NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438685 |
2k5c   |
15828 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k5c
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 944
_Distance_constraint_stats_list.Viol_count 826
_Distance_constraint_stats_list.Viol_total 1248.961
_Distance_constraint_stats_list.Viol_max 0.583
_Distance_constraint_stats_list.Viol_rms 0.0534
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0132
_Distance_constraint_stats_list.Viol_average_violations_only 0.1512
_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 8 MET 0.000 0.000 . 0 "[ . 1]"
1 9 ALA 0.000 0.000 . 0 "[ . 1]"
1 10 LYS 2.510 0.290 2 0 "[ . 1]"
1 11 CYS 7.479 0.339 1 0 "[ . 1]"
1 12 PRO 0.000 0.000 . 0 "[ . 1]"
1 13 ILE 5.161 0.365 3 0 "[ . 1]"
1 14 CYS 3.416 0.339 1 0 "[ . 1]"
1 15 GLY 1.090 0.148 9 0 "[ . 1]"
1 16 SER 3.909 0.365 3 0 "[ . 1]"
1 17 PRO 0.000 0.000 . 0 "[ . 1]"
1 18 LEU 4.967 0.374 3 0 "[ . 1]"
1 19 LYS 0.055 0.047 7 0 "[ . 1]"
1 20 TRP 3.920 0.277 1 0 "[ . 1]"
1 21 GLU 0.186 0.084 8 0 "[ . 1]"
1 22 GLU 3.938 0.374 3 0 "[ . 1]"
1 23 LEU 4.991 0.306 9 0 "[ . 1]"
1 24 ILE 2.303 0.308 1 0 "[ . 1]"
1 25 GLU 2.420 0.159 5 0 "[ . 1]"
1 26 GLU 9.692 0.486 8 0 "[ . 1]"
1 27 MET 8.121 0.422 8 0 "[ . 1]"
1 28 LEU 0.397 0.103 10 0 "[ . 1]"
1 29 ILE 4.538 0.313 3 0 "[ . 1]"
1 30 ILE 4.807 0.256 6 0 "[ . 1]"
1 31 GLU 2.262 0.540 10 1 "[ . +]"
1 32 ASN 0.001 0.001 3 0 "[ . 1]"
1 33 PHE 6.507 0.392 7 0 "[ . 1]"
1 34 GLU 0.496 0.098 7 0 "[ . 1]"
1 35 GLU 3.855 0.293 1 0 "[ . 1]"
1 36 ILE 3.677 0.252 5 0 "[ . 1]"
1 37 VAL 3.445 0.252 5 0 "[ . 1]"
1 38 LYS 1.077 0.154 2 0 "[ . 1]"
1 39 ASP 2.507 0.244 7 0 "[ . 1]"
1 40 ARG 5.083 0.407 5 0 "[ . 1]"
1 41 GLU 3.717 0.175 7 0 "[ . 1]"
1 42 ARG 0.000 0.000 . 0 "[ . 1]"
1 43 PHE 5.782 0.392 7 0 "[ . 1]"
1 44 LEU 2.096 0.313 7 0 "[ . 1]"
1 45 ALA 4.661 0.237 8 0 "[ . 1]"
1 46 GLN 0.902 0.173 7 0 "[ . 1]"
1 47 VAL 3.093 0.191 5 0 "[ . 1]"
1 48 GLU 3.857 0.237 8 0 "[ . 1]"
1 49 GLU 0.789 0.173 7 0 "[ . 1]"
1 50 PHE 1.398 0.425 8 0 "[ . 1]"
1 51 VAL 7.597 0.583 2 2 "[ + . -1]"
1 52 PHE 4.341 0.314 2 0 "[ . 1]"
1 53 LYS 2.186 0.267 3 0 "[ . 1]"
1 54 CYS 0.761 0.269 2 0 "[ . 1]"
1 55 PRO 0.000 0.000 . 0 "[ . 1]"
1 56 VAL 2.079 0.256 10 0 "[ . 1]"
1 57 CYS 0.000 0.000 . 0 "[ . 1]"
1 58 GLY 2.079 0.256 10 0 "[ . 1]"
1 59 GLU 0.019 0.019 6 0 "[ . 1]"
1 60 GLU 4.005 0.583 2 1 "[ + . 1]"
1 61 PHE 0.014 0.014 1 0 "[ . 1]"
1 62 TYR 6.388 0.355 7 0 "[ . 1]"
1 63 GLY 1.010 0.249 9 0 "[ . 1]"
1 64 LYS 1.619 0.186 8 0 "[ . 1]"
1 65 THR 1.803 0.272 4 0 "[ . 1]"
1 66 LEU 2.642 0.277 1 0 "[ . 1]"
1 68 ARG 0.000 0.000 . 0 "[ . 1]"
1 69 ARG 0.000 0.000 . 0 "[ . 1]"
1 70 GLU 0.631 0.116 5 0 "[ . 1]"
1 71 ALA 0.871 0.118 1 0 "[ . 1]"
1 72 GLU 0.000 0.000 . 0 "[ . 1]"
1 73 LYS 0.000 0.000 . 0 "[ . 1]"
1 74 VAL 2.614 0.315 7 0 "[ . 1]"
1 75 PHE 2.425 0.407 5 0 "[ . 1]"
1 76 GLU 8.654 0.414 7 0 "[ . 1]"
1 77 LEU 19.260 0.414 7 0 "[ . 1]"
1 78 LEU 3.627 0.234 5 0 "[ . 1]"
1 79 ASN 3.282 0.264 9 0 "[ . 1]"
1 80 ASP 3.344 0.327 7 0 "[ . 1]"
1 81 PHE 3.618 0.327 7 0 "[ . 1]"
1 82 LYS 0.000 0.000 . 0 "[ . 1]"
1 83 GLY 0.244 0.134 3 0 "[ . 1]"
1 84 GLY 1.733 0.229 4 0 "[ . 1]"
1 85 ILE 0.487 0.134 3 0 "[ . 1]"
1 86 ASP 0.363 0.063 6 0 "[ . 1]"
1 87 TRP 0.281 0.098 4 0 "[ . 1]"
1 88 GLU 0.000 0.000 . 0 "[ . 1]"
1 89 ASN 0.000 0.000 . 0 "[ . 1]"
1 90 LYS 0.273 0.035 1 0 "[ . 1]"
1 91 ARG 0.212 0.063 6 0 "[ . 1]"
1 92 VAL 1.341 0.159 7 0 "[ . 1]"
1 93 LYS 1.498 0.229 4 0 "[ . 1]"
1 94 LEU 4.841 0.315 7 0 "[ . 1]"
1 95 LYS 2.410 0.261 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 MET HA 1 9 ALA H 3.190 . 3.190 2.127 2.104 2.144 . 0 0 "[ . 1]" 1
2 1 8 MET HA 1 19 LYS HA 4.730 . 4.730 4.129 3.728 4.627 . 0 0 "[ . 1]" 1
3 1 8 MET HA 1 20 TRP H 4.520 . 4.520 4.103 3.707 4.387 . 0 0 "[ . 1]" 1
4 1 9 ALA H 1 9 ALA MB 3.480 . 3.480 2.333 2.276 2.390 . 0 0 "[ . 1]" 1
5 1 9 ALA H 1 10 LYS H 4.690 . 4.690 4.481 4.460 4.514 . 0 0 "[ . 1]" 1
6 1 9 ALA H 1 18 LEU H 4.410 . 4.410 3.301 2.996 3.484 . 0 0 "[ . 1]" 1
7 1 9 ALA H 1 18 LEU QB 5.810 . 5.810 3.229 2.858 3.673 . 0 0 "[ . 1]" 1
8 1 9 ALA HA 1 10 LYS H 2.720 . 2.720 2.179 2.166 2.211 . 0 0 "[ . 1]" 1
9 1 9 ALA HA 1 20 TRP HE1 4.860 . 4.860 3.627 2.777 4.526 . 0 0 "[ . 1]" 1
10 1 9 ALA MB 1 10 LYS H 3.050 . 3.050 2.859 2.812 2.883 . 0 0 "[ . 1]" 1
11 1 9 ALA MB 1 18 LEU H 5.110 . 5.110 3.824 3.459 3.995 . 0 0 "[ . 1]" 1
12 1 9 ALA MB 1 20 TRP HA 5.250 . 5.250 4.435 3.893 5.113 . 0 0 "[ . 1]" 1
13 1 9 ALA MB 1 20 TRP HE1 3.610 . 3.610 2.971 2.197 3.598 . 0 0 "[ . 1]" 1
14 1 9 ALA MB 1 20 TRP HZ2 5.450 . 5.450 3.394 3.227 3.720 . 0 0 "[ . 1]" 1
15 1 9 ALA MB 1 23 LEU QD 4.020 . 4.020 3.081 2.527 3.553 . 0 0 "[ . 1]" 1
16 1 10 LYS H 1 10 LYS QB 3.590 . 3.590 2.405 2.310 2.545 . 0 0 "[ . 1]" 1
17 1 10 LYS H 1 11 CYS H 4.180 . 4.180 4.431 4.385 4.470 0.290 2 0 "[ . 1]" 1
18 1 10 LYS HA 1 11 CYS H 3.070 . 3.070 2.170 2.157 2.186 . 0 0 "[ . 1]" 1
19 1 10 LYS HA 1 18 LEU H 5.650 . 5.650 3.722 3.556 3.942 . 0 0 "[ . 1]" 1
20 1 10 LYS QB 1 11 CYS H 3.710 . 3.710 3.060 3.003 3.304 . 0 0 "[ . 1]" 1
21 1 10 LYS QB 1 15 GLY QA 4.620 . 4.620 3.285 2.927 3.741 . 0 0 "[ . 1]" 1
22 1 10 LYS QB 1 18 LEU H 5.810 . 5.810 5.468 5.317 5.685 . 0 0 "[ . 1]" 1
23 1 11 CYS H 1 11 CYS HB2 3.090 . 3.090 2.555 2.494 2.610 . 0 0 "[ . 1]" 1
24 1 11 CYS H 1 12 PRO QD 5.810 . 5.810 4.546 4.480 4.642 . 0 0 "[ . 1]" 1
25 1 11 CYS H 1 13 ILE H 5.800 . 5.800 5.470 5.376 5.799 . 0 0 "[ . 1]" 1
26 1 11 CYS H 1 14 CYS H 6.000 . 6.000 5.277 5.195 5.348 . 0 0 "[ . 1]" 1
27 1 11 CYS H 1 15 GLY H 4.500 . 4.500 3.771 3.622 3.905 . 0 0 "[ . 1]" 1
28 1 11 CYS H 1 16 SER H 4.090 . 4.090 3.034 2.740 3.240 . 0 0 "[ . 1]" 1
29 1 11 CYS H 1 18 LEU QD 3.880 . 3.880 2.838 2.623 3.068 . 0 0 "[ . 1]" 1
30 1 11 CYS H 1 18 LEU HG 4.550 . 4.550 4.653 4.594 4.695 0.145 6 0 "[ . 1]" 1
31 1 11 CYS HA 1 12 PRO HD2 3.500 . 3.500 2.634 2.392 3.168 . 0 0 "[ . 1]" 1
32 1 11 CYS HA 1 12 PRO QD 3.000 . 3.000 2.222 2.189 2.252 . 0 0 "[ . 1]" 1
33 1 11 CYS HA 1 12 PRO HD3 3.500 . 3.500 2.495 2.233 2.670 . 0 0 "[ . 1]" 1
34 1 11 CYS HA 1 13 ILE H 5.570 . 5.570 3.851 3.763 3.919 . 0 0 "[ . 1]" 1
35 1 11 CYS HA 1 14 CYS H 5.570 . 5.570 4.782 4.727 4.849 . 0 0 "[ . 1]" 1
36 1 11 CYS HA 1 18 LEU QD 4.320 . 4.320 3.174 2.946 3.301 . 0 0 "[ . 1]" 1
37 1 11 CYS HB2 1 13 ILE H 4.730 . 4.730 4.562 4.447 4.909 0.179 9 0 "[ . 1]" 1
38 1 11 CYS HB2 1 14 CYS H 3.830 . 3.830 4.117 4.065 4.169 0.339 1 0 "[ . 1]" 1
39 1 11 CYS HB2 1 16 SER H 3.060 . 3.060 3.149 3.057 3.261 0.201 9 0 "[ . 1]" 1
40 1 12 PRO QD 1 13 ILE H 3.900 . 3.900 2.860 2.552 3.066 . 0 0 "[ . 1]" 1
41 1 12 PRO QD 1 13 ILE MD 4.990 . 4.990 2.625 2.405 2.835 . 0 0 "[ . 1]" 1
42 1 12 PRO QD 1 18 LEU QD 5.160 . 5.160 4.280 4.061 4.420 . 0 0 "[ . 1]" 1
43 1 12 PRO HD2 1 13 ILE H 4.750 . 4.750 2.925 2.589 3.151 . 0 0 "[ . 1]" 1
44 1 12 PRO HD3 1 13 ILE H 4.750 . 4.750 4.051 3.850 4.202 . 0 0 "[ . 1]" 1
45 1 13 ILE H 1 13 ILE HB 3.160 . 3.160 2.721 2.665 2.776 . 0 0 "[ . 1]" 1
46 1 13 ILE H 1 13 ILE MD 3.600 . 3.600 2.623 2.240 2.815 . 0 0 "[ . 1]" 1
47 1 13 ILE H 1 13 ILE QG 3.280 . 3.280 2.592 2.389 2.723 . 0 0 "[ . 1]" 1
48 1 13 ILE H 1 15 GLY H 4.720 . 4.720 3.690 3.526 4.329 . 0 0 "[ . 1]" 1
49 1 13 ILE H 1 15 GLY QA 5.810 . 5.810 4.827 4.661 5.256 . 0 0 "[ . 1]" 1
50 1 13 ILE HA 1 13 ILE MD 4.710 . 4.710 3.927 3.816 4.008 . 0 0 "[ . 1]" 1
51 1 13 ILE HA 1 13 ILE MG 3.010 . 3.010 2.412 2.336 2.474 . 0 0 "[ . 1]" 1
52 1 13 ILE HB 1 14 CYS H 3.290 . 3.290 2.508 2.468 2.590 . 0 0 "[ . 1]" 1
53 1 13 ILE HB 1 15 GLY H 4.540 . 4.540 4.649 4.614 4.688 0.148 9 0 "[ . 1]" 1
54 1 13 ILE HB 1 16 SER H 6.000 . 6.000 6.302 6.267 6.365 0.365 3 0 "[ . 1]" 1
55 1 13 ILE MD 1 59 GLU QB 3.700 . 3.700 2.207 2.084 2.303 . 0 0 "[ . 1]" 1
56 1 13 ILE MD 1 60 GLU H 5.560 . 5.560 4.148 3.626 4.520 . 0 0 "[ . 1]" 1
57 1 13 ILE MD 1 61 PHE HA 6.000 . 6.000 3.892 3.202 4.620 . 0 0 "[ . 1]" 1
58 1 13 ILE MD 1 61 PHE QB 4.300 . 4.300 2.431 2.124 2.823 . 0 0 "[ . 1]" 1
59 1 13 ILE MD 1 61 PHE QD 6.000 . 6.000 2.513 2.239 2.720 . 0 0 "[ . 1]" 1
60 1 13 ILE MD 1 61 PHE HZ 6.000 . 6.000 5.656 5.296 6.014 0.014 1 0 "[ . 1]" 1
61 1 13 ILE MD 1 62 TYR H 6.000 . 6.000 5.601 5.051 6.107 0.107 5 0 "[ . 1]" 1
62 1 13 ILE QG 1 13 ILE MG 3.090 . 3.090 2.006 1.808 2.073 . 0 0 "[ . 1]" 1
63 1 13 ILE QG 1 14 CYS H 4.600 . 4.600 4.185 4.068 4.340 . 0 0 "[ . 1]" 1
64 1 13 ILE QG 1 61 PHE QB 4.050 . 4.050 3.588 3.151 3.894 . 0 0 "[ . 1]" 1
65 1 13 ILE MG 1 14 CYS H 3.630 . 3.630 3.685 3.659 3.727 0.097 10 0 "[ . 1]" 1
66 1 13 ILE MG 1 14 CYS HA 5.000 . 5.000 4.055 3.990 4.189 . 0 0 "[ . 1]" 1
67 1 13 ILE MG 1 14 CYS QB 5.060 . 5.060 3.771 3.667 3.840 . 0 0 "[ . 1]" 1
68 1 13 ILE MG 1 57 CYS QB 3.990 . 3.990 3.004 2.368 3.799 . 0 0 "[ . 1]" 1
69 1 13 ILE MG 1 59 GLU H 4.920 . 4.920 4.208 3.607 4.501 . 0 0 "[ . 1]" 1
70 1 13 ILE MG 1 59 GLU QB 3.390 . 3.390 2.569 2.202 3.193 . 0 0 "[ . 1]" 1
71 1 14 CYS H 1 15 GLY H 3.400 . 3.400 2.188 2.163 2.207 . 0 0 "[ . 1]" 1
72 1 14 CYS H 1 15 GLY QA 4.870 . 4.870 4.073 4.003 4.114 . 0 0 "[ . 1]" 1
73 1 14 CYS H 1 16 SER H 4.290 . 4.290 4.079 3.989 4.171 . 0 0 "[ . 1]" 1
74 1 14 CYS HA 1 16 SER H 5.480 . 5.480 5.105 4.992 5.196 . 0 0 "[ . 1]" 1
75 1 15 GLY H 1 16 SER H 3.580 . 3.580 2.303 2.169 2.369 . 0 0 "[ . 1]" 1
76 1 15 GLY H 1 16 SER HA 5.840 . 5.840 4.975 4.870 5.030 . 0 0 "[ . 1]" 1
77 1 16 SER H 1 16 SER QB 2.880 . 2.880 2.307 2.114 2.755 . 0 0 "[ . 1]" 1
78 1 16 SER H 1 56 VAL HB 6.000 . 6.000 5.080 4.862 5.371 . 0 0 "[ . 1]" 1
79 1 16 SER H 1 56 VAL QG 5.050 . 5.050 3.938 3.682 4.115 . 0 0 "[ . 1]" 1
