data_19663
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19663
_Entry.PDB_ID 2MI1
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 19663
_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 GLY H H 2 8.057 8.057 8.062 -0.005 19663
2 1 1 . 1 1 3 3 CYS HA H 3 4.715 4.715 4.131 0.584 19663
3 1 1 . 1 1 3 3 CYS H H 3 8.147 8.147 8.463 -0.316 19663
4 1 1 . 1 1 4 4 LYS HA H 4 4.428 4.428 4.524 -0.096 19663
5 1 1 . 1 1 4 4 LYS H H 4 8.319 8.319 8.120 0.199 19663
6 1 1 . 1 1 5 5 ASN HA H 5 4.803 4.803 4.720 0.083 19663
7 1 1 . 1 1 5 5 ASN H H 5 8.203 8.203 8.479 -0.276 19663
8 1 1 . 1 1 6 6 PHE HA H 6 4.708 4.708 4.057 0.651 19663
9 1 1 . 1 1 7 7 PHE HA H 7 4.817 4.817 4.057 0.760 19663
10 1 1 . 1 1 8 8 TRP HA H 8 4.551 4.551 4.727 -0.176 19663
11 1 1 . 1 1 8 8 TRP H H 8 8.053 8.053 7.565 0.488 19663
12 1 1 . 1 1 9 9 LYS HA H 9 4.394 4.394 4.484 -0.090 19663
13 1 1 . 1 1 9 9 LYS H H 9 7.754 7.754 8.604 -0.850 19663
14 1 1 . 1 1 10 10 THR HA H 10 4.421 4.421 4.151 0.270 19663
15 1 1 . 1 1 10 10 THR H H 10 7.853 7.853 8.139 -0.286 19663
16 1 1 . 1 1 11 11 PHE HA H 11 4.552 4.552 4.876 -0.324 19663
17 1 1 . 1 1 12 12 THR HA H 12 4.610 4.610 3.962 0.648 19663
18 1 1 . 1 1 12 12 THR H H 12 8.047 8.047 8.788 -0.741 19663
19 1 1 . 1 1 13 13 SER HA H 13 4.726 4.726 3.679 1.047 19663
20 1 1 . 1 1 13 13 SER H H 13 7.633 7.633 8.148 -0.515 19663
21 1 2 . 1 1 2 2 GLY H H 2 8.057 8.057 8.344 -0.287 19663
22 1 2 . 1 1 3 3 CYS HA H 3 4.715 4.715 4.733 -0.018 19663
23 1 2 . 1 1 3 3 CYS H H 3 8.147 8.147 8.181 -0.034 19663
24 1 2 . 1 1 4 4 LYS HA H 4 4.428 4.428 4.557 -0.129 19663
25 1 2 . 1 1 4 4 LYS H H 4 8.319 8.319 8.220 0.099 19663
26 1 2 . 1 1 5 5 ASN HA H 5 4.803 4.803 4.755 0.048 19663
27 1 2 . 1 1 5 5 ASN H H 5 8.203 8.203 8.303 -0.100 19663
28 1 2 . 1 1 6 6 PHE HA H 6 4.708 4.708 4.153 0.555 19663
29 1 2 . 1 1 7 7 PHE HA H 7 4.817 4.817 4.060 0.757 19663
30 1 2 . 1 1 8 8 TRP HA H 8 4.551 4.551 4.678 -0.127 19663
31 1 2 . 1 1 8 8 TRP H H 8 8.053 8.053 7.982 0.071 19663
32 1 2 . 1 1 9 9 LYS HA H 9 4.394 4.394 4.471 -0.077 19663
33 1 2 . 1 1 9 9 LYS H H 9 7.754 7.754 8.620 -0.866 19663
34 1 2 . 1 1 10 10 THR HA H 10 4.421 4.421 4.165 0.256 19663
35 1 2 . 1 1 10 10 THR H H 10 7.853 7.853 8.477 -0.624 19663
36 1 2 . 1 1 11 11 PHE HA H 11 4.552 4.552 4.951 -0.399 19663
37 1 2 . 1 1 12 12 THR HA H 12 4.610 4.610 3.802 0.808 19663
38 1 2 . 1 1 12 12 THR H H 12 8.047 8.047 8.397 -0.350 19663
39 1 2 . 1 1 13 13 SER HA H 13 4.726 4.726 3.615 1.111 19663
40 1 2 . 1 1 13 13 SER H H 13 7.633 7.633 8.140 -0.507 19663
41 1 3 . 1 1 2 2 GLY H H 2 8.057 8.057 8.511 -0.454 19663
42 1 3 . 1 1 3 3 CYS HA H 3 4.715 4.715 4.585 0.130 19663
43 1 3 . 1 1 3 3 CYS H H 3 8.147 8.147 8.252 -0.105 19663
44 1 3 . 1 1 4 4 LYS HA H 4 4.428 4.428 4.695 -0.267 19663
45 1 3 . 1 1 4 4 LYS H H 4 8.319 8.319 8.585 -0.266 19663
