NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
395905 |
1s3a   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s3a
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 743
_Distance_constraint_stats_list.Viol_count 2319
_Distance_constraint_stats_list.Viol_total 4408.400
_Distance_constraint_stats_list.Viol_max 0.431
_Distance_constraint_stats_list.Viol_rms 0.0495
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0164
_Distance_constraint_stats_list.Viol_average_violations_only 0.1001
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 18 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 19 LEU 3.415 0.142 13 0 "[ . 1 . ]"
1 20 ARG 2.461 0.165 8 0 "[ . 1 . ]"
1 21 GLU 11.023 0.354 19 0 "[ . 1 . ]"
1 22 ILE 3.548 0.151 7 0 "[ . 1 . ]"
1 23 ARG 1.045 0.107 19 0 "[ . 1 . ]"
1 24 ILE 6.379 0.186 11 0 "[ . 1 . ]"
1 25 HIS 5.508 0.192 14 0 "[ . 1 . ]"
1 26 LEU 3.787 0.175 8 0 "[ . 1 . ]"
1 27 CYS 0.881 0.173 17 0 "[ . 1 . ]"
1 29 ARG 0.064 0.064 16 0 "[ . 1 . ]"
1 30 SER 2.425 0.268 6 0 "[ . 1 . ]"
1 31 PRO 1.161 0.142 4 0 "[ . 1 . ]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 33 SER 2.204 0.177 18 0 "[ . 1 . ]"
1 34 GLN 6.671 0.291 4 0 "[ . 1 . ]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 36 VAL 3.912 0.291 4 0 "[ . 1 . ]"
1 37 ARG 11.228 0.251 16 0 "[ . 1 . ]"
1 38 ASP 13.508 0.318 15 0 "[ . 1 . ]"
1 39 PHE 11.117 0.198 17 0 "[ . 1 . ]"
1 40 ILE 12.488 0.228 5 0 "[ . 1 . ]"
1 41 GLU 11.389 0.431 4 0 "[ . 1 . ]"
1 42 LYS 2.236 0.196 10 0 "[ . 1 . ]"
1 43 ARG 0.918 0.102 16 0 "[ . 1 . ]"
1 44 TYR 18.947 0.431 4 0 "[ . 1 . ]"
1 45 VAL 5.371 0.221 8 0 "[ . 1 . ]"
1 46 GLU 2.413 0.144 4 0 "[ . 1 . ]"
1 47 LEU 11.863 0.300 16 0 "[ . 1 . ]"
1 48 LYS 0.865 0.111 3 0 "[ . 1 . ]"
1 49 LYS 5.219 0.173 18 0 "[ . 1 . ]"
1 50 ALA 4.090 0.174 13 0 "[ . 1 . ]"
1 51 ASN 10.504 0.254 4 0 "[ . 1 . ]"
1 52 PRO 9.113 0.254 4 0 "[ . 1 . ]"
1 53 ASP 5.817 0.221 12 0 "[ . 1 . ]"
1 54 LEU 3.542 0.157 6 0 "[ . 1 . ]"
1 55 PRO 6.431 0.201 7 0 "[ . 1 . ]"
1 56 ILE 6.796 0.201 7 0 "[ . 1 . ]"
1 57 LEU 0.124 0.034 7 0 "[ . 1 . ]"
1 58 ILE 3.658 0.130 12 0 "[ . 1 . ]"
1 59 ARG 5.783 0.192 14 0 "[ . 1 . ]"
1 60 GLU 1.656 0.152 16 0 "[ . 1 . ]"
1 63 ASP 3.210 0.302 19 0 "[ . 1 . ]"
1 64 VAL 2.389 0.286 8 0 "[ . 1 . ]"
1 65 GLN 9.205 0.302 19 0 "[ . 1 . ]"
1 66 PRO 1.260 0.075 15 0 "[ . 1 . ]"
1 67 LYS 13.448 0.305 10 0 "[ . 1 . ]"
1 68 LEU 9.814 0.297 8 0 "[ . 1 . ]"
1 69 TRP 14.462 0.337 10 0 "[ . 1 . ]"
1 70 ALA 1.481 0.152 15 0 "[ . 1 . ]"
1 71 ARG 10.536 0.297 7 0 "[ . 1 . ]"
1 72 TYR 17.020 0.354 19 0 "[ . 1 . ]"
1 73 ALA 5.417 0.246 14 0 "[ . 1 . ]"
1 74 PHE 0.047 0.017 14 0 "[ . 1 . ]"
1 75 GLY 4.193 0.246 14 0 "[ . 1 . ]"
1 76 GLN 0.347 0.094 12 0 "[ . 1 . ]"
1 77 GLU 0.913 0.136 1 0 "[ . 1 . ]"
1 78 THR 4.123 0.153 15 0 "[ . 1 . ]"
1 79 ASN 5.007 0.337 10 0 "[ . 1 . ]"
1 80 VAL 18.218 0.321 14 0 "[ . 1 . ]"
1 81 PRO 11.512 0.321 14 0 "[ . 1 . ]"
1 82 LEU 8.008 0.305 10 0 "[ . 1 . ]"
1 83 ASN 6.132 0.181 9 0 "[ . 1 . ]"
1 84 ASN 3.540 0.181 9 0 "[ . 1 . ]"
1 85 PHE 3.015 0.125 18 0 "[ . 1 . ]"
1 86 SER 2.797 0.125 18 0 "[ . 1 . ]"
1 87 ALA 6.332 0.175 10 0 "[ . 1 . ]"
1 88 ASP 0.827 0.197 5 0 "[ . 1 . ]"
1 89 GLN 4.558 0.216 12 0 "[ . 1 . ]"
1 90 VAL 3.617 0.125 4 0 "[ . 1 . ]"
1 91 THR 3.257 0.186 8 0 "[ . 1 . ]"
1 92 ARG 4.865 0.186 8 0 "[ . 1 . ]"
1 93 ALA 6.081 0.216 12 0 "[ . 1 . ]"
1 94 LEU 3.036 0.199 11 0 "[ . 1 . ]"
1 95 GLU 9.321 0.348 2 0 "[ . 1 . ]"
1 96 ASN 2.343 0.157 7 0 "[ . 1 . ]"
1 97 VAL 5.971 0.287 19 0 "[ . 1 . ]"
1 98 LEU 20.286 0.394 16 0 "[ . 1 . ]"
1 99 SER 5.634 0.290 11 0 "[ . 1 . ]"
1 100 GLY 0.003 0.003 17 0 "[ . 1 . ]"
1 101 LYS 8.950 0.394 16 0 "[ . 1 . ]"
1 102 ALA 3.306 0.136 8 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 GLY QA 1 19 LEU H 3.500 . 4.000 2.666 2.134 2.970 . 0 0 "[ . 1 . ]" 1
2 1 19 LEU H 1 20 ARG H 3.500 . 4.200 4.244 4.205 4.296 0.096 6 0 "[ . 1 . ]" 1
3 1 19 LEU H 1 54 LEU HA 5.000 . 6.500 3.926 3.618 4.254 . 0 0 "[ . 1 . ]" 1
4 1 19 LEU HA 1 20 ARG H 2.700 . 3.200 2.583 2.344 2.813 . 0 0 "[ . 1 . ]" 1
5 1 19 LEU HA 1 21 GLU H 5.000 . 6.500 4.342 3.790 4.689 . 0 0 "[ . 1 . ]" 1
6 1 19 LEU HA 1 72 TYR HA 2.700 . 3.200 2.606 1.580 3.233 0.033 4 0 "[ . 1 . ]" 1
7 1 19 LEU HA 1 72 TYR QD . . 5.000 4.077 3.601 4.568 . 0 0 "[ . 1 . ]" 1
8 1 19 LEU HA 1 72 TYR QE 5.800 . 7.300 6.213 5.777 6.682 . 0 0 "[ . 1 . ]" 1
9 1 19 LEU HA 1 73 ALA H 5.000 . 6.500 1.923 1.563 2.418 . 0 0 "[ . 1 . ]" 1
10 1 19 LEU QB 1 54 LEU MD2 6.800 . 8.300 4.910 4.089 6.306 . 0 0 "[ . 1 . ]" 1
11 1 19 LEU QB 1 72 TYR QD . . 4.800 2.236 1.532 3.614 . 0 0 "[ . 1 . ]" 1
12 1 19 LEU QB 1 72 TYR QE 4.300 . 4.800 4.137 3.548 4.905 0.105 19 0 "[ . 1 . ]" 1
13 1 19 LEU MD1 1 20 ARG H 4.500 . 5.200 3.408 2.881 4.346 . 0 0 "[ . 1 . ]" 1
14 1 19 LEU MD1 1 21 GLU H 4.500 . 5.200 2.684 2.134 4.057 . 0 0 "[ . 1 . ]" 1
15 1 19 LEU MD1 1 54 LEU HA . . 5.200 2.213 1.827 2.516 . 0 0 "[ . 1 . ]" 1
16 1 19 LEU MD1 1 54 LEU HB3 6.000 . 7.500 4.410 3.869 4.783 . 0 0 "[ . 1 . ]" 1
17 1 19 LEU MD1 1 54 LEU HG 4.500 . 5.200 3.212 1.919 4.350 . 0 0 "[ . 1 . ]" 1
18 1 19 LEU MD1 1 55 PRO QD 4.500 . 5.000 1.820 1.694 1.929 . 0 0 "[ . 1 . ]" 1
19 1 19 LEU MD1 1 55 PRO HG3 6.000 . 7.500 4.049 3.731 4.323 . 0 0 "[ . 1 . ]" 1
20 1 19 LEU MD1 1 71 ARG H 3.700 . 4.200 4.193 3.926 4.342 0.142 13 0 "[ . 1 . ]" 1
21 1 19 LEU MD1 1 72 TYR QE . . 6.000 4.924 4.410 5.112 . 0 0 "[ . 1 . ]" 1
22 1 19 LEU MD1 1 97 VAL MG2 5.500 . 6.200 5.691 4.867 6.267 0.067 8 0 "[ . 1 . ]" 1
23 1 19 LEU MD1 1 99 SER HA . . 5.200 5.192 4.956 5.270 0.070 4 0 "[ . 1 . ]" 1
24 1 19 LEU MD2 1 20 ARG H 4.500 . 5.200 3.507 3.047 3.733 . 0 0 "[ . 1 . ]" 1
25 1 19 LEU MD2 1 21 GLU H 4.500 . 5.200 2.741 2.363 3.264 . 0 0 "[ . 1 . ]" 1
26 1 19 LEU MD2 1 22 ILE MD 7.000 . 8.500 2.281 1.927 2.944 . 0 0 "[ . 1 . ]" 1
27 1 19 LEU MD2 1 54 LEU MD2 4.700 . 5.200 3.334 2.612 4.363 . 0 0 "[ . 1 . ]" 1
28 1 19 LEU MD2 1 55 PRO QD 6.800 . 8.300 3.763 3.277 3.993 . 0 0 "[ . 1 . ]" 1
29 1 19 LEU MD2 1 70 ALA MB 5.300 . 6.000 2.258 1.986 2.552 . 0 0 "[ . 1 . ]" 1
30 1 19 LEU MD2 1 71 ARG H 4.500 . 5.200 2.523 2.133 2.694 . 0 0 "[ . 1 . ]" 1
31 1 19 LEU MD2 1 72 TYR HA 4.500 . 5.200 2.747 2.477 3.325 . 0 0 "[ . 1 . ]" 1
32 1 19 LEU MD2 1 72 TYR QD 6.800 . 8.300 2.044 1.492 2.520 . 0 0 "[ . 1 . ]" 1
33 1 19 LEU MD2 1 72 TYR QE 4.500 . 5.000 2.631 2.212 2.845 . 0 0 "[ . 1 . ]" 1
34 1 19 LEU MD2 1 73 ALA HA 6.000 . 7.500 6.477 6.071 7.204 . 0 0 "[ . 1 . ]" 1
35 1 19 LEU MD2 1 97 VAL MG2 4.700 . 5.200 4.317 3.942 4.867 . 0 0 "[ . 1 . ]" 1
36 1 19 LEU HG 1 72 TYR QD 3.500 . 4.000 2.916 2.372 3.216 . 0 0 "[ . 1 . ]" 1
37 1 19 LEU HG 1 72 TYR QE 3.500 . 4.000 4.051 3.913 4.093 0.093 3 0 "[ . 1 . ]" 1
38 1 20 ARG H 1 21 GLU H 2.700 . 3.200 2.161 1.899 2.431 . 0 0 "[ . 1 . ]" 1
39 1 20 ARG H 1 71 ARG H 5.000 . 6.500 4.341 3.960 4.677 . 0 0 "[ . 1 . ]" 1
40 1 20 ARG H 1 72 TYR HA 3.500 . 4.200 2.336 1.988 2.475 . 0 0 "[ . 1 . ]" 1
41 1 20 ARG HA 1 21 GLU HB3 5.000 . 6.500 5.217 4.796 6.450 . 0 0 "[ . 1 . ]" 1
42 1 20 ARG HA 1 72 TYR QD 5.800 . 7.300 7.214 6.826 7.395 0.095 19 0 "[ . 1 . ]" 1
43 1 20 ARG HB2 1 21 GLU H 2.700 . 3.200 2.919 2.505 3.263 0.063 17 0 "[ . 1 . ]" 1
44 1 20 ARG HB2 1 21 GLU HB3 5.000 . 6.500 4.510 4.088 5.524 . 0 0 "[ . 1 . ]" 1
45 1 20 ARG HD3 1 73 ALA HA 5.000 . 6.500 3.755 2.501 5.433 . 0 0 "[ . 1 . ]" 1
46 1 20 ARG HG3 1 73 ALA H 2.700 . 3.200 3.267 3.208 3.365 0.165 8 0 "[ . 1 . ]" 1
47 1 20 ARG HG3 1 73 ALA HA . . 3.200 2.303 1.694 2.809 . 0 0 "[ . 1 . ]" 1
48 1 21 GLU H 1 22 ILE H 5.000 . 6.500 4.401 4.307 4.501 . 0 0 "[ . 1 . ]" 1
49 1 21 GLU H 1 71 ARG H 3.500 . 4.200 3.014 2.926 3.251 . 0 0 "[ . 1 . ]" 1
50 1 21 GLU H 1 72 TYR HA 2.700 . 3.200 3.481 3.413 3.554 0.354 19 0 "[ . 1 . ]" 1
51 1 21 GLU HA 1 22 ILE H 2.700 . 3.200 2.334 2.224 2.546 . 0 0 "[ . 1 . ]" 1
52 1 21 GLU HA 1 55 PRO QD 3.500 . 4.000 3.155 2.310 4.014 0.014 19 0 "[ . 1 . ]" 1
53 1 21 GLU HA 1 55 PRO HG3 . . 3.200 3.292 3.265 3.320 0.120 17 0 "[ . 1 . ]" 1
