NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
418248 |
2e0g   |
10027 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e0g
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 783
_Distance_constraint_stats_list.Viol_count 4252
_Distance_constraint_stats_list.Viol_total 11102.322
_Distance_constraint_stats_list.Viol_max 0.845
_Distance_constraint_stats_list.Viol_rms 0.0565
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0227
_Distance_constraint_stats_list.Viol_average_violations_only 0.1044
_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 3 SER 0.074 0.054 15 0 "[ . 1 . 2 .]"
1 4 LEU 1.594 0.109 7 0 "[ . 1 . 2 .]"
1 5 TRP 19.584 0.230 15 0 "[ . 1 . 2 .]"
1 6 GLN 3.613 0.182 13 0 "[ . 1 . 2 .]"
1 7 GLN 7.926 0.271 6 0 "[ . 1 . 2 .]"
1 8 CYS 5.833 0.239 13 0 "[ . 1 . 2 .]"
1 9 LEU 23.646 0.358 17 0 "[ . 1 . 2 .]"
1 10 ALA 12.133 0.304 10 0 "[ . 1 . 2 .]"
1 11 ARG 5.777 0.187 20 0 "[ . 1 . 2 .]"
1 12 LEU 32.300 0.453 20 0 "[ . 1 . 2 .]"
1 13 GLN 5.534 0.392 14 0 "[ . 1 . 2 .]"
1 14 ASP 8.765 0.270 24 0 "[ . 1 . 2 .]"
1 15 GLU 2.917 0.190 15 0 "[ . 1 . 2 .]"
1 16 LEU 4.536 0.114 20 0 "[ . 1 . 2 .]"
1 17 PRO 7.351 0.252 22 0 "[ . 1 . 2 .]"
1 18 ALA 4.281 0.252 22 0 "[ . 1 . 2 .]"
1 19 THR 5.326 0.353 19 0 "[ . 1 . 2 .]"
1 20 GLU 4.739 0.353 19 0 "[ . 1 . 2 .]"
1 21 PHE 8.892 0.453 20 0 "[ . 1 . 2 .]"
1 22 SER 9.136 0.284 19 0 "[ . 1 . 2 .]"
1 23 MET 15.222 0.243 20 0 "[ . 1 . 2 .]"
1 24 TRP 26.746 0.348 16 0 "[ . 1 . 2 .]"
1 25 ILE 9.711 0.344 22 0 "[ . 1 . 2 .]"
1 26 ARG 3.487 0.370 18 0 "[ . 1 . 2 .]"
1 27 PRO 3.026 0.153 9 0 "[ . 1 . 2 .]"
1 28 LEU 18.482 0.329 14 0 "[ . 1 . 2 .]"
1 29 GLN 13.147 0.434 25 0 "[ . 1 . 2 .]"
1 30 ALA 8.749 0.330 9 0 "[ . 1 . 2 .]"
1 31 GLU 8.954 0.241 8 0 "[ . 1 . 2 .]"
1 32 LEU 19.242 0.325 18 0 "[ . 1 . 2 .]"
1 33 SER 8.581 0.286 17 0 "[ . 1 . 2 .]"
1 34 ASP 4.435 0.378 18 0 "[ . 1 . 2 .]"
1 35 ASN 12.458 0.421 8 0 "[ . 1 . 2 .]"
1 36 THR 24.705 0.421 8 0 "[ . 1 . 2 .]"
1 37 LEU 19.635 0.347 13 0 "[ . 1 . 2 .]"
1 38 ALA 15.578 0.330 9 0 "[ . 1 . 2 .]"
1 39 LEU 23.429 0.330 18 0 "[ . 1 . 2 .]"
1 40 TYR 12.734 0.434 25 0 "[ . 1 . 2 .]"
1 41 ALA 6.844 0.267 3 0 "[ . 1 . 2 .]"
1 42 PRO 0.132 0.047 17 0 "[ . 1 . 2 .]"
1 43 ASN 9.599 0.246 16 0 "[ . 1 . 2 .]"
1 44 ARG 4.544 0.208 16 0 "[ . 1 . 2 .]"
1 45 PHE 5.459 0.246 16 0 "[ . 1 . 2 .]"
1 46 VAL 8.401 0.513 16 1 "[ . 1 .+ 2 .]"
1 47 LEU 14.719 0.845 23 3 "[ . 1 .- 2* + .]"
1 48 ASP 18.080 0.384 23 0 "[ . 1 . 2 .]"
1 49 TRP 11.337 0.330 7 0 "[ . 1 . 2 .]"
1 50 VAL 1.564 0.291 9 0 "[ . 1 . 2 .]"
1 51 ARG 13.514 0.415 5 0 "[ . 1 . 2 .]"
1 52 ASP 8.409 0.209 3 0 "[ . 1 . 2 .]"
1 53 LYS 24.904 0.334 9 0 "[ . 1 . 2 .]"
1 54 TYR 15.832 0.354 20 0 "[ . 1 . 2 .]"
1 55 LEU 20.647 0.249 21 0 "[ . 1 . 2 .]"
1 56 ASN 4.992 0.232 13 0 "[ . 1 . 2 .]"
1 57 ASN 0.542 0.065 17 0 "[ . 1 . 2 .]"
1 58 ILE 8.055 0.303 20 0 "[ . 1 . 2 .]"
1 59 ASN 13.302 0.178 4 0 "[ . 1 . 2 .]"
1 60 GLY 4.031 0.163 20 0 "[ . 1 . 2 .]"
1 61 LEU 17.261 0.255 13 0 "[ . 1 . 2 .]"
1 62 LEU 4.395 0.266 1 0 "[ . 1 . 2 .]"
1 63 THR 9.805 0.266 1 0 "[ . 1 . 2 .]"
1 64 SER 3.924 0.217 18 0 "[ . 1 . 2 .]"
1 65 PHE 17.701 0.255 13 0 "[ . 1 . 2 .]"
1 66 CYS 2.997 0.217 18 0 "[ . 1 . 2 .]"
1 67 GLY 13.950 0.344 15 0 "[ . 1 . 2 .]"
1 68 ALA 9.611 0.344 12 0 "[ . 1 . 2 .]"
1 69 ASP 23.609 0.344 15 0 "[ . 1 . 2 .]"
1 70 ALA 8.644 0.344 12 0 "[ . 1 . 2 .]"
1 71 PRO 0.354 0.130 16 0 "[ . 1 . 2 .]"
1 72 GLN 9.112 0.313 13 0 "[ . 1 . 2 .]"
1 73 LEU 13.181 0.362 24 0 "[ . 1 . 2 .]"
1 74 ARG 18.738 0.288 15 0 "[ . 1 . 2 .]"
1 75 PHE 11.896 0.394 8 0 "[ . 1 . 2 .]"
1 76 GLU 6.661 0.374 15 0 "[ . 1 . 2 .]"
1 77 VAL 7.572 0.231 6 0 "[ . 1 . 2 .]"
1 78 GLY 8.606 0.267 3 0 "[ . 1 . 2 .]"
1 79 THR 0.909 0.298 11 0 "[ . 1 . 2 .]"
1 80 LYS 0.909 0.298 11 0 "[ . 1 . 2 .]"
1 81 PRO 0.086 0.013 18 0 "[ . 1 . 2 .]"
1 82 VAL 0.934 0.137 19 0 "[ . 1 . 2 .]"
1 83 THR 0.816 0.137 19 0 "[ . 1 . 2 .]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 85 THR 0.010 0.004 18 0 "[ . 1 . 2 .]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 87 GLN 0.001 0.001 12 0 "[ . 1 . 2 .]"
1 88 ALA 0.015 0.015 6 0 "[ . 1 . 2 .]"
1 89 ALA 0.024 0.015 6 0 "[ . 1 . 2 .]"
1 90 VAL 0.017 0.009 2 0 "[ . 1 . 2 .]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 93 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 94 VAL 0.003 0.002 18 0 "[ . 1 . 2 .]"
1 95 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 97 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 98 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 99 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 100 VAL 0.274 0.126 2 0 "[ . 1 . 2 .]"
1 101 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 102 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 103 THR 0.000 0.000 1 0 "[ . 1 . 2 .]"
1 104 GLN 0.000 0.000 1 0 "[ . 1 . 2 .]"
1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 107 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
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 3 SER H 1 6 GLN H . . 4.900 4.307 3.705 4.954 0.054 15 0 "[ . 1 . 2 .]" 1
2 1 3 SER HA 1 5 TRP H . . 5.290 4.716 4.333 5.070 . 0 0 "[ . 1 . 2 .]" 1
3 1 3 SER QB 1 6 GLN H . . 3.840 2.915 2.453 3.773 . 0 0 "[ . 1 . 2 .]" 1
4 1 4 LEU H 1 4 LEU QB . . 3.080 2.077 2.026 2.339 . 0 0 "[ . 1 . 2 .]" 1
5 1 4 LEU H 1 32 LEU QB . . 4.880 4.661 4.275 4.886 0.006 7 0 "[ . 1 . 2 .]" 1
6 1 4 LEU H 1 32 LEU QD . . 3.520 1.941 1.820 2.132 . 0 0 "[ . 1 . 2 .]" 1
7 1 4 LEU H 1 32 LEU HG . . 3.990 3.953 3.451 4.075 0.085 3 0 "[ . 1 . 2 .]" 1
8 1 4 LEU HA 1 4 LEU QD . . 4.170 2.171 1.900 2.768 . 0 0 "[ . 1 . 2 .]" 1
9 1 4 LEU HA 1 7 GLN HE21 . . 4.350 3.747 2.922 4.433 0.083 20 0 "[ . 1 . 2 .]" 1
10 1 4 LEU HA 1 7 GLN QE . . 3.730 3.518 2.882 3.775 0.045 20 0 "[ . 1 . 2 .]" 1
11 1 4 LEU HA 1 7 GLN HE22 . . 4.350 4.374 4.090 4.459 0.109 7 0 "[ . 1 . 2 .]" 1
12 1 4 LEU QB 1 5 TRP H . . 3.350 2.285 2.159 2.542 . 0 0 "[ . 1 . 2 .]" 1
13 1 5 TRP H 1 5 TRP QB . . 3.040 2.158 2.127 2.180 . 0 0 "[ . 1 . 2 .]" 1
14 1 5 TRP H 1 6 GLN H . . 3.350 3.064 2.969 3.124 . 0 0 "[ . 1 . 2 .]" 1
15 1 5 TRP H 1 30 ALA MB . . 4.110 4.216 4.131 4.340 0.230 15 0 "[ . 1 . 2 .]" 1
16 1 5 TRP H 1 32 LEU QB . . 5.340 5.112 4.865 5.343 0.003 2 0 "[ . 1 . 2 .]" 1
17 1 5 TRP H 1 32 LEU QD . . 3.740 2.341 1.930 3.398 . 0 0 "[ . 1 . 2 .]" 1
18 1 5 TRP H 1 32 LEU HG . . 3.750 3.902 3.846 3.957 0.207 23 0 "[ . 1 . 2 .]" 1
19 1 5 TRP H 1 37 LEU HG . . 5.500 4.576 3.334 5.580 0.080 7 0 "[ . 1 . 2 .]" 1
20 1 5 TRP HA 1 5 TRP HD1 . . 5.200 2.034 1.955 2.116 . 0 0 "[ . 1 . 2 .]" 1
21 1 5 TRP HA 1 5 TRP HE1 . . 4.430 4.510 4.451 4.543 0.113 15 0 "[ . 1 . 2 .]" 1
22 1 5 TRP HA 1 8 CYS H . . 3.550 3.486 3.373 3.578 0.028 20 0 "[ . 1 . 2 .]" 1
23 1 5 TRP QB 1 5 TRP HD1 . . 3.440 3.119 3.061 3.155 . 0 0 "[ . 1 . 2 .]" 1
24 1 5 TRP QB 1 5 TRP HE1 . . 4.350 4.570 4.556 4.579 0.229 20 0 "[ . 1 . 2 .]" 1
25 1 5 TRP QB 1 6 GLN H . . 3.350 2.084 1.967 2.226 . 0 0 "[ . 1 . 2 .]" 1
26 1 5 TRP QB 1 30 ALA MB . . 4.290 2.470 2.303 2.554 . 0 0 "[ . 1 . 2 .]" 1
27 1 5 TRP QB 1 37 LEU QD . . 4.480 2.256 1.921 2.488 . 0 0 "[ . 1 . 2 .]" 1
28 1 5 TRP HD1 1 9 LEU QD . . 3.440 3.406 2.729 3.518 0.078 5 0 "[ . 1 . 2 .]" 1
29 1 5 TRP HD1 1 9 LEU HG . . 5.490 3.978 3.676 5.499 0.009 17 0 "[ . 1 . 2 .]" 1
30 1 5 TRP HD1 1 25 ILE MD . . 4.280 4.168 3.586 4.394 0.114 21 0 "[ . 1 . 2 .]" 1
31 1 5 TRP HD1 1 30 ALA MB . . 3.430 2.975 2.882 3.075 . 0 0 "[ . 1 . 2 .]" 1
32 1 5 TRP HE1 1 9 LEU QD . . 3.070 2.858 2.680 3.072 0.002 25 0 "[ . 1 . 2 .]" 1
33 1 5 TRP HE1 1 25 ILE MD . . 3.100 2.510 1.963 2.736 . 0 0 "[ . 1 . 2 .]" 1
34 1 5 TRP HE1 1 28 LEU QD . . 5.370 4.903 4.610 5.232 . 0 0 "[ . 1 . 2 .]" 1
35 1 5 TRP HE1 1 30 ALA MB . . 4.150 2.856 2.696 3.060 . 0 0 "[ . 1 . 2 .]" 1
36 1 5 TRP HE1 1 39 LEU QD . . 4.260 2.315 1.878 2.720 . 0 0 "[ . 1 . 2 .]" 1
37 1 5 TRP HH2 1 28 LEU H . . 4.490 4.530 4.372 4.613 0.123 7 0 "[ . 1 . 2 .]" 1
38 1 5 TRP HZ2 1 25 ILE MG . . 2.950 2.289 1.857 3.049 0.099 17 0 "[ . 1 . 2 .]" 1
39 1 5 TRP HZ2 1 28 LEU H . . 4.050 4.061 3.953 4.193 0.143 17 0 "[ . 1 . 2 .]" 1
40 1 5 TRP HZ2 1 28 LEU QB . . 4.160 2.913 2.657 3.118 . 0 0 "[ . 1 . 2 .]" 1
41 1 5 TRP HZ2 1 28 LEU MD1 . . 4.790 4.823 4.514 4.933 0.143 10 0 "[ . 1 . 2 .]" 1
42 1 6 GLN H 1 6 GLN QG . . 3.000 2.655 1.974 3.157 0.157 13 0 "[ . 1 . 2 .]" 1
43 1 6 GLN H 1 9 LEU QD . . 5.440 3.721 3.556 3.962 . 0 0 "[ . 1 . 2 .]" 1
44 1 6 GLN H 1 32 LEU QD . . 5.440 4.426 4.092 5.121 . 0 0 "[ . 1 . 2 .]" 1
