data_17699
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 17699
_Entry.PDB_ID 2LE7
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 17699
_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 VAL HA H 533 4.157 4.157 3.910 0.247 17699
2 1 1 . 1 1 2 2 VAL H H 533 8.690 8.690 8.556 0.134 17699
3 1 1 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.282 0.064 17699
4 1 1 . 1 1 3 3 ARG H H 534 8.630 8.630 8.611 0.019 17699
5 1 1 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.986 0.084 17699
6 1 1 . 1 1 4 4 VAL H H 535 8.244 8.244 7.642 0.602 17699
7 1 1 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.620 -0.356 17699
8 1 1 . 1 1 5 5 ALA H H 536 8.435 8.435 7.579 0.856 17699
9 1 1 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.386 -0.039 17699
10 1 1 . 1 1 6 6 ARG H H 537 8.264 8.264 8.411 -0.147 17699
11 1 1 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.052 0.297 17699
12 1 1 . 1 1 7 7 LYS H H 538 8.377 8.377 7.726 0.651 17699
13 1 1 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.045 0.143 17699
14 1 1 . 1 1 8 8 LEU H H 539 8.136 8.136 8.891 -0.755 17699
15 1 1 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.759 -0.326 17699
16 1 1 . 1 1 9 9 ASP H H 540 8.037 8.037 8.348 -0.311 17699
17 1 1 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.672 -0.506 17699
18 1 1 . 1 1 10 10 ARG H H 541 8.127 8.127 7.956 0.171 17699
19 1 1 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.455 0.077 17699
20 1 1 . 1 1 11 11 TYR H H 542 8.032 8.032 8.067 -0.035 17699
21 1 1 . 1 1 12 12 SER HA H 543 4.163 4.163 3.775 0.388 17699
22 1 1 . 1 1 12 12 SER H H 543 8.329 8.329 8.532 -0.203 17699
23 1 1 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.246 -0.114 17699
24 1 1 . 1 1 13 13 GLU H H 544 8.265 8.265 7.697 0.568 17699
25 1 1 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.719 -0.305 17699
26 1 1 . 1 1 14 14 TYR H H 545 7.910 7.910 7.438 0.472 17699
27 1 1 . 1 1 15 15 GLY H H 546 8.464 8.464 8.535 -0.071 17699
28 1 1 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.312 -0.236 17699
29 1 1 . 1 1 16 16 ALA H H 547 8.457 8.457 8.197 0.260 17699
30 1 1 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.485 -0.333 17699
31 1 1 . 1 1 17 17 ALA H H 548 7.873 7.873 7.784 0.089 17699
32 1 1 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.130 -0.299 17699
33 1 1 . 1 1 18 18 VAL H H 549 7.678 7.678 8.186 -0.508 17699
34 1 1 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.437 -0.421 17699
35 1 1 . 1 1 19 19 LEU H H 550 7.737 7.737 7.919 -0.182 17699
36 1 2 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.437 -0.280 17699
37 1 2 . 1 1 2 2 VAL H H 533 8.690 8.690 8.645 0.045 17699
38 1 2 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.417 -0.071 17699
39 1 2 . 1 1 3 3 ARG H H 534 8.630 8.630 8.555 0.075 17699
40 1 2 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.891 0.179 17699
41 1 2 . 1 1 4 4 VAL H H 535 8.244 8.244 8.155 0.089 17699
42 1 2 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.559 -0.295 17699
43 1 2 . 1 1 5 5 ALA H H 536 8.435 8.435 7.486 0.949 17699
44 1 2 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.477 -0.130 17699
45 1 2 . 1 1 6 6 ARG H H 537 8.264 8.264 8.601 -0.337 17699
46 1 2 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.159 0.190 17699
47 1 2 . 1 1 7 7 LYS H H 538 8.377 8.377 7.654 0.723 17699
48 1 2 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.039 0.149 17699
49 1 2 . 1 1 8 8 LEU H H 539 8.136 8.136 9.023 -0.887 17699
50 1 2 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.727 -0.294 17699
51 1 2 . 1 1 9 9 ASP H H 540 8.037 8.037 8.182 -0.145 17699
52 1 2 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.662 -0.496 17699
53 1 2 . 1 1 10 10 ARG H H 541 8.127 8.127 7.872 0.255 17699
54 1 2 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.487 0.045 17699
55 1 2 . 1 1 11 11 TYR H H 542 8.032 8.032 8.184 -0.152 17699
56 1 2 . 1 1 12 12 SER HA H 543 4.163 4.163 3.772 0.391 17699
57 1 2 . 1 1 12 12 SER H H 543 8.329 8.329 8.530 -0.201 17699
58 1 2 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.256 -0.124 17699
59 1 2 . 1 1 13 13 GLU H H 544 8.265 8.265 7.803 0.462 17699
60 1 2 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.702 -0.288 17699
61 1 2 . 1 1 14 14 TYR H H 545 7.910 7.910 7.410 0.500 17699
62 1 2 . 1 1 15 15 GLY H H 546 8.464 8.464 8.498 -0.034 17699
63 1 2 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.282 -0.206 17699
64 1 2 . 1 1 16 16 ALA H H 547 8.457 8.457 8.165 0.292 17699
65 1 2 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.488 -0.336 17699
66 1 2 . 1 1 17 17 ALA H H 548 7.873 7.873 7.787 0.086 17699
67 1 2 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.141 -0.310 17699
68 1 2 . 1 1 18 18 VAL H H 549 7.678 7.678 8.012 -0.334 17699
69 1 2 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.442 -0.426 17699
70 1 2 . 1 1 19 19 LEU H H 550 7.737 7.737 8.065 -0.328 17699
71 1 3 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.366 -0.209 17699
72 1 3 . 1 1 2 2 VAL H H 533 8.690 8.690 8.661 0.029 17699
73 1 3 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.398 -0.052 17699
74 1 3 . 1 1 3 3 ARG H H 534 8.630 8.630 8.597 0.033 17699
75 1 3 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.898 0.172 17699
76 1 3 . 1 1 4 4 VAL H H 535 8.244 8.244 8.114 0.130 17699
77 1 3 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.534 -0.270 17699
78 1 3 . 1 1 5 5 ALA H H 536 8.435 8.435 7.482 0.953 17699
79 1 3 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.465 -0.118 17699
80 1 3 . 1 1 6 6 ARG H H 537 8.264 8.264 8.555 -0.291 17699
81 1 3 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.054 0.295 17699
82 1 3 . 1 1 7 7 LYS H H 538 8.377 8.377 7.769 0.608 17699
83 1 3 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.059 0.129 17699
84 1 3 . 1 1 8 8 LEU H H 539 8.136 8.136 8.888 -0.752 17699
85 1 3 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.745 -0.312 17699
86 1 3 . 1 1 9 9 ASP H H 540 8.037 8.037 8.286 -0.249 17699
87 1 3 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.672 -0.506 17699
88 1 3 . 1 1 10 10 ARG H H 541 8.127 8.127 8.033 0.094 17699
89 1 3 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.410 0.122 17699
90 1 3 . 1 1 11 11 TYR H H 542 8.032 8.032 8.123 -0.091 17699
91 1 3 . 1 1 12 12 SER HA H 543 4.163 4.163 3.738 0.425 17699
92 1 3 . 1 1 12 12 SER H H 543 8.329 8.329 8.515 -0.186 17699
93 1 3 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.235 -0.103 17699
94 1 3 . 1 1 13 13 GLU H H 544 8.265 8.265 7.695 0.570 17699
95 1 3 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.721 -0.307 17699
96 1 3 . 1 1 14 14 TYR H H 545 7.910 7.910 7.526 0.384 17699
97 1 3 . 1 1 15 15 GLY H H 546 8.464 8.464 8.510 -0.046 17699
98 1 3 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.302 -0.226 17699
99 1 3 . 1 1 16 16 ALA H H 547 8.457 8.457 8.127 0.330 17699
100 1 3 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.485 -0.333 17699
101 1 3 . 1 1 17 17 ALA H H 548 7.873 7.873 7.787 0.086 17699
102 1 3 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.150 -0.319 17699
103 1 3 . 1 1 18 18 VAL H H 549 7.678 7.678 8.005 -0.327 17699
104 1 3 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.447 -0.431 17699
