data_25529
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25529
_Entry.PDB_ID 2N0O
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 25529
_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 PHE HA H 2 4.620 4.620 4.330 0.290 25529
2 1 1 . 1 1 2 2 PHE CA C 2 4.620 4.620 61.708 -57.088 25529
3 1 1 . 1 1 2 2 PHE H H 2 8.340 8.340 7.521 0.819 25529
4 1 1 . 1 1 3 3 GLY H H 3 8.350 8.350 8.430 -0.080 25529
5 1 1 . 1 1 4 4 ALA HA H 4 4.380 4.380 4.641 -0.261 25529
6 1 1 . 1 1 4 4 ALA H H 4 8.100 8.100 8.262 -0.162 25529
7 1 1 . 1 1 5 5 ILE HA H 5 4.080 4.080 3.965 0.115 25529
8 1 1 . 1 1 5 5 ILE H H 5 7.920 7.920 8.206 -0.285 25529
9 1 1 . 1 1 6 6 LEU HA H 6 4.250 4.250 4.174 0.076 25529
10 1 1 . 1 1 6 6 LEU H H 6 8.190 8.190 8.674 -0.484 25529
11 1 1 . 1 1 7 7 PRO HA H 7 4.280 4.280 4.246 0.034 25529
12 1 1 . 1 1 8 8 LEU HA H 8 4.190 4.190 3.988 0.202 25529
13 1 1 . 1 1 8 8 LEU H H 8 7.110 7.110 7.439 -0.329 25529
14 1 1 . 1 1 9 9 ALA HA H 9 4.060 4.060 4.075 -0.015 25529
15 1 1 . 1 1 9 9 ALA H H 9 8.430 8.430 8.251 0.179 25529
16 1 1 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.069 -0.019 25529
17 1 1 . 1 1 10 10 LEU H H 10 8.570 8.570 8.126 0.444 25529
18 1 1 . 1 1 11 11 GLY H H 11 7.990 7.990 7.890 0.100 25529
19 1 1 . 1 1 12 12 ALA HA H 12 4.300 4.300 4.053 0.247 25529
20 1 1 . 1 1 12 12 ALA H H 12 7.860 7.860 8.007 -0.147 25529
21 1 1 . 1 1 13 13 LEU HA H 13 4.070 4.070 4.102 -0.032 25529
22 1 1 . 1 1 13 13 LEU H H 13 8.280 8.280 8.036 0.244 25529
23 1 1 . 1 1 14 14 LYS HA H 14 3.860 3.860 3.951 -0.091 25529
24 1 1 . 1 1 14 14 LYS H H 14 8.340 8.340 8.079 0.261 25529
25 1 1 . 1 1 15 15 ASN HA H 15 4.490 4.490 4.618 -0.128 25529
26 1 1 . 1 1 15 15 ASN H H 15 7.720 7.720 8.032 -0.312 25529
27 1 1 . 1 1 16 16 LEU HA H 16 4.190 4.190 4.325 -0.135 25529
28 1 1 . 1 1 16 16 LEU H H 16 7.970 7.970 7.868 0.102 25529
29 1 1 . 1 1 17 17 ILE HA H 17 3.940 3.940 3.945 -0.005 25529
30 1 1 . 1 1 17 17 ILE H H 17 7.840 7.840 7.982 -0.142 25529
31 1 2 . 1 1 2 2 PHE HA H 2 4.620 4.620 4.699 -0.079 25529
32 1 2 . 1 1 2 2 PHE CA C 2 4.620 4.620 59.298 -54.678 25529
33 1 2 . 1 1 2 2 PHE H H 2 8.340 8.340 8.411 -0.071 25529
34 1 2 . 1 1 3 3 GLY H H 3 8.350 8.350 7.961 0.389 25529
35 1 2 . 1 1 4 4 ALA HA H 4 4.380 4.380 4.613 -0.233 25529
36 1 2 . 1 1 4 4 ALA H H 4 8.100 8.100 7.572 0.528 25529
37 1 2 . 1 1 5 5 ILE HA H 5 4.080 4.080 4.206 -0.126 25529
38 1 2 . 1 1 5 5 ILE H H 5 7.920 7.920 7.333 0.587 25529
39 1 2 . 1 1 6 6 LEU HA H 6 4.250 4.250 4.363 -0.113 25529
40 1 2 . 1 1 6 6 LEU H H 6 8.190 8.190 8.334 -0.144 25529
41 1 2 . 1 1 7 7 PRO HA H 7 4.280 4.280 4.268 0.012 25529
42 1 2 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.075 0.115 25529
43 1 2 . 1 1 8 8 LEU H H 8 7.110 7.110 7.706 -0.596 25529
44 1 2 . 1 1 9 9 ALA HA H 9 4.060 4.060 4.086 -0.026 25529
45 1 2 . 1 1 9 9 ALA H H 9 8.430 8.430 7.602 0.828 25529
46 1 2 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.114 -0.064 25529
47 1 2 . 1 1 10 10 LEU H H 10 8.570 8.570 7.827 0.743 25529
