data_25954
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25954
_Entry.PDB_ID 2NAY
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 25954
_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 CYS HA H 2 5.170 5.170 4.644 0.526 25954
2 1 1 . 1 1 2 2 CYS H H 2 7.978 7.978 8.638 -0.660 25954
3 1 1 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.816 -0.310 25954
4 1 1 . 1 1 3 3 CYS H H 3 8.415 8.415 8.036 0.379 25954
5 1 1 . 1 1 4 4 SER HA H 4 4.488 4.488 4.548 -0.060 25954
6 1 1 . 1 1 4 4 SER H H 4 7.721 7.721 7.627 0.094 25954
7 1 1 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.574 -0.430 25954
8 1 1 . 1 1 5 5 ASN H H 5 7.668 7.668 8.070 -0.402 25954
9 1 1 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.699 -0.620 25954
10 1 1 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.508 -0.460 25954
11 1 1 . 1 1 7 7 ALA H H 7 7.752 7.752 8.144 -0.392 25954
12 1 1 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.206 -0.027 25954
13 1 1 . 1 1 8 8 CYS H H 8 7.758 7.758 8.499 -0.741 25954
14 1 1 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.837 -0.359 25954
15 1 1 . 1 1 9 9 ILE H H 9 7.976 7.976 8.419 -0.443 25954
16 1 1 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.076 -0.131 25954
17 1 1 . 1 1 10 10 LEU H H 10 7.335 7.335 7.761 -0.426 25954
18 1 1 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.817 -0.261 25954
19 1 1 . 1 1 11 11 ASN H H 11 7.399 7.399 8.268 -0.869 25954
20 1 1 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.484 0.588 25954
21 1 1 . 1 1 12 12 ASN H H 12 7.695 7.695 8.183 -0.488 25954
22 1 1 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.421 -0.139 25954
23 1 1 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.573 -0.073 25954
24 1 1 . 1 1 14 14 ASN H H 14 8.448 8.448 7.971 0.477 25954
25 1 1 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.149 0.591 25954
26 1 1 . 1 1 15 15 GLN H H 15 7.823 7.823 8.318 -0.495 25954
27 1 2 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.655 0.515 25954
28 1 2 . 1 1 2 2 CYS H H 2 7.978 7.978 8.445 -0.467 25954
29 1 2 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.536 -0.030 25954
30 1 2 . 1 1 3 3 CYS H H 3 8.415 8.415 7.347 1.068 25954
31 1 2 . 1 1 4 4 SER HA H 4 4.488 4.488 4.391 0.097 25954
32 1 2 . 1 1 4 4 SER H H 4 7.721 7.721 8.367 -0.646 25954
33 1 2 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.906 -0.762 25954
34 1 2 . 1 1 5 5 ASN H H 5 7.668 7.668 8.131 -0.463 25954
35 1 2 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.617 -0.538 25954
36 1 2 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.239 -0.191 25954
37 1 2 . 1 1 7 7 ALA H H 7 7.752 7.752 7.896 -0.144 25954
38 1 2 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.102 0.077 25954
39 1 2 . 1 1 8 8 CYS H H 8 7.758 7.758 8.623 -0.865 25954
40 1 2 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.813 -0.335 25954
41 1 2 . 1 1 9 9 ILE H H 9 7.976 7.976 8.094 -0.118 25954
42 1 2 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.040 -0.095 25954
43 1 2 . 1 1 10 10 LEU H H 10 7.335 7.335 8.017 -0.682 25954
44 1 2 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.782 -0.226 25954
45 1 2 . 1 1 11 11 ASN H H 11 7.399 7.399 8.269 -0.870 25954
46 1 2 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.475 0.597 25954
47 1 2 . 1 1 12 12 ASN H H 12 7.695 7.695 8.299 -0.604 25954
48 1 2 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.435 -0.153 25954
49 1 2 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.598 -0.098 25954
50 1 2 . 1 1 14 14 ASN H H 14 8.448 8.448 7.964 0.484 25954
51 1 2 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.107 0.633 25954
52 1 2 . 1 1 15 15 GLN H H 15 7.823 7.823 8.287 -0.464 25954
53 1 3 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.195 0.975 25954
54 1 3 . 1 1 2 2 CYS H H 2 7.978 7.978 8.688 -0.710 25954
55 1 3 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.552 -0.046 25954
56 1 3 . 1 1 3 3 CYS H H 3 8.415 8.415 8.160 0.255 25954
57 1 3 . 1 1 4 4 SER HA H 4 4.488 4.488 4.491 -0.003 25954
58 1 3 . 1 1 4 4 SER H H 4 7.721 7.721 8.115 -0.394 25954
59 1 3 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.972 -0.828 25954
60 1 3 . 1 1 5 5 ASN H H 5 7.668 7.668 8.042 -0.374 25954
61 1 3 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.911 -0.832 25954
62 1 3 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.450 -0.402 25954
63 1 3 . 1 1 7 7 ALA H H 7 7.752 7.752 8.116 -0.364 25954
64 1 3 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.196 -0.017 25954
65 1 3 . 1 1 8 8 CYS H H 8 7.758 7.758 8.468 -0.710 25954
66 1 3 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.847 -0.369 25954
67 1 3 . 1 1 9 9 ILE H H 9 7.976 7.976 8.271 -0.295 25954
68 1 3 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.064 -0.119 25954
69 1 3 . 1 1 10 10 LEU H H 10 7.335 7.335 7.853 -0.518 25954
70 1 3 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.804 -0.248 25954
71 1 3 . 1 1 11 11 ASN H H 11 7.399 7.399 8.221 -0.822 25954
72 1 3 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.473 0.599 25954
73 1 3 . 1 1 12 12 ASN H H 12 7.695 7.695 8.263 -0.568 25954
74 1 3 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.393 -0.111 25954
75 1 3 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.674 -0.174 25954
76 1 3 . 1 1 14 14 ASN H H 14 8.448 8.448 8.392 0.056 25954
77 1 3 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.128 0.612 25954
78 1 3 . 1 1 15 15 GLN H H 15 7.823 7.823 7.665 0.158 25954
79 1 4 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.527 0.643 25954
80 1 4 . 1 1 2 2 CYS H H 2 7.978 7.978 8.589 -0.611 25954