45 1 6 GLN HA 1 9 LEU H . . 3.600 3.652 3.513 3.782 0.182 13 0 "[ . 1 . 2 .]" 1
46 1 6 GLN HA 1 9 LEU QD . . 4.190 1.987 1.902 2.403 . 0 0 "[ . 1 . 2 .]" 1
47 1 6 GLN HA 1 9 LEU HG . . 3.750 3.291 2.999 3.818 0.068 17 0 "[ . 1 . 2 .]" 1
48 1 6 GLN HA 1 10 ALA H . . 4.100 4.148 3.984 4.235 0.135 14 0 "[ . 1 . 2 .]" 1
49 1 7 GLN H 1 61 LEU QD . . 5.170 5.009 4.606 5.280 0.110 20 0 "[ . 1 . 2 .]" 1
50 1 7 GLN HA 1 9 LEU H . . 4.090 4.316 4.268 4.361 0.271 6 0 "[ . 1 . 2 .]" 1
51 1 7 GLN QB 1 7 GLN HE21 . . 4.140 2.036 1.918 3.269 . 0 0 "[ . 1 . 2 .]" 1
52 1 7 GLN QB 1 7 GLN QE . . 3.530 2.013 1.905 3.089 . 0 0 "[ . 1 . 2 .]" 1
53 1 7 GLN QB 1 7 GLN HE22 . . 4.140 3.277 3.149 3.799 . 0 0 "[ . 1 . 2 .]" 1
54 1 7 GLN QB 1 8 CYS H . . 3.240 2.476 2.343 2.616 . 0 0 "[ . 1 . 2 .]" 1
55 1 7 GLN QE 1 11 ARG QG . . 5.140 5.176 5.054 5.258 0.118 20 0 "[ . 1 . 2 .]" 1
56 1 7 GLN QE 1 61 LEU QD . . 3.880 1.987 1.756 2.349 . 0 0 "[ . 1 . 2 .]" 1
57 1 7 GLN HE21 1 61 LEU MD1 . . 5.500 2.682 2.191 3.582 . 0 0 "[ . 1 . 2 .]" 1
58 1 7 GLN HE21 1 61 LEU MD2 . . 5.500 2.383 1.921 3.408 . 0 0 "[ . 1 . 2 .]" 1
59 1 7 GLN HE22 1 61 LEU MD1 . . 5.500 3.482 2.894 4.121 . 0 0 "[ . 1 . 2 .]" 1
60 1 7 GLN HE22 1 61 LEU MD2 . . 5.500 2.648 1.930 3.590 . 0 0 "[ . 1 . 2 .]" 1
61 1 7 GLN QG 1 11 ARG QG . . 4.740 4.384 3.651 4.762 0.022 13 0 "[ . 1 . 2 .]" 1
62 1 8 CYS H 1 8 CYS HB2 . . 3.250 2.356 2.270 2.435 . 0 0 "[ . 1 . 2 .]" 1
63 1 8 CYS H 1 9 LEU H . . 3.290 2.795 2.711 2.860 . 0 0 "[ . 1 . 2 .]" 1
64 1 8 CYS H 1 37 LEU QD . . 3.920 3.901 3.525 4.069 0.149 25 0 "[ . 1 . 2 .]" 1
65 1 8 CYS H 1 61 LEU QD . . 3.700 3.784 3.420 3.939 0.239 13 0 "[ . 1 . 2 .]" 1
66 1 8 CYS HA 1 11 ARG QB . . 5.340 2.859 2.498 3.066 . 0 0 "[ . 1 . 2 .]" 1
67 1 8 CYS HA 1 58 ILE MD . . 4.560 2.668 2.384 3.057 . 0 0 "[ . 1 . 2 .]" 1
68 1 8 CYS HA 1 73 LEU QD . . 5.440 5.522 5.272 5.637 0.197 7 0 "[ . 1 . 2 .]" 1
69 1 8 CYS QB 1 9 LEU H . . 3.160 2.611 2.557 2.692 . 0 0 "[ . 1 . 2 .]" 1
70 1 8 CYS QB 1 58 ILE MD . . 3.580 1.833 1.809 1.867 . 0 0 "[ . 1 . 2 .]" 1
71 1 8 CYS HB2 1 9 LEU H . . 3.600 2.701 2.627 2.809 . 0 0 "[ . 1 . 2 .]" 1
72 1 8 CYS HB3 1 9 LEU H . . 3.600 3.461 3.402 3.569 . 0 0 "[ . 1 . 2 .]" 1
73 1 9 LEU H 1 9 LEU HB2 . . 3.410 2.649 2.291 2.686 . 0 0 "[ . 1 . 2 .]" 1
74 1 9 LEU H 1 9 LEU QB . . 2.980 2.582 2.265 2.614 . 0 0 "[ . 1 . 2 .]" 1
75 1 9 LEU H 1 9 LEU HB3 . . 3.410 3.582 3.546 3.586 0.176 25 0 "[ . 1 . 2 .]" 1
76 1 9 LEU H 1 9 LEU MD1 . . 3.280 3.316 3.259 3.457 0.177 17 0 "[ . 1 . 2 .]" 1
77 1 9 LEU H 1 9 LEU QD . . 2.770 2.906 1.911 2.986 0.216 20 0 "[ . 1 . 2 .]" 1
78 1 9 LEU H 1 9 LEU MD2 . . 3.280 3.252 1.921 3.355 0.075 20 0 "[ . 1 . 2 .]" 1
79 1 9 LEU H 1 10 ALA H . . 3.370 2.777 2.725 2.878 . 0 0 "[ . 1 . 2 .]" 1
80 1 9 LEU H 1 11 ARG H . . 3.990 4.010 3.912 4.177 0.187 20 0 "[ . 1 . 2 .]" 1
81 1 9 LEU H 1 21 PHE QE . . 5.410 4.839 4.360 5.246 . 0 0 "[ . 1 . 2 .]" 1
82 1 9 LEU HA 1 9 LEU QD . . 3.510 2.273 1.764 2.453 . 0 0 "[ . 1 . 2 .]" 1
83 1 9 LEU HA 1 12 LEU H . . 3.950 3.441 3.327 3.567 . 0 0 "[ . 1 . 2 .]" 1
84 1 9 LEU HA 1 13 GLN H . . 4.370 4.139 3.904 4.325 . 0 0 "[ . 1 . 2 .]" 1
85 1 9 LEU QB 1 21 PHE QE . . 5.110 1.999 1.945 2.180 . 0 0 "[ . 1 . 2 .]" 1
86 1 9 LEU HB2 1 10 ALA H . . 3.460 2.194 2.119 2.389 . 0 0 "[ . 1 . 2 .]" 1
87 1 9 LEU HB3 1 10 ALA H . . 3.460 3.475 3.104 3.544 0.084 5 0 "[ . 1 . 2 .]" 1
88 1 9 LEU QD 1 10 ALA H . . 3.630 3.652 3.595 3.698 0.068 17 0 "[ . 1 . 2 .]" 1
89 1 9 LEU QD 1 21 PHE QE . . 3.210 1.982 1.897 2.279 . 0 0 "[ . 1 . 2 .]" 1
90 1 9 LEU MD1 1 10 ALA H . . 4.490 3.856 3.752 4.520 0.030 17 0 "[ . 1 . 2 .]" 1
91 1 9 LEU MD1 1 21 PHE QE . . 3.740 3.496 2.261 3.777 0.037 1 0 "[ . 1 . 2 .]" 1
92 1 9 LEU MD2 1 10 ALA H . . 4.490 4.580 3.924 4.635 0.145 10 0 "[ . 1 . 2 .]" 1
93 1 9 LEU MD2 1 21 PHE QE . . 3.740 2.066 1.907 4.098 0.358 17 0 "[ . 1 . 2 .]" 1
94 1 10 ALA H 1 10 ALA MB . . 2.720 2.138 2.024 2.219 . 0 0 "[ . 1 . 2 .]" 1
95 1 10 ALA H 1 11 ARG H . . 3.250 2.811 2.729 2.897 . 0 0 "[ . 1 . 2 .]" 1
96 1 10 ALA H 1 12 LEU H . . 4.010 4.258 4.063 4.314 0.304 10 0 "[ . 1 . 2 .]" 1
97 1 10 ALA MB 1 11 ARG H . . 3.100 2.609 2.419 2.752 . 0 0 "[ . 1 . 2 .]" 1
98 1 11 ARG H 1 11 ARG HB2 . . 3.110 2.331 2.114 2.774 . 0 0 "[ . 1 . 2 .]" 1
99 1 11 ARG H 1 11 ARG QB . . 2.710 2.144 2.078 2.222 . 0 0 "[ . 1 . 2 .]" 1
100 1 11 ARG H 1 11 ARG HB3 . . 3.110 2.787 2.305 3.068 . 0 0 "[ . 1 . 2 .]" 1
101 1 11 ARG H 1 11 ARG QD . . 4.120 4.226 4.181 4.261 0.141 12 0 "[ . 1 . 2 .]" 1
102 1 11 ARG H 1 12 LEU H . . 3.140 2.634 2.597 2.722 . 0 0 "[ . 1 . 2 .]" 1
103 1 11 ARG HA 1 13 GLN H . . 5.300 4.404 4.133 4.970 . 0 0 "[ . 1 . 2 .]" 1
104 1 11 ARG HA 1 14 ASP H . . 3.400 3.410 3.284 3.562 0.162 10 0 "[ . 1 . 2 .]" 1
105 1 11 ARG QD 1 12 LEU H . . 4.180 4.034 3.848 4.239 0.059 14 0 "[ . 1 . 2 .]" 1
106 1 12 LEU H 1 12 LEU HB2 . . 3.150 2.150 2.091 2.623 . 0 0 "[ . 1 . 2 .]" 1
107 1 12 LEU H 1 12 LEU QB . . 2.750 2.093 2.061 2.233 . 0 0 "[ . 1 . 2 .]" 1
108 1 12 LEU H 1 12 LEU HB3 . . 3.150 2.988 2.419 3.116 . 0 0 "[ . 1 . 2 .]" 1
109 1 12 LEU H 1 13 GLN H . . 3.290 2.581 2.481 2.956 . 0 0 "[ . 1 . 2 .]" 1
110 1 12 LEU HA 1 12 LEU QD . . 3.690 2.101 1.845 2.403 . 0 0 "[ . 1 . 2 .]" 1
111 1 12 LEU HA 1 13 GLN H . . 3.530 3.511 3.455 3.571 0.041 19 0 "[ . 1 . 2 .]" 1
112 1 12 LEU HA 1 14 ASP H . . 3.820 4.026 3.931 4.090 0.270 24 0 "[ . 1 . 2 .]" 1
113 1 12 LEU HA 1 15 GLU H . . 3.510 3.619 3.312 3.700 0.190 15 0 "[ . 1 . 2 .]" 1
114 1 12 LEU HA 1 21 PHE QE . . 5.500 5.434 5.042 5.665 0.165 17 0 "[ . 1 . 2 .]" 1
115 1 12 LEU QB 1 13 GLN H . . 3.390 2.683 2.059 2.972 . 0 0 "[ . 1 . 2 .]" 1
116 1 12 LEU QB 1 21 PHE QE . . 5.040 3.172 2.925 3.331 . 0 0 "[ . 1 . 2 .]" 1
117 1 12 LEU QB 1 58 ILE MD . . 4.880 3.584 3.187 3.914 . 0 0 "[ . 1 . 2 .]" 1
118 1 12 LEU QD 1 21 PHE H . . 3.450 3.548 3.464 3.713 0.263 20 0 "[ . 1 . 2 .]" 1
119 1 12 LEU QD 1 22 SER H . . 4.550 4.600 4.477 4.834 0.284 19 0 "[ . 1 . 2 .]" 1
120 1 12 LEU QD 1 57 ASN H . . 4.350 4.158 3.768 4.329 . 0 0 "[ . 1 . 2 .]" 1
121 1 12 LEU QD 1 57 ASN QB . . 5.030 2.565 2.002 2.801 . 0 0 "[ . 1 . 2 .]" 1
122 1 12 LEU QD 1 57 ASN QD . . 3.410 2.270 1.980 2.931 . 0 0 "[ . 1 . 2 .]" 1
123 1 12 LEU QD 1 58 ILE H . . 4.510 4.206 3.744 4.533 0.023 17 0 "[ . 1 . 2 .]" 1
124 1 12 LEU QD 1 58 ILE MD . . 3.470 3.058 2.626 3.234 . 0 0 "[ . 1 . 2 .]" 1
125 1 12 LEU QD 1 58 ILE QG . . 4.530 4.069 3.783 4.364 . 0 0 "[ . 1 . 2 .]" 1
126 1 12 LEU MD1 1 21 PHE H . . 4.060 3.926 3.709 4.513 0.453 20 0 "[ . 1 . 2 .]" 1
127 1 12 LEU MD1 1 22 SER H . . 5.500 5.008 4.803 5.681 0.181 20 0 "[ . 1 . 2 .]" 1
128 1 12 LEU MD1 1 53 LYS HA . . 5.500 5.610 5.482 5.805 0.305 19 0 "[ . 1 . 2 .]" 1
129 1 12 LEU MD2 1 13 GLN H . . 4.270 4.216 3.972 4.662 0.392 14 0 "[ . 1 . 2 .]" 1
130 1 12 LEU MD2 1 21 PHE H . . 4.060 4.085 3.844 4.280 0.220 22 0 "[ . 1 . 2 .]" 1
131 1 12 LEU MD2 1 22 SER H . . 5.500 5.407 4.774 5.564 0.064 22 0 "[ . 1 . 2 .]" 1
132 1 12 LEU MD2 1 53 LYS HA . . 5.500 5.564 5.316 5.638 0.138 16 0 "[ . 1 . 2 .]" 1
133 1 12 LEU HG 1 54 TYR QB . . 5.330 5.473 5.351 5.684 0.354 20 0 "[ . 1 . 2 .]" 1
134 1 13 GLN H 1 13 GLN HB2 . . 2.990 2.585 2.427 2.648 . 0 0 "[ . 1 . 2 .]" 1
135 1 13 GLN H 1 13 GLN HB3 . . 2.990 2.568 2.413 2.631 . 0 0 "[ . 1 . 2 .]" 1
136 1 13 GLN H 1 14 ASP H . . 2.980 2.379 2.276 2.595 . 0 0 "[ . 1 . 2 .]" 1
137 1 13 GLN H 1 16 LEU H . . 4.940 4.990 4.863 5.054 0.114 20 0 "[ . 1 . 2 .]" 1
138 1 13 GLN H 1 21 PHE QE . . 3.790 3.618 3.267 3.807 0.017 24 0 "[ . 1 . 2 .]" 1
139 1 13 GLN HA 1 13 GLN HG2 . . 4.210 3.753 3.729 3.789 . 0 0 "[ . 1 . 2 .]" 1
140 1 13 GLN HA 1 13 GLN QG . . 3.680 2.754 2.527 3.138 . 0 0 "[ . 1 . 2 .]" 1
141 1 13 GLN HA 1 13 GLN HG3 . . 4.210 2.839 2.571 3.374 . 0 0 "[ . 1 . 2 .]" 1
142 1 13 GLN HA 1 15 GLU H . . 5.480 4.561 4.391 4.809 . 0 0 "[ . 1 . 2 .]" 1
143 1 13 GLN HA 1 16 LEU H . . 3.790 3.794 3.519 3.899 0.109 20 0 "[ . 1 . 2 .]" 1
144 1 13 GLN HA 1 21 PHE QE . . 4.650 2.836 2.458 4.332 . 0 0 "[ . 1 . 2 .]" 1
145 1 13 GLN QB 1 14 ASP H . . 3.070 3.057 2.989 3.091 0.021 22 0 "[ . 1 . 2 .]" 1
146 1 13 GLN QB 1 21 PHE QD . . 5.250 4.286 4.059 4.588 . 0 0 "[ . 1 . 2 .]" 1
147 1 13 GLN QB 1 21 PHE QE . . 4.860 2.232 1.979 2.959 . 0 0 "[ . 1 . 2 .]" 1
148 1 13 GLN HB3 1 14 ASP H . . 3.500 3.154 3.077 3.191 . 0 0 "[ . 1 . 2 .]" 1
149 1 13 GLN QE 1 16 LEU H . . 5.000 4.595 4.243 5.013 0.013 22 0 "[ . 1 . 2 .]" 1
150 1 13 GLN QE 1 20 GLU H . . 5.340 5.287 4.944 5.353 0.013 19 0 "[ . 1 . 2 .]" 1
151 1 13 GLN QG 1 14 ASP H . . 4.080 4.130 3.978 4.183 0.103 5 0 "[ . 1 . 2 .]" 1
