data_18998
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18998
_Entry.PDB_ID 2M4C
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 18998
_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 ILE HA H 2 4.161 4.161 3.637 0.524 18998
2 1 1 . 1 1 2 2 ILE H H 2 9.119 9.119 8.432 0.687 18998
3 1 1 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.496 0.500 18998
4 1 1 . 1 1 3 3 ALA H H 3 8.456 8.456 8.125 0.331 18998
5 1 1 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.646 -0.705 18998
6 1 1 . 1 1 4 4 HIS H H 4 8.397 8.397 8.668 -0.271 18998
7 1 1 . 1 1 5 5 TYR HA H 5 4.819 4.819 3.932 0.887 18998
8 1 1 . 1 1 5 5 TYR H H 5 7.986 7.986 8.469 -0.483 18998
9 1 1 . 1 1 6 6 GLY H H 6 8.644 8.644 7.815 0.829 18998
10 1 1 . 1 1 7 7 LYS HA H 7 4.259 4.259 5.221 -0.962 18998
11 1 1 . 1 1 7 7 LYS H H 7 8.343 8.343 8.115 0.228 18998
12 1 1 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.482 0.367 18998
13 1 1 . 1 1 8 8 CYS H H 8 8.496 8.496 8.739 -0.243 18998
14 1 1 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.557 0.465 18998
15 1 1 . 1 1 9 9 ASP H H 9 8.434 8.434 7.658 0.776 18998
16 1 1 . 1 1 10 10 GLY H H 10 8.437 8.437 8.492 -0.055 18998
17 1 1 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.812 0.320 18998
18 1 1 . 1 1 11 11 ILE H H 11 8.348 8.348 8.211 0.137 18998
19 1 1 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.147 0.508 18998
20 1 1 . 1 1 12 12 ILE H H 12 8.123 8.123 7.806 0.317 18998
21 1 1 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.807 -1.093 18998
22 1 1 . 1 1 13 13 ASN H H 13 9.607 9.607 8.059 1.548 18998
23 1 1 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.603 -0.069 18998
24 1 1 . 1 1 14 14 GLN H H 14 8.644 8.644 8.547 0.097 18998
25 1 1 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.499 0.378 18998
26 1 1 . 1 1 15 15 CYS H H 15 8.744 8.744 8.521 0.223 18998
27 1 1 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.075 0.546 18998
28 1 1 . 1 1 16 16 CYS H H 16 10.077 10.077 8.740 1.337 18998
29 1 1 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.837 0.697 18998
30 1 1 . 1 1 17 17 ASP H H 17 8.683 8.683 7.676 1.007 18998
31 1 1 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.522 0.218 18998
32 1 1 . 1 1 19 19 TRP H H 19 8.781 8.781 7.551 1.230 18998
33 1 1 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.737 -0.180 18998
34 1 1 . 1 1 20 20 LEU H H 20 8.713 8.713 8.421 0.292 18998
35 1 1 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.242 -1.145 18998
36 1 1 . 1 1 21 21 CYS H H 21 8.047 8.047 8.706 -0.659 18998
37 1 1 . 1 1 22 22 THR HA H 22 4.434 4.434 4.284 0.150 18998
38 1 1 . 1 1 22 22 THR H H 22 9.382 9.382 8.789 0.593 18998
39 1 1 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.738 0.404 18998
40 1 1 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.283 -0.307 18998
41 1 1 . 1 1 25 25 ILE HA H 25 5.364 5.364 3.697 1.667 18998
42 1 1 . 1 1 25 25 ILE H H 25 7.997 7.997 7.755 0.242 18998
43 1 1 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.825 0.564 18998
44 1 1 . 1 1 26 26 ILE H H 26 7.824 7.824 7.911 -0.087 18998
45 1 1 . 1 1 27 27 GLY H H 27 7.701 7.701 7.452 0.249 18998
46 1 1 . 1 1 28 28 PHE HA H 28 5.485 5.485 5.543 -0.058 18998
47 1 1 . 1 1 28 28 PHE H H 28 8.221 8.221 7.897 0.324 18998
48 1 1 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.658 0.187 18998
49 1 1 . 1 1 29 29 CYS H H 29 8.885 8.885 8.377 0.508 18998
50 1 2 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.885 0.276 18998
51 1 2 . 1 1 2 2 ILE H H 2 9.119 9.119 8.433 0.686 18998
52 1 2 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.256 0.740 18998
53 1 2 . 1 1 3 3 ALA H H 3 8.456 8.456 8.125 0.331 18998
54 1 2 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.485 -0.544 18998
55 1 2 . 1 1 4 4 HIS H H 4 8.397 8.397 8.250 0.147 18998
56 1 2 . 1 1 5 5 TYR HA H 5 4.819 4.819 3.178 1.641 18998
57 1 2 . 1 1 5 5 TYR H H 5 7.986 7.986 8.379 -0.393 18998
58 1 2 . 1 1 6 6 GLY H H 6 8.644 8.644 7.211 1.433 18998
59 1 2 . 1 1 7 7 LYS HA H 7 4.259 4.259 5.246 -0.987 18998