81 1 4 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.475 0.031 25954
82 1 4 . 1 1 3 3 CYS H H 3 8.415 8.415 8.185 0.230 25954
83 1 4 . 1 1 4 4 SER HA H 4 4.488 4.488 4.405 0.083 25954
84 1 4 . 1 1 4 4 SER H H 4 7.721 7.721 7.832 -0.111 25954
85 1 4 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.836 -0.692 25954
86 1 4 . 1 1 5 5 ASN H H 5 7.668 7.668 8.294 -0.626 25954
87 1 4 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.920 -0.841 25954
88 1 4 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.534 -0.486 25954
89 1 4 . 1 1 7 7 ALA H H 7 7.752 7.752 8.061 -0.309 25954
90 1 4 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.213 -0.034 25954
91 1 4 . 1 1 8 8 CYS H H 8 7.758 7.758 8.089 -0.331 25954
92 1 4 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.834 -0.356 25954
93 1 4 . 1 1 9 9 ILE H H 9 7.976 7.976 8.218 -0.242 25954
94 1 4 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.050 -0.105 25954
95 1 4 . 1 1 10 10 LEU H H 10 7.335 7.335 8.105 -0.770 25954
96 1 4 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.835 -0.279 25954
97 1 4 . 1 1 11 11 ASN H H 11 7.399 7.399 8.176 -0.777 25954
98 1 4 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.500 0.572 25954
99 1 4 . 1 1 12 12 ASN H H 12 7.695 7.695 7.685 0.010 25954
100 1 4 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.498 -0.216 25954
101 1 4 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.602 -0.102 25954
102 1 4 . 1 1 14 14 ASN H H 14 8.448 8.448 7.972 0.476 25954
103 1 4 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.125 0.615 25954
104 1 4 . 1 1 15 15 GLN H H 15 7.823 7.823 8.366 -0.543 25954
105 1 5 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.598 0.572 25954
106 1 5 . 1 1 2 2 CYS H H 2 7.978 7.978 7.979 -0.001 25954
107 1 5 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.509 -0.003 25954
108 1 5 . 1 1 3 3 CYS H H 3 8.415 8.415 8.059 0.356 25954
109 1 5 . 1 1 4 4 SER HA H 4 4.488 4.488 4.490 -0.002 25954
110 1 5 . 1 1 4 4 SER H H 4 7.721 7.721 7.778 -0.057 25954
111 1 5 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.838 -0.694 25954
112 1 5 . 1 1 5 5 ASN H H 5 7.668 7.668 8.203 -0.535 25954
113 1 5 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.871 -0.792 25954
114 1 5 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.315 -0.267 25954
115 1 5 . 1 1 7 7 ALA H H 7 7.752 7.752 7.949 -0.197 25954
116 1 5 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.109 0.070 25954
117 1 5 . 1 1 8 8 CYS H H 8 7.758 7.758 8.640 -0.882 25954
118 1 5 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.807 -0.329 25954
119 1 5 . 1 1 9 9 ILE H H 9 7.976 7.976 8.138 -0.162 25954
120 1 5 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.008 -0.063 25954
121 1 5 . 1 1 10 10 LEU H H 10 7.335 7.335 7.841 -0.506 25954
122 1 5 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.846 -0.290 25954
123 1 5 . 1 1 11 11 ASN H H 11 7.399 7.399 8.208 -0.809 25954
124 1 5 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.531 0.541 25954
125 1 5 . 1 1 12 12 ASN H H 12 7.695 7.695 8.052 -0.357 25954
126 1 5 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.439 -0.157 25954
127 1 5 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.597 -0.097 25954
128 1 5 . 1 1 14 14 ASN H H 14 8.448 8.448 7.936 0.512 25954
129 1 5 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.166 0.574 25954
130 1 5 . 1 1 15 15 GLN H H 15 7.823 7.823 8.388 -0.565 25954
131 1 6 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.248 0.922 25954
132 1 6 . 1 1 2 2 CYS H H 2 7.978 7.978 7.960 0.018 25954
133 1 6 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.453 0.053 25954
134 1 6 . 1 1 3 3 CYS H H 3 8.415 8.415 8.376 0.039 25954
135 1 6 . 1 1 4 4 SER HA H 4 4.488 4.488 4.520 -0.032 25954
136 1 6 . 1 1 4 4 SER H H 4 7.721 7.721 7.767 -0.046 25954
137 1 6 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.914 -0.770 25954
138 1 6 . 1 1 5 5 ASN H H 5 7.668 7.668 8.003 -0.335 25954
139 1 6 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.918 -0.839 25954
140 1 6 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.484 -0.436 25954
141 1 6 . 1 1 7 7 ALA H H 7 7.752 7.752 8.068 -0.316 25954
142 1 6 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.197 -0.018 25954
143 1 6 . 1 1 8 8 CYS H H 8 7.758 7.758 8.425 -0.667 25954
144 1 6 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.911 -0.433 25954
145 1 6 . 1 1 9 9 ILE H H 9 7.976 7.976 8.064 -0.088 25954
146 1 6 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.089 -0.144 25954
147 1 6 . 1 1 10 10 LEU H H 10 7.335 7.335 7.655 -0.320 25954
148 1 6 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.723 -0.167 25954
149 1 6 . 1 1 11 11 ASN H H 11 7.399 7.399 7.626 -0.227 25954
150 1 6 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.550 0.522 25954
151 1 6 . 1 1 12 12 ASN H H 12 7.695 7.695 8.485 -0.790 25954
152 1 6 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.349 -0.067 25954
153 1 6 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.652 -0.152 25954
154 1 6 . 1 1 14 14 ASN H H 14 8.448 8.448 7.934 0.514 25954
155 1 6 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.020 0.720 25954
156 1 6 . 1 1 15 15 GLN H H 15 7.823 7.823 8.421 -0.598 25954
157 1 7 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.372 0.798 25954
158 1 7 . 1 1 2 2 CYS H H 2 7.978 7.978 7.883 0.095 25954
159 1 7 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.304 0.202 25954
160 1 7 . 1 1 3 3 CYS H H 3 8.415 8.415 8.186 0.229 25954
161 1 7 . 1 1 4 4 SER HA H 4 4.488 4.488 4.432 0.056 25954
162 1 7 . 1 1 4 4 SER H H 4 7.721 7.721 7.555 0.166 25954