80 1 16 SER HA 1 56 VAL QG 5.130 . 5.130 4.054 3.866 4.222 . 0 0 "[ . 1]" 1
81 1 16 SER QB 1 56 VAL QG 3.140 . 3.140 2.037 1.920 2.137 . 0 0 "[ . 1]" 1
82 1 17 PRO HA 1 18 LEU H 2.790 . 2.790 2.115 2.085 2.133 . 0 0 "[ . 1]" 1
83 1 17 PRO QB 1 18 LEU H 3.810 . 3.810 3.170 3.068 3.323 . 0 0 "[ . 1]" 1
84 1 17 PRO HB2 1 18 LEU H 4.560 . 4.560 3.607 3.413 3.754 . 0 0 "[ . 1]" 1
85 1 17 PRO HD3 1 18 LEU H 6.000 . 6.000 5.699 5.514 5.815 . 0 0 "[ . 1]" 1
86 1 18 LEU H 1 18 LEU QB 3.650 . 3.650 2.501 2.466 2.554 . 0 0 "[ . 1]" 1
87 1 18 LEU H 1 18 LEU MD1 5.510 . 5.510 3.470 3.369 3.572 . 0 0 "[ . 1]" 1
88 1 18 LEU H 1 18 LEU QD 4.830 . 4.830 3.362 3.280 3.446 . 0 0 "[ . 1]" 1
89 1 18 LEU H 1 18 LEU MD2 5.510 . 5.510 4.509 4.473 4.529 . 0 0 "[ . 1]" 1
90 1 18 LEU H 1 18 LEU HG 3.990 . 3.990 3.496 3.427 3.548 . 0 0 "[ . 1]" 1
91 1 18 LEU H 1 19 LYS H 6.000 . 6.000 4.441 4.422 4.455 . 0 0 "[ . 1]" 1
92 1 18 LEU HA 1 18 LEU QD 3.430 . 3.430 2.660 2.593 2.714 . 0 0 "[ . 1]" 1
93 1 18 LEU HA 1 18 LEU HG 3.980 . 3.980 2.524 2.459 2.610 . 0 0 "[ . 1]" 1
94 1 18 LEU HA 1 19 LYS H 2.950 . 2.950 2.201 2.180 2.227 . 0 0 "[ . 1]" 1
95 1 18 LEU QB 1 19 LYS H 3.190 . 3.190 2.803 2.786 2.835 . 0 0 "[ . 1]" 1
96 1 18 LEU QB 1 22 GLU H 5.810 . 5.810 6.102 6.059 6.184 0.374 3 0 "[ . 1]" 1
97 1 18 LEU QD 1 19 LYS H 4.210 . 4.210 3.244 3.157 3.308 . 0 0 "[ . 1]" 1
98 1 18 LEU QD 1 22 GLU H 5.920 . 5.920 6.022 5.974 6.108 0.188 3 0 "[ . 1]" 1
99 1 18 LEU QD 1 23 LEU QD 5.680 . 5.680 3.103 2.907 3.448 . 0 0 "[ . 1]" 1
100 1 18 LEU QD 1 54 CYS HA 4.180 . 4.180 3.204 2.881 3.574 . 0 0 "[ . 1]" 1
101 1 18 LEU MD1 1 54 CYS HA 5.200 . 5.200 4.089 3.839 4.345 . 0 0 "[ . 1]" 1
102 1 18 LEU MD2 1 54 CYS HA 5.200 . 5.200 3.357 2.956 3.884 . 0 0 "[ . 1]" 1
103 1 19 LYS H 1 19 LYS QB 3.540 . 3.540 2.271 2.219 2.329 . 0 0 "[ . 1]" 1
104 1 19 LYS H 1 20 TRP H 6.000 . 6.000 4.493 4.444 4.517 . 0 0 "[ . 1]" 1
105 1 19 LYS H 1 22 GLU H 6.000 . 6.000 4.720 4.592 4.829 . 0 0 "[ . 1]" 1
106 1 19 LYS HA 1 20 TRP H 3.310 . 3.310 2.136 2.106 2.159 . 0 0 "[ . 1]" 1
107 1 19 LYS HA 1 21 GLU H 5.880 . 5.880 3.833 3.710 3.919 . 0 0 "[ . 1]" 1
108 1 19 LYS QB 1 21 GLU H 3.210 . 3.210 2.773 2.626 3.218 0.008 7 0 "[ . 1]" 1
109 1 19 LYS QB 1 21 GLU HA 5.180 . 5.180 4.959 4.882 5.227 0.047 7 0 "[ . 1]" 1
110 1 19 LYS QB 1 22 GLU H 3.820 . 3.820 2.559 2.360 2.736 . 0 0 "[ . 1]" 1
111 1 19 LYS HB2 1 20 TRP H 4.720 . 4.720 4.336 4.247 4.484 . 0 0 "[ . 1]" 1
112 1 19 LYS HB3 1 20 TRP H 4.720 . 4.720 3.319 3.160 3.777 . 0 0 "[ . 1]" 1
113 1 20 TRP H 1 20 TRP QB 3.020 . 3.020 2.208 2.152 2.236 . 0 0 "[ . 1]" 1
114 1 20 TRP H 1 21 GLU H 4.140 . 4.140 2.611 2.582 2.631 . 0 0 "[ . 1]" 1
115 1 20 TRP H 1 22 GLU H 5.170 . 5.170 4.256 4.210 4.311 . 0 0 "[ . 1]" 1
116 1 20 TRP H 1 23 LEU QD 5.920 . 5.920 4.602 3.912 5.260 . 0 0 "[ . 1]" 1
117 1 20 TRP H 1 94 LEU QD 5.920 . 5.920 3.810 3.531 4.306 . 0 0 "[ . 1]" 1
118 1 20 TRP HA 1 20 TRP HE1 6.000 . 6.000 5.171 5.117 5.219 . 0 0 "[ . 1]" 1
119 1 20 TRP HA 1 22 GLU H 4.760 . 4.760 4.181 4.107 4.263 . 0 0 "[ . 1]" 1
120 1 20 TRP HA 1 23 LEU H 5.530 . 5.530 3.486 3.303 3.701 . 0 0 "[ . 1]" 1
121 1 20 TRP HA 1 23 LEU QB 4.240 . 4.240 2.754 2.527 2.998 . 0 0 "[ . 1]" 1
122 1 20 TRP HA 1 23 LEU QD 4.160 . 4.160 2.749 2.178 3.323 . 0 0 "[ . 1]" 1
123 1 20 TRP HA 1 23 LEU HG 5.180 . 5.180 4.943 4.445 5.382 0.202 4 0 "[ . 1]" 1
124 1 20 TRP HA 1 94 LEU QD 5.610 . 5.610 3.883 3.742 4.185 . 0 0 "[ . 1]" 1
125 1 20 TRP QB 1 21 GLU H 4.290 . 4.290 2.997 2.947 3.033 . 0 0 "[ . 1]" 1
126 1 20 TRP QB 1 94 LEU QD 3.370 . 3.370 2.032 1.948 2.357 . 0 0 "[ . 1]" 1
127 1 20 TRP HE1 1 70 GLU HA 6.000 . 6.000 4.699 4.259 5.048 . 0 0 "[ . 1]" 1
128 1 20 TRP HE1 1 70 GLU QB 4.010 . 4.010 4.068 3.962 4.126 0.116 5 0 "[ . 1]" 1
129 1 20 TRP HH2 1 71 ALA H 5.830 . 5.830 5.862 5.768 5.948 0.118 1 0 "[ . 1]" 1
130 1 20 TRP HH2 1 71 ALA HA 5.100 . 5.100 4.385 4.116 4.536 . 0 0 "[ . 1]" 1
131 1 20 TRP HH2 1 71 ALA MB 5.450 . 5.450 5.463 5.316 5.544 0.094 4 0 "[ . 1]" 1
132 1 20 TRP HH2 1 74 VAL H 6.000 . 6.000 5.102 4.754 5.505 . 0 0 "[ . 1]" 1
133 1 20 TRP HH2 1 74 VAL QG 5.320 . 5.320 2.383 2.265 2.944 . 0 0 "[ . 1]" 1
134 1 20 TRP HZ2 1 66 LEU QB 4.820 . 4.820 4.967 4.791 5.097 0.277 1 0 "[ . 1]" 1
135 1 20 TRP HZ2 1 66 LEU QD 4.300 . 4.300 2.923 2.367 3.718 . 0 0 "[ . 1]" 1
136 1 20 TRP HZ2 1 70 GLU QB 4.230 . 4.230 2.341 2.307 2.381 . 0 0 "[ . 1]" 1
137 1 20 TRP HZ2 1 71 ALA HA 5.660 . 5.660 5.232 4.911 5.484 . 0 0 "[ . 1]" 1
138 1 21 GLU H 1 22 GLU H 4.050 . 4.050 2.613 2.599 2.637 . 0 0 "[ . 1]" 1
139 1 21 GLU H 1 23 LEU H 6.000 . 6.000 4.157 4.070 4.277 . 0 0 "[ . 1]" 1
140 1 21 GLU H 1 24 ILE QG 5.810 . 5.810 4.736 4.616 4.853 . 0 0 "[ . 1]" 1
141 1 21 GLU H 1 94 LEU QB 5.370 . 5.370 4.318 3.671 4.692 . 0 0 "[ . 1]" 1
142 1 21 GLU H 1 94 LEU QD 4.570 . 4.570 2.914 2.610 3.260 . 0 0 "[ . 1]" 1
143 1 21 GLU H 1 94 LEU HG 6.000 . 6.000 5.663 3.940 5.965 . 0 0 "[ . 1]" 1
144 1 21 GLU HA 1 24 ILE MD 5.390 . 5.390 4.803 4.495 5.084 . 0 0 "[ . 1]" 1
145 1 21 GLU HA 1 24 ILE QG 4.530 . 4.530 3.205 2.910 3.507 . 0 0 "[ . 1]" 1
146 1 21 GLU HA 1 92 VAL HB 4.920 . 4.920 2.958 2.687 3.233 . 0 0 "[ . 1]" 1
147 1 21 GLU HA 1 92 VAL QG 3.290 . 3.290 3.150 2.902 3.374 0.084 8 0 "[ . 1]" 1
148 1 21 GLU HA 1 94 LEU QD 5.220 . 5.220 2.478 2.278 2.680 . 0 0 "[ . 1]" 1
149 1 22 GLU H 1 22 GLU QB 3.350 . 3.350 2.230 2.163 2.256 . 0 0 "[ . 1]" 1
150 1 22 GLU H 1 23 LEU H 3.340 . 3.340 2.529 2.482 2.577 . 0 0 "[ . 1]" 1
151 1 22 GLU H 1 23 LEU QB 5.810 . 5.810 4.226 4.081 4.378 . 0 0 "[ . 1]" 1
152 1 22 GLU H 1 23 LEU QD 5.920 . 5.920 4.656 4.034 5.250 . 0 0 "[ . 1]" 1
153 1 22 GLU H 1 24 ILE H 5.690 . 5.690 4.259 4.223 4.293 . 0 0 "[ . 1]" 1
154 1 22 GLU HA 1 22 GLU QB 2.580 . 2.580 2.465 2.455 2.479 . 0 0 "[ . 1]" 1
155 1 22 GLU HA 1 25 GLU H 4.210 . 4.210 3.617 3.536 3.721 . 0 0 "[ . 1]" 1
156 1 22 GLU QB 1 23 LEU H 3.640 . 3.640 2.814 2.792 2.846 . 0 0 "[ . 1]" 1
157 1 23 LEU H 1 23 LEU HB2 3.630 . 3.630 2.201 2.141 2.253 . 0 0 "[ . 1]" 1
158 1 23 LEU H 1 23 LEU HB3 3.630 . 3.630 3.169 2.763 3.537 . 0 0 "[ . 1]" 1
159 1 23 LEU H 1 23 LEU MD1 4.280 . 4.280 3.321 2.790 3.825 . 0 0 "[ . 1]" 1
160 1 23 LEU H 1 23 LEU MD2 4.280 . 4.280 4.278 4.182 4.372 0.092 5 0 "[ . 1]" 1
161 1 23 LEU H 1 23 LEU HG 4.320 . 4.320 3.689 2.967 4.392 0.072 7 0 "[ . 1]" 1
162 1 23 LEU H 1 24 ILE H 3.370 . 3.370 2.718 2.663 2.742 . 0 0 "[ . 1]" 1
163 1 23 LEU HA 1 23 LEU MD1 4.710 . 4.710 3.313 2.798 3.742 . 0 0 "[ . 1]" 1
164 1 23 LEU HA 1 23 LEU QD 3.270 . 3.270 2.754 2.660 2.852 . 0 0 "[ . 1]" 1
165 1 23 LEU HA 1 23 LEU MD2 4.710 . 4.710 3.229 2.722 3.722 . 0 0 "[ . 1]" 1
166 1 23 LEU HA 1 25 GLU H 4.860 . 4.860 4.691 4.353 4.782 . 0 0 "[ . 1]" 1
167 1 23 LEU QB 1 23 LEU QD 2.860 . 2.860 1.864 1.857 1.873 . 0 0 "[ . 1]" 1
168 1 23 LEU QB 1 24 ILE H 3.540 . 3.540 2.633 2.577 2.693 . 0 0 "[ . 1]" 1
169 1 23 LEU QB 1 26 GLU H 5.750 . 5.750 5.255 5.162 5.326 . 0 0 "[ . 1]" 1
170 1 23 LEU QB 1 52 PHE QE 4.190 . 4.190 4.094 3.452 4.410 0.220 3 0 "[ . 1]" 1
171 1 23 LEU HB2 1 24 ILE H 4.110 . 4.110 3.217 2.763 3.668 . 0 0 "[ . 1]" 1
172 1 23 LEU HB3 1 24 ILE H 4.110 . 4.110 3.038 2.635 3.468 . 0 0 "[ . 1]" 1
173 1 23 LEU QD 1 24 ILE H 5.920 . 5.920 3.981 3.807 4.115 . 0 0 "[ . 1]" 1
174 1 23 LEU QD 1 52 PHE QB 3.770 . 3.770 3.123 2.822 3.254 . 0 0 "[ . 1]" 1
175 1 23 LEU QD 1 52 PHE QD 4.440 . 4.440 2.667 2.456 3.011 . 0 0 "[ . 1]" 1
176 1 23 LEU QD 1 52 PHE QE 4.710 . 4.710 2.624 2.342 2.803 . 0 0 "[ . 1]" 1
177 1 23 LEU QD 1 53 LYS H 5.470 . 5.470 5.155 4.923 5.364 . 0 0 "[ . 1]" 1
178 1 23 LEU QD 1 77 LEU QD 4.520 . 4.520 4.676 4.420 4.826 0.306 9 0 "[ . 1]" 1
179 1 23 LEU HG 1 26 GLU H 6.000 . 6.000 6.071 5.900 6.258 0.258 9 0 "[ . 1]" 1
180 1 24 ILE H 1 24 ILE HB 3.120 . 3.120 2.770 2.747 2.822 . 0 0 "[ . 1]" 1
181 1 24 ILE H 1 24 ILE QG . . 3.130 2.363 2.340 2.430 . 0 0 "[ . 1]" 1
182 1 24 ILE H 1 25 GLU H 3.930 . 3.930 2.535 2.501 2.576 . 0 0 "[ . 1]" 1
183 1 24 ILE H 1 92 VAL QG 4.030 . 4.030 3.943 3.792 4.056 0.026 1 0 "[ . 1]" 1
184 1 24 ILE HA 1 24 ILE MD 2.810 . 2.810 2.590 2.514 2.652 . 0 0 "[ . 1]" 1
185 1 24 ILE HA 1 24 ILE MG 3.050 . 3.050 2.466 2.437 2.497 . 0 0 "[ . 1]" 1
186 1 24 ILE HA 1 27 MET H 4.290 . 4.290 3.559 3.494 3.653 . 0 0 "[ . 1]" 1
187 1 24 ILE HA 1 28 LEU H 6.000 . 6.000 4.960 4.780 5.125 . 0 0 "[ . 1]" 1
188 1 24 ILE HA 1 33 PHE QE 6.000 . 6.000 4.047 3.690 4.393 . 0 0 "[ . 1]" 1
189 1 24 ILE HB 1 25 GLU H 5.380 . 5.380 2.859 2.792 3.106 . 0 0 "[ . 1]" 1
190 1 24 ILE HB 1 92 VAL QG 2.910 . 2.910 2.065 2.001 2.101 . 0 0 "[ . 1]" 1
191 1 24 ILE MD 1 33 PHE QE 4.490 . 4.490 3.909 3.608 4.232 . 0 0 "[ . 1]" 1
192 1 24 ILE MD 1 43 PHE QE 3.850 . 3.850 2.741 2.312 2.977 . 0 0 "[ . 1]" 1
193 1 24 ILE MD 1 74 VAL MG1 5.040 . 5.040 3.914 3.816 4.238 . 0 0 "[ . 1]" 1
194 1 24 ILE MD 1 74 VAL QG 4.030 . 4.030 3.765 3.682 3.993 . 0 0 "[ . 1]" 1
195 1 24 ILE MD 1 74 VAL MG2 5.040 . 5.040 4.907 4.760 5.011 . 0 0 "[ . 1]" 1
196 1 24 ILE MD 1 92 VAL QG 4.570 . 4.570 3.793 3.628 3.938 . 0 0 "[ . 1]" 1
197 1 24 ILE QG 1 25 GLU H 4.730 . 4.730 4.038 3.965 4.137 . 0 0 "[ . 1]" 1
198 1 24 ILE MG 1 25 GLU H 5.400 . 5.400 3.898 3.843 4.072 . 0 0 "[ . 1]" 1
199 1 24 ILE MG 1 27 MET H 4.540 . 4.540 4.767 4.677 4.848 0.308 1 0 "[ . 1]" 1
200 1 24 ILE MG 1 28 LEU H 5.180 . 5.180 5.022 4.895 5.188 0.008 8 0 "[ . 1]" 1
201 1 24 ILE MG 1 28 LEU QD 3.480 . 3.480 2.118 2.055 2.164 . 0 0 "[ . 1]" 1
202 1 24 ILE MG 1 33 PHE QE 3.680 . 3.680 2.474 2.128 2.852 . 0 0 "[ . 1]" 1
203 1 25 GLU H 1 25 GLU HB2 2.980 . 2.980 2.082 2.064 2.096 . 0 0 "[ . 1]" 1