48 1 2 . 1 1 11 11 GLY H H 11 7.990 7.990 8.300 -0.310 25529
49 1 2 . 1 1 12 12 ALA HA H 12 4.300 4.300 4.032 0.268 25529
50 1 2 . 1 1 12 12 ALA H H 12 7.860 7.860 8.041 -0.181 25529
51 1 2 . 1 1 13 13 LEU HA H 13 4.070 4.070 4.015 0.055 25529
52 1 2 . 1 1 13 13 LEU H H 13 8.280 8.280 7.743 0.537 25529
53 1 2 . 1 1 14 14 LYS HA H 14 3.860 3.860 4.002 -0.142 25529
54 1 2 . 1 1 14 14 LYS H H 14 8.340 8.340 7.689 0.651 25529
55 1 2 . 1 1 15 15 ASN HA H 15 4.490 4.490 4.624 -0.134 25529
56 1 2 . 1 1 15 15 ASN H H 15 7.720 7.720 7.845 -0.125 25529
57 1 2 . 1 1 16 16 LEU HA H 16 4.190 4.190 4.358 -0.168 25529
58 1 2 . 1 1 16 16 LEU H H 16 7.970 7.970 7.647 0.323 25529
59 1 2 . 1 1 17 17 ILE HA H 17 3.940 3.940 4.037 -0.097 25529
60 1 2 . 1 1 17 17 ILE H H 17 7.840 7.840 7.907 -0.067 25529
61 1 3 . 1 1 2 2 PHE HA H 2 4.620 4.620 4.364 0.256 25529
62 1 3 . 1 1 2 2 PHE CA C 2 4.620 4.620 61.737 -57.117 25529
63 1 3 . 1 1 2 2 PHE H H 2 8.340 8.340 8.429 -0.089 25529
64 1 3 . 1 1 3 3 GLY H H 3 8.350 8.350 8.416 -0.066 25529
65 1 3 . 1 1 4 4 ALA HA H 4 4.380 4.380 4.657 -0.277 25529
66 1 3 . 1 1 4 4 ALA H H 4 8.100 8.100 8.234 -0.134 25529
67 1 3 . 1 1 5 5 ILE HA H 5 4.080 4.080 3.907 0.173 25529
68 1 3 . 1 1 5 5 ILE H H 5 7.920 7.920 7.778 0.142 25529
69 1 3 . 1 1 6 6 LEU HA H 6 4.250 4.250 4.270 -0.020 25529
70 1 3 . 1 1 6 6 LEU H H 6 8.190 8.190 8.410 -0.220 25529
71 1 3 . 1 1 7 7 PRO HA H 7 4.280 4.280 4.149 0.131 25529
72 1 3 . 1 1 8 8 LEU HA H 8 4.190 4.190 3.955 0.235 25529
73 1 3 . 1 1 8 8 LEU H H 8 7.110 7.110 7.596 -0.486 25529
74 1 3 . 1 1 9 9 ALA HA H 9 4.060 4.060 4.120 -0.060 25529
75 1 3 . 1 1 9 9 ALA H H 9 8.430 8.430 7.630 0.800 25529
76 1 3 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.029 0.021 25529
77 1 3 . 1 1 10 10 LEU H H 10 8.570 8.570 8.344 0.226 25529
78 1 3 . 1 1 11 11 GLY H H 11 7.990 7.990 8.137 -0.147 25529
79 1 3 . 1 1 12 12 ALA HA H 12 4.300 4.300 4.071 0.229 25529
80 1 3 . 1 1 12 12 ALA H H 12 7.860 7.860 8.111 -0.251 25529
81 1 3 . 1 1 13 13 LEU HA H 13 4.070 4.070 4.045 0.025 25529
82 1 3 . 1 1 13 13 LEU H H 13 8.280 8.280 8.055 0.225 25529
83 1 3 . 1 1 14 14 LYS HA H 14 3.860 3.860 3.984 -0.124 25529
84 1 3 . 1 1 14 14 LYS H H 14 8.340 8.340 8.159 0.181 25529
85 1 3 . 1 1 15 15 ASN HA H 15 4.490 4.490 4.653 -0.163 25529
86 1 3 . 1 1 15 15 ASN H H 15 7.720 7.720 7.839 -0.119 25529
87 1 3 . 1 1 16 16 LEU HA H 16 4.190 4.190 4.440 -0.250 25529
88 1 3 . 1 1 16 16 LEU H H 16 7.970 7.970 7.989 -0.019 25529
89 1 3 . 1 1 17 17 ILE HA H 17 3.940 3.940 3.972 -0.032 25529
90 1 3 . 1 1 17 17 ILE H H 17 7.840 7.840 7.994 -0.154 25529
91 1 4 . 1 1 2 2 PHE HA H 2 4.620 4.620 4.343 0.277 25529
92 1 4 . 1 1 2 2 PHE CA C 2 4.620 4.620 61.967 -57.347 25529
93 1 4 . 1 1 2 2 PHE H H 2 8.340 8.340 8.164 0.176 25529
94 1 4 . 1 1 3 3 GLY H H 3 8.350 8.350 8.427 -0.076 25529
95 1 4 . 1 1 4 4 ALA HA H 4 4.380 4.380 4.613 -0.233 25529
96 1 4 . 1 1 4 4 ALA H H 4 8.100 8.100 8.304 -0.204 25529
