data_25331
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25331
_Entry.PDB_ID 2MWJ
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 25331
_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 GLN HA H 2 4.922 4.922 4.573 0.349 25331
2 1 1 . 1 1 2 2 GLN H H 2 9.374 9.374 8.399 0.975 25331
3 1 1 . 1 1 3 3 SER HA H 3 4.461 4.461 4.468 -0.007 25331
4 1 1 . 1 1 3 3 SER H H 3 9.232 9.232 8.491 0.741 25331
5 1 1 . 1 1 4 4 HIS HA H 4 3.959 3.959 4.050 -0.091 25331
6 1 1 . 1 1 4 4 HIS H H 4 8.954 8.954 8.483 0.471 25331
7 1 1 . 1 1 5 5 TYR HA H 5 4.020 4.020 4.325 -0.305 25331
8 1 1 . 1 1 5 5 TYR H H 5 9.465 9.465 9.077 0.388 25331
9 1 1 . 1 1 6 6 GLY H H 6 8.769 8.769 7.549 1.220 25331
10 1 1 . 1 1 7 7 GLN HA H 7 4.313 4.313 4.559 -0.246 25331
11 1 1 . 1 1 7 7 GLN H H 7 8.643 8.643 8.238 0.405 25331
12 1 1 . 1 1 8 8 CYS HA H 8 5.245 5.245 5.420 -0.175 25331
13 1 1 . 1 1 8 8 CYS H H 8 8.007 8.007 8.274 -0.267 25331
14 1 1 . 1 1 9 9 GLY H H 9 6.666 6.666 7.084 -0.418 25331
15 1 1 . 1 1 10 10 GLY H H 10 8.680 8.680 7.922 0.758 25331
16 1 1 . 1 1 11 11 ILE HA H 11 3.781 3.781 3.980 -0.199 25331
17 1 1 . 1 1 11 11 ILE H H 11 8.301 8.301 8.308 -0.007 25331
18 1 1 . 1 1 12 12 GLY H H 12 9.106 9.106 8.570 0.536 25331
19 1 1 . 1 1 13 13 TYR HA H 13 4.576 4.576 4.769 -0.193 25331
20 1 1 . 1 1 13 13 TYR H H 13 7.959 7.959 7.545 0.414 25331
21 1 1 . 1 1 14 14 SER HA H 14 4.476 4.476 4.261 0.215 25331
22 1 1 . 1 1 14 14 SER H H 14 8.336 8.336 7.831 0.505 25331
23 1 1 . 1 1 15 15 GLY H H 15 5.317 5.317 6.786 -1.469 25331
24 1 1 . 1 1 16 16 PRO HA H 16 4.456 4.456 4.321 0.135 25331
25 1 1 . 1 1 17 17 THR HA H 17 4.675 4.675 4.553 0.122 25331
26 1 1 . 1 1 17 17 THR H H 17 8.244 8.244 8.377 -0.133 25331
27 1 1 . 1 1 18 18 VAL HA H 18 4.057 4.057 4.238 -0.181 25331
28 1 1 . 1 1 18 18 VAL H H 18 7.452 7.452 7.243 0.209 25331
29 1 1 . 1 1 19 19 CYS HA H 19 4.393 4.393 4.749 -0.356 25331
30 1 1 . 1 1 19 19 CYS H H 19 8.735 8.735 8.583 0.152 25331
31 1 1 . 1 1 20 20 ALA HA H 20 4.369 4.369 4.087 0.282 25331
32 1 1 . 1 1 20 20 ALA H H 20 7.505 7.505 8.254 -0.749 25331
33 1 1 . 1 1 21 21 SER HA H 21 4.158 4.158 4.268 -0.110 25331
34 1 1 . 1 1 21 21 SER H H 21 8.715 8.715 8.598 0.117 25331
35 1 1 . 1 1 22 22 GLY H H 22 8.908 8.908 8.077 0.831 25331
36 1 1 . 1 1 23 23 THR HA H 23 4.659 4.659 4.461 0.198 25331
37 1 1 . 1 1 23 23 THR H H 23 8.193 8.193 7.667 0.526 25331
38 1 1 . 1 1 24 24 THR HA H 24 4.494 4.494 4.504 -0.010 25331
39 1 1 . 1 1 24 24 THR H H 24 9.377 9.377 7.809 1.568 25331
40 1 1 . 1 1 25 25 CYS HA H 25 4.599 4.599 4.924 -0.325 25331
41 1 1 . 1 1 25 25 CYS H H 25 8.879 8.879 8.955 -0.076 25331
42 1 1 . 1 1 26 26 GLN HA H 26 4.571 4.571 4.572 -0.001 25331
43 1 1 . 1 1 26 26 GLN H H 26 9.023 9.023 8.637 0.386 25331
44 1 1 . 1 1 27 27 VAL HA H 27 4.071 4.071 3.701 0.370 25331
45 1 1 . 1 1 27 27 VAL H H 27 8.687 8.687 8.768 -0.081 25331
46 1 1 . 1 1 28 28 LEU HA H 28 4.714 4.714 4.470 0.244 25331
47 1 1 . 1 1 28 28 LEU H H 28 8.658 8.658 8.472 0.186 25331
48 1 1 . 1 1 29 29 ASN HA H 29 4.912 4.912 5.244 -0.332 25331
49 1 1 . 1 1 29 29 ASN H H 29 8.625 8.625 8.284 0.341 25331
50 1 1 . 1 1 30 30 PRO HA H 30 4.203 4.203 4.485 -0.282 25331
51 1 1 . 1 1 31 31 TYR HA H 31 4.388 4.388 4.682 -0.294 25331
52 1 1 . 1 1 31 31 TYR H H 31 8.703 8.703 7.643 1.060 25331
53 1 1 . 1 1 32 32 TYR HA H 32 4.599 4.599 4.685 -0.086 25331
54 1 1 . 1 1 32 32 TYR H H 32 7.923 7.923 8.000 -0.077 25331
55 1 1 . 1 1 33 33 SER HA H 33 5.198 5.198 4.645 0.553 25331
56 1 1 . 1 1 33 33 SER H H 33 6.671 6.671 7.726 -1.055 25331
57 1 1 . 1 1 34 34 GLN HA H 34 4.789 4.789 5.136 -0.347 25331
58 1 1 . 1 1 34 34 GLN H H 34 9.114 9.114 8.624 0.490 25331
59 1 1 . 1 1 35 35 CYS HA H 35 5.082 5.082 5.451 -0.369 25331
60 1 1 . 1 1 35 35 CYS H H 35 8.487 8.487 8.692 -0.205 25331
61 1 2 . 1 1 2 2 GLN HA H 2 4.922 4.922 4.606 0.316 25331
62 1 2 . 1 1 2 2 GLN H H 2 9.374 9.374 8.920 0.454 25331
63 1 2 . 1 1 3 3 SER HA H 3 4.461 4.461 4.653 -0.192 25331
64 1 2 . 1 1 3 3 SER H H 3 9.232 9.232 7.939 1.293 25331
65 1 2 . 1 1 4 4 HIS HA H 4 3.959 3.959 4.160 -0.201 25331
66 1 2 . 1 1 4 4 HIS H H 4 8.954 8.954 8.577 0.377 25331
67 1 2 . 1 1 5 5 TYR HA H 5 4.020 4.020 4.294 -0.274 25331
68 1 2 . 1 1 5 5 TYR H H 5 9.465 9.465 9.016 0.449 25331
69 1 2 . 1 1 6 6 GLY H H 6 8.769 8.769 7.581 1.188 25331
70 1 2 . 1 1 7 7 GLN HA H 7 4.313 4.313 4.495 -0.182 25331
71 1 2 . 1 1 7 7 GLN H H 7 8.643 8.643 8.520 0.123 25331
72 1 2 . 1 1 8 8 CYS HA H 8 5.245 5.245 4.571 0.674 25331
73 1 2 . 1 1 8 8 CYS H H 8 8.007 8.007 8.162 -0.155 25331
74 1 2 . 1 1 9 9 GLY H H 9 6.666 6.666 7.149 -0.483 25331
75 1 2 . 1 1 10 10 GLY H H 10 8.680 8.680 7.887 0.793 25331
76 1 2 . 1 1 11 11 ILE HA H 11 3.781 3.781 3.886 -0.105 25331
77 1 2 . 1 1 11 11 ILE H H 11 8.301 8.301 8.144 0.157 25331
78 1 2 . 1 1 12 12 GLY H H 12 9.106 9.106 8.330 0.776 25331
79 1 2 . 1 1 13 13 TYR HA H 13 4.576 4.576 4.754 -0.178 25331
80 1 2 . 1 1 13 13 TYR H H 13 7.959 7.959 7.579 0.380 25331
81 1 2 . 1 1 14 14 SER HA H 14 4.476 4.476 4.394 0.082 25331
82 1 2 . 1 1 14 14 SER H H 14 8.336 8.336 8.040 0.296 25331
83 1 2 . 1 1 15 15 GLY H H 15 5.317 5.317 7.075 -1.758 25331
84 1 2 . 1 1 16 16 PRO HA H 16 4.456 4.456 4.417 0.039 25331
85 1 2 . 1 1 17 17 THR HA H 17 4.675 4.675 4.483 0.192 25331
86 1 2 . 1 1 17 17 THR H H 17 8.244 8.244 8.628 -0.384 25331
87 1 2 . 1 1 18 18 VAL HA H 18 4.057 4.057 4.300 -0.243 25331
88 1 2 . 1 1 18 18 VAL H H 18 7.452 7.452 7.579 -0.127 25331
89 1 2 . 1 1 19 19 CYS HA H 19 4.393 4.393 4.755 -0.362 25331