60 1 2 . 1 1 7 7 LYS H H 7 8.343 8.343 8.076 0.267 18998
61 1 2 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.266 0.583 18998
62 1 2 . 1 1 8 8 CYS H H 8 8.496 8.496 8.607 -0.111 18998
63 1 2 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.685 0.337 18998
64 1 2 . 1 1 9 9 ASP H H 9 8.434 8.434 7.698 0.736 18998
65 1 2 . 1 1 10 10 GLY H H 10 8.437 8.437 8.257 0.180 18998
66 1 2 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.889 0.243 18998
67 1 2 . 1 1 11 11 ILE H H 11 8.348 8.348 8.094 0.254 18998
68 1 2 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.117 0.538 18998
69 1 2 . 1 1 12 12 ILE H H 12 8.123 8.123 7.729 0.394 18998
70 1 2 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.807 -1.093 18998
71 1 2 . 1 1 13 13 ASN H H 13 9.607 9.607 8.035 1.572 18998
72 1 2 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.629 -0.095 18998
73 1 2 . 1 1 14 14 GLN H H 14 8.644 8.644 8.491 0.153 18998
74 1 2 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.539 0.338 18998
75 1 2 . 1 1 15 15 CYS H H 15 8.744 8.744 8.497 0.247 18998
76 1 2 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.086 0.535 18998
77 1 2 . 1 1 16 16 CYS H H 16 10.077 10.077 8.709 1.368 18998
78 1 2 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.849 0.685 18998
79 1 2 . 1 1 17 17 ASP H H 17 8.683 8.683 7.531 1.152 18998
80 1 2 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.512 0.228 18998
81 1 2 . 1 1 19 19 TRP H H 19 8.781 8.781 7.783 0.998 18998
82 1 2 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.748 -0.191 18998
83 1 2 . 1 1 20 20 LEU H H 20 8.713 8.713 8.481 0.232 18998
84 1 2 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.327 -1.230 18998
85 1 2 . 1 1 21 21 CYS H H 21 8.047 8.047 8.826 -0.779 18998
86 1 2 . 1 1 22 22 THR HA H 22 4.434 4.434 4.167 0.267 18998
87 1 2 . 1 1 22 22 THR H H 22 9.382 9.382 8.618 0.764 18998
88 1 2 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.680 0.462 18998
89 1 2 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.272 -0.296 18998
90 1 2 . 1 1 25 25 ILE HA H 25 5.364 5.364 3.684 1.680 18998
91 1 2 . 1 1 25 25 ILE H H 25 7.997 7.997 7.673 0.324 18998
92 1 2 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.631 0.758 18998
93 1 2 . 1 1 26 26 ILE H H 26 7.824 7.824 7.836 -0.012 18998
94 1 2 . 1 1 27 27 GLY H H 27 7.701 7.701 7.602 0.099 18998
95 1 2 . 1 1 28 28 PHE HA H 28 5.485 5.485 5.480 0.005 18998
96 1 2 . 1 1 28 28 PHE H H 28 8.221 8.221 7.794 0.427 18998
97 1 2 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.448 0.397 18998
98 1 2 . 1 1 29 29 CYS H H 29 8.885 8.885 8.984 -0.099 18998
99 1 3 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.500 0.661 18998
100 1 3 . 1 1 2 2 ILE H H 2 9.119 9.119 8.228 0.891 18998
101 1 3 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.380 0.616 18998
102 1 3 . 1 1 3 3 ALA H H 3 8.456 8.456 7.946 0.510 18998
103 1 3 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.620 -0.679 18998
104 1 3 . 1 1 4 4 HIS H H 4 8.397 8.397 8.548 -0.151 18998
105 1 3 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.123 0.696 18998
106 1 3 . 1 1 5 5 TYR H H 5 7.986 7.986 8.513 -0.527 18998
107 1 3 . 1 1 6 6 GLY H H 6 8.644 8.644 7.938 0.706 18998
108 1 3 . 1 1 7 7 LYS HA H 7 4.259 4.259 5.239 -0.980 18998
109 1 3 . 1 1 7 7 LYS H H 7 8.343 8.343 8.210 0.133 18998
110 1 3 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.269 0.580 18998
111 1 3 . 1 1 8 8 CYS H H 8 8.496 8.496 8.659 -0.163 18998
112 1 3 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.678 0.344 18998
113 1 3 . 1 1 9 9 ASP H H 9 8.434 8.434 7.866 0.568 18998
114 1 3 . 1 1 10 10 GLY H H 10 8.437 8.437 8.295 0.142 18998
115 1 3 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.853 0.279 18998
116 1 3 . 1 1 11 11 ILE H H 11 8.348 8.348 7.967 0.381 18998
117 1 3 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.174 0.481 18998
118 1 3 . 1 1 12 12 ILE H H 12 8.123 8.123 7.753 0.370 18998
119 1 3 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.854 -1.140 18998
