NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572254 |
2m3e   |
18958 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3e
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 536
_Distance_constraint_stats_list.Viol_count 842
_Distance_constraint_stats_list.Viol_total 4321.202
_Distance_constraint_stats_list.Viol_max 1.908
_Distance_constraint_stats_list.Viol_rms 0.1228
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0202
_Distance_constraint_stats_list.Viol_average_violations_only 0.2566
_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 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASP 0.041 0.022 12 0 "[ . 1 . 2]"
1 5 VAL 1.130 0.245 4 0 "[ . 1 . 2]"
1 6 VAL 4.371 0.851 9 4 "[ . +1- . * *]"
1 7 TYR 5.217 0.851 9 4 "[ . +1- . * *]"
1 8 GLU 0.328 0.124 18 0 "[ . 1 . 2]"
1 9 LYS 5.436 0.680 13 5 "[ * 1* +-* 2]"
1 10 GLN 26.167 0.606 7 10 "[*** * + 1* -* * *]"
1 11 MET 17.730 0.680 13 10 "[*** * * 1* +** - 2]"
1 12 LEU 7.024 0.339 5 0 "[ . 1 . 2]"
1 13 TYR 11.445 0.532 18 5 "[ . 1* -* + *]"
1 14 LEU 0.107 0.092 3 0 "[ . 1 . 2]"
1 15 TYR 9.132 0.556 11 1 "[ . 1+ . 2]"
1 16 VAL 9.881 0.556 11 1 "[ . 1+ . 2]"
1 17 LEU 21.621 0.576 13 20 [**-*********+*******]
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 5.132 0.450 20 0 "[ . 1 . 2]"
1 20 ILE 11.991 0.476 4 0 "[ . 1 . 2]"
1 21 GLY 6.937 0.398 3 0 "[ . 1 . 2]"
1 22 GLY 0.280 0.049 5 0 "[ . 1 . 2]"
1 23 LEU 5.334 0.450 20 0 "[ . 1 . 2]"
1 24 LEU 2.676 0.263 17 0 "[ . 1 . 2]"
1 25 LEU 0.675 0.242 5 0 "[ . 1 . 2]"
1 26 LEU 16.587 1.908 12 10 "[ * **** 1-+* * * 2]"
1 27 LEU 0.805 0.091 5 0 "[ . 1 . 2]"
1 28 LEU 14.564 1.332 4 7 "[ +.* **1 * * -]"
1 29 ILE 38.693 1.458 20 20 [*****************-*+]
1 30 PHE 17.105 1.908 12 10 "[ * **** 1-+* * * 2]"
1 31 ILE 49.147 1.458 20 20 [*****************-*+]
1 32 VAL 2.327 0.819 18 1 "[ . 1 . + 2]"
1 33 LEU 2.979 0.819 18 1 "[ . 1 . + 2]"
1 34 TYR 8.194 0.450 13 0 "[ . 1 . 2]"
1 35 LYS 6.940 0.450 13 0 "[ . 1 . 2]"
1 36 VAL 0.105 0.038 18 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 2.228 0.266 11 0 "[ . 1 . 2]"
1 39 PHE 2.807 0.362 18 0 "[ . 1 . 2]"
1 40 LYS 4.263 0.362 18 0 "[ . 1 . 2]"
1 41 ARG 0.681 0.137 7 0 "[ . 1 . 2]"
1 42 ASN 2.037 0.201 15 0 "[ . 1 . 2]"
1 43 LEU 2.436 0.467 2 0 "[ . 1 . 2]"
1 44 LYS 39.417 1.830 8 18 "[*-*** +************]"
1 45 GLU 30.652 1.830 8 17 "[***** +**-********2]"
1 46 LYS 0.816 0.102 12 0 "[ . 1 . 2]"
1 47 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 1 SER QB . . 2.570 2.295 2.181 2.490 . 0 0 "[ . 1 . 2]" 1
2 1 1 SER QB 1 2 ASN H . . 4.980 3.301 2.090 4.044 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASN HA 1 2 ASN HD21 . . 3.670 2.324 1.970 2.637 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASN HA 1 2 ASN HD22 . . 3.670 3.515 3.330 3.609 . 0 0 "[ . 1 . 2]" 1
5 1 3 ALA H 1 3 ALA MB . . 3.330 2.340 2.061 2.596 . 0 0 "[ . 1 . 2]" 1
6 1 3 ALA HA 1 4 ASP H . . 3.330 2.516 2.143 3.003 . 0 0 "[ . 1 . 2]" 1
7 1 3 ALA MB 1 4 ASP H . . 3.880 3.113 2.177 3.719 . 0 0 "[ . 1 . 2]" 1
8 1 4 ASP H 1 4 ASP QB . . 3.560 2.696 2.289 3.445 . 0 0 "[ . 1 . 2]" 1
9 1 4 ASP H 1 5 VAL H . . 3.830 3.242 2.388 3.841 0.011 14 0 "[ . 1 . 2]" 1
10 1 4 ASP HA 1 5 VAL H . . 3.250 2.554 2.140 3.194 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASP QB 1 5 VAL H . . 3.990 3.799 3.388 4.012 0.022 12 0 "[ . 1 . 2]" 1
12 1 5 VAL H 1 5 VAL HB . . 3.650 3.316 2.709 3.842 0.192 10 0 "[ . 1 . 2]" 1
13 1 5 VAL H 1 5 VAL MG1 . . 4.180 2.975 1.919 3.966 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL H 1 5 VAL QG . . 3.050 2.340 1.914 3.073 0.023 16 0 "[ . 1 . 2]" 1
15 1 5 VAL H 1 5 VAL MG2 . . 4.180 3.094 1.968 3.999 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL H 1 6 VAL H . . 3.630 3.019 1.888 3.508 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL H 1 6 VAL QG . . 4.690 3.314 2.684 4.042 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL QG 1 7 TYR H . . 4.950 4.114 3.396 5.195 0.245 4 0 "[ . 1 . 2]" 1
19 1 6 VAL H 1 6 VAL HB . . 3.930 2.664 2.510 2.828 . 0 0 "[ . 1 . 2]" 1
20 1 6 VAL H 1 6 VAL QG . . 4.080 2.395 1.939 2.795 . 0 0 "[ . 1 . 2]" 1
21 1 6 VAL H 1 7 TYR H . . 3.510 2.290 1.869 2.733 . 0 0 "[ . 1 . 2]" 1
22 1 6 VAL H 1 7 TYR QD . . 3.990 3.753 3.146 4.053 0.063 9 0 "[ . 1 . 2]" 1
23 1 6 VAL HA 1 6 VAL QG . . 3.260 2.072 2.026 2.146 . 0 0 "[ . 1 . 2]" 1
24 1 6 VAL HA 1 7 TYR QB . . 5.360 5.352 4.352 5.513 0.153 2 0 "[ . 1 . 2]" 1
25 1 6 VAL HB 1 7 TYR H . . 4.220 2.756 2.124 3.428 . 0 0 "[ . 1 . 2]" 1
26 1 6 VAL HB 1 7 TYR QB . . 5.500 4.385 3.926 4.947 . 0 0 "[ . 1 . 2]" 1
27 1 6 VAL QG 1 7 TYR H . . 5.450 3.313 2.852 3.607 . 0 0 "[ . 1 . 2]" 1
28 1 6 VAL QG 1 7 TYR QD . . 4.320 3.341 2.728 3.883 . 0 0 "[ . 1 . 2]" 1
29 1 6 VAL QG 1 7 TYR QE . . 3.990 3.458 2.116 4.841 0.851 9 4 "[ . +1- . * *]" 1
30 1 7 TYR H 1 7 TYR QB . . 3.820 2.485 2.222 3.412 . 0 0 "[ . 1 . 2]" 1
31 1 7 TYR H 1 7 TYR QE . . 5.400 4.570 4.185 4.857 . 0 0 "[ . 1 . 2]" 1
32 1 7 TYR H 1 8 GLU H . . 4.520 3.199 2.092 4.644 0.124 18 0 "[ . 1 . 2]" 1
33 1 7 TYR HA 1 7 TYR QD . . 3.710 3.010 2.598 3.143 . 0 0 "[ . 1 . 2]" 1
34 1 7 TYR HA 1 7 TYR QE . . 4.830 4.655 4.373 4.819 . 0 0 "[ . 1 . 2]" 1
35 1 7 TYR QB 1 8 GLU H . . 4.410 2.811 1.915 3.911 . 0 0 "[ . 1 . 2]" 1
36 1 8 GLU H 1 8 GLU QG . . 4.800 3.281 2.309 4.447 . 0 0 "[ . 1 . 2]" 1
37 1 8 GLU QG 1 11 MET ME . . 4.130 3.445 3.341 3.660 . 0 0 "[ . 1 . 2]" 1
38 1 9 LYS H 1 9 LYS QB . . 3.520 2.857 2.324 3.459 . 0 0 "[ . 1 . 2]" 1
39 1 9 LYS H 1 9 LYS QG . . 4.240 2.716 1.932 4.198 . 0 0 "[ . 1 . 2]" 1