204 1 25 GLU H 1 25 GLU QB 2.600 . 2.600 2.052 2.038 2.065 . 0 0 "[ . 1]" 1
205 1 25 GLU H 1 25 GLU HB3 2.980 . 2.980 3.104 3.058 3.139 0.159 5 0 "[ . 1]" 1
206 1 25 GLU H 1 26 GLU H 3.780 . 3.780 2.704 2.627 2.753 . 0 0 "[ . 1]" 1
207 1 25 GLU H 1 27 MET H 6.000 . 6.000 3.962 3.937 4.020 . 0 0 "[ . 1]" 1
208 1 25 GLU H 1 28 LEU QD 5.920 . 5.920 4.435 4.357 4.624 . 0 0 "[ . 1]" 1
209 1 25 GLU H 1 92 VAL QG 3.980 . 3.980 3.020 2.706 3.212 . 0 0 "[ . 1]" 1
210 1 25 GLU HA 1 28 LEU H 4.520 . 4.520 3.958 3.839 4.048 . 0 0 "[ . 1]" 1
211 1 25 GLU HA 1 28 LEU QD 3.650 . 3.650 3.123 3.003 3.629 . 0 0 "[ . 1]" 1
212 1 25 GLU HA 1 92 VAL HB 5.090 . 5.090 5.062 4.641 5.153 0.063 9 0 "[ . 1]" 1
213 1 25 GLU HA 1 92 VAL MG1 5.020 . 5.020 5.113 5.070 5.179 0.159 7 0 "[ . 1]" 1
214 1 25 GLU HA 1 92 VAL QG 3.900 . 3.900 2.835 2.718 2.955 . 0 0 "[ . 1]" 1
215 1 25 GLU HA 1 92 VAL MG2 5.020 . 5.020 2.849 2.728 2.972 . 0 0 "[ . 1]" 1
216 1 25 GLU QB 1 26 GLU H 4.110 . 4.110 2.791 2.742 2.831 . 0 0 "[ . 1]" 1
217 1 26 GLU H 1 26 GLU HB2 3.170 . 3.170 2.239 2.219 2.254 . 0 0 "[ . 1]" 1
218 1 26 GLU H 1 26 GLU HB3 3.030 . 3.030 3.508 3.498 3.516 0.486 8 0 "[ . 1]" 1
219 1 26 GLU H 1 27 MET H 3.720 . 3.720 2.473 2.417 2.581 . 0 0 "[ . 1]" 1
220 1 26 GLU H 1 27 MET QB 4.720 . 4.720 4.240 4.087 4.368 . 0 0 "[ . 1]" 1
221 1 26 GLU H 1 28 LEU H 5.100 . 5.100 4.135 4.045 4.301 . 0 0 "[ . 1]" 1
222 1 26 GLU H 1 92 VAL QG 5.920 . 5.920 4.963 4.753 5.096 . 0 0 "[ . 1]" 1
223 1 26 GLU HA 1 28 LEU H 6.000 . 6.000 3.934 3.875 4.056 . 0 0 "[ . 1]" 1
224 1 26 GLU HB2 1 27 MET H 3.400 . 3.400 3.151 3.086 3.242 . 0 0 "[ . 1]" 1
225 1 26 GLU HB2 1 27 MET HA 4.370 . 4.370 4.764 4.722 4.792 0.422 8 0 "[ . 1]" 1
226 1 26 GLU HB3 1 27 MET H 4.380 . 4.380 3.821 3.769 3.890 . 0 0 "[ . 1]" 1
227 1 27 MET H 1 27 MET HB2 3.950 . 3.950 2.354 2.268 2.424 . 0 0 "[ . 1]" 1
228 1 27 MET H 1 27 MET QB 3.180 . 3.180 2.319 2.236 2.390 . 0 0 "[ . 1]" 1
229 1 27 MET H 1 27 MET HB3 3.950 . 3.950 3.499 3.136 3.630 . 0 0 "[ . 1]" 1
230 1 27 MET H 1 28 LEU H 3.380 . 3.380 2.436 2.319 2.515 . 0 0 "[ . 1]" 1
231 1 27 MET H 1 29 ILE H 5.980 . 5.980 4.668 4.584 4.820 . 0 0 "[ . 1]" 1
232 1 27 MET H 1 30 ILE MD 5.030 . 5.030 5.222 5.171 5.286 0.256 3 0 "[ . 1]" 1
233 1 27 MET HA 1 28 LEU HA 5.180 . 5.180 4.715 4.675 4.826 . 0 0 "[ . 1]" 1
234 1 27 MET HA 1 29 ILE H 5.770 . 5.770 3.357 3.299 3.391 . 0 0 "[ . 1]" 1
235 1 27 MET HA 1 30 ILE MD 4.850 . 4.850 3.236 3.109 3.342 . 0 0 "[ . 1]" 1
236 1 28 LEU H 1 28 LEU HB2 3.380 . 3.380 2.319 2.170 2.382 . 0 0 "[ . 1]" 1
237 1 28 LEU H 1 28 LEU QB 2.700 . 2.700 2.240 2.117 2.293 . 0 0 "[ . 1]" 1
238 1 28 LEU H 1 28 LEU HB3 3.380 . 3.380 2.969 2.916 3.121 . 0 0 "[ . 1]" 1
239 1 28 LEU H 1 28 LEU QD 3.710 . 3.710 3.611 3.482 3.682 . 0 0 "[ . 1]" 1
240 1 28 LEU H 1 29 ILE H 3.570 . 3.570 2.723 2.598 2.828 . 0 0 "[ . 1]" 1
241 1 28 LEU H 1 30 ILE H 6.000 . 6.000 4.792 4.718 4.879 . 0 0 "[ . 1]" 1
242 1 28 LEU H 1 30 ILE MD 6.000 . 6.000 4.637 4.549 4.771 . 0 0 "[ . 1]" 1
243 1 28 LEU HA 1 28 LEU QD 3.090 . 3.090 2.672 2.282 2.758 . 0 0 "[ . 1]" 1
244 1 28 LEU HA 1 29 ILE QG 5.360 . 5.360 4.693 4.579 4.798 . 0 0 "[ . 1]" 1
245 1 28 LEU HA 1 30 ILE H 5.170 . 5.170 3.336 3.241 3.520 . 0 0 "[ . 1]" 1
246 1 28 LEU HA 1 33 PHE QE 4.490 . 4.490 4.428 4.121 4.593 0.103 10 0 "[ . 1]" 1
247 1 28 LEU QB 1 28 LEU QD 2.720 . 2.720 1.898 1.868 2.086 . 0 0 "[ . 1]" 1
248 1 28 LEU QB 1 29 ILE H 3.800 . 3.800 3.700 3.633 3.793 . 0 0 "[ . 1]" 1
249 1 28 LEU QB 1 33 PHE QE 5.220 . 5.220 5.059 4.641 5.191 . 0 0 "[ . 1]" 1
250 1 28 LEU QD 1 29 ILE H 5.440 . 5.440 4.600 4.236 4.652 . 0 0 "[ . 1]" 1
251 1 28 LEU QD 1 30 ILE H 5.920 . 5.920 4.895 3.958 5.205 . 0 0 "[ . 1]" 1
252 1 28 LEU QD 1 33 PHE QE 3.240 . 3.240 3.056 2.425 3.304 0.064 3 0 "[ . 1]" 1
253 1 28 LEU QD 1 85 ILE MG 4.980 . 4.980 3.409 3.073 3.930 . 0 0 "[ . 1]" 1
254 1 28 LEU QD 1 90 LYS H 5.920 . 5.920 4.575 4.302 5.358 . 0 0 "[ . 1]" 1
255 1 28 LEU QD 1 90 LYS HA 4.310 . 4.310 3.028 2.760 3.909 . 0 0 "[ . 1]" 1
256 1 28 LEU QD 1 91 ARG H 5.760 . 5.760 4.548 4.213 5.420 . 0 0 "[ . 1]" 1
257 1 28 LEU QD 1 92 VAL HB 4.990 . 4.990 4.891 4.744 4.998 0.008 8 0 "[ . 1]" 1
258 1 29 ILE H 1 29 ILE HB 3.370 . 3.370 3.596 3.319 3.683 0.313 3 0 "[ . 1]" 1
259 1 29 ILE H 1 29 ILE MD 4.630 . 4.630 3.456 2.530 3.689 . 0 0 "[ . 1]" 1
260 1 29 ILE H 1 29 ILE QG 2.890 . 2.890 1.969 1.913 2.084 . 0 0 "[ . 1]" 1
261 1 29 ILE H 1 29 ILE MG 3.980 . 3.980 3.082 2.864 3.758 . 0 0 "[ . 1]" 1
262 1 29 ILE H 1 30 ILE H 3.490 . 3.490 2.531 2.396 2.680 . 0 0 "[ . 1]" 1
263 1 29 ILE HA 1 29 ILE QG 3.570 . 3.570 3.353 3.089 3.421 . 0 0 "[ . 1]" 1
264 1 29 ILE HA 1 29 ILE MG 2.850 . 2.850 2.217 2.126 2.247 . 0 0 "[ . 1]" 1
265 1 29 ILE HB 1 30 ILE H 4.700 . 4.700 4.182 3.880 4.343 . 0 0 "[ . 1]" 1
266 1 29 ILE HB 1 30 ILE HA 5.320 . 5.320 4.654 4.406 4.776 . 0 0 "[ . 1]" 1
267 1 29 ILE QG 1 29 ILE MG . . 2.500 2.086 2.059 2.100 . 0 0 "[ . 1]" 1
268 1 29 ILE QG 1 30 ILE H 4.990 . 4.990 3.506 3.122 4.318 . 0 0 "[ . 1]" 1
269 1 29 ILE MG 1 30 ILE H 4.210 . 4.210 4.429 4.397 4.466 0.256 6 0 "[ . 1]" 1
270 1 30 ILE H 1 30 ILE HB 3.170 . 3.170 2.942 2.896 2.986 . 0 0 "[ . 1]" 1
271 1 30 ILE H 1 30 ILE MD 3.990 . 3.990 2.890 2.794 3.090 . 0 0 "[ . 1]" 1
272 1 30 ILE H 1 30 ILE QG 3.090 . 3.090 2.621 2.473 2.813 . 0 0 "[ . 1]" 1
273 1 30 ILE H 1 30 ILE MG 4.470 . 4.470 3.989 3.956 4.040 . 0 0 "[ . 1]" 1
274 1 30 ILE H 1 31 GLU H 5.480 . 5.480 4.495 4.415 4.551 . 0 0 "[ . 1]" 1
275 1 30 ILE H 1 33 PHE HB2 5.590 . 5.590 3.686 3.540 3.877 . 0 0 "[ . 1]" 1
276 1 30 ILE HA 1 30 ILE MD 4.310 . 4.310 4.010 3.984 4.044 . 0 0 "[ . 1]" 1
277 1 30 ILE HA 1 30 ILE QG 3.150 . 3.150 2.746 2.705 2.787 . 0 0 "[ . 1]" 1
278 1 30 ILE HA 1 30 ILE MG 3.300 . 3.300 2.388 2.346 2.411 . 0 0 "[ . 1]" 1
279 1 30 ILE HA 1 31 GLU H 2.970 . 2.970 2.182 2.136 2.208 . 0 0 "[ . 1]" 1
280 1 30 ILE HA 1 31 GLU QB 5.490 . 5.490 4.286 4.184 4.541 . 0 0 "[ . 1]" 1
281 1 30 ILE HB 1 30 ILE MD 3.550 . 3.550 2.246 2.235 2.266 . 0 0 "[ . 1]" 1
282 1 30 ILE HB 1 33 PHE H 4.100 . 4.100 2.977 2.719 3.729 . 0 0 "[ . 1]" 1
283 1 30 ILE HB 1 33 PHE HB2 4.060 . 4.060 2.483 2.402 2.592 . 0 0 "[ . 1]" 1
284 1 30 ILE HB 1 33 PHE HB3 5.260 . 5.260 4.181 4.077 4.332 . 0 0 "[ . 1]" 1
285 1 30 ILE MD 1 33 PHE QD 4.850 . 4.850 2.171 2.130 2.286 . 0 0 "[ . 1]" 1
286 1 30 ILE MD 1 33 PHE QE 4.020 . 4.020 3.154 2.888 3.547 . 0 0 "[ . 1]" 1
287 1 30 ILE QG 1 33 PHE QE 5.660 . 5.660 5.304 5.040 5.672 0.012 7 0 "[ . 1]" 1
288 1 30 ILE MG 1 31 GLU H 3.420 . 3.420 2.316 2.262 2.404 . 0 0 "[ . 1]" 1
289 1 30 ILE MG 1 32 ASN H 4.880 . 4.880 1.913 1.799 1.993 0.001 3 0 "[ . 1]" 1
290 1 30 ILE MG 1 32 ASN QB 5.740 . 5.740 2.343 2.286 2.414 . 0 0 "[ . 1]" 1
291 1 30 ILE MG 1 33 PHE H 3.520 . 3.520 3.238 3.094 3.601 0.081 3 0 "[ . 1]" 1
292 1 30 ILE MG 1 33 PHE HA 4.720 . 4.720 4.661 4.139 4.840 0.120 5 0 "[ . 1]" 1
293 1 30 ILE MG 1 33 PHE HB2 5.970 . 5.970 3.879 3.801 4.017 . 0 0 "[ . 1]" 1
294 1 30 ILE MG 1 33 PHE HB3 5.550 . 5.550 5.212 5.153 5.283 . 0 0 "[ . 1]" 1
295 1 30 ILE MG 1 33 PHE QD 4.590 . 4.590 4.071 3.774 4.537 . 0 0 "[ . 1]" 1
296 1 30 ILE MG 1 34 GLU H 6.000 . 6.000 5.502 5.446 5.615 . 0 0 "[ . 1]" 1
297 1 31 GLU H 1 31 GLU HA 2.940 . 2.940 2.894 2.851 2.914 . 0 0 "[ . 1]" 1
298 1 31 GLU H 1 31 GLU QB 2.750 . 2.750 2.320 2.205 2.822 0.072 10 0 "[ . 1]" 1
299 1 31 GLU H 1 31 GLU QG 3.800 . 3.800 2.785 2.012 3.020 . 0 0 "[ . 1]" 1
300 1 31 GLU HA 1 31 GLU QB 2.630 . 2.630 2.434 2.169 2.487 . 0 0 "[ . 1]" 1
301 1 31 GLU HA 1 31 GLU QG 2.840 . 2.840 2.432 2.299 3.380 0.540 10 1 "[ . +]" 1
302 1 31 GLU HA 1 33 PHE H 3.730 . 3.730 3.860 3.545 3.990 0.260 1 0 "[ . 1]" 1
303 1 31 GLU QB 1 33 PHE H 5.810 . 5.810 4.752 4.548 5.028 . 0 0 "[ . 1]" 1
304 1 32 ASN H 1 33 PHE H 3.430 . 3.430 2.535 2.384 2.844 . 0 0 "[ . 1]" 1
305 1 32 ASN HA 1 34 GLU H 4.490 . 4.490 4.078 3.899 4.161 . 0 0 "[ . 1]" 1
306 1 32 ASN HA 1 35 GLU H 4.840 . 4.840 3.632 3.445 3.939 . 0 0 "[ . 1]" 1
307 1 32 ASN QB 1 35 GLU H 4.880 . 4.880 4.606 4.434 4.740 . 0 0 "[ . 1]" 1
308 1 32 ASN QB 1 36 ILE H 5.390 . 5.390 4.600 4.231 5.079 . 0 0 "[ . 1]" 1
309 1 32 ASN QB 1 36 ILE MD 5.550 . 5.550 2.511 2.302 3.254 . 0 0 "[ . 1]" 1
310 1 33 PHE H 1 33 PHE HB2 2.940 . 2.940 2.234 2.120 2.465 . 0 0 "[ . 1]" 1
311 1 33 PHE H 1 33 PHE HB3 3.200 . 3.200 3.028 2.890 3.110 . 0 0 "[ . 1]" 1
312 1 33 PHE H 1 34 GLU H 3.330 . 3.330 2.758 2.326 2.899 . 0 0 "[ . 1]" 1
313 1 33 PHE H 1 34 GLU QB 5.340 . 5.340 4.561 4.112 4.763 . 0 0 "[ . 1]" 1
314 1 33 PHE H 1 35 GLU H 3.980 . 3.980 4.203 4.039 4.273 0.293 1 0 "[ . 1]" 1
315 1 33 PHE H 1 35 GLU QB 5.810 . 5.810 5.100 5.018 5.195 . 0 0 "[ . 1]" 1
316 1 33 PHE H 1 87 TRP HH2 5.930 . 5.930 5.730 5.200 5.992 0.062 4 0 "[ . 1]" 1
317 1 33 PHE HA 1 33 PHE QD 3.230 . 3.230 2.961 2.902 3.001 . 0 0 "[ . 1]" 1
318 1 33 PHE HA 1 36 ILE H 3.700 . 3.700 3.188 3.090 3.399 . 0 0 "[ . 1]" 1
319 1 33 PHE HA 1 36 ILE HB 3.760 . 3.760 2.587 2.385 3.146 . 0 0 "[ . 1]" 1
320 1 33 PHE HA 1 36 ILE MD 3.780 . 3.780 2.190 2.107 2.319 . 0 0 "[ . 1]" 1
321 1 33 PHE HA 1 37 VAL H 6.000 . 6.000 3.860 3.590 3.951 . 0 0 "[ . 1]" 1
322 1 33 PHE HB2 1 34 GLU H 3.790 . 3.790 3.653 3.596 3.750 . 0 0 "[ . 1]" 1
323 1 33 PHE HB3 1 33 PHE QD 3.200 . 3.200 2.409 2.370 2.442 . 0 0 "[ . 1]" 1
324 1 33 PHE HB3 1 34 GLU H 3.420 . 3.420 2.855 2.782 2.911 . 0 0 "[ . 1]" 1
325 1 33 PHE HB3 1 36 ILE H 5.730 . 5.730 5.356 5.237 5.582 . 0 0 "[ . 1]" 1
326 1 33 PHE HB3 1 36 ILE HB 5.850 . 5.850 5.202 5.009 5.587 . 0 0 "[ . 1]" 1