163 1 7 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.986 -0.842 25954
164 1 7 . 1 1 5 5 ASN H H 5 7.668 7.668 8.490 -0.822 25954
165 1 7 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.804 -0.725 25954
166 1 7 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.445 -0.397 25954
167 1 7 . 1 1 7 7 ALA H H 7 7.752 7.752 8.094 -0.342 25954
168 1 7 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.146 0.033 25954
169 1 7 . 1 1 8 8 CYS H H 8 7.758 7.758 8.361 -0.603 25954
170 1 7 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.936 -0.458 25954
171 1 7 . 1 1 9 9 ILE H H 9 7.976 7.976 8.279 -0.303 25954
172 1 7 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.056 -0.111 25954
173 1 7 . 1 1 10 10 LEU H H 10 7.335 7.335 7.752 -0.417 25954
174 1 7 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.837 -0.281 25954
175 1 7 . 1 1 11 11 ASN H H 11 7.399 7.399 8.184 -0.785 25954
176 1 7 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.707 0.365 25954
177 1 7 . 1 1 12 12 ASN H H 12 7.695 7.695 8.029 -0.334 25954
178 1 7 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.397 -0.115 25954
179 1 7 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.818 -0.318 25954
180 1 7 . 1 1 14 14 ASN H H 14 8.448 8.448 8.244 0.204 25954
181 1 7 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.527 0.213 25954
182 1 7 . 1 1 15 15 GLN H H 15 7.823 7.823 8.327 -0.504 25954
183 1 8 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.417 0.753 25954
184 1 8 . 1 1 2 2 CYS H H 2 7.978 7.978 8.388 -0.410 25954
185 1 8 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.380 0.126 25954
186 1 8 . 1 1 3 3 CYS H H 3 8.415 8.415 8.300 0.115 25954
187 1 8 . 1 1 4 4 SER HA H 4 4.488 4.488 4.488 -0.000 25954
188 1 8 . 1 1 4 4 SER H H 4 7.721 7.721 8.104 -0.383 25954
189 1 8 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.966 -0.822 25954
190 1 8 . 1 1 5 5 ASN H H 5 7.668 7.668 8.000 -0.332 25954
191 1 8 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.926 -0.847 25954
192 1 8 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.409 -0.361 25954
193 1 8 . 1 1 7 7 ALA H H 7 7.752 7.752 8.041 -0.289 25954
194 1 8 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.187 -0.008 25954
195 1 8 . 1 1 8 8 CYS H H 8 7.758 7.758 8.533 -0.775 25954
196 1 8 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.796 -0.318 25954
197 1 8 . 1 1 9 9 ILE H H 9 7.976 7.976 8.197 -0.221 25954
198 1 8 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.012 -0.067 25954
199 1 8 . 1 1 10 10 LEU H H 10 7.335 7.335 7.975 -0.640 25954
200 1 8 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.837 -0.281 25954
201 1 8 . 1 1 11 11 ASN H H 11 7.399 7.399 8.209 -0.810 25954
202 1 8 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.474 0.598 25954
203 1 8 . 1 1 12 12 ASN H H 12 7.695 7.695 7.980 -0.285 25954
204 1 8 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.421 -0.139 25954
205 1 8 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.698 -0.198 25954
206 1 8 . 1 1 14 14 ASN H H 14 8.448 8.448 8.512 -0.064 25954
207 1 8 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.101 0.639 25954
208 1 8 . 1 1 15 15 GLN H H 15 7.823 7.823 7.817 0.006 25954
209 1 9 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.470 0.700 25954
210 1 9 . 1 1 2 2 CYS H H 2 7.978 7.978 8.244 -0.266 25954
211 1 9 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.548 -0.042 25954
212 1 9 . 1 1 3 3 CYS H H 3 8.415 8.415 8.379 0.036 25954
213 1 9 . 1 1 4 4 SER HA H 4 4.488 4.488 4.520 -0.032 25954
214 1 9 . 1 1 4 4 SER H H 4 7.721 7.721 8.066 -0.345 25954
215 1 9 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.917 -0.773 25954
216 1 9 . 1 1 5 5 ASN H H 5 7.668 7.668 8.130 -0.462 25954
217 1 9 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.928 -0.849 25954
218 1 9 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.305 -0.257 25954
219 1 9 . 1 1 7 7 ALA H H 7 7.752 7.752 7.886 -0.134 25954
220 1 9 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.119 0.060 25954
221 1 9 . 1 1 8 8 CYS H H 8 7.758 7.758 8.565 -0.807 25954
222 1 9 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.796 -0.318 25954
223 1 9 . 1 1 9 9 ILE H H 9 7.976 7.976 8.192 -0.216 25954
224 1 9 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.077 -0.132 25954
225 1 9 . 1 1 10 10 LEU H H 10 7.335 7.335 7.937 -0.602 25954
226 1 9 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.768 -0.212 25954
227 1 9 . 1 1 11 11 ASN H H 11 7.399 7.399 8.195 -0.796 25954
228 1 9 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.515 0.557 25954
229 1 9 . 1 1 12 12 ASN H H 12 7.695 7.695 8.063 -0.368 25954
230 1 9 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.537 -0.255 25954
231 1 9 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.753 -0.253 25954
232 1 9 . 1 1 14 14 ASN H H 14 8.448 8.448 8.060 0.388 25954
233 1 9 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.496 0.244 25954
234 1 9 . 1 1 15 15 GLN H H 15 7.823 7.823 8.020 -0.197 25954
235 1 10 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.475 0.695 25954
236 1 10 . 1 1 2 2 CYS H H 2 7.978 7.978 8.090 -0.112 25954
237 1 10 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.500 0.006 25954
238 1 10 . 1 1 3 3 CYS H H 3 8.415 8.415 8.216 0.199 25954
239 1 10 . 1 1 4 4 SER HA H 4 4.488 4.488 4.667 -0.179 25954
240 1 10 . 1 1 4 4 SER H H 4 7.721 7.721 7.993 -0.272 25954
241 1 10 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.966 -0.822 25954
242 1 10 . 1 1 5 5 ASN H H 5 7.668 7.668 7.974 -0.306 25954
243 1 10 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.918 -0.839 25954
