data_25424
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25424
_Entry.PDB_ID 2MXQ
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 25424
_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 5.938 5.938 4.802 1.136 25424
2 1 1 . 1 1 2 2 CYS H H 2 9.170 9.170 7.717 1.453 25424
3 1 1 . 1 1 3 3 THR HA H 3 4.383 4.383 4.380 0.003 25424
4 1 1 . 1 1 3 3 THR H H 3 9.174 9.174 7.711 1.463 25424
5 1 1 . 1 1 4 4 CYS H H 4 9.317 9.317 8.713 0.604 25424
6 1 1 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.690 -0.064 25424
7 1 1 . 1 1 5 5 ARG H H 5 9.553 9.553 7.901 1.652 25424
8 1 1 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.376 -0.363 25424
9 1 1 . 1 1 6 6 ARG H H 6 8.844 8.844 8.561 0.283 25424
10 1 1 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.479 -0.314 25424
11 1 1 . 1 1 7 7 ALA H H 7 7.571 7.571 8.330 -0.759 25424
12 1 1 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.529 0.068 25424
13 1 1 . 1 1 8 8 TRP H H 8 8.607 8.607 8.752 -0.145 25424
14 1 1 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.430 -0.059 25424
15 1 1 . 1 1 9 9 ILE H H 9 7.162 7.162 7.585 -0.423 25424
16 1 1 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.604 0.180 25424
17 1 1 . 1 1 10 10 CYS H H 10 8.576 8.576 8.040 0.536 25424
18 1 1 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.022 0.288 25424
19 1 1 . 1 1 11 11 ARG H H 11 8.032 8.032 8.653 -0.621 25424
20 1 1 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.753 -0.438 25424
21 1 1 . 1 1 12 12 TRP H H 12 8.676 8.676 7.883 0.793 25424
22 1 1 . 1 1 13 13 GLY H H 13 8.348 8.348 8.505 -0.157 25424
23 1 1 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.515 0.194 25424
24 1 1 . 1 1 14 14 GLU H H 14 7.908 7.908 8.003 -0.095 25424
25 1 1 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.723 -0.050 25424
26 1 1 . 1 1 15 15 ARG H H 15 9.226 9.226 8.567 0.659 25424
27 1 1 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.520 0.743 25424
28 1 1 . 1 1 16 16 HIS H H 16 9.458 9.458 8.817 0.641 25424
29 1 1 . 1 1 17 17 SER HA H 17 4.610 4.610 4.243 0.367 25424
30 1 1 . 1 1 17 17 SER H H 17 8.861 8.861 8.122 0.739 25424
31 1 1 . 1 1 18 18 GLY H H 18 7.157 7.157 6.394 0.763 25424
32 1 1 . 1 1 19 19 LYS H H 19 8.418 8.418 8.120 0.298 25424
33 1 1 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.452 0.134 25424
34 1 1 . 1 1 23 23 GLN H H 23 8.372 8.372 8.341 0.031 25424
35 1 1 . 1 1 25 25 GLY H H 25 8.619 8.619 8.848 -0.229 25424
36 1 1 . 1 1 26 26 SER HA H 26 4.420 4.420 4.170 0.250 25424
37 1 1 . 1 1 26 26 SER H H 26 8.733 8.733 8.003 0.730 25424
38 1 1 . 1 1 27 27 THR HA H 27 3.730 3.730 4.110 -0.380 25424
39 1 1 . 1 1 27 27 THR H H 27 7.909 7.909 7.374 0.535 25424
40 1 1 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.212 0.508 25424
41 1 1 . 1 1 28 28 TYR H H 28 8.213 8.213 7.808 0.405 25424
42 1 1 . 1 1 29 29 ARG H H 29 6.694 6.694 8.192 -1.498 25424
43 1 1 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.253 0.390 25424
44 1 1 . 1 1 30 30 LEU H H 30 8.720 8.720 8.416 0.304 25424
45 1 1 . 1 1 31 31 CYS HA H 31 5.482 5.482 4.729 0.753 25424
46 1 1 . 1 1 31 31 CYS H H 31 8.772 8.772 8.345 0.427 25424
47 1 1 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.858 0.618 25424
48 1 1 . 1 1 32 32 CYS H H 32 9.400 9.400 9.116 0.284 25424
49 1 1 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.713 -0.199 25424
50 1 1 . 1 1 33 33 ARG H H 33 8.718 8.718 8.734 -0.016 25424
51 1 2 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.725 1.213 25424
52 1 2 . 1 1 2 2 CYS H H 2 9.170 9.170 8.335 0.835 25424
53 1 2 . 1 1 3 3 THR HA H 3 4.383 4.383 4.440 -0.057 25424
54 1 2 . 1 1 3 3 THR H H 3 9.174 9.174 7.858 1.316 25424
55 1 2 . 1 1 4 4 CYS H H 4 9.317 9.317 8.645 0.672 25424
56 1 2 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.600 0.026 25424
57 1 2 . 1 1 5 5 ARG H H 5 9.553 9.553 8.166 1.387 25424
58 1 2 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.363 -0.350 25424
59 1 2 . 1 1 6 6 ARG H H 6 8.844 8.844 8.543 0.301 25424
60 1 2 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.334 -0.169 25424
61 1 2 . 1 1 7 7 ALA H H 7 7.571 7.571 8.435 -0.864 25424
62 1 2 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.531 0.066 25424
63 1 2 . 1 1 8 8 TRP H H 8 8.607 8.607 8.615 -0.008 25424
64 1 2 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.413 -0.042 25424
65 1 2 . 1 1 9 9 ILE H H 9 7.162 7.162 7.479 -0.317 25424
66 1 2 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.684 0.100 25424
67 1 2 . 1 1 10 10 CYS H H 10 8.576 8.576 8.214 0.362 25424
68 1 2 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.118 0.192 25424
69 1 2 . 1 1 11 11 ARG H H 11 8.032 8.032 8.488 -0.456 25424
70 1 2 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.657 -0.342 25424
71 1 2 . 1 1 12 12 TRP H H 12 8.676 8.676 7.919 0.757 25424
72 1 2 . 1 1 13 13 GLY H H 13 8.348 8.348 8.581 -0.233 25424
73 1 2 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.580 0.129 25424