54 1 21 GLU HB2 1 69 TRP HE1 3.500 . 4.200 3.907 2.475 4.229 0.029 2 0 "[ . 1 . ]" 1
55 1 21 GLU HB2 1 71 ARG H 3.500 . 4.200 4.195 3.105 4.379 0.179 15 0 "[ . 1 . ]" 1
56 1 21 GLU HG2 1 69 TRP HE1 2.700 . 3.200 3.087 2.003 3.339 0.139 18 0 "[ . 1 . ]" 1
57 1 21 GLU HG3 1 69 TRP HE1 2.700 . 3.200 2.521 2.047 3.360 0.160 17 0 "[ . 1 . ]" 1
58 1 22 ILE H 1 23 ARG H 5.000 . 6.500 4.111 3.817 4.274 . 0 0 "[ . 1 . ]" 1
59 1 22 ILE H 1 54 LEU HA 5.000 . 6.500 5.235 4.845 5.568 . 0 0 "[ . 1 . ]" 1
60 1 22 ILE H 1 54 LEU MD1 6.000 . 7.500 5.045 3.561 6.179 . 0 0 "[ . 1 . ]" 1
61 1 22 ILE H 1 55 PRO HB3 2.700 . 3.200 3.303 3.259 3.351 0.151 7 0 "[ . 1 . ]" 1
62 1 22 ILE H 1 56 ILE HA 3.500 . 4.200 4.067 3.646 4.305 0.105 2 0 "[ . 1 . ]" 1
63 1 22 ILE H 1 57 LEU H 3.500 . 4.200 4.050 3.849 4.231 0.031 17 0 "[ . 1 . ]" 1
64 1 22 ILE HA 1 23 ARG H 2.700 . 3.200 1.993 1.889 2.065 . 0 0 "[ . 1 . ]" 1
65 1 22 ILE HA 1 54 LEU MD1 6.000 . 7.500 5.425 4.065 6.291 . 0 0 "[ . 1 . ]" 1
66 1 22 ILE HA 1 56 ILE HA 5.000 . 6.500 5.436 4.946 5.747 . 0 0 "[ . 1 . ]" 1
67 1 22 ILE HA 1 70 ALA HA . . 4.200 2.516 2.346 2.731 . 0 0 "[ . 1 . ]" 1
68 1 22 ILE HA 1 70 ALA MB 3.500 . 4.000 3.745 3.480 3.999 . 0 0 "[ . 1 . ]" 1
69 1 22 ILE HA 1 71 ARG H 5.000 . 6.500 3.835 3.520 3.974 . 0 0 "[ . 1 . ]" 1
70 1 22 ILE HB 1 23 ARG H 3.500 . 4.200 4.255 4.207 4.307 0.107 19 0 "[ . 1 . ]" 1
71 1 22 ILE HB 1 56 ILE HA 5.000 . 6.500 3.318 2.809 4.221 . 0 0 "[ . 1 . ]" 1
72 1 22 ILE HB 1 56 ILE MD 4.500 . 5.200 4.133 3.333 5.116 . 0 0 "[ . 1 . ]" 1
73 1 22 ILE MD 1 70 ALA HA 3.700 . 4.200 2.025 1.725 2.511 . 0 0 "[ . 1 . ]" 1
74 1 22 ILE MG 1 23 ARG H 3.700 . 4.200 2.873 2.686 3.194 . 0 0 "[ . 1 . ]" 1
75 1 22 ILE MG 1 56 ILE HA 3.700 . 4.200 2.788 1.705 3.334 . 0 0 "[ . 1 . ]" 1
76 1 23 ARG H 1 24 ILE H 5.000 . 6.500 3.999 3.882 4.230 . 0 0 "[ . 1 . ]" 1
77 1 23 ARG H 1 69 TRP H 3.500 . 4.200 3.312 3.123 3.529 . 0 0 "[ . 1 . ]" 1
78 1 23 ARG H 1 69 TRP HB3 5.000 . 6.500 2.848 2.676 3.156 . 0 0 "[ . 1 . ]" 1
79 1 23 ARG H 1 69 TRP HD1 3.500 . 4.200 2.793 2.455 3.158 . 0 0 "[ . 1 . ]" 1
80 1 23 ARG H 1 70 ALA H 5.000 . 6.500 4.695 4.530 4.776 . 0 0 "[ . 1 . ]" 1
81 1 23 ARG H 1 70 ALA HA 5.000 . 6.500 3.578 3.390 3.688 . 0 0 "[ . 1 . ]" 1
82 1 23 ARG HA 1 24 ILE H 2.700 . 3.200 2.103 2.006 2.168 . 0 0 "[ . 1 . ]" 1
83 1 23 ARG HA 1 24 ILE QG 4.500 . 5.200 3.380 3.095 3.577 . 0 0 "[ . 1 . ]" 1
84 1 23 ARG HA 1 57 LEU H 3.500 . 4.200 2.820 2.491 3.159 . 0 0 "[ . 1 . ]" 1
85 1 23 ARG HA 1 57 LEU HB3 5.000 . 6.500 3.862 3.427 4.249 . 0 0 "[ . 1 . ]" 1
86 1 23 ARG HA 1 59 ARG H 5.000 . 6.500 4.681 4.292 5.045 . 0 0 "[ . 1 . ]" 1
87 1 23 ARG HB2 1 69 TRP HB3 3.500 . 4.200 2.067 1.677 4.092 . 0 0 "[ . 1 . ]" 1
88 1 23 ARG HB3 1 69 TRP H 5.000 . 6.500 4.705 4.000 5.113 . 0 0 "[ . 1 . ]" 1
89 1 23 ARG HB3 1 69 TRP HB3 5.000 . 6.500 3.152 2.391 3.602 . 0 0 "[ . 1 . ]" 1
90 1 24 ILE H 1 57 LEU H 3.500 . 4.200 3.581 3.379 3.685 . 0 0 "[ . 1 . ]" 1
91 1 24 ILE H 1 58 ILE HA 2.700 . 3.200 3.097 2.668 3.289 0.089 17 0 "[ . 1 . ]" 1
92 1 24 ILE H 1 59 ARG H 3.500 . 4.200 3.584 3.160 3.981 . 0 0 "[ . 1 . ]" 1
93 1 24 ILE HA 1 25 HIS H 2.700 . 3.200 2.092 1.990 2.193 . 0 0 "[ . 1 . ]" 1
94 1 24 ILE HA 1 25 HIS HB2 5.000 . 6.500 4.544 4.103 4.691 . 0 0 "[ . 1 . ]" 1
95 1 24 ILE HA 1 68 LEU HA . . 3.200 2.844 2.262 3.214 0.014 2 0 "[ . 1 . ]" 1
96 1 24 ILE HA 1 68 LEU MD1 3.700 . 4.200 3.058 1.868 3.564 . 0 0 "[ . 1 . ]" 1
97 1 24 ILE HA 1 69 TRP H 5.000 . 6.500 3.008 2.720 3.439 . 0 0 "[ . 1 . ]" 1
98 1 24 ILE HB 1 25 HIS H 2.700 . 3.200 3.314 3.244 3.386 0.186 11 0 "[ . 1 . ]" 1
99 1 24 ILE HB 1 58 ILE HA . . 3.200 3.158 2.878 3.330 0.130 12 0 "[ . 1 . ]" 1
100 1 24 ILE HB 1 58 ILE MD . . 5.200 3.980 2.320 5.244 0.044 6 0 "[ . 1 . ]" 1
101 1 24 ILE HB 1 59 ARG H 2.700 . 3.200 3.240 3.065 3.291 0.091 1 0 "[ . 1 . ]" 1
102 1 24 ILE MD 1 26 LEU H 4.500 . 5.200 5.212 5.075 5.307 0.107 9 0 "[ . 1 . ]" 1
103 1 24 ILE MD 1 26 LEU HA 4.500 . 5.200 5.272 5.143 5.352 0.152 16 0 "[ . 1 . ]" 1
104 1 24 ILE MD 1 39 PHE QE 6.800 . 8.300 1.488 1.233 1.751 . 0 0 "[ . 1 . ]" 1
105 1 24 ILE MD 1 44 TYR QD 5.300 . 6.000 3.336 2.736 3.724 . 0 0 "[ . 1 . ]" 1
106 1 24 ILE MD 1 44 TYR QE 4.500 . 5.000 3.110 1.753 4.037 . 0 0 "[ . 1 . ]" 1
107 1 24 ILE QG 1 25 HIS H 4.500 . 5.200 4.488 4.421 4.525 . 0 0 "[ . 1 . ]" 1
108 1 24 ILE QG 1 39 PHE QE 4.500 . 5.000 3.038 2.543 3.635 . 0 0 "[ . 1 . ]" 1
109 1 24 ILE QG 1 44 TYR QD 6.800 . 8.300 5.169 4.605 5.567 . 0 0 "[ . 1 . ]" 1
110 1 24 ILE QG 1 44 TYR QE 4.500 . 5.000 4.606 3.528 5.052 0.052 5 0 "[ . 1 . ]" 1
111 1 24 ILE MG 1 47 LEU MD2 5.500 . 6.200 4.835 4.297 5.380 . 0 0 "[ . 1 . ]" 1
112 1 24 ILE MG 1 58 ILE MD 4.700 . 5.200 4.514 3.384 5.225 0.025 15 0 "[ . 1 . ]" 1
113 1 24 ILE MG 1 68 LEU HA 4.500 . 5.200 3.305 2.772 3.759 . 0 0 "[ . 1 . ]" 1
114 1 24 ILE MG 1 82 LEU MD2 7.000 . 8.500 3.115 2.345 4.342 . 0 0 "[ . 1 . ]" 1
115 1 24 ILE MG 1 90 VAL MG2 4.700 . 5.200 4.940 4.569 5.307 0.107 10 0 "[ . 1 . ]" 1
116 1 25 HIS H 1 26 LEU H 5.000 . 6.500 4.302 4.145 4.379 . 0 0 "[ . 1 . ]" 1
117 1 25 HIS H 1 59 ARG HB2 3.500 . 4.200 4.306 4.223 4.392 0.192 14 0 "[ . 1 . ]" 1
118 1 25 HIS H 1 67 LYS H 3.500 . 4.200 3.285 3.058 3.735 . 0 0 "[ . 1 . ]" 1
119 1 25 HIS H 1 68 LEU HA 3.500 . 4.200 3.589 2.708 3.890 . 0 0 "[ . 1 . ]" 1
120 1 25 HIS HA 1 26 LEU H 2.700 . 3.200 2.174 2.096 2.291 . 0 0 "[ . 1 . ]" 1
121 1 25 HIS HA 1 58 ILE MG 6.000 . 7.500 5.416 4.247 6.847 . 0 0 "[ . 1 . ]" 1
122 1 25 HIS HA 1 59 ARG H 3.500 . 4.200 3.154 2.776 3.436 . 0 0 "[ . 1 . ]" 1
123 1 25 HIS HA 1 59 ARG HB2 . . 3.200 2.318 1.612 2.660 . 0 0 "[ . 1 . ]" 1
124 1 25 HIS HB2 1 26 LEU H 5.000 . 6.500 4.329 4.235 4.661 . 0 0 "[ . 1 . ]" 1
125 1 25 HIS HB2 1 67 LYS H 5.000 . 6.500 2.658 1.650 4.439 . 0 0 "[ . 1 . ]" 1
126 1 25 HIS HB2 1 68 LEU MD1 6.000 . 7.500 6.222 4.997 6.643 . 0 0 "[ . 1 . ]" 1
127 1 25 HIS HB3 1 67 LYS H 3.500 . 4.200 3.838 2.936 4.263 0.063 18 0 "[ . 1 . ]" 1
128 1 25 HIS HB3 1 67 LYS HG2 5.000 . 6.500 4.877 3.649 5.860 . 0 0 "[ . 1 . ]" 1
129 1 25 HIS HB3 1 67 LYS HG3 5.000 . 6.500 5.853 4.390 6.526 0.026 17 0 "[ . 1 . ]" 1
130 1 25 HIS HD1 1 67 LYS HG2 . . 3.200 3.238 2.811 3.302 0.102 7 0 "[ . 1 . ]" 1
131 1 25 HIS HD1 1 69 TRP HB2 5.000 . 6.500 4.049 3.509 5.071 . 0 0 "[ . 1 . ]" 1
132 1 25 HIS HD1 1 69 TRP HB3 5.000 . 6.500 5.096 4.585 5.981 . 0 0 "[ . 1 . ]" 1
133 1 26 LEU H 1 59 ARG H 3.500 . 4.200 3.586 3.233 3.899 . 0 0 "[ . 1 . ]" 1
134 1 26 LEU H 1 60 GLU HA 2.700 . 3.200 2.905 2.069 3.277 0.077 1 0 "[ . 1 . ]" 1
135 1 26 LEU HA 1 27 CYS H 2.700 . 3.200 2.900 2.132 3.373 0.173 17 0 "[ . 1 . ]" 1
136 1 26 LEU HA 1 40 ILE MD 3.700 . 4.200 4.163 3.409 4.375 0.175 8 0 "[ . 1 . ]" 1
137 1 26 LEU QB 1 27 CYS H 4.300 . 5.000 2.521 1.550 3.684 . 0 0 "[ . 1 . ]" 1
138 1 26 LEU QB 1 40 ILE MD 4.500 . 5.000 3.065 2.623 3.883 . 0 0 "[ . 1 . ]" 1
139 1 29 ARG HA 1 30 SER H 5.000 . 6.500 3.510 2.228 3.666 . 0 0 "[ . 1 . ]" 1
140 1 29 ARG QD 1 30 SER QB 4.300 . 4.800 3.907 2.907 4.864 0.064 16 0 "[ . 1 . ]" 1
141 1 30 SER H 1 65 GLN HA 3.500 . 4.200 4.267 3.798 4.468 0.268 6 0 "[ . 1 . ]" 1
142 1 30 SER QB 1 65 GLN HA 3.500 . 4.000 3.851 3.286 4.088 0.088 1 0 "[ . 1 . ]" 1
143 1 31 PRO HA 1 32 GLY H 5.000 . 6.500 2.367 2.042 3.587 . 0 0 "[ . 1 . ]" 1
144 1 31 PRO HB2 1 64 VAL MG2 3.700 . 4.200 4.193 2.961 4.342 0.142 4 0 "[ . 1 . ]" 1
145 1 33 SER H 1 34 GLN H 3.500 . 4.200 4.104 3.783 4.240 0.040 5 0 "[ . 1 . ]" 1
146 1 33 SER HA 1 34 GLN H 3.500 . 4.200 2.041 1.911 2.290 . 0 0 "[ . 1 . ]" 1
147 1 33 SER HA 1 36 VAL H 3.500 . 4.200 4.137 3.831 4.287 0.087 9 0 "[ . 1 . ]" 1
148 1 33 SER HA 1 83 ASN HD21 2.700 . 3.200 2.890 2.017 3.275 0.075 19 0 "[ . 1 . ]" 1
149 1 33 SER HB2 1 36 VAL MG2 3.700 . 4.200 2.888 1.634 4.252 0.052 18 0 "[ . 1 . ]" 1
150 1 33 SER HB2 1 83 ASN HA 5.000 . 6.500 3.631 1.775 6.204 . 0 0 "[ . 1 . ]" 1
151 1 33 SER HB3 1 34 GLN H 2.700 . 3.200 3.206 2.715 3.377 0.177 18 0 "[ . 1 . ]" 1
152 1 33 SER HB3 1 36 VAL H 2.700 . 3.200 2.619 1.817 3.202 0.002 12 0 "[ . 1 . ]" 1