90 1 2 . 1 1 19 19 CYS H H 19 8.735 8.735 8.595 0.140 25331
91 1 2 . 1 1 20 20 ALA HA H 20 4.369 4.369 4.075 0.294 25331
92 1 2 . 1 1 20 20 ALA H H 20 7.505 7.505 8.216 -0.711 25331
93 1 2 . 1 1 21 21 SER HA H 21 4.158 4.158 4.214 -0.056 25331
94 1 2 . 1 1 21 21 SER H H 21 8.715 8.715 8.787 -0.072 25331
95 1 2 . 1 1 22 22 GLY H H 22 8.908 8.908 7.832 1.076 25331
96 1 2 . 1 1 23 23 THR HA H 23 4.659 4.659 4.547 0.112 25331
97 1 2 . 1 1 23 23 THR H H 23 8.193 8.193 7.754 0.439 25331
98 1 2 . 1 1 24 24 THR HA H 24 4.494 4.494 4.568 -0.074 25331
99 1 2 . 1 1 24 24 THR H H 24 9.377 9.377 8.797 0.580 25331
100 1 2 . 1 1 25 25 CYS HA H 25 4.599 4.599 5.108 -0.509 25331
101 1 2 . 1 1 25 25 CYS H H 25 8.879 8.879 8.747 0.132 25331
102 1 2 . 1 1 26 26 GLN HA H 26 4.571 4.571 4.683 -0.112 25331
103 1 2 . 1 1 26 26 GLN H H 26 9.023 9.023 8.684 0.339 25331
104 1 2 . 1 1 27 27 VAL HA H 27 4.071 4.071 3.652 0.419 25331
105 1 2 . 1 1 27 27 VAL H H 27 8.687 8.687 8.683 0.004 25331
106 1 2 . 1 1 28 28 LEU HA H 28 4.714 4.714 4.493 0.221 25331
107 1 2 . 1 1 28 28 LEU H H 28 8.658 8.658 8.612 0.046 25331
108 1 2 . 1 1 29 29 ASN HA H 29 4.912 4.912 5.241 -0.329 25331
109 1 2 . 1 1 29 29 ASN H H 29 8.625 8.625 8.194 0.431 25331
110 1 2 . 1 1 30 30 PRO HA H 30 4.203 4.203 4.559 -0.356 25331
111 1 2 . 1 1 31 31 TYR HA H 31 4.388 4.388 4.693 -0.305 25331
112 1 2 . 1 1 31 31 TYR H H 31 8.703 8.703 7.679 1.024 25331
113 1 2 . 1 1 32 32 TYR HA H 32 4.599 4.599 4.717 -0.118 25331
114 1 2 . 1 1 32 32 TYR H H 32 7.923 7.923 7.992 -0.069 25331
115 1 2 . 1 1 33 33 SER HA H 33 5.198 5.198 4.640 0.558 25331
116 1 2 . 1 1 33 33 SER H H 33 6.671 6.671 7.765 -1.094 25331
117 1 2 . 1 1 34 34 GLN HA H 34 4.789 4.789 5.222 -0.433 25331
118 1 2 . 1 1 34 34 GLN H H 34 9.114 9.114 8.439 0.675 25331
119 1 2 . 1 1 35 35 CYS HA H 35 5.082 5.082 5.649 -0.567 25331
120 1 2 . 1 1 35 35 CYS H H 35 8.487 8.487 8.605 -0.118 25331
121 1 3 . 1 1 2 2 GLN HA H 2 4.922 4.922 4.548 0.374 25331
122 1 3 . 1 1 2 2 GLN H H 2 9.374 9.374 8.971 0.403 25331
123 1 3 . 1 1 3 3 SER HA H 3 4.461 4.461 4.673 -0.212 25331
124 1 3 . 1 1 3 3 SER H H 3 9.232 9.232 7.946 1.286 25331
125 1 3 . 1 1 4 4 HIS HA H 4 3.959 3.959 4.183 -0.224 25331
126 1 3 . 1 1 4 4 HIS H H 4 8.954 8.954 8.576 0.378 25331
127 1 3 . 1 1 5 5 TYR HA H 5 4.020 4.020 4.323 -0.303 25331
128 1 3 . 1 1 5 5 TYR H H 5 9.465 9.465 9.032 0.433 25331
129 1 3 . 1 1 6 6 GLY H H 6 8.769 8.769 7.649 1.120 25331
130 1 3 . 1 1 7 7 GLN HA H 7 4.313 4.313 4.531 -0.218 25331
131 1 3 . 1 1 7 7 GLN H H 7 8.643 8.643 8.340 0.303 25331
132 1 3 . 1 1 8 8 CYS HA H 8 5.245 5.245 4.795 0.450 25331
133 1 3 . 1 1 8 8 CYS H H 8 8.007 8.007 8.029 -0.022 25331
134 1 3 . 1 1 9 9 GLY H H 9 6.666 6.666 7.183 -0.517 25331
135 1 3 . 1 1 10 10 GLY H H 10 8.680 8.680 7.955 0.725 25331
136 1 3 . 1 1 11 11 ILE HA H 11 3.781 3.781 4.448 -0.667 25331
137 1 3 . 1 1 11 11 ILE H H 11 8.301 8.301 8.329 -0.028 25331
138 1 3 . 1 1 12 12 GLY H H 12 9.106 9.106 8.465 0.641 25331
139 1 3 . 1 1 13 13 TYR HA H 13 4.576 4.576 4.772 -0.196 25331
140 1 3 . 1 1 13 13 TYR H H 13 7.959 7.959 7.740 0.219 25331
141 1 3 . 1 1 14 14 SER HA H 14 4.476 4.476 4.381 0.095 25331
142 1 3 . 1 1 14 14 SER H H 14 8.336 8.336 8.278 0.058 25331
143 1 3 . 1 1 15 15 GLY H H 15 5.317 5.317 6.801 -1.484 25331
144 1 3 . 1 1 16 16 PRO HA H 16 4.456 4.456 4.373 0.083 25331
145 1 3 . 1 1 17 17 THR HA H 17 4.675 4.675 4.674 0.001 25331
146 1 3 . 1 1 17 17 THR H H 17 8.244 8.244 8.403 -0.159 25331
147 1 3 . 1 1 18 18 VAL HA H 18 4.057 4.057 4.160 -0.103 25331
148 1 3 . 1 1 18 18 VAL H H 18 7.452 7.452 7.580 -0.128 25331
149 1 3 . 1 1 19 19 CYS HA H 19 4.393 4.393 4.721 -0.328 25331
150 1 3 . 1 1 19 19 CYS H H 19 8.735 8.735 8.622 0.113 25331
151 1 3 . 1 1 20 20 ALA HA H 20 4.369 4.369 4.056 0.313 25331
152 1 3 . 1 1 20 20 ALA H H 20 7.505 7.505 8.222 -0.717 25331
153 1 3 . 1 1 21 21 SER HA H 21 4.158 4.158 4.296 -0.138 25331
154 1 3 . 1 1 21 21 SER H H 21 8.715 8.715 8.814 -0.099 25331
155 1 3 . 1 1 22 22 GLY H H 22 8.908 8.908 7.903 1.005 25331
156 1 3 . 1 1 23 23 THR HA H 23 4.659 4.659 4.457 0.202 25331
157 1 3 . 1 1 23 23 THR H H 23 8.193 8.193 7.668 0.525 25331
158 1 3 . 1 1 24 24 THR HA H 24 4.494 4.494 4.493 0.001 25331
159 1 3 . 1 1 24 24 THR H H 24 9.377 9.377 7.895 1.482 25331
160 1 3 . 1 1 25 25 CYS HA H 25 4.599 4.599 5.152 -0.553 25331
161 1 3 . 1 1 25 25 CYS H H 25 8.879 8.879 8.731 0.148 25331
162 1 3 . 1 1 26 26 GLN HA H 26 4.571 4.571 4.701 -0.130 25331
163 1 3 . 1 1 26 26 GLN H H 26 9.023 9.023 8.650 0.373 25331
164 1 3 . 1 1 27 27 VAL HA H 27 4.071 4.071 3.693 0.378 25331
165 1 3 . 1 1 27 27 VAL H H 27 8.687 8.687 8.779 -0.092 25331
166 1 3 . 1 1 28 28 LEU HA H 28 4.714 4.714 4.590 0.124 25331
167 1 3 . 1 1 28 28 LEU H H 28 8.658 8.658 8.686 -0.028 25331
168 1 3 . 1 1 29 29 ASN HA H 29 4.912 4.912 5.240 -0.328 25331
169 1 3 . 1 1 29 29 ASN H H 29 8.625 8.625 8.235 0.390 25331
170 1 3 . 1 1 30 30 PRO HA H 30 4.203 4.203 4.536 -0.333 25331
171 1 3 . 1 1 31 31 TYR HA H 31 4.388 4.388 4.688 -0.300 25331
172 1 3 . 1 1 31 31 TYR H H 31 8.703 8.703 7.674 1.029 25331
173 1 3 . 1 1 32 32 TYR HA H 32 4.599 4.599 4.984 -0.385 25331
174 1 3 . 1 1 32 32 TYR H H 32 7.923 7.923 8.180 -0.257 25331
175 1 3 . 1 1 33 33 SER HA H 33 5.198 5.198 4.747 0.451 25331
176 1 3 . 1 1 33 33 SER H H 33 6.671 6.671 7.898 -1.227 25331
177 1 3 . 1 1 34 34 GLN HA H 34 4.789 4.789 4.932 -0.143 25331
178 1 3 . 1 1 34 34 GLN H H 34 9.114 9.114 8.480 0.634 25331