40 1 9 LYS H 1 10 GLN H . . 3.440 3.225 2.540 3.876 0.436 6 0 "[ . 1 . 2]" 1
41 1 9 LYS QB 1 11 MET QB . . 5.180 4.821 4.066 5.860 0.680 13 5 "[ * 1* +-* 2]" 1
42 1 9 LYS QB 1 11 MET QG . . 4.650 2.942 2.003 4.170 . 0 0 "[ . 1 . 2]" 1
43 1 10 GLN H 1 10 GLN HB2 . . 3.810 2.580 2.216 2.712 . 0 0 "[ . 1 . 2]" 1
44 1 10 GLN H 1 10 GLN HB3 . . 4.200 3.584 3.513 3.595 . 0 0 "[ . 1 . 2]" 1
45 1 10 GLN H 1 10 GLN HE21 . . 5.150 4.060 2.354 5.023 . 0 0 "[ . 1 . 2]" 1
46 1 10 GLN H 1 10 GLN HG2 . . 3.740 3.059 1.945 3.777 0.037 7 0 "[ . 1 . 2]" 1
47 1 10 GLN H 1 10 GLN HG3 . . 3.740 2.598 1.954 3.558 . 0 0 "[ . 1 . 2]" 1
48 1 10 GLN H 1 11 MET H . . 4.170 2.683 2.583 2.796 . 0 0 "[ . 1 . 2]" 1
49 1 10 GLN H 1 11 MET QB . . 4.990 5.293 5.237 5.324 0.334 5 0 "[ . 1 . 2]" 1
50 1 10 GLN H 1 11 MET ME . . 5.440 4.321 3.103 4.842 . 0 0 "[ . 1 . 2]" 1
51 1 10 GLN H 1 11 MET QG . . 5.060 4.539 4.261 4.634 . 0 0 "[ . 1 . 2]" 1
52 1 10 GLN H 1 12 LEU H . . 4.990 4.263 4.051 4.427 . 0 0 "[ . 1 . 2]" 1
53 1 10 GLN HA 1 10 GLN QG . . 3.640 2.528 2.297 3.093 . 0 0 "[ . 1 . 2]" 1
54 1 10 GLN HB2 1 10 GLN QG . . 2.570 2.319 2.135 2.497 . 0 0 "[ . 1 . 2]" 1
55 1 10 GLN HB2 1 11 MET H . . 4.000 3.138 2.970 3.327 . 0 0 "[ . 1 . 2]" 1
56 1 10 GLN HB2 1 13 TYR H . . 4.130 4.290 3.952 4.421 0.291 17 0 "[ . 1 . 2]" 1
57 1 10 GLN HB2 1 13 TYR QD . . 4.270 4.582 4.124 4.802 0.532 18 5 "[ . 1* -* + *]" 1
58 1 10 GLN HB3 1 10 GLN HE21 . . 4.700 3.444 2.258 4.588 . 0 0 "[ . 1 . 2]" 1
59 1 10 GLN HB3 1 11 MET H . . 4.410 4.070 3.686 4.287 . 0 0 "[ . 1 . 2]" 1
60 1 10 GLN HB3 1 12 LEU QD . . 4.410 2.227 1.907 2.662 . 0 0 "[ . 1 . 2]" 1
61 1 10 GLN QG 1 11 MET H . . 4.260 4.235 3.899 4.527 0.267 7 0 "[ . 1 . 2]" 1
62 1 10 GLN QG 1 12 LEU QD . . 3.850 3.211 2.244 3.816 . 0 0 "[ . 1 . 2]" 1
63 1 10 GLN HG2 1 11 MET H . . 4.840 4.989 4.222 5.446 0.606 7 5 "[*** . + 1 . - 2]" 1
64 1 10 GLN HG2 1 12 LEU QD . . 4.400 3.636 2.379 4.383 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLN HG3 1 11 MET H . . 4.840 4.688 4.118 5.380 0.540 5 1 "[ + 1 . 2]" 1
66 1 10 GLN HG3 1 12 LEU QD . . 4.400 3.882 2.270 4.476 0.076 17 0 "[ . 1 . 2]" 1
67 1 11 MET H 1 11 MET HB2 . . 4.070 3.513 3.440 3.548 . 0 0 "[ . 1 . 2]" 1
68 1 11 MET H 1 11 MET HB3 . . 4.070 4.045 3.981 4.072 0.002 4 0 "[ . 1 . 2]" 1
69 1 11 MET H 1 11 MET ME . . 4.820 3.315 1.825 4.142 . 0 0 "[ . 1 . 2]" 1
70 1 11 MET H 1 11 MET QG . . 4.110 2.680 2.543 2.849 . 0 0 "[ . 1 . 2]" 1
71 1 11 MET H 1 12 LEU H . . 4.620 2.699 2.637 2.806 . 0 0 "[ . 1 . 2]" 1
72 1 11 MET H 1 13 TYR H . . 4.870 4.240 3.990 4.545 . 0 0 "[ . 1 . 2]" 1
73 1 11 MET HA 1 11 MET ME . . 4.840 3.634 1.970 4.470 . 0 0 "[ . 1 . 2]" 1
74 1 11 MET HA 1 13 TYR QB . . 5.500 5.088 4.751 5.352 . 0 0 "[ . 1 . 2]" 1
75 1 11 MET HA 1 14 LEU QB . . 4.930 4.291 3.856 4.945 0.015 20 0 "[ . 1 . 2]" 1
76 1 11 MET QB 1 11 MET ME . . 3.810 3.451 3.223 3.580 . 0 0 "[ . 1 . 2]" 1
77 1 11 MET QB 1 12 LEU HA . . 4.380 4.224 4.197 4.255 . 0 0 "[ . 1 . 2]" 1
78 1 11 MET QB 1 12 LEU HG . . 5.340 4.800 4.433 5.231 . 0 0 "[ . 1 . 2]" 1
79 1 11 MET QB 1 14 LEU HG . . 5.340 4.474 3.803 5.432 0.092 3 0 "[ . 1 . 2]" 1
80 1 11 MET ME 1 11 MET QG . . 3.540 2.115 2.023 2.242 . 0 0 "[ . 1 . 2]" 1
81 1 12 LEU H 1 12 LEU QB . . 3.570 2.286 2.108 2.831 . 0 0 "[ . 1 . 2]" 1
82 1 12 LEU H 1 12 LEU QD . . 3.500 3.233 2.798 3.537 0.037 5 0 "[ . 1 . 2]" 1
83 1 12 LEU H 1 12 LEU HG . . 3.910 3.004 1.816 4.013 0.103 10 0 "[ . 1 . 2]" 1
84 1 12 LEU HA 1 12 LEU HG . . 3.470 2.767 2.133 3.673 0.203 3 0 "[ . 1 . 2]" 1
85 1 12 LEU HA 1 15 TYR H . . 4.290 3.106 3.036 3.161 . 0 0 "[ . 1 . 2]" 1
86 1 12 LEU HA 1 15 TYR QB . . 5.220 2.803 2.628 3.177 . 0 0 "[ . 1 . 2]" 1
87 1 12 LEU HA 1 16 VAL H . . 4.700 4.203 4.126 4.269 . 0 0 "[ . 1 . 2]" 1
88 1 12 LEU QB 1 12 LEU QD . . 2.400 1.846 1.729 1.918 . 0 0 "[ . 1 . 2]" 1
89 1 12 LEU QB 1 12 LEU HG . . 2.550 2.436 2.363 2.528 . 0 0 "[ . 1 . 2]" 1
90 1 12 LEU QB 1 13 TYR H . . 3.880 2.859 2.625 3.631 . 0 0 "[ . 1 . 2]" 1
91 1 12 LEU QB 1 15 TYR H . . 5.130 4.504 4.256 4.618 . 0 0 "[ . 1 . 2]" 1
92 1 12 LEU QB 1 15 TYR QB . . 4.720 4.259 3.847 4.492 . 0 0 "[ . 1 . 2]" 1
93 1 12 LEU QB 1 15 TYR QD . . 5.090 2.725 1.961 3.706 . 0 0 "[ . 1 . 2]" 1
94 1 12 LEU QD 1 15 TYR QB . . 5.500 3.507 2.828 4.964 . 0 0 "[ . 1 . 2]" 1
95 1 12 LEU QD 1 15 TYR QD . . 4.750 2.336 1.937 3.515 . 0 0 "[ . 1 . 2]" 1
96 1 12 LEU QD 1 15 TYR QE . . 4.730 2.447 1.962 3.248 . 0 0 "[ . 1 . 2]" 1
97 1 12 LEU HG 1 15 TYR QE . . 4.600 4.906 4.881 4.939 0.339 5 0 "[ . 1 . 2]" 1
98 1 13 TYR H 1 13 TYR QD . . 3.560 2.080 1.961 2.575 . 0 0 "[ . 1 . 2]" 1
99 1 13 TYR H 1 13 TYR QE . . 4.140 4.218 4.121 4.384 0.244 14 0 "[ . 1 . 2]" 1
100 1 13 TYR H 1 14 LEU H . . 3.830 2.742 2.680 2.760 . 0 0 "[ . 1 . 2]" 1
101 1 13 TYR HA 1 13 TYR QD . . 3.850 3.735 3.725 3.739 . 0 0 "[ . 1 . 2]" 1
102 1 13 TYR HA 1 16 VAL H . . 3.760 3.584 3.565 3.597 . 0 0 "[ . 1 . 2]" 1
103 1 13 TYR HA 1 16 VAL HB . . 4.010 3.740 2.530 3.923 . 0 0 "[ . 1 . 2]" 1
104 1 13 TYR HA 1 17 LEU H . . 4.160 4.057 3.921 4.124 . 0 0 "[ . 1 . 2]" 1
105 1 13 TYR QB 1 14 LEU H . . 4.790 3.599 3.557 3.653 . 0 0 "[ . 1 . 2]" 1
106 1 13 TYR QB 1 14 LEU QD . . 5.280 4.397 4.349 4.779 . 0 0 "[ . 1 . 2]" 1
107 1 13 TYR QD 1 14 LEU HA . . 3.910 3.608 2.881 3.809 . 0 0 "[ . 1 . 2]" 1
108 1 13 TYR QD 1 14 LEU QD . . 3.360 3.156 3.084 3.345 . 0 0 "[ . 1 . 2]" 1
109 1 13 TYR QD 1 14 LEU HG . . 3.410 3.176 2.524 3.242 . 0 0 "[ . 1 . 2]" 1
110 1 13 TYR QD 1 17 LEU QB . . 5.150 3.956 3.692 3.992 . 0 0 "[ . 1 . 2]" 1
