 1 9 . 1 1 2 2 GLU N N 2 124.343 124.343 121.252 3.091 19675
290 1 9 . 1 1 2 2 GLU HA H 2 4.444 4.444 4.509 -0.065 19675
291 1 9 . 1 1 2 2 GLU CA C 2 55.752 55.752 56.671 -0.919 19675
292 1 9 . 1 1 2 2 GLU CB C 2 29.238 29.238 31.222 -1.984 19675
293 1 9 . 1 1 2 2 GLU H H 2 8.829 8.829 8.342 0.487 19675
294 1 9 . 1 1 3 3 VAL N N 3 123.956 123.956 120.262 3.694 19675
295 1 9 . 1 1 3 3 VAL HA H 3 4.440 4.440 4.356 0.084 19675
296 1 9 . 1 1 3 3 VAL CA C 3 59.987 59.987 61.544 -1.557 19675
297 1 9 . 1 1 3 3 VAL CB C 3 32.664 32.664 32.715 -0.051 19675
298 1 9 . 1 1 3 3 VAL H H 3 8.481 8.481 7.989 0.492 19675
299 1 9 . 1 1 4 4 PRO HA H 4 4.402 4.402 4.750 -0.348 19675
300 1 9 . 1 1 5 5 SER N N 5 116.474 116.474 111.288 5.186 19675
301 1 9 . 1 1 5 5 SER HA H 5 4.445 4.445 4.153 0.292 19675
302 1 9 . 1 1 5 5 SER CA C 5 63.335 63.335 59.039 4.296 19675
303 1 9 . 1 1 5 5 SER CB C 5 64.099 64.099 62.937 1.162 19675
304 1 9 . 1 1 5 5 SER H H 5 8.410 8.410 8.191 0.219 19675
305 1 9 . 1 1 6 6 GLY N N 6 110.766 110.766 109.912 0.854 19675
306 1 9 . 1 1 6 6 GLY CA C 6 44.637 44.637 45.500 -0.863 19675
307 1 9 . 1 1 6 6 GLY H H 6 8.214 8.214 8.037 0.177 19675
308 1 9 . 1 1 7 7 PRO HA H 7 4.419 4.419 4.323 0.096 19675
309 1 9 . 1 1 8 8 ASN N N 8 120.146 120.146 111.287 8.859 19675
310 1 9 . 1 1 8 8 ASN HA H 8 4.925 4.925 5.157 -0.232 19675
311 1 9 . 1 1 8 8 ASN CA C 8 51.466 51.466 51.453 0.013 19675
312 1 9 . 1 1 8 8 ASN CB C 8 39.266 39.266 37.844 1.422 19675
313 1 9 . 1 1 8 8 ASN H H 8 8.500 8.500 8.173 0.327 19675
314 1 9 . 1 1 9 9 PRO HA H 9 4.429 4.429 4.580 -0.151 19675
315 1 9 . 1 1 9 9 PRO CB C 9 32.123 32.123 32.350 -0.227 19675
316 1 9 . 1 1 10 10 ILE HA H 10 4.164 4.164 4.255 -0.091 19675
317 1 9 . 1 1 10 10 ILE CA C 10 61.184 61.184 61.452 -0.268 19675
318 1 9 . 1 1 10 10 ILE CB C 10 38.707 38.707 38.922 -0.214 19675
319 1 9 . 1 1 10 10 ILE H H 10 8.180 8.180 7.763 0.417 19675
320 1 9 . 1 1 11 11 SER N N 11 120.633 120.633 118.228 2.405 19675
321 1 9 . 1 1 11 11 SER HA H 11 4.415 4.415 4.607 -0.193 19675
322 1 9 . 1 1 11 11 SER CA C 11 63.266 63.266 57.155 6.111 19675
323 1 9 . 1 1 11 11 SER CB C 11 64.096 64.096 62.140 1.956 19675
324 1 9 . 1 1 11 11 SER H H 11 8.274 8.274 8.190 0.084 19675
325 1 10 . 1 1 2 2 GLU N N 2 124.343 124.343 122.333 2.010 19675
326 1 10 . 1 1 2 2 GLU HA H 2 4.444 4.444 4.457 -0.013 19675
327 1 10 . 1 1 2 2 GLU CA C 2 55.752 55.752 56.724 -0.972 19675
328 1 10 . 1 1 2 2 GLU CB C 2 29.238 29.238 31.099 -1.861 19675
329 1 10 . 1 1 2 2 GLU H H 2 8.829 8.829 8.288 0.541 19675