179 1 3 . 1 1 35 35 CYS HA H 35 5.082 5.082 5.547 -0.465 25331
180 1 3 . 1 1 35 35 CYS H H 35 8.487 8.487 8.363 0.124 25331
181 1 4 . 1 1 2 2 GLN HA H 2 4.922 4.922 4.709 0.213 25331
182 1 4 . 1 1 2 2 GLN H H 2 9.374 9.374 8.787 0.587 25331
183 1 4 . 1 1 3 3 SER HA H 3 4.461 4.461 4.783 -0.322 25331
184 1 4 . 1 1 3 3 SER H H 3 9.232 9.232 8.364 0.868 25331
185 1 4 . 1 1 4 4 HIS HA H 4 3.959 3.959 4.259 -0.300 25331
186 1 4 . 1 1 4 4 HIS H H 4 8.954 8.954 8.655 0.299 25331
187 1 4 . 1 1 5 5 TYR HA H 5 4.020 4.020 4.241 -0.221 25331
188 1 4 . 1 1 5 5 TYR H H 5 9.465 9.465 8.793 0.672 25331
189 1 4 . 1 1 6 6 GLY H H 6 8.769 8.769 7.482 1.287 25331
190 1 4 . 1 1 7 7 GLN HA H 7 4.313 4.313 4.635 -0.322 25331
191 1 4 . 1 1 7 7 GLN H H 7 8.643 8.643 8.386 0.257 25331
192 1 4 . 1 1 8 8 CYS HA H 8 5.245 5.245 4.822 0.423 25331
193 1 4 . 1 1 8 8 CYS H H 8 8.007 8.007 8.223 -0.216 25331
194 1 4 . 1 1 9 9 GLY H H 9 6.666 6.666 7.195 -0.529 25331
195 1 4 . 1 1 10 10 GLY H H 10 8.680 8.680 7.801 0.879 25331
196 1 4 . 1 1 11 11 ILE HA H 11 3.781 3.781 3.958 -0.177 25331
197 1 4 . 1 1 11 11 ILE H H 11 8.301 8.301 8.247 0.054 25331
198 1 4 . 1 1 12 12 GLY H H 12 9.106 9.106 8.509 0.597 25331
199 1 4 . 1 1 13 13 TYR HA H 13 4.576 4.576 4.742 -0.166 25331
200 1 4 . 1 1 13 13 TYR H H 13 7.959 7.959 7.658 0.301 25331
201 1 4 . 1 1 14 14 SER HA H 14 4.476 4.476 4.350 0.126 25331
202 1 4 . 1 1 14 14 SER H H 14 8.336 8.336 8.028 0.308 25331
203 1 4 . 1 1 15 15 GLY H H 15 5.317 5.317 6.504 -1.187 25331
204 1 4 . 1 1 16 16 PRO HA H 16 4.456 4.456 4.315 0.141 25331
205 1 4 . 1 1 17 17 THR HA H 17 4.675 4.675 4.470 0.205 25331
206 1 4 . 1 1 17 17 THR H H 17 8.244 8.244 8.519 -0.275 25331
207 1 4 . 1 1 18 18 VAL HA H 18 4.057 4.057 4.310 -0.253 25331
208 1 4 . 1 1 18 18 VAL H H 18 7.452 7.452 7.371 0.081 25331
209 1 4 . 1 1 19 19 CYS HA H 19 4.393 4.393 4.659 -0.266 25331
210 1 4 . 1 1 19 19 CYS H H 19 8.735 8.735 8.781 -0.046 25331
211 1 4 . 1 1 20 20 ALA HA H 20 4.369 4.369 4.020 0.349 25331
212 1 4 . 1 1 20 20 ALA H H 20 7.505 7.505 8.622 -1.117 25331
213 1 4 . 1 1 21 21 SER HA H 21 4.158 4.158 4.161 -0.003 25331
214 1 4 . 1 1 21 21 SER H H 21 8.715 8.715 8.870 -0.155 25331
215 1 4 . 1 1 22 22 GLY H H 22 8.908 8.908 8.016 0.892 25331
216 1 4 . 1 1 23 23 THR HA H 23 4.659 4.659 4.538 0.121 25331
217 1 4 . 1 1 23 23 THR H H 23 8.193 8.193 7.818 0.375 25331
218 1 4 . 1 1 24 24 THR HA H 24 4.494 4.494 4.359 0.135 25331
219 1 4 . 1 1 24 24 THR H H 24 9.377 9.377 8.083 1.294 25331
220 1 4 . 1 1 25 25 CYS HA H 25 4.599 4.599 5.078 -0.479 25331
221 1 4 . 1 1 25 25 CYS H H 25 8.879 8.879 8.336 0.543 25331
222 1 4 . 1 1 26 26 GLN HA H 26 4.571 4.571 4.716 -0.145 25331
223 1 4 . 1 1 26 26 GLN H H 26 9.023 9.023 9.139 -0.116 25331
224 1 4 . 1 1 27 27 VAL HA H 27 4.071 4.071 3.685 0.386 25331
225 1 4 . 1 1 27 27 VAL H H 27 8.687 8.687 8.623 0.064 25331
226 1 4 . 1 1 28 28 LEU HA H 28 4.714 4.714 4.475 0.239 25331
227 1 4 . 1 1 28 28 LEU H H 28 8.658 8.658 8.509 0.149 25331
228 1 4 . 1 1 29 29 ASN HA H 29 4.912 4.912 5.219 -0.307 25331
229 1 4 . 1 1 29 29 ASN H H 29 8.625 8.625 8.323 0.302 25331
230 1 4 . 1 1 30 30 PRO HA H 30 4.203 4.203 4.512 -0.309 25331
231 1 4 . 1 1 31 31 TYR HA H 31 4.388 4.388 4.668 -0.280 25331
232 1 4 . 1 1 31 31 TYR H H 31 8.703 8.703 7.609 1.094 25331
233 1 4 . 1 1 32 32 TYR HA H 32 4.599 4.599 4.721 -0.122 25331
234 1 4 . 1 1 32 32 TYR H H 32 7.923 7.923 7.903 0.020 25331
235 1 4 . 1 1 33 33 SER HA H 33 5.198 5.198 4.605 0.593 25331
236 1 4 . 1 1 33 33 SER H H 33 6.671 6.671 7.788 -1.117 25331
237 1 4 . 1 1 34 34 GLN HA H 34 4.789 4.789 5.291 -0.502 25331
238 1 4 . 1 1 34 34 GLN H H 34 9.114 9.114 8.429 0.685 25331
239 1 4 . 1 1 35 35 CYS HA H 35 5.082 5.082 5.372 -0.290 25331
240 1 4 . 1 1 35 35 CYS H H 35 8.487 8.487 8.617 -0.130 25331
241 1 5 . 1 1 2 2 GLN HA H 2 4.922 4.922 4.563 0.359 25331
242 1 5 . 1 1 2 2 GLN H H 2 9.374 9.374 8.812 0.562 25331
243 1 5 . 1 1 3 3 SER HA H 3 4.461 4.461 4.730 -0.269 25331
244 1 5 . 1 1 3 3 SER H H 3 9.232 9.232 8.107 1.125 25331
245 1 5 . 1 1 4 4 HIS HA H 4 3.959 3.959 4.244 -0.285 25331
246 1 5 . 1 1 4 4 HIS H H 4 8.954 8.954 8.492 0.462 25331
247 1 5 . 1 1 5 5 TYR HA H 5 4.020 4.020 4.350 -0.330 25331
248 1 5 . 1 1 5 5 TYR H H 5 9.465 9.465 9.032 0.433 25331
249 1 5 . 1 1 6 6 GLY H H 6 8.769 8.769 7.737 1.032 25331
250 1 5 . 1 1 7 7 GLN HA H 7 4.313 4.313 4.407 -0.094 25331
251 1 5 . 1 1 7 7 GLN H H 7 8.643 8.643 8.481 0.162 25331
252 1 5 . 1 1 8 8 CYS HA H 8 5.245 5.245 4.750 0.495 25331
253 1 5 . 1 1 8 8 CYS H H 8 8.007 8.007 8.165 -0.158 25331
254 1 5 . 1 1 9 9 GLY H H 9 6.666 6.666 7.107 -0.441 25331
255 1 5 . 1 1 10 10 GLY H H 10 8.680 8.680 7.901 0.779 25331
256 1 5 . 1 1 11 11 ILE HA H 11 3.781 3.781 3.942 -0.161 25331
257 1 5 . 1 1 11 11 ILE H H 11 8.301 8.301 8.047 0.254 25331
258 1 5 . 1 1 12 12 GLY H H 12 9.106 9.106 8.439 0.667 25331
259 1 5 . 1 1 13 13 TYR HA H 13 4.576 4.576 4.763 -0.187 25331
260 1 5 . 1 1 13 13 TYR H H 13 7.959 7.959 7.583 0.376 25331
261 1 5 . 1 1 14 14 SER HA H 14 4.476 4.476 4.364 0.112 25331
262 1 5 . 1 1 14 14 SER H H 14 8.336 8.336 8.189 0.147 25331
263 1 5 . 1 1 15 15 GLY H H 15 5.317 5.317 6.276 -0.959 25331
264 1 5 . 1 1 16 16 PRO HA H 16 4.456 4.456 4.410 0.046 25331
265 1 5 . 1 1 17 17 THR HA H 17 4.675 4.675 4.653 0.022 25331
266 1 5 . 1 1 17 17 THR H H 17 8.244 8.244 8.513 -0.269 25331
267 1 5 . 1 1 18 18 VAL HA H 18 4.057 4.057 4.334 -0.277 25331
268 1 5 . 1 1 18 18 VAL H H 18 7.452 7.452 7.741 -0.289 25331
269 1 5 . 1 1 19 19 CYS HA H 19 4.393 4.393 4.590 -0.197 25331