111 1 13 TYR QE 1 14 LEU QB . . 4.640 4.389 3.970 4.435 . 0 0 "[ . 1 . 2]" 1
112 1 13 TYR QE 1 14 LEU QD . . 2.980 2.202 2.122 2.270 . 0 0 "[ . 1 . 2]" 1
113 1 13 TYR QE 1 14 LEU HG . . 3.080 2.890 2.093 2.961 . 0 0 "[ . 1 . 2]" 1
114 1 14 LEU H 1 14 LEU HG . . 3.910 2.300 2.128 3.275 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU H 1 15 TYR H . . 4.360 2.480 2.455 2.626 . 0 0 "[ . 1 . 2]" 1
116 1 14 LEU H 1 17 LEU QB . . 4.970 4.753 4.707 4.771 . 0 0 "[ . 1 . 2]" 1
117 1 14 LEU HA 1 14 LEU QD . . 2.880 2.537 2.417 2.707 . 0 0 "[ . 1 . 2]" 1
118 1 14 LEU HA 1 14 LEU HG . . 3.330 2.875 2.431 2.935 . 0 0 "[ . 1 . 2]" 1
119 1 14 LEU HA 1 16 VAL H . . 5.140 4.392 4.333 4.504 . 0 0 "[ . 1 . 2]" 1
120 1 14 LEU HA 1 17 LEU H . . 3.680 3.494 3.483 3.520 . 0 0 "[ . 1 . 2]" 1
121 1 14 LEU HA 1 17 LEU QB . . 3.450 2.809 2.745 2.883 . 0 0 "[ . 1 . 2]" 1
122 1 14 LEU QD 1 15 TYR HA . . 5.440 5.074 4.781 5.123 . 0 0 "[ . 1 . 2]" 1
123 1 14 LEU QD 1 15 TYR QB . . 4.980 4.631 4.510 4.786 . 0 0 "[ . 1 . 2]" 1
124 1 15 TYR HA 1 18 SER H . . 4.550 3.528 3.510 3.543 . 0 0 "[ . 1 . 2]" 1
125 1 15 TYR HA 1 18 SER QB . . 4.990 2.963 2.708 3.659 . 0 0 "[ . 1 . 2]" 1
126 1 15 TYR QB 1 16 VAL H . . 4.340 3.173 2.853 3.337 . 0 0 "[ . 1 . 2]" 1
127 1 15 TYR QB 1 16 VAL MG2 . . 5.500 5.558 4.362 5.653 0.153 17 0 "[ . 1 . 2]" 1
128 1 15 TYR QD 1 16 VAL HB . . 4.080 3.578 3.353 4.123 0.043 11 0 "[ . 1 . 2]" 1
129 1 15 TYR QD 1 16 VAL MG1 . . 4.430 4.062 3.812 4.986 0.556 11 1 "[ . 1+ . 2]" 1
130 1 15 TYR QE 1 16 VAL HB . . 4.240 3.460 3.225 4.353 0.113 11 0 "[ . 1 . 2]" 1
131 1 16 VAL H 1 16 VAL HB . . 3.810 2.536 2.239 2.595 . 0 0 "[ . 1 . 2]" 1
132 1 16 VAL H 1 16 VAL MG1 . . 3.370 2.150 1.987 3.628 0.258 11 0 "[ . 1 . 2]" 1
133 1 16 VAL H 1 16 VAL MG2 . . 3.850 3.725 2.848 3.774 . 0 0 "[ . 1 . 2]" 1
134 1 16 VAL H 1 17 LEU H . . 3.850 2.501 2.473 2.549 . 0 0 "[ . 1 . 2]" 1
135 1 16 VAL H 1 18 SER H . . 4.220 4.024 3.975 4.079 . 0 0 "[ . 1 . 2]" 1
136 1 16 VAL HA 1 16 VAL MG1 . . 3.710 3.171 2.604 3.205 . 0 0 "[ . 1 . 2]" 1
137 1 16 VAL HA 1 17 LEU HA . . 4.910 4.730 4.726 4.735 . 0 0 "[ . 1 . 2]" 1
138 1 16 VAL HA 1 19 GLY H . . 4.210 3.510 3.493 3.529 . 0 0 "[ . 1 . 2]" 1
139 1 16 VAL HB 1 17 LEU H . . 4.150 3.889 2.901 3.985 . 0 0 "[ . 1 . 2]" 1
140 1 16 VAL MG1 1 17 LEU H . . 3.620 2.220 2.155 3.066 . 0 0 "[ . 1 . 2]" 1
141 1 16 VAL MG1 1 17 LEU HA . . 3.980 3.154 3.056 3.234 . 0 0 "[ . 1 . 2]" 1
142 1 16 VAL MG1 1 20 ILE MD . . 3.380 3.698 3.144 3.856 0.476 4 0 "[ . 1 . 2]" 1
143 1 17 LEU H 1 17 LEU QD . . 3.590 3.597 3.536 3.644 0.054 3 0 "[ . 1 . 2]" 1
144 1 17 LEU H 1 17 LEU HG . . 3.980 4.523 4.498 4.556 0.576 13 20 [**-*********+*******] 1
145 1 17 LEU H 1 18 SER H . . 4.590 2.481 2.465 2.498 . 0 0 "[ . 1 . 2]" 1
146 1 17 LEU H 1 19 GLY H . . 4.190 3.873 3.825 3.890 . 0 0 "[ . 1 . 2]" 1
147 1 17 LEU HA 1 17 LEU QD . . 2.560 2.254 2.024 2.431 . 0 0 "[ . 1 . 2]" 1
148 1 17 LEU HA 1 17 LEU HG . . 3.040 2.803 2.706 2.899 . 0 0 "[ . 1 . 2]" 1
149 1 17 LEU HA 1 20 ILE H . . 3.970 3.558 3.529 3.570 . 0 0 "[ . 1 . 2]" 1
150 1 17 LEU HA 1 20 ILE HB . . 4.880 4.923 4.900 4.936 0.056 11 0 "[ . 1 . 2]" 1
151 1 17 LEU HA 1 20 ILE MG . . 3.890 3.261 3.220 3.342 . 0 0 "[ . 1 . 2]" 1
152 1 17 LEU HA 1 21 GLY H . . 4.690 4.206 4.169 4.230 . 0 0 "[ . 1 . 2]" 1
153 1 17 LEU QB 1 17 LEU QD . . 2.590 1.867 1.815 1.925 . 0 0 "[ . 1 . 2]" 1
154 1 17 LEU QB 1 18 SER H . . 3.330 2.645 2.603 2.674 . 0 0 "[ . 1 . 2]" 1
155 1 17 LEU QB 1 20 ILE MD . . 3.990 3.756 3.684 3.849 . 0 0 "[ . 1 . 2]" 1
156 1 17 LEU QB 1 20 ILE QG . . 3.890 4.025 3.984 4.045 0.155 14 0 "[ . 1 . 2]" 1
157 1 17 LEU QB 1 21 GLY QA . . 5.430 5.777 5.730 5.828 0.398 3 0 "[ . 1 . 2]" 1
158 1 17 LEU QD 1 20 ILE MD . . 2.520 2.179 1.988 2.359 . 0 0 "[ . 1 . 2]" 1
159 1 17 LEU HG 1 20 ILE MD . . 3.800 3.450 3.338 3.505 . 0 0 "[ . 1 . 2]" 1
160 1 18 SER H 1 20 ILE QG . . 5.010 4.287 4.246 4.322 . 0 0 "[ . 1 . 2]" 1
161 1 18 SER HA 1 18 SER QB . . 2.400 2.283 2.174 2.389 . 0 0 "[ . 1 . 2]" 1
162 1 18 SER HA 1 20 ILE H . . 4.670 4.467 4.435 4.489 . 0 0 "[ . 1 . 2]" 1
163 1 18 SER HA 1 21 GLY H . . 4.140 3.565 3.557 3.575 . 0 0 "[ . 1 . 2]" 1
164 1 18 SER HA 1 22 GLY H . . 4.400 4.144 3.873 4.204 . 0 0 "[ . 1 . 2]" 1
165 1 19 GLY H 1 20 ILE H . . 4.110 2.524 2.477 2.550 . 0 0 "[ . 1 . 2]" 1
166 1 19 GLY H 1 20 ILE QG . . 5.240 3.823 3.792 3.855 . 0 0 "[ . 1 . 2]" 1
167 1 19 GLY HA2 1 21 GLY H . . 4.680 4.306 4.283 4.328 . 0 0 "[ . 1 . 2]" 1
168 1 19 GLY HA2 1 22 GLY H . . 4.030 3.610 3.601 3.619 . 0 0 "[ . 1 . 2]" 1
169 1 19 GLY HA2 1 23 LEU H . . 4.570 4.322 4.029 4.391 . 0 0 "[ . 1 . 2]" 1
170 1 19 GLY HA2 1 23 LEU QB . . 5.250 5.004 4.146 5.228 . 0 0 "[ . 1 . 2]" 1
171 1 19 GLY HA2 1 23 LEU QD . . 3.930 3.607 3.391 4.189 0.259 19 0 "[ . 1 . 2]" 1
172 1 19 GLY HA3 1 20 ILE MG . . 4.220 3.750 3.733 3.760 . 0 0 "[ . 1 . 2]" 1
173 1 19 GLY HA3 1 23 LEU QB . . 5.500 5.332 4.710 5.521 0.021 17 0 "[ . 1 . 2]" 1
174 1 19 GLY HA3 1 23 LEU QD . . 3.670 3.912 3.724 4.120 0.450 20 0 "[ . 1 . 2]" 1
175 1 20 ILE H 1 20 ILE MD . . 3.710 3.656 3.642 3.671 . 0 0 "[ . 1 . 2]" 1
176 1 20 ILE H 1 20 ILE QG . . 4.540 2.097 2.071 2.118 . 0 0 "[ . 1 . 2]" 1
177 1 20 ILE H 1 20 ILE MG . . 3.670 2.276 2.250 2.298 . 0 0 "[ . 1 . 2]" 1
178 1 20 ILE H 1 21 GLY H . . 4.260 2.484 2.452 2.498 . 0 0 "[ . 1 . 2]" 1
179 1 20 ILE H 1 22 GLY H . . 4.400 4.078 4.015 4.113 . 0 0 "[ . 1 . 2]" 1
180 1 20 ILE HA 1 20 ILE MD . . 4.180 4.164 4.156 4.177 . 0 0 "[ . 1 . 2]" 1
181 1 20 ILE HA 1 22 GLY H . . 5.130 4.342 4.304 4.463 . 0 0 "[ . 1 . 2]" 1
