data_25101
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25101
_Entry.PDB_ID 2MS1
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 25101
_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 THR HA H 2 4.333 4.333 5.014 -0.681 25101
2 1 1 . 1 1 3 3 VAL HA H 3 3.892 3.892 4.776 -0.884 25101
3 1 1 . 1 1 4 4 VAL HA H 4 3.933 3.933 4.580 -0.647 25101
4 1 1 . 1 1 5 5 SER HA H 5 4.220 4.220 4.550 -0.330 25101
5 1 1 . 1 1 7 7 GLN HA H 7 4.145 4.145 4.203 -0.058 25101
6 1 1 . 1 1 8 8 LYS HA H 8 3.158 3.158 4.510 -1.352 25101
7 1 1 . 1 1 18 18 ARG HA H 18 4.041 4.041 4.347 -0.306 25101
8 1 1 . 1 1 19 19 SER HA H 19 4.195 4.195 4.157 0.038 25101
9 1 1 . 1 1 21 21 LEU HA H 21 4.205 4.205 4.538 -0.333 25101
10 1 1 . 1 1 22 22 ASP HA H 22 4.398 4.398 4.766 -0.368 25101
11 1 1 . 1 1 23 23 ARG HA H 23 4.114 4.114 4.135 -0.021 25101
12 1 1 . 1 1 26 26 CYS HA H 26 4.279 4.279 4.715 -0.436 25101
13 1 1 . 1 1 27 27 ALA HA H 27 3.722 3.722 4.169 -0.447 25101
14 1 1 . 1 1 28 28 TYR HA H 28 4.265 4.265 4.675 -0.410 25101
15 1 1 . 1 1 29 29 CYS HA H 29 4.150 4.150 4.668 -0.518 25101
16 1 1 . 1 1 30 30 LYS HA H 30 4.167 4.167 4.055 0.112 25101
17 1 1 . 1 1 31 31 GLU HA H 31 4.229 4.229 4.363 -0.134 25101
18 1 1 . 1 1 34 34 HIS HA H 34 3.597 3.597 4.884 -1.287 25101
19 1 1 . 1 1 35 35 TRP HA H 35 5.049 5.049 5.009 0.040 25101
20 1 1 . 1 1 37 37 LYS HA H 37 3.987 3.987 4.096 -0.109 25101
21 1 1 . 1 1 38 38 ASP HA H 38 4.785 4.785 4.773 0.012 25101
22 1 1 . 1 1 42 42 LYS HA H 42 3.711 3.711 4.384 -0.673 25101
23 1 1 . 1 1 46 46 PRO HA H 46 4.333 4.333 4.312 0.021 25101
24 1 1 . 1 1 54 54 SER HA H 54 4.257 4.257 4.776 -0.519 25101
25 1 2 . 1 1 2 2 THR HA H 2 4.333 4.333 4.926 -0.593 25101
26 1 2 . 1 1 3 3 VAL HA H 3 3.892 3.892 4.478 -0.586 25101
27 1 2 . 1 1 4 4 VAL HA H 4 3.933 3.933 4.617 -0.684 25101
28 1 2 . 1 1 5 5 SER HA H 5 4.220 4.220 4.790 -0.570 25101
29 1 2 . 1 1 7 7 GLN HA H 7 4.145 4.145 4.182 -0.037 25101
30 1 2 . 1 1 8 8 LYS HA H 8 3.158 3.158 4.436 -1.278 25101
31 1 2 . 1 1 18 18 ARG HA H 18 4.041 4.041 4.191 -0.150 25101
32 1 2 . 1 1 19 19 SER HA H 19 4.195 4.195 4.414 -0.219 25101
33 1 2 . 1 1 21 21 LEU HA H 21 4.205 4.205 4.643 -0.438 25101
34 1 2 . 1 1 22 22 ASP HA H 22 4.398 4.398 4.738 -0.340 25101
35 1 2 . 1 1 23 23 ARG HA H 23 4.114 4.114 4.118 -0.004 25101
36 1 2 . 1 1 26 26 CYS HA H 26 4.279 4.279 4.538 -0.259 25101
37 1 2 . 1 1 27 27 ALA HA H 27 3.722 3.722 4.051 -0.329 25101
38 1 2 . 1 1 28 28 TYR HA H 28 4.265 4.265 4.486 -0.221 25101