46 1 3 . 1 1 5 5 ASN HA H 5 4.803 4.803 4.627 0.176 19663
47 1 3 . 1 1 5 5 ASN H H 5 8.203 8.203 8.270 -0.067 19663
48 1 3 . 1 1 6 6 PHE HA H 6 4.708 4.708 4.243 0.465 19663
49 1 3 . 1 1 7 7 PHE HA H 7 4.817 4.817 4.551 0.266 19663
50 1 3 . 1 1 8 8 TRP HA H 8 4.551 4.551 4.701 -0.150 19663
51 1 3 . 1 1 8 8 TRP H H 8 8.053 8.053 7.552 0.501 19663
52 1 3 . 1 1 9 9 LYS HA H 9 4.394 4.394 4.571 -0.177 19663
53 1 3 . 1 1 9 9 LYS H H 9 7.754 7.754 8.528 -0.774 19663
54 1 3 . 1 1 10 10 THR HA H 10 4.421 4.421 4.131 0.290 19663
55 1 3 . 1 1 10 10 THR H H 10 7.853 7.853 8.262 -0.409 19663
56 1 3 . 1 1 11 11 PHE HA H 11 4.552 4.552 4.467 0.085 19663
57 1 3 . 1 1 12 12 THR HA H 12 4.610 4.610 3.926 0.684 19663
58 1 3 . 1 1 12 12 THR H H 12 8.047 8.047 7.774 0.273 19663
59 1 3 . 1 1 13 13 SER HA H 13 4.726 4.726 4.272 0.454 19663
60 1 3 . 1 1 13 13 SER H H 13 7.633 7.633 8.533 -0.900 19663
61 1 4 . 1 1 2 2 GLY H H 2 8.057 8.057 8.419 -0.362 19663
62 1 4 . 1 1 3 3 CYS HA H 3 4.715 4.715 4.516 0.199 19663
63 1 4 . 1 1 3 3 CYS H H 3 8.147 8.147 8.191 -0.044 19663
64 1 4 . 1 1 4 4 LYS HA H 4 4.428 4.428 4.628 -0.200 19663
65 1 4 . 1 1 4 4 LYS H H 4 8.319 8.319 8.652 -0.333 19663
66 1 4 . 1 1 5 5 ASN HA H 5 4.803 4.803 4.642 0.161 19663
67 1 4 . 1 1 5 5 ASN H H 5 8.203 8.203 8.375 -0.172 19663
68 1 4 . 1 1 6 6 PHE HA H 6 4.708 4.708 4.277 0.431 19663
69 1 4 . 1 1 7 7 PHE HA H 7 4.817 4.817 4.684 0.133 19663
70 1 4 . 1 1 8 8 TRP HA H 8 4.551 4.551 4.555 -0.004 19663
71 1 4 . 1 1 8 8 TRP H H 8 8.053 8.053 7.603 0.450 19663
72 1 4 . 1 1 9 9 LYS HA H 9 4.394 4.394 4.566 -0.172 19663
73 1 4 . 1 1 9 9 LYS H H 9 7.754 7.754 8.619 -0.865 19663
74 1 4 . 1 1 10 10 THR HA H 10 4.421 4.421 3.857 0.564 19663
75 1 4 . 1 1 10 10 THR H H 10 7.853 7.853 8.350 -0.497 19663
76 1 4 . 1 1 11 11 PHE HA H 11 4.552 4.552 4.441 0.111 19663
77 1 4 . 1 1 12 12 THR HA H 12 4.610 4.610 3.875 0.735 19663
78 1 4 . 1 1 12 12 THR H H 12 8.047 8.047 7.715 0.332 19663
79 1 4 . 1 1 13 13 SER HA H 13 4.726 4.726 4.346 0.380 19663
80 1 4 . 1 1 13 13 SER H H 13 7.633 7.633 8.218 -0.585 19663
81 1 5 . 1 1 2 2 GLY H H 2 8.057 8.057 8.515 -0.458 19663
82 1 5 . 1 1 3 3 CYS HA H 3 4.715 4.715 4.371 0.344 19663
83 1 5 . 1 1 3 3 CYS H H 3 8.147 8.147 8.331 -0.183 19663
84 1 5 . 1 1 4 4 LYS HA H 4 4.428 4.428 4.597 -0.169 19663
85 1 5 . 1 1 4 4 LYS H H 4 8.319 8.319 8.286 0.033 19663
86 1 5 . 1 1 5 5 ASN HA H 5 4.803 4.803 4.653 0.150 19663
87 1 5 . 1 1 5 5 ASN H H 5 8.203 8.203 7.994 0.209 19663
88 1 5 . 1 1 6 6 PHE HA H 6 4.708 4.708 4.295 0.413 19663
89 1 5 . 1 1 7 7 PHE HA H 7 4.817 4.817 4.733 0.084 19663
90 1 5 . 1 1 8 8 TRP HA H 8 4.551 4.551 4.614 -0.063 19663
91 1 5 . 1 1 8 8 TRP H H 8 8.053 8.053 7.545 0.508 19663
92 1 5 . 1 1 9 9 LYS HA H 9 4.394 4.394 4.568 -0.174 19663
