NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565534 |
2m7g   |
19185 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m7g
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 760
_Distance_constraint_stats_list.Viol_count 1752
_Distance_constraint_stats_list.Viol_total 3788.277
_Distance_constraint_stats_list.Viol_max 0.468
_Distance_constraint_stats_list.Viol_rms 0.0546
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.1201
_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 THR 5.516 0.294 10 0 "[ . 1 . ]"
1 3 LEU 1.265 0.196 12 0 "[ . 1 . ]"
1 4 ILE 8.604 0.294 10 0 "[ . 1 . ]"
1 5 GLU 4.485 0.292 17 0 "[ . 1 . ]"
1 6 LEU 4.888 0.261 12 0 "[ . 1 . ]"
1 7 LEU 6.152 0.344 11 0 "[ . 1 . ]"
1 8 ILE 14.386 0.468 15 0 "[ . 1 . ]"
1 9 VAL 10.480 0.403 14 0 "[ . 1 . ]"
1 10 VAL 12.370 0.427 14 0 "[ . 1 . ]"
1 11 ALA 3.423 0.206 6 0 "[ . 1 . ]"
1 12 ILE 3.912 0.164 8 0 "[ . 1 . ]"
1 13 ILE 8.057 0.354 3 0 "[ . 1 . ]"
1 14 GLY 1.346 0.082 5 0 "[ . 1 . ]"
1 15 ILE 9.423 0.312 3 0 "[ . 1 . ]"
1 16 LEU 4.229 0.262 1 0 "[ . 1 . ]"
1 17 ALA 1.700 0.087 12 0 "[ . 1 . ]"
1 18 ALA 5.232 0.231 9 0 "[ . 1 . ]"
1 19 ILE 17.709 0.440 9 0 "[ . 1 . ]"
1 20 ALA 12.409 0.332 8 0 "[ . 1 . ]"
1 21 ILE 14.319 0.313 11 0 "[ . 1 . ]"
1 22 PRO 9.292 0.400 13 0 "[ . 1 . ]"
1 23 GLN 10.270 0.308 12 0 "[ . 1 . ]"
1 24 PHE 12.501 0.400 13 0 "[ . 1 . ]"
1 25 SER 5.596 0.313 11 0 "[ . 1 . ]"
1 26 ALA 1.590 0.101 12 0 "[ . 1 . ]"
1 27 TYR 9.588 0.255 8 0 "[ . 1 . ]"
1 28 ARG 5.172 0.365 3 0 "[ . 1 . ]"
1 29 VAL 13.501 0.255 8 0 "[ . 1 . ]"
1 30 LYS 11.530 0.343 5 0 "[ . 1 . ]"
1 31 ALA 8.313 0.466 1 0 "[ . 1 . ]"
1 32 TYR 8.589 0.285 5 0 "[ . 1 . ]"
1 33 ASN 11.805 0.285 5 0 "[ . 1 . ]"
1 34 SER 9.620 0.317 18 0 "[ . 1 . ]"
1 35 ALA 3.060 0.211 9 0 "[ . 1 . ]"
1 36 ALA 6.968 0.466 1 0 "[ . 1 . ]"
1 37 SER 0.003 0.003 18 0 "[ . 1 . ]"
1 38 SER 8.059 0.270 2 0 "[ . 1 . ]"
1 39 ASP 7.538 0.245 10 0 "[ . 1 . ]"
1 40 LEU 5.239 0.289 7 0 "[ . 1 . ]"
1 41 ARG 6.389 0.245 10 0 "[ . 1 . ]"
1 42 ASN 2.798 0.193 14 0 "[ . 1 . ]"
1 43 LEU 3.188 0.180 14 0 "[ . 1 . ]"
1 44 LYS 6.896 0.257 17 0 "[ . 1 . ]"
1 45 THR 10.609 0.293 4 0 "[ . 1 . ]"
1 46 ALA 4.496 0.293 4 0 "[ . 1 . ]"
1 47 LEU 1.809 0.199 12 0 "[ . 1 . ]"
1 48 GLU 5.843 0.329 2 0 "[ . 1 . ]"
1 49 SER 2.327 0.141 7 0 "[ . 1 . ]"
1 50 ALA 3.954 0.285 10 0 "[ . 1 . ]"
1 51 PHE 3.378 0.252 1 0 "[ . 1 . ]"
1 52 ALA 5.104 0.285 10 0 "[ . 1 . ]"
1 53 ASP 1.285 0.234 15 0 "[ . 1 . ]"
1 54 ASP 0.304 0.155 7 0 "[ . 1 . ]"
1 55 GLN 1.150 0.196 4 0 "[ . 1 . ]"
1 56 THR 1.088 0.195 4 0 "[ . 1 . ]"
1 57 TYR 0.909 0.195 4 0 "[ . 1 . ]"
1 58 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 59 PRO 0.333 0.259 7 0 "[ . 1 . ]"
1 60 GLU 1.122 0.259 7 0 "[ . 1 . ]"
1 61 SER 0.087 0.074 18 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 45 THR H 1 45 THR HB 3.240 . 3.240 2.406 2.319 2.486 . 0 0 "[ . 1 . ]" 1
2 1 16 LEU HG 1 17 ALA H 4.440 . 4.440 4.235 4.094 4.376 . 0 0 "[ . 1 . ]" 1
3 1 11 ALA MB 1 14 GLY H 4.800 . 4.800 4.649 4.576 4.746 . 0 0 "[ . 1 . ]" 1
4 1 13 ILE HG13 1 14 GLY H 6.000 . 6.000 4.601 4.401 5.255 . 0 0 "[ . 1 . ]" 1
5 1 37 SER H 1 37 SER HB3 4.130 . 4.130 3.270 2.507 3.652 . 0 0 "[ . 1 . ]" 1
6 1 34 SER HB3 1 36 ALA H 5.810 . 5.810 4.964 4.706 5.750 . 0 0 "[ . 1 . ]" 1
7 1 34 SER HB2 1 36 ALA H 5.810 . 5.810 5.707 4.954 5.894 0.084 14 0 "[ . 1 . ]" 1
8 1 37 SER H 1 39 ASP QB 6.000 . 6.000 4.825 4.560 5.341 . 0 0 "[ . 1 . ]" 1
9 1 57 TYR H 1 58 PRO HD3 6.000 . 6.000 4.469 3.454 5.283 . 0 0 "[ . 1 . ]" 1
10 1 28 ARG QB 1 32 TYR H 6.000 . 6.000 4.796 4.580 5.074 . 0 0 "[ . 1 . ]" 1
11 1 9 VAL HB 1 11 ALA H 5.910 . 5.910 5.253 4.884 5.812 . 0 0 "[ . 1 . ]" 1
12 1 46 ALA H 1 47 LEU QB 4.620 . 4.620 4.518 4.279 4.743 0.123 12 0 "[ . 1 . ]" 1
13 1 38 SER H 1 41 ARG QB 5.680 . 5.680 4.657 4.264 5.087 . 0 0 "[ . 1 . ]" 1
14 1 15 ILE H 1 17 ALA H 4.800 . 4.800 4.162 4.038 4.265 . 0 0 "[ . 1 . ]" 1
15 1 17 ALA H 1 18 ALA MB 4.870 . 4.870 4.241 4.176 4.309 . 0 0 "[ . 1 . ]" 1
16 1 17 ALA H 1 20 ALA MB 5.200 . 5.200 4.515 4.354 4.789 . 0 0 "[ . 1 . ]" 1
17 1 43 LEU H 1 44 LYS HA 5.520 . 5.520 5.162 5.090 5.242 . 0 0 "[ . 1 . ]" 1
18 1 41 ARG HA 1 43 LEU H 4.590 . 4.590 4.429 4.189 4.687 0.097 1 0 "[ . 1 . ]" 1
19 1 41 ARG QB 1 43 LEU H 4.970 . 4.970 4.756 4.611 4.923 . 0 0 "[ . 1 . ]" 1
20 1 18 ALA H 1 19 ILE HG13 5.610 . 5.610 4.333 4.239 4.404 . 0 0 "[ . 1 . ]" 1
21 1 43 LEU QB 1 46 ALA H 6.000 . 6.000 5.098 4.920 5.293 . 0 0 "[ . 1 . ]" 1
22 1 40 LEU H 1 41 ARG HA 5.540 . 5.540 5.217 5.126 5.334 . 0 0 "[ . 1 . ]" 1
23 1 8 ILE H 1 9 VAL HB 5.270 . 5.270 4.907 4.688 5.160 . 0 0 "[ . 1 . ]" 1
24 1 2 THR H 1 5 GLU HA 6.000 . 6.000 5.977 5.010 6.292 0.292 17 0 "[ . 1 . ]" 1
25 1 57 TYR H 1 58 PRO HD2 6.000 . 6.000 4.998 4.508 5.441 . 0 0 "[ . 1 . ]" 1
26 1 46 ALA MB 1 50 ALA H 5.260 . 5.260 4.861 4.483 5.191 . 0 0 "[ . 1 . ]" 1
27 1 50 ALA H 1 52 ALA MB 5.620 . 5.620 4.901 4.403 5.740 0.120 4 0 "[ . 1 . ]" 1
28 1 17 ALA MB 1 19 ILE H 4.940 . 4.940 4.467 4.368 4.548 . 0 0 "[ . 1 . ]" 1
29 1 2 THR H 1 5 GLU H 5.110 . 5.110 4.169 3.486 4.584 . 0 0 "[ . 1 . ]" 1
30 1 52 ALA H 1 53 ASP HB2 6.000 . 6.000 5.033 4.486 6.234 0.234 15 0 "[ . 1 . ]" 1
31 1 52 ALA H 1 53 ASP HB3 6.000 . 6.000 5.071 4.581 6.102 0.102 9 0 "[ . 1 . ]" 1
32 1 29 VAL QG 1 32 TYR H 5.450 . 5.450 4.427 4.102 4.611 . 0 0 "[ . 1 . ]" 1
33 1 26 ALA H 1 27 TYR HB2 5.590 . 5.590 5.037 4.660 5.209 . 0 0 "[ . 1 . ]" 1
34 1 43 LEU QD 1 45 THR H 6.000 . 6.000 5.545 4.396 5.727 . 0 0 "[ . 1 . ]" 1
35 1 45 THR H 1 47 LEU QD 6.000 . 6.000 5.390 4.670 6.080 0.080 7 0 "[ . 1 . ]" 1
36 1 47 LEU QD 1 49 SER H 6.000 . 6.000 5.254 4.709 5.862 . 0 0 "[ . 1 . ]" 1
37 1 48 GLU HB2 1 49 SER H 4.220 . 4.220 3.196 2.472 4.081 . 0 0 "[ . 1 . ]" 1
38 1 48 GLU HB3 1 49 SER H 4.220 . 4.220 3.664 2.255 4.132 . 0 0 "[ . 1 . ]" 1
39 1 47 LEU QD 1 51 PHE H 6.000 . 6.000 4.672 3.161 5.500 . 0 0 "[ . 1 . ]" 1
40 1 44 LYS QD 1 45 THR H 5.860 . 5.860 4.585 3.472 5.311 . 0 0 "[ . 1 . ]" 1
41 1 32 TYR H 1 35 ALA H 6.000 . 6.000 4.931 4.796 5.065 . 0 0 "[ . 1 . ]" 1
42 1 43 LEU QB 1 45 THR H 4.880 . 4.880 4.883 4.743 5.060 0.180 14 0 "[ . 1 . ]" 1
43 1 55 GLN QG 1 56 THR H 4.730 . 4.730 3.997 2.335 4.916 0.186 11 0 "[ . 1 . ]" 1
44 1 23 GLN H 1 26 ALA MB 6.000 . 6.000 4.850 4.620 4.949 . 0 0 "[ . 1 . ]" 1
45 1 25 SER H 1 26 ALA MB 6.000 . 6.000 4.475 4.332 4.572 . 0 0 "[ . 1 . ]" 1
46 1 21 ILE HG13 1 25 SER H 6.000 . 6.000 6.140 5.942 6.313 0.313 11 0 "[ . 1 . ]" 1
47 1 2 THR H 1 6 LEU H 5.850 . 5.850 4.822 4.186 5.412 . 0 0 "[ . 1 . ]" 1
48 1 18 ALA H 1 21 ILE MD 4.090 . 4.090 4.251 4.142 4.321 0.231 9 0 "[ . 1 . ]" 1
49 1 44 LYS HB2 1 45 THR H 4.300 . 4.300 3.863 3.721 4.006 . 0 0 "[ . 1 . ]" 1
50 1 39 ASP H 1 42 ASN QB 5.050 . 5.050 4.690 4.545 4.993 . 0 0 "[ . 1 . ]" 1
51 1 3 LEU QB 1 7 LEU H 5.150 . 5.150 4.791 4.397 5.316 0.166 10 0 "[ . 1 . ]" 1
52 1 7 LEU H 1 7 LEU HG 4.650 . 4.650 4.176 2.349 4.554 . 0 0 "[ . 1 . ]" 1
53 1 46 ALA MB 1 48 GLU H 5.090 . 5.090 4.562 4.312 4.944 . 0 0 "[ . 1 . ]" 1
54 1 59 PRO HA 1 61 SER H 6.000 . 6.000 4.809 3.602 6.074 0.074 18 0 "[ . 1 . ]" 1
55 1 6 LEU HG 1 7 LEU H 4.210 . 4.210 3.799 2.349 4.363 0.153 17 0 "[ . 1 . ]" 1
56 1 18 ALA H 1 19 ILE HG12 5.820 . 5.820 5.787 5.694 5.837 0.017 8 0 "[ . 1 . ]" 1
57 1 2 THR MG 1 6 LEU H 6.000 . 6.000 4.581 3.522 5.792 . 0 0 "[ . 1 . ]" 1
58 1 6 LEU HB3 1 8 ILE H 6.000 . 6.000 5.806 5.623 6.024 0.024 10 0 "[ . 1 . ]" 1
59 1 46 ALA HA 1 49 SER H 4.000 . 4.000 3.791 3.382 4.062 0.062 17 0 "[ . 1 . ]" 1
60 1 44 LYS HB3 1 45 THR H 3.680 . 3.680 2.567 2.379 2.804 . 0 0 "[ . 1 . ]" 1
61 1 3 LEU QB 1 6 LEU H 5.800 . 5.800 5.030 4.767 5.401 . 0 0 "[ . 1 . ]" 1
62 1 42 ASN QB 1 45 THR H 5.900 . 5.900 5.254 4.897 5.464 . 0 0 "[ . 1 . ]" 1
63 1 51 PHE H 1 51 PHE HB2 3.710 . 3.710 2.527 2.313 2.989 . 0 0 "[ . 1 . ]" 1
64 1 5 GLU HG2 1 6 LEU H 5.480 . 5.480 4.565 4.148 5.043 . 0 0 "[ . 1 . ]" 1
65 1 16 LEU H 1 16 LEU HG 2.830 . 2.830 2.289 2.145 2.430 . 0 0 "[ . 1 . ]" 1
66 1 46 ALA MB 1 47 LEU H 3.420 . 3.420 2.462 2.225 2.722 . 0 0 "[ . 1 . ]" 1
67 1 41 ARG QG 1 42 ASN H 6.000 . 6.000 3.820 3.325 4.287 . 0 0 "[ . 1 . ]" 1
68 1 16 LEU H 1 19 ILE MG 5.550 . 5.550 5.350 5.116 5.527 . 0 0 "[ . 1 . ]" 1
69 1 47 LEU H 1 47 LEU QD 3.690 . 3.690 3.074 2.128 3.787 0.097 10 0 "[ . 1 . ]" 1
70 1 5 GLU H 1 8 ILE MD 4.170 . 4.170 4.138 3.986 4.241 0.071 10 0 "[ . 1 . ]" 1
71 1 4 ILE MD 1 5 GLU H 4.590 . 4.590 4.644 4.263 4.704 0.114 9 0 "[ . 1 . ]" 1
