NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
586204 |
2msx   |
25139 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2msx
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 592
_Distance_constraint_stats_list.Viol_count 1426
_Distance_constraint_stats_list.Viol_total 7303.397
_Distance_constraint_stats_list.Viol_max 2.304
_Distance_constraint_stats_list.Viol_rms 0.1447
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0308
_Distance_constraint_stats_list.Viol_average_violations_only 0.2561
_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 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 1.111 0.308 17 0 "[ . 1 . 2]"
1 10 ALA 8.215 0.656 12 3 "[ . 1 + . * -2]"
1 11 GLY 0.805 0.357 19 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 2.777 0.322 1 0 "[ . 1 . 2]"
1 16 VAL 2.777 0.322 1 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 0.504 0.070 19 0 "[ . 1 . 2]"
1 20 GLN 3.067 0.221 19 0 "[ . 1 . 2]"
1 21 ALA 19.251 0.407 11 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 6.958 0.274 12 0 "[ . 1 . 2]"
1 24 SER 6.176 0.407 11 0 "[ . 1 . 2]"
1 25 ASN 19.489 0.523 3 2 "[ + . 1 . - 2]"
1 26 GLY 6.777 0.274 12 0 "[ . 1 . 2]"
1 27 ALA 9.312 0.523 3 2 "[ + . 1 . - 2]"
1 28 THR 8.467 0.730 12 8 "[ * . * 1*+* **- 2]"
1 29 PHE 10.369 0.730 12 8 "[ * . * 1*+* **- 2]"
1 30 LEU 3.170 0.279 19 0 "[ . 1 . 2]"
1 31 GLU 5.073 0.279 19 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 PRO 0.444 0.114 16 0 "[ . 1 . 2]"
1 34 THR 14.424 0.684 6 20 [*****+***********-**]
1 35 VAL 28.308 0.684 6 20 [*****+***********-**]
1 36 ARG 1.640 0.375 6 0 "[ . 1 . 2]"
1 37 ARG 3.425 0.375 6 0 "[ . 1 . 2]"
1 38 GLY 0.809 0.349 2 0 "[ . 1 . 2]"
1 39 TRP 2.124 0.300 8 0 "[ . 1 . 2]"
1 40 ASP 8.234 0.463 17 0 "[ . 1 . 2]"
1 41 CYS 5.384 0.384 17 0 "[ . 1 . 2]"
1 42 VAL 2.862 0.300 8 0 "[ . 1 . 2]"
1 43 ARG 5.834 0.370 19 0 "[ . 1 . 2]"
1 44 ALA 5.223 0.370 19 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 CYS 0.572 0.132 17 0 "[ . 1 . 2]"
1 47 THR 1.904 0.135 11 0 "[ . 1 . 2]"
1 48 THR 4.230 0.306 11 0 "[ . 1 . 2]"
1 49 GLN 19.161 0.455 16 0 "[ . 1 . 2]"
1 50 ASN 4.351 0.269 19 0 "[ . 1 . 2]"
1 51 CYS 9.751 0.437 19 0 "[ . 1 . 2]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.131 0.029 15 0 "[ . 1 . 2]"
1 54 ALA 0.131 0.029 15 0 "[ . 1 . 2]"
1 55 LEU 0.338 0.050 18 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.202 0.106 18 0 "[ . 1 . 2]"
1 58 LEU 0.202 0.106 18 0 "[ . 1 . 2]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PRO 59.340 2.304 18 20 [**-**************+**]
1 61 ASP 0.332 0.120 17 0 "[ . 1 . 2]"
1 62 ARG 26.329 1.377 4 20 [**-+****************]
1 63 GLY 37.375 2.304 18 20 [-****************+**]
1 64 GLU 3.619 0.569 18 1 "[ . 1 . + 2]"
1 65 ASP 0.547 0.176 14 0 "[ . 1 . 2]"
1 66 ALA 0.174 0.042 7 0 "[ . 1 . 2]"
1 67 ILE 4.641 0.244 15 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 7.840 0.434 19 0 "[ . 1 . 2]"
1 70 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 PHE 6.970 0.434 19 0 "[ . 1 . 2]"
1 72 LEU 4.241 0.558 1 5 "[+ * * 1 . -* 2]"
1 73 ILE 4.241 0.558 1 5 "[+ * * 1 . -* 2]"
1 74 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 32.726 0.583 19 4 "[ *. 1 * .- +2]"
1 77 TYR 14.251 0.386 3 0 "[ . 1 . 2]"
1 78 GLU 4.548 0.286 18 0 "[ . 1 . 2]"
1 79 GLN 11.505 0.390 3 0 "[ . 1 . 2]"
1 80 ASN 21.600 0.583 19 4 "[ *. 1 * .- +2]"
1 81 PHE 0.542 0.236 3 0 "[ . 1 . 2]"
1 82 VAL 4.480 0.386 3 0 "[ . 1 . 2]"
1 83 CYS 0.115 0.077 18 0 "[ . 1 . 2]"
1 84 LYS 11.346 0.626 17 19 "[***** *********-+***]"
1 85 PHE 11.226 0.626 17 19 "[***** *********-+***]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ARG 0.033 0.033 17 0 "[ . 1 . 2]"
1 89 GLU 5.494 0.609 11 3 "[ . 1+ * .- 2]"
1 90 GLY 4.931 0.609 11 3 "[ . 1+ * .- 2]"
1 91 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 39.037 2.018 17 20 [************-***+***]
1 93 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 TYR 39.078 2.018 17 20 [************-***+***]
1 95 LEU 8.139 0.656 12 3 "[ . 1 + . * -2]"
1 96 THR 0.187 0.070 20 0 "[ . 1 . 2]"
1 97 ARG 3.023 0.262 9 0 "[ . 1 . 2]"
1 98 GLU 11.449 0.503 18 1 "[ . 1 . + 2]"
1 99 VAL 0.282 0.149 14 0 "[ . 1 . 2]"
1 100 TYR 2.163 0.318 19 0 "[ . 1 . 2]"
1 101 ARG 0.145 0.087 2 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 TYR 29.422 1.295 20 20 [-******************+]
1 104 ARG 0.319 0.115 19 0 "[ . 1 . 2]"
1 105 GLN 1.853 0.297 4 0 "[ . 1 . 2]"
1 106 LEU 9.998 0.297 4 0 "[ . 1 . 2]"
1 107 VAL 10.157 0.226 8 0 "[ . 1 . 2]"
1 108 ASP 1.164 0.148 18 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 2 ALA MB 1 3 ASP H . . 4.300 3.304 2.649 3.760 . 0 0 "[ . 1 . 2]" 1
2 1 6 ASN H 1 6 ASN QB . . 3.840 2.351 2.125 2.790 . 0 0 "[ . 1 . 2]" 1
3 1 8 PHE HA 1 8 PHE HD1 . . 4.790 3.773 3.054 4.117 . 0 0 "[ . 1 . 2]" 1
4 1 8 PHE QB 1 9 THR H . . 4.190 2.662 2.353 2.853 . 0 0 "[ . 1 . 2]" 1
5 1 9 THR H 1 9 THR HB . . 3.980 2.895 2.796 3.068 . 0 0 "[ . 1 . 2]" 1
6 1 9 THR H 1 9 THR MG . . 4.070 4.005 3.967 4.070 . 0 0 "[ . 1 . 2]" 1
7 1 9 THR HA 1 10 ALA H . . 3.140 2.201 2.167 2.238 . 0 0 "[ . 1 . 2]" 1
8 1 9 THR HB 1 10 ALA H . . 4.350 4.081 4.005 4.127 . 0 0 "[ . 1 . 2]" 1
9 1 9 THR HB 1 100 TYR QD . . 4.500 2.995 2.781 3.277 . 0 0 "[ . 1 . 2]" 1
10 1 9 THR HB 1 100 TYR QE . . 4.180 3.511 2.806 3.787 . 0 0 "[ . 1 . 2]" 1
11 1 9 THR MG 1 10 ALA H . . 3.370 2.587 2.487 2.660 . 0 0 "[ . 1 . 2]" 1
12 1 9 THR MG 1 100 TYR QD . . 3.510 3.517 3.341 3.818 0.308 17 0 "[ . 1 . 2]" 1
13 1 9 THR MG 1 100 TYR QE . . 3.300 2.705 2.544 2.835 . 0 0 "[ . 1 . 2]" 1
14 1 10 ALA H 1 10 ALA MB . . 3.020 2.205 2.158 2.231 . 0 0 "[ . 1 . 2]" 1
15 1 10 ALA HA 1 11 GLY H . . 3.480 2.358 2.187 3.248 . 0 0 "[ . 1 . 2]" 1
16 1 10 ALA HA 1 94 TYR QD . . 3.940 2.972 2.256 3.374 . 0 0 "[ . 1 . 2]" 1
17 1 10 ALA HA 1 95 LEU H . . 4.190 3.314 3.105 3.731 . 0 0 "[ . 1 . 2]" 1
18 1 10 ALA MB 1 11 GLY H . . 3.310 3.037 2.861 3.667 0.357 19 0 "[ . 1 . 2]" 1
19 1 10 ALA MB 1 94 TYR QD . . 3.360 2.778 2.259 3.402 0.042 17 0 "[ . 1 . 2]" 1
20 1 10 ALA MB 1 94 TYR QE . . 3.420 2.617 2.358 2.912 . 0 0 "[ . 1 . 2]" 1
21 1 10 ALA MB 1 95 LEU H . . 4.410 4.778 4.623 5.066 0.656 12 3 "[ . 1 + . * -2]" 1
22 1 13 PRO HA 1 14 GLY H . . 3.250 2.311 2.200 2.432 . 0 0 "[ . 1 . 2]" 1
23 1 13 PRO HA 1 15 PHE H . . 4.400 3.336 3.174 3.476 . 0 0 "[ . 1 . 2]" 1
24 1 13 PRO QB 1 14 GLY H . . 3.620 2.776 2.634 3.039 . 0 0 "[ . 1 . 2]" 1