270 1 5 . 1 1 19 19 CYS H H 19 8.735 8.735 8.718 0.017 25331
271 1 5 . 1 1 20 20 ALA HA H 20 4.369 4.369 4.034 0.335 25331
272 1 5 . 1 1 20 20 ALA H H 20 7.505 7.505 8.239 -0.734 25331
273 1 5 . 1 1 21 21 SER HA H 21 4.158 4.158 4.255 -0.097 25331
274 1 5 . 1 1 21 21 SER H H 21 8.715 8.715 8.875 -0.160 25331
275 1 5 . 1 1 22 22 GLY H H 22 8.908 8.908 7.822 1.086 25331
276 1 5 . 1 1 23 23 THR HA H 23 4.659 4.659 4.566 0.093 25331
277 1 5 . 1 1 23 23 THR H H 23 8.193 8.193 7.712 0.481 25331
278 1 5 . 1 1 24 24 THR HA H 24 4.494 4.494 4.577 -0.083 25331
279 1 5 . 1 1 24 24 THR H H 24 9.377 9.377 8.848 0.529 25331
280 1 5 . 1 1 25 25 CYS HA H 25 4.599 4.599 4.978 -0.379 25331
281 1 5 . 1 1 25 25 CYS H H 25 8.879 8.879 8.786 0.093 25331
282 1 5 . 1 1 26 26 GLN HA H 26 4.571 4.571 4.630 -0.059 25331
283 1 5 . 1 1 26 26 GLN H H 26 9.023 9.023 8.350 0.673 25331
284 1 5 . 1 1 27 27 VAL HA H 27 4.071 4.071 3.686 0.385 25331
285 1 5 . 1 1 27 27 VAL H H 27 8.687 8.687 8.816 -0.129 25331
286 1 5 . 1 1 28 28 LEU HA H 28 4.714 4.714 4.597 0.117 25331
287 1 5 . 1 1 28 28 LEU H H 28 8.658 8.658 8.729 -0.071 25331
288 1 5 . 1 1 29 29 ASN HA H 29 4.912 4.912 5.251 -0.339 25331
289 1 5 . 1 1 29 29 ASN H H 29 8.625 8.625 8.244 0.381 25331
290 1 5 . 1 1 30 30 PRO HA H 30 4.203 4.203 4.548 -0.345 25331
291 1 5 . 1 1 31 31 TYR HA H 31 4.388 4.388 4.702 -0.314 25331
292 1 5 . 1 1 31 31 TYR H H 31 8.703 8.703 7.684 1.019 25331
293 1 5 . 1 1 32 32 TYR HA H 32 4.599 4.599 4.726 -0.127 25331
294 1 5 . 1 1 32 32 TYR H H 32 7.923 7.923 8.021 -0.098 25331
295 1 5 . 1 1 33 33 SER HA H 33 5.198 5.198 4.614 0.585 25331
296 1 5 . 1 1 33 33 SER H H 33 6.671 6.671 7.904 -1.233 25331
297 1 5 . 1 1 34 34 GLN HA H 34 4.789 4.789 5.060 -0.271 25331
298 1 5 . 1 1 34 34 GLN H H 34 9.114 9.114 8.447 0.667 25331
299 1 5 . 1 1 35 35 CYS HA H 35 5.082 5.082 5.452 -0.370 25331
300 1 5 . 1 1 35 35 CYS H H 35 8.487 8.487 8.420 0.067 25331
301 1 6 . 1 1 2 2 GLN HA H 2 4.922 4.922 4.596 0.326 25331
302 1 6 . 1 1 2 2 GLN H H 2 9.374 9.374 8.896 0.478 25331
303 1 6 . 1 1 3 3 SER HA H 3 4.461 4.461 4.704 -0.243 25331
304 1 6 . 1 1 3 3 SER H H 3 9.232 9.232 8.033 1.199 25331
305 1 6 . 1 1 4 4 HIS HA H 4 3.959 3.959 4.255 -0.296 25331
306 1 6 . 1 1 4 4 HIS H H 4 8.954 8.954 8.515 0.439 25331
307 1 6 . 1 1 5 5 TYR HA H 5 4.020 4.020 4.327 -0.307 25331
308 1 6 . 1 1 5 5 TYR H H 5 9.465 9.465 8.948 0.517 25331
309 1 6 . 1 1 6 6 GLY H H 6 8.769 8.769 7.523 1.246 25331
310 1 6 . 1 1 7 7 GLN HA H 7 4.313 4.313 4.374 -0.061 25331
311 1 6 . 1 1 7 7 GLN H H 7 8.643 8.643 8.243 0.400 25331
312 1 6 . 1 1 8 8 CYS HA H 8 5.245 5.245 5.119 0.126 25331
313 1 6 . 1 1 8 8 CYS H H 8 8.007 8.007 8.269 -0.262 25331
314 1 6 . 1 1 9 9 GLY H H 9 6.666 6.666 7.182 -0.516 25331
315 1 6 . 1 1 10 10 GLY H H 10 8.680 8.680 7.809 0.871 25331
316 1 6 . 1 1 11 11 ILE HA H 11 3.781 3.781 3.951 -0.170 25331
317 1 6 . 1 1 11 11 ILE H H 11 8.301 8.301 8.131 0.170 25331
318 1 6 . 1 1 12 12 GLY H H 12 9.106 9.106 8.408 0.698 25331
319 1 6 . 1 1 13 13 TYR HA H 13 4.576 4.576 4.777 -0.201 25331
320 1 6 . 1 1 13 13 TYR H H 13 7.959 7.959 7.619 0.340 25331
321 1 6 . 1 1 14 14 SER HA H 14 4.476 4.476 4.366 0.110 25331
322 1 6 . 1 1 14 14 SER H H 14 8.336 8.336 8.395 -0.059 25331
323 1 6 . 1 1 15 15 GLY H H 15 5.317 5.317 6.706 -1.389 25331
324 1 6 . 1 1 16 16 PRO HA H 16 4.456 4.456 4.425 0.031 25331
325 1 6 . 1 1 17 17 THR HA H 17 4.675 4.675 4.677 -0.002 25331
326 1 6 . 1 1 17 17 THR H H 17 8.244 8.244 8.354 -0.110 25331
327 1 6 . 1 1 18 18 VAL HA H 18 4.057 4.057 4.199 -0.142 25331
328 1 6 . 1 1 18 18 VAL H H 18 7.452 7.452 7.504 -0.052 25331
329 1 6 . 1 1 19 19 CYS HA H 19 4.393 4.393 4.728 -0.335 25331
330 1 6 . 1 1 19 19 CYS H H 19 8.735 8.735 8.644 0.091 25331
331 1 6 . 1 1 20 20 ALA HA H 20 4.369 4.369 4.058 0.311 25331
332 1 6 . 1 1 20 20 ALA H H 20 7.505 7.505 8.287 -0.782 25331
333 1 6 . 1 1 21 21 SER HA H 21 4.158 4.158 4.269 -0.111 25331
334 1 6 . 1 1 21 21 SER H H 21 8.715 8.715 8.863 -0.148 25331
335 1 6 . 1 1 22 22 GLY H H 22 8.908 8.908 7.857 1.051 25331
336 1 6 . 1 1 23 23 THR HA H 23 4.659 4.659 4.584 0.075 25331
337 1 6 . 1 1 23 23 THR H H 23 8.193 8.193 7.660 0.533 25331
338 1 6 . 1 1 24 24 THR HA H 24 4.494 4.494 4.555 -0.061 25331
339 1 6 . 1 1 24 24 THR H H 24 9.377 9.377 8.838 0.539 25331
340 1 6 . 1 1 25 25 CYS HA H 25 4.599 4.599 5.044 -0.445 25331
341 1 6 . 1 1 25 25 CYS H H 25 8.879 8.879 8.785 0.094 25331
342 1 6 . 1 1 26 26 GLN HA H 26 4.571 4.571 4.714 -0.143 25331
343 1 6 . 1 1 26 26 GLN H H 26 9.023 9.023 8.637 0.386 25331
344 1 6 . 1 1 27 27 VAL HA H 27 4.071 4.071 3.723 0.348 25331
345 1 6 . 1 1 27 27 VAL H H 27 8.687 8.687 8.764 -0.077 25331
346 1 6 . 1 1 28 28 LEU HA H 28 4.714 4.714 4.388 0.326 25331
347 1 6 . 1 1 28 28 LEU H H 28 8.658 8.658 8.627 0.031 25331
348 1 6 . 1 1 29 29 ASN HA H 29 4.912 4.912 5.235 -0.323 25331
349 1 6 . 1 1 29 29 ASN H H 29 8.625 8.625 8.015 0.610 25331
350 1 6 . 1 1 30 30 PRO HA H 30 4.203 4.203 4.511 -0.308 25331
351 1 6 . 1 1 31 31 TYR HA H 31 4.388 4.388 4.703 -0.315 25331
352 1 6 . 1 1 31 31 TYR H H 31 8.703 8.703 7.694 1.009 25331
353 1 6 . 1 1 32 32 TYR HA H 32 4.599 4.599 4.694 -0.095 25331
354 1 6 . 1 1 32 32 TYR H H 32 7.923 7.923 7.979 -0.056 25331
355 1 6 . 1 1 33 33 SER HA H 33 5.198 5.198 4.668 0.530 25331
356 1 6 . 1 1 33 33 SER H H 33 6.671 6.671 7.669 -0.998 25331
357 1 6 . 1 1 34 34 GLN HA H 34 4.789 4.789 5.168 -0.379 25331
358 1 6 . 1 1 34 34 GLN H H 34 9.114 9.114 8.466 0.648 25331