72 1 2 THR MG 1 5 GLU H 4.900 . 4.900 2.697 1.632 4.114 . 0 0 "[ . 1 . ]" 1
73 1 48 GLU HA 1 51 PHE H 4.890 . 4.890 3.718 2.975 4.546 . 0 0 "[ . 1 . ]" 1
74 1 45 THR H 1 46 ALA MB 5.450 . 5.450 4.235 4.047 4.344 . 0 0 "[ . 1 . ]" 1
75 1 47 LEU HA 1 51 PHE H 4.480 . 4.480 4.026 3.167 4.485 0.005 14 0 "[ . 1 . ]" 1
76 1 49 SER HA 1 51 PHE H 4.780 . 4.780 4.651 4.270 4.921 0.141 7 0 "[ . 1 . ]" 1
77 1 31 ALA MB 1 33 ASN H 5.030 . 5.030 4.536 4.289 4.855 . 0 0 "[ . 1 . ]" 1
78 1 33 ASN H 1 36 ALA MB 4.350 . 4.350 4.379 3.897 4.558 0.208 14 0 "[ . 1 . ]" 1
79 1 55 GLN H 1 55 GLN QG 4.170 . 4.170 2.878 1.955 4.169 . 0 0 "[ . 1 . ]" 1
80 1 13 ILE MG 1 17 ALA H 4.740 . 4.740 4.001 3.846 4.242 . 0 0 "[ . 1 . ]" 1
81 1 16 LEU MD2 1 17 ALA H 5.070 . 5.070 4.514 4.477 4.568 . 0 0 "[ . 1 . ]" 1
82 1 17 ALA H 1 19 ILE MG 6.000 . 6.000 5.686 5.566 5.801 . 0 0 "[ . 1 . ]" 1
83 1 6 LEU HB2 1 9 VAL H 6.000 . 6.000 5.700 5.277 5.899 . 0 0 "[ . 1 . ]" 1
84 1 6 LEU HB3 1 9 VAL H 6.000 . 6.000 5.654 5.467 5.972 . 0 0 "[ . 1 . ]" 1
85 1 5 GLU H 1 6 LEU HA 5.500 . 5.500 5.394 5.301 5.463 . 0 0 "[ . 1 . ]" 1
86 1 49 SER H 1 51 PHE H 4.850 . 4.850 4.278 3.951 4.516 . 0 0 "[ . 1 . ]" 1
87 1 5 GLU H 1 7 LEU H 5.360 . 5.360 4.206 3.982 4.318 . 0 0 "[ . 1 . ]" 1
88 1 8 ILE H 1 9 VAL HA 5.800 . 5.800 5.341 5.222 5.414 . 0 0 "[ . 1 . ]" 1
89 1 5 GLU H 1 8 ILE H 5.110 . 5.110 4.835 4.665 4.954 . 0 0 "[ . 1 . ]" 1
90 1 51 PHE H 1 53 ASP H 4.270 . 4.270 4.145 3.803 4.429 0.159 4 0 "[ . 1 . ]" 1
91 1 54 ASP HA 1 56 THR H 6.000 . 6.000 3.767 2.852 4.676 . 0 0 "[ . 1 . ]" 1
92 1 17 ALA H 1 19 ILE HG13 4.400 . 4.400 4.444 4.401 4.484 0.084 7 0 "[ . 1 . ]" 1
93 1 20 ALA HA 1 24 PHE H 4.020 . 4.020 4.052 3.931 4.140 0.120 9 0 "[ . 1 . ]" 1
94 1 16 LEU QB 1 17 ALA H 3.630 . 3.630 2.614 2.528 2.695 . 0 0 "[ . 1 . ]" 1
95 1 40 LEU H 1 40 LEU MD2 4.210 . 4.210 3.383 2.436 4.014 . 0 0 "[ . 1 . ]" 1
96 1 15 ILE HB 1 18 ALA H 5.820 . 5.820 5.714 5.566 5.854 0.034 18 0 "[ . 1 . ]" 1
97 1 43 LEU H 1 43 LEU QD 3.720 . 3.720 3.191 3.032 3.267 . 0 0 "[ . 1 . ]" 1
98 1 46 ALA H 1 47 LEU H 2.830 . 2.830 2.722 2.576 2.832 0.002 2 0 "[ . 1 . ]" 1
99 1 47 LEU QD 1 50 ALA H 5.010 . 5.010 4.837 4.438 5.092 0.082 17 0 "[ . 1 . ]" 1
100 1 28 ARG HA 1 30 LYS H 5.820 . 5.820 4.617 4.485 4.787 . 0 0 "[ . 1 . ]" 1
101 1 11 ALA MB 1 13 ILE H 4.760 . 4.760 4.654 4.578 4.719 . 0 0 "[ . 1 . ]" 1
102 1 26 ALA MB 1 30 LYS H 5.610 . 5.610 4.427 4.091 4.630 . 0 0 "[ . 1 . ]" 1
103 1 30 LYS H 1 31 ALA MB 5.940 . 5.940 4.357 4.213 4.488 . 0 0 "[ . 1 . ]" 1
104 1 45 THR H 1 45 THR MG 3.820 . 3.820 2.447 2.293 2.603 . 0 0 "[ . 1 . ]" 1
105 1 9 VAL H 1 10 VAL HB 6.000 . 6.000 4.926 4.636 5.188 . 0 0 "[ . 1 . ]" 1
106 1 41 ARG QD 1 42 ASN H 5.980 . 5.980 4.831 4.299 5.387 . 0 0 "[ . 1 . ]" 1
107 1 4 ILE H 1 6 LEU HG 6.000 . 6.000 4.933 4.087 5.415 . 0 0 "[ . 1 . ]" 1
108 1 42 ASN H 1 43 LEU QD 6.000 . 6.000 4.837 4.520 4.969 . 0 0 "[ . 1 . ]" 1
109 1 41 ARG QB 1 42 ASN H 5.080 . 5.080 2.562 2.296 2.771 . 0 0 "[ . 1 . ]" 1
110 1 38 SER H 1 42 ASN QB 6.000 . 6.000 6.065 5.939 6.169 0.169 11 0 "[ . 1 . ]" 1
111 1 38 SER H 1 39 ASP QB 4.550 . 4.550 4.290 4.159 4.517 . 0 0 "[ . 1 . ]" 1
112 1 3 LEU QD 1 4 ILE H 4.040 . 4.040 3.638 2.147 4.236 0.196 12 0 "[ . 1 . ]" 1
113 1 4 ILE H 1 4 ILE MD 4.220 . 4.220 3.210 2.255 3.429 . 0 0 "[ . 1 . ]" 1
114 1 47 LEU H 1 48 GLU H 6.000 . 6.000 2.727 2.571 2.971 . 0 0 "[ . 1 . ]" 1
115 1 2 THR H 1 2 THR MG 3.810 . 3.810 2.800 1.960 3.872 0.062 18 0 "[ . 1 . ]" 1
116 1 2 THR H 1 3 LEU H 5.640 . 5.640 4.537 4.330 4.655 . 0 0 "[ . 1 . ]" 1
117 1 2 THR HA 1 3 LEU H 3.420 . 3.420 2.229 2.159 2.446 . 0 0 "[ . 1 . ]" 1
118 1 3 LEU H 1 3 LEU QB 3.500 . 3.500 2.404 2.202 2.554 . 0 0 "[ . 1 . ]" 1
119 1 3 LEU H 1 4 ILE HA 6.000 . 6.000 5.299 5.194 5.405 . 0 0 "[ . 1 . ]" 1
120 1 3 LEU H 1 5 GLU H 5.040 . 5.040 4.565 4.391 4.801 . 0 0 "[ . 1 . ]" 1
121 1 2 THR HA 1 4 ILE H 3.650 . 3.650 3.856 3.796 3.944 0.294 10 0 "[ . 1 . ]" 1
122 1 3 LEU H 1 4 ILE H 3.960 . 3.960 2.674 2.587 2.790 . 0 0 "[ . 1 . ]" 1
123 1 3 LEU QB 1 4 ILE H 3.710 . 3.710 3.159 2.805 3.753 0.043 18 0 "[ . 1 . ]" 1
124 1 4 ILE H 1 4 ILE HB 3.360 . 3.360 2.534 2.275 2.618 . 0 0 "[ . 1 . ]" 1
125 1 4 ILE H 1 4 ILE HG12 4.130 . 4.130 2.360 2.164 3.924 . 0 0 "[ . 1 . ]" 1
126 1 4 ILE H 1 4 ILE HG13 4.130 . 4.130 3.747 3.652 4.006 . 0 0 "[ . 1 . ]" 1
127 1 4 ILE H 1 5 GLU H 4.130 . 4.130 2.656 2.356 2.821 . 0 0 "[ . 1 . ]" 1
128 1 4 ILE H 1 6 LEU H 4.500 . 4.500 4.031 3.810 4.276 . 0 0 "[ . 1 . ]" 1
129 1 5 GLU H 1 6 LEU HG 5.820 . 5.820 4.482 4.207 5.406 . 0 0 "[ . 1 . ]" 1
130 1 5 GLU H 1 8 ILE HB 6.000 . 6.000 5.278 4.980 5.424 . 0 0 "[ . 1 . ]" 1
131 1 2 THR HA 1 5 GLU H 4.950 . 4.950 4.749 4.495 4.994 0.044 17 0 "[ . 1 . ]" 1
132 1 3 LEU HA 1 5 GLU H 5.050 . 5.050 4.565 4.243 4.940 . 0 0 "[ . 1 . ]" 1
133 1 5 GLU H 1 5 GLU HB2 4.180 . 4.180 2.516 2.406 2.657 . 0 0 "[ . 1 . ]" 1
134 1 5 GLU H 1 5 GLU HB3 4.180 . 4.180 3.568 2.424 3.657 . 0 0 "[ . 1 . ]" 1
135 1 5 GLU H 1 5 GLU HG2 4.510 . 4.510 2.680 2.095 4.571 0.061 12 0 "[ . 1 . ]" 1
136 1 5 GLU H 1 5 GLU HG3 4.510 . 4.510 3.562 2.230 4.430 . 0 0 "[ . 1 . ]" 1
137 1 5 GLU H 1 6 LEU H 3.850 . 3.850 2.766 2.631 2.875 . 0 0 "[ . 1 . ]" 1
138 1 5 GLU HG3 1 6 LEU H 5.480 . 5.480 4.877 3.499 5.303 . 0 0 "[ . 1 . ]" 1
139 1 2 THR HA 1 6 LEU H 6.000 . 6.000 5.579 5.264 5.984 . 0 0 "[ . 1 . ]" 1
140 1 3 LEU H 1 6 LEU H 5.500 . 5.500 5.045 4.770 5.258 . 0 0 "[ . 1 . ]" 1
141 1 6 LEU H 1 6 LEU HG 3.560 . 3.560 2.331 2.081 3.248 . 0 0 "[ . 1 . ]" 1
142 1 6 LEU H 1 6 LEU QD 3.960 . 3.960 3.070 2.875 3.355 . 0 0 "[ . 1 . ]" 1
143 1 6 LEU H 1 9 VAL H 5.140 . 5.140 4.825 4.723 4.944 . 0 0 "[ . 1 . ]" 1
144 1 3 LEU HA 1 7 LEU H 4.560 . 4.560 4.131 3.810 4.578 0.018 13 0 "[ . 1 . ]" 1
145 1 4 ILE H 1 7 LEU H 6.000 . 6.000 4.646 4.478 4.894 . 0 0 "[ . 1 . ]" 1
146 1 4 ILE HA 1 7 LEU H 3.970 . 3.970 3.491 3.219 3.931 . 0 0 "[ . 1 . ]" 1
147 1 6 LEU H 1 7 LEU H 4.120 . 4.120 2.692 2.594 2.817 . 0 0 "[ . 1 . ]" 1
148 1 7 LEU H 1 7 LEU QD 3.430 . 3.430 3.603 3.148 3.774 0.344 11 0 "[ . 1 . ]" 1
149 1 7 LEU H 1 8 ILE H 3.600 . 3.600 2.772 2.687 2.875 . 0 0 "[ . 1 . ]" 1
150 1 5 GLU HA 1 8 ILE H 3.750 . 3.750 3.502 3.264 3.770 0.020 1 0 "[ . 1 . ]" 1
151 1 6 LEU H 1 8 ILE H 4.700 . 4.700 4.219 4.049 4.357 . 0 0 "[ . 1 . ]" 1
152 1 8 ILE H 1 8 ILE HB 3.910 . 3.910 2.401 2.333 2.496 . 0 0 "[ . 1 . ]" 1
153 1 8 ILE H 1 8 ILE HG12 4.180 . 4.180 3.544 3.477 3.670 . 0 0 "[ . 1 . ]" 1
154 1 8 ILE H 1 8 ILE HG13 4.180 . 4.180 2.198 2.116 2.335 . 0 0 "[ . 1 . ]" 1
155 1 8 ILE H 1 8 ILE MG 3.310 . 3.310 3.741 3.717 3.778 0.468 15 0 "[ . 1 . ]" 1
156 1 8 ILE HB 1 9 VAL H 3.940 . 3.940 2.586 2.437 2.699 . 0 0 "[ . 1 . ]" 1
157 1 5 GLU HA 1 9 VAL H 4.200 . 4.200 4.117 3.827 4.270 0.070 5 0 "[ . 1 . ]" 1
158 1 6 LEU HA 1 9 VAL H 4.150 . 4.150 3.530 3.155 3.680 . 0 0 "[ . 1 . ]" 1
159 1 9 VAL H 1 9 VAL HB 3.530 . 3.530 2.441 2.367 2.548 . 0 0 "[ . 1 . ]" 1
160 1 9 VAL H 1 9 VAL MG2 3.380 . 3.380 2.714 2.046 3.783 0.403 14 0 "[ . 1 . ]" 1
161 1 8 ILE HA 1 10 VAL H 4.640 . 4.640 4.683 4.647 4.728 0.088 2 0 "[ . 1 . ]" 1
162 1 6 LEU HA 1 10 VAL H 3.840 . 3.840 3.936 3.865 4.021 0.181 2 0 "[ . 1 . ]" 1
163 1 9 VAL H 1 10 VAL H 3.830 . 3.830 2.813 2.711 2.915 . 0 0 "[ . 1 . ]" 1
164 1 9 VAL HB 1 10 VAL H 3.710 . 3.710 3.070 2.582 3.942 0.232 18 0 "[ . 1 . ]" 1
165 1 10 VAL H 1 10 VAL HB 3.700 . 3.700 2.383 2.286 2.439 . 0 0 "[ . 1 . ]" 1
166 1 10 VAL H 1 10 VAL MG2 3.340 . 3.340 2.828 2.142 3.763 0.423 13 0 "[ . 1 . ]" 1
167 1 10 VAL H 1 11 ALA H 3.680 . 3.680 2.681 2.622 2.742 . 0 0 "[ . 1 . ]" 1
168 1 10 VAL H 1 11 ALA MB 4.620 . 4.620 4.388 4.342 4.448 . 0 0 "[ . 1 . ]" 1
169 1 8 ILE HA 1 11 ALA H 3.330 . 3.330 3.450 3.346 3.536 0.206 6 0 "[ . 1 . ]" 1
170 1 9 VAL H 1 11 ALA H 4.310 . 4.310 4.038 3.956 4.127 . 0 0 "[ . 1 . ]" 1
171 1 10 VAL HB 1 11 ALA H 3.990 . 3.990 3.315 2.785 4.047 0.057 8 0 "[ . 1 . ]" 1
172 1 9 VAL H 1 12 ILE H 5.620 . 5.620 4.902 4.820 4.998 . 0 0 "[ . 1 . ]" 1
173 1 9 VAL HA 1 12 ILE H 4.050 . 4.050 3.743 3.586 3.871 . 0 0 "[ . 1 . ]" 1
174 1 11 ALA MB 1 12 ILE H 3.690 . 3.690 2.386 2.287 2.523 . 0 0 "[ . 1 . ]" 1
175 1 12 ILE H 1 12 ILE HB 3.610 . 3.610 3.653 3.640 3.681 0.071 14 0 "[ . 1 . ]" 1
176 1 12 ILE H 1 12 ILE HG12 3.540 . 3.540 2.201 2.054 3.420 . 0 0 "[ . 1 . ]" 1
177 1 12 ILE H 1 12 ILE HG13 3.540 . 3.540 3.246 2.134 3.375 . 0 0 "[ . 1 . ]" 1
178 1 12 ILE H 1 12 ILE MD 3.560 . 3.560 3.654 3.618 3.692 0.132 4 0 "[ . 1 . ]" 1
179 1 12 ILE H 1 14 GLY H 5.830 . 5.830 3.953 3.842 4.062 . 0 0 "[ . 1 . ]" 1