153 1 34 GLN H 1 35 GLY H 2.700 . 3.200 2.064 1.765 2.288 . 0 0 "[ . 1 . ]" 1
154 1 34 GLN H 1 36 VAL H 2.700 . 3.200 3.374 3.289 3.491 0.291 4 0 "[ . 1 . ]" 1
155 1 34 GLN HA 1 37 ARG H 2.700 . 3.200 3.273 3.206 3.313 0.113 10 0 "[ . 1 . ]" 1
156 1 34 GLN HA 1 37 ARG QD 5.800 . 7.300 3.141 2.048 4.010 . 0 0 "[ . 1 . ]" 1
157 1 34 GLN HB2 1 35 GLY H 3.500 . 4.200 3.823 3.494 4.040 . 0 0 "[ . 1 . ]" 1
158 1 34 GLN HE21 1 84 ASN HA 5.000 . 6.500 6.230 4.001 6.582 0.082 1 0 "[ . 1 . ]" 1
159 1 34 GLN HE22 1 35 GLY H 5.000 . 6.500 4.987 3.194 6.103 . 0 0 "[ . 1 . ]" 1
160 1 34 GLN QG 1 35 GLY H 2.700 . 3.200 2.347 1.934 3.114 . 0 0 "[ . 1 . ]" 1
161 1 35 GLY H 1 36 VAL H 3.500 . 4.200 2.450 2.292 2.704 . 0 0 "[ . 1 . ]" 1
162 1 35 GLY H 1 36 VAL MG1 6.000 . 7.500 4.668 3.740 5.743 . 0 0 "[ . 1 . ]" 1
163 1 35 GLY H 1 37 ARG H 5.000 . 6.500 4.350 4.175 4.558 . 0 0 "[ . 1 . ]" 1
164 1 35 GLY H 1 87 ALA H 5.000 . 6.500 5.272 4.622 5.965 . 0 0 "[ . 1 . ]" 1
165 1 35 GLY HA3 1 36 VAL MG2 6.000 . 7.500 4.855 3.836 5.646 . 0 0 "[ . 1 . ]" 1
166 1 36 VAL H 1 37 ARG H 3.500 . 4.200 2.697 2.556 2.862 . 0 0 "[ . 1 . ]" 1
167 1 36 VAL H 1 66 PRO HB2 5.000 . 6.500 5.320 3.847 6.440 . 0 0 "[ . 1 . ]" 1
168 1 36 VAL HA 1 39 PHE HB2 5.000 . 6.500 3.734 3.385 4.107 . 0 0 "[ . 1 . ]" 1
169 1 36 VAL HA 1 39 PHE QD 4.300 . 5.000 3.585 2.718 4.334 . 0 0 "[ . 1 . ]" 1
170 1 36 VAL HA 1 40 ILE MD 6.000 . 7.500 3.716 3.188 4.003 . 0 0 "[ . 1 . ]" 1
171 1 36 VAL HA 1 90 VAL MG1 . . 4.200 3.505 3.070 3.985 . 0 0 "[ . 1 . ]" 1
172 1 36 VAL HA 1 90 VAL MG2 . . 5.200 3.026 2.503 3.453 . 0 0 "[ . 1 . ]" 1
173 1 36 VAL HB 1 37 ARG H 5.000 . 6.500 3.333 1.937 3.944 . 0 0 "[ . 1 . ]" 1
174 1 36 VAL MG1 1 58 ILE MG 7.000 . 8.500 7.301 5.801 8.460 . 0 0 "[ . 1 . ]" 1
175 1 36 VAL MG1 1 66 PRO HA . . 4.200 3.144 2.058 4.275 0.075 15 0 "[ . 1 . ]" 1
176 1 36 VAL MG1 1 66 PRO HB2 6.000 . 7.500 2.649 2.118 3.394 . 0 0 "[ . 1 . ]" 1
177 1 36 VAL MG1 1 66 PRO HB3 6.000 . 7.500 2.060 1.519 2.916 . 0 0 "[ . 1 . ]" 1
178 1 36 VAL MG1 1 67 LYS HA 6.000 . 7.500 5.907 4.853 6.730 . 0 0 "[ . 1 . ]" 1
179 1 36 VAL MG1 1 82 LEU MD1 5.500 . 6.200 2.305 1.209 3.394 . 0 0 "[ . 1 . ]" 1
180 1 36 VAL MG1 1 90 VAL MG2 7.000 . 8.500 4.255 2.935 5.350 . 0 0 "[ . 1 . ]" 1
181 1 36 VAL MG2 1 37 ARG HG2 6.000 . 7.500 5.903 5.084 7.268 . 0 0 "[ . 1 . ]" 1
182 1 36 VAL MG2 1 82 LEU MD1 . . 5.200 2.591 1.786 3.969 . 0 0 "[ . 1 . ]" 1
183 1 36 VAL MG2 1 90 VAL MG2 7.000 . 8.500 4.410 3.272 5.412 . 0 0 "[ . 1 . ]" 1
184 1 37 ARG H 1 38 ASP H 2.700 . 3.200 2.995 2.723 3.201 0.001 2 0 "[ . 1 . ]" 1
185 1 37 ARG H 1 40 ILE MD 3.700 . 4.200 4.342 4.283 4.384 0.184 3 0 "[ . 1 . ]" 1
186 1 37 ARG H 1 40 ILE HG12 2.700 . 3.200 3.375 3.342 3.428 0.228 5 0 "[ . 1 . ]" 1
187 1 37 ARG HA 1 40 ILE H 3.500 . 4.200 3.491 3.101 3.917 . 0 0 "[ . 1 . ]" 1
188 1 37 ARG HA 1 40 ILE HB 2.700 . 3.200 2.638 2.312 3.022 . 0 0 "[ . 1 . ]" 1
189 1 37 ARG HA 1 40 ILE MD 4.500 . 5.200 3.753 3.398 4.156 . 0 0 "[ . 1 . ]" 1
190 1 37 ARG HA 1 40 ILE HG12 2.700 . 3.200 2.167 1.668 2.683 . 0 0 "[ . 1 . ]" 1
191 1 37 ARG HA 1 40 ILE MG 3.700 . 4.200 3.742 3.463 4.159 . 0 0 "[ . 1 . ]" 1
192 1 37 ARG HB2 1 38 ASP H 2.700 . 3.200 3.370 3.307 3.451 0.251 16 0 "[ . 1 . ]" 1
193 1 37 ARG QD 1 40 ILE MG 6.800 . 8.300 6.193 5.437 6.743 . 0 0 "[ . 1 . ]" 1
194 1 37 ARG HG2 1 38 ASP HA 3.500 . 4.200 3.968 3.427 4.341 0.141 18 0 "[ . 1 . ]" 1
195 1 38 ASP H 1 39 PHE H 2.700 . 3.200 2.800 2.666 2.907 . 0 0 "[ . 1 . ]" 1
196 1 38 ASP H 1 39 PHE QD 5.800 . 7.300 5.695 5.405 5.962 . 0 0 "[ . 1 . ]" 1
197 1 38 ASP H 1 40 ILE HG12 5.000 . 6.500 4.448 4.287 4.608 . 0 0 "[ . 1 . ]" 1
198 1 38 ASP H 1 87 ALA MB 3.500 . 4.000 4.113 4.041 4.162 0.162 10 0 "[ . 1 . ]" 1
199 1 38 ASP HA 1 41 GLU H 2.700 . 3.200 3.405 3.280 3.518 0.318 15 0 "[ . 1 . ]" 1
200 1 38 ASP HA 1 41 GLU HG2 3.500 . 4.200 3.739 2.384 4.271 0.071 9 0 "[ . 1 . ]" 1
201 1 38 ASP HB2 1 39 PHE H . . 3.200 2.540 2.301 2.776 . 0 0 "[ . 1 . ]" 1
202 1 38 ASP HB2 1 39 PHE HA 5.000 . 6.500 4.563 4.393 4.743 . 0 0 "[ . 1 . ]" 1
203 1 38 ASP HB2 1 87 ALA HA 2.700 . 3.200 3.237 3.202 3.282 0.082 16 0 "[ . 1 . ]" 1
204 1 38 ASP HB2 1 87 ALA MB 3.500 . 4.000 2.128 2.000 2.460 . 0 0 "[ . 1 . ]" 1
205 1 38 ASP HB3 1 39 PHE H 3.500 . 4.200 3.078 2.717 3.377 . 0 0 "[ . 1 . ]" 1
206 1 38 ASP HB3 1 39 PHE HA 3.500 . 4.200 4.002 3.753 4.203 0.003 6 0 "[ . 1 . ]" 1
207 1 38 ASP HB3 1 87 ALA HA 2.700 . 3.200 3.334 3.286 3.375 0.175 10 0 "[ . 1 . ]" 1
208 1 38 ASP HB3 1 87 ALA MB . . 5.000 1.407 1.235 1.863 . 0 0 "[ . 1 . ]" 1
209 1 39 PHE H 1 87 ALA MB 4.300 . 5.000 3.025 2.761 3.291 . 0 0 "[ . 1 . ]" 1
210 1 39 PHE HA 1 40 ILE H 2.700 . 3.200 3.381 3.364 3.393 0.193 11 0 "[ . 1 . ]" 1
211 1 39 PHE HA 1 42 LYS QB 3.500 . 4.000 4.118 4.034 4.196 0.196 10 0 "[ . 1 . ]" 1
212 1 39 PHE HA 1 43 ARG H 3.500 . 4.200 2.985 2.816 3.176 . 0 0 "[ . 1 . ]" 1
213 1 39 PHE HA 1 87 ALA HA 5.000 . 6.500 3.248 2.618 3.860 . 0 0 "[ . 1 . ]" 1
214 1 39 PHE HA 1 87 ALA MB 3.500 . 4.000 2.990 2.452 3.577 . 0 0 "[ . 1 . ]" 1
215 1 39 PHE HA 1 91 THR MG 3.700 . 4.200 3.523 3.099 3.858 . 0 0 "[ . 1 . ]" 1
216 1 39 PHE HB2 1 40 ILE H 5.000 . 6.500 3.856 3.763 3.979 . 0 0 "[ . 1 . ]" 1
217 1 39 PHE HB2 1 87 ALA HA . . 3.200 2.568 2.336 2.907 . 0 0 "[ . 1 . ]" 1
218 1 39 PHE HB2 1 87 ALA MB 4.300 . 5.000 3.665 3.402 3.986 . 0 0 "[ . 1 . ]" 1
219 1 39 PHE HB2 1 90 VAL HB 3.500 . 4.200 4.280 4.209 4.325 0.125 4 0 "[ . 1 . ]" 1
220 1 39 PHE HB2 1 90 VAL MG1 4.500 . 5.200 4.104 3.859 4.420 . 0 0 "[ . 1 . ]" 1
221 1 39 PHE HB2 1 90 VAL MG2 . . 5.200 1.986 1.917 2.119 . 0 0 "[ . 1 . ]" 1
222 1 39 PHE HB3 1 87 ALA HA 2.700 . 3.200 3.208 3.034 3.257 0.057 11 0 "[ . 1 . ]" 1
223 1 39 PHE HB3 1 87 ALA MB . . 5.000 4.206 4.057 4.386 . 0 0 "[ . 1 . ]" 1
224 1 39 PHE HB3 1 90 VAL HB 5.000 . 6.500 4.860 4.559 5.085 . 0 0 "[ . 1 . ]" 1
225 1 39 PHE HB3 1 90 VAL MG1 6.000 . 7.500 4.127 3.939 4.284 . 0 0 "[ . 1 . ]" 1
226 1 39 PHE HB3 1 90 VAL MG2 . . 5.200 2.496 2.289 2.690 . 0 0 "[ . 1 . ]" 1
227 1 39 PHE HB3 1 91 THR MG . . 5.200 4.304 3.899 4.537 . 0 0 "[ . 1 . ]" 1
228 1 39 PHE QD 1 40 ILE H 4.300 . 5.000 2.134 2.049 2.248 . 0 0 "[ . 1 . ]" 1
229 1 39 PHE QD 1 40 ILE HA . . 5.000 2.627 2.160 3.051 . 0 0 "[ . 1 . ]" 1
230 1 39 PHE QD 1 40 ILE HB 3.500 . 4.000 4.053 4.045 4.066 0.066 9 0 "[ . 1 . ]" 1
231 1 39 PHE QD 1 40 ILE MD 4.500 . 5.000 1.621 1.471 1.828 . 0 0 "[ . 1 . ]" 1
232 1 39 PHE QD 1 40 ILE HG12 . . 4.000 2.915 2.652 3.274 . 0 0 "[ . 1 . ]" 1
233 1 39 PHE QD 1 43 ARG H 5.800 . 7.300 5.341 5.143 5.452 . 0 0 "[ . 1 . ]" 1
234 1 39 PHE QD 1 43 ARG QB 6.600 . 8.100 3.894 3.627 4.262 . 0 0 "[ . 1 . ]" 1
235 1 39 PHE QD 1 47 LEU QB 5.100 . 5.800 3.898 3.413 4.429 . 0 0 "[ . 1 . ]" 1
236 1 39 PHE QD 1 47 LEU MD1 4.500 . 5.000 3.181 2.577 4.004 . 0 0 "[ . 1 . ]" 1
237 1 39 PHE QD 1 47 LEU MD2 4.500 . 5.000 2.666 2.262 3.061 . 0 0 "[ . 1 . ]" 1
238 1 39 PHE QD 1 47 LEU HG 4.300 . 5.000 5.129 5.031 5.198 0.198 17 0 "[ . 1 . ]" 1
239 1 39 PHE QD 1 87 ALA HA 5.800 . 7.300 4.408 4.101 4.771 . 0 0 "[ . 1 . ]" 1
240 1 39 PHE QD 1 90 VAL HB 5.800 . 7.300 3.625 3.106 4.020 . 0 0 "[ . 1 . ]" 1
241 1 39 PHE QD 1 90 VAL MG2 . . 6.000 2.013 1.587 2.326 . 0 0 "[ . 1 . ]" 1
242 1 39 PHE QD 1 91 THR H 4.300 . 5.000 3.587 3.215 3.796 . 0 0 "[ . 1 . ]" 1
243 1 39 PHE QD 1 91 THR HA 5.800 . 7.300 3.535 3.110 3.899 . 0 0 "[ . 1 . ]" 1
244 1 39 PHE QD 1 91 THR MG 6.800 . 8.300 1.853 1.579 2.247 . 0 0 "[ . 1 . ]" 1
245 1 39 PHE QE 1 40 ILE MD 4.500 . 5.000 2.134 1.887 2.583 . 0 0 "[ . 1 . ]" 1
246 1 39 PHE QE 1 47 LEU MD1 4.500 . 5.000 2.303 1.813 2.984 . 0 0 "[ . 1 . ]" 1
247 1 39 PHE QE 1 47 LEU MD2 . . 5.000 2.670 2.403 2.921 . 0 0 "[ . 1 . ]" 1
248 1 39 PHE QE 1 47 LEU HG 4.300 . 5.000 4.491 4.133 4.961 . 0 0 "[ . 1 . ]" 1
249 1 39 PHE QE 1 90 VAL MG2 6.800 . 8.300 3.606 3.349 3.811 . 0 0 "[ . 1 . ]" 1
250 1 39 PHE QE 1 91 THR HA 5.800 . 7.300 3.733 3.134 4.159 . 0 0 "[ . 1 . ]" 1
251 1 39 PHE QE 1 91 THR MG . . 6.000 2.845 2.531 3.136 . 0 0 "[ . 1 . ]" 1