74 1 2 . 1 1 14 14 GLU H H 14 7.908 7.908 7.876 0.032 25424
75 1 2 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.730 -0.057 25424
76 1 2 . 1 1 15 15 ARG H H 15 9.226 9.226 9.025 0.201 25424
77 1 2 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.980 0.283 25424
78 1 2 . 1 1 16 16 HIS H H 16 9.458 9.458 8.546 0.912 25424
79 1 2 . 1 1 17 17 SER HA H 17 4.610 4.610 4.162 0.448 25424
80 1 2 . 1 1 17 17 SER H H 17 8.861 8.861 8.677 0.184 25424
81 1 2 . 1 1 18 18 GLY H H 18 7.157 7.157 7.606 -0.449 25424
82 1 2 . 1 1 19 19 LYS H H 19 8.418 8.418 8.173 0.245 25424
83 1 2 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.158 0.428 25424
84 1 2 . 1 1 23 23 GLN H H 23 8.372 8.372 8.290 0.082 25424
85 1 2 . 1 1 25 25 GLY H H 25 8.619 8.619 7.659 0.960 25424
86 1 2 . 1 1 26 26 SER HA H 26 4.420 4.420 4.176 0.244 25424
87 1 2 . 1 1 26 26 SER H H 26 8.733 8.733 8.504 0.229 25424
88 1 2 . 1 1 27 27 THR HA H 27 3.730 3.730 4.171 -0.441 25424
89 1 2 . 1 1 27 27 THR H H 27 7.909 7.909 7.014 0.895 25424
90 1 2 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.184 0.536 25424
91 1 2 . 1 1 28 28 TYR H H 28 8.213 8.213 7.777 0.436 25424
92 1 2 . 1 1 29 29 ARG H H 29 6.694 6.694 8.382 -1.688 25424
93 1 2 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.172 0.471 25424
94 1 2 . 1 1 30 30 LEU H H 30 8.720 8.720 8.605 0.115 25424
95 1 2 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.158 0.324 25424
96 1 2 . 1 1 31 31 CYS H H 31 8.772 8.772 8.210 0.562 25424
97 1 2 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.785 0.691 25424
98 1 2 . 1 1 32 32 CYS H H 32 9.400 9.400 8.672 0.728 25424
99 1 2 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.630 -0.116 25424
100 1 2 . 1 1 33 33 ARG H H 33 8.718 8.718 8.741 -0.023 25424
101 1 3 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.092 1.846 25424
102 1 3 . 1 1 2 2 CYS H H 2 9.170 9.170 9.019 0.151 25424
103 1 3 . 1 1 3 3 THR HA H 3 4.383 4.383 4.104 0.279 25424
104 1 3 . 1 1 3 3 THR H H 3 9.174 9.174 7.597 1.577 25424
105 1 3 . 1 1 4 4 CYS H H 4 9.317 9.317 8.846 0.471 25424
106 1 3 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.659 -0.033 25424
107 1 3 . 1 1 5 5 ARG H H 5 9.553 9.553 8.324 1.229 25424
108 1 3 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.889 -0.876 25424
109 1 3 . 1 1 6 6 ARG H H 6 8.844 8.844 8.765 0.079 25424
110 1 3 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.518 -0.353 25424
111 1 3 . 1 1 7 7 ALA H H 7 7.571 7.571 8.327 -0.756 25424
112 1 3 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.667 -0.070 25424
113 1 3 . 1 1 8 8 TRP H H 8 8.607 8.607 8.571 0.036 25424
114 1 3 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.419 -0.048 25424
115 1 3 . 1 1 9 9 ILE H H 9 7.162 7.162 7.301 -0.139 25424
116 1 3 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.672 0.112 25424
117 1 3 . 1 1 10 10 CYS H H 10 8.576 8.576 8.005 0.571 25424
118 1 3 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.084 0.226 25424
119 1 3 . 1 1 11 11 ARG H H 11 8.032 8.032 8.720 -0.688 25424
120 1 3 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.676 -0.361 25424
121 1 3 . 1 1 12 12 TRP H H 12 8.676 8.676 7.774 0.902 25424
122 1 3 . 1 1 13 13 GLY H H 13 8.348 8.348 8.786 -0.438 25424
123 1 3 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.337 0.372 25424
124 1 3 . 1 1 14 14 GLU H H 14 7.908 7.908 8.034 -0.126 25424
125 1 3 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.611 0.062 25424
126 1 3 . 1 1 15 15 ARG H H 15 9.226 9.226 8.399 0.827 25424
127 1 3 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.687 0.576 25424
128 1 3 . 1 1 16 16 HIS H H 16 9.458 9.458 8.632 0.826 25424
129 1 3 . 1 1 17 17 SER HA H 17 4.610 4.610 4.386 0.224 25424
130 1 3 . 1 1 17 17 SER H H 17 8.861 8.861 8.564 0.297 25424
131 1 3 . 1 1 18 18 GLY H H 18 7.157 7.157 7.375 -0.218 25424
132 1 3 . 1 1 19 19 LYS H H 19 8.418 8.418 8.440 -0.022 25424
133 1 3 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.319 0.267 25424
134 1 3 . 1 1 23 23 GLN H H 23 8.372 8.372 8.453 -0.081 25424
135 1 3 . 1 1 25 25 GLY H H 25 8.619 8.619 7.949 0.670 25424
136 1 3 . 1 1 26 26 SER HA H 26 4.420 4.420 4.306 0.114 25424
137 1 3 . 1 1 26 26 SER H H 26 8.733 8.733 8.480 0.253 25424
138 1 3 . 1 1 27 27 THR HA H 27 3.730 3.730 4.692 -0.962 25424
139 1 3 . 1 1 27 27 THR H H 27 7.909 7.909 8.068 -0.159 25424
140 1 3 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.389 0.331 25424
141 1 3 . 1 1 28 28 TYR H H 28 8.213 8.213 7.864 0.349 25424
142 1 3 . 1 1 29 29 ARG H H 29 6.694 6.694 8.199 -1.505 25424
143 1 3 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.339 0.304 25424
144 1 3 . 1 1 30 30 LEU H H 30 8.720 8.720 7.631 1.089 25424
145 1 3 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.163 0.319 25424
146 1 3 . 1 1 31 31 CYS H H 31 8.772 8.772 8.256 0.516 25424
147 1 3 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.878 0.598 25424
148 1 3 . 1 1 32 32 CYS H H 32 9.400 9.400 8.922 0.478 25424
149 1 3 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.510 0.004 25424