93 1 5 . 1 1 9 9 LYS H H 9 7.754 7.754 8.560 -0.806 19663
94 1 5 . 1 1 10 10 THR HA H 10 4.421 4.421 3.800 0.621 19663
95 1 5 . 1 1 10 10 THR H H 10 7.853 7.853 8.304 -0.451 19663
96 1 5 . 1 1 11 11 PHE HA H 11 4.552 4.552 4.296 0.256 19663
97 1 5 . 1 1 12 12 THR HA H 12 4.610 4.610 3.900 0.710 19663
98 1 5 . 1 1 12 12 THR H H 12 8.047 8.047 7.895 0.152 19663
99 1 5 . 1 1 13 13 SER HA H 13 4.726 4.726 4.177 0.549 19663
100 1 5 . 1 1 13 13 SER H H 13 7.633 7.633 8.368 -0.735 19663
101 1 6 . 1 1 2 2 GLY H H 2 8.057 8.057 8.235 -0.178 19663
102 1 6 . 1 1 3 3 CYS HA H 3 4.715 4.715 4.155 0.560 19663
103 1 6 . 1 1 3 3 CYS H H 3 8.147 8.147 8.345 -0.198 19663
104 1 6 . 1 1 4 4 LYS HA H 4 4.428 4.428 4.552 -0.124 19663
105 1 6 . 1 1 4 4 LYS H H 4 8.319 8.319 8.609 -0.290 19663
106 1 6 . 1 1 5 5 ASN HA H 5 4.803 4.803 4.826 -0.023 19663
107 1 6 . 1 1 5 5 ASN H H 5 8.203 8.203 8.453 -0.250 19663
108 1 6 . 1 1 6 6 PHE HA H 6 4.708 4.708 4.139 0.569 19663
109 1 6 . 1 1 7 7 PHE HA H 7 4.817 4.817 4.685 0.132 19663
110 1 6 . 1 1 8 8 TRP HA H 8 4.551 4.551 4.688 -0.137 19663
111 1 6 . 1 1 8 8 TRP H H 8 8.053 8.053 8.119 -0.066 19663
112 1 6 . 1 1 9 9 LYS HA H 9 4.394 4.394 4.590 -0.196 19663
113 1 6 . 1 1 9 9 LYS H H 9 7.754 7.754 8.556 -0.802 19663
114 1 6 . 1 1 10 10 THR HA H 10 4.421 4.421 3.783 0.638 19663
115 1 6 . 1 1 10 10 THR H H 10 7.853 7.853 8.299 -0.446 19663
116 1 6 . 1 1 11 11 PHE HA H 11 4.552 4.552 4.407 0.144 19663
117 1 6 . 1 1 12 12 THR HA H 12 4.610 4.610 3.852 0.758 19663
118 1 6 . 1 1 12 12 THR H H 12 8.047 8.047 7.901 0.146 19663
119 1 6 . 1 1 13 13 SER HA H 13 4.726 4.726 4.265 0.461 19663
120 1 6 . 1 1 13 13 SER H H 13 7.633 7.633 8.194 -0.561 19663
121 1 7 . 1 1 2 2 GLY H H 2 8.057 8.057 8.537 -0.480 19663
122 1 7 . 1 1 3 3 CYS HA H 3 4.715 4.715 4.241 0.474 19663
123 1 7 . 1 1 3 3 CYS H H 3 8.147 8.147 8.384 -0.237 19663
124 1 7 . 1 1 4 4 LYS HA H 4 4.428 4.428 4.441 -0.013 19663
125 1 7 . 1 1 4 4 LYS H H 4 8.319 8.319 8.767 -0.448 19663
126 1 7 . 1 1 5 5 ASN HA H 5 4.803 4.803 4.696 0.107 19663
127 1 7 . 1 1 5 5 ASN H H 5 8.203 8.203 8.439 -0.236 19663
128 1 7 . 1 1 6 6 PHE HA H 6 4.708 4.708 4.275 0.433 19663
129 1 7 . 1 1 7 7 PHE HA H 7 4.817 4.817 4.684 0.133 19663
130 1 7 . 1 1 8 8 TRP HA H 8 4.551 4.551 4.653 -0.102 19663
131 1 7 . 1 1 8 8 TRP H H 8 8.053 8.053 7.876 0.177 19663
132 1 7 . 1 1 9 9 LYS HA H 9 4.394 4.394 4.522 -0.128 19663
133 1 7 . 1 1 9 9 LYS H H 9 7.754 7.754 8.624 -0.870 19663
134 1 7 . 1 1 10 10 THR HA H 10 4.421 4.421 3.825 0.596 19663
135 1 7 . 1 1 10 10 THR H H 10 7.853 7.853 8.449 -0.596 19663
136 1 7 . 1 1 11 11 PHE HA H 11 4.552 4.552 4.447 0.105 19663
137 1 7 . 1 1 12 12 THR HA H 12 4.610 4.610 3.920 0.690 19663
138 1 7 . 1 1 12 12 THR H H 12 8.047 8.047 7.748 0.299 19663
139 1 7 . 1 1 13 13 SER HA H 13 4.726 4.726 4.104 0.622 19663