252 1 39 PHE QE 1 94 LEU MD1 6.800 . 8.300 3.318 1.492 4.294 . 0 0 "[ . 1 . ]" 1
253 1 40 ILE H 1 41 GLU H 2.700 . 3.200 2.819 2.659 2.928 . 0 0 "[ . 1 . ]" 1
254 1 40 ILE HA 1 43 ARG H 5.000 . 6.500 5.044 4.836 5.197 . 0 0 "[ . 1 . ]" 1
255 1 40 ILE HA 1 44 TYR H 3.500 . 4.200 4.098 3.607 4.276 0.076 9 0 "[ . 1 . ]" 1
256 1 40 ILE HA 1 44 TYR HB2 . . 4.200 3.198 2.238 3.641 . 0 0 "[ . 1 . ]" 1
257 1 40 ILE HA 1 44 TYR HB3 5.000 . 6.500 4.892 3.955 5.335 . 0 0 "[ . 1 . ]" 1
258 1 40 ILE HA 1 44 TYR QD . . 5.000 3.005 2.477 3.875 . 0 0 "[ . 1 . ]" 1
259 1 40 ILE HB 1 41 GLU H 5.000 . 6.500 2.730 2.569 3.069 . 0 0 "[ . 1 . ]" 1
260 1 40 ILE HB 1 58 ILE HG12 5.000 . 6.500 6.502 5.598 6.590 0.090 17 0 "[ . 1 . ]" 1
261 1 40 ILE MD 1 58 ILE MD . . 6.200 3.602 1.935 5.151 . 0 0 "[ . 1 . ]" 1
262 1 40 ILE MG 1 41 GLU H 4.500 . 5.200 3.779 3.621 4.106 . 0 0 "[ . 1 . ]" 1
263 1 40 ILE MG 1 41 GLU HA 4.500 . 5.200 3.493 3.317 3.976 . 0 0 "[ . 1 . ]" 1
264 1 40 ILE MG 1 42 LYS H 6.000 . 7.500 5.449 5.238 5.795 . 0 0 "[ . 1 . ]" 1
265 1 40 ILE MG 1 44 TYR H 6.000 . 7.500 5.196 4.929 5.410 . 0 0 "[ . 1 . ]" 1
266 1 40 ILE MG 1 44 TYR HB2 3.700 . 4.200 3.909 3.411 4.207 0.007 10 0 "[ . 1 . ]" 1
267 1 40 ILE MG 1 44 TYR QD 4.500 . 5.000 3.668 2.898 4.349 . 0 0 "[ . 1 . ]" 1
268 1 40 ILE MG 1 58 ILE MD 4.700 . 5.200 3.279 1.716 4.268 . 0 0 "[ . 1 . ]" 1
269 1 41 GLU H 1 42 LYS H 2.700 . 3.200 2.186 1.965 2.330 . 0 0 "[ . 1 . ]" 1
270 1 41 GLU H 1 44 TYR H 2.700 . 3.200 3.575 3.515 3.631 0.431 4 0 "[ . 1 . ]" 1
271 1 41 GLU HA 1 42 LYS H 3.500 . 4.200 3.477 3.407 3.527 . 0 0 "[ . 1 . ]" 1
272 1 41 GLU HB2 1 42 LYS H 3.500 . 4.200 3.112 2.038 3.754 . 0 0 "[ . 1 . ]" 1
273 1 41 GLU HB2 1 42 LYS HA 5.000 . 6.500 4.594 3.983 5.556 . 0 0 "[ . 1 . ]" 1
274 1 41 GLU HB2 1 42 LYS QB 5.800 . 7.300 4.449 3.168 5.763 . 0 0 "[ . 1 . ]" 1
275 1 41 GLU HG3 1 42 LYS H 5.000 . 6.500 3.450 1.726 4.582 . 0 0 "[ . 1 . ]" 1
276 1 42 LYS H 1 43 ARG H 2.700 . 3.200 2.347 2.213 2.505 . 0 0 "[ . 1 . ]" 1
277 1 42 LYS QB 1 43 ARG H 3.500 . 4.000 2.618 2.322 2.918 . 0 0 "[ . 1 . ]" 1
278 1 43 ARG H 1 44 TYR H 2.700 . 3.200 2.062 1.911 2.132 . 0 0 "[ . 1 . ]" 1
279 1 43 ARG HA 1 44 TYR H 5.000 . 6.500 3.458 3.371 3.543 . 0 0 "[ . 1 . ]" 1
280 1 43 ARG HA 1 45 VAL H 5.000 . 6.500 4.840 4.467 5.152 . 0 0 "[ . 1 . ]" 1
281 1 43 ARG HA 1 46 GLU H 3.500 . 4.200 3.686 3.413 3.984 . 0 0 "[ . 1 . ]" 1
282 1 43 ARG HD2 1 45 VAL MG1 6.000 . 7.500 5.786 5.142 7.267 . 0 0 "[ . 1 . ]" 1
283 1 43 ARG HD2 1 46 GLU QB 3.500 . 4.000 2.297 1.698 3.570 . 0 0 "[ . 1 . ]" 1
284 1 43 ARG HG2 1 45 VAL MG1 6.000 . 7.500 7.192 6.836 7.549 0.049 16 0 "[ . 1 . ]" 1
285 1 43 ARG HG3 1 44 TYR H 3.500 . 4.200 4.237 4.132 4.302 0.102 16 0 "[ . 1 . ]" 1
286 1 43 ARG HG3 1 45 VAL MG1 6.000 . 7.500 5.920 5.495 6.276 . 0 0 "[ . 1 . ]" 1
287 1 44 TYR H 1 45 VAL H 3.500 . 4.200 3.488 3.355 3.621 . 0 0 "[ . 1 . ]" 1
288 1 44 TYR HA 1 45 VAL H 5.000 . 6.500 3.503 3.469 3.591 . 0 0 "[ . 1 . ]" 1
289 1 44 TYR HA 1 47 LEU H 2.700 . 3.200 3.392 3.355 3.500 0.300 16 0 "[ . 1 . ]" 1
290 1 44 TYR HA 1 47 LEU QB 3.500 . 4.000 3.357 2.084 4.110 0.110 4 0 "[ . 1 . ]" 1
291 1 44 TYR HA 1 47 LEU MD1 3.700 . 4.200 3.797 2.880 4.371 0.171 18 0 "[ . 1 . ]" 1
292 1 44 TYR HA 1 47 LEU MD2 3.700 . 4.200 1.964 1.635 2.265 . 0 0 "[ . 1 . ]" 1
293 1 44 TYR HA 1 58 ILE MD 6.000 . 7.500 6.281 5.334 7.624 0.124 12 0 "[ . 1 . ]" 1
294 1 44 TYR HB2 1 45 VAL MG1 3.700 . 4.200 4.372 4.337 4.421 0.221 8 0 "[ . 1 . ]" 1
295 1 44 TYR QD 1 45 VAL H 5.800 . 7.300 2.692 2.458 2.928 . 0 0 "[ . 1 . ]" 1
296 1 44 TYR QD 1 45 VAL HA 3.500 . 4.000 3.021 2.842 3.331 . 0 0 "[ . 1 . ]" 1
297 1 44 TYR QD 1 45 VAL MG1 4.500 . 5.000 3.292 3.208 3.367 . 0 0 "[ . 1 . ]" 1
298 1 44 TYR QD 1 45 VAL MG2 5.300 . 6.000 4.241 4.024 4.325 . 0 0 "[ . 1 . ]" 1
299 1 44 TYR QD 1 47 LEU MD2 5.300 . 6.000 3.238 2.767 3.825 . 0 0 "[ . 1 . ]" 1
300 1 44 TYR QD 1 56 ILE MG 4.500 . 5.000 3.436 2.966 4.650 . 0 0 "[ . 1 . ]" 1
301 1 44 TYR QD 1 58 ILE MD 6.800 . 8.300 3.924 2.845 5.282 . 0 0 "[ . 1 . ]" 1
302 1 44 TYR QD 1 58 ILE HG12 4.300 . 5.000 4.488 3.901 5.011 0.011 19 0 "[ . 1 . ]" 1
303 1 44 TYR QE 1 45 VAL HA 5.800 . 7.300 4.107 3.878 4.422 . 0 0 "[ . 1 . ]" 1
304 1 44 TYR QE 1 45 VAL MG1 4.500 . 5.000 5.055 4.989 5.128 0.128 13 0 "[ . 1 . ]" 1
305 1 44 TYR QE 1 45 VAL MG2 4.500 . 5.000 5.003 4.853 5.072 0.072 3 0 "[ . 1 . ]" 1
306 1 44 TYR QE 1 47 LEU MD2 6.800 . 8.300 4.581 3.939 5.103 . 0 0 "[ . 1 . ]" 1
307 1 44 TYR QE 1 56 ILE HB . . 5.000 4.431 3.501 5.011 0.011 12 0 "[ . 1 . ]" 1
308 1 44 TYR QE 1 56 ILE MG 4.500 . 5.000 2.687 2.119 4.650 . 0 0 "[ . 1 . ]" 1
309 1 44 TYR QE 1 58 ILE MD . . 6.000 2.994 1.270 4.778 . 0 0 "[ . 1 . ]" 1
310 1 44 TYR QE 1 58 ILE HG12 4.300 . 5.000 3.580 2.179 4.483 . 0 0 "[ . 1 . ]" 1
311 1 45 VAL H 1 46 GLU H 2.700 . 3.200 2.609 2.336 2.771 . 0 0 "[ . 1 . ]" 1
312 1 45 VAL H 1 49 LYS QD 5.800 . 7.300 5.821 5.455 6.273 . 0 0 "[ . 1 . ]" 1
313 1 45 VAL HA 1 46 GLU H 3.500 . 4.200 3.443 3.286 3.504 . 0 0 "[ . 1 . ]" 1
314 1 45 VAL HA 1 48 LYS H 5.000 . 6.500 3.277 2.853 3.571 . 0 0 "[ . 1 . ]" 1
315 1 45 VAL HA 1 48 LYS HD3 5.000 . 6.500 3.636 2.179 4.885 . 0 0 "[ . 1 . ]" 1
316 1 45 VAL HA 1 49 LYS QE 5.800 . 7.300 6.150 5.570 6.725 . 0 0 "[ . 1 . ]" 1
317 1 45 VAL MG1 1 46 GLU HA 4.500 . 5.200 3.986 3.810 4.184 . 0 0 "[ . 1 . ]" 1
318 1 45 VAL MG1 1 48 LYS H 6.000 . 7.500 5.011 4.860 5.098 . 0 0 "[ . 1 . ]" 1
319 1 45 VAL MG1 1 49 LYS QE 4.500 . 5.000 4.786 4.091 5.050 0.050 14 0 "[ . 1 . ]" 1
320 1 45 VAL MG2 1 48 LYS HD3 3.700 . 4.200 4.056 3.522 4.278 0.078 16 0 "[ . 1 . ]" 1
321 1 45 VAL MG2 1 49 LYS QB 6.800 . 8.300 3.487 3.286 3.859 . 0 0 "[ . 1 . ]" 1
322 1 45 VAL MG2 1 49 LYS QE . . 6.000 3.852 3.020 4.953 . 0 0 "[ . 1 . ]" 1
323 1 46 GLU H 1 50 ALA MB 5.800 . 7.300 5.600 5.490 5.731 . 0 0 "[ . 1 . ]" 1
324 1 46 GLU HA 1 49 LYS H 2.700 . 3.200 3.178 2.863 3.267 0.067 5 0 "[ . 1 . ]" 1
325 1 46 GLU HA 1 49 LYS QD 3.500 . 4.000 1.978 1.492 2.527 . 0 0 "[ . 1 . ]" 1
326 1 46 GLU HA 1 49 LYS QE 5.800 . 7.300 2.919 1.601 3.931 . 0 0 "[ . 1 . ]" 1
327 1 46 GLU HA 1 49 LYS HG2 2.700 . 3.200 2.075 1.853 2.320 . 0 0 "[ . 1 . ]" 1
328 1 46 GLU HA 1 49 LYS HG3 2.700 . 3.200 3.304 3.249 3.344 0.144 4 0 "[ . 1 . ]" 1
329 1 46 GLU HA 1 50 ALA MB 5.800 . 7.300 3.900 3.554 4.181 . 0 0 "[ . 1 . ]" 1
330 1 46 GLU HG2 1 91 THR MG 6.000 . 7.500 5.913 4.799 6.893 . 0 0 "[ . 1 . ]" 1
331 1 47 LEU H 1 48 LYS H 2.700 . 3.200 2.239 2.075 2.410 . 0 0 "[ . 1 . ]" 1
332 1 47 LEU H 1 56 ILE MG 4.500 . 5.200 5.264 5.049 5.394 0.194 18 0 "[ . 1 . ]" 1
333 1 47 LEU HA 1 50 ALA H 2.700 . 3.200 3.010 2.546 3.374 0.174 13 0 "[ . 1 . ]" 1
334 1 47 LEU HA 1 50 ALA MB 3.500 . 4.000 2.448 1.761 3.454 . 0 0 "[ . 1 . ]" 1
335 1 47 LEU HA 1 51 ASN HD22 5.000 . 6.500 4.760 4.234 5.483 . 0 0 "[ . 1 . ]" 1
336 1 47 LEU HA 1 56 ILE MD 3.700 . 4.200 4.247 4.029 4.385 0.185 6 0 "[ . 1 . ]" 1
337 1 47 LEU QB 1 48 LYS H 3.500 . 4.000 3.226 2.335 3.674 . 0 0 "[ . 1 . ]" 1
338 1 47 LEU MD1 1 48 LYS HA 3.700 . 4.200 3.848 2.928 4.311 0.111 3 0 "[ . 1 . ]" 1
339 1 47 LEU MD1 1 50 ALA MB 6.800 . 8.300 4.578 3.653 5.687 . 0 0 "[ . 1 . ]" 1
340 1 47 LEU MD1 1 51 ASN HD21 3.700 . 4.200 3.588 2.362 4.273 0.073 6 0 "[ . 1 . ]" 1
341 1 47 LEU MD1 1 51 ASN HD22 4.500 . 5.200 4.090 2.905 5.210 0.010 7 0 "[ . 1 . ]" 1
342 1 47 LEU MD1 1 54 LEU HG 6.000 . 7.500 4.684 2.720 6.006 . 0 0 "[ . 1 . ]" 1
343 1 47 LEU MD1 1 94 LEU H 6.000 . 7.500 6.190 5.126 7.413 . 0 0 "[ . 1 . ]" 1
344 1 47 LEU MD2 1 90 VAL MG2 4.700 . 5.200 4.111 3.618 4.671 . 0 0 "[ . 1 . ]" 1
345 1 47 LEU MD2 1 91 THR HA 4.500 . 5.200 4.592 4.017 5.228 0.028 2 0 "[ . 1 . ]" 1
346 1 47 LEU MD2 1 91 THR MG 7.000 . 8.500 2.422 1.882 3.283 . 0 0 "[ . 1 . ]" 1
347 1 48 LYS H 1 49 LYS H 2.700 . 3.200 2.524 2.373 2.626 . 0 0 "[ . 1 . ]" 1
348 1 48 LYS H 1 50 ALA H 3.500 . 4.200 3.793 3.499 4.022 . 0 0 "[ . 1 . ]" 1
349 1 48 LYS H 1 51 ASN H 5.000 . 6.500 4.818 4.594 5.099 . 0 0 "[ . 1 . ]" 1
350 1 48 LYS H 1 56 ILE MG 4.500 . 5.200 4.272 3.758 4.779 . 0 0 "[ . 1 . ]" 1