25 1 13 PRO HB2 1 14 GLY H . . 4.220 2.874 2.715 3.191 . 0 0 "[ . 1 . 2]" 1
26 1 13 PRO HB3 1 14 GLY H . . 4.220 3.678 3.530 3.819 . 0 0 "[ . 1 . 2]" 1
27 1 14 GLY H 1 16 VAL QG . . 3.950 3.756 3.486 3.927 . 0 0 "[ . 1 . 2]" 1
28 1 15 PHE H 1 15 PHE HB2 . . 4.200 2.716 2.621 2.799 . 0 0 "[ . 1 . 2]" 1
29 1 15 PHE H 1 15 PHE QB . . 3.560 2.663 2.574 2.739 . 0 0 "[ . 1 . 2]" 1
30 1 15 PHE H 1 15 PHE HB3 . . 4.200 3.836 3.764 3.892 . 0 0 "[ . 1 . 2]" 1
31 1 15 PHE H 1 16 VAL QG . . 3.580 3.699 3.282 3.902 0.322 1 0 "[ . 1 . 2]" 1
32 1 15 PHE HA 1 15 PHE HD1 . . 4.700 2.535 2.242 2.883 . 0 0 "[ . 1 . 2]" 1
33 1 15 PHE HD2 1 107 VAL QG . . 3.400 3.040 2.750 3.310 . 0 0 "[ . 1 . 2]" 1
34 1 15 PHE QE 1 107 VAL QG . . 4.280 3.966 3.656 4.199 . 0 0 "[ . 1 . 2]" 1
35 1 17 LEU QD 1 18 ASP H . . 3.860 2.341 1.753 2.729 . 0 0 "[ . 1 . 2]" 1
36 1 17 LEU MD1 1 18 ASP H . . 4.750 2.663 2.329 3.187 . 0 0 "[ . 1 . 2]" 1
37 1 17 LEU MD2 1 18 ASP H . . 4.750 3.884 1.765 4.608 . 0 0 "[ . 1 . 2]" 1
38 1 19 THR HA 1 20 GLN H . . 3.560 3.580 3.552 3.596 0.036 11 0 "[ . 1 . 2]" 1
39 1 19 THR HB 1 20 GLN H . . 4.530 3.050 2.257 4.051 . 0 0 "[ . 1 . 2]" 1
40 1 19 THR MG 1 20 GLN H . . 3.480 2.740 2.111 3.390 . 0 0 "[ . 1 . 2]" 1
41 1 19 THR MG 1 21 ALA H . . 4.910 4.583 4.071 4.980 0.070 19 0 "[ . 1 . 2]" 1
42 1 20 GLN H 1 20 GLN QB . . 2.930 2.422 2.314 2.475 . 0 0 "[ . 1 . 2]" 1
43 1 20 GLN H 1 20 GLN QG . . 3.300 2.224 2.129 2.317 . 0 0 "[ . 1 . 2]" 1
44 1 20 GLN H 1 21 ALA MB . . 4.400 4.416 4.212 4.621 0.221 19 0 "[ . 1 . 2]" 1
45 1 20 GLN HA 1 23 VAL H . . 3.900 3.569 3.438 3.722 . 0 0 "[ . 1 . 2]" 1
46 1 20 GLN HA 1 24 SER H . . 4.310 4.184 4.046 4.269 . 0 0 "[ . 1 . 2]" 1
47 1 20 GLN QB 1 21 ALA H . . 3.600 3.654 3.557 3.746 0.146 7 0 "[ . 1 . 2]" 1
48 1 20 GLN QB 1 23 VAL H . . 5.360 5.107 4.964 5.278 . 0 0 "[ . 1 . 2]" 1
49 1 20 GLN QG 1 21 ALA H . . 4.070 2.555 2.336 2.808 . 0 0 "[ . 1 . 2]" 1
50 1 21 ALA H 1 21 ALA MB . . 2.640 2.287 2.206 2.365 . 0 0 "[ . 1 . 2]" 1
51 1 21 ALA H 1 22 SER HA . . 5.420 5.068 4.868 5.277 . 0 0 "[ . 1 . 2]" 1
52 1 21 ALA H 1 24 SER QB . . 4.520 4.828 4.681 4.927 0.407 11 0 "[ . 1 . 2]" 1
53 1 21 ALA HA 1 24 SER H . . 3.810 3.642 3.513 3.784 . 0 0 "[ . 1 . 2]" 1
54 1 21 ALA HA 1 25 ASN H . . 4.650 4.892 4.715 5.038 0.388 4 0 "[ . 1 . 2]" 1
55 1 21 ALA MB 1 22 SER H . . 3.220 2.662 2.593 2.762 . 0 0 "[ . 1 . 2]" 1
56 1 21 ALA MB 1 23 VAL H . . 4.830 4.621 4.514 4.704 . 0 0 "[ . 1 . 2]" 1
57 1 21 ALA MB 1 24 SER H . . 4.760 4.695 4.608 4.767 0.007 15 0 "[ . 1 . 2]" 1
58 1 21 ALA MB 1 25 ASN H . . 5.030 5.304 5.163 5.402 0.372 4 0 "[ . 1 . 2]" 1
59 1 22 SER H 1 22 SER HB2 . . 3.890 2.558 2.293 3.521 . 0 0 "[ . 1 . 2]" 1
60 1 22 SER H 1 22 SER QB . . 3.400 2.374 2.261 2.634 . 0 0 "[ . 1 . 2]" 1
61 1 22 SER H 1 22 SER HB3 . . 3.890 3.085 2.398 3.621 . 0 0 "[ . 1 . 2]" 1
62 1 22 SER H 1 23 VAL QG . . 4.020 3.617 3.511 3.701 . 0 0 "[ . 1 . 2]" 1
63 1 22 SER H 1 27 ALA MB . . 5.120 4.486 4.364 4.603 . 0 0 "[ . 1 . 2]" 1
64 1 22 SER HB2 1 23 VAL H . . 4.190 3.182 2.356 3.933 . 0 0 "[ . 1 . 2]" 1
65 1 22 SER HB3 1 23 VAL H . . 4.190 3.222 2.606 3.870 . 0 0 "[ . 1 . 2]" 1
66 1 23 VAL H 1 23 VAL HB . . 3.700 3.710 3.638 3.743 0.043 19 0 "[ . 1 . 2]" 1
67 1 23 VAL H 1 23 VAL MG1 . . 3.830 2.364 2.265 2.413 . 0 0 "[ . 1 . 2]" 1
68 1 23 VAL H 1 23 VAL QG . . 2.860 2.006 1.971 2.108 . 0 0 "[ . 1 . 2]" 1
69 1 23 VAL H 1 23 VAL MG2 . . 3.830 2.176 2.100 2.441 . 0 0 "[ . 1 . 2]" 1
70 1 23 VAL H 1 24 SER QB . . 4.320 4.269 4.189 4.327 0.007 1 0 "[ . 1 . 2]" 1
71 1 23 VAL H 1 27 ALA MB . . 4.920 3.189 3.095 3.386 . 0 0 "[ . 1 . 2]" 1
72 1 23 VAL HA 1 25 ASN H . . 4.050 3.625 3.536 3.759 . 0 0 "[ . 1 . 2]" 1
73 1 23 VAL HA 1 26 GLY H . . 3.840 3.196 3.130 3.303 . 0 0 "[ . 1 . 2]" 1
74 1 23 VAL HB 1 24 SER H . . 4.170 3.965 3.939 4.004 . 0 0 "[ . 1 . 2]" 1
75 1 23 VAL QG 1 24 SER H . . 3.120 2.460 2.395 2.524 . 0 0 "[ . 1 . 2]" 1
76 1 23 VAL QG 1 25 ASN H . . 4.090 4.099 4.053 4.150 0.060 2 0 "[ . 1 . 2]" 1
77 1 23 VAL MG1 1 24 SER H . . 4.100 4.058 3.979 4.090 . 0 0 "[ . 1 . 2]" 1
78 1 23 VAL MG1 1 25 ASN H . . 5.170 5.076 4.991 5.175 0.005 12 0 "[ . 1 . 2]" 1
79 1 23 VAL MG1 1 26 GLY H . . 4.860 5.079 5.025 5.134 0.274 12 0 "[ . 1 . 2]" 1
80 1 23 VAL MG2 1 24 SER H . . 4.100 2.481 2.412 2.548 . 0 0 "[ . 1 . 2]" 1
81 1 23 VAL MG2 1 25 ASN H . . 5.170 4.327 4.267 4.390 . 0 0 "[ . 1 . 2]" 1
82 1 23 VAL MG2 1 26 GLY H . . 4.860 4.956 4.887 5.012 0.152 2 0 "[ . 1 . 2]" 1
83 1 24 SER H 1 24 SER QB . . 2.790 2.262 2.213 2.288 . 0 0 "[ . 1 . 2]" 1
84 1 24 SER H 1 25 ASN QB . . 5.080 3.992 3.889 4.073 . 0 0 "[ . 1 . 2]" 1
85 1 24 SER HA 1 26 GLY H . . 4.610 3.950 3.872 4.010 . 0 0 "[ . 1 . 2]" 1
86 1 24 SER QB 1 25 ASN H . . 3.320 3.140 3.094 3.184 . 0 0 "[ . 1 . 2]" 1
87 1 24 SER QB 1 26 GLY H . . 4.900 4.742 4.680 4.799 . 0 0 "[ . 1 . 2]" 1
88 1 25 ASN H 1 25 ASN HB2 . . 3.270 2.414 2.353 2.496 . 0 0 "[ . 1 . 2]" 1
89 1 25 ASN H 1 25 ASN QB . . 2.780 2.275 2.237 2.327 . 0 0 "[ . 1 . 2]" 1
90 1 25 ASN H 1 25 ASN HB3 . . 3.270 2.784 2.717 2.871 . 0 0 "[ . 1 . 2]" 1
91 1 25 ASN H 1 26 GLY HA2 . . 5.170 4.687 4.639 4.722 . 0 0 "[ . 1 . 2]" 1
92 1 25 ASN H 1 26 GLY QA . . 4.420 4.252 4.208 4.282 . 0 0 "[ . 1 . 2]" 1
93 1 25 ASN H 1 26 GLY HA3 . . 5.170 4.871 4.810 4.911 . 0 0 "[ . 1 . 2]" 1
94 1 25 ASN H 1 27 ALA MB . . 5.060 4.247 4.181 4.313 . 0 0 "[ . 1 . 2]" 1
95 1 25 ASN HA 1 27 ALA H . . 5.160 5.171 5.116 5.208 0.048 1 0 "[ . 1 . 2]" 1
96 1 25 ASN QB 1 26 GLY H . . 3.600 3.232 3.140 3.285 . 0 0 "[ . 1 . 2]" 1
97 1 25 ASN HB2 1 26 GLY H . . 4.160 3.951 3.858 4.033 . 0 0 "[ . 1 . 2]" 1
98 1 25 ASN HB2 1 27 ALA H . . 4.440 4.864 4.681 4.963 0.523 3 2 "[ + . 1 . - 2]" 1
99 1 25 ASN HB3 1 26 GLY H . . 4.160 3.429 3.304 3.484 . 0 0 "[ . 1 . 2]" 1
100 1 25 ASN HB3 1 27 ALA H . . 4.440 3.762 3.591 3.850 . 0 0 "[ . 1 . 2]" 1
101 1 26 GLY H 1 27 ALA MB . . 3.920 3.928 3.846 4.003 0.083 19 0 "[ . 1 . 2]" 1
102 1 27 ALA H 1 27 ALA MB . . 2.870 2.166 2.133 2.196 . 0 0 "[ . 1 . 2]" 1
103 1 27 ALA HA 1 28 THR H . . 3.540 2.321 2.240 2.386 . 0 0 "[ . 1 . 2]" 1
104 1 27 ALA MB 1 28 THR H . . 3.780 2.460 2.346 2.546 . 0 0 "[ . 1 . 2]" 1
105 1 28 THR H 1 28 THR HB . . 3.590 2.713 2.662 2.754 . 0 0 "[ . 1 . 2]" 1
106 1 28 THR H 1 28 THR MG . . 4.020 3.928 3.896 3.948 . 0 0 "[ . 1 . 2]" 1