327 1 33 PHE HB3 1 36 ILE MD 4.830 . 4.830 4.571 4.410 4.902 0.072 9 0 "[ . 1]" 1
328 1 33 PHE HB3 1 87 TRP HZ3 4.860 . 4.860 3.555 3.350 3.657 . 0 0 "[ . 1]" 1
329 1 33 PHE QD 1 36 ILE MD 3.840 . 3.840 3.243 3.011 3.597 . 0 0 "[ . 1]" 1
330 1 33 PHE QD 1 37 VAL H 4.510 . 4.510 4.357 4.055 4.523 0.013 1 0 "[ . 1]" 1
331 1 33 PHE QD 1 37 VAL MG1 4.240 . 4.240 2.634 2.251 3.718 . 0 0 "[ . 1]" 1
332 1 33 PHE QD 1 37 VAL MG2 4.240 . 4.240 3.547 3.085 3.836 . 0 0 "[ . 1]" 1
333 1 33 PHE QD 1 87 TRP HH2 3.590 . 3.590 2.890 2.435 3.117 . 0 0 "[ . 1]" 1
334 1 33 PHE QE 1 37 VAL QG 3.060 . 3.060 2.704 2.412 3.158 0.098 4 0 "[ . 1]" 1
335 1 33 PHE QE 1 43 PHE QE 2.460 . 2.460 2.584 2.485 2.852 0.392 7 0 "[ . 1]" 1
336 1 33 PHE QE 1 77 LEU QD 5.100 . 5.100 4.624 4.319 5.093 . 0 0 "[ . 1]" 1
337 1 34 GLU H 1 34 GLU QB 2.800 . 2.800 2.287 2.264 2.326 . 0 0 "[ . 1]" 1
338 1 34 GLU H 1 34 GLU QG 3.810 . 3.810 2.591 2.562 2.658 . 0 0 "[ . 1]" 1
339 1 34 GLU H 1 35 GLU H 3.260 . 3.260 2.724 2.658 2.868 . 0 0 "[ . 1]" 1
340 1 34 GLU H 1 35 GLU QB 5.810 . 5.810 4.594 4.460 4.758 . 0 0 "[ . 1]" 1
341 1 34 GLU H 1 36 ILE H 4.520 . 4.520 4.181 4.074 4.512 . 0 0 "[ . 1]" 1
342 1 34 GLU H 1 36 ILE MD 6.000 . 6.000 4.621 4.483 4.896 . 0 0 "[ . 1]" 1
343 1 34 GLU H 1 37 VAL MG1 6.000 . 6.000 4.514 3.870 4.850 . 0 0 "[ . 1]" 1
344 1 34 GLU H 1 37 VAL MG2 6.000 . 6.000 4.851 4.022 6.098 0.098 7 0 "[ . 1]" 1
345 1 34 GLU HA 1 37 VAL QG 3.630 . 3.630 2.136 2.073 2.214 . 0 0 "[ . 1]" 1
346 1 34 GLU HA 1 87 TRP HH2 3.930 . 3.930 2.766 2.564 2.996 . 0 0 "[ . 1]" 1
347 1 34 GLU HA 1 87 TRP HZ2 3.320 . 3.320 3.292 3.177 3.418 0.098 4 0 "[ . 1]" 1
348 1 34 GLU QB 1 35 GLU H 3.510 . 3.510 2.877 2.820 2.996 . 0 0 "[ . 1]" 1
349 1 34 GLU QB 1 36 ILE H 5.810 . 5.810 4.845 4.766 5.037 . 0 0 "[ . 1]" 1
350 1 34 GLU QB 1 87 TRP HZ2 5.390 . 5.390 4.753 4.618 4.927 . 0 0 "[ . 1]" 1
351 1 34 GLU QG 1 87 TRP HZ2 5.240 . 5.240 3.235 2.994 3.472 . 0 0 "[ . 1]" 1
352 1 35 GLU H 1 35 GLU QB 2.790 . 2.790 2.260 2.189 2.289 . 0 0 "[ . 1]" 1
353 1 35 GLU H 1 36 ILE H 2.710 . 2.710 2.397 2.367 2.476 . 0 0 "[ . 1]" 1
354 1 35 GLU H 1 37 VAL MG1 5.110 . 5.110 4.837 4.199 5.264 0.154 6 0 "[ . 1]" 1
355 1 35 GLU H 1 37 VAL QG 4.820 . 4.820 3.924 3.717 4.215 . 0 0 "[ . 1]" 1
356 1 35 GLU H 1 38 LYS H 5.680 . 5.680 5.198 4.857 5.335 . 0 0 "[ . 1]" 1
357 1 35 GLU HA 1 35 GLU QB 2.630 . 2.630 2.466 2.457 2.487 . 0 0 "[ . 1]" 1
358 1 35 GLU HA 1 38 LYS H 4.920 . 4.920 4.027 3.996 4.046 . 0 0 "[ . 1]" 1
359 1 35 GLU HA 1 38 LYS QB 3.250 . 3.250 3.320 3.162 3.404 0.154 2 0 "[ . 1]" 1
360 1 35 GLU QB 1 36 ILE H 3.380 . 3.380 2.778 2.636 2.846 . 0 0 "[ . 1]" 1
361 1 36 ILE H 1 36 ILE HB 3.800 . 3.800 2.695 2.664 2.759 . 0 0 "[ . 1]" 1
362 1 36 ILE H 1 36 ILE MD 3.220 . 3.220 3.119 2.807 3.233 0.013 5 0 "[ . 1]" 1
363 1 36 ILE H 1 37 VAL H 3.590 . 3.590 2.592 2.570 2.616 . 0 0 "[ . 1]" 1
364 1 36 ILE H 1 37 VAL MG1 6.000 . 6.000 4.354 4.180 4.436 . 0 0 "[ . 1]" 1
365 1 36 ILE H 1 37 VAL MG2 6.000 . 6.000 4.530 3.612 5.857 . 0 0 "[ . 1]" 1
366 1 36 ILE HA 1 36 ILE MD 4.700 . 4.700 3.993 3.940 4.022 . 0 0 "[ . 1]" 1
367 1 36 ILE HA 1 38 LYS H 4.840 . 4.840 4.042 3.946 4.167 . 0 0 "[ . 1]" 1
368 1 36 ILE HA 1 38 LYS QB 5.610 . 5.610 4.961 4.851 5.225 . 0 0 "[ . 1]" 1
369 1 36 ILE HA 1 39 ASP QB 4.480 . 4.480 3.413 3.111 3.607 . 0 0 "[ . 1]" 1
370 1 36 ILE HA 1 42 ARG QB 3.730 . 3.730 2.726 2.506 3.020 . 0 0 "[ . 1]" 1
371 1 36 ILE HB 1 36 ILE MD 2.970 . 2.970 2.280 2.240 2.326 . 0 0 "[ . 1]" 1
372 1 36 ILE HB 1 37 VAL H 3.450 . 3.450 2.896 2.817 2.955 . 0 0 "[ . 1]" 1
373 1 36 ILE MD 1 37 VAL H 5.490 . 5.490 4.448 4.179 4.554 . 0 0 "[ . 1]" 1
374 1 36 ILE QG 1 43 PHE HA 4.390 . 4.390 4.534 4.482 4.593 0.203 4 0 "[ . 1]" 1
375 1 36 ILE MG 1 37 VAL H 4.040 . 4.040 3.807 3.769 3.861 . 0 0 "[ . 1]" 1
376 1 36 ILE MG 1 37 VAL HA 3.790 . 3.790 3.998 3.914 4.042 0.252 5 0 "[ . 1]" 1
377 1 36 ILE MG 1 42 ARG H 5.490 . 5.490 4.458 4.323 4.634 . 0 0 "[ . 1]" 1
378 1 36 ILE MG 1 43 PHE H 4.640 . 4.640 3.053 2.967 3.120 . 0 0 "[ . 1]" 1
379 1 36 ILE MG 1 43 PHE HA 3.890 . 3.890 2.108 2.074 2.174 . 0 0 "[ . 1]" 1
380 1 37 VAL H 1 37 VAL HB 3.740 . 3.740 3.148 2.260 3.726 . 0 0 "[ . 1]" 1
381 1 37 VAL H 1 37 VAL QG 3.010 . 3.010 2.197 1.938 2.593 . 0 0 "[ . 1]" 1
382 1 37 VAL H 1 38 LYS H 3.870 . 3.870 2.784 2.722 2.831 . 0 0 "[ . 1]" 1
383 1 37 VAL HA 1 37 VAL QG 2.870 . 2.870 2.259 2.225 2.290 . 0 0 "[ . 1]" 1
384 1 37 VAL HA 1 39 ASP H 4.100 . 4.100 4.047 4.005 4.096 . 0 0 "[ . 1]" 1
385 1 37 VAL HB 1 39 ASP H 6.000 . 6.000 5.667 5.496 5.831 . 0 0 "[ . 1]" 1
386 1 37 VAL HB 1 87 TRP HZ2 5.570 . 5.570 4.382 4.134 4.658 . 0 0 "[ . 1]" 1
387 1 37 VAL QG 1 38 LYS H 3.350 . 3.350 2.791 2.687 2.864 . 0 0 "[ . 1]" 1
388 1 37 VAL QG 1 38 LYS QB 3.840 . 3.840 3.806 3.652 3.934 0.094 1 0 "[ . 1]" 1
389 1 37 VAL QG 1 87 TRP HH2 3.700 . 3.700 2.539 2.310 2.794 . 0 0 "[ . 1]" 1
390 1 37 VAL QG 1 87 TRP HZ2 2.970 . 2.970 2.203 2.120 2.303 . 0 0 "[ . 1]" 1
391 1 37 VAL QG 1 87 TRP HZ3 4.570 . 4.570 4.426 4.347 4.576 0.006 2 0 "[ . 1]" 1
392 1 37 VAL MG1 1 38 LYS H 4.520 . 4.520 3.705 2.715 4.318 . 0 0 "[ . 1]" 1
393 1 37 VAL MG1 1 87 TRP HH2 4.870 . 4.870 2.794 2.324 3.183 . 0 0 "[ . 1]" 1
394 1 37 VAL MG2 1 38 LYS H 4.520 . 4.520 3.432 2.718 4.359 . 0 0 "[ . 1]" 1
395 1 37 VAL MG2 1 87 TRP HH2 4.870 . 4.870 3.318 2.724 4.052 . 0 0 "[ . 1]" 1
396 1 38 LYS H 1 38 LYS QB 2.850 . 2.850 2.217 2.110 2.271 . 0 0 "[ . 1]" 1
397 1 38 LYS H 1 39 ASP H 2.840 . 2.840 2.417 2.325 2.519 . 0 0 "[ . 1]" 1
398 1 38 LYS H 1 39 ASP HA 6.000 . 6.000 5.113 5.041 5.204 . 0 0 "[ . 1]" 1
399 1 38 LYS H 1 39 ASP QB 4.570 . 4.570 4.301 4.199 4.518 . 0 0 "[ . 1]" 1
400 1 39 ASP H 1 39 ASP HB2 3.940 . 3.940 2.533 2.495 2.629 . 0 0 "[ . 1]" 1
401 1 39 ASP H 1 39 ASP QB 3.240 . 3.240 2.488 2.453 2.580 . 0 0 "[ . 1]" 1
402 1 39 ASP H 1 39 ASP HB3 3.940 . 3.940 3.638 3.596 3.741 . 0 0 "[ . 1]" 1
403 1 39 ASP H 1 40 ARG H 3.800 . 3.800 4.003 3.954 4.044 0.244 7 0 "[ . 1]" 1
404 1 39 ASP H 1 42 ARG QB 5.000 . 5.000 3.995 3.850 4.263 . 0 0 "[ . 1]" 1
405 1 39 ASP H 1 43 PHE H 5.580 . 5.580 5.000 4.894 5.138 . 0 0 "[ . 1]" 1
406 1 39 ASP H 1 78 LEU QB 5.810 . 5.810 5.534 5.266 5.841 0.031 3 0 "[ . 1]" 1
407 1 39 ASP H 1 78 LEU QD 5.920 . 5.920 3.157 2.821 3.364 . 0 0 "[ . 1]" 1
408 1 39 ASP HA 1 40 ARG H 2.880 . 2.880 2.123 2.084 2.139 . 0 0 "[ . 1]" 1
409 1 39 ASP HA 1 41 GLU H 4.660 . 4.660 3.744 3.688 3.830 . 0 0 "[ . 1]" 1
410 1 39 ASP HA 1 78 LEU QB 5.370 . 5.370 5.413 5.348 5.492 0.122 3 0 "[ . 1]" 1
411 1 39 ASP HA 1 78 LEU QD 5.180 . 5.180 3.627 2.433 4.217 . 0 0 "[ . 1]" 1
412 1 39 ASP QB 1 41 GLU H 4.980 . 4.980 3.334 3.240 3.458 . 0 0 "[ . 1]" 1
413 1 39 ASP QB 1 42 ARG H 3.970 . 3.970 2.512 2.402 2.808 . 0 0 "[ . 1]" 1
414 1 39 ASP QB 1 42 ARG QB 2.990 . 2.990 2.309 2.237 2.677 . 0 0 "[ . 1]" 1
415 1 40 ARG H 1 40 ARG HB2 3.770 . 3.770 3.052 2.376 3.683 . 0 0 "[ . 1]" 1
416 1 40 ARG H 1 40 ARG QB 2.930 . 2.930 2.539 2.344 2.739 . 0 0 "[ . 1]" 1
417 1 40 ARG H 1 40 ARG HB3 3.770 . 3.770 3.178 2.613 3.641 . 0 0 "[ . 1]" 1
418 1 40 ARG H 1 41 GLU H 3.630 . 3.630 2.917 2.858 2.955 . 0 0 "[ . 1]" 1
419 1 40 ARG H 1 41 GLU QB 5.810 . 5.810 4.486 4.434 4.554 . 0 0 "[ . 1]" 1
420 1 40 ARG H 1 42 ARG QB 5.810 . 5.810 5.228 5.154 5.443 . 0 0 "[ . 1]" 1
421 1 40 ARG H 1 75 PHE HA 6.000 . 6.000 6.237 5.942 6.407 0.407 5 0 "[ . 1]" 1
422 1 40 ARG H 1 78 LEU QB 4.180 . 4.180 4.111 3.930 4.230 0.050 3 0 "[ . 1]" 1
423 1 40 ARG H 1 78 LEU QD 4.730 . 4.730 2.672 1.793 3.302 0.007 3 0 "[ . 1]" 1
424 1 40 ARG HA 1 43 PHE H 4.490 . 4.490 3.378 3.294 3.484 . 0 0 "[ . 1]" 1
425 1 40 ARG HA 1 43 PHE HB2 5.320 . 5.320 3.095 2.953 3.349 . 0 0 "[ . 1]" 1
426 1 40 ARG HA 1 43 PHE HB3 4.000 . 4.000 3.017 2.860 3.240 . 0 0 "[ . 1]" 1
427 1 40 ARG HA 1 44 LEU H 5.600 . 5.600 3.936 3.672 4.118 . 0 0 "[ . 1]" 1
428 1 40 ARG HA 1 44 LEU QD 4.950 . 4.950 3.460 3.205 3.603 . 0 0 "[ . 1]" 1
429 1 40 ARG HA 1 78 LEU QD 3.450 . 3.450 2.042 1.947 2.228 . 0 0 "[ . 1]" 1
430 1 40 ARG QB 1 41 GLU H 3.450 . 3.450 3.150 2.739 3.553 0.103 1 0 "[ . 1]" 1
431 1 40 ARG HB2 1 41 GLU H 4.210 . 4.210 3.328 2.839 3.803 . 0 0 "[ . 1]" 1
432 1 40 ARG HB3 1 41 GLU H 4.210 . 4.210 3.939 3.598 4.292 0.082 1 0 "[ . 1]" 1
433 1 41 GLU H 1 41 GLU HB2 2.920 . 2.920 2.028 1.993 2.060 . 0 0 "[ . 1]" 1
434 1 41 GLU H 1 41 GLU QB 2.440 . 2.440 2.001 1.968 2.030 . 0 0 "[ . 1]" 1
435 1 41 GLU H 1 41 GLU HB3 2.920 . 2.920 3.065 3.052 3.083 0.163 3 0 "[ . 1]" 1
436 1 41 GLU H 1 42 ARG H 3.120 . 3.120 2.646 2.615 2.668 . 0 0 "[ . 1]" 1
437 1 41 GLU H 1 43 PHE H 5.970 . 5.970 4.078 4.007 4.149 . 0 0 "[ . 1]" 1
438 1 41 GLU H 1 44 LEU QD 5.780 . 5.780 4.340 4.143 4.473 . 0 0 "[ . 1]" 1
439 1 41 GLU HA 1 41 GLU QB 2.440 . 2.440 2.521 2.517 2.524 0.084 3 0 "[ . 1]" 1
440 1 41 GLU HA 1 44 LEU H 5.170 . 5.170 4.007 3.887 4.068 . 0 0 "[ . 1]" 1
441 1 41 GLU HA 1 44 LEU HB2 5.120 . 5.120 3.378 3.150 3.554 . 0 0 "[ . 1]" 1
442 1 41 GLU HA 1 44 LEU QB 4.460 . 4.460 3.319 3.103 3.487 . 0 0 "[ . 1]" 1
443 1 41 GLU HA 1 44 LEU HB3 5.120 . 5.120 4.874 4.669 5.055 . 0 0 "[ . 1]" 1
444 1 41 GLU HA 1 44 LEU QD 4.790 . 4.790 3.459 3.119 3.663 . 0 0 "[ . 1]" 1
445 1 41 GLU HA 1 45 ALA H 4.260 . 4.260 4.349 4.264 4.435 0.175 7 0 "[ . 1]" 1
446 1 41 GLU QB 1 42 ARG H 4.200 . 4.200 2.831 2.792 2.867 . 0 0 "[ . 1]" 1
447 1 42 ARG H 1 42 ARG QB 2.640 . 2.640 2.248 2.204 2.316 . 0 0 "[ . 1]" 1
448 1 42 ARG H 1 43 PHE H 3.290 . 3.290 2.456 2.415 2.495 . 0 0 "[ . 1]" 1
449 1 42 ARG H 1 43 PHE HB2 5.610 . 5.610 4.495 4.427 4.566 . 0 0 "[ . 1]" 1
450 1 42 ARG H 1 45 ALA H 6.000 . 6.000 4.849 4.784 4.907 . 0 0 "[ . 1]" 1