330 1 10 . 1 1 3 3 VAL N N 3 123.956 123.956 118.145 5.811 19675
331 1 10 . 1 1 3 3 VAL HA H 3 4.440 4.440 4.351 0.089 19675
332 1 10 . 1 1 3 3 VAL CA C 3 59.987 59.987 61.864 -1.877 19675
333 1 10 . 1 1 3 3 VAL CB C 3 32.664 32.664 32.705 -0.041 19675
334 1 10 . 1 1 3 3 VAL H H 3 8.481 8.481 7.980 0.501 19675
335 1 10 . 1 1 4 4 PRO HA H 4 4.402 4.402 4.721 -0.319 19675
336 1 10 . 1 1 5 5 SER N N 5 116.474 116.474 113.299 3.175 19675
337 1 10 . 1 1 5 5 SER HA H 5 4.445 4.445 4.236 0.209 19675
338 1 10 . 1 1 5 5 SER CA C 5 63.335 63.335 58.629 4.706 19675
339 1 10 . 1 1 5 5 SER CB C 5 64.099 64.099 61.908 2.191 19675
340 1 10 . 1 1 5 5 SER H H 5 8.410 8.410 8.147 0.263 19675
341 1 10 . 1 1 6 6 GLY N N 6 110.766 110.766 108.446 2.320 19675
342 1 10 . 1 1 6 6 GLY CA C 6 44.637 44.637 44.969 -0.332 19675
343 1 10 . 1 1 6 6 GLY H H 6 8.214 8.214 7.869 0.345 19675
344 1 10 . 1 1 7 7 PRO HA H 7 4.419 4.419 4.307 0.112 19675
345 1 10 . 1 1 8 8 ASN N N 8 120.146 120.146 112.677 7.469 19675
346 1 10 . 1 1 8 8 ASN HA H 8 4.925 4.925 4.898 0.027 19675
347 1 10 . 1 1 8 8 ASN CA C 8 51.466 51.466 51.631 -0.165 19675
348 1 10 . 1 1 8 8 ASN CB C 8 39.266 39.266 37.835 1.431 19675
349 1 10 . 1 1 8 8 ASN H H 8 8.500 8.500 8.295 0.205 19675
350 1 10 . 1 1 9 9 PRO HA H 9 4.429 4.429 4.917 -0.488 19675
351 1 10 . 1 1 9 9 PRO CB C 9 32.123 32.123 32.834 -0.711 19675
352 1 10 . 1 1 10 10 ILE HA H 10 4.164 4.164 4.161 0.003 19675
353 1 10 . 1 1 10 10 ILE CA C 10 61.184 61.184 61.672 -0.488 19675
354 1 10 . 1 1 10 10 ILE CB C 10 38.707 38.707 38.405 0.302 19675
355 1 10 . 1 1 10 10 ILE H H 10 8.180 8.180 7.747 0.433 19675
356 1 10 . 1 1 11 11 SER N N 11 120.633 120.633 116.956 3.677 19675
357 1 10 . 1 1 11 11 SER HA H 11 4.415 4.415 4.251 0.164 19675
358 1 10 . 1 1 11 11 SER CA C 11 63.266 63.266 60.359 2.907 19675
359 1 10 . 1 1 11 11 SER CB C 11 64.096 64.096 63.248 0.848 19675
360 1 10 . 1 1 11 11 SER H H 11 8.274 8.274 8.206 0.068 19675
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 6 3.442 -2.926 1.986 19675
2 1 1 "Average Difference" HA 11 0.227 -0.066 0.227 19675
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19675
4 1 1 "Average Difference" CA 7 2.523 -0.562 2.656 19675
5 1 1 "Average Difference" CB 7 1.771 -0.807 1.703 19675
6 1 1 "Average Difference" HN 7 0.312 -0.251 0.200 19675
7 1 2 "Average Difference" N 6 4.568 -4.363 1.481 19675
8 1 2 "Average Difference" HA 11 0.222 0.039 0.229 19675
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19675
10 1 2 "Average Difference" CA 7 2.882 -0.713 3.016 19675