105 1 3 . 1 1 19 19 LEU H H 550 7.737 7.737 8.017 -0.280 17699
106 1 4 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.087 0.070 17699
107 1 4 . 1 1 2 2 VAL H H 533 8.690 8.690 8.450 0.240 17699
108 1 4 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.314 0.032 17699
109 1 4 . 1 1 3 3 ARG H H 534 8.630 8.630 8.610 0.020 17699
110 1 4 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.952 0.118 17699
111 1 4 . 1 1 4 4 VAL H H 535 8.244 8.244 7.649 0.595 17699
112 1 4 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.491 -0.227 17699
113 1 4 . 1 1 5 5 ALA H H 536 8.435 8.435 7.510 0.925 17699
114 1 4 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.437 -0.090 17699
115 1 4 . 1 1 6 6 ARG H H 537 8.264 8.264 8.441 -0.177 17699
116 1 4 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.122 0.227 17699
117 1 4 . 1 1 7 7 LYS H H 538 8.377 8.377 7.631 0.746 17699
118 1 4 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.010 0.178 17699
119 1 4 . 1 1 8 8 LEU H H 539 8.136 8.136 8.975 -0.839 17699
120 1 4 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.808 -0.375 17699
121 1 4 . 1 1 9 9 ASP H H 540 8.037 8.037 8.204 -0.167 17699
122 1 4 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.579 -0.413 17699
123 1 4 . 1 1 10 10 ARG H H 541 8.127 8.127 7.901 0.226 17699
124 1 4 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.461 0.071 17699
125 1 4 . 1 1 11 11 TYR H H 542 8.032 8.032 8.225 -0.193 17699
126 1 4 . 1 1 12 12 SER HA H 543 4.163 4.163 3.763 0.400 17699
127 1 4 . 1 1 12 12 SER H H 543 8.329 8.329 8.522 -0.193 17699
128 1 4 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.257 -0.125 17699
129 1 4 . 1 1 13 13 GLU H H 544 8.265 8.265 7.770 0.495 17699
130 1 4 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.704 -0.290 17699
131 1 4 . 1 1 14 14 TYR H H 545 7.910 7.910 7.366 0.544 17699
132 1 4 . 1 1 15 15 GLY H H 546 8.464 8.464 8.515 -0.051 17699
133 1 4 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.295 -0.219 17699
134 1 4 . 1 1 16 16 ALA H H 547 8.457 8.457 8.127 0.330 17699
135 1 4 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.489 -0.337 17699
136 1 4 . 1 1 17 17 ALA H H 548 7.873 7.873 7.784 0.089 17699
137 1 4 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.130 -0.299 17699
138 1 4 . 1 1 18 18 VAL H H 549 7.678 7.678 8.080 -0.402 17699
139 1 4 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.436 -0.420 17699
140 1 4 . 1 1 19 19 LEU H H 550 7.737 7.737 7.993 -0.256 17699
141 1 5 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.037 0.120 17699
142 1 5 . 1 1 2 2 VAL H H 533 8.690 8.690 8.489 0.201 17699
143 1 5 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.362 -0.016 17699
144 1 5 . 1 1 3 3 ARG H H 534 8.630 8.630 8.525 0.105 17699
145 1 5 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.973 0.097 17699
146 1 5 . 1 1 4 4 VAL H H 535 8.244 8.244 7.883 0.361 17699
147 1 5 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.506 -0.242 17699
148 1 5 . 1 1 5 5 ALA H H 536 8.435 8.435 7.460 0.975 17699
149 1 5 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.395 -0.048 17699
150 1 5 . 1 1 6 6 ARG H H 537 8.264 8.264 8.471 -0.207 17699
151 1 5 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.116 0.233 17699
152 1 5 . 1 1 7 7 LYS H H 538 8.377 8.377 7.581 0.796 17699
153 1 5 . 1 1 8 8 LEU HA H 539 4.188 4.188 3.974 0.214 17699
154 1 5 . 1 1 8 8 LEU H H 539 8.136 8.136 8.986 -0.850 17699
155 1 5 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.722 -0.289 17699
156 1 5 . 1 1 9 9 ASP H H 540 8.037 8.037 8.217 -0.180 17699
157 1 5 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.678 -0.512 17699
158 1 5 . 1 1 10 10 ARG H H 541 8.127 8.127 7.847 0.280 17699
159 1 5 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.483 0.049 17699
160 1 5 . 1 1 11 11 TYR H H 542 8.032 8.032 8.198 -0.166 17699
161 1 5 . 1 1 12 12 SER HA H 543 4.163 4.163 3.761 0.402 17699
162 1 5 . 1 1 12 12 SER H H 543 8.329 8.329 8.542 -0.213 17699
163 1 5 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.253 -0.121 17699
164 1 5 . 1 1 13 13 GLU H H 544 8.265 8.265 7.741 0.524 17699
165 1 5 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.706 -0.292 17699
166 1 5 . 1 1 14 14 TYR H H 545 7.910 7.910 7.344 0.566 17699
167 1 5 . 1 1 15 15 GLY H H 546 8.464 8.464 8.516 -0.052 17699
168 1 5 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.283 -0.207 17699
169 1 5 . 1 1 16 16 ALA H H 547 8.457 8.457 8.106 0.351 17699
170 1 5 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.493 -0.341 17699
171 1 5 . 1 1 17 17 ALA H H 548 7.873 7.873 7.797 0.076 17699
172 1 5 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.142 -0.311 17699
173 1 5 . 1 1 18 18 VAL H H 549 7.678 7.678 8.035 -0.357 17699
174 1 5 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.440 -0.424 17699
175 1 5 . 1 1 19 19 LEU H H 550 7.737 7.737 8.042 -0.305 17699
176 1 6 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.128 0.029 17699
177 1 6 . 1 1 2 2 VAL H H 533 8.690 8.690 8.434 0.256 17699
178 1 6 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.354 -0.008 17699
179 1 6 . 1 1 3 3 ARG H H 534 8.630 8.630 8.573 0.057 17699
180 1 6 . 1 1 4 4 VAL HA H 535 4.070 4.070 4.073 -0.003 17699
181 1 6 . 1 1 4 4 VAL H H 535 8.244 8.244 8.105 0.139 17699
182 1 6 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.604 -0.340 17699
183 1 6 . 1 1 5 5 ALA H H 536 8.435 8.435 7.544 0.891 17699
184 1 6 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.420 -0.073 17699
185 1 6 . 1 1 6 6 ARG H H 537 8.264 8.264 8.488 -0.224 17699
186 1 6 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.061 0.288 17699
187 1 6 . 1 1 7 7 LYS H H 538 8.377 8.377 7.579 0.798 17699
188 1 6 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.015 0.173 17699
189 1 6 . 1 1 8 8 LEU H H 539 8.136 8.136 9.061 -0.925 17699
190 1 6 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.778 -0.345 17699
191 1 6 . 1 1 9 9 ASP H H 540 8.037 8.037 8.244 -0.207 17699
192 1 6 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.567 -0.401 17699
193 1 6 . 1 1 10 10 ARG H H 541 8.127 8.127 8.130 -0.003 17699
194 1 6 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.460 0.072 17699
195 1 6 . 1 1 11 11 TYR H H 542 8.032 8.032 8.122 -0.090 17699
196 1 6 . 1 1 12 12 SER HA H 543 4.163 4.163 3.760 0.403 17699
197 1 6 . 1 1 12 12 SER H H 543 8.329 8.329 8.536 -0.207 17699
198 1 6 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.251 -0.119 17699
199 1 6 . 1 1 13 13 GLU H H 544 8.265 8.265 7.807 0.458 17699
200 1 6 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.704 -0.290 17699
201 1 6 . 1 1 14 14 TYR H H 545 7.910 7.910 7.425 0.485 17699
202 1 6 . 1 1 15 15 GLY H H 546 8.464 8.464 8.525 -0.061 17699
203 1 6 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.296 -0.220 17699
204 1 6 . 1 1 16 16 ALA H H 547 8.457 8.457 8.184 0.273 17699
205 1 6 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.474 -0.322 17699
206 1 6 . 1 1 17 17 ALA H H 548 7.873 7.873 7.711 0.162 17699
207 1 6 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.061 -0.230 17699
208 1 6 . 1 1 18 18 VAL H H 549 7.678 7.678 8.106 -0.428 17699
209 1 6 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.437 -0.421 17699