351 1 48 LYS HA 1 51 ASN H 3.500 . 4.200 3.979 3.599 4.211 0.011 9 0 "[ . 1 . ]" 1
352 1 48 LYS HA 1 56 ILE MD 4.500 . 5.200 2.020 1.309 2.876 . 0 0 "[ . 1 . ]" 1
353 1 48 LYS QG 1 49 LYS H 5.000 . 6.500 3.851 3.630 4.441 . 0 0 "[ . 1 . ]" 1
354 1 48 LYS QG 1 49 LYS HA 5.000 . 6.500 4.032 3.568 5.802 . 0 0 "[ . 1 . ]" 1
355 1 48 LYS QG 1 56 ILE MD 6.000 . 7.500 3.193 2.324 4.232 . 0 0 "[ . 1 . ]" 1
356 1 49 LYS H 1 50 ALA H 2.700 . 3.200 2.420 2.278 2.607 . 0 0 "[ . 1 . ]" 1
357 1 49 LYS H 1 51 ASN H 5.000 . 6.500 4.036 3.776 4.321 . 0 0 "[ . 1 . ]" 1
358 1 49 LYS HA 1 50 ALA H 3.500 . 4.200 3.532 3.453 3.645 . 0 0 "[ . 1 . ]" 1
359 1 49 LYS HA 1 50 ALA HA 5.000 . 6.500 4.533 4.318 4.686 . 0 0 "[ . 1 . ]" 1
360 1 49 LYS QB 1 50 ALA H 4.300 . 5.000 3.600 3.501 3.715 . 0 0 "[ . 1 . ]" 1
361 1 49 LYS QB 1 50 ALA MB 6.600 . 8.100 4.586 4.345 4.752 . 0 0 "[ . 1 . ]" 1
362 1 49 LYS HG2 1 50 ALA HA 2.700 . 3.200 3.336 3.290 3.373 0.173 18 0 "[ . 1 . ]" 1
363 1 50 ALA HA 1 51 ASN H 3.500 . 4.200 3.426 3.206 3.529 . 0 0 "[ . 1 . ]" 1
364 1 50 ALA MB 1 51 ASN H 3.500 . 4.000 2.848 2.448 3.368 . 0 0 "[ . 1 . ]" 1
365 1 50 ALA MB 1 51 ASN HD22 4.300 . 5.000 4.182 3.467 4.997 . 0 0 "[ . 1 . ]" 1
366 1 50 ALA MB 1 54 LEU HG 5.800 . 7.300 7.001 5.986 7.394 0.094 19 0 "[ . 1 . ]" 1
367 1 51 ASN H 1 52 PRO HD2 3.500 . 4.200 3.979 3.885 4.056 . 0 0 "[ . 1 . ]" 1
368 1 51 ASN H 1 52 PRO HD3 2.700 . 3.200 3.375 3.324 3.454 0.254 4 0 "[ . 1 . ]" 1
369 1 51 ASN H 1 54 LEU HB3 3.500 . 4.200 4.297 4.241 4.357 0.157 6 0 "[ . 1 . ]" 1
370 1 51 ASN HA 1 52 PRO HD2 . . 4.200 1.849 1.699 2.011 . 0 0 "[ . 1 . ]" 1
371 1 51 ASN HA 1 52 PRO HD3 . . 4.200 2.700 2.576 2.806 . 0 0 "[ . 1 . ]" 1
372 1 51 ASN HA 1 53 ASP H 5.000 . 6.500 3.893 3.213 4.347 . 0 0 "[ . 1 . ]" 1
373 1 51 ASN HB2 1 54 LEU H 3.500 . 4.200 4.212 4.051 4.302 0.102 13 0 "[ . 1 . ]" 1
374 1 51 ASN HB2 1 54 LEU HB3 3.500 . 4.200 2.189 2.008 2.373 . 0 0 "[ . 1 . ]" 1
375 1 51 ASN HB2 1 54 LEU MD1 6.000 . 7.500 2.525 1.949 4.307 . 0 0 "[ . 1 . ]" 1
376 1 51 ASN HB2 1 54 LEU HG 3.500 . 4.200 3.643 2.308 4.254 0.054 5 0 "[ . 1 . ]" 1
377 1 51 ASN HB2 1 56 ILE MD 3.700 . 4.200 3.155 2.751 3.780 . 0 0 "[ . 1 . ]" 1
378 1 51 ASN HD21 1 94 LEU HB2 2.700 . 3.200 3.323 3.277 3.399 0.199 11 0 "[ . 1 . ]" 1
379 1 51 ASN HD21 1 94 LEU MD2 3.700 . 4.200 3.330 2.899 4.282 0.082 15 0 "[ . 1 . ]" 1
380 1 51 ASN HD21 1 95 GLU H 5.000 . 6.500 3.939 3.445 4.689 . 0 0 "[ . 1 . ]" 1
381 1 51 ASN HD22 1 56 ILE MD 4.500 . 5.200 5.245 5.033 5.344 0.144 18 0 "[ . 1 . ]" 1
382 1 51 ASN HD22 1 94 LEU HB2 2.700 . 3.200 3.153 2.917 3.307 0.107 12 0 "[ . 1 . ]" 1
383 1 52 PRO HA 1 53 ASP H 2.700 . 3.200 3.335 3.278 3.363 0.163 10 0 "[ . 1 . ]" 1
384 1 52 PRO HA 1 54 LEU H 5.000 . 6.500 3.594 3.288 3.906 . 0 0 "[ . 1 . ]" 1
385 1 52 PRO HB3 1 53 ASP H 5.000 . 6.500 3.669 3.504 3.834 . 0 0 "[ . 1 . ]" 1
386 1 52 PRO HB3 1 53 ASP HB2 5.000 . 6.500 5.600 5.312 6.216 . 0 0 "[ . 1 . ]" 1
387 1 52 PRO HD2 1 53 ASP H 2.700 . 3.200 2.879 2.361 3.213 0.013 4 0 "[ . 1 . ]" 1
388 1 52 PRO HD3 1 53 ASP H 3.500 . 4.200 3.796 3.450 4.029 . 0 0 "[ . 1 . ]" 1
389 1 52 PRO HG2 1 53 ASP H 2.700 . 3.200 1.764 1.702 1.888 . 0 0 "[ . 1 . ]" 1
390 1 52 PRO HG3 1 53 ASP H 2.700 . 3.200 3.367 3.331 3.421 0.221 12 0 "[ . 1 . ]" 1
391 1 53 ASP H 1 54 LEU H 2.700 . 3.200 2.976 2.672 3.225 0.025 4 0 "[ . 1 . ]" 1
392 1 54 LEU H 1 55 PRO QD 5.800 . 7.300 3.601 3.431 3.874 . 0 0 "[ . 1 . ]" 1
393 1 54 LEU HA 1 55 PRO QD 3.500 . 4.000 2.125 2.069 2.205 . 0 0 "[ . 1 . ]" 1
394 1 54 LEU HA 1 98 LEU MD1 3.700 . 4.200 3.494 2.890 4.162 . 0 0 "[ . 1 . ]" 1
395 1 54 LEU HA 1 98 LEU MD2 6.000 . 7.500 4.306 3.585 5.620 . 0 0 "[ . 1 . ]" 1
396 1 54 LEU HB2 1 98 LEU HG 5.000 . 6.500 5.632 4.995 6.549 0.049 8 0 "[ . 1 . ]" 1
397 1 54 LEU MD2 1 55 PRO QD 5.300 . 6.000 3.054 2.315 4.916 . 0 0 "[ . 1 . ]" 1
398 1 54 LEU HG 1 98 LEU MD1 6.000 . 7.500 2.753 1.668 4.079 . 0 0 "[ . 1 . ]" 1
399 1 55 PRO HA 1 56 ILE H 2.700 . 3.200 2.077 2.020 2.176 . 0 0 "[ . 1 . ]" 1
400 1 55 PRO HA 1 57 LEU MD2 3.700 . 4.200 3.731 3.370 4.234 0.034 7 0 "[ . 1 . ]" 1
401 1 55 PRO HB3 1 56 ILE H 2.700 . 3.200 3.338 3.246 3.401 0.201 7 0 "[ . 1 . ]" 1
402 1 55 PRO HB3 1 57 LEU MD1 6.000 . 7.500 4.244 3.141 4.932 . 0 0 "[ . 1 . ]" 1
403 1 55 PRO HG3 1 57 LEU MD2 6.000 . 7.500 4.734 4.162 5.678 . 0 0 "[ . 1 . ]" 1
404 1 56 ILE H 1 57 LEU H 3.500 . 4.200 3.944 3.759 4.072 . 0 0 "[ . 1 . ]" 1
405 1 56 ILE H 1 57 LEU MD2 4.500 . 5.200 2.994 2.628 3.531 . 0 0 "[ . 1 . ]" 1
406 1 56 ILE HA 1 57 LEU H 2.700 . 3.200 2.209 2.012 2.332 . 0 0 "[ . 1 . ]" 1
407 1 56 ILE HA 1 57 LEU MD2 6.000 . 7.500 3.669 3.171 4.509 . 0 0 "[ . 1 . ]" 1
408 1 56 ILE QG 1 57 LEU H 6.000 . 7.500 4.629 4.082 4.989 . 0 0 "[ . 1 . ]" 1
409 1 57 LEU HA 1 58 ILE H 2.700 . 3.200 2.219 2.110 2.481 . 0 0 "[ . 1 . ]" 1
410 1 58 ILE H 1 59 ARG H 3.500 . 4.200 4.269 4.111 4.330 0.130 7 0 "[ . 1 . ]" 1
411 1 58 ILE HA 1 59 ARG H 2.700 . 3.200 2.052 1.991 2.104 . 0 0 "[ . 1 . ]" 1
412 1 58 ILE MG 1 59 ARG H 3.700 . 4.200 3.294 2.506 4.235 0.035 4 0 "[ . 1 . ]" 1
413 1 58 ILE MG 1 59 ARG HB3 6.000 . 7.500 5.623 5.019 6.372 . 0 0 "[ . 1 . ]" 1
414 1 59 ARG HA 1 60 GLU H 2.700 . 3.200 2.463 2.282 2.552 . 0 0 "[ . 1 . ]" 1
415 1 59 ARG HB2 1 60 GLU H 2.700 . 3.200 3.275 3.221 3.352 0.152 16 0 "[ . 1 . ]" 1
416 1 59 ARG HB3 1 60 GLU H 2.700 . 3.200 2.056 1.853 2.342 . 0 0 "[ . 1 . ]" 1
417 1 63 ASP H 1 65 GLN H 3.500 . 4.200 4.329 3.545 4.502 0.302 19 0 "[ . 1 . ]" 1
418 1 63 ASP H 1 67 LYS H 5.000 . 6.500 6.100 5.497 6.551 0.051 5 0 "[ . 1 . ]" 1
419 1 64 VAL H 1 65 GLN H 2.700 . 3.200 3.012 2.192 3.486 0.286 8 0 "[ . 1 . ]" 1
420 1 64 VAL HB 1 65 GLN H 2.700 . 3.200 2.396 1.811 3.458 0.258 12 0 "[ . 1 . ]" 1
421 1 64 VAL MG2 1 65 GLN H 4.500 . 5.200 3.588 1.404 4.032 . 0 0 "[ . 1 . ]" 1
422 1 64 VAL MG2 1 67 LYS HD3 6.000 . 7.500 5.432 3.137 6.234 . 0 0 "[ . 1 . ]" 1
423 1 64 VAL MG2 1 67 LYS HG3 6.000 . 7.500 5.394 3.787 6.445 . 0 0 "[ . 1 . ]" 1
424 1 64 VAL MG2 1 81 PRO HD2 6.000 . 7.500 6.053 4.501 7.182 . 0 0 "[ . 1 . ]" 1
425 1 65 GLN HA 1 66 PRO QD . . 4.000 3.620 3.561 3.655 . 0 0 "[ . 1 . ]" 1
426 1 65 GLN HA 1 67 LYS HD2 3.500 . 4.200 4.272 3.996 4.413 0.213 5 0 "[ . 1 . ]" 1
427 1 65 GLN HA 1 67 LYS HD3 3.500 . 4.200 4.188 3.972 4.278 0.078 14 0 "[ . 1 . ]" 1
428 1 65 GLN HB2 1 66 PRO QD 3.500 . 4.000 2.764 1.655 3.390 . 0 0 "[ . 1 . ]" 1
429 1 65 GLN HB3 1 66 PRO QD 3.500 . 4.000 1.749 1.441 2.605 . 0 0 "[ . 1 . ]" 1
430 1 65 GLN HB3 1 83 ASN HB3 5.000 . 6.500 6.375 5.785 6.569 0.069 17 0 "[ . 1 . ]" 1
431 1 65 GLN HE21 1 83 ASN HB2 5.000 . 6.500 6.058 4.576 6.548 0.048 14 0 "[ . 1 . ]" 1
432 1 66 PRO HA 1 67 LYS H 2.700 . 3.200 2.426 2.255 2.667 . 0 0 "[ . 1 . ]" 1
433 1 66 PRO HB3 1 67 LYS H 5.000 . 6.500 4.528 4.396 4.671 . 0 0 "[ . 1 . ]" 1
434 1 66 PRO HB3 1 82 LEU H 5.000 . 6.500 4.505 4.164 4.841 . 0 0 "[ . 1 . ]" 1
435 1 66 PRO HB3 1 82 LEU HB2 5.000 . 6.500 6.528 6.346 6.573 0.073 9 0 "[ . 1 . ]" 1
436 1 66 PRO HB3 1 82 LEU MD1 6.000 . 7.500 3.025 2.804 3.237 . 0 0 "[ . 1 . ]" 1
437 1 66 PRO QD 1 83 ASN H 5.800 . 7.300 3.860 3.257 4.401 . 0 0 "[ . 1 . ]" 1
438 1 66 PRO QD 1 83 ASN HA 5.800 . 7.300 4.290 3.464 4.901 . 0 0 "[ . 1 . ]" 1
439 1 66 PRO QD 1 83 ASN HB3 5.800 . 7.300 4.193 3.800 4.562 . 0 0 "[ . 1 . ]" 1
440 1 66 PRO HG2 1 83 ASN H 2.700 . 3.200 2.549 2.002 3.212 0.012 8 0 "[ . 1 . ]" 1
441 1 66 PRO HG2 1 83 ASN HA 2.700 . 3.200 2.700 2.018 3.252 0.052 19 0 "[ . 1 . ]" 1
442 1 66 PRO HG3 1 82 LEU MD1 3.700 . 4.200 3.850 3.261 4.243 0.043 7 0 "[ . 1 . ]" 1
443 1 66 PRO HG3 1 83 ASN HA . . 3.200 2.964 2.092 3.273 0.073 19 0 "[ . 1 . ]" 1
444 1 67 LYS H 1 82 LEU MD1 4.500 . 5.200 4.755 4.101 5.112 . 0 0 "[ . 1 . ]" 1
445 1 67 LYS HA 1 68 LEU H 2.700 . 3.200 2.137 2.048 2.259 . 0 0 "[ . 1 . ]" 1
446 1 67 LYS HA 1 68 LEU MD1 6.000 . 7.500 5.231 4.510 5.527 . 0 0 "[ . 1 . ]" 1
447 1 67 LYS HA 1 81 PRO HA . . 3.200 2.384 2.107 2.629 . 0 0 "[ . 1 . ]" 1