140 1 7 . 1 1 13 13 SER H H 13 7.633 7.633 8.233 -0.600 19663
141 1 8 . 1 1 2 2 GLY H H 2 8.057 8.057 8.028 0.029 19663
142 1 8 . 1 1 3 3 CYS HA H 3 4.715 4.715 4.281 0.434 19663
143 1 8 . 1 1 3 3 CYS H H 3 8.147 8.147 8.421 -0.274 19663
144 1 8 . 1 1 4 4 LYS HA H 4 4.428 4.428 4.535 -0.107 19663
145 1 8 . 1 1 4 4 LYS H H 4 8.319 8.319 8.241 0.078 19663
146 1 8 . 1 1 5 5 ASN HA H 5 4.803 4.803 4.665 0.138 19663
147 1 8 . 1 1 5 5 ASN H H 5 8.203 8.203 8.387 -0.184 19663
148 1 8 . 1 1 6 6 PHE HA H 6 4.708 4.708 4.256 0.452 19663
149 1 8 . 1 1 7 7 PHE HA H 7 4.817 4.817 4.577 0.240 19663
150 1 8 . 1 1 8 8 TRP HA H 8 4.551 4.551 4.571 -0.020 19663
151 1 8 . 1 1 8 8 TRP H H 8 8.053 8.053 7.639 0.414 19663
152 1 8 . 1 1 9 9 LYS HA H 9 4.394 4.394 4.477 -0.083 19663
153 1 8 . 1 1 9 9 LYS H H 9 7.754 7.754 8.485 -0.731 19663
154 1 8 . 1 1 10 10 THR HA H 10 4.421 4.421 4.205 0.216 19663
155 1 8 . 1 1 10 10 THR H H 10 7.853 7.853 8.309 -0.456 19663
156 1 8 . 1 1 11 11 PHE HA H 11 4.552 4.552 4.513 0.039 19663
157 1 8 . 1 1 12 12 THR HA H 12 4.610 4.610 3.890 0.720 19663
158 1 8 . 1 1 12 12 THR H H 12 8.047 8.047 7.769 0.278 19663
159 1 8 . 1 1 13 13 SER HA H 13 4.726 4.726 4.240 0.486 19663
160 1 8 . 1 1 13 13 SER H H 13 7.633 7.633 8.361 -0.728 19663
161 1 9 . 1 1 2 2 GLY H H 2 8.057 8.057 8.197 -0.140 19663
162 1 9 . 1 1 3 3 CYS HA H 3 4.715 4.715 4.132 0.583 19663
163 1 9 . 1 1 3 3 CYS H H 3 8.147 8.147 8.178 -0.030 19663
164 1 9 . 1 1 4 4 LYS HA H 4 4.428 4.428 4.408 0.020 19663
165 1 9 . 1 1 4 4 LYS H H 4 8.319 8.319 8.224 0.095 19663
166 1 9 . 1 1 5 5 ASN HA H 5 4.803 4.803 4.707 0.096 19663
167 1 9 . 1 1 5 5 ASN H H 5 8.203 8.203 8.032 0.171 19663
168 1 9 . 1 1 6 6 PHE HA H 6 4.708 4.708 4.216 0.492 19663
169 1 9 . 1 1 7 7 PHE HA H 7 4.817 4.817 4.141 0.676 19663
170 1 9 . 1 1 8 8 TRP HA H 8 4.551 4.551 4.634 -0.083 19663
171 1 9 . 1 1 8 8 TRP H H 8 8.053 8.053 7.663 0.390 19663
172 1 9 . 1 1 9 9 LYS HA H 9 4.394 4.394 4.455 -0.061 19663
173 1 9 . 1 1 9 9 LYS H H 9 7.754 7.754 8.832 -1.078 19663
174 1 9 . 1 1 10 10 THR HA H 10 4.421 4.421 4.005 0.415 19663
175 1 9 . 1 1 10 10 THR H H 10 7.853 7.853 8.471 -0.618 19663
176 1 9 . 1 1 11 11 PHE HA H 11 4.552 4.552 4.511 0.041 19663
177 1 9 . 1 1 12 12 THR HA H 12 4.610 4.610 3.834 0.776 19663
178 1 9 . 1 1 12 12 THR H H 12 8.047 8.047 7.630 0.417 19663
179 1 9 . 1 1 13 13 SER HA H 13 4.726 4.726 3.584 1.142 19663
180 1 9 . 1 1 13 13 SER H H 13 7.633 7.633 7.905 -0.272 19663
181 1 10 . 1 1 2 2 GLY H H 2 8.057 8.057 8.033 0.024 19663
182 1 10 . 1 1 3 3 CYS HA H 3 4.715 4.715 4.030 0.685 19663
183 1 10 . 1 1 3 3 CYS H H 3 8.147 8.147 8.253 -0.106 19663
184 1 10 . 1 1 4 4 LYS HA H 4 4.428 4.428 4.571 -0.143 19663
185 1 10 . 1 1 4 4 LYS H H 4 8.319 8.319 8.713 -0.394 19663
186 1 10 . 1 1 5 5 ASN HA H 5 4.803 4.803 5.050 -0.247 19663