210 1 6 . 1 1 19 19 LEU H H 550 7.737 7.737 7.978 -0.241 17699
211 1 7 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.497 -0.340 17699
212 1 7 . 1 1 2 2 VAL H H 533 8.690 8.690 8.032 0.658 17699
213 1 7 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.488 -0.142 17699
214 1 7 . 1 1 3 3 ARG H H 534 8.630 8.630 8.481 0.149 17699
215 1 7 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.900 0.170 17699
216 1 7 . 1 1 4 4 VAL H H 535 8.244 8.244 7.955 0.289 17699
217 1 7 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.443 -0.179 17699
218 1 7 . 1 1 5 5 ALA H H 536 8.435 8.435 7.552 0.883 17699
219 1 7 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.430 -0.083 17699
220 1 7 . 1 1 6 6 ARG H H 537 8.264 8.264 8.541 -0.277 17699
221 1 7 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.020 0.329 17699
222 1 7 . 1 1 7 7 LYS H H 538 8.377 8.377 7.779 0.598 17699
223 1 7 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.084 0.104 17699
224 1 7 . 1 1 8 8 LEU H H 539 8.136 8.136 9.148 -1.012 17699
225 1 7 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.760 -0.327 17699
226 1 7 . 1 1 9 9 ASP H H 540 8.037 8.037 8.207 -0.170 17699
227 1 7 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.567 -0.401 17699
228 1 7 . 1 1 10 10 ARG H H 541 8.127 8.127 7.940 0.187 17699
229 1 7 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.494 0.038 17699
230 1 7 . 1 1 11 11 TYR H H 542 8.032 8.032 8.194 -0.162 17699
231 1 7 . 1 1 12 12 SER HA H 543 4.163 4.163 3.810 0.353 17699
232 1 7 . 1 1 12 12 SER H H 543 8.329 8.329 8.569 -0.240 17699
233 1 7 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.270 -0.138 17699
234 1 7 . 1 1 13 13 GLU H H 544 8.265 8.265 7.738 0.527 17699
235 1 7 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.704 -0.290 17699
236 1 7 . 1 1 14 14 TYR H H 545 7.910 7.910 7.348 0.562 17699
237 1 7 . 1 1 15 15 GLY H H 546 8.464 8.464 8.533 -0.069 17699
238 1 7 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.291 -0.215 17699
239 1 7 . 1 1 16 16 ALA H H 547 8.457 8.457 8.093 0.364 17699
240 1 7 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.483 -0.331 17699
241 1 7 . 1 1 17 17 ALA H H 548 7.873 7.873 7.737 0.136 17699
242 1 7 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.126 -0.295 17699
243 1 7 . 1 1 18 18 VAL H H 549 7.678 7.678 8.275 -0.597 17699
244 1 7 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.415 -0.399 17699
245 1 7 . 1 1 19 19 LEU H H 550 7.737 7.737 7.891 -0.154 17699
246 1 8 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.589 -0.432 17699
247 1 8 . 1 1 2 2 VAL H H 533 8.690 8.690 8.124 0.566 17699
248 1 8 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.444 -0.098 17699
249 1 8 . 1 1 3 3 ARG H H 534 8.630 8.630 8.488 0.142 17699
250 1 8 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.899 0.171 17699
251 1 8 . 1 1 4 4 VAL H H 535 8.244 8.244 7.941 0.303 17699
252 1 8 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.488 -0.224 17699
253 1 8 . 1 1 5 5 ALA H H 536 8.435 8.435 7.555 0.880 17699
254 1 8 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.468 -0.121 17699
255 1 8 . 1 1 6 6 ARG H H 537 8.264 8.264 8.633 -0.369 17699
256 1 8 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.084 0.265 17699
257 1 8 . 1 1 7 7 LYS H H 538 8.377 8.377 7.749 0.628 17699
258 1 8 . 1 1 8 8 LEU HA H 539 4.188 4.188 3.986 0.202 17699
259 1 8 . 1 1 8 8 LEU H H 539 8.136 8.136 9.112 -0.976 17699
260 1 8 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.783 -0.350 17699
261 1 8 . 1 1 9 9 ASP H H 540 8.037 8.037 8.279 -0.242 17699
262 1 8 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.541 -0.375 17699
263 1 8 . 1 1 10 10 ARG H H 541 8.127 8.127 8.027 0.100 17699
264 1 8 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.508 0.024 17699
265 1 8 . 1 1 11 11 TYR H H 542 8.032 8.032 8.106 -0.074 17699
266 1 8 . 1 1 12 12 SER HA H 543 4.163 4.163 3.739 0.424 17699
267 1 8 . 1 1 12 12 SER H H 543 8.329 8.329 8.497 -0.168 17699
268 1 8 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.258 -0.126 17699
269 1 8 . 1 1 13 13 GLU H H 544 8.265 8.265 7.747 0.518 17699
270 1 8 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.712 -0.298 17699
271 1 8 . 1 1 14 14 TYR H H 545 7.910 7.910 7.338 0.572 17699
272 1 8 . 1 1 15 15 GLY H H 546 8.464 8.464 8.536 -0.072 17699
273 1 8 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.310 -0.234 17699
274 1 8 . 1 1 16 16 ALA H H 547 8.457 8.457 8.168 0.289 17699
275 1 8 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.498 -0.346 17699
276 1 8 . 1 1 17 17 ALA H H 548 7.873 7.873 7.773 0.100 17699
277 1 8 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.055 -0.224 17699
278 1 8 . 1 1 18 18 VAL H H 549 7.678 7.678 8.256 -0.578 17699
279 1 8 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.438 -0.422 17699
280 1 8 . 1 1 19 19 LEU H H 550 7.737 7.737 7.907 -0.170 17699
281 1 9 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.114 0.043 17699
282 1 9 . 1 1 2 2 VAL H H 533 8.690 8.690 8.133 0.557 17699
283 1 9 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.331 0.015 17699
284 1 9 . 1 1 3 3 ARG H H 534 8.630 8.630 8.687 -0.057 17699
285 1 9 . 1 1 4 4 VAL HA H 535 4.070 4.070 4.013 0.057 17699
286 1 9 . 1 1 4 4 VAL H H 535 8.244 8.244 7.690 0.554 17699
287 1 9 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.565 -0.301 17699
288 1 9 . 1 1 5 5 ALA H H 536 8.435 8.435 7.598 0.837 17699
289 1 9 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.438 -0.091 17699
290 1 9 . 1 1 6 6 ARG H H 537 8.264 8.264 8.567 -0.303 17699
291 1 9 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.108 0.241 17699
292 1 9 . 1 1 7 7 LYS H H 538 8.377 8.377 7.695 0.682 17699
293 1 9 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.050 0.138 17699
294 1 9 . 1 1 8 8 LEU H H 539 8.136 8.136 9.035 -0.899 17699
295 1 9 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.770 -0.337 17699
296 1 9 . 1 1 9 9 ASP H H 540 8.037 8.037 8.238 -0.201 17699
297 1 9 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.560 -0.394 17699
298 1 9 . 1 1 10 10 ARG H H 541 8.127 8.127 7.864 0.263 17699
299 1 9 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.521 0.011 17699
300 1 9 . 1 1 11 11 TYR H H 542 8.032 8.032 8.209 -0.177 17699
301 1 9 . 1 1 12 12 SER HA H 543 4.163 4.163 3.794 0.369 17699
302 1 9 . 1 1 12 12 SER H H 543 8.329 8.329 8.550 -0.221 17699
303 1 9 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.267 -0.135 17699
304 1 9 . 1 1 13 13 GLU H H 544 8.265 8.265 7.713 0.552 17699
305 1 9 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.703 -0.289 17699
306 1 9 . 1 1 14 14 TYR H H 545 7.910 7.910 7.325 0.585 17699
307 1 9 . 1 1 15 15 GLY H H 546 8.464 8.464 8.525 -0.061 17699
308 1 9 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.285 -0.209 17699
309 1 9 . 1 1 16 16 ALA H H 547 8.457 8.457 8.056 0.401 17699
310 1 9 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.500 -0.348 17699
311 1 9 . 1 1 17 17 ALA H H 548 7.873 7.873 7.776 0.097 17699
312 1 9 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.049 -0.218 17699
313 1 9 . 1 1 18 18 VAL H H 549 7.678 7.678 8.270 -0.592 17699
314 1 9 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.431 -0.415 17699