359 1 6 . 1 1 35 35 CYS HA H 35 5.082 5.082 5.631 -0.549 25331
360 1 6 . 1 1 35 35 CYS H H 35 8.487 8.487 8.692 -0.205 25331
361 1 7 . 1 1 2 2 GLN HA H 2 4.922 4.922 4.418 0.504 25331
362 1 7 . 1 1 2 2 GLN H H 2 9.374 9.374 8.656 0.718 25331
363 1 7 . 1 1 3 3 SER HA H 3 4.461 4.461 4.719 -0.258 25331
364 1 7 . 1 1 3 3 SER H H 3 9.232 9.232 8.198 1.034 25331
365 1 7 . 1 1 4 4 HIS HA H 4 3.959 3.959 4.350 -0.391 25331
366 1 7 . 1 1 4 4 HIS H H 4 8.954 8.954 8.586 0.368 25331
367 1 7 . 1 1 5 5 TYR HA H 5 4.020 4.020 4.281 -0.261 25331
368 1 7 . 1 1 5 5 TYR H H 5 9.465 9.465 8.632 0.833 25331
369 1 7 . 1 1 6 6 GLY H H 6 8.769 8.769 7.726 1.043 25331
370 1 7 . 1 1 7 7 GLN HA H 7 4.313 4.313 4.612 -0.299 25331
371 1 7 . 1 1 7 7 GLN H H 7 8.643 8.643 8.506 0.137 25331
372 1 7 . 1 1 8 8 CYS HA H 8 5.245 5.245 4.759 0.486 25331
373 1 7 . 1 1 8 8 CYS H H 8 8.007 8.007 8.294 -0.287 25331
374 1 7 . 1 1 9 9 GLY H H 9 6.666 6.666 7.259 -0.593 25331
375 1 7 . 1 1 10 10 GLY H H 10 8.680 8.680 7.454 1.226 25331
376 1 7 . 1 1 11 11 ILE HA H 11 3.781 3.781 4.293 -0.512 25331
377 1 7 . 1 1 11 11 ILE H H 11 8.301 8.301 8.047 0.254 25331
378 1 7 . 1 1 12 12 GLY H H 12 9.106 9.106 8.403 0.703 25331
379 1 7 . 1 1 13 13 TYR HA H 13 4.576 4.576 4.754 -0.178 25331
380 1 7 . 1 1 13 13 TYR H H 13 7.959 7.959 7.487 0.472 25331
381 1 7 . 1 1 14 14 SER HA H 14 4.476 4.476 4.440 0.036 25331
382 1 7 . 1 1 14 14 SER H H 14 8.336 8.336 8.060 0.276 25331
383 1 7 . 1 1 15 15 GLY H H 15 5.317 5.317 6.666 -1.349 25331
384 1 7 . 1 1 16 16 PRO HA H 16 4.456 4.456 4.424 0.032 25331
385 1 7 . 1 1 17 17 THR HA H 17 4.675 4.675 4.558 0.117 25331
386 1 7 . 1 1 17 17 THR H H 17 8.244 8.244 8.476 -0.232 25331
387 1 7 . 1 1 18 18 VAL HA H 18 4.057 4.057 4.411 -0.354 25331
388 1 7 . 1 1 18 18 VAL H H 18 7.452 7.452 7.277 0.175 25331
389 1 7 . 1 1 19 19 CYS HA H 19 4.393 4.393 4.799 -0.406 25331
390 1 7 . 1 1 19 19 CYS H H 19 8.735 8.735 8.468 0.267 25331
391 1 7 . 1 1 20 20 ALA HA H 20 4.369 4.369 4.085 0.284 25331
392 1 7 . 1 1 20 20 ALA H H 20 7.505 7.505 8.404 -0.899 25331
393 1 7 . 1 1 21 21 SER HA H 21 4.158 4.158 3.979 0.179 25331
394 1 7 . 1 1 21 21 SER H H 21 8.715 8.715 8.936 -0.221 25331
395 1 7 . 1 1 22 22 GLY H H 22 8.908 8.908 8.356 0.552 25331
396 1 7 . 1 1 23 23 THR HA H 23 4.659 4.659 4.438 0.221 25331
397 1 7 . 1 1 23 23 THR H H 23 8.193 8.193 7.598 0.595 25331
398 1 7 . 1 1 24 24 THR HA H 24 4.494 4.494 4.470 0.024 25331
399 1 7 . 1 1 24 24 THR H H 24 9.377 9.377 8.114 1.263 25331
400 1 7 . 1 1 25 25 CYS HA H 25 4.599 4.599 4.907 -0.308 25331
401 1 7 . 1 1 25 25 CYS H H 25 8.879 8.879 8.517 0.362 25331
402 1 7 . 1 1 26 26 GLN HA H 26 4.571 4.571 4.693 -0.122 25331
403 1 7 . 1 1 26 26 GLN H H 26 9.023 9.023 9.148 -0.125 25331
404 1 7 . 1 1 27 27 VAL HA H 27 4.071 4.071 3.745 0.326 25331
405 1 7 . 1 1 27 27 VAL H H 27 8.687 8.687 8.690 -0.003 25331
406 1 7 . 1 1 28 28 LEU HA H 28 4.714 4.714 4.502 0.212 25331
407 1 7 . 1 1 28 28 LEU H H 28 8.658 8.658 8.390 0.268 25331
408 1 7 . 1 1 29 29 ASN HA H 29 4.912 4.912 5.223 -0.311 25331
409 1 7 . 1 1 29 29 ASN H H 29 8.625 8.625 8.481 0.144 25331
410 1 7 . 1 1 30 30 PRO HA H 30 4.203 4.203 4.574 -0.371 25331
411 1 7 . 1 1 31 31 TYR HA H 31 4.388 4.388 4.667 -0.279 25331
412 1 7 . 1 1 31 31 TYR H H 31 8.703 8.703 7.687 1.016 25331
413 1 7 . 1 1 32 32 TYR HA H 32 4.599 4.599 4.716 -0.117 25331
414 1 7 . 1 1 32 32 TYR H H 32 7.923 7.923 7.979 -0.056 25331
415 1 7 . 1 1 33 33 SER HA H 33 5.198 5.198 4.659 0.539 25331
416 1 7 . 1 1 33 33 SER H H 33 6.671 6.671 7.825 -1.154 25331
417 1 7 . 1 1 34 34 GLN HA H 34 4.789 4.789 5.237 -0.448 25331
418 1 7 . 1 1 34 34 GLN H H 34 9.114 9.114 8.450 0.664 25331
419 1 7 . 1 1 35 35 CYS HA H 35 5.082 5.082 5.676 -0.594 25331
420 1 7 . 1 1 35 35 CYS H H 35 8.487 8.487 8.586 -0.099 25331
421 1 8 . 1 1 2 2 GLN HA H 2 4.922 4.922 4.472 0.450 25331
422 1 8 . 1 1 2 2 GLN H H 2 9.374 9.374 8.601 0.773 25331
423 1 8 . 1 1 3 3 SER HA H 3 4.461 4.461 4.805 -0.344 25331
424 1 8 . 1 1 3 3 SER H H 3 9.232 9.232 8.268 0.964 25331
425 1 8 . 1 1 4 4 HIS HA H 4 3.959 3.959 4.399 -0.440 25331
426 1 8 . 1 1 4 4 HIS H H 4 8.954 8.954 8.644 0.310 25331
427 1 8 . 1 1 5 5 TYR HA H 5 4.020 4.020 4.280 -0.260 25331
428 1 8 . 1 1 5 5 TYR H H 5 9.465 9.465 8.603 0.862 25331
429 1 8 . 1 1 6 6 GLY H H 6 8.769 8.769 7.498 1.271 25331
430 1 8 . 1 1 7 7 GLN HA H 7 4.313 4.313 4.513 -0.200 25331
431 1 8 . 1 1 7 7 GLN H H 7 8.643 8.643 8.250 0.393 25331
432 1 8 . 1 1 8 8 CYS HA H 8 5.245 5.245 4.909 0.336 25331
433 1 8 . 1 1 8 8 CYS H H 8 8.007 8.007 8.350 -0.343 25331
434 1 8 . 1 1 9 9 GLY H H 9 6.666 6.666 7.317 -0.651 25331
435 1 8 . 1 1 10 10 GLY H H 10 8.680 8.680 7.459 1.221 25331
436 1 8 . 1 1 11 11 ILE HA H 11 3.781 3.781 3.888 -0.107 25331
437 1 8 . 1 1 11 11 ILE H H 11 8.301 8.301 9.002 -0.701 25331
438 1 8 . 1 1 12 12 GLY H H 12 9.106 9.106 8.290 0.816 25331
439 1 8 . 1 1 13 13 TYR HA H 13 4.576 4.576 4.741 -0.165 25331
440 1 8 . 1 1 13 13 TYR H H 13 7.959 7.959 7.781 0.178 25331
441 1 8 . 1 1 14 14 SER HA H 14 4.476 4.476 4.430 0.046 25331
442 1 8 . 1 1 14 14 SER H H 14 8.336 8.336 8.352 -0.016 25331
443 1 8 . 1 1 15 15 GLY H H 15 5.317 5.317 6.947 -1.630 25331
444 1 8 . 1 1 16 16 PRO HA H 16 4.456 4.456 4.554 -0.098 25331
445 1 8 . 1 1 17 17 THR HA H 17 4.675 4.675 4.728 -0.053 25331
446 1 8 . 1 1 17 17 THR H H 17 8.244 8.244 8.365 -0.121 25331
447 1 8 . 1 1 18 18 VAL HA H 18 4.057 4.057 4.241 -0.184 25331
448 1 8 . 1 1 18 18 VAL H H 18 7.452 7.452 7.194 0.258 25331