152 1 13 GLN QG 1 21 PHE QE . . 4.560 3.696 3.464 3.962 . 0 0 "[ . 1 . 2 .]" 1
153 1 13 GLN HG2 1 21 PHE QE . . 5.310 4.071 3.686 4.543 . 0 0 "[ . 1 . 2 .]" 1
154 1 13 GLN HG3 1 21 PHE QE . . 5.310 4.287 3.947 5.000 . 0 0 "[ . 1 . 2 .]" 1
155 1 14 ASP H 1 14 ASP QB . . 2.630 2.277 2.183 2.341 . 0 0 "[ . 1 . 2 .]" 1
156 1 14 ASP H 1 15 GLU H . . 2.850 2.314 2.228 2.474 . 0 0 "[ . 1 . 2 .]" 1
157 1 14 ASP H 1 16 LEU H . . 3.790 3.802 3.654 3.880 0.090 10 0 "[ . 1 . 2 .]" 1
158 1 14 ASP HA 1 15 GLU H . . 3.570 3.530 3.506 3.555 . 0 0 "[ . 1 . 2 .]" 1
159 1 14 ASP HA 1 16 LEU H . . 4.150 4.158 4.026 4.202 0.052 25 0 "[ . 1 . 2 .]" 1
160 1 14 ASP QB 1 15 GLU H . . 2.970 2.641 2.481 2.725 . 0 0 "[ . 1 . 2 .]" 1
161 1 15 GLU H 1 15 GLU QB . . 2.880 2.186 2.059 2.251 . 0 0 "[ . 1 . 2 .]" 1
162 1 15 GLU H 1 16 LEU H . . 2.910 2.641 2.563 2.745 . 0 0 "[ . 1 . 2 .]" 1
163 1 16 LEU H 1 16 LEU QB . . 3.110 2.934 2.729 3.159 0.049 10 0 "[ . 1 . 2 .]" 1
164 1 16 LEU H 1 16 LEU HG . . 4.170 3.958 3.161 4.283 0.113 9 0 "[ . 1 . 2 .]" 1
165 1 16 LEU H 1 17 PRO QD . . 5.080 4.261 4.212 4.319 . 0 0 "[ . 1 . 2 .]" 1
166 1 17 PRO HA 1 18 ALA H . . 3.540 2.734 2.199 3.425 . 0 0 "[ . 1 . 2 .]" 1
167 1 17 PRO QB 1 19 THR H . . 4.450 4.573 4.541 4.641 0.191 2 0 "[ . 1 . 2 .]" 1
168 1 17 PRO HB2 1 18 ALA H . . 4.200 3.912 3.702 4.060 . 0 0 "[ . 1 . 2 .]" 1
169 1 17 PRO HB3 1 18 ALA H . . 4.200 4.371 4.303 4.452 0.252 22 0 "[ . 1 . 2 .]" 1
170 1 18 ALA H 1 18 ALA MB . . 3.370 2.406 2.031 2.712 . 0 0 "[ . 1 . 2 .]" 1
171 1 18 ALA MB 1 19 THR H . . 4.460 3.569 3.452 3.683 . 0 0 "[ . 1 . 2 .]" 1
172 1 19 THR H 1 19 THR MG . . 4.250 3.741 2.798 3.810 . 0 0 "[ . 1 . 2 .]" 1
173 1 19 THR HB 1 20 GLU H . . 3.630 3.318 3.174 3.911 0.281 8 0 "[ . 1 . 2 .]" 1
174 1 19 THR MG 1 20 GLU H . . 3.910 3.934 2.531 4.263 0.353 19 0 "[ . 1 . 2 .]" 1
175 1 20 GLU H 1 20 GLU HB2 . . 3.250 2.589 2.295 3.564 0.314 24 0 "[ . 1 . 2 .]" 1
176 1 20 GLU H 1 20 GLU QB . . 2.710 2.472 2.227 2.669 . 0 0 "[ . 1 . 2 .]" 1
177 1 20 GLU H 1 21 PHE H . . 3.170 3.035 2.802 3.154 . 0 0 "[ . 1 . 2 .]" 1
178 1 20 GLU H 1 21 PHE HA . . 5.500 5.539 5.369 5.618 0.118 22 0 "[ . 1 . 2 .]" 1
179 1 20 GLU HA 1 23 MET H . . 3.920 3.548 3.248 3.723 . 0 0 "[ . 1 . 2 .]" 1
180 1 20 GLU QB 1 21 PHE H . . 3.420 2.326 2.033 3.449 0.029 24 0 "[ . 1 . 2 .]" 1
181 1 20 GLU QB 1 23 MET H . . 4.600 4.551 4.359 4.804 0.204 12 0 "[ . 1 . 2 .]" 1
182 1 20 GLU QB 1 24 TRP HE1 . . 4.260 3.747 2.994 4.351 0.091 12 0 "[ . 1 . 2 .]" 1
183 1 20 GLU QB 1 49 TRP HE1 . . 3.960 3.024 2.162 4.059 0.099 12 0 "[ . 1 . 2 .]" 1
184 1 21 PHE H 1 21 PHE HB3 . . 3.200 2.176 2.133 2.235 . 0 0 "[ . 1 . 2 .]" 1
185 1 21 PHE H 1 21 PHE QD . . 3.920 2.717 2.154 2.891 . 0 0 "[ . 1 . 2 .]" 1
186 1 21 PHE H 1 23 MET H . . 5.240 4.108 3.998 4.255 . 0 0 "[ . 1 . 2 .]" 1
187 1 21 PHE HA 1 24 TRP H . . 3.950 3.045 2.923 3.392 . 0 0 "[ . 1 . 2 .]" 1
188 1 21 PHE HB3 1 22 SER H . . 3.660 3.675 3.537 3.877 0.217 17 0 "[ . 1 . 2 .]" 1
189 1 21 PHE QD 1 22 SER H . . 4.190 2.976 2.021 3.212 . 0 0 "[ . 1 . 2 .]" 1
190 1 22 SER H 1 22 SER HA . . 2.920 2.824 2.778 2.892 . 0 0 "[ . 1 . 2 .]" 1
191 1 22 SER H 1 23 MET H . . 3.360 2.591 2.365 2.717 . 0 0 "[ . 1 . 2 .]" 1
192 1 22 SER H 1 24 TRP H . . 3.940 4.047 4.002 4.077 0.137 10 0 "[ . 1 . 2 .]" 1
193 1 22 SER HA 1 23 MET H . . 3.250 3.406 3.380 3.493 0.243 20 0 "[ . 1 . 2 .]" 1
194 1 23 MET H 1 23 MET HB2 . . 3.270 2.255 2.157 2.313 . 0 0 "[ . 1 . 2 .]" 1
195 1 23 MET H 1 23 MET QB . . 2.840 2.227 2.135 2.282 . 0 0 "[ . 1 . 2 .]" 1
196 1 23 MET H 1 23 MET HB3 . . 3.270 3.454 3.410 3.486 0.216 18 0 "[ . 1 . 2 .]" 1
197 1 23 MET H 1 23 MET ME . . 4.410 4.013 3.308 4.415 0.005 8 0 "[ . 1 . 2 .]" 1
198 1 23 MET H 1 23 MET HG3 . . 3.510 3.499 3.360 3.568 0.058 9 0 "[ . 1 . 2 .]" 1
199 1 23 MET H 1 24 TRP H . . 2.740 2.112 2.015 2.318 . 0 0 "[ . 1 . 2 .]" 1
200 1 23 MET H 1 25 ILE H . . 4.010 3.909 3.767 4.021 0.011 22 0 "[ . 1 . 2 .]" 1
201 1 23 MET QB 1 23 MET ME . . 3.220 2.370 1.919 2.925 . 0 0 "[ . 1 . 2 .]" 1
202 1 23 MET HB2 1 24 TRP H . . 3.410 3.122 3.065 3.206 . 0 0 "[ . 1 . 2 .]" 1
203 1 23 MET HB2 1 24 TRP HE1 . . 4.060 4.209 4.157 4.294 0.234 16 0 "[ . 1 . 2 .]" 1
204 1 23 MET HB3 1 24 TRP H . . 3.410 3.453 3.384 3.522 0.112 22 0 "[ . 1 . 2 .]" 1
205 1 23 MET HB3 1 24 TRP HE1 . . 4.060 4.062 3.696 4.131 0.071 15 0 "[ . 1 . 2 .]" 1
206 1 23 MET ME 1 23 MET QG . . 3.280 2.293 2.078 2.576 . 0 0 "[ . 1 . 2 .]" 1
207 1 24 TRP H 1 24 TRP HB2 . . 3.470 2.498 2.479 2.536 . 0 0 "[ . 1 . 2 .]" 1
208 1 24 TRP H 1 24 TRP HB3 . . 3.470 3.676 3.666 3.711 0.241 14 0 "[ . 1 . 2 .]" 1
209 1 24 TRP H 1 24 TRP HE1 . . 5.500 4.958 4.853 5.119 . 0 0 "[ . 1 . 2 .]" 1
210 1 24 TRP H 1 25 ILE H . . 3.130 2.742 2.639 2.895 . 0 0 "[ . 1 . 2 .]" 1
211 1 24 TRP H 1 26 ARG H . . 4.010 4.107 4.043 4.164 0.154 4 0 "[ . 1 . 2 .]" 1
212 1 24 TRP H 1 27 PRO QD . . 5.350 4.442 4.296 4.715 . 0 0 "[ . 1 . 2 .]" 1
213 1 24 TRP H 1 28 LEU QD . . 5.440 5.093 4.904 5.356 . 0 0 "[ . 1 . 2 .]" 1
214 1 24 TRP HA 1 46 VAL QG . . 4.390 2.971 2.829 3.122 . 0 0 "[ . 1 . 2 .]" 1
215 1 24 TRP QB 1 49 TRP HE1 . . 4.010 2.897 2.730 3.201 . 0 0 "[ . 1 . 2 .]" 1
216 1 24 TRP QB 1 50 VAL H . . 4.010 4.013 3.903 4.112 0.102 9 0 "[ . 1 . 2 .]" 1
217 1 24 TRP HB2 1 25 ILE H . . 3.820 4.066 3.999 4.164 0.344 22 0 "[ . 1 . 2 .]" 1
218 1 24 TRP HE1 1 49 TRP HE1 . . 3.670 3.711 3.483 3.784 0.114 16 0 "[ . 1 . 2 .]" 1
219 1 24 TRP HE1 1 49 TRP HH2 . . 5.440 4.691 4.592 5.063 . 0 0 "[ . 1 . 2 .]" 1
220 1 24 TRP HE1 1 49 TRP HZ2 . . 3.420 3.466 3.329 3.571 0.151 15 0 "[ . 1 . 2 .]" 1
221 1 24 TRP HE3 1 46 VAL QG . . 3.790 1.815 1.740 1.869 . 0 0 "[ . 1 . 2 .]" 1
222 1 24 TRP HZ3 1 46 VAL H . . 3.970 3.457 3.299 3.747 . 0 0 "[ . 1 . 2 .]" 1
223 1 24 TRP HZ3 1 46 VAL MG1 . . 3.710 3.585 3.445 4.058 0.348 16 0 "[ . 1 . 2 .]" 1
224 1 24 TRP HZ3 1 46 VAL QG . . 3.160 2.050 1.911 3.221 0.061 16 0 "[ . 1 . 2 .]" 1
225 1 24 TRP HZ3 1 46 VAL MG2 . . 3.710 2.067 1.920 3.379 . 0 0 "[ . 1 . 2 .]" 1
226 1 24 TRP HZ3 1 49 TRP H . . 5.020 5.050 5.003 5.091 0.071 7 0 "[ . 1 . 2 .]" 1
227 1 25 ILE H 1 25 ILE HB . . 3.140 2.930 2.808 3.138 . 0 0 "[ . 1 . 2 .]" 1
228 1 25 ILE H 1 26 ARG H . . 3.320 1.805 1.683 1.896 . 0 0 "[ . 1 . 2 .]" 1
229 1 25 ILE H 1 27 PRO QD . . 3.770 2.335 2.206 2.657 . 0 0 "[ . 1 . 2 .]" 1
230 1 25 ILE H 1 28 LEU H . . 4.430 4.088 4.018 4.183 . 0 0 "[ . 1 . 2 .]" 1
231 1 25 ILE H 1 28 LEU QD . . 3.810 3.855 3.581 3.943 0.133 14 0 "[ . 1 . 2 .]" 1
232 1 25 ILE H 1 28 LEU HG . . 4.000 3.555 3.157 4.117 0.117 23 0 "[ . 1 . 2 .]" 1
233 1 25 ILE HA 1 28 LEU H . . 3.720 3.320 3.237 3.399 . 0 0 "[ . 1 . 2 .]" 1
234 1 25 ILE HB 1 28 LEU QD . . 5.440 4.668 3.902 5.177 . 0 0 "[ . 1 . 2 .]" 1
235 1 25 ILE MD 1 28 LEU HG . . 3.830 3.316 2.685 3.864 0.034 18 0 "[ . 1 . 2 .]" 1
236 1 25 ILE MG 1 26 ARG H . . 3.680 2.949 1.997 3.586 . 0 0 "[ . 1 . 2 .]" 1
237 1 26 ARG H 1 26 ARG QB . . 2.980 2.134 2.077 2.176 . 0 0 "[ . 1 . 2 .]" 1
238 1 26 ARG H 1 26 ARG QD . . 4.050 4.029 3.903 4.324 0.274 18 0 "[ . 1 . 2 .]" 1
239 1 26 ARG H 1 26 ARG QG . . 3.420 2.968 2.809 3.790 0.370 18 0 "[ . 1 . 2 .]" 1
240 1 26 ARG H 1 27 PRO HD2 . . 3.610 2.209 2.097 2.291 . 0 0 "[ . 1 . 2 .]" 1
241 1 26 ARG H 1 27 PRO HD3 . . 3.610 3.240 3.122 3.352 . 0 0 "[ . 1 . 2 .]" 1
242 1 26 ARG H 1 28 LEU H . . 4.230 3.819 3.787 3.847 . 0 0 "[ . 1 . 2 .]" 1
243 1 26 ARG H 1 28 LEU HG . . 5.000 4.447 3.992 5.045 0.045 25 0 "[ . 1 . 2 .]" 1
244 1 26 ARG HA 1 28 LEU H . . 4.070 3.946 3.841 4.129 0.059 23 0 "[ . 1 . 2 .]" 1
245 1 26 ARG HE 1 26 ARG QG . . 3.870 2.362 2.075 3.002 . 0 0 "[ . 1 . 2 .]" 1
246 1 27 PRO QB 1 28 LEU H . . 3.460 3.556 3.442 3.613 0.153 9 0 "[ . 1 . 2 .]" 1
247 1 27 PRO QD 1 28 LEU H . . 3.390 2.756 2.669 2.807 . 0 0 "[ . 1 . 2 .]" 1
248 1 27 PRO QD 1 46 VAL QG . . 4.730 4.712 4.522 4.845 0.115 14 0 "[ . 1 . 2 .]" 1
249 1 27 PRO HD2 1 28 LEU H . . 3.960 2.815 2.719 2.871 . 0 0 "[ . 1 . 2 .]" 1
250 1 27 PRO HD3 1 28 LEU H . . 3.960 3.932 3.881 3.961 0.001 9 0 "[ . 1 . 2 .]" 1
251 1 27 PRO QG 1 28 LEU H . . 3.710 2.935 2.725 3.043 . 0 0 "[ . 1 . 2 .]" 1
252 1 27 PRO QG 1 42 PRO QD . . 5.500 4.042 3.529 4.285 . 0 0 "[ . 1 . 2 .]" 1
253 1 28 LEU H 1 28 LEU QB . . 2.850 2.433 2.229 2.593 . 0 0 "[ . 1 . 2 .]" 1
254 1 28 LEU H 1 28 LEU HG . . 3.150 2.821 2.385 3.431 0.281 25 0 "[ . 1 . 2 .]" 1
255 1 28 LEU H 1 39 LEU QD . . 5.440 4.304 4.014 4.766 . 0 0 "[ . 1 . 2 .]" 1
256 1 28 LEU H 1 41 ALA HA . . 5.500 5.453 5.126 5.543 0.043 16 0 "[ . 1 . 2 .]" 1