187 1 10 . 1 1 5 5 ASN H H 5 8.203 8.203 8.418 -0.215 19663
188 1 10 . 1 1 6 6 PHE HA H 6 4.708 4.708 4.128 0.580 19663
189 1 10 . 1 1 7 7 PHE HA H 7 4.817 4.817 4.621 0.196 19663
190 1 10 . 1 1 8 8 TRP HA H 8 4.551 4.551 4.659 -0.108 19663
191 1 10 . 1 1 8 8 TRP H H 8 8.053 8.053 7.508 0.545 19663
192 1 10 . 1 1 9 9 LYS HA H 9 4.394 4.394 4.468 -0.074 19663
193 1 10 . 1 1 9 9 LYS H H 9 7.754 7.754 8.486 -0.732 19663
194 1 10 . 1 1 10 10 THR HA H 10 4.421 4.421 3.793 0.628 19663
195 1 10 . 1 1 10 10 THR H H 10 7.853 7.853 8.216 -0.363 19663
196 1 10 . 1 1 11 11 PHE HA H 11 4.552 4.552 4.477 0.075 19663
197 1 10 . 1 1 12 12 THR HA H 12 4.610 4.610 3.877 0.733 19663
198 1 10 . 1 1 12 12 THR H H 12 8.047 8.047 7.829 0.218 19663
199 1 10 . 1 1 13 13 SER HA H 13 4.726 4.726 4.372 0.354 19663
200 1 10 . 1 1 13 13 SER H H 13 7.633 7.633 8.411 -0.778 19663
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 19663
2 1 1 "Average Difference" HA 13 0.489 -0.243 0.442 19663
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19663
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19663
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19663
6 1 1 "Average Difference" HN 9 0.480 0.256 0.431 19663
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19663
8 1 2 "Average Difference" HA 13 0.491 -0.248 0.441 19663
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19663
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19663
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19663
12 1 2 "Average Difference" HN 9 0.425 0.289 0.331 19663
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19663
14 1 3 "Average Difference" HA 13 0.322 -0.188 0.272 19663
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19663
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19663
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19663
18 1 3 "Average Difference" HN 9 0.494 0.245 0.455 19663
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19663
20 1 4 "Average Difference" HA 13 0.349 -0.232 0.271 19663
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19663
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19663
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19663
24 1 4 "Average Difference" HN 9 0.462 0.231 0.425 19663
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19663
26 1 5 "Average Difference" HA 13 0.380 -0.262 0.286 19663
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19663
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19663
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19663
30 1 5 "Average Difference" HN 9 0.467 0.192 0.451 19663
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19663
32 1 6 "Average Difference" HA 13 0.398 -0.251 0.321 19663
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19663