97 1 4 . 1 1 5 5 ILE HA H 5 4.080 4.080 3.945 0.135 25529
98 1 4 . 1 1 5 5 ILE H H 5 7.920 7.920 7.790 0.130 25529
99 1 4 . 1 1 6 6 LEU HA H 6 4.250 4.250 4.112 0.138 25529
100 1 4 . 1 1 6 6 LEU H H 6 8.190 8.190 8.861 -0.671 25529
101 1 4 . 1 1 7 7 PRO HA H 7 4.280 4.280 4.202 0.078 25529
102 1 4 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.105 0.085 25529
103 1 4 . 1 1 8 8 LEU H H 8 7.110 7.110 7.383 -0.273 25529
104 1 4 . 1 1 9 9 ALA HA H 9 4.060 4.060 4.047 0.013 25529
105 1 4 . 1 1 9 9 ALA H H 9 8.430 8.430 7.984 0.446 25529
106 1 4 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.100 -0.050 25529
107 1 4 . 1 1 10 10 LEU H H 10 8.570 8.570 7.997 0.573 25529
108 1 4 . 1 1 11 11 GLY H H 11 7.990 7.990 8.255 -0.265 25529
109 1 4 . 1 1 12 12 ALA HA H 12 4.300 4.300 4.124 0.176 25529
110 1 4 . 1 1 12 12 ALA H H 12 7.860 7.860 7.590 0.270 25529
111 1 4 . 1 1 13 13 LEU HA H 13 4.070 4.070 4.058 0.012 25529
112 1 4 . 1 1 13 13 LEU H H 13 8.280 8.280 7.519 0.761 25529
113 1 4 . 1 1 14 14 LYS HA H 14 3.860 3.860 3.961 -0.101 25529
114 1 4 . 1 1 14 14 LYS H H 14 8.340 8.340 7.894 0.446 25529
115 1 4 . 1 1 15 15 ASN HA H 15 4.490 4.490 4.681 -0.191 25529
116 1 4 . 1 1 15 15 ASN H H 15 7.720 7.720 7.980 -0.260 25529
117 1 4 . 1 1 16 16 LEU HA H 16 4.190 4.190 4.388 -0.198 25529
118 1 4 . 1 1 16 16 LEU H H 16 7.970 7.970 8.040 -0.070 25529
119 1 4 . 1 1 17 17 ILE HA H 17 3.940 3.940 4.056 -0.116 25529
120 1 4 . 1 1 17 17 ILE H H 17 7.840 7.840 7.605 0.235 25529
121 1 5 . 1 1 2 2 PHE HA H 2 4.620 4.620 4.209 0.411 25529
122 1 5 . 1 1 2 2 PHE CA C 2 4.620 4.620 61.984 -57.364 25529
123 1 5 . 1 1 2 2 PHE H H 2 8.340 8.340 8.360 -0.020 25529
124 1 5 . 1 1 3 3 GLY H H 3 8.350 8.350 8.434 -0.084 25529
125 1 5 . 1 1 4 4 ALA HA H 4 4.380 4.380 4.646 -0.266 25529
126 1 5 . 1 1 4 4 ALA H H 4 8.100 8.100 8.344 -0.244 25529
127 1 5 . 1 1 5 5 ILE HA H 5 4.080 4.080 4.012 0.068 25529
128 1 5 . 1 1 5 5 ILE H H 5 7.920 7.920 7.796 0.124 25529
129 1 5 . 1 1 6 6 LEU HA H 6 4.250 4.250 4.152 0.098 25529
130 1 5 . 1 1 6 6 LEU H H 6 8.190 8.190 8.749 -0.559 25529
131 1 5 . 1 1 7 7 PRO HA H 7 4.280 4.280 4.244 0.036 25529
132 1 5 . 1 1 8 8 LEU HA H 8 4.190 4.190 3.972 0.218 25529
133 1 5 . 1 1 8 8 LEU H H 8 7.110 7.110 7.269 -0.159 25529
134 1 5 . 1 1 9 9 ALA HA H 9 4.060 4.060 4.016 0.044 25529
135 1 5 . 1 1 9 9 ALA H H 9 8.430 8.430 7.875 0.554 25529
136 1 5 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.024 0.026 25529
137 1 5 . 1 1 10 10 LEU H H 10 8.570 8.570 8.010 0.560 25529
138 1 5 . 1 1 11 11 GLY H H 11 7.990 7.990 8.254 -0.264 25529
139 1 5 . 1 1 12 12 ALA HA H 12 4.300 4.300 4.021 0.279 25529
140 1 5 . 1 1 12 12 ALA H H 12 7.860 7.860 8.131 -0.271 25529
141 1 5 . 1 1 13 13 LEU HA H 13 4.070 4.070 4.087 -0.017 25529
142 1 5 . 1 1 13 13 LEU H H 13 8.280 8.280 7.470 0.810 25529
143 1 5 . 1 1 14 14 LYS HA H 14 3.860 3.860 3.956 -0.096 25529
144 1 5 . 1 1 14 14 LYS H H 14 8.340 8.340 7.899 0.441 25529
145 1 5 . 1 1 15 15 ASN HA H 15 4.490 4.490 4.616 -0.126 25529
