NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
429856 |
2jn7   |
15088 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jn7
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 831
_Distance_constraint_stats_list.Viol_count 482
_Distance_constraint_stats_list.Viol_total 570.708
_Distance_constraint_stats_list.Viol_max 0.654
_Distance_constraint_stats_list.Viol_rms 0.0360
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.1184
_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 4 THR 0.323 0.099 9 0 "[ . 1]"
1 5 THR 0.001 0.001 6 0 "[ . 1]"
1 6 TRP 1.661 0.226 9 0 "[ . 1]"
1 7 GLY 0.272 0.117 10 0 "[ . 1]"
1 8 LEU 2.226 0.327 5 0 "[ . 1]"
1 9 GLN 0.000 0.000 . 0 "[ . 1]"
1 10 ARG 0.061 0.061 2 0 "[ . 1]"
1 11 ASP 0.000 0.000 . 0 "[ . 1]"
1 12 ILE 0.381 0.106 7 0 "[ . 1]"
1 13 THR 0.034 0.034 1 0 "[ . 1]"
1 14 PRO 0.106 0.106 7 0 "[ . 1]"
1 15 ARG 0.641 0.254 4 0 "[ . 1]"
1 16 LEU 2.992 0.355 7 0 "[ . 1]"
1 17 GLY 0.130 0.067 5 0 "[ . 1]"
1 18 ALA 1.699 0.335 8 0 "[ . 1]"
1 19 ARG 1.260 0.226 9 0 "[ . 1]"
1 20 LEU 4.004 0.354 1 0 "[ . 1]"
1 21 VAL 2.879 0.259 2 0 "[ . 1]"
1 22 GLN 3.645 0.354 1 0 "[ . 1]"
1 23 GLU 0.346 0.226 8 0 "[ . 1]"
1 24 GLY 2.392 0.337 9 0 "[ . 1]"
1 25 ASN 2.392 0.337 9 0 "[ . 1]"
1 26 GLN 0.436 0.226 8 0 "[ . 1]"
1 27 LEU 0.743 0.199 10 0 "[ . 1]"
1 28 HIS 1.829 0.259 2 0 "[ . 1]"
1 29 TYR 1.943 0.249 4 0 "[ . 1]"
1 30 LEU 0.279 0.148 10 0 "[ . 1]"
1 31 ALA 0.000 0.000 . 0 "[ . 1]"
1 32 ASP 0.000 0.000 . 0 "[ . 1]"
1 33 ARG 0.015 0.015 10 0 "[ . 1]"
1 34 ALA 1.570 0.249 4 0 "[ . 1]"
1 35 SER 1.069 0.285 9 0 "[ . 1]"
1 36 ILE 4.735 0.355 7 0 "[ . 1]"
1 37 THR 1.664 0.288 7 0 "[ . 1]"
1 38 GLY 0.000 0.000 . 0 "[ . 1]"
1 39 LYS 1.174 0.198 3 0 "[ . 1]"
1 40 PHE 1.918 0.258 8 0 "[ . 1]"
1 41 SER 1.174 0.198 3 0 "[ . 1]"
1 42 ASP 0.000 0.000 . 0 "[ . 1]"
1 43 ALA 0.000 0.000 . 0 "[ . 1]"
1 44 GLU 0.000 0.000 . 0 "[ . 1]"
1 45 CYS 0.000 0.000 . 0 "[ . 1]"
1 46 PRO 0.000 0.000 . 0 "[ . 1]"
1 47 LYS 0.000 0.000 . 0 "[ . 1]"
1 48 LEU 0.435 0.168 2 0 "[ . 1]"
1 49 ASP 0.000 0.000 . 0 "[ . 1]"
1 50 VAL 0.000 0.000 . 0 "[ . 1]"
1 51 VAL 0.722 0.175 4 0 "[ . 1]"
1 52 PHE 0.000 0.000 . 0 "[ . 1]"
1 53 PRO 0.000 0.000 . 0 "[ . 1]"
1 54 HIS 0.000 0.000 . 0 "[ . 1]"
1 55 PHE 0.901 0.205 3 0 "[ . 1]"
1 56 ILE 1.049 0.222 2 0 "[ . 1]"
1 57 SER 0.000 0.000 . 0 "[ . 1]"
1 58 GLN 0.887 0.198 7 0 "[ . 1]"
1 59 ILE 1.729 0.222 2 0 "[ . 1]"
1 60 GLU 0.133 0.058 1 0 "[ . 1]"
1 61 SER 0.948 0.654 1 1 "[+ . 1]"
1 62 MET 2.241 0.383 4 0 "[ . 1]"
1 63 LEU 3.946 0.654 1 1 "[+ . 1]"
1 64 THR 2.509 0.318 5 0 "[ . 1]"
1 65 THR 2.197 0.293 1 0 "[ . 1]"
1 66 GLY 0.734 0.229 1 0 "[ . 1]"
1 67 GLU 1.709 0.544 3 1 "[ + . 1]"
1 68 LEU 4.247 0.544 3 1 "[ + . 1]"
1 69 ASN 1.110 0.328 10 0 "[ . 1]"
1 70 PRO 3.562 0.368 5 0 "[ . 1]"
1 71 ARG 1.543 0.290 4 0 "[ . 1]"
1 72 HIS 3.030 0.328 10 0 "[ . 1]"
1 73 ALA 0.000 0.000 . 0 "[ . 1]"
1 74 GLN 0.104 0.057 2 0 "[ . 1]"
1 75 CYS 0.000 0.000 . 0 "[ . 1]"
1 76 VAL 0.133 0.094 9 0 "[ . 1]"
1 77 THR 1.025 0.171 5 0 "[ . 1]"
1 78 LEU 1.269 0.188 7 0 "[ . 1]"
1 79 TYR 0.183 0.183 2 0 "[ . 1]"
1 80 HIS 0.658 0.343 8 0 "[ . 1]"
1 81 ASN 0.434 0.343 8 0 "[ . 1]"
1 82 GLY 0.046 0.046 5 0 "[ . 1]"
1 83 PHE 1.443 0.175 4 0 "[ . 1]"
1 84 THR 2.390 0.443 9 0 "[ . 1]"
1 85 CYS 0.982 0.188 7 0 "[ . 1]"
1 86 GLU 1.529 0.171 5 0 "[ . 1]"
1 87 ALA 0.000 0.000 . 0 "[ . 1]"
1 88 ASP 1.168 0.231 2 0 "[ . 1]"
1 89 THR 2.624 0.275 9 0 "[ . 1]"
1 90 LEU 1.686 0.248 2 0 "[ . 1]"
1 91 GLY 0.967 0.188 5 0 "[ . 1]"
1 92 SER 0.286 0.237 2 0 "[ . 1]"
1 93 CYS 1.516 0.347 8 0 "[ . 1]"
1 94 GLY 0.347 0.181 6 0 "[ . 1]"
1 95 TYR 1.895 0.276 5 0 "[ . 1]"
1 96 VAL 2.930 0.276 5 0 "[ . 1]"
1 97 TYR 2.930 0.327 5 0 "[ . 1]"
1 98 ILE 0.366 0.178 2 0 "[ . 1]"
1 99 ALA 0.308 0.131 9 0 "[ . 1]"
1 100 VAL 2.724 0.443 9 0 "[ . 1]"
1 101 TYR 1.308 0.289 6 0 "[ . 1]"
1 102 PRO 0.283 0.120 3 0 "[ . 1]"
1 103 THR 2.157 0.208 6 0 "[ . 1]"
1 104 GLN 0.000 0.000 . 0 "[ . 1]"
1 105 ARG 0.000 0.000 . 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 4 THR MG 1 5 THR H 4.910 . 4.910 3.455 2.737 4.301 . 0 0 "[ . 1]" 1
2 1 4 THR MG 1 6 TRP HD1 5.630 . 5.630 5.014 3.474 5.729 0.099 9 0 "[ . 1]" 1
3 1 5 THR H 1 5 THR MG 4.710 . 4.710 3.246 1.799 3.980 0.001 6 0 "[ . 1]" 1
4 1 5 THR H 1 6 TRP H 5.440 . 5.440 4.280 4.184 4.471 . 0 0 "[ . 1]" 1
5 1 5 THR HB 1 6 TRP H 4.640 . 4.640 3.942 3.293 4.244 . 0 0 "[ . 1]" 1
6 1 5 THR MG 1 6 TRP H 5.140 . 5.140 3.451 2.715 4.299 . 0 0 "[ . 1]" 1
7 1 6 TRP H 1 6 TRP HD1 4.300 . 4.300 3.046 2.182 4.285 . 0 0 "[ . 1]" 1
8 1 6 TRP H 1 7 GLY H 5.880 . 5.880 3.908 3.139 4.607 . 0 0 "[ . 1]" 1
9 1 6 TRP H 1 34 ALA HA 6.000 . 6.000 5.484 4.843 6.071 0.071 8 0 "[ . 1]" 1
10 1 6 TRP QB 1 6 TRP HZ3 5.520 . 5.520 4.893 4.708 5.065 . 0 0 "[ . 1]" 1
11 1 6 TRP QB 1 18 ALA MB 5.810 . 5.810 5.504 4.938 5.904 0.094 1 0 "[ . 1]" 1
12 1 6 TRP QB 1 19 ARG H 5.050 . 5.050 4.354 3.347 4.998 . 0 0 "[ . 1]" 1
13 1 6 TRP QB 1 19 ARG QD 5.810 . 5.810 4.985 3.624 6.036 0.226 9 0 "[ . 1]" 1
14 1 6 TRP QB 1 34 ALA HA 5.610 . 5.610 3.315 2.173 4.050 . 0 0 "[ . 1]" 1
15 1 6 TRP QB 1 35 SER H 5.120 . 5.120 4.471 1.983 5.246 0.126 9 0 "[ . 1]" 1
16 1 6 TRP HB2 1 7 GLY H 5.710 . 5.710 3.136 1.859 4.274 . 0 0 "[ . 1]" 1
17 1 6 TRP HB2 1 18 ALA HA 5.500 . 5.500 5.218 4.701 5.523 0.023 1 0 "[ . 1]" 1
18 1 6 TRP HB2 1 19 ARG H 5.750 . 5.750 5.301 4.437 5.812 0.062 8 0 "[ . 1]" 1
19 1 6 TRP HB3 1 7 GLY H 5.710 . 5.710 3.071 2.522 4.477 . 0 0 "[ . 1]" 1
20 1 6 TRP HB3 1 18 ALA HA 5.500 . 5.500 5.218 4.191 5.693 0.193 1 0 "[ . 1]" 1
21 1 6 TRP HB3 1 19 ARG H 5.750 . 5.750 4.663 3.463 5.482 . 0 0 "[ . 1]" 1
22 1 6 TRP HE1 1 33 ARG HA 5.750 . 5.750 4.792 4.061 5.765 0.015 10 0 "[ . 1]" 1
23 1 6 TRP HE3 1 33 ARG HA 5.600 . 5.600 4.432 3.203 5.527 . 0 0 "[ . 1]" 1
24 1 7 GLY H 1 8 LEU H 5.910 . 5.910 4.419 4.090 4.581 . 0 0 "[ . 1]" 1
25 1 7 GLY H 1 17 GLY QA 5.810 . 5.810 4.584 3.194 5.819 0.009 3 0 "[ . 1]" 1
26 1 7 GLY H 1 18 ALA H 6.000 . 6.000 5.624 4.759 6.049 0.049 3 0 "[ . 1]" 1
27 1 7 GLY H 1 19 ARG QB 6.000 . 6.000 4.968 3.356 6.025 0.025 8 0 "[ . 1]" 1
28 1 7 GLY H 1 19 ARG QD 6.000 . 6.000 4.907 3.322 6.117 0.117 10 0 "[ . 1]" 1
29 1 7 GLY QA 1 17 GLY QA 4.940 . 4.940 2.823 2.390 3.374 . 0 0 "[ . 1]" 1
30 1 7 GLY QA 1 18 ALA H 4.730 . 4.730 3.622 3.209 4.071 . 0 0 "[ . 1]" 1
31 1 7 GLY QA 1 18 ALA MB 5.810 . 5.810 5.067 4.276 5.768 . 0 0 "[ . 1]" 1
32 1 7 GLY HA2 1 18 ALA H 5.390 . 5.390 4.296 3.616 5.025 . 0 0 "[ . 1]" 1
33 1 7 GLY HA3 1 18 ALA H 5.390 . 5.390 4.084 3.465 5.129 . 0 0 "[ . 1]" 1
34 1 8 LEU H 1 8 LEU QD 4.970 . 4.970 2.524 1.835 3.616 . 0 0 "[ . 1]" 1
35 1 8 LEU H 1 9 GLN H 6.000 . 6.000 4.618 4.589 4.640 . 0 0 "[ . 1]" 1
36 1 8 LEU H 1 17 GLY QA 5.810 . 5.810 3.727 2.380 4.547 . 0 0 "[ . 1]" 1
37 1 8 LEU H 1 18 ALA H 5.730 . 5.730 4.689 3.166 5.971 0.241 10 0 "[ . 1]" 1
38 1 8 LEU QB 1 9 GLN H 5.210 . 5.210 2.820 2.550 3.274 . 0 0 "[ . 1]" 1
39 1 8 LEU QB 1 97 TYR HB2 5.950 . 5.950 6.061 5.369 6.277 0.327 5 0 "[ . 1]" 1
40 1 8 LEU QB 1 97 TYR HB3 5.950 . 5.950 5.346 4.992 6.008 0.058 2 0 "[ . 1]" 1
41 1 8 LEU QD 1 9 GLN H 5.290 . 5.290 3.425 2.759 3.994 . 0 0 "[ . 1]" 1
42 1 8 LEU QD 1 97 TYR HB2 5.350 . 5.350 3.505 2.838 5.394 0.044 2 0 "[ . 1]" 1
43 1 8 LEU QD 1 97 TYR HB3 5.350 . 5.350 2.901 2.426 5.474 0.124 2 0 "[ . 1]" 1
44 1 8 LEU QD 1 97 TYR QD 4.050 . 4.050 3.021 2.276 3.907 . 0 0 "[ . 1]" 1
45 1 9 GLN H 1 9 GLN QG 4.970 . 4.970 3.178 1.868 4.021 . 0 0 "[ . 1]" 1
46 1 9 GLN H 1 10 ARG H 6.000 . 6.000 4.404 4.114 4.568 . 0 0 "[ . 1]" 1
47 1 9 GLN QB 1 10 ARG H 4.870 . 4.870 3.556 3.202 4.042 . 0 0 "[ . 1]" 1
48 1 9 GLN QG 1 10 ARG H 5.460 . 5.460 3.943 2.672 4.406 . 0 0 "[ . 1]" 1
49 1 10 ARG H 1 10 ARG QD 6.000 . 6.000 3.980 1.980 4.549 . 0 0 "[ . 1]" 1
50 1 10 ARG H 1 10 ARG QG 4.620 . 4.620 2.865 2.291 3.188 . 0 0 "[ . 1]" 1
51 1 10 ARG H 1 11 ASP H 6.000 . 6.000 4.311 4.249 4.360 . 0 0 "[ . 1]" 1
52 1 10 ARG QB 1 12 ILE H 4.900 . 4.900 3.041 2.523 3.831 . 0 0 "[ . 1]" 1
53 1 10 ARG QB 1 12 ILE MD 5.380 . 5.380 3.693 2.683 5.441 0.061 2 0 "[ . 1]" 1
54 1 10 ARG QB 1 12 ILE QG 5.190 . 5.190 3.133 2.232 5.190 0.000 2 0 "[ . 1]" 1
55 1 10 ARG QD 1 12 ILE MD 6.000 . 6.000 3.933 3.377 4.883 . 0 0 "[ . 1]" 1
56 1 10 ARG QG 1 11 ASP H 5.860 . 5.860 3.940 2.755 4.620 . 0 0 "[ . 1]" 1
57 1 10 ARG QG 1 12 ILE H 5.310 . 5.310 4.281 2.333 5.091 . 0 0 "[ . 1]" 1
58 1 10 ARG QG 1 12 ILE MD 5.580 . 5.580 4.310 3.139 5.209 . 0 0 "[ . 1]" 1
59 1 11 ASP H 1 12 ILE H 5.030 . 5.030 2.595 2.067 3.086 . 0 0 "[ . 1]" 1
60 1 11 ASP HB2 1 12 ILE H 5.650 . 5.650 3.597 2.295 4.396 . 0 0 "[ . 1]" 1