182 1 20 ILE HA 1 23 LEU H . . 3.890 3.596 3.575 3.702 . 0 0 "[ . 1 . 2]" 1
183 1 20 ILE HA 1 23 LEU QB . . 4.550 2.872 2.782 3.615 . 0 0 "[ . 1 . 2]" 1
184 1 20 ILE HA 1 24 LEU H . . 5.020 4.197 4.045 4.221 . 0 0 "[ . 1 . 2]" 1
185 1 20 ILE HA 1 24 LEU QB . . 4.850 4.809 4.210 5.113 0.263 17 0 "[ . 1 . 2]" 1
186 1 20 ILE HB 1 20 ILE MD . . 3.270 2.361 2.319 2.400 . 0 0 "[ . 1 . 2]" 1
187 1 20 ILE MD 1 20 ILE MG . . 2.400 2.036 1.921 2.085 . 0 0 "[ . 1 . 2]" 1
188 1 20 ILE QG 1 20 ILE MG . . 2.400 2.304 2.298 2.318 . 0 0 "[ . 1 . 2]" 1
189 1 21 GLY H 1 22 GLY H . . 4.220 2.516 2.444 2.530 . 0 0 "[ . 1 . 2]" 1
190 1 21 GLY H 1 23 LEU H . . 4.680 4.043 3.923 4.073 . 0 0 "[ . 1 . 2]" 1
191 1 21 GLY QA 1 22 GLY H . . 2.900 2.774 2.766 2.786 . 0 0 "[ . 1 . 2]" 1
192 1 21 GLY QA 1 23 LEU H . . 4.110 4.016 3.977 4.031 . 0 0 "[ . 1 . 2]" 1
193 1 21 GLY QA 1 23 LEU QB . . 5.500 4.923 4.861 5.486 . 0 0 "[ . 1 . 2]" 1
194 1 21 GLY QA 1 24 LEU H . . 4.230 3.565 3.538 3.585 . 0 0 "[ . 1 . 2]" 1
195 1 21 GLY QA 1 24 LEU QB . . 4.460 2.968 2.820 3.510 . 0 0 "[ . 1 . 2]" 1
196 1 21 GLY QA 1 25 LEU H . . 4.260 4.030 3.913 4.064 . 0 0 "[ . 1 . 2]" 1
197 1 22 GLY H 1 23 LEU H . . 4.390 2.512 2.479 2.531 . 0 0 "[ . 1 . 2]" 1
198 1 22 GLY H 1 23 LEU QD . . 4.860 4.081 3.824 4.580 . 0 0 "[ . 1 . 2]" 1
199 1 22 GLY H 1 24 LEU H . . 4.230 4.115 4.022 4.158 . 0 0 "[ . 1 . 2]" 1
200 1 22 GLY H 1 25 LEU QD . . 5.450 4.603 4.428 5.237 . 0 0 "[ . 1 . 2]" 1
201 1 22 GLY QA 1 24 LEU H . . 4.090 4.102 4.080 4.139 0.049 5 0 "[ . 1 . 2]" 1
202 1 22 GLY QA 1 25 LEU H . . 3.900 3.473 3.440 3.502 . 0 0 "[ . 1 . 2]" 1
203 1 22 GLY QA 1 25 LEU QB . . 4.330 2.722 2.662 2.763 . 0 0 "[ . 1 . 2]" 1
204 1 22 GLY QA 1 26 LEU QB . . 4.470 4.157 4.062 4.254 . 0 0 "[ . 1 . 2]" 1
205 1 23 LEU H 1 23 LEU QB . . 3.110 2.131 2.081 2.285 . 0 0 "[ . 1 . 2]" 1
206 1 23 LEU H 1 23 LEU QD . . 3.200 2.571 2.241 3.170 . 0 0 "[ . 1 . 2]" 1
207 1 23 LEU H 1 23 LEU HG . . 4.260 3.792 2.767 4.260 0.000 14 0 "[ . 1 . 2]" 1
208 1 23 LEU H 1 24 LEU H . . 3.280 2.529 2.424 2.556 . 0 0 "[ . 1 . 2]" 1
209 1 23 LEU H 1 25 LEU H . . 4.290 3.998 3.881 4.054 . 0 0 "[ . 1 . 2]" 1
210 1 23 LEU HA 1 23 LEU QD . . 3.330 2.339 1.898 3.153 . 0 0 "[ . 1 . 2]" 1
211 1 23 LEU HA 1 26 LEU H . . 3.850 3.424 3.406 3.452 . 0 0 "[ . 1 . 2]" 1
212 1 23 LEU HA 1 26 LEU QB . . 3.770 2.625 2.478 2.825 . 0 0 "[ . 1 . 2]" 1
213 1 23 LEU QB 1 23 LEU QD . . 2.840 1.916 1.778 2.041 . 0 0 "[ . 1 . 2]" 1
214 1 23 LEU QB 1 24 LEU H . . 3.210 2.729 2.626 3.411 0.201 19 0 "[ . 1 . 2]" 1
215 1 23 LEU HG 1 24 LEU H . . 5.270 4.867 2.047 5.184 . 0 0 "[ . 1 . 2]" 1
216 1 24 LEU H 1 24 LEU QB . . 3.070 2.144 2.076 2.229 . 0 0 "[ . 1 . 2]" 1
217 1 24 LEU H 1 24 LEU QD . . 4.010 3.110 2.171 3.580 . 0 0 "[ . 1 . 2]" 1
218 1 24 LEU H 1 24 LEU HG . . 5.470 3.927 2.833 4.533 . 0 0 "[ . 1 . 2]" 1
219 1 24 LEU H 1 25 LEU H . . 3.530 2.575 2.485 2.605 . 0 0 "[ . 1 . 2]" 1
220 1 24 LEU H 1 25 LEU QD . . 4.440 4.047 3.825 4.682 0.242 5 0 "[ . 1 . 2]" 1
221 1 24 LEU H 1 26 LEU H . . 4.190 3.899 3.863 4.029 . 0 0 "[ . 1 . 2]" 1
222 1 24 LEU HA 1 24 LEU QD . . 3.330 2.355 2.009 3.268 . 0 0 "[ . 1 . 2]" 1
223 1 24 LEU HA 1 27 LEU QB . . 3.620 3.040 2.906 3.184 . 0 0 "[ . 1 . 2]" 1
224 1 24 LEU QB 1 25 LEU H . . 3.300 2.725 2.608 3.430 0.130 8 0 "[ . 1 . 2]" 1
225 1 25 LEU H 1 25 LEU QB . . 3.290 2.094 2.050 2.113 . 0 0 "[ . 1 . 2]" 1
226 1 25 LEU H 1 25 LEU QD . . 3.600 2.448 2.277 3.057 . 0 0 "[ . 1 . 2]" 1
227 1 25 LEU H 1 26 LEU H . . 3.450 2.471 2.418 2.492 . 0 0 "[ . 1 . 2]" 1
228 1 25 LEU HA 1 25 LEU QD . . 3.970 2.256 1.950 2.354 . 0 0 "[ . 1 . 2]" 1
229 1 25 LEU HA 1 28 LEU H . . 3.550 3.471 3.454 3.548 . 0 0 "[ . 1 . 2]" 1
230 1 25 LEU HA 1 28 LEU HG . . 3.810 2.800 2.739 2.878 . 0 0 "[ . 1 . 2]" 1
231 1 25 LEU HA 1 29 ILE H . . 4.030 3.805 3.737 3.845 . 0 0 "[ . 1 . 2]" 1
232 1 25 LEU HA 1 29 ILE MD . . 3.590 3.594 3.578 3.613 0.023 5 0 "[ . 1 . 2]" 1
233 1 25 LEU QB 1 26 LEU H . . 3.240 2.937 2.835 2.962 . 0 0 "[ . 1 . 2]" 1
234 1 25 LEU QB 1 29 ILE MD . . 2.890 2.235 2.178 2.347 . 0 0 "[ . 1 . 2]" 1
235 1 25 LEU HG 1 29 ILE MD . . 3.350 3.160 3.034 3.181 . 0 0 "[ . 1 . 2]" 1
236 1 25 LEU HG 1 29 ILE QG . . 4.200 3.990 3.759 4.390 0.190 5 0 "[ . 1 . 2]" 1
237 1 26 LEU H 1 26 LEU HA . . 2.900 2.862 2.845 2.867 . 0 0 "[ . 1 . 2]" 1
238 1 26 LEU H 1 26 LEU QB . . 3.170 2.197 2.168 2.255 . 0 0 "[ . 1 . 2]" 1
239 1 26 LEU H 1 26 LEU QD . . 3.770 3.652 3.455 3.772 0.002 4 0 "[ . 1 . 2]" 1
240 1 26 LEU H 1 26 LEU HG . . 4.660 4.423 4.246 4.587 . 0 0 "[ . 1 . 2]" 1
241 1 26 LEU H 1 27 LEU H . . 3.260 2.492 2.464 2.541 . 0 0 "[ . 1 . 2]" 1
242 1 26 LEU HA 1 26 LEU QD . . 3.630 2.415 1.979 3.153 . 0 0 "[ . 1 . 2]" 1
243 1 26 LEU HA 1 29 ILE H . . 3.610 3.541 3.525 3.571 . 0 0 "[ . 1 . 2]" 1
244 1 26 LEU HA 1 29 ILE HB . . 3.980 2.613 2.530 2.666 . 0 0 "[ . 1 . 2]" 1
245 1 26 LEU HA 1 30 PHE H . . 4.030 4.092 3.954 4.183 0.153 20 0 "[ . 1 . 2]" 1
246 1 26 LEU QB 1 27 LEU H . . 3.580 2.659 2.592 2.729 . 0 0 "[ . 1 . 2]" 1
247 1 26 LEU QD 1 27 LEU H . . 4.320 3.569 2.967 3.806 . 0 0 "[ . 1 . 2]" 1
248 1 26 LEU QD 1 30 PHE H . . 4.200 3.861 3.563 4.238 0.038 10 0 "[ . 1 . 2]" 1
249 1 26 LEU QD 1 30 PHE QB . . 4.050 3.232 2.812 3.589 . 0 0 "[ . 1 . 2]" 1
250 1 26 LEU HG 1 27 LEU H . . 5.290 4.396 3.424 5.113 . 0 0 "[ . 1 . 2]" 1
251 1 26 LEU HG 1 30 PHE QB . . 4.230 4.942 3.863 6.138 1.908 12 10 "[ * **** 1-+* * * 2]" 1
252 1 27 LEU H 1 27 LEU QB . . 2.940 2.216 2.118 2.380 . 0 0 "[ . 1 . 2]" 1