448 1 67 LYS HA 1 81 PRO HD2 3.500 . 4.200 4.333 4.286 4.371 0.171 8 0 "[ . 1 . ]" 1
449 1 67 LYS HA 1 81 PRO HD3 3.500 . 4.200 3.355 3.202 3.457 . 0 0 "[ . 1 . ]" 1
450 1 67 LYS HA 1 82 LEU H 3.500 . 4.200 3.058 2.902 3.349 . 0 0 "[ . 1 . ]" 1
451 1 67 LYS HA 1 82 LEU HB3 3.500 . 4.200 4.398 4.346 4.505 0.305 10 0 "[ . 1 . ]" 1
452 1 67 LYS HA 1 82 LEU MD1 . . 5.200 4.483 4.065 4.739 . 0 0 "[ . 1 . ]" 1
453 1 67 LYS HA 1 82 LEU HG . . 3.200 3.299 3.105 3.394 0.194 14 0 "[ . 1 . ]" 1
454 1 67 LYS HB2 1 81 PRO HA 5.000 . 6.500 4.916 4.711 5.221 . 0 0 "[ . 1 . ]" 1
455 1 67 LYS HB3 1 68 LEU H 2.700 . 3.200 2.750 2.514 3.024 . 0 0 "[ . 1 . ]" 1
456 1 67 LYS HB3 1 81 PRO HA 5.000 . 6.500 4.461 4.168 4.762 . 0 0 "[ . 1 . ]" 1
457 1 67 LYS HD3 1 81 PRO HD3 3.500 . 4.200 4.292 4.268 4.332 0.132 7 0 "[ . 1 . ]" 1
458 1 68 LEU H 1 79 ASN HA 5.000 . 6.500 3.859 3.650 4.205 . 0 0 "[ . 1 . ]" 1
459 1 68 LEU H 1 80 VAL H 3.500 . 4.200 2.001 1.887 2.358 . 0 0 "[ . 1 . ]" 1
460 1 68 LEU H 1 80 VAL HB 3.500 . 4.200 4.427 4.365 4.497 0.297 8 0 "[ . 1 . ]" 1
461 1 68 LEU H 1 81 PRO HA 5.000 . 6.500 4.157 3.995 4.318 . 0 0 "[ . 1 . ]" 1
462 1 68 LEU H 1 82 LEU H 3.500 . 4.200 4.200 4.077 4.262 0.062 19 0 "[ . 1 . ]" 1
463 1 68 LEU H 1 82 LEU MD1 4.500 . 5.200 5.023 4.528 5.324 0.124 8 0 "[ . 1 . ]" 1
464 1 68 LEU H 1 82 LEU MD2 3.700 . 4.200 3.730 3.398 4.085 . 0 0 "[ . 1 . ]" 1
465 1 68 LEU HA 1 69 TRP H 2.700 . 3.200 2.268 2.035 2.371 . 0 0 "[ . 1 . ]" 1
466 1 68 LEU HA 1 80 VAL MG1 6.000 . 7.500 4.975 4.698 5.231 . 0 0 "[ . 1 . ]" 1
467 1 68 LEU HB2 1 78 THR MG 4.500 . 5.200 4.261 3.517 4.891 . 0 0 "[ . 1 . ]" 1
468 1 68 LEU HB2 1 80 VAL H 2.700 . 3.200 3.383 3.065 3.440 0.240 15 0 "[ . 1 . ]" 1
469 1 68 LEU HB2 1 80 VAL HB 5.000 . 6.500 5.631 5.100 5.831 . 0 0 "[ . 1 . ]" 1
470 1 68 LEU HB2 1 80 VAL MG1 . . 4.200 3.226 2.606 3.556 . 0 0 "[ . 1 . ]" 1
471 1 68 LEU HB2 1 82 LEU MD2 3.700 . 4.200 2.156 1.704 4.225 0.025 8 0 "[ . 1 . ]" 1
472 1 68 LEU HB3 1 69 TRP H 3.500 . 4.200 4.024 3.496 4.206 0.006 19 0 "[ . 1 . ]" 1
473 1 68 LEU HB3 1 78 THR MG . . 5.200 3.155 2.504 4.189 . 0 0 "[ . 1 . ]" 1
474 1 68 LEU HB3 1 80 VAL HB 5.000 . 6.500 5.313 4.730 6.514 0.014 8 0 "[ . 1 . ]" 1
475 1 68 LEU HB3 1 80 VAL MG1 3.700 . 4.200 2.985 2.370 4.073 . 0 0 "[ . 1 . ]" 1
476 1 68 LEU HB3 1 82 LEU MD2 6.000 . 7.500 3.473 3.197 4.589 . 0 0 "[ . 1 . ]" 1
477 1 68 LEU MD1 1 69 TRP H 4.500 . 5.200 3.200 2.831 3.635 . 0 0 "[ . 1 . ]" 1
478 1 68 LEU MD2 1 90 VAL MG2 4.700 . 5.200 5.054 4.189 5.276 0.076 19 0 "[ . 1 . ]" 1
479 1 68 LEU HG 1 90 VAL MG2 6.000 . 7.500 7.034 5.090 7.592 0.092 15 0 "[ . 1 . ]" 1
480 1 69 TRP HA 1 70 ALA H 2.700 . 3.200 2.132 2.029 2.208 . 0 0 "[ . 1 . ]" 1
481 1 69 TRP HA 1 70 ALA MB 5.800 . 7.300 3.924 3.869 3.972 . 0 0 "[ . 1 . ]" 1
482 1 69 TRP HA 1 78 THR H 3.500 . 4.200 4.263 4.207 4.353 0.153 15 0 "[ . 1 . ]" 1
483 1 69 TRP HA 1 79 ASN HA 2.700 . 3.200 1.899 1.724 2.050 . 0 0 "[ . 1 . ]" 1
484 1 69 TRP HA 1 80 VAL H 2.700 . 3.200 3.446 3.384 3.489 0.289 13 0 "[ . 1 . ]" 1
485 1 69 TRP HB2 1 70 ALA H 5.000 . 6.500 4.028 3.912 4.195 . 0 0 "[ . 1 . ]" 1
486 1 69 TRP HB3 1 70 ALA H 5.000 . 6.500 4.245 4.159 4.360 . 0 0 "[ . 1 . ]" 1
487 1 69 TRP HE1 1 71 ARG QG 3.500 . 4.200 4.152 3.805 4.229 0.029 4 0 "[ . 1 . ]" 1
488 1 69 TRP HH2 1 71 ARG HB2 5.000 . 6.500 4.445 4.144 4.727 . 0 0 "[ . 1 . ]" 1
489 1 69 TRP HH2 1 71 ARG HD2 2.700 . 3.200 3.291 3.269 3.314 0.114 17 0 "[ . 1 . ]" 1
490 1 69 TRP HH2 1 71 ARG HD3 2.700 . 3.200 3.203 2.832 3.243 0.043 4 0 "[ . 1 . ]" 1
491 1 69 TRP HH2 1 79 ASN HD21 . . 3.200 3.436 3.389 3.537 0.337 10 0 "[ . 1 . ]" 1
492 1 69 TRP HZ2 1 71 ARG HB2 5.000 . 6.500 2.496 2.076 2.731 . 0 0 "[ . 1 . ]" 1
493 1 69 TRP HZ2 1 71 ARG HD2 5.000 . 6.500 2.756 2.534 3.037 . 0 0 "[ . 1 . ]" 1
494 1 70 ALA H 1 71 ARG H 5.000 . 6.500 4.282 4.195 4.367 . 0 0 "[ . 1 . ]" 1
495 1 70 ALA H 1 77 GLU HA 5.000 . 6.500 4.523 4.323 4.794 . 0 0 "[ . 1 . ]" 1
496 1 70 ALA H 1 78 THR H 3.500 . 4.200 2.758 2.614 3.009 . 0 0 "[ . 1 . ]" 1
497 1 70 ALA H 1 78 THR HA 5.000 . 6.500 4.479 4.263 4.677 . 0 0 "[ . 1 . ]" 1
498 1 70 ALA H 1 78 THR HB 5.000 . 6.500 3.900 2.620 5.050 . 0 0 "[ . 1 . ]" 1
499 1 70 ALA H 1 79 ASN HA 5.000 . 6.500 3.349 3.140 3.529 . 0 0 "[ . 1 . ]" 1
500 1 70 ALA HA 1 71 ARG H 2.700 . 3.200 2.229 2.170 2.301 . 0 0 "[ . 1 . ]" 1
501 1 70 ALA HA 1 78 THR MG 3.700 . 4.200 4.253 4.059 4.352 0.152 15 0 "[ . 1 . ]" 1
502 1 70 ALA MB 1 71 ARG H 4.300 . 5.000 2.949 2.784 3.051 . 0 0 "[ . 1 . ]" 1
503 1 70 ALA MB 1 72 TYR QE 4.300 . 4.800 2.724 1.803 2.925 . 0 0 "[ . 1 . ]" 1
504 1 70 ALA MB 1 78 THR H 4.300 . 5.000 3.193 2.978 3.413 . 0 0 "[ . 1 . ]" 1
505 1 70 ALA MB 1 78 THR HB 3.500 . 4.000 2.518 1.264 3.997 . 0 0 "[ . 1 . ]" 1
506 1 71 ARG H 1 72 TYR H 2.700 . 3.200 3.440 3.376 3.497 0.297 7 0 "[ . 1 . ]" 1
507 1 71 ARG HA 1 72 TYR H 2.700 . 3.200 1.898 1.827 1.972 . 0 0 "[ . 1 . ]" 1
508 1 71 ARG HA 1 77 GLU HA . . 4.200 2.360 2.125 2.921 . 0 0 "[ . 1 . ]" 1
509 1 71 ARG HA 1 78 THR H 3.500 . 4.200 3.891 3.645 4.011 . 0 0 "[ . 1 . ]" 1
510 1 71 ARG QG 1 72 TYR H 2.700 . 3.200 3.253 3.229 3.279 0.079 4 0 "[ . 1 . ]" 1
511 1 72 TYR H 1 75 GLY H 5.000 . 6.500 4.328 3.932 4.769 . 0 0 "[ . 1 . ]" 1
512 1 72 TYR H 1 76 GLN H 3.500 . 4.200 3.665 2.997 4.209 0.009 16 0 "[ . 1 . ]" 1
513 1 72 TYR H 1 77 GLU HA 5.000 . 6.500 3.184 2.811 3.993 . 0 0 "[ . 1 . ]" 1
514 1 72 TYR HA 1 73 ALA H 3.500 . 4.200 2.471 2.349 2.592 . 0 0 "[ . 1 . ]" 1
515 1 72 TYR HA 1 99 SER HA 5.000 . 6.500 6.700 6.579 6.790 0.290 11 0 "[ . 1 . ]" 1
516 1 72 TYR HB2 1 73 ALA H 3.500 . 4.200 3.418 3.154 3.663 . 0 0 "[ . 1 . ]" 1
517 1 72 TYR HB2 1 76 GLN H 5.000 . 6.500 2.464 1.996 2.916 . 0 0 "[ . 1 . ]" 1
518 1 72 TYR HB2 1 76 GLN QB 5.800 . 7.300 3.149 2.637 3.788 . 0 0 "[ . 1 . ]" 1
519 1 72 TYR HB3 1 73 ALA H 3.500 . 4.200 2.533 2.262 2.970 . 0 0 "[ . 1 . ]" 1
520 1 72 TYR HB3 1 76 GLN H 5.000 . 6.500 4.132 3.595 4.651 . 0 0 "[ . 1 . ]" 1
521 1 72 TYR HB3 1 76 GLN QB 5.800 . 7.300 4.469 3.993 5.014 . 0 0 "[ . 1 . ]" 1
522 1 72 TYR HB3 1 102 ALA MB 5.800 . 7.300 4.192 2.773 6.418 . 0 0 "[ . 1 . ]" 1
523 1 72 TYR QD 1 73 ALA H 4.300 . 5.000 4.160 3.924 4.698 . 0 0 "[ . 1 . ]" 1
524 1 72 TYR QD 1 76 GLN QB 6.600 . 8.100 1.934 1.467 2.556 . 0 0 "[ . 1 . ]" 1
525 1 72 TYR QD 1 77 GLU HA 5.800 . 7.300 3.646 2.652 4.494 . 0 0 "[ . 1 . ]" 1
526 1 72 TYR QD 1 78 THR HB 5.800 . 7.300 4.915 4.200 5.894 . 0 0 "[ . 1 . ]" 1
527 1 72 TYR QD 1 98 LEU HG 4.300 . 5.000 5.003 4.853 5.100 0.100 8 0 "[ . 1 . ]" 1
528 1 72 TYR QD 1 102 ALA MB 6.600 . 8.100 3.215 2.643 4.713 . 0 0 "[ . 1 . ]" 1
529 1 72 TYR QE 1 76 GLN HE21 5.800 . 7.300 5.144 3.137 6.451 . 0 0 "[ . 1 . ]" 1
530 1 72 TYR QE 1 76 GLN HE22 5.800 . 7.300 5.702 4.102 7.324 0.024 4 0 "[ . 1 . ]" 1
531 1 72 TYR QE 1 78 THR H 4.300 . 5.000 4.480 3.865 5.018 0.018 13 0 "[ . 1 . ]" 1
532 1 72 TYR QE 1 78 THR HB 5.800 . 7.300 3.135 2.375 3.861 . 0 0 "[ . 1 . ]" 1
533 1 72 TYR QE 1 78 THR MG 4.500 . 5.000 3.464 2.472 4.056 . 0 0 "[ . 1 . ]" 1
534 1 72 TYR QE 1 97 VAL HB 5.800 . 7.300 3.564 2.891 5.468 . 0 0 "[ . 1 . ]" 1
535 1 72 TYR QE 1 97 VAL MG2 4.500 . 5.000 3.098 2.684 4.215 . 0 0 "[ . 1 . ]" 1
536 1 72 TYR QE 1 98 LEU HA . . 5.000 2.345 1.800 3.747 . 0 0 "[ . 1 . ]" 1
537 1 72 TYR QE 1 98 LEU HB3 4.300 . 5.000 1.644 1.403 2.028 . 0 0 "[ . 1 . ]" 1
538 1 72 TYR QE 1 98 LEU HG 3.500 . 4.000 3.926 3.749 4.113 0.113 13 0 "[ . 1 . ]" 1
539 1 73 ALA H 1 74 PHE H 3.500 . 4.200 2.260 2.092 2.578 . 0 0 "[ . 1 . ]" 1
540 1 73 ALA HA 1 75 GLY H 5.000 . 6.500 2.840 2.541 3.192 . 0 0 "[ . 1 . ]" 1
541 1 73 ALA HA 1 75 GLY HA3 3.500 . 4.200 4.418 4.385 4.446 0.246 14 0 "[ . 1 . ]" 1
542 1 73 ALA MB 1 74 PHE HA 5.000 . 6.500 4.221 4.092 4.320 . 0 0 "[ . 1 . ]" 1
543 1 73 ALA MB 1 74 PHE QD 5.800 . 7.300 4.754 4.176 5.761 . 0 0 "[ . 1 . ]" 1
544 1 74 PHE HA 1 75 GLY H 3.500 . 4.200 3.338 3.199 3.417 . 0 0 "[ . 1 . ]" 1
545 1 74 PHE HB2 1 75 GLY H 3.500 . 4.200 3.279 2.810 4.009 . 0 0 "[ . 1 . ]" 1
546 1 74 PHE HB2 1 76 GLN HE21 5.000 . 6.500 3.822 2.088 6.177 . 0 0 "[ . 1 . ]" 1