146 1 5 . 1 1 15 15 ASN H H 15 7.720 7.720 8.059 -0.339 25529
147 1 5 . 1 1 16 16 LEU HA H 16 4.190 4.190 4.310 -0.120 25529
148 1 5 . 1 1 16 16 LEU H H 16 7.970 7.970 8.136 -0.166 25529
149 1 5 . 1 1 17 17 ILE HA H 17 3.940 3.940 4.016 -0.076 25529
150 1 5 . 1 1 17 17 ILE H H 17 7.840 7.840 7.402 0.438 25529
151 1 6 . 1 1 2 2 PHE HA H 2 4.620 4.620 4.370 0.250 25529
152 1 6 . 1 1 2 2 PHE CA C 2 4.620 4.620 62.136 -57.516 25529
153 1 6 . 1 1 2 2 PHE H H 2 8.340 8.340 8.569 -0.229 25529
154 1 6 . 1 1 3 3 GLY H H 3 8.350 8.350 8.476 -0.126 25529
155 1 6 . 1 1 4 4 ALA HA H 4 4.380 4.380 4.631 -0.251 25529
156 1 6 . 1 1 4 4 ALA H H 4 8.100 8.100 8.201 -0.101 25529
157 1 6 . 1 1 5 5 ILE HA H 5 4.080 4.080 3.867 0.213 25529
158 1 6 . 1 1 5 5 ILE H H 5 7.920 7.920 7.961 -0.041 25529
159 1 6 . 1 1 6 6 LEU HA H 6 4.250 4.250 4.152 0.098 25529
160 1 6 . 1 1 6 6 LEU H H 6 8.190 8.190 8.519 -0.329 25529
161 1 6 . 1 1 7 7 PRO HA H 7 4.280 4.280 4.185 0.095 25529
162 1 6 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.026 0.164 25529
163 1 6 . 1 1 8 8 LEU H H 8 7.110 7.110 7.333 -0.223 25529
164 1 6 . 1 1 9 9 ALA HA H 9 4.060 4.060 4.023 0.037 25529
165 1 6 . 1 1 9 9 ALA H H 9 8.430 8.430 8.080 0.350 25529
166 1 6 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.271 -0.221 25529
167 1 6 . 1 1 10 10 LEU H H 10 8.570 8.570 7.961 0.609 25529
168 1 6 . 1 1 11 11 GLY H H 11 7.990 7.990 8.469 -0.478 25529
169 1 6 . 1 1 12 12 ALA HA H 12 4.300 4.300 4.048 0.252 25529
170 1 6 . 1 1 12 12 ALA H H 12 7.860 7.860 7.986 -0.126 25529
171 1 6 . 1 1 13 13 LEU HA H 13 4.070 4.070 4.025 0.045 25529
172 1 6 . 1 1 13 13 LEU H H 13 8.280 8.280 7.807 0.473 25529
173 1 6 . 1 1 14 14 LYS HA H 14 3.860 3.860 4.047 -0.187 25529
174 1 6 . 1 1 14 14 LYS H H 14 8.340 8.340 8.039 0.301 25529
175 1 6 . 1 1 15 15 ASN HA H 15 4.490 4.490 4.666 -0.176 25529
176 1 6 . 1 1 15 15 ASN H H 15 7.720 7.720 8.301 -0.581 25529
177 1 6 . 1 1 16 16 LEU HA H 16 4.190 4.190 4.395 -0.205 25529
178 1 6 . 1 1 16 16 LEU H H 16 7.970 7.970 7.549 0.421 25529
179 1 6 . 1 1 17 17 ILE HA H 17 3.940 3.940 4.053 -0.113 25529
180 1 6 . 1 1 17 17 ILE H H 17 7.840 7.840 8.177 -0.337 25529
181 1 7 . 1 1 2 2 PHE HA H 2 4.620 4.620 4.315 0.305 25529
182 1 7 . 1 1 2 2 PHE CA C 2 4.620 4.620 60.609 -55.989 25529
183 1 7 . 1 1 2 2 PHE H H 2 8.340 8.340 6.979 1.361 25529
184 1 7 . 1 1 3 3 GLY H H 3 8.350 8.350 8.327 0.023 25529
185 1 7 . 1 1 4 4 ALA HA H 4 4.380 4.380 4.626 -0.246 25529
186 1 7 . 1 1 4 4 ALA H H 4 8.100 8.100 8.143 -0.043 25529
187 1 7 . 1 1 5 5 ILE HA H 5 4.080 4.080 3.837 0.243 25529
188 1 7 . 1 1 5 5 ILE H H 5 7.920 7.920 7.628 0.291 25529
189 1 7 . 1 1 6 6 LEU HA H 6 4.250 4.250 4.267 -0.017 25529
190 1 7 . 1 1 6 6 LEU H H 6 8.190 8.190 8.376 -0.186 25529
191 1 7 . 1 1 7 7 PRO HA H 7 4.280 4.280 4.224 0.056 25529
192 1 7 . 1 1 8 8 LEU HA H 8 4.190 4.190 3.980 0.210 25529
193 1 7 . 1 1 8 8 LEU H H 8 7.110 7.110 7.704 -0.594 25529
194 1 7 . 1 1 9 9 ALA HA H 9 4.060 4.060 4.046 0.014 25529