244 1 10 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.475 -0.427 25954
245 1 10 . 1 1 7 7 ALA H H 7 7.752 7.752 8.123 -0.371 25954
246 1 10 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.157 0.022 25954
247 1 10 . 1 1 8 8 CYS H H 8 7.758 7.758 8.372 -0.614 25954
248 1 10 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.852 -0.374 25954
249 1 10 . 1 1 9 9 ILE H H 9 7.976 7.976 8.108 -0.132 25954
250 1 10 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.119 -0.174 25954
251 1 10 . 1 1 10 10 LEU H H 10 7.335 7.335 7.682 -0.347 25954
252 1 10 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.784 -0.228 25954
253 1 10 . 1 1 11 11 ASN H H 11 7.399 7.399 8.219 -0.820 25954
254 1 10 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.521 0.551 25954
255 1 10 . 1 1 12 12 ASN H H 12 7.695 7.695 8.256 -0.561 25954
256 1 10 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.382 -0.100 25954
257 1 10 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.563 -0.063 25954
258 1 10 . 1 1 14 14 ASN H H 14 8.448 8.448 8.030 0.418 25954
259 1 10 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.175 0.565 25954
260 1 10 . 1 1 15 15 GLN H H 15 7.823 7.823 8.403 -0.580 25954
261 1 11 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.491 0.679 25954
262 1 11 . 1 1 2 2 CYS H H 2 7.978 7.978 8.004 -0.026 25954
263 1 11 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.454 0.052 25954
264 1 11 . 1 1 3 3 CYS H H 3 8.415 8.415 8.154 0.261 25954
265 1 11 . 1 1 4 4 SER HA H 4 4.488 4.488 4.463 0.024 25954
266 1 11 . 1 1 4 4 SER H H 4 7.721 7.721 8.081 -0.360 25954
267 1 11 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.975 -0.831 25954
268 1 11 . 1 1 5 5 ASN H H 5 7.668 7.668 8.350 -0.682 25954
269 1 11 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.907 -0.828 25954
270 1 11 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.506 -0.458 25954
271 1 11 . 1 1 7 7 ALA H H 7 7.752 7.752 8.059 -0.307 25954
272 1 11 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.128 0.051 25954
273 1 11 . 1 1 8 8 CYS H H 8 7.758 7.758 8.478 -0.720 25954
274 1 11 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.792 -0.314 25954
275 1 11 . 1 1 9 9 ILE H H 9 7.976 7.976 8.075 -0.099 25954
276 1 11 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.078 -0.133 25954
277 1 11 . 1 1 10 10 LEU H H 10 7.335 7.335 7.772 -0.437 25954
278 1 11 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.671 -0.115 25954
279 1 11 . 1 1 11 11 ASN H H 11 7.399 7.399 8.018 -0.619 25954
280 1 11 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.523 0.549 25954
281 1 11 . 1 1 12 12 ASN H H 12 7.695 7.695 8.398 -0.703 25954
282 1 11 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.480 -0.198 25954
283 1 11 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.789 -0.289 25954
284 1 11 . 1 1 14 14 ASN H H 14 8.448 8.448 8.297 0.150 25954
285 1 11 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.441 0.299 25954
286 1 11 . 1 1 15 15 GLN H H 15 7.823 7.823 8.420 -0.597 25954
287 1 12 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.563 0.607 25954
288 1 12 . 1 1 2 2 CYS H H 2 7.978 7.978 8.542 -0.564 25954
289 1 12 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.626 -0.120 25954
290 1 12 . 1 1 3 3 CYS H H 3 8.415 8.415 8.096 0.319 25954
291 1 12 . 1 1 4 4 SER HA H 4 4.488 4.488 4.497 -0.009 25954
292 1 12 . 1 1 4 4 SER H H 4 7.721 7.721 7.975 -0.254 25954
293 1 12 . 1 1 5 5 ASN HA H 5 4.144 4.144 5.001 -0.857 25954
294 1 12 . 1 1 5 5 ASN H H 5 7.668 7.668 8.094 -0.426 25954
295 1 12 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.784 -0.705 25954
296 1 12 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.210 -0.162 25954
297 1 12 . 1 1 7 7 ALA H H 7 7.752 7.752 8.400 -0.648 25954
298 1 12 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.054 0.125 25954
299 1 12 . 1 1 8 8 CYS H H 8 7.758 7.758 8.288 -0.530 25954
300 1 12 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.806 -0.328 25954
301 1 12 . 1 1 9 9 ILE H H 9 7.976 7.976 7.815 0.161 25954
302 1 12 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.131 -0.186 25954
303 1 12 . 1 1 10 10 LEU H H 10 7.335 7.335 7.845 -0.510 25954
304 1 12 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.819 -0.263 25954
305 1 12 . 1 1 11 11 ASN H H 11 7.399 7.399 7.829 -0.430 25954
306 1 12 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.521 0.551 25954
307 1 12 . 1 1 12 12 ASN H H 12 7.695 7.695 8.480 -0.785 25954
308 1 12 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.343 -0.061 25954
309 1 12 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.707 -0.207 25954
310 1 12 . 1 1 14 14 ASN H H 14 8.448 8.448 7.774 0.674 25954
311 1 12 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.118 0.622 25954
312 1 12 . 1 1 15 15 GLN H H 15 7.823 7.823 7.970 -0.147 25954
313 1 13 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.568 0.602 25954
314 1 13 . 1 1 2 2 CYS H H 2 7.978 7.978 8.003 -0.025 25954
315 1 13 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.591 -0.085 25954
316 1 13 . 1 1 3 3 CYS H H 3 8.415 8.415 8.210 0.205 25954
317 1 13 . 1 1 4 4 SER HA H 4 4.488 4.488 4.430 0.058 25954
318 1 13 . 1 1 4 4 SER H H 4 7.721 7.721 7.875 -0.154 25954
319 1 13 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.960 -0.816 25954
320 1 13 . 1 1 5 5 ASN H H 5 7.668 7.668 8.105 -0.437 25954
321 1 13 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.915 -0.836 25954
322 1 13 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.513 -0.465 25954
323 1 13 . 1 1 7 7 ALA H H 7 7.752 7.752 7.937 -0.185 25954