253 1 27 LEU H 1 27 LEU QD . . 4.360 3.298 2.384 3.755 . 0 0 "[ . 1 . 2]" 1
254 1 27 LEU H 1 27 LEU HG . . 5.500 3.818 2.406 4.579 . 0 0 "[ . 1 . 2]" 1
255 1 27 LEU HA 1 27 LEU QD . . 3.190 2.200 1.961 2.619 . 0 0 "[ . 1 . 2]" 1
256 1 27 LEU HA 1 27 LEU HG . . 3.740 3.041 2.339 3.689 . 0 0 "[ . 1 . 2]" 1
257 1 27 LEU HA 1 29 ILE H . . 4.350 4.388 4.361 4.441 0.091 5 0 "[ . 1 . 2]" 1
258 1 27 LEU HA 1 30 PHE H . . 3.780 3.626 3.567 3.675 . 0 0 "[ . 1 . 2]" 1
259 1 27 LEU HA 1 30 PHE QB . . 3.880 2.895 2.755 3.118 . 0 0 "[ . 1 . 2]" 1
260 1 27 LEU HA 1 31 ILE H . . 4.390 4.279 4.228 4.427 0.037 20 0 "[ . 1 . 2]" 1
261 1 27 LEU QB 1 28 LEU H . . 3.390 2.679 2.497 2.773 . 0 0 "[ . 1 . 2]" 1
262 1 27 LEU QB 1 30 PHE QB . . 4.920 4.675 4.397 4.818 . 0 0 "[ . 1 . 2]" 1
263 1 27 LEU HG 1 28 LEU H . . 5.500 4.622 3.742 5.243 . 0 0 "[ . 1 . 2]" 1
264 1 28 LEU H 1 28 LEU QB . . 2.960 2.165 2.145 2.184 . 0 0 "[ . 1 . 2]" 1
265 1 28 LEU H 1 28 LEU MD1 . . 4.760 4.148 4.121 4.177 . 0 0 "[ . 1 . 2]" 1
266 1 28 LEU H 1 28 LEU MD2 . . 3.400 3.502 3.451 3.564 0.164 5 0 "[ . 1 . 2]" 1
267 1 28 LEU H 1 28 LEU HG . . 2.910 3.073 3.021 3.134 0.224 5 0 "[ . 1 . 2]" 1
268 1 28 LEU H 1 29 ILE H . . 3.020 2.449 2.432 2.538 . 0 0 "[ . 1 . 2]" 1
269 1 28 LEU H 1 30 PHE H . . 4.240 3.984 3.926 4.066 . 0 0 "[ . 1 . 2]" 1
270 1 28 LEU HA 1 28 LEU QB . . 2.400 2.137 2.135 2.139 . 0 0 "[ . 1 . 2]" 1
271 1 28 LEU HA 1 28 LEU MD1 . . 3.560 3.099 3.025 3.152 . 0 0 "[ . 1 . 2]" 1
272 1 28 LEU HA 1 28 LEU HG . . 3.860 3.679 3.665 3.689 . 0 0 "[ . 1 . 2]" 1
273 1 28 LEU HA 1 30 PHE H . . 4.300 4.263 4.171 4.340 0.040 18 0 "[ . 1 . 2]" 1
274 1 28 LEU HA 1 31 ILE H . . 3.960 3.468 3.421 3.501 . 0 0 "[ . 1 . 2]" 1
275 1 28 LEU HA 1 31 ILE HB . . 4.980 2.870 2.768 3.124 . 0 0 "[ . 1 . 2]" 1
276 1 28 LEU HA 1 31 ILE MD . . 3.500 3.814 3.047 4.832 1.332 4 7 "[ +.* **1 * * -]" 1
277 1 28 LEU HA 1 32 VAL H . . 4.270 3.894 3.862 3.997 . 0 0 "[ . 1 . 2]" 1
278 1 28 LEU QB 1 28 LEU MD1 . . 2.400 2.154 2.112 2.163 . 0 0 "[ . 1 . 2]" 1
279 1 28 LEU QB 1 28 LEU MD2 . . 2.680 1.964 1.950 2.098 . 0 0 "[ . 1 . 2]" 1
280 1 28 LEU QB 1 28 LEU HG . . 2.570 2.453 2.440 2.459 . 0 0 "[ . 1 . 2]" 1
281 1 28 LEU QB 1 29 ILE H . . 3.560 3.353 3.324 3.371 . 0 0 "[ . 1 . 2]" 1
282 1 28 LEU HG 1 29 ILE H . . 3.460 2.207 2.150 2.256 . 0 0 "[ . 1 . 2]" 1
283 1 28 LEU HG 1 29 ILE HA . . 4.520 3.265 3.205 3.320 . 0 0 "[ . 1 . 2]" 1
284 1 28 LEU HG 1 30 PHE H . . 4.660 4.620 4.571 4.683 0.023 8 0 "[ . 1 . 2]" 1
285 1 29 ILE H 1 29 ILE HB . . 3.970 2.266 2.237 2.304 . 0 0 "[ . 1 . 2]" 1
286 1 29 ILE H 1 29 ILE MD . . 3.740 3.548 3.535 3.556 . 0 0 "[ . 1 . 2]" 1
287 1 29 ILE H 1 29 ILE QG . . 3.580 2.743 2.617 2.819 . 0 0 "[ . 1 . 2]" 1
288 1 29 ILE H 1 29 ILE MG . . 3.780 3.656 3.630 3.687 . 0 0 "[ . 1 . 2]" 1
289 1 29 ILE H 1 30 PHE H . . 2.970 2.539 2.508 2.581 . 0 0 "[ . 1 . 2]" 1
290 1 29 ILE H 1 31 ILE H . . 4.160 4.077 4.036 4.199 0.039 20 0 "[ . 1 . 2]" 1
291 1 29 ILE H 1 31 ILE QG . . 4.760 5.393 5.135 5.532 0.772 3 13 "[**+ * * ** **.**-*2]" 1
292 1 29 ILE H 1 31 ILE MG . . 5.250 6.496 6.437 6.708 1.458 20 20 [*********-*********+] 1
293 1 29 ILE HA 1 29 ILE MD . . 3.850 3.770 3.751 3.790 . 0 0 "[ . 1 . 2]" 1
294 1 29 ILE HA 1 29 ILE QG . . 3.910 2.272 2.244 2.303 . 0 0 "[ . 1 . 2]" 1
295 1 29 ILE HA 1 31 ILE H . . 4.720 4.434 4.396 4.472 . 0 0 "[ . 1 . 2]" 1
296 1 29 ILE HA 1 32 VAL H . . 4.250 3.530 3.432 3.562 . 0 0 "[ . 1 . 2]" 1
297 1 29 ILE HA 1 32 VAL HB . . 4.810 2.614 2.438 2.752 . 0 0 "[ . 1 . 2]" 1
298 1 29 ILE HA 1 33 LEU H . . 4.530 4.108 4.015 4.183 . 0 0 "[ . 1 . 2]" 1
299 1 29 ILE HB 1 29 ILE MD . . 3.350 2.191 2.166 2.362 . 0 0 "[ . 1 . 2]" 1
300 1 29 ILE HB 1 30 PHE H . . 3.920 2.902 2.840 2.964 . 0 0 "[ . 1 . 2]" 1
301 1 29 ILE HB 1 30 PHE QB . . 4.660 4.459 4.219 4.603 . 0 0 "[ . 1 . 2]" 1
302 1 29 ILE MD 1 29 ILE MG . . 2.400 2.268 1.977 2.298 . 0 0 "[ . 1 . 2]" 1
303 1 29 ILE MD 1 30 PHE H . . 4.840 4.707 4.659 4.760 . 0 0 "[ . 1 . 2]" 1
304 1 29 ILE QG 1 29 ILE MG . . 2.470 2.247 2.235 2.282 . 0 0 "[ . 1 . 2]" 1
305 1 29 ILE QG 1 30 PHE H . . 4.420 4.358 4.315 4.383 . 0 0 "[ . 1 . 2]" 1
306 1 29 ILE MG 1 30 PHE H . . 3.600 3.140 2.985 3.246 . 0 0 "[ . 1 . 2]" 1
307 1 29 ILE MG 1 30 PHE HA . . 4.540 3.125 3.032 3.203 . 0 0 "[ . 1 . 2]" 1
308 1 29 ILE MG 1 30 PHE QD . . 4.760 2.606 2.048 3.841 . 0 0 "[ . 1 . 2]" 1
309 1 29 ILE MG 1 30 PHE QE . . 5.350 3.919 3.282 5.103 . 0 0 "[ . 1 . 2]" 1
310 1 30 PHE H 1 30 PHE QB . . 3.580 2.132 2.075 2.185 . 0 0 "[ . 1 . 2]" 1
311 1 30 PHE H 1 30 PHE QD . . 4.100 3.020 2.354 3.849 . 0 0 "[ . 1 . 2]" 1
312 1 30 PHE H 1 31 ILE H . . 3.160 2.516 2.498 2.563 . 0 0 "[ . 1 . 2]" 1
313 1 30 PHE H 1 32 VAL H . . 4.580 3.929 3.859 4.026 . 0 0 "[ . 1 . 2]" 1
314 1 30 PHE HA 1 30 PHE QE . . 4.320 4.261 4.166 4.398 0.078 18 0 "[ . 1 . 2]" 1
315 1 30 PHE HA 1 32 VAL HB . . 5.500 5.477 5.281 5.526 0.026 9 0 "[ . 1 . 2]" 1
316 1 30 PHE HA 1 33 LEU H . . 4.350 3.630 3.536 3.702 . 0 0 "[ . 1 . 2]" 1
317 1 30 PHE HA 1 33 LEU QB . . 4.990 2.939 2.700 4.187 . 0 0 "[ . 1 . 2]" 1
318 1 30 PHE HA 1 33 LEU QD . . 4.500 3.132 1.881 3.445 . 0 0 "[ . 1 . 2]" 1
319 1 30 PHE HA 1 34 TYR H . . 4.900 4.237 4.060 4.298 . 0 0 "[ . 1 . 2]" 1
320 1 30 PHE QB 1 31 ILE H . . 3.600 2.726 2.667 2.773 . 0 0 "[ . 1 . 2]" 1
321 1 30 PHE QB 1 31 ILE HB . . 5.440 4.706 4.609 4.815 . 0 0 "[ . 1 . 2]" 1
322 1 30 PHE QB 1 33 LEU QD . . 5.160 4.754 3.343 4.989 . 0 0 "[ . 1 . 2]" 1
323 1 30 PHE QD 1 33 LEU QD . . 4.670 3.708 3.102 4.013 . 0 0 "[ . 1 . 2]" 1