120 1 3 . 1 1 13 13 ASN H H 13 9.607 9.607 8.111 1.496 18998
121 1 3 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.648 -0.114 18998
122 1 3 . 1 1 14 14 GLN H H 14 8.644 8.644 8.501 0.143 18998
123 1 3 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.585 0.292 18998
124 1 3 . 1 1 15 15 CYS H H 15 8.744 8.744 8.534 0.210 18998
125 1 3 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.194 0.427 18998
126 1 3 . 1 1 16 16 CYS H H 16 10.077 10.077 8.737 1.340 18998
127 1 3 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.962 0.572 18998
128 1 3 . 1 1 17 17 ASP H H 17 8.683 8.683 7.732 0.951 18998
129 1 3 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.349 0.391 18998
130 1 3 . 1 1 19 19 TRP H H 19 8.781 8.781 7.855 0.926 18998
131 1 3 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.856 -0.299 18998
132 1 3 . 1 1 20 20 LEU H H 20 8.713 8.713 8.254 0.459 18998
133 1 3 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.270 -1.173 18998
134 1 3 . 1 1 21 21 CYS H H 21 8.047 8.047 8.809 -0.762 18998
135 1 3 . 1 1 22 22 THR HA H 22 4.434 4.434 4.333 0.101 18998
136 1 3 . 1 1 22 22 THR H H 22 9.382 9.382 8.862 0.520 18998
137 1 3 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.761 0.381 18998
138 1 3 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.307 -0.331 18998
139 1 3 . 1 1 25 25 ILE HA H 25 5.364 5.364 3.788 1.576 18998
140 1 3 . 1 1 25 25 ILE H H 25 7.997 7.997 7.898 0.099 18998
141 1 3 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.870 0.519 18998
142 1 3 . 1 1 26 26 ILE H H 26 7.824 7.824 8.034 -0.210 18998
143 1 3 . 1 1 27 27 GLY H H 27 7.701 7.701 7.489 0.212 18998
144 1 3 . 1 1 28 28 PHE HA H 28 5.485 5.485 5.484 0.001 18998
145 1 3 . 1 1 28 28 PHE H H 28 8.221 8.221 7.835 0.386 18998
146 1 3 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.250 0.595 18998
147 1 3 . 1 1 29 29 CYS H H 29 8.885 8.885 8.512 0.373 18998
148 1 4 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.570 0.591 18998
149 1 4 . 1 1 2 2 ILE H H 2 9.119 9.119 8.167 0.952 18998
150 1 4 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.370 0.626 18998
151 1 4 . 1 1 3 3 ALA H H 3 8.456 8.456 7.969 0.487 18998
152 1 4 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.622 -0.681 18998
153 1 4 . 1 1 4 4 HIS H H 4 8.397 8.397 8.582 -0.185 18998
154 1 4 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.185 0.634 18998
155 1 4 . 1 1 5 5 TYR H H 5 7.986 7.986 8.483 -0.497 18998
156 1 4 . 1 1 6 6 GLY H H 6 8.644 8.644 7.815 0.829 18998
157 1 4 . 1 1 7 7 LYS HA H 7 4.259 4.259 5.179 -0.920 18998
158 1 4 . 1 1 7 7 LYS H H 7 8.343 8.343 8.285 0.058 18998
159 1 4 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.336 0.513 18998
160 1 4 . 1 1 8 8 CYS H H 8 8.496 8.496 8.789 -0.293 18998
161 1 4 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.604 0.418 18998
162 1 4 . 1 1 9 9 ASP H H 9 8.434 8.434 7.724 0.710 18998
163 1 4 . 1 1 10 10 GLY H H 10 8.437 8.437 8.183 0.254 18998
164 1 4 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.823 0.309 18998
165 1 4 . 1 1 11 11 ILE H H 11 8.348 8.348 8.019 0.329 18998
166 1 4 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.178 0.477 18998
167 1 4 . 1 1 12 12 ILE H H 12 8.123 8.123 7.666 0.457 18998
168 1 4 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.806 -1.092 18998
169 1 4 . 1 1 13 13 ASN H H 13 9.607 9.607 8.055 1.552 18998
170 1 4 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.618 -0.084 18998
171 1 4 . 1 1 14 14 GLN H H 14 8.644 8.644 8.528 0.116 18998
172 1 4 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.509 0.368 18998
173 1 4 . 1 1 15 15 CYS H H 15 8.744 8.744 8.557 0.187 18998
174 1 4 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.084 0.537 18998
175 1 4 . 1 1 16 16 CYS H H 16 10.077 10.077 8.631 1.446 18998
176 1 4 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.865 0.669 18998
177 1 4 . 1 1 17 17 ASP H H 17 8.683 8.683 7.444 1.239 18998
178 1 4 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.477 0.263 18998