324 1 13 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.269 -0.090 25954
325 1 13 . 1 1 8 8 CYS H H 8 7.758 7.758 8.329 -0.571 25954
326 1 13 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.922 -0.444 25954
327 1 13 . 1 1 9 9 ILE H H 9 7.976 7.976 8.232 -0.256 25954
328 1 13 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.228 -0.283 25954
329 1 13 . 1 1 10 10 LEU H H 10 7.335 7.335 7.874 -0.539 25954
330 1 13 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.681 -0.125 25954
331 1 13 . 1 1 11 11 ASN H H 11 7.399 7.399 8.263 -0.864 25954
332 1 13 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.523 0.549 25954
333 1 13 . 1 1 12 12 ASN H H 12 7.695 7.695 8.535 -0.840 25954
334 1 13 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.570 -0.288 25954
335 1 13 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.623 -0.123 25954
336 1 13 . 1 1 14 14 ASN H H 14 8.448 8.448 8.027 0.421 25954
337 1 13 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.189 0.551 25954
338 1 13 . 1 1 15 15 GLN H H 15 7.823 7.823 8.490 -0.667 25954
339 1 14 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.581 0.589 25954
340 1 14 . 1 1 2 2 CYS H H 2 7.978 7.978 8.584 -0.606 25954
341 1 14 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.422 0.084 25954
342 1 14 . 1 1 3 3 CYS H H 3 8.415 8.415 8.171 0.244 25954
343 1 14 . 1 1 4 4 SER HA H 4 4.488 4.488 4.438 0.050 25954
344 1 14 . 1 1 4 4 SER H H 4 7.721 7.721 7.854 -0.133 25954
345 1 14 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.958 -0.814 25954
346 1 14 . 1 1 5 5 ASN H H 5 7.668 7.668 8.317 -0.649 25954
347 1 14 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.912 -0.833 25954
348 1 14 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.447 -0.399 25954
349 1 14 . 1 1 7 7 ALA H H 7 7.752 7.752 8.087 -0.335 25954
350 1 14 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.170 0.009 25954
351 1 14 . 1 1 8 8 CYS H H 8 7.758 7.758 8.498 -0.740 25954
352 1 14 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.853 -0.375 25954
353 1 14 . 1 1 9 9 ILE H H 9 7.976 7.976 8.259 -0.283 25954
354 1 14 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.187 -0.242 25954
355 1 14 . 1 1 10 10 LEU H H 10 7.335 7.335 7.875 -0.540 25954
356 1 14 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.710 -0.154 25954
357 1 14 . 1 1 11 11 ASN H H 11 7.399 7.399 8.090 -0.691 25954
358 1 14 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.504 0.568 25954
359 1 14 . 1 1 12 12 ASN H H 12 7.695 7.695 8.647 -0.952 25954
360 1 14 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.362 -0.080 25954
361 1 14 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.573 -0.073 25954
362 1 14 . 1 1 14 14 ASN H H 14 8.448 8.448 7.954 0.494 25954
363 1 14 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.220 0.520 25954
364 1 14 . 1 1 15 15 GLN H H 15 7.823 7.823 8.244 -0.421 25954
365 1 15 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.685 0.485 25954
366 1 15 . 1 1 2 2 CYS H H 2 7.978 7.978 8.397 -0.419 25954
367 1 15 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.452 0.054 25954
368 1 15 . 1 1 3 3 CYS H H 3 8.415 8.415 8.293 0.122 25954
369 1 15 . 1 1 4 4 SER HA H 4 4.488 4.488 4.537 -0.049 25954
370 1 15 . 1 1 4 4 SER H H 4 7.721 7.721 7.989 -0.268 25954
371 1 15 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.966 -0.822 25954
372 1 15 . 1 1 5 5 ASN H H 5 7.668 7.668 8.291 -0.623 25954
373 1 15 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.921 -0.842 25954
374 1 15 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.481 -0.433 25954
375 1 15 . 1 1 7 7 ALA H H 7 7.752 7.752 8.106 -0.354 25954
376 1 15 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.208 -0.029 25954
377 1 15 . 1 1 8 8 CYS H H 8 7.758 7.758 8.484 -0.726 25954
378 1 15 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.838 -0.360 25954
379 1 15 . 1 1 9 9 ILE H H 9 7.976 7.976 8.392 -0.416 25954
380 1 15 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.062 -0.117 25954
381 1 15 . 1 1 10 10 LEU H H 10 7.335 7.335 7.765 -0.430 25954
382 1 15 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.829 -0.273 25954
383 1 15 . 1 1 11 11 ASN H H 11 7.399 7.399 8.320 -0.921 25954
384 1 15 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.482 0.590 25954
385 1 15 . 1 1 12 12 ASN H H 12 7.695 7.695 8.043 -0.348 25954
386 1 15 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.462 -0.180 25954
387 1 15 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.724 -0.224 25954
388 1 15 . 1 1 14 14 ASN H H 14 8.448 8.448 8.212 0.236 25954
389 1 15 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.428 0.312 25954
390 1 15 . 1 1 15 15 GLN H H 15 7.823 7.823 7.815 0.008 25954
391 1 16 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.512 0.658 25954
392 1 16 . 1 1 2 2 CYS H H 2 7.978 7.978 8.131 -0.153 25954
393 1 16 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.523 -0.017 25954
394 1 16 . 1 1 3 3 CYS H H 3 8.415 8.415 8.241 0.174 25954
395 1 16 . 1 1 4 4 SER HA H 4 4.488 4.488 4.493 -0.005 25954
396 1 16 . 1 1 4 4 SER H H 4 7.721 7.721 7.695 0.026 25954
397 1 16 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.894 -0.750 25954
398 1 16 . 1 1 5 5 ASN H H 5 7.668 7.668 8.307 -0.639 25954
399 1 16 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.557 -0.478 25954
400 1 16 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.345 -0.297 25954
401 1 16 . 1 1 7 7 ALA H H 7 7.752 7.752 7.795 -0.043 25954
402 1 16 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.109 0.070 25954
403 1 16 . 1 1 8 8 CYS H H 8 7.758 7.758 8.528 -0.770 25954