150 1 3 . 1 1 33 33 ARG H H 33 8.718 8.718 8.642 0.076 25424
151 1 4 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.673 1.265 25424
152 1 4 . 1 1 2 2 CYS H H 2 9.170 9.170 8.983 0.187 25424
153 1 4 . 1 1 3 3 THR HA H 3 4.383 4.383 4.435 -0.052 25424
154 1 4 . 1 1 3 3 THR H H 3 9.174 9.174 7.787 1.387 25424
155 1 4 . 1 1 4 4 CYS H H 4 9.317 9.317 8.862 0.455 25424
156 1 4 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.620 0.006 25424
157 1 4 . 1 1 5 5 ARG H H 5 9.553 9.553 7.954 1.599 25424
158 1 4 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.781 -0.768 25424
159 1 4 . 1 1 6 6 ARG H H 6 8.844 8.844 8.594 0.250 25424
160 1 4 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.110 0.055 25424
161 1 4 . 1 1 7 7 ALA H H 7 7.571 7.571 8.480 -0.909 25424
162 1 4 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.792 -0.195 25424
163 1 4 . 1 1 8 8 TRP H H 8 8.607 8.607 8.536 0.071 25424
164 1 4 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.458 -0.087 25424
165 1 4 . 1 1 9 9 ILE H H 9 7.162 7.162 7.422 -0.260 25424
166 1 4 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.521 0.263 25424
167 1 4 . 1 1 10 10 CYS H H 10 8.576 8.576 8.037 0.539 25424
168 1 4 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.065 0.245 25424
169 1 4 . 1 1 11 11 ARG H H 11 8.032 8.032 8.567 -0.535 25424
170 1 4 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.690 -0.375 25424
171 1 4 . 1 1 12 12 TRP H H 12 8.676 8.676 7.812 0.864 25424
172 1 4 . 1 1 13 13 GLY H H 13 8.348 8.348 8.541 -0.193 25424
173 1 4 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.591 0.118 25424
174 1 4 . 1 1 14 14 GLU H H 14 7.908 7.908 7.935 -0.027 25424
175 1 4 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.205 0.468 25424
176 1 4 . 1 1 15 15 ARG H H 15 9.226 9.226 8.171 1.055 25424
177 1 4 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.786 0.477 25424
178 1 4 . 1 1 16 16 HIS H H 16 9.458 9.458 8.774 0.684 25424
179 1 4 . 1 1 17 17 SER HA H 17 4.610 4.610 4.562 0.048 25424
180 1 4 . 1 1 17 17 SER H H 17 8.861 8.861 8.820 0.041 25424
181 1 4 . 1 1 18 18 GLY H H 18 7.157 7.157 8.037 -0.880 25424
182 1 4 . 1 1 19 19 LYS H H 19 8.418 8.418 8.290 0.128 25424
183 1 4 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.184 0.402 25424
184 1 4 . 1 1 23 23 GLN H H 23 8.372 8.372 8.063 0.309 25424
185 1 4 . 1 1 25 25 GLY H H 25 8.619 8.619 7.816 0.803 25424
186 1 4 . 1 1 26 26 SER HA H 26 4.420 4.420 4.308 0.112 25424
187 1 4 . 1 1 26 26 SER H H 26 8.733 8.733 8.665 0.068 25424
188 1 4 . 1 1 27 27 THR HA H 27 3.730 3.730 4.164 -0.434 25424
189 1 4 . 1 1 27 27 THR H H 27 7.909 7.909 7.895 0.014 25424
190 1 4 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.170 0.550 25424
191 1 4 . 1 1 28 28 TYR H H 28 8.213 8.213 7.856 0.357 25424
192 1 4 . 1 1 29 29 ARG H H 29 6.694 6.694 7.959 -1.265 25424
193 1 4 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.552 0.091 25424
194 1 4 . 1 1 30 30 LEU H H 30 8.720 8.720 7.623 1.097 25424
195 1 4 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.140 0.342 25424
196 1 4 . 1 1 31 31 CYS H H 31 8.772 8.772 7.711 1.061 25424
197 1 4 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.721 0.755 25424
198 1 4 . 1 1 32 32 CYS H H 32 9.400 9.400 8.746 0.654 25424
199 1 4 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.329 0.185 25424
200 1 4 . 1 1 33 33 ARG H H 33 8.718 8.718 8.622 0.096 25424
201 1 5 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.076 1.862 25424
202 1 5 . 1 1 2 2 CYS H H 2 9.170 9.170 8.675 0.495 25424
203 1 5 . 1 1 3 3 THR HA H 3 4.383 4.383 4.175 0.208 25424
204 1 5 . 1 1 3 3 THR H H 3 9.174 9.174 7.645 1.529 25424
205 1 5 . 1 1 4 4 CYS H H 4 9.317 9.317 8.752 0.565 25424
206 1 5 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.671 -0.045 25424
207 1 5 . 1 1 5 5 ARG H H 5 9.553 9.553 7.600 1.953 25424
208 1 5 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.839 -0.826 25424
209 1 5 . 1 1 6 6 ARG H H 6 8.844 8.844 8.762 0.082 25424
210 1 5 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.578 -0.413 25424
211 1 5 . 1 1 7 7 ALA H H 7 7.571 7.571 8.178 -0.607 25424
212 1 5 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.572 0.025 25424
213 1 5 . 1 1 8 8 TRP H H 8 8.607 8.607 8.400 0.207 25424
214 1 5 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.479 -0.108 25424
215 1 5 . 1 1 9 9 ILE H H 9 7.162 7.162 7.501 -0.339 25424
216 1 5 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.549 0.235 25424
217 1 5 . 1 1 10 10 CYS H H 10 8.576 8.576 7.962 0.614 25424
218 1 5 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.075 0.235 25424
219 1 5 . 1 1 11 11 ARG H H 11 8.032 8.032 8.664 -0.632 25424
220 1 5 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.695 -0.380 25424
221 1 5 . 1 1 12 12 TRP H H 12 8.676 8.676 7.842 0.834 25424
222 1 5 . 1 1 13 13 GLY H H 13 8.348 8.348 8.688 -0.340 25424
223 1 5 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.764 -0.055 25424