315 1 9 . 1 1 19 19 LEU H H 550 7.737 7.737 7.914 -0.177 17699
316 1 10 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.531 -0.374 17699
317 1 10 . 1 1 2 2 VAL H H 533 8.690 8.690 7.954 0.736 17699
318 1 10 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.359 -0.013 17699
319 1 10 . 1 1 3 3 ARG H H 534 8.630 8.630 8.510 0.120 17699
320 1 10 . 1 1 4 4 VAL HA H 535 4.070 4.070 4.037 0.033 17699
321 1 10 . 1 1 4 4 VAL H H 535 8.244 8.244 8.072 0.172 17699
322 1 10 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.518 -0.254 17699
323 1 10 . 1 1 5 5 ALA H H 536 8.435 8.435 7.514 0.921 17699
324 1 10 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.475 -0.128 17699
325 1 10 . 1 1 6 6 ARG H H 537 8.264 8.264 8.439 -0.175 17699
326 1 10 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.076 0.273 17699
327 1 10 . 1 1 7 7 LYS H H 538 8.377 8.377 7.829 0.548 17699
328 1 10 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.066 0.122 17699
329 1 10 . 1 1 8 8 LEU H H 539 8.136 8.136 9.023 -0.887 17699
330 1 10 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.762 -0.329 17699
331 1 10 . 1 1 9 9 ASP H H 540 8.037 8.037 8.385 -0.348 17699
332 1 10 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.656 -0.490 17699
333 1 10 . 1 1 10 10 ARG H H 541 8.127 8.127 8.091 0.036 17699
334 1 10 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.416 0.116 17699
335 1 10 . 1 1 11 11 TYR H H 542 8.032 8.032 8.215 -0.183 17699
336 1 10 . 1 1 12 12 SER HA H 543 4.163 4.163 3.718 0.445 17699
337 1 10 . 1 1 12 12 SER H H 543 8.329 8.329 8.496 -0.167 17699
338 1 10 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.239 -0.107 17699
339 1 10 . 1 1 13 13 GLU H H 544 8.265 8.265 7.734 0.531 17699
340 1 10 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.725 -0.311 17699
341 1 10 . 1 1 14 14 TYR H H 545 7.910 7.910 7.420 0.490 17699
342 1 10 . 1 1 15 15 GLY H H 546 8.464 8.464 8.538 -0.074 17699
343 1 10 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.338 -0.262 17699
344 1 10 . 1 1 16 16 ALA H H 547 8.457 8.457 8.184 0.273 17699
345 1 10 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.487 -0.335 17699
346 1 10 . 1 1 17 17 ALA H H 548 7.873 7.873 7.782 0.091 17699
347 1 10 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.122 -0.291 17699
348 1 10 . 1 1 18 18 VAL H H 549 7.678 7.678 8.262 -0.584 17699
349 1 10 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.435 -0.419 17699
350 1 10 . 1 1 19 19 LEU H H 550 7.737 7.737 7.838 -0.101 17699
351 1 11 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.497 -0.340 17699
352 1 11 . 1 1 2 2 VAL H H 533 8.690 8.690 7.894 0.796 17699
353 1 11 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.397 -0.051 17699
354 1 11 . 1 1 3 3 ARG H H 534 8.630 8.630 8.637 -0.007 17699
355 1 11 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.890 0.180 17699
356 1 11 . 1 1 4 4 VAL H H 535 8.244 8.244 8.110 0.134 17699
357 1 11 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.478 -0.214 17699
358 1 11 . 1 1 5 5 ALA H H 536 8.435 8.435 7.631 0.804 17699
359 1 11 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.437 -0.090 17699
360 1 11 . 1 1 6 6 ARG H H 537 8.264 8.264 8.611 -0.347 17699
361 1 11 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.115 0.234 17699
362 1 11 . 1 1 7 7 LYS H H 538 8.377 8.377 7.785 0.592 17699
363 1 11 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.082 0.106 17699
364 1 11 . 1 1 8 8 LEU H H 539 8.136 8.136 8.964 -0.828 17699
365 1 11 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.859 -0.426 17699
366 1 11 . 1 1 9 9 ASP H H 540 8.037 8.037 8.333 -0.296 17699
367 1 11 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.662 -0.496 17699
368 1 11 . 1 1 10 10 ARG H H 541 8.127 8.127 8.032 0.095 17699
369 1 11 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.421 0.111 17699
370 1 11 . 1 1 11 11 TYR H H 542 8.032 8.032 8.172 -0.140 17699
371 1 11 . 1 1 12 12 SER HA H 543 4.163 4.163 3.724 0.439 17699
372 1 11 . 1 1 12 12 SER H H 543 8.329 8.329 8.534 -0.205 17699
373 1 11 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.241 -0.109 17699
374 1 11 . 1 1 13 13 GLU H H 544 8.265 8.265 7.734 0.531 17699
375 1 11 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.725 -0.311 17699
376 1 11 . 1 1 14 14 TYR H H 545 7.910 7.910 7.379 0.531 17699
377 1 11 . 1 1 15 15 GLY H H 546 8.464 8.464 8.545 -0.081 17699
378 1 11 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.335 -0.259 17699
379 1 11 . 1 1 16 16 ALA H H 547 8.457 8.457 8.178 0.279 17699
380 1 11 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.451 -0.299 17699
381 1 11 . 1 1 17 17 ALA H H 548 7.873 7.873 7.691 0.182 17699
382 1 11 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.131 -0.300 17699
383 1 11 . 1 1 18 18 VAL H H 549 7.678 7.678 8.327 -0.649 17699
384 1 11 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.419 -0.403 17699
385 1 11 . 1 1 19 19 LEU H H 550 7.737 7.737 7.831 -0.094 17699
386 1 12 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.209 -0.052 17699
387 1 12 . 1 1 2 2 VAL H H 533 8.690 8.690 8.424 0.266 17699
388 1 12 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.339 0.007 17699
389 1 12 . 1 1 3 3 ARG H H 534 8.630 8.630 8.629 0.001 17699
390 1 12 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.908 0.162 17699
391 1 12 . 1 1 4 4 VAL H H 535 8.244 8.244 8.063 0.181 17699
392 1 12 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.653 -0.389 17699
393 1 12 . 1 1 5 5 ALA H H 536 8.435 8.435 7.554 0.881 17699
394 1 12 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.386 -0.039 17699
395 1 12 . 1 1 6 6 ARG H H 537 8.264 8.264 8.360 -0.096 17699
396 1 12 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.176 0.173 17699
397 1 12 . 1 1 7 7 LYS H H 538 8.377 8.377 7.707 0.670 17699
398 1 12 . 1 1 8 8 LEU HA H 539 4.188 4.188 3.948 0.240 17699
399 1 12 . 1 1 8 8 LEU H H 539 8.136 8.136 9.017 -0.881 17699
400 1 12 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.698 -0.265 17699
401 1 12 . 1 1 9 9 ASP H H 540 8.037 8.037 8.397 -0.360 17699
402 1 12 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.638 -0.472 17699
403 1 12 . 1 1 10 10 ARG H H 541 8.127 8.127 7.860 0.267 17699
404 1 12 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.566 -0.034 17699
405 1 12 . 1 1 11 11 TYR H H 542 8.032 8.032 8.257 -0.225 17699
406 1 12 . 1 1 12 12 SER HA H 543 4.163 4.163 3.854 0.309 17699
407 1 12 . 1 1 12 12 SER H H 543 8.329 8.329 8.570 -0.241 17699
408 1 12 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.278 -0.146 17699
409 1 12 . 1 1 13 13 GLU H H 544 8.265 8.265 7.849 0.415 17699
410 1 12 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.686 -0.272 17699
411 1 12 . 1 1 14 14 TYR H H 545 7.910 7.910 7.395 0.515 17699
412 1 12 . 1 1 15 15 GLY H H 546 8.464 8.464 8.497 -0.033 17699
413 1 12 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.258 -0.182 17699
414 1 12 . 1 1 16 16 ALA H H 547 8.457 8.457 8.086 0.371 17699
415 1 12 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.509 -0.357 17699
416 1 12 . 1 1 17 17 ALA H H 548 7.873 7.873 7.787 0.086 17699
417 1 12 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.073 -0.242 17699
418 1 12 . 1 1 18 18 VAL H H 549 7.678 7.678 8.024 -0.346 17699