257 1 28 LEU HA 1 29 GLN H . . 2.900 2.387 2.282 2.525 . 0 0 "[ . 1 . 2 .]" 1
258 1 28 LEU QB 1 29 GLN H . . 3.540 2.437 2.151 2.672 . 0 0 "[ . 1 . 2 .]" 1
259 1 28 LEU QD 1 39 LEU QD . . 3.880 2.129 1.790 2.613 . 0 0 "[ . 1 . 2 .]" 1
260 1 28 LEU QD 1 41 ALA H . . 4.170 3.579 3.078 4.072 . 0 0 "[ . 1 . 2 .]" 1
261 1 28 LEU QD 1 43 ASN H . . 4.210 4.343 4.230 4.425 0.215 18 0 "[ . 1 . 2 .]" 1
262 1 28 LEU HG 1 39 LEU MD1 . . 5.500 3.949 2.988 5.760 0.260 18 0 "[ . 1 . 2 .]" 1
263 1 28 LEU HG 1 39 LEU MD2 . . 5.500 5.186 2.835 5.829 0.329 14 0 "[ . 1 . 2 .]" 1
264 1 29 GLN H 1 29 GLN HB2 . . 3.500 2.816 2.585 3.526 0.026 25 0 "[ . 1 . 2 .]" 1
265 1 29 GLN H 1 29 GLN QB . . 3.070 2.524 2.414 2.621 . 0 0 "[ . 1 . 2 .]" 1
266 1 29 GLN H 1 29 GLN HB3 . . 3.500 2.884 2.505 3.106 . 0 0 "[ . 1 . 2 .]" 1
267 1 29 GLN H 1 40 TYR H . . 3.710 2.504 2.145 2.754 . 0 0 "[ . 1 . 2 .]" 1
268 1 29 GLN H 1 40 TYR HA . . 4.190 4.370 4.284 4.473 0.283 20 0 "[ . 1 . 2 .]" 1
269 1 29 GLN H 1 41 ALA HA . . 4.900 4.046 3.855 4.241 . 0 0 "[ . 1 . 2 .]" 1
270 1 29 GLN HA 1 29 GLN HE21 . . 4.300 3.832 3.049 4.220 . 0 0 "[ . 1 . 2 .]" 1
271 1 29 GLN HA 1 29 GLN QE . . 3.710 3.603 3.007 3.796 0.086 25 0 "[ . 1 . 2 .]" 1
272 1 29 GLN HA 1 29 GLN HE22 . . 4.300 4.409 4.305 4.578 0.278 21 0 "[ . 1 . 2 .]" 1
273 1 29 GLN HA 1 30 ALA H . . 2.560 2.151 2.148 2.159 . 0 0 "[ . 1 . 2 .]" 1
274 1 29 GLN QE 1 29 GLN QG . . 3.050 2.561 2.069 2.648 . 0 0 "[ . 1 . 2 .]" 1
275 1 29 GLN QE 1 31 GLU H . . 4.160 3.725 2.995 4.166 0.006 21 0 "[ . 1 . 2 .]" 1
276 1 29 GLN QE 1 40 TYR H . . 3.790 3.949 3.893 4.224 0.434 25 0 "[ . 1 . 2 .]" 1
277 1 29 GLN HE22 1 29 GLN HG2 . . 4.010 4.067 3.757 4.089 0.079 5 0 "[ . 1 . 2 .]" 1
278 1 29 GLN HE22 1 29 GLN HG3 . . 4.010 3.709 3.440 4.072 0.062 21 0 "[ . 1 . 2 .]" 1
279 1 29 GLN QG 1 40 TYR QD . . 5.340 4.519 1.895 5.174 . 0 0 "[ . 1 . 2 .]" 1
280 1 30 ALA H 1 39 LEU MD1 . . 4.810 3.480 2.773 4.530 . 0 0 "[ . 1 . 2 .]" 1
281 1 30 ALA H 1 39 LEU QD . . 4.130 3.281 2.719 4.167 0.037 23 0 "[ . 1 . 2 .]" 1
282 1 30 ALA H 1 39 LEU MD2 . . 4.810 4.241 3.870 4.868 0.058 23 0 "[ . 1 . 2 .]" 1
283 1 30 ALA HA 1 31 GLU H . . 2.810 2.255 2.151 2.372 . 0 0 "[ . 1 . 2 .]" 1
284 1 30 ALA HA 1 38 ALA H . . 5.350 4.761 4.614 4.923 . 0 0 "[ . 1 . 2 .]" 1
285 1 30 ALA HA 1 39 LEU HA . . 4.920 2.202 1.923 2.505 . 0 0 "[ . 1 . 2 .]" 1
286 1 30 ALA HA 1 39 LEU QD . . 3.910 2.392 1.947 2.905 . 0 0 "[ . 1 . 2 .]" 1
287 1 30 ALA HA 1 40 TYR H . . 3.750 3.373 3.063 3.659 . 0 0 "[ . 1 . 2 .]" 1
288 1 30 ALA MB 1 31 GLU H . . 3.120 2.750 2.459 3.137 0.017 8 0 "[ . 1 . 2 .]" 1
289 1 30 ALA MB 1 38 ALA H . . 4.270 4.510 4.371 4.600 0.330 9 0 "[ . 1 . 2 .]" 1
290 1 30 ALA MB 1 39 LEU QD . . 3.500 1.953 1.681 2.352 . 0 0 "[ . 1 . 2 .]" 1
291 1 31 GLU H 1 31 GLU QB . . 3.130 2.553 2.285 2.734 . 0 0 "[ . 1 . 2 .]" 1
292 1 31 GLU H 1 31 GLU QG . . 3.410 3.525 3.463 3.651 0.241 8 0 "[ . 1 . 2 .]" 1
293 1 31 GLU H 1 32 LEU H . . 4.320 4.205 4.075 4.392 0.072 8 0 "[ . 1 . 2 .]" 1
294 1 31 GLU H 1 32 LEU HA . . 5.430 4.689 4.544 4.948 . 0 0 "[ . 1 . 2 .]" 1
295 1 31 GLU H 1 37 LEU QD . . 3.540 2.723 2.377 3.248 . 0 0 "[ . 1 . 2 .]" 1
296 1 31 GLU H 1 38 ALA H . . 3.590 2.979 2.792 3.131 . 0 0 "[ . 1 . 2 .]" 1
297 1 31 GLU H 1 38 ALA MB . . 3.510 3.287 2.838 3.595 0.085 11 0 "[ . 1 . 2 .]" 1
298 1 31 GLU H 1 39 LEU QD . . 3.650 3.626 3.261 3.799 0.149 25 0 "[ . 1 . 2 .]" 1
299 1 31 GLU HA 1 32 LEU H . . 2.950 2.144 2.139 2.176 . 0 0 "[ . 1 . 2 .]" 1
300 1 31 GLU HA 1 38 ALA H . . 5.500 4.844 4.594 4.991 . 0 0 "[ . 1 . 2 .]" 1
301 1 31 GLU QB 1 32 LEU H . . 3.510 3.646 3.556 3.712 0.202 17 0 "[ . 1 . 2 .]" 1
302 1 31 GLU QB 1 38 ALA H . . 3.940 3.919 3.579 4.144 0.204 25 0 "[ . 1 . 2 .]" 1
303 1 31 GLU QB 1 38 ALA MB . . 3.840 2.872 2.263 3.560 . 0 0 "[ . 1 . 2 .]" 1
304 1 31 GLU QG 1 32 LEU H . . 3.320 3.046 2.647 3.477 0.157 8 0 "[ . 1 . 2 .]" 1
305 1 31 GLU QG 1 38 ALA H . . 4.800 3.214 2.871 3.785 . 0 0 "[ . 1 . 2 .]" 1
306 1 31 GLU QG 1 38 ALA MB . . 4.020 2.518 1.965 3.590 . 0 0 "[ . 1 . 2 .]" 1
307 1 32 LEU H 1 32 LEU QB . . 3.400 2.113 2.077 2.148 . 0 0 "[ . 1 . 2 .]" 1
308 1 32 LEU H 1 32 LEU QD . . 3.960 3.196 2.757 3.710 . 0 0 "[ . 1 . 2 .]" 1
309 1 32 LEU H 1 32 LEU HG . . 4.080 3.768 3.570 3.948 . 0 0 "[ . 1 . 2 .]" 1
310 1 32 LEU H 1 33 SER H . . 4.540 4.503 4.388 4.575 0.035 25 0 "[ . 1 . 2 .]" 1
311 1 32 LEU HA 1 33 SER H . . 2.760 2.159 2.138 2.208 . 0 0 "[ . 1 . 2 .]" 1
312 1 32 LEU HA 1 36 THR H . . 3.950 4.094 4.018 4.275 0.325 18 0 "[ . 1 . 2 .]" 1
313 1 32 LEU HA 1 38 ALA H . . 3.600 3.733 3.661 3.833 0.233 24 0 "[ . 1 . 2 .]" 1
314 1 32 LEU QB 1 32 LEU QD . . 2.620 1.744 1.713 1.885 . 0 0 "[ . 1 . 2 .]" 1
315 1 32 LEU QB 1 33 SER H . . 3.860 3.333 3.182 3.552 . 0 0 "[ . 1 . 2 .]" 1
316 1 32 LEU QD 1 33 SER H . . 3.700 3.325 2.279 3.740 0.040 14 0 "[ . 1 . 2 .]" 1
317 1 32 LEU HG 1 33 SER H . . 3.730 3.900 3.829 3.976 0.246 8 0 "[ . 1 . 2 .]" 1
318 1 33 SER H 1 33 SER QB . . 3.390 2.385 2.236 2.724 . 0 0 "[ . 1 . 2 .]" 1
319 1 33 SER H 1 34 ASP H . . 4.190 2.728 2.465 4.293 0.103 8 0 "[ . 1 . 2 .]" 1
320 1 33 SER H 1 36 THR H . . 3.560 2.516 2.399 3.110 . 0 0 "[ . 1 . 2 .]" 1
321 1 33 SER H 1 37 LEU HA . . 3.610 3.639 3.409 3.754 0.144 12 0 "[ . 1 . 2 .]" 1
322 1 33 SER HA 1 34 ASP H . . 3.230 2.926 2.513 3.028 . 0 0 "[ . 1 . 2 .]" 1
323 1 33 SER QB 1 34 ASP H . . 3.640 3.691 1.965 3.926 0.286 17 0 "[ . 1 . 2 .]" 1
324 1 34 ASP H 1 34 ASP QB . . 3.610 3.141 2.109 3.483 . 0 0 "[ . 1 . 2 .]" 1
325 1 34 ASP H 1 35 ASN H . . 4.010 2.821 2.635 3.585 . 0 0 "[ . 1 . 2 .]" 1
326 1 34 ASP H 1 36 THR H . . 4.820 3.529 3.383 4.132 . 0 0 "[ . 1 . 2 .]" 1
327 1 34 ASP HA 1 35 ASN H . . 3.490 3.316 2.200 3.570 0.080 13 0 "[ . 1 . 2 .]" 1
328 1 34 ASP QB 1 35 ASN H . . 3.270 3.155 2.173 3.648 0.378 18 0 "[ . 1 . 2 .]" 1
329 1 35 ASN H 1 35 ASN HB2 . . 3.720 3.012 2.708 3.176 . 0 0 "[ . 1 . 2 .]" 1
330 1 35 ASN H 1 35 ASN QB . . 3.060 2.885 2.625 3.014 . 0 0 "[ . 1 . 2 .]" 1
331 1 35 ASN H 1 35 ASN HB3 . . 3.720 3.696 3.503 3.915 0.195 18 0 "[ . 1 . 2 .]" 1
332 1 35 ASN H 1 36 THR H . . 3.010 1.753 1.587 2.625 . 0 0 "[ . 1 . 2 .]" 1
333 1 35 ASN HA 1 36 THR H . . 3.110 3.040 2.808 3.100 . 0 0 "[ . 1 . 2 .]" 1
334 1 35 ASN QB 1 35 ASN QD . . 3.000 2.205 2.065 2.507 . 0 0 "[ . 1 . 2 .]" 1
335 1 35 ASN QB 1 36 THR H . . 3.430 3.675 3.614 3.851 0.421 8 0 "[ . 1 . 2 .]" 1
336 1 35 ASN HB2 1 35 ASN HD22 . . 4.060 4.036 3.894 4.096 0.036 21 0 "[ . 1 . 2 .]" 1
337 1 35 ASN HB2 1 36 THR H . . 4.040 4.144 4.081 4.408 0.368 8 0 "[ . 1 . 2 .]" 1
338 1 35 ASN HB3 1 35 ASN HD22 . . 4.060 3.497 3.435 3.655 . 0 0 "[ . 1 . 2 .]" 1
339 1 35 ASN HB3 1 36 THR H . . 4.040 4.109 3.920 4.247 0.207 8 0 "[ . 1 . 2 .]" 1
340 1 35 ASN QD 1 72 GLN H . . 4.590 4.174 3.717 4.591 0.001 8 0 "[ . 1 . 2 .]" 1
341 1 36 THR H 1 36 THR HB . . 3.060 3.136 3.077 3.249 0.189 13 0 "[ . 1 . 2 .]" 1
342 1 36 THR H 1 37 LEU H . . 3.810 4.021 3.922 4.157 0.347 13 0 "[ . 1 . 2 .]" 1
343 1 36 THR HA 1 37 LEU H . . 2.930 2.147 2.142 2.155 . 0 0 "[ . 1 . 2 .]" 1
344 1 36 THR HA 1 72 GLN H . . 3.080 2.252 1.943 2.853 . 0 0 "[ . 1 . 2 .]" 1
345 1 36 THR HB 1 37 LEU H . . 4.040 4.114 3.880 4.178 0.138 22 0 "[ . 1 . 2 .]" 1
346 1 36 THR MG 1 37 LEU H . . 2.960 2.774 2.521 3.057 0.097 14 0 "[ . 1 . 2 .]" 1
347 1 36 THR MG 1 72 GLN QB . . 3.250 2.777 2.051 3.563 0.313 13 0 "[ . 1 . 2 .]" 1
348 1 37 LEU H 1 37 LEU QB . . 3.130 2.219 2.146 2.316 . 0 0 "[ . 1 . 2 .]" 1
349 1 37 LEU H 1 37 LEU HG . . 3.980 4.117 3.953 4.316 0.336 19 0 "[ . 1 . 2 .]" 1
350 1 37 LEU H 1 38 ALA H . . 4.110 4.163 4.033 4.276 0.166 8 0 "[ . 1 . 2 .]" 1
351 1 37 LEU H 1 72 GLN H . . 3.690 3.633 3.144 3.903 0.213 15 0 "[ . 1 . 2 .]" 1
352 1 37 LEU H 1 73 LEU H . . 5.500 4.700 4.432 4.872 . 0 0 "[ . 1 . 2 .]" 1
353 1 37 LEU H 1 73 LEU HA . . 3.730 2.786 2.231 3.193 . 0 0 "[ . 1 . 2 .]" 1
354 1 37 LEU H 1 73 LEU QB . . 5.340 4.702 3.983 4.989 . 0 0 "[ . 1 . 2 .]" 1
355 1 37 LEU H 1 74 ARG H . . 3.920 4.046 3.929 4.130 0.210 18 0 "[ . 1 . 2 .]" 1
356 1 37 LEU HA 1 38 ALA H . . 2.800 2.189 2.155 2.237 . 0 0 "[ . 1 . 2 .]" 1
357 1 37 LEU QB 1 73 LEU HG . . 4.620 3.918 2.780 4.792 0.172 13 0 "[ . 1 . 2 .]" 1
358 1 37 LEU QD 1 38 ALA H . . 3.380 2.981 2.612 3.385 0.005 19 0 "[ . 1 . 2 .]" 1
359 1 37 LEU QD 1 39 LEU QD . . 2.800 2.501 1.961 2.835 0.035 1 0 "[ . 1 . 2 .]" 1
360 1 38 ALA H 1 38 ALA MB . . 2.900 2.240 2.111 2.324 . 0 0 "[ . 1 . 2 .]" 1
361 1 38 ALA H 1 39 LEU QD . . 5.440 4.499 4.313 4.762 . 0 0 "[ . 1 . 2 .]" 1