224 1 5 . 1 1 14 14 GLU H H 14 7.908 7.908 7.982 -0.074 25424
225 1 5 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.737 -0.064 25424
226 1 5 . 1 1 15 15 ARG H H 15 9.226 9.226 8.827 0.399 25424
227 1 5 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.914 0.349 25424
228 1 5 . 1 1 16 16 HIS H H 16 9.458 9.458 8.766 0.692 25424
229 1 5 . 1 1 17 17 SER HA H 17 4.610 4.610 4.391 0.219 25424
230 1 5 . 1 1 17 17 SER H H 17 8.861 8.861 8.837 0.024 25424
231 1 5 . 1 1 18 18 GLY H H 18 7.157 7.157 7.954 -0.797 25424
232 1 5 . 1 1 19 19 LYS H H 19 8.418 8.418 8.140 0.278 25424
233 1 5 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.396 0.190 25424
234 1 5 . 1 1 23 23 GLN H H 23 8.372 8.372 8.205 0.167 25424
235 1 5 . 1 1 25 25 GLY H H 25 8.619 8.619 8.153 0.466 25424
236 1 5 . 1 1 26 26 SER HA H 26 4.420 4.420 4.435 -0.015 25424
237 1 5 . 1 1 26 26 SER H H 26 8.733 8.733 8.361 0.372 25424
238 1 5 . 1 1 27 27 THR HA H 27 3.730 3.730 4.562 -0.832 25424
239 1 5 . 1 1 27 27 THR H H 27 7.909 7.909 8.132 -0.223 25424
240 1 5 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.547 0.173 25424
241 1 5 . 1 1 28 28 TYR H H 28 8.213 8.213 7.866 0.347 25424
242 1 5 . 1 1 29 29 ARG H H 29 6.694 6.694 8.129 -1.435 25424
243 1 5 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.331 0.312 25424
244 1 5 . 1 1 30 30 LEU H H 30 8.720 8.720 8.264 0.456 25424
245 1 5 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.383 0.099 25424
246 1 5 . 1 1 31 31 CYS H H 31 8.772 8.772 8.425 0.347 25424
247 1 5 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.835 0.641 25424
248 1 5 . 1 1 32 32 CYS H H 32 9.400 9.400 9.136 0.264 25424
249 1 5 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.570 -0.056 25424
250 1 5 . 1 1 33 33 ARG H H 33 8.718 8.718 8.593 0.125 25424
251 1 6 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.693 1.245 25424
252 1 6 . 1 1 2 2 CYS H H 2 9.170 9.170 9.108 0.062 25424
253 1 6 . 1 1 3 3 THR HA H 3 4.383 4.383 4.396 -0.013 25424
254 1 6 . 1 1 3 3 THR H H 3 9.174 9.174 7.858 1.316 25424
255 1 6 . 1 1 4 4 CYS H H 4 9.317 9.317 8.726 0.591 25424
256 1 6 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.694 -0.068 25424
257 1 6 . 1 1 5 5 ARG H H 5 9.553 9.553 8.142 1.411 25424
258 1 6 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.428 -0.415 25424
259 1 6 . 1 1 6 6 ARG H H 6 8.844 8.844 8.719 0.125 25424
260 1 6 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.541 -0.376 25424
261 1 6 . 1 1 7 7 ALA H H 7 7.571 7.571 8.119 -0.548 25424
262 1 6 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.458 0.139 25424
263 1 6 . 1 1 8 8 TRP H H 8 8.607 8.607 8.480 0.127 25424
264 1 6 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.379 -0.008 25424
265 1 6 . 1 1 9 9 ILE H H 9 7.162 7.162 7.626 -0.464 25424
266 1 6 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.788 -0.004 25424
267 1 6 . 1 1 10 10 CYS H H 10 8.576 8.576 8.659 -0.083 25424
268 1 6 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.518 -0.208 25424
269 1 6 . 1 1 11 11 ARG H H 11 8.032 8.032 8.688 -0.656 25424
270 1 6 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.960 -0.645 25424
271 1 6 . 1 1 12 12 TRP H H 12 8.676 8.676 7.674 1.002 25424
272 1 6 . 1 1 13 13 GLY H H 13 8.348 8.348 8.464 -0.116 25424
273 1 6 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.138 0.571 25424
274 1 6 . 1 1 14 14 GLU H H 14 7.908 7.908 8.007 -0.099 25424
275 1 6 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.721 -0.048 25424
276 1 6 . 1 1 15 15 ARG H H 15 9.226 9.226 8.814 0.412 25424
277 1 6 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.984 0.279 25424
278 1 6 . 1 1 16 16 HIS H H 16 9.458 9.458 8.653 0.805 25424
279 1 6 . 1 1 17 17 SER HA H 17 4.610 4.610 4.251 0.359 25424
280 1 6 . 1 1 17 17 SER H H 17 8.861 8.861 8.237 0.624 25424
281 1 6 . 1 1 18 18 GLY H H 18 7.157 7.157 6.507 0.650 25424
282 1 6 . 1 1 19 19 LYS H H 19 8.418 8.418 8.291 0.127 25424
283 1 6 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.487 0.099 25424
284 1 6 . 1 1 23 23 GLN H H 23 8.372 8.372 8.139 0.233 25424
285 1 6 . 1 1 25 25 GLY H H 25 8.619 8.619 7.953 0.666 25424
286 1 6 . 1 1 26 26 SER HA H 26 4.420 4.420 4.431 -0.011 25424
287 1 6 . 1 1 26 26 SER H H 26 8.733 8.733 7.939 0.794 25424
288 1 6 . 1 1 27 27 THR HA H 27 3.730 3.730 4.506 -0.776 25424
289 1 6 . 1 1 27 27 THR H H 27 7.909 7.909 7.546 0.363 25424
290 1 6 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.726 -0.006 25424
291 1 6 . 1 1 28 28 TYR H H 28 8.213 8.213 7.367 0.846 25424
292 1 6 . 1 1 29 29 ARG H H 29 6.694 6.694 8.739 -2.045 25424
293 1 6 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.504 0.139 25424
294 1 6 . 1 1 30 30 LEU H H 30 8.720 8.720 8.336 0.384 25424
295 1 6 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.409 0.073 25424
296 1 6 . 1 1 31 31 CYS H H 31 8.772 8.772 7.875 0.897 25424
297 1 6 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.923 0.553 25424
298 1 6 . 1 1 32 32 CYS H H 32 9.400 9.400 9.277 0.123 25424