179 1 4 . 1 1 19 19 TRP H H 19 8.781 8.781 7.814 0.967 18998
180 1 4 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.734 -0.177 18998
181 1 4 . 1 1 20 20 LEU H H 20 8.713 8.713 8.408 0.305 18998
182 1 4 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.375 -1.278 18998
183 1 4 . 1 1 21 21 CYS H H 21 8.047 8.047 8.935 -0.888 18998
184 1 4 . 1 1 22 22 THR HA H 22 4.434 4.434 4.214 0.220 18998
185 1 4 . 1 1 22 22 THR H H 22 9.382 9.382 8.763 0.619 18998
186 1 4 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.756 0.386 18998
187 1 4 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.316 -0.340 18998
188 1 4 . 1 1 25 25 ILE HA H 25 5.364 5.364 3.710 1.654 18998
189 1 4 . 1 1 25 25 ILE H H 25 7.997 7.997 7.901 0.096 18998
190 1 4 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.814 0.575 18998
191 1 4 . 1 1 26 26 ILE H H 26 7.824 7.824 7.890 -0.066 18998
192 1 4 . 1 1 27 27 GLY H H 27 7.701 7.701 7.811 -0.110 18998
193 1 4 . 1 1 28 28 PHE HA H 28 5.485 5.485 5.619 -0.134 18998
194 1 4 . 1 1 28 28 PHE H H 28 8.221 8.221 7.956 0.265 18998
195 1 4 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.358 0.487 18998
196 1 4 . 1 1 29 29 CYS H H 29 8.885 8.885 8.633 0.252 18998
197 1 5 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.885 0.276 18998
198 1 5 . 1 1 2 2 ILE H H 2 9.119 9.119 8.313 0.806 18998
199 1 5 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.350 0.646 18998
200 1 5 . 1 1 3 3 ALA H H 3 8.456 8.456 8.121 0.335 18998
201 1 5 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.490 -0.549 18998
202 1 5 . 1 1 4 4 HIS H H 4 8.397 8.397 8.346 0.051 18998
203 1 5 . 1 1 5 5 TYR HA H 5 4.819 4.819 2.967 1.852 18998
204 1 5 . 1 1 5 5 TYR H H 5 7.986 7.986 8.307 -0.321 18998
205 1 5 . 1 1 6 6 GLY H H 6 8.644 8.644 7.229 1.415 18998
206 1 5 . 1 1 7 7 LYS HA H 7 4.259 4.259 5.207 -0.948 18998
207 1 5 . 1 1 7 7 LYS H H 7 8.343 8.343 8.225 0.118 18998
208 1 5 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.493 0.356 18998
209 1 5 . 1 1 8 8 CYS H H 8 8.496 8.496 8.800 -0.304 18998
210 1 5 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.576 0.446 18998
211 1 5 . 1 1 9 9 ASP H H 9 8.434 8.434 8.031 0.403 18998
212 1 5 . 1 1 10 10 GLY H H 10 8.437 8.437 8.325 0.112 18998
213 1 5 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.813 0.319 18998
214 1 5 . 1 1 11 11 ILE H H 11 8.348 8.348 7.958 0.390 18998
215 1 5 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.145 0.510 18998
216 1 5 . 1 1 12 12 ILE H H 12 8.123 8.123 7.771 0.352 18998
217 1 5 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.813 -1.099 18998
218 1 5 . 1 1 13 13 ASN H H 13 9.607 9.607 8.004 1.603 18998
219 1 5 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.639 -0.105 18998
220 1 5 . 1 1 14 14 GLN H H 14 8.644 8.644 8.503 0.141 18998
221 1 5 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.521 0.356 18998
222 1 5 . 1 1 15 15 CYS H H 15 8.744 8.744 8.450 0.294 18998
223 1 5 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.057 0.564 18998
224 1 5 . 1 1 16 16 CYS H H 16 10.077 10.077 8.459 1.618 18998
225 1 5 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.881 0.653 18998
226 1 5 . 1 1 17 17 ASP H H 17 8.683 8.683 7.489 1.194 18998
227 1 5 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.510 0.230 18998
228 1 5 . 1 1 19 19 TRP H H 19 8.781 8.781 7.840 0.941 18998
229 1 5 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.837 -0.280 18998
230 1 5 . 1 1 20 20 LEU H H 20 8.713 8.713 8.546 0.167 18998
231 1 5 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.399 -1.302 18998
232 1 5 . 1 1 21 21 CYS H H 21 8.047 8.047 8.874 -0.827 18998
233 1 5 . 1 1 22 22 THR HA H 22 4.434 4.434 4.196 0.238 18998
234 1 5 . 1 1 22 22 THR H H 22 9.382 9.382 8.639 0.743 18998
235 1 5 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.650 0.492 18998
236 1 5 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.282 -0.306 18998
237 1 5 . 1 1 25 25 ILE HA H 25 5.364 5.364 3.663 1.701 18998
238 1 5 . 1 1 25 25 ILE H H 25 7.997 7.997 7.857 0.140 18998