61 1 11 ASP HB3 1 12 ILE H 5.650 . 5.650 3.282 2.335 4.486 . 0 0 "[ . 1]" 1
62 1 12 ILE H 1 12 ILE HB 4.110 . 4.110 3.115 2.450 3.623 . 0 0 "[ . 1]" 1
63 1 12 ILE H 1 12 ILE MD 5.850 . 5.850 3.407 1.796 3.689 0.004 5 0 "[ . 1]" 1
64 1 12 ILE H 1 12 ILE QG 4.550 . 4.550 2.015 1.765 2.447 0.035 1 0 "[ . 1]" 1
65 1 12 ILE H 1 12 ILE MG 4.710 . 4.710 3.169 2.273 3.803 . 0 0 "[ . 1]" 1
66 1 12 ILE H 1 13 THR H 5.620 . 5.620 4.555 4.459 4.601 . 0 0 "[ . 1]" 1
67 1 12 ILE H 1 15 ARG QB 6.000 . 6.000 5.225 4.170 5.865 . 0 0 "[ . 1]" 1
68 1 12 ILE H 1 15 ARG QD 6.000 . 6.000 5.519 4.807 6.077 0.077 2 0 "[ . 1]" 1
69 1 12 ILE HA 1 13 THR H 3.530 . 3.530 2.217 2.118 2.792 . 0 0 "[ . 1]" 1
70 1 12 ILE MD 1 13 THR H 6.000 . 6.000 5.043 4.383 5.242 . 0 0 "[ . 1]" 1
71 1 12 ILE MG 1 13 THR H 4.250 . 4.250 3.144 1.766 3.854 0.034 1 0 "[ . 1]" 1
72 1 12 ILE MG 1 14 PRO QB 5.810 . 5.810 4.065 2.163 5.916 0.106 7 0 "[ . 1]" 1
73 1 12 ILE MG 1 15 ARG QB 5.830 . 5.830 4.221 2.864 5.797 . 0 0 "[ . 1]" 1
74 1 14 PRO QD 1 15 ARG QB 5.810 . 5.810 4.863 4.377 5.255 . 0 0 "[ . 1]" 1
75 1 15 ARG H 1 16 LEU H 6.000 . 6.000 4.046 2.496 4.550 . 0 0 "[ . 1]" 1
76 1 15 ARG H 1 16 LEU QB 5.810 . 5.810 5.069 4.072 5.539 . 0 0 "[ . 1]" 1
77 1 15 ARG H 1 37 THR HB 5.970 . 5.970 5.553 4.335 6.224 0.254 4 0 "[ . 1]" 1
78 1 15 ARG H 1 37 THR MG 5.530 . 5.530 4.157 3.262 5.013 . 0 0 "[ . 1]" 1
79 1 15 ARG QB 1 16 LEU H 4.790 . 4.790 3.310 2.677 3.958 . 0 0 "[ . 1]" 1
80 1 16 LEU H 1 17 GLY H 6.000 . 6.000 4.360 4.180 4.674 . 0 0 "[ . 1]" 1
81 1 16 LEU H 1 99 ALA MB 5.900 . 5.900 3.872 2.951 4.758 . 0 0 "[ . 1]" 1
82 1 16 LEU H 1 100 VAL MG1 6.000 . 6.000 5.355 4.010 6.312 0.312 6 0 "[ . 1]" 1
83 1 16 LEU H 1 101 TYR QB 5.810 . 5.810 4.349 3.124 5.645 . 0 0 "[ . 1]" 1
84 1 16 LEU QB 1 18 ALA MB 5.810 . 5.810 4.959 4.073 5.852 0.042 1 0 "[ . 1]" 1
85 1 16 LEU QB 1 36 ILE MG 5.810 . 5.810 5.835 5.175 6.165 0.355 7 0 "[ . 1]" 1
86 1 16 LEU QB 1 37 THR H 4.900 . 4.900 4.417 3.603 4.802 . 0 0 "[ . 1]" 1
87 1 16 LEU QB 1 37 THR HB 5.810 . 5.810 4.058 2.358 4.867 . 0 0 "[ . 1]" 1
88 1 16 LEU QB 1 100 VAL H 5.200 . 5.200 3.970 3.103 5.382 0.182 8 0 "[ . 1]" 1
89 1 16 LEU QB 1 100 VAL QG 4.680 . 4.680 3.653 2.251 4.495 . 0 0 "[ . 1]" 1
90 1 16 LEU QB 1 101 TYR HA 5.810 . 5.810 4.736 3.997 6.099 0.289 6 0 "[ . 1]" 1
91 1 16 LEU QD 1 17 GLY H 4.790 . 4.790 2.999 2.034 3.699 . 0 0 "[ . 1]" 1
92 1 16 LEU QD 1 17 GLY QA 5.720 . 5.720 3.417 3.029 3.764 . 0 0 "[ . 1]" 1
93 1 16 LEU QD 1 18 ALA MB 4.940 . 4.940 3.022 2.500 3.665 . 0 0 "[ . 1]" 1
94 1 16 LEU QD 1 34 ALA MB 4.450 . 4.450 3.156 2.250 3.888 . 0 0 "[ . 1]" 1
95 1 16 LEU QD 1 35 SER H 5.270 . 5.270 3.405 1.843 4.181 . 0 0 "[ . 1]" 1
96 1 16 LEU QD 1 36 ILE H 5.920 . 5.920 4.431 3.956 5.225 . 0 0 "[ . 1]" 1
97 1 16 LEU QD 1 36 ILE QG 5.230 . 5.230 4.510 3.797 5.208 . 0 0 "[ . 1]" 1
98 1 16 LEU QD 1 100 VAL HB 5.390 . 5.390 3.728 2.565 4.909 . 0 0 "[ . 1]" 1
99 1 16 LEU QD 1 100 VAL QG 4.780 . 4.780 2.578 1.949 3.829 . 0 0 "[ . 1]" 1
100 1 16 LEU QD 1 101 TYR H 5.920 . 5.920 5.494 4.412 6.021 0.101 2 0 "[ . 1]" 1
101 1 16 LEU QD 1 101 TYR QB 5.730 . 5.730 5.178 3.569 5.970 0.240 7 0 "[ . 1]" 1
102 1 16 LEU MD1 1 17 GLY H 5.820 . 5.820 3.751 2.037 4.839 . 0 0 "[ . 1]" 1
103 1 16 LEU MD1 1 34 ALA MB 5.580 . 5.580 3.678 2.274 4.201 . 0 0 "[ . 1]" 1
104 1 16 LEU MD1 1 35 SER H 6.000 . 6.000 3.776 1.872 4.529 . 0 0 "[ . 1]" 1
105 1 16 LEU MD1 1 100 VAL H 6.000 . 6.000 4.619 1.855 5.708 . 0 0 "[ . 1]" 1
106 1 16 LEU MD2 1 17 GLY H 5.820 . 5.820 3.837 2.312 5.063 . 0 0 "[ . 1]" 1
107 1 16 LEU MD2 1 34 ALA MB 5.580 . 5.580 3.670 2.715 5.435 . 0 0 "[ . 1]" 1
108 1 16 LEU MD2 1 35 SER H 6.000 . 6.000 4.291 2.346 5.181 . 0 0 "[ . 1]" 1
109 1 16 LEU MD2 1 100 VAL H 6.000 . 6.000 3.585 2.662 4.456 . 0 0 "[ . 1]" 1
110 1 17 GLY H 1 18 ALA H 6.000 . 6.000 4.526 4.338 4.617 . 0 0 "[ . 1]" 1
111 1 17 GLY H 1 18 ALA MB 6.000 . 6.000 4.764 4.557 4.891 . 0 0 "[ . 1]" 1
112 1 17 GLY H 1 34 ALA MB 5.740 . 5.740 5.197 4.458 5.807 0.067 5 0 "[ . 1]" 1
113 1 17 GLY QA 1 34 ALA MB 5.810 . 5.810 5.198 4.452 5.719 . 0 0 "[ . 1]" 1
114 1 17 GLY QA 1 99 ALA HA 4.810 . 4.810 3.367 2.613 4.750 . 0 0 "[ . 1]" 1
115 1 17 GLY QA 1 99 ALA MB 5.130 . 5.130 3.041 2.527 4.108 . 0 0 "[ . 1]" 1
116 1 17 GLY HA2 1 99 ALA HA 5.570 . 5.570 3.420 2.637 4.894 . 0 0 "[ . 1]" 1
117 1 17 GLY HA2 1 99 ALA MB 6.000 . 6.000 3.101 2.562 4.217 . 0 0 "[ . 1]" 1
118 1 17 GLY HA3 1 99 ALA MB 6.000 . 6.000 4.417 3.605 5.671 . 0 0 "[ . 1]" 1
119 1 18 ALA H 1 19 ARG H 6.000 . 6.000 3.204 2.507 4.268 . 0 0 "[ . 1]" 1
120 1 18 ALA H 1 19 ARG QB 6.000 . 6.000 4.441 3.702 5.795 . 0 0 "[ . 1]" 1
121 1 18 ALA H 1 98 ILE H 5.350 . 5.350 4.008 3.579 4.539 . 0 0 "[ . 1]" 1
122 1 18 ALA H 1 98 ILE QG . . 4.700 4.136 3.345 4.878 0.178 2 0 "[ . 1]" 1
123 1 18 ALA H 1 99 ALA HA 5.990 . 5.990 4.156 3.666 4.795 . 0 0 "[ . 1]" 1
124 1 18 ALA MB 1 19 ARG H 4.520 . 4.520 3.540 2.762 3.745 . 0 0 "[ . 1]" 1
125 1 18 ALA MB 1 20 LEU H 5.690 . 5.690 5.028 4.720 5.246 . 0 0 "[ . 1]" 1
126 1 18 ALA MB 1 20 LEU HA 6.000 . 6.000 5.546 5.264 5.773 . 0 0 "[ . 1]" 1
127 1 18 ALA MB 1 20 LEU QD 4.590 . 4.590 3.107 2.519 3.676 . 0 0 "[ . 1]" 1
128 1 18 ALA MB 1 29 TYR QD 5.520 . 5.520 3.939 3.172 4.663 . 0 0 "[ . 1]" 1
129 1 18 ALA MB 1 29 TYR QE 4.850 . 4.850 2.772 2.329 3.687 . 0 0 "[ . 1]" 1
130 1 18 ALA MB 1 35 SER H 6.000 . 6.000 5.144 4.194 6.044 0.044 10 0 "[ . 1]" 1
131 1 18 ALA MB 1 98 ILE MD 4.110 . 4.110 3.308 2.658 4.031 . 0 0 "[ . 1]" 1
132 1 18 ALA MB 1 98 ILE QG 4.660 . 4.660 2.577 2.319 2.855 . 0 0 "[ . 1]" 1
133 1 18 ALA MB 1 100 VAL HB 5.520 . 5.520 5.190 4.487 5.855 0.335 8 0 "[ . 1]" 1
134 1 18 ALA MB 1 100 VAL QG 5.160 . 5.160 3.670 3.070 4.197 . 0 0 "[ . 1]" 1
135 1 19 ARG H 1 20 LEU H 6.000 . 6.000 4.474 4.259 4.564 . 0 0 "[ . 1]" 1
136 1 19 ARG H 1 20 LEU HA 5.380 . 5.380 5.335 4.814 5.484 0.104 3 0 "[ . 1]" 1
137 1 19 ARG H 1 20 LEU QD 5.830 . 5.830 4.254 3.591 4.667 . 0 0 "[ . 1]" 1
138 1 19 ARG H 1 98 ILE QG 5.810 . 5.810 5.116 4.391 5.866 0.056 2 0 "[ . 1]" 1
139 1 19 ARG HA 1 20 LEU QD 5.920 . 5.920 3.742 2.825 4.511 . 0 0 "[ . 1]" 1
140 1 20 LEU H 1 20 LEU MD1 5.530 . 5.530 3.724 2.457 4.133 . 0 0 "[ . 1]" 1
141 1 20 LEU H 1 20 LEU MD2 5.530 . 5.530 3.278 1.929 4.009 . 0 0 "[ . 1]" 1
142 1 20 LEU H 1 21 VAL H 6.000 . 6.000 4.496 4.289 4.589 . 0 0 "[ . 1]" 1
143 1 20 LEU H 1 96 VAL H 5.060 . 5.060 4.476 4.066 5.106 0.046 2 0 "[ . 1]" 1
144 1 20 LEU H 1 96 VAL QG 5.920 . 5.920 4.308 3.041 5.106 . 0 0 "[ . 1]" 1
145 1 20 LEU H 1 97 TYR HA 5.690 . 5.690 3.729 2.364 4.314 . 0 0 "[ . 1]" 1
146 1 20 LEU H 1 98 ILE H 6.000 . 6.000 4.447 3.692 5.420 . 0 0 "[ . 1]" 1
147 1 20 LEU H 1 98 ILE MG 6.000 . 6.000 4.965 4.251 5.890 . 0 0 "[ . 1]" 1
148 1 20 LEU HA 1 21 VAL HB 6.000 . 6.000 5.201 4.353 5.693 . 0 0 "[ . 1]" 1
149 1 20 LEU HA 1 21 VAL MG1 5.630 . 5.630 3.957 3.478 5.455 . 0 0 "[ . 1]" 1
150 1 20 LEU HA 1 21 VAL QG 5.570 . 5.570 3.303 3.143 3.695 . 0 0 "[ . 1]" 1
151 1 20 LEU HA 1 28 HIS H 5.520 . 5.520 5.417 5.083 5.651 0.131 7 0 "[ . 1]" 1
152 1 20 LEU HA 1 30 LEU H 5.120 . 5.120 4.688 3.409 5.095 . 0 0 "[ . 1]" 1
153 1 20 LEU HB2 1 21 VAL H 5.020 . 5.020 3.787 2.699 4.204 . 0 0 "[ . 1]" 1
154 1 20 LEU HB2 1 21 VAL HA 6.000 . 6.000 4.910 4.634 5.244 . 0 0 "[ . 1]" 1
155 1 20 LEU HB2 1 96 VAL HB 5.430 . 5.430 4.373 3.077 5.442 0.012 9 0 "[ . 1]" 1
156 1 20 LEU HB2 1 98 ILE MD 6.000 . 6.000 4.318 2.617 5.718 . 0 0 "[ . 1]" 1
157 1 20 LEU HB3 1 21 VAL H 5.720 . 5.720 2.973 2.714 3.785 . 0 0 "[ . 1]" 1
158 1 20 LEU QD 1 21 VAL H 5.010 . 5.010 3.536 3.095 3.970 . 0 0 "[ . 1]" 1
159 1 20 LEU QD 1 21 VAL QG 5.660 . 5.660 4.073 3.540 4.424 . 0 0 "[ . 1]" 1
160 1 20 LEU QD 1 22 GLN H 5.920 . 5.920 6.084 4.951 6.274 0.354 1 0 "[ . 1]" 1
161 1 20 LEU QD 1 22 GLN HA 5.920 . 5.920 5.637 4.197 5.821 . 0 0 "[ . 1]" 1
162 1 20 LEU QD 1 28 HIS H 5.920 . 5.920 4.125 3.734 4.580 . 0 0 "[ . 1]" 1
163 1 20 LEU QD 1 28 HIS QB 5.730 . 5.730 4.463 4.038 5.228 . 0 0 "[ . 1]" 1
164 1 20 LEU QD 1 29 TYR H 5.100 . 5.100 4.175 3.702 5.057 . 0 0 "[ . 1]" 1
165 1 20 LEU QD 1 29 TYR HA 5.270 . 5.270 2.549 2.162 3.838 . 0 0 "[ . 1]" 1
166 1 20 LEU QD 1 29 TYR QB 4.630 . 4.630 2.927 2.316 3.859 . 0 0 "[ . 1]" 1
167 1 20 LEU QD 1 29 TYR QD 5.130 . 5.130 2.280 2.120 2.828 . 0 0 "[ . 1]" 1
168 1 20 LEU QD 1 30 LEU H 4.980 . 4.980 3.540 2.804 4.934 . 0 0 "[ . 1]" 1
169 1 20 LEU QD 1 56 ILE MD 4.810 . 4.810 3.957 2.830 4.870 0.060 7 0 "[ . 1]" 1
170 1 20 LEU QD 1 96 VAL H 5.920 . 5.920 5.342 3.865 5.911 . 0 0 "[ . 1]" 1