299 1 6 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.411 0.103 25424
300 1 6 . 1 1 33 33 ARG H H 33 8.718 8.718 8.654 0.064 25424
301 1 7 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.693 1.245 25424
302 1 7 . 1 1 2 2 CYS H H 2 9.170 9.170 8.585 0.585 25424
303 1 7 . 1 1 3 3 THR HA H 3 4.383 4.383 4.388 -0.005 25424
304 1 7 . 1 1 3 3 THR H H 3 9.174 9.174 7.706 1.468 25424
305 1 7 . 1 1 4 4 CYS H H 4 9.317 9.317 8.513 0.804 25424
306 1 7 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.907 -0.281 25424
307 1 7 . 1 1 5 5 ARG H H 5 9.553 9.553 7.896 1.657 25424
308 1 7 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.875 -0.862 25424
309 1 7 . 1 1 6 6 ARG H H 6 8.844 8.844 8.437 0.407 25424
310 1 7 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.269 -0.104 25424
311 1 7 . 1 1 7 7 ALA H H 7 7.571 7.571 8.323 -0.752 25424
312 1 7 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.388 0.209 25424
313 1 7 . 1 1 8 8 TRP H H 8 8.607 8.607 8.293 0.314 25424
314 1 7 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.369 0.002 25424
315 1 7 . 1 1 9 9 ILE H H 9 7.162 7.162 7.626 -0.464 25424
316 1 7 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.631 0.153 25424
317 1 7 . 1 1 10 10 CYS H H 10 8.576 8.576 8.284 0.292 25424
318 1 7 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.086 0.224 25424
319 1 7 . 1 1 11 11 ARG H H 11 8.032 8.032 8.503 -0.471 25424
320 1 7 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.706 -0.391 25424
321 1 7 . 1 1 12 12 TRP H H 12 8.676 8.676 7.900 0.776 25424
322 1 7 . 1 1 13 13 GLY H H 13 8.348 8.348 8.512 -0.164 25424
323 1 7 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.688 0.021 25424
324 1 7 . 1 1 14 14 GLU H H 14 7.908 7.908 7.907 0.001 25424
325 1 7 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.737 -0.064 25424
326 1 7 . 1 1 15 15 ARG H H 15 9.226 9.226 8.895 0.331 25424
327 1 7 . 1 1 16 16 HIS HA H 16 5.263 5.263 5.146 0.117 25424
328 1 7 . 1 1 16 16 HIS H H 16 9.458 9.458 8.518 0.940 25424
329 1 7 . 1 1 17 17 SER HA H 17 4.610 4.610 4.143 0.467 25424
330 1 7 . 1 1 17 17 SER H H 17 8.861 8.861 8.482 0.379 25424
331 1 7 . 1 1 18 18 GLY H H 18 7.157 7.157 7.400 -0.243 25424
332 1 7 . 1 1 19 19 LYS H H 19 8.418 8.418 8.100 0.318 25424
333 1 7 . 1 1 23 23 GLN HA H 23 4.586 4.586 3.930 0.656 25424
334 1 7 . 1 1 23 23 GLN H H 23 8.372 8.372 8.321 0.051 25424
335 1 7 . 1 1 25 25 GLY H H 25 8.619 8.619 7.659 0.960 25424
336 1 7 . 1 1 26 26 SER HA H 26 4.420 4.420 4.510 -0.090 25424
337 1 7 . 1 1 26 26 SER H H 26 8.733 8.733 8.047 0.686 25424
338 1 7 . 1 1 27 27 THR HA H 27 3.730 3.730 4.010 -0.280 25424
339 1 7 . 1 1 27 27 THR H H 27 7.909 7.909 8.741 -0.832 25424
340 1 7 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.313 0.407 25424
341 1 7 . 1 1 28 28 TYR H H 28 8.213 8.213 8.005 0.208 25424
342 1 7 . 1 1 29 29 ARG H H 29 6.694 6.694 8.430 -1.736 25424
343 1 7 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.141 0.502 25424
344 1 7 . 1 1 30 30 LEU H H 30 8.720 8.720 8.154 0.566 25424
345 1 7 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.241 0.241 25424
346 1 7 . 1 1 31 31 CYS H H 31 8.772 8.772 8.422 0.350 25424
347 1 7 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.848 0.628 25424
348 1 7 . 1 1 32 32 CYS H H 32 9.400 9.400 8.687 0.713 25424
349 1 7 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.629 -0.115 25424
350 1 7 . 1 1 33 33 ARG H H 33 8.718 8.718 8.718 -0.000 25424
351 1 8 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.152 1.786 25424
352 1 8 . 1 1 2 2 CYS H H 2 9.170 9.170 8.584 0.586 25424
353 1 8 . 1 1 3 3 THR HA H 3 4.383 4.383 4.133 0.250 25424
354 1 8 . 1 1 3 3 THR H H 3 9.174 9.174 7.772 1.402 25424
355 1 8 . 1 1 4 4 CYS H H 4 9.317 9.317 8.863 0.454 25424
356 1 8 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.287 0.339 25424
357 1 8 . 1 1 5 5 ARG H H 5 9.553 9.553 8.153 1.400 25424
358 1 8 . 1 1 6 6 ARG HA H 6 4.013 4.013 3.976 0.037 25424
359 1 8 . 1 1 6 6 ARG H H 6 8.844 8.844 8.284 0.560 25424
360 1 8 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.241 -0.076 25424
361 1 8 . 1 1 7 7 ALA H H 7 7.571 7.571 7.598 -0.027 25424
362 1 8 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.370 0.227 25424
363 1 8 . 1 1 8 8 TRP H H 8 8.607 8.607 7.901 0.706 25424
364 1 8 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.153 0.218 25424
365 1 8 . 1 1 9 9 ILE H H 9 7.162 7.162 7.530 -0.368 25424
366 1 8 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.499 0.285 25424
367 1 8 . 1 1 10 10 CYS H H 10 8.576 8.576 7.891 0.685 25424
368 1 8 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.071 0.239 25424
369 1 8 . 1 1 11 11 ARG H H 11 8.032 8.032 8.660 -0.628 25424
370 1 8 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.687 -0.372 25424
371 1 8 . 1 1 12 12 TRP H H 12 8.676 8.676 7.849 0.827 25424
372 1 8 . 1 1 13 13 GLY H H 13 8.348 8.348 8.739 -0.391 25424
373 1 8 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.744 -0.035 25424