239 1 5 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.613 0.776 18998
240 1 5 . 1 1 26 26 ILE H H 26 7.824 7.824 7.736 0.088 18998
241 1 5 . 1 1 27 27 GLY H H 27 7.701 7.701 7.608 0.093 18998
242 1 5 . 1 1 28 28 PHE HA H 28 5.485 5.485 5.574 -0.089 18998
243 1 5 . 1 1 28 28 PHE H H 28 8.221 8.221 7.818 0.403 18998
244 1 5 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.795 0.050 18998
245 1 5 . 1 1 29 29 CYS H H 29 8.885 8.885 8.891 -0.006 18998
246 1 6 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.582 0.579 18998
247 1 6 . 1 1 2 2 ILE H H 2 9.119 9.119 8.440 0.679 18998
248 1 6 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.431 0.565 18998
249 1 6 . 1 1 3 3 ALA H H 3 8.456 8.456 8.046 0.410 18998
250 1 6 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.556 -0.615 18998
251 1 6 . 1 1 4 4 HIS H H 4 8.397 8.397 8.390 0.007 18998
252 1 6 . 1 1 5 5 TYR HA H 5 4.819 4.819 4.113 0.706 18998
253 1 6 . 1 1 5 5 TYR H H 5 7.986 7.986 8.481 -0.495 18998
254 1 6 . 1 1 6 6 GLY H H 6 8.644 8.644 7.773 0.871 18998
255 1 6 . 1 1 7 7 LYS HA H 7 4.259 4.259 5.186 -0.927 18998
256 1 6 . 1 1 7 7 LYS H H 7 8.343 8.343 8.016 0.327 18998
257 1 6 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.229 0.620 18998
258 1 6 . 1 1 8 8 CYS H H 8 8.496 8.496 8.517 -0.021 18998
259 1 6 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.669 0.353 18998
260 1 6 . 1 1 9 9 ASP H H 9 8.434 8.434 7.803 0.631 18998
261 1 6 . 1 1 10 10 GLY H H 10 8.437 8.437 8.410 0.027 18998
262 1 6 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.861 0.271 18998
263 1 6 . 1 1 11 11 ILE H H 11 8.348 8.348 7.968 0.380 18998
264 1 6 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.234 0.421 18998
265 1 6 . 1 1 12 12 ILE H H 12 8.123 8.123 7.717 0.406 18998
266 1 6 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.816 -1.102 18998
267 1 6 . 1 1 13 13 ASN H H 13 9.607 9.607 7.976 1.631 18998
268 1 6 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.626 -0.092 18998
269 1 6 . 1 1 14 14 GLN H H 14 8.644 8.644 8.484 0.160 18998
270 1 6 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.521 0.356 18998
271 1 6 . 1 1 15 15 CYS H H 15 8.744 8.744 8.462 0.282 18998
272 1 6 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.092 0.529 18998
273 1 6 . 1 1 16 16 CYS H H 16 10.077 10.077 8.666 1.411 18998
274 1 6 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.826 0.708 18998
275 1 6 . 1 1 17 17 ASP H H 17 8.683 8.683 7.409 1.274 18998
276 1 6 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.468 0.272 18998
277 1 6 . 1 1 19 19 TRP H H 19 8.781 8.781 7.739 1.042 18998
278 1 6 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.933 -0.376 18998
279 1 6 . 1 1 20 20 LEU H H 20 8.713 8.713 8.180 0.533 18998
280 1 6 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.202 -1.105 18998
281 1 6 . 1 1 21 21 CYS H H 21 8.047 8.047 8.723 -0.676 18998
282 1 6 . 1 1 22 22 THR HA H 22 4.434 4.434 4.261 0.173 18998
283 1 6 . 1 1 22 22 THR H H 22 9.382 9.382 8.729 0.653 18998
284 1 6 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.704 0.438 18998
285 1 6 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.297 -0.321 18998
286 1 6 . 1 1 25 25 ILE HA H 25 5.364 5.364 3.791 1.573 18998
287 1 6 . 1 1 25 25 ILE H H 25 7.997 7.997 7.804 0.193 18998
288 1 6 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.863 0.526 18998
289 1 6 . 1 1 26 26 ILE H H 26 7.824 7.824 8.041 -0.217 18998
290 1 6 . 1 1 27 27 GLY H H 27 7.701 7.701 7.501 0.200 18998
291 1 6 . 1 1 28 28 PHE HA H 28 5.485 5.485 5.464 0.021 18998
292 1 6 . 1 1 28 28 PHE H H 28 8.221 8.221 7.826 0.395 18998
293 1 6 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.319 0.526 18998
294 1 6 . 1 1 29 29 CYS H H 29 8.885 8.885 8.469 0.416 18998
295 1 7 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.751 0.410 18998
296 1 7 . 1 1 2 2 ILE H H 2 9.119 9.119 8.350 0.769 18998
297 1 7 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.254 0.742 18998
298 1 7 . 1 1 3 3 ALA H H 3 8.456 8.456 8.094 0.362 18998