107 1 28 THR HA 1 29 PHE H . . 3.050 2.074 2.039 2.116 . 0 0 "[ . 1 . 2]" 1
108 1 28 THR HB 1 29 PHE H . . 4.160 4.163 4.124 4.189 0.029 19 0 "[ . 1 . 2]" 1
109 1 28 THR MG 1 29 PHE H . . 3.240 2.705 2.667 2.745 . 0 0 "[ . 1 . 2]" 1
110 1 28 THR MG 1 29 PHE HD1 . . 4.930 5.344 5.125 5.660 0.730 12 8 "[ * . * 1*+* **- 2]" 1
111 1 29 PHE H 1 29 PHE HB2 . . 3.830 2.497 2.414 2.606 . 0 0 "[ . 1 . 2]" 1
112 1 29 PHE H 1 29 PHE QB . . 3.300 2.244 2.213 2.308 . 0 0 "[ . 1 . 2]" 1
113 1 29 PHE H 1 29 PHE HB3 . . 3.830 2.546 2.460 2.604 . 0 0 "[ . 1 . 2]" 1
114 1 29 PHE HA 1 29 PHE HD1 . . 4.620 2.065 1.973 2.189 . 0 0 "[ . 1 . 2]" 1
115 1 29 PHE HA 1 29 PHE HD2 . . 4.860 4.624 4.507 4.716 . 0 0 "[ . 1 . 2]" 1
116 1 29 PHE HA 1 30 LEU H . . 3.430 2.216 2.157 2.270 . 0 0 "[ . 1 . 2]" 1
117 1 29 PHE HA 1 31 GLU H . . 4.230 4.318 4.104 4.458 0.228 19 0 "[ . 1 . 2]" 1
118 1 29 PHE QB 1 30 LEU H . . 4.200 3.944 3.861 4.001 . 0 0 "[ . 1 . 2]" 1
119 1 30 LEU H 1 30 LEU MD1 . . 4.180 1.743 1.686 1.813 . 0 0 "[ . 1 . 2]" 1
120 1 30 LEU H 1 30 LEU QD . . 3.460 1.741 1.685 1.810 . 0 0 "[ . 1 . 2]" 1
121 1 30 LEU H 1 30 LEU MD2 . . 4.180 3.819 3.670 3.939 . 0 0 "[ . 1 . 2]" 1
122 1 30 LEU H 1 30 LEU HG . . 4.010 2.489 2.208 2.734 . 0 0 "[ . 1 . 2]" 1
123 1 30 LEU QB 1 31 GLU H . . 3.680 2.648 2.537 2.806 . 0 0 "[ . 1 . 2]" 1
124 1 30 LEU QD 1 31 GLU H . . 3.500 2.438 2.344 2.534 . 0 0 "[ . 1 . 2]" 1
125 1 30 LEU MD1 1 31 GLU H . . 4.110 2.453 2.355 2.554 . 0 0 "[ . 1 . 2]" 1
126 1 30 LEU MD2 1 31 GLU H . . 4.110 4.261 4.116 4.389 0.279 19 0 "[ . 1 . 2]" 1
127 1 30 LEU HG 1 31 GLU H . . 4.200 4.185 4.134 4.241 0.041 9 0 "[ . 1 . 2]" 1
128 1 31 GLU H 1 31 GLU QB . . 3.370 2.479 2.396 2.616 . 0 0 "[ . 1 . 2]" 1
129 1 31 GLU H 1 31 GLU QG . . 4.300 4.183 4.122 4.264 . 0 0 "[ . 1 . 2]" 1
130 1 31 GLU HA 1 32 SER H . . 2.990 2.216 2.111 2.300 . 0 0 "[ . 1 . 2]" 1
131 1 31 GLU QB 1 32 SER H . . 3.680 3.363 3.014 3.532 . 0 0 "[ . 1 . 2]" 1
132 1 31 GLU QG 1 32 SER H . . 3.430 2.271 2.011 2.538 . 0 0 "[ . 1 . 2]" 1
133 1 33 PRO HA 1 34 THR H . . 3.350 2.482 2.091 3.464 0.114 16 0 "[ . 1 . 2]" 1
134 1 33 PRO QB 1 34 THR H . . 3.670 3.045 2.845 3.499 . 0 0 "[ . 1 . 2]" 1
135 1 33 PRO HB2 1 34 THR H . . 4.320 3.510 2.980 3.897 . 0 0 "[ . 1 . 2]" 1
136 1 33 PRO HB3 1 34 THR H . . 4.320 3.511 3.003 4.334 0.014 11 0 "[ . 1 . 2]" 1
137 1 34 THR H 1 34 THR HB . . 3.620 2.924 2.714 3.058 . 0 0 "[ . 1 . 2]" 1
138 1 34 THR H 1 34 THR MG . . 3.690 2.400 1.966 3.515 . 0 0 "[ . 1 . 2]" 1
139 1 34 THR HB 1 35 VAL H . . 3.980 4.598 4.555 4.664 0.684 6 20 [*****+***********-**] 1
140 1 34 THR MG 1 35 VAL H . . 3.600 3.661 3.499 3.860 0.260 12 0 "[ . 1 . 2]" 1
141 1 35 VAL H 1 35 VAL MG1 . . 3.950 2.299 2.151 2.387 . 0 0 "[ . 1 . 2]" 1
142 1 35 VAL H 1 35 VAL QG . . 3.050 1.936 1.862 2.003 . 0 0 "[ . 1 . 2]" 1
143 1 35 VAL H 1 35 VAL MG2 . . 3.950 2.086 1.992 2.159 . 0 0 "[ . 1 . 2]" 1
144 1 35 VAL HA 1 36 ARG H . . 3.440 2.226 2.077 2.342 . 0 0 "[ . 1 . 2]" 1
145 1 35 VAL HA 1 37 ARG H . . 4.290 4.194 4.090 4.248 . 0 0 "[ . 1 . 2]" 1
146 1 35 VAL HB 1 36 ARG H . . 4.370 2.404 2.244 2.531 . 0 0 "[ . 1 . 2]" 1
147 1 35 VAL HB 1 37 ARG H . . 4.700 2.611 2.519 2.669 . 0 0 "[ . 1 . 2]" 1
148 1 35 VAL QG 1 36 ARG H . . 3.490 3.168 3.082 3.238 . 0 0 "[ . 1 . 2]" 1
149 1 35 VAL QG 1 37 ARG H . . 3.640 2.831 2.485 3.070 . 0 0 "[ . 1 . 2]" 1
150 1 35 VAL QG 1 40 ASP H . . 4.070 3.956 3.718 4.056 . 0 0 "[ . 1 . 2]" 1
151 1 35 VAL QG 1 41 CYS H . . 3.470 2.831 2.642 2.909 . 0 0 "[ . 1 . 2]" 1
152 1 35 VAL MG1 1 36 ARG H . . 4.090 3.533 3.427 3.640 . 0 0 "[ . 1 . 2]" 1
153 1 35 VAL MG1 1 37 ARG H . . 4.170 4.236 4.157 4.305 0.135 19 0 "[ . 1 . 2]" 1
154 1 35 VAL MG1 1 40 ASP H . . 4.720 5.101 4.997 5.183 0.463 17 0 "[ . 1 . 2]" 1
155 1 35 VAL MG1 1 41 CYS H . . 4.160 4.429 4.336 4.544 0.384 17 0 "[ . 1 . 2]" 1
156 1 35 VAL MG2 1 36 ARG H . . 4.090 3.585 3.438 3.699 . 0 0 "[ . 1 . 2]" 1
157 1 35 VAL MG2 1 37 ARG H . . 4.170 2.879 2.503 3.148 . 0 0 "[ . 1 . 2]" 1
158 1 35 VAL MG2 1 40 ASP H . . 4.720 4.125 3.823 4.261 . 0 0 "[ . 1 . 2]" 1
159 1 35 VAL MG2 1 41 CYS H . . 4.160 2.865 2.663 2.949 . 0 0 "[ . 1 . 2]" 1
160 1 36 ARG H 1 36 ARG HB2 . . 4.160 3.442 2.539 3.836 . 0 0 "[ . 1 . 2]" 1
161 1 36 ARG H 1 36 ARG HB3 . . 4.160 3.149 2.651 3.793 . 0 0 "[ . 1 . 2]" 1
162 1 36 ARG H 1 36 ARG QD . . 4.290 1.921 1.621 2.877 . 0 0 "[ . 1 . 2]" 1
163 1 36 ARG H 1 36 ARG HG2 . . 4.000 3.512 3.052 4.247 0.247 20 0 "[ . 1 . 2]" 1
164 1 36 ARG H 1 36 ARG HG3 . . 4.000 3.260 1.916 4.021 0.021 16 0 "[ . 1 . 2]" 1
165 1 36 ARG QB 1 37 ARG H . . 4.160 3.823 3.286 4.044 . 0 0 "[ . 1 . 2]" 1
166 1 36 ARG QG 1 37 ARG H . . 4.390 3.987 3.198 4.765 0.375 6 0 "[ . 1 . 2]" 1
167 1 37 ARG H 1 37 ARG QG . . 4.850 3.010 2.851 3.173 . 0 0 "[ . 1 . 2]" 1
168 1 37 ARG QB 1 40 ASP H . . 3.690 2.369 2.105 2.627 . 0 0 "[ . 1 . 2]" 1
169 1 37 ARG HB2 1 38 GLY H . . 4.380 3.880 3.770 3.985 . 0 0 "[ . 1 . 2]" 1
170 1 37 ARG HB2 1 40 ASP H . . 4.270 2.444 2.166 2.718 . 0 0 "[ . 1 . 2]" 1
171 1 37 ARG HB3 1 38 GLY H . . 4.380 2.792 2.657 2.967 . 0 0 "[ . 1 . 2]" 1
172 1 37 ARG HB3 1 40 ASP H . . 4.270 3.197 2.867 3.477 . 0 0 "[ . 1 . 2]" 1
173 1 37 ARG QD 1 38 GLY H . . 4.720 4.528 3.694 4.765 0.045 6 0 "[ . 1 . 2]" 1
174 1 37 ARG QG 1 38 GLY H . . 4.150 4.088 3.903 4.499 0.349 2 0 "[ . 1 . 2]" 1
175 1 37 ARG QG 1 40 ASP H . . 4.720 4.421 4.063 4.690 . 0 0 "[ . 1 . 2]" 1
176 1 39 TRP HA 1 39 TRP HD1 . . 4.540 4.402 4.295 4.553 0.013 11 0 "[ . 1 . 2]" 1
177 1 39 TRP HA 1 39 TRP HE3 . . 3.660 2.486 2.344 2.688 . 0 0 "[ . 1 . 2]" 1
178 1 39 TRP QB 1 40 ASP H . . 4.230 2.975 2.806 3.143 . 0 0 "[ . 1 . 2]" 1
179 1 39 TRP HB2 1 39 TRP HD1 . . 3.790 2.612 2.566 2.629 . 0 0 "[ . 1 . 2]" 1
180 1 39 TRP HB3 1 39 TRP HD1 . . 3.790 3.715 3.666 3.745 . 0 0 "[ . 1 . 2]" 1
181 1 39 TRP HE3 1 42 VAL HB . . 4.700 3.659 2.515 5.000 0.300 8 0 "[ . 1 . 2]" 1
182 1 39 TRP HE3 1 42 VAL MG1 . . 4.110 3.075 2.311 3.831 . 0 0 "[ . 1 . 2]" 1
183 1 39 TRP HE3 1 42 VAL QG . . 3.540 2.540 2.100 3.143 . 0 0 "[ . 1 . 2]" 1
184 1 39 TRP HE3 1 42 VAL MG2 . . 4.110 3.019 2.109 3.980 . 0 0 "[ . 1 . 2]" 1
185 1 39 TRP HZ3 1 42 VAL MG1 . . 4.210 3.297 2.593 4.327 0.117 10 0 "[ . 1 . 2]" 1
186 1 39 TRP HZ3 1 42 VAL QG . . 3.610 2.872 2.420 3.430 . 0 0 "[ . 1 . 2]" 1
187 1 39 TRP HZ3 1 42 VAL MG2 . . 4.210 3.332 2.726 3.979 . 0 0 "[ . 1 . 2]" 1