451 1 42 ARG HA 1 45 ALA MB 3.240 . 3.240 2.786 2.628 2.959 . 0 0 "[ . 1]" 1
452 1 42 ARG QB 1 43 PHE H 3.160 . 3.160 2.847 2.797 2.873 . 0 0 "[ . 1]" 1
453 1 43 PHE H 1 43 PHE HB2 3.340 . 3.340 2.321 2.298 2.384 . 0 0 "[ . 1]" 1
454 1 43 PHE H 1 43 PHE HB3 3.310 . 3.310 2.903 2.877 2.943 . 0 0 "[ . 1]" 1
455 1 43 PHE H 1 44 LEU H 3.900 . 3.900 2.690 2.644 2.719 . 0 0 "[ . 1]" 1
456 1 43 PHE H 1 45 ALA H 6.000 . 6.000 4.013 3.948 4.116 . 0 0 "[ . 1]" 1
457 1 43 PHE HA 1 43 PHE QD 3.420 . 3.420 3.095 3.044 3.124 . 0 0 "[ . 1]" 1
458 1 43 PHE HB2 1 43 PHE QD 2.920 . 2.920 2.358 2.342 2.379 . 0 0 "[ . 1]" 1
459 1 43 PHE HB2 1 44 LEU H 5.680 . 5.680 3.694 3.647 3.786 . 0 0 "[ . 1]" 1
460 1 43 PHE HB3 1 44 LEU H 3.630 . 3.630 2.705 2.672 2.804 . 0 0 "[ . 1]" 1
461 1 43 PHE HB3 1 77 LEU QD 4.110 . 4.110 4.299 4.136 4.365 0.255 2 0 "[ . 1]" 1
462 1 43 PHE QD 1 47 VAL HB 4.520 . 4.520 4.639 4.544 4.711 0.191 5 0 "[ . 1]" 1
463 1 43 PHE QD 1 74 VAL QG 3.280 . 3.280 2.182 2.126 2.270 . 0 0 "[ . 1]" 1
464 1 43 PHE QD 1 77 LEU MD1 5.600 . 5.600 3.595 3.474 3.748 . 0 0 "[ . 1]" 1
465 1 43 PHE QD 1 77 LEU MD2 5.600 . 5.600 4.562 4.340 4.687 . 0 0 "[ . 1]" 1
466 1 43 PHE QE 1 47 VAL MG2 5.310 . 5.310 2.930 2.629 3.052 . 0 0 "[ . 1]" 1
467 1 43 PHE QE 1 74 VAL QG 3.920 . 3.920 2.859 2.710 2.996 . 0 0 "[ . 1]" 1
468 1 43 PHE QE 1 77 LEU HB2 6.000 . 6.000 5.833 5.576 6.023 0.023 3 0 "[ . 1]" 1
469 1 43 PHE QE 1 77 LEU MD1 4.290 . 4.290 3.192 2.945 3.604 . 0 0 "[ . 1]" 1
470 1 43 PHE QE 1 77 LEU QD 3.620 . 3.620 2.992 2.807 3.221 . 0 0 "[ . 1]" 1
471 1 43 PHE QE 1 77 LEU MD2 4.290 . 4.290 3.645 3.528 3.867 . 0 0 "[ . 1]" 1
472 1 44 LEU H 1 44 LEU HB2 3.670 . 3.670 2.249 2.223 2.271 . 0 0 "[ . 1]" 1
473 1 44 LEU H 1 44 LEU QB 3.030 . 3.030 2.225 2.201 2.246 . 0 0 "[ . 1]" 1
474 1 44 LEU H 1 44 LEU HB3 3.670 . 3.670 3.540 3.522 3.556 . 0 0 "[ . 1]" 1
475 1 44 LEU H 1 44 LEU QD 3.620 . 3.620 2.950 2.842 3.058 . 0 0 "[ . 1]" 1
476 1 44 LEU H 1 44 LEU HG 3.380 . 3.380 3.096 3.028 3.182 . 0 0 "[ . 1]" 1
477 1 44 LEU H 1 45 ALA H 3.250 . 3.250 2.544 2.489 2.583 . 0 0 "[ . 1]" 1
478 1 44 LEU H 1 45 ALA MB 5.020 . 5.020 4.239 4.164 4.279 . 0 0 "[ . 1]" 1
479 1 44 LEU H 1 47 VAL MG2 6.000 . 6.000 4.662 4.545 4.804 . 0 0 "[ . 1]" 1
480 1 44 LEU H 1 77 LEU QD 6.000 . 6.000 6.210 6.086 6.313 0.313 7 0 "[ . 1]" 1
481 1 44 LEU HA 1 44 LEU QD 3.000 . 3.000 2.656 2.605 2.711 . 0 0 "[ . 1]" 1
482 1 44 LEU HA 1 44 LEU HG 3.380 . 3.380 2.393 2.360 2.429 . 0 0 "[ . 1]" 1
483 1 44 LEU HA 1 45 ALA MB 5.140 . 5.140 5.043 5.024 5.060 . 0 0 "[ . 1]" 1
484 1 44 LEU HA 1 46 GLN H 6.000 . 6.000 4.296 4.250 4.337 . 0 0 "[ . 1]" 1
485 1 44 LEU HA 1 47 VAL HB 3.620 . 3.620 3.164 2.927 3.429 . 0 0 "[ . 1]" 1
486 1 44 LEU HA 1 47 VAL MG2 4.300 . 4.300 3.330 3.099 3.571 . 0 0 "[ . 1]" 1
487 1 44 LEU HA 1 71 ALA MB 6.000 . 6.000 5.299 5.085 5.416 . 0 0 "[ . 1]" 1
488 1 44 LEU QB 1 45 ALA H 3.080 . 3.080 2.806 2.752 2.906 . 0 0 "[ . 1]" 1
489 1 44 LEU QD 1 45 ALA H 4.450 . 4.450 4.187 4.151 4.275 . 0 0 "[ . 1]" 1
490 1 44 LEU QD 1 47 VAL H 5.690 . 5.690 5.375 5.252 5.504 . 0 0 "[ . 1]" 1
491 1 44 LEU QD 1 71 ALA H 5.340 . 5.340 4.716 4.564 5.024 . 0 0 "[ . 1]" 1
492 1 44 LEU QD 1 71 ALA HA 5.210 . 5.210 2.732 2.589 3.158 . 0 0 "[ . 1]" 1
493 1 44 LEU QD 1 71 ALA MB 3.040 . 3.040 2.230 2.101 2.380 . 0 0 "[ . 1]" 1
494 1 44 LEU QD 1 73 LYS H 5.920 . 5.920 5.126 4.882 5.430 . 0 0 "[ . 1]" 1
495 1 44 LEU MD1 1 45 ALA H 5.290 . 5.290 4.522 4.456 4.662 . 0 0 "[ . 1]" 1
496 1 44 LEU MD2 1 45 ALA H 5.290 . 5.290 4.943 4.889 4.982 . 0 0 "[ . 1]" 1
497 1 45 ALA H 1 45 ALA HA 2.860 . 2.860 2.888 2.862 2.907 0.047 7 0 "[ . 1]" 1
498 1 45 ALA H 1 45 ALA MB 2.600 . 2.600 2.270 2.256 2.284 . 0 0 "[ . 1]" 1
499 1 45 ALA H 1 46 GLN H 3.030 . 3.030 2.531 2.436 2.653 . 0 0 "[ . 1]" 1
500 1 45 ALA H 1 46 GLN QB 4.790 . 4.790 4.258 4.097 4.383 . 0 0 "[ . 1]" 1
501 1 45 ALA HA 1 47 VAL H 5.870 . 5.870 4.581 4.513 4.620 . 0 0 "[ . 1]" 1
502 1 45 ALA HA 1 48 GLU H 3.910 . 3.910 3.811 3.730 3.860 . 0 0 "[ . 1]" 1
503 1 45 ALA HA 1 48 GLU QB 3.550 . 3.550 2.873 2.738 2.983 . 0 0 "[ . 1]" 1
504 1 45 ALA HA 1 48 GLU QG 3.780 . 3.780 3.971 3.897 4.017 0.237 8 0 "[ . 1]" 1
505 1 45 ALA MB 1 46 GLN H 2.820 . 2.820 2.803 2.736 2.878 0.058 7 0 "[ . 1]" 1
506 1 45 ALA MB 1 47 VAL H 4.630 . 4.630 4.738 4.687 4.780 0.150 6 0 "[ . 1]" 1
507 1 45 ALA MB 1 48 GLU H 4.880 . 4.880 4.919 4.884 4.955 0.075 5 0 "[ . 1]" 1
508 1 45 ALA MB 1 49 GLU H 5.490 . 5.490 5.044 4.937 5.155 . 0 0 "[ . 1]" 1
509 1 46 GLN H 1 46 GLN QB 2.840 . 2.840 2.143 2.101 2.186 . 0 0 "[ . 1]" 1
510 1 46 GLN H 1 47 VAL H 3.220 . 3.220 2.545 2.530 2.556 . 0 0 "[ . 1]" 1
511 1 46 GLN HA 1 46 GLN QG 3.270 . 3.270 2.270 2.190 2.379 . 0 0 "[ . 1]" 1
512 1 46 GLN HA 1 49 GLU H 4.030 . 4.030 3.567 3.467 3.698 . 0 0 "[ . 1]" 1
513 1 46 GLN HA 1 49 GLU QG 4.110 . 4.110 4.157 3.853 4.283 0.173 7 0 "[ . 1]" 1
514 1 46 GLN QB 1 47 VAL H 3.110 . 3.110 2.822 2.768 2.887 . 0 0 "[ . 1]" 1
515 1 46 GLN QG 1 47 VAL H 4.800 . 4.800 4.492 4.399 4.537 . 0 0 "[ . 1]" 1
516 1 47 VAL H 1 47 VAL HB 2.820 . 2.820 2.639 2.520 2.710 . 0 0 "[ . 1]" 1
517 1 47 VAL H 1 47 VAL MG1 3.830 . 3.830 3.903 3.875 3.916 0.086 6 0 "[ . 1]" 1
518 1 47 VAL H 1 47 VAL MG2 3.220 . 3.220 2.286 2.229 2.380 . 0 0 "[ . 1]" 1
519 1 47 VAL H 1 48 GLU H 3.290 . 3.290 2.628 2.578 2.644 . 0 0 "[ . 1]" 1
520 1 47 VAL H 1 49 GLU H 6.000 . 6.000 4.000 3.949 4.062 . 0 0 "[ . 1]" 1
521 1 47 VAL HA 1 47 VAL MG1 3.440 . 3.440 2.594 2.542 2.661 . 0 0 "[ . 1]" 1
522 1 47 VAL HA 1 47 VAL MG2 3.530 . 3.530 2.493 2.409 2.545 . 0 0 "[ . 1]" 1
523 1 47 VAL HA 1 50 PHE H 4.490 . 4.490 3.575 3.486 3.717 . 0 0 "[ . 1]" 1
524 1 47 VAL HA 1 50 PHE QB 4.410 . 4.410 3.121 2.669 3.363 . 0 0 "[ . 1]" 1
525 1 47 VAL HB 1 48 GLU H 4.200 . 4.200 2.889 2.826 2.938 . 0 0 "[ . 1]" 1
526 1 47 VAL MG1 1 48 GLU H 3.860 . 3.860 3.752 3.652 3.826 . 0 0 "[ . 1]" 1
527 1 47 VAL MG1 1 48 GLU QG 5.140 . 5.140 4.030 3.912 4.195 . 0 0 "[ . 1]" 1
528 1 47 VAL MG1 1 49 GLU H 6.000 . 6.000 5.191 5.131 5.293 . 0 0 "[ . 1]" 1
529 1 47 VAL MG1 1 50 PHE H 6.000 . 6.000 4.983 4.871 5.143 . 0 0 "[ . 1]" 1
530 1 47 VAL MG1 1 63 GLY H 5.080 . 5.080 4.174 4.075 4.305 . 0 0 "[ . 1]" 1
531 1 47 VAL MG1 1 63 GLY HA2 4.490 . 4.490 3.175 3.004 3.379 . 0 0 "[ . 1]" 1
532 1 47 VAL MG1 1 63 GLY HA3 4.530 . 4.530 2.398 2.347 2.473 . 0 0 "[ . 1]" 1
533 1 47 VAL MG1 1 66 LEU H 5.980 . 5.980 5.938 5.815 6.023 0.043 1 0 "[ . 1]" 1
534 1 47 VAL MG2 1 48 GLU H 4.240 . 4.240 4.000 3.932 4.086 . 0 0 "[ . 1]" 1
535 1 47 VAL MG2 1 52 PHE QD 5.560 . 5.560 5.444 5.287 5.547 . 0 0 "[ . 1]" 1
536 1 47 VAL MG2 1 52 PHE QE 5.240 . 5.240 3.680 3.535 3.807 . 0 0 "[ . 1]" 1
537 1 48 GLU H 1 48 GLU QB 3.020 . 3.020 2.337 2.312 2.362 . 0 0 "[ . 1]" 1
538 1 48 GLU H 1 48 GLU QG 3.540 . 3.540 2.562 2.542 2.591 . 0 0 "[ . 1]" 1
539 1 48 GLU H 1 49 GLU H 3.360 . 3.360 2.604 2.531 2.666 . 0 0 "[ . 1]" 1
540 1 48 GLU H 1 49 GLU HA 6.000 . 6.000 5.299 5.232 5.354 . 0 0 "[ . 1]" 1
541 1 48 GLU H 1 64 LYS H 5.680 . 5.680 5.678 5.468 5.768 0.088 4 0 "[ . 1]" 1
542 1 48 GLU H 1 64 LYS HA 6.000 . 6.000 5.656 5.585 5.718 . 0 0 "[ . 1]" 1
543 1 48 GLU HA 1 48 GLU QB 2.590 . 2.590 2.427 2.419 2.438 . 0 0 "[ . 1]" 1
544 1 48 GLU HA 1 48 GLU HG2 3.720 . 3.720 2.451 2.431 2.497 . 0 0 "[ . 1]" 1
545 1 48 GLU HA 1 48 GLU QG 3.050 . 3.050 2.363 2.349 2.393 . 0 0 "[ . 1]" 1
546 1 48 GLU HA 1 48 GLU HG3 3.720 . 3.720 3.101 3.034 3.144 . 0 0 "[ . 1]" 1
547 1 48 GLU HA 1 64 LYS H 3.190 . 3.190 2.829 2.588 2.921 . 0 0 "[ . 1]" 1
548 1 48 GLU HA 1 64 LYS HA 3.220 . 3.220 3.332 3.274 3.406 0.186 8 0 "[ . 1]" 1
549 1 48 GLU HA 1 64 LYS QB 3.310 . 3.310 3.242 3.148 3.327 0.017 4 0 "[ . 1]" 1
550 1 48 GLU HA 1 65 THR H 6.000 . 6.000 4.913 4.853 4.970 . 0 0 "[ . 1]" 1
551 1 48 GLU HA 1 66 LEU H 5.580 . 5.580 5.565 5.457 5.684 0.104 9 0 "[ . 1]" 1
552 1 48 GLU QB 1 48 GLU QG 2.170 . 2.170 2.090 2.088 2.093 . 0 0 "[ . 1]" 1
553 1 48 GLU QB 1 49 GLU H 3.220 . 3.220 2.942 2.753 3.001 . 0 0 "[ . 1]" 1
554 1 48 GLU QB 1 64 LYS HA 5.440 . 5.440 3.243 3.091 3.395 . 0 0 "[ . 1]" 1
555 1 48 GLU QG 1 49 GLU H 4.910 . 4.910 4.378 4.301 4.409 . 0 0 "[ . 1]" 1
556 1 48 GLU QG 1 64 LYS H 4.820 . 4.820 3.943 3.755 4.024 . 0 0 "[ . 1]" 1
557 1 48 GLU QG 1 64 LYS HA 2.940 . 2.940 2.401 2.332 2.557 . 0 0 "[ . 1]" 1
558 1 49 GLU H 1 49 GLU QB 2.850 . 2.850 2.291 2.202 2.343 . 0 0 "[ . 1]" 1
559 1 49 GLU H 1 49 GLU QG 3.670 . 3.670 2.987 2.917 3.129 . 0 0 "[ . 1]" 1
560 1 49 GLU H 1 50 PHE H 3.060 . 3.060 2.311 2.227 2.454 . 0 0 "[ . 1]" 1
561 1 49 GLU HA 1 49 GLU QB 2.520 . 2.520 2.457 2.445 2.478 . 0 0 "[ . 1]" 1
562 1 49 GLU HA 1 49 GLU QG 3.500 . 3.500 2.350 2.312 2.401 . 0 0 "[ . 1]" 1
563 1 49 GLU QB 1 50 PHE H 4.020 . 4.020 3.004 2.934 3.204 . 0 0 "[ . 1]" 1
564 1 50 PHE H 1 50 PHE HB2 3.150 . 3.150 2.316 2.210 2.428 . 0 0 "[ . 1]" 1
565 1 50 PHE H 1 50 PHE HB3 3.150 . 3.150 3.288 3.129 3.575 0.425 8 0 "[ . 1]" 1
566 1 50 PHE H 1 51 VAL H 4.620 . 4.620 4.545 4.476 4.584 . 0 0 "[ . 1]" 1
567 1 50 PHE H 1 63 GLY H 6.000 . 6.000 4.454 4.101 4.611 . 0 0 "[ . 1]" 1
568 1 50 PHE HA 1 51 VAL H 2.830 . 2.830 2.219 2.152 2.306 . 0 0 "[ . 1]" 1
569 1 50 PHE HA 1 51 VAL QG 4.420 . 4.420 3.886 3.353 4.214 . 0 0 "[ . 1]" 1
570 1 50 PHE QB 1 51 VAL H 4.360 . 4.360 3.078 2.899 3.270 . 0 0 "[ . 1]" 1
571 1 51 VAL H 1 51 VAL HB 3.110 . 3.110 2.927 2.562 3.617 0.507 9 1 "[ . +1]" 1
572 1 51 VAL H 1 51 VAL MG1 4.640 . 4.640 2.844 2.465 3.875 . 0 0 "[ . 1]" 1
573 1 51 VAL H 1 51 VAL QG 3.170 . 3.170 2.420 2.085 2.727 . 0 0 "[ . 1]" 1