404 1 16 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.808 -0.330 25954
405 1 16 . 1 1 9 9 ILE H H 9 7.976 7.976 8.130 -0.154 25954
406 1 16 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.098 -0.153 25954
407 1 16 . 1 1 10 10 LEU H H 10 7.335 7.335 7.891 -0.556 25954
408 1 16 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.824 -0.268 25954
409 1 16 . 1 1 11 11 ASN H H 11 7.399 7.399 8.136 -0.737 25954
410 1 16 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.460 0.612 25954
411 1 16 . 1 1 12 12 ASN H H 12 7.695 7.695 8.408 -0.713 25954
412 1 16 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.395 -0.113 25954
413 1 16 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.579 -0.079 25954
414 1 16 . 1 1 14 14 ASN H H 14 8.448 8.448 7.985 0.463 25954
415 1 16 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.186 0.554 25954
416 1 16 . 1 1 15 15 GLN H H 15 7.823 7.823 8.380 -0.557 25954
417 1 17 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.507 0.663 25954
418 1 17 . 1 1 2 2 CYS H H 2 7.978 7.978 8.040 -0.062 25954
419 1 17 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.601 -0.095 25954
420 1 17 . 1 1 3 3 CYS H H 3 8.415 8.415 7.882 0.533 25954
421 1 17 . 1 1 4 4 SER HA H 4 4.488 4.488 4.497 -0.009 25954
422 1 17 . 1 1 4 4 SER H H 4 7.721 7.721 7.947 -0.226 25954
423 1 17 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.640 -0.496 25954
424 1 17 . 1 1 5 5 ASN H H 5 7.668 7.668 8.214 -0.546 25954
425 1 17 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.754 -0.675 25954
426 1 17 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.469 -0.421 25954
427 1 17 . 1 1 7 7 ALA H H 7 7.752 7.752 8.026 -0.274 25954
428 1 17 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.232 -0.053 25954
429 1 17 . 1 1 8 8 CYS H H 8 7.758 7.758 8.463 -0.705 25954
430 1 17 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.828 -0.350 25954
431 1 17 . 1 1 9 9 ILE H H 9 7.976 7.976 8.216 -0.240 25954
432 1 17 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.035 -0.090 25954
433 1 17 . 1 1 10 10 LEU H H 10 7.335 7.335 7.876 -0.541 25954
434 1 17 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.732 -0.176 25954
435 1 17 . 1 1 11 11 ASN H H 11 7.399 7.399 8.061 -0.662 25954
436 1 17 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.504 0.568 25954
437 1 17 . 1 1 12 12 ASN H H 12 7.695 7.695 8.071 -0.376 25954
438 1 17 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.478 -0.196 25954
439 1 17 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.580 -0.080 25954
440 1 17 . 1 1 14 14 ASN H H 14 8.448 8.448 7.928 0.520 25954
441 1 17 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.171 0.569 25954
442 1 17 . 1 1 15 15 GLN H H 15 7.823 7.823 8.325 -0.502 25954
443 1 18 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.612 0.558 25954
444 1 18 . 1 1 2 2 CYS H H 2 7.978 7.978 8.599 -0.621 25954
445 1 18 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.597 -0.091 25954
446 1 18 . 1 1 3 3 CYS H H 3 8.415 8.415 7.803 0.612 25954
447 1 18 . 1 1 4 4 SER HA H 4 4.488 4.488 4.559 -0.071 25954
448 1 18 . 1 1 4 4 SER H H 4 7.721 7.721 7.924 -0.203 25954
449 1 18 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.594 -0.450 25954
450 1 18 . 1 1 5 5 ASN H H 5 7.668 7.668 8.323 -0.655 25954
451 1 18 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.735 -0.656 25954
452 1 18 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.461 -0.413 25954
453 1 18 . 1 1 7 7 ALA H H 7 7.752 7.752 8.043 -0.291 25954
454 1 18 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.267 -0.088 25954
455 1 18 . 1 1 8 8 CYS H H 8 7.758 7.758 8.290 -0.532 25954
456 1 18 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.842 -0.364 25954
457 1 18 . 1 1 9 9 ILE H H 9 7.976 7.976 8.273 -0.297 25954
458 1 18 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.031 -0.086 25954
459 1 18 . 1 1 10 10 LEU H H 10 7.335 7.335 8.051 -0.716 25954
460 1 18 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.881 -0.325 25954
461 1 18 . 1 1 11 11 ASN H H 11 7.399 7.399 8.044 -0.645 25954
462 1 18 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.462 0.610 25954
463 1 18 . 1 1 12 12 ASN H H 12 7.695 7.695 7.922 -0.227 25954
464 1 18 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.532 -0.250 25954
465 1 18 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.580 -0.080 25954
466 1 18 . 1 1 14 14 ASN H H 14 8.448 8.448 7.982 0.466 25954
467 1 18 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.133 0.607 25954
468 1 18 . 1 1 15 15 GLN H H 15 7.823 7.823 8.361 -0.538 25954
469 1 19 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.445 0.725 25954
470 1 19 . 1 1 2 2 CYS H H 2 7.978 7.978 8.507 -0.529 25954
471 1 19 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.658 -0.152 25954
472 1 19 . 1 1 3 3 CYS H H 3 8.415 8.415 8.171 0.244 25954
473 1 19 . 1 1 4 4 SER HA H 4 4.488 4.488 4.499 -0.011 25954
474 1 19 . 1 1 4 4 SER H H 4 7.721 7.721 7.587 0.134 25954
475 1 19 . 1 1 5 5 ASN HA H 5 4.144 4.144 5.016 -0.872 25954
476 1 19 . 1 1 5 5 ASN H H 5 7.668 7.668 8.480 -0.812 25954
477 1 19 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.840 -0.761 25954
478 1 19 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.452 -0.404 25954
479 1 19 . 1 1 7 7 ALA H H 7 7.752 7.752 8.046 -0.294 25954
480 1 19 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.151 0.028 25954
481 1 19 . 1 1 8 8 CYS H H 8 7.758 7.758 8.327 -0.569 25954
482 1 19 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.794 -0.316 25954
483 1 19 . 1 1 9 9 ILE H H 9 7.976 7.976 8.142 -0.166 25954