449 1 8 . 1 1 19 19 CYS HA H 19 4.393 4.393 4.651 -0.258 25331
450 1 8 . 1 1 19 19 CYS H H 19 8.735 8.735 8.561 0.174 25331
451 1 8 . 1 1 20 20 ALA HA H 20 4.369 4.369 4.063 0.306 25331
452 1 8 . 1 1 20 20 ALA H H 20 7.505 7.505 8.419 -0.914 25331
453 1 8 . 1 1 21 21 SER HA H 21 4.158 4.158 4.074 0.084 25331
454 1 8 . 1 1 21 21 SER H H 21 8.715 8.715 8.605 0.110 25331
455 1 8 . 1 1 22 22 GLY H H 22 8.908 8.908 8.472 0.436 25331
456 1 8 . 1 1 23 23 THR HA H 23 4.659 4.659 4.349 0.310 25331
457 1 8 . 1 1 23 23 THR H H 23 8.193 8.193 7.365 0.828 25331
458 1 8 . 1 1 24 24 THR HA H 24 4.494 4.494 4.505 -0.011 25331
459 1 8 . 1 1 24 24 THR H H 24 9.377 9.377 8.362 1.015 25331
460 1 8 . 1 1 25 25 CYS HA H 25 4.599 4.599 4.913 -0.314 25331
461 1 8 . 1 1 25 25 CYS H H 25 8.879 8.879 8.843 0.036 25331
462 1 8 . 1 1 26 26 GLN HA H 26 4.571 4.571 4.707 -0.136 25331
463 1 8 . 1 1 26 26 GLN H H 26 9.023 9.023 9.278 -0.255 25331
464 1 8 . 1 1 27 27 VAL HA H 27 4.071 4.071 3.970 0.101 25331
465 1 8 . 1 1 27 27 VAL H H 27 8.687 8.687 8.564 0.123 25331
466 1 8 . 1 1 28 28 LEU HA H 28 4.714 4.714 4.669 0.045 25331
467 1 8 . 1 1 28 28 LEU H H 28 8.658 8.658 8.350 0.308 25331
468 1 8 . 1 1 29 29 ASN HA H 29 4.912 4.912 5.279 -0.367 25331
469 1 8 . 1 1 29 29 ASN H H 29 8.625 8.625 7.913 0.712 25331
470 1 8 . 1 1 30 30 PRO HA H 30 4.203 4.203 4.348 -0.145 25331
471 1 8 . 1 1 31 31 TYR HA H 31 4.388 4.388 4.634 -0.246 25331
472 1 8 . 1 1 31 31 TYR H H 31 8.703 8.703 7.907 0.796 25331
473 1 8 . 1 1 32 32 TYR HA H 32 4.599 4.599 4.675 -0.076 25331
474 1 8 . 1 1 32 32 TYR H H 32 7.923 7.923 8.029 -0.106 25331
475 1 8 . 1 1 33 33 SER HA H 33 5.198 5.198 4.684 0.514 25331
476 1 8 . 1 1 33 33 SER H H 33 6.671 6.671 8.031 -1.360 25331
477 1 8 . 1 1 34 34 GLN HA H 34 4.789 4.789 5.153 -0.364 25331
478 1 8 . 1 1 34 34 GLN H H 34 9.114 9.114 8.921 0.193 25331
479 1 8 . 1 1 35 35 CYS HA H 35 5.082 5.082 5.694 -0.612 25331
480 1 8 . 1 1 35 35 CYS H H 35 8.487 8.487 8.729 -0.242 25331
481 1 9 . 1 1 2 2 GLN HA H 2 4.922 4.922 4.634 0.288 25331
482 1 9 . 1 1 2 2 GLN H H 2 9.374 9.374 8.855 0.519 25331
483 1 9 . 1 1 3 3 SER HA H 3 4.461 4.461 4.662 -0.201 25331
484 1 9 . 1 1 3 3 SER H H 3 9.232 9.232 8.023 1.209 25331
485 1 9 . 1 1 4 4 HIS HA H 4 3.959 3.959 4.195 -0.236 25331
486 1 9 . 1 1 4 4 HIS H H 4 8.954 8.954 8.566 0.388 25331
487 1 9 . 1 1 5 5 TYR HA H 5 4.020 4.020 4.295 -0.275 25331
488 1 9 . 1 1 5 5 TYR H H 5 9.465 9.465 9.035 0.430 25331
489 1 9 . 1 1 6 6 GLY H H 6 8.769 8.769 7.523 1.246 25331
490 1 9 . 1 1 7 7 GLN HA H 7 4.313 4.313 4.439 -0.126 25331
491 1 9 . 1 1 7 7 GLN H H 7 8.643 8.643 8.548 0.095 25331
492 1 9 . 1 1 8 8 CYS HA H 8 5.245 5.245 4.817 0.428 25331
493 1 9 . 1 1 8 8 CYS H H 8 8.007 8.007 8.322 -0.315 25331
494 1 9 . 1 1 9 9 GLY H H 9 6.666 6.666 7.243 -0.577 25331
495 1 9 . 1 1 10 10 GLY H H 10 8.680 8.680 7.631 1.049 25331
496 1 9 . 1 1 11 11 ILE HA H 11 3.781 3.781 3.902 -0.121 25331
497 1 9 . 1 1 11 11 ILE H H 11 8.301 8.301 8.398 -0.097 25331
498 1 9 . 1 1 12 12 GLY H H 12 9.106 9.106 8.377 0.729 25331
499 1 9 . 1 1 13 13 TYR HA H 13 4.576 4.576 4.769 -0.193 25331
500 1 9 . 1 1 13 13 TYR H H 13 7.959 7.959 7.542 0.417 25331
501 1 9 . 1 1 14 14 SER HA H 14 4.476 4.476 4.355 0.121 25331
502 1 9 . 1 1 14 14 SER H H 14 8.336 8.336 8.163 0.173 25331
503 1 9 . 1 1 15 15 GLY H H 15 5.317 5.317 6.675 -1.358 25331
504 1 9 . 1 1 16 16 PRO HA H 16 4.456 4.456 4.387 0.069 25331
505 1 9 . 1 1 17 17 THR HA H 17 4.675 4.675 4.505 0.170 25331
506 1 9 . 1 1 17 17 THR H H 17 8.244 8.244 8.587 -0.343 25331
507 1 9 . 1 1 18 18 VAL HA H 18 4.057 4.057 4.205 -0.148 25331
508 1 9 . 1 1 18 18 VAL H H 18 7.452 7.452 7.580 -0.128 25331
509 1 9 . 1 1 19 19 CYS HA H 19 4.393 4.393 4.809 -0.416 25331
510 1 9 . 1 1 19 19 CYS H H 19 8.735 8.735 8.671 0.064 25331
511 1 9 . 1 1 20 20 ALA HA H 20 4.369 4.369 4.050 0.319 25331
512 1 9 . 1 1 20 20 ALA H H 20 7.505 7.505 8.124 -0.619 25331
513 1 9 . 1 1 21 21 SER HA H 21 4.158 4.158 4.245 -0.087 25331
514 1 9 . 1 1 21 21 SER H H 21 8.715 8.715 8.846 -0.131 25331
515 1 9 . 1 1 22 22 GLY H H 22 8.908 8.908 7.872 1.036 25331
516 1 9 . 1 1 23 23 THR HA H 23 4.659 4.659 4.452 0.207 25331
517 1 9 . 1 1 23 23 THR H H 23 8.193 8.193 7.647 0.546 25331
518 1 9 . 1 1 24 24 THR HA H 24 4.494 4.494 4.586 -0.092 25331
519 1 9 . 1 1 24 24 THR H H 24 9.377 9.377 8.681 0.696 25331
520 1 9 . 1 1 25 25 CYS HA H 25 4.599 4.599 4.914 -0.315 25331
521 1 9 . 1 1 25 25 CYS H H 25 8.879 8.879 8.892 -0.013 25331
522 1 9 . 1 1 26 26 GLN HA H 26 4.571 4.571 4.597 -0.026 25331
523 1 9 . 1 1 26 26 GLN H H 26 9.023 9.023 8.571 0.452 25331
524 1 9 . 1 1 27 27 VAL HA H 27 4.071 4.071 3.733 0.338 25331
525 1 9 . 1 1 27 27 VAL H H 27 8.687 8.687 8.714 -0.027 25331
526 1 9 . 1 1 28 28 LEU HA H 28 4.714 4.714 4.415 0.299 25331
527 1 9 . 1 1 28 28 LEU H H 28 8.658 8.658 8.630 0.028 25331
528 1 9 . 1 1 29 29 ASN HA H 29 4.912 4.912 5.231 -0.319 25331
529 1 9 . 1 1 29 29 ASN H H 29 8.625 8.625 8.194 0.431 25331
530 1 9 . 1 1 30 30 PRO HA H 30 4.203 4.203 4.542 -0.339 25331
531 1 9 . 1 1 31 31 TYR HA H 31 4.388 4.388 4.714 -0.326 25331
532 1 9 . 1 1 31 31 TYR H H 31 8.703 8.703 7.736 0.967 25331
533 1 9 . 1 1 32 32 TYR HA H 32 4.599 4.599 4.669 -0.070 25331
534 1 9 . 1 1 32 32 TYR H H 32 7.923 7.923 8.182 -0.259 25331
535 1 9 . 1 1 33 33 SER HA H 33 5.198 5.198 4.690 0.508 25331
536 1 9 . 1 1 33 33 SER H H 33 6.671 6.671 7.840 -1.169 25331
537 1 9 . 1 1 34 34 GLN HA H 34 4.789 4.789 5.195 -0.406 25331
538 1 9 . 1 1 34 34 GLN H H 34 9.114 9.114 8.354 0.760 25331