188 1 40 ASP H 1 40 ASP HB2 . . 3.990 2.397 2.320 2.462 . 0 0 "[ . 1 . 2]" 1
189 1 40 ASP H 1 40 ASP QB . . 3.480 2.365 2.293 2.424 . 0 0 "[ . 1 . 2]" 1
190 1 40 ASP H 1 40 ASP HB3 . . 3.990 3.615 3.585 3.661 . 0 0 "[ . 1 . 2]" 1
191 1 40 ASP HA 1 43 ARG H . . 4.140 3.620 3.348 3.781 . 0 0 "[ . 1 . 2]" 1
192 1 40 ASP HA 1 44 ALA H . . 4.430 4.427 4.298 4.599 0.169 4 0 "[ . 1 . 2]" 1
193 1 40 ASP HB2 1 41 CYS H . . 4.290 3.016 2.909 3.215 . 0 0 "[ . 1 . 2]" 1
194 1 40 ASP HB3 1 41 CYS H . . 4.290 3.886 3.744 3.993 . 0 0 "[ . 1 . 2]" 1
195 1 41 CYS H 1 41 CYS HB2 . . 3.850 2.496 2.438 2.578 . 0 0 "[ . 1 . 2]" 1
196 1 41 CYS H 1 41 CYS HB3 . . 3.850 2.516 2.449 2.584 . 0 0 "[ . 1 . 2]" 1
197 1 41 CYS H 1 42 VAL QG . . 4.250 3.832 3.582 4.003 . 0 0 "[ . 1 . 2]" 1
198 1 41 CYS QB 1 42 VAL H . . 3.980 2.495 2.366 2.578 . 0 0 "[ . 1 . 2]" 1
199 1 41 CYS HB2 1 42 VAL H . . 4.530 3.810 3.707 3.906 . 0 0 "[ . 1 . 2]" 1
200 1 41 CYS HB3 1 42 VAL H . . 4.530 2.530 2.392 2.617 . 0 0 "[ . 1 . 2]" 1
201 1 42 VAL H 1 42 VAL HB . . 3.880 2.869 2.473 3.651 . 0 0 "[ . 1 . 2]" 1
202 1 42 VAL H 1 42 VAL MG1 . . 3.920 3.082 1.837 3.928 0.008 13 0 "[ . 1 . 2]" 1
203 1 42 VAL H 1 42 VAL QG . . 3.130 2.022 1.832 2.281 . 0 0 "[ . 1 . 2]" 1
204 1 42 VAL H 1 42 VAL MG2 . . 3.920 2.597 2.054 3.846 . 0 0 "[ . 1 . 2]" 1
205 1 42 VAL HB 1 43 ARG H . . 4.120 3.220 2.455 4.316 0.196 17 0 "[ . 1 . 2]" 1
206 1 42 VAL QG 1 43 ARG H . . 3.450 2.889 2.309 3.272 . 0 0 "[ . 1 . 2]" 1
207 1 42 VAL MG1 1 43 ARG H . . 4.010 3.272 2.391 3.963 . 0 0 "[ . 1 . 2]" 1
208 1 42 VAL MG2 1 43 ARG H . . 4.010 3.481 2.324 3.918 . 0 0 "[ . 1 . 2]" 1
209 1 43 ARG H 1 43 ARG QB . . 3.720 2.564 2.506 2.743 . 0 0 "[ . 1 . 2]" 1
210 1 43 ARG H 1 43 ARG QD . . 4.200 3.983 3.636 4.364 0.164 17 0 "[ . 1 . 2]" 1
211 1 43 ARG H 1 43 ARG HG2 . . 3.860 2.335 2.219 2.496 . 0 0 "[ . 1 . 2]" 1
212 1 43 ARG H 1 43 ARG HG3 . . 3.860 3.565 3.077 3.742 . 0 0 "[ . 1 . 2]" 1
213 1 43 ARG H 1 44 ALA MB . . 4.430 4.350 4.212 4.424 . 0 0 "[ . 1 . 2]" 1
214 1 43 ARG HA 1 46 CYS H . . 4.180 3.214 3.026 3.453 . 0 0 "[ . 1 . 2]" 1
215 1 43 ARG QB 1 44 ALA H . . 3.940 3.658 3.589 3.703 . 0 0 "[ . 1 . 2]" 1
216 1 43 ARG QD 1 44 ALA H . . 4.290 4.520 4.400 4.660 0.370 19 0 "[ . 1 . 2]" 1
217 1 43 ARG HG2 1 44 ALA H . . 4.300 2.849 2.691 3.251 . 0 0 "[ . 1 . 2]" 1
218 1 43 ARG HG3 1 44 ALA H . . 4.300 2.900 2.575 3.096 . 0 0 "[ . 1 . 2]" 1
219 1 44 ALA H 1 44 ALA MB . . 2.760 2.252 2.210 2.281 . 0 0 "[ . 1 . 2]" 1
220 1 44 ALA H 1 45 CYS QB . . 4.900 4.345 4.201 4.620 . 0 0 "[ . 1 . 2]" 1
221 1 44 ALA HA 1 47 THR H . . 4.220 3.328 3.176 3.642 . 0 0 "[ . 1 . 2]" 1
222 1 44 ALA MB 1 45 CYS H . . 3.380 2.681 2.585 2.795 . 0 0 "[ . 1 . 2]" 1
223 1 44 ALA MB 1 46 CYS H . . 4.620 4.415 4.292 4.488 . 0 0 "[ . 1 . 2]" 1
224 1 44 ALA MB 1 47 THR H . . 4.910 4.514 4.418 4.674 . 0 0 "[ . 1 . 2]" 1
225 1 45 CYS H 1 45 CYS QB . . 3.670 2.214 2.175 2.247 . 0 0 "[ . 1 . 2]" 1
226 1 45 CYS QB 1 46 CYS H . . 4.080 2.951 2.796 3.053 . 0 0 "[ . 1 . 2]" 1
227 1 46 CYS H 1 46 CYS QB . . 3.600 2.197 2.037 2.262 . 0 0 "[ . 1 . 2]" 1
228 1 46 CYS H 1 47 THR MG . . 4.110 4.121 3.970 4.242 0.132 17 0 "[ . 1 . 2]" 1
229 1 46 CYS QB 1 47 THR H . . 3.970 2.754 2.435 3.193 . 0 0 "[ . 1 . 2]" 1
230 1 47 THR H 1 47 THR HB . . 3.890 3.778 3.718 3.872 . 0 0 "[ . 1 . 2]" 1
231 1 47 THR H 1 47 THR MG . . 3.140 2.402 2.194 2.735 . 0 0 "[ . 1 . 2]" 1
232 1 47 THR HA 1 48 THR H . . 3.520 3.497 3.449 3.530 0.010 3 0 "[ . 1 . 2]" 1
233 1 47 THR HB 1 48 THR H . . 4.280 3.958 3.892 4.011 . 0 0 "[ . 1 . 2]" 1
234 1 47 THR MG 1 48 THR H . . 3.860 3.925 3.849 3.995 0.135 11 0 "[ . 1 . 2]" 1
235 1 48 THR H 1 48 THR HB . . 3.390 2.625 2.596 2.667 . 0 0 "[ . 1 . 2]" 1
236 1 48 THR H 1 48 THR MG . . 4.070 3.856 3.834 3.886 . 0 0 "[ . 1 . 2]" 1
237 1 48 THR H 1 51 CYS HB2 . . 4.690 4.831 4.639 4.996 0.306 11 0 "[ . 1 . 2]" 1
238 1 48 THR H 1 51 CYS QB . . 3.980 3.899 3.801 3.980 0.000 19 0 "[ . 1 . 2]" 1
239 1 48 THR H 1 51 CYS HB3 . . 4.690 4.117 4.036 4.212 . 0 0 "[ . 1 . 2]" 1
240 1 48 THR HA 1 49 GLN H . . 3.170 2.168 2.144 2.191 . 0 0 "[ . 1 . 2]" 1
241 1 48 THR HB 1 51 CYS H . . 4.190 3.562 3.451 3.693 . 0 0 "[ . 1 . 2]" 1
242 1 48 THR MG 1 49 GLN H . . 3.470 3.227 3.035 3.284 . 0 0 "[ . 1 . 2]" 1
243 1 48 THR MG 1 50 ASN H . . 4.430 2.640 2.570 2.696 . 0 0 "[ . 1 . 2]" 1
244 1 48 THR MG 1 51 CYS H . . 3.470 2.809 2.602 2.996 . 0 0 "[ . 1 . 2]" 1
245 1 49 GLN H 1 49 GLN HB2 . . 3.650 2.332 2.299 2.366 . 0 0 "[ . 1 . 2]" 1
246 1 49 GLN H 1 49 GLN QB . . 3.070 2.158 2.142 2.169 . 0 0 "[ . 1 . 2]" 1
247 1 49 GLN H 1 49 GLN HB3 . . 3.650 2.546 2.470 2.603 . 0 0 "[ . 1 . 2]" 1
248 1 49 GLN H 1 49 GLN QG . . 3.580 3.978 3.931 4.035 0.455 16 0 "[ . 1 . 2]" 1
249 1 49 GLN HA 1 51 CYS H . . 3.900 3.938 3.887 3.982 0.082 17 0 "[ . 1 . 2]" 1
250 1 49 GLN QB 1 50 ASN H . . 3.590 2.627 2.539 2.691 . 0 0 "[ . 1 . 2]" 1
251 1 49 GLN QB 1 51 CYS H . . 5.340 4.554 4.475 4.614 . 0 0 "[ . 1 . 2]" 1
252 1 49 GLN HB2 1 50 ASN H . . 4.190 3.970 3.875 4.024 . 0 0 "[ . 1 . 2]" 1
253 1 49 GLN HB3 1 50 ASN H . . 4.190 2.666 2.574 2.733 . 0 0 "[ . 1 . 2]" 1
254 1 49 GLN QG 1 50 ASN H . . 3.310 3.479 3.401 3.579 0.269 19 0 "[ . 1 . 2]" 1
255 1 49 GLN QG 1 50 ASN HD21 . . 3.820 3.536 1.962 3.944 0.124 3 0 "[ . 1 . 2]" 1
256 1 49 GLN QG 1 50 ASN HD22 . . 3.820 3.206 2.671 3.629 . 0 0 "[ . 1 . 2]" 1
257 1 49 GLN QG 1 51 CYS H . . 4.530 4.835 4.774 4.967 0.437 19 0 "[ . 1 . 2]" 1
258 1 51 CYS H 1 51 CYS HB2 . . 3.500 2.859 2.823 2.903 . 0 0 "[ . 1 . 2]" 1
259 1 51 CYS H 1 51 CYS HB3 . . 3.500 2.477 2.440 2.530 . 0 0 "[ . 1 . 2]" 1
260 1 51 CYS QB 1 52 ASN H . . 3.890 3.785 3.736 3.841 . 0 0 "[ . 1 . 2]" 1
261 1 51 CYS HB2 1 52 ASN H . . 4.460 4.216 4.152 4.295 . 0 0 "[ . 1 . 2]" 1
262 1 51 CYS HB3 1 52 ASN H . . 4.460 4.283 4.207 4.332 . 0 0 "[ . 1 . 2]" 1
263 1 53 LEU H 1 53 LEU HB2 . . 4.110 3.037 2.904 3.137 . 0 0 "[ . 1 . 2]" 1
264 1 53 LEU H 1 53 LEU HB3 . . 4.110 2.702 2.556 2.798 . 0 0 "[ . 1 . 2]" 1
265 1 53 LEU H 1 53 LEU QD . . 4.280 3.896 3.845 3.946 . 0 0 "[ . 1 . 2]" 1
266 1 53 LEU QD 1 54 ALA H . . 3.700 2.549 2.362 2.867 . 0 0 "[ . 1 . 2]" 1
267 1 53 LEU HG 1 54 ALA H . . 4.780 3.947 2.842 4.809 0.029 15 0 "[ . 1 . 2]" 1
268 1 54 ALA H 1 54 ALA MB . . 3.520 2.528 2.493 2.640 . 0 0 "[ . 1 . 2]" 1
269 1 54 ALA HA 1 55 LEU H . . 3.470 2.155 2.113 2.220 . 0 0 "[ . 1 . 2]" 1