324 1 30 PHE QD 1 33 LEU HG . . 5.500 5.442 4.632 5.529 0.029 10 0 "[ . 1 . 2]" 1
325 1 31 ILE H 1 31 ILE HB . . 3.710 2.468 2.428 2.574 . 0 0 "[ . 1 . 2]" 1
326 1 31 ILE H 1 31 ILE MD . . 3.690 3.635 2.601 3.718 0.028 7 0 "[ . 1 . 2]" 1
327 1 31 ILE H 1 31 ILE QG . . 3.830 2.296 2.175 2.362 . 0 0 "[ . 1 . 2]" 1
328 1 31 ILE H 1 31 ILE MG . . 3.670 3.759 3.749 3.775 0.105 20 0 "[ . 1 . 2]" 1
329 1 31 ILE H 1 32 VAL H . . 3.400 2.477 2.426 2.518 . 0 0 "[ . 1 . 2]" 1
330 1 31 ILE H 1 33 LEU H . . 4.010 3.944 3.878 4.133 0.123 18 0 "[ . 1 . 2]" 1
331 1 31 ILE HA 1 31 ILE MD . . 4.280 3.256 1.925 3.825 . 0 0 "[ . 1 . 2]" 1
332 1 31 ILE HA 1 33 LEU H . . 5.500 4.174 4.093 4.344 . 0 0 "[ . 1 . 2]" 1
333 1 31 ILE HA 1 34 TYR H . . 5.500 3.373 3.298 3.550 . 0 0 "[ . 1 . 2]" 1
334 1 31 ILE HA 1 34 TYR QB . . 5.210 2.744 2.543 3.204 . 0 0 "[ . 1 . 2]" 1
335 1 31 ILE HA 1 35 LYS H . . 4.820 4.238 4.146 4.292 . 0 0 "[ . 1 . 2]" 1
336 1 31 ILE HB 1 31 ILE MD . . 3.210 2.671 2.305 3.192 . 0 0 "[ . 1 . 2]" 1
337 1 31 ILE HB 1 32 VAL H . . 4.130 2.758 2.667 2.926 . 0 0 "[ . 1 . 2]" 1
338 1 31 ILE MD 1 31 ILE MG . . 2.400 1.960 1.902 2.385 . 0 0 "[ . 1 . 2]" 1
339 1 31 ILE MD 1 34 TYR QD . . 5.500 4.244 2.901 5.011 . 0 0 "[ . 1 . 2]" 1
340 1 31 ILE QG 1 31 ILE MG . . 2.400 2.350 2.064 2.442 0.042 12 0 "[ . 1 . 2]" 1
341 1 31 ILE MG 1 34 TYR QD . . 4.900 2.528 2.288 2.668 . 0 0 "[ . 1 . 2]" 1
342 1 31 ILE MG 1 34 TYR QE . . 4.970 2.884 2.284 3.266 . 0 0 "[ . 1 . 2]" 1
343 1 32 VAL H 1 32 VAL HB . . 4.040 2.333 2.247 2.391 . 0 0 "[ . 1 . 2]" 1
344 1 32 VAL H 1 32 VAL MG1 . . 3.880 3.703 3.639 3.734 . 0 0 "[ . 1 . 2]" 1
345 1 32 VAL H 1 32 VAL MG2 . . 3.150 2.496 2.354 2.766 . 0 0 "[ . 1 . 2]" 1
346 1 32 VAL H 1 33 LEU H . . 4.220 2.535 2.489 2.574 . 0 0 "[ . 1 . 2]" 1
347 1 32 VAL H 1 33 LEU HG . . 4.720 4.664 3.696 4.926 0.206 8 0 "[ . 1 . 2]" 1
348 1 32 VAL H 1 34 TYR H . . 4.350 3.995 3.865 4.277 . 0 0 "[ . 1 . 2]" 1
349 1 32 VAL HA 1 32 VAL MG1 . . 3.680 2.517 2.467 2.605 . 0 0 "[ . 1 . 2]" 1
350 1 32 VAL HA 1 32 VAL MG2 . . 3.400 2.290 2.068 2.350 . 0 0 "[ . 1 . 2]" 1
351 1 32 VAL HA 1 34 TYR H . . 4.700 4.364 4.199 4.690 . 0 0 "[ . 1 . 2]" 1
352 1 32 VAL HA 1 35 LYS H . . 4.640 3.569 3.474 3.657 . 0 0 "[ . 1 . 2]" 1
353 1 32 VAL HA 1 36 VAL H . . 5.500 4.163 3.963 4.353 . 0 0 "[ . 1 . 2]" 1
354 1 32 VAL HB 1 33 LEU H . . 5.040 2.930 2.801 3.000 . 0 0 "[ . 1 . 2]" 1
355 1 32 VAL MG1 1 33 LEU H . . 4.030 3.333 3.048 3.483 . 0 0 "[ . 1 . 2]" 1
356 1 32 VAL MG1 1 33 LEU QD . . 3.340 3.175 2.802 4.159 0.819 18 1 "[ . 1 . + 2]" 1
357 1 33 LEU H 1 33 LEU QD . . 3.810 3.354 2.878 3.478 . 0 0 "[ . 1 . 2]" 1
358 1 33 LEU H 1 33 LEU HG . . 3.540 2.789 1.839 3.057 . 0 0 "[ . 1 . 2]" 1
359 1 33 LEU H 1 34 TYR H . . 4.100 2.385 2.320 2.561 . 0 0 "[ . 1 . 2]" 1
360 1 33 LEU HA 1 33 LEU QD . . 3.560 2.101 1.949 3.385 . 0 0 "[ . 1 . 2]" 1
361 1 33 LEU HA 1 33 LEU HG . . 3.400 2.986 2.824 3.648 0.248 18 0 "[ . 1 . 2]" 1
362 1 33 LEU HA 1 35 LYS H . . 4.360 3.936 3.862 4.049 . 0 0 "[ . 1 . 2]" 1
363 1 33 LEU HA 1 36 VAL H . . 4.870 3.400 3.197 3.556 . 0 0 "[ . 1 . 2]" 1
364 1 33 LEU HA 1 36 VAL HB . . 5.020 3.731 2.347 4.872 . 0 0 "[ . 1 . 2]" 1
365 1 33 LEU HA 1 36 VAL QG . . 3.730 2.492 1.861 3.413 . 0 0 "[ . 1 . 2]" 1
366 1 33 LEU QB 1 33 LEU HG . . 2.730 2.358 2.334 2.474 . 0 0 "[ . 1 . 2]" 1
367 1 33 LEU QB 1 34 TYR H . . 4.510 2.805 2.498 3.494 . 0 0 "[ . 1 . 2]" 1
368 1 33 LEU QB 1 36 VAL H . . 5.140 4.851 4.631 5.057 . 0 0 "[ . 1 . 2]" 1
369 1 33 LEU QB 1 38 PHE QB . . 4.640 2.078 1.883 2.367 . 0 0 "[ . 1 . 2]" 1
370 1 33 LEU QB 1 39 PHE QB . . 4.960 3.278 2.719 4.148 . 0 0 "[ . 1 . 2]" 1
371 1 33 LEU QD 1 34 TYR H . . 4.770 4.117 2.497 4.276 . 0 0 "[ . 1 . 2]" 1
372 1 33 LEU QD 1 36 VAL H . . 4.980 4.704 4.524 4.914 . 0 0 "[ . 1 . 2]" 1
373 1 33 LEU QD 1 36 VAL QG . . 3.970 2.898 2.407 3.832 . 0 0 "[ . 1 . 2]" 1
374 1 33 LEU QD 1 38 PHE H . . 5.500 4.053 3.688 4.442 . 0 0 "[ . 1 . 2]" 1
375 1 33 LEU QD 1 38 PHE HB2 . . 4.340 2.312 2.027 3.397 . 0 0 "[ . 1 . 2]" 1
376 1 33 LEU QD 1 38 PHE QB . . 3.620 2.123 1.969 2.318 . 0 0 "[ . 1 . 2]" 1
377 1 33 LEU QD 1 38 PHE HB3 . . 4.340 2.588 2.216 3.021 . 0 0 "[ . 1 . 2]" 1
378 1 33 LEU QD 1 38 PHE QD . . 4.370 2.462 2.099 2.862 . 0 0 "[ . 1 . 2]" 1
379 1 33 LEU QD 1 38 PHE QE . . 4.520 3.288 2.942 3.918 . 0 0 "[ . 1 . 2]" 1
380 1 33 LEU QD 1 39 PHE QD . . 4.940 2.872 2.332 3.654 . 0 0 "[ . 1 . 2]" 1
381 1 33 LEU QD 1 39 PHE QE . . 4.570 2.322 1.994 3.025 . 0 0 "[ . 1 . 2]" 1
382 1 33 LEU HG 1 38 PHE HB2 . . 5.470 4.789 4.387 5.272 . 0 0 "[ . 1 . 2]" 1
383 1 33 LEU HG 1 38 PHE QB . . 4.730 4.275 4.081 4.383 . 0 0 "[ . 1 . 2]" 1
384 1 33 LEU HG 1 38 PHE HB3 . . 5.470 4.874 4.497 5.172 . 0 0 "[ . 1 . 2]" 1
385 1 33 LEU HG 1 39 PHE QD . . 5.500 4.791 4.351 5.005 . 0 0 "[ . 1 . 2]" 1
386 1 33 LEU HG 1 39 PHE QE . . 5.500 4.913 3.868 5.675 0.175 18 0 "[ . 1 . 2]" 1
387 1 34 TYR H 1 34 TYR QD . . 4.460 3.358 3.145 3.468 . 0 0 "[ . 1 . 2]" 1
388 1 34 TYR H 1 34 TYR QE . . 5.500 5.550 5.366 5.629 0.129 13 0 "[ . 1 . 2]" 1
389 1 34 TYR H 1 35 LYS H . . 3.870 2.394 2.301 2.519 . 0 0 "[ . 1 . 2]" 1
390 1 34 TYR H 1 36 VAL H . . 4.380 3.941 3.810 4.121 . 0 0 "[ . 1 . 2]" 1
391 1 34 TYR HA 1 36 VAL H . . 4.600 4.294 4.136 4.584 . 0 0 "[ . 1 . 2]" 1
392 1 34 TYR HA 1 39 PHE H . . 3.870 2.486 2.010 2.919 . 0 0 "[ . 1 . 2]" 1
393 1 34 TYR HA 1 39 PHE QB . . 5.030 2.401 1.974 2.972 . 0 0 "[ . 1 . 2]" 1
394 1 34 TYR HA 1 40 LYS H . . 4.400 3.026 2.290 4.334 . 0 0 "[ . 1 . 2]" 1
395 1 34 TYR QB 1 39 PHE QB . . 4.550 2.393 1.935 2.778 . 0 0 "[ . 1 . 2]" 1