539 1 9 . 1 1 35 35 CYS HA H 35 5.082 5.082 5.415 -0.333 25331
540 1 9 . 1 1 35 35 CYS H H 35 8.487 8.487 8.630 -0.143 25331
541 1 10 . 1 1 2 2 GLN HA H 2 4.922 4.922 4.544 0.378 25331
542 1 10 . 1 1 2 2 GLN H H 2 9.374 9.374 8.663 0.711 25331
543 1 10 . 1 1 3 3 SER HA H 3 4.461 4.461 4.478 -0.017 25331
544 1 10 . 1 1 3 3 SER H H 3 9.232 9.232 8.489 0.743 25331
545 1 10 . 1 1 4 4 HIS HA H 4 3.959 3.959 4.175 -0.216 25331
546 1 10 . 1 1 4 4 HIS H H 4 8.954 8.954 8.504 0.450 25331
547 1 10 . 1 1 5 5 TYR HA H 5 4.020 4.020 4.240 -0.221 25331
548 1 10 . 1 1 5 5 TYR H H 5 9.465 9.465 9.082 0.383 25331
549 1 10 . 1 1 6 6 GLY H H 6 8.769 8.769 7.462 1.307 25331
550 1 10 . 1 1 7 7 GLN HA H 7 4.313 4.313 4.461 -0.148 25331
551 1 10 . 1 1 7 7 GLN H H 7 8.643 8.643 8.331 0.312 25331
552 1 10 . 1 1 8 8 CYS HA H 8 5.245 5.245 4.916 0.329 25331
553 1 10 . 1 1 8 8 CYS H H 8 8.007 8.007 8.447 -0.440 25331
554 1 10 . 1 1 9 9 GLY H H 9 6.666 6.666 7.187 -0.521 25331
555 1 10 . 1 1 10 10 GLY H H 10 8.680 8.680 7.693 0.987 25331
556 1 10 . 1 1 11 11 ILE HA H 11 3.781 3.781 4.357 -0.576 25331
557 1 10 . 1 1 11 11 ILE H H 11 8.301 8.301 8.283 0.018 25331
558 1 10 . 1 1 12 12 GLY H H 12 9.106 9.106 8.391 0.715 25331
559 1 10 . 1 1 13 13 TYR HA H 13 4.576 4.576 4.740 -0.164 25331
560 1 10 . 1 1 13 13 TYR H H 13 7.959 7.959 7.642 0.317 25331
561 1 10 . 1 1 14 14 SER HA H 14 4.476 4.476 4.357 0.119 25331
562 1 10 . 1 1 14 14 SER H H 14 8.336 8.336 8.552 -0.216 25331
563 1 10 . 1 1 15 15 GLY H H 15 5.317 5.317 6.789 -1.472 25331
564 1 10 . 1 1 16 16 PRO HA H 16 4.456 4.456 4.429 0.027 25331
565 1 10 . 1 1 17 17 THR HA H 17 4.675 4.675 4.474 0.201 25331
566 1 10 . 1 1 17 17 THR H H 17 8.244 8.244 8.433 -0.189 25331
567 1 10 . 1 1 18 18 VAL HA H 18 4.057 4.057 4.214 -0.157 25331
568 1 10 . 1 1 18 18 VAL H H 18 7.452 7.452 7.431 0.021 25331
569 1 10 . 1 1 19 19 CYS HA H 19 4.393 4.393 4.669 -0.276 25331
570 1 10 . 1 1 19 19 CYS H H 19 8.735 8.735 8.539 0.196 25331
571 1 10 . 1 1 20 20 ALA HA H 20 4.369 4.369 4.142 0.227 25331
572 1 10 . 1 1 20 20 ALA H H 20 7.505 7.505 8.249 -0.744 25331
573 1 10 . 1 1 21 21 SER HA H 21 4.158 4.158 4.224 -0.066 25331
574 1 10 . 1 1 21 21 SER H H 21 8.715 8.715 8.821 -0.106 25331
575 1 10 . 1 1 22 22 GLY H H 22 8.908 8.908 8.111 0.797 25331
576 1 10 . 1 1 23 23 THR HA H 23 4.659 4.659 4.568 0.091 25331
577 1 10 . 1 1 23 23 THR H H 23 8.193 8.193 7.627 0.566 25331
578 1 10 . 1 1 24 24 THR HA H 24 4.494 4.494 4.591 -0.097 25331
579 1 10 . 1 1 24 24 THR H H 24 9.377 9.377 8.739 0.638 25331
580 1 10 . 1 1 25 25 CYS HA H 25 4.599 4.599 4.912 -0.313 25331
581 1 10 . 1 1 25 25 CYS H H 25 8.879 8.879 8.518 0.361 25331
582 1 10 . 1 1 26 26 GLN HA H 26 4.571 4.571 4.687 -0.116 25331
583 1 10 . 1 1 26 26 GLN H H 26 9.023 9.023 8.618 0.405 25331
584 1 10 . 1 1 27 27 VAL HA H 27 4.071 4.071 4.031 0.040 25331
585 1 10 . 1 1 27 27 VAL H H 27 8.687 8.687 8.497 0.190 25331
586 1 10 . 1 1 28 28 LEU HA H 28 4.714 4.714 4.590 0.124 25331
587 1 10 . 1 1 28 28 LEU H H 28 8.658 8.658 8.416 0.242 25331
588 1 10 . 1 1 29 29 ASN HA H 29 4.912 4.912 5.216 -0.304 25331
589 1 10 . 1 1 29 29 ASN H H 29 8.625 8.625 7.975 0.650 25331
590 1 10 . 1 1 30 30 PRO HA H 30 4.203 4.203 4.520 -0.317 25331
591 1 10 . 1 1 31 31 TYR HA H 31 4.388 4.388 4.667 -0.279 25331
592 1 10 . 1 1 31 31 TYR H H 31 8.703 8.703 7.762 0.941 25331
593 1 10 . 1 1 32 32 TYR HA H 32 4.599 4.599 4.725 -0.126 25331
594 1 10 . 1 1 32 32 TYR H H 32 7.923 7.923 8.064 -0.141 25331
595 1 10 . 1 1 33 33 SER HA H 33 5.198 5.198 4.712 0.486 25331
596 1 10 . 1 1 33 33 SER H H 33 6.671 6.671 7.926 -1.255 25331
597 1 10 . 1 1 34 34 GLN HA H 34 4.789 4.789 5.069 -0.280 25331
598 1 10 . 1 1 34 34 GLN H H 34 9.114 9.114 8.760 0.354 25331
599 1 10 . 1 1 35 35 CYS HA H 35 5.082 5.082 5.499 -0.417 25331
600 1 10 . 1 1 35 35 CYS H H 35 8.487 8.487 8.722 -0.235 25331
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 25331
2 1 1 "Average Difference" HA 40 0.295 0.084 0.286 25331
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25331
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25331
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25331
6 1 1 "Average Difference" HN 32 0.665 -0.242 0.629 25331
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25331
8 1 2 "Average Difference" HA 40 0.338 0.092 0.329 25331
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25331
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25331
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25331
12 1 2 "Average Difference" HN 32 0.659 -0.194 0.640 25331
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25331
14 1 3 "Average Difference" HA 40 0.327 0.113 0.311 25331
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25331
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25331
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25331
18 1 3 "Average Difference" HN 32 0.670 -0.207 0.648 25331
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25331
20 1 4 "Average Difference" HA 40 0.318 0.083 0.311 25331
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25331
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25331
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25331
24 1 4 "Average Difference" HN 32 0.655 -0.210 0.631 25331
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25331
26 1 5 "Average Difference" HA 40 0.312 0.084 0.304 25331
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25331
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25331