195 1 7 . 1 1 9 9 ALA H H 9 8.430 8.430 7.659 0.771 25529
196 1 7 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.032 0.018 25529
197 1 7 . 1 1 10 10 LEU H H 10 8.570 8.570 8.176 0.394 25529
198 1 7 . 1 1 11 11 GLY H H 11 7.990 7.990 8.084 -0.094 25529
199 1 7 . 1 1 12 12 ALA HA H 12 4.300 4.300 4.058 0.242 25529
200 1 7 . 1 1 12 12 ALA H H 12 7.860 7.860 7.947 -0.087 25529
201 1 7 . 1 1 13 13 LEU HA H 13 4.070 4.070 4.052 0.018 25529
202 1 7 . 1 1 13 13 LEU H H 13 8.280 8.280 8.222 0.058 25529
203 1 7 . 1 1 14 14 LYS HA H 14 3.860 3.860 3.970 -0.110 25529
204 1 7 . 1 1 14 14 LYS H H 14 8.340 8.340 7.809 0.531 25529
205 1 7 . 1 1 15 15 ASN HA H 15 4.490 4.490 4.695 -0.205 25529
206 1 7 . 1 1 15 15 ASN H H 15 7.720 7.720 7.970 -0.250 25529
207 1 7 . 1 1 16 16 LEU HA H 16 4.190 4.190 4.367 -0.177 25529
208 1 7 . 1 1 16 16 LEU H H 16 7.970 7.970 7.995 -0.025 25529
209 1 7 . 1 1 17 17 ILE HA H 17 3.940 3.940 4.134 -0.194 25529
210 1 7 . 1 1 17 17 ILE H H 17 7.840 7.840 7.695 0.145 25529
211 1 8 . 1 1 2 2 PHE HA H 2 4.620 4.620 4.393 0.227 25529
212 1 8 . 1 1 2 2 PHE CA C 2 4.620 4.620 60.161 -55.541 25529
213 1 8 . 1 1 2 2 PHE H H 2 8.340 8.340 7.219 1.121 25529
214 1 8 . 1 1 3 3 GLY H H 3 8.350 8.350 8.286 0.064 25529
215 1 8 . 1 1 4 4 ALA HA H 4 4.380 4.380 4.637 -0.257 25529
216 1 8 . 1 1 4 4 ALA H H 4 8.100 8.100 8.137 -0.037 25529
217 1 8 . 1 1 5 5 ILE HA H 5 4.080 4.080 4.013 0.067 25529
218 1 8 . 1 1 5 5 ILE H H 5 7.920 7.920 7.474 0.446 25529
219 1 8 . 1 1 6 6 LEU HA H 6 4.250 4.250 4.387 -0.137 25529
220 1 8 . 1 1 6 6 LEU H H 6 8.190 8.190 8.369 -0.179 25529
221 1 8 . 1 1 7 7 PRO HA H 7 4.280 4.280 4.341 -0.061 25529
222 1 8 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.146 0.044 25529
223 1 8 . 1 1 8 8 LEU H H 8 7.110 7.110 7.559 -0.449 25529
224 1 8 . 1 1 9 9 ALA HA H 9 4.060 4.060 4.233 -0.173 25529
225 1 8 . 1 1 9 9 ALA H H 9 8.430 8.430 7.418 1.012 25529
226 1 8 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.019 0.031 25529
227 1 8 . 1 1 10 10 LEU H H 10 8.570 8.570 8.500 0.070 25529
228 1 8 . 1 1 11 11 GLY H H 11 7.990 7.990 8.021 -0.031 25529
229 1 8 . 1 1 12 12 ALA HA H 12 4.300 4.300 4.122 0.178 25529
230 1 8 . 1 1 12 12 ALA H H 12 7.860 7.860 7.380 0.480 25529
231 1 8 . 1 1 13 13 LEU HA H 13 4.070 4.070 4.003 0.067 25529
232 1 8 . 1 1 13 13 LEU H H 13 8.280 8.280 8.152 0.128 25529
233 1 8 . 1 1 14 14 LYS HA H 14 3.860 3.860 4.082 -0.222 25529
234 1 8 . 1 1 14 14 LYS H H 14 8.340 8.340 8.053 0.287 25529
235 1 8 . 1 1 15 15 ASN HA H 15 4.490 4.490 4.648 -0.158 25529
236 1 8 . 1 1 15 15 ASN H H 15 7.720 7.720 7.965 -0.245 25529
237 1 8 . 1 1 16 16 LEU HA H 16 4.190 4.190 4.451 -0.261 25529
238 1 8 . 1 1 16 16 LEU H H 16 7.970 7.970 7.727 0.243 25529
239 1 8 . 1 1 17 17 ILE HA H 17 3.940 3.940 3.956 -0.016 25529
240 1 8 . 1 1 17 17 ILE H H 17 7.840 7.840 8.328 -0.488 25529
241 1 9 . 1 1 2 2 PHE HA H 2 4.620 4.620 4.586 0.034 25529
242 1 9 . 1 1 2 2 PHE CA C 2 4.620 4.620 59.420 -54.800 25529