39 1 2 . 1 1 29 29 CYS HA H 29 4.150 4.150 4.447 -0.297 25101
40 1 2 . 1 1 30 30 LYS HA H 30 4.167 4.167 4.103 0.064 25101
41 1 2 . 1 1 31 31 GLU HA H 31 4.229 4.229 4.309 -0.080 25101
42 1 2 . 1 1 34 34 HIS HA H 34 3.597 3.597 4.807 -1.210 25101
43 1 2 . 1 1 35 35 TRP HA H 35 5.049 5.049 4.994 0.055 25101
44 1 2 . 1 1 37 37 LYS HA H 37 3.987 3.987 4.142 -0.155 25101
45 1 2 . 1 1 38 38 ASP HA H 38 4.785 4.785 4.821 -0.036 25101
46 1 2 . 1 1 42 42 LYS HA H 42 3.711 3.711 4.775 -1.064 25101
47 1 2 . 1 1 46 46 PRO HA H 46 4.333 4.333 4.436 -0.103 25101
48 1 2 . 1 1 54 54 SER HA H 54 4.257 4.257 4.649 -0.392 25101
49 1 3 . 1 1 2 2 THR HA H 2 4.333 4.333 4.550 -0.217 25101
50 1 3 . 1 1 3 3 VAL HA H 3 3.892 3.892 4.256 -0.364 25101
51 1 3 . 1 1 4 4 VAL HA H 4 3.933 3.933 3.779 0.154 25101
52 1 3 . 1 1 5 5 SER HA H 5 4.220 4.220 4.452 -0.232 25101
53 1 3 . 1 1 7 7 GLN HA H 7 4.145 4.145 4.604 -0.459 25101
54 1 3 . 1 1 8 8 LYS HA H 8 3.158 3.158 4.454 -1.296 25101
55 1 3 . 1 1 18 18 ARG HA H 18 4.041 4.041 4.557 -0.516 25101
56 1 3 . 1 1 19 19 SER HA H 19 4.195 4.195 4.606 -0.411 25101
57 1 3 . 1 1 21 21 LEU HA H 21 4.205 4.205 4.573 -0.368 25101
58 1 3 . 1 1 22 22 ASP HA H 22 4.398 4.398 4.710 -0.312 25101
59 1 3 . 1 1 23 23 ARG HA H 23 4.114 4.114 4.081 0.033 25101
60 1 3 . 1 1 26 26 CYS HA H 26 4.279 4.279 4.443 -0.164 25101
61 1 3 . 1 1 27 27 ALA HA H 27 3.722 3.722 4.063 -0.341 25101
62 1 3 . 1 1 28 28 TYR HA H 28 4.265 4.265 4.525 -0.260 25101
63 1 3 . 1 1 29 29 CYS HA H 29 4.150 4.150 4.727 -0.577 25101
64 1 3 . 1 1 30 30 LYS HA H 30 4.167 4.167 3.953 0.214 25101
65 1 3 . 1 1 31 31 GLU HA H 31 4.229 4.229 4.118 0.111 25101
66 1 3 . 1 1 34 34 HIS HA H 34 3.597 3.597 4.825 -1.228 25101
67 1 3 . 1 1 35 35 TRP HA H 35 5.049 5.049 4.915 0.134 25101
68 1 3 . 1 1 37 37 LYS HA H 37 3.987 3.987 4.132 -0.145 25101
69 1 3 . 1 1 38 38 ASP HA H 38 4.785 4.785 4.840 -0.055 25101
70 1 3 . 1 1 42 42 LYS HA H 42 3.711 3.711 4.626 -0.915 25101
71 1 3 . 1 1 46 46 PRO HA H 46 4.333 4.333 4.680 -0.347 25101
72 1 3 . 1 1 54 54 SER HA H 54 4.257 4.257 4.786 -0.529 25101
73 1 4 . 1 1 2 2 THR HA H 2 4.333 4.333 4.584 -0.251 25101
74 1 4 . 1 1 3 3 VAL HA H 3 3.892 3.892 3.660 0.232 25101
75 1 4 . 1 1 4 4 VAL HA H 4 3.933 3.933 3.737 0.196 25101
76 1 4 . 1 1 5 5 SER HA H 5 4.220 4.220 4.299 -0.079 25101
77 1 4 . 1 1 7 7 GLN HA H 7 4.145 4.145 4.641 -0.496 25101
78 1 4 . 1 1 8 8 LYS HA H 8 3.158 3.158 4.565 -1.407 25101
79 1 4 . 1 1 18 18 ARG HA H 18 4.041 4.041 4.109 -0.068 25101