11 1 2 "Average Difference" CB 7 0.984 0.145 1.051 19675
12 1 2 "Average Difference" HN 7 0.368 -0.329 0.180 19675
13 1 3 "Average Difference" N 6 2.768 -2.450 1.410 19675
14 1 3 "Average Difference" HA 11 0.197 0.023 0.206 19675
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19675
16 1 3 "Average Difference" CA 7 2.581 -0.666 2.694 19675
17 1 3 "Average Difference" CB 7 1.505 -0.456 1.549 19675
18 1 3 "Average Difference" HN 7 0.414 -0.264 0.344 19675
19 1 4 "Average Difference" N 6 3.321 -3.072 1.383 19675
20 1 4 "Average Difference" HA 11 0.212 0.059 0.214 19675
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19675
22 1 4 "Average Difference" CA 7 2.885 -0.872 2.971 19675
23 1 4 "Average Difference" CB 7 1.542 -0.191 1.653 19675
24 1 4 "Average Difference" HN 7 0.342 -0.243 0.261 19675
25 1 5 "Average Difference" N 6 3.167 -2.871 1.465 19675
26 1 5 "Average Difference" HA 11 0.213 0.035 0.220 19675
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19675
28 1 5 "Average Difference" CA 7 2.837 -0.811 2.937 19675
29 1 5 "Average Difference" CB 7 1.507 -0.458 1.550 19675
30 1 5 "Average Difference" HN 7 0.339 -0.308 0.154 19675
31 1 6 "Average Difference" N 6 3.822 -3.641 1.274 19675
32 1 6 "Average Difference" HA 11 0.160 -0.025 0.166 19675
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19675
34 1 6 "Average Difference" CA 7 2.772 -0.751 2.882 19675
35 1 6 "Average Difference" CB 7 1.257 -0.171 1.345 19675
36 1 6 "Average Difference" HN 7 0.433 -0.303 0.334 19675
37 1 7 "Average Difference" N 6 5.022 -3.991 3.338 19675
38 1 7 "Average Difference" HA 11 0.211 0.106 0.192 19675
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19675
40 1 7 "Average Difference" CA 7 2.825 -1.068 2.825 19675
41 1 7 "Average Difference" CB 7 1.552 -0.408 1.617 19675
42 1 7 "Average Difference" HN 7 0.320 -0.291 0.142 19675
43 1 8 "Average Difference" N 6 5.185 -4.179 3.362 19675
44 1 8 "Average Difference" HA 11 0.213 0.058 0.215 19675
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19675
46 1 8 "Average Difference" CA 7 2.856 -0.647 3.005 19675
47 1 8 "Average Difference" CB 7 1.193 -0.537 1.151 19675
48 1 8 "Average Difference" HN 7 0.356 -0.259 0.264 19675
49 1 9 "Average Difference" N 6 4.745 -4.015 2.770 19675
50 1 9 "Average Difference" HA 11 0.182 0.041 0.186 19675
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19675
52 1 9 "Average Difference" CA 7 2.925 -0.973 2.979 19675
53 1 9 "Average Difference" CB 7 1.267 -0.295 1.331 19675
54 1 9 "Average Difference" HN 7 0.348 -0.315 0.160 19675