180 1 11 ALA HA 1 13 ILE H 4.900 . 4.900 4.889 4.710 4.986 0.086 5 0 "[ . 1 . ]" 1
181 1 13 ILE H 1 13 ILE HB 3.650 . 3.650 2.367 2.227 2.458 . 0 0 "[ . 1 . ]" 1
182 1 13 ILE H 1 13 ILE HG12 4.020 . 4.020 3.648 3.469 4.129 0.109 5 0 "[ . 1 . ]" 1
183 1 13 ILE H 1 13 ILE HG13 4.020 . 4.020 2.590 2.214 4.008 . 0 0 "[ . 1 . ]" 1
184 1 13 ILE H 1 13 ILE MD 3.840 . 3.840 3.442 2.327 3.721 . 0 0 "[ . 1 . ]" 1
185 1 13 ILE H 1 13 ILE MG 3.430 . 3.430 3.748 3.659 3.784 0.354 3 0 "[ . 1 . ]" 1
186 1 10 VAL HA 1 14 GLY H 5.260 . 5.260 3.947 3.625 4.237 . 0 0 "[ . 1 . ]" 1
187 1 13 ILE H 1 14 GLY H 3.540 . 3.540 2.600 2.450 2.695 . 0 0 "[ . 1 . ]" 1
188 1 13 ILE HB 1 14 GLY H 4.250 . 4.250 2.897 2.816 3.082 . 0 0 "[ . 1 . ]" 1
189 1 13 ILE HG12 1 14 GLY H 6.000 . 6.000 5.194 5.123 5.435 . 0 0 "[ . 1 . ]" 1
190 1 13 ILE MG 1 14 GLY H 3.680 . 3.680 3.438 3.085 3.605 . 0 0 "[ . 1 . ]" 1
191 1 14 GLY H 1 15 ILE H 4.080 . 4.080 2.770 2.730 2.832 . 0 0 "[ . 1 . ]" 1
192 1 15 ILE H 1 15 ILE HB 3.260 . 3.260 2.455 2.297 2.743 . 0 0 "[ . 1 . ]" 1
193 1 15 ILE H 1 16 LEU H 3.750 . 3.750 2.578 2.487 2.648 . 0 0 "[ . 1 . ]" 1
194 1 13 ILE HA 1 16 LEU H 3.940 . 3.940 3.234 3.143 3.346 . 0 0 "[ . 1 . ]" 1
195 1 16 LEU H 1 16 LEU QB 3.750 . 3.750 2.628 2.584 2.689 . 0 0 "[ . 1 . ]" 1
196 1 16 LEU H 1 17 ALA H 3.700 . 3.700 2.747 2.663 2.819 . 0 0 "[ . 1 . ]" 1
197 1 13 ILE HA 1 17 ALA H 4.430 . 4.430 4.031 3.851 4.315 . 0 0 "[ . 1 . ]" 1
198 1 15 ILE HA 1 17 ALA H 4.390 . 4.390 4.417 4.291 4.477 0.087 12 0 "[ . 1 . ]" 1
199 1 17 ALA H 1 19 ILE H 5.930 . 5.930 4.083 4.023 4.133 . 0 0 "[ . 1 . ]" 1
200 1 14 GLY QA 1 18 ALA H 5.420 . 5.420 3.937 3.819 4.090 . 0 0 "[ . 1 . ]" 1
201 1 15 ILE H 1 18 ALA H 6.000 . 6.000 4.742 4.595 4.860 . 0 0 "[ . 1 . ]" 1
202 1 15 ILE HA 1 18 ALA H 4.920 . 4.920 3.547 3.218 3.751 . 0 0 "[ . 1 . ]" 1
203 1 17 ALA H 1 18 ALA H 3.940 . 3.940 2.585 2.507 2.652 . 0 0 "[ . 1 . ]" 1
204 1 15 ILE HA 1 19 ILE H 4.900 . 4.900 4.158 3.976 4.307 . 0 0 "[ . 1 . ]" 1
205 1 18 ALA H 1 19 ILE H 4.060 . 4.060 2.841 2.779 2.901 . 0 0 "[ . 1 . ]" 1
206 1 18 ALA MB 1 19 ILE H 3.490 . 3.490 2.886 2.782 3.041 . 0 0 "[ . 1 . ]" 1
207 1 19 ILE H 1 19 ILE HG12 4.280 . 4.280 3.472 3.427 3.523 . 0 0 "[ . 1 . ]" 1
208 1 19 ILE H 1 19 ILE HG13 3.940 . 3.940 2.045 1.996 2.105 . 0 0 "[ . 1 . ]" 1
209 1 19 ILE H 1 20 ALA H 3.610 . 3.610 2.348 2.281 2.405 . 0 0 "[ . 1 . ]" 1
210 1 19 ILE HG12 1 20 ALA H 4.190 . 4.190 4.141 4.046 4.218 0.028 8 0 "[ . 1 . ]" 1
211 1 20 ALA H 1 21 ILE HG13 6.000 . 6.000 5.592 4.563 6.222 0.222 15 0 "[ . 1 . ]" 1
212 1 17 ALA HA 1 20 ALA H 4.090 . 4.090 3.403 3.235 3.704 . 0 0 "[ . 1 . ]" 1
213 1 16 LEU QB 1 20 ALA H 5.740 . 5.740 4.958 4.753 5.164 . 0 0 "[ . 1 . ]" 1
214 1 17 ALA MB 1 20 ALA H 5.980 . 5.980 4.559 4.455 4.782 . 0 0 "[ . 1 . ]" 1
215 1 18 ALA H 1 20 ALA H 6.000 . 6.000 4.184 4.100 4.334 . 0 0 "[ . 1 . ]" 1
216 1 19 ILE HB 1 20 ALA H 3.620 . 3.620 3.894 3.849 3.952 0.332 8 0 "[ . 1 . ]" 1
217 1 19 ILE MD 1 20 ALA H 3.790 . 3.790 2.516 2.451 2.591 . 0 0 "[ . 1 . ]" 1
218 1 19 ILE MG 1 20 ALA H 4.180 . 4.180 4.150 4.100 4.188 0.008 18 0 "[ . 1 . ]" 1
219 1 19 ILE H 1 21 ILE H 4.800 . 4.800 4.382 4.188 4.585 . 0 0 "[ . 1 . ]" 1
220 1 21 ILE H 1 21 ILE HB 3.580 . 3.580 2.416 2.344 2.473 . 0 0 "[ . 1 . ]" 1
221 1 21 ILE H 1 21 ILE HG12 4.270 . 4.270 3.940 3.739 4.059 . 0 0 "[ . 1 . ]" 1
222 1 21 ILE H 1 21 ILE HG13 4.180 . 4.180 3.127 2.272 3.743 . 0 0 "[ . 1 . ]" 1
223 1 23 GLN H 1 23 GLN QG 4.370 . 4.370 3.985 3.255 4.044 . 0 0 "[ . 1 . ]" 1
224 1 20 ALA MB 1 24 PHE H 5.260 . 5.260 4.647 4.566 4.713 . 0 0 "[ . 1 . ]" 1
225 1 22 PRO HG2 1 24 PHE H 4.680 . 4.680 4.752 4.705 4.784 0.104 4 0 "[ . 1 . ]" 1
226 1 22 PRO HA 1 24 PHE H 5.100 . 5.100 4.291 4.160 4.478 . 0 0 "[ . 1 . ]" 1
227 1 22 PRO HB2 1 24 PHE H 4.830 . 4.830 5.185 5.097 5.230 0.400 13 0 "[ . 1 . ]" 1
228 1 23 GLN QB 1 24 PHE H 4.120 . 4.120 2.747 2.565 3.477 . 0 0 "[ . 1 . ]" 1
229 1 23 GLN QG 1 24 PHE H 3.730 . 3.730 3.695 2.817 3.833 0.103 11 0 "[ . 1 . ]" 1
230 1 24 PHE H 1 24 PHE HB2 3.760 . 3.760 2.672 2.422 2.890 . 0 0 "[ . 1 . ]" 1
231 1 24 PHE H 1 24 PHE HB3 3.760 . 3.760 2.871 2.483 3.708 . 0 0 "[ . 1 . ]" 1
232 1 24 PHE H 1 26 ALA H 6.000 . 6.000 4.000 3.601 4.181 . 0 0 "[ . 1 . ]" 1
233 1 21 ILE MG 1 25 SER H 6.000 . 6.000 4.259 4.143 4.341 . 0 0 "[ . 1 . ]" 1
234 1 22 PRO HG2 1 23 GLN H 5.010 . 5.010 2.262 2.202 2.313 . 0 0 "[ . 1 . ]" 1
235 1 22 PRO HD2 1 25 SER H 6.000 . 6.000 5.620 5.534 5.704 . 0 0 "[ . 1 . ]" 1
236 1 22 PRO HD3 1 25 SER H 6.000 . 6.000 5.899 5.795 5.999 . 0 0 "[ . 1 . ]" 1
237 1 24 PHE HB2 1 25 SER H 4.040 . 4.040 3.650 2.884 3.997 . 0 0 "[ . 1 . ]" 1
238 1 24 PHE HB3 1 25 SER H 4.040 . 4.040 2.965 2.517 3.816 . 0 0 "[ . 1 . ]" 1
239 1 22 PRO HA 1 26 ALA H 4.360 . 4.360 3.705 3.472 4.081 . 0 0 "[ . 1 . ]" 1
240 1 24 PHE HA 1 26 ALA H 4.820 . 4.820 4.622 4.180 4.821 0.001 18 0 "[ . 1 . ]" 1
241 1 25 SER H 1 26 ALA H 6.000 . 6.000 2.848 2.597 2.965 . 0 0 "[ . 1 . ]" 1
242 1 25 SER HA 1 26 ALA H 3.500 . 3.500 3.566 3.509 3.582 0.082 18 0 "[ . 1 . ]" 1
243 1 25 SER QB 1 26 ALA H 4.280 . 4.280 2.348 2.185 2.865 . 0 0 "[ . 1 . ]" 1
244 1 26 ALA H 1 27 TYR HB3 5.890 . 5.890 4.960 4.732 5.166 . 0 0 "[ . 1 . ]" 1
245 1 24 PHE HA 1 27 TYR H 4.550 . 4.550 3.126 2.916 3.300 . 0 0 "[ . 1 . ]" 1
246 1 24 PHE HB2 1 27 TYR H 5.430 . 5.430 5.401 5.291 5.499 0.069 15 0 "[ . 1 . ]" 1
247 1 24 PHE HB3 1 27 TYR H 5.430 . 5.430 5.213 5.077 5.311 . 0 0 "[ . 1 . ]" 1
248 1 25 SER H 1 27 TYR H 4.970 . 4.970 3.878 3.781 3.963 . 0 0 "[ . 1 . ]" 1
249 1 25 SER HA 1 27 TYR H 4.350 . 4.350 4.238 4.120 4.365 0.015 10 0 "[ . 1 . ]" 1
250 1 25 SER QB 1 27 TYR H 5.440 . 5.440 4.510 4.405 4.761 . 0 0 "[ . 1 . ]" 1
251 1 26 ALA H 1 27 TYR H 3.760 . 3.760 2.705 2.473 2.847 . 0 0 "[ . 1 . ]" 1
252 1 27 TYR H 1 27 TYR HB3 3.580 . 3.580 2.500 2.372 2.592 . 0 0 "[ . 1 . ]" 1
253 1 27 TYR H 1 27 TYR HB2 3.670 . 3.670 2.570 2.481 2.694 . 0 0 "[ . 1 . ]" 1
254 1 27 TYR H 1 28 ARG QB 4.650 . 4.650 4.718 4.615 4.846 0.196 3 0 "[ . 1 . ]" 1
255 1 27 TYR H 1 28 ARG QG 5.040 . 5.040 4.217 3.713 4.657 . 0 0 "[ . 1 . ]" 1
256 1 27 TYR H 1 29 VAL QG 6.000 . 6.000 4.667 4.384 4.927 . 0 0 "[ . 1 . ]" 1
257 1 28 ARG H 1 29 VAL HA 5.400 . 5.400 5.200 5.118 5.260 . 0 0 "[ . 1 . ]" 1
258 1 25 SER HA 1 28 ARG H 5.150 . 5.150 3.804 3.681 4.007 . 0 0 "[ . 1 . ]" 1
259 1 27 TYR HB3 1 28 ARG H 3.900 . 3.900 2.380 2.296 2.461 . 0 0 "[ . 1 . ]" 1
260 1 27 TYR HB2 1 28 ARG H 4.370 . 4.370 3.752 3.684 3.818 . 0 0 "[ . 1 . ]" 1
261 1 28 ARG H 1 28 ARG QB 3.300 . 3.300 2.459 2.398 2.544 . 0 0 "[ . 1 . ]" 1
262 1 28 ARG H 1 28 ARG QD 4.400 . 4.400 3.796 3.502 4.042 . 0 0 "[ . 1 . ]" 1
263 1 28 ARG H 1 28 ARG QG 4.130 . 4.130 2.269 2.110 2.479 . 0 0 "[ . 1 . ]" 1
264 1 28 ARG H 1 29 VAL HB 5.270 . 5.270 4.769 4.639 4.962 . 0 0 "[ . 1 . ]" 1
265 1 28 ARG H 1 29 VAL QG 5.420 . 5.420 4.096 3.965 4.252 . 0 0 "[ . 1 . ]" 1
266 1 28 ARG H 1 30 LYS H 5.320 . 5.320 4.305 4.000 4.561 . 0 0 "[ . 1 . ]" 1
267 1 28 ARG H 1 31 ALA MB 5.500 . 5.500 4.435 4.279 4.586 . 0 0 "[ . 1 . ]" 1
268 1 25 SER HA 1 29 VAL H 4.480 . 4.480 4.439 4.138 4.569 0.089 5 0 "[ . 1 . ]" 1
269 1 26 ALA MB 1 29 VAL H 5.170 . 5.170 4.609 4.336 4.806 . 0 0 "[ . 1 . ]" 1
270 1 27 TYR HA 1 29 VAL H 5.280 . 5.280 4.265 4.194 4.332 . 0 0 "[ . 1 . ]" 1
271 1 27 TYR HB3 1 29 VAL H 4.450 . 4.450 4.661 4.599 4.705 0.255 8 0 "[ . 1 . ]" 1
272 1 27 TYR HB2 1 29 VAL H 5.470 . 5.470 5.549 5.507 5.620 0.150 3 0 "[ . 1 . ]" 1
273 1 28 ARG HA 1 29 VAL H 3.420 . 3.420 3.474 3.438 3.495 0.075 17 0 "[ . 1 . ]" 1
274 1 28 ARG QB 1 29 VAL H 3.820 . 3.820 3.203 2.789 3.705 . 0 0 "[ . 1 . ]" 1
275 1 28 ARG QD 1 29 VAL H 6.000 . 6.000 4.915 4.391 5.394 . 0 0 "[ . 1 . ]" 1
276 1 28 ARG QG 1 29 VAL H 5.030 . 5.030 3.558 2.371 4.360 . 0 0 "[ . 1 . ]" 1
277 1 29 VAL H 1 29 VAL HB 3.430 . 3.430 2.489 2.385 2.586 . 0 0 "[ . 1 . ]" 1
278 1 29 VAL H 1 29 VAL QG 3.270 . 3.270 2.428 2.262 2.602 . 0 0 "[ . 1 . ]" 1
279 1 27 TYR HA 1 30 LYS H 4.760 . 4.760 3.724 3.407 3.895 . 0 0 "[ . 1 . ]" 1
280 1 29 VAL H 1 30 LYS H 3.570 . 3.570 2.581 2.330 2.760 . 0 0 "[ . 1 . ]" 1
281 1 29 VAL HA 1 30 LYS H 3.330 . 3.330 3.548 3.496 3.579 0.249 9 0 "[ . 1 . ]" 1
282 1 29 VAL HB 1 30 LYS H 3.880 . 3.880 2.594 2.394 2.968 . 0 0 "[ . 1 . ]" 1
283 1 29 VAL QG 1 30 LYS H 3.560 . 3.560 3.078 2.836 3.348 . 0 0 "[ . 1 . ]" 1
284 1 30 LYS H 1 30 LYS QB 3.270 . 3.270 2.362 2.013 2.523 . 0 0 "[ . 1 . ]" 1