171 1 20 LEU QD 1 98 ILE H 5.920 . 5.920 4.356 2.785 5.245 . 0 0 "[ . 1]" 1
172 1 20 LEU QD 1 98 ILE MG 4.620 . 4.620 3.473 2.788 4.054 . 0 0 "[ . 1]" 1
173 1 20 LEU MD1 1 21 VAL H 6.000 . 6.000 4.507 3.162 5.016 . 0 0 "[ . 1]" 1
174 1 20 LEU MD1 1 29 TYR H 5.710 . 5.710 5.171 3.733 5.942 0.232 8 0 "[ . 1]" 1
175 1 20 LEU MD1 1 29 TYR HB2 5.710 . 5.710 3.732 2.349 4.393 . 0 0 "[ . 1]" 1
176 1 20 LEU MD1 1 29 TYR QB 5.810 . 5.810 3.647 2.327 4.271 . 0 0 "[ . 1]" 1
177 1 20 LEU MD1 1 29 TYR QD 4.720 . 4.720 3.155 2.240 4.269 . 0 0 "[ . 1]" 1
178 1 20 LEU MD1 1 30 LEU H 6.000 . 6.000 5.237 3.686 6.148 0.148 10 0 "[ . 1]" 1
179 1 20 LEU MD1 1 56 ILE MD 5.470 . 5.470 4.322 2.955 5.513 0.043 7 0 "[ . 1]" 1
180 1 20 LEU MD2 1 21 VAL H 6.000 . 6.000 3.892 3.453 4.949 . 0 0 "[ . 1]" 1
181 1 20 LEU MD2 1 30 LEU H 6.000 . 6.000 3.859 2.825 5.651 . 0 0 "[ . 1]" 1
182 1 20 LEU MD2 1 56 ILE MD 5.470 . 5.470 4.800 3.619 5.422 . 0 0 "[ . 1]" 1
183 1 21 VAL H 1 21 VAL QG 4.190 . 4.190 1.997 1.799 2.589 0.001 9 0 "[ . 1]" 1
184 1 21 VAL H 1 28 HIS H 5.060 . 5.060 4.069 3.863 4.398 . 0 0 "[ . 1]" 1
185 1 21 VAL H 1 28 HIS HB2 6.000 . 6.000 4.738 3.807 5.474 . 0 0 "[ . 1]" 1
186 1 21 VAL H 1 28 HIS QB 5.260 . 5.260 3.829 3.401 4.199 . 0 0 "[ . 1]" 1
187 1 21 VAL H 1 28 HIS HB3 6.000 . 6.000 4.464 3.452 5.825 . 0 0 "[ . 1]" 1
188 1 21 VAL HA 1 22 GLN QB 6.000 . 6.000 4.082 4.026 4.346 . 0 0 "[ . 1]" 1
189 1 21 VAL HA 1 95 TYR HA 5.200 . 5.200 4.065 3.039 4.550 . 0 0 "[ . 1]" 1
190 1 21 VAL HA 1 95 TYR QD 3.190 . 3.190 3.125 2.751 3.304 0.114 10 0 "[ . 1]" 1
191 1 21 VAL HA 1 95 TYR QE 4.280 . 4.280 3.833 3.100 4.259 . 0 0 "[ . 1]" 1
192 1 21 VAL HA 1 96 VAL H 5.870 . 5.870 4.529 3.692 5.001 . 0 0 "[ . 1]" 1
193 1 21 VAL HB 1 22 GLN H 5.520 . 5.520 3.517 3.045 4.189 . 0 0 "[ . 1]" 1
194 1 21 VAL HB 1 28 HIS H 6.000 . 6.000 5.689 5.222 6.126 0.126 3 0 "[ . 1]" 1
195 1 21 VAL HB 1 28 HIS HB2 6.000 . 6.000 5.530 4.433 6.217 0.217 9 0 "[ . 1]" 1
196 1 21 VAL HB 1 28 HIS QB 5.160 . 5.160 4.755 4.306 5.165 0.005 9 0 "[ . 1]" 1
197 1 21 VAL HB 1 28 HIS HB3 6.000 . 6.000 5.531 4.511 6.259 0.259 2 0 "[ . 1]" 1
198 1 21 VAL HB 1 95 TYR QD 4.990 . 4.990 4.808 4.570 5.072 0.082 5 0 "[ . 1]" 1
199 1 21 VAL HB 1 95 TYR QE 4.490 . 4.490 4.177 3.300 4.703 0.213 5 0 "[ . 1]" 1
200 1 21 VAL QG 1 22 GLN H 4.290 . 4.290 3.076 2.408 3.507 . 0 0 "[ . 1]" 1
201 1 21 VAL QG 1 28 HIS H 5.920 . 5.920 3.705 2.968 5.280 . 0 0 "[ . 1]" 1
202 1 21 VAL QG 1 28 HIS QB 4.790 . 4.790 2.799 2.123 4.589 . 0 0 "[ . 1]" 1
203 1 21 VAL QG 1 95 TYR QD 4.050 . 4.050 3.451 2.377 4.063 0.013 3 0 "[ . 1]" 1
204 1 21 VAL QG 1 95 TYR QE 3.580 . 3.580 3.048 2.099 3.632 0.052 7 0 "[ . 1]" 1
205 1 21 VAL QG 1 96 VAL QG 5.840 . 5.840 5.286 4.594 5.869 0.029 7 0 "[ . 1]" 1
206 1 21 VAL MG1 1 22 GLN H 5.230 . 5.230 3.589 2.427 3.933 . 0 0 "[ . 1]" 1
207 1 21 VAL MG1 1 95 TYR QD 5.580 . 5.580 3.969 3.087 5.622 0.042 3 0 "[ . 1]" 1
208 1 21 VAL MG1 1 95 TYR QE 4.730 . 4.730 3.569 2.349 4.924 0.194 6 0 "[ . 1]" 1
209 1 21 VAL MG2 1 22 GLN H 5.230 . 5.230 3.675 2.517 4.006 . 0 0 "[ . 1]" 1
210 1 22 GLN H 1 23 GLU H 5.970 . 5.970 4.542 4.351 4.600 . 0 0 "[ . 1]" 1
211 1 22 GLN H 1 27 LEU MD2 6.000 . 6.000 5.181 4.602 6.076 0.076 4 0 "[ . 1]" 1
212 1 22 GLN H 1 95 TYR HA 5.150 . 5.150 3.839 3.283 4.350 . 0 0 "[ . 1]" 1
213 1 22 GLN H 1 95 TYR QD 4.540 . 4.540 3.816 3.243 4.416 . 0 0 "[ . 1]" 1
214 1 22 GLN H 1 96 VAL QG 5.920 . 5.920 4.754 3.925 5.377 . 0 0 "[ . 1]" 1
215 1 22 GLN HA 1 27 LEU MD1 5.640 . 5.640 4.646 3.546 5.243 . 0 0 "[ . 1]" 1
216 1 22 GLN HA 1 27 LEU QD 4.740 . 4.740 3.148 2.680 4.098 . 0 0 "[ . 1]" 1
217 1 22 GLN HA 1 27 LEU MD2 5.640 . 5.640 3.485 2.690 4.643 . 0 0 "[ . 1]" 1
218 1 22 GLN QB 1 24 GLY H 6.000 . 6.000 5.502 4.701 5.923 . 0 0 "[ . 1]" 1
219 1 22 GLN QB 1 27 LEU MD1 5.690 . 5.690 5.327 4.344 5.745 0.055 7 0 "[ . 1]" 1
220 1 22 GLN QB 1 27 LEU QD 4.810 . 4.810 3.952 3.659 4.339 . 0 0 "[ . 1]" 1
221 1 22 GLN QB 1 27 LEU MD2 5.690 . 5.690 4.226 3.715 5.141 . 0 0 "[ . 1]" 1
222 1 22 GLN QB 1 95 TYR HA 6.000 . 6.000 3.707 2.959 4.594 . 0 0 "[ . 1]" 1
223 1 22 GLN QB 1 96 VAL H 6.000 . 6.000 4.703 3.969 5.517 . 0 0 "[ . 1]" 1
224 1 22 GLN QB 1 96 VAL HB 5.850 . 5.850 5.720 5.216 6.009 0.159 2 0 "[ . 1]" 1
225 1 22 GLN QB 1 96 VAL QG 4.810 . 4.810 3.658 2.959 4.491 . 0 0 "[ . 1]" 1
226 1 22 GLN QG 1 23 GLU H 4.910 . 4.910 2.901 2.558 4.103 . 0 0 "[ . 1]" 1
227 1 22 GLN QG 1 23 GLU HA 4.640 . 4.640 3.919 3.415 4.588 . 0 0 "[ . 1]" 1
228 1 22 GLN QG 1 24 GLY H 6.000 . 6.000 4.267 2.928 5.468 . 0 0 "[ . 1]" 1
229 1 22 GLN QG 1 27 LEU MD1 6.000 . 6.000 5.026 3.423 6.077 0.077 6 0 "[ . 1]" 1
230 1 22 GLN QG 1 27 LEU MD2 6.000 . 6.000 4.124 2.990 6.199 0.199 10 0 "[ . 1]" 1
231 1 23 GLU H 1 24 GLY H 5.540 . 5.540 3.660 2.686 4.065 . 0 0 "[ . 1]" 1
232 1 23 GLU H 1 26 GLN H 5.180 . 5.180 4.445 4.172 4.678 . 0 0 "[ . 1]" 1
233 1 23 GLU H 1 26 GLN QB 5.780 . 5.780 5.736 5.472 6.006 0.226 8 0 "[ . 1]" 1
234 1 23 GLU H 1 27 LEU HA 5.220 . 5.220 3.633 2.996 3.921 . 0 0 "[ . 1]" 1
235 1 23 GLU H 1 27 LEU MD1 6.000 . 6.000 5.137 3.606 5.956 . 0 0 "[ . 1]" 1
236 1 23 GLU H 1 27 LEU QD 5.290 . 5.290 3.633 3.205 4.963 . 0 0 "[ . 1]" 1
237 1 23 GLU H 1 27 LEU MD2 6.000 . 6.000 4.319 3.219 5.642 . 0 0 "[ . 1]" 1
238 1 24 GLY H 1 25 ASN HA 5.190 . 5.190 5.374 4.639 5.527 0.337 9 0 "[ . 1]" 1
239 1 24 GLY H 1 26 GLN H 6.000 . 6.000 4.539 2.364 4.923 . 0 0 "[ . 1]" 1
240 1 24 GLY QA 1 26 GLN H 5.480 . 5.480 3.105 2.936 3.628 . 0 0 "[ . 1]" 1
241 1 25 ASN H 1 26 GLN H 4.310 . 4.310 2.615 2.379 2.922 . 0 0 "[ . 1]" 1
242 1 25 ASN H 1 26 GLN HA 5.980 . 5.980 5.112 4.935 5.254 . 0 0 "[ . 1]" 1
243 1 25 ASN H 1 26 GLN QB 5.810 . 5.810 4.271 4.054 4.533 . 0 0 "[ . 1]" 1
244 1 26 GLN H 1 26 GLN HG2 5.020 . 5.020 3.737 2.358 5.066 0.046 5 0 "[ . 1]" 1
245 1 26 GLN H 1 26 GLN QG 4.410 . 4.410 3.127 2.282 4.265 . 0 0 "[ . 1]" 1
246 1 26 GLN H 1 26 GLN HG3 5.020 . 5.020 3.657 2.986 4.590 . 0 0 "[ . 1]" 1
247 1 26 GLN H 1 27 LEU H 5.790 . 5.790 4.372 4.295 4.446 . 0 0 "[ . 1]" 1
248 1 26 GLN HB2 1 27 LEU H 5.240 . 5.240 3.787 2.658 4.203 . 0 0 "[ . 1]" 1
249 1 26 GLN HB3 1 27 LEU H 5.240 . 5.240 3.359 2.633 4.013 . 0 0 "[ . 1]" 1
250 1 27 LEU H 1 56 ILE MG 5.310 . 5.310 4.630 4.022 5.378 0.068 7 0 "[ . 1]" 1
251 1 27 LEU H 1 63 LEU QD 5.820 . 5.820 4.833 4.054 5.324 . 0 0 "[ . 1]" 1
252 1 27 LEU HA 1 27 LEU QD 4.270 . 4.270 2.460 2.187 3.131 . 0 0 "[ . 1]" 1
253 1 27 LEU HA 1 63 LEU QD 5.920 . 5.920 5.557 4.892 6.030 0.110 2 0 "[ . 1]" 1
254 1 27 LEU QB 1 56 ILE MG 4.590 . 4.590 3.776 3.176 4.159 . 0 0 "[ . 1]" 1
255 1 27 LEU QB 1 63 LEU QD 5.110 . 5.110 4.549 3.635 5.086 . 0 0 "[ . 1]" 1
256 1 27 LEU HB2 1 28 HIS H 5.720 . 5.720 4.213 4.066 4.370 . 0 0 "[ . 1]" 1
257 1 27 LEU HB2 1 56 ILE MG 5.430 . 5.430 3.903 3.248 4.311 . 0 0 "[ . 1]" 1
258 1 27 LEU HB3 1 28 HIS H 5.720 . 5.720 3.346 3.201 3.486 . 0 0 "[ . 1]" 1
259 1 27 LEU HB3 1 56 ILE MG 5.430 . 5.430 5.067 4.484 5.473 0.043 1 0 "[ . 1]" 1
260 1 27 LEU QD 1 28 HIS H 5.120 . 5.120 3.951 3.641 4.438 . 0 0 "[ . 1]" 1
261 1 27 LEU MD1 1 28 HIS H 6.000 . 6.000 4.896 4.329 5.228 . 0 0 "[ . 1]" 1
262 1 27 LEU MD2 1 28 HIS H 6.000 . 6.000 4.324 3.737 4.975 . 0 0 "[ . 1]" 1
263 1 28 HIS QB 1 29 TYR H 4.180 . 4.180 3.726 3.445 3.903 . 0 0 "[ . 1]" 1
264 1 29 TYR H 1 56 ILE MD 6.000 . 6.000 5.685 5.250 6.138 0.138 4 0 "[ . 1]" 1
265 1 29 TYR HA 1 29 TYR QD 3.580 . 3.580 2.770 2.469 2.991 . 0 0 "[ . 1]" 1
266 1 29 TYR QB 1 56 ILE MD 5.130 . 5.130 3.532 3.168 3.889 . 0 0 "[ . 1]" 1
267 1 29 TYR HB2 1 30 LEU H 6.000 . 6.000 4.446 4.385 4.531 . 0 0 "[ . 1]" 1
268 1 29 TYR HB2 1 56 ILE MD 6.000 . 6.000 3.745 3.448 4.036 . 0 0 "[ . 1]" 1
269 1 29 TYR HB3 1 30 LEU H 6.000 . 6.000 4.434 4.398 4.525 . 0 0 "[ . 1]" 1
270 1 29 TYR HB3 1 56 ILE MD 6.000 . 6.000 4.354 3.694 5.085 . 0 0 "[ . 1]" 1
271 1 29 TYR QD 1 31 ALA MB 6.000 . 6.000 3.998 3.597 4.536 . 0 0 "[ . 1]" 1
272 1 29 TYR QD 1 56 ILE MD 6.000 . 6.000 4.096 3.597 4.676 . 0 0 "[ . 1]" 1
273 1 29 TYR QE 1 31 ALA HA 3.960 . 3.960 3.028 2.454 3.807 . 0 0 "[ . 1]" 1
274 1 29 TYR QE 1 31 ALA MB 5.250 . 5.250 3.385 2.988 3.651 . 0 0 "[ . 1]" 1
275 1 29 TYR QE 1 34 ALA MB 3.460 . 3.460 3.491 2.916 3.709 0.249 4 0 "[ . 1]" 1
276 1 30 LEU HA 1 30 LEU QD 4.240 . 4.240 2.311 2.078 3.106 . 0 0 "[ . 1]" 1
277 1 30 LEU HA 1 31 ALA MB 5.380 . 5.380 3.981 3.943 4.031 . 0 0 "[ . 1]" 1
278 1 30 LEU HA 1 32 ASP H 5.450 . 5.450 3.711 3.479 4.071 . 0 0 "[ . 1]" 1
279 1 30 LEU QB 1 32 ASP H 5.210 . 5.210 3.126 2.807 3.350 . 0 0 "[ . 1]" 1
280 1 30 LEU QB 1 33 ARG H 4.770 . 4.770 2.808 2.590 2.982 . 0 0 "[ . 1]" 1