396 1 34 TYR QD 1 35 LYS H . . 4.460 3.164 3.043 3.327 . 0 0 "[ . 1 . 2]" 1
397 1 34 TYR QD 1 35 LYS HA . . 5.150 3.873 3.734 4.064 . 0 0 "[ . 1 . 2]" 1
398 1 34 TYR QD 1 35 LYS QG . . 4.200 3.268 2.181 4.397 0.197 6 0 "[ . 1 . 2]" 1
399 1 34 TYR QD 1 36 VAL H . . 5.420 5.148 4.994 5.224 . 0 0 "[ . 1 . 2]" 1
400 1 34 TYR QD 1 40 LYS QD . . 3.980 3.364 2.447 3.966 . 0 0 "[ . 1 . 2]" 1
401 1 34 TYR QE 1 35 LYS H . . 4.540 4.857 4.715 4.990 0.450 13 0 "[ . 1 . 2]" 1
402 1 34 TYR QE 1 40 LYS QD . . 4.630 3.533 2.778 4.138 . 0 0 "[ . 1 . 2]" 1
403 1 35 LYS H 1 35 LYS QB . . 3.690 2.424 2.189 2.686 . 0 0 "[ . 1 . 2]" 1
404 1 35 LYS H 1 35 LYS QD . . 4.680 4.120 3.711 4.681 0.001 1 0 "[ . 1 . 2]" 1
405 1 35 LYS H 1 35 LYS QG . . 3.360 2.643 2.138 3.271 . 0 0 "[ . 1 . 2]" 1
406 1 35 LYS H 1 36 VAL H . . 4.240 2.186 2.062 2.333 . 0 0 "[ . 1 . 2]" 1
407 1 35 LYS H 1 36 VAL HA . . 5.320 4.874 4.742 5.003 . 0 0 "[ . 1 . 2]" 1
408 1 35 LYS H 1 36 VAL QG . . 4.350 3.625 3.149 4.321 . 0 0 "[ . 1 . 2]" 1
409 1 35 LYS H 1 37 GLY H . . 4.430 3.754 3.676 3.820 . 0 0 "[ . 1 . 2]" 1
410 1 35 LYS QB 1 35 LYS QD . . 3.390 2.202 2.025 2.378 . 0 0 "[ . 1 . 2]" 1
411 1 35 LYS QB 1 36 VAL H . . 3.940 3.228 2.670 3.698 . 0 0 "[ . 1 . 2]" 1
412 1 35 LYS HB2 1 36 VAL H . . 4.510 3.558 2.786 4.229 . 0 0 "[ . 1 . 2]" 1
413 1 35 LYS HB3 1 36 VAL H . . 4.510 3.778 3.322 4.093 . 0 0 "[ . 1 . 2]" 1
414 1 35 LYS QD 1 35 LYS QG . . 2.440 2.053 2.003 2.092 . 0 0 "[ . 1 . 2]" 1
415 1 35 LYS QD 1 36 VAL H . . 5.070 4.650 3.467 5.108 0.038 18 0 "[ . 1 . 2]" 1
416 1 36 VAL H 1 36 VAL QG . . 3.280 2.294 1.826 2.900 . 0 0 "[ . 1 . 2]" 1
417 1 36 VAL H 1 37 GLY H . . 3.820 2.402 2.235 2.570 . 0 0 "[ . 1 . 2]" 1
418 1 36 VAL H 1 37 GLY HA2 . . 4.960 4.764 4.602 4.923 . 0 0 "[ . 1 . 2]" 1
419 1 36 VAL H 1 38 PHE H . . 4.150 3.935 3.674 4.078 . 0 0 "[ . 1 . 2]" 1
420 1 36 VAL HA 1 37 GLY HA3 . . 4.570 4.541 4.506 4.561 . 0 0 "[ . 1 . 2]" 1
421 1 36 VAL HB 1 37 GLY H . . 5.020 3.481 2.919 3.965 . 0 0 "[ . 1 . 2]" 1
422 1 36 VAL QG 1 37 GLY H . . 4.070 2.444 1.922 3.105 . 0 0 "[ . 1 . 2]" 1
423 1 36 VAL QG 1 38 PHE H . . 4.000 2.786 1.887 4.016 0.016 2 0 "[ . 1 . 2]" 1
424 1 36 VAL QG 1 38 PHE QB . . 4.290 2.842 2.176 3.932 . 0 0 "[ . 1 . 2]" 1
425 1 37 GLY H 1 38 PHE H . . 3.890 2.116 1.953 2.244 . 0 0 "[ . 1 . 2]" 1
426 1 38 PHE H 1 38 PHE HB2 . . 4.000 2.415 2.069 3.130 . 0 0 "[ . 1 . 2]" 1
427 1 38 PHE H 1 38 PHE QB . . 3.360 2.316 2.049 2.550 . 0 0 "[ . 1 . 2]" 1
428 1 38 PHE H 1 38 PHE HB3 . . 4.000 3.192 2.685 3.601 . 0 0 "[ . 1 . 2]" 1
429 1 38 PHE H 1 38 PHE QD . . 4.250 3.590 2.332 4.273 0.023 2 0 "[ . 1 . 2]" 1
430 1 38 PHE H 1 39 PHE H . . 2.750 2.606 2.095 3.016 0.266 11 0 "[ . 1 . 2]" 1
431 1 38 PHE H 1 39 PHE HA . . 5.430 5.073 4.663 5.491 0.061 11 0 "[ . 1 . 2]" 1
432 1 38 PHE H 1 39 PHE QB . . 5.090 4.534 4.090 5.043 . 0 0 "[ . 1 . 2]" 1
433 1 38 PHE H 1 40 LYS H . . 4.100 3.174 2.543 3.763 . 0 0 "[ . 1 . 2]" 1
434 1 38 PHE HA 1 38 PHE QE . . 4.660 4.383 4.202 4.690 0.030 2 0 "[ . 1 . 2]" 1
435 1 38 PHE HA 1 40 LYS H . . 4.970 4.072 3.838 4.410 . 0 0 "[ . 1 . 2]" 1
436 1 38 PHE QB 1 39 PHE H . . 4.460 2.230 2.015 2.559 . 0 0 "[ . 1 . 2]" 1
437 1 38 PHE QB 1 40 LYS H . . 5.220 4.079 3.952 4.695 . 0 0 "[ . 1 . 2]" 1
438 1 38 PHE QD 1 39 PHE QD . . 4.450 3.385 2.084 4.071 . 0 0 "[ . 1 . 2]" 1
439 1 38 PHE QD 1 39 PHE QE . . 4.890 3.553 2.490 4.327 . 0 0 "[ . 1 . 2]" 1
440 1 39 PHE H 1 39 PHE QB . . 3.470 2.228 2.159 2.464 . 0 0 "[ . 1 . 2]" 1
441 1 39 PHE H 1 39 PHE QD . . 3.930 2.831 2.398 3.450 . 0 0 "[ . 1 . 2]" 1
442 1 39 PHE H 1 39 PHE QE . . 5.460 4.981 4.547 5.433 . 0 0 "[ . 1 . 2]" 1
443 1 39 PHE H 1 40 LYS H . . 3.520 2.479 2.252 3.148 . 0 0 "[ . 1 . 2]" 1
444 1 39 PHE H 1 40 LYS QB . . 4.550 4.112 3.919 4.912 0.362 18 0 "[ . 1 . 2]" 1
445 1 39 PHE HA 1 39 PHE QD . . 3.910 2.736 2.090 3.066 . 0 0 "[ . 1 . 2]" 1
446 1 39 PHE HA 1 39 PHE QE . . 5.060 4.426 4.218 4.564 . 0 0 "[ . 1 . 2]" 1
447 1 39 PHE QB 1 40 LYS H . . 4.010 3.391 3.041 3.896 . 0 0 "[ . 1 . 2]" 1
448 1 39 PHE HB2 1 40 LYS H . . 4.620 3.641 3.231 4.404 . 0 0 "[ . 1 . 2]" 1
449 1 39 PHE HB3 1 40 LYS H . . 4.620 4.058 3.710 4.416 . 0 0 "[ . 1 . 2]" 1
450 1 40 LYS H 1 40 LYS HB2 . . 3.710 2.383 2.149 2.511 . 0 0 "[ . 1 . 2]" 1
451 1 40 LYS H 1 40 LYS HB3 . . 3.710 2.853 2.680 3.648 . 0 0 "[ . 1 . 2]" 1
452 1 40 LYS H 1 40 LYS QD . . 4.160 4.175 4.064 4.336 0.176 18 0 "[ . 1 . 2]" 1
453 1 40 LYS H 1 40 LYS HG2 . . 5.500 4.399 2.502 4.741 . 0 0 "[ . 1 . 2]" 1
454 1 40 LYS H 1 40 LYS QG . . 4.780 3.844 2.347 4.064 . 0 0 "[ . 1 . 2]" 1
455 1 40 LYS H 1 40 LYS HG3 . . 5.500 4.272 2.840 4.593 . 0 0 "[ . 1 . 2]" 1
456 1 40 LYS H 1 41 ARG H . . 4.510 3.810 2.493 4.551 0.041 13 0 "[ . 1 . 2]" 1
457 1 40 LYS HA 1 40 LYS QD . . 2.950 2.996 1.968 3.138 0.188 19 0 "[ . 1 . 2]" 1
458 1 40 LYS HA 1 40 LYS HG2 . . 4.150 3.364 2.465 3.630 . 0 0 "[ . 1 . 2]" 1
459 1 40 LYS HA 1 40 LYS QG . . 3.630 2.321 2.155 2.625 . 0 0 "[ . 1 . 2]" 1
460 1 40 LYS HA 1 40 LYS HG3 . . 4.150 2.566 2.176 3.738 . 0 0 "[ . 1 . 2]" 1
461 1 40 LYS HA 1 41 ARG H . . 3.210 2.576 2.141 3.289 0.079 5 0 "[ . 1 . 2]" 1
462 1 40 LYS QB 1 40 LYS QD . . 2.910 2.121 2.058 2.496 . 0 0 "[ . 1 . 2]" 1
463 1 40 LYS QB 1 40 LYS QG . . 2.300 2.021 1.954 2.030 . 0 0 "[ . 1 . 2]" 1
464 1 41 ARG H 1 41 ARG QB . . 3.560 2.605 2.124 3.178 . 0 0 "[ . 1 . 2]" 1
465 1 41 ARG H 1 41 ARG QD . . 4.630 4.022 2.301 4.652 0.022 13 0 "[ . 1 . 2]" 1
466 1 41 ARG H 1 41 ARG HE . . 5.330 4.753 3.835 5.161 . 0 0 "[ . 1 . 2]" 1