362 1 38 ALA H 1 74 ARG H . . 5.500 4.253 3.945 4.430 . 0 0 "[ . 1 . 2 .]" 1
363 1 38 ALA H 1 74 ARG QB . . 4.290 3.651 3.445 4.291 0.001 10 0 "[ . 1 . 2 .]" 1
364 1 38 ALA H 1 74 ARG QD . . 5.500 5.257 4.805 5.562 0.062 4 0 "[ . 1 . 2 .]" 1
365 1 38 ALA HA 1 39 LEU H . . 2.850 2.280 2.157 2.432 . 0 0 "[ . 1 . 2 .]" 1
366 1 38 ALA HA 1 74 ARG H . . 2.490 2.302 1.946 2.538 0.048 8 0 "[ . 1 . 2 .]" 1
367 1 38 ALA MB 1 39 LEU H . . 3.200 2.693 2.318 3.103 . 0 0 "[ . 1 . 2 .]" 1
368 1 38 ALA MB 1 40 TYR QE . . 3.990 3.095 2.248 3.995 0.005 5 0 "[ . 1 . 2 .]" 1
369 1 38 ALA MB 1 74 ARG H . . 3.630 3.764 3.551 3.914 0.284 3 0 "[ . 1 . 2 .]" 1
370 1 38 ALA MB 1 74 ARG QB . . 5.500 1.899 1.826 2.095 . 0 0 "[ . 1 . 2 .]" 1
371 1 39 LEU H 1 39 LEU HB2 . . 3.600 2.440 2.177 2.704 . 0 0 "[ . 1 . 2 .]" 1
372 1 39 LEU H 1 39 LEU QB . . 3.110 2.382 2.149 2.602 . 0 0 "[ . 1 . 2 .]" 1
373 1 39 LEU H 1 39 LEU HB3 . . 3.600 3.362 3.286 3.462 . 0 0 "[ . 1 . 2 .]" 1
374 1 39 LEU H 1 39 LEU MD1 . . 4.430 4.089 3.137 4.469 0.039 14 0 "[ . 1 . 2 .]" 1
375 1 39 LEU H 1 39 LEU MD2 . . 4.430 3.665 2.972 4.760 0.330 18 0 "[ . 1 . 2 .]" 1
376 1 39 LEU H 1 74 ARG H . . 3.730 3.844 3.725 3.946 0.216 18 0 "[ . 1 . 2 .]" 1
377 1 39 LEU H 1 74 ARG HA . . 4.550 4.729 4.669 4.836 0.286 10 0 "[ . 1 . 2 .]" 1
378 1 39 LEU H 1 74 ARG QB . . 3.750 3.367 3.132 3.737 . 0 0 "[ . 1 . 2 .]" 1
379 1 39 LEU H 1 75 PHE HA . . 3.710 2.310 1.968 2.522 . 0 0 "[ . 1 . 2 .]" 1
380 1 39 LEU H 1 76 GLU H . . 3.800 3.860 3.704 4.016 0.216 25 0 "[ . 1 . 2 .]" 1
381 1 39 LEU HA 1 40 TYR H . . 2.950 2.191 2.139 2.306 . 0 0 "[ . 1 . 2 .]" 1
382 1 39 LEU QB 1 40 TYR H . . 3.440 3.265 2.814 3.590 0.150 21 0 "[ . 1 . 2 .]" 1
383 1 39 LEU HB3 1 40 TYR H . . 3.920 3.376 2.865 3.761 . 0 0 "[ . 1 . 2 .]" 1
384 1 39 LEU QD 1 40 TYR H . . 3.410 2.532 1.954 3.628 0.218 25 0 "[ . 1 . 2 .]" 1
385 1 39 LEU QD 1 54 TYR QE . . 5.370 2.993 2.287 3.644 . 0 0 "[ . 1 . 2 .]" 1
386 1 39 LEU QD 1 74 ARG H . . 3.990 4.160 4.067 4.278 0.288 15 0 "[ . 1 . 2 .]" 1
387 1 39 LEU QD 1 75 PHE QD . . 3.890 3.674 3.093 4.081 0.191 17 0 "[ . 1 . 2 .]" 1
388 1 39 LEU MD1 1 40 TYR H . . 4.430 2.738 1.958 4.535 0.105 25 0 "[ . 1 . 2 .]" 1
389 1 39 LEU MD2 1 40 TYR H . . 4.430 3.967 3.440 4.227 . 0 0 "[ . 1 . 2 .]" 1
390 1 39 LEU HG 1 75 PHE QE . . 5.500 3.669 2.560 5.592 0.092 23 0 "[ . 1 . 2 .]" 1
391 1 40 TYR H 1 40 TYR QD . . 3.920 3.093 2.414 3.719 . 0 0 "[ . 1 . 2 .]" 1
392 1 40 TYR H 1 41 ALA H . . 4.240 4.277 4.077 4.387 0.147 14 0 "[ . 1 . 2 .]" 1
393 1 40 TYR H 1 41 ALA MB . . 5.370 4.880 4.693 5.107 . 0 0 "[ . 1 . 2 .]" 1
394 1 40 TYR HA 1 41 ALA H . . 2.860 2.145 2.137 2.185 . 0 0 "[ . 1 . 2 .]" 1
395 1 40 TYR HA 1 76 GLU H . . 3.450 3.175 2.702 3.453 0.003 16 0 "[ . 1 . 2 .]" 1
396 1 40 TYR HA 1 77 VAL H . . 5.040 5.072 4.887 5.214 0.174 15 0 "[ . 1 . 2 .]" 1
397 1 40 TYR QB 1 78 GLY H . . 4.060 3.399 2.839 4.102 0.042 21 0 "[ . 1 . 2 .]" 1
398 1 40 TYR QD 1 41 ALA H . . 4.460 4.212 3.542 4.538 0.078 20 0 "[ . 1 . 2 .]" 1
399 1 41 ALA H 1 41 ALA MB . . 3.060 2.383 2.205 2.513 . 0 0 "[ . 1 . 2 .]" 1
400 1 41 ALA H 1 42 PRO QD . . 4.500 4.366 4.355 4.377 . 0 0 "[ . 1 . 2 .]" 1
401 1 41 ALA H 1 47 LEU QD . . 3.760 2.328 1.958 2.670 . 0 0 "[ . 1 . 2 .]" 1
402 1 41 ALA H 1 76 GLU H . . 3.950 3.601 3.180 3.954 0.004 16 0 "[ . 1 . 2 .]" 1
403 1 41 ALA H 1 77 VAL HA . . 3.360 2.786 2.471 3.251 . 0 0 "[ . 1 . 2 .]" 1
404 1 41 ALA H 1 78 GLY H . . 3.560 2.748 2.246 3.542 . 0 0 "[ . 1 . 2 .]" 1
405 1 41 ALA HA 1 43 ASN H . . 4.010 4.010 3.962 4.056 0.046 16 0 "[ . 1 . 2 .]" 1
406 1 41 ALA MB 1 42 PRO QD . . 5.060 1.900 1.874 1.923 . 0 0 "[ . 1 . 2 .]" 1
407 1 41 ALA MB 1 42 PRO QG . . 4.220 3.465 3.388 3.535 . 0 0 "[ . 1 . 2 .]" 1
408 1 41 ALA MB 1 43 ASN H . . 2.750 2.240 2.145 2.430 . 0 0 "[ . 1 . 2 .]" 1
409 1 41 ALA MB 1 43 ASN HD21 . . 4.060 3.334 3.047 3.491 . 0 0 "[ . 1 . 2 .]" 1
410 1 41 ALA MB 1 43 ASN QD . . 3.410 3.155 2.874 3.308 . 0 0 "[ . 1 . 2 .]" 1
411 1 41 ALA MB 1 43 ASN HD22 . . 4.060 3.898 3.521 4.105 0.045 17 0 "[ . 1 . 2 .]" 1
412 1 41 ALA MB 1 47 LEU QD . . 3.860 1.851 1.786 2.105 . 0 0 "[ . 1 . 2 .]" 1
413 1 41 ALA MB 1 78 GLY H . . 3.840 4.028 3.910 4.107 0.267 3 0 "[ . 1 . 2 .]" 1
414 1 42 PRO QB 1 43 ASN H . . 3.540 3.512 3.425 3.587 0.047 17 0 "[ . 1 . 2 .]" 1
415 1 42 PRO QB 1 43 ASN QD . . 4.170 3.837 3.140 4.113 . 0 0 "[ . 1 . 2 .]" 1
416 1 42 PRO QB 1 46 VAL QG . . 4.660 4.225 3.760 4.639 . 0 0 "[ . 1 . 2 .]" 1
417 1 42 PRO QD 1 43 ASN H . . 3.740 2.716 2.658 2.779 . 0 0 "[ . 1 . 2 .]" 1
418 1 42 PRO QG 1 43 ASN H . . 3.040 2.849 2.694 2.992 . 0 0 "[ . 1 . 2 .]" 1
419 1 42 PRO QG 1 43 ASN HD21 . . 4.100 3.273 1.904 3.613 . 0 0 "[ . 1 . 2 .]" 1
420 1 42 PRO QG 1 43 ASN HD22 . . 4.100 2.488 2.062 3.224 . 0 0 "[ . 1 . 2 .]" 1
421 1 43 ASN H 1 43 ASN HB2 . . 3.880 3.786 3.702 4.020 0.140 21 0 "[ . 1 . 2 .]" 1
422 1 43 ASN H 1 43 ASN QB . . 3.400 3.338 3.074 3.406 0.006 17 0 "[ . 1 . 2 .]" 1
423 1 43 ASN H 1 43 ASN HB3 . . 3.880 3.727 3.205 3.879 . 0 0 "[ . 1 . 2 .]" 1
424 1 43 ASN H 1 47 LEU QD . . 5.440 4.051 3.745 4.577 . 0 0 "[ . 1 . 2 .]" 1
425 1 43 ASN QB 1 43 ASN QD . . 2.980 2.455 2.396 2.525 . 0 0 "[ . 1 . 2 .]" 1
426 1 43 ASN QB 1 44 ARG H . . 3.700 2.145 1.982 2.524 . 0 0 "[ . 1 . 2 .]" 1
427 1 43 ASN QB 1 45 PHE H . . 3.380 2.357 2.138 3.290 . 0 0 "[ . 1 . 2 .]" 1
428 1 43 ASN HB2 1 43 ASN HD22 . . 3.940 3.658 3.588 4.096 0.156 16 0 "[ . 1 . 2 .]" 1
429 1 43 ASN HB2 1 44 ARG H . . 4.350 2.179 1.993 2.591 . 0 0 "[ . 1 . 2 .]" 1
430 1 43 ASN HB3 1 43 ASN HD22 . . 3.940 4.061 3.640 4.098 0.158 20 0 "[ . 1 . 2 .]" 1
431 1 43 ASN HB3 1 44 ARG H . . 4.350 3.241 3.051 3.523 . 0 0 "[ . 1 . 2 .]" 1
432 1 43 ASN QD 1 45 PHE H . . 3.850 3.064 2.922 3.869 0.019 16 0 "[ . 1 . 2 .]" 1
433 1 43 ASN QD 1 47 LEU H . . 3.790 3.716 3.100 4.019 0.229 16 0 "[ . 1 . 2 .]" 1
434 1 43 ASN HD21 1 45 PHE H . . 4.410 3.177 2.981 4.656 0.246 16 0 "[ . 1 . 2 .]" 1
435 1 43 ASN HD22 1 45 PHE H . . 4.410 4.405 3.713 4.479 0.069 24 0 "[ . 1 . 2 .]" 1
436 1 44 ARG H 1 44 ARG HA . . 2.730 2.875 2.815 2.938 0.208 16 0 "[ . 1 . 2 .]" 1
437 1 44 ARG H 1 44 ARG QB . . 3.580 2.418 2.202 2.732 . 0 0 "[ . 1 . 2 .]" 1
438 1 44 ARG H 1 44 ARG QG . . 4.250 3.152 1.906 4.016 . 0 0 "[ . 1 . 2 .]" 1
439 1 44 ARG H 1 45 PHE H . . 3.960 2.401 2.059 2.607 . 0 0 "[ . 1 . 2 .]" 1
440 1 44 ARG HA 1 47 LEU H . . 4.670 3.376 3.236 3.580 . 0 0 "[ . 1 . 2 .]" 1
441 1 44 ARG QB 1 45 PHE H . . 3.230 2.885 2.535 3.070 . 0 0 "[ . 1 . 2 .]" 1
442 1 44 ARG QG 1 45 PHE H . . 3.630 3.666 3.604 3.805 0.175 14 0 "[ . 1 . 2 .]" 1
443 1 45 PHE H 1 45 PHE QB . . 2.590 2.170 2.049 2.531 . 0 0 "[ . 1 . 2 .]" 1
444 1 45 PHE H 1 46 VAL H . . 3.030 2.940 2.746 3.082 0.052 23 0 "[ . 1 . 2 .]" 1
445 1 45 PHE H 1 77 VAL QG . . 4.190 4.255 4.204 4.372 0.182 10 0 "[ . 1 . 2 .]" 1
446 1 45 PHE HA 1 46 VAL H . . 3.510 3.564 3.547 3.570 0.060 17 0 "[ . 1 . 2 .]" 1
447 1 45 PHE HA 1 47 LEU H . . 5.500 4.596 4.366 4.703 . 0 0 "[ . 1 . 2 .]" 1
448 1 45 PHE HA 1 48 ASP H . . 3.980 3.893 3.776 4.061 0.081 23 0 "[ . 1 . 2 .]" 1
449 1 45 PHE QB 1 46 VAL H . . 2.980 2.401 2.169 2.569 . 0 0 "[ . 1 . 2 .]" 1
450 1 46 VAL H 1 46 VAL HB . . 2.940 2.480 2.444 2.645 . 0 0 "[ . 1 . 2 .]" 1
451 1 46 VAL H 1 46 VAL QG . . 2.660 2.212 1.857 2.279 . 0 0 "[ . 1 . 2 .]" 1
452 1 46 VAL H 1 47 LEU H . . 3.190 2.813 2.700 2.932 . 0 0 "[ . 1 . 2 .]" 1
453 1 46 VAL H 1 47 LEU QD . . 5.440 4.586 4.304 5.471 0.031 23 0 "[ . 1 . 2 .]" 1
454 1 46 VAL H 1 48 ASP H . . 4.420 4.637 4.597 4.787 0.367 23 0 "[ . 1 . 2 .]" 1
455 1 46 VAL HA 1 50 VAL H . . 5.470 3.782 3.523 3.909 . 0 0 "[ . 1 . 2 .]" 1
456 1 46 VAL HB 1 47 LEU H . . 3.350 2.587 2.420 3.863 0.513 16 1 "[ . 1 .+ 2 .]" 1
457 1 47 LEU H 1 47 LEU QB . . 3.000 2.597 2.139 2.679 . 0 0 "[ . 1 . 2 .]" 1
458 1 47 LEU H 1 47 LEU MD1 . . 3.660 3.595 3.349 4.183 0.523 23 1 "[ . 1 . 2 + .]" 1
459 1 47 LEU H 1 47 LEU MD2 . . 3.660 2.913 2.571 4.311 0.651 21 1 "[ . 1 . 2+ .]" 1
460 1 47 LEU H 1 47 LEU HG . . 3.750 2.158 1.907 4.595 0.845 23 2 "[ . 1 . 2- + .]" 1
461 1 47 LEU H 1 48 ASP H . . 3.320 3.001 2.889 3.056 . 0 0 "[ . 1 . 2 .]" 1
462 1 47 LEU H 1 49 TRP H . . 4.510 4.290 3.977 4.420 . 0 0 "[ . 1 . 2 .]" 1
463 1 47 LEU HA 1 47 LEU MD1 . . 4.670 3.780 2.340 3.934 . 0 0 "[ . 1 . 2 .]" 1
464 1 47 LEU HA 1 47 LEU QD . . 3.520 2.062 1.966 2.687 . 0 0 "[ . 1 . 2 .]" 1
465 1 47 LEU HA 1 47 LEU MD2 . . 4.670 2.125 1.971 3.791 . 0 0 "[ . 1 . 2 .]" 1
466 1 47 LEU HA 1 50 VAL HB . . 5.500 3.018 2.741 3.337 . 0 0 "[ . 1 . 2 .]" 1