281 1 30 LEU QD 1 31 ALA H 5.220 . 5.220 3.695 2.978 4.492 . 0 0 "[ . 1]" 1
282 1 30 LEU MD1 1 31 ALA H 6.000 . 6.000 4.369 3.033 5.475 . 0 0 "[ . 1]" 1
283 1 30 LEU MD1 1 32 ASP H 6.000 . 6.000 4.623 3.554 5.647 . 0 0 "[ . 1]" 1
284 1 30 LEU MD2 1 31 ALA H 6.000 . 6.000 4.381 3.735 5.218 . 0 0 "[ . 1]" 1
285 1 30 LEU MD2 1 32 ASP H 6.000 . 6.000 4.786 4.016 5.544 . 0 0 "[ . 1]" 1
286 1 31 ALA H 1 32 ASP H 4.660 . 4.660 2.587 2.272 2.717 . 0 0 "[ . 1]" 1
287 1 31 ALA H 1 33 ARG H 6.000 . 6.000 3.988 3.682 4.160 . 0 0 "[ . 1]" 1
288 1 31 ALA HA 1 33 ARG H 5.740 . 5.740 3.643 3.609 3.738 . 0 0 "[ . 1]" 1
289 1 31 ALA HA 1 34 ALA H 6.000 . 6.000 5.035 3.851 5.546 . 0 0 "[ . 1]" 1
290 1 31 ALA HA 1 34 ALA MB 4.550 . 4.550 3.426 3.061 3.694 . 0 0 "[ . 1]" 1
291 1 31 ALA MB 1 32 ASP H 4.360 . 4.360 2.620 2.507 2.820 . 0 0 "[ . 1]" 1
292 1 32 ASP H 1 33 ARG H 4.330 . 4.330 2.617 2.569 2.665 . 0 0 "[ . 1]" 1
293 1 32 ASP H 1 34 ALA H 5.930 . 5.930 5.188 4.285 5.586 . 0 0 "[ . 1]" 1
294 1 32 ASP HA 1 34 ALA H 5.450 . 5.450 4.036 3.665 4.306 . 0 0 "[ . 1]" 1
295 1 32 ASP HB2 1 33 ARG H 6.000 . 6.000 3.509 3.270 4.253 . 0 0 "[ . 1]" 1
296 1 32 ASP HB3 1 33 ARG H 6.000 . 6.000 4.115 3.365 4.333 . 0 0 "[ . 1]" 1
297 1 33 ARG H 1 34 ALA H 4.290 . 4.290 3.195 2.425 3.502 . 0 0 "[ . 1]" 1
298 1 33 ARG H 1 34 ALA HA 6.000 . 6.000 5.216 4.959 5.329 . 0 0 "[ . 1]" 1
299 1 33 ARG QG 1 34 ALA H 5.810 . 5.810 4.434 3.994 4.770 . 0 0 "[ . 1]" 1
300 1 34 ALA H 1 35 SER H 5.770 . 5.770 4.217 3.962 4.366 . 0 0 "[ . 1]" 1
301 1 34 ALA MB 1 35 SER H 4.370 . 4.370 2.556 2.125 3.173 . 0 0 "[ . 1]" 1
302 1 34 ALA MB 1 36 ILE H 6.000 . 6.000 5.337 4.902 5.722 . 0 0 "[ . 1]" 1
303 1 35 SER H 1 36 ILE H 5.970 . 5.970 4.457 4.300 4.631 . 0 0 "[ . 1]" 1
304 1 35 SER HA 1 36 ILE HB 6.000 . 6.000 5.121 4.456 5.823 . 0 0 "[ . 1]" 1
305 1 35 SER HB2 1 36 ILE H 5.310 . 5.310 3.687 2.490 4.299 . 0 0 "[ . 1]" 1
306 1 35 SER HB3 1 36 ILE H 5.310 . 5.310 3.443 2.360 4.244 . 0 0 "[ . 1]" 1
307 1 35 SER HB3 1 36 ILE MG 6.000 . 6.000 5.396 3.742 6.285 0.285 9 0 "[ . 1]" 1
308 1 36 ILE H 1 36 ILE MD 5.700 . 5.700 3.727 2.875 4.256 . 0 0 "[ . 1]" 1
309 1 36 ILE H 1 37 THR HA 6.000 . 6.000 5.232 4.932 5.424 . 0 0 "[ . 1]" 1
310 1 36 ILE H 1 37 THR MG 6.000 . 6.000 4.830 4.068 6.288 0.288 7 0 "[ . 1]" 1
311 1 36 ILE HA 1 37 THR MG 5.380 . 5.380 3.837 3.344 5.431 0.051 7 0 "[ . 1]" 1
312 1 36 ILE MD 1 37 THR H 4.960 . 4.960 4.172 2.283 4.975 0.015 1 0 "[ . 1]" 1
313 1 36 ILE MD 1 40 PHE QE 4.920 . 4.920 4.360 2.183 5.115 0.195 10 0 "[ . 1]" 1
314 1 36 ILE MG 1 37 THR H 4.570 . 4.570 3.195 2.355 3.779 . 0 0 "[ . 1]" 1
315 1 36 ILE MG 1 37 THR HA 5.410 . 5.410 4.467 3.657 5.552 0.142 6 0 "[ . 1]" 1
316 1 36 ILE MG 1 40 PHE H 5.940 . 5.940 5.270 2.871 6.077 0.137 7 0 "[ . 1]" 1
317 1 36 ILE MG 1 40 PHE QE 4.670 . 4.670 3.742 2.638 4.928 0.258 8 0 "[ . 1]" 1
318 1 37 THR H 1 38 GLY H 5.800 . 5.800 4.384 4.267 4.463 . 0 0 "[ . 1]" 1
319 1 37 THR HB 1 38 GLY H 5.570 . 5.570 3.363 2.870 4.207 . 0 0 "[ . 1]" 1
320 1 37 THR MG 1 38 GLY H 4.500 . 4.500 3.676 2.469 4.079 . 0 0 "[ . 1]" 1
321 1 38 GLY H 1 39 LYS H 5.470 . 5.470 4.079 2.817 4.631 . 0 0 "[ . 1]" 1
322 1 39 LYS H 1 39 LYS QG 5.110 . 5.110 2.548 2.024 4.190 . 0 0 "[ . 1]" 1
323 1 39 LYS H 1 40 PHE H 5.960 . 5.960 4.097 3.092 4.585 . 0 0 "[ . 1]" 1
324 1 39 LYS HA 1 39 LYS QE 6.000 . 6.000 5.022 4.500 5.679 . 0 0 "[ . 1]" 1
325 1 39 LYS HA 1 41 SER H 5.880 . 5.880 5.993 5.836 6.078 0.198 3 0 "[ . 1]" 1
326 1 39 LYS QB 1 40 PHE HA 5.810 . 5.810 4.614 4.357 4.964 . 0 0 "[ . 1]" 1
327 1 39 LYS QG 1 40 PHE H 5.120 . 5.120 4.083 2.703 4.448 . 0 0 "[ . 1]" 1
328 1 40 PHE H 1 40 PHE QD 3.820 . 3.820 2.391 1.874 2.682 . 0 0 "[ . 1]" 1
329 1 40 PHE HA 1 45 CYS H 5.550 . 5.550 5.108 4.771 5.382 . 0 0 "[ . 1]" 1
330 1 40 PHE HB2 1 41 SER H 6.000 . 6.000 4.103 3.962 4.273 . 0 0 "[ . 1]" 1
331 1 40 PHE HB2 1 45 CYS HA 6.000 . 6.000 3.309 2.865 3.676 . 0 0 "[ . 1]" 1
332 1 40 PHE HB2 1 48 LEU QD 5.420 . 5.420 4.644 3.967 5.296 . 0 0 "[ . 1]" 1
333 1 40 PHE HB3 1 40 PHE QE 4.710 . 4.710 4.484 4.481 4.490 . 0 0 "[ . 1]" 1
334 1 40 PHE HB3 1 41 SER H 6.000 . 6.000 3.278 3.064 3.578 . 0 0 "[ . 1]" 1
335 1 40 PHE QD 1 41 SER H 4.480 . 4.480 4.276 4.001 4.427 . 0 0 "[ . 1]" 1
336 1 40 PHE QD 1 102 PRO QB 5.640 . 5.640 5.523 4.764 5.760 0.120 3 0 "[ . 1]" 1
337 1 40 PHE QE 1 48 LEU MD1 5.810 . 5.810 3.936 2.768 5.203 . 0 0 "[ . 1]" 1
338 1 40 PHE QE 1 48 LEU QD 4.680 . 4.680 3.251 2.755 3.781 . 0 0 "[ . 1]" 1
339 1 40 PHE QE 1 48 LEU MD2 5.810 . 5.810 3.990 2.825 5.252 . 0 0 "[ . 1]" 1
340 1 40 PHE QE 1 102 PRO QB 5.810 . 5.810 3.886 2.904 4.577 . 0 0 "[ . 1]" 1
341 1 40 PHE HZ 1 48 LEU QD 4.650 . 4.650 3.980 3.398 4.679 0.029 10 0 "[ . 1]" 1
342 1 41 SER H 1 44 GLU H 6.000 . 6.000 3.783 3.596 3.880 . 0 0 "[ . 1]" 1
343 1 41 SER H 1 44 GLU HB2 6.000 . 6.000 2.386 2.157 3.296 . 0 0 "[ . 1]" 1
344 1 41 SER H 1 44 GLU QB 5.150 . 5.150 2.270 2.142 2.422 . 0 0 "[ . 1]" 1
345 1 41 SER H 1 44 GLU HB3 6.000 . 6.000 3.592 2.362 3.885 . 0 0 "[ . 1]" 1
346 1 41 SER QB 1 43 ALA H 5.740 . 5.740 2.580 2.397 2.747 . 0 0 "[ . 1]" 1
347 1 42 ASP H 1 43 ALA H 5.440 . 5.440 2.649 2.606 2.719 . 0 0 "[ . 1]" 1
348 1 42 ASP H 1 44 GLU H 6.000 . 6.000 4.020 3.987 4.073 . 0 0 "[ . 1]" 1
349 1 43 ALA H 1 44 GLU H 4.540 . 4.540 2.267 2.215 2.291 . 0 0 "[ . 1]" 1
350 1 43 ALA MB 1 44 GLU H 4.800 . 4.800 3.097 2.911 3.146 . 0 0 "[ . 1]" 1
351 1 43 ALA MB 1 44 GLU HA 5.780 . 5.780 4.170 4.094 4.223 . 0 0 "[ . 1]" 1
352 1 43 ALA MB 1 45 CYS H 5.900 . 5.900 4.752 4.604 4.855 . 0 0 "[ . 1]" 1
353 1 44 GLU H 1 45 CYS H 4.350 . 4.350 2.103 2.041 2.207 . 0 0 "[ . 1]" 1
354 1 44 GLU HB2 1 45 CYS H 5.420 . 5.420 3.057 2.732 4.008 . 0 0 "[ . 1]" 1
355 1 44 GLU HB3 1 45 CYS H 5.420 . 5.420 3.797 2.904 3.975 . 0 0 "[ . 1]" 1
356 1 45 CYS HA 1 48 LEU H 5.740 . 5.740 3.816 3.576 4.007 . 0 0 "[ . 1]" 1
357 1 45 CYS HA 1 48 LEU QB 5.810 . 5.810 3.073 2.804 3.257 . 0 0 "[ . 1]" 1
358 1 45 CYS HA 1 48 LEU QD 5.920 . 5.920 3.799 2.921 4.190 . 0 0 "[ . 1]" 1
359 1 45 CYS QB 1 46 PRO HA 5.430 . 5.430 4.082 3.857 4.694 . 0 0 "[ . 1]" 1
360 1 45 CYS QB 1 46 PRO QB 5.180 . 5.180 4.579 4.160 4.709 . 0 0 "[ . 1]" 1
361 1 46 PRO HA 1 49 ASP H 6.000 . 6.000 3.577 3.239 3.753 . 0 0 "[ . 1]" 1
362 1 46 PRO HA 1 49 ASP QB 4.910 . 4.910 2.844 2.377 3.504 . 0 0 "[ . 1]" 1
363 1 47 LYS H 1 47 LYS HG2 5.700 . 5.700 3.548 1.968 4.679 . 0 0 "[ . 1]" 1
364 1 47 LYS H 1 47 LYS QG 5.000 . 5.000 2.819 1.956 4.088 . 0 0 "[ . 1]" 1
365 1 47 LYS H 1 47 LYS HG3 5.700 . 5.700 3.285 2.010 4.509 . 0 0 "[ . 1]" 1
366 1 47 LYS H 1 48 LEU H 4.600 . 4.600 2.814 2.756 2.949 . 0 0 "[ . 1]" 1
367 1 47 LYS HA 1 48 LEU QD 5.920 . 5.920 5.446 4.222 5.916 . 0 0 "[ . 1]" 1
368 1 47 LYS HA 1 50 VAL H 5.890 . 5.890 3.617 3.261 3.842 . 0 0 "[ . 1]" 1
369 1 47 LYS HB2 1 48 LEU H 5.320 . 5.320 3.162 2.379 3.993 . 0 0 "[ . 1]" 1
370 1 47 LYS HB3 1 48 LEU H 5.320 . 5.320 3.273 2.485 3.944 . 0 0 "[ . 1]" 1
371 1 47 LYS QG 1 48 LEU H 5.740 . 5.740 3.936 3.613 4.159 . 0 0 "[ . 1]" 1
372 1 48 LEU H 1 49 ASP H 4.780 . 4.780 2.603 2.443 2.717 . 0 0 "[ . 1]" 1
373 1 48 LEU H 1 49 ASP QB 6.000 . 6.000 4.557 4.211 4.750 . 0 0 "[ . 1]" 1
374 1 48 LEU H 1 50 VAL H 5.770 . 5.770 4.031 3.901 4.203 . 0 0 "[ . 1]" 1
375 1 48 LEU HA 1 48 LEU QD 4.280 . 4.280 2.219 2.061 2.384 . 0 0 "[ . 1]" 1
376 1 48 LEU HA 1 49 ASP H 6.000 . 6.000 3.532 3.525 3.544 . 0 0 "[ . 1]" 1
377 1 48 LEU HA 1 51 VAL H 5.870 . 5.870 3.248 2.934 3.610 . 0 0 "[ . 1]" 1
378 1 48 LEU HA 1 51 VAL HB 5.650 . 5.650 2.981 2.379 5.368 . 0 0 "[ . 1]" 1
379 1 48 LEU HA 1 51 VAL QG 4.320 . 4.320 2.858 2.275 3.449 . 0 0 "[ . 1]" 1
380 1 48 LEU HB2 1 49 ASP H 5.630 . 5.630 3.494 2.745 3.946 . 0 0 "[ . 1]" 1
381 1 48 LEU HB3 1 49 ASP H 5.630 . 5.630 2.978 2.643 3.657 . 0 0 "[ . 1]" 1
382 1 48 LEU QD 1 51 VAL QG 4.770 . 4.770 2.955 2.181 3.486 . 0 0 "[ . 1]" 1
383 1 48 LEU QD 1 52 PHE H 5.920 . 5.920 4.140 2.689 5.048 . 0 0 "[ . 1]" 1
384 1 48 LEU QD 1 100 VAL HB 5.920 . 5.920 5.583 4.848 6.088 0.168 2 0 "[ . 1]" 1
385 1 48 LEU QD 1 100 VAL QG 4.310 . 4.310 3.539 2.915 4.076 . 0 0 "[ . 1]" 1
386 1 49 ASP H 1 50 VAL H 4.570 . 4.570 2.669 2.560 2.721 . 0 0 "[ . 1]" 1
387 1 49 ASP QB 1 50 VAL H 4.820 . 4.820 3.000 2.604 3.254 . 0 0 "[ . 1]" 1
388 1 50 VAL H 1 50 VAL HB 4.110 . 4.110 2.778 2.471 3.727 . 0 0 "[ . 1]" 1
389 1 50 VAL H 1 51 VAL H 4.150 . 4.150 2.322 2.065 2.628 . 0 0 "[ . 1]" 1
390 1 50 VAL H 1 51 VAL QG 5.150 . 5.150 3.734 3.300 4.416 . 0 0 "[ . 1]" 1
391 1 50 VAL H 1 52 PHE H 5.730 . 5.730 3.780 3.639 4.079 . 0 0 "[ . 1]" 1