243 1 9 . 1 1 2 2 PHE H H 2 8.340 8.340 7.268 1.072 25529
244 1 9 . 1 1 3 3 GLY H H 3 8.350 8.350 8.346 0.004 25529
245 1 9 . 1 1 4 4 ALA HA H 4 4.380 4.380 4.613 -0.233 25529
246 1 9 . 1 1 4 4 ALA H H 4 8.100 8.100 7.853 0.247 25529
247 1 9 . 1 1 5 5 ILE HA H 5 4.080 4.080 3.793 0.287 25529
248 1 9 . 1 1 5 5 ILE H H 5 7.920 7.920 7.753 0.167 25529
249 1 9 . 1 1 6 6 LEU HA H 6 4.250 4.250 4.385 -0.135 25529
250 1 9 . 1 1 6 6 LEU H H 6 8.190 8.190 7.433 0.757 25529
251 1 9 . 1 1 7 7 PRO HA H 7 4.280 4.280 4.190 0.090 25529
252 1 9 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.015 0.175 25529
253 1 9 . 1 1 8 8 LEU H H 8 7.110 7.110 7.797 -0.687 25529
254 1 9 . 1 1 9 9 ALA HA H 9 4.060 4.060 4.038 0.022 25529
255 1 9 . 1 1 9 9 ALA H H 9 8.430 8.430 7.429 1.001 25529
256 1 9 . 1 1 10 10 LEU HA H 10 4.050 4.050 3.974 0.076 25529
257 1 9 . 1 1 10 10 LEU H H 10 8.570 8.570 8.059 0.511 25529
258 1 9 . 1 1 11 11 GLY H H 11 7.990 7.990 7.764 0.226 25529
259 1 9 . 1 1 12 12 ALA HA H 12 4.300 4.300 4.025 0.275 25529
260 1 9 . 1 1 12 12 ALA H H 12 7.860 7.860 7.874 -0.014 25529
261 1 9 . 1 1 13 13 LEU HA H 13 4.070 4.070 4.018 0.052 25529
262 1 9 . 1 1 13 13 LEU H H 13 8.280 8.280 7.870 0.410 25529
263 1 9 . 1 1 14 14 LYS HA H 14 3.860 3.860 3.923 -0.063 25529
264 1 9 . 1 1 14 14 LYS H H 14 8.340 8.340 7.854 0.486 25529
265 1 9 . 1 1 15 15 ASN HA H 15 4.490 4.490 4.589 -0.099 25529
266 1 9 . 1 1 15 15 ASN H H 15 7.720 7.720 8.042 -0.322 25529
267 1 9 . 1 1 16 16 LEU HA H 16 4.190 4.190 4.454 -0.264 25529
268 1 9 . 1 1 16 16 LEU H H 16 7.970 7.970 7.827 0.143 25529
269 1 9 . 1 1 17 17 ILE HA H 17 3.940 3.940 3.918 0.022 25529
270 1 9 . 1 1 17 17 ILE H H 17 7.840 7.840 7.886 -0.046 25529
271 1 10 . 1 1 2 2 PHE HA H 2 4.620 4.620 4.303 0.317 25529
272 1 10 . 1 1 2 2 PHE CA C 2 4.620 4.620 60.938 -56.318 25529
273 1 10 . 1 1 2 2 PHE H H 2 8.340 8.340 7.333 1.007 25529
274 1 10 . 1 1 3 3 GLY H H 3 8.350 8.350 8.340 0.010 25529
275 1 10 . 1 1 4 4 ALA HA H 4 4.380 4.380 4.618 -0.238 25529
276 1 10 . 1 1 4 4 ALA H H 4 8.100 8.100 8.270 -0.170 25529
277 1 10 . 1 1 5 5 ILE HA H 5 4.080 4.080 4.051 0.029 25529
278 1 10 . 1 1 5 5 ILE H H 5 7.920 7.920 7.640 0.280 25529
279 1 10 . 1 1 6 6 LEU HA H 6 4.250 4.250 4.169 0.081 25529
280 1 10 . 1 1 6 6 LEU H H 6 8.190 8.190 8.958 -0.768 25529
281 1 10 . 1 1 7 7 PRO HA H 7 4.280 4.280 4.252 0.028 25529
282 1 10 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.014 0.176 25529
283 1 10 . 1 1 8 8 LEU H H 8 7.110 7.110 7.321 -0.211 25529
284 1 10 . 1 1 9 9 ALA HA H 9 4.060 4.060 3.992 0.068 25529
285 1 10 . 1 1 9 9 ALA H H 9 8.430 8.430 8.185 0.245 25529
286 1 10 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.060 -0.010 25529
287 1 10 . 1 1 10 10 LEU H H 10 8.570 8.570 7.865 0.705 25529
288 1 10 . 1 1 11 11 GLY H H 11 7.990 7.990 8.334 -0.344 25529
289 1 10 . 1 1 12 12 ALA HA H 12 4.300 4.300 4.022 0.278 25529
290 1 10 . 1 1 12 12 ALA H H 12 7.860 7.860 7.892 -0.032 25529