547 1 74 PHE HB3 1 75 GLY H 3.500 . 4.200 3.855 2.783 4.217 0.017 14 0 "[ . 1 . ]" 1
548 1 74 PHE QD 1 76 GLN H 5.800 . 7.300 4.368 3.154 5.145 . 0 0 "[ . 1 . ]" 1
549 1 74 PHE QD 1 102 ALA MB 5.100 . 5.800 3.801 2.507 5.766 . 0 0 "[ . 1 . ]" 1
550 1 75 GLY H 1 76 GLN H 3.500 . 4.200 2.408 2.188 2.627 . 0 0 "[ . 1 . ]" 1
551 1 75 GLY HA2 1 76 GLN H 5.000 . 6.500 2.933 2.511 3.316 . 0 0 "[ . 1 . ]" 1
552 1 76 GLN HA 1 77 GLU H 2.700 . 3.200 2.424 2.167 2.551 . 0 0 "[ . 1 . ]" 1
553 1 76 GLN QB 1 77 GLU H 3.500 . 4.000 2.492 2.230 3.689 . 0 0 "[ . 1 . ]" 1
554 1 76 GLN QB 1 101 LYS QD 6.600 . 8.100 7.311 5.324 8.194 0.094 12 0 "[ . 1 . ]" 1
555 1 76 GLN QG 1 77 GLU H 3.500 . 4.200 3.778 2.664 4.089 . 0 0 "[ . 1 . ]" 1
556 1 77 GLU H 1 78 THR H 5.000 . 6.500 4.380 4.299 4.472 . 0 0 "[ . 1 . ]" 1
557 1 77 GLU HA 1 78 THR H 2.700 . 3.200 2.392 2.109 2.489 . 0 0 "[ . 1 . ]" 1
558 1 77 GLU QB 1 78 THR H 4.300 . 5.000 2.409 2.185 3.763 . 0 0 "[ . 1 . ]" 1
559 1 77 GLU HG2 1 78 THR H 2.700 . 3.200 3.245 3.146 3.336 0.136 1 0 "[ . 1 . ]" 1
560 1 78 THR HA 1 79 ASN H 2.700 . 3.200 2.197 2.094 2.333 . 0 0 "[ . 1 . ]" 1
561 1 78 THR HB 1 79 ASN H 3.500 . 4.200 4.184 4.009 4.271 0.071 3 0 "[ . 1 . ]" 1
562 1 78 THR MG 1 79 ASN H 4.500 . 5.200 3.062 2.676 3.573 . 0 0 "[ . 1 . ]" 1
563 1 78 THR MG 1 97 VAL MG2 7.000 . 8.500 3.938 3.396 4.719 . 0 0 "[ . 1 . ]" 1
564 1 79 ASN H 1 80 VAL H 5.000 . 6.500 3.692 3.584 3.920 . 0 0 "[ . 1 . ]" 1
565 1 79 ASN H 1 80 VAL MG1 3.700 . 4.200 3.156 2.756 3.537 . 0 0 "[ . 1 . ]" 1
566 1 79 ASN HA 1 80 VAL H 2.700 . 3.200 2.186 2.091 2.290 . 0 0 "[ . 1 . ]" 1
567 1 79 ASN HA 1 80 VAL MG2 6.000 . 7.500 5.477 5.399 5.553 . 0 0 "[ . 1 . ]" 1
568 1 79 ASN HB3 1 80 VAL H 5.000 . 6.500 4.417 4.293 4.482 . 0 0 "[ . 1 . ]" 1
569 1 80 VAL H 1 81 PRO HD2 5.000 . 6.500 4.891 4.718 4.996 . 0 0 "[ . 1 . ]" 1
570 1 80 VAL HA 1 81 PRO HD2 2.700 . 3.200 2.091 1.906 2.225 . 0 0 "[ . 1 . ]" 1
571 1 80 VAL HA 1 81 PRO HD3 2.700 . 3.200 1.707 1.627 1.828 . 0 0 "[ . 1 . ]" 1
572 1 80 VAL HB 1 81 PRO HD2 . . 4.200 3.111 2.856 3.277 . 0 0 "[ . 1 . ]" 1
573 1 80 VAL HB 1 81 PRO HD3 . . 3.200 3.495 3.465 3.521 0.321 14 0 "[ . 1 . ]" 1
574 1 80 VAL MG1 1 82 LEU MD2 4.700 . 5.200 4.224 3.000 5.181 . 0 0 "[ . 1 . ]" 1
575 1 80 VAL MG2 1 81 PRO HD2 4.500 . 5.200 1.805 1.689 1.929 . 0 0 "[ . 1 . ]" 1
576 1 81 PRO HA 1 82 LEU H 2.700 . 3.200 1.947 1.878 2.025 . 0 0 "[ . 1 . ]" 1
577 1 81 PRO HA 1 83 ASN H 2.700 . 3.200 3.286 3.247 3.344 0.144 10 0 "[ . 1 . ]" 1
578 1 81 PRO HB2 1 83 ASN H 3.500 . 4.200 3.721 3.356 3.989 . 0 0 "[ . 1 . ]" 1
579 1 81 PRO HB3 1 83 ASN H 5.000 . 6.500 3.496 3.075 3.825 . 0 0 "[ . 1 . ]" 1
580 1 82 LEU H 1 83 ASN H 3.500 . 4.200 2.550 2.318 2.702 . 0 0 "[ . 1 . ]" 1
581 1 82 LEU H 1 83 ASN HD21 5.000 . 6.500 6.402 5.849 6.607 0.107 15 0 "[ . 1 . ]" 1
582 1 82 LEU H 1 85 PHE H 5.000 . 6.500 5.933 5.602 6.267 . 0 0 "[ . 1 . ]" 1
583 1 82 LEU HA 1 83 ASN H 3.500 . 4.200 2.815 2.623 2.988 . 0 0 "[ . 1 . ]" 1
584 1 82 LEU HA 1 85 PHE QD 5.800 . 7.300 2.787 2.339 3.371 . 0 0 "[ . 1 . ]" 1
585 1 82 LEU HA 1 85 PHE QE . . 4.000 3.194 2.786 3.631 . 0 0 "[ . 1 . ]" 1
586 1 82 LEU HA 1 90 VAL MG1 6.000 . 7.500 4.481 3.929 5.060 . 0 0 "[ . 1 . ]" 1
587 1 82 LEU HB2 1 83 ASN H 5.000 . 6.500 4.464 4.415 4.527 . 0 0 "[ . 1 . ]" 1
588 1 82 LEU HB2 1 90 VAL MG1 3.700 . 4.200 2.634 2.122 3.241 . 0 0 "[ . 1 . ]" 1
589 1 82 LEU HB3 1 85 PHE H 5.000 . 6.500 5.810 5.356 6.394 . 0 0 "[ . 1 . ]" 1
590 1 82 LEU HB3 1 85 PHE QD 3.500 . 4.000 3.795 3.369 4.023 0.023 19 0 "[ . 1 . ]" 1
591 1 82 LEU HB3 1 90 VAL MG1 6.000 . 7.500 4.066 3.586 4.565 . 0 0 "[ . 1 . ]" 1
592 1 82 LEU MD1 1 90 VAL MG2 . . 5.200 3.440 3.172 3.833 . 0 0 "[ . 1 . ]" 1
593 1 82 LEU MD2 1 85 PHE QD 4.500 . 5.000 4.245 3.541 4.662 . 0 0 "[ . 1 . ]" 1
594 1 82 LEU MD2 1 85 PHE QE . . 6.000 5.281 4.335 5.930 . 0 0 "[ . 1 . ]" 1
595 1 82 LEU MD2 1 90 VAL HA 3.700 . 4.200 4.064 3.354 4.255 0.055 2 0 "[ . 1 . ]" 1
596 1 82 LEU MD2 1 90 VAL MG1 4.700 . 5.200 2.479 2.173 2.867 . 0 0 "[ . 1 . ]" 1
597 1 82 LEU MD2 1 90 VAL MG2 5.500 . 6.200 3.572 3.149 4.195 . 0 0 "[ . 1 . ]" 1
598 1 82 LEU MD2 1 93 ALA MB 5.300 . 6.000 4.943 3.653 5.899 . 0 0 "[ . 1 . ]" 1
599 1 83 ASN H 1 84 ASN H 3.500 . 4.200 2.805 2.462 3.048 . 0 0 "[ . 1 . ]" 1
600 1 83 ASN H 1 84 ASN QB 5.800 . 7.300 4.783 4.130 5.203 . 0 0 "[ . 1 . ]" 1
601 1 83 ASN H 1 84 ASN HD21 5.000 . 6.500 5.422 3.934 6.599 0.099 13 0 "[ . 1 . ]" 1
602 1 83 ASN H 1 85 PHE H 5.000 . 6.500 4.562 4.215 4.905 . 0 0 "[ . 1 . ]" 1
603 1 83 ASN HA 1 84 ASN H 2.700 . 3.200 3.336 3.274 3.381 0.181 9 0 "[ . 1 . ]" 1
604 1 83 ASN HA 1 84 ASN HA 5.000 . 6.500 4.626 4.485 4.770 . 0 0 "[ . 1 . ]" 1
605 1 83 ASN HA 1 85 PHE H 5.000 . 6.500 3.852 3.401 4.169 . 0 0 "[ . 1 . ]" 1
606 1 83 ASN HB2 1 84 ASN H 5.000 . 6.500 4.103 3.845 4.369 . 0 0 "[ . 1 . ]" 1
607 1 83 ASN HB3 1 84 ASN H 5.000 . 6.500 3.038 2.664 3.474 . 0 0 "[ . 1 . ]" 1
608 1 84 ASN H 1 85 PHE H 3.500 . 4.200 2.692 2.404 3.015 . 0 0 "[ . 1 . ]" 1
609 1 84 ASN H 1 85 PHE HA 5.000 . 6.500 5.135 4.964 5.313 . 0 0 "[ . 1 . ]" 1
610 1 84 ASN QB 1 85 PHE H 3.500 . 4.000 3.488 2.931 3.781 . 0 0 "[ . 1 . ]" 1
611 1 84 ASN QB 1 85 PHE QD 4.300 . 4.800 3.825 3.232 4.797 . 0 0 "[ . 1 . ]" 1
612 1 85 PHE H 1 86 SER H 3.500 . 4.200 4.293 4.249 4.325 0.125 18 0 "[ . 1 . ]" 1
613 1 85 PHE H 1 90 VAL MG1 6.000 . 7.500 3.580 3.312 4.171 . 0 0 "[ . 1 . ]" 1
614 1 85 PHE HA 1 86 SER H 2.700 . 3.200 2.238 1.990 2.728 . 0 0 "[ . 1 . ]" 1
615 1 85 PHE HA 1 86 SER HB2 3.500 . 4.200 4.234 4.069 4.294 0.094 19 0 "[ . 1 . ]" 1
616 1 85 PHE HA 1 89 GLN HE21 5.000 . 6.500 4.888 3.557 5.544 . 0 0 "[ . 1 . ]" 1
617 1 85 PHE HB2 1 86 SER H 3.500 . 4.200 3.503 2.759 3.974 . 0 0 "[ . 1 . ]" 1
618 1 85 PHE HB2 1 90 VAL H 5.000 . 6.500 3.944 3.531 4.618 . 0 0 "[ . 1 . ]" 1
619 1 85 PHE HB2 1 90 VAL MG1 . . 4.200 1.858 1.716 2.183 . 0 0 "[ . 1 . ]" 1
620 1 85 PHE HB3 1 86 SER H 2.700 . 3.200 2.456 1.651 3.030 . 0 0 "[ . 1 . ]" 1
621 1 85 PHE HB3 1 89 GLN HE21 3.500 . 4.200 3.773 1.812 4.287 0.087 19 0 "[ . 1 . ]" 1
622 1 85 PHE HB3 1 90 VAL MG1 . . 4.200 2.521 2.193 2.849 . 0 0 "[ . 1 . ]" 1
623 1 85 PHE QD 1 86 SER H 4.300 . 5.000 3.787 3.534 4.070 . 0 0 "[ . 1 . ]" 1
624 1 85 PHE QD 1 89 GLN HE21 4.300 . 5.000 2.819 1.867 3.643 . 0 0 "[ . 1 . ]" 1
625 1 85 PHE QD 1 89 GLN HE22 5.800 . 7.300 3.924 2.232 4.796 . 0 0 "[ . 1 . ]" 1
626 1 85 PHE QD 1 90 VAL H 5.800 . 7.300 4.950 4.468 5.596 . 0 0 "[ . 1 . ]" 1
627 1 85 PHE QD 1 90 VAL HA . . 5.000 4.380 3.751 5.010 0.010 16 0 "[ . 1 . ]" 1
628 1 85 PHE QD 1 90 VAL HB 5.800 . 7.300 5.307 4.737 5.736 . 0 0 "[ . 1 . ]" 1
629 1 85 PHE QD 1 90 VAL MG1 . . 6.000 2.991 2.644 3.426 . 0 0 "[ . 1 . ]" 1
630 1 85 PHE QD 1 93 ALA MB 6.600 . 8.100 4.024 3.416 4.749 . 0 0 "[ . 1 . ]" 1
631 1 85 PHE QE 1 93 ALA MB . . 5.800 4.083 3.276 5.185 . 0 0 "[ . 1 . ]" 1
632 1 86 SER H 1 87 ALA H 5.000 . 6.500 4.476 4.221 4.617 . 0 0 "[ . 1 . ]" 1
633 1 86 SER H 1 89 GLN H 5.000 . 6.500 4.067 3.341 4.759 . 0 0 "[ . 1 . ]" 1
634 1 86 SER H 1 89 GLN HA 5.000 . 6.500 5.168 4.553 5.752 . 0 0 "[ . 1 . ]" 1
635 1 86 SER H 1 89 GLN HE22 5.000 . 6.500 6.063 4.284 6.548 0.048 18 0 "[ . 1 . ]" 1
636 1 86 SER HA 1 87 ALA H 2.700 . 3.200 2.629 2.465 2.779 . 0 0 "[ . 1 . ]" 1
637 1 86 SER HB2 1 89 GLN H 5.000 . 6.500 4.190 2.882 5.216 . 0 0 "[ . 1 . ]" 1
638 1 86 SER HB3 1 87 ALA H 2.700 . 3.200 2.712 2.098 3.273 0.073 3 0 "[ . 1 . ]" 1
639 1 86 SER HB3 1 89 GLN H 3.500 . 4.200 3.721 3.094 4.240 0.040 11 0 "[ . 1 . ]" 1
640 1 87 ALA H 1 88 ASP H 3.500 . 4.200 3.073 2.932 3.270 . 0 0 "[ . 1 . ]" 1
641 1 87 ALA HA 1 90 VAL H 3.500 . 4.200 4.056 3.884 4.185 . 0 0 "[ . 1 . ]" 1
642 1 87 ALA HA 1 90 VAL HB 5.000 . 6.500 5.450 5.234 5.606 . 0 0 "[ . 1 . ]" 1
643 1 87 ALA HA 1 90 VAL MG1 . . 4.200 4.180 3.933 4.259 0.059 7 0 "[ . 1 . ]" 1
644 1 87 ALA HA 1 91 THR H 5.000 . 6.500 4.460 4.278 4.573 . 0 0 "[ . 1 . ]" 1
645 1 87 ALA HA 1 91 THR MG 4.500 . 5.200 4.102 3.772 4.343 . 0 0 "[ . 1 . ]" 1