285 1 30 LYS H 1 30 LYS QD 3.830 . 3.830 3.926 3.686 4.173 0.343 5 0 "[ . 1 . ]" 1
286 1 30 LYS H 1 31 ALA H 3.660 . 3.660 2.623 2.476 2.781 . 0 0 "[ . 1 . ]" 1
287 1 29 VAL HB 1 31 ALA H 6.000 . 6.000 4.858 4.694 5.070 . 0 0 "[ . 1 . ]" 1
288 1 27 TYR HA 1 31 ALA H 5.010 . 5.010 4.280 4.129 4.455 . 0 0 "[ . 1 . ]" 1
289 1 29 VAL H 1 31 ALA H 4.340 . 4.340 3.676 3.461 3.797 . 0 0 "[ . 1 . ]" 1
290 1 29 VAL HA 1 31 ALA H 4.100 . 4.100 4.122 3.940 4.211 0.111 10 0 "[ . 1 . ]" 1
291 1 29 VAL QG 1 31 ALA H 4.350 . 4.350 4.452 4.379 4.573 0.223 8 0 "[ . 1 . ]" 1
292 1 30 LYS QB 1 31 ALA H 3.780 . 3.780 3.550 2.923 3.788 0.008 15 0 "[ . 1 . ]" 1
293 1 30 LYS QD 1 31 ALA H 5.190 . 5.190 4.553 4.118 5.211 0.021 16 0 "[ . 1 . ]" 1
294 1 31 ALA H 1 32 TYR H 6.000 . 6.000 2.443 2.257 2.656 . 0 0 "[ . 1 . ]" 1
295 1 31 ALA H 1 32 TYR HB2 5.100 . 5.100 4.766 4.444 5.100 0.000 5 0 "[ . 1 . ]" 1
296 1 31 ALA H 1 32 TYR HB3 5.100 . 5.100 4.717 4.414 5.067 . 0 0 "[ . 1 . ]" 1
297 1 31 ALA H 1 33 ASN H 6.000 . 6.000 3.942 3.469 4.472 . 0 0 "[ . 1 . ]" 1
298 1 28 ARG HA 1 32 TYR H 6.000 . 6.000 3.941 3.647 4.153 . 0 0 "[ . 1 . ]" 1
299 1 29 VAL HA 1 32 TYR H 4.100 . 4.100 3.469 2.904 3.785 . 0 0 "[ . 1 . ]" 1
300 1 30 LYS H 1 32 TYR H 6.000 . 6.000 4.191 3.964 4.472 . 0 0 "[ . 1 . ]" 1
301 1 30 LYS QB 1 32 TYR H 5.130 . 5.130 5.201 4.975 5.310 0.180 6 0 "[ . 1 . ]" 1
302 1 31 ALA MB 1 32 TYR H 3.490 . 3.490 2.598 2.322 2.774 . 0 0 "[ . 1 . ]" 1
303 1 32 TYR H 1 32 TYR HB2 3.520 . 3.520 2.525 2.336 2.673 . 0 0 "[ . 1 . ]" 1
304 1 32 TYR H 1 32 TYR HB3 3.520 . 3.520 2.596 2.447 2.862 . 0 0 "[ . 1 . ]" 1
305 1 29 VAL HA 1 33 ASN H 4.940 . 4.940 4.235 3.585 4.742 . 0 0 "[ . 1 . ]" 1
306 1 29 VAL QG 1 33 ASN H 6.000 . 6.000 4.176 3.649 4.685 . 0 0 "[ . 1 . ]" 1
307 1 30 LYS HA 1 33 ASN H 4.610 . 4.610 3.463 3.020 4.078 . 0 0 "[ . 1 . ]" 1
308 1 32 TYR H 1 33 ASN H 3.470 . 3.470 2.581 2.302 2.881 . 0 0 "[ . 1 . ]" 1
309 1 32 TYR HA 1 33 ASN H 3.250 . 3.250 3.456 3.327 3.535 0.285 5 0 "[ . 1 . ]" 1
310 1 32 TYR HB2 1 33 ASN H 3.870 . 3.870 3.864 3.560 4.129 0.259 13 0 "[ . 1 . ]" 1
311 1 32 TYR HB3 1 33 ASN H 3.870 . 3.870 2.736 2.113 3.325 . 0 0 "[ . 1 . ]" 1
312 1 30 LYS HA 1 34 SER H 6.000 . 6.000 3.543 2.708 4.109 . 0 0 "[ . 1 . ]" 1
313 1 31 ALA HA 1 34 SER H 5.150 . 5.150 3.628 2.944 4.615 . 0 0 "[ . 1 . ]" 1
314 1 32 TYR H 1 34 SER H 4.300 . 4.300 4.149 3.975 4.303 0.003 16 0 "[ . 1 . ]" 1
315 1 32 TYR HA 1 34 SER H 4.780 . 4.780 4.777 4.516 4.963 0.183 16 0 "[ . 1 . ]" 1
316 1 32 TYR HB2 1 34 SER H 6.000 . 6.000 6.032 5.814 6.235 0.235 15 0 "[ . 1 . ]" 1
317 1 32 TYR HB3 1 34 SER H 6.000 . 6.000 5.234 4.925 5.655 . 0 0 "[ . 1 . ]" 1
318 1 33 ASN HA 1 34 SER H 3.380 . 3.380 3.564 3.539 3.584 0.204 16 0 "[ . 1 . ]" 1
319 1 33 ASN HB2 1 34 SER H 4.020 . 4.020 2.825 2.399 3.879 . 0 0 "[ . 1 . ]" 1
320 1 33 ASN HB3 1 34 SER H 4.020 . 4.020 3.357 2.236 3.840 . 0 0 "[ . 1 . ]" 1
321 1 34 SER H 1 34 SER HB3 3.730 . 3.730 2.692 2.508 3.704 . 0 0 "[ . 1 . ]" 1
322 1 33 ASN HA 1 35 ALA H 5.320 . 5.320 5.130 4.680 5.407 0.087 11 0 "[ . 1 . ]" 1
323 1 31 ALA HA 1 35 ALA H 6.000 . 6.000 3.325 2.749 3.767 . 0 0 "[ . 1 . ]" 1
324 1 31 ALA MB 1 35 ALA H 5.500 . 5.500 4.365 4.034 4.887 . 0 0 "[ . 1 . ]" 1
325 1 32 TYR HA 1 35 ALA H 6.000 . 6.000 4.509 4.042 5.040 . 0 0 "[ . 1 . ]" 1
326 1 34 SER HB2 1 35 ALA H 3.850 . 3.850 3.653 2.408 3.948 0.098 16 0 "[ . 1 . ]" 1
327 1 35 ALA H 1 37 SER H 6.000 . 6.000 4.430 4.141 4.754 . 0 0 "[ . 1 . ]" 1
328 1 31 ALA MB 1 36 ALA H 5.620 . 5.620 5.686 4.935 6.086 0.466 1 0 "[ . 1 . ]" 1
329 1 33 ASN HA 1 36 ALA H 5.710 . 5.710 4.076 3.345 4.746 . 0 0 "[ . 1 . ]" 1
330 1 35 ALA H 1 36 ALA H 6.000 . 6.000 2.696 2.581 2.778 . 0 0 "[ . 1 . ]" 1
331 1 36 ALA H 1 36 ALA MB 2.900 . 2.900 2.293 2.249 2.332 . 0 0 "[ . 1 . ]" 1
332 1 36 ALA H 1 37 SER H 6.000 . 6.000 2.758 2.493 2.905 . 0 0 "[ . 1 . ]" 1
333 1 33 ASN HA 1 37 SER H 5.540 . 5.540 3.932 3.456 4.359 . 0 0 "[ . 1 . ]" 1
334 1 36 ALA MB 1 37 SER H 3.380 . 3.380 2.438 2.133 2.627 . 0 0 "[ . 1 . ]" 1
335 1 37 SER H 1 37 SER HB2 4.130 . 4.130 2.558 2.486 2.659 . 0 0 "[ . 1 . ]" 1
336 1 35 ALA HA 1 38 SER H 4.820 . 4.820 3.629 3.318 3.946 . 0 0 "[ . 1 . ]" 1
337 1 36 ALA MB 1 38 SER H 4.600 . 4.600 4.522 4.307 4.664 0.064 14 0 "[ . 1 . ]" 1
338 1 37 SER H 1 38 SER H 3.330 . 3.330 2.751 2.612 2.909 . 0 0 "[ . 1 . ]" 1
339 1 38 SER H 1 38 SER HB2 3.620 . 3.620 2.794 2.500 3.645 0.025 8 0 "[ . 1 . ]" 1
340 1 38 SER H 1 38 SER HB3 3.620 . 3.620 2.924 2.492 3.655 0.035 9 0 "[ . 1 . ]" 1
341 1 39 ASP H 1 41 ARG QB 5.520 . 5.520 4.832 4.398 5.154 . 0 0 "[ . 1 . ]" 1
342 1 40 LEU H 1 41 ARG QB 5.750 . 5.750 4.379 4.176 4.701 . 0 0 "[ . 1 . ]" 1
343 1 35 ALA MB 1 39 ASP H 4.390 . 4.390 4.527 4.429 4.601 0.211 9 0 "[ . 1 . ]" 1
344 1 36 ALA HA 1 39 ASP H 4.670 . 4.670 3.607 3.211 4.033 . 0 0 "[ . 1 . ]" 1
345 1 38 SER HA 1 39 ASP H 3.420 . 3.420 3.515 3.486 3.544 0.124 12 0 "[ . 1 . ]" 1
346 1 38 SER HB2 1 39 ASP H 4.110 . 4.110 3.637 2.789 4.151 0.041 14 0 "[ . 1 . ]" 1
347 1 38 SER HB3 1 39 ASP H 4.110 . 4.110 3.393 2.642 4.128 0.018 8 0 "[ . 1 . ]" 1
348 1 39 ASP H 1 39 ASP QB 3.110 . 3.110 2.264 2.220 2.438 . 0 0 "[ . 1 . ]" 1
349 1 40 LEU H 1 42 ASN QB 6.000 . 6.000 4.926 4.602 5.479 . 0 0 "[ . 1 . ]" 1
350 1 36 ALA HA 1 40 LEU H 5.260 . 5.260 4.196 3.773 4.469 . 0 0 "[ . 1 . ]" 1
351 1 36 ALA MB 1 40 LEU H 5.700 . 5.700 4.737 4.502 4.966 . 0 0 "[ . 1 . ]" 1
352 1 38 SER HA 1 40 LEU H 4.220 . 4.220 4.400 4.303 4.490 0.270 2 0 "[ . 1 . ]" 1
353 1 39 ASP QB 1 40 LEU H 3.350 . 3.350 2.440 2.355 2.571 . 0 0 "[ . 1 . ]" 1
354 1 40 LEU H 1 40 LEU HG 3.720 . 3.720 2.515 1.994 3.970 0.250 2 0 "[ . 1 . ]" 1
355 1 40 LEU H 1 40 LEU QB 3.230 . 3.230 2.476 2.175 2.795 . 0 0 "[ . 1 . ]" 1
356 1 40 LEU H 1 41 ARG H 3.700 . 3.700 2.530 2.428 2.658 . 0 0 "[ . 1 . ]" 1
357 1 38 SER HA 1 41 ARG H 4.860 . 4.860 3.335 3.031 3.642 . 0 0 "[ . 1 . ]" 1
358 1 40 LEU MD1 1 41 ARG H 5.440 . 5.440 4.259 2.342 4.922 . 0 0 "[ . 1 . ]" 1
359 1 39 ASP HA 1 41 ARG H 4.810 . 4.810 4.441 4.282 4.674 . 0 0 "[ . 1 . ]" 1
360 1 39 ASP QB 1 41 ARG H 4.390 . 4.390 4.554 4.480 4.635 0.245 10 0 "[ . 1 . ]" 1
361 1 40 LEU QB 1 41 ARG H 3.590 . 3.590 2.989 2.636 3.723 0.133 4 0 "[ . 1 . ]" 1
362 1 41 ARG H 1 41 ARG QB 3.150 . 3.150 2.310 2.194 2.543 . 0 0 "[ . 1 . ]" 1
363 1 41 ARG H 1 41 ARG QD 4.760 . 4.760 4.365 3.540 4.811 0.051 15 0 "[ . 1 . ]" 1
364 1 41 ARG H 1 41 ARG QG 3.800 . 3.800 3.525 2.368 4.036 0.236 17 0 "[ . 1 . ]" 1
365 1 41 ARG H 1 42 ASN H 3.340 . 3.340 2.547 2.435 2.696 . 0 0 "[ . 1 . ]" 1
366 1 41 ARG H 1 43 LEU H 4.590 . 4.590 4.019 3.858 4.209 . 0 0 "[ . 1 . ]" 1
367 1 41 ARG H 1 44 LYS HB3 5.210 . 5.210 5.132 4.939 5.285 0.075 7 0 "[ . 1 . ]" 1
368 1 40 LEU HA 1 42 ASN H 5.020 . 5.020 4.546 4.263 5.058 0.038 1 0 "[ . 1 . ]" 1
369 1 42 ASN H 1 42 ASN QB 3.180 . 3.180 2.254 2.215 2.296 . 0 0 "[ . 1 . ]" 1
370 1 43 LEU H 1 46 ALA MB 4.980 . 4.980 4.701 4.546 4.962 . 0 0 "[ . 1 . ]" 1
371 1 42 ASN H 1 43 LEU H 3.310 . 3.310 2.713 2.632 2.807 . 0 0 "[ . 1 . ]" 1
372 1 42 ASN QB 1 43 LEU H 3.660 . 3.660 2.706 2.541 2.837 . 0 0 "[ . 1 . ]" 1
373 1 43 LEU H 1 43 LEU HG 3.840 . 3.840 2.486 2.073 2.630 . 0 0 "[ . 1 . ]" 1
374 1 43 LEU H 1 43 LEU QB 3.280 . 3.280 2.440 2.387 2.707 . 0 0 "[ . 1 . ]" 1
375 1 43 LEU H 1 44 LYS HB3 4.610 . 4.610 4.699 4.618 4.754 0.144 4 0 "[ . 1 . ]" 1
376 1 43 LEU QD 1 44 LYS H 4.350 . 4.350 4.144 2.390 4.312 . 0 0 "[ . 1 . ]" 1
377 1 43 LEU QB 1 44 LYS H 3.550 . 3.550 2.818 2.570 3.599 0.049 14 0 "[ . 1 . ]" 1
378 1 41 ARG HA 1 44 LYS H 4.790 . 4.790 3.516 3.172 3.959 . 0 0 "[ . 1 . ]" 1
379 1 42 ASN HA 1 44 LYS H 6.000 . 6.000 4.366 4.115 4.717 . 0 0 "[ . 1 . ]" 1
380 1 43 LEU H 1 44 LYS H 3.430 . 3.430 2.493 2.408 2.581 . 0 0 "[ . 1 . ]" 1
381 1 44 LYS H 1 44 LYS HB3 3.480 . 3.480 2.465 2.363 2.574 . 0 0 "[ . 1 . ]" 1
382 1 44 LYS H 1 44 LYS HB2 3.280 . 3.280 2.630 2.458 2.766 . 0 0 "[ . 1 . ]" 1
383 1 44 LYS H 1 45 THR HB 4.510 . 4.510 4.694 4.615 4.767 0.257 17 0 "[ . 1 . ]" 1
384 1 42 ASN HA 1 45 THR H 4.500 . 4.500 3.751 3.362 4.151 . 0 0 "[ . 1 . ]" 1
385 1 43 LEU QD 1 46 ALA H 5.650 . 5.650 5.106 4.925 5.327 . 0 0 "[ . 1 . ]" 1
386 1 46 ALA H 1 47 LEU QD 6.000 . 6.000 4.844 3.813 5.712 . 0 0 "[ . 1 . ]" 1
387 1 44 LYS HA 1 46 ALA H 4.660 . 4.660 4.452 4.274 4.643 . 0 0 "[ . 1 . ]" 1
388 1 44 LYS HB3 1 46 ALA H 5.270 . 5.270 4.940 4.773 5.155 . 0 0 "[ . 1 . ]" 1
389 1 42 ASN QB 1 46 ALA H 6.000 . 6.000 5.459 5.186 5.643 . 0 0 "[ . 1 . ]" 1