467 1 47 LEU HB2 1 48 ASP H . . 3.260 2.268 2.131 3.411 0.151 21 0 "[ . 1 . 2 .]" 1
468 1 47 LEU HB3 1 48 ASP H . . 3.260 3.328 2.051 3.464 0.204 9 0 "[ . 1 . 2 .]" 1
469 1 47 LEU QD 1 48 ASP H . . 3.600 3.753 3.101 3.866 0.266 20 0 "[ . 1 . 2 .]" 1
470 1 47 LEU QD 1 50 VAL H . . 5.440 5.028 4.316 5.472 0.032 21 0 "[ . 1 . 2 .]" 1
471 1 47 LEU QD 1 76 GLU H . . 3.380 1.945 1.836 2.182 . 0 0 "[ . 1 . 2 .]" 1
472 1 47 LEU QD 1 77 VAL H . . 3.470 2.859 2.615 3.492 0.022 23 0 "[ . 1 . 2 .]" 1
473 1 47 LEU MD1 1 48 ASP H . . 4.670 4.086 3.156 4.640 . 0 0 "[ . 1 . 2 .]" 1
474 1 47 LEU MD1 1 76 GLU H . . 3.980 2.997 2.019 3.839 . 0 0 "[ . 1 . 2 .]" 1
475 1 47 LEU MD2 1 48 ASP H . . 4.670 4.442 3.559 4.643 . 0 0 "[ . 1 . 2 .]" 1
476 1 47 LEU MD2 1 75 PHE H . . 5.110 4.957 4.834 5.128 0.018 20 0 "[ . 1 . 2 .]" 1
477 1 47 LEU MD2 1 76 GLU H . . 3.980 2.050 1.874 3.992 0.012 21 0 "[ . 1 . 2 .]" 1
478 1 47 LEU HG 1 48 ASP H . . 3.880 3.962 3.821 4.264 0.384 23 0 "[ . 1 . 2 .]" 1
479 1 48 ASP H 1 48 ASP HB2 . . 3.200 2.285 2.082 2.701 . 0 0 "[ . 1 . 2 .]" 1
480 1 48 ASP H 1 48 ASP HB3 . . 3.200 2.852 2.375 3.190 . 0 0 "[ . 1 . 2 .]" 1
481 1 48 ASP H 1 49 TRP H . . 3.510 2.851 2.690 2.912 . 0 0 "[ . 1 . 2 .]" 1
482 1 48 ASP HA 1 52 ASP H . . 4.610 4.666 4.555 4.736 0.126 9 0 "[ . 1 . 2 .]" 1
483 1 48 ASP QB 1 49 TRP H . . 3.210 2.469 2.323 2.682 . 0 0 "[ . 1 . 2 .]" 1
484 1 48 ASP HB2 1 49 TRP H . . 4.030 3.574 3.242 3.922 . 0 0 "[ . 1 . 2 .]" 1
485 1 48 ASP HB3 1 49 TRP H . . 4.030 2.523 2.350 2.783 . 0 0 "[ . 1 . 2 .]" 1
486 1 49 TRP H 1 49 TRP QB . . 2.860 2.231 2.212 2.253 . 0 0 "[ . 1 . 2 .]" 1
487 1 49 TRP H 1 49 TRP HD1 . . 5.500 4.743 4.647 4.917 . 0 0 "[ . 1 . 2 .]" 1
488 1 49 TRP H 1 50 VAL H . . 3.330 2.856 2.766 2.938 . 0 0 "[ . 1 . 2 .]" 1
489 1 49 TRP H 1 51 ARG H . . 4.150 4.229 4.106 4.305 0.155 2 0 "[ . 1 . 2 .]" 1
490 1 49 TRP HA 1 49 TRP HD1 . . 5.070 4.233 4.180 4.310 . 0 0 "[ . 1 . 2 .]" 1
491 1 49 TRP HA 1 52 ASP H . . 3.810 3.557 3.534 3.741 . 0 0 "[ . 1 . 2 .]" 1
492 1 49 TRP QB 1 50 VAL H . . 3.180 2.357 2.256 2.462 . 0 0 "[ . 1 . 2 .]" 1
493 1 49 TRP HE1 1 53 LYS QD . . 3.920 3.135 2.043 3.486 . 0 0 "[ . 1 . 2 .]" 1
494 1 49 TRP HE1 1 53 LYS HG2 . . 3.930 4.049 3.967 4.260 0.330 7 0 "[ . 1 . 2 .]" 1
495 1 49 TRP HH2 1 53 LYS QD . . 4.700 4.816 4.771 4.987 0.287 15 0 "[ . 1 . 2 .]" 1
496 1 49 TRP HZ2 1 53 LYS QD . . 5.340 3.851 2.957 4.044 . 0 0 "[ . 1 . 2 .]" 1
497 1 50 VAL H 1 50 VAL HB . . 3.050 2.621 2.116 2.752 . 0 0 "[ . 1 . 2 .]" 1
498 1 50 VAL H 1 51 ARG H . . 3.100 2.832 2.662 2.891 . 0 0 "[ . 1 . 2 .]" 1
499 1 50 VAL H 1 52 ASP H . . 4.190 3.905 3.866 3.997 . 0 0 "[ . 1 . 2 .]" 1
500 1 50 VAL H 1 75 PHE QE . . 5.500 5.316 4.526 5.791 0.291 9 0 "[ . 1 . 2 .]" 1
501 1 50 VAL HA 1 53 LYS H . . 3.750 3.612 3.242 3.813 0.063 12 0 "[ . 1 . 2 .]" 1
502 1 50 VAL HA 1 54 TYR H . . 3.560 3.134 2.753 3.295 . 0 0 "[ . 1 . 2 .]" 1
503 1 50 VAL HB 1 51 ARG H . . 2.950 2.483 2.353 3.098 0.148 9 0 "[ . 1 . 2 .]" 1
504 1 50 VAL QG 1 53 LYS QG . . 5.090 3.977 3.688 5.262 0.172 9 0 "[ . 1 . 2 .]" 1
505 1 50 VAL QG 1 54 TYR QD . . 3.710 2.705 2.544 2.851 . 0 0 "[ . 1 . 2 .]" 1
506 1 50 VAL QG 1 75 PHE QE . . 4.210 2.130 1.897 2.497 . 0 0 "[ . 1 . 2 .]" 1
507 1 51 ARG H 1 51 ARG HB2 . . 2.980 2.710 2.137 3.290 0.310 3 0 "[ . 1 . 2 .]" 1
508 1 51 ARG H 1 51 ARG HB3 . . 2.980 2.398 2.062 3.021 0.041 14 0 "[ . 1 . 2 .]" 1
509 1 51 ARG H 1 51 ARG QD . . 3.710 3.914 3.855 4.125 0.415 5 0 "[ . 1 . 2 .]" 1
510 1 51 ARG H 1 52 ASP H . . 3.170 2.627 2.608 2.659 . 0 0 "[ . 1 . 2 .]" 1
511 1 51 ARG H 1 75 PHE QD . . 3.910 4.097 3.994 4.304 0.394 8 0 "[ . 1 . 2 .]" 1
512 1 51 ARG H 1 75 PHE QE . . 4.150 3.449 3.044 3.831 . 0 0 "[ . 1 . 2 .]" 1
513 1 51 ARG HB3 1 52 ASP H . . 3.440 3.340 3.254 3.649 0.209 3 0 "[ . 1 . 2 .]" 1
514 1 52 ASP H 1 52 ASP HB2 . . 3.030 2.372 2.168 2.458 . 0 0 "[ . 1 . 2 .]" 1
515 1 52 ASP H 1 52 ASP QB . . 2.620 2.238 2.124 2.278 . 0 0 "[ . 1 . 2 .]" 1
516 1 52 ASP H 1 52 ASP HB3 . . 3.030 2.790 2.671 3.079 0.049 16 0 "[ . 1 . 2 .]" 1
517 1 52 ASP H 1 53 LYS H . . 3.090 2.589 2.338 2.764 . 0 0 "[ . 1 . 2 .]" 1
518 1 52 ASP H 1 54 TYR H . . 5.170 4.305 4.235 4.467 . 0 0 "[ . 1 . 2 .]" 1
519 1 52 ASP H 1 55 LEU H . . 4.100 4.241 4.189 4.302 0.202 7 0 "[ . 1 . 2 .]" 1
520 1 52 ASP HA 1 53 LYS H . . 3.470 3.563 3.553 3.569 0.099 12 0 "[ . 1 . 2 .]" 1
521 1 52 ASP QB 1 53 LYS H . . 3.110 2.303 2.056 2.489 . 0 0 "[ . 1 . 2 .]" 1
522 1 52 ASP QB 1 53 LYS QB . . 4.590 3.931 3.756 4.154 . 0 0 "[ . 1 . 2 .]" 1
523 1 52 ASP QB 1 53 LYS QG . . 5.180 3.236 2.194 3.508 . 0 0 "[ . 1 . 2 .]" 1
524 1 52 ASP HB2 1 53 LYS H . . 3.550 3.487 3.221 3.596 0.046 4 0 "[ . 1 . 2 .]" 1
525 1 52 ASP HB3 1 53 LYS H . . 3.550 2.341 2.070 2.586 . 0 0 "[ . 1 . 2 .]" 1
526 1 53 LYS H 1 53 LYS QB . . 3.670 2.977 2.411 3.018 . 0 0 "[ . 1 . 2 .]" 1
527 1 53 LYS H 1 53 LYS HD2 . . 3.900 2.391 1.913 4.120 0.220 19 0 "[ . 1 . 2 .]" 1
528 1 53 LYS H 1 53 LYS QD . . 3.420 2.211 1.883 3.692 0.272 19 0 "[ . 1 . 2 .]" 1
529 1 53 LYS H 1 53 LYS HD3 . . 3.900 2.859 1.901 4.169 0.269 19 0 "[ . 1 . 2 .]" 1
530 1 53 LYS H 1 53 LYS HG2 . . 3.740 2.092 1.819 4.074 0.334 9 0 "[ . 1 . 2 .]" 1
531 1 53 LYS H 1 53 LYS QG . . 3.220 1.913 1.773 3.189 . 0 0 "[ . 1 . 2 .]" 1
532 1 53 LYS H 1 53 LYS HG3 . . 3.740 3.236 1.833 3.410 . 0 0 "[ . 1 . 2 .]" 1
533 1 53 LYS H 1 54 TYR H . . 3.020 2.495 2.417 2.829 . 0 0 "[ . 1 . 2 .]" 1
534 1 53 LYS H 1 55 LEU H . . 3.810 3.877 3.816 3.977 0.167 9 0 "[ . 1 . 2 .]" 1
535 1 53 LYS QB 1 54 TYR H . . 3.480 2.641 1.902 2.796 . 0 0 "[ . 1 . 2 .]" 1
536 1 53 LYS QB 1 55 LEU H . . 4.830 4.954 4.508 5.040 0.210 17 0 "[ . 1 . 2 .]" 1
537 1 53 LYS HB2 1 55 LEU H . . 5.500 5.265 4.782 5.367 . 0 0 "[ . 1 . 2 .]" 1
538 1 53 LYS HD2 1 54 TYR H . . 3.980 4.066 3.962 4.115 0.135 17 0 "[ . 1 . 2 .]" 1
539 1 53 LYS HD3 1 54 TYR H . . 3.980 3.921 2.236 4.168 0.188 12 0 "[ . 1 . 2 .]" 1
540 1 53 LYS QG 1 54 TYR H . . 3.950 2.023 1.741 4.025 0.075 9 0 "[ . 1 . 2 .]" 1
541 1 54 TYR H 1 54 TYR HB2 . . 3.470 2.204 2.157 2.332 . 0 0 "[ . 1 . 2 .]" 1
542 1 54 TYR H 1 54 TYR HB3 . . 3.470 3.001 2.822 3.086 . 0 0 "[ . 1 . 2 .]" 1
543 1 54 TYR H 1 54 TYR QD . . 4.010 3.847 3.707 4.098 0.088 20 0 "[ . 1 . 2 .]" 1
544 1 54 TYR H 1 55 LEU H . . 3.010 3.095 3.064 3.131 0.121 15 0 "[ . 1 . 2 .]" 1
545 1 54 TYR HA 1 54 TYR QD . . 3.990 2.703 2.508 2.888 . 0 0 "[ . 1 . 2 .]" 1
546 1 54 TYR HA 1 56 ASN H . . 5.070 5.025 4.993 5.061 . 0 0 "[ . 1 . 2 .]" 1
547 1 54 TYR HA 1 57 ASN H . . 3.870 3.731 3.664 3.804 . 0 0 "[ . 1 . 2 .]" 1
548 1 54 TYR QB 1 55 LEU H . . 3.410 2.256 2.193 2.317 . 0 0 "[ . 1 . 2 .]" 1
549 1 54 TYR QB 1 58 ILE MD . . 3.960 4.143 4.049 4.263 0.303 20 0 "[ . 1 . 2 .]" 1
550 1 54 TYR HB2 1 55 LEU H . . 4.060 3.453 3.339 3.631 . 0 0 "[ . 1 . 2 .]" 1
551 1 54 TYR HB3 1 55 LEU H . . 4.060 2.287 2.221 2.359 . 0 0 "[ . 1 . 2 .]" 1
552 1 54 TYR QD 1 55 LEU H . . 4.290 3.801 3.358 4.012 . 0 0 "[ . 1 . 2 .]" 1
553 1 54 TYR QD 1 58 ILE MD . . 4.180 3.176 3.102 3.264 . 0 0 "[ . 1 . 2 .]" 1
554 1 54 TYR QE 1 58 ILE MD . . 5.500 2.679 2.568 2.759 . 0 0 "[ . 1 . 2 .]" 1
555 1 54 TYR QE 1 58 ILE MG . . 3.770 3.724 3.482 3.831 0.061 3 0 "[ . 1 . 2 .]" 1
556 1 55 LEU H 1 55 LEU HB2 . . 3.040 2.251 2.152 2.419 . 0 0 "[ . 1 . 2 .]" 1
557 1 55 LEU H 1 55 LEU HB3 . . 3.040 2.829 2.626 2.967 . 0 0 "[ . 1 . 2 .]" 1
558 1 55 LEU H 1 56 ASN H . . 3.460 3.170 3.121 3.232 . 0 0 "[ . 1 . 2 .]" 1
559 1 55 LEU H 1 57 ASN H . . 5.220 4.411 4.291 4.543 . 0 0 "[ . 1 . 2 .]" 1
560 1 55 LEU HA 1 55 LEU QD . . 3.780 2.782 2.261 3.093 . 0 0 "[ . 1 . 2 .]" 1
561 1 55 LEU HA 1 55 LEU HG . . 4.240 2.476 2.382 2.623 . 0 0 "[ . 1 . 2 .]" 1
562 1 55 LEU HA 1 57 ASN H . . 4.660 4.560 4.393 4.698 0.038 4 0 "[ . 1 . 2 .]" 1
563 1 55 LEU HA 1 58 ILE H . . 3.680 3.699 3.478 3.832 0.152 15 0 "[ . 1 . 2 .]" 1
564 1 55 LEU HA 1 59 ASN H . . 3.750 3.637 3.465 3.781 0.031 17 0 "[ . 1 . 2 .]" 1
565 1 55 LEU QB 1 56 ASN H . . 2.940 1.969 1.934 2.021 . 0 0 "[ . 1 . 2 .]" 1
566 1 55 LEU QB 1 73 LEU QD . . 4.780 3.394 2.931 4.784 0.004 16 0 "[ . 1 . 2 .]" 1
567 1 55 LEU HB2 1 56 ASN H . . 3.370 3.409 3.267 3.561 0.191 14 0 "[ . 1 . 2 .]" 1
568 1 55 LEU HB3 1 56 ASN H . . 3.370 1.981 1.948 2.032 . 0 0 "[ . 1 . 2 .]" 1
569 1 55 LEU QD 1 56 ASN H . . 3.540 3.100 2.465 3.555 0.015 18 0 "[ . 1 . 2 .]" 1
570 1 55 LEU QD 1 59 ASN QD . . 3.310 2.697 1.886 3.145 . 0 0 "[ . 1 . 2 .]" 1
571 1 55 LEU HG 1 56 ASN H . . 3.820 3.960 3.879 4.052 0.232 13 0 "[ . 1 . 2 .]" 1
572 1 55 LEU HG 1 59 ASN HD21 . . 4.510 2.876 2.164 4.320 . 0 0 "[ . 1 . 2 .]" 1