55 1 10 "Average Difference" N 6 4.520 -4.077 2.138 19675
56 1 10 "Average Difference" HA 11 0.205 0.042 0.211 19675
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19675
58 1 10 "Average Difference" CA 7 2.250 -0.540 2.359 19675
59 1 10 "Average Difference" CB 7 1.289 -0.309 1.352 19675
60 1 10 "Average Difference" HN 7 0.372 -0.337 0.170 19675
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 19675
_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 GLU N N 2 124.343 124.343 121.380 2.963 19675
2 1 . 1 1 2 2 GLU HA H 2 4.444 4.444 4.449 -0.005 19675
3 1 . 1 1 2 2 GLU CA C 2 55.752 55.752 56.728 -0.976 19675
4 1 . 1 1 2 2 GLU CB C 2 29.238 29.238 31.050 -1.812 19675
5 1 . 1 1 2 2 GLU H H 2 8.829 8.829 8.396 0.433 19675
6 1 . 1 1 3 3 VAL N N 3 123.956 123.956 119.666 4.290 19675
7 1 . 1 1 3 3 VAL HA H 3 4.440 4.440 4.422 0.018 19675
8 1 . 1 1 3 3 VAL CA C 3 59.987 59.987 60.870 -0.883 19675
9 1 . 1 1 3 3 VAL CB C 3 32.664 32.664 32.709 -0.045 19675
10 1 . 1 1 3 3 VAL H H 3 8.481 8.481 7.984 0.497 19675
11 1 . 1 1 4 4 PRO HA H 4 4.402 4.402 4.765 -0.363 19675
12 1 . 1 1 5 5 SER N N 5 116.474 116.474 112.614 3.860 19675
13 1 . 1 1 5 5 SER HA H 5 4.445 4.445 4.178 0.267 19675
14 1 . 1 1 5 5 SER CA C 5 63.335 63.335 58.882 4.453 19675
15 1 . 1 1 5 5 SER CB C 5 64.099 64.099 62.531 1.568 19675
16 1 . 1 1 5 5 SER H H 5 8.410 8.410 8.193 0.218 19675
17 1 . 1 1 6 6 GLY N N 6 110.766 110.766 109.449 1.317 19675
18 1 . 1 1 6 6 GLY CA C 6 44.637 44.637 45.386 -0.749 19675
19 1 . 1 1 6 6 GLY H H 6 8.214 8.214 8.092 0.122 19675
20 1 . 1 1 7 7 PRO HA H 7 4.419 4.419 4.372 0.047 19675
21 1 . 1 1 8 8 ASN N N 8 120.146 120.146 114.283 5.863 19675
22 1 . 1 1 8 8 ASN HA H 8 4.925 4.925 4.766 0.158 19675
23 1 . 1 1 8 8 ASN CA C 8 51.466 51.466 52.920 -1.454 19675
24 1 . 1 1 8 8 ASN CB C 8 39.266 39.266 37.231 2.035 19675
25 1 . 1 1 8 8 ASN H H 8 8.500 8.500 8.291 0.209 19675
26 1 . 1 1 9 9 PRO HA H 9 4.429 4.429 4.564 -0.135 19675
27 1 . 1 1 9 9 PRO CB C 9 32.123 32.123 32.397 -0.274 19675
28 1 . 1 1 10 10 ILE HA H 10 4.164 4.164 4.297 -0.133 19675
29 1 . 1 1 10 10 ILE CA C 10 61.184 61.184 61.327 -0.143 19675
30 1 . 1 1 10 10 ILE CB C 10 38.707 38.707 38.752 -0.045 19675
31 1 . 1 1 10 10 ILE H H 10 8.180 8.180 7.731 0.449 19675
32 1 . 1 1 11 11 SER N N 11 120.633 120.633 117.575 3.058 19675
33 1 . 1 1 11 11 SER HA H 11 4.415 4.415 4.572 -0.157 19675
34 1 . 1 1 11 11 SER CA C 11 63.266 63.266 58.192 5.074 19675
35 1 . 1 1 11 11 SER CB C 11 64.096 64.096 63.081 1.015 19675
36 1 . 1 1 11 11 SER H H 11 8.274 8.274 8.173 0.101 19675
stop_
save_