390 1 42 ASN HA 1 46 ALA H 5.320 . 5.320 4.101 3.826 4.353 . 0 0 "[ . 1 . ]" 1
391 1 45 THR HB 1 46 ALA H 3.620 . 3.620 3.834 3.779 3.913 0.293 4 0 "[ . 1 . ]" 1
392 1 43 LEU HA 1 47 LEU H 4.410 . 4.410 4.218 3.578 4.515 0.105 7 0 "[ . 1 . ]" 1
393 1 47 LEU QB 1 48 GLU H 4.760 . 4.760 2.745 2.248 3.665 . 0 0 "[ . 1 . ]" 1
394 1 6 LEU QD 1 7 LEU H 4.700 . 4.700 3.713 2.364 4.180 . 0 0 "[ . 1 . ]" 1
395 1 47 LEU HG 1 48 GLU H 5.710 . 5.710 4.647 2.556 5.360 . 0 0 "[ . 1 . ]" 1
396 1 44 LYS HA 1 48 GLU H 5.140 . 5.140 4.162 3.505 4.499 . 0 0 "[ . 1 . ]" 1
397 1 44 LYS HB3 1 48 GLU H 5.680 . 5.680 5.745 5.661 5.807 0.127 6 0 "[ . 1 . ]" 1
398 1 45 THR MG 1 48 GLU H 5.440 . 5.440 5.112 4.821 5.494 0.054 16 0 "[ . 1 . ]" 1
399 1 48 GLU H 1 48 GLU HB2 3.780 . 3.780 2.848 2.415 3.688 . 0 0 "[ . 1 . ]" 1
400 1 48 GLU H 1 48 GLU HB3 3.780 . 3.780 3.202 2.356 3.686 . 0 0 "[ . 1 . ]" 1
401 1 48 GLU H 1 48 GLU HG2 4.340 . 4.340 2.770 2.084 4.494 0.154 2 0 "[ . 1 . ]" 1
402 1 48 GLU H 1 48 GLU HG3 4.340 . 4.340 3.536 2.326 4.397 0.057 2 0 "[ . 1 . ]" 1
403 1 48 GLU H 1 49 SER H 3.470 . 3.470 2.622 2.531 2.702 . 0 0 "[ . 1 . ]" 1
404 1 48 GLU H 1 49 SER HA 5.190 . 5.190 5.277 5.218 5.326 0.136 10 0 "[ . 1 . ]" 1
405 1 49 SER H 1 50 ALA H 3.330 . 3.330 2.611 2.417 2.857 . 0 0 "[ . 1 . ]" 1
406 1 50 ALA H 1 51 PHE HA 5.520 . 5.520 5.275 5.116 5.459 . 0 0 "[ . 1 . ]" 1
407 1 47 LEU HA 1 50 ALA H 4.060 . 4.060 3.558 3.292 4.005 . 0 0 "[ . 1 . ]" 1
408 1 48 GLU H 1 50 ALA H 4.570 . 4.570 4.039 3.788 4.556 . 0 0 "[ . 1 . ]" 1
409 1 50 ALA H 1 51 PHE HB2 6.000 . 6.000 4.883 4.628 5.465 . 0 0 "[ . 1 . ]" 1
410 1 50 ALA H 1 51 PHE HB3 6.000 . 6.000 5.533 4.532 6.149 0.149 15 0 "[ . 1 . ]" 1
411 1 50 ALA H 1 52 ALA H 6.000 . 6.000 3.845 3.542 4.161 . 0 0 "[ . 1 . ]" 1
412 1 49 SER H 1 52 ALA H 6.000 . 6.000 4.681 4.391 4.991 . 0 0 "[ . 1 . ]" 1
413 1 48 GLU HA 1 52 ALA H 4.100 . 4.100 3.961 3.357 4.289 0.189 15 0 "[ . 1 . ]" 1
414 1 50 ALA HA 1 52 ALA H 4.940 . 4.940 4.408 4.036 5.008 0.068 7 0 "[ . 1 . ]" 1
415 1 50 ALA MB 1 52 ALA H 4.240 . 4.240 4.360 4.257 4.525 0.285 10 0 "[ . 1 . ]" 1
416 1 51 PHE HB2 1 52 ALA H 4.420 . 4.420 3.598 2.617 4.239 . 0 0 "[ . 1 . ]" 1
417 1 51 PHE HB3 1 52 ALA H 4.420 . 4.420 3.469 2.778 4.119 . 0 0 "[ . 1 . ]" 1
418 1 38 SER HA 1 42 ASN H 3.640 . 3.640 3.689 3.326 3.833 0.193 14 0 "[ . 1 . ]" 1
419 1 52 ALA H 1 53 ASP H 3.570 . 3.570 2.622 2.367 3.226 . 0 0 "[ . 1 . ]" 1
420 1 52 ALA MB 1 53 ASP H 3.550 . 3.550 3.007 2.475 3.652 0.102 1 0 "[ . 1 . ]" 1
421 1 52 ALA HA 1 54 ASP H 4.930 . 4.930 4.403 3.735 5.085 0.155 7 0 "[ . 1 . ]" 1
422 1 54 ASP H 1 54 ASP QB 3.300 . 3.300 2.675 2.224 3.364 0.064 5 0 "[ . 1 . ]" 1
423 1 55 GLN H 1 56 THR H 3.880 . 3.880 2.546 2.088 2.874 . 0 0 "[ . 1 . ]" 1
424 1 56 THR H 1 56 THR HB 4.060 . 4.060 3.363 2.557 3.815 . 0 0 "[ . 1 . ]" 1
425 1 56 THR H 1 56 THR MG 4.750 . 4.750 3.127 2.182 4.104 . 0 0 "[ . 1 . ]" 1
426 1 56 THR H 1 57 TYR H 3.720 . 3.720 2.936 2.252 3.768 0.048 10 0 "[ . 1 . ]" 1
427 1 56 THR HB 1 57 TYR H 4.130 . 4.130 3.514 2.365 4.325 0.195 4 0 "[ . 1 . ]" 1
428 1 56 THR MG 1 57 TYR H 4.620 . 4.620 3.965 3.324 4.411 . 0 0 "[ . 1 . ]" 1
429 1 59 PRO HA 1 60 GLU H 3.420 . 3.420 2.433 2.171 3.398 . 0 0 "[ . 1 . ]" 1
430 1 59 PRO QB 1 60 GLU H 4.610 . 4.610 3.404 2.077 3.869 . 0 0 "[ . 1 . ]" 1
431 1 60 GLU H 1 61 SER H 4.570 . 4.570 3.405 2.447 4.583 0.013 18 0 "[ . 1 . ]" 1
432 1 4 ILE H 1 5 GLU HA 5.340 . 5.340 5.286 5.038 5.407 0.067 6 0 "[ . 1 . ]" 1
433 1 13 ILE MD 1 14 GLY H 4.870 . 4.870 4.787 4.285 4.933 0.063 8 0 "[ . 1 . ]" 1
434 1 18 ALA MB 1 19 ILE HA 4.280 . 4.280 4.132 4.057 4.182 . 0 0 "[ . 1 . ]" 1
435 1 12 ILE H 1 12 ILE MG 2.870 . 2.870 2.299 2.223 2.402 . 0 0 "[ . 1 . ]" 1
436 1 8 ILE MG 1 9 VAL H 3.280 . 3.280 3.279 3.099 3.363 0.083 12 0 "[ . 1 . ]" 1
437 1 19 ILE H 1 19 ILE MG 3.550 . 3.550 2.687 2.605 2.760 . 0 0 "[ . 1 . ]" 1
438 1 13 ILE HB 1 14 GLY QA 4.690 . 4.690 4.246 4.111 4.519 . 0 0 "[ . 1 . ]" 1
439 1 21 ILE MG 1 23 GLN H 4.610 . 4.610 4.865 4.822 4.918 0.308 12 0 "[ . 1 . ]" 1
440 1 35 ALA H 1 35 ALA MB 2.840 . 2.840 2.280 2.250 2.320 . 0 0 "[ . 1 . ]" 1
441 1 51 PHE H 1 52 ALA MB 4.270 . 4.270 4.295 4.073 4.522 0.252 1 0 "[ . 1 . ]" 1
442 1 52 ALA H 1 52 ALA MB 3.050 . 3.050 2.437 2.260 2.962 . 0 0 "[ . 1 . ]" 1
443 1 50 ALA H 1 50 ALA MB 3.030 . 3.030 2.260 2.234 2.287 . 0 0 "[ . 1 . ]" 1
444 1 50 ALA MB 1 51 PHE H 3.160 . 3.160 2.500 2.346 2.822 . 0 0 "[ . 1 . ]" 1
445 1 13 ILE HA 1 16 LEU MD2 4.050 . 4.050 4.052 3.854 4.176 0.126 4 0 "[ . 1 . ]" 1
446 1 19 ILE H 1 20 ALA HA 5.050 . 5.050 4.996 4.949 5.030 . 0 0 "[ . 1 . ]" 1
447 1 17 ALA HA 1 19 ILE H 4.610 . 4.610 4.266 4.139 4.364 . 0 0 "[ . 1 . ]" 1
448 1 42 ASN H 1 45 THR HB 6.000 . 6.000 5.443 5.039 5.644 . 0 0 "[ . 1 . ]" 1
449 1 43 LEU QB 1 45 THR MG 5.450 . 5.450 5.429 5.309 5.554 0.104 7 0 "[ . 1 . ]" 1
450 1 41 ARG QB 1 45 THR MG 5.050 . 5.050 4.596 3.798 5.058 0.008 11 0 "[ . 1 . ]" 1
451 1 55 GLN HA 1 57 TYR H 4.620 . 4.620 4.167 3.373 4.738 0.118 18 0 "[ . 1 . ]" 1
452 1 42 ASN HA 1 45 THR MG 3.320 . 3.320 2.104 1.861 2.413 . 0 0 "[ . 1 . ]" 1
453 1 54 ASP QB 1 55 GLN H 4.870 . 4.870 3.373 2.169 4.061 . 0 0 "[ . 1 . ]" 1
454 1 34 SER H 1 34 SER HB2 3.730 . 3.730 2.686 2.548 2.866 . 0 0 "[ . 1 . ]" 1
455 1 34 SER HB3 1 35 ALA H 3.850 . 3.850 2.530 2.181 3.635 . 0 0 "[ . 1 . ]" 1
456 1 25 SER H 1 25 SER QB 3.130 . 3.130 2.325 2.272 2.503 . 0 0 "[ . 1 . ]" 1
457 1 5 GLU HA 1 8 ILE MD 3.570 . 3.570 2.450 1.909 2.917 . 0 0 "[ . 1 . ]" 1
458 1 4 ILE HA 1 8 ILE H 4.660 . 4.660 4.295 4.010 4.526 . 0 0 "[ . 1 . ]" 1
459 1 45 THR HA 1 48 GLU H 4.410 . 4.410 3.439 2.913 4.437 0.027 16 0 "[ . 1 . ]" 1
460 1 9 VAL HA 1 13 ILE H 4.640 . 4.640 3.968 3.811 4.120 . 0 0 "[ . 1 . ]" 1
461 1 6 LEU HB2 1 8 ILE H 6.000 . 6.000 5.369 5.035 6.024 0.024 13 0 "[ . 1 . ]" 1
462 1 17 ALA MB 1 21 ILE MD 3.480 . 3.480 2.360 2.088 2.554 . 0 0 "[ . 1 . ]" 1
463 1 20 ALA MB 1 21 ILE MD 3.970 . 3.970 2.946 2.106 4.012 0.042 10 0 "[ . 1 . ]" 1
464 1 45 THR HB 1 46 ALA MB 6.000 . 6.000 5.322 5.227 5.432 . 0 0 "[ . 1 . ]" 1
465 1 8 ILE HB 1 9 VAL HA 4.700 . 4.700 4.431 4.327 4.554 . 0 0 "[ . 1 . ]" 1
466 1 9 VAL HA 1 12 ILE HB 4.980 . 4.980 5.061 4.991 5.144 0.164 8 0 "[ . 1 . ]" 1
467 1 9 VAL HA 1 9 VAL MG1 3.480 . 3.480 2.790 2.474 3.293 . 0 0 "[ . 1 . ]" 1
468 1 9 VAL HA 1 9 VAL MG2 3.480 . 3.480 2.354 2.274 2.449 . 0 0 "[ . 1 . ]" 1
469 1 9 VAL HA 1 12 ILE MD 3.790 . 3.790 2.342 2.167 2.846 . 0 0 "[ . 1 . ]" 1
470 1 10 VAL HA 1 13 ILE HB 5.150 . 5.150 3.029 2.570 3.408 . 0 0 "[ . 1 . ]" 1
471 1 10 VAL HA 1 13 ILE MD 4.150 . 4.150 3.764 3.078 4.274 0.124 5 0 "[ . 1 . ]" 1
472 1 10 VAL HA 1 10 VAL MG1 3.360 . 3.360 2.840 2.524 3.277 . 0 0 "[ . 1 . ]" 1
473 1 10 VAL HA 1 10 VAL MG2 3.360 . 3.360 2.327 2.247 2.408 . 0 0 "[ . 1 . ]" 1
474 1 8 ILE HA 1 8 ILE HG12 3.710 . 3.710 2.648 2.608 2.699 . 0 0 "[ . 1 . ]" 1
475 1 13 ILE HA 1 16 LEU HG 3.800 . 3.800 2.386 2.166 2.535 . 0 0 "[ . 1 . ]" 1
476 1 8 ILE HA 1 8 ILE HG13 3.710 . 3.710 2.921 2.843 2.968 . 0 0 "[ . 1 . ]" 1
477 1 8 ILE HA 1 8 ILE MG 2.850 . 2.850 2.520 2.468 2.575 . 0 0 "[ . 1 . ]" 1
478 1 12 ILE HA 1 12 ILE MG 3.080 . 3.080 2.347 2.308 2.370 . 0 0 "[ . 1 . ]" 1
479 1 3 LEU QB 1 4 ILE HA 5.230 . 5.230 4.248 3.996 4.717 . 0 0 "[ . 1 . ]" 1
480 1 4 ILE HA 1 4 ILE MD 3.300 . 3.300 2.092 1.987 2.355 . 0 0 "[ . 1 . ]" 1
481 1 4 ILE HA 1 7 LEU QD 4.310 . 4.310 3.313 2.167 4.419 0.109 16 0 "[ . 1 . ]" 1
482 1 4 ILE HA 1 8 ILE MD 4.800 . 4.800 4.412 4.145 4.786 . 0 0 "[ . 1 . ]" 1
483 1 28 ARG QB 1 29 VAL HA 6.000 . 6.000 4.320 3.990 4.741 . 0 0 "[ . 1 . ]" 1
484 1 49 SER HA 1 52 ALA MB 4.370 . 4.370 3.176 2.170 4.473 0.103 1 0 "[ . 1 . ]" 1
485 1 43 LEU QB 1 44 LYS HA 4.580 . 4.580 3.974 3.810 4.584 0.004 14 0 "[ . 1 . ]" 1
486 1 44 LYS HA 1 44 LYS QD 4.820 . 4.820 3.498 2.141 4.337 . 0 0 "[ . 1 . ]" 1
487 1 44 LYS HA 1 47 LEU QD 4.170 . 4.170 3.256 2.172 4.356 0.186 16 0 "[ . 1 . ]" 1
488 1 25 SER HA 1 28 ARG QD 6.000 . 6.000 3.539 2.593 5.674 . 0 0 "[ . 1 . ]" 1
489 1 25 SER HA 1 28 ARG QB 4.580 . 4.580 3.671 3.023 4.454 . 0 0 "[ . 1 . ]" 1
490 1 25 SER HA 1 28 ARG QG 6.000 . 6.000 3.370 2.288 4.709 . 0 0 "[ . 1 . ]" 1
491 1 25 SER HA 1 26 ALA MB 5.120 . 5.120 5.085 5.043 5.104 . 0 0 "[ . 1 . ]" 1
492 1 25 SER QB 1 26 ALA HA 6.000 . 6.000 4.227 3.882 4.408 . 0 0 "[ . 1 . ]" 1
493 1 5 GLU HA 1 8 ILE HB 3.860 . 3.860 2.793 2.400 3.044 . 0 0 "[ . 1 . ]" 1
494 1 36 ALA MB 1 37 SER HA 5.660 . 5.660 3.892 3.757 4.044 . 0 0 "[ . 1 . ]" 1