270 1 54 ALA MB 1 55 LEU H . . 3.660 3.550 3.478 3.624 . 0 0 "[ . 1 . 2]" 1
271 1 55 LEU H 1 55 LEU MD1 . . 4.300 4.225 4.048 4.302 0.002 11 0 "[ . 1 . 2]" 1
272 1 55 LEU H 1 55 LEU QD . . 3.760 3.754 3.711 3.784 0.024 11 0 "[ . 1 . 2]" 1
273 1 55 LEU H 1 55 LEU MD2 . . 4.300 4.209 4.107 4.328 0.028 18 0 "[ . 1 . 2]" 1
274 1 55 LEU QD 1 56 VAL H . . 3.700 2.328 2.090 2.540 . 0 0 "[ . 1 . 2]" 1
275 1 55 LEU QD 1 71 PHE QD . . 3.260 2.336 2.111 2.568 . 0 0 "[ . 1 . 2]" 1
276 1 55 LEU QD 1 71 PHE HE2 . . 4.160 3.397 2.829 3.804 . 0 0 "[ . 1 . 2]" 1
277 1 55 LEU MD1 1 71 PHE QD . . 4.190 3.349 2.234 4.019 . 0 0 "[ . 1 . 2]" 1
278 1 55 LEU MD2 1 71 PHE QD . . 4.190 2.485 2.398 2.610 . 0 0 "[ . 1 . 2]" 1
279 1 55 LEU HG 1 71 PHE QD . . 4.260 2.953 2.022 4.310 0.050 18 0 "[ . 1 . 2]" 1
280 1 56 VAL H 1 56 VAL MG1 . . 3.990 3.111 3.042 3.258 . 0 0 "[ . 1 . 2]" 1
281 1 56 VAL H 1 56 VAL QG . . 3.370 2.294 2.253 2.414 . 0 0 "[ . 1 . 2]" 1
282 1 56 VAL H 1 56 VAL MG2 . . 3.990 2.363 2.316 2.494 . 0 0 "[ . 1 . 2]" 1
283 1 56 VAL HB 1 57 GLU H . . 4.240 2.513 2.326 2.808 . 0 0 "[ . 1 . 2]" 1
284 1 56 VAL QG 1 57 GLU H . . 3.670 3.183 3.108 3.251 . 0 0 "[ . 1 . 2]" 1
285 1 56 VAL MG1 1 57 GLU H . . 4.360 3.473 3.343 3.556 . 0 0 "[ . 1 . 2]" 1
286 1 56 VAL MG2 1 57 GLU H . . 4.360 3.708 3.586 3.978 . 0 0 "[ . 1 . 2]" 1
287 1 57 GLU QG 1 58 LEU H . . 3.990 3.083 2.686 3.859 . 0 0 "[ . 1 . 2]" 1
288 1 57 GLU HG2 1 58 LEU H . . 4.620 3.527 3.123 4.096 . 0 0 "[ . 1 . 2]" 1
289 1 57 GLU HG3 1 58 LEU H . . 4.620 3.456 2.724 4.726 0.106 18 0 "[ . 1 . 2]" 1
290 1 58 LEU H 1 58 LEU HB2 . . 4.080 2.499 2.023 2.643 . 0 0 "[ . 1 . 2]" 1
291 1 58 LEU H 1 58 LEU HB3 . . 4.080 3.610 3.262 3.733 . 0 0 "[ . 1 . 2]" 1
292 1 58 LEU H 1 58 LEU MD1 . . 4.360 3.292 2.977 3.950 . 0 0 "[ . 1 . 2]" 1
293 1 58 LEU H 1 58 LEU QD . . 3.490 2.346 1.974 3.229 . 0 0 "[ . 1 . 2]" 1
294 1 58 LEU H 1 58 LEU MD2 . . 4.360 2.552 1.994 4.198 . 0 0 "[ . 1 . 2]" 1
295 1 58 LEU QB 1 59 GLN H . . 4.260 1.959 1.778 2.324 . 0 0 "[ . 1 . 2]" 1
296 1 58 LEU QD 1 59 GLN H . . 3.670 3.393 3.109 3.548 . 0 0 "[ . 1 . 2]" 1
297 1 60 PRO HA 1 62 ARG H . . 4.170 5.418 5.211 5.547 1.377 4 20 [**-+****************] 1
298 1 60 PRO HA 1 63 GLY H . . 4.230 5.949 5.535 6.534 2.304 18 20 [-****************+**] 1
299 1 60 PRO QB 1 61 ASP H . . 3.590 3.123 2.845 3.261 . 0 0 "[ . 1 . 2]" 1
300 1 60 PRO QD 1 61 ASP H . . 3.680 2.654 2.474 2.874 . 0 0 "[ . 1 . 2]" 1
301 1 60 PRO HD2 1 61 ASP H . . 4.350 2.704 2.512 2.942 . 0 0 "[ . 1 . 2]" 1
302 1 60 PRO HD3 1 61 ASP H . . 4.350 3.867 3.716 4.032 . 0 0 "[ . 1 . 2]" 1
303 1 60 PRO QG 1 61 ASP H . . 3.550 1.994 1.748 2.170 . 0 0 "[ . 1 . 2]" 1
304 1 61 ASP H 1 61 ASP QB . . 3.060 2.846 2.634 3.180 0.120 17 0 "[ . 1 . 2]" 1
305 1 61 ASP H 1 62 ARG QG . . 4.450 4.030 3.947 4.157 . 0 0 "[ . 1 . 2]" 1
306 1 61 ASP QB 1 62 ARG H . . 3.710 2.714 2.297 3.571 . 0 0 "[ . 1 . 2]" 1
307 1 62 ARG H 1 62 ARG HB2 . . 3.730 2.634 2.416 2.808 . 0 0 "[ . 1 . 2]" 1
308 1 62 ARG H 1 62 ARG QB . . 3.180 2.583 2.382 2.732 . 0 0 "[ . 1 . 2]" 1
309 1 62 ARG H 1 62 ARG HB3 . . 3.730 3.731 3.604 3.794 0.064 16 0 "[ . 1 . 2]" 1
310 1 62 ARG H 1 62 ARG QD . . 4.250 3.570 2.965 3.884 . 0 0 "[ . 1 . 2]" 1
311 1 62 ARG H 1 62 ARG QG . . 3.240 2.484 2.222 2.638 . 0 0 "[ . 1 . 2]" 1
312 1 62 ARG HB2 1 63 GLY H . . 4.210 3.299 2.776 3.645 . 0 0 "[ . 1 . 2]" 1
313 1 62 ARG HB3 1 63 GLY H . . 4.210 4.139 3.797 4.295 0.085 17 0 "[ . 1 . 2]" 1
314 1 62 ARG QG 1 63 GLY H . . 4.290 4.275 4.081 4.420 0.130 19 0 "[ . 1 . 2]" 1
315 1 63 GLY HA2 1 64 GLU H . . 3.370 3.394 2.615 3.552 0.182 13 0 "[ . 1 . 2]" 1
316 1 63 GLY HA3 1 64 GLU H . . 3.370 2.298 2.063 3.561 0.191 18 0 "[ . 1 . 2]" 1
317 1 64 GLU H 1 64 GLU QB . . 2.940 2.902 2.557 3.509 0.569 18 1 "[ . 1 . + 2]" 1
318 1 64 GLU H 1 64 GLU QG . . 3.430 2.614 2.153 3.439 0.009 14 0 "[ . 1 . 2]" 1
319 1 64 GLU HA 1 65 ASP H . . 3.540 3.505 3.441 3.554 0.014 8 0 "[ . 1 . 2]" 1
320 1 64 GLU HA 1 66 ALA H . . 4.100 3.694 3.344 3.903 . 0 0 "[ . 1 . 2]" 1
321 1 64 GLU QB 1 65 ASP H . . 3.850 3.396 2.491 3.800 . 0 0 "[ . 1 . 2]" 1
322 1 64 GLU QB 1 66 ALA H . . 4.980 4.718 4.411 5.022 0.042 7 0 "[ . 1 . 2]" 1
323 1 64 GLU QG 1 65 ASP H . . 4.150 3.220 2.539 4.326 0.176 14 0 "[ . 1 . 2]" 1
324 1 65 ASP H 1 66 ALA MB . . 4.650 4.349 4.113 4.535 . 0 0 "[ . 1 . 2]" 1
325 1 65 ASP HA 1 66 ALA H . . 3.480 3.462 3.387 3.509 0.029 8 0 "[ . 1 . 2]" 1
326 1 65 ASP QB 1 66 ALA H . . 4.110 2.897 2.538 3.585 . 0 0 "[ . 1 . 2]" 1
327 1 66 ALA H 1 66 ALA MB . . 2.680 2.396 2.274 2.513 . 0 0 "[ . 1 . 2]" 1
328 1 66 ALA MB 1 67 ILE H . . 3.350 2.784 2.484 3.035 . 0 0 "[ . 1 . 2]" 1
329 1 67 ILE H 1 67 ILE MD . . 3.800 3.979 3.878 4.044 0.244 15 0 "[ . 1 . 2]" 1
330 1 67 ILE H 1 67 ILE HG12 . . 4.170 2.381 2.311 2.450 . 0 0 "[ . 1 . 2]" 1
331 1 67 ILE H 1 67 ILE HG13 . . 4.170 2.901 2.815 2.970 . 0 0 "[ . 1 . 2]" 1
332 1 67 ILE H 1 67 ILE MG . . 3.620 3.004 2.940 3.079 . 0 0 "[ . 1 . 2]" 1
333 1 67 ILE HA 1 69 ALA H . . 4.240 4.277 4.207 4.360 0.120 9 0 "[ . 1 . 2]" 1
334 1 67 ILE HB 1 68 ALA H . . 4.120 2.526 2.445 2.614 . 0 0 "[ . 1 . 2]" 1
335 1 67 ILE HB 1 69 ALA H . . 4.040 2.821 2.705 2.912 . 0 0 "[ . 1 . 2]" 1
336 1 67 ILE MD 1 69 ALA H . . 4.710 3.445 3.306 3.542 . 0 0 "[ . 1 . 2]" 1
337 1 67 ILE MG 1 68 ALA H . . 4.110 3.687 3.578 3.806 . 0 0 "[ . 1 . 2]" 1
338 1 67 ILE MG 1 69 ALA H . . 4.460 4.440 4.314 4.527 0.067 18 0 "[ . 1 . 2]" 1
339 1 68 ALA H 1 68 ALA MB . . 3.390 2.226 2.198 2.285 . 0 0 "[ . 1 . 2]" 1
340 1 68 ALA MB 1 69 ALA H . . 3.610 2.614 2.537 2.716 . 0 0 "[ . 1 . 2]" 1
341 1 69 ALA HA 1 70 CYS H . . 3.000 2.340 2.302 2.408 . 0 0 "[ . 1 . 2]" 1
342 1 69 ALA MB 1 70 CYS H . . 3.250 2.585 2.500 2.708 . 0 0 "[ . 1 . 2]" 1
343 1 69 ALA MB 1 71 PHE QD . . 3.750 4.082 4.000 4.184 0.434 19 0 "[ . 1 . 2]" 1
344 1 69 ALA MB 1 71 PHE HE2 . . 3.730 3.414 3.048 3.860 0.130 13 0 "[ . 1 . 2]" 1
345 1 70 CYS H 1 70 CYS HB2 . . 4.020 3.215 3.147 3.294 . 0 0 "[ . 1 . 2]" 1
346 1 70 CYS H 1 70 CYS QB . . 3.470 2.444 2.373 2.549 . 0 0 "[ . 1 . 2]" 1
347 1 70 CYS H 1 70 CYS HB3 . . 4.020 2.533 2.454 2.656 . 0 0 "[ . 1 . 2]" 1
348 1 70 CYS HA 1 71 PHE H . . 3.340 2.126 2.085 2.152 . 0 0 "[ . 1 . 2]" 1
349 1 71 PHE HA 1 72 LEU H . . 3.380 2.189 2.143 2.262 . 0 0 "[ . 1 . 2]" 1
350 1 72 LEU H 1 72 LEU MD1 . . 4.480 3.478 2.524 4.170 . 0 0 "[ . 1 . 2]" 1