573 1 55 LEU HG 1 59 ASN QD . . 3.960 2.333 1.929 2.746 . 0 0 "[ . 1 . 2 .]" 1
574 1 55 LEU HG 1 59 ASN HD22 . . 4.510 2.599 1.938 3.113 . 0 0 "[ . 1 . 2 .]" 1
575 1 55 LEU HG 1 73 LEU H . . 5.500 5.642 5.569 5.749 0.249 21 0 "[ . 1 . 2 .]" 1
576 1 56 ASN H 1 56 ASN QB . . 2.750 2.183 2.076 2.448 . 0 0 "[ . 1 . 2 .]" 1
577 1 56 ASN H 1 56 ASN HD21 . . 5.500 3.382 2.345 4.989 . 0 0 "[ . 1 . 2 .]" 1
578 1 56 ASN H 1 56 ASN HD22 . . 5.500 4.617 3.883 5.565 0.065 13 0 "[ . 1 . 2 .]" 1
579 1 56 ASN H 1 57 ASN H . . 3.350 3.028 2.972 3.086 . 0 0 "[ . 1 . 2 .]" 1
580 1 56 ASN QB 1 56 ASN HD22 . . 3.560 3.327 3.213 3.431 . 0 0 "[ . 1 . 2 .]" 1
581 1 56 ASN QB 1 57 ASN H . . 3.480 2.514 2.241 2.624 . 0 0 "[ . 1 . 2 .]" 1
582 1 56 ASN QD 1 57 ASN H . . 4.960 4.380 2.229 4.949 . 0 0 "[ . 1 . 2 .]" 1
583 1 57 ASN H 1 57 ASN QB . . 2.970 2.408 2.198 2.678 . 0 0 "[ . 1 . 2 .]" 1
584 1 57 ASN H 1 57 ASN HD21 . . 4.180 2.595 1.905 3.860 . 0 0 "[ . 1 . 2 .]" 1
585 1 57 ASN H 1 57 ASN QD . . 3.620 2.509 1.897 3.533 . 0 0 "[ . 1 . 2 .]" 1
586 1 57 ASN H 1 57 ASN HD22 . . 4.180 3.608 3.284 4.096 . 0 0 "[ . 1 . 2 .]" 1
587 1 57 ASN H 1 58 ILE H . . 3.250 2.895 2.757 2.957 . 0 0 "[ . 1 . 2 .]" 1
588 1 57 ASN H 1 59 ASN H . . 4.410 4.417 4.351 4.475 0.065 17 0 "[ . 1 . 2 .]" 1
589 1 57 ASN QB 1 57 ASN QD . . 3.040 2.185 2.076 2.442 . 0 0 "[ . 1 . 2 .]" 1
590 1 57 ASN QB 1 57 ASN HD22 . . 3.590 3.290 3.243 3.390 . 0 0 "[ . 1 . 2 .]" 1
591 1 57 ASN QB 1 58 ILE H . . 3.160 2.236 2.124 2.395 . 0 0 "[ . 1 . 2 .]" 1
592 1 58 ILE H 1 58 ILE HB . . 3.040 2.713 2.685 2.735 . 0 0 "[ . 1 . 2 .]" 1
593 1 58 ILE H 1 58 ILE MD . . 3.080 2.047 1.997 2.118 . 0 0 "[ . 1 . 2 .]" 1
594 1 58 ILE H 1 58 ILE QG . . 3.150 2.196 2.114 2.258 . 0 0 "[ . 1 . 2 .]" 1
595 1 58 ILE H 1 59 ASN H . . 3.190 2.972 2.905 3.014 . 0 0 "[ . 1 . 2 .]" 1
596 1 58 ILE HA 1 58 ILE MD . . 3.700 1.917 1.895 2.025 . 0 0 "[ . 1 . 2 .]" 1
597 1 58 ILE HA 1 61 LEU H . . 3.690 3.511 3.440 3.615 . 0 0 "[ . 1 . 2 .]" 1
598 1 58 ILE HB 1 59 ASN H . . 3.150 2.244 2.178 2.341 . 0 0 "[ . 1 . 2 .]" 1
599 1 58 ILE QG 1 59 ASN H . . 3.770 3.784 3.732 3.870 0.100 4 0 "[ . 1 . 2 .]" 1
600 1 58 ILE MG 1 59 ASN H . . 3.280 3.331 3.260 3.427 0.147 16 0 "[ . 1 . 2 .]" 1
601 1 58 ILE MG 1 61 LEU H . . 5.450 4.465 4.402 4.599 . 0 0 "[ . 1 . 2 .]" 1
602 1 59 ASN H 1 59 ASN QB . . 2.680 2.279 2.143 2.705 0.025 8 0 "[ . 1 . 2 .]" 1
603 1 59 ASN H 1 59 ASN HD21 . . 4.050 2.444 1.917 4.056 0.006 2 0 "[ . 1 . 2 .]" 1
604 1 59 ASN H 1 59 ASN HD22 . . 4.050 3.835 3.267 4.069 0.019 15 0 "[ . 1 . 2 .]" 1
605 1 59 ASN H 1 60 GLY H . . 3.240 3.017 2.956 3.048 . 0 0 "[ . 1 . 2 .]" 1
606 1 59 ASN H 1 61 LEU H . . 4.140 4.208 4.173 4.251 0.111 24 0 "[ . 1 . 2 .]" 1
607 1 59 ASN H 1 73 LEU QD . . 3.540 3.527 2.870 3.709 0.169 8 0 "[ . 1 . 2 .]" 1
608 1 59 ASN HA 1 59 ASN QD . . 4.220 2.706 1.961 4.095 . 0 0 "[ . 1 . 2 .]" 1
609 1 59 ASN HA 1 60 GLY H . . 3.410 3.571 3.563 3.573 0.163 20 0 "[ . 1 . 2 .]" 1
610 1 59 ASN HA 1 61 LEU H . . 4.140 4.283 4.249 4.318 0.178 4 0 "[ . 1 . 2 .]" 1
611 1 59 ASN HA 1 62 LEU H . . 4.020 3.569 3.506 3.766 . 0 0 "[ . 1 . 2 .]" 1
612 1 59 ASN HA 1 63 THR H . . 4.120 4.075 4.015 4.135 0.015 7 0 "[ . 1 . 2 .]" 1
613 1 59 ASN QB 1 59 ASN QD . . 2.990 2.440 2.199 2.581 . 0 0 "[ . 1 . 2 .]" 1
614 1 59 ASN QB 1 59 ASN HD22 . . 3.440 3.382 3.213 3.441 0.001 8 0 "[ . 1 . 2 .]" 1
615 1 59 ASN QB 1 60 GLY H . . 3.160 2.393 2.181 2.544 . 0 0 "[ . 1 . 2 .]" 1
616 1 59 ASN QD 1 73 LEU QD . . 4.440 3.079 1.786 4.424 . 0 0 "[ . 1 . 2 .]" 1
617 1 60 GLY H 1 61 LEU H . . 3.320 2.825 2.792 2.867 . 0 0 "[ . 1 . 2 .]" 1
618 1 60 GLY QA 1 61 LEU H . . 2.870 2.742 2.729 2.752 . 0 0 "[ . 1 . 2 .]" 1
619 1 60 GLY QA 1 62 LEU H . . 4.580 4.395 4.323 4.578 . 0 0 "[ . 1 . 2 .]" 1
620 1 60 GLY HA2 1 61 LEU H . . 3.540 3.528 3.524 3.534 . 0 0 "[ . 1 . 2 .]" 1
621 1 60 GLY HA3 1 61 LEU H . . 3.540 2.859 2.840 2.873 . 0 0 "[ . 1 . 2 .]" 1
622 1 61 LEU H 1 61 LEU HB2 . . 3.050 2.783 2.713 2.819 . 0 0 "[ . 1 . 2 .]" 1
623 1 61 LEU H 1 61 LEU HB3 . . 3.050 2.287 2.251 2.350 . 0 0 "[ . 1 . 2 .]" 1
624 1 61 LEU H 1 61 LEU MD1 . . 4.430 4.277 4.257 4.302 . 0 0 "[ . 1 . 2 .]" 1
625 1 61 LEU H 1 61 LEU MD2 . . 4.430 3.803 3.733 3.918 . 0 0 "[ . 1 . 2 .]" 1
626 1 61 LEU H 1 62 LEU H . . 3.180 2.635 2.588 2.710 . 0 0 "[ . 1 . 2 .]" 1
627 1 61 LEU H 1 63 THR H . . 4.210 4.226 3.914 4.284 0.074 17 0 "[ . 1 . 2 .]" 1
628 1 61 LEU QB 1 62 LEU H . . 3.310 2.451 2.270 2.519 . 0 0 "[ . 1 . 2 .]" 1
629 1 61 LEU QD 1 62 LEU H . . 3.010 2.478 2.386 2.618 . 0 0 "[ . 1 . 2 .]" 1
630 1 61 LEU QD 1 65 PHE H . . 3.670 3.880 3.801 3.925 0.255 13 0 "[ . 1 . 2 .]" 1
631 1 61 LEU MD1 1 62 LEU H . . 4.510 4.414 4.320 4.473 . 0 0 "[ . 1 . 2 .]" 1
632 1 61 LEU MD2 1 62 LEU H . . 4.510 2.491 2.397 2.636 . 0 0 "[ . 1 . 2 .]" 1
633 1 61 LEU MD2 1 65 PHE H . . 4.590 3.947 3.860 3.997 . 0 0 "[ . 1 . 2 .]" 1
634 1 61 LEU HG 1 65 PHE H . . 4.270 4.401 4.353 4.441 0.171 22 0 "[ . 1 . 2 .]" 1
635 1 62 LEU H 1 62 LEU QB . . 2.870 2.358 2.166 2.603 . 0 0 "[ . 1 . 2 .]" 1
636 1 62 LEU H 1 63 THR H . . 3.110 2.928 2.860 2.956 . 0 0 "[ . 1 . 2 .]" 1
637 1 62 LEU HA 1 62 LEU QD . . 3.550 2.249 1.970 2.562 . 0 0 "[ . 1 . 2 .]" 1
638 1 62 LEU QB 1 63 THR H . . 3.130 2.436 2.303 2.744 . 0 0 "[ . 1 . 2 .]" 1
639 1 62 LEU QB 1 71 PRO QG . . 4.790 4.100 3.274 4.560 . 0 0 "[ . 1 . 2 .]" 1
640 1 62 LEU HB2 1 63 THR H . . 3.580 2.536 2.334 2.899 . 0 0 "[ . 1 . 2 .]" 1
641 1 62 LEU HB2 1 71 PRO QG . . 5.500 5.221 4.337 5.630 0.130 16 0 "[ . 1 . 2 .]" 1
642 1 62 LEU HB3 1 63 THR H . . 3.580 3.269 2.998 3.552 . 0 0 "[ . 1 . 2 .]" 1
643 1 62 LEU HB3 1 71 PRO QG . . 5.500 4.306 3.354 4.881 . 0 0 "[ . 1 . 2 .]" 1
644 1 62 LEU QD 1 63 THR H . . 3.720 3.827 3.749 3.986 0.266 1 0 "[ . 1 . 2 .]" 1
645 1 62 LEU QD 1 72 GLN H . . 3.630 3.671 3.526 3.761 0.131 11 0 "[ . 1 . 2 .]" 1
646 1 63 THR H 1 63 THR HB . . 3.050 2.394 2.364 2.433 . 0 0 "[ . 1 . 2 .]" 1
647 1 63 THR H 1 64 SER H . . 3.050 2.662 2.320 2.759 . 0 0 "[ . 1 . 2 .]" 1
648 1 63 THR HA 1 66 CYS H . . 3.560 3.477 3.441 3.546 . 0 0 "[ . 1 . 2 .]" 1
649 1 63 THR HB 1 64 SER H . . 2.930 2.576 2.484 2.759 . 0 0 "[ . 1 . 2 .]" 1
650 1 63 THR MG 1 64 SER H . . 3.620 3.149 3.077 3.427 . 0 0 "[ . 1 . 2 .]" 1
651 1 63 THR MG 1 65 PHE H . . 4.300 4.509 4.491 4.542 0.242 8 0 "[ . 1 . 2 .]" 1
652 1 63 THR MG 1 67 GLY H . . 3.840 3.877 3.837 3.921 0.081 10 0 "[ . 1 . 2 .]" 1
653 1 63 THR MG 1 68 ALA H . . 5.500 3.932 3.537 5.270 . 0 0 "[ . 1 . 2 .]" 1
654 1 64 SER H 1 64 SER QB . . 2.910 2.248 2.200 2.392 . 0 0 "[ . 1 . 2 .]" 1
655 1 64 SER H 1 65 PHE H . . 3.250 2.584 2.558 2.598 . 0 0 "[ . 1 . 2 .]" 1
656 1 64 SER H 1 66 CYS H . . 4.320 4.421 4.369 4.537 0.217 18 0 "[ . 1 . 2 .]" 1
657 1 64 SER HA 1 65 PHE H . . 3.370 3.426 3.405 3.435 0.065 16 0 "[ . 1 . 2 .]" 1
658 1 64 SER QB 1 65 PHE H . . 3.200 3.048 3.004 3.094 . 0 0 "[ . 1 . 2 .]" 1
659 1 65 PHE H 1 65 PHE HB2 . . 3.240 2.431 2.264 2.827 . 0 0 "[ . 1 . 2 .]" 1
660 1 65 PHE H 1 65 PHE HB3 . . 3.240 2.742 2.354 2.929 . 0 0 "[ . 1 . 2 .]" 1
661 1 65 PHE H 1 65 PHE QD . . 4.040 4.075 3.989 4.137 0.097 12 0 "[ . 1 . 2 .]" 1
662 1 65 PHE H 1 66 CYS H . . 3.110 2.477 2.448 2.541 . 0 0 "[ . 1 . 2 .]" 1
663 1 65 PHE H 1 67 GLY H . . 3.930 3.984 3.949 4.054 0.124 12 0 "[ . 1 . 2 .]" 1
664 1 65 PHE QB 1 66 CYS H . . 3.300 2.473 2.397 2.512 . 0 0 "[ . 1 . 2 .]" 1
665 1 65 PHE HB2 1 66 CYS H . . 3.820 3.610 3.387 3.907 0.087 9 0 "[ . 1 . 2 .]" 1
666 1 65 PHE HB3 1 66 CYS H . . 3.820 2.520 2.452 2.558 . 0 0 "[ . 1 . 2 .]" 1
667 1 65 PHE QD 1 66 CYS QB . . 4.800 3.308 1.986 3.697 . 0 0 "[ . 1 . 2 .]" 1
668 1 66 CYS H 1 66 CYS HB2 . . 3.650 2.654 2.569 2.958 . 0 0 "[ . 1 . 2 .]" 1
669 1 66 CYS H 1 66 CYS QB . . 3.170 2.556 2.499 2.646 . 0 0 "[ . 1 . 2 .]" 1
670 1 66 CYS H 1 66 CYS HB3 . . 3.650 3.393 2.982 3.611 . 0 0 "[ . 1 . 2 .]" 1
671 1 66 CYS H 1 67 GLY H . . 3.030 2.052 2.029 2.102 . 0 0 "[ . 1 . 2 .]" 1
672 1 66 CYS H 1 67 GLY QA . . 3.720 3.720 3.699 3.753 0.033 20 0 "[ . 1 . 2 .]" 1
673 1 66 CYS H 1 70 ALA MB . . 5.010 3.324 2.832 4.801 . 0 0 "[ . 1 . 2 .]" 1
674 1 66 CYS QB 1 70 ALA MB . . 4.400 2.850 1.992 4.437 0.037 12 0 "[ . 1 . 2 .]" 1
675 1 66 CYS HB2 1 67 GLY H . . 4.030 3.027 2.757 3.514 . 0 0 "[ . 1 . 2 .]" 1
676 1 66 CYS HB3 1 67 GLY H . . 4.030 2.751 2.349 3.024 . 0 0 "[ . 1 . 2 .]" 1
677 1 67 GLY H 1 68 ALA H . . 3.190 3.254 3.184 3.482 0.292 24 0 "[ . 1 . 2 .]" 1
678 1 67 GLY QA 1 68 ALA H . . 2.950 2.286 2.196 2.713 . 0 0 "[ . 1 . 2 .]" 1