392 1 50 VAL HB 1 51 VAL H 4.950 . 4.950 3.348 2.456 4.259 . 0 0 "[ . 1]" 1
393 1 50 VAL QG 1 51 VAL H 4.890 . 4.890 3.186 2.515 3.566 . 0 0 "[ . 1]" 1
394 1 50 VAL QG 1 51 VAL HB 5.650 . 5.650 4.618 3.073 5.152 . 0 0 "[ . 1]" 1
395 1 50 VAL QG 1 52 PHE H 4.950 . 4.950 4.464 4.166 4.752 . 0 0 "[ . 1]" 1
396 1 50 VAL QG 1 53 PRO QG 5.920 . 5.920 3.669 3.199 4.136 . 0 0 "[ . 1]" 1
397 1 50 VAL QG 1 54 HIS H 5.920 . 5.920 5.110 4.786 5.625 . 0 0 "[ . 1]" 1
398 1 50 VAL MG1 1 51 VAL H 5.820 . 5.820 3.712 2.639 4.167 . 0 0 "[ . 1]" 1
399 1 50 VAL MG1 1 52 PHE H 5.870 . 5.870 5.034 4.520 5.379 . 0 0 "[ . 1]" 1
400 1 50 VAL MG2 1 51 VAL H 5.820 . 5.820 3.706 2.539 4.180 . 0 0 "[ . 1]" 1
401 1 50 VAL MG2 1 52 PHE H 5.870 . 5.870 5.054 4.366 5.370 . 0 0 "[ . 1]" 1
402 1 51 VAL HA 1 54 HIS H 5.410 . 5.410 3.511 3.292 3.736 . 0 0 "[ . 1]" 1
403 1 51 VAL HA 1 54 HIS QB 5.130 . 5.130 2.823 2.426 3.246 . 0 0 "[ . 1]" 1
404 1 51 VAL HB 1 54 HIS H 6.000 . 6.000 5.673 5.256 5.914 . 0 0 "[ . 1]" 1
405 1 51 VAL QG 1 52 PHE H 4.610 . 4.610 3.268 2.361 3.571 . 0 0 "[ . 1]" 1
406 1 51 VAL QG 1 54 HIS H 5.920 . 5.920 4.226 3.937 4.625 . 0 0 "[ . 1]" 1
407 1 51 VAL QG 1 80 HIS QB 5.280 . 5.280 4.471 3.765 5.351 0.071 2 0 "[ . 1]" 1
408 1 51 VAL QG 1 81 ASN QB 4.470 . 4.470 2.757 2.377 3.262 . 0 0 "[ . 1]" 1
409 1 51 VAL MG1 1 83 PHE H 6.000 . 6.000 4.784 4.094 6.012 0.012 10 0 "[ . 1]" 1
410 1 51 VAL MG1 1 83 PHE HB2 6.000 . 6.000 3.659 3.097 4.583 . 0 0 "[ . 1]" 1
411 1 51 VAL MG1 1 83 PHE HB3 6.000 . 6.000 4.217 3.390 5.165 . 0 0 "[ . 1]" 1
412 1 51 VAL MG2 1 83 PHE H 6.000 . 6.000 5.795 5.028 6.115 0.115 9 0 "[ . 1]" 1
413 1 51 VAL MG2 1 83 PHE HB2 6.000 . 6.000 5.074 4.059 5.845 . 0 0 "[ . 1]" 1
414 1 51 VAL MG2 1 83 PHE HB3 6.000 . 6.000 5.737 4.829 6.175 0.175 4 0 "[ . 1]" 1
415 1 52 PHE H 1 53 PRO QD 5.020 . 5.020 2.214 2.028 2.347 . 0 0 "[ . 1]" 1
416 1 53 PRO HA 1 56 ILE H 5.010 . 5.010 3.263 2.923 3.484 . 0 0 "[ . 1]" 1
417 1 53 PRO HA 1 56 ILE HB 4.890 . 4.890 2.726 2.420 3.035 . 0 0 "[ . 1]" 1
418 1 53 PRO HA 1 56 ILE MD 5.530 . 5.530 3.313 2.501 4.858 . 0 0 "[ . 1]" 1
419 1 53 PRO HA 1 56 ILE QG 6.000 . 6.000 3.302 2.931 3.642 . 0 0 "[ . 1]" 1
420 1 53 PRO HA 1 56 ILE MG 5.370 . 5.370 4.218 3.962 4.516 . 0 0 "[ . 1]" 1
421 1 53 PRO QG 1 54 HIS H 5.220 . 5.220 2.933 2.361 3.891 . 0 0 "[ . 1]" 1
422 1 54 HIS H 1 55 PHE H 4.640 . 4.640 2.734 2.606 2.806 . 0 0 "[ . 1]" 1
423 1 54 HIS HA 1 57 SER H 6.000 . 6.000 3.692 3.360 4.542 . 0 0 "[ . 1]" 1
424 1 54 HIS HA 1 57 SER QB 4.890 . 4.890 3.049 2.428 4.398 . 0 0 "[ . 1]" 1
425 1 54 HIS HA 1 58 GLN H 6.000 . 6.000 4.394 3.847 4.958 . 0 0 "[ . 1]" 1
426 1 55 PHE HA 1 55 PHE QD 3.320 . 3.320 2.606 2.334 3.027 . 0 0 "[ . 1]" 1
427 1 55 PHE HA 1 58 GLN H 5.320 . 5.320 3.662 3.501 3.810 . 0 0 "[ . 1]" 1
428 1 55 PHE HA 1 58 GLN QB 5.450 . 5.450 3.207 2.908 3.377 . 0 0 "[ . 1]" 1
429 1 55 PHE HA 1 59 ILE H 6.000 . 6.000 4.169 3.585 4.719 . 0 0 "[ . 1]" 1
430 1 55 PHE HA 1 78 LEU QD 5.260 . 5.260 4.227 3.353 4.792 . 0 0 "[ . 1]" 1
431 1 55 PHE QB 1 59 ILE MD 5.290 . 5.290 3.724 2.221 5.286 . 0 0 "[ . 1]" 1
432 1 55 PHE QB 1 78 LEU QD 5.730 . 5.730 4.627 3.907 5.344 . 0 0 "[ . 1]" 1
433 1 55 PHE HB2 1 56 ILE H 6.000 . 6.000 3.173 2.521 4.004 . 0 0 "[ . 1]" 1
434 1 55 PHE HB2 1 59 ILE MD 6.000 . 6.000 4.934 3.642 6.205 0.205 3 0 "[ . 1]" 1
435 1 55 PHE HB3 1 56 ILE H 6.000 . 6.000 3.162 2.576 3.685 . 0 0 "[ . 1]" 1
436 1 55 PHE HB3 1 59 ILE MD 6.000 . 6.000 3.899 2.240 5.728 . 0 0 "[ . 1]" 1
437 1 55 PHE QD 1 58 GLN QB 4.620 . 4.620 4.545 4.139 4.757 0.137 7 0 "[ . 1]" 1
438 1 55 PHE QD 1 78 LEU HB2 4.700 . 4.700 4.113 3.496 4.827 0.127 7 0 "[ . 1]" 1
439 1 55 PHE QD 1 78 LEU QB 3.900 . 3.900 3.738 3.403 3.948 0.048 6 0 "[ . 1]" 1
440 1 55 PHE QD 1 78 LEU HB3 4.700 . 4.700 4.453 3.746 4.702 0.002 2 0 "[ . 1]" 1
441 1 55 PHE QD 1 78 LEU QD 3.950 . 3.950 3.359 2.334 3.779 . 0 0 "[ . 1]" 1
442 1 55 PHE QD 1 80 HIS QB 5.780 . 5.780 4.811 3.932 5.793 0.013 7 0 "[ . 1]" 1
443 1 55 PHE QD 1 85 CYS H 6.000 . 6.000 4.570 3.399 5.182 . 0 0 "[ . 1]" 1
444 1 56 ILE H 1 56 ILE MD 5.490 . 5.490 3.358 2.951 3.558 . 0 0 "[ . 1]" 1
445 1 56 ILE H 1 56 ILE QG 4.650 . 4.650 2.050 1.975 2.120 . 0 0 "[ . 1]" 1
446 1 56 ILE H 1 59 ILE MD 6.000 . 6.000 4.914 3.879 6.004 0.004 2 0 "[ . 1]" 1
447 1 56 ILE HA 1 59 ILE H 5.820 . 5.820 3.434 2.998 4.001 . 0 0 "[ . 1]" 1
448 1 56 ILE HA 1 59 ILE HB 5.530 . 5.530 2.775 2.418 4.079 . 0 0 "[ . 1]" 1
449 1 56 ILE HA 1 59 ILE MD 4.780 . 4.780 3.413 2.412 4.395 . 0 0 "[ . 1]" 1
450 1 56 ILE HA 1 60 GLU H 6.000 . 6.000 3.915 3.097 4.239 . 0 0 "[ . 1]" 1
451 1 56 ILE HA 1 60 GLU QB 5.810 . 5.810 4.895 3.675 5.863 0.053 2 0 "[ . 1]" 1
452 1 56 ILE HB 1 57 SER H 5.190 . 5.190 2.774 2.603 2.993 . 0 0 "[ . 1]" 1
453 1 56 ILE MD 1 57 SER H 6.000 . 6.000 4.575 4.453 4.688 . 0 0 "[ . 1]" 1
454 1 56 ILE QG 1 59 ILE MD 4.880 . 4.880 4.452 3.385 5.102 0.222 2 0 "[ . 1]" 1
455 1 56 ILE MG 1 57 SER H 5.320 . 5.320 3.688 3.587 3.899 . 0 0 "[ . 1]" 1
456 1 56 ILE MG 1 57 SER HA 5.630 . 5.630 3.734 3.602 3.878 . 0 0 "[ . 1]" 1
457 1 56 ILE MG 1 57 SER QB 6.000 . 6.000 4.725 4.501 5.135 . 0 0 "[ . 1]" 1
458 1 56 ILE MG 1 59 ILE H 5.500 . 5.500 4.730 4.196 5.343 . 0 0 "[ . 1]" 1
459 1 56 ILE MG 1 60 GLU H 5.010 . 5.010 3.892 3.475 4.511 . 0 0 "[ . 1]" 1
460 1 56 ILE MG 1 60 GLU QB 5.540 . 5.540 3.524 2.352 4.557 . 0 0 "[ . 1]" 1
461 1 56 ILE MG 1 60 GLU QG 5.170 . 5.170 3.836 2.175 5.192 0.022 6 0 "[ . 1]" 1
462 1 57 SER H 1 58 GLN H 4.540 . 4.540 2.756 2.598 2.816 . 0 0 "[ . 1]" 1
463 1 57 SER HA 1 58 GLN QB 5.980 . 5.980 5.394 5.217 5.537 . 0 0 "[ . 1]" 1
464 1 57 SER HA 1 59 ILE H 6.000 . 6.000 4.727 4.329 5.088 . 0 0 "[ . 1]" 1
465 1 57 SER HA 1 60 GLU H 5.500 . 5.500 3.977 3.718 4.318 . 0 0 "[ . 1]" 1
466 1 57 SER HA 1 60 GLU QB 5.240 . 5.240 3.306 2.756 4.208 . 0 0 "[ . 1]" 1
467 1 57 SER QB 1 58 GLN H 4.560 . 4.560 2.827 2.466 3.455 . 0 0 "[ . 1]" 1
468 1 57 SER QB 1 58 GLN QB 5.440 . 5.440 4.344 3.786 5.078 . 0 0 "[ . 1]" 1
469 1 58 GLN H 1 58 GLN QB 3.850 . 3.850 2.346 2.192 2.445 . 0 0 "[ . 1]" 1
470 1 58 GLN H 1 59 ILE H 4.540 . 4.540 2.605 2.475 2.817 . 0 0 "[ . 1]" 1
471 1 58 GLN H 1 59 ILE MD 6.000 . 6.000 5.165 4.103 6.198 0.198 7 0 "[ . 1]" 1
472 1 58 GLN H 1 59 ILE QG 5.990 . 5.990 4.616 3.807 6.188 0.198 7 0 "[ . 1]" 1
473 1 59 ILE H 1 59 ILE MD 4.550 . 4.550 3.431 2.157 4.287 . 0 0 "[ . 1]" 1
474 1 59 ILE H 1 59 ILE QG 4.470 . 4.470 2.554 1.974 3.957 . 0 0 "[ . 1]" 1
475 1 59 ILE H 1 62 MET H 6.000 . 6.000 4.688 4.542 4.933 . 0 0 "[ . 1]" 1
476 1 59 ILE H 1 63 LEU QD 5.920 . 5.920 5.980 5.930 6.033 0.113 1 0 "[ . 1]" 1
477 1 59 ILE H 1 78 LEU QD 5.920 . 5.920 4.434 4.114 5.042 . 0 0 "[ . 1]" 1
478 1 59 ILE HA 1 59 ILE MD 4.620 . 4.620 3.248 2.210 3.881 . 0 0 "[ . 1]" 1
479 1 59 ILE HA 1 60 GLU QB 5.660 . 5.660 5.314 5.179 5.586 . 0 0 "[ . 1]" 1
480 1 59 ILE HA 1 61 SER H 6.000 . 6.000 4.276 3.979 4.559 . 0 0 "[ . 1]" 1
481 1 59 ILE HA 1 62 MET H 5.320 . 5.320 3.228 3.058 3.454 . 0 0 "[ . 1]" 1
482 1 59 ILE HA 1 62 MET QB 5.690 . 5.690 2.492 2.235 3.021 . 0 0 "[ . 1]" 1
483 1 59 ILE HA 1 78 LEU QD 5.390 . 5.390 3.991 3.148 4.732 . 0 0 "[ . 1]" 1
484 1 59 ILE HB 1 60 GLU H 4.870 . 4.870 2.740 2.471 3.882 . 0 0 "[ . 1]" 1
485 1 59 ILE MD 1 60 GLU H 5.670 . 5.670 4.587 4.211 4.892 . 0 0 "[ . 1]" 1
486 1 59 ILE MD 1 62 MET QB 5.810 . 5.810 4.602 3.422 5.520 . 0 0 "[ . 1]" 1
487 1 59 ILE MG 1 60 GLU H 5.920 . 5.920 3.113 2.037 3.458 . 0 0 "[ . 1]" 1
488 1 59 ILE MG 1 61 SER H 6.000 . 6.000 4.826 4.391 5.067 . 0 0 "[ . 1]" 1
489 1 59 ILE MG 1 62 MET H 6.000 . 6.000 4.532 4.375 4.762 . 0 0 "[ . 1]" 1
490 1 60 GLU H 1 60 GLU QG 4.550 . 4.550 3.235 1.931 4.081 . 0 0 "[ . 1]" 1
491 1 60 GLU H 1 61 SER H 4.420 . 4.420 2.772 2.725 2.826 . 0 0 "[ . 1]" 1
492 1 60 GLU H 1 61 SER QB 5.810 . 5.810 4.901 4.557 5.127 . 0 0 "[ . 1]" 1
493 1 60 GLU H 1 62 MET H 6.000 . 6.000 4.128 3.974 4.339 . 0 0 "[ . 1]" 1
494 1 60 GLU H 1 63 LEU QD 5.300 . 5.300 4.469 4.238 4.641 . 0 0 "[ . 1]" 1
495 1 60 GLU HA 1 63 LEU H 5.360 . 5.360 3.804 3.633 4.267 . 0 0 "[ . 1]" 1
496 1 60 GLU HA 1 63 LEU QB 4.810 . 4.810 3.689 3.320 4.525 . 0 0 "[ . 1]" 1
497 1 60 GLU HA 1 63 LEU QD 4.420 . 4.420 2.403 2.153 2.624 . 0 0 "[ . 1]" 1
498 1 60 GLU HA 1 64 THR H 6.000 . 6.000 5.194 4.819 5.585 . 0 0 "[ . 1]" 1
499 1 60 GLU QB 1 62 MET H 5.210 . 5.210 4.739 4.528 5.268 0.058 1 0 "[ . 1]" 1
500 1 60 GLU QG 1 61 SER H 5.590 . 5.590 3.854 2.241 4.481 . 0 0 "[ . 1]" 1
501 1 60 GLU QG 1 63 LEU QD 5.140 . 5.140 3.668 3.056 4.324 . 0 0 "[ . 1]" 1