374 1 8 . 1 1 14 14 GLU H H 14 7.908 7.908 8.082 -0.174 25424
375 1 8 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.765 -0.092 25424
376 1 8 . 1 1 15 15 ARG H H 15 9.226 9.226 8.784 0.442 25424
377 1 8 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.837 0.426 25424
378 1 8 . 1 1 16 16 HIS H H 16 9.458 9.458 8.783 0.675 25424
379 1 8 . 1 1 17 17 SER HA H 17 4.610 4.610 4.359 0.251 25424
380 1 8 . 1 1 17 17 SER H H 17 8.861 8.861 8.613 0.248 25424
381 1 8 . 1 1 18 18 GLY H H 18 7.157 7.157 6.969 0.188 25424
382 1 8 . 1 1 19 19 LYS H H 19 8.418 8.418 8.301 0.117 25424
383 1 8 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.326 0.260 25424
384 1 8 . 1 1 23 23 GLN H H 23 8.372 8.372 8.674 -0.302 25424
385 1 8 . 1 1 25 25 GLY H H 25 8.619 8.619 7.958 0.661 25424
386 1 8 . 1 1 26 26 SER HA H 26 4.420 4.420 4.394 0.026 25424
387 1 8 . 1 1 26 26 SER H H 26 8.733 8.733 6.853 1.880 25424
388 1 8 . 1 1 27 27 THR HA H 27 3.730 3.730 4.463 -0.733 25424
389 1 8 . 1 1 27 27 THR H H 27 7.909 7.909 7.810 0.099 25424
390 1 8 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.901 -0.181 25424
391 1 8 . 1 1 28 28 TYR H H 28 8.213 8.213 7.006 1.207 25424
392 1 8 . 1 1 29 29 ARG H H 29 6.694 6.694 8.446 -1.752 25424
393 1 8 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.966 -0.323 25424
394 1 8 . 1 1 30 30 LEU H H 30 8.720 8.720 8.273 0.447 25424
395 1 8 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.390 0.092 25424
396 1 8 . 1 1 31 31 CYS H H 31 8.772 8.772 8.001 0.771 25424
397 1 8 . 1 1 32 32 CYS HA H 32 5.476 5.476 5.157 0.319 25424
398 1 8 . 1 1 32 32 CYS H H 32 9.400 9.400 9.136 0.264 25424
399 1 8 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.549 -0.035 25424
400 1 8 . 1 1 33 33 ARG H H 33 8.718 8.718 8.835 -0.117 25424
401 1 9 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.642 1.296 25424
402 1 9 . 1 1 2 2 CYS H H 2 9.170 9.170 8.517 0.653 25424
403 1 9 . 1 1 3 3 THR HA H 3 4.383 4.383 4.340 0.043 25424
404 1 9 . 1 1 3 3 THR H H 3 9.174 9.174 8.142 1.032 25424
405 1 9 . 1 1 4 4 CYS H H 4 9.317 9.317 8.433 0.884 25424
406 1 9 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.682 -0.056 25424
407 1 9 . 1 1 5 5 ARG H H 5 9.553 9.553 8.185 1.368 25424
408 1 9 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.467 -0.454 25424
409 1 9 . 1 1 6 6 ARG H H 6 8.844 8.844 8.537 0.307 25424
410 1 9 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.325 -0.160 25424
411 1 9 . 1 1 7 7 ALA H H 7 7.571 7.571 8.096 -0.525 25424
412 1 9 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.715 -0.118 25424
413 1 9 . 1 1 8 8 TRP H H 8 8.607 8.607 7.764 0.843 25424
414 1 9 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.393 -0.022 25424
415 1 9 . 1 1 9 9 ILE H H 9 7.162 7.162 6.978 0.184 25424
416 1 9 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.585 0.199 25424
417 1 9 . 1 1 10 10 CYS H H 10 8.576 8.576 7.991 0.585 25424
418 1 9 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.005 0.305 25424
419 1 9 . 1 1 11 11 ARG H H 11 8.032 8.032 8.940 -0.908 25424
420 1 9 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.720 -0.405 25424
421 1 9 . 1 1 12 12 TRP H H 12 8.676 8.676 7.838 0.838 25424
422 1 9 . 1 1 13 13 GLY H H 13 8.348 8.348 8.617 -0.269 25424
423 1 9 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.899 -0.190 25424
424 1 9 . 1 1 14 14 GLU H H 14 7.908 7.908 8.014 -0.106 25424
425 1 9 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.718 -0.045 25424
426 1 9 . 1 1 15 15 ARG H H 15 9.226 9.226 8.366 0.860 25424
427 1 9 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.834 0.429 25424
428 1 9 . 1 1 16 16 HIS H H 16 9.458 9.458 8.716 0.742 25424
429 1 9 . 1 1 17 17 SER HA H 17 4.610 4.610 4.205 0.405 25424
430 1 9 . 1 1 17 17 SER H H 17 8.861 8.861 8.205 0.656 25424
431 1 9 . 1 1 18 18 GLY H H 18 7.157 7.157 6.835 0.322 25424
432 1 9 . 1 1 19 19 LYS H H 19 8.418 8.418 8.206 0.212 25424
433 1 9 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.080 0.506 25424
434 1 9 . 1 1 23 23 GLN H H 23 8.372 8.372 8.514 -0.142 25424
435 1 9 . 1 1 25 25 GLY H H 25 8.619 8.619 8.246 0.373 25424
436 1 9 . 1 1 26 26 SER HA H 26 4.420 4.420 4.614 -0.194 25424
437 1 9 . 1 1 26 26 SER H H 26 8.733 8.733 7.665 1.068 25424
438 1 9 . 1 1 27 27 THR HA H 27 3.730 3.730 4.557 -0.827 25424
439 1 9 . 1 1 27 27 THR H H 27 7.909 7.909 8.094 -0.185 25424
440 1 9 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.908 -0.188 25424
441 1 9 . 1 1 28 28 TYR H H 28 8.213 8.213 7.275 0.938 25424
442 1 9 . 1 1 29 29 ARG H H 29 6.694 6.694 8.658 -1.964 25424
443 1 9 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.302 0.341 25424
444 1 9 . 1 1 30 30 LEU H H 30 8.720 8.720 8.406 0.314 25424
445 1 9 . 1 1 31 31 CYS HA H 31 5.482 5.482 4.979 0.503 25424
446 1 9 . 1 1 31 31 CYS H H 31 8.772 8.772 8.090 0.682 25424
447 1 9 . 1 1 32 32 CYS HA H 32 5.476 5.476 5.011 0.465 25424
448 1 9 . 1 1 32 32 CYS H H 32 9.400 9.400 8.991 0.409 25424