80 1 4 . 1 1 19 19 SER HA H 19 4.195 4.195 4.142 0.053 25101
81 1 4 . 1 1 21 21 LEU HA H 21 4.205 4.205 4.531 -0.326 25101
82 1 4 . 1 1 22 22 ASP HA H 22 4.398 4.398 4.802 -0.404 25101
83 1 4 . 1 1 23 23 ARG HA H 23 4.114 4.114 4.422 -0.308 25101
84 1 4 . 1 1 26 26 CYS HA H 26 4.279 4.279 4.630 -0.351 25101
85 1 4 . 1 1 27 27 ALA HA H 27 3.722 3.722 4.054 -0.332 25101
86 1 4 . 1 1 28 28 TYR HA H 28 4.265 4.265 4.568 -0.303 25101
87 1 4 . 1 1 29 29 CYS HA H 29 4.150 4.150 4.783 -0.633 25101
88 1 4 . 1 1 30 30 LYS HA H 30 4.167 4.167 4.106 0.061 25101
89 1 4 . 1 1 31 31 GLU HA H 31 4.229 4.229 4.250 -0.021 25101
90 1 4 . 1 1 34 34 HIS HA H 34 3.597 3.597 5.003 -1.406 25101
91 1 4 . 1 1 35 35 TRP HA H 35 5.049 5.049 5.028 0.021 25101
92 1 4 . 1 1 37 37 LYS HA H 37 3.987 3.987 4.174 -0.187 25101
93 1 4 . 1 1 38 38 ASP HA H 38 4.785 4.785 4.816 -0.031 25101
94 1 4 . 1 1 42 42 LYS HA H 42 3.711 3.711 4.366 -0.655 25101
95 1 4 . 1 1 46 46 PRO HA H 46 4.333 4.333 4.446 -0.113 25101
96 1 4 . 1 1 54 54 SER HA H 54 4.257 4.257 4.664 -0.407 25101
97 1 5 . 1 1 2 2 THR HA H 2 4.333 4.333 4.788 -0.455 25101
98 1 5 . 1 1 3 3 VAL HA H 3 3.892 3.892 4.885 -0.993 25101
99 1 5 . 1 1 4 4 VAL HA H 4 3.933 3.933 4.894 -0.961 25101
100 1 5 . 1 1 5 5 SER HA H 5 4.220 4.220 5.212 -0.992 25101
101 1 5 . 1 1 7 7 GLN HA H 7 4.145 4.145 4.554 -0.409 25101
102 1 5 . 1 1 8 8 LYS HA H 8 3.158 3.158 4.660 -1.502 25101
103 1 5 . 1 1 18 18 ARG HA H 18 4.041 4.041 4.398 -0.357 25101
104 1 5 . 1 1 19 19 SER HA H 19 4.195 4.195 4.250 -0.055 25101
105 1 5 . 1 1 21 21 LEU HA H 21 4.205 4.205 4.529 -0.324 25101
106 1 5 . 1 1 22 22 ASP HA H 22 4.398 4.398 4.777 -0.379 25101
107 1 5 . 1 1 23 23 ARG HA H 23 4.114 4.114 4.099 0.015 25101
108 1 5 . 1 1 26 26 CYS HA H 26 4.279 4.279 4.467 -0.188 25101
109 1 5 . 1 1 27 27 ALA HA H 27 3.722 3.722 4.029 -0.307 25101
110 1 5 . 1 1 28 28 TYR HA H 28 4.265 4.265 4.466 -0.201 25101
111 1 5 . 1 1 29 29 CYS HA H 29 4.150 4.150 4.604 -0.454 25101
112 1 5 . 1 1 30 30 LYS HA H 30 4.167 4.167 4.011 0.156 25101
113 1 5 . 1 1 31 31 GLU HA H 31 4.229 4.229 4.215 0.014 25101
114 1 5 . 1 1 34 34 HIS HA H 34 3.597 3.597 4.793 -1.196 25101
115 1 5 . 1 1 35 35 TRP HA H 35 5.049 5.049 4.968 0.081 25101
116 1 5 . 1 1 37 37 LYS HA H 37 3.987 3.987 4.050 -0.063 25101
117 1 5 . 1 1 38 38 ASP HA H 38 4.785 4.785 4.841 -0.056 25101
118 1 5 . 1 1 42 42 LYS HA H 42 3.711 3.711 4.345 -0.634 25101
119 1 5 . 1 1 46 46 PRO HA H 46 4.333 4.333 4.423 -0.090 25101
120 1 5 . 1 1 54 54 SER HA H 54 4.257 4.257 4.822 -0.565 25101