419 1 12 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.437 -0.421 17699
420 1 12 . 1 1 19 19 LEU H H 550 7.737 7.737 8.064 -0.327 17699
421 1 13 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.026 0.131 17699
422 1 13 . 1 1 2 2 VAL H H 533 8.690 8.690 8.479 0.211 17699
423 1 13 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.343 0.003 17699
424 1 13 . 1 1 3 3 ARG H H 534 8.630 8.630 8.564 0.066 17699
425 1 13 . 1 1 4 4 VAL HA H 535 4.070 4.070 4.042 0.028 17699
426 1 13 . 1 1 4 4 VAL H H 535 8.244 8.244 7.899 0.345 17699
427 1 13 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.629 -0.365 17699
428 1 13 . 1 1 5 5 ALA H H 536 8.435 8.435 7.555 0.880 17699
429 1 13 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.409 -0.062 17699
430 1 13 . 1 1 6 6 ARG H H 537 8.264 8.264 8.276 -0.012 17699
431 1 13 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.094 0.255 17699
432 1 13 . 1 1 7 7 LYS H H 538 8.377 8.377 7.857 0.520 17699
433 1 13 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.036 0.152 17699
434 1 13 . 1 1 8 8 LEU H H 539 8.136 8.136 9.047 -0.911 17699
435 1 13 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.645 -0.212 17699
436 1 13 . 1 1 9 9 ASP H H 540 8.037 8.037 8.319 -0.282 17699
437 1 13 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.629 -0.463 17699
438 1 13 . 1 1 10 10 ARG H H 541 8.127 8.127 7.805 0.322 17699
439 1 13 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.520 0.012 17699
440 1 13 . 1 1 11 11 TYR H H 542 8.032 8.032 8.088 -0.056 17699
441 1 13 . 1 1 12 12 SER HA H 543 4.163 4.163 3.856 0.307 17699
442 1 13 . 1 1 12 12 SER H H 543 8.329 8.329 8.551 -0.222 17699
443 1 13 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.263 -0.131 17699
444 1 13 . 1 1 13 13 GLU H H 544 8.265 8.265 7.853 0.412 17699
445 1 13 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.700 -0.286 17699
446 1 13 . 1 1 14 14 TYR H H 545 7.910 7.910 7.402 0.508 17699
447 1 13 . 1 1 15 15 GLY H H 546 8.464 8.464 8.501 -0.036 17699
448 1 13 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.266 -0.190 17699
449 1 13 . 1 1 16 16 ALA H H 547 8.457 8.457 8.153 0.304 17699
450 1 13 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.502 -0.350 17699
451 1 13 . 1 1 17 17 ALA H H 548 7.873 7.873 7.765 0.108 17699
452 1 13 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.065 -0.234 17699
453 1 13 . 1 1 18 18 VAL H H 549 7.678 7.678 8.041 -0.363 17699
454 1 13 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.436 -0.420 17699
455 1 13 . 1 1 19 19 LEU H H 550 7.737 7.737 8.028 -0.291 17699
456 1 14 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.038 0.119 17699
457 1 14 . 1 1 2 2 VAL H H 533 8.690 8.690 8.329 0.361 17699
458 1 14 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.519 -0.173 17699
459 1 14 . 1 1 3 3 ARG H H 534 8.630 8.630 8.676 -0.046 17699
460 1 14 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.935 0.135 17699
461 1 14 . 1 1 4 4 VAL H H 535 8.244 8.244 8.118 0.126 17699
462 1 14 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.651 -0.387 17699
463 1 14 . 1 1 5 5 ALA H H 536 8.435 8.435 7.713 0.722 17699
464 1 14 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.414 -0.067 17699
465 1 14 . 1 1 6 6 ARG H H 537 8.264 8.264 8.522 -0.258 17699
466 1 14 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.183 0.166 17699
467 1 14 . 1 1 7 7 LYS H H 538 8.377 8.377 7.735 0.642 17699
468 1 14 . 1 1 8 8 LEU HA H 539 4.188 4.188 3.952 0.236 17699
469 1 14 . 1 1 8 8 LEU H H 539 8.136 8.136 9.015 -0.879 17699
470 1 14 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.738 -0.305 17699
471 1 14 . 1 1 9 9 ASP H H 540 8.037 8.037 8.343 -0.306 17699
472 1 14 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.592 -0.426 17699
473 1 14 . 1 1 10 10 ARG H H 541 8.127 8.127 7.894 0.233 17699
474 1 14 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.526 0.006 17699
475 1 14 . 1 1 11 11 TYR H H 542 8.032 8.032 8.203 -0.171 17699
476 1 14 . 1 1 12 12 SER HA H 543 4.163 4.163 3.844 0.319 17699
477 1 14 . 1 1 12 12 SER H H 543 8.329 8.329 8.549 -0.220 17699
478 1 14 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.268 -0.136 17699
479 1 14 . 1 1 13 13 GLU H H 544 8.265 8.265 7.779 0.486 17699
480 1 14 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.698 -0.284 17699
481 1 14 . 1 1 14 14 TYR H H 545 7.910 7.910 7.431 0.479 17699
482 1 14 . 1 1 15 15 GLY H H 546 8.464 8.464 8.521 -0.057 17699
483 1 14 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.282 -0.206 17699
484 1 14 . 1 1 16 16 ALA H H 547 8.457 8.457 8.128 0.329 17699
485 1 14 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.487 -0.335 17699
486 1 14 . 1 1 17 17 ALA H H 548 7.873 7.873 7.787 0.086 17699
487 1 14 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.127 -0.296 17699
488 1 14 . 1 1 18 18 VAL H H 549 7.678 7.678 8.091 -0.413 17699
489 1 14 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.434 -0.418 17699
490 1 14 . 1 1 19 19 LEU H H 550 7.737 7.737 7.978 -0.241 17699
491 1 15 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.258 -0.101 17699
492 1 15 . 1 1 2 2 VAL H H 533 8.690 8.690 8.588 0.102 17699
493 1 15 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.307 0.039 17699
494 1 15 . 1 1 3 3 ARG H H 534 8.630 8.630 8.518 0.112 17699
495 1 15 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.965 0.105 17699
496 1 15 . 1 1 4 4 VAL H H 535 8.244 8.244 7.782 0.462 17699
497 1 15 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.667 -0.403 17699
498 1 15 . 1 1 5 5 ALA H H 536 8.435 8.435 7.651 0.784 17699
499 1 15 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.443 -0.096 17699
500 1 15 . 1 1 6 6 ARG H H 537 8.264 8.264 8.613 -0.349 17699
501 1 15 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.130 0.219 17699
502 1 15 . 1 1 7 7 LYS H H 538 8.377 8.377 7.714 0.663 17699
503 1 15 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.042 0.146 17699
504 1 15 . 1 1 8 8 LEU H H 539 8.136 8.136 9.082 -0.946 17699
505 1 15 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.838 -0.405 17699
506 1 15 . 1 1 9 9 ASP H H 540 8.037 8.037 8.487 -0.450 17699
507 1 15 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.608 -0.442 17699
508 1 15 . 1 1 10 10 ARG H H 541 8.127 8.127 8.111 0.016 17699
509 1 15 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.457 0.075 17699
510 1 15 . 1 1 11 11 TYR H H 542 8.032 8.032 8.222 -0.190 17699
511 1 15 . 1 1 12 12 SER HA H 543 4.163 4.163 3.749 0.414 17699
512 1 15 . 1 1 12 12 SER H H 543 8.329 8.329 8.552 -0.223 17699
513 1 15 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.246 -0.114 17699
514 1 15 . 1 1 13 13 GLU H H 544 8.265 8.265 7.802 0.463 17699
515 1 15 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.706 -0.292 17699
516 1 15 . 1 1 14 14 TYR H H 545 7.910 7.910 7.396 0.514 17699
517 1 15 . 1 1 15 15 GLY H H 546 8.464 8.464 8.522 -0.058 17699
518 1 15 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.291 -0.215 17699
519 1 15 . 1 1 16 16 ALA H H 547 8.457 8.457 8.175 0.282 17699
520 1 15 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.488 -0.336 17699
521 1 15 . 1 1 17 17 ALA H H 548 7.873 7.873 7.753 0.120 17699
522 1 15 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.150 -0.319 17699