351 1 72 LEU H 1 72 LEU QD . . 3.930 2.962 2.498 3.257 . 0 0 "[ . 1 . 2]" 1
352 1 72 LEU H 1 72 LEU MD2 . . 4.480 3.658 3.275 4.228 . 0 0 "[ . 1 . 2]" 1
353 1 72 LEU H 1 72 LEU HG . . 4.590 3.278 2.628 4.255 . 0 0 "[ . 1 . 2]" 1
354 1 72 LEU H 1 73 ILE MD . . 4.690 3.412 3.213 3.599 . 0 0 "[ . 1 . 2]" 1
355 1 72 LEU HA 1 73 ILE H . . 3.480 2.090 2.029 2.147 . 0 0 "[ . 1 . 2]" 1
356 1 72 LEU QD 1 73 ILE H . . 3.660 3.854 3.525 4.218 0.558 1 5 "[+ * * 1 . -* 2]" 1
357 1 73 ILE H 1 73 ILE HB . . 3.820 2.658 2.615 2.681 . 0 0 "[ . 1 . 2]" 1
358 1 73 ILE H 1 73 ILE MD . . 3.900 3.087 3.011 3.148 . 0 0 "[ . 1 . 2]" 1
359 1 73 ILE H 1 73 ILE QG . . 4.180 3.920 3.872 3.988 . 0 0 "[ . 1 . 2]" 1
360 1 73 ILE H 1 73 ILE MG . . 4.020 3.811 3.788 3.837 . 0 0 "[ . 1 . 2]" 1
361 1 73 ILE HA 1 74 ASN H . . 3.530 2.162 2.123 2.212 . 0 0 "[ . 1 . 2]" 1
362 1 73 ILE MD 1 74 ASN H . . 5.070 4.845 4.802 4.889 . 0 0 "[ . 1 . 2]" 1
363 1 73 ILE QG 1 74 ASN H . . 5.090 3.633 3.569 3.709 . 0 0 "[ . 1 . 2]" 1
364 1 73 ILE MG 1 74 ASN H . . 3.300 2.416 2.352 2.467 . 0 0 "[ . 1 . 2]" 1
365 1 75 CYS H 1 75 CYS HB2 . . 4.160 3.086 2.882 3.218 . 0 0 "[ . 1 . 2]" 1
366 1 75 CYS H 1 75 CYS HB3 . . 4.160 4.048 3.679 4.155 . 0 0 "[ . 1 . 2]" 1
367 1 76 LEU H 1 76 LEU HB2 . . 3.690 2.499 2.454 2.545 . 0 0 "[ . 1 . 2]" 1
368 1 76 LEU H 1 76 LEU HB3 . . 3.690 3.719 3.685 3.764 0.074 6 0 "[ . 1 . 2]" 1
369 1 76 LEU H 1 76 LEU QD . . 4.370 3.532 3.443 3.629 . 0 0 "[ . 1 . 2]" 1
370 1 76 LEU H 1 76 LEU HG . . 4.250 3.048 2.875 3.219 . 0 0 "[ . 1 . 2]" 1
371 1 76 LEU HA 1 77 TYR H . . 3.320 2.145 2.090 2.190 . 0 0 "[ . 1 . 2]" 1
372 1 76 LEU HA 1 80 ASN H . . 5.020 4.473 4.404 4.529 . 0 0 "[ . 1 . 2]" 1
373 1 76 LEU HA 1 82 VAL H . . 4.230 2.824 2.622 2.991 . 0 0 "[ . 1 . 2]" 1
374 1 76 LEU QB 1 77 TYR H . . 3.790 2.821 2.755 2.917 . 0 0 "[ . 1 . 2]" 1
375 1 76 LEU QB 1 81 PHE HD1 . . 5.060 4.975 4.784 5.296 0.236 3 0 "[ . 1 . 2]" 1
376 1 76 LEU HB2 1 77 TYR H . . 4.410 3.993 3.935 4.092 . 0 0 "[ . 1 . 2]" 1
377 1 76 LEU HB3 1 77 TYR H . . 4.410 2.884 2.809 2.986 . 0 0 "[ . 1 . 2]" 1
378 1 76 LEU QD 1 77 TYR H . . 3.420 3.349 3.314 3.467 0.047 18 0 "[ . 1 . 2]" 1
379 1 76 LEU QD 1 79 GLN H . . 3.990 4.259 3.784 4.380 0.390 3 0 "[ . 1 . 2]" 1
380 1 76 LEU QD 1 80 ASN H . . 3.680 3.944 3.814 4.008 0.328 18 0 "[ . 1 . 2]" 1
381 1 76 LEU QD 1 81 PHE H . . 4.140 3.576 2.400 3.713 . 0 0 "[ . 1 . 2]" 1
382 1 76 LEU QD 1 81 PHE HD1 . . 3.290 2.176 2.052 2.362 . 0 0 "[ . 1 . 2]" 1
383 1 76 LEU QD 1 82 VAL H . . 4.620 3.457 3.302 3.756 . 0 0 "[ . 1 . 2]" 1
384 1 76 LEU MD1 1 77 TYR H . . 4.720 4.757 4.691 4.818 0.098 2 0 "[ . 1 . 2]" 1
385 1 76 LEU MD1 1 79 GLN H . . 4.660 4.837 4.210 5.014 0.354 16 0 "[ . 1 . 2]" 1
386 1 76 LEU MD1 1 80 ASN H . . 4.900 5.368 5.292 5.483 0.583 19 4 "[ *. 1 * .- +2]" 1
387 1 76 LEU MD1 1 81 PHE HD1 . . 4.760 4.240 4.123 4.368 . 0 0 "[ . 1 . 2]" 1
388 1 76 LEU MD2 1 77 TYR H . . 4.720 3.423 3.377 3.565 . 0 0 "[ . 1 . 2]" 1
389 1 76 LEU MD2 1 79 GLN H . . 4.660 4.731 4.287 4.919 0.259 3 0 "[ . 1 . 2]" 1
390 1 76 LEU MD2 1 80 ASN H . . 4.900 4.058 3.904 4.137 . 0 0 "[ . 1 . 2]" 1
391 1 76 LEU MD2 1 81 PHE HD1 . . 4.760 2.183 2.056 2.372 . 0 0 "[ . 1 . 2]" 1
392 1 76 LEU HG 1 77 TYR H . . 4.720 4.951 4.869 5.049 0.329 18 0 "[ . 1 . 2]" 1
393 1 77 TYR H 1 77 TYR QB . . 3.840 2.698 2.653 2.742 . 0 0 "[ . 1 . 2]" 1
394 1 77 TYR H 1 82 VAL QG . . 3.380 2.761 2.689 2.832 . 0 0 "[ . 1 . 2]" 1
395 1 77 TYR HA 1 77 TYR QD . . 3.310 2.747 2.515 2.905 . 0 0 "[ . 1 . 2]" 1
396 1 77 TYR HA 1 78 GLU H . . 3.200 2.116 2.086 2.159 . 0 0 "[ . 1 . 2]" 1
397 1 77 TYR QB 1 77 TYR HE1 . . 4.810 4.567 4.534 4.626 . 0 0 "[ . 1 . 2]" 1
398 1 77 TYR QB 1 78 GLU H . . 4.280 3.787 3.739 3.850 . 0 0 "[ . 1 . 2]" 1
399 1 77 TYR QD 1 78 GLU HA . . 4.900 5.115 4.977 5.186 0.286 18 0 "[ . 1 . 2]" 1
400 1 77 TYR QD 1 78 GLU QB . . 3.720 3.493 3.198 3.827 0.107 3 0 "[ . 1 . 2]" 1
401 1 77 TYR QD 1 78 GLU QG . . 3.670 3.077 2.952 3.158 . 0 0 "[ . 1 . 2]" 1
402 1 77 TYR QD 1 82 VAL QG . . 3.130 2.737 2.525 2.975 . 0 0 "[ . 1 . 2]" 1
403 1 77 TYR HE1 1 82 VAL QG . . 5.440 5.638 5.535 5.826 0.386 3 0 "[ . 1 . 2]" 1
404 1 77 TYR HE2 1 78 GLU QG . . 3.540 3.027 2.929 3.142 . 0 0 "[ . 1 . 2]" 1
405 1 77 TYR HE2 1 82 VAL QG . . 4.660 4.592 4.469 4.789 0.129 1 0 "[ . 1 . 2]" 1
406 1 78 GLU H 1 78 GLU QB . . 3.660 3.389 3.363 3.404 . 0 0 "[ . 1 . 2]" 1
407 1 78 GLU H 1 78 GLU QG . . 3.440 2.824 2.691 2.884 . 0 0 "[ . 1 . 2]" 1
408 1 78 GLU HA 1 79 GLN H . . 3.550 2.730 2.694 2.799 . 0 0 "[ . 1 . 2]" 1
409 1 78 GLU HA 1 80 ASN H . . 4.560 4.291 4.257 4.329 . 0 0 "[ . 1 . 2]" 1
410 1 78 GLU QB 1 79 GLN H . . 3.970 3.862 3.839 3.880 . 0 0 "[ . 1 . 2]" 1
411 1 78 GLU QB 1 80 ASN H . . 4.020 3.450 3.336 3.515 . 0 0 "[ . 1 . 2]" 1
412 1 78 GLU QG 1 79 GLN H . . 4.740 4.645 4.431 4.716 . 0 0 "[ . 1 . 2]" 1
413 1 78 GLU QG 1 80 ASN H . . 5.310 4.902 4.863 4.937 . 0 0 "[ . 1 . 2]" 1
414 1 79 GLN H 1 79 GLN QB . . 3.710 3.452 3.430 3.467 . 0 0 "[ . 1 . 2]" 1
415 1 79 GLN H 1 79 GLN QG . . 3.440 2.856 2.797 2.968 . 0 0 "[ . 1 . 2]" 1
416 1 79 GLN HA 1 80 ASN H . . 3.560 3.233 3.173 3.265 . 0 0 "[ . 1 . 2]" 1
417 1 79 GLN QB 1 80 ASN H . . 3.960 3.594 3.546 3.649 . 0 0 "[ . 1 . 2]" 1
418 1 79 GLN QG 1 80 ASN H . . 4.590 4.452 4.424 4.564 . 0 0 "[ . 1 . 2]" 1
419 1 80 ASN H 1 80 ASN HB2 . . 3.330 2.502 2.313 2.558 . 0 0 "[ . 1 . 2]" 1
420 1 80 ASN H 1 80 ASN QB . . 2.910 2.463 2.284 2.515 . 0 0 "[ . 1 . 2]" 1
421 1 80 ASN H 1 80 ASN HB3 . . 3.330 3.676 3.541 3.720 0.390 3 0 "[ . 1 . 2]" 1
422 1 80 ASN H 1 82 VAL QG . . 4.060 4.011 3.915 4.094 0.034 8 0 "[ . 1 . 2]" 1
423 1 80 ASN HA 1 81 PHE H . . 3.110 2.251 2.178 3.053 . 0 0 "[ . 1 . 2]" 1
424 1 80 ASN QB 1 80 ASN QD . . 2.990 1.915 1.847 2.028 . 0 0 "[ . 1 . 2]" 1
425 1 80 ASN QB 1 81 PHE H . . 3.970 2.594 2.463 3.315 . 0 0 "[ . 1 . 2]" 1
426 1 80 ASN HB2 1 80 ASN HD22 . . 3.890 3.309 3.267 3.399 . 0 0 "[ . 1 . 2]" 1
427 1 80 ASN HB2 1 81 PHE H . . 4.540 3.711 3.548 3.777 . 0 0 "[ . 1 . 2]" 1
428 1 80 ASN HB3 1 80 ASN HD22 . . 3.890 3.833 3.787 3.872 . 0 0 "[ . 1 . 2]" 1
429 1 80 ASN HB3 1 81 PHE H . . 4.540 2.673 2.503 3.978 . 0 0 "[ . 1 . 2]" 1
430 1 81 PHE H 1 81 PHE HB2 . . 3.900 2.578 2.514 2.913 . 0 0 "[ . 1 . 2]" 1
431 1 81 PHE H 1 81 PHE HB3 . . 3.900 2.741 2.619 3.475 . 0 0 "[ . 1 . 2]" 1
432 1 81 PHE H 1 82 VAL QG . . 4.710 4.158 3.739 4.226 . 0 0 "[ . 1 . 2]" 1