574 1 51 VAL H 1 51 VAL MG2 4.640 . 4.640 3.242 2.123 3.912 . 0 0 "[ . 1]" 1
575 1 51 VAL H 1 52 PHE H 5.560 . 5.560 4.551 4.491 4.574 . 0 0 "[ . 1]" 1
576 1 51 VAL HA 1 51 VAL MG1 3.550 . 3.550 2.899 2.213 3.306 . 0 0 "[ . 1]" 1
577 1 51 VAL HA 1 51 VAL QG 3.060 . 3.060 2.217 2.180 2.270 . 0 0 "[ . 1]" 1
578 1 51 VAL HA 1 51 VAL MG2 3.550 . 3.550 2.589 2.240 3.277 . 0 0 "[ . 1]" 1
579 1 51 VAL HA 1 52 PHE H 3.020 . 3.020 2.290 2.161 2.333 . 0 0 "[ . 1]" 1
580 1 51 VAL HA 1 52 PHE QB 5.710 . 5.710 4.347 4.317 4.404 . 0 0 "[ . 1]" 1
581 1 51 VAL HA 1 61 PHE H 5.460 . 5.460 4.475 3.935 4.915 . 0 0 "[ . 1]" 1
582 1 51 VAL HA 1 62 TYR H 5.940 . 5.940 4.895 4.651 5.083 . 0 0 "[ . 1]" 1
583 1 51 VAL HA 1 62 TYR HA 3.590 . 3.590 2.537 2.421 2.981 . 0 0 "[ . 1]" 1
584 1 51 VAL HA 1 63 GLY H 4.670 . 4.670 3.795 3.567 4.532 . 0 0 "[ . 1]" 1
585 1 51 VAL QG 1 52 PHE H 3.300 . 3.300 2.428 2.016 3.073 . 0 0 "[ . 1]" 1
586 1 51 VAL QG 1 52 PHE HA 5.050 . 5.050 3.904 3.630 4.357 . 0 0 "[ . 1]" 1
587 1 51 VAL QG 1 60 GLU H 5.920 . 5.920 4.698 4.592 4.866 . 0 0 "[ . 1]" 1
588 1 51 VAL QG 1 60 GLU QB 2.970 . 2.970 2.102 1.997 2.292 . 0 0 "[ . 1]" 1
589 1 51 VAL QG 1 60 GLU QG 3.670 . 3.670 2.663 2.235 2.829 . 0 0 "[ . 1]" 1
590 1 51 VAL QG 1 61 PHE H 3.510 . 3.510 2.824 2.433 3.190 . 0 0 "[ . 1]" 1
591 1 51 VAL QG 1 62 TYR HA 3.840 . 3.840 2.608 2.413 3.662 . 0 0 "[ . 1]" 1
592 1 51 VAL QG 1 62 TYR QE 3.710 . 3.710 2.783 2.608 3.019 . 0 0 "[ . 1]" 1
593 1 51 VAL QG 1 63 GLY H 5.920 . 5.920 4.332 4.126 5.049 . 0 0 "[ . 1]" 1
594 1 51 VAL MG1 1 52 PHE H 4.620 . 4.620 3.222 2.467 3.581 . 0 0 "[ . 1]" 1
595 1 51 VAL MG1 1 60 GLU HA 4.160 . 4.160 4.175 2.756 4.535 0.375 1 0 "[ . 1]" 1
596 1 51 VAL MG1 1 62 TYR H 6.000 . 6.000 5.156 3.267 6.143 0.143 6 0 "[ . 1]" 1
597 1 51 VAL MG1 1 62 TYR QD 4.240 . 4.240 3.969 2.724 4.595 0.355 7 0 "[ . 1]" 1
598 1 51 VAL MG1 1 62 TYR QE 4.280 . 4.280 3.515 2.706 4.306 0.026 2 0 "[ . 1]" 1
599 1 51 VAL MG2 1 52 PHE H 4.620 . 4.620 2.860 2.036 3.995 . 0 0 "[ . 1]" 1
600 1 51 VAL MG2 1 60 GLU HA 4.160 . 4.160 3.997 3.541 4.743 0.583 2 1 "[ + . 1]" 1
601 1 51 VAL MG2 1 62 TYR H 6.000 . 6.000 4.384 3.363 6.002 0.002 9 0 "[ . 1]" 1
602 1 51 VAL MG2 1 62 TYR QD 4.240 . 4.240 3.341 2.768 4.506 0.266 5 0 "[ . 1]" 1
603 1 51 VAL MG2 1 62 TYR QE 4.280 . 4.280 3.173 2.630 3.839 . 0 0 "[ . 1]" 1
604 1 52 PHE H 1 52 PHE HB2 4.000 . 4.000 2.726 2.645 2.787 . 0 0 "[ . 1]" 1
605 1 52 PHE H 1 52 PHE QB 3.300 . 3.300 2.671 2.597 2.727 . 0 0 "[ . 1]" 1
606 1 52 PHE H 1 52 PHE HB3 4.000 . 4.000 3.833 3.788 3.868 . 0 0 "[ . 1]" 1
607 1 52 PHE H 1 53 LYS H 6.000 . 6.000 4.417 4.365 4.500 . 0 0 "[ . 1]" 1
608 1 52 PHE H 1 60 GLU QB 4.320 . 4.320 4.093 3.712 4.634 0.314 2 0 "[ . 1]" 1
609 1 52 PHE H 1 62 TYR HA 4.260 . 4.260 3.690 3.460 4.074 . 0 0 "[ . 1]" 1
610 1 52 PHE H 1 62 TYR QD 5.450 . 5.450 5.367 5.080 5.750 0.300 9 0 "[ . 1]" 1
611 1 52 PHE H 1 63 GLY H 6.000 . 6.000 5.169 4.961 5.545 . 0 0 "[ . 1]" 1
612 1 52 PHE HA 1 53 LYS H 2.890 . 2.890 2.205 2.141 2.317 . 0 0 "[ . 1]" 1
613 1 52 PHE HA 1 53 LYS QB 5.800 . 5.800 4.182 3.892 4.419 . 0 0 "[ . 1]" 1
614 1 52 PHE QB 1 53 LYS H 2.940 . 2.940 2.736 2.635 2.778 . 0 0 "[ . 1]" 1
615 1 52 PHE QB 1 53 LYS HA 5.410 . 5.410 4.371 4.330 4.410 . 0 0 "[ . 1]" 1
616 1 52 PHE QB 1 53 LYS QB 5.090 . 5.090 4.612 4.527 4.989 . 0 0 "[ . 1]" 1
617 1 52 PHE QB 1 61 PHE H 4.880 . 4.880 3.835 3.616 4.207 . 0 0 "[ . 1]" 1
618 1 52 PHE HB2 1 53 LYS H 3.680 . 3.680 3.899 3.800 3.947 0.267 3 0 "[ . 1]" 1
619 1 52 PHE HB2 1 61 PHE H 5.610 . 5.610 3.974 3.735 4.357 . 0 0 "[ . 1]" 1
620 1 52 PHE HB3 1 53 LYS H 3.680 . 3.680 2.795 2.688 2.839 . 0 0 "[ . 1]" 1
621 1 52 PHE HB3 1 61 PHE H 5.610 . 5.610 5.052 4.808 5.545 . 0 0 "[ . 1]" 1
622 1 52 PHE QD 1 63 GLY HA2 6.000 . 6.000 4.143 3.873 4.404 . 0 0 "[ . 1]" 1
623 1 52 PHE QE 1 63 GLY HA2 3.970 . 3.970 3.931 3.876 4.080 0.110 9 0 "[ . 1]" 1
624 1 52 PHE QE 1 63 GLY HA3 3.870 . 3.870 3.278 3.071 3.440 . 0 0 "[ . 1]" 1
625 1 52 PHE QE 1 66 LEU QD 5.910 . 5.910 4.108 3.697 4.354 . 0 0 "[ . 1]" 1
626 1 53 LYS H 1 53 LYS QB 3.120 . 3.120 2.374 2.265 2.954 . 0 0 "[ . 1]" 1
627 1 53 LYS HA 1 54 CYS H 3.150 . 3.150 2.192 2.179 2.213 . 0 0 "[ . 1]" 1
628 1 53 LYS HA 1 60 GLU HA 3.780 . 3.780 2.751 2.472 3.500 . 0 0 "[ . 1]" 1
629 1 53 LYS HA 1 60 GLU QG 5.810 . 5.810 3.135 2.414 4.443 . 0 0 "[ . 1]" 1
630 1 53 LYS QB 1 54 CYS H 4.360 . 4.360 2.999 2.908 3.311 . 0 0 "[ . 1]" 1
631 1 54 CYS H 1 54 CYS HB2 3.710 . 3.710 2.782 2.686 2.871 . 0 0 "[ . 1]" 1
632 1 54 CYS H 1 54 CYS QB 3.150 . 3.150 2.388 2.334 2.472 . 0 0 "[ . 1]" 1
633 1 54 CYS H 1 54 CYS HB3 3.710 . 3.710 2.608 2.470 2.745 . 0 0 "[ . 1]" 1
634 1 54 CYS H 1 58 GLY H 5.700 . 5.700 3.616 3.192 4.037 . 0 0 "[ . 1]" 1
635 1 54 CYS H 1 58 GLY QA 4.510 . 4.510 3.631 2.954 4.143 . 0 0 "[ . 1]" 1
636 1 54 CYS H 1 59 GLU H 4.560 . 4.560 3.807 3.208 4.334 . 0 0 "[ . 1]" 1
637 1 54 CYS H 1 60 GLU HA 5.080 . 5.080 3.958 3.320 4.868 . 0 0 "[ . 1]" 1
638 1 54 CYS H 1 61 PHE QD 6.000 . 6.000 3.941 3.534 4.418 . 0 0 "[ . 1]" 1
639 1 54 CYS HA 1 61 PHE QE 4.390 . 4.390 2.704 2.412 3.184 . 0 0 "[ . 1]" 1
640 1 54 CYS QB 1 56 VAL H 4.900 . 4.900 3.543 3.340 3.723 . 0 0 "[ . 1]" 1
641 1 54 CYS QB 1 57 CYS H 3.750 . 3.750 2.800 2.600 3.023 . 0 0 "[ . 1]" 1
642 1 54 CYS QB 1 58 GLY H 3.160 . 3.160 2.053 1.806 2.336 . 0 0 "[ . 1]" 1
643 1 54 CYS QB 1 59 GLU H 3.200 . 3.200 2.912 2.629 3.219 0.019 6 0 "[ . 1]" 1
644 1 54 CYS QB 1 60 GLU H 5.810 . 5.810 5.694 5.214 6.079 0.269 2 0 "[ . 1]" 1
645 1 54 CYS QB 1 61 PHE QE 4.570 . 4.570 2.377 2.311 2.469 . 0 0 "[ . 1]" 1
646 1 55 PRO HA 1 58 GLY H 6.000 . 6.000 5.018 4.829 5.355 . 0 0 "[ . 1]" 1
647 1 55 PRO QB 1 56 VAL QG 4.320 . 4.320 3.500 3.124 3.822 . 0 0 "[ . 1]" 1
648 1 56 VAL H 1 56 VAL HB 3.200 . 3.200 2.960 2.918 3.055 . 0 0 "[ . 1]" 1
649 1 56 VAL H 1 56 VAL QG 2.970 . 2.970 2.247 2.034 2.402 . 0 0 "[ . 1]" 1
650 1 56 VAL H 1 57 CYS H 3.070 . 3.070 2.412 2.295 2.515 . 0 0 "[ . 1]" 1
651 1 56 VAL H 1 57 CYS HA 6.000 . 6.000 5.024 4.940 5.118 . 0 0 "[ . 1]" 1
652 1 56 VAL H 1 58 GLY H 3.740 . 3.740 3.897 3.832 3.996 0.256 10 0 "[ . 1]" 1
653 1 56 VAL HA 1 56 VAL QG 2.740 . 2.740 2.221 2.194 2.240 . 0 0 "[ . 1]" 1
654 1 56 VAL HB 1 57 CYS H 3.180 . 3.180 2.539 2.476 2.597 . 0 0 "[ . 1]" 1
655 1 56 VAL HB 1 58 GLY H 4.980 . 4.980 4.987 4.856 5.146 0.166 6 0 "[ . 1]" 1
656 1 56 VAL QG 1 57 CYS H 3.700 . 3.700 3.242 3.220 3.270 . 0 0 "[ . 1]" 1
657 1 56 VAL QG 1 57 CYS HA 5.640 . 5.640 4.151 4.097 4.227 . 0 0 "[ . 1]" 1
658 1 56 VAL QG 1 58 GLY H 5.380 . 5.380 4.915 4.813 5.022 . 0 0 "[ . 1]" 1
659 1 57 CYS H 1 58 GLY H 3.120 . 3.120 2.466 2.350 2.582 . 0 0 "[ . 1]" 1
660 1 57 CYS H 1 58 GLY QA 5.810 . 5.810 4.208 4.121 4.322 . 0 0 "[ . 1]" 1
661 1 57 CYS H 1 59 GLU H 5.970 . 5.970 4.326 4.133 4.464 . 0 0 "[ . 1]" 1
662 1 57 CYS QB 1 58 GLY H 4.470 . 4.470 2.916 2.308 3.355 . 0 0 "[ . 1]" 1
663 1 57 CYS QB 1 59 GLU H 5.810 . 5.810 3.082 2.424 3.698 . 0 0 "[ . 1]" 1
664 1 58 GLY H 1 59 GLU H 3.540 . 3.540 2.216 2.061 2.349 . 0 0 "[ . 1]" 1
665 1 59 GLU H 1 59 GLU QB 2.830 . 2.830 2.218 2.151 2.264 . 0 0 "[ . 1]" 1
666 1 59 GLU HA 1 60 GLU H 2.940 . 2.940 2.299 2.204 2.470 . 0 0 "[ . 1]" 1
667 1 59 GLU QB 1 60 GLU H 3.870 . 3.870 2.753 2.423 2.987 . 0 0 "[ . 1]" 1
668 1 60 GLU H 1 60 GLU QB 3.100 . 3.100 2.259 2.120 2.376 . 0 0 "[ . 1]" 1
669 1 60 GLU H 1 60 GLU HG2 4.870 . 4.870 4.102 3.901 4.293 . 0 0 "[ . 1]" 1
670 1 60 GLU H 1 60 GLU QG 4.160 . 4.160 2.904 2.794 3.091 . 0 0 "[ . 1]" 1
671 1 60 GLU H 1 60 GLU HG3 4.870 . 4.870 2.970 2.863 3.170 . 0 0 "[ . 1]" 1
672 1 60 GLU HA 1 60 GLU HG2 3.960 . 3.960 2.570 2.504 2.665 . 0 0 "[ . 1]" 1
673 1 60 GLU HA 1 60 GLU QG 3.470 . 3.470 2.350 2.273 2.404 . 0 0 "[ . 1]" 1
674 1 60 GLU HA 1 60 GLU HG3 3.960 . 3.960 2.765 2.480 3.087 . 0 0 "[ . 1]" 1
675 1 60 GLU HA 1 61 PHE H 2.950 . 2.950 2.138 2.095 2.185 . 0 0 "[ . 1]" 1
676 1 60 GLU QB 1 61 PHE H 3.280 . 3.280 3.020 2.900 3.152 . 0 0 "[ . 1]" 1
677 1 60 GLU QG 1 61 PHE H 5.810 . 5.810 3.707 3.564 3.928 . 0 0 "[ . 1]" 1
678 1 61 PHE H 1 61 PHE QB 3.630 . 3.630 3.161 3.093 3.277 . 0 0 "[ . 1]" 1
679 1 61 PHE HA 1 62 TYR H 3.230 . 3.230 2.272 2.249 2.319 . 0 0 "[ . 1]" 1
680 1 61 PHE QB 1 61 PHE QD 2.520 . 2.520 2.142 2.139 2.145 . 0 0 "[ . 1]" 1
681 1 62 TYR H 1 62 TYR HB2 3.840 . 3.840 2.347 2.276 2.389 . 0 0 "[ . 1]" 1
682 1 62 TYR H 1 62 TYR HB3 3.880 . 3.880 3.594 3.475 3.631 . 0 0 "[ . 1]" 1
683 1 62 TYR H 1 62 TYR QE 5.550 . 5.550 4.954 4.857 5.453 . 0 0 "[ . 1]" 1
684 1 62 TYR H 1 63 GLY H 4.970 . 4.970 4.599 4.568 4.616 . 0 0 "[ . 1]" 1
685 1 62 TYR H 1 64 LYS H 5.880 . 5.880 4.932 4.734 5.075 . 0 0 "[ . 1]" 1
686 1 62 TYR H 1 65 THR MG 4.500 . 4.500 3.898 3.762 4.015 . 0 0 "[ . 1]" 1
687 1 62 TYR HA 1 62 TYR QD 4.490 . 4.490 2.912 2.804 3.025 . 0 0 "[ . 1]" 1
688 1 62 TYR HA 1 62 TYR QE 5.800 . 5.800 4.602 4.530 4.651 . 0 0 "[ . 1]" 1
689 1 62 TYR HA 1 63 GLY H 2.900 . 2.900 2.278 2.245 2.301 . 0 0 "[ . 1]" 1
690 1 62 TYR HA 1 63 GLY HA3 4.940 . 4.940 4.457 4.433 4.478 . 0 0 "[ . 1]" 1
691 1 62 TYR HA 1 64 LYS H 4.820 . 4.820 3.934 3.877 3.985 . 0 0 "[ . 1]" 1
692 1 62 TYR HB2 1 62 TYR QD 3.300 . 3.300 2.376 2.342 2.448 . 0 0 "[ . 1]" 1
693 1 62 TYR HB2 1 63 GLY H 4.180 . 4.180 4.017 3.956 4.123 . 0 0 "[ . 1]" 1
694 1 62 TYR HB2 1 64 LYS H 3.530 . 3.530 3.517 3.412 3.658 0.128 2 0 "[ . 1]" 1
695 1 62 TYR HB2 1 65 THR H 5.810 . 5.810 3.630 3.344 4.091 . 0 0 "[ . 1]" 1
696 1 62 TYR HB2 1 65 THR MG 4.530 . 4.530 3.075 2.965 3.432 . 0 0 "[ . 1]" 1
697 1 62 TYR HB3 1 63 GLY H 5.060 . 5.060 2.780 2.717 2.863 . 0 0 "[ . 1]" 1