495 1 27 TYR HA 1 30 LYS QB 4.700 . 4.700 3.650 2.310 4.236 . 0 0 "[ . 1 . ]" 1
496 1 37 SER HA 1 40 LEU QB 5.040 . 5.040 3.237 2.386 4.729 . 0 0 "[ . 1 . ]" 1
497 1 27 TYR HA 1 30 LYS QD 3.920 . 3.920 2.584 2.099 3.067 . 0 0 "[ . 1 . ]" 1
498 1 26 ALA MB 1 27 TYR HA 5.910 . 5.910 4.016 3.896 4.162 . 0 0 "[ . 1 . ]" 1
499 1 41 ARG HA 1 42 ASN QB 6.000 . 6.000 5.249 5.205 5.315 . 0 0 "[ . 1 . ]" 1
500 1 48 GLU HA 1 52 ALA MB 5.980 . 5.980 4.410 1.973 5.898 . 0 0 "[ . 1 . ]" 1
501 1 6 LEU HA 1 9 VAL HB 4.480 . 4.480 3.074 2.331 4.010 . 0 0 "[ . 1 . ]" 1
502 1 7 LEU HA 1 10 VAL HB 3.780 . 3.780 3.384 2.670 3.911 0.131 13 0 "[ . 1 . ]" 1
503 1 7 LEU HA 1 7 LEU HG 3.930 . 3.930 3.286 2.622 3.795 . 0 0 "[ . 1 . ]" 1
504 1 3 LEU HA 1 3 LEU QD 3.670 . 3.670 2.562 1.997 3.503 . 0 0 "[ . 1 . ]" 1
505 1 7 LEU HA 1 7 LEU QD 3.510 . 3.510 2.130 1.928 3.006 . 0 0 "[ . 1 . ]" 1
506 1 3 LEU HA 1 6 LEU HG 4.020 . 4.020 2.892 2.078 3.620 . 0 0 "[ . 1 . ]" 1
507 1 41 ARG HA 1 44 LYS HB2 4.590 . 4.590 3.652 3.196 4.302 . 0 0 "[ . 1 . ]" 1
508 1 43 LEU HA 1 46 ALA MB 4.010 . 4.010 2.745 2.509 3.075 . 0 0 "[ . 1 . ]" 1
509 1 16 LEU HA 1 19 ILE H 4.870 . 4.870 3.904 3.700 4.146 . 0 0 "[ . 1 . ]" 1
510 1 6 LEU HA 1 6 LEU HG 3.840 . 3.840 3.382 3.068 3.865 0.025 18 0 "[ . 1 . ]" 1
511 1 16 LEU HA 1 16 LEU HG 4.170 . 4.170 3.452 3.379 3.514 . 0 0 "[ . 1 . ]" 1
512 1 16 LEU HA 1 19 ILE HG13 4.980 . 4.980 2.520 2.329 2.794 . 0 0 "[ . 1 . ]" 1
513 1 6 LEU HA 1 6 LEU QD 3.380 . 3.380 2.485 2.057 3.472 0.092 18 0 "[ . 1 . ]" 1
514 1 23 GLN HA 1 26 ALA MB 5.780 . 5.780 3.154 2.764 3.428 . 0 0 "[ . 1 . ]" 1
515 1 43 LEU HA 1 43 LEU QD 3.340 . 3.340 2.148 2.007 3.490 0.150 14 0 "[ . 1 . ]" 1
516 1 41 ARG HA 1 44 LYS HB3 4.820 . 4.820 2.714 2.422 3.154 . 0 0 "[ . 1 . ]" 1
517 1 40 LEU HA 1 40 LEU HG 3.980 . 3.980 3.279 2.483 3.785 . 0 0 "[ . 1 . ]" 1
518 1 11 ALA HA 1 14 GLY QA 3.670 . 3.670 3.614 3.444 3.721 0.051 4 0 "[ . 1 . ]" 1
519 1 45 THR MG 1 46 ALA HA 4.150 . 4.150 3.306 3.213 3.418 . 0 0 "[ . 1 . ]" 1
520 1 17 ALA MB 1 18 ALA HA 4.340 . 4.340 3.821 3.777 3.905 . 0 0 "[ . 1 . ]" 1
521 1 19 ILE HG13 1 20 ALA HA 4.420 . 4.420 4.465 4.444 4.517 0.097 3 0 "[ . 1 . ]" 1
522 1 40 LEU H 1 40 LEU MD1 4.210 . 4.210 3.592 2.360 4.090 . 0 0 "[ . 1 . ]" 1
523 1 13 ILE H 1 16 LEU MD1 5.250 . 5.250 4.430 4.244 4.918 . 0 0 "[ . 1 . ]" 1
524 1 26 ALA HA 1 29 VAL QG 4.210 . 4.210 2.902 2.329 3.542 . 0 0 "[ . 1 . ]" 1
525 1 36 ALA HA 1 39 ASP QB 4.470 . 4.470 2.661 2.328 3.282 . 0 0 "[ . 1 . ]" 1
526 1 14 GLY QA 1 15 ILE HB 5.700 . 5.700 4.921 4.767 5.200 . 0 0 "[ . 1 . ]" 1
527 1 40 LEU MD2 1 41 ARG H 5.440 . 5.440 4.670 4.346 5.026 . 0 0 "[ . 1 . ]" 1
528 1 13 ILE MG 1 14 GLY QA 4.610 . 4.610 3.465 3.153 3.643 . 0 0 "[ . 1 . ]" 1
529 1 4 ILE HB 1 5 GLU H 5.310 . 5.310 2.532 2.342 2.800 . 0 0 "[ . 1 . ]" 1
530 1 2 THR MG 1 4 ILE HB 5.070 . 5.070 2.768 1.936 4.304 . 0 0 "[ . 1 . ]" 1
531 1 4 ILE HB 1 4 ILE MD 3.660 . 3.660 3.236 2.537 3.283 . 0 0 "[ . 1 . ]" 1
532 1 9 VAL H 1 9 VAL MG1 3.380 . 3.380 3.280 2.240 3.782 0.402 9 0 "[ . 1 . ]" 1
533 1 49 SER HA 1 52 ALA H 4.410 . 4.410 3.728 3.287 4.394 . 0 0 "[ . 1 . ]" 1
534 1 10 VAL MG1 1 11 ALA H 4.300 . 4.300 3.084 2.419 3.599 . 0 0 "[ . 1 . ]" 1
535 1 16 LEU H 1 16 LEU MD2 3.290 . 3.290 2.688 2.621 2.809 . 0 0 "[ . 1 . ]" 1
536 1 15 ILE H 1 16 LEU MD2 4.320 . 4.320 4.504 4.463 4.582 0.262 1 0 "[ . 1 . ]" 1
537 1 10 VAL H 1 10 VAL MG1 3.340 . 3.340 3.253 2.360 3.767 0.427 14 0 "[ . 1 . ]" 1
538 1 44 LYS H 1 45 THR MG 4.340 . 4.340 4.040 3.819 4.402 0.062 14 0 "[ . 1 . ]" 1
539 1 45 THR MG 1 46 ALA H 3.550 . 3.550 2.273 2.169 2.367 . 0 0 "[ . 1 . ]" 1
540 1 10 VAL MG2 1 11 ALA H 4.300 . 4.300 4.100 4.008 4.191 . 0 0 "[ . 1 . ]" 1
541 1 46 ALA HA 1 47 LEU QD 6.000 . 6.000 5.260 4.287 6.105 0.105 11 0 "[ . 1 . ]" 1
542 1 8 ILE HA 1 11 ALA MB 3.170 . 3.170 2.485 2.326 2.715 . 0 0 "[ . 1 . ]" 1
543 1 14 GLY QA 1 17 ALA MB 3.660 . 3.660 3.041 2.741 3.261 . 0 0 "[ . 1 . ]" 1
544 1 16 LEU HA 1 20 ALA MB 4.180 . 4.180 4.173 3.971 4.264 0.084 16 0 "[ . 1 . ]" 1
545 1 20 ALA MB 1 21 ILE HB 6.000 . 6.000 4.441 4.321 4.567 . 0 0 "[ . 1 . ]" 1
546 1 20 ALA MB 1 23 GLN QB 4.030 . 4.030 4.084 3.934 4.306 0.276 18 0 "[ . 1 . ]" 1
547 1 19 ILE HG12 1 20 ALA MB 4.950 . 4.950 4.817 4.621 4.933 . 0 0 "[ . 1 . ]" 1
548 1 19 ILE HB 1 19 ILE MD 3.050 . 3.050 2.317 2.303 2.326 . 0 0 "[ . 1 . ]" 1
549 1 31 ALA H 1 31 ALA MB 2.920 . 2.920 2.295 2.262 2.325 . 0 0 "[ . 1 . ]" 1
550 1 17 ALA MB 1 18 ALA H 3.380 . 3.380 2.409 2.278 2.555 . 0 0 "[ . 1 . ]" 1
551 1 19 ILE MD 1 20 ALA HA 6.000 . 6.000 2.440 2.368 2.501 . 0 0 "[ . 1 . ]" 1
552 1 16 LEU HA 1 16 LEU MD2 2.900 . 2.900 2.201 2.132 2.278 . 0 0 "[ . 1 . ]" 1
553 1 3 LEU HA 1 6 LEU H 4.750 . 4.750 3.483 3.193 4.024 . 0 0 "[ . 1 . ]" 1
554 1 2 THR HA 1 3 LEU QB 4.820 . 4.820 4.412 4.095 4.598 . 0 0 "[ . 1 . ]" 1
555 1 4 ILE MD 1 8 ILE H 5.670 . 5.670 5.650 5.290 5.915 0.245 1 0 "[ . 1 . ]" 1
556 1 4 ILE MD 1 7 LEU H 5.340 . 5.340 4.975 4.647 5.345 0.005 2 0 "[ . 1 . ]" 1
557 1 12 ILE HB 1 13 ILE H 4.450 . 4.450 3.697 3.539 3.849 . 0 0 "[ . 1 . ]" 1
558 1 8 ILE H 1 8 ILE MD 3.330 . 3.330 3.448 3.420 3.477 0.147 13 0 "[ . 1 . ]" 1
559 1 10 VAL HA 1 13 ILE H 4.030 . 4.030 3.991 3.769 4.122 0.092 15 0 "[ . 1 . ]" 1
560 1 11 ALA HA 1 14 GLY H 4.730 . 4.730 3.725 3.552 3.877 . 0 0 "[ . 1 . ]" 1
561 1 11 ALA H 1 11 ALA MB 2.760 . 2.760 2.270 2.253 2.300 . 0 0 "[ . 1 . ]" 1
562 1 14 GLY H 1 15 ILE MD 4.620 . 4.620 4.559 4.018 4.702 0.082 5 0 "[ . 1 . ]" 1
563 1 11 ALA MB 1 15 ILE MD 3.280 . 3.280 3.271 2.990 3.464 0.184 17 0 "[ . 1 . ]" 1
564 1 15 ILE H 1 15 ILE MD 2.810 . 2.810 2.941 2.372 3.122 0.312 3 0 "[ . 1 . ]" 1
565 1 13 ILE HA 1 16 LEU QB 5.770 . 5.770 2.566 2.387 2.846 . 0 0 "[ . 1 . ]" 1
566 1 16 LEU MD1 1 17 ALA H 5.130 . 5.130 4.731 4.657 4.886 . 0 0 "[ . 1 . ]" 1
567 1 17 ALA H 1 17 ALA MB 2.990 . 2.990 2.260 2.246 2.272 . 0 0 "[ . 1 . ]" 1
568 1 18 ALA HA 1 20 ALA H 4.480 . 4.480 4.571 4.480 4.680 0.200 6 0 "[ . 1 . ]" 1
569 1 15 ILE HA 1 18 ALA MB 3.740 . 3.740 2.496 2.183 2.746 . 0 0 "[ . 1 . ]" 1
570 1 46 ALA MB 1 47 LEU QB 5.960 . 5.960 3.948 3.681 4.531 . 0 0 "[ . 1 . ]" 1
571 1 18 ALA H 1 18 ALA MB 3.050 . 3.050 2.252 2.229 2.273 . 0 0 "[ . 1 . ]" 1
572 1 19 ILE HA 1 19 ILE HG13 3.660 . 3.660 3.694 3.678 3.711 0.051 12 0 "[ . 1 . ]" 1
573 1 18 ALA MB 1 19 ILE HB 6.000 . 6.000 5.465 5.387 5.539 . 0 0 "[ . 1 . ]" 1
574 1 19 ILE HB 1 20 ALA MB 6.000 . 6.000 4.920 4.767 5.022 . 0 0 "[ . 1 . ]" 1
575 1 19 ILE H 1 19 ILE HB 3.830 . 3.830 3.739 3.721 3.772 . 0 0 "[ . 1 . ]" 1
576 1 16 LEU H 1 19 ILE MD 5.270 . 5.270 5.207 5.101 5.280 0.010 5 0 "[ . 1 . ]" 1
577 1 19 ILE H 1 19 ILE MD 3.830 . 3.830 3.484 3.444 3.547 . 0 0 "[ . 1 . ]" 1
578 1 19 ILE HA 1 19 ILE MD 3.320 . 3.320 3.738 3.720 3.760 0.440 9 0 "[ . 1 . ]" 1
579 1 19 ILE HG13 1 20 ALA H 4.600 . 4.600 2.552 2.437 2.635 . 0 0 "[ . 1 . ]" 1
580 1 19 ILE HA 1 19 ILE MG 3.140 . 3.140 2.311 2.297 2.324 . 0 0 "[ . 1 . ]" 1
581 1 19 ILE MG 1 20 ALA HA 6.000 . 6.000 5.469 5.424 5.509 . 0 0 "[ . 1 . ]" 1
582 1 20 ALA HA 1 21 ILE MD 6.000 . 6.000 5.141 4.378 6.119 0.119 11 0 "[ . 1 . ]" 1
583 1 20 ALA HA 1 23 GLN QG 5.080 . 5.080 4.278 2.200 4.670 . 0 0 "[ . 1 . ]" 1
584 1 20 ALA HA 1 23 GLN QB 4.340 . 4.340 2.630 2.438 2.850 . 0 0 "[ . 1 . ]" 1
585 1 17 ALA HA 1 20 ALA MB 3.620 . 3.620 2.540 2.286 3.093 . 0 0 "[ . 1 . ]" 1
586 1 19 ILE H 1 20 ALA MB 4.250 . 4.250 4.087 4.030 4.144 . 0 0 "[ . 1 . ]" 1
587 1 20 ALA H 1 20 ALA MB 3.020 . 3.020 2.284 2.240 2.315 . 0 0 "[ . 1 . ]" 1
588 1 17 ALA H 1 21 ILE MD 6.000 . 6.000 4.845 4.586 5.214 . 0 0 "[ . 1 . ]" 1
589 1 17 ALA HA 1 21 ILE MD 3.680 . 3.680 2.872 2.396 3.573 . 0 0 "[ . 1 . ]" 1
590 1 18 ALA HA 1 21 ILE MD 3.900 . 3.900 3.736 3.076 4.040 0.140 14 0 "[ . 1 . ]" 1
591 1 21 ILE H 1 21 ILE MD 3.590 . 3.590 2.496 1.989 3.213 . 0 0 "[ . 1 . ]" 1
592 1 21 ILE HA 1 21 ILE MD 3.810 . 3.810 3.259 2.760 3.857 0.047 12 0 "[ . 1 . ]" 1
593 1 21 ILE HB 1 21 ILE MD 3.360 . 3.360 2.385 2.329 2.450 . 0 0 "[ . 1 . ]" 1
594 1 21 ILE MG 1 22 PRO HB3 4.140 . 4.140 4.122 3.906 4.209 0.069 13 0 "[ . 1 . ]" 1
595 1 21 ILE HA 1 21 ILE MG 3.330 . 3.330 2.638 2.564 2.707 . 0 0 "[ . 1 . ]" 1
596 1 21 ILE MG 1 22 PRO HA 4.820 . 4.820 3.342 3.250 3.440 . 0 0 "[ . 1 . ]" 1
597 1 21 ILE MG 1 22 PRO HD3 4.320 . 4.320 2.738 2.552 2.858 . 0 0 "[ . 1 . ]" 1
598 1 22 PRO HA 1 25 SER H 3.680 . 3.680 3.682 3.444 3.795 0.115 12 0 "[ . 1 . ]" 1
599 1 22 PRO HB2 1 25 SER H 5.660 . 5.660 5.644 5.445 5.743 0.083 12 0 "[ . 1 . ]" 1