523 1 15 . 1 1 18 18 VAL H H 549 7.678 7.678 8.072 -0.394 17699
524 1 15 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.425 -0.409 17699
525 1 15 . 1 1 19 19 LEU H H 550 7.737 7.737 8.017 -0.280 17699
526 1 16 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.284 -0.127 17699
527 1 16 . 1 1 2 2 VAL H H 533 8.690 8.690 8.515 0.175 17699
528 1 16 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.363 -0.017 17699
529 1 16 . 1 1 3 3 ARG H H 534 8.630 8.630 8.888 -0.258 17699
530 1 16 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.936 0.134 17699
531 1 16 . 1 1 4 4 VAL H H 535 8.244 8.244 7.833 0.411 17699
532 1 16 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.484 -0.220 17699
533 1 16 . 1 1 5 5 ALA H H 536 8.435 8.435 7.499 0.936 17699
534 1 16 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.450 -0.103 17699
535 1 16 . 1 1 6 6 ARG H H 537 8.264 8.264 8.346 -0.082 17699
536 1 16 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.076 0.273 17699
537 1 16 . 1 1 7 7 LYS H H 538 8.377 8.377 7.816 0.561 17699
538 1 16 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.053 0.135 17699
539 1 16 . 1 1 8 8 LEU H H 539 8.136 8.136 9.115 -0.979 17699
540 1 16 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.894 -0.461 17699
541 1 16 . 1 1 9 9 ASP H H 540 8.037 8.037 8.467 -0.430 17699
542 1 16 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.684 -0.518 17699
543 1 16 . 1 1 10 10 ARG H H 541 8.127 8.127 8.110 0.017 17699
544 1 16 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.478 0.054 17699
545 1 16 . 1 1 11 11 TYR H H 542 8.032 8.032 8.288 -0.256 17699
546 1 16 . 1 1 12 12 SER HA H 543 4.163 4.163 3.757 0.406 17699
547 1 16 . 1 1 12 12 SER H H 543 8.329 8.329 8.552 -0.223 17699
548 1 16 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.249 -0.117 17699
549 1 16 . 1 1 13 13 GLU H H 544 8.265 8.265 7.777 0.488 17699
550 1 16 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.708 -0.294 17699
551 1 16 . 1 1 14 14 TYR H H 545 7.910 7.910 7.366 0.544 17699
552 1 16 . 1 1 15 15 GLY H H 546 8.464 8.464 8.542 -0.078 17699
553 1 16 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.316 -0.240 17699
554 1 16 . 1 1 16 16 ALA H H 547 8.457 8.457 8.133 0.324 17699
555 1 16 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.450 -0.298 17699
556 1 16 . 1 1 17 17 ALA H H 548 7.873 7.873 7.703 0.170 17699
557 1 16 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.120 -0.289 17699
558 1 16 . 1 1 18 18 VAL H H 549 7.678 7.678 8.237 -0.559 17699
559 1 16 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.433 -0.417 17699
560 1 16 . 1 1 19 19 LEU H H 550 7.737 7.737 7.889 -0.152 17699
561 1 17 . 1 1 2 2 VAL HA H 533 4.157 4.157 3.969 0.188 17699
562 1 17 . 1 1 2 2 VAL H H 533 8.690 8.690 8.614 0.076 17699
563 1 17 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.367 -0.021 17699
564 1 17 . 1 1 3 3 ARG H H 534 8.630 8.630 8.796 -0.166 17699
565 1 17 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.939 0.131 17699
566 1 17 . 1 1 4 4 VAL H H 535 8.244 8.244 7.783 0.461 17699
567 1 17 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.566 -0.302 17699
568 1 17 . 1 1 5 5 ALA H H 536 8.435 8.435 7.567 0.868 17699
569 1 17 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.455 -0.108 17699
570 1 17 . 1 1 6 6 ARG H H 537 8.264 8.264 8.588 -0.324 17699
571 1 17 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.157 0.192 17699
572 1 17 . 1 1 7 7 LYS H H 538 8.377 8.377 7.822 0.555 17699
573 1 17 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.034 0.154 17699
574 1 17 . 1 1 8 8 LEU H H 539 8.136 8.136 8.832 -0.696 17699
575 1 17 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.717 -0.284 17699
576 1 17 . 1 1 9 9 ASP H H 540 8.037 8.037 8.324 -0.287 17699
577 1 17 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.675 -0.509 17699
578 1 17 . 1 1 10 10 ARG H H 541 8.127 8.127 7.941 0.186 17699
579 1 17 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.494 0.038 17699
580 1 17 . 1 1 11 11 TYR H H 542 8.032 8.032 8.156 -0.124 17699
581 1 17 . 1 1 12 12 SER HA H 543 4.163 4.163 3.724 0.439 17699
582 1 17 . 1 1 12 12 SER H H 543 8.329 8.329 8.483 -0.154 17699
583 1 17 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.254 -0.122 17699
584 1 17 . 1 1 13 13 GLU H H 544 8.265 8.265 7.758 0.507 17699
585 1 17 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.711 -0.297 17699
586 1 17 . 1 1 14 14 TYR H H 545 7.910 7.910 7.378 0.531 17699
587 1 17 . 1 1 15 15 GLY H H 546 8.464 8.464 8.529 -0.065 17699
588 1 17 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.316 -0.240 17699
589 1 17 . 1 1 16 16 ALA H H 547 8.457 8.457 8.170 0.287 17699
590 1 17 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.491 -0.339 17699
591 1 17 . 1 1 17 17 ALA H H 548 7.873 7.873 7.790 0.083 17699
592 1 17 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.131 -0.300 17699
593 1 17 . 1 1 18 18 VAL H H 549 7.678 7.678 8.218 -0.540 17699
594 1 17 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.439 -0.423 17699
595 1 17 . 1 1 19 19 LEU H H 550 7.737 7.737 7.950 -0.213 17699
596 1 18 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.188 -0.031 17699
597 1 18 . 1 1 2 2 VAL H H 533 8.690 8.690 8.706 -0.016 17699
598 1 18 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.264 0.082 17699
599 1 18 . 1 1 3 3 ARG H H 534 8.630 8.630 8.582 0.048 17699
600 1 18 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.965 0.105 17699
601 1 18 . 1 1 4 4 VAL H H 535 8.244 8.244 7.927 0.317 17699
602 1 18 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.482 -0.218 17699
603 1 18 . 1 1 5 5 ALA H H 536 8.435 8.435 7.653 0.782 17699
604 1 18 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.384 -0.037 17699
605 1 18 . 1 1 6 6 ARG H H 537 8.264 8.264 8.575 -0.311 17699
606 1 18 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.083 0.266 17699
607 1 18 . 1 1 7 7 LYS H H 538 8.377 8.377 7.665 0.712 17699
608 1 18 . 1 1 8 8 LEU HA H 539 4.188 4.188 3.976 0.212 17699
609 1 18 . 1 1 8 8 LEU H H 539 8.136 8.136 9.049 -0.913 17699
610 1 18 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.723 -0.290 17699
611 1 18 . 1 1 9 9 ASP H H 540 8.037 8.037 8.169 -0.132 17699
612 1 18 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.554 -0.388 17699
613 1 18 . 1 1 10 10 ARG H H 541 8.127 8.127 7.918 0.209 17699
614 1 18 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.487 0.045 17699
615 1 18 . 1 1 11 11 TYR H H 542 8.032 8.032 8.055 -0.023 17699
616 1 18 . 1 1 12 12 SER HA H 543 4.163 4.163 3.774 0.389 17699
617 1 18 . 1 1 12 12 SER H H 543 8.329 8.329 8.543 -0.214 17699
618 1 18 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.255 -0.123 17699
619 1 18 . 1 1 13 13 GLU H H 544 8.265 8.265 7.788 0.477 17699
620 1 18 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.705 -0.291 17699
621 1 18 . 1 1 14 14 TYR H H 545 7.910 7.910 7.383 0.527 17699
622 1 18 . 1 1 15 15 GLY H H 546 8.464 8.464 8.505 -0.041 17699
623 1 18 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.268 -0.192 17699
624 1 18 . 1 1 16 16 ALA H H 547 8.457 8.457 8.143 0.314 17699
625 1 18 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.502 -0.350 17699