502 1 61 SER H 1 61 SER QB 3.600 . 3.600 2.511 2.284 2.623 . 0 0 "[ . 1]" 1
503 1 61 SER H 1 62 MET QB 5.810 . 5.810 4.396 4.228 4.729 . 0 0 "[ . 1]" 1
504 1 61 SER H 1 63 LEU H 5.840 . 5.840 4.213 4.031 4.353 . 0 0 "[ . 1]" 1
505 1 61 SER H 1 63 LEU QB 5.290 . 5.290 5.376 5.277 5.944 0.654 1 1 "[+ . 1]" 1
506 1 61 SER H 1 63 LEU QD 5.920 . 5.920 4.923 4.205 5.237 . 0 0 "[ . 1]" 1
507 1 61 SER H 1 63 LEU HG 6.000 . 6.000 5.214 4.593 6.061 0.061 3 0 "[ . 1]" 1
508 1 61 SER HA 1 63 LEU QB 5.810 . 5.810 4.743 4.383 5.685 . 0 0 "[ . 1]" 1
509 1 61 SER HA 1 64 THR H 5.250 . 5.250 3.309 3.177 3.420 . 0 0 "[ . 1]" 1
510 1 61 SER QB 1 63 LEU H 5.810 . 5.810 4.853 4.614 5.150 . 0 0 "[ . 1]" 1
511 1 61 SER QB 1 65 THR MG 4.550 . 4.550 3.605 2.658 4.553 0.003 4 0 "[ . 1]" 1
512 1 62 MET H 1 62 MET ME 4.810 . 4.810 4.226 3.341 4.805 . 0 0 "[ . 1]" 1
513 1 62 MET H 1 63 LEU H 4.020 . 4.020 2.744 2.657 2.880 . 0 0 "[ . 1]" 1
514 1 62 MET H 1 63 LEU QB 5.810 . 5.810 4.809 4.632 4.999 . 0 0 "[ . 1]" 1
515 1 62 MET H 1 63 LEU QD 5.920 . 5.920 4.576 4.245 4.818 . 0 0 "[ . 1]" 1
516 1 62 MET H 1 63 LEU HG 6.000 . 6.000 4.280 3.899 4.712 . 0 0 "[ . 1]" 1
517 1 62 MET H 1 65 THR MG 5.890 . 5.890 5.207 3.996 5.998 0.108 5 0 "[ . 1]" 1
518 1 62 MET H 1 78 LEU QD 5.890 . 5.890 5.581 4.949 5.983 0.093 9 0 "[ . 1]" 1
519 1 62 MET HA 1 62 MET ME 4.540 . 4.540 3.499 2.436 4.551 0.011 8 0 "[ . 1]" 1
520 1 62 MET QB 1 64 THR H 5.810 . 5.810 4.705 4.542 4.921 . 0 0 "[ . 1]" 1
521 1 62 MET ME 1 63 LEU H 5.230 . 5.230 5.320 4.288 5.613 0.383 4 0 "[ . 1]" 1
522 1 62 MET ME 1 78 LEU QD 5.020 . 5.020 2.803 1.954 4.042 . 0 0 "[ . 1]" 1
523 1 63 LEU H 1 63 LEU MD1 5.270 . 5.270 3.511 3.193 3.864 . 0 0 "[ . 1]" 1
524 1 63 LEU H 1 63 LEU QD 4.390 . 4.390 2.961 2.730 3.095 . 0 0 "[ . 1]" 1
525 1 63 LEU H 1 63 LEU MD2 5.270 . 5.270 3.254 2.791 3.870 . 0 0 "[ . 1]" 1
526 1 63 LEU H 1 63 LEU HG 4.350 . 4.350 2.130 1.920 2.453 . 0 0 "[ . 1]" 1
527 1 63 LEU H 1 64 THR HA 6.000 . 6.000 5.337 5.284 5.394 . 0 0 "[ . 1]" 1
528 1 63 LEU H 1 68 LEU H 6.000 . 6.000 5.560 4.983 6.066 0.066 1 0 "[ . 1]" 1
529 1 63 LEU HA 1 63 LEU QD 4.100 . 4.100 2.337 2.179 3.469 . 0 0 "[ . 1]" 1
530 1 63 LEU HA 1 67 GLU H 5.530 . 5.530 4.418 3.741 5.338 . 0 0 "[ . 1]" 1
531 1 63 LEU HA 1 68 LEU H 4.850 . 4.850 2.935 2.329 3.698 . 0 0 "[ . 1]" 1
532 1 63 LEU HA 1 68 LEU QB 5.040 . 5.040 2.786 2.307 3.767 . 0 0 "[ . 1]" 1
533 1 63 LEU HA 1 68 LEU MD1 6.000 . 6.000 4.414 2.730 6.097 0.097 10 0 "[ . 1]" 1
534 1 63 LEU HA 1 68 LEU MD2 6.000 . 6.000 4.032 2.386 5.435 . 0 0 "[ . 1]" 1
535 1 63 LEU QB 1 64 THR H 4.350 . 4.350 2.735 2.528 3.551 . 0 0 "[ . 1]" 1
536 1 63 LEU QB 1 64 THR HA 5.810 . 5.810 4.086 3.953 4.561 . 0 0 "[ . 1]" 1
537 1 63 LEU HB2 1 64 THR H 5.140 . 5.140 2.830 2.571 3.977 . 0 0 "[ . 1]" 1
538 1 63 LEU HB3 1 64 THR H 5.140 . 5.140 3.790 3.640 3.996 . 0 0 "[ . 1]" 1
539 1 63 LEU QD 1 68 LEU H 5.440 . 5.440 3.738 3.237 4.345 . 0 0 "[ . 1]" 1
540 1 63 LEU QD 1 68 LEU QB 4.800 . 4.800 2.482 2.040 3.364 . 0 0 "[ . 1]" 1
541 1 63 LEU MD1 1 64 THR H 6.000 . 6.000 4.383 2.959 4.642 . 0 0 "[ . 1]" 1
542 1 63 LEU MD2 1 64 THR H 6.000 . 6.000 4.632 3.778 4.936 . 0 0 "[ . 1]" 1
543 1 63 LEU HG 1 64 THR H 5.800 . 5.800 4.037 2.032 4.564 . 0 0 "[ . 1]" 1
544 1 63 LEU HG 1 68 LEU HB2 6.000 . 6.000 4.932 4.311 6.041 0.041 5 0 "[ . 1]" 1
545 1 63 LEU HG 1 68 LEU HB3 6.000 . 6.000 5.713 5.136 6.095 0.095 1 0 "[ . 1]" 1
546 1 64 THR H 1 65 THR H 4.020 . 4.020 2.628 2.514 2.834 . 0 0 "[ . 1]" 1
547 1 64 THR H 1 65 THR MG 5.510 . 5.510 4.760 3.938 5.751 0.241 5 0 "[ . 1]" 1
548 1 64 THR H 1 66 GLY H 5.670 . 5.670 3.754 3.592 3.875 . 0 0 "[ . 1]" 1
549 1 64 THR H 1 68 LEU H 6.000 . 6.000 5.360 4.903 6.143 0.143 10 0 "[ . 1]" 1
550 1 64 THR HA 1 65 THR MG 5.860 . 5.860 5.410 4.715 6.153 0.293 1 0 "[ . 1]" 1
551 1 64 THR HA 1 66 GLY H 5.880 . 5.880 4.777 4.620 5.029 . 0 0 "[ . 1]" 1
552 1 64 THR HB 1 65 THR H 4.520 . 4.520 2.653 2.078 3.387 . 0 0 "[ . 1]" 1
553 1 64 THR HB 1 66 GLY H 5.900 . 5.900 5.042 4.499 5.633 . 0 0 "[ . 1]" 1
554 1 64 THR MG 1 67 GLU H 6.000 . 6.000 5.239 4.668 6.318 0.318 5 0 "[ . 1]" 1
555 1 65 THR H 1 65 THR MG 3.900 . 3.900 2.745 2.014 3.743 . 0 0 "[ . 1]" 1
556 1 65 THR H 1 66 GLY H 4.080 . 4.080 2.620 2.435 2.702 . 0 0 "[ . 1]" 1
557 1 65 THR H 1 66 GLY QA 5.810 . 5.810 4.552 4.368 4.648 . 0 0 "[ . 1]" 1
558 1 65 THR H 1 67 GLU H 5.300 . 5.300 4.056 3.694 5.306 0.006 10 0 "[ . 1]" 1
559 1 65 THR HB 1 66 GLY H 6.000 . 6.000 3.324 2.564 3.919 . 0 0 "[ . 1]" 1
560 1 65 THR MG 1 66 GLY H 5.270 . 5.270 3.382 1.985 3.847 . 0 0 "[ . 1]" 1
561 1 65 THR MG 1 67 GLU H 6.000 . 6.000 4.799 4.021 5.222 . 0 0 "[ . 1]" 1
562 1 66 GLY H 1 67 GLU H 4.050 . 4.050 2.665 2.350 3.689 . 0 0 "[ . 1]" 1
563 1 66 GLY H 1 67 GLU HA 6.000 . 6.000 4.648 4.585 4.764 . 0 0 "[ . 1]" 1
564 1 66 GLY H 1 67 GLU QB 5.810 . 5.810 5.061 4.736 5.701 . 0 0 "[ . 1]" 1
565 1 66 GLY H 1 68 LEU H 5.090 . 5.090 5.099 4.692 5.319 0.229 1 0 "[ . 1]" 1
566 1 66 GLY QA 1 68 LEU H 5.260 . 5.260 4.623 4.274 5.240 . 0 0 "[ . 1]" 1
567 1 67 GLU H 1 67 GLU QG 4.440 . 4.440 3.284 2.046 4.143 . 0 0 "[ . 1]" 1
568 1 67 GLU H 1 68 LEU H 4.180 . 4.180 3.595 3.323 4.137 . 0 0 "[ . 1]" 1
569 1 67 GLU QB 1 68 LEU H 4.460 . 4.460 3.949 3.696 4.096 . 0 0 "[ . 1]" 1
570 1 67 GLU QB 1 68 LEU QB 5.610 . 5.610 5.328 5.052 5.569 . 0 0 "[ . 1]" 1
571 1 67 GLU QG 1 68 LEU H 5.040 . 5.040 4.050 3.444 4.463 . 0 0 "[ . 1]" 1
572 1 67 GLU QG 1 68 LEU QB 5.610 . 5.610 5.425 4.702 6.154 0.544 3 1 "[ + . 1]" 1
573 1 68 LEU H 1 68 LEU HG 5.150 . 5.150 4.218 2.187 4.698 . 0 0 "[ . 1]" 1
574 1 68 LEU H 1 69 ASN H 5.900 . 5.900 4.577 4.509 4.615 . 0 0 "[ . 1]" 1
575 1 68 LEU QD 1 70 PRO QB 5.190 . 5.190 4.817 2.945 5.558 0.368 5 0 "[ . 1]" 1
576 1 68 LEU QD 1 70 PRO QG 5.070 . 5.070 4.167 2.251 5.337 0.267 9 0 "[ . 1]" 1
577 1 69 ASN QB 1 71 ARG H 5.810 . 5.810 4.440 3.132 5.009 . 0 0 "[ . 1]" 1
578 1 69 ASN QB 1 72 HIS H 5.360 . 5.360 5.069 3.241 5.688 0.328 10 0 "[ . 1]" 1
579 1 70 PRO HA 1 89 THR MG 4.680 . 4.680 3.514 2.548 4.921 0.241 1 0 "[ . 1]" 1
580 1 70 PRO HA 1 93 CYS H 5.680 . 5.680 5.386 4.332 6.027 0.347 8 0 "[ . 1]" 1
581 1 70 PRO QD 1 71 ARG H 4.850 . 4.850 4.469 3.011 4.849 . 0 0 "[ . 1]" 1
582 1 70 PRO QG 1 89 THR MG 5.340 . 5.340 4.480 3.552 5.346 0.006 9 0 "[ . 1]" 1
583 1 70 PRO QG 1 93 CYS H 6.000 . 6.000 5.360 3.039 6.198 0.198 3 0 "[ . 1]" 1
584 1 70 PRO QG 1 93 CYS HA 5.580 . 5.580 3.755 2.165 5.737 0.157 10 0 "[ . 1]" 1
585 1 70 PRO QG 1 94 GLY H 5.730 . 5.730 4.237 2.613 5.896 0.166 7 0 "[ . 1]" 1
586 1 71 ARG H 1 71 ARG QD 5.200 . 5.200 4.858 4.181 5.415 0.215 7 0 "[ . 1]" 1
587 1 71 ARG H 1 72 HIS H 3.890 . 3.890 2.129 1.510 3.621 0.290 4 0 "[ . 1]" 1
588 1 71 ARG H 1 72 HIS HA 6.000 . 6.000 4.534 4.263 5.368 . 0 0 "[ . 1]" 1
589 1 71 ARG H 1 72 HIS QB 5.810 . 5.810 4.520 3.884 5.948 0.138 5 0 "[ . 1]" 1
590 1 71 ARG H 1 89 THR MG 6.000 . 6.000 4.796 3.208 6.089 0.089 5 0 "[ . 1]" 1
591 1 71 ARG HA 1 71 ARG QD 5.100 . 5.100 4.133 3.918 4.469 . 0 0 "[ . 1]" 1
592 1 71 ARG QG 1 72 HIS H 5.620 . 5.620 3.688 2.154 4.280 . 0 0 "[ . 1]" 1
593 1 72 HIS H 1 73 ALA H 5.080 . 5.080 4.357 4.285 4.561 . 0 0 "[ . 1]" 1
594 1 72 HIS H 1 73 ALA MB 6.000 . 6.000 5.522 5.385 5.783 . 0 0 "[ . 1]" 1
595 1 72 HIS H 1 89 THR MG 6.000 . 6.000 5.196 4.237 5.798 . 0 0 "[ . 1]" 1
596 1 72 HIS H 1 91 GLY H 6.000 . 6.000 5.289 4.455 6.003 0.003 7 0 "[ . 1]" 1
597 1 72 HIS H 1 91 GLY HA2 5.400 . 5.400 3.749 2.527 4.706 . 0 0 "[ . 1]" 1
598 1 72 HIS H 1 91 GLY QA 4.610 . 4.610 3.632 2.492 4.473 . 0 0 "[ . 1]" 1
599 1 72 HIS H 1 91 GLY HA3 5.400 . 5.400 4.929 3.707 5.588 0.188 5 0 "[ . 1]" 1
600 1 72 HIS HA 1 91 GLY H 5.020 . 5.020 5.051 4.835 5.150 0.130 9 0 "[ . 1]" 1
601 1 73 ALA H 1 91 GLY HA2 6.000 . 6.000 3.766 2.759 5.138 . 0 0 "[ . 1]" 1
602 1 73 ALA H 1 91 GLY QA 5.250 . 5.250 3.206 2.524 4.421 . 0 0 "[ . 1]" 1
603 1 73 ALA H 1 91 GLY HA3 6.000 . 6.000 3.521 2.859 4.823 . 0 0 "[ . 1]" 1
604 1 73 ALA HA 1 89 THR H 6.000 . 6.000 4.026 3.197 4.923 . 0 0 "[ . 1]" 1
605 1 73 ALA HA 1 90 LEU H 5.150 . 5.150 3.093 2.776 3.696 . 0 0 "[ . 1]" 1
606 1 73 ALA HA 1 90 LEU HA 5.240 . 5.240 3.404 2.464 4.147 . 0 0 "[ . 1]" 1
607 1 73 ALA HA 1 91 GLY H 4.870 . 4.870 2.510 1.942 3.500 . 0 0 "[ . 1]" 1
608 1 73 ALA MB 1 74 GLN H 4.480 . 4.480 2.927 2.722 3.180 . 0 0 "[ . 1]" 1
609 1 73 ALA MB 1 90 LEU H 5.230 . 5.230 3.226 2.470 4.637 . 0 0 "[ . 1]" 1
610 1 73 ALA MB 1 90 LEU HA 4.210 . 4.210 2.496 2.156 3.718 . 0 0 "[ . 1]" 1
611 1 73 ALA MB 1 90 LEU QB 5.090 . 5.090 4.078 3.797 4.966 . 0 0 "[ . 1]" 1