291 1 10 . 1 1 13 13 LEU HA H 13 4.070 4.070 4.040 0.030 25529
292 1 10 . 1 1 13 13 LEU H H 13 8.280 8.280 8.178 0.102 25529
293 1 10 . 1 1 14 14 LYS HA H 14 3.860 3.860 4.070 -0.210 25529
294 1 10 . 1 1 14 14 LYS H H 14 8.340 8.340 8.234 0.106 25529
295 1 10 . 1 1 15 15 ASN HA H 15 4.490 4.490 4.631 -0.141 25529
296 1 10 . 1 1 15 15 ASN H H 15 7.720 7.720 7.879 -0.159 25529
297 1 10 . 1 1 16 16 LEU HA H 16 4.190 4.190 4.405 -0.215 25529
298 1 10 . 1 1 16 16 LEU H H 16 7.970 7.970 7.511 0.459 25529
299 1 10 . 1 1 17 17 ILE HA H 17 3.940 3.940 3.907 0.033 25529
300 1 10 . 1 1 17 17 ILE H H 17 7.840 7.840 7.790 0.050 25529
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 25529
2 1 1 "Average Difference" HA 18 0.147 -0.042 0.146 25529
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25529
4 1 1 "Average Difference" CA 1 57.088 57.088 0.000 25529
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25529
6 1 1 "Average Difference" HN 15 0.331 -0.014 0.342 25529
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25529
8 1 2 "Average Difference" HA 18 0.253 -0.055 0.254 25529
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25529
10 1 2 "Average Difference" CA 1 54.678 54.678 0.000 25529
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25529
12 1 2 "Average Difference" HN 15 0.473 -0.206 0.441 25529
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25529
14 1 3 "Average Difference" HA 18 0.166 -0.037 0.166 25529
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25529
16 1 3 "Average Difference" CA 1 57.117 57.117 0.000 25529
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25529
18 1 3 "Average Difference" HN 15 0.287 0.007 0.297 25529
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25529
20 1 4 "Average Difference" HA 18 0.161 -0.041 0.160 25529
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25529
22 1 4 "Average Difference" CA 1 57.347 57.347 0.000 25529
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25529
24 1 4 "Average Difference" HN 15 0.383 -0.081 0.387 25529
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25529
26 1 5 "Average Difference" HA 18 0.194 -0.077 0.184 25529
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25529
28 1 5 "Average Difference" CA 1 57.364 57.364 0.000 25529
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25529
30 1 5 "Average Difference" HN 15 0.397 -0.055 0.407 25529
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25529
32 1 6 "Average Difference" HA 18 0.167 -0.020 0.171 25529
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25529
34 1 6 "Average Difference" CA 1 57.516 57.516 0.000 25529
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25529
36 1 6 "Average Difference" HN 15 0.358 0.028 0.369 25529
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25529
38 1 7 "Average Difference" HA 18 0.178 -0.044 0.177 25529
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25529
40 1 7 "Average Difference" CA 1 55.989 55.989 0.000 25529