626 1 18 . 1 1 17 17 ALA H H 548 7.873 7.873 7.780 0.093 17699
627 1 18 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.074 -0.243 17699
628 1 18 . 1 1 18 18 VAL H H 549 7.678 7.678 8.038 -0.360 17699
629 1 18 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.443 -0.427 17699
630 1 18 . 1 1 19 19 LEU H H 550 7.737 7.737 8.034 -0.297 17699
631 1 19 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.188 -0.031 17699
632 1 19 . 1 1 2 2 VAL H H 533 8.690 8.690 8.573 0.117 17699
633 1 19 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.399 -0.053 17699
634 1 19 . 1 1 3 3 ARG H H 534 8.630 8.630 8.696 -0.066 17699
635 1 19 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.982 0.088 17699
636 1 19 . 1 1 4 4 VAL H H 535 8.244 8.244 7.878 0.366 17699
637 1 19 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.572 -0.308 17699
638 1 19 . 1 1 5 5 ALA H H 536 8.435 8.435 7.570 0.865 17699
639 1 19 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.376 -0.029 17699
640 1 19 . 1 1 6 6 ARG H H 537 8.264 8.264 8.547 -0.283 17699
641 1 19 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.181 0.168 17699
642 1 19 . 1 1 7 7 LYS H H 538 8.377 8.377 7.931 0.446 17699
643 1 19 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.104 0.084 17699
644 1 19 . 1 1 8 8 LEU H H 539 8.136 8.136 9.099 -0.963 17699
645 1 19 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.742 -0.309 17699
646 1 19 . 1 1 9 9 ASP H H 540 8.037 8.037 8.094 -0.057 17699
647 1 19 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.675 -0.509 17699
648 1 19 . 1 1 10 10 ARG H H 541 8.127 8.127 7.828 0.299 17699
649 1 19 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.501 0.031 17699
650 1 19 . 1 1 11 11 TYR H H 542 8.032 8.032 7.991 0.041 17699
651 1 19 . 1 1 12 12 SER HA H 543 4.163 4.163 3.813 0.350 17699
652 1 19 . 1 1 12 12 SER H H 543 8.329 8.329 8.548 -0.219 17699
653 1 19 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.265 -0.133 17699
654 1 19 . 1 1 13 13 GLU H H 544 8.265 8.265 7.787 0.478 17699
655 1 19 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.706 -0.292 17699
656 1 19 . 1 1 14 14 TYR H H 545 7.910 7.910 7.379 0.531 17699
657 1 19 . 1 1 15 15 GLY H H 546 8.464 8.464 8.515 -0.051 17699
658 1 19 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.278 -0.202 17699
659 1 19 . 1 1 16 16 ALA H H 547 8.457 8.457 8.148 0.309 17699
660 1 19 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.488 -0.336 17699
661 1 19 . 1 1 17 17 ALA H H 548 7.873 7.873 7.784 0.089 17699
662 1 19 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.136 -0.305 17699
663 1 19 . 1 1 18 18 VAL H H 549 7.678 7.678 8.044 -0.366 17699
664 1 19 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.438 -0.422 17699
665 1 19 . 1 1 19 19 LEU H H 550 7.737 7.737 8.022 -0.285 17699
666 1 20 . 1 1 2 2 VAL HA H 533 4.157 4.157 4.322 -0.165 17699
667 1 20 . 1 1 2 2 VAL H H 533 8.690 8.690 7.507 1.183 17699
668 1 20 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.158 0.188 17699
669 1 20 . 1 1 3 3 ARG H H 534 8.630 8.630 8.640 -0.010 17699
670 1 20 . 1 1 4 4 VAL HA H 535 4.070 4.070 4.245 -0.175 17699
671 1 20 . 1 1 4 4 VAL H H 535 8.244 8.244 7.673 0.571 17699
672 1 20 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.641 -0.377 17699
673 1 20 . 1 1 5 5 ALA H H 536 8.435 8.435 7.599 0.836 17699
674 1 20 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.380 -0.033 17699
675 1 20 . 1 1 6 6 ARG H H 537 8.264 8.264 8.567 -0.303 17699
676 1 20 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.098 0.251 17699
677 1 20 . 1 1 7 7 LYS H H 538 8.377 8.377 7.675 0.702 17699
678 1 20 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.040 0.148 17699
679 1 20 . 1 1 8 8 LEU H H 539 8.136 8.136 9.069 -0.933 17699
680 1 20 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.836 -0.403 17699
681 1 20 . 1 1 9 9 ASP H H 540 8.037 8.037 8.395 -0.358 17699
682 1 20 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.686 -0.520 17699
683 1 20 . 1 1 10 10 ARG H H 541 8.127 8.127 7.998 0.129 17699
684 1 20 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.506 0.026 17699
685 1 20 . 1 1 11 11 TYR H H 542 8.032 8.032 8.268 -0.236 17699
686 1 20 . 1 1 12 12 SER HA H 543 4.163 4.163 3.809 0.354 17699
687 1 20 . 1 1 12 12 SER H H 543 8.329 8.329 8.609 -0.280 17699
688 1 20 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.270 -0.138 17699
689 1 20 . 1 1 13 13 GLU H H 544 8.265 8.265 7.830 0.435 17699
690 1 20 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.687 -0.273 17699
691 1 20 . 1 1 14 14 TYR H H 545 7.910 7.910 7.412 0.498 17699
692 1 20 . 1 1 15 15 GLY H H 546 8.464 8.464 8.513 -0.049 17699
693 1 20 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.280 -0.204 17699
694 1 20 . 1 1 16 16 ALA H H 547 8.457 8.457 8.056 0.401 17699
695 1 20 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.460 -0.308 17699
696 1 20 . 1 1 17 17 ALA H H 548 7.873 7.873 7.702 0.171 17699
697 1 20 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.141 -0.310 17699
698 1 20 . 1 1 18 18 VAL H H 549 7.678 7.678 8.127 -0.449 17699
699 1 20 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.417 -0.401 17699
700 1 20 . 1 1 19 19 LEU H H 550 7.737 7.737 7.979 -0.242 17699
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 17699
2 1 1 "Average Difference" HA 19 0.268 0.088 0.260 17699
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17699
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 17699
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 17699
6 1 1 "Average Difference" HN 18 0.423 -0.089 0.425 17699
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 17699
8 1 2 "Average Difference" HA 19 0.261 0.123 0.237 17699
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17699
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 17699
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 17699
12 1 2 "Average Difference" HN 18 0.426 -0.059 0.434 17699
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 17699
14 1 3 "Average Difference" HA 19 0.268 0.109 0.252 17699
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17699
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 17699
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 17699
18 1 3 "Average Difference" HN 18 0.397 -0.055 0.405 17699
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 17699
20 1 4 "Average Difference" HA 19 0.248 0.092 0.236 17699
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17699
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 17699
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 17699
24 1 4 "Average Difference" HN 18 0.447 -0.107 0.447 17699
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 17699
26 1 5 "Average Difference" HA 19 0.255 0.093 0.244 17699
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17699
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 17699
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 17699
30 1 5 "Average Difference" HN 18 0.451 -0.106 0.451 17699
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 17699
32 1 6 "Average Difference" HA 19 0.247 0.097 0.234 17699
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17699
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 17699
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 17699