449 1 9 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.640 -0.126 25424
450 1 9 . 1 1 33 33 ARG H H 33 8.718 8.718 8.362 0.356 25424
451 1 10 . 1 1 2 2 CYS HA H 2 5.938 5.938 4.566 1.372 25424
452 1 10 . 1 1 2 2 CYS H H 2 9.170 9.170 7.610 1.560 25424
453 1 10 . 1 1 3 3 THR HA H 3 4.383 4.383 4.191 0.192 25424
454 1 10 . 1 1 3 3 THR H H 3 9.174 9.174 8.174 1.000 25424
455 1 10 . 1 1 4 4 CYS H H 4 9.317 9.317 8.426 0.891 25424
456 1 10 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.715 -0.089 25424
457 1 10 . 1 1 5 5 ARG H H 5 9.553 9.553 8.047 1.506 25424
458 1 10 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.921 -0.908 25424
459 1 10 . 1 1 6 6 ARG H H 6 8.844 8.844 8.817 0.027 25424
460 1 10 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.690 -0.525 25424
461 1 10 . 1 1 7 7 ALA H H 7 7.571 7.571 8.334 -0.763 25424
462 1 10 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.821 -0.224 25424
463 1 10 . 1 1 8 8 TRP H H 8 8.607 8.607 8.370 0.237 25424
464 1 10 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.286 0.085 25424
465 1 10 . 1 1 9 9 ILE H H 9 7.162 7.162 7.587 -0.425 25424
466 1 10 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.571 0.213 25424
467 1 10 . 1 1 10 10 CYS H H 10 8.576 8.576 8.026 0.550 25424
468 1 10 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.078 0.232 25424
469 1 10 . 1 1 11 11 ARG H H 11 8.032 8.032 9.147 -1.115 25424
470 1 10 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.621 -0.306 25424
471 1 10 . 1 1 12 12 TRP H H 12 8.676 8.676 7.762 0.914 25424
472 1 10 . 1 1 13 13 GLY H H 13 8.348 8.348 8.831 -0.483 25424
473 1 10 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.772 -0.063 25424
474 1 10 . 1 1 14 14 GLU H H 14 7.908 7.908 8.036 -0.128 25424
475 1 10 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.341 0.332 25424
476 1 10 . 1 1 15 15 ARG H H 15 9.226 9.226 8.313 0.913 25424
477 1 10 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.389 0.874 25424
478 1 10 . 1 1 16 16 HIS H H 16 9.458 9.458 8.380 1.078 25424
479 1 10 . 1 1 17 17 SER HA H 17 4.610 4.610 4.328 0.282 25424
480 1 10 . 1 1 17 17 SER H H 17 8.861 8.861 8.411 0.450 25424
481 1 10 . 1 1 18 18 GLY H H 18 7.157 7.157 7.573 -0.416 25424
482 1 10 . 1 1 19 19 LYS H H 19 8.418 8.418 7.965 0.453 25424
483 1 10 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.155 0.431 25424
484 1 10 . 1 1 23 23 GLN H H 23 8.372 8.372 8.550 -0.178 25424
485 1 10 . 1 1 25 25 GLY H H 25 8.619 8.619 7.742 0.877 25424
486 1 10 . 1 1 26 26 SER HA H 26 4.420 4.420 4.399 0.021 25424
487 1 10 . 1 1 26 26 SER H H 26 8.733 8.733 7.947 0.786 25424
488 1 10 . 1 1 27 27 THR HA H 27 3.730 3.730 4.451 -0.721 25424
489 1 10 . 1 1 27 27 THR H H 27 7.909 7.909 7.629 0.280 25424
490 1 10 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.509 0.211 25424
491 1 10 . 1 1 28 28 TYR H H 28 8.213 8.213 7.272 0.941 25424
492 1 10 . 1 1 29 29 ARG H H 29 6.694 6.694 8.705 -2.011 25424
493 1 10 . 1 1 30 30 LEU HA H 30 4.643 4.643 3.722 0.921 25424
494 1 10 . 1 1 30 30 LEU H H 30 8.720 8.720 7.724 0.996 25424
495 1 10 . 1 1 31 31 CYS HA H 31 5.482 5.482 4.822 0.660 25424
496 1 10 . 1 1 31 31 CYS H H 31 8.772 8.772 8.213 0.559 25424
497 1 10 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.784 0.692 25424
498 1 10 . 1 1 32 32 CYS H H 32 9.400 9.400 9.107 0.293 25424
499 1 10 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.680 -0.166 25424
500 1 10 . 1 1 33 33 ARG H H 33 8.718 8.718 8.319 0.399 25424
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 25424
2 1 1 "Average Difference" HA 22 0.437 -0.171 0.411 25424
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25424
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25424
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25424
6 1 1 "Average Difference" HN 28 0.738 -0.309 0.682 25424
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25424
8 1 2 "Average Difference" HA 22 0.407 -0.163 0.382 25424
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25424
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25424
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25424
12 1 2 "Average Difference" HN 28 0.696 -0.256 0.659 25424
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25424
14 1 3 "Average Difference" HA 22 0.555 -0.133 0.551 25424
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25424
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25424
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25424
18 1 3 "Average Difference" HN 28 0.676 -0.224 0.649 25424
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25424
20 1 4 "Average Difference" HA 22 0.446 -0.158 0.427 25424
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25424
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25424
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25424
24 1 4 "Average Difference" HN 28 0.724 -0.273 0.682 25424
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25424
26 1 5 "Average Difference" HA 22 0.526 -0.080 0.532 25424