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19663
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19663
36 1 6 "Average Difference" HN 9 0.395 0.294 0.279 19663
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19663
38 1 7 "Average Difference" HA 13 0.367 -0.250 0.280 19663
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19663
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19663
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19663
42 1 7 "Average Difference" HN 9 0.487 0.332 0.378 19663
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19663
44 1 8 "Average Difference" HA 13 0.315 -0.196 0.257 19663
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19663
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19663
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19663
48 1 8 "Average Difference" HN 9 0.427 0.175 0.413 19663
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19663
50 1 9 "Average Difference" HA 13 0.495 -0.338 0.376 19663
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19663
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19663
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19663
54 1 9 "Average Difference" HN 9 0.472 0.118 0.484 19663
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19663
56 1 10 "Average Difference" HA 13 0.406 -0.246 0.336 19663
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19663
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19663
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19663
60 1 10 "Average Difference" HN 9 0.451 0.200 0.429 19663
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 19663
_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 GLY H H 2 8.057 8.057 8.288 -0.231 19663
2 1 . 1 1 3 3 CYS HA H 3 4.715 4.715 4.318 0.398 19663
3 1 . 1 1 3 3 CYS H H 3 8.147 8.147 8.300 -0.153 19663
4 1 . 1 1 4 4 LYS HA H 4 4.428 4.428 4.551 -0.123 19663
5 1 . 1 1 4 4 LYS H H 4 8.319 8.319 8.442 -0.123 19663
6 1 . 1 1 5 5 ASN HA H 5 4.803 4.803 4.734 0.069 19663
7 1 . 1 1 5 5 ASN H H 5 8.203 8.203 8.315 -0.112 19663
8 1 . 1 1 6 6 PHE HA H 6 4.708 4.708 4.204 0.504 19663
9 1 . 1 1 7 7 PHE HA H 7 4.817 4.817 4.479 0.338 19663
10 1 . 1 1 8 8 TRP HA H 8 4.551 4.551 4.648 -0.097 19663
11 1 . 1 1 8 8 TRP H H 8 8.053 8.053 7.705 0.348 19663
12 1 . 1 1 9 9 LYS HA H 9 4.394 4.394 4.517 -0.123 19663
13 1 . 1 1 9 9 LYS H H 9 7.754 7.754 8.591 -0.837 19663
14 1 . 1 1 10 10 THR HA H 10 4.421 4.421 3.972 0.449 19663
15 1 . 1 1 10 10 THR H H 10 7.853 7.853 8.328 -0.475 19663
16 1 . 1 1 11 11 PHE HA H 11 4.552 4.552 4.539 0.013 19663
17 1 . 1 1 12 12 THR HA H 12 4.610 4.610 3.884 0.726 19663
18 1 . 1 1 12 12 THR H H 12 8.047 8.047 7.945 0.102 19663
19 1 . 1 1 13 13 SER HA H 13 4.726 4.726 4.065 0.661 19663
20 1 . 1 1 13 13 SER H H 13 7.633 7.633 8.251 -0.618 19663
stop_
save_