600 1 21 ILE H 1 22 PRO HD2 4.450 . 4.450 2.399 2.252 2.514 . 0 0 "[ . 1 . ]" 1
601 1 21 ILE H 1 22 PRO HD3 4.450 . 4.450 3.583 3.470 3.679 . 0 0 "[ . 1 . ]" 1
602 1 21 ILE MG 1 22 PRO HD2 4.320 . 4.320 3.630 3.492 3.736 . 0 0 "[ . 1 . ]" 1
603 1 23 GLN HA 1 23 GLN QG 3.680 . 3.680 2.629 2.554 3.245 . 0 0 "[ . 1 . ]" 1
604 1 23 GLN HA 1 27 TYR H 4.420 . 4.420 4.406 4.307 4.520 0.100 3 0 "[ . 1 . ]" 1
605 1 19 ILE MG 1 23 GLN QB 4.620 . 4.620 4.782 4.702 4.861 0.241 6 0 "[ . 1 . ]" 1
606 1 26 ALA HA 1 29 VAL H 3.690 . 3.690 3.450 2.975 3.786 0.096 5 0 "[ . 1 . ]" 1
607 1 26 ALA HA 1 29 VAL HB 4.860 . 4.860 2.439 1.988 2.993 . 0 0 "[ . 1 . ]" 1
608 1 26 ALA HA 1 30 LYS H 5.520 . 5.520 3.865 3.604 4.169 . 0 0 "[ . 1 . ]" 1
609 1 26 ALA MB 1 27 TYR HB2 5.160 . 5.160 4.353 4.090 4.640 . 0 0 "[ . 1 . ]" 1
610 1 26 ALA MB 1 27 TYR H 3.260 . 3.260 2.889 2.777 3.026 . 0 0 "[ . 1 . ]" 1
611 1 23 GLN QB 1 26 ALA MB 4.940 . 4.940 4.838 4.513 5.041 0.101 12 0 "[ . 1 . ]" 1
612 1 25 SER QB 1 26 ALA MB 5.370 . 5.370 3.736 3.579 4.023 . 0 0 "[ . 1 . ]" 1
613 1 26 ALA MB 1 27 TYR HB3 5.280 . 5.280 4.937 4.757 5.108 . 0 0 "[ . 1 . ]" 1
614 1 22 PRO HA 1 26 ALA MB 5.030 . 5.030 4.228 3.853 4.662 . 0 0 "[ . 1 . ]" 1
615 1 26 ALA H 1 26 ALA MB 3.060 . 3.060 2.253 2.230 2.281 . 0 0 "[ . 1 . ]" 1
616 1 28 ARG HA 1 31 ALA H 3.130 . 3.130 3.275 3.117 3.495 0.365 3 0 "[ . 1 . ]" 1
617 1 29 VAL HA 1 29 VAL QG 3.020 . 3.020 2.186 2.171 2.205 . 0 0 "[ . 1 . ]" 1
618 1 32 TYR HA 1 35 ALA MB 5.500 . 5.500 3.750 3.014 4.480 . 0 0 "[ . 1 . ]" 1
619 1 35 ALA MB 1 39 ASP QB 4.670 . 4.670 4.113 3.699 4.873 0.203 15 0 "[ . 1 . ]" 1
620 1 36 ALA MB 1 39 ASP QB 5.090 . 5.090 3.967 3.608 4.623 . 0 0 "[ . 1 . ]" 1
621 1 33 ASN HA 1 36 ALA MB 5.050 . 5.050 2.946 2.198 3.850 . 0 0 "[ . 1 . ]" 1
622 1 38 SER HA 1 41 ARG QB 4.290 . 4.290 2.373 1.823 2.818 . 0 0 "[ . 1 . ]" 1
623 1 39 ASP HA 1 43 LEU HG 4.720 . 4.720 3.910 3.136 4.806 0.086 14 0 "[ . 1 . ]" 1
624 1 45 THR HA 1 45 THR MG 3.180 . 3.180 3.257 3.243 3.273 0.093 10 0 "[ . 1 . ]" 1
625 1 46 ALA HA 1 50 ALA H 6.000 . 6.000 4.308 3.818 4.843 . 0 0 "[ . 1 . ]" 1
626 1 46 ALA H 1 46 ALA MB 2.860 . 2.860 2.257 2.235 2.289 . 0 0 "[ . 1 . ]" 1
627 1 28 ARG HA 1 31 ALA MB 5.210 . 5.210 2.290 2.088 2.553 . 0 0 "[ . 1 . ]" 1
628 1 47 LEU HA 1 50 ALA MB 5.520 . 5.520 2.653 2.318 3.515 . 0 0 "[ . 1 . ]" 1
629 1 47 LEU HA 1 47 LEU HG 4.190 . 4.190 3.059 2.540 3.827 . 0 0 "[ . 1 . ]" 1
630 1 47 LEU HA 1 47 LEU QD 3.220 . 3.220 2.357 1.977 3.419 0.199 12 0 "[ . 1 . ]" 1
631 1 48 GLU HA 1 48 GLU HG2 3.940 . 3.940 3.381 2.576 3.859 . 0 0 "[ . 1 . ]" 1
632 1 48 GLU HA 1 48 GLU HG3 3.940 . 3.940 3.599 3.003 3.907 . 0 0 "[ . 1 . ]" 1
633 1 51 PHE H 1 51 PHE HB3 3.710 . 3.710 3.083 2.412 3.701 . 0 0 "[ . 1 . ]" 1
634 1 57 TYR HA 1 58 PRO HD2 3.480 . 3.480 2.471 2.196 2.917 . 0 0 "[ . 1 . ]" 1
635 1 57 TYR HA 1 58 PRO HD3 3.480 . 3.480 2.364 1.965 2.630 . 0 0 "[ . 1 . ]" 1
636 1 26 ALA MB 1 29 VAL QG 6.000 . 6.000 3.862 3.308 4.438 . 0 0 "[ . 1 . ]" 1
637 1 47 LEU QD 1 50 ALA MB 6.000 . 6.000 3.595 2.820 4.352 . 0 0 "[ . 1 . ]" 1
638 1 2 THR H 1 5 GLU QB 4.200 . 4.200 3.207 2.408 3.666 . 0 0 "[ . 1 . ]" 1
639 1 2 THR H 1 5 GLU QG 4.600 . 4.600 3.409 2.265 4.221 . 0 0 "[ . 1 . ]" 1
640 1 3 LEU HA 1 5 GLU QB 5.810 . 5.810 5.126 4.582 5.769 . 0 0 "[ . 1 . ]" 1
641 1 3 LEU HA 1 7 LEU QB 5.810 . 5.810 4.882 4.261 5.763 . 0 0 "[ . 1 . ]" 1
642 1 4 ILE H 1 4 ILE QG 3.600 . 3.600 2.321 2.149 3.531 . 0 0 "[ . 1 . ]" 1
643 1 4 ILE H 1 5 GLU QB 5.810 . 5.810 4.587 4.019 4.889 . 0 0 "[ . 1 . ]" 1
644 1 4 ILE H 1 5 GLU QG 5.810 . 5.810 4.524 3.946 5.857 0.047 12 0 "[ . 1 . ]" 1
645 1 4 ILE H 1 6 LEU QB 5.300 . 5.300 5.074 4.692 5.520 0.220 18 0 "[ . 1 . ]" 1
646 1 4 ILE HA 1 4 ILE QG 3.510 . 3.510 2.974 2.515 3.027 . 0 0 "[ . 1 . ]" 1
647 1 4 ILE HA 1 6 LEU QB 5.810 . 5.810 5.361 4.850 6.071 0.261 12 0 "[ . 1 . ]" 1
648 1 4 ILE HA 1 7 LEU QB 3.760 . 3.760 2.627 2.303 3.083 . 0 0 "[ . 1 . ]" 1
649 1 4 ILE QG 1 5 GLU H 5.810 . 5.810 4.037 3.915 4.608 . 0 0 "[ . 1 . ]" 1
650 1 5 GLU H 1 5 GLU QB 3.350 . 3.350 2.456 2.212 2.595 . 0 0 "[ . 1 . ]" 1
651 1 5 GLU H 1 5 GLU QG 3.790 . 3.790 2.428 2.081 4.006 0.216 12 0 "[ . 1 . ]" 1
652 1 5 GLU H 1 6 LEU QB 5.120 . 5.120 4.819 4.672 5.002 . 0 0 "[ . 1 . ]" 1
653 1 5 GLU H 1 9 VAL QG 5.810 . 5.810 5.687 5.444 5.928 0.118 15 0 "[ . 1 . ]" 1
654 1 5 GLU HA 1 9 VAL QG 4.890 . 4.890 4.102 3.642 4.872 . 0 0 "[ . 1 . ]" 1
655 1 5 GLU QB 1 6 LEU H 3.550 . 3.550 2.627 2.436 2.871 . 0 0 "[ . 1 . ]" 1
656 1 5 GLU QB 1 9 VAL H 5.320 . 5.320 4.752 4.420 5.343 0.023 12 0 "[ . 1 . ]" 1
657 1 5 GLU QG 1 6 LEU H 4.760 . 4.760 4.137 3.375 4.351 . 0 0 "[ . 1 . ]" 1
658 1 6 LEU H 1 6 LEU QB 3.360 . 3.360 2.480 2.188 2.560 . 0 0 "[ . 1 . ]" 1
659 1 6 LEU H 1 9 VAL QG 4.780 . 4.780 4.358 4.120 4.619 . 0 0 "[ . 1 . ]" 1
660 1 6 LEU HA 1 9 VAL QG 4.070 . 4.070 2.716 1.857 3.355 . 0 0 "[ . 1 . ]" 1
661 1 6 LEU QB 1 7 LEU H 3.740 . 3.740 2.836 2.377 3.641 . 0 0 "[ . 1 . ]" 1
662 1 7 LEU H 1 7 LEU QB 3.130 . 3.130 2.221 2.126 2.461 . 0 0 "[ . 1 . ]" 1
663 1 7 LEU H 1 10 VAL QG 4.800 . 4.800 4.498 4.119 4.833 0.033 6 0 "[ . 1 . ]" 1
664 1 8 ILE H 1 8 ILE QG 3.320 . 3.320 2.178 2.098 2.310 . 0 0 "[ . 1 . ]" 1
665 1 8 ILE HA 1 8 ILE QG 3.150 . 3.150 2.460 2.425 2.502 . 0 0 "[ . 1 . ]" 1
666 1 8 ILE QG 1 9 VAL H 4.390 . 4.390 4.160 4.064 4.257 . 0 0 "[ . 1 . ]" 1
667 1 9 VAL H 1 9 VAL QG 2.810 . 2.810 2.214 2.038 2.402 . 0 0 "[ . 1 . ]" 1
668 1 9 VAL HA 1 9 VAL QG 3.050 . 3.050 2.208 2.165 2.267 . 0 0 "[ . 1 . ]" 1
669 1 9 VAL HA 1 12 ILE QG 3.780 . 3.780 2.150 2.062 2.245 . 0 0 "[ . 1 . ]" 1
670 1 9 VAL QG 1 10 VAL H 3.770 . 3.770 2.802 2.120 3.248 . 0 0 "[ . 1 . ]" 1
671 1 10 VAL H 1 10 VAL QG 2.760 . 2.760 2.311 2.130 2.537 . 0 0 "[ . 1 . ]" 1
672 1 10 VAL HA 1 10 VAL QG 2.930 . 2.930 2.199 2.176 2.238 . 0 0 "[ . 1 . ]" 1
673 1 10 VAL QG 1 11 ALA H 3.440 . 3.440 2.964 2.401 3.379 . 0 0 "[ . 1 . ]" 1
674 1 10 VAL QG 1 11 ALA HA 4.180 . 4.180 3.361 3.157 3.594 . 0 0 "[ . 1 . ]" 1
675 1 10 VAL QG 1 14 GLY H 4.600 . 4.600 4.173 3.947 4.284 . 0 0 "[ . 1 . ]" 1
676 1 10 VAL QG 1 14 GLY QA 4.380 . 4.380 3.975 3.653 4.321 . 0 0 "[ . 1 . ]" 1
677 1 11 ALA HA 1 12 ILE QG 5.810 . 5.810 5.269 5.181 5.374 . 0 0 "[ . 1 . ]" 1
678 1 12 ILE H 1 12 ILE QG 3.070 . 3.070 2.106 2.032 2.149 . 0 0 "[ . 1 . ]" 1
679 1 12 ILE QG 1 13 ILE H 4.110 . 4.110 2.065 1.951 2.421 . 0 0 "[ . 1 . ]" 1
680 1 13 ILE HA 1 13 ILE QG 3.670 . 3.670 2.406 2.361 2.449 . 0 0 "[ . 1 . ]" 1
681 1 13 ILE QG 1 14 GLY H 5.210 . 5.210 4.302 4.162 4.755 . 0 0 "[ . 1 . ]" 1
682 1 13 ILE QG 1 17 ALA H 5.810 . 5.810 5.748 5.324 5.867 0.057 3 0 "[ . 1 . ]" 1
683 1 20 ALA MB 1 23 GLN QE 4.390 . 4.390 3.945 3.176 4.377 . 0 0 "[ . 1 . ]" 1
684 1 21 ILE HB 1 22 PRO QD 5.140 . 5.140 2.268 2.163 2.360 . 0 0 "[ . 1 . ]" 1
685 1 21 ILE MG 1 22 PRO QD 3.790 . 3.790 2.662 2.492 2.773 . 0 0 "[ . 1 . ]" 1
686 1 21 ILE MG 1 24 PHE QB 4.910 . 4.910 4.680 4.002 5.049 0.139 12 0 "[ . 1 . ]" 1
687 1 22 PRO QD 1 25 SER H 5.120 . 5.120 5.120 5.058 5.201 0.081 8 0 "[ . 1 . ]" 1
688 1 23 GLN HA 1 24 PHE QB 5.810 . 5.810 5.265 5.115 5.533 . 0 0 "[ . 1 . ]" 1
689 1 23 GLN QE 1 24 PHE QB 4.240 . 4.240 4.176 3.568 4.334 0.094 3 0 "[ . 1 . ]" 1
690 1 24 PHE QB 1 25 SER HA 5.810 . 5.810 4.278 4.098 4.385 . 0 0 "[ . 1 . ]" 1
691 1 24 PHE QB 1 26 ALA H 5.810 . 5.810 5.009 4.594 5.202 . 0 0 "[ . 1 . ]" 1
692 1 24 PHE QB 1 27 TYR H 4.580 . 4.580 4.722 4.635 4.798 0.218 15 0 "[ . 1 . ]" 1
693 1 27 TYR HA 1 30 LYS QG 5.040 . 5.040 2.608 2.058 3.860 . 0 0 "[ . 1 . ]" 1
694 1 28 ARG H 1 30 LYS QG 5.810 . 5.810 4.870 4.425 5.910 0.100 5 0 "[ . 1 . ]" 1
695 1 29 VAL H 1 30 LYS QG 5.430 . 5.430 4.425 4.012 5.506 0.076 5 0 "[ . 1 . ]" 1
696 1 30 LYS H 1 30 LYS QG 4.100 . 4.100 2.697 2.284 3.794 . 0 0 "[ . 1 . ]" 1
697 1 30 LYS HA 1 33 ASN QB 5.020 . 5.020 2.554 1.869 3.434 . 0 0 "[ . 1 . ]" 1
698 1 30 LYS QG 1 31 ALA H 5.140 . 5.140 2.770 2.441 4.440 . 0 0 "[ . 1 . ]" 1
699 1 30 LYS QG 1 34 SER H 4.450 . 4.450 4.641 4.225 4.767 0.317 18 0 "[ . 1 . ]" 1
700 1 30 LYS QG 1 34 SER QB 4.950 . 4.950 3.746 3.137 4.102 . 0 0 "[ . 1 . ]" 1
701 1 31 ALA H 1 33 ASN QB 5.810 . 5.810 4.903 4.326 5.498 . 0 0 "[ . 1 . ]" 1
702 1 32 TYR H 1 33 ASN QB 5.810 . 5.810 4.506 4.063 4.890 . 0 0 "[ . 1 . ]" 1
703 1 33 ASN H 1 33 ASN QB 3.040 . 3.040 2.397 2.214 2.489 . 0 0 "[ . 1 . ]" 1
704 1 33 ASN QB 1 34 SER HA 5.220 . 5.220 3.903 3.724 4.218 . 0 0 "[ . 1 . ]" 1
705 1 33 ASN QB 1 35 ALA H 5.430 . 5.430 4.931 4.626 5.136 . 0 0 "[ . 1 . ]" 1