484 1 19 . 1 1 10 10 LEU HA H 10 3.945 3.945 3.996 -0.051 25954
485 1 19 . 1 1 10 10 LEU H H 10 7.335 7.335 7.841 -0.506 25954
486 1 19 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.789 -0.233 25954
487 1 19 . 1 1 11 11 ASN H H 11 7.399 7.399 7.922 -0.523 25954
488 1 19 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.463 0.609 25954
489 1 19 . 1 1 12 12 ASN H H 12 7.695 7.695 8.144 -0.449 25954
490 1 19 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.450 -0.168 25954
491 1 19 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.581 -0.081 25954
492 1 19 . 1 1 14 14 ASN H H 14 8.448 8.448 7.980 0.468 25954
493 1 19 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.170 0.570 25954
494 1 19 . 1 1 15 15 GLN H H 15 7.823 7.823 8.352 -0.529 25954
495 1 20 . 1 1 2 2 CYS HA H 2 5.170 5.170 4.241 0.929 25954
496 1 20 . 1 1 2 2 CYS H H 2 7.978 7.978 8.508 -0.530 25954
497 1 20 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.330 0.176 25954
498 1 20 . 1 1 3 3 CYS H H 3 8.415 8.415 8.239 0.176 25954
499 1 20 . 1 1 4 4 SER HA H 4 4.488 4.488 4.458 0.030 25954
500 1 20 . 1 1 4 4 SER H H 4 7.721 7.721 8.136 -0.415 25954
501 1 20 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.932 -0.788 25954
502 1 20 . 1 1 5 5 ASN H H 5 7.668 7.668 8.151 -0.483 25954
503 1 20 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.905 -0.826 25954
504 1 20 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.493 -0.445 25954
505 1 20 . 1 1 7 7 ALA H H 7 7.752 7.752 8.114 -0.362 25954
506 1 20 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.159 0.020 25954
507 1 20 . 1 1 8 8 CYS H H 8 7.758 7.758 8.105 -0.347 25954
508 1 20 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.851 -0.373 25954
509 1 20 . 1 1 9 9 ILE H H 9 7.976 7.976 8.182 -0.206 25954
510 1 20 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.117 -0.172 25954
511 1 20 . 1 1 10 10 LEU H H 10 7.335 7.335 8.161 -0.826 25954
512 1 20 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.764 -0.208 25954
513 1 20 . 1 1 11 11 ASN H H 11 7.399 7.399 7.706 -0.307 25954
514 1 20 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.543 0.529 25954
515 1 20 . 1 1 12 12 ASN H H 12 7.695 7.695 8.604 -0.909 25954
516 1 20 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.335 -0.053 25954
517 1 20 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.614 -0.114 25954
518 1 20 . 1 1 14 14 ASN H H 14 8.448 8.448 7.918 0.530 25954
519 1 20 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.127 0.613 25954
520 1 20 . 1 1 15 15 GLN H H 15 7.823 7.823 8.060 -0.237 25954
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 25954
2 1 1 "Average Difference" HA 14 0.387 0.083 0.392 25954
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25954
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25954
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25954
6 1 1 "Average Difference" HN 12 0.524 0.330 0.425 25954
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25954
8 1 2 "Average Difference" HA 14 0.392 0.036 0.405 25954
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25954
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25954
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25954
12 1 2 "Average Difference" HN 12 0.633 0.314 0.574 25954
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25954
14 1 3 "Average Difference" HA 14 0.499 0.069 0.513 25954
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25954
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25954
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25954
18 1 3 "Average Difference" HN 12 0.490 0.357 0.350 25954
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25954
20 1 4 "Average Difference" HA 14 0.449 0.083 0.458 25954
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25954
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25954
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25954
24 1 4 "Average Difference" HN 12 0.484 0.300 0.397 25954
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25954
26 1 5 "Average Difference" HA 14 0.411 0.067 0.421 25954
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25954
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25954
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25954
30 1 5 "Average Difference" HN 12 0.490 0.267 0.429 25954
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25954
32 1 6 "Average Difference" HA 14 0.493 0.060 0.507 25954
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25954
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25954
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25954
36 1 6 "Average Difference" HN 12 0.415 0.235 0.358 25954
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25954
38 1 7 "Average Difference" HA 14 0.437 0.113 0.438 25954
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25954
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25954
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25954
42 1 7 "Average Difference" HN 12 0.459 0.285 0.377 25954
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25954
44 1 8 "Average Difference" HA 14 0.472 0.066 0.485 25954
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25954
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25954
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25954
48 1 8 "Average Difference" HN 12 0.440 0.341 0.291 25954
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25954
50 1 9 "Average Difference" HA 14 0.426 0.112 0.427 25954
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25954
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25954