121 1 6 . 1 1 2 2 THR HA H 2 4.333 4.333 5.093 -0.760 25101
122 1 6 . 1 1 3 3 VAL HA H 3 3.892 3.892 5.040 -1.148 25101
123 1 6 . 1 1 4 4 VAL HA H 4 3.933 3.933 4.813 -0.880 25101
124 1 6 . 1 1 5 5 SER HA H 5 4.220 4.220 5.358 -1.138 25101
125 1 6 . 1 1 7 7 GLN HA H 7 4.145 4.145 4.552 -0.407 25101
126 1 6 . 1 1 8 8 LYS HA H 8 3.158 3.158 4.805 -1.647 25101
127 1 6 . 1 1 18 18 ARG HA H 18 4.041 4.041 4.069 -0.028 25101
128 1 6 . 1 1 19 19 SER HA H 19 4.195 4.195 4.515 -0.320 25101
129 1 6 . 1 1 21 21 LEU HA H 21 4.205 4.205 4.097 0.108 25101
130 1 6 . 1 1 22 22 ASP HA H 22 4.398 4.398 4.551 -0.153 25101
131 1 6 . 1 1 23 23 ARG HA H 23 4.114 4.114 4.100 0.014 25101
132 1 6 . 1 1 26 26 CYS HA H 26 4.279 4.279 4.570 -0.291 25101
133 1 6 . 1 1 27 27 ALA HA H 27 3.722 3.722 4.130 -0.408 25101
134 1 6 . 1 1 28 28 TYR HA H 28 4.265 4.265 4.459 -0.194 25101
135 1 6 . 1 1 29 29 CYS HA H 29 4.150 4.150 4.539 -0.389 25101
136 1 6 . 1 1 30 30 LYS HA H 30 4.167 4.167 4.060 0.107 25101
137 1 6 . 1 1 31 31 GLU HA H 31 4.229 4.229 4.213 0.016 25101
138 1 6 . 1 1 34 34 HIS HA H 34 3.597 3.597 4.808 -1.211 25101
139 1 6 . 1 1 35 35 TRP HA H 35 5.049 5.049 4.991 0.058 25101
140 1 6 . 1 1 37 37 LYS HA H 37 3.987 3.987 4.112 -0.125 25101
141 1 6 . 1 1 38 38 ASP HA H 38 4.785 4.785 4.849 -0.064 25101
142 1 6 . 1 1 42 42 LYS HA H 42 3.711 3.711 4.383 -0.672 25101
143 1 6 . 1 1 46 46 PRO HA H 46 4.333 4.333 4.181 0.152 25101
144 1 6 . 1 1 54 54 SER HA H 54 4.257 4.257 4.190 0.067 25101
145 1 7 . 1 1 2 2 THR HA H 2 4.333 4.333 4.570 -0.237 25101
146 1 7 . 1 1 3 3 VAL HA H 3 3.892 3.892 4.208 -0.316 25101
147 1 7 . 1 1 4 4 VAL HA H 4 3.933 3.933 3.706 0.227 25101
148 1 7 . 1 1 5 5 SER HA H 5 4.220 4.220 4.338 -0.118 25101
149 1 7 . 1 1 7 7 GLN HA H 7 4.145 4.145 4.539 -0.394 25101
150 1 7 . 1 1 8 8 LYS HA H 8 3.158 3.158 4.533 -1.375 25101
151 1 7 . 1 1 18 18 ARG HA H 18 4.041 4.041 4.331 -0.290 25101
152 1 7 . 1 1 19 19 SER HA H 19 4.195 4.195 4.205 -0.010 25101
153 1 7 . 1 1 21 21 LEU HA H 21 4.205 4.205 4.848 -0.643 25101
154 1 7 . 1 1 22 22 ASP HA H 22 4.398 4.398 4.753 -0.355 25101
155 1 7 . 1 1 23 23 ARG HA H 23 4.114 4.114 4.268 -0.154 25101
156 1 7 . 1 1 26 26 CYS HA H 26 4.279 4.279 4.649 -0.370 25101
157 1 7 . 1 1 27 27 ALA HA H 27 3.722 3.722 3.964 -0.242 25101
158 1 7 . 1 1 28 28 TYR HA H 28 4.265 4.265 4.412 -0.147 25101
159 1 7 . 1 1 29 29 CYS HA H 29 4.150 4.150 4.609 -0.459 25101
160 1 7 . 1 1 30 30 LYS HA H 30 4.167 4.167 4.031 0.136 25101