706 1 33 ASN QB 1 36 ALA H 5.050 . 5.050 5.154 4.890 5.307 0.257 15 0 "[ . 1 . ]" 1
707 1 33 ASN QB 1 37 SER H 5.810 . 5.810 4.919 4.459 5.483 . 0 0 "[ . 1 . ]" 1
708 1 34 SER H 1 34 SER QB 3.200 . 3.200 2.360 2.290 2.560 . 0 0 "[ . 1 . ]" 1
709 1 34 SER QB 1 35 ALA H 3.310 . 3.310 2.381 2.166 2.594 . 0 0 "[ . 1 . ]" 1
710 1 34 SER QB 1 35 ALA MB 5.050 . 5.050 3.759 3.569 3.949 . 0 0 "[ . 1 . ]" 1
711 1 34 SER QB 1 36 ALA H 5.130 . 5.130 4.637 4.503 4.749 . 0 0 "[ . 1 . ]" 1
712 1 36 ALA H 1 37 SER QB 5.810 . 5.810 4.656 4.254 4.841 . 0 0 "[ . 1 . ]" 1
713 1 37 SER H 1 40 LEU QD 5.560 . 5.560 4.405 4.002 4.877 . 0 0 "[ . 1 . ]" 1
714 1 37 SER HA 1 40 LEU QD 4.290 . 4.290 2.898 2.252 4.095 . 0 0 "[ . 1 . ]" 1
715 1 37 SER QB 1 41 ARG H 5.470 . 5.470 5.049 4.593 5.473 0.003 18 0 "[ . 1 . ]" 1
716 1 37 SER QB 1 41 ARG QB 5.810 . 5.810 4.534 3.918 5.347 . 0 0 "[ . 1 . ]" 1
717 1 38 SER H 1 38 SER QB 3.120 . 3.120 2.422 2.300 2.663 . 0 0 "[ . 1 . ]" 1
718 1 38 SER H 1 40 LEU QD 5.920 . 5.920 5.162 4.618 5.454 . 0 0 "[ . 1 . ]" 1
719 1 38 SER QB 1 39 ASP H 3.550 . 3.550 2.924 2.604 3.580 0.030 8 0 "[ . 1 . ]" 1
720 1 40 LEU HA 1 40 LEU QD 3.190 . 3.190 2.411 2.016 3.479 0.289 7 0 "[ . 1 . ]" 1
721 1 40 LEU QD 1 41 ARG H 4.440 . 4.440 3.844 2.332 4.305 . 0 0 "[ . 1 . ]" 1
722 1 41 ARG HA 1 44 LYS QG 5.530 . 5.530 4.414 3.828 4.970 . 0 0 "[ . 1 . ]" 1
723 1 44 LYS H 1 44 LYS QG 4.260 . 4.260 4.035 3.998 4.087 . 0 0 "[ . 1 . ]" 1
724 1 44 LYS HA 1 44 LYS QG 3.700 . 3.700 2.706 2.461 3.140 . 0 0 "[ . 1 . ]" 1
725 1 44 LYS QG 1 45 THR H 4.620 . 4.620 3.684 3.414 4.359 . 0 0 "[ . 1 . ]" 1
726 1 44 LYS QG 1 45 THR HA 5.040 . 5.040 3.758 3.307 5.042 0.002 15 0 "[ . 1 . ]" 1
727 1 44 LYS QG 1 45 THR HB 5.690 . 5.690 4.664 4.245 5.738 0.048 15 0 "[ . 1 . ]" 1
728 1 44 LYS QG 1 46 ALA H 5.810 . 5.810 5.360 5.069 5.858 0.048 15 0 "[ . 1 . ]" 1
729 1 44 LYS QG 1 48 GLU H 4.850 . 4.850 4.374 3.985 4.917 0.067 15 0 "[ . 1 . ]" 1
730 1 45 THR H 1 48 GLU QG 5.640 . 5.640 4.556 4.003 5.709 0.069 6 0 "[ . 1 . ]" 1
731 1 45 THR HA 1 48 GLU QB 4.370 . 4.370 2.952 2.080 3.915 . 0 0 "[ . 1 . ]" 1
732 1 45 THR HA 1 48 GLU QG 4.630 . 4.630 2.788 1.794 4.793 0.163 16 0 "[ . 1 . ]" 1
733 1 45 THR MG 1 48 GLU QB 5.810 . 5.810 5.176 4.415 6.008 0.198 3 0 "[ . 1 . ]" 1
734 1 46 ALA HA 1 49 SER QB 3.900 . 3.900 3.025 2.436 3.913 0.013 3 0 "[ . 1 . ]" 1
735 1 47 LEU H 1 48 GLU QB 5.390 . 5.390 4.780 4.282 4.996 . 0 0 "[ . 1 . ]" 1
736 1 48 GLU H 1 48 GLU QB 3.310 . 3.310 2.471 2.153 2.709 . 0 0 "[ . 1 . ]" 1
737 1 48 GLU H 1 48 GLU QG 3.630 . 3.630 2.483 2.071 3.959 0.329 2 0 "[ . 1 . ]" 1
738 1 48 GLU HA 1 48 GLU QG 3.440 . 3.440 3.061 2.457 3.394 . 0 0 "[ . 1 . ]" 1
739 1 48 GLU HA 1 51 PHE QB 5.810 . 5.810 3.203 2.178 4.570 . 0 0 "[ . 1 . ]" 1
740 1 48 GLU QB 1 49 SER H 3.700 . 3.700 2.876 2.234 3.631 . 0 0 "[ . 1 . ]" 1
741 1 48 GLU QB 1 50 ALA H 5.010 . 5.010 4.830 4.486 5.117 0.107 3 0 "[ . 1 . ]" 1
742 1 48 GLU QG 1 49 SER H 4.620 . 4.620 3.547 2.261 4.344 . 0 0 "[ . 1 . ]" 1
743 1 49 SER H 1 49 SER QB 3.400 . 3.400 2.364 2.259 2.626 . 0 0 "[ . 1 . ]" 1
744 1 49 SER QB 1 50 ALA H 3.930 . 3.930 2.797 2.342 3.493 . 0 0 "[ . 1 . ]" 1
745 1 49 SER QB 1 50 ALA HA 5.810 . 5.810 4.200 3.970 4.458 . 0 0 "[ . 1 . ]" 1
746 1 49 SER QB 1 51 PHE H 5.370 . 5.370 4.973 4.510 5.331 . 0 0 "[ . 1 . ]" 1
747 1 50 ALA H 1 51 PHE QB 5.130 . 5.130 4.503 4.103 4.769 . 0 0 "[ . 1 . ]" 1
748 1 50 ALA MB 1 51 PHE QB 5.540 . 5.540 3.818 3.350 4.261 . 0 0 "[ . 1 . ]" 1
749 1 51 PHE H 1 51 PHE QB 3.250 . 3.250 2.342 2.209 2.467 . 0 0 "[ . 1 . ]" 1
750 1 51 PHE HA 1 55 GLN QE 4.830 . 4.830 3.581 1.955 4.580 . 0 0 "[ . 1 . ]" 1
751 1 51 PHE QB 1 52 ALA H 3.860 . 3.860 2.965 2.563 3.235 . 0 0 "[ . 1 . ]" 1
752 1 51 PHE QB 1 53 ASP H 5.810 . 5.810 4.489 2.513 5.128 . 0 0 "[ . 1 . ]" 1
753 1 51 PHE QB 1 55 GLN QE 3.820 . 3.820 3.178 1.975 4.016 0.196 4 0 "[ . 1 . ]" 1
754 1 53 ASP H 1 53 ASP QB 3.290 . 3.290 2.375 2.166 2.868 . 0 0 "[ . 1 . ]" 1
755 1 55 GLN QB 1 56 THR H 4.400 . 4.400 3.562 2.518 4.120 . 0 0 "[ . 1 . ]" 1
756 1 55 GLN QB 1 57 TYR H 5.810 . 5.810 4.969 3.495 5.805 . 0 0 "[ . 1 . ]" 1
757 1 56 THR H 1 57 TYR QB 5.810 . 5.810 4.799 3.904 5.537 . 0 0 "[ . 1 . ]" 1
758 1 57 TYR H 1 57 TYR QB 3.520 . 3.520 2.555 2.189 3.012 . 0 0 "[ . 1 . ]" 1
759 1 59 PRO HA 1 60 GLU QB 4.820 . 4.820 4.402 4.006 5.079 0.259 7 0 "[ . 1 . ]" 1
760 1 60 GLU H 1 60 GLU QG 3.900 . 3.900 3.214 2.004 4.081 0.181 16 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 27
_Distance_constraint_stats_list.Viol_count 30
_Distance_constraint_stats_list.Viol_total 16.078
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0091
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0298
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 4 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 6 LEU 0.000 0.000 6 0 "[ . 1 . ]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 8 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 9 VAL 0.117 0.077 10 0 "[ . 1 . ]"
1 10 VAL 0.000 0.000 6 0 "[ . 1 . ]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 13 ILE 0.117 0.077 10 0 "[ . 1 . ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 16 LEU 0.012 0.012 9 0 "[ . 1 . ]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 19 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 20 ALA 0.012 0.012 9 0 "[ . 1 . ]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 23 GLN 0.042 0.042 18 0 "[ . 1 . ]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 27 TYR 0.042 0.042 18 0 "[ . 1 . ]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 29 VAL 0.107 0.048 13 0 "[ . 1 . ]"
1 30 LYS 0.011 0.011 16 0 "[ . 1 . ]"
1 31 ALA 0.237 0.099 16 0 "[ . 1 . ]"
1 33 ASN 0.121 0.048 13 0 "[ . 1 . ]"
1 34 SER 0.011 0.011 16 0 "[ . 1 . ]"
1 35 ALA 0.237 0.099 16 0 "[ . 1 . ]"
1 36 ALA 0.012 0.012 2 0 "[ . 1 . ]"
1 37 SER 0.029 0.015 7 0 "[ . 1 . ]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 40 LEU 0.012 0.012 2 0 "[ . 1 . ]"
1 41 ARG 0.015 0.015 7 0 "[ . 1 . ]"
1 42 ASN 0.262 0.056 11 0 "[ . 1 . ]"
1 46 ALA 0.326 0.056 11 0 "[ . 1 . ]"
1 50 ALA 0.064 0.044 10 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 GLU O 1 9 VAL N 2.800 2.800 3.300 3.010 2.902 3.148 . 0 0 "[ . 1 . ]" 2
2 1 6 LEU O 1 10 VAL N 2.800 2.800 3.300 3.065 2.935 3.300 0.000 6 0 "[ . 1 . ]" 2
3 1 8 ILE O 1 12 ILE N 2.800 2.800 3.300 2.947 2.847 3.074 . 0 0 "[ . 1 . ]" 2
4 1 9 VAL O 1 13 ILE N 2.800 2.800 3.300 3.203 3.053 3.377 0.077 10 0 "[ . 1 . ]" 2
5 1 10 VAL O 1 14 GLY N 2.800 2.800 3.300 3.002 2.881 3.181 . 0 0 "[ . 1 . ]" 2
6 1 11 ALA O 1 15 ILE N 2.800 2.800 3.300 3.082 2.925 3.255 . 0 0 "[ . 1 . ]" 2
7 1 12 ILE O 1 16 LEU N 2.800 2.800 3.300 3.052 2.899 3.270 . 0 0 "[ . 1 . ]" 2
8 1 13 ILE O 1 17 ALA N 2.800 2.800 3.300 3.006 2.870 3.151 . 0 0 "[ . 1 . ]" 2
9 1 14 GLY O 1 18 ALA N 2.800 2.800 3.300 3.115 2.972 3.297 . 0 0 "[ . 1 . ]" 2
10 1 15 ILE O 1 19 ILE N 2.800 2.800 3.300 3.007 2.838 3.160 . 0 0 "[ . 1 . ]" 2
11 1 16 LEU O 1 20 ALA N 2.800 2.800 3.300 3.123 2.943 3.312 0.012 9 0 "[ . 1 . ]" 2
12 1 21 ILE O 1 25 SER N 2.800 2.800 3.300 2.933 2.857 3.050 . 0 0 "[ . 1 . ]" 2
13 1 23 GLN O 1 27 TYR N 2.800 2.800 3.300 3.089 2.887 3.342 0.042 18 0 "[ . 1 . ]" 2
14 1 24 PHE O 1 28 ARG N 2.800 2.800 3.300 3.051 2.913 3.231 . 0 0 "[ . 1 . ]" 2
15 1 26 ALA O 1 30 LYS N 2.800 2.800 3.300 3.022 2.860 3.158 . 0 0 "[ . 1 . ]" 2
16 1 29 VAL O 1 33 ASN N 2.800 2.800 3.300 3.013 2.752 3.320 0.048 13 0 "[ . 1 . ]" 2
17 1 30 LYS O 1 34 SER N 2.800 2.800 3.300 2.912 2.821 3.311 0.011 16 0 "[ . 1 . ]" 2
18 1 31 ALA O 1 35 ALA N 2.800 2.800 3.300 3.152 2.955 3.399 0.099 16 0 "[ . 1 . ]" 2
19 1 33 ASN O 1 37 SER N 2.800 2.800 3.300 3.037 2.902 3.314 0.014 11 0 "[ . 1 . ]" 2
20 1 34 SER O 1 38 SER N 2.800 2.800 3.300 3.028 2.899 3.260 . 0 0 "[ . 1 . ]" 2
21 1 36 ALA O 1 40 LEU N 2.800 2.800 3.300 3.065 2.915 3.312 0.012 2 0 "[ . 1 . ]" 2
22 1 37 SER O 1 41 ARG N 2.800 2.800 3.300 2.997 2.837 3.315 0.015 7 0 "[ . 1 . ]" 2
23 1 42 ASN O 1 46 ALA N 2.800 2.800 3.300 3.228 2.962 3.356 0.056 11 0 "[ . 1 . ]" 2
24 1 46 ALA O 1 50 ALA N 2.800 2.800 3.300 3.065 2.870 3.344 0.044 10 0 "[ . 1 . ]" 2
25 1 4 ILE O 1 8 ILE N 2.800 2.800 3.300 3.032 2.946 3.184 . 0 0 "[ . 1 . ]" 2
26 1 17 ALA O 1 21 ILE N 2.800 2.800 3.300 3.074 3.010 3.161 . 0 0 "[ . 1 . ]" 2
27 1 7 LEU O 1 11 ALA N 2.800 2.800 3.300 3.013 2.877 3.243 . 0 0 "[ . 1 . ]" 2
stop_
save_
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