612 1 73 ALA MB 1 90 LEU QD 4.420 . 4.420 3.491 2.485 4.409 . 0 0 "[ . 1]" 1
613 1 73 ALA MB 1 91 GLY H 5.630 . 5.630 3.325 2.688 4.405 . 0 0 "[ . 1]" 1
614 1 74 GLN H 1 75 CYS H 5.070 . 5.070 3.874 3.671 4.232 . 0 0 "[ . 1]" 1
615 1 74 GLN H 1 75 CYS HA 6.000 . 6.000 4.472 4.352 4.679 . 0 0 "[ . 1]" 1
616 1 74 GLN H 1 88 ASP HA 6.000 . 6.000 4.233 3.655 4.747 . 0 0 "[ . 1]" 1
617 1 74 GLN H 1 89 THR H 5.630 . 5.630 2.997 2.498 3.497 . 0 0 "[ . 1]" 1
618 1 74 GLN H 1 90 LEU H 5.700 . 5.700 3.170 2.360 4.097 . 0 0 "[ . 1]" 1
619 1 74 GLN H 1 90 LEU HA 5.540 . 5.540 4.393 3.582 5.588 0.048 9 0 "[ . 1]" 1
620 1 74 GLN H 1 90 LEU QD 5.880 . 5.880 4.639 3.618 5.937 0.057 2 0 "[ . 1]" 1
621 1 74 GLN H 1 91 GLY H 6.000 . 6.000 4.019 3.488 5.311 . 0 0 "[ . 1]" 1
622 1 74 GLN HB2 1 75 CYS H 5.470 . 5.470 4.401 3.921 4.691 . 0 0 "[ . 1]" 1
623 1 74 GLN HB3 1 75 CYS H 5.470 . 5.470 4.174 3.843 4.420 . 0 0 "[ . 1]" 1
624 1 74 GLN QG 1 75 CYS H 4.800 . 4.800 3.501 2.481 4.496 . 0 0 "[ . 1]" 1
625 1 75 CYS H 1 75 CYS QB 3.900 . 3.900 2.477 2.263 2.666 . 0 0 "[ . 1]" 1
626 1 75 CYS H 1 76 VAL H 6.000 . 6.000 4.529 4.365 4.625 . 0 0 "[ . 1]" 1
627 1 75 CYS HA 1 76 VAL QG 5.380 . 5.380 3.399 3.129 3.546 . 0 0 "[ . 1]" 1
628 1 75 CYS HA 1 88 ASP QB 5.390 . 5.390 3.221 2.356 3.877 . 0 0 "[ . 1]" 1
629 1 75 CYS QB 1 76 VAL H 5.380 . 5.380 3.235 2.794 3.690 . 0 0 "[ . 1]" 1
630 1 76 VAL H 1 76 VAL QG 4.160 . 4.160 2.441 2.088 2.734 . 0 0 "[ . 1]" 1
631 1 76 VAL H 1 77 THR H 6.000 . 6.000 4.392 4.330 4.444 . 0 0 "[ . 1]" 1
632 1 76 VAL H 1 87 ALA H 5.460 . 5.460 3.525 3.176 3.790 . 0 0 "[ . 1]" 1
633 1 76 VAL H 1 88 ASP QB 5.810 . 5.810 4.575 3.544 5.338 . 0 0 "[ . 1]" 1
634 1 76 VAL HB 1 77 THR H 4.200 . 4.200 3.813 2.746 4.133 . 0 0 "[ . 1]" 1
635 1 76 VAL QG 1 77 THR H 4.380 . 4.380 2.614 2.226 3.341 . 0 0 "[ . 1]" 1
636 1 76 VAL QG 1 88 ASP HA 4.950 . 4.950 4.337 3.528 4.847 . 0 0 "[ . 1]" 1
637 1 76 VAL QG 1 89 THR H 5.920 . 5.920 5.336 4.751 6.014 0.094 9 0 "[ . 1]" 1
638 1 76 VAL MG1 1 87 ALA H 6.000 . 6.000 5.021 3.729 5.895 . 0 0 "[ . 1]" 1
639 1 76 VAL MG2 1 87 ALA H 6.000 . 6.000 5.050 3.144 5.773 . 0 0 "[ . 1]" 1
640 1 77 THR H 1 77 THR HB 4.200 . 4.200 3.647 2.597 3.827 . 0 0 "[ . 1]" 1
641 1 77 THR H 1 78 LEU H 6.000 . 6.000 4.172 3.974 4.311 . 0 0 "[ . 1]" 1
642 1 77 THR HA 1 86 GLU HA 5.090 . 5.090 3.549 2.997 4.177 . 0 0 "[ . 1]" 1
643 1 77 THR HA 1 87 ALA H 5.340 . 5.340 4.286 3.976 5.145 . 0 0 "[ . 1]" 1
644 1 77 THR HB 1 78 LEU H 6.000 . 6.000 3.768 3.602 4.263 . 0 0 "[ . 1]" 1
645 1 77 THR MG 1 78 LEU H 4.340 . 4.340 4.043 2.950 4.242 . 0 0 "[ . 1]" 1
646 1 77 THR MG 1 86 GLU H 5.690 . 5.690 5.793 5.723 5.861 0.171 5 0 "[ . 1]" 1
647 1 77 THR MG 1 86 GLU HA 5.980 . 5.980 3.589 3.367 3.952 . 0 0 "[ . 1]" 1
648 1 77 THR MG 1 87 ALA H 5.690 . 5.690 4.351 3.912 5.210 . 0 0 "[ . 1]" 1
649 1 78 LEU H 1 79 TYR H 6.000 . 6.000 4.577 4.493 4.631 . 0 0 "[ . 1]" 1
650 1 78 LEU H 1 85 CYS H 5.030 . 5.030 3.988 3.840 4.123 . 0 0 "[ . 1]" 1
651 1 78 LEU H 1 85 CYS QB 4.500 . 4.500 4.461 4.163 4.589 0.089 5 0 "[ . 1]" 1
652 1 78 LEU H 1 86 GLU HA 5.650 . 5.650 4.508 3.592 5.306 . 0 0 "[ . 1]" 1
653 1 78 LEU QB 1 79 TYR H 4.400 . 4.400 2.884 2.571 3.652 . 0 0 "[ . 1]" 1
654 1 78 LEU HB2 1 79 TYR H 5.220 . 5.220 3.911 3.647 4.187 . 0 0 "[ . 1]" 1
655 1 78 LEU HB2 1 85 CYS H 6.000 . 6.000 3.842 3.216 5.505 . 0 0 "[ . 1]" 1
656 1 78 LEU HB3 1 79 TYR H 5.220 . 5.220 2.989 2.628 4.047 . 0 0 "[ . 1]" 1
657 1 78 LEU HB3 1 85 CYS H 6.000 . 6.000 4.935 3.872 5.566 . 0 0 "[ . 1]" 1
658 1 78 LEU QD 1 79 TYR H 4.770 . 4.770 3.665 2.958 4.182 . 0 0 "[ . 1]" 1
659 1 78 LEU QD 1 85 CYS H 5.860 . 5.860 4.533 3.965 4.869 . 0 0 "[ . 1]" 1
660 1 78 LEU QD 1 85 CYS QB 3.820 . 3.820 3.791 3.481 4.008 0.188 7 0 "[ . 1]" 1
661 1 78 LEU MD1 1 79 TYR H 5.490 . 5.490 4.657 3.917 5.085 . 0 0 "[ . 1]" 1
662 1 78 LEU MD2 1 79 TYR H 5.490 . 5.490 3.885 3.061 4.727 . 0 0 "[ . 1]" 1
663 1 79 TYR H 1 79 TYR QD 4.110 . 4.110 2.857 2.331 4.293 0.183 2 0 "[ . 1]" 1
664 1 79 TYR H 1 80 HIS H 5.930 . 5.930 4.227 4.174 4.366 . 0 0 "[ . 1]" 1
665 1 79 TYR HA 1 85 CYS H 5.610 . 5.610 4.659 4.015 5.499 . 0 0 "[ . 1]" 1
666 1 79 TYR QD 1 80 HIS H 5.480 . 5.480 4.240 3.624 4.469 . 0 0 "[ . 1]" 1
667 1 80 HIS H 1 83 PHE H 5.050 . 5.050 3.945 3.716 4.171 . 0 0 "[ . 1]" 1
668 1 80 HIS QB 1 81 ASN HA 4.870 . 4.870 4.749 4.382 5.213 0.343 8 0 "[ . 1]" 1
669 1 80 HIS QB 1 83 PHE H 5.810 . 5.810 5.099 4.565 5.954 0.144 7 0 "[ . 1]" 1
670 1 81 ASN H 1 82 GLY H 6.000 . 6.000 2.640 1.754 3.228 0.046 5 0 "[ . 1]" 1
671 1 81 ASN QB 1 83 PHE H 5.090 . 5.090 3.106 2.950 3.852 . 0 0 "[ . 1]" 1
672 1 81 ASN HB2 1 82 GLY H 6.000 . 6.000 4.421 4.015 4.608 . 0 0 "[ . 1]" 1
673 1 81 ASN HB3 1 82 GLY H 6.000 . 6.000 4.271 3.978 4.584 . 0 0 "[ . 1]" 1
674 1 82 GLY H 1 83 PHE H 3.590 . 3.590 3.013 2.923 3.082 . 0 0 "[ . 1]" 1
675 1 83 PHE H 1 83 PHE QD 4.700 . 4.700 2.576 2.071 4.144 . 0 0 "[ . 1]" 1
676 1 83 PHE H 1 103 THR H 6.000 . 6.000 5.808 5.499 6.056 0.056 4 0 "[ . 1]" 1
677 1 83 PHE HA 1 102 PRO HA 4.940 . 4.940 4.046 3.345 4.535 . 0 0 "[ . 1]" 1
678 1 83 PHE HA 1 103 THR H 4.390 . 4.390 3.474 3.325 3.650 . 0 0 "[ . 1]" 1
679 1 83 PHE QB 1 100 VAL QG 4.940 . 4.940 4.036 3.667 4.852 . 0 0 "[ . 1]" 1
680 1 83 PHE QB 1 101 TYR H 5.740 . 5.740 5.474 5.134 5.780 0.040 5 0 "[ . 1]" 1
681 1 83 PHE HB2 1 103 THR H 6.000 . 6.000 5.782 3.885 6.163 0.163 4 0 "[ . 1]" 1
682 1 83 PHE HB3 1 103 THR H 6.000 . 6.000 5.091 4.323 5.573 . 0 0 "[ . 1]" 1
683 1 83 PHE QD 1 100 VAL QG 5.920 . 5.920 4.056 2.864 4.975 . 0 0 "[ . 1]" 1
684 1 83 PHE QD 1 102 PRO HA 4.740 . 4.740 2.740 2.440 3.377 . 0 0 "[ . 1]" 1
685 1 83 PHE QD 1 102 PRO QB 5.810 . 5.810 3.704 2.790 4.721 . 0 0 "[ . 1]" 1
686 1 84 THR H 1 100 VAL QG 5.730 . 5.730 4.801 4.355 5.745 0.015 6 0 "[ . 1]" 1
687 1 84 THR H 1 101 TYR H 5.100 . 5.100 4.806 4.115 5.149 0.049 5 0 "[ . 1]" 1
688 1 84 THR H 1 102 PRO HA 5.570 . 5.570 4.435 3.841 4.886 . 0 0 "[ . 1]" 1
689 1 84 THR H 1 103 THR H 4.800 . 4.800 4.431 4.158 4.882 0.082 9 0 "[ . 1]" 1
690 1 84 THR H 1 103 THR HA 6.000 . 6.000 5.808 4.658 6.160 0.160 5 0 "[ . 1]" 1
691 1 84 THR HA 1 100 VAL QG 5.920 . 5.920 5.743 5.394 6.363 0.443 9 0 "[ . 1]" 1
692 1 84 THR HA 1 103 THR MG 5.440 . 5.440 5.295 4.147 5.648 0.208 6 0 "[ . 1]" 1
693 1 84 THR HB 1 85 CYS H 6.000 . 6.000 4.056 3.528 4.404 . 0 0 "[ . 1]" 1
694 1 84 THR MG 1 85 CYS H 4.290 . 4.290 3.683 2.949 4.294 0.004 1 0 "[ . 1]" 1
695 1 84 THR MG 1 103 THR MG 5.250 . 5.250 3.887 2.356 5.370 0.120 8 0 "[ . 1]" 1
696 1 85 CYS H 1 86 GLU H 5.850 . 5.850 4.594 4.568 4.631 . 0 0 "[ . 1]" 1
697 1 85 CYS HA 1 99 ALA H 6.000 . 6.000 5.122 4.701 5.499 . 0 0 "[ . 1]" 1
698 1 85 CYS HA 1 100 VAL HA 4.890 . 4.890 2.795 2.421 3.427 . 0 0 "[ . 1]" 1
699 1 85 CYS HA 1 100 VAL MG1 6.000 . 6.000 4.491 3.160 5.783 . 0 0 "[ . 1]" 1
700 1 85 CYS HA 1 100 VAL QG 4.860 . 4.860 3.419 3.120 4.335 . 0 0 "[ . 1]" 1
701 1 85 CYS HA 1 100 VAL MG2 6.000 . 6.000 3.841 3.148 5.319 . 0 0 "[ . 1]" 1
702 1 85 CYS HA 1 101 TYR H 5.150 . 5.150 3.495 2.891 4.341 . 0 0 "[ . 1]" 1
703 1 85 CYS QB 1 101 TYR H 5.810 . 5.810 4.885 3.990 5.564 . 0 0 "[ . 1]" 1
704 1 85 CYS HB2 1 86 GLU H 5.910 . 5.910 4.135 3.994 4.267 . 0 0 "[ . 1]" 1
705 1 85 CYS HB3 1 86 GLU H 5.910 . 5.910 3.515 3.038 4.123 . 0 0 "[ . 1]" 1
706 1 86 GLU H 1 87 ALA H 6.000 . 6.000 4.496 4.422 4.531 . 0 0 "[ . 1]" 1
707 1 86 GLU H 1 98 ILE HB 5.640 . 5.640 5.095 4.714 5.310 . 0 0 "[ . 1]" 1
708 1 86 GLU H 1 98 ILE MG 6.000 . 6.000 5.616 4.760 5.877 . 0 0 "[ . 1]" 1
709 1 86 GLU H 1 99 ALA H 4.890 . 4.890 3.549 3.164 3.825 . 0 0 "[ . 1]" 1
710 1 86 GLU H 1 99 ALA MB 6.000 . 6.000 3.931 3.378 4.292 . 0 0 "[ . 1]" 1
711 1 86 GLU H 1 100 VAL QG 5.380 . 5.380 4.522 4.029 5.332 . 0 0 "[ . 1]" 1
712 1 86 GLU HA 1 99 ALA H 6.000 . 6.000 5.298 4.977 5.534 . 0 0 "[ . 1]" 1
713 1 86 GLU QB 1 87 ALA H 5.620 . 5.620 3.371 2.987 3.726 . 0 0 "[ . 1]" 1
714 1 86 GLU QB 1 99 ALA HA 5.660 . 5.660 5.555 5.281 5.724 0.064 1 0 "[ . 1]" 1
715 1 86 GLU QB 1 100 VAL H 6.000 . 6.000 5.999 5.712 6.162 0.162 9 0 "[ . 1]" 1
716 1 86 GLU QG 1 87 ALA H 5.430 . 5.430 3.338 2.404 4.596 . 0 0 "[ . 1]" 1
717 1 87 ALA H 1 98 ILE MG 6.000 . 6.000 4.786 4.348 5.286 . 0 0 "[ . 1]" 1
718 1 87 ALA HA 1 98 ILE HA 4.830 . 4.830 2.726 2.462 3.097 . 0 0 "[ . 1]" 1
719 1 87 ALA HA 1 98 ILE HB 6.000 . 6.000 3.972 3.562 4.779 . 0 0 "[ . 1]" 1
720 1 87 ALA HA 1 98 ILE MG 4.580 . 4.580 2.533 2.276 3.691 . 0 0 "[ . 1]" 1
721 1 87 ALA MB 1 88 ASP H 4.480 . 4.480 2.807 2.696 3.071 . 0 0 "[ . 1]" 1