299 1 7 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.457 -0.516 18998
300 1 7 . 1 1 4 4 HIS H H 4 8.397 8.397 8.442 -0.045 18998
301 1 7 . 1 1 5 5 TYR HA H 5 4.819 4.819 3.242 1.577 18998
302 1 7 . 1 1 5 5 TYR H H 5 7.986 7.986 8.132 -0.146 18998
303 1 7 . 1 1 6 6 GLY H H 6 8.644 8.644 7.255 1.389 18998
304 1 7 . 1 1 7 7 LYS HA H 7 4.259 4.259 5.292 -1.033 18998
305 1 7 . 1 1 7 7 LYS H H 7 8.343 8.343 8.025 0.318 18998
306 1 7 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.329 0.520 18998
307 1 7 . 1 1 8 8 CYS H H 8 8.496 8.496 8.631 -0.135 18998
308 1 7 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.687 0.335 18998
309 1 7 . 1 1 9 9 ASP H H 9 8.434 8.434 7.840 0.594 18998
310 1 7 . 1 1 10 10 GLY H H 10 8.437 8.437 8.446 -0.009 18998
311 1 7 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.884 0.248 18998
312 1 7 . 1 1 11 11 ILE H H 11 8.348 8.348 8.174 0.174 18998
313 1 7 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.187 0.468 18998
314 1 7 . 1 1 12 12 ILE H H 12 8.123 8.123 7.708 0.415 18998
315 1 7 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.795 -1.081 18998
316 1 7 . 1 1 13 13 ASN H H 13 9.607 9.607 8.029 1.578 18998
317 1 7 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.651 -0.117 18998
318 1 7 . 1 1 14 14 GLN H H 14 8.644 8.644 8.567 0.077 18998
319 1 7 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.549 0.328 18998
320 1 7 . 1 1 15 15 CYS H H 15 8.744 8.744 8.554 0.190 18998
321 1 7 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.201 0.420 18998
322 1 7 . 1 1 16 16 CYS H H 16 10.077 10.077 8.849 1.228 18998
323 1 7 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.941 0.593 18998
324 1 7 . 1 1 17 17 ASP H H 17 8.683 8.683 7.938 0.745 18998
325 1 7 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.468 0.272 18998
326 1 7 . 1 1 19 19 TRP H H 19 8.781 8.781 7.980 0.801 18998
327 1 7 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.718 -0.161 18998
328 1 7 . 1 1 20 20 LEU H H 20 8.713 8.713 8.625 0.088 18998
329 1 7 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.223 -1.126 18998
330 1 7 . 1 1 21 21 CYS H H 21 8.047 8.047 8.971 -0.924 18998
331 1 7 . 1 1 22 22 THR HA H 22 4.434 4.434 4.272 0.162 18998
332 1 7 . 1 1 22 22 THR H H 22 9.382 9.382 8.780 0.602 18998
333 1 7 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.670 0.472 18998
334 1 7 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.279 -0.303 18998
335 1 7 . 1 1 25 25 ILE HA H 25 5.364 5.364 3.659 1.705 18998
336 1 7 . 1 1 25 25 ILE H H 25 7.997 7.997 7.710 0.287 18998
337 1 7 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.690 0.699 18998
338 1 7 . 1 1 26 26 ILE H H 26 7.824 7.824 7.847 -0.023 18998
339 1 7 . 1 1 27 27 GLY H H 27 7.701 7.701 7.581 0.120 18998
340 1 7 . 1 1 28 28 PHE HA H 28 5.485 5.485 5.493 -0.008 18998
341 1 7 . 1 1 28 28 PHE H H 28 8.221 8.221 7.826 0.395 18998
342 1 7 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.372 0.472 18998
343 1 7 . 1 1 29 29 CYS H H 29 8.885 8.885 8.869 0.016 18998
344 1 8 . 1 1 2 2 ILE HA H 2 4.161 4.161 3.923 0.238 18998
345 1 8 . 1 1 2 2 ILE H H 2 9.119 9.119 8.309 0.810 18998
346 1 8 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.238 0.758 18998
347 1 8 . 1 1 3 3 ALA H H 3 8.456 8.456 7.981 0.475 18998
348 1 8 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.500 -0.559 18998
349 1 8 . 1 1 4 4 HIS H H 4 8.397 8.397 8.399 -0.002 18998
350 1 8 . 1 1 5 5 TYR HA H 5 4.819 4.819 3.106 1.713 18998
351 1 8 . 1 1 5 5 TYR H H 5 7.986 7.986 8.337 -0.351 18998
352 1 8 . 1 1 6 6 GLY H H 6 8.644 8.644 7.255 1.389 18998
353 1 8 . 1 1 7 7 LYS HA H 7 4.259 4.259 5.337 -1.078 18998
354 1 8 . 1 1 7 7 LYS H H 7 8.343 8.343 7.992 0.351 18998
355 1 8 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.527 0.322 18998
356 1 8 . 1 1 8 8 CYS H H 8 8.496 8.496 8.836 -0.340 18998
357 1 8 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.489 0.533 18998
358 1 8 . 1 1 9 9 ASP H H 9 8.434 8.434 8.036 0.398 18998