679 1 67 GLY QA 1 69 ASP H . . 3.320 3.420 3.394 3.554 0.234 18 0 "[ . 1 . 2 .]" 1
680 1 67 GLY HA2 1 68 ALA H . . 3.380 2.498 2.221 3.569 0.189 1 0 "[ . 1 . 2 .]" 1
681 1 67 GLY HA2 1 69 ASP H . . 3.820 3.715 3.657 3.950 0.130 18 0 "[ . 1 . 2 .]" 1
682 1 67 GLY HA3 1 68 ALA H . . 3.380 3.304 2.556 3.469 0.089 7 0 "[ . 1 . 2 .]" 1
683 1 67 GLY HA3 1 69 ASP H . . 3.820 4.004 3.969 4.164 0.344 15 0 "[ . 1 . 2 .]" 1
684 1 68 ALA H 1 68 ALA MB . . 3.030 2.809 2.243 2.952 . 0 0 "[ . 1 . 2 .]" 1
685 1 68 ALA H 1 69 ASP H . . 3.510 2.643 2.509 2.673 . 0 0 "[ . 1 . 2 .]" 1
686 1 68 ALA H 1 70 ALA H . . 4.010 3.534 3.366 4.354 0.344 12 0 "[ . 1 . 2 .]" 1
687 1 68 ALA HA 1 69 ASP H . . 3.280 3.301 3.254 3.348 0.068 15 0 "[ . 1 . 2 .]" 1
688 1 68 ALA MB 1 69 ASP H . . 3.070 3.240 3.148 3.310 0.240 18 0 "[ . 1 . 2 .]" 1
689 1 69 ASP H 1 69 ASP HA . . 2.920 2.947 2.941 2.948 0.028 13 0 "[ . 1 . 2 .]" 1
690 1 69 ASP H 1 69 ASP HB2 . . 2.930 2.604 2.548 2.921 . 0 0 "[ . 1 . 2 .]" 1
691 1 69 ASP H 1 69 ASP QB . . 2.550 2.460 2.423 2.607 0.057 15 0 "[ . 1 . 2 .]" 1
692 1 69 ASP H 1 69 ASP HB3 . . 2.930 3.040 2.930 3.153 0.223 24 0 "[ . 1 . 2 .]" 1
693 1 69 ASP H 1 70 ALA H . . 2.910 1.931 1.842 2.182 . 0 0 "[ . 1 . 2 .]" 1
694 1 69 ASP H 1 70 ALA MB . . 3.630 3.550 3.488 3.677 0.047 18 0 "[ . 1 . 2 .]" 1
695 1 69 ASP HA 1 70 ALA H . . 3.230 3.424 3.308 3.568 0.338 12 0 "[ . 1 . 2 .]" 1
696 1 69 ASP HB2 1 70 ALA H . . 3.650 3.753 3.432 3.926 0.276 24 0 "[ . 1 . 2 .]" 1
697 1 69 ASP HB3 1 70 ALA H . . 3.650 3.195 2.253 3.584 . 0 0 "[ . 1 . 2 .]" 1
698 1 70 ALA H 1 70 ALA MB . . 2.740 2.125 2.026 2.700 . 0 0 "[ . 1 . 2 .]" 1
699 1 70 ALA MB 1 71 PRO QD . . 4.180 2.183 1.863 3.375 . 0 0 "[ . 1 . 2 .]" 1
700 1 71 PRO HA 1 72 GLN H . . 2.790 2.614 2.423 2.717 . 0 0 "[ . 1 . 2 .]" 1
701 1 72 GLN H 1 72 GLN QB . . 2.900 2.669 2.372 3.049 0.149 9 0 "[ . 1 . 2 .]" 1
702 1 72 GLN H 1 72 GLN QG . . 2.980 2.778 1.923 3.220 0.240 6 0 "[ . 1 . 2 .]" 1
703 1 72 GLN HA 1 73 LEU H . . 2.570 2.472 2.238 2.582 0.012 16 0 "[ . 1 . 2 .]" 1
704 1 72 GLN QB 1 73 LEU H . . 2.900 2.299 2.034 2.965 0.065 14 0 "[ . 1 . 2 .]" 1
705 1 72 GLN QG 1 73 LEU H . . 3.410 3.461 2.918 3.642 0.232 6 0 "[ . 1 . 2 .]" 1
706 1 73 LEU H 1 73 LEU QB . . 2.660 2.390 2.220 2.911 0.251 13 0 "[ . 1 . 2 .]" 1
707 1 73 LEU H 1 73 LEU HG . . 4.340 4.043 1.911 4.702 0.362 24 0 "[ . 1 . 2 .]" 1
708 1 73 LEU HA 1 74 ARG H . . 2.880 2.241 2.156 2.428 . 0 0 "[ . 1 . 2 .]" 1
709 1 73 LEU QD 1 74 ARG H . . 3.330 2.771 1.899 3.419 0.089 13 0 "[ . 1 . 2 .]" 1
710 1 73 LEU QD 1 75 PHE QE . . 4.950 2.938 2.004 4.430 . 0 0 "[ . 1 . 2 .]" 1
711 1 74 ARG H 1 74 ARG QB . . 3.100 2.510 2.400 2.618 . 0 0 "[ . 1 . 2 .]" 1
712 1 74 ARG HA 1 75 PHE H . . 2.630 2.360 2.242 2.502 . 0 0 "[ . 1 . 2 .]" 1
713 1 74 ARG QB 1 74 ARG HE . . 4.160 3.839 3.411 4.157 . 0 0 "[ . 1 . 2 .]" 1
714 1 74 ARG QB 1 75 PHE H . . 3.010 2.751 2.314 3.046 0.036 10 0 "[ . 1 . 2 .]" 1
715 1 74 ARG QD 1 75 PHE H . . 3.950 3.462 2.660 3.902 . 0 0 "[ . 1 . 2 .]" 1
716 1 74 ARG QG 1 75 PHE H . . 3.440 2.990 1.939 3.418 . 0 0 "[ . 1 . 2 .]" 1
717 1 75 PHE H 1 75 PHE HB2 . . 3.320 2.821 2.713 2.942 . 0 0 "[ . 1 . 2 .]" 1
718 1 75 PHE H 1 75 PHE QD . . 3.800 3.273 2.621 3.887 0.087 25 0 "[ . 1 . 2 .]" 1
719 1 75 PHE HA 1 76 GLU H . . 2.760 2.264 2.209 2.362 . 0 0 "[ . 1 . 2 .]" 1
720 1 75 PHE HB2 1 76 GLU H . . 3.690 3.875 3.584 4.064 0.374 15 0 "[ . 1 . 2 .]" 1
721 1 75 PHE HB3 1 76 GLU H . . 3.690 2.819 2.565 3.005 . 0 0 "[ . 1 . 2 .]" 1
722 1 75 PHE QD 1 76 GLU H . . 4.250 3.869 3.468 4.298 0.048 3 0 "[ . 1 . 2 .]" 1
723 1 76 GLU H 1 76 GLU QB . . 3.470 2.842 2.683 2.944 . 0 0 "[ . 1 . 2 .]" 1
724 1 76 GLU HA 1 77 VAL H . . 2.560 2.356 2.188 2.426 . 0 0 "[ . 1 . 2 .]" 1
725 1 76 GLU QG 1 77 VAL H . . 2.990 2.433 1.966 2.965 . 0 0 "[ . 1 . 2 .]" 1
726 1 76 GLU HG2 1 77 VAL H . . 3.460 2.812 2.073 3.392 . 0 0 "[ . 1 . 2 .]" 1
727 1 76 GLU HG3 1 77 VAL H . . 3.460 2.827 1.989 3.450 . 0 0 "[ . 1 . 2 .]" 1
728 1 77 VAL H 1 77 VAL HB . . 2.740 2.590 2.469 2.971 0.231 6 0 "[ . 1 . 2 .]" 1
729 1 77 VAL H 1 78 GLY H . . 4.110 4.264 4.234 4.296 0.186 12 0 "[ . 1 . 2 .]" 1
730 1 77 VAL HA 1 78 GLY H . . 2.700 2.165 2.162 2.166 . 0 0 "[ . 1 . 2 .]" 1
731 1 79 THR HA 1 80 LYS H . . 2.820 2.338 2.166 2.525 . 0 0 "[ . 1 . 2 .]" 1
732 1 79 THR HB 1 80 LYS H . . 3.310 3.047 2.185 3.608 0.298 11 0 "[ . 1 . 2 .]" 1
733 1 79 THR MG 1 80 LYS H . . 3.230 2.890 1.947 3.238 0.008 2 0 "[ . 1 . 2 .]" 1
734 1 81 PRO HA 1 82 VAL H . . 2.410 2.412 2.406 2.423 0.013 18 0 "[ . 1 . 2 .]" 1
735 1 81 PRO HB2 1 82 VAL H . . 3.440 2.586 2.557 2.600 . 0 0 "[ . 1 . 2 .]" 1
736 1 81 PRO HB3 1 82 VAL H . . 3.440 3.440 3.426 3.447 0.007 16 0 "[ . 1 . 2 .]" 1
737 1 82 VAL H 1 82 VAL HB . . 2.890 2.798 2.608 2.902 0.012 18 0 "[ . 1 . 2 .]" 1
738 1 82 VAL H 1 82 VAL QG . . 2.890 2.523 1.912 2.842 . 0 0 "[ . 1 . 2 .]" 1
739 1 82 VAL HA 1 83 THR H . . 2.690 2.260 2.245 2.275 . 0 0 "[ . 1 . 2 .]" 1
740 1 82 VAL HB 1 83 THR H . . 3.780 3.801 3.729 3.917 0.137 19 0 "[ . 1 . 2 .]" 1
741 1 82 VAL QG 1 83 THR H . . 3.640 2.063 1.934 2.151 . 0 0 "[ . 1 . 2 .]" 1
742 1 83 THR H 1 83 THR MG . . 3.720 2.866 1.960 3.716 . 0 0 "[ . 1 . 2 .]" 1
743 1 83 THR HA 1 84 GLN H . . 3.390 2.311 2.146 2.684 . 0 0 "[ . 1 . 2 .]" 1
744 1 83 THR HB 1 84 GLN H . . 4.140 3.384 1.958 4.115 . 0 0 "[ . 1 . 2 .]" 1
745 1 84 GLN HA 1 85 THR H . . 3.060 2.233 2.139 2.619 . 0 0 "[ . 1 . 2 .]" 1
746 1 84 GLN QG 1 85 THR H . . 3.830 3.116 2.050 3.821 . 0 0 "[ . 1 . 2 .]" 1
747 1 85 THR H 1 85 THR HB . . 3.710 3.646 3.099 3.714 0.004 18 0 "[ . 1 . 2 .]" 1
748 1 86 PRO HA 1 87 GLN H . . 2.920 2.405 2.199 2.637 . 0 0 "[ . 1 . 2 .]" 1
749 1 86 PRO QB 1 87 GLN H . . 3.270 2.550 2.052 3.072 . 0 0 "[ . 1 . 2 .]" 1
750 1 86 PRO HB2 1 87 GLN H . . 3.850 2.632 2.076 3.240 . 0 0 "[ . 1 . 2 .]" 1
751 1 86 PRO HB3 1 87 GLN H . . 3.850 3.475 3.210 3.810 . 0 0 "[ . 1 . 2 .]" 1
752 1 87 GLN H 1 87 GLN QB . . 3.180 2.985 2.869 3.181 0.001 12 0 "[ . 1 . 2 .]" 1
753 1 88 ALA H 1 88 ALA HA . . 2.840 2.786 2.278 2.832 . 0 0 "[ . 1 . 2 .]" 1
754 1 88 ALA H 1 88 ALA MB . . 3.140 2.877 2.825 2.909 . 0 0 "[ . 1 . 2 .]" 1
755 1 88 ALA HA 1 89 ALA H . . 2.950 2.348 2.144 2.714 . 0 0 "[ . 1 . 2 .]" 1
756 1 88 ALA MB 1 89 ALA H . . 3.290 2.658 2.080 3.305 0.015 6 0 "[ . 1 . 2 .]" 1
757 1 89 ALA HA 1 90 VAL H . . 2.870 2.233 2.141 2.440 . 0 0 "[ . 1 . 2 .]" 1
758 1 89 ALA MB 1 90 VAL H . . 3.350 2.942 2.333 3.359 0.009 2 0 "[ . 1 . 2 .]" 1
759 1 90 VAL H 1 90 VAL HB . . 3.270 3.153 2.900 3.274 0.004 18 0 "[ . 1 . 2 .]" 1
760 1 90 VAL H 1 90 VAL QG . . 3.450 2.461 2.136 2.969 . 0 0 "[ . 1 . 2 .]" 1
761 1 90 VAL HA 1 91 THR H . . 3.260 2.278 2.166 3.003 . 0 0 "[ . 1 . 2 .]" 1
762 1 92 SER HA 1 93 ASN H . . 3.100 2.397 2.160 2.715 . 0 0 "[ . 1 . 2 .]" 1
763 1 94 VAL H 1 94 VAL HB . . 3.200 3.086 2.788 3.202 0.002 18 0 "[ . 1 . 2 .]" 1
764 1 94 VAL H 1 94 VAL QG . . 3.440 2.437 2.133 2.986 . 0 0 "[ . 1 . 2 .]" 1
765 1 94 VAL HA 1 95 ALA H . . 2.890 2.247 2.159 2.288 . 0 0 "[ . 1 . 2 .]" 1
766 1 94 VAL HB 1 95 ALA H . . 4.320 3.982 3.742 4.161 . 0 0 "[ . 1 . 2 .]" 1
767 1 94 VAL QG 1 95 ALA H . . 4.230 2.114 1.915 2.506 . 0 0 "[ . 1 . 2 .]" 1
768 1 95 ALA HA 1 96 ALA H . . 2.970 2.249 2.144 2.551 . 0 0 "[ . 1 . 2 .]" 1
769 1 96 ALA H 1 96 ALA MB . . 3.310 2.843 2.567 2.897 . 0 0 "[ . 1 . 2 .]" 1
770 1 97 PRO HA 1 98 ALA H . . 2.910 2.502 2.254 2.635 . 0 0 "[ . 1 . 2 .]" 1
771 1 98 ALA H 1 98 ALA MB . . 3.250 2.840 2.504 2.906 . 0 0 "[ . 1 . 2 .]" 1
772 1 98 ALA HA 1 99 GLN H . . 3.260 2.387 2.144 2.715 . 0 0 "[ . 1 . 2 .]" 1
773 1 98 ALA MB 1 99 GLN H . . 4.140 2.614 1.917 3.323 . 0 0 "[ . 1 . 2 .]" 1
774 1 99 GLN H 1 99 GLN QB . . 3.600 2.992 2.718 3.359 . 0 0 "[ . 1 . 2 .]" 1
775 1 99 GLN HA 1 100 VAL H . . 2.980 2.315 2.141 2.704 . 0 0 "[ . 1 . 2 .]" 1
776 1 100 VAL H 1 100 VAL HB . . 3.530 3.398 2.909 3.656 0.126 2 0 "[ . 1 . 2 .]" 1
777 1 100 VAL H 1 100 VAL QG . . 3.730 2.570 1.945 2.971 . 0 0 "[ . 1 . 2 .]" 1
778 1 100 VAL HA 1 101 ALA H . . 3.220 2.273 2.209 2.493 . 0 0 "[ . 1 . 2 .]" 1
779 1 100 VAL HB 1 101 ALA H . . 4.080 3.821 2.177 4.077 . 0 0 "[ . 1 . 2 .]" 1
780 1 101 ALA H 1 101 ALA MB . . 3.670 2.811 2.444 2.893 . 0 0 "[ . 1 . 2 .]" 1
781 1 101 ALA HA 1 102 GLN H . . 3.350 2.337 2.152 2.689 . 0 0 "[ . 1 . 2 .]" 1
782 1 103 THR HA 1 104 GLN H . . 3.530 2.417 2.143 3.530 0.000 1 0 "[ . 1 . 2 .]" 1
783 1 106 GLN HA 1 107 ARG H . . 3.260 2.389 2.150 2.713 . 0 0 "[ . 1 . 2 .]" 1
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