433 1 81 PHE HA 1 81 PHE HD1 . . 3.760 2.479 2.219 2.809 . 0 0 "[ . 1 . 2]" 1
434 1 81 PHE HA 1 82 VAL H . . 3.480 2.273 2.171 2.408 . 0 0 "[ . 1 . 2]" 1
435 1 81 PHE HA 1 83 CYS H . . 3.900 3.275 3.177 3.560 . 0 0 "[ . 1 . 2]" 1
436 1 81 PHE QB 1 81 PHE HD1 . . 3.270 2.639 2.500 2.769 . 0 0 "[ . 1 . 2]" 1
437 1 82 VAL H 1 82 VAL QG . . 2.970 1.942 1.888 2.008 . 0 0 "[ . 1 . 2]" 1
438 1 82 VAL QG 1 83 CYS H . . 3.240 3.165 2.945 3.317 0.077 18 0 "[ . 1 . 2]" 1
439 1 82 VAL QG 1 84 LYS H . . 5.050 4.926 4.709 5.147 0.097 5 0 "[ . 1 . 2]" 1
440 1 83 CYS H 1 83 CYS HB2 . . 3.650 2.009 1.928 2.264 . 0 0 "[ . 1 . 2]" 1
441 1 83 CYS H 1 83 CYS QB . . 3.200 1.971 1.896 2.237 . 0 0 "[ . 1 . 2]" 1
442 1 83 CYS H 1 83 CYS HB3 . . 3.650 2.863 2.738 3.509 . 0 0 "[ . 1 . 2]" 1
443 1 83 CYS QB 1 84 LYS H . . 3.930 3.588 2.664 3.806 . 0 0 "[ . 1 . 2]" 1
444 1 83 CYS HB2 1 84 LYS H . . 4.520 4.391 3.961 4.543 0.023 6 0 "[ . 1 . 2]" 1
445 1 83 CYS HB3 1 84 LYS H . . 4.520 3.821 2.708 4.085 . 0 0 "[ . 1 . 2]" 1
446 1 84 LYS H 1 84 LYS QG . . 4.260 2.706 2.532 2.844 . 0 0 "[ . 1 . 2]" 1
447 1 84 LYS HA 1 85 PHE H . . 3.200 2.178 2.108 2.250 . 0 0 "[ . 1 . 2]" 1
448 1 84 LYS QB 1 85 PHE H . . 3.700 2.738 2.584 2.802 . 0 0 "[ . 1 . 2]" 1
449 1 84 LYS HB2 1 85 PHE H . . 4.250 3.874 3.777 3.912 . 0 0 "[ . 1 . 2]" 1
450 1 84 LYS HB3 1 85 PHE H . . 4.250 2.799 2.631 2.871 . 0 0 "[ . 1 . 2]" 1
451 1 84 LYS QD 1 85 PHE H . . 3.940 3.643 3.519 4.134 0.194 6 0 "[ . 1 . 2]" 1
452 1 84 LYS QG 1 85 PHE H . . 3.900 4.452 3.986 4.526 0.626 17 19 "[***** *********-+***]" 1
453 1 85 PHE H 1 85 PHE HB2 . . 4.190 2.783 2.729 2.830 . 0 0 "[ . 1 . 2]" 1
454 1 85 PHE H 1 85 PHE HB3 . . 4.190 3.876 3.833 3.910 . 0 0 "[ . 1 . 2]" 1
455 1 85 PHE HA 1 85 PHE HD1 . . 4.690 2.726 2.519 4.112 . 0 0 "[ . 1 . 2]" 1
456 1 85 PHE HA 1 85 PHE HD2 . . 5.010 4.334 3.087 4.478 . 0 0 "[ . 1 . 2]" 1
457 1 85 PHE QB 1 86 ALA H . . 4.270 2.520 2.418 2.638 . 0 0 "[ . 1 . 2]" 1
458 1 87 PRO QB 1 88 ARG H . . 3.600 3.009 2.905 3.155 . 0 0 "[ . 1 . 2]" 1
459 1 87 PRO HB2 1 88 ARG H . . 4.290 3.145 3.014 3.332 . 0 0 "[ . 1 . 2]" 1
460 1 87 PRO HB3 1 88 ARG H . . 4.290 3.839 3.728 3.903 . 0 0 "[ . 1 . 2]" 1
461 1 88 ARG HA 1 89 GLU H . . 2.780 2.277 2.108 2.441 . 0 0 "[ . 1 . 2]" 1
462 1 88 ARG QB 1 89 GLU H . . 3.740 2.789 1.735 3.462 . 0 0 "[ . 1 . 2]" 1
463 1 88 ARG QD 1 89 GLU H . . 4.560 3.912 2.938 4.530 . 0 0 "[ . 1 . 2]" 1
464 1 88 ARG QG 1 89 GLU H . . 3.510 2.366 1.948 3.543 0.033 17 0 "[ . 1 . 2]" 1
465 1 88 ARG HG2 1 89 GLU H . . 4.070 3.299 2.467 4.023 . 0 0 "[ . 1 . 2]" 1
466 1 88 ARG HG3 1 89 GLU H . . 4.070 2.781 1.955 3.936 . 0 0 "[ . 1 . 2]" 1
467 1 89 GLU H 1 89 GLU QB . . 2.940 2.663 2.344 3.219 0.279 17 0 "[ . 1 . 2]" 1
468 1 89 GLU H 1 89 GLU QG . . 3.090 2.346 1.881 3.043 . 0 0 "[ . 1 . 2]" 1
469 1 89 GLU HA 1 90 GLY H . . 3.510 3.235 1.976 3.629 0.119 1 0 "[ . 1 . 2]" 1
470 1 89 GLU QB 1 90 GLY H . . 3.630 3.086 2.118 3.743 0.113 18 0 "[ . 1 . 2]" 1
471 1 89 GLU QG 1 90 GLY H . . 3.900 3.740 2.305 4.509 0.609 11 3 "[ . 1+ * .- 2]" 1
472 1 91 PHE QB 1 92 ILE H . . 4.410 2.625 2.445 2.935 . 0 0 "[ . 1 . 2]" 1
473 1 92 ILE H 1 92 ILE HB . . 4.120 3.723 3.574 3.899 . 0 0 "[ . 1 . 2]" 1
474 1 92 ILE H 1 92 ILE QG . . 4.670 2.417 2.140 2.588 . 0 0 "[ . 1 . 2]" 1
475 1 92 ILE H 1 92 ILE MG . . 4.120 3.864 3.716 3.948 . 0 0 "[ . 1 . 2]" 1
476 1 92 ILE HA 1 93 ASN H . . 3.520 2.356 2.286 2.472 . 0 0 "[ . 1 . 2]" 1
477 1 92 ILE HB 1 93 ASN H . . 4.060 2.318 2.109 2.451 . 0 0 "[ . 1 . 2]" 1
478 1 92 ILE MD 1 93 ASN H . . 4.970 4.264 4.151 4.464 . 0 0 "[ . 1 . 2]" 1
479 1 92 ILE MD 1 94 TYR QD . . 4.410 4.654 4.312 4.896 0.486 2 0 "[ . 1 . 2]" 1
480 1 92 ILE MD 1 94 TYR QE . . 3.830 3.481 2.917 3.861 0.031 17 0 "[ . 1 . 2]" 1
481 1 92 ILE MG 1 93 ASN H . . 3.900 2.279 2.091 2.749 . 0 0 "[ . 1 . 2]" 1
482 1 92 ILE MG 1 94 TYR QD . . 3.970 5.671 5.356 5.988 2.018 17 20 [************-***+***] 1
483 1 94 TYR HA 1 94 TYR QD . . 4.440 3.094 2.825 3.186 . 0 0 "[ . 1 . 2]" 1
484 1 94 TYR QB 1 95 LEU H . . 4.010 2.877 2.712 3.212 . 0 0 "[ . 1 . 2]" 1
485 1 94 TYR HB2 1 95 LEU H . . 4.570 3.994 3.887 4.207 . 0 0 "[ . 1 . 2]" 1
486 1 94 TYR HB3 1 95 LEU H . . 4.570 2.950 2.768 3.332 . 0 0 "[ . 1 . 2]" 1
487 1 95 LEU H 1 95 LEU QD . . 3.820 2.622 2.451 2.696 . 0 0 "[ . 1 . 2]" 1
488 1 95 LEU HA 1 96 THR H . . 3.520 2.363 2.292 2.420 . 0 0 "[ . 1 . 2]" 1
489 1 95 LEU QB 1 100 TYR QD . . 3.680 2.028 1.924 2.154 . 0 0 "[ . 1 . 2]" 1
490 1 95 LEU QB 1 100 TYR QE . . 5.150 4.194 4.070 4.336 . 0 0 "[ . 1 . 2]" 1
491 1 95 LEU HB2 1 96 THR H . . 4.540 3.772 3.571 3.949 . 0 0 "[ . 1 . 2]" 1
492 1 95 LEU HB3 1 96 THR H . . 4.540 2.597 2.396 2.783 . 0 0 "[ . 1 . 2]" 1
493 1 95 LEU QD 1 96 THR H . . 3.950 3.368 3.276 3.478 . 0 0 "[ . 1 . 2]" 1
494 1 95 LEU QD 1 100 TYR QD . . 3.290 2.723 2.377 3.142 . 0 0 "[ . 1 . 2]" 1
495 1 95 LEU QD 1 100 TYR QE . . 3.870 3.671 3.242 4.188 0.318 19 0 "[ . 1 . 2]" 1
496 1 95 LEU QD 1 103 TYR H . . 4.820 4.236 3.977 4.434 . 0 0 "[ . 1 . 2]" 1
497 1 95 LEU QD 1 103 TYR QD . . 3.480 2.248 2.089 2.613 . 0 0 "[ . 1 . 2]" 1
498 1 95 LEU QD 1 103 TYR QE . . 3.710 2.855 2.715 3.131 . 0 0 "[ . 1 . 2]" 1
499 1 95 LEU HG 1 100 TYR QD . . 4.350 2.879 2.565 3.051 . 0 0 "[ . 1 . 2]" 1
500 1 95 LEU HG 1 100 TYR QE . . 5.500 4.757 4.449 4.961 . 0 0 "[ . 1 . 2]" 1
501 1 96 THR H 1 96 THR MG . . 3.930 2.382 2.242 2.615 . 0 0 "[ . 1 . 2]" 1
502 1 96 THR H 1 99 VAL MG1 . . 4.780 3.025 1.797 4.306 . 0 0 "[ . 1 . 2]" 1
503 1 96 THR H 1 99 VAL QG . . 3.500 1.904 1.796 1.982 . 0 0 "[ . 1 . 2]" 1
504 1 96 THR H 1 99 VAL MG2 . . 4.780 3.302 1.914 4.683 . 0 0 "[ . 1 . 2]" 1
505 1 96 THR HA 1 97 ARG H . . 3.520 2.371 2.310 2.444 . 0 0 "[ . 1 . 2]" 1
506 1 96 THR HA 1 98 GLU H . . 4.420 4.098 3.969 4.248 . 0 0 "[ . 1 . 2]" 1
507 1 96 THR HB 1 97 ARG H . . 3.710 2.303 2.153 2.407 . 0 0 "[ . 1 . 2]" 1
508 1 96 THR HB 1 98 GLU H . . 4.170 2.670 2.518 3.027 . 0 0 "[ . 1 . 2]" 1
509 1 96 THR MG 1 97 ARG H . . 3.710 3.672 3.590 3.744 0.034 19 0 "[ . 1 . 2]" 1
510 1 96 THR MG 1 98 GLU H . . 4.150 3.998 3.852 4.220 0.070 20 0 "[ . 1 . 2]" 1
511 1 97 ARG H 1 97 ARG QB . . 3.390 2.432 2.276 2.643 . 0 0 "[ . 1 . 2]" 1
512 1 97 ARG H 1 97 ARG QD . . 4.270 3.532 2.093 4.326 0.056 12 0 "[ . 1 . 2]" 1
513 1 97 ARG H 1 97 ARG QG . . 3.650 2.418 1.905 3.588 . 0 0 "[ . 1 . 2]" 1