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25424
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25424
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25424
30 1 5 "Average Difference" HN 28 0.687 -0.206 0.668 25424
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25424
32 1 6 "Average Difference" HA 22 0.418 -0.045 0.425 25424
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25424
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25424
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25424
36 1 6 "Average Difference" HN 28 0.729 -0.272 0.688 25424
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25424
38 1 7 "Average Difference" HA 22 0.441 -0.122 0.434 25424
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25424
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25424
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25424
42 1 7 "Average Difference" HN 28 0.738 -0.255 0.705 25424
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25424
44 1 8 "Average Difference" HA 22 0.470 -0.132 0.462 25424
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25424
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25424
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25424
48 1 8 "Average Difference" HN 28 0.788 -0.352 0.718 25424
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25424
50 1 9 "Average Difference" HA 22 0.438 -0.078 0.442 25424
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25424
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25424
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25424
54 1 9 "Average Difference" HN 28 0.756 -0.340 0.688 25424
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25424
56 1 10 "Average Difference" HA 22 0.555 -0.160 0.544 25424
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25424
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25424
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25424
60 1 10 "Average Difference" HN 28 0.856 -0.328 0.805 25424
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 25424
_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 5.938 5.938 4.511 1.427 25424
2 1 . 1 1 2 2 CYS H H 2 9.170 9.170 8.513 0.657 25424
3 1 . 1 1 3 3 THR HA H 3 4.383 4.383 4.298 0.085 25424
4 1 . 1 1 3 3 THR H H 3 9.174 9.174 7.825 1.349 25424
5 1 . 1 1 4 4 CYS H H 4 9.317 9.317 8.678 0.639 25424
6 1 . 1 1 5 5 ARG HA H 5 4.626 4.626 4.652 -0.027 25424
7 1 . 1 1 5 5 ARG H H 5 9.553 9.553 8.037 1.516 25424
8 1 . 1 1 6 6 ARG HA H 6 4.013 4.013 4.591 -0.579 25424
9 1 . 1 1 6 6 ARG H H 6 8.844 8.844 8.602 0.242 25424
10 1 . 1 1 7 7 ALA HA H 7 4.165 4.165 4.409 -0.243 25424
11 1 . 1 1 7 7 ALA H H 7 7.571 7.571 8.222 -0.651 25424
12 1 . 1 1 8 8 TRP HA H 8 4.597 4.597 4.584 0.013 25424
13 1 . 1 1 8 8 TRP H H 8 8.607 8.607 8.368 0.239 25424
14 1 . 1 1 9 9 ILE HA H 9 4.371 4.371 4.378 -0.007 25424
15 1 . 1 1 9 9 ILE H H 9 7.162 7.162 7.464 -0.301 25424
16 1 . 1 1 10 10 CYS HA H 10 4.784 4.784 4.610 0.174 25424
17 1 . 1 1 10 10 CYS H H 10 8.576 8.576 8.111 0.465 25424
18 1 . 1 1 11 11 ARG HA H 11 4.310 4.310 4.112 0.198 25424
19 1 . 1 1 11 11 ARG H H 11 8.032 8.032 8.703 -0.671 25424
20 1 . 1 1 12 12 TRP HA H 12 4.315 4.315 4.716 -0.401 25424
21 1 . 1 1 12 12 TRP H H 12 8.676 8.676 7.825 0.851 25424
22 1 . 1 1 13 13 GLY H H 13 8.348 8.348 8.626 -0.278 25424
23 1 . 1 1 14 14 GLU HA H 14 4.709 4.709 4.603 0.106 25424
24 1 . 1 1 14 14 GLU H H 14 7.908 7.908 7.988 -0.080 25424
25 1 . 1 1 15 15 ARG HA H 15 4.673 4.673 4.629 0.044 25424
26 1 . 1 1 15 15 ARG H H 15 9.226 9.226 8.616 0.610 25424
27 1 . 1 1 16 16 HIS HA H 16 5.263 5.263 4.808 0.455 25424
28 1 . 1 1 16 16 HIS H H 16 9.458 9.458 8.658 0.799 25424
29 1 . 1 1 17 17 SER HA H 17 4.610 4.610 4.303 0.307 25424
30 1 . 1 1 17 17 SER H H 17 8.861 8.861 8.497 0.364 25424
31 1 . 1 1 18 18 GLY H H 18 7.157 7.157 7.265 -0.108 25424
32 1 . 1 1 19 19 LYS H H 19 8.418 8.418 8.203 0.215 25424
33 1 . 1 1 23 23 GLN HA H 23 4.586 4.586 4.249 0.337 25424
34 1 . 1 1 23 23 GLN H H 23 8.372 8.372 8.355 0.017 25424
35 1 . 1 1 25 25 GLY H H 25 8.619 8.619 7.998 0.621 25424
36 1 . 1 1 26 26 SER HA H 26 4.420 4.420 4.374 0.046 25424
37 1 . 1 1 26 26 SER H H 26 8.733 8.733 8.046 0.687 25424
38 1 . 1 1 27 27 THR HA H 27 3.730 3.730 4.369 -0.639 25424
39 1 . 1 1 27 27 THR H H 27 7.909 7.909 7.830 0.079 25424
40 1 . 1 1 28 28 TYR HA H 28 4.720 4.720 4.486 0.234 25424
41 1 . 1 1 28 28 TYR H H 28 8.213 8.213 7.610 0.603 25424
42 1 . 1 1 29 29 ARG H H 29 6.694 6.694 8.384 -1.690 25424
43 1 . 1 1 30 30 LEU HA H 30 4.643 4.643 4.328 0.315 25424
44 1 . 1 1 30 30 LEU H H 30 8.720 8.720 8.143 0.577 25424
45 1 . 1 1 31 31 CYS HA H 31 5.482 5.482 5.141 0.341 25424
46 1 . 1 1 31 31 CYS H H 31 8.772 8.772 8.155 0.617 25424
47 1 . 1 1 32 32 CYS HA H 32 5.476 5.476 4.880 0.596 25424
48 1 . 1 1 32 32 CYS H H 32 9.400 9.400 8.979 0.421 25424
49 1 . 1 1 33 33 ARG HA H 33 4.514 4.514 4.566 -0.052 25424
50 1 . 1 1 33 33 ARG H H 33 8.718 8.718 8.622 0.096 25424
stop_
save_