359 1 8 . 1 1 10 10 GLY H H 10 8.437 8.437 8.442 -0.005 18998
360 1 8 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.810 0.322 18998
361 1 8 . 1 1 11 11 ILE H H 11 8.348 8.348 8.245 0.103 18998
362 1 8 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.170 0.485 18998
363 1 8 . 1 1 12 12 ILE H H 12 8.123 8.123 7.814 0.309 18998
364 1 8 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.809 -1.095 18998
365 1 8 . 1 1 13 13 ASN H H 13 9.607 9.607 8.014 1.593 18998
366 1 8 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.645 -0.111 18998
367 1 8 . 1 1 14 14 GLN H H 14 8.644 8.644 8.497 0.147 18998
368 1 8 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.551 0.326 18998
369 1 8 . 1 1 15 15 CYS H H 15 8.744 8.744 8.517 0.227 18998
370 1 8 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.103 0.518 18998
371 1 8 . 1 1 16 16 CYS H H 16 10.077 10.077 8.674 1.403 18998
372 1 8 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.872 0.662 18998
373 1 8 . 1 1 17 17 ASP H H 17 8.683 8.683 7.523 1.160 18998
374 1 8 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.456 0.284 18998
375 1 8 . 1 1 19 19 TRP H H 19 8.781 8.781 7.984 0.797 18998
376 1 8 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.761 -0.204 18998
377 1 8 . 1 1 20 20 LEU H H 20 8.713 8.713 8.432 0.281 18998
378 1 8 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.279 -1.182 18998
379 1 8 . 1 1 21 21 CYS H H 21 8.047 8.047 8.841 -0.794 18998
380 1 8 . 1 1 22 22 THR HA H 22 4.434 4.434 4.215 0.219 18998
381 1 8 . 1 1 22 22 THR H H 22 9.382 9.382 8.768 0.614 18998
382 1 8 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.649 0.493 18998
383 1 8 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.268 -0.292 18998
384 1 8 . 1 1 25 25 ILE HA H 25 5.364 5.364 3.683 1.681 18998
385 1 8 . 1 1 25 25 ILE H H 25 7.997 7.997 7.682 0.315 18998
386 1 8 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.676 0.713 18998
387 1 8 . 1 1 26 26 ILE H H 26 7.824 7.824 7.833 -0.009 18998
388 1 8 . 1 1 27 27 GLY H H 27 7.701 7.701 7.560 0.141 18998
389 1 8 . 1 1 28 28 PHE HA H 28 5.485 5.485 5.612 -0.127 18998
390 1 8 . 1 1 28 28 PHE H H 28 8.221 8.221 7.915 0.306 18998
391 1 8 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.799 0.046 18998
392 1 8 . 1 1 29 29 CYS H H 29 8.885 8.885 8.783 0.102 18998
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 18998
2 1 1 "Average Difference" HA 30 0.612 -0.176 0.596 18998
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18998
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18998
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18998
6 1 1 "Average Difference" HN 25 0.649 -0.366 0.547 18998
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18998
8 1 2 "Average Difference" HA 30 0.682 -0.240 0.649 18998
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18998
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18998
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18998
12 1 2 "Average Difference" HN 25 0.692 -0.415 0.566 18998
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18998
14 1 3 "Average Difference" HA 30 0.608 -0.167 0.595 18998
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18998
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18998
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18998
18 1 3 "Average Difference" HN 25 0.627 -0.360 0.524 18998
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18998
20 1 4 "Average Difference" HA 30 0.625 -0.193 0.605 18998
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18998
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18998
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18998
24 1 4 "Average Difference" HN 25 0.679 -0.363 0.586 18998
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18998
26 1 5 "Average Difference" HA 30 0.692 -0.211 0.671 18998
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18998
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18998
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18998