514 1 97 ARG HA 1 100 TYR H . . 4.150 3.886 3.663 4.113 . 0 0 "[ . 1 . 2]" 1
515 1 97 ARG HA 1 100 TYR QD . . 5.500 4.593 4.231 4.846 . 0 0 "[ . 1 . 2]" 1
516 1 97 ARG QB 1 98 GLU H . . 3.570 3.677 2.798 3.832 0.262 9 0 "[ . 1 . 2]" 1
517 1 97 ARG QG 1 98 GLU H . . 4.090 2.902 2.376 3.987 . 0 0 "[ . 1 . 2]" 1
518 1 98 GLU H 1 98 GLU QB . . 3.310 2.222 2.064 2.369 . 0 0 "[ . 1 . 2]" 1
519 1 98 GLU H 1 98 GLU QG . . 3.640 4.047 3.900 4.143 0.503 18 1 "[ . 1 . + 2]" 1
520 1 98 GLU H 1 99 VAL QG . . 4.430 3.851 3.493 4.139 . 0 0 "[ . 1 . 2]" 1
521 1 98 GLU QB 1 99 VAL H . . 3.980 2.653 2.251 3.085 . 0 0 "[ . 1 . 2]" 1
522 1 98 GLU QG 1 99 VAL H . . 4.350 4.079 3.417 4.499 0.149 14 0 "[ . 1 . 2]" 1
523 1 99 VAL H 1 99 VAL HB . . 4.140 3.179 2.459 3.840 . 0 0 "[ . 1 . 2]" 1
524 1 99 VAL H 1 99 VAL MG1 . . 3.950 2.666 2.425 2.966 . 0 0 "[ . 1 . 2]" 1
525 1 99 VAL H 1 99 VAL QG . . 3.170 2.267 1.956 2.554 . 0 0 "[ . 1 . 2]" 1
526 1 99 VAL H 1 99 VAL MG2 . . 3.950 2.953 1.997 3.926 . 0 0 "[ . 1 . 2]" 1
527 1 99 VAL QG 1 100 TYR H . . 3.870 2.626 2.503 2.731 . 0 0 "[ . 1 . 2]" 1
528 1 99 VAL QG 1 100 TYR QD . . 4.830 4.637 4.441 4.762 . 0 0 "[ . 1 . 2]" 1
529 1 100 TYR H 1 100 TYR HB2 . . 3.960 2.473 2.424 2.528 . 0 0 "[ . 1 . 2]" 1
530 1 100 TYR H 1 100 TYR HB3 . . 4.070 2.515 2.423 2.582 . 0 0 "[ . 1 . 2]" 1
531 1 100 TYR H 1 100 TYR QD . . 5.230 4.225 4.184 4.260 . 0 0 "[ . 1 . 2]" 1
532 1 100 TYR HA 1 100 TYR QD . . 3.420 2.729 2.553 2.892 . 0 0 "[ . 1 . 2]" 1
533 1 100 TYR HA 1 100 TYR QE . . 5.120 4.653 4.594 4.727 . 0 0 "[ . 1 . 2]" 1
534 1 100 TYR HB2 1 100 TYR QE . . 4.810 4.538 4.513 4.580 . 0 0 "[ . 1 . 2]" 1
535 1 100 TYR HB3 1 100 TYR QE . . 4.930 4.491 4.442 4.522 . 0 0 "[ . 1 . 2]" 1
536 1 100 TYR QD 1 104 ARG H . . 5.500 4.824 4.683 4.967 . 0 0 "[ . 1 . 2]" 1
537 1 100 TYR QD 1 104 ARG QB . . 4.600 4.520 4.317 4.715 0.115 19 0 "[ . 1 . 2]" 1
538 1 100 TYR QE 1 104 ARG QB . . 4.580 4.301 4.212 4.374 . 0 0 "[ . 1 . 2]" 1
539 1 100 TYR QE 1 104 ARG QD . . 3.990 3.112 2.742 4.000 0.010 18 0 "[ . 1 . 2]" 1
540 1 100 TYR QE 1 104 ARG HG2 . . 4.690 3.289 2.849 3.480 . 0 0 "[ . 1 . 2]" 1
541 1 100 TYR QE 1 104 ARG QG . . 3.850 2.623 2.441 2.819 . 0 0 "[ . 1 . 2]" 1
542 1 100 TYR QE 1 104 ARG HG3 . . 4.690 2.764 2.544 3.040 . 0 0 "[ . 1 . 2]" 1
543 1 101 ARG H 1 101 ARG QB . . 3.250 2.495 2.371 2.613 . 0 0 "[ . 1 . 2]" 1
544 1 101 ARG H 1 101 ARG QD . . 4.140 3.667 3.104 4.227 0.087 2 0 "[ . 1 . 2]" 1
545 1 101 ARG H 1 101 ARG HG2 . . 4.150 2.705 1.887 3.539 . 0 0 "[ . 1 . 2]" 1
546 1 101 ARG H 1 101 ARG QG . . 3.590 2.068 1.879 2.252 . 0 0 "[ . 1 . 2]" 1
547 1 101 ARG H 1 101 ARG HG3 . . 4.150 2.767 1.949 3.662 . 0 0 "[ . 1 . 2]" 1
548 1 101 ARG QB 1 102 SER H . . 3.650 2.820 2.349 3.644 . 0 0 "[ . 1 . 2]" 1
549 1 101 ARG QG 1 102 SER H . . 4.270 3.476 2.254 4.041 . 0 0 "[ . 1 . 2]" 1
550 1 102 SER H 1 102 SER HB2 . . 3.990 2.593 2.434 2.824 . 0 0 "[ . 1 . 2]" 1
551 1 102 SER H 1 102 SER HB3 . . 3.990 3.056 2.469 3.644 . 0 0 "[ . 1 . 2]" 1
552 1 102 SER QB 1 103 TYR H . . 4.270 2.596 2.504 2.694 . 0 0 "[ . 1 . 2]" 1
553 1 103 TYR H 1 103 TYR HB2 . . 4.130 2.314 2.225 2.423 . 0 0 "[ . 1 . 2]" 1
554 1 103 TYR H 1 103 TYR QB . . 3.530 2.173 2.130 2.205 . 0 0 "[ . 1 . 2]" 1
555 1 103 TYR H 1 103 TYR HB3 . . 4.130 2.655 2.515 2.773 . 0 0 "[ . 1 . 2]" 1
556 1 103 TYR H 1 103 TYR QD . . 3.920 4.146 4.058 4.216 0.296 20 0 "[ . 1 . 2]" 1
557 1 103 TYR H 1 103 TYR QE . . 4.990 6.235 6.168 6.285 1.295 20 20 [-******************+] 1
558 1 103 TYR HA 1 103 TYR QD . . 4.420 2.994 2.804 3.141 . 0 0 "[ . 1 . 2]" 1
559 1 103 TYR HA 1 103 TYR QE . . 4.980 4.643 4.516 4.760 . 0 0 "[ . 1 . 2]" 1
560 1 103 TYR QB 1 104 ARG H . . 4.000 2.651 2.558 2.725 . 0 0 "[ . 1 . 2]" 1
561 1 103 TYR HB2 1 104 ARG H . . 4.560 3.813 3.707 3.937 . 0 0 "[ . 1 . 2]" 1
562 1 103 TYR HB3 1 104 ARG H . . 4.560 2.705 2.600 2.789 . 0 0 "[ . 1 . 2]" 1
563 1 104 ARG H 1 104 ARG HB2 . . 3.880 2.320 2.172 2.424 . 0 0 "[ . 1 . 2]" 1
564 1 104 ARG H 1 104 ARG HB3 . . 3.880 3.597 3.473 3.768 . 0 0 "[ . 1 . 2]" 1
565 1 104 ARG H 1 104 ARG HG2 . . 4.150 2.734 2.506 3.071 . 0 0 "[ . 1 . 2]" 1
566 1 104 ARG H 1 104 ARG HG3 . . 4.150 3.890 3.708 4.114 . 0 0 "[ . 1 . 2]" 1
567 1 104 ARG HA 1 107 VAL H . . 4.110 3.442 3.291 3.646 . 0 0 "[ . 1 . 2]" 1
568 1 104 ARG HA 1 108 ASP H . . 4.420 4.042 3.696 4.452 0.032 6 0 "[ . 1 . 2]" 1
569 1 104 ARG HB2 1 105 GLN H . . 4.150 3.053 2.925 3.359 . 0 0 "[ . 1 . 2]" 1
570 1 104 ARG HB3 1 105 GLN H . . 4.150 3.734 3.491 3.966 . 0 0 "[ . 1 . 2]" 1
571 1 105 GLN H 1 105 GLN QB . . 3.060 2.321 2.126 2.401 . 0 0 "[ . 1 . 2]" 1
572 1 105 GLN H 1 105 GLN HG2 . . 4.170 2.910 2.198 3.766 . 0 0 "[ . 1 . 2]" 1
573 1 105 GLN H 1 105 GLN QG . . 3.340 2.453 2.179 2.920 . 0 0 "[ . 1 . 2]" 1
574 1 105 GLN H 1 105 GLN HG3 . . 4.170 3.303 2.295 4.157 . 0 0 "[ . 1 . 2]" 1
575 1 105 GLN QB 1 106 LEU H . . 3.530 3.364 3.000 3.827 0.297 4 0 "[ . 1 . 2]" 1
576 1 106 LEU H 1 106 LEU HB2 . . 3.790 3.702 3.661 3.814 0.024 5 0 "[ . 1 . 2]" 1
577 1 106 LEU H 1 106 LEU QB . . 3.220 2.863 2.781 3.017 . 0 0 "[ . 1 . 2]" 1
578 1 106 LEU H 1 106 LEU HB3 . . 3.790 2.980 2.877 3.161 . 0 0 "[ . 1 . 2]" 1
579 1 106 LEU H 1 106 LEU MD1 . . 4.150 3.272 3.069 3.450 . 0 0 "[ . 1 . 2]" 1
580 1 106 LEU H 1 106 LEU QD . . 3.380 2.990 2.881 3.132 . 0 0 "[ . 1 . 2]" 1
581 1 106 LEU H 1 106 LEU MD2 . . 4.150 3.479 3.349 3.623 . 0 0 "[ . 1 . 2]" 1
582 1 106 LEU H 1 106 LEU HG . . 3.540 2.005 1.916 2.174 . 0 0 "[ . 1 . 2]" 1
583 1 106 LEU H 1 107 VAL QG . . 4.050 3.319 2.980 3.416 . 0 0 "[ . 1 . 2]" 1
584 1 106 LEU QB 1 107 VAL H . . 3.680 3.851 3.771 3.877 0.197 1 0 "[ . 1 . 2]" 1
585 1 106 LEU HB2 1 107 VAL H . . 4.210 4.262 4.188 4.301 0.091 19 0 "[ . 1 . 2]" 1
586 1 106 LEU HB3 1 107 VAL H . . 4.210 4.392 4.282 4.436 0.226 8 0 "[ . 1 . 2]" 1
587 1 106 LEU QD 1 107 VAL H . . 4.230 3.113 2.803 3.356 . 0 0 "[ . 1 . 2]" 1
588 1 107 VAL H 1 107 VAL HB . . 3.810 3.853 3.765 3.896 0.086 19 0 "[ . 1 . 2]" 1
589 1 107 VAL H 1 107 VAL QG . . 3.080 2.161 1.981 2.213 . 0 0 "[ . 1 . 2]" 1
590 1 107 VAL HB 1 108 ASP H . . 3.990 4.038 3.876 4.138 0.148 18 0 "[ . 1 . 2]" 1
591 1 107 VAL QG 1 108 ASP H . . 3.440 2.618 2.337 2.848 . 0 0 "[ . 1 . 2]" 1
592 1 108 ASP H 1 108 ASP QB . . 3.150 2.448 2.289 2.685 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 16, 2024 1:51:26 AM GMT (wattos1)