161 1 7 . 1 1 31 31 GLU HA H 31 4.229 4.229 4.235 -0.006 25101
162 1 7 . 1 1 34 34 HIS HA H 34 3.597 3.597 4.768 -1.171 25101
163 1 7 . 1 1 35 35 TRP HA H 35 5.049 5.049 4.974 0.075 25101
164 1 7 . 1 1 37 37 LYS HA H 37 3.987 3.987 4.133 -0.146 25101
165 1 7 . 1 1 38 38 ASP HA H 38 4.785 4.785 4.807 -0.022 25101
166 1 7 . 1 1 42 42 LYS HA H 42 3.711 3.711 4.860 -1.149 25101
167 1 7 . 1 1 46 46 PRO HA H 46 4.333 4.333 4.387 -0.054 25101
168 1 7 . 1 1 54 54 SER HA H 54 4.257 4.257 4.791 -0.534 25101
169 1 8 . 1 1 2 2 THR HA H 2 4.333 4.333 4.451 -0.118 25101
170 1 8 . 1 1 3 3 VAL HA H 3 3.892 3.892 3.696 0.196 25101
171 1 8 . 1 1 4 4 VAL HA H 4 3.933 3.933 4.249 -0.316 25101
172 1 8 . 1 1 5 5 SER HA H 5 4.220 4.220 4.836 -0.616 25101
173 1 8 . 1 1 7 7 GLN HA H 7 4.145 4.145 4.486 -0.341 25101
174 1 8 . 1 1 8 8 LYS HA H 8 3.158 3.158 4.902 -1.744 25101
175 1 8 . 1 1 18 18 ARG HA H 18 4.041 4.041 4.202 -0.161 25101
176 1 8 . 1 1 19 19 SER HA H 19 4.195 4.195 4.612 -0.417 25101
177 1 8 . 1 1 21 21 LEU HA H 21 4.205 4.205 4.644 -0.439 25101
178 1 8 . 1 1 22 22 ASP HA H 22 4.398 4.398 4.744 -0.346 25101
179 1 8 . 1 1 23 23 ARG HA H 23 4.114 4.114 4.130 -0.016 25101
180 1 8 . 1 1 26 26 CYS HA H 26 4.279 4.279 4.694 -0.415 25101
181 1 8 . 1 1 27 27 ALA HA H 27 3.722 3.722 4.015 -0.293 25101
182 1 8 . 1 1 28 28 TYR HA H 28 4.265 4.265 4.546 -0.281 25101
183 1 8 . 1 1 29 29 CYS HA H 29 4.150 4.150 4.746 -0.596 25101
184 1 8 . 1 1 30 30 LYS HA H 30 4.167 4.167 4.065 0.102 25101
185 1 8 . 1 1 31 31 GLU HA H 31 4.229 4.229 4.279 -0.050 25101
186 1 8 . 1 1 34 34 HIS HA H 34 3.597 3.597 4.894 -1.297 25101
187 1 8 . 1 1 35 35 TRP HA H 35 5.049 5.049 4.964 0.085 25101
188 1 8 . 1 1 37 37 LYS HA H 37 3.987 3.987 4.106 -0.119 25101
189 1 8 . 1 1 38 38 ASP HA H 38 4.785 4.785 4.873 -0.088 25101
190 1 8 . 1 1 42 42 LYS HA H 42 3.711 3.711 4.513 -0.802 25101
191 1 8 . 1 1 46 46 PRO HA H 46 4.333 4.333 4.542 -0.209 25101
192 1 8 . 1 1 54 54 SER HA H 54 4.257 4.257 4.598 -0.341 25101
193 1 9 . 1 1 2 2 THR HA H 2 4.333 4.333 4.667 -0.334 25101
194 1 9 . 1 1 3 3 VAL HA H 3 3.892 3.892 4.462 -0.570 25101
195 1 9 . 1 1 4 4 VAL HA H 4 3.933 3.933 4.507 -0.574 25101
196 1 9 . 1 1 5 5 SER HA H 5 4.220 4.220 4.767 -0.547 25101
197 1 9 . 1 1 7 7 GLN HA H 7 4.145 4.145 3.949 0.196 25101
198 1 9 . 1 1 8 8 LYS HA H 8 3.158 3.158 4.551 -1.393 25101
199 1 9 . 1 1 18 18 ARG HA H 18 4.041 4.041 4.483 -0.442 25101
200 1 9 . 1 1 19 19 SER HA H 19 4.195 4.195 4.256 -0.061 25101
201 1 9 . 1 1 21 21 LEU HA H 21 4.205 4.205 4.543 -0.338 25101