30 1 5 "Average Difference" HN 25 0.707 -0.398 0.596 18998
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18998
32 1 6 "Average Difference" HA 30 0.598 -0.182 0.580 18998
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18998
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18998
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18998
36 1 6 "Average Difference" HN 25 0.679 -0.421 0.544 18998
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18998
38 1 7 "Average Difference" HA 30 0.659 -0.219 0.632 18998
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18998
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18998
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18998
42 1 7 "Average Difference" HN 25 0.635 -0.355 0.537 18998
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18998
44 1 8 "Average Difference" HA 30 0.680 -0.210 0.658 18998
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18998
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18998
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18998
48 1 8 "Average Difference" HN 25 0.673 -0.377 0.569 18998
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 18998
_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 ILE HA H 2 4.161 4.161 3.717 0.444 18998
2 1 . 1 1 2 2 ILE H H 2 9.119 9.119 8.334 0.785 18998
3 1 . 1 1 3 3 ALA HA H 3 4.996 4.996 4.347 0.649 18998
4 1 . 1 1 3 3 ALA H H 3 8.456 8.456 8.051 0.405 18998
5 1 . 1 1 4 4 HIS HA H 4 3.941 3.941 4.547 -0.606 18998
6 1 . 1 1 4 4 HIS H H 4 8.397 8.397 8.453 -0.056 18998
7 1 . 1 1 5 5 TYR HA H 5 4.819 4.819 3.606 1.213 18998
8 1 . 1 1 5 5 TYR H H 5 7.986 7.986 8.388 -0.402 18998
9 1 . 1 1 6 6 GLY H H 6 8.644 8.644 7.536 1.108 18998
10 1 . 1 1 7 7 LYS HA H 7 4.259 4.259 5.238 -0.979 18998
11 1 . 1 1 7 7 LYS H H 7 8.343 8.343 8.118 0.225 18998
12 1 . 1 1 8 8 CYS HA H 8 4.849 4.849 4.366 0.483 18998
13 1 . 1 1 8 8 CYS H H 8 8.496 8.496 8.697 -0.201 18998
14 1 . 1 1 9 9 ASP HA H 9 5.022 5.022 4.618 0.404 18998
15 1 . 1 1 9 9 ASP H H 9 8.434 8.434 7.832 0.602 18998
16 1 . 1 1 10 10 GLY H H 10 8.437 8.437 8.356 0.081 18998
17 1 . 1 1 11 11 ILE HA H 11 4.132 4.132 3.843 0.289 18998
18 1 . 1 1 11 11 ILE H H 11 8.348 8.348 8.079 0.269 18998
19 1 . 1 1 12 12 ILE HA H 12 4.655 4.655 4.169 0.486 18998
20 1 . 1 1 12 12 ILE H H 12 8.123 8.123 7.745 0.378 18998
21 1 . 1 1 13 13 ASN HA H 13 3.714 3.714 4.813 -1.099 18998
22 1 . 1 1 13 13 ASN H H 13 9.607 9.607 8.035 1.572 18998
23 1 . 1 1 14 14 GLN HA H 14 4.534 4.534 4.632 -0.098 18998
24 1 . 1 1 14 14 GLN H H 14 8.644 8.644 8.515 0.129 18998
25 1 . 1 1 15 15 CYS HA H 15 4.877 4.877 4.534 0.343 18998
26 1 . 1 1 15 15 CYS H H 15 8.744 8.744 8.511 0.233 18998
27 1 . 1 1 16 16 CYS HA H 16 4.621 4.621 4.112 0.509 18998
28 1 . 1 1 16 16 CYS H H 16 10.077 10.077 8.683 1.394 18998
29 1 . 1 1 17 17 ASP HA H 17 5.534 5.534 4.879 0.655 18998
30 1 . 1 1 17 17 ASP H H 17 8.683 8.683 7.593 1.090 18998
31 1 . 1 1 19 19 TRP HA H 19 4.740 4.740 4.470 0.270 18998
32 1 . 1 1 19 19 TRP H H 19 8.781 8.781 7.818 0.963 18998
33 1 . 1 1 20 20 LEU HA H 20 4.557 4.557 4.791 -0.234 18998
34 1 . 1 1 20 20 LEU H H 20 8.713 8.713 8.418 0.295 18998
35 1 . 1 1 21 21 CYS HA H 21 4.097 4.097 5.290 -1.193 18998
36 1 . 1 1 21 21 CYS H H 21 8.047 8.047 8.836 -0.789 18998
37 1 . 1 1 22 22 THR HA H 22 4.434 4.434 4.243 0.191 18998
38 1 . 1 1 22 22 THR H H 22 9.382 9.382 8.743 0.638 18998
39 1 . 1 1 23 23 PRO HA H 23 5.142 5.142 4.701 0.441 18998
40 1 . 1 1 24 24 PRO HA H 24 3.976 3.976 4.288 -0.312 18998
41 1 . 1 1 25 25 ILE HA H 25 5.364 5.364 3.709 1.655 18998
42 1 . 1 1 25 25 ILE H H 25 7.997 7.997 7.785 0.212 18998
43 1 . 1 1 26 26 ILE HA H 26 4.389 4.389 3.748 0.641 18998
44 1 . 1 1 26 26 ILE H H 26 7.824 7.824 7.891 -0.067 18998
45 1 . 1 1 27 27 GLY H H 27 7.701 7.701 7.575 0.125 18998
46 1 . 1 1 28 28 PHE HA H 28 5.485 5.485 5.534 -0.049 18998
47 1 . 1 1 28 28 PHE H H 28 8.221 8.221 7.858 0.363 18998
48 1 . 1 1 29 29 CYS HA H 29 4.845 4.845 4.500 0.345 18998
49 1 . 1 1 29 29 CYS H H 29 8.885 8.885 8.690 0.195 18998
stop_
save_