36 1 6 "Average Difference" HN 18 0.429 -0.063 0.436 17699
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 17699
38 1 7 "Average Difference" HA 19 0.254 0.115 0.233 17699
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17699
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 17699
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 17699
42 1 7 "Average Difference" HN 18 0.475 -0.093 0.479 17699
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 17699
44 1 8 "Average Difference" HA 19 0.267 0.118 0.246 17699
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17699
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 17699
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 17699
48 1 8 "Average Difference" HN 18 0.462 -0.080 0.469 17699
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 17699
50 1 9 "Average Difference" HA 19 0.238 0.101 0.221 17699
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17699
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 17699
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 17699
54 1 9 "Average Difference" HN 18 0.476 -0.102 0.478 17699
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 17699
56 1 10 "Average Difference" HA 19 0.274 0.126 0.250 17699
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17699
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 17699
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 17699
60 1 10 "Average Difference" HN 18 0.453 -0.078 0.459 17699
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 17699
62 1 11 "Average Difference" HA 19 0.274 0.121 0.252 17699
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17699
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 17699
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 17699
66 1 11 "Average Difference" HN 18 0.455 -0.072 0.462 17699
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 17699
68 1 12 "Average Difference" HA 19 0.246 0.105 0.229 17699
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17699
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 17699
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 17699
72 1 12 "Average Difference" HN 18 0.424 -0.064 0.431 17699
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 17699
74 1 13 "Average Difference" HA 19 0.239 0.096 0.225 17699
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17699
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 17699
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 17699
78 1 13 "Average Difference" HN 18 0.410 -0.083 0.413 17699
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 17699
80 1 14 "Average Difference" HA 19 0.251 0.108 0.232 17699
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17699
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 17699
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 17699
84 1 14 "Average Difference" HN 18 0.406 -0.049 0.414 17699
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 17699
86 1 15 "Average Difference" HA 19 0.265 0.116 0.244 17699
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17699
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 17699
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 17699
90 1 15 "Average Difference" HN 18 0.435 -0.035 0.446 17699
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 17699
92 1 16 "Average Difference" HA 19 0.266 0.114 0.246 17699
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17699
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 17699
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 17699
96 1 16 "Average Difference" HN 18 0.455 -0.034 0.467 17699
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 17699
98 1 17 "Average Difference" HA 19 0.261 0.100 0.248 17699
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17699
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 17699
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 17699
102 1 17 "Average Difference" HN 18 0.410 -0.055 0.418 17699
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 17699
104 1 18 "Average Difference" HA 19 0.238 0.082 0.229 17699
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17699
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 17699
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 17699
108 1 18 "Average Difference" HN 18 0.414 -0.065 0.421 17699
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 17699
110 1 19 "Average Difference" HA 19 0.246 0.118 0.222 17699
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17699
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 17699
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 17699
114 1 19 "Average Difference" HN 18 0.414 -0.070 0.420 17699
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 17699
116 1 20 "Average Difference" HA 19 0.268 0.124 0.245 17699
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17699
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 17699
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 17699
120 1 20 "Average Difference" HN 18 0.530 -0.115 0.532 17699
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 17699
_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 VAL HA H 533 4.157 4.157 4.234 -0.077 17699
2 1 . 1 1 2 2 VAL H H 533 8.690 8.690 8.355 0.335 17699
3 1 . 1 1 3 3 ARG HA H 534 4.346 4.346 4.360 -0.014 17699
4 1 . 1 1 3 3 ARG H H 534 8.630 8.630 8.613 0.017 17699
5 1 . 1 1 4 4 VAL HA H 535 4.070 4.070 3.971 0.099 17699
6 1 . 1 1 4 4 VAL H H 535 8.244 8.244 7.914 0.330 17699
7 1 . 1 1 5 5 ALA HA H 536 4.264 4.264 4.558 -0.294 17699
8 1 . 1 1 5 5 ALA H H 536 8.435 8.435 7.564 0.871 17699
9 1 . 1 1 6 6 ARG HA H 537 4.347 4.347 4.426 -0.079 17699
10 1 . 1 1 6 6 ARG H H 537 8.264 8.264 8.508 -0.244 17699
11 1 . 1 1 7 7 LYS HA H 538 4.349 4.349 4.107 0.242 17699
12 1 . 1 1 7 7 LYS H H 538 8.377 8.377 7.735 0.642 17699
13 1 . 1 1 8 8 LEU HA H 539 4.188 4.188 4.030 0.158 17699
14 1 . 1 1 8 8 LEU H H 539 8.136 8.136 9.022 -0.886 17699
15 1 . 1 1 9 9 ASP HA H 540 4.433 4.433 4.765 -0.332 17699
16 1 . 1 1 9 9 ASP H H 540 8.037 8.037 8.296 -0.259 17699
17 1 . 1 1 10 10 ARG HA H 541 4.166 4.166 4.628 -0.462 17699
18 1 . 1 1 10 10 ARG H H 541 8.127 8.127 7.958 0.169 17699
19 1 . 1 1 11 11 TYR HA H 542 4.532 4.532 4.483 0.049 17699
20 1 . 1 1 11 11 TYR H H 542 8.032 8.032 8.167 -0.135 17699
21 1 . 1 1 12 12 SER HA H 543 4.163 4.163 3.777 0.386 17699
22 1 . 1 1 12 12 SER H H 543 8.329 8.329 8.539 -0.210 17699
23 1 . 1 1 13 13 GLU HA H 544 4.132 4.132 4.256 -0.124 17699
24 1 . 1 1 13 13 GLU H H 544 8.265 8.265 7.770 0.495 17699
25 1 . 1 1 14 14 TYR HA H 545 4.414 4.414 4.707 -0.293 17699
26 1 . 1 1 14 14 TYR H H 545 7.910 7.910 7.393 0.517 17699
27 1 . 1 1 15 15 GLY H H 546 8.464 8.464 8.521 -0.057 17699
28 1 . 1 1 16 16 ALA HA H 547 4.076 4.076 4.294 -0.218 17699
29 1 . 1 1 16 16 ALA H H 547 8.457 8.457 8.139 0.318 17699
30 1 . 1 1 17 17 ALA HA H 548 4.152 4.152 4.486 -0.334 17699
31 1 . 1 1 17 17 ALA H H 548 7.873 7.873 7.763 0.110 17699
32 1 . 1 1 18 18 VAL HA H 549 3.831 3.831 4.113 -0.282 17699
33 1 . 1 1 18 18 VAL H H 549 7.678 7.678 8.135 -0.457 17699
34 1 . 1 1 19 19 LEU HA H 550 4.016 4.016 4.434 -0.418 17699
35 1 . 1 1 19 19 LEU H H 550 7.737 7.737 7.968 -0.231 17699
stop_
save_