698 1 62 TYR HB3 1 64 LYS H 3.960 . 3.960 2.395 2.227 2.447 . 0 0 "[ . 1]" 1
699 1 62 TYR HB3 1 65 THR H 4.710 . 4.710 3.653 3.503 3.895 . 0 0 "[ . 1]" 1
700 1 62 TYR HB3 1 65 THR MG 3.840 . 3.840 4.020 3.958 4.112 0.272 4 0 "[ . 1]" 1
701 1 62 TYR QD 1 63 GLY H 4.520 . 4.520 3.441 3.089 3.568 . 0 0 "[ . 1]" 1
702 1 63 GLY H 1 64 LYS H 4.110 . 4.110 2.597 2.521 2.643 . 0 0 "[ . 1]" 1
703 1 63 GLY H 1 66 LEU H 5.650 . 5.650 5.699 5.555 5.858 0.208 5 0 "[ . 1]" 1
704 1 63 GLY H 1 66 LEU QD 5.920 . 5.920 4.321 4.159 4.410 . 0 0 "[ . 1]" 1
705 1 63 GLY HA2 1 65 THR H 6.000 . 6.000 3.832 3.687 3.943 . 0 0 "[ . 1]" 1
706 1 63 GLY HA2 1 66 LEU H 5.490 . 5.490 3.805 3.698 3.914 . 0 0 "[ . 1]" 1
707 1 63 GLY HA2 1 66 LEU QD 4.560 . 4.560 2.176 2.122 2.299 . 0 0 "[ . 1]" 1
708 1 63 GLY HA3 1 66 LEU QB 5.010 . 5.010 4.333 3.956 5.259 0.249 9 0 "[ . 1]" 1
709 1 63 GLY HA3 1 66 LEU QD 4.100 . 4.100 3.253 2.752 3.595 . 0 0 "[ . 1]" 1
710 1 64 LYS H 1 64 LYS HB2 3.070 . 3.070 2.315 2.252 2.350 . 0 0 "[ . 1]" 1
711 1 64 LYS H 1 64 LYS QB 2.650 . 2.650 2.242 2.190 2.274 . 0 0 "[ . 1]" 1
712 1 64 LYS H 1 64 LYS HB3 3.070 . 3.070 2.997 2.971 3.027 . 0 0 "[ . 1]" 1
713 1 64 LYS HA 1 65 THR MG 5.180 . 5.180 5.090 5.030 5.144 . 0 0 "[ . 1]" 1
714 1 64 LYS HA 1 66 LEU H 4.380 . 4.380 3.750 3.589 4.002 . 0 0 "[ . 1]" 1
715 1 65 THR H 1 65 THR HB 3.700 . 3.700 3.669 3.659 3.692 . 0 0 "[ . 1]" 1
716 1 65 THR H 1 65 THR MG 3.120 . 3.120 2.857 2.782 2.917 . 0 0 "[ . 1]" 1
717 1 65 THR H 1 66 LEU H 3.220 . 3.220 2.477 2.400 2.518 . 0 0 "[ . 1]" 1
718 1 65 THR H 1 66 LEU QB 5.040 . 5.040 4.131 3.855 4.763 . 0 0 "[ . 1]" 1
719 1 65 THR H 1 66 LEU QD 5.920 . 5.920 4.032 3.707 4.301 . 0 0 "[ . 1]" 1
720 1 65 THR HA 1 65 THR MG 3.430 . 3.430 2.296 2.280 2.312 . 0 0 "[ . 1]" 1
721 1 65 THR HA 1 66 LEU H 3.460 . 3.460 3.283 3.221 3.439 . 0 0 "[ . 1]" 1
722 1 65 THR MG 1 66 LEU H 5.460 . 5.460 4.434 4.368 4.471 . 0 0 "[ . 1]" 1
723 1 66 LEU H 1 66 LEU HB2 3.630 . 3.630 2.340 2.097 3.663 0.033 9 0 "[ . 1]" 1
724 1 66 LEU H 1 66 LEU QB 2.890 . 2.890 2.234 2.069 2.844 . 0 0 "[ . 1]" 1
725 1 66 LEU H 1 66 LEU HB3 3.630 . 3.630 3.315 2.963 3.599 . 0 0 "[ . 1]" 1
726 1 66 LEU HA 1 66 LEU QD 4.170 . 4.170 2.879 2.415 3.499 . 0 0 "[ . 1]" 1
727 1 66 LEU QD 1 71 ALA H 5.920 . 5.920 4.504 3.278 5.138 . 0 0 "[ . 1]" 1
728 1 66 LEU QD 1 71 ALA MB 5.110 . 5.110 4.325 2.584 4.772 . 0 0 "[ . 1]" 1
729 1 68 ARG HA 1 71 ALA H 3.950 . 3.950 3.431 3.159 3.702 . 0 0 "[ . 1]" 1
730 1 69 ARG H 1 70 GLU H 3.880 . 3.880 2.663 2.302 3.037 . 0 0 "[ . 1]" 1
731 1 69 ARG H 1 70 GLU HA 5.640 . 5.640 5.315 5.021 5.626 . 0 0 "[ . 1]" 1
732 1 69 ARG H 1 71 ALA H 6.000 . 6.000 4.030 3.883 4.219 . 0 0 "[ . 1]" 1
733 1 69 ARG HA 1 72 GLU H 4.210 . 4.210 3.744 3.651 3.810 . 0 0 "[ . 1]" 1
734 1 69 ARG QB 1 71 ALA H 5.310 . 5.310 4.707 4.602 4.790 . 0 0 "[ . 1]" 1
735 1 70 GLU H 1 71 ALA H 3.080 . 3.080 2.584 2.490 2.661 . 0 0 "[ . 1]" 1
736 1 70 GLU H 1 71 ALA HA 6.000 . 6.000 5.261 5.185 5.320 . 0 0 "[ . 1]" 1
737 1 70 GLU H 1 71 ALA MB 4.480 . 4.480 4.234 4.165 4.308 . 0 0 "[ . 1]" 1
738 1 70 GLU H 1 72 GLU H 5.610 . 5.610 4.228 4.112 4.319 . 0 0 "[ . 1]" 1
739 1 71 ALA H 1 71 ALA MB 2.940 . 2.940 2.233 2.218 2.241 . 0 0 "[ . 1]" 1
740 1 71 ALA H 1 72 GLU H 3.180 . 3.180 2.651 2.610 2.694 . 0 0 "[ . 1]" 1
741 1 71 ALA HA 1 74 VAL H 4.410 . 4.410 3.658 3.575 3.729 . 0 0 "[ . 1]" 1
742 1 71 ALA HA 1 74 VAL HB 4.140 . 4.140 3.887 3.699 4.079 . 0 0 "[ . 1]" 1
743 1 71 ALA HA 1 74 VAL QG 3.700 . 3.700 2.191 2.101 2.264 . 0 0 "[ . 1]" 1
744 1 71 ALA MB 1 72 GLU H 3.430 . 3.430 2.707 2.650 2.752 . 0 0 "[ . 1]" 1
745 1 71 ALA MB 1 73 LYS H 4.630 . 4.630 4.508 4.455 4.540 . 0 0 "[ . 1]" 1
746 1 71 ALA MB 1 74 VAL QG 3.590 . 3.590 3.406 3.290 3.468 . 0 0 "[ . 1]" 1
747 1 72 GLU H 1 73 LYS H 3.120 . 3.120 2.567 2.520 2.600 . 0 0 "[ . 1]" 1
748 1 72 GLU H 1 74 VAL H 5.070 . 5.070 4.149 4.091 4.215 . 0 0 "[ . 1]" 1
749 1 72 GLU HA 1 74 VAL H 5.480 . 5.480 4.084 4.032 4.139 . 0 0 "[ . 1]" 1
750 1 72 GLU HA 1 75 PHE H 4.120 . 4.120 3.641 3.510 3.752 . 0 0 "[ . 1]" 1
751 1 72 GLU HA 1 75 PHE QB 4.840 . 4.840 3.270 2.947 3.618 . 0 0 "[ . 1]" 1
752 1 72 GLU HA 1 76 GLU H 5.810 . 5.810 5.485 5.296 5.687 . 0 0 "[ . 1]" 1
753 1 73 LYS H 1 73 LYS QB 2.700 . 2.700 2.231 2.092 2.323 . 0 0 "[ . 1]" 1
754 1 73 LYS H 1 74 VAL H 3.030 . 3.030 2.579 2.540 2.625 . 0 0 "[ . 1]" 1
755 1 73 LYS H 1 74 VAL QG 5.920 . 5.920 3.608 3.508 3.689 . 0 0 "[ . 1]" 1
756 1 73 LYS H 1 75 PHE H 4.740 . 4.740 4.379 4.296 4.461 . 0 0 "[ . 1]" 1
757 1 73 LYS HA 1 76 GLU H 4.310 . 4.310 3.622 3.559 3.728 . 0 0 "[ . 1]" 1
758 1 73 LYS HA 1 76 GLU QG 5.010 . 5.010 4.700 4.567 4.888 . 0 0 "[ . 1]" 1
759 1 73 LYS QB 1 74 VAL QG 4.380 . 4.380 3.431 3.413 3.465 . 0 0 "[ . 1]" 1
760 1 74 VAL H 1 74 VAL HB 2.940 . 2.940 2.900 2.871 2.928 . 0 0 "[ . 1]" 1
761 1 74 VAL H 1 74 VAL MG1 3.940 . 3.940 3.866 3.847 3.882 . 0 0 "[ . 1]" 1
762 1 74 VAL H 1 74 VAL QG 3.090 . 3.090 1.952 1.885 1.990 . 0 0 "[ . 1]" 1
763 1 74 VAL H 1 74 VAL MG2 3.940 . 3.940 1.958 1.890 1.996 . 0 0 "[ . 1]" 1
764 1 74 VAL H 1 75 PHE H 2.980 . 2.980 2.736 2.685 2.770 . 0 0 "[ . 1]" 1
765 1 74 VAL H 1 76 GLU QB 5.310 . 5.310 4.894 4.760 4.972 . 0 0 "[ . 1]" 1
766 1 74 VAL H 1 77 LEU QD 5.690 . 5.690 4.302 4.192 4.445 . 0 0 "[ . 1]" 1
767 1 74 VAL HA 1 74 VAL MG1 3.460 . 3.460 2.366 2.338 2.384 . 0 0 "[ . 1]" 1
768 1 74 VAL HA 1 74 VAL QG 2.880 . 2.880 2.221 2.205 2.232 . 0 0 "[ . 1]" 1
769 1 74 VAL HA 1 74 VAL MG2 3.460 . 3.460 2.691 2.677 2.700 . 0 0 "[ . 1]" 1
770 1 74 VAL HA 1 77 LEU H 4.100 . 4.100 3.751 3.647 3.832 . 0 0 "[ . 1]" 1
771 1 74 VAL HA 1 77 LEU MD1 3.810 . 3.810 3.385 3.230 3.552 . 0 0 "[ . 1]" 1
772 1 74 VAL HA 1 77 LEU QD 3.110 . 3.110 2.196 2.135 2.355 . 0 0 "[ . 1]" 1
773 1 74 VAL HA 1 77 LEU MD2 3.810 . 3.810 2.226 2.155 2.415 . 0 0 "[ . 1]" 1
774 1 74 VAL HB 1 75 PHE H 3.910 . 3.910 2.906 2.818 2.988 . 0 0 "[ . 1]" 1
775 1 74 VAL QG 1 75 PHE H 3.860 . 3.860 3.464 3.421 3.497 . 0 0 "[ . 1]" 1
776 1 74 VAL QG 1 75 PHE HA 4.820 . 4.820 4.201 4.160 4.245 . 0 0 "[ . 1]" 1
777 1 74 VAL QG 1 94 LEU QD 4.300 . 4.300 4.561 4.512 4.615 0.315 7 0 "[ . 1]" 1
778 1 74 VAL MG1 1 75 PHE H 4.480 . 4.480 3.996 3.948 4.056 . 0 0 "[ . 1]" 1
779 1 74 VAL MG2 1 75 PHE H 4.480 . 4.480 3.799 3.750 3.846 . 0 0 "[ . 1]" 1
780 1 75 PHE H 1 75 PHE QB 2.810 . 2.810 2.123 2.008 2.261 . 0 0 "[ . 1]" 1
781 1 75 PHE H 1 76 GLU QB 5.420 . 5.420 4.415 4.326 4.472 . 0 0 "[ . 1]" 1
782 1 75 PHE H 1 77 LEU QD 5.890 . 5.890 4.626 4.602 4.690 . 0 0 "[ . 1]" 1
783 1 75 PHE HA 1 78 LEU H 4.560 . 4.560 3.746 3.606 3.918 . 0 0 "[ . 1]" 1
784 1 75 PHE HA 1 78 LEU QB 4.350 . 4.350 2.783 2.575 3.040 . 0 0 "[ . 1]" 1
785 1 75 PHE HA 1 78 LEU QD 4.070 . 4.070 2.954 2.611 3.543 . 0 0 "[ . 1]" 1
786 1 75 PHE QB 1 76 GLU H 4.130 . 4.130 2.945 2.895 3.005 . 0 0 "[ . 1]" 1
787 1 75 PHE QB 1 78 LEU QB 5.030 . 5.030 4.537 4.304 4.933 . 0 0 "[ . 1]" 1
788 1 76 GLU H 1 76 GLU QB 2.870 . 2.870 2.135 2.099 2.156 . 0 0 "[ . 1]" 1
789 1 76 GLU H 1 76 GLU QG 4.040 . 4.040 3.892 3.789 4.034 . 0 0 "[ . 1]" 1
790 1 76 GLU H 1 77 LEU H 3.180 . 3.180 2.692 2.666 2.726 . 0 0 "[ . 1]" 1
791 1 76 GLU H 1 77 LEU HB2 5.860 . 5.860 6.254 6.232 6.274 0.414 7 0 "[ . 1]" 1
792 1 76 GLU H 1 77 LEU MD1 6.000 . 6.000 5.163 4.978 5.247 . 0 0 "[ . 1]" 1
793 1 76 GLU H 1 77 LEU MD2 6.000 . 6.000 4.528 4.415 4.795 . 0 0 "[ . 1]" 1
794 1 76 GLU H 1 77 LEU HG 4.680 . 4.680 3.923 3.879 3.963 . 0 0 "[ . 1]" 1
795 1 76 GLU H 1 79 ASN H 6.000 . 6.000 4.755 4.651 4.899 . 0 0 "[ . 1]" 1
796 1 76 GLU HA 1 76 GLU QG 3.650 . 3.650 2.290 2.266 2.313 . 0 0 "[ . 1]" 1
797 1 76 GLU HA 1 79 ASN H 3.900 . 3.900 3.593 3.540 3.630 . 0 0 "[ . 1]" 1
798 1 76 GLU HA 1 79 ASN QB 3.500 . 3.500 2.753 2.601 2.987 . 0 0 "[ . 1]" 1
799 1 76 GLU QB 1 77 LEU H 3.940 . 3.940 2.664 2.622 2.712 . 0 0 "[ . 1]" 1
800 1 76 GLU QG 1 77 LEU H 5.130 . 5.130 4.265 4.189 4.296 . 0 0 "[ . 1]" 1
801 1 76 GLU QG 1 77 LEU HA 4.470 . 4.470 4.725 4.600 4.783 0.313 9 0 "[ . 1]" 1
802 1 76 GLU QG 1 79 ASN H 4.910 . 4.910 5.127 5.090 5.174 0.264 9 0 "[ . 1]" 1
803 1 77 LEU H 1 77 LEU HB2 3.400 . 3.400 3.607 3.596 3.627 0.227 1 0 "[ . 1]" 1
804 1 77 LEU H 1 77 LEU MD1 3.480 . 3.480 3.543 3.441 3.604 0.124 7 0 "[ . 1]" 1
805 1 77 LEU H 1 77 LEU MD2 3.480 . 3.480 3.066 2.954 3.239 . 0 0 "[ . 1]" 1
806 1 77 LEU H 1 77 LEU HG 2.590 . 2.590 2.015 1.984 2.045 . 0 0 "[ . 1]" 1
807 1 77 LEU H 1 78 LEU QD 5.340 . 5.340 4.236 4.058 5.050 . 0 0 "[ . 1]" 1
808 1 77 LEU H 1 79 ASN H 5.490 . 5.490 4.014 3.934 4.138 . 0 0 "[ . 1]" 1
809 1 77 LEU H 1 79 ASN QB 5.810 . 5.810 4.975 4.843 5.199 . 0 0 "[ . 1]" 1
810 1 77 LEU HA 1 77 LEU HB3 2.710 . 2.710 2.358 2.339 2.371 . 0 0 "[ . 1]" 1
811 1 77 LEU HA 1 77 LEU QD 3.680 . 3.680 3.485 3.474 3.493 . 0 0 "[ . 1]" 1
812 1 77 LEU HA 1 79 ASN H 4.640 . 4.640 4.189 4.073 4.436 . 0 0 "[ . 1]" 1
813 1 77 LEU HA 1 80 ASP H 3.630 . 3.630 3.609 3.402 3.765 0.135 4 0 "[ . 1]" 1
814 1 77 LEU HA 1 80 ASP QB 3.740 . 3.740 3.077 2.794 3.453 . 0 0 "[ . 1]" 1
815 1 77 LEU HB2 1 77 LEU QD 2.540 . 2.540 2.099 2.090 2.107 . 0 0 "[ . 1]" 1
816 1 77 LEU HB3 1 77 LEU MD1 2.910 . 2.910 3.095 3.073 3.117 0.207 1 0 "[ . 1]" 1
817 1 77 LEU HB3 1 77 LEU MD2 2.910 . 2.910 2.178 2.171 2.183 . 0 0 "[ . 1]" 1
818 1 77 LEU QD 1 78 LEU H 4.510 . 4.510 2.682 2.342 2.799 . 0 0 "[ . 1]" 1
819 1 77 LEU QD 1 78 LEU HA 3.020 . 3.020 3.191 3.095 3.254 0.234 5 0 "[ . 1]" 1
820 1 77 LEU QD 1 79 ASN H 4.580 . 4.580 4.610 4.517 4.658 0.078 5 0 "[ . 1]" 1
821 1 77 LEU HG 1 78 LEU H 2.860 . 2.860 2.676 2.567 2.790 . 0 0 "[ . 1]" 1