202 1 9 . 1 1 22 22 ASP HA H 22 4.398 4.398 4.838 -0.440 25101
203 1 9 . 1 1 23 23 ARG HA H 23 4.114 4.114 4.225 -0.111 25101
204 1 9 . 1 1 26 26 CYS HA H 26 4.279 4.279 4.448 -0.169 25101
205 1 9 . 1 1 27 27 ALA HA H 27 3.722 3.722 4.017 -0.295 25101
206 1 9 . 1 1 28 28 TYR HA H 28 4.265 4.265 4.579 -0.314 25101
207 1 9 . 1 1 29 29 CYS HA H 29 4.150 4.150 4.731 -0.581 25101
208 1 9 . 1 1 30 30 LYS HA H 30 4.167 4.167 4.103 0.064 25101
209 1 9 . 1 1 31 31 GLU HA H 31 4.229 4.229 4.241 -0.012 25101
210 1 9 . 1 1 34 34 HIS HA H 34 3.597 3.597 4.760 -1.163 25101
211 1 9 . 1 1 35 35 TRP HA H 35 5.049 5.049 4.952 0.097 25101
212 1 9 . 1 1 37 37 LYS HA H 37 3.987 3.987 4.160 -0.173 25101
213 1 9 . 1 1 38 38 ASP HA H 38 4.785 4.785 4.802 -0.017 25101
214 1 9 . 1 1 42 42 LYS HA H 42 3.711 3.711 4.383 -0.672 25101
215 1 9 . 1 1 46 46 PRO HA H 46 4.333 4.333 4.464 -0.131 25101
216 1 9 . 1 1 54 54 SER HA H 54 4.257 4.257 4.312 -0.055 25101
217 1 10 . 1 1 2 2 THR HA H 2 4.333 4.333 5.029 -0.696 25101
218 1 10 . 1 1 3 3 VAL HA H 3 3.892 3.892 4.476 -0.584 25101
219 1 10 . 1 1 4 4 VAL HA H 4 3.933 3.933 4.525 -0.592 25101
220 1 10 . 1 1 5 5 SER HA H 5 4.220 4.220 4.712 -0.492 25101
221 1 10 . 1 1 7 7 GLN HA H 7 4.145 4.145 5.005 -0.860 25101
222 1 10 . 1 1 8 8 LYS HA H 8 3.158 3.158 4.627 -1.469 25101
223 1 10 . 1 1 18 18 ARG HA H 18 4.041 4.041 4.286 -0.245 25101
224 1 10 . 1 1 19 19 SER HA H 19 4.195 4.195 4.555 -0.360 25101
225 1 10 . 1 1 21 21 LEU HA H 21 4.205 4.205 4.495 -0.290 25101
226 1 10 . 1 1 22 22 ASP HA H 22 4.398 4.398 4.781 -0.383 25101
227 1 10 . 1 1 23 23 ARG HA H 23 4.114 4.114 4.168 -0.054 25101
228 1 10 . 1 1 26 26 CYS HA H 26 4.279 4.279 4.455 -0.176 25101
229 1 10 . 1 1 27 27 ALA HA H 27 3.722 3.722 3.929 -0.207 25101
230 1 10 . 1 1 28 28 TYR HA H 28 4.265 4.265 4.507 -0.242 25101
231 1 10 . 1 1 29 29 CYS HA H 29 4.150 4.150 4.639 -0.489 25101
232 1 10 . 1 1 30 30 LYS HA H 30 4.167 4.167 4.072 0.095 25101
233 1 10 . 1 1 31 31 GLU HA H 31 4.229 4.229 4.133 0.096 25101
234 1 10 . 1 1 34 34 HIS HA H 34 3.597 3.597 4.950 -1.353 25101
235 1 10 . 1 1 35 35 TRP HA H 35 5.049 5.049 4.949 0.100 25101
236 1 10 . 1 1 37 37 LYS HA H 37 3.987 3.987 4.146 -0.159 25101
237 1 10 . 1 1 38 38 ASP HA H 38 4.785 4.785 4.886 -0.101 25101
238 1 10 . 1 1 42 42 LYS HA H 42 3.711 3.711 4.518 -0.807 25101
239 1 10 . 1 1 46 46 PRO HA H 46 4.333 4.333 4.651 -0.318 25101
240 1 10 . 1 1 54 54 SER HA H 54 4.257 4.257 4.772 -0.515 25101
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 25101