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25529
42 1 7 "Average Difference" HN 15 0.481 -0.153 0.471 25529
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25529
44 1 8 "Average Difference" HA 18 0.172 -0.005 0.177 25529
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25529
46 1 8 "Average Difference" CA 1 55.541 55.541 0.000 25529
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25529
48 1 8 "Average Difference" HN 15 0.477 -0.161 0.464 25529
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25529
50 1 9 "Average Difference" HA 18 0.157 -0.039 0.156 25529
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25529
52 1 9 "Average Difference" CA 1 54.800 54.800 0.000 25529
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25529
54 1 9 "Average Difference" HN 15 0.525 -0.264 0.469 25529
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25529
56 1 10 "Average Difference" HA 18 0.163 -0.041 0.162 25529
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25529
58 1 10 "Average Difference" CA 1 56.318 56.318 0.000 25529
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25529
60 1 10 "Average Difference" HN 15 0.424 -0.085 0.430 25529
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 25529
_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 PHE HA H 2 4.620 4.620 4.391 0.229 25529
2 1 . 1 1 2 2 PHE CA C 2 4.620 4.620 60.996 -56.376 25529
3 1 . 1 1 2 2 PHE H H 2 8.340 8.340 7.825 0.515 25529
4 1 . 1 1 3 3 GLY H H 3 8.350 8.350 8.344 0.006 25529
5 1 . 1 1 4 4 ALA HA H 4 4.380 4.380 4.630 -0.249 25529
6 1 . 1 1 4 4 ALA H H 4 8.100 8.100 8.132 -0.032 25529
7 1 . 1 1 5 5 ILE HA H 5 4.080 4.080 3.960 0.120 25529
8 1 . 1 1 5 5 ILE H H 5 7.920 7.920 7.736 0.184 25529
9 1 . 1 1 6 6 LEU HA H 6 4.250 4.250 4.243 0.007 25529
10 1 . 1 1 6 6 LEU H H 6 8.190 8.190 8.468 -0.278 25529
11 1 . 1 1 7 7 PRO HA H 7 4.280 4.280 4.230 0.050 25529
12 1 . 1 1 8 8 LEU HA H 8 4.190 4.190 4.028 0.162 25529
13 1 . 1 1 8 8 LEU H H 8 7.110 7.110 7.511 -0.401 25529
14 1 . 1 1 9 9 ALA HA H 9 4.060 4.060 4.068 -0.008 25529
15 1 . 1 1 9 9 ALA H H 9 8.430 8.430 7.811 0.619 25529
16 1 . 1 1 10 10 LEU HA H 10 4.050 4.050 4.069 -0.019 25529
17 1 . 1 1 10 10 LEU H H 10 8.570 8.570 8.086 0.483 25529
18 1 . 1 1 11 11 GLY H H 11 7.990 7.990 8.151 -0.161 25529
19 1 . 1 1 12 12 ALA HA H 12 4.300 4.300 4.058 0.242 25529
20 1 . 1 1 12 12 ALA H H 12 7.860 7.860 7.896 -0.036 25529
21 1 . 1 1 13 13 LEU HA H 13 4.070 4.070 4.045 0.026 25529
22 1 . 1 1 13 13 LEU H H 13 8.280 8.280 7.905 0.375 25529
23 1 . 1 1 14 14 LYS HA H 14 3.860 3.860 3.995 -0.135 25529
24 1 . 1 1 14 14 LYS H H 14 8.340 8.340 7.971 0.369 25529
25 1 . 1 1 15 15 ASN HA H 15 4.490 4.490 4.642 -0.152 25529
26 1 . 1 1 15 15 ASN H H 15 7.720 7.720 7.991 -0.271 25529
27 1 . 1 1 16 16 LEU HA H 16 4.190 4.190 4.389 -0.199 25529
28 1 . 1 1 16 16 LEU H H 16 7.970 7.970 7.829 0.141 25529
29 1 . 1 1 17 17 ILE HA H 17 3.940 3.940 3.999 -0.059 25529
30 1 . 1 1 17 17 ILE H H 17 7.840 7.840 7.877 -0.037 25529
stop_
save_