467 1 41 ARG H 1 41 ARG QG . . 4.660 3.591 2.013 4.419 . 0 0 "[ . 1 . 2]" 1
468 1 41 ARG H 1 42 ASN QB . . 5.030 4.595 3.726 5.035 0.005 14 0 "[ . 1 . 2]" 1
469 1 41 ARG HA 1 41 ARG QD . . 4.400 2.476 1.997 4.487 0.087 7 0 "[ . 1 . 2]" 1
470 1 41 ARG HA 1 41 ARG HE . . 4.930 3.346 1.965 5.027 0.097 7 0 "[ . 1 . 2]" 1
471 1 41 ARG HA 1 41 ARG QG . . 2.940 2.681 2.291 3.077 0.137 7 0 "[ . 1 . 2]" 1
472 1 41 ARG HA 1 41 ARG QH1 . . 4.810 4.276 3.429 4.808 . 0 0 "[ . 1 . 2]" 1
473 1 41 ARG QB 1 41 ARG QD . . 2.930 2.449 2.095 2.849 . 0 0 "[ . 1 . 2]" 1
474 1 41 ARG QB 1 41 ARG HE . . 4.450 3.145 1.939 4.439 . 0 0 "[ . 1 . 2]" 1
475 1 41 ARG QB 1 41 ARG QG . . 2.300 2.009 1.986 2.085 . 0 0 "[ . 1 . 2]" 1
476 1 41 ARG QB 1 42 ASN H . . 4.310 3.026 1.953 3.912 . 0 0 "[ . 1 . 2]" 1
477 1 41 ARG QD 1 42 ASN H . . 5.210 4.217 2.677 5.211 0.001 1 0 "[ . 1 . 2]" 1
478 1 42 ASN H 1 42 ASN HB2 . . 4.080 2.817 2.207 3.407 . 0 0 "[ . 1 . 2]" 1
479 1 42 ASN H 1 42 ASN QB . . 3.460 2.587 2.144 2.960 . 0 0 "[ . 1 . 2]" 1
480 1 42 ASN H 1 42 ASN HB3 . . 4.080 3.205 2.496 3.878 . 0 0 "[ . 1 . 2]" 1
481 1 42 ASN HA 1 42 ASN HD21 . . 3.430 2.332 1.990 2.771 . 0 0 "[ . 1 . 2]" 1
482 1 42 ASN HA 1 42 ASN QD . . 2.940 2.296 1.979 2.689 . 0 0 "[ . 1 . 2]" 1
483 1 42 ASN HA 1 42 ASN HD22 . . 3.430 3.525 3.358 3.631 0.201 15 0 "[ . 1 . 2]" 1
484 1 42 ASN HA 1 43 LEU H . . 3.060 2.398 2.142 2.938 . 0 0 "[ . 1 . 2]" 1
485 1 42 ASN HB2 1 43 LEU H . . 4.660 4.233 3.436 4.637 . 0 0 "[ . 1 . 2]" 1
486 1 42 ASN HB3 1 43 LEU H . . 4.660 3.646 2.042 4.475 . 0 0 "[ . 1 . 2]" 1
487 1 43 LEU H 1 43 LEU HB2 . . 3.130 2.463 2.201 2.851 . 0 0 "[ . 1 . 2]" 1
488 1 43 LEU H 1 43 LEU QB . . 2.690 2.269 2.132 2.418 . 0 0 "[ . 1 . 2]" 1
489 1 43 LEU H 1 43 LEU HB3 . . 3.130 2.722 2.376 2.898 . 0 0 "[ . 1 . 2]" 1
490 1 43 LEU H 1 43 LEU QD . . 4.600 3.657 3.442 3.835 . 0 0 "[ . 1 . 2]" 1
491 1 43 LEU H 1 43 LEU HG . . 5.500 4.533 4.287 4.744 . 0 0 "[ . 1 . 2]" 1
492 1 43 LEU HA 1 43 LEU MD1 . . 4.150 2.771 1.983 3.743 . 0 0 "[ . 1 . 2]" 1
493 1 43 LEU HA 1 43 LEU MD2 . . 4.150 2.945 2.011 3.963 . 0 0 "[ . 1 . 2]" 1
494 1 43 LEU HA 1 43 LEU HG . . 3.770 3.066 2.270 3.696 . 0 0 "[ . 1 . 2]" 1
495 1 43 LEU HA 1 44 LYS H . . 3.100 2.549 2.144 3.567 0.467 2 0 "[ . 1 . 2]" 1
496 1 43 LEU QB 1 43 LEU QD . . 2.420 1.909 1.745 2.034 . 0 0 "[ . 1 . 2]" 1
497 1 43 LEU QB 1 43 LEU HG . . 2.520 2.326 2.164 2.481 . 0 0 "[ . 1 . 2]" 1
498 1 43 LEU QD 1 44 LYS H . . 3.310 2.738 1.956 3.313 0.003 15 0 "[ . 1 . 2]" 1
499 1 43 LEU QD 1 44 LYS QB . . 4.670 3.971 2.221 4.815 0.145 20 0 "[ . 1 . 2]" 1
500 1 43 LEU HG 1 44 LYS H . . 5.500 3.945 2.070 5.406 . 0 0 "[ . 1 . 2]" 1
501 1 44 LYS H 1 44 LYS HB2 . . 3.830 3.074 2.264 4.032 0.202 2 0 "[ . 1 . 2]" 1
502 1 44 LYS H 1 44 LYS QB . . 3.360 2.658 2.240 3.258 . 0 0 "[ . 1 . 2]" 1
503 1 44 LYS H 1 44 LYS HB3 . . 3.830 3.351 2.452 3.893 0.063 13 0 "[ . 1 . 2]" 1
504 1 44 LYS H 1 44 LYS QD . . 3.810 4.132 3.789 4.607 0.797 13 4 "[ - . 1* + . *]" 1
505 1 44 LYS H 1 44 LYS HG2 . . 4.170 2.969 1.961 4.153 . 0 0 "[ . 1 . 2]" 1
506 1 44 LYS H 1 44 LYS QG . . 3.660 2.364 1.949 3.114 . 0 0 "[ . 1 . 2]" 1
507 1 44 LYS H 1 44 LYS HG3 . . 4.170 2.841 1.989 3.735 . 0 0 "[ . 1 . 2]" 1
508 1 44 LYS H 1 45 GLU H . . 2.810 4.189 1.891 4.640 1.830 8 17 "[***** +**-********2]" 1
509 1 44 LYS QB 1 44 LYS QD . . 2.470 2.137 2.082 2.229 . 0 0 "[ . 1 . 2]" 1
510 1 44 LYS QB 1 45 GLU H . . 3.350 2.651 2.021 3.487 0.137 7 0 "[ . 1 . 2]" 1
511 1 44 LYS HB2 1 44 LYS QD . . 2.850 2.429 2.212 2.546 . 0 0 "[ . 1 . 2]" 1
512 1 44 LYS HB2 1 45 GLU H . . 3.960 3.268 2.083 4.165 0.205 5 0 "[ . 1 . 2]" 1
513 1 44 LYS HB3 1 44 LYS QD . . 2.850 2.387 2.213 2.538 . 0 0 "[ . 1 . 2]" 1
514 1 44 LYS HB3 1 45 GLU H . . 3.960 3.246 2.044 4.231 0.271 7 0 "[ . 1 . 2]" 1
515 1 44 LYS QD 1 44 LYS QG . . 2.310 2.072 2.027 2.092 . 0 0 "[ . 1 . 2]" 1
516 1 45 GLU H 1 45 GLU QB . . 3.650 2.683 2.186 3.380 . 0 0 "[ . 1 . 2]" 1
517 1 45 GLU HA 1 46 LYS H . . 3.490 3.304 2.816 3.570 0.080 2 0 "[ . 1 . 2]" 1
518 1 45 GLU QB 1 46 LYS H . . 4.040 3.223 2.101 3.874 . 0 0 "[ . 1 . 2]" 1
519 1 45 GLU HB2 1 46 LYS H . . 4.900 3.706 2.402 4.544 . 0 0 "[ . 1 . 2]" 1
520 1 45 GLU HB3 1 46 LYS H . . 4.900 3.709 2.116 4.486 . 0 0 "[ . 1 . 2]" 1
521 1 46 LYS H 1 46 LYS HB2 . . 3.910 3.123 2.338 3.931 0.021 13 0 "[ . 1 . 2]" 1
522 1 46 LYS H 1 46 LYS QB . . 3.410 2.645 2.224 3.192 . 0 0 "[ . 1 . 2]" 1
523 1 46 LYS H 1 46 LYS HB3 . . 3.910 3.074 2.385 3.748 . 0 0 "[ . 1 . 2]" 1
524 1 46 LYS H 1 46 LYS QD . . 5.170 4.625 3.892 5.272 0.102 12 0 "[ . 1 . 2]" 1
525 1 46 LYS H 1 46 LYS HG2 . . 4.720 3.751 2.015 4.719 . 0 0 "[ . 1 . 2]" 1
526 1 46 LYS H 1 46 LYS QG . . 4.020 3.289 1.975 4.088 0.068 20 0 "[ . 1 . 2]" 1
527 1 46 LYS H 1 46 LYS HG3 . . 4.720 3.786 2.325 4.715 . 0 0 "[ . 1 . 2]" 1
528 1 46 LYS H 1 47 MET H . . 4.680 3.402 2.346 4.374 . 0 0 "[ . 1 . 2]" 1
529 1 46 LYS HA 1 46 LYS QG . . 3.720 2.738 2.186 3.343 . 0 0 "[ . 1 . 2]" 1
530 1 46 LYS QB 1 46 LYS QD . . 2.350 2.211 2.057 2.319 . 0 0 "[ . 1 . 2]" 1
531 1 46 LYS QB 1 46 LYS QE . . 3.060 2.245 1.980 2.939 . 0 0 "[ . 1 . 2]" 1
532 1 46 LYS QB 1 46 LYS QG . . 2.350 2.082 2.065 2.087 . 0 0 "[ . 1 . 2]" 1
533 1 47 MET HA 1 47 MET QB . . 2.550 2.387 2.179 2.489 . 0 0 "[ . 1 . 2]" 1
534 1 47 MET QG 1 48 GLU H . . 5.340 3.663 1.940 4.562 . 0 0 "[ . 1 . 2]" 1
535 1 48 GLU H 1 48 GLU QB . . 3.410 2.709 2.223 3.369 . 0 0 "[ . 1 . 2]" 1
536 1 48 GLU H 1 49 ALA H . . 3.720 2.913 2.017 3.527 . 0 0 "[ . 1 . 2]" 1
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