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25331
30 1 5 "Average Difference" HN 32 0.601 -0.202 0.575 25331
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25331
32 1 6 "Average Difference" HA 40 0.306 0.101 0.292 25331
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25331
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25331
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25331
36 1 6 "Average Difference" HN 32 0.634 -0.209 0.608 25331
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25331
38 1 7 "Average Difference" HA 40 0.343 0.098 0.333 25331
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25331
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25331
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25331
42 1 7 "Average Difference" HN 32 0.672 -0.230 0.642 25331
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25331
44 1 8 "Average Difference" HA 40 0.315 0.096 0.304 25331
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25331
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25331
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25331
48 1 8 "Average Difference" HN 32 0.710 -0.170 0.701 25331
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25331
50 1 9 "Average Difference" HA 40 0.303 0.072 0.298 25331
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25331
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25331
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25331
54 1 9 "Average Difference" HN 32 0.649 -0.189 0.631 25331
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25331
56 1 10 "Average Difference" HA 40 0.309 0.115 0.290 25331
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25331
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25331
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25331
60 1 10 "Average Difference" HN 32 0.636 -0.187 0.618 25331
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 25331
_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 GLN HA H 2 4.922 4.922 4.566 0.356 25331
2 1 . 1 1 2 2 GLN H H 2 9.374 9.374 8.756 0.618 25331
3 1 . 1 1 3 3 SER HA H 3 4.461 4.461 4.668 -0.206 25331
4 1 . 1 1 3 3 SER H H 3 9.232 9.232 8.186 1.046 25331
5 1 . 1 1 4 4 HIS HA H 4 3.959 3.959 4.227 -0.268 25331
6 1 . 1 1 4 4 HIS H H 4 8.954 8.954 8.560 0.394 25331
7 1 . 1 1 5 5 TYR HA H 5 4.020 4.020 4.296 -0.276 25331
8 1 . 1 1 5 5 TYR H H 5 9.465 9.465 8.925 0.540 25331
9 1 . 1 1 6 6 GLY H H 6 8.769 8.769 7.573 1.196 25331
10 1 . 1 1 7 7 GLN HA H 7 4.313 4.313 4.503 -0.190 25331
11 1 . 1 1 7 7 GLN H H 7 8.643 8.643 8.384 0.259 25331
12 1 . 1 1 8 8 CYS HA H 8 5.245 5.245 4.888 0.357 25331
13 1 . 1 1 8 8 CYS H H 8 8.007 8.007 8.253 -0.246 25331
14 1 . 1 1 9 9 GLY H H 9 6.666 6.666 7.191 -0.525 25331
15 1 . 1 1 10 10 GLY H H 10 8.680 8.680 7.751 0.929 25331
16 1 . 1 1 11 11 ILE HA H 11 3.781 3.781 4.060 -0.280 25331
17 1 . 1 1 11 11 ILE H H 11 8.301 8.301 8.294 0.007 25331
18 1 . 1 1 12 12 GLY H H 12 9.106 9.106 8.418 0.688 25331
19 1 . 1 1 13 13 TYR HA H 13 4.576 4.576 4.758 -0.182 25331
20 1 . 1 1 13 13 TYR H H 13 7.959 7.959 7.618 0.341 25331
21 1 . 1 1 14 14 SER HA H 14 4.476 4.476 4.370 0.106 25331
22 1 . 1 1 14 14 SER H H 14 8.336 8.336 8.189 0.147 25331
23 1 . 1 1 15 15 GLY H H 15 5.317 5.317 6.722 -1.406 25331
24 1 . 1 1 16 16 PRO HA H 16 4.456 4.456 4.406 0.051 25331
25 1 . 1 1 17 17 THR HA H 17 4.675 4.675 4.578 0.098 25331
26 1 . 1 1 17 17 THR H H 17 8.244 8.244 8.466 -0.222 25331
27 1 . 1 1 18 18 VAL HA H 18 4.057 4.057 4.261 -0.204 25331
28 1 . 1 1 18 18 VAL H H 18 7.452 7.452 7.450 0.002 25331
29 1 . 1 1 19 19 CYS HA H 19 4.393 4.393 4.713 -0.320 25331
30 1 . 1 1 19 19 CYS H H 19 8.735 8.735 8.618 0.117 25331
31 1 . 1 1 20 20 ALA HA H 20 4.369 4.369 4.067 0.302 25331
32 1 . 1 1 20 20 ALA H H 20 7.505 7.505 8.304 -0.799 25331
33 1 . 1 1 21 21 SER HA H 21 4.158 4.158 4.199 -0.040 25331
34 1 . 1 1 21 21 SER H H 21 8.715 8.715 8.802 -0.086 25331
35 1 . 1 1 22 22 GLY H H 22 8.908 8.908 8.032 0.876 25331
36 1 . 1 1 23 23 THR HA H 23 4.659 4.659 4.496 0.163 25331
37 1 . 1 1 23 23 THR H H 23 8.193 8.193 7.652 0.541 25331
38 1 . 1 1 24 24 THR HA H 24 4.494 4.494 4.521 -0.027 25331
39 1 . 1 1 24 24 THR H H 24 9.377 9.377 8.417 0.960 25331
40 1 . 1 1 25 25 CYS HA H 25 4.599 4.599 4.993 -0.394 25331
41 1 . 1 1 25 25 CYS H H 25 8.879 8.879 8.711 0.168 25331
42 1 . 1 1 26 26 GLN HA H 26 4.571 4.571 4.670 -0.099 25331
43 1 . 1 1 26 26 GLN H H 26 9.023 9.023 8.771 0.252 25331
44 1 . 1 1 27 27 VAL HA H 27 4.071 4.071 3.762 0.309 25331
45 1 . 1 1 27 27 VAL H H 27 8.687 8.687 8.690 -0.003 25331
46 1 . 1 1 28 28 LEU HA H 28 4.714 4.714 4.519 0.195 25331
47 1 . 1 1 28 28 LEU H H 28 8.658 8.658 8.542 0.116 25331
48 1 . 1 1 29 29 ASN HA H 29 4.912 4.912 5.238 -0.326 25331
49 1 . 1 1 29 29 ASN H H 29 8.625 8.625 8.186 0.439 25331
50 1 . 1 1 30 30 PRO HA H 30 4.203 4.203 4.514 -0.310 25331
51 1 . 1 1 31 31 TYR HA H 31 4.388 4.388 4.682 -0.294 25331
52 1 . 1 1 31 31 TYR H H 31 8.703 8.703 7.708 0.996 25331
53 1 . 1 1 32 32 TYR HA H 32 4.599 4.599 4.731 -0.132 25331
54 1 . 1 1 32 32 TYR H H 32 7.923 7.923 8.033 -0.110 25331
55 1 . 1 1 33 33 SER HA H 33 5.198 5.198 4.666 0.532 25331
56 1 . 1 1 33 33 SER H H 33 6.671 6.671 7.837 -1.166 25331
57 1 . 1 1 34 34 GLN HA H 34 4.789 4.789 5.146 -0.357 25331
58 1 . 1 1 34 34 GLN H H 34 9.114 9.114 8.537 0.577 25331
59 1 . 1 1 35 35 CYS HA H 35 5.082 5.082 5.539 -0.457 25331
60 1 . 1 1 35 35 CYS H H 35 8.487 8.487 8.606 -0.119 25331
stop_
save_