822 1 78 LEU H 1 78 LEU QB 3.050 . 3.050 2.206 2.091 2.283 . 0 0 "[ . 1]" 1
823 1 78 LEU H 1 78 LEU QD 3.370 . 3.370 2.846 2.660 3.433 0.063 3 0 "[ . 1]" 1
824 1 78 LEU H 1 79 ASN H 3.100 . 3.100 2.511 2.465 2.636 . 0 0 "[ . 1]" 1
825 1 78 LEU HA 1 78 LEU MD1 4.220 . 4.220 3.578 2.923 3.699 . 0 0 "[ . 1]" 1
826 1 78 LEU HA 1 78 LEU QD 2.690 . 2.690 2.809 2.729 2.852 0.162 2 0 "[ . 1]" 1
827 1 78 LEU HA 1 78 LEU MD2 4.220 . 4.220 2.989 2.810 3.595 . 0 0 "[ . 1]" 1
828 1 78 LEU HA 1 80 ASP H 4.430 . 4.430 4.191 3.932 4.552 0.122 1 0 "[ . 1]" 1
829 1 78 LEU HA 1 81 PHE H 6.000 . 6.000 5.022 3.727 5.759 . 0 0 "[ . 1]" 1
830 1 78 LEU QB 1 78 LEU QD 2.350 . 2.350 1.867 1.860 1.878 . 0 0 "[ . 1]" 1
831 1 78 LEU QB 1 79 ASN H 3.300 . 3.300 2.994 2.745 3.104 . 0 0 "[ . 1]" 1
832 1 78 LEU HB2 1 78 LEU MD1 3.380 . 3.380 2.153 2.141 2.170 . 0 0 "[ . 1]" 1
833 1 78 LEU HB2 1 78 LEU MD2 3.380 . 3.380 2.967 2.803 3.045 . 0 0 "[ . 1]" 1
834 1 78 LEU HB2 1 79 ASN H 4.010 . 4.010 3.196 2.877 3.589 . 0 0 "[ . 1]" 1
835 1 78 LEU HB3 1 78 LEU MD1 3.380 . 3.380 2.904 2.824 3.036 . 0 0 "[ . 1]" 1
836 1 78 LEU HB3 1 78 LEU MD2 3.380 . 3.380 2.140 2.128 2.165 . 0 0 "[ . 1]" 1
837 1 78 LEU HB3 1 79 ASN H 4.010 . 4.010 3.702 3.106 3.878 . 0 0 "[ . 1]" 1
838 1 79 ASN H 1 79 ASN QB 3.030 . 3.030 2.218 2.152 2.296 . 0 0 "[ . 1]" 1
839 1 79 ASN H 1 80 ASP H 2.980 . 2.980 2.345 2.154 2.500 . 0 0 "[ . 1]" 1
840 1 79 ASN H 1 80 ASP HA 5.240 . 5.240 5.004 4.866 5.193 . 0 0 "[ . 1]" 1
841 1 79 ASN H 1 81 PHE H 4.910 . 4.910 4.793 4.096 5.086 0.176 8 0 "[ . 1]" 1
842 1 79 ASN QB 1 80 ASP H 3.680 . 3.680 3.196 2.909 3.340 . 0 0 "[ . 1]" 1
843 1 79 ASN HB2 1 80 ASP H 4.260 . 4.260 3.432 3.087 3.649 . 0 0 "[ . 1]" 1
844 1 79 ASN HB3 1 80 ASP H 4.260 . 4.260 3.818 3.557 3.981 . 0 0 "[ . 1]" 1
845 1 80 ASP H 1 80 ASP QB 3.680 . 3.680 2.320 2.186 2.467 . 0 0 "[ . 1]" 1
846 1 80 ASP H 1 81 PHE H 3.050 . 3.050 3.045 2.481 3.377 0.327 7 0 "[ . 1]" 1
847 1 80 ASP QB 1 81 PHE H 3.730 . 3.730 3.495 2.786 3.982 0.252 3 0 "[ . 1]" 1
848 1 81 PHE H 1 81 PHE HA 2.860 . 2.860 2.622 2.245 2.916 0.056 1 0 "[ . 1]" 1
849 1 81 PHE HA 1 81 PHE QD 3.420 . 3.420 3.013 2.965 3.088 . 0 0 "[ . 1]" 1
850 1 81 PHE QB 1 81 PHE QD 2.950 . 2.950 2.139 2.128 2.148 . 0 0 "[ . 1]" 1
851 1 82 LYS H 1 82 LYS QB 3.660 . 3.660 2.570 2.289 3.368 . 0 0 "[ . 1]" 1
852 1 82 LYS HA 1 82 LYS QB 2.620 . 2.620 2.457 2.205 2.517 . 0 0 "[ . 1]" 1
853 1 83 GLY QA 1 84 GLY H 2.890 . 2.890 2.162 2.069 2.368 . 0 0 "[ . 1]" 1
854 1 83 GLY QA 1 85 ILE MD 5.170 . 5.170 3.997 3.273 5.304 0.134 3 0 "[ . 1]" 1
855 1 84 GLY H 1 85 ILE H 3.500 . 3.500 2.957 2.716 3.138 . 0 0 "[ . 1]" 1
856 1 84 GLY H 1 85 ILE MD 4.860 . 4.860 3.713 2.855 4.993 0.133 4 0 "[ . 1]" 1
857 1 84 GLY H 1 93 LYS HB2 5.020 . 5.020 3.950 3.364 4.698 . 0 0 "[ . 1]" 1
858 1 84 GLY H 1 93 LYS QB 4.370 . 4.370 3.735 3.261 4.325 . 0 0 "[ . 1]" 1
859 1 84 GLY H 1 93 LYS HB3 5.020 . 5.020 4.710 3.843 5.086 0.066 4 0 "[ . 1]" 1
860 1 84 GLY H 1 93 LYS QG 5.810 . 5.810 5.513 4.736 6.039 0.229 4 0 "[ . 1]" 1
861 1 84 GLY QA 1 85 ILE H 2.990 . 2.990 2.650 2.538 2.838 . 0 0 "[ . 1]" 1
862 1 84 GLY QA 1 85 ILE QG 4.200 . 4.200 3.767 3.473 3.950 . 0 0 "[ . 1]" 1
863 1 84 GLY QA 1 93 LYS H 4.350 . 4.350 4.183 3.455 4.558 0.208 7 0 "[ . 1]" 1
864 1 84 GLY QA 1 93 LYS QB 4.360 . 4.360 2.540 2.064 2.992 . 0 0 "[ . 1]" 1
865 1 85 ILE H 1 85 ILE HB 3.050 . 3.050 3.014 2.936 3.055 0.005 2 0 "[ . 1]" 1
866 1 85 ILE H 1 85 ILE MD 4.750 . 4.750 2.695 2.332 2.903 . 0 0 "[ . 1]" 1
867 1 85 ILE H 1 85 ILE QG 3.320 . 3.320 2.851 2.757 2.949 . 0 0 "[ . 1]" 1
868 1 85 ILE H 1 85 ILE MG 4.320 . 4.320 4.024 3.990 4.041 . 0 0 "[ . 1]" 1
869 1 85 ILE H 1 86 ASP H 4.520 . 4.520 4.294 4.257 4.357 . 0 0 "[ . 1]" 1
870 1 85 ILE HA 1 85 ILE MD 4.170 . 4.170 3.907 3.786 3.978 . 0 0 "[ . 1]" 1
871 1 85 ILE HA 1 85 ILE QG 3.540 . 3.540 2.746 2.697 2.789 . 0 0 "[ . 1]" 1
872 1 85 ILE HA 1 86 ASP H 2.750 . 2.750 2.104 2.088 2.120 . 0 0 "[ . 1]" 1
873 1 85 ILE HA 1 92 VAL HA 3.540 . 3.540 2.891 2.518 3.286 . 0 0 "[ . 1]" 1
874 1 85 ILE HA 1 92 VAL QG 4.320 . 4.320 3.879 3.612 4.076 . 0 0 "[ . 1]" 1
875 1 85 ILE HB 1 85 ILE MD 3.250 . 3.250 2.219 2.198 2.229 . 0 0 "[ . 1]" 1
876 1 85 ILE HB 1 86 ASP H 5.140 . 5.140 4.046 4.010 4.106 . 0 0 "[ . 1]" 1
877 1 85 ILE MD 1 85 ILE MG 3.470 . 3.470 2.850 2.774 2.975 . 0 0 "[ . 1]" 1
878 1 85 ILE MG 1 86 ASP H 3.490 . 3.490 2.839 2.775 2.929 . 0 0 "[ . 1]" 1
879 1 85 ILE MG 1 87 TRP H 6.000 . 6.000 4.732 4.678 4.786 . 0 0 "[ . 1]" 1
880 1 85 ILE MG 1 87 TRP HA 4.850 . 4.850 4.539 4.423 4.661 . 0 0 "[ . 1]" 1
881 1 86 ASP H 1 86 ASP HB2 3.670 . 3.670 2.545 2.460 2.743 . 0 0 "[ . 1]" 1
882 1 86 ASP H 1 86 ASP QB 3.060 . 3.060 2.481 2.422 2.571 . 0 0 "[ . 1]" 1
883 1 86 ASP H 1 86 ASP HB3 3.670 . 3.670 3.546 3.068 3.690 0.020 1 0 "[ . 1]" 1
884 1 86 ASP H 1 87 TRP H 4.420 . 4.420 4.352 4.309 4.392 . 0 0 "[ . 1]" 1
885 1 86 ASP H 1 91 ARG H 4.390 . 4.390 2.898 2.679 3.173 . 0 0 "[ . 1]" 1
886 1 86 ASP HA 1 87 TRP H 2.920 . 2.920 2.133 2.121 2.151 . 0 0 "[ . 1]" 1
887 1 86 ASP HA 1 88 GLU H 4.740 . 4.740 3.930 3.843 4.005 . 0 0 "[ . 1]" 1
888 1 86 ASP QB 1 90 LYS QB 5.610 . 5.610 5.562 5.398 5.645 0.035 1 0 "[ . 1]" 1
889 1 86 ASP HB2 1 91 ARG H 4.100 . 4.100 3.251 3.009 3.967 . 0 0 "[ . 1]" 1
890 1 86 ASP HB3 1 91 ARG H 4.100 . 4.100 3.863 2.816 4.163 0.063 6 0 "[ . 1]" 1
891 1 87 TRP H 1 87 TRP HB2 3.740 . 3.740 2.351 2.305 2.422 . 0 0 "[ . 1]" 1
892 1 87 TRP H 1 87 TRP QB 3.090 . 3.090 2.322 2.279 2.389 . 0 0 "[ . 1]" 1
893 1 87 TRP H 1 87 TRP HB3 3.740 . 3.740 3.608 3.584 3.641 . 0 0 "[ . 1]" 1
894 1 87 TRP H 1 87 TRP HE1 6.000 . 6.000 5.135 5.007 5.218 . 0 0 "[ . 1]" 1
895 1 87 TRP H 1 88 GLU QB 5.660 . 5.660 4.361 4.273 4.414 . 0 0 "[ . 1]" 1
896 1 87 TRP H 1 89 ASN H 4.620 . 4.620 4.105 4.006 4.260 . 0 0 "[ . 1]" 1
897 1 87 TRP HA 1 87 TRP HE3 3.310 . 3.310 3.003 2.906 3.120 . 0 0 "[ . 1]" 1
898 1 87 TRP HA 1 90 LYS H 4.410 . 4.410 3.678 3.603 3.741 . 0 0 "[ . 1]" 1
899 1 87 TRP QB 1 88 GLU H 3.320 . 3.320 2.907 2.835 2.992 . 0 0 "[ . 1]" 1
900 1 87 TRP QB 1 89 ASN H 5.810 . 5.810 4.931 4.866 5.036 . 0 0 "[ . 1]" 1
901 1 87 TRP QB 1 90 LYS H 5.810 . 5.810 5.053 5.021 5.081 . 0 0 "[ . 1]" 1
902 1 87 TRP HB2 1 88 GLU H 3.950 . 3.950 3.029 2.935 3.124 . 0 0 "[ . 1]" 1
903 1 87 TRP HB3 1 88 GLU H 3.950 . 3.950 3.745 3.644 3.825 . 0 0 "[ . 1]" 1
904 1 88 GLU H 1 88 GLU QB 2.520 . 2.520 2.254 2.175 2.283 . 0 0 "[ . 1]" 1
905 1 88 GLU H 1 89 ASN H 2.900 . 2.900 2.493 2.466 2.530 . 0 0 "[ . 1]" 1
906 1 88 GLU H 1 90 LYS H 6.000 . 6.000 3.758 3.713 3.798 . 0 0 "[ . 1]" 1
907 1 88 GLU QB 1 89 ASN H 3.270 . 3.270 2.777 2.747 2.796 . 0 0 "[ . 1]" 1
908 1 88 GLU HB2 1 89 ASN H 3.840 . 3.840 2.901 2.863 2.949 . 0 0 "[ . 1]" 1
909 1 88 GLU HB3 1 89 ASN H 3.840 . 3.840 3.549 3.473 3.585 . 0 0 "[ . 1]" 1
910 1 89 ASN H 1 89 ASN HB2 3.680 . 3.680 2.264 2.189 2.293 . 0 0 "[ . 1]" 1
911 1 89 ASN H 1 89 ASN QB 2.870 . 2.870 2.234 2.158 2.267 . 0 0 "[ . 1]" 1
912 1 89 ASN H 1 89 ASN HB3 3.680 . 3.680 3.455 2.964 3.561 . 0 0 "[ . 1]" 1
913 1 89 ASN H 1 90 LYS HA 6.000 . 6.000 4.574 4.535 4.645 . 0 0 "[ . 1]" 1
914 1 89 ASN H 1 90 LYS QB 5.810 . 5.810 5.089 4.965 5.188 . 0 0 "[ . 1]" 1
915 1 90 LYS H 1 90 LYS HA 2.780 . 2.780 2.252 2.242 2.263 . 0 0 "[ . 1]" 1
916 1 90 LYS H 1 90 LYS HB2 4.110 . 4.110 3.371 3.195 3.499 . 0 0 "[ . 1]" 1
917 1 90 LYS H 1 90 LYS QB 3.500 . 3.500 3.226 3.090 3.320 . 0 0 "[ . 1]" 1
918 1 90 LYS H 1 90 LYS HB3 4.110 . 4.110 4.125 4.105 4.135 0.025 1 0 "[ . 1]" 1
919 1 90 LYS H 1 91 ARG H 3.290 . 3.290 2.870 2.788 2.953 . 0 0 "[ . 1]" 1
920 1 90 LYS HA 1 91 ARG H 3.360 . 3.360 2.564 2.410 2.814 . 0 0 "[ . 1]" 1
921 1 90 LYS QB 1 91 ARG H 4.120 . 4.120 3.965 3.914 3.984 . 0 0 "[ . 1]" 1
922 1 92 VAL HA 1 92 VAL MG1 3.590 . 3.590 2.344 2.305 2.369 . 0 0 "[ . 1]" 1
923 1 92 VAL HA 1 92 VAL QG 2.960 . 2.960 2.229 2.199 2.250 . 0 0 "[ . 1]" 1
924 1 92 VAL HA 1 92 VAL MG2 3.590 . 3.590 2.792 2.766 2.812 . 0 0 "[ . 1]" 1
925 1 92 VAL HA 1 93 LYS H 2.820 . 2.820 2.122 2.091 2.167 . 0 0 "[ . 1]" 1
926 1 92 VAL HA 1 93 LYS QB 4.690 . 4.690 4.089 3.946 4.198 . 0 0 "[ . 1]" 1
927 1 92 VAL HB 1 93 LYS H 6.000 . 6.000 3.971 3.913 4.043 . 0 0 "[ . 1]" 1
928 1 92 VAL QG 1 93 LYS H 3.010 . 3.010 2.625 2.539 2.779 . 0 0 "[ . 1]" 1
929 1 92 VAL QG 1 94 LEU H 5.920 . 5.920 4.768 4.676 4.899 . 0 0 "[ . 1]" 1
930 1 93 LYS H 1 93 LYS HB2 3.850 . 3.850 2.518 2.460 2.605 . 0 0 "[ . 1]" 1
931 1 93 LYS H 1 93 LYS QB 3.130 . 3.130 2.458 2.412 2.506 . 0 0 "[ . 1]" 1
932 1 93 LYS H 1 93 LYS HB3 3.850 . 3.850 3.488 3.196 3.666 . 0 0 "[ . 1]" 1
933 1 93 LYS H 1 93 LYS QG 4.720 . 4.720 3.616 3.380 4.006 . 0 0 "[ . 1]" 1
934 1 93 LYS HA 1 93 LYS QG 3.560 . 3.560 2.294 2.224 2.376 . 0 0 "[ . 1]" 1
935 1 93 LYS HA 1 94 LEU H 3.180 . 3.180 2.135 2.087 2.172 . 0 0 "[ . 1]" 1
936 1 93 LYS QB 1 93 LYS QG 2.350 . 2.350 2.083 2.052 2.091 . 0 0 "[ . 1]" 1
937 1 94 LEU H 1 95 LYS H 4.100 . 4.100 4.323 4.290 4.361 0.261 8 0 "[ . 1]" 1
938 1 94 LEU HA 1 94 LEU QD 3.240 . 3.240 2.779 2.336 3.027 . 0 0 "[ . 1]" 1
939 1 94 LEU HA 1 95 LYS H 2.970 . 2.970 2.088 2.050 2.121 . 0 0 "[ . 1]" 1
940 1 94 LEU HA 1 95 LYS HA 4.710 . 4.710 4.394 4.356 4.405 . 0 0 "[ . 1]" 1
941 1 94 LEU QB 1 94 LEU QD 2.340 . 2.340 1.895 1.868 2.087 . 0 0 "[ . 1]" 1
942 1 94 LEU QD 1 95 LYS H 4.180 . 4.180 3.499 2.943 4.019 . 0 0 "[ . 1]" 1
943 1 95 LYS H 1 95 LYS QB 2.860 . 2.860 2.394 2.294 3.043 0.183 8 0 "[ . 1]" 1
944 1 95 LYS HA 1 95 LYS QB 2.590 . 2.590 2.517 2.478 2.538 . 0 0 "[ . 1]" 1
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