722 1 87 ALA MB 1 98 ILE HA 5.770 . 5.770 3.708 2.905 4.165 . 0 0 "[ . 1]" 1
723 1 87 ALA MB 1 98 ILE MG 4.970 . 4.970 2.221 2.106 2.396 . 0 0 "[ . 1]" 1
724 1 88 ASP H 1 89 THR MG 6.000 . 6.000 5.300 4.469 6.164 0.164 7 0 "[ . 1]" 1
725 1 88 ASP H 1 96 VAL HA 6.000 . 6.000 5.358 4.715 5.701 . 0 0 "[ . 1]" 1
726 1 88 ASP H 1 97 TYR H 5.120 . 5.120 4.133 3.734 4.632 . 0 0 "[ . 1]" 1
727 1 88 ASP H 1 97 TYR QB 5.810 . 5.810 4.504 3.871 5.546 . 0 0 "[ . 1]" 1
728 1 88 ASP H 1 98 ILE HA 5.490 . 5.490 3.948 3.587 4.587 . 0 0 "[ . 1]" 1
729 1 88 ASP H 1 98 ILE MG 5.020 . 5.020 3.378 2.908 4.613 . 0 0 "[ . 1]" 1
730 1 88 ASP HA 1 90 LEU H 5.730 . 5.730 3.909 3.700 4.176 . 0 0 "[ . 1]" 1
731 1 88 ASP QB 1 90 LEU QD 4.690 . 4.690 2.416 1.935 3.672 . 0 0 "[ . 1]" 1
732 1 88 ASP QB 1 90 LEU HG 5.290 . 5.290 3.930 2.646 5.492 0.202 2 0 "[ . 1]" 1
733 1 88 ASP HB2 1 89 THR H 6.000 . 6.000 3.743 2.792 4.293 . 0 0 "[ . 1]" 1
734 1 88 ASP HB2 1 90 LEU H 6.000 . 6.000 3.893 2.625 5.144 . 0 0 "[ . 1]" 1
735 1 88 ASP HB2 1 90 LEU MD2 5.900 . 5.900 4.023 2.388 5.129 . 0 0 "[ . 1]" 1
736 1 88 ASP HB2 1 90 LEU HG 6.000 . 6.000 4.735 2.998 6.231 0.231 2 0 "[ . 1]" 1
737 1 88 ASP HB3 1 89 THR H 6.000 . 6.000 3.678 3.035 4.114 . 0 0 "[ . 1]" 1
738 1 88 ASP HB3 1 90 LEU H 6.000 . 6.000 3.804 2.849 4.681 . 0 0 "[ . 1]" 1
739 1 88 ASP HB3 1 90 LEU HG 6.000 . 6.000 4.570 2.679 6.142 0.142 9 0 "[ . 1]" 1
740 1 89 THR H 1 89 THR MG 4.650 . 4.650 3.093 2.283 3.850 . 0 0 "[ . 1]" 1
741 1 89 THR H 1 90 LEU H 4.660 . 4.660 2.294 2.090 2.438 . 0 0 "[ . 1]" 1
742 1 89 THR H 1 90 LEU HA 6.000 . 6.000 4.520 4.296 4.679 . 0 0 "[ . 1]" 1
743 1 89 THR H 1 91 GLY H 6.000 . 6.000 4.013 3.758 4.549 . 0 0 "[ . 1]" 1
744 1 89 THR HA 1 92 SER H 6.000 . 6.000 4.099 3.603 4.319 . 0 0 "[ . 1]" 1
745 1 89 THR HA 1 96 VAL H 6.000 . 6.000 5.993 5.419 6.250 0.250 2 0 "[ . 1]" 1
746 1 89 THR HA 1 96 VAL HA 4.790 . 4.790 3.182 2.562 3.519 . 0 0 "[ . 1]" 1
747 1 89 THR HA 1 96 VAL QG 5.200 . 5.200 3.062 2.607 3.492 . 0 0 "[ . 1]" 1
748 1 89 THR HA 1 97 TYR H 5.810 . 5.810 3.828 3.439 4.351 . 0 0 "[ . 1]" 1
749 1 89 THR HB 1 90 LEU H 6.000 . 6.000 3.494 2.566 4.132 . 0 0 "[ . 1]" 1
750 1 89 THR HB 1 92 SER H 6.000 . 6.000 3.639 2.942 4.263 . 0 0 "[ . 1]" 1
751 1 89 THR MG 1 91 GLY H 6.000 . 6.000 3.423 2.551 4.188 . 0 0 "[ . 1]" 1
752 1 89 THR MG 1 92 SER H 6.000 . 6.000 3.575 1.963 4.931 . 0 0 "[ . 1]" 1
753 1 89 THR MG 1 96 VAL H 5.980 . 5.980 5.826 5.570 6.148 0.168 6 0 "[ . 1]" 1
754 1 89 THR MG 1 96 VAL HA 5.890 . 5.890 3.870 3.606 4.384 . 0 0 "[ . 1]" 1
755 1 89 THR MG 1 96 VAL MG1 4.640 . 4.640 3.233 2.339 4.792 0.152 3 0 "[ . 1]" 1
756 1 89 THR MG 1 96 VAL QG 3.900 . 3.900 2.684 2.269 3.221 . 0 0 "[ . 1]" 1
757 1 89 THR MG 1 96 VAL MG2 4.640 . 4.640 3.556 2.530 4.915 0.275 9 0 "[ . 1]" 1
758 1 89 THR MG 1 97 TYR H 5.950 . 5.950 5.040 4.459 5.649 . 0 0 "[ . 1]" 1
759 1 90 LEU H 1 90 LEU QD 4.660 . 4.660 2.597 2.141 3.597 . 0 0 "[ . 1]" 1
760 1 90 LEU H 1 91 GLY H 4.830 . 4.830 2.697 2.626 2.804 . 0 0 "[ . 1]" 1
761 1 90 LEU HA 1 90 LEU QD 4.010 . 4.010 2.408 2.175 3.514 . 0 0 "[ . 1]" 1
762 1 90 LEU QB 1 92 SER QB 5.810 . 5.810 3.311 2.717 4.367 . 0 0 "[ . 1]" 1
763 1 90 LEU QB 1 97 TYR QD 5.810 . 5.810 3.738 2.591 5.964 0.154 2 0 "[ . 1]" 1
764 1 90 LEU QB 1 97 TYR QE 3.800 . 3.800 3.557 2.951 4.048 0.248 2 0 "[ . 1]" 1
765 1 90 LEU HB2 1 91 GLY H 6.000 . 6.000 4.016 3.737 4.607 . 0 0 "[ . 1]" 1
766 1 90 LEU HB3 1 91 GLY H 6.000 . 6.000 4.373 4.190 4.526 . 0 0 "[ . 1]" 1
767 1 90 LEU HB3 1 92 SER H 6.000 . 6.000 4.149 3.659 4.636 . 0 0 "[ . 1]" 1
768 1 90 LEU QD 1 91 GLY H 5.870 . 5.870 4.213 4.033 4.378 . 0 0 "[ . 1]" 1
769 1 90 LEU QD 1 92 SER H 5.920 . 5.920 4.388 3.273 4.602 . 0 0 "[ . 1]" 1
770 1 90 LEU QD 1 97 TYR QB 5.730 . 5.730 3.414 2.434 5.246 . 0 0 "[ . 1]" 1
771 1 90 LEU QD 1 97 TYR QD 3.970 . 3.970 2.792 2.149 3.737 . 0 0 "[ . 1]" 1
772 1 90 LEU QD 1 97 TYR QE 4.250 . 4.250 3.264 2.038 4.275 0.025 3 0 "[ . 1]" 1
773 1 91 GLY H 1 92 SER H 4.700 . 4.700 2.430 2.267 2.765 . 0 0 "[ . 1]" 1
774 1 91 GLY H 1 92 SER QB 6.000 . 6.000 4.375 3.983 4.667 . 0 0 "[ . 1]" 1
775 1 92 SER H 1 93 CYS H 4.730 . 4.730 3.846 2.890 4.607 . 0 0 "[ . 1]" 1
776 1 92 SER QB 1 95 TYR H 5.480 . 5.480 3.390 2.561 3.859 . 0 0 "[ . 1]" 1
777 1 92 SER QB 1 95 TYR QD 6.000 . 6.000 3.950 2.889 4.836 . 0 0 "[ . 1]" 1
778 1 92 SER QB 1 96 VAL H 6.000 . 6.000 5.220 4.080 6.049 0.049 10 0 "[ . 1]" 1
779 1 92 SER QB 1 97 TYR QE 3.710 . 3.710 2.780 2.385 3.947 0.237 2 0 "[ . 1]" 1
780 1 93 CYS H 1 94 GLY H 4.960 . 4.960 3.420 1.894 4.498 . 0 0 "[ . 1]" 1
781 1 93 CYS HB2 1 94 GLY H 6.000 . 6.000 4.172 3.764 4.632 . 0 0 "[ . 1]" 1
782 1 93 CYS HB3 1 94 GLY H 6.000 . 6.000 4.093 2.647 4.649 . 0 0 "[ . 1]" 1
783 1 94 GLY H 1 95 TYR H 4.170 . 4.170 2.439 1.619 2.701 0.181 6 0 "[ . 1]" 1
784 1 94 GLY H 1 95 TYR HA 6.000 . 6.000 4.959 4.226 5.303 . 0 0 "[ . 1]" 1
785 1 94 GLY H 1 95 TYR QB 5.810 . 5.810 4.640 3.846 4.943 . 0 0 "[ . 1]" 1
786 1 95 TYR H 1 96 VAL MG1 6.000 . 6.000 5.166 3.429 6.276 0.276 5 0 "[ . 1]" 1
787 1 95 TYR H 1 96 VAL MG2 6.000 . 6.000 4.338 3.342 5.757 . 0 0 "[ . 1]" 1
788 1 95 TYR HA 1 95 TYR QD 3.490 . 3.490 2.592 2.425 2.901 . 0 0 "[ . 1]" 1
789 1 95 TYR HA 1 95 TYR QE 4.740 . 4.740 4.466 4.363 4.576 . 0 0 "[ . 1]" 1
790 1 95 TYR HA 1 96 VAL QG 5.920 . 5.920 3.263 3.062 3.474 . 0 0 "[ . 1]" 1
791 1 95 TYR HB2 1 96 VAL H 5.480 . 5.480 3.991 3.586 4.310 . 0 0 "[ . 1]" 1
792 1 95 TYR HB3 1 96 VAL H 5.480 . 5.480 2.947 2.312 3.523 . 0 0 "[ . 1]" 1
793 1 95 TYR QD 1 96 VAL H 4.780 . 4.780 3.734 3.184 4.075 . 0 0 "[ . 1]" 1
794 1 95 TYR QD 1 96 VAL QG 5.920 . 5.920 4.817 4.437 5.151 . 0 0 "[ . 1]" 1
795 1 96 VAL H 1 97 TYR H 6.000 . 6.000 4.263 4.037 4.337 . 0 0 "[ . 1]" 1
796 1 96 VAL H 1 97 TYR HA 6.000 . 6.000 4.803 4.571 5.034 . 0 0 "[ . 1]" 1
797 1 96 VAL H 1 97 TYR QD 6.000 . 6.000 4.759 4.580 5.124 . 0 0 "[ . 1]" 1
798 1 96 VAL HA 1 97 TYR QD 6.000 . 6.000 3.616 3.013 4.316 . 0 0 "[ . 1]" 1
799 1 96 VAL HB 1 97 TYR H 6.000 . 6.000 3.901 3.057 4.354 . 0 0 "[ . 1]" 1
800 1 96 VAL QG 1 97 TYR H 4.700 . 4.700 3.011 2.432 3.484 . 0 0 "[ . 1]" 1
801 1 97 TYR H 1 97 TYR QD 4.410 . 4.410 2.557 2.002 3.225 . 0 0 "[ . 1]" 1
802 1 97 TYR H 1 98 ILE H 6.000 . 6.000 4.439 4.273 4.606 . 0 0 "[ . 1]" 1
803 1 97 TYR HA 1 97 TYR QD 4.310 . 4.310 2.927 2.407 3.735 . 0 0 "[ . 1]" 1
804 1 97 TYR HB2 1 98 ILE H 6.000 . 6.000 3.905 2.441 4.228 . 0 0 "[ . 1]" 1
805 1 97 TYR HB3 1 98 ILE H 6.000 . 6.000 3.353 3.134 3.682 . 0 0 "[ . 1]" 1
806 1 98 ILE H 1 98 ILE QG . . 4.370 2.290 2.254 2.376 . 0 0 "[ . 1]" 1
807 1 98 ILE H 1 98 ILE MG 4.790 . 4.790 3.031 2.905 3.190 . 0 0 "[ . 1]" 1
808 1 98 ILE HA 1 99 ALA MB 6.000 . 6.000 3.841 3.818 3.862 . 0 0 "[ . 1]" 1
809 1 98 ILE HB 1 99 ALA H 4.460 . 4.460 2.513 2.419 2.632 . 0 0 "[ . 1]" 1
810 1 98 ILE MD 1 99 ALA H 4.750 . 4.750 4.337 4.186 4.881 0.131 9 0 "[ . 1]" 1
811 1 98 ILE MD 1 99 ALA HA 6.000 . 6.000 4.978 4.873 5.629 . 0 0 "[ . 1]" 1
812 1 98 ILE QG 1 99 ALA H 5.460 . 5.460 3.688 3.544 3.957 . 0 0 "[ . 1]" 1
813 1 98 ILE MG 1 99 ALA H 5.390 . 5.390 3.689 3.517 3.754 . 0 0 "[ . 1]" 1
814 1 99 ALA HA 1 100 VAL HB 6.000 . 6.000 4.585 4.272 5.562 . 0 0 "[ . 1]" 1
815 1 99 ALA HA 1 100 VAL MG1 6.000 . 6.000 4.269 3.283 5.444 . 0 0 "[ . 1]" 1
816 1 99 ALA HA 1 100 VAL MG2 6.000 . 6.000 4.403 3.228 5.474 . 0 0 "[ . 1]" 1
817 1 99 ALA MB 1 100 VAL H 4.750 . 4.750 2.929 2.631 3.363 . 0 0 "[ . 1]" 1
818 1 99 ALA MB 1 100 VAL QG 5.580 . 5.580 4.067 3.725 4.327 . 0 0 "[ . 1]" 1
819 1 99 ALA MB 1 101 TYR H 6.000 . 6.000 5.114 4.992 5.320 . 0 0 "[ . 1]" 1
820 1 100 VAL H 1 101 TYR H 5.760 . 5.760 4.418 4.347 4.552 . 0 0 "[ . 1]" 1
821 1 100 VAL HB 1 101 TYR H 6.000 . 6.000 4.041 3.139 4.230 . 0 0 "[ . 1]" 1
822 1 100 VAL HB 1 101 TYR HA 6.000 . 6.000 5.221 4.421 5.879 . 0 0 "[ . 1]" 1
823 1 100 VAL QG 1 101 TYR H 4.300 . 4.300 2.644 2.385 3.498 . 0 0 "[ . 1]" 1
824 1 100 VAL QG 1 101 TYR HA 5.920 . 5.920 3.474 3.232 3.865 . 0 0 "[ . 1]" 1
825 1 103 THR HA 1 105 ARG H 6.000 . 6.000 4.744 4.003 5.801 . 0 0 "[ . 1]" 1
826 1 103 THR HB 1 104 GLN H 5.190 . 5.190 3.444 2.925 4.045 . 0 0 "[ . 1]" 1
827 1 103 THR MG 1 104 GLN H 4.760 . 4.760 3.810 2.547 4.040 . 0 0 "[ . 1]" 1
828 1 103 THR MG 1 104 GLN HA 5.940 . 5.940 5.232 4.290 5.745 . 0 0 "[ . 1]" 1
829 1 103 THR MG 1 105 ARG H 6.000 . 6.000 4.474 1.914 5.832 . 0 0 "[ . 1]" 1
830 1 104 GLN H 1 105 ARG H 5.730 . 5.730 3.398 2.442 4.445 . 0 0 "[ . 1]" 1
831 1 104 GLN QB 1 105 ARG H 6.000 . 6.000 3.128 2.156 4.061 . 0 0 "[ . 1]" 1
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