2 1 1 "Average Difference" HA 26 0.533 0.378 0.383 25101
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25101
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25101
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25101
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 25101
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25101
8 1 2 "Average Difference" HA 26 0.506 0.353 0.370 25101
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25101
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25101
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25101
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 25101
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25101
14 1 3 "Average Difference" HA 26 0.493 0.328 0.375 25101
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25101
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25101
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25101
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 25101
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25101
20 1 4 "Average Difference" HA 26 0.509 0.314 0.410 25101
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25101
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25101
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25101
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 25101
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25101
26 1 5 "Average Difference" HA 26 0.573 0.395 0.424 25101
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25101
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25101
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25101
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 25101
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25101
32 1 6 "Average Difference" HA 26 0.609 0.383 0.484 25101
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25101
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25101
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25101
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 25101
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25101
38 1 7 "Average Difference" HA 26 0.504 0.324 0.393 25101
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25101
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25101
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25101
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 25101
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25101
44 1 8 "Average Difference" HA 26 0.543 0.358 0.416 25101
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25101
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25101
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25101
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 25101
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25101
50 1 9 "Average Difference" HA 26 0.484 0.328 0.364 25101
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25101
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25101
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25101
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 25101
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25101
56 1 10 "Average Difference" HA 26 0.573 0.426 0.391 25101
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25101
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25101
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25101
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 25101
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 25101
_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 THR HA H 2 4.333 4.333 4.767 -0.434 25101
2 1 . 1 1 3 3 VAL HA H 3 3.892 3.892 4.394 -0.502 25101
3 1 . 1 1 4 4 VAL HA H 4 3.933 3.933 4.341 -0.408 25101
4 1 . 1 1 5 5 SER HA H 5 4.220 4.220 4.731 -0.511 25101
5 1 . 1 1 7 7 GLN HA H 7 4.145 4.145 4.472 -0.327 25101
6 1 . 1 1 8 8 LYS HA H 8 3.158 3.158 4.604 -1.446 25101
7 1 . 1 1 18 18 ARG HA H 18 4.041 4.041 4.297 -0.256 25101
8 1 . 1 1 19 19 SER HA H 19 4.195 4.195 4.371 -0.176 25101
9 1 . 1 1 21 21 LEU HA H 21 4.205 4.205 4.544 -0.339 25101
10 1 . 1 1 22 22 ASP HA H 22 4.398 4.398 4.746 -0.348 25101
11 1 . 1 1 23 23 ARG HA H 23 4.114 4.114 4.175 -0.061 25101
12 1 . 1 1 26 26 CYS HA H 26 4.279 4.279 4.561 -0.282 25101
13 1 . 1 1 27 27 ALA HA H 27 3.722 3.722 4.042 -0.320 25101
14 1 . 1 1 28 28 TYR HA H 28 4.265 4.265 4.522 -0.257 25101
15 1 . 1 1 29 29 CYS HA H 29 4.150 4.150 4.649 -0.499 25101
16 1 . 1 1 30 30 LYS HA H 30 4.167 4.167 4.056 0.111 25101
17 1 . 1 1 31 31 GLU HA H 31 4.229 4.229 4.236 -0.007 25101
18 1 . 1 1 34 34 HIS HA H 34 3.597 3.597 4.849 -1.252 25101
19 1 . 1 1 35 35 TRP HA H 35 5.049 5.049 4.974 0.075 25101
20 1 . 1 1 37 37 LYS HA H 37 3.987 3.987 4.125 -0.138 25101
21 1 . 1 1 38 38 ASP HA H 38 4.785 4.785 4.831 -0.046 25101
22 1 . 1 1 42 42 LYS HA H 42 3.711 3.711 4.515 -0.804 25101
23 1 . 1 1 46 46 PRO HA H 46 4.333 4.333 4.452 -0.119 25101
24 1 . 1 1 54 54 SER HA H 54 4.257 4.257 4.636 -0.379 25101
stop_
save_