646 1 87 ALA MB 1 88 ASP H 4.300 . 5.000 2.067 1.871 2.248 . 0 0 "[ . 1 . ]" 1
647 1 87 ALA MB 1 88 ASP HA 4.300 . 5.000 3.679 3.584 3.793 . 0 0 "[ . 1 . ]" 1
648 1 88 ASP H 1 89 GLN H 3.500 . 4.200 2.475 2.294 2.674 . 0 0 "[ . 1 . ]" 1
649 1 88 ASP HB2 1 89 GLN H 2.700 . 3.200 2.888 2.349 3.397 0.197 5 0 "[ . 1 . ]" 1
650 1 89 GLN H 1 90 VAL H 2.700 . 3.200 2.863 2.570 3.115 . 0 0 "[ . 1 . ]" 1
651 1 89 GLN HA 1 92 ARG QB 3.500 . 4.000 2.916 2.283 3.474 . 0 0 "[ . 1 . ]" 1
652 1 89 GLN HA 1 93 ALA H 2.700 . 3.200 3.341 3.284 3.416 0.216 12 0 "[ . 1 . ]" 1
653 1 89 GLN HE22 1 92 ARG H 5.000 . 6.500 6.378 5.487 6.609 0.109 6 0 "[ . 1 . ]" 1
654 1 89 GLN QG 1 93 ALA MB 5.800 . 7.300 4.632 3.059 5.381 . 0 0 "[ . 1 . ]" 1
655 1 90 VAL H 1 91 THR H 2.700 . 3.200 2.772 2.657 2.874 . 0 0 "[ . 1 . ]" 1
656 1 90 VAL H 1 92 ARG H 5.000 . 6.500 4.304 4.022 4.516 . 0 0 "[ . 1 . ]" 1
657 1 90 VAL HA 1 91 THR H 3.500 . 4.200 3.555 3.520 3.579 . 0 0 "[ . 1 . ]" 1
658 1 90 VAL HA 1 93 ALA H 5.000 . 6.500 3.625 3.388 3.968 . 0 0 "[ . 1 . ]" 1
659 1 90 VAL HA 1 93 ALA MB . . 5.000 2.607 2.294 3.033 . 0 0 "[ . 1 . ]" 1
660 1 90 VAL HB 1 91 THR H 3.500 . 4.200 3.744 3.661 3.841 . 0 0 "[ . 1 . ]" 1
661 1 90 VAL MG1 1 91 THR H 6.000 . 7.500 4.083 4.024 4.175 . 0 0 "[ . 1 . ]" 1
662 1 90 VAL MG1 1 93 ALA MB 4.500 . 5.000 4.006 3.733 4.402 . 0 0 "[ . 1 . ]" 1
663 1 90 VAL MG2 1 91 THR H 6.000 . 7.500 2.213 2.133 2.325 . 0 0 "[ . 1 . ]" 1
664 1 90 VAL MG2 1 91 THR HA 6.000 . 7.500 3.459 3.294 3.685 . 0 0 "[ . 1 . ]" 1
665 1 90 VAL MG2 1 94 LEU MD1 . . 5.200 3.513 3.133 3.893 . 0 0 "[ . 1 . ]" 1
666 1 90 VAL MG2 1 94 LEU MD2 5.500 . 6.200 4.106 3.718 4.764 . 0 0 "[ . 1 . ]" 1
667 1 91 THR H 1 92 ARG H 3.500 . 4.200 2.660 2.598 2.781 . 0 0 "[ . 1 . ]" 1
668 1 91 THR H 1 92 ARG HA 5.000 . 6.500 5.331 5.251 5.461 . 0 0 "[ . 1 . ]" 1
669 1 91 THR HA 1 92 ARG H 2.700 . 3.200 3.364 3.326 3.386 0.186 8 0 "[ . 1 . ]" 1
670 1 91 THR HA 1 94 LEU H 5.000 . 6.500 3.417 3.129 3.724 . 0 0 "[ . 1 . ]" 1
671 1 91 THR HA 1 94 LEU HB3 3.500 . 4.200 4.095 3.824 4.250 0.050 2 0 "[ . 1 . ]" 1
672 1 91 THR HA 1 94 LEU MD2 3.700 . 4.200 2.821 2.359 4.076 . 0 0 "[ . 1 . ]" 1
673 1 91 THR HA 1 94 LEU HG 5.000 . 6.500 4.837 2.885 5.338 . 0 0 "[ . 1 . ]" 1
674 1 91 THR HA 1 95 GLU H 5.000 . 6.500 4.102 3.938 4.298 . 0 0 "[ . 1 . ]" 1
675 1 91 THR HB 1 92 ARG H 3.500 . 4.200 3.639 3.418 3.825 . 0 0 "[ . 1 . ]" 1
676 1 91 THR HB 1 93 ALA H 5.000 . 6.500 5.740 5.622 5.886 . 0 0 "[ . 1 . ]" 1
677 1 91 THR MG 1 92 ARG H 4.500 . 5.200 3.967 3.798 4.110 . 0 0 "[ . 1 . ]" 1
678 1 92 ARG HA 1 95 GLU H 2.700 . 3.200 3.167 2.752 3.251 0.051 11 0 "[ . 1 . ]" 1
679 1 92 ARG HA 1 95 GLU HB2 2.700 . 3.200 3.243 3.204 3.287 0.087 8 0 "[ . 1 . ]" 1
680 1 92 ARG HA 1 95 GLU HB3 2.700 . 3.200 2.940 2.524 3.242 0.042 2 0 "[ . 1 . ]" 1
681 1 92 ARG QB 1 93 ALA H 3.500 . 4.000 2.589 2.379 2.987 . 0 0 "[ . 1 . ]" 1
682 1 92 ARG QD 1 93 ALA H 5.800 . 7.300 4.841 4.533 5.314 . 0 0 "[ . 1 . ]" 1
683 1 92 ARG QG 1 96 ASN H 5.000 . 6.500 4.079 3.715 4.551 . 0 0 "[ . 1 . ]" 1
684 1 92 ARG QG 1 96 ASN HD21 3.500 . 4.200 2.874 2.074 3.733 . 0 0 "[ . 1 . ]" 1
685 1 92 ARG QG 1 96 ASN HD22 2.700 . 3.200 2.764 2.385 3.327 0.127 2 0 "[ . 1 . ]" 1
686 1 93 ALA H 1 94 LEU H 2.700 . 3.200 2.702 2.606 2.847 . 0 0 "[ . 1 . ]" 1
687 1 93 ALA H 1 94 LEU MD1 4.500 . 5.200 4.549 4.386 5.217 0.017 15 0 "[ . 1 . ]" 1
688 1 93 ALA H 1 95 GLU H 3.500 . 4.200 4.261 4.225 4.302 0.102 2 0 "[ . 1 . ]" 1
689 1 93 ALA H 1 95 GLU HB3 5.000 . 6.500 5.536 5.192 6.103 . 0 0 "[ . 1 . ]" 1
690 1 93 ALA HA 1 94 LEU H 5.000 . 6.500 3.568 3.553 3.603 . 0 0 "[ . 1 . ]" 1
691 1 93 ALA HA 1 96 ASN H 3.500 . 4.200 3.290 3.103 3.928 . 0 0 "[ . 1 . ]" 1
692 1 93 ALA HA 1 96 ASN HB3 2.700 . 3.200 3.316 3.217 3.357 0.157 7 0 "[ . 1 . ]" 1
693 1 93 ALA HA 1 96 ASN HD21 5.000 . 6.500 3.196 1.981 4.633 . 0 0 "[ . 1 . ]" 1
694 1 93 ALA HA 1 96 ASN HD22 5.000 . 6.500 4.261 3.390 5.531 . 0 0 "[ . 1 . ]" 1
695 1 93 ALA HA 1 97 VAL H 5.000 . 6.500 3.625 3.483 3.874 . 0 0 "[ . 1 . ]" 1
696 1 93 ALA MB 1 94 LEU H 5.800 . 7.300 2.634 2.328 2.735 . 0 0 "[ . 1 . ]" 1
697 1 93 ALA MB 1 94 LEU MD1 4.500 . 5.000 3.481 2.931 5.032 0.032 15 0 "[ . 1 . ]" 1
698 1 93 ALA MB 1 97 VAL H 5.800 . 7.300 4.153 4.017 4.548 . 0 0 "[ . 1 . ]" 1
699 1 93 ALA MB 1 97 VAL MG2 4.500 . 5.000 3.614 3.507 3.705 . 0 0 "[ . 1 . ]" 1
700 1 94 LEU H 1 95 GLU H 2.700 . 3.200 2.837 2.765 2.909 . 0 0 "[ . 1 . ]" 1
701 1 94 LEU HA 1 97 VAL HB 5.000 . 6.500 4.824 4.574 5.163 . 0 0 "[ . 1 . ]" 1
702 1 94 LEU HA 1 97 VAL MG2 3.700 . 4.200 2.015 1.738 2.296 . 0 0 "[ . 1 . ]" 1
703 1 94 LEU HB2 1 96 ASN H 5.000 . 6.500 5.053 4.764 5.241 . 0 0 "[ . 1 . ]" 1
704 1 94 LEU HB2 1 97 VAL MG2 6.000 . 7.500 4.523 4.306 4.717 . 0 0 "[ . 1 . ]" 1
705 1 94 LEU HB3 1 95 GLU H 2.700 . 3.200 2.915 2.728 3.187 . 0 0 "[ . 1 . ]" 1
706 1 95 GLU H 1 96 ASN H 3.500 . 4.200 2.700 2.569 2.801 . 0 0 "[ . 1 . ]" 1
707 1 95 GLU H 1 97 VAL H 5.000 . 6.500 4.472 4.349 4.672 . 0 0 "[ . 1 . ]" 1
708 1 95 GLU H 1 98 LEU MD1 3.700 . 4.200 4.204 3.952 4.286 0.086 16 0 "[ . 1 . ]" 1
709 1 95 GLU HA 1 96 ASN H 3.500 . 4.200 3.448 3.414 3.473 . 0 0 "[ . 1 . ]" 1
710 1 95 GLU HA 1 98 LEU H 2.700 . 3.200 3.513 3.463 3.548 0.348 2 0 "[ . 1 . ]" 1
711 1 95 GLU HA 1 98 LEU MD1 6.000 . 7.500 2.371 2.173 2.511 . 0 0 "[ . 1 . ]" 1
712 1 95 GLU HB2 1 96 ASN H 3.500 . 4.200 3.682 3.427 3.856 . 0 0 "[ . 1 . ]" 1
713 1 95 GLU HB2 1 98 LEU MD1 3.700 . 4.200 4.209 4.017 4.337 0.137 8 0 "[ . 1 . ]" 1
714 1 95 GLU HB3 1 96 ASN H 3.500 . 4.200 2.531 2.383 2.715 . 0 0 "[ . 1 . ]" 1
715 1 95 GLU HB3 1 98 LEU MD1 6.000 . 7.500 4.881 4.669 5.020 . 0 0 "[ . 1 . ]" 1
716 1 96 ASN H 1 97 VAL H 3.500 . 4.200 2.983 2.883 3.077 . 0 0 "[ . 1 . ]" 1
717 1 96 ASN H 1 98 LEU MD1 6.000 . 7.500 5.033 4.767 5.201 . 0 0 "[ . 1 . ]" 1
718 1 96 ASN HB2 1 97 VAL H 2.700 . 3.200 2.481 2.234 3.011 . 0 0 "[ . 1 . ]" 1
719 1 96 ASN HB3 1 97 VAL H 3.500 . 4.200 2.700 2.006 2.946 . 0 0 "[ . 1 . ]" 1
720 1 97 VAL H 1 98 LEU H 2.700 . 3.200 2.776 2.725 2.878 . 0 0 "[ . 1 . ]" 1
721 1 97 VAL HA 1 102 ALA MB 3.500 . 4.000 4.043 4.012 4.081 0.081 5 0 "[ . 1 . ]" 1
722 1 97 VAL HB 1 98 LEU H 2.700 . 3.200 3.466 3.433 3.487 0.287 19 0 "[ . 1 . ]" 1
723 1 97 VAL MG2 1 100 GLY HA2 6.000 . 7.500 7.213 6.792 7.469 . 0 0 "[ . 1 . ]" 1
724 1 97 VAL MG2 1 100 GLY HA3 6.000 . 7.500 7.186 6.328 7.503 0.003 17 0 "[ . 1 . ]" 1
725 1 98 LEU H 1 99 SER H 2.700 . 3.200 2.392 2.295 2.480 . 0 0 "[ . 1 . ]" 1
726 1 98 LEU H 1 100 GLY H 3.500 . 4.200 3.736 3.477 3.902 . 0 0 "[ . 1 . ]" 1
727 1 98 LEU H 1 101 LYS H 5.000 . 6.500 4.186 4.002 4.446 . 0 0 "[ . 1 . ]" 1
728 1 98 LEU HA 1 101 LYS H 2.700 . 3.200 3.521 3.443 3.594 0.394 16 0 "[ . 1 . ]" 1
729 1 98 LEU HA 1 101 LYS HB3 5.000 . 6.500 5.250 4.321 6.526 0.026 6 0 "[ . 1 . ]" 1
730 1 98 LEU HB2 1 99 SER H 3.500 . 4.200 3.971 3.784 4.170 . 0 0 "[ . 1 . ]" 1
731 1 98 LEU HB3 1 99 SER H 3.500 . 4.200 4.268 4.230 4.317 0.117 15 0 "[ . 1 . ]" 1
732 1 98 LEU MD1 1 99 SER H 4.500 . 5.200 2.405 2.050 2.831 . 0 0 "[ . 1 . ]" 1
733 1 98 LEU HG 1 99 SER H 3.500 . 4.200 3.158 2.928 3.423 . 0 0 "[ . 1 . ]" 1
734 1 99 SER HA 1 100 GLY H 3.500 . 4.200 3.533 3.465 3.594 . 0 0 "[ . 1 . ]" 1
735 1 100 GLY H 1 101 LYS H 2.700 . 3.200 2.221 2.066 2.627 . 0 0 "[ . 1 . ]" 1
736 1 100 GLY HA2 1 101 LYS QD 5.800 . 7.300 6.427 5.338 6.979 . 0 0 "[ . 1 . ]" 1
737 1 100 GLY HA3 1 101 LYS QD 5.800 . 7.300 6.312 4.671 7.218 . 0 0 "[ . 1 . ]" 1
738 1 101 LYS H 1 102 ALA H 3.500 . 4.200 2.062 1.850 2.357 . 0 0 "[ . 1 . ]" 1
739 1 101 LYS HA 1 102 ALA H 2.700 . 3.200 3.272 3.230 3.308 0.108 18 0 "[ . 1 . ]" 1
740 1 101 LYS HB2 1 102 ALA H 2.700 . 3.200 3.179 2.388 3.336 0.136 8 0 "[ . 1 . ]" 1
741 1 101 LYS HB2 1 102 ALA MB 5.800 . 7.300 4.425 3.414 4.926 . 0 0 "[ . 1 . ]" 1
742 1 101 LYS HB3 1 102 ALA H 3.500 . 4.200 2.645 1.805 4.055 . 0 0 "[ . 1 . ]" 1
743 1 101 LYS QE 1 102 ALA MB 6.600 . 8.100 5.436 2.711 6.759 . 0 0 "[ . 1 . ]" 1
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