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25954
54 1 9 "Average Difference" HN 12 0.451 0.314 0.338 25954
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25954
56 1 10 "Average Difference" HA 14 0.458 0.098 0.464 25954
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25954
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25954
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25954
60 1 10 "Average Difference" HN 12 0.445 0.292 0.350 25954
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25954
62 1 11 "Average Difference" HA 14 0.439 0.108 0.441 25954
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25954
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25954
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25954
66 1 11 "Average Difference" HN 12 0.477 0.345 0.345 25954
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25954
68 1 12 "Average Difference" HA 14 0.431 0.071 0.442 25954
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25954
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25954
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25954
72 1 12 "Average Difference" HN 12 0.494 0.262 0.438 25954
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25954
74 1 13 "Average Difference" HA 14 0.460 0.128 0.458 25954
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25954
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25954
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25954
78 1 13 "Average Difference" HN 12 0.504 0.326 0.401 25954
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25954
80 1 14 "Average Difference" HA 14 0.439 0.082 0.448 25954
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25954
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25954
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25954
84 1 14 "Average Difference" HN 12 0.555 0.384 0.419 25954
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25954
86 1 15 "Average Difference" HA 14 0.428 0.135 0.421 25954
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25954
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25954
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25954
90 1 15 "Average Difference" HN 12 0.473 0.345 0.338 25954
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25954
92 1 16 "Average Difference" HA 14 0.398 0.042 0.411 25954
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25954
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25954
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25954
96 1 16 "Average Difference" HN 12 0.497 0.305 0.410 25954
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25954
98 1 17 "Average Difference" HA 14 0.395 0.060 0.405 25954
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25954
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25954
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25954
102 1 17 "Average Difference" HN 12 0.471 0.257 0.412 25954
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25954
104 1 18 "Average Difference" HA 14 0.396 0.078 0.402 25954
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25954
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25954
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25954
108 1 18 "Average Difference" HN 12 0.514 0.304 0.433 25954
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25954
110 1 19 "Average Difference" HA 14 0.458 0.080 0.468 25954
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25954
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25954
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25954
114 1 19 "Average Difference" HN 12 0.473 0.294 0.387 25954
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25954
116 1 20 "Average Difference" HA 14 0.484 0.049 0.500 25954
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25954
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25954
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25954
120 1 20 "Average Difference" HN 12 0.496 0.326 0.390 25954
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 25954
_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 CYS HA H 2 5.170 5.170 4.490 0.680 25954
2 1 . 1 1 2 2 CYS H H 2 7.978 7.978 8.311 -0.333 25954
3 1 . 1 1 3 3 CYS HA H 3 4.506 4.506 4.516 -0.010 25954
4 1 . 1 1 3 3 CYS H H 3 8.415 8.415 8.125 0.290 25954
5 1 . 1 1 4 4 SER HA H 4 4.488 4.488 4.491 -0.003 25954
6 1 . 1 1 4 4 SER H H 4 7.721 7.721 7.913 -0.192 25954
7 1 . 1 1 5 5 ASN HA H 5 4.144 4.144 4.891 -0.747 25954
8 1 . 1 1 5 5 ASN H H 5 7.668 7.668 8.198 -0.530 25954
9 1 . 1 1 6 6 PRO HA H 6 4.079 4.079 4.837 -0.758 25954
10 1 . 1 1 7 7 ALA HA H 7 4.048 4.048 4.427 -0.379 25954
11 1 . 1 1 7 7 ALA H H 7 7.752 7.752 8.050 -0.298 25954
12 1 . 1 1 8 8 CYS HA H 8 4.179 4.179 4.169 0.010 25954
13 1 . 1 1 8 8 CYS H H 8 7.758 7.758 8.418 -0.660 25954
14 1 . 1 1 9 9 ILE HA H 9 3.478 3.478 3.838 -0.360 25954
15 1 . 1 1 9 9 ILE H H 9 7.976 7.976 8.185 -0.209 25954
16 1 . 1 1 10 10 LEU HA H 10 3.945 3.945 4.078 -0.133 25954
17 1 . 1 1 10 10 LEU H H 10 7.335 7.335 7.876 -0.541 25954
18 1 . 1 1 11 11 ASN HA H 11 4.556 4.556 4.787 -0.231 25954
19 1 . 1 1 11 11 ASN H H 11 7.399 7.399 8.098 -0.699 25954
20 1 . 1 1 12 12 ASN HA H 12 5.072 5.072 4.511 0.561 25954
21 1 . 1 1 12 12 ASN H H 12 7.695 7.695 8.227 -0.532 25954
22 1 . 1 1 13 13 PRO HA H 13 4.282 4.282 4.434 -0.152 25954
23 1 . 1 1 14 14 ASN HA H 14 4.500 4.500 4.644 -0.144 25954
24 1 . 1 1 14 14 ASN H H 14 8.448 8.448 8.054 0.394 25954
25 1 . 1 1 15 15 GLN HA H 15 4.740 4.740 4.209 0.531 25954
26 1 . 1 1 15 15 GLN H H 15 7.823 7.823 8.221